A0A096MZJ8_PAPAN Loading...

Phosphate regulating endopeptidase X-linked

AlphaFold DB , UniProt , Accession A0A096MZJ8, Species PAPAN (Papio anubis, Olive baboon), Gene PHEX, Length 749 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	37.2	Very low	38	Very low	225 Å²	225	142.4 Å²	142.4	100%	1.108	84%	0.835	S	S	*	*				0	80.3	0	-73.7	168.9	63	0	0	105.6
2	E	37.7	Very low	38.1	Very low	189 Å²	189	136.4 Å²	136.4	88%	0.883	83%	0.827	S	S	*	*				81.8	131	100	-80.1	178.6	164.6	0	0	110
3	A	36.3	Very low	39	Very low	81 Å²	81	142.2 Å²	142.2	67%	0.669	83%	0.834	S	S	*	*			cis	-165.7	156.8	-14	0	0	0	0	0	106
4	E	39.9	Very low	39.7	Very low	177 Å²	177	147.1 Å²	147.1	83%	0.827	84%	0.84	S	S	*	*			trans	33.1	149	136.7	-64.2	-174.1	161.2	0	0	120.8
5	T	37.9	Very low	40.6	Very low	128 Å²	128	141.9 Å²	141.9	79%	0.785	82%	0.821	S	S	*	*			cis	-176.1	161.6	6.7	25	0	0	0	0	106.7
6	G	35.2	Very low	42	Very low	78 Å²	78	140.3 Å²	140.3	80%	0.804	81%	0.809	S	S	*	*			trans	-86.7	-176.4	-174.8	0	0	0	0	0	118.1
7	S	31.4	Very low	43.5	Very low	112 Å²	112	144.2 Å²	144.2	78%	0.783	81%	0.808	S	S	*	*			trans	159.8	120.1	144	88.1	0	0	0	0	108.7
8	S	34.9	Very low	44.8	Very low	102 Å²	102	138.6 Å²	138.6	71%	0.713	79%	0.787	S	S	*	*				77.4	109.9	93.8	78.4	0	0	0	0	116.6
9	V	44.5	Very low	46.2	Very low	135 Å²	135	135.9 Å²	135.9	82%	0.818	77%	0.774	S	S	*	*			trans	41.6	118.1	137.4	-172.5	0	0	0	0	119.6
10	E	36.2	Very low	47.6	Very low	194 Å²	194	138.3 Å²	138.3	91%	0.907	77%	0.77	S	S	*	*				-166.8	119.1	127.9	-114.3	-178.9	176.9	0	0	112.9	G12	E10-G12 PolarHBondContact O-N 3.15Å
11	T	47.3	Very low	49	Very low	145 Å²	145	136.5 Å²	136.5	89%	0.89	76%	0.758	S	S	*	*			trans	-79.6	97.5	171.2	43.2	0	0	0	0	110.5
12	G	38.6	Very low	51	Low	71 Å²	71	128.7 Å²	128.7	73%	0.732	73%	0.729	S	S	*	*			trans	-103.9	107.2	176.3	0	0	0	0	0	113.5	E10 K14	E10-G12 PolarHBondContact O-N 3.15Å; G12-K14 PolarHBondContact O-N 3.18Å
13	K	49.8	Very low	53	Low	211 Å²	211	125.1 Å²	125.1	92%	0.917	72%	0.716	S	S	*	*			trans	-57.4	110.3	170.9	-76.7	172.7	174.3	172.7	0	111.5	A15	K13-A15 PolarHBondContact O-N 3.17Å; K13-A15 VanDerWaalsContact O-N 3.1Å
14	K	49.2	Very low	55.2	Low	212 Å²	212	126.3 Å²	126.3	92%	0.922	71%	0.714	S	S	*	*			trans	-76.8	89	163.9	-81.6	-177	178.4	175.6	0	109.9	G12 N16	G12-K14 PolarHBondContact O-N 3.18Å; K14-N16 PolarHBondContact O-N 3.48Å
15	A	52.7	Low	57.3	Low	68 Å²	68	122.7 Å²	122.7	56%	0.562	70%	0.704	S	S	*	*			trans	-69.1	126	167.9	0	0	0	0	0	110.2	K13 R17	K13-A15 PolarHBondContact O-N 3.17Å; K13-A15 VanDerWaalsContact O-N 3.1Å; A15-R17 PolarHBondContact O-N 3.45Å
16	N	64	Low	59.6	Low	117 Å²	117	123.3 Å²	123.3	63%	0.626	70%	0.696	S	S	*	*			trans	-58.1	121.4	-173.6	-161.2	-3.4	0	0	0	111.5	K14 G18 T19	K14-N16 PolarHBondContact O-N 3.48Å; N16-G18 PolarHBondContact O-N 3.2Å; N16-G18 VanDerWaalsContact O-N 3.08Å; N16-T19 PolarHBondContact O-N 2.78Å; N16-T19 PolarHBondContact O-OG1 3.31Å
17	R	66.3	Low	62	Low	207 Å²	207	122.9 Å²	122.9	78%	0.781	68%	0.678	S	S	*	*	H	α-helix	trans	-56.3	-28.8	-178.1	-172.3	175.5	171	-179.3	-2.4	112.3	A15 I21	A15-R17 PolarHBondContact O-N 3.45Å; R17-I21 HydrophobicContact CG-CD1 4.43Å; R17-I21 WeakPolarHBondContact O-CG1 3.3Å; R17-I21 PolarHBondContact O-N 3.22Å
18	G	68.3	Low	64.6	Low	43 Å²	43	119.1 Å²	119.1	44%	0.443	66%	0.657	S	S	.	*	H	α-helix	trans	-66	-39	175.1	0	0	0	0	0	114.4	N16 I21 A22	N16-G18 PolarHBondContact O-N 3.2Å; N16-G18 VanDerWaalsContact O-N 3.08Å; G18-I21 PolarHBondContact O-N 2.66Å; G18-A22 WeakPolarHBondContact O-CB 3.41Å; G18-A22 PolarHBondContact O-N 2.96Å
19	T	71.3	Confident	67	Low	88 Å²	88	116.2 Å²	116.2	54%	0.54	64%	0.643	S	S	.	*	H	α-helix	trans	-70.9	-32.2	178	29.8	0	0	0	0	112.2	N16 L23	N16-T19 PolarHBondContact O-N 2.78Å; N16-T19 PolarHBondContact O-OG1 3.31Å; T19-L23 VanDerWaalsContact O-CB 3.26Å; T19-L23 WeakPolarHBondContact O-CB 3.23Å; T19-L23 PolarHBondContact O-N 3.37Å
20	R	73.4	Confident	69	Low	182 Å²	182	113 Å²	113	69%	0.687	62%	0.623	S	S	*	*	H	α-helix	trans	-65.4	-42.7	173	-80.6	-174.6	174.9	-179.4	-1	112.3	L23 V24	R20-L23 PolarHBondContact O-N 3.44Å; R20-V24 WeakPolarHBondContact O-CB 3.48Å; R20-V24 VanDerWaalsContact O-CG2 3.24Å; R20-V24 WeakPolarHBondContact O-CG2 3.45Å; R20-V24 PolarHBondContact O-N 2.76Å
21	I	77.9	Confident	71.6	Confident	102 Å²	102	109.1 Å²	109.1	52%	0.523	61%	0.608	S	S	.	*	H	α-helix	trans	-65.9	-45.4	177.5	-65.2	168.5	0	0	0	110.3	R17 G18 L23 V24 V25	R17-I21 HydrophobicContact CG-CD1 4.43Å; R17-I21 WeakPolarHBondContact O-CG1 3.3Å; R17-I21 PolarHBondContact O-N 3.22Å; G18-I21 PolarHBondContact O-N 2.66Å; I21-L23 VanDerWaalsContact C-N 3.32Å; I21-L23 PolarHBondContact O-N 3.14Å; I21-V24 PolarHBondContact O-N 3.45Å; I21-V25 HydrophobicContact CG2-CG2 4.45Å; I21-V25 WeakPolarHBondContact O-CG2 3.41Å; I21-V25 PolarHBondContact O-N 3.25Å
22	A	77.9	Confident	73.5	Confident	61 Å²	61	106.4 Å²	106.4	50%	0.504	59%	0.591	S	S	.	*	H	α-helix	trans	-60.8	-40.7	176.9	0	0	0	0	0	112.3	G18 V25 F26	G18-A22 WeakPolarHBondContact O-CB 3.41Å; G18-A22 PolarHBondContact O-N 2.96Å; A22-V25 PolarHBondContact O-N 3.24Å; A22-F26 VanDerWaalsContact O-CB 3.28Å; A22-F26 WeakPolarHBondContact O-CB 3.4Å; A22-F26 PolarHBondContact O-N 2.88Å
23	L	80.6	Confident	75.7	Confident	114 Å²	114	108.4 Å²	108.4	60%	0.597	59%	0.585	S	S	*	*	H	α-helix	trans	-66.4	-41.4	176.9	-158.5	86.6	0	0	0	111.6	T19 R20 I21 F26 V27	T19-L23 VanDerWaalsContact O-CB 3.26Å; T19-L23 WeakPolarHBondContact O-CB 3.23Å; T19-L23 PolarHBondContact O-N 3.37Å; R20-L23 PolarHBondContact O-N 3.44Å; I21-L23 VanDerWaalsContact C-N 3.32Å; I21-L23 PolarHBondContact O-N 3.14Å; L23-F26 PolarHBondContact O-N 3.37Å; L23-V27 HydrophobicContact CG-CG2 4.4Å; L23-V27 VanDerWaalsContact O-CB 3.29Å; L23-V27 WeakPolarHBondContact O-CB 3.22Å; L23-V27 WeakPolarHBondContact O-CG2 3.41Å; L23-V27 PolarHBondContact O-N 3.25Å
24	V	82.9	Confident	77.6	Confident	105 Å²	105	100.1 Å²	100.1	64%	0.636	56%	0.559	S	S	*	*	H	α-helix	trans	-65.3	-40.5	177.2	170	0	0	0	0	111.2	R20 I21 G28	R20-V24 WeakPolarHBondContact O-CB 3.48Å; R20-V24 VanDerWaalsContact O-CG2 3.24Å; R20-V24 WeakPolarHBondContact O-CG2 3.45Å; R20-V24 PolarHBondContact O-N 2.76Å; I21-V24 PolarHBondContact O-N 3.45Å; V24-G28 PolarHBondContact O-N 3Å
25	V	83.9	Confident	79.4	Confident	102 Å²	102	93.3 Å²	93.3	62%	0.618	54%	0.535	S	S	*	.	H	α-helix	trans	-67.3	-41.5	175.3	173.4	0	0	0	0	111.2	I21 A22 G29	I21-V25 HydrophobicContact CG2-CG2 4.45Å; I21-V25 WeakPolarHBondContact O-CG2 3.41Å; I21-V25 PolarHBondContact O-N 3.25Å; A22-V25 PolarHBondContact O-N 3.24Å; V25-G29 PolarHBondContact O-N 3.29Å
26	F	84.9	Confident	80.8	Confident	140 Å²	140	93.4 Å²	93.4	61%	0.614	53%	0.526	S	S	*	.	H	α-helix	trans	-66.2	-45.6	177.7	-177.5	-97.6	0	0	0	112.1	A22 L23 G29 T30	A22-F26 VanDerWaalsContact O-CB 3.28Å; A22-F26 WeakPolarHBondContact O-CB 3.4Å; A22-F26 PolarHBondContact O-N 2.88Å; L23-F26 PolarHBondContact O-N 3.37Å; F26-G29 PolarHBondContact O-N 3.07Å; F26-T30 HydrophobicContact CD1-CG2 4.47Å; F26-T30 HydrophobicContact CE1-CG2 4.1Å; F26-T30 HydrophobicContact CE2-CG2 4.35Å; F26-T30 HydrophobicContact CZ-CG2 4.03Å; F26-T30 WeakPolarHBondContact O-CB 3.18Å; F26-T30 WeakPolarHBondContact O-CG2 3.38Å; F26-T30 PolarHBondContact O-N 3.11Å; F26-T30 PolarHBondContact O-OG1 3.45Å
27	V	85.8	Confident	81.8	Confident	69 Å²	69	93.1 Å²	93.1	42%	0.418	52%	0.523	S	S	.	.	H	α-helix	trans	-67.3	-42.3	177.4	172	0	0	0	0	110.8	L23 T30 L31	L23-V27 HydrophobicContact CG-CG2 4.4Å; L23-V27 VanDerWaalsContact O-CB 3.29Å; L23-V27 WeakPolarHBondContact O-CB 3.22Å; L23-V27 WeakPolarHBondContact O-CG2 3.41Å; L23-V27 PolarHBondContact O-N 3.25Å; V27-T30 WeakPolarHBondContact CA-OG1 3.35Å; V27-T30 PolarHBondContact O-N 2.88Å; V27-T30 PolarHBondContact O-OG1 2.75Å; V27-T30 VanDerWaalsContact O-OG1 3.04Å; V27-L31 HydrophobicContact CG1-CD1 3.97Å; V27-L31 WeakPolarHBondContact O-CB 3.34Å; V27-L31 PolarHBondContact O-N 2.84Å
28	G	86	Confident	82.7	Confident	34 Å²	34	89 Å²	89	35%	0.351	51%	0.512	S	S	.	.	H	α-helix	trans	-62.3	-45.3	174.2	0	0	0	0	0	112.3	V24 L31 V32	V24-G28 PolarHBondContact O-N 3Å; G28-L31 PolarHBondContact O-N 3.4Å; G28-V32 VanDerWaalsContact O-CG2 3.3Å; G28-V32 WeakPolarHBondContact O-CG2 3.31Å; G28-V32 PolarHBondContact O-N 2.87Å
29	G	85.3	Confident	83.4	Confident	40 Å²	40	89.3 Å²	89.3	41%	0.412	50%	0.503	S	S	.	.	H	α-helix	trans	-63.9	-42	177.4	0	0	0	0	0	113	V25 F26 V32 L33	V25-G29 PolarHBondContact O-N 3.29Å; F26-G29 PolarHBondContact O-N 3.07Å; G29-V32 PolarHBondContact O-N 2.62Å; G29-L33 WeakPolarHBondContact O-CB 3.21Å; G29-L33 PolarHBondContact O-N 2.85Å
30	T	87.4	Confident	83.8	Confident	67 Å²	67	87.6 Å²	87.6	41%	0.411	49%	0.492	S	S	.	.	H	α-helix	trans	-69.9	-36.1	177.4	44.4	0	0	0	0	112.7	F26 V27 L33 G34	F26-T30 HydrophobicContact CD1-CG2 4.47Å; F26-T30 HydrophobicContact CE1-CG2 4.1Å; F26-T30 HydrophobicContact CE2-CG2 4.35Å; F26-T30 HydrophobicContact CZ-CG2 4.03Å; F26-T30 WeakPolarHBondContact O-CB 3.18Å; F26-T30 WeakPolarHBondContact O-CG2 3.38Å; F26-T30 PolarHBondContact O-N 3.11Å; F26-T30 PolarHBondContact O-OG1 3.45Å; V27-T30 WeakPolarHBondContact CA-OG1 3.35Å; V27-T30 PolarHBondContact O-N 2.88Å; V27-T30 PolarHBondContact O-OG1 2.75Å; V27-T30 VanDerWaalsContact O-OG1 3.04Å; T30-L33 PolarHBondContact O-N 3.14Å; T30-G34 PolarHBondContact O-N 3.41Å
31	L	89.3	Confident	84.1	Confident	113 Å²	113	82.9 Å²	82.9	59%	0.592	49%	0.487	S	S	*	.	H	α-helix	trans	-62.5	-45.4	171.2	-97.8	152.9	0	0	0	111.7	V27 G28 G34 T35	V27-L31 HydrophobicContact CG1-CD1 3.97Å; V27-L31 WeakPolarHBondContact O-CB 3.34Å; V27-L31 PolarHBondContact O-N 2.84Å; G28-L31 PolarHBondContact O-N 3.4Å; L31-G34 PolarHBondContact O-N 3.12Å; L31-T35 WeakPolarHBondContact O-CB 3.49Å; L31-T35 PolarHBondContact O-N 3.16Å; L31-T35 PolarHBondContact O-OG1 3.23Å
32	V	88.1	Confident	84.2	Confident	88 Å²	88	83.6 Å²	83.6	53%	0.533	49%	0.488	S	S	.	.	H	α-helix	trans	-62.2	-47.1	176.8	170.9	0	0	0	0	110.7	G28 G29 G34 T35 I36	G28-V32 VanDerWaalsContact O-CG2 3.3Å; G28-V32 WeakPolarHBondContact O-CG2 3.31Å; G28-V32 PolarHBondContact O-N 2.87Å; G29-V32 PolarHBondContact O-N 2.62Å; V32-G34 PolarHBondContact O-N 2.91Å; V32-T35 PolarHBondContact O-N 3.4Å; V32-I36 HydrophobicContact CG1-CD1 3.84Å; V32-I36 VanDerWaalsContact O-CG1 3.31Å; V32-I36 WeakPolarHBondContact O-CG1 3.5Å; V32-I36 PolarHBondContact O-N 3.22Å
33	L	85.5	Confident	83.6	Confident	114 Å²	114	83.8 Å²	83.8	60%	0.597	50%	0.496	S	S	*	.	H	α-helix	trans	-63.2	-43.5	179.1	-149.9	87.4	0	0	0	111.8	G29 T30 T35 I36 L37	G29-L33 WeakPolarHBondContact O-CB 3.21Å; G29-L33 PolarHBondContact O-N 2.85Å; T30-L33 PolarHBondContact O-N 3.14Å; L33-T35 VanDerWaalsContact C-N 3.33Å; L33-T35 PolarHBondContact O-N 2.87Å; L33-I36 PolarHBondContact O-N 3.47Å; L33-L37 HydrophobicContact CD2-CD1 4.49Å; L33-L37 WeakPolarHBondContact O-CB 3.43Å; L33-L37 WeakPolarHBondContact O-CG 3.14Å; L33-L37 PolarHBondContact O-N 3.44Å
34	G	88.9	Confident	83.2	Confident	36 Å²	36	84.6 Å²	84.6	37%	0.371	50%	0.501	S	S	.	.	H	α-helix	trans	-63.3	-38.2	176.3	0	0	0	0	0	112.5	T30 L31 V32 F38	T30-G34 PolarHBondContact O-N 3.41Å; L31-G34 PolarHBondContact O-N 3.12Å; V32-G34 PolarHBondContact O-N 2.91Å; G34-F38 VanDerWaalsContact O-CB 3.25Å; G34-F38 WeakPolarHBondContact O-CB 3.4Å; G34-F38 PolarHBondContact O-N 3.48Å
35	T	86.6	Confident	82.1	Confident	69 Å²	69	83.1 Å²	83.1	42%	0.423	49%	0.489	S	S	.	.	H	α-helix	trans	-68.2	-42.6	176.2	-49.9	0	0	0	0	111	L31 V32 L33 F38 L39	L31-T35 WeakPolarHBondContact O-CB 3.49Å; L31-T35 PolarHBondContact O-N 3.16Å; L31-T35 PolarHBondContact O-OG1 3.23Å; V32-T35 PolarHBondContact O-N 3.4Å; L33-T35 VanDerWaalsContact C-N 3.33Å; L33-T35 PolarHBondContact O-N 2.87Å; T35-F38 PolarHBondContact O-N 3.1Å; T35-L39 HydrophobicContact CG2-CD1 3.98Å; T35-L39 HydrophobicContact CG2-CG 4.43Å; T35-L39 WeakPolarHBondContact O-CB 3.46Å; T35-L39 WeakPolarHBondContact O-CG 3.45Å; T35-L39 PolarHBondContact O-N 3.04Å
36	I	82.8	Confident	80.8	Confident	71 Å²	71	82.7 Å²	82.7	36%	0.364	49%	0.49	S	S	.	.	H	α-helix	trans	-62	-47.9	175.2	-68.6	167.1	0	0	0	110.4	V32 L33 F38 L39 V40	V32-I36 HydrophobicContact CG1-CD1 3.84Å; V32-I36 VanDerWaalsContact O-CG1 3.31Å; V32-I36 WeakPolarHBondContact O-CG1 3.5Å; V32-I36 PolarHBondContact O-N 3.22Å; L33-I36 PolarHBondContact O-N 3.47Å; I36-F38 VanDerWaalsContact C-N 3.33Å; I36-F38 PolarHBondContact O-N 3.48Å; I36-L39 PolarHBondContact O-N 3.33Å; I36-V40 HydrophobicContact CG2-CG2 4.39Å; I36-V40 WeakPolarHBondContact O-CB 3.4Å; I36-V40 VanDerWaalsContact O-CG2 3.22Å; I36-V40 WeakPolarHBondContact O-CG2 3.49Å; I36-V40 PolarHBondContact O-N 3.33Å
37	L	83.8	Confident	79.4	Confident	110 Å²	110	82.5 Å²	82.5	58%	0.576	50%	0.495	S	S	*	.	H	α-helix	trans	-61.6	-40.9	177.7	-75.8	166.6	0	0	0	112.2	L33 V40 S41	L33-L37 HydrophobicContact CD2-CD1 4.49Å; L33-L37 WeakPolarHBondContact O-CB 3.43Å; L33-L37 WeakPolarHBondContact O-CG 3.14Å; L33-L37 PolarHBondContact O-N 3.44Å; L37-V40 PolarHBondContact O-N 2.97Å; L37-S41 WeakPolarHBondContact O-CB 3.34Å; L37-S41 PolarHBondContact O-N 3.2Å
38	F	85.7	Confident	77.7	Confident	122 Å²	122	87 Å²	87	54%	0.535	51%	0.511	S	S	.	.	H	α-helix	trans	-62.5	-48.1	175	-179.8	-102.4	0	0	0	111.2	G34 T35 I36 V40 S41 Q42	G34-F38 VanDerWaalsContact O-CB 3.25Å; G34-F38 WeakPolarHBondContact O-CB 3.4Å; G34-F38 PolarHBondContact O-N 3.48Å; T35-F38 PolarHBondContact O-N 3.1Å; I36-F38 VanDerWaalsContact C-N 3.33Å; I36-F38 PolarHBondContact O-N 3.48Å; F38-V40 VanDerWaalsContact C-N 3.31Å; F38-V40 PolarHBondContact O-N 3.46Å; F38-S41 PolarHBondContact O-N 3.12Å; F38-S41 VanDerWaalsContact O-N 3.12Å; F38-S41 PolarHBondContact O-OG 3.22Å; F38-Q42 HydrophobicContact CD1-CG 4.28Å; F38-Q42 HydrophobicContact CD2-CG 4.37Å; F38-Q42 HydrophobicContact CE1-CG 3.92Å; F38-Q42 HydrophobicContact CE2-CG 4Å; F38-Q42 HydrophobicContact CZ-CG 3.77Å; F38-Q42 WeakPolarHBondContact O-CG 3.41Å; F38-Q42 PolarHBondContact O-N 3.02Å
39	L	83.9	Confident	76.4	Confident	49 Å²	49	90 Å²	90	26%	0.257	53%	0.532	S	S	.	.	H	α-helix	trans	-64.1	-34.4	178.2	-68.2	168.6	0	0	0	112.7	T35 I36 G43 L44 L45	T35-L39 HydrophobicContact CG2-CD1 3.98Å; T35-L39 HydrophobicContact CG2-CG 4.43Å; T35-L39 WeakPolarHBondContact O-CB 3.46Å; T35-L39 WeakPolarHBondContact O-CG 3.45Å; T35-L39 PolarHBondContact O-N 3.04Å; I36-L39 PolarHBondContact O-N 3.33Å; L39-G43 PolarHBondContact O-N 3.36Å; L39-L44 HydrophobicContact CB-CB 4.44Å; L39-L44 HydrophobicContact CD2-CB 4Å; L39-L44 HydrophobicContact CD2-CD1 3.9Å; L39-L44 PolarHBondContact O-N 2.88Å; L39-L45 HydrophobicContact CB-CB 4.05Å; L39-L45 HydrophobicContact CB-CD1 3.45Å; L39-L45 VanDerWaalsContact CB-CD1 3.45Å; L39-L45 HydrophobicContact CB-CG 4.36Å; L39-L45 HydrophobicContact CD1-CD1 3.41Å; L39-L45 VanDerWaalsContact CD1-CD1 3.41Å; L39-L45 HydrophobicContact CG-CD1 4Å; L39-L45 PolarHBondContact O-N 2.76Å; L39-L45 VanDerWaalsContact O-N 3.09Å
40	V	79.5	Confident	75.2	Confident	52 Å²	52	97.9 Å²	97.9	32%	0.315	56%	0.555	S	S	.	*	H	α-helix	trans	-66.7	-43.4	171.5	172.6	0	0	0	0	111	I36 L37 F38 Q42 G43 L45 L47	I36-V40 HydrophobicContact CG2-CG2 4.39Å; I36-V40 WeakPolarHBondContact O-CB 3.4Å; I36-V40 VanDerWaalsContact O-CG2 3.22Å; I36-V40 WeakPolarHBondContact O-CG2 3.49Å; I36-V40 PolarHBondContact O-N 3.33Å; L37-V40 PolarHBondContact O-N 2.97Å; F38-V40 VanDerWaalsContact C-N 3.31Å; F38-V40 PolarHBondContact O-N 3.46Å; V40-Q42 VanDerWaalsContact C-N 3.31Å; V40-Q42 PolarHBondContact O-N 3.47Å; V40-G43 PolarHBondContact O-N 3.14Å; V40-G43 VanDerWaalsContact O-N 3.14Å; V40-L45 WeakPolarHBondContact CA-O 3.46Å; V40-L45 HydrophobicContact CG2-CB 4.04Å; V40-L47 HydrophobicContact CG1-CD1 4.49Å; V40-L47 HydrophobicContact CG2-CD1 3.63Å; V40-L47 HydrophobicContact CG2-CG 4.07Å
41	S	79.7	Confident	74.5	Confident	83 Å²	83	100.4 Å²	100.4	58%	0.58	56%	0.562	S	S	*	*	H	α-helix	trans	-65.7	-30.7	178.6	77.2	0	0	0	0	113.7	L37 F38 G43	L37-S41 WeakPolarHBondContact O-CB 3.34Å; L37-S41 PolarHBondContact O-N 3.2Å; F38-S41 PolarHBondContact O-N 3.12Å; F38-S41 VanDerWaalsContact O-N 3.12Å; F38-S41 PolarHBondContact O-OG 3.22Å; S41-G43 VanDerWaalsContact C-N 3.3Å
42	Q	80.7	Confident	74.5	Confident	116 Å²	116	101.1 Å²	101.1	54%	0.542	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.6	1.5	177	-63.2	-61	-54.7	0	0	112.7	F38 V40 L44	F38-Q42 HydrophobicContact CD1-CG 4.28Å; F38-Q42 HydrophobicContact CD2-CG 4.37Å; F38-Q42 HydrophobicContact CE1-CG 3.92Å; F38-Q42 HydrophobicContact CE2-CG 4Å; F38-Q42 HydrophobicContact CZ-CG 3.77Å; F38-Q42 WeakPolarHBondContact O-CG 3.41Å; F38-Q42 PolarHBondContact O-N 3.02Å; V40-Q42 VanDerWaalsContact C-N 3.31Å; V40-Q42 PolarHBondContact O-N 3.47Å; Q42-L44 HydrophobicContact CB-CD1 4.01Å; Q42-L44 HydrophobicContact CB-CG 4.36Å; Q42-L44 PolarHBondContact O-N 2.88Å
43	G	65	Low	74.8	Confident	66 Å²	66	102 Å²	102	68%	0.68	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.2	10.4	-178.2	0	0	0	0	0	114.9	L39 V40 S41	L39-G43 PolarHBondContact O-N 3.36Å; V40-G43 PolarHBondContact O-N 3.14Å; V40-G43 VanDerWaalsContact O-N 3.14Å; S41-G43 VanDerWaalsContact C-N 3.3Å
44	L	72.1	Confident	75.3	Confident	131 Å²	131	97.5 Å²	97.5	69%	0.686	54%	0.535	S	S	*	.	S	Bend	trans	-81.7	-20.2	179.4	-74.1	162	0	0	0	112.6	L39 Q42	L39-L44 HydrophobicContact CB-CB 4.44Å; L39-L44 HydrophobicContact CD2-CB 4Å; L39-L44 HydrophobicContact CD2-CD1 3.9Å; L39-L44 PolarHBondContact O-N 2.88Å; Q42-L44 HydrophobicContact CB-CD1 4.01Å; Q42-L44 HydrophobicContact CB-CG 4.36Å; Q42-L44 PolarHBondContact O-N 2.88Å
45	L	58.8	Low	75.5	Confident	74 Å²	74	102 Å²	102	39%	0.387	55%	0.55	S	S	.	.	S	Bend	trans	-127.3	115.3	172.8	-105.7	127.2	0	0	0	110.1	L39 V40	L39-L45 HydrophobicContact CB-CB 4.05Å; L39-L45 HydrophobicContact CB-CD1 3.45Å; L39-L45 VanDerWaalsContact CB-CD1 3.45Å; L39-L45 HydrophobicContact CB-CG 4.36Å; L39-L45 HydrophobicContact CD1-CD1 3.41Å; L39-L45 VanDerWaalsContact CD1-CD1 3.41Å; L39-L45 HydrophobicContact CG-CD1 4Å; L39-L45 PolarHBondContact O-N 2.76Å; L39-L45 VanDerWaalsContact O-N 3.09Å; V40-L45 WeakPolarHBondContact CA-O 3.46Å; V40-L45 HydrophobicContact CG2-CB 4.04Å
46	S	56.6	Low	76	Confident	92 Å²	92	103.8 Å²	103.8	64%	0.643	55%	0.552	S	S	*	*			trans	-90.7	115.7	170.1	175.5	0	0	0	0	109.9	Q48	S46-Q48 VanDerWaalsContact C-N 3.3Å; S46-Q48 PolarHBondContact OG-N 3.45Å; S46-Q48 PolarHBondContact OG-O 2.88Å
47	L	55.2	Low	76.6	Confident	137 Å²	137	104.9 Å²	104.9	72%	0.717	56%	0.563	S	S	*	*			trans	-83.7	-4.1	168.8	-77.5	163.9	0	0	0	112.8	V40	V40-L47 HydrophobicContact CG1-CD1 4.49Å; V40-L47 HydrophobicContact CG2-CD1 3.63Å; V40-L47 HydrophobicContact CG2-CG 4.07Å
48	Q	52	Low	77.2	Confident	164 Å²	164	102.3 Å²	102.3	77%	0.766	55%	0.548	S	S	*	.	S	Bend	trans	-79.4	123	168.9	-87.4	172.9	-29.1	0	0	109.2	S46 K50	S46-Q48 VanDerWaalsContact C-N 3.3Å; S46-Q48 PolarHBondContact OG-N 3.45Å; S46-Q48 PolarHBondContact OG-O 2.88Å; Q48-K50 PolarHBondContact O-N 3.1Å
49	A	56.8	Low	77.7	Confident	95 Å²	95	96.6 Å²	96.6	79%	0.785	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-50.7	126.3	164.7	0	0	0	0	0	108.1	Q51	A49-Q51 PolarHBondContact O-N 3.31Å
50	K	60.4	Low	78.3	Confident	206 Å²	206	98.6 Å²	98.6	90%	0.896	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-58	117	-179.7	-161.6	177	-174.5	-178.9	0	107.8	Q48 E52	Q48-K50 PolarHBondContact O-N 3.1Å; K50-E52 PolarHBondContact O-N 3.45Å; K50-E52 VanDerWaalsContact O-N 3.14Å
51	Q	73.6	Confident	79.1	Confident	121 Å²	121	100.5 Å²	100.5	57%	0.565	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-62.8	117.3	-176.2	-163.6	152.1	25	0	0	109.1	A49 Y53 L672	A49-Q51 PolarHBondContact O-N 3.31Å; Q51-Y53 HydrophobicContact CB-CE2 4.09Å; Q51-Y53 HydrophobicContact CG-CE2 4.17Å; Q51-Y53 VanDerWaalsContact O-CD2 3.31Å; Q51-Y53 WeakPolarHBondContact O-CD2 3.32Å; Q51-L672 HydrophobicContact CG-CD1 3.76Å; Q51-L672 HydrophobicContact CG-CG 4.48Å
52	E	90.1	Very high	79.9	Confident	127 Å²	127	96.5 Å²	96.5	59%	0.593	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-84.8	128.2	-175.9	-165.1	-177.4	172.8	0	0	109.8	K50 P671 L672	K50-E52 PolarHBondContact O-N 3.45Å; K50-E52 VanDerWaalsContact O-N 3.14Å; E52-P671 HydrophobicContact CB-CB 4.42Å; E52-P671 HydrophobicContact CG-CB 4.13Å; E52-P671 HydrophobicContact CG-CG 4.28Å; E52-P671 CarbonylContact O-C 3.13Å; E52-P671 WeakPolarHBondContact O-CA 3.49Å; E52-L672 PolarHBondContact O-N 2.64Å
53	Y	93.8	Very high	80.6	Confident	107 Å²	107	91.3 Å²	91.3	42%	0.42	49%	0.489	S	S	.	.	B	Isolated β-bridge	trans	-114	139.3	178.8	-67.4	-87	0	0	0	110.7	Q51 L55 L672	Q51-Y53 HydrophobicContact CB-CE2 4.09Å; Q51-Y53 HydrophobicContact CG-CE2 4.17Å; Q51-Y53 VanDerWaalsContact O-CD2 3.31Å; Q51-Y53 WeakPolarHBondContact O-CD2 3.32Å; Y53-L55 PolarHBondContact O-N 3.49Å; Y53-L672 CarbonylContact C-O 3.41Å; Y53-L672 WeakPolarHBondContact CA-O 3.34Å; Y53-L672 HydrophobicContact CD1-CB 3.92Å; Y53-L672 HydrophobicContact CE1-CB 4.06Å
54	C	94.7	Very high	82.1	Confident	20 Å²	20	91 Å²	91	14%	0.135	48%	0.479	C	S	.	.			trans	-81.9	112.2	172.7	-179.3	0	0	0	0	110.5	C59 P671 L672 P674	C54-C59 HydrophobicContact CB-CB 3.54Å; C54-C59 WeakPolarHBondContact CB-SG 3.21Å; C54-C59 WeakPolarHBondContact O-CB 3.27Å; C54-C59 WeakPolarHBondContact SG-CB 3.46Å; C54-C59 CovalentContact SG-SG 2.02Å; C54-C59 PolarHBondContact SG-SG 3.13Å; C54-P671 HydrophobicContact CB-CB 4.07Å; C54-L672 PolarHBondContact N-O 3.38Å; C54-P674 VanDerWaalsContact O-CD 3.24Å; C54-P674 WeakPolarHBondContact O-CD 3.48Å; C54-P674 WeakPolarHBondContact O-CG 3.02Å
55	L	94.8	Very high	83.1	Confident	130 Å²	130	86 Å²	86	68%	0.681	46%	0.457	S	S	*	.			trans	-101.1	12	179.1	-57.7	-179.5	0	0	0	113.6	Y53 P674	Y53-L55 PolarHBondContact O-N 3.49Å; L55-P674 HydrophobicContact CD2-CB 3.97Å; L55-P674 HydrophobicContact CD2-CG 4.44Å
56	K	95.9	Very high	84.9	Confident	106 Å²	106	82.5 Å²	82.5	46%	0.461	44%	0.439	S	S	.	.	S	Bend	trans	-64.2	149.2	172.6	-69.1	-173.7	172.5	-173	0	110.6	E58 C59 I60 E564	K56-E58 PolarHBondContact O-N 3.16Å; K56-C59 WeakPolarHBondContact O-CB 3.46Å; K56-C59 PolarHBondContact O-N 2.7Å; K56-I60 PolarHBondContact O-N 3.36Å; K56-I60 VanDerWaalsContact O-N 3.16Å; K56-E564 IonicContact NZ-OE2 2.89Å; K56-E564 PolarHBondContact NZ-OE2 2.86Å
57	P	96.7	Very high	86.7	Confident	94 Å²	94	82.1 Å²	82.1	61%	0.61	43%	0.429	S	S	*	.	H	α-helix	trans	-50.4	-40.4	177.1	-28	35.7	0	0	0	113.8	C59 I60 E61	P57-C59 VanDerWaalsContact C-N 3.35Å; P57-C59 PolarHBondContact O-N 3.05Å; P57-I60 PolarHBondContact O-N 3.29Å; P57-E61 PolarHBondContact O-N 3.27Å
58	E	95.9	Very high	88.5	Confident	56 Å²	56	78.8 Å²	78.8	26%	0.262	42%	0.417	S	S	.	.	H	α-helix	trans	-62.6	-39.9	179.9	-65.2	77.9	-164.7	0	0	112.2	K56 E61 A62 E564 Y565	K56-E58 PolarHBondContact O-N 3.16Å; E58-E61 PolarHBondContact O-N 2.92Å; E58-A62 WeakPolarHBondContact O-CB 3.29Å; E58-A62 PolarHBondContact O-N 3.34Å; E58-E564 HydrophobicContact CB-CB 4.36Å; E58-E564 HydrophobicContact CG-CB 3.8Å; E58-Y565 HydrophobicContact CB-CD1 4.2Å; E58-Y565 HydrophobicContact CB-CD2 4.19Å; E58-Y565 HydrophobicContact CB-CE1 3.78Å; E58-Y565 HydrophobicContact CB-CE2 3.74Å; E58-Y565 HydrophobicContact CB-CG 4.37Å; E58-Y565 VanDerWaalsContact CB-CZ 3.47Å; E58-Y565 HydrophobicContact CG-CD2 4.4Å; E58-Y565 HydrophobicContact CG-CE1 4.49Å; E58-Y565 HydrophobicContact CG-CE2 3.68Å; E58-Y565 WeakPolarHBondContact CG-OH 3.35Å; E58-Y565 WeakPolarHBondContact O-CE1 3.37Å
59	C	95.9	Very high	90.6	Very high	3 Å²	3	72 Å²	72	2%	0.02	39%	0.385	C	S	.	.	H	α-helix	trans	-69.8	-37.2	176.5	-69.2	0	0	0	0	111.8	C54 K56 P57 A62 A63 L673	C54-C59 HydrophobicContact CB-CB 3.54Å; C54-C59 WeakPolarHBondContact CB-SG 3.21Å; C54-C59 WeakPolarHBondContact O-CB 3.27Å; C54-C59 WeakPolarHBondContact SG-CB 3.46Å; C54-C59 CovalentContact SG-SG 2.02Å; C54-C59 PolarHBondContact SG-SG 3.13Å; K56-C59 WeakPolarHBondContact O-CB 3.46Å; K56-C59 PolarHBondContact O-N 2.7Å; P57-C59 VanDerWaalsContact C-N 3.35Å; P57-C59 PolarHBondContact O-N 3.05Å; C59-A62 PolarHBondContact O-N 2.93Å; C59-A63 WeakPolarHBondContact O-CB 3.37Å; C59-A63 PolarHBondContact O-N 2.78Å; C59-L673 HydrophobicContact CB-CD2 3.65Å; C59-L673 WeakPolarHBondContact O-CD2 3.35Å
60	I	96.6	Very high	92.5	Very high	91 Å²	91	68.1 Å²	68.1	47%	0.467	35%	0.352	S	S	.	.	H	α-helix	trans	-66.3	-44.4	175.2	-61.6	168.7	0	0	0	110.2	K56 P57 A62 A63 A64 P674	K56-I60 PolarHBondContact O-N 3.36Å; K56-I60 VanDerWaalsContact O-N 3.16Å; P57-I60 PolarHBondContact O-N 3.29Å; I60-A62 VanDerWaalsContact C-N 3.35Å; I60-A62 PolarHBondContact O-N 3.35Å; I60-A63 PolarHBondContact O-N 3.26Å; I60-A64 PolarHBondContact O-N 2.89Å; I60-P674 HydrophobicContact CG1-CG 3.9Å
61	E	96.4	Very high	94.2	Very high	91 Å²	91	60.2 Å²	60.2	43%	0.425	32%	0.319	S	S	.	.	H	α-helix	trans	-58.4	-47.3	174.7	-170.6	-163.2	144	0	0	110.9	P57 E58 A63 A64 A65 K557 Y565	P57-E61 PolarHBondContact O-N 3.27Å; E58-E61 PolarHBondContact O-N 2.92Å; E61-A63 PolarHBondContact O-N 2.83Å; E61-A64 PolarHBondContact O-N 3.15Å; E61-A65 VanDerWaalsContact O-CB 3.29Å; E61-A65 WeakPolarHBondContact O-CB 3.37Å; E61-A65 PolarHBondContact O-N 3.3Å; E61-K557 IonicContact OE1-NZ 3.36Å; E61-K557 PolarHBondContact OE1-NZ 3.41Å; E61-K557 IonicContact OE2-NZ 2.68Å; E61-K557 PolarHBondContact OE2-NZ 3.08Å; E61-Y565 PolarHBondContact OE2-OH 3.24Å
62	A	95.8	Very high	95.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-46	178.3	0	0	0	0	0	112.1	E58 C59 I60 A64 A65 I66 W561 Y565 L569 L673	E58-A62 WeakPolarHBondContact O-CB 3.29Å; E58-A62 PolarHBondContact O-N 3.34Å; C59-A62 PolarHBondContact O-N 2.93Å; I60-A62 VanDerWaalsContact C-N 3.35Å; I60-A62 PolarHBondContact O-N 3.35Å; A62-A64 PolarHBondContact O-N 2.99Å; A62-A65 PolarHBondContact O-N 2.95Å; A62-I66 WeakPolarHBondContact O-CB 3.4Å; A62-I66 WeakPolarHBondContact O-CD1 3.42Å; A62-I66 WeakPolarHBondContact O-CG1 3.16Å; A62-I66 PolarHBondContact O-N 3.43Å; A62-W561 HydrophobicContact CB-CZ3 4.4Å; A62-Y565 HydrophobicContact CB-CD1 3.95Å; A62-Y565 HydrophobicContact CB-CE1 4.21Å; A62-L569 HydrophobicContact CB-CD1 3.78Å; A62-L673 HydrophobicContact CB-CD1 4.01Å; A62-L673 HydrophobicContact CB-CD2 4.27Å
63	A	96.6	Very high	95.6	Very high	7 Å²	7	59.7 Å²	59.7	6%	0.058	33%	0.333	C	S	.	.	H	α-helix	trans	-58.8	-47.4	178.4	0	0	0	0	0	111.3	C59 I60 E61 I66 L67 L673 P674 I676	C59-A63 WeakPolarHBondContact O-CB 3.37Å; C59-A63 PolarHBondContact O-N 2.78Å; I60-A63 PolarHBondContact O-N 3.26Å; E61-A63 PolarHBondContact O-N 2.83Å; A63-I66 PolarHBondContact O-N 3.24Å; A63-L67 WeakPolarHBondContact O-CB 3.46Å; A63-L67 PolarHBondContact O-N 2.86Å; A63-L673 HydrophobicContact CB-CB 4.13Å; A63-L673 HydrophobicContact CB-CD1 4.47Å; A63-P674 VanDerWaalsContact CB-O 3.25Å; A63-P674 WeakPolarHBondContact CB-O 3.28Å; A63-I676 HydrophobicContact CB-CD1 4.21Å; A63-I676 HydrophobicContact CB-CG1 4.42Å
64	A	95.5	Very high	95.8	Very high	58 Å²	58	55.5 Å²	55.5	48%	0.479	32%	0.318	S	S	.	.	H	α-helix	trans	-62.4	-44.2	177	0	0	0	0	0	112.1	I60 E61 A62 I66 L67 S68	I60-A64 PolarHBondContact O-N 2.89Å; E61-A64 PolarHBondContact O-N 3.15Å; A62-A64 PolarHBondContact O-N 2.99Å; A64-I66 VanDerWaalsContact C-N 3.28Å; A64-I66 PolarHBondContact O-N 3.31Å; A64-L67 PolarHBondContact O-N 2.95Å; A64-S68 PolarHBondContact O-N 3.45Å; A64-S68 VanDerWaalsContact O-N 3.08Å; A64-S68 PolarHBondContact O-OG 3.38Å
65	A	93.8	Very high	96	Very high	27 Å²	27	58.4 Å²	58.4	22%	0.223	33%	0.333	C	S	.	.	H	α-helix	trans	-68.2	-24.3	-179.8	0	0	0	0	0	114	E61 A62 S68 K69 W561	E61-A65 VanDerWaalsContact O-CB 3.29Å; E61-A65 WeakPolarHBondContact O-CB 3.37Å; E61-A65 PolarHBondContact O-N 3.3Å; A62-A65 PolarHBondContact O-N 2.95Å; A65-S68 PolarHBondContact O-OG 2.89Å; A65-K69 WeakPolarHBondContact O-CD 3.4Å; A65-K69 WeakPolarHBondContact O-CE 3.47Å; A65-K69 WeakPolarHBondContact O-CG 3.42Å; A65-W561 HydrophobicContact CB-CH2 4.4Å
66	I	95.3	Very high	96.1	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-80.2	-49.9	172.3	-73.2	156.8	0	0	0	109.9	A62 A63 A64 S68 K69 V70 L569 L673 I676 F678 L683 L686	A62-I66 WeakPolarHBondContact O-CB 3.4Å; A62-I66 WeakPolarHBondContact O-CD1 3.42Å; A62-I66 WeakPolarHBondContact O-CG1 3.16Å; A62-I66 PolarHBondContact O-N 3.43Å; A63-I66 PolarHBondContact O-N 3.24Å; A64-I66 VanDerWaalsContact C-N 3.28Å; A64-I66 PolarHBondContact O-N 3.31Å; I66-S68 VanDerWaalsContact C-N 3.25Å; I66-S68 PolarHBondContact O-N 3.5Å; I66-K69 PolarHBondContact O-N 3.43Å; I66-V70 HydrophobicContact CG2-CG2 4.17Å; I66-V70 WeakPolarHBondContact O-CG2 3.39Å; I66-V70 PolarHBondContact O-N 3.48Å; I66-L569 HydrophobicContact CD1-CD1 4.46Å; I66-L569 HydrophobicContact CD1-CD2 3.78Å; I66-L673 HydrophobicContact CD1-CD1 3.64Å; I66-I676 HydrophobicContact CG2-CD1 4.37Å; I66-F678 HydrophobicContact CG2-CD2 4.4Å; I66-L683 HydrophobicContact CD1-CD2 3.64Å; I66-L683 HydrophobicContact CG2-CD2 4.48Å; I66-L686 HydrophobicContact CG2-CD1 4.06Å
67	L	94.1	Very high	96.2	Very high	83 Å²	83	48.5 Å²	48.5	44%	0.435	29%	0.287	S	S	.	.	H	α-helix	trans	-60.9	-34.8	-175.1	-173.7	61.7	0	0	0	112.3	A63 A64 K69 I676	A63-L67 WeakPolarHBondContact O-CB 3.46Å; A63-L67 PolarHBondContact O-N 2.86Å; A64-L67 PolarHBondContact O-N 2.95Å; L67-K69 PolarHBondContact O-N 3.22Å; L67-I676 HydrophobicContact CB-CG2 4.13Å; L67-I676 HydrophobicContact CD1-CG2 4.16Å; L67-I676 HydrophobicContact CD2-CG2 4.33Å; L67-I676 HydrophobicContact CG-CG2 4.44Å
68	S	93.9	Very high	96.3	Very high	67 Å²	67	48.2 Å²	48.2	47%	0.469	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.1	177.7	64.5	0	0	0	0	114.4	A64 A65 I66	A64-S68 PolarHBondContact O-N 3.45Å; A64-S68 VanDerWaalsContact O-N 3.08Å; A64-S68 PolarHBondContact O-OG 3.38Å; A65-S68 PolarHBondContact O-OG 2.89Å; I66-S68 VanDerWaalsContact C-N 3.25Å; I66-S68 PolarHBondContact O-N 3.5Å
69	K	95.2	Very high	96.4	Very high	22 Å²	22	47.4 Å²	47.4	10%	0.096	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-29.2	-175.9	-58.6	177.9	-174.8	159.4	0	112.8	A65 I66 L67 A84 G87 W88 H690	A65-K69 WeakPolarHBondContact O-CD 3.4Å; A65-K69 WeakPolarHBondContact O-CE 3.47Å; A65-K69 WeakPolarHBondContact O-CG 3.42Å; I66-K69 PolarHBondContact O-N 3.43Å; L67-K69 PolarHBondContact O-N 3.22Å; K69-A84 CarbonylContact C-O 3.45Å; K69-G87 VanDerWaalsContact O-CA 3.3Å; K69-G87 WeakPolarHBondContact O-CA 3.37Å; K69-G87 PolarHBondContact O-N 3.16Å; K69-W88 HydrophobicContact CB-CB 4.21Å; K69-W88 HydrophobicContact CD-CB 4.43Å; K69-W88 HydrophobicContact CG-CB 3.97Å; K69-W88 HydrophobicContact CG-CG 4.46Å; K69-H690 HydrophobicContact CD-CB 4.46Å
70	V	96.8	Very high	96.5	Very high	14 Å²	14	47.2 Å²	47.2	9%	0.085	28%	0.277	C	S	.	.			trans	-76.2	131.4	-174.1	174	0	0	0	0	111.1	I66 L72 F83 F678 L686	I66-V70 HydrophobicContact CG2-CG2 4.17Å; I66-V70 WeakPolarHBondContact O-CG2 3.39Å; I66-V70 PolarHBondContact O-N 3.48Å; V70-L72 HydrophobicContact CG1-CD2 3.66Å; V70-L72 HydrophobicContact CG1-CG 4.18Å; V70-F83 CarbonylContact C-O 3.58Å; V70-F83 VanDerWaalsContact CA-O 3.25Å; V70-F83 WeakPolarHBondContact CA-O 3.31Å; V70-F83 HydrophobicContact CG1-CD2 4.12Å; V70-F83 HydrophobicContact CG1-CE1 4.09Å; V70-F83 HydrophobicContact CG1-CE2 3.68Å; V70-F83 HydrophobicContact CG1-CZ 3.67Å; V70-F678 HydrophobicContact CG1-CE2 4.48Å; V70-F678 HydrophobicContact CG1-CZ 4.15Å; V70-F678 HydrophobicContact CG2-CE2 4.4Å; V70-L686 HydrophobicContact CG2-CD1 4.46Å; V70-L686 HydrophobicContact CG2-CD2 3.71Å
71	N	97.4	Very high	96.6	Very high	39 Å²	39	43.6 Å²	43.6	21%	0.209	26%	0.257	C	S	.	.			trans	-100.8	96.8	170.5	-178.4	-0.8	0	0	0	110.4	S73 V74 F83 D86	N71-S73 PolarHBondContact O-N 2.86Å; N71-S73 VanDerWaalsContact O-N 3.12Å; N71-S73 WeakPolarHBondContact OD1-CB 3.32Å; N71-S73 PolarHBondContact OD1-N 3.48Å; N71-V74 PolarHBondContact O-N 3.44Å; N71-F83 PolarHBondContact N-O 3.1Å; N71-F83 WeakPolarHBondContact O-CD2 3.27Å; N71-D86 HydrophobicContact CB-CB 3.83Å; N71-D86 PolarHBondContact ND2-OD2 3.29Å
72	L	95.5	Very high	96.7	Very high	119 Å²	119	44.8 Å²	44.8	62%	0.623	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-7.5	-179.4	-61.8	176.5	0	0	0	114.3	V70 V74 F83 F678	V70-L72 HydrophobicContact CG1-CD2 3.66Å; V70-L72 HydrophobicContact CG1-CG 4.18Å; L72-V74 VanDerWaalsContact C-N 3.28Å; L72-F83 HydrophobicContact CD2-CE2 4.05Å; L72-F83 HydrophobicContact CD2-CZ 4.46Å; L72-F678 HydrophobicContact CD2-CZ 4.15Å
73	S	96.9	Very high	96.8	Very high	118 Å²	118	45.1 Å²	45.1	83%	0.825	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-6.2	175.1	-54.4	0	0	0	0	113.2	N71	N71-S73 PolarHBondContact O-N 2.86Å; N71-S73 VanDerWaalsContact O-N 3.12Å; N71-S73 WeakPolarHBondContact OD1-CB 3.32Å; N71-S73 PolarHBondContact OD1-N 3.48Å
74	V	98.2	Very high	96.9	Very high	19 Å²	19	44.8 Å²	44.8	12%	0.115	26%	0.257	C	S	.	.	S	Bend	trans	-107.5	131.8	178	177.8	0	0	0	0	108.7	N71 L72 N79 R82 F83	N71-V74 PolarHBondContact O-N 3.44Å; L72-V74 VanDerWaalsContact C-N 3.28Å; V74-N79 HydrophobicContact CG1-CB 4.28Å; V74-R82 HydrophobicContact CG1-CB 4.03Å; V74-R82 HydrophobicContact CG2-CB 4.31Å; V74-F83 HydrophobicContact CB-CB 4.31Å; V74-F83 HydrophobicContact CG1-CB 4.2Å; V74-F83 WeakPolarHBondContact O-CD2 3.44Å
75	D	97.8	Very high	97.1	Very high	82 Å²	82	42 Å²	42	44%	0.439	23%	0.234	S	C	.	.			trans	-69	123.8	172.9	-170.1	-33.2	0	0	0	109.7	C77 D78 N79	D75-C77 PolarHBondContact O-N 3.28Å; D75-C77 VanDerWaalsContact O-N 3.13Å; D75-C77 WeakPolarHBondContact OD1-CA 3.19Å; D75-C77 VanDerWaalsContact OD1-CB 3.27Å; D75-C77 WeakPolarHBondContact OD1-CB 3.28Å; D75-C77 PolarHBondContact OD1-N 3.13Å; D75-D78 HydrophobicContact CB-CB 4.15Å; D75-D78 PolarHBondContact O-N 3.48Å; D75-N79 PolarHBondContact O-N 3.47Å; D75-N79 VanDerWaalsContact O-N 3.16Å
76	P	98.1	Very high	97.2	Very high	22 Å²	22	42.4 Å²	42.4	14%	0.143	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24	176.1	23.6	-34.2	0	0	0	113.3	F80 F83 F731 M739	P76-F80 HydrophobicContact CB-CD2 3.65Å; P76-F80 HydrophobicContact CB-CE2 3.99Å; P76-F83 HydrophobicContact CB-CB 4.47Å; P76-F83 HydrophobicContact CB-CD1 3.82Å; P76-F83 HydrophobicContact CB-CD2 4.32Å; P76-F83 HydrophobicContact CB-CE1 4.03Å; P76-F83 HydrophobicContact CB-CE2 4.5Å; P76-F83 HydrophobicContact CB-CG 3.95Å; P76-F83 HydrophobicContact CB-CZ 4.35Å; P76-F83 HydrophobicContact CG-CE2 4.44Å; P76-F83 HydrophobicContact CG-CZ 4.44Å; P76-F731 HydrophobicContact CB-CD1 3.67Å; P76-F731 HydrophobicContact CB-CE1 4.05Å; P76-F731 HydrophobicContact CB-CG 4.29Å; P76-F731 HydrophobicContact CG-CD1 3.64Å; P76-F731 HydrophobicContact CG-CE1 4.27Å; P76-F731 HydrophobicContact CG-CG 4.43Å; P76-M739 WeakPolarHBondContact O-CG 3.49Å
77	C	98.4	Very high	97.3	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.034	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-7.9	179.3	-61.3	0	0	0	0	114.1	D75 C733 S737 T738 M739	D75-C77 PolarHBondContact O-N 3.28Å; D75-C77 VanDerWaalsContact O-N 3.13Å; D75-C77 WeakPolarHBondContact OD1-CA 3.19Å; D75-C77 VanDerWaalsContact OD1-CB 3.27Å; D75-C77 WeakPolarHBondContact OD1-CB 3.28Å; D75-C77 PolarHBondContact OD1-N 3.13Å; C77-C733 VanDerWaalsContact CA-SG 3.53Å; C77-C733 HydrophobicContact CB-CB 3.68Å; C77-C733 WeakPolarHBondContact CB-SG 3.41Å; C77-C733 WeakPolarHBondContact SG-CA 3.4Å; C77-C733 WeakPolarHBondContact SG-CB 3.33Å; C77-C733 CovalentContact SG-SG 2.05Å; C77-C733 PolarHBondContact SG-SG 2.9Å; C77-S737 WeakPolarHBondContact O-CB 3.29Å; C77-S737 PolarHBondContact O-OG 2.94Å; C77-T738 PolarHBondContact O-N 2.92Å; C77-M739 VanDerWaalsContact O-CB 3.23Å; C77-M739 WeakPolarHBondContact O-CB 3.4Å; C77-M739 WeakPolarHBondContact O-CG 3.15Å; C77-M739 PolarHBondContact O-N 3.2Å
78	D	97.9	Very high	97.4	Very high	88 Å²	88	40.2 Å²	40.2	47%	0.471	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-48	171.8	-76.9	-18.9	0	0	0	112.2	D75 T738	D75-D78 HydrophobicContact CB-CB 4.15Å; D75-D78 PolarHBondContact O-N 3.48Å; D78-T738 WeakPolarHBondContact O-CB 3.35Å
79	N	98.1	Very high	97.6	Very high	39 Å²	39	39 Å²	39	21%	0.209	21%	0.211	C	C	.	.			trans	-152.9	91.4	179.2	-168	-35.2	0	0	0	111.6	V74 D75 F81 R82 F83 N718	V74-N79 HydrophobicContact CG1-CB 4.28Å; D75-N79 PolarHBondContact O-N 3.47Å; D75-N79 VanDerWaalsContact O-N 3.16Å; N79-F81 PolarHBondContact O-N 2.72Å; N79-F81 PolarHBondContact OD1-N 3.06Å; N79-R82 HydrophobicContact CB-CB 4.18Å; N79-R82 HydrophobicContact CB-CG 4.42Å; N79-R82 PolarHBondContact O-N 2.75Å; N79-R82 PolarHBondContact OD1-N 3.18Å; N79-F83 PolarHBondContact O-N 3.06Å; N79-N718 PolarHBondContact OD1-ND2 3.32Å
80	F	98.6	Very high	97.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.6	-35.3	-175.5	-164.5	-105.2	0	0	0	113.8	P76 R82 F83 A84 F685 L686 A689 V717 N718 I721 F727 F731 M739	P76-F80 HydrophobicContact CB-CD2 3.65Å; P76-F80 HydrophobicContact CB-CE2 3.99Å; F80-R82 PolarHBondContact O-N 3.39Å; F80-F83 AromaticContact CD2-CD1 3.88Å; F80-F83 HydrophobicContact CD2-CD1 3.88Å; F80-F83 AromaticContact CE2-CD1 3.62Å; F80-F83 HydrophobicContact CE2-CD1 3.62Å; F80-F83 AromaticContact CE2-CE1 3.93Å; F80-F83 HydrophobicContact CE2-CE1 3.93Å; F80-F83 HydrophobicContact CZ-CD1 4.39Å; F80-F83 PolarHBondContact O-N 3.44Å; F80-A84 HydrophobicContact CE1-CB 4.3Å; F80-A84 WeakPolarHBondContact O-CB 3.48Å; F80-A84 PolarHBondContact O-N 3.45Å; F80-F685 HydrophobicContact CE1-CB 4.06Å; F80-F685 WeakPolarHBondContact CE1-O 3.33Å; F80-F685 HydrophobicContact CZ-CB 3.88Å; F80-L686 HydrophobicContact CZ-CD2 4.01Å; F80-L686 HydrophobicContact CZ-CG 4.22Å; F80-A689 HydrophobicContact CD1-CB 4.09Å; F80-A689 HydrophobicContact CE1-CB 3.8Å; F80-V717 HydrophobicContact CD1-CG1 3.96Å; F80-N718 PolarHBondContact N-OD1 2.84Å; F80-I721 HydrophobicContact CD1-CD1 3.29Å; F80-I721 HydrophobicContact CE1-CD1 3.67Å; F80-I721 HydrophobicContact CG-CD1 4.15Å; F80-F727 HydrophobicContact CB-CZ 4.12Å; F80-F727 HydrophobicContact CD1-CE2 4.23Å; F80-F727 AromaticContact CD2-CE2 3.42Å; F80-F727 HydrophobicContact CD2-CE2 3.42Å; F80-F727 VanDerWaalsContact CD2-CE2 3.42Å; F80-F727 AromaticContact CD2-CZ 3.49Å; F80-F727 HydrophobicContact CD2-CZ 3.49Å; F80-F727 VanDerWaalsContact CD2-CZ 3.49Å; F80-F727 HydrophobicContact CE1-CE2 4.29Å; F80-F727 AromaticContact CE2-CE2 3.53Å; F80-F727 HydrophobicContact CE2-CE2 3.53Å; F80-F727 HydrophobicContact CE2-CZ 4.05Å; F80-F727 AromaticContact CG-CE2 3.79Å; F80-F727 HydrophobicContact CG-CE2 3.79Å; F80-F727 AromaticContact CG-CZ 3.84Å; F80-F727 HydrophobicContact CG-CZ 3.84Å; F80-F727 AromaticContact CZ-CE2 3.96Å; F80-F727 HydrophobicContact CZ-CE2 3.96Å; F80-F731 HydrophobicContact CE2-CD1 4.45Å; F80-F731 HydrophobicContact CE2-CD2 4.36Å; F80-F731 AromaticContact CE2-CE1 3.85Å; F80-F731 HydrophobicContact CE2-CE1 3.85Å; F80-F731 AromaticContact CE2-CE2 3.74Å; F80-F731 HydrophobicContact CE2-CE2 3.74Å; F80-F731 AromaticContact CE2-CZ 3.45Å; F80-F731 HydrophobicContact CE2-CZ 3.45Å; F80-F731 VanDerWaalsContact CE2-CZ 3.45Å; F80-F731 AromaticContact CZ-CE2 4Å; F80-F731 HydrophobicContact CZ-CE2 4Å; F80-F731 AromaticContact CZ-CZ 3.8Å; F80-F731 HydrophobicContact CZ-CZ 3.8Å; F80-M739 HydrophobicContact CB-CE 3.98Å; F80-M739 HydrophobicContact CB-SD 4.44Å
81	F	98.6	Very high	97.6	Very high	14 Å²	14	47.1 Å²	47.1	6%	0.061	26%	0.262	C	S	.	.	H	α-helix	trans	-58.9	-47.7	174.8	177.5	-98.6	0	0	0	111.3	N79 A84 C85 I89 P713 Q714 V717 N718	N79-F81 PolarHBondContact O-N 2.72Å; N79-F81 PolarHBondContact OD1-N 3.06Å; F81-A84 PolarHBondContact O-N 3.42Å; F81-C85 HydrophobicContact CD2-CB 4.28Å; F81-C85 HydrophobicContact CE1-CB 4.37Å; F81-C85 HydrophobicContact CE2-CB 4.06Å; F81-C85 HydrophobicContact CZ-CB 4.11Å; F81-C85 WeakPolarHBondContact O-CA 3.4Å; F81-C85 WeakPolarHBondContact O-CB 3.31Å; F81-C85 PolarHBondContact O-N 2.89Å; F81-I89 HydrophobicContact CE1-CD1 3.87Å; F81-I89 HydrophobicContact CZ-CD1 3.77Å; F81-P713 HydrophobicContact CE2-CB 4.07Å; F81-P713 HydrophobicContact CZ-CB 4.39Å; F81-Q714 HydrophobicContact CB-CB 4.18Å; F81-Q714 HydrophobicContact CD1-CB 3.58Å; F81-Q714 HydrophobicContact CD2-CB 4.2Å; F81-Q714 HydrophobicContact CE1-CB 3.94Å; F81-Q714 HydrophobicContact CE2-CB 4.5Å; F81-Q714 HydrophobicContact CG-CB 3.72Å; F81-Q714 HydrophobicContact CZ-CB 4.37Å; F81-V717 HydrophobicContact CB-CB 4.22Å; F81-V717 HydrophobicContact CB-CG1 4.17Å; F81-V717 HydrophobicContact CD2-CB 4.1Å; F81-V717 HydrophobicContact CD2-CG2 3.93Å; F81-N718 WeakPolarHBondContact CB-OD1 3.5Å; F81-N718 PolarHBondContact N-OD1 3.14Å
82	R	98.3	Very high	97.6	Very high	116 Å²	116	47.2 Å²	47.2	44%	0.438	26%	0.263	S	S	.	.	H	α-helix	trans	-65.5	-43.5	177.7	-73.8	-169.9	65.1	-157.3	-6.3	111.9	V74 N79 F80 A84 D86	V74-R82 HydrophobicContact CG1-CB 4.03Å; V74-R82 HydrophobicContact CG2-CB 4.31Å; N79-R82 HydrophobicContact CB-CB 4.18Å; N79-R82 HydrophobicContact CB-CG 4.42Å; N79-R82 PolarHBondContact O-N 2.75Å; N79-R82 PolarHBondContact OD1-N 3.18Å; F80-R82 PolarHBondContact O-N 3.39Å; R82-A84 VanDerWaalsContact C-N 3.29Å; R82-A84 PolarHBondContact O-N 3.05Å; R82-D86 WeakPolarHBondContact CA-OD1 3.13Å; R82-D86 WeakPolarHBondContact CB-OD2 3.36Å; R82-D86 WeakPolarHBondContact CG-OD1 3.29Å; R82-D86 IonicContact CZ-OD2 3.38Å; R82-D86 IonicContact NE-OD1 3.67Å; R82-D86 IonicContact NE-OD2 2.84Å; R82-D86 PolarHBondContact NE-OD2 3.26Å; R82-D86 IonicContact NH2-OD2 3.86Å; R82-D86 PolarHBondContact NH2-OD2 2.93Å; R82-D86 VanDerWaalsContact NH2-OD2 3.14Å; R82-D86 WeakPolarHBondContact O-CB 3.39Å; R82-D86 PolarHBondContact O-N 2.8Å
83	F	98.6	Very high	97.6	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.035	26%	0.264	C	S	.	.	H	α-helix	trans	-55.4	-43.3	173.6	173.1	-102.7	0	0	0	112.3	V70 N71 L72 V74 P76 N79 F80 F678 L686 F731	V70-F83 CarbonylContact C-O 3.58Å; V70-F83 VanDerWaalsContact CA-O 3.25Å; V70-F83 WeakPolarHBondContact CA-O 3.31Å; V70-F83 HydrophobicContact CG1-CD2 4.12Å; V70-F83 HydrophobicContact CG1-CE1 4.09Å; V70-F83 HydrophobicContact CG1-CE2 3.68Å; V70-F83 HydrophobicContact CG1-CZ 3.67Å; N71-F83 PolarHBondContact N-O 3.1Å; N71-F83 WeakPolarHBondContact O-CD2 3.27Å; L72-F83 HydrophobicContact CD2-CE2 4.05Å; L72-F83 HydrophobicContact CD2-CZ 4.46Å; V74-F83 HydrophobicContact CB-CB 4.31Å; V74-F83 HydrophobicContact CG1-CB 4.2Å; V74-F83 WeakPolarHBondContact O-CD2 3.44Å; P76-F83 HydrophobicContact CB-CB 4.47Å; P76-F83 HydrophobicContact CB-CD1 3.82Å; P76-F83 HydrophobicContact CB-CD2 4.32Å; P76-F83 HydrophobicContact CB-CE1 4.03Å; P76-F83 HydrophobicContact CB-CE2 4.5Å; P76-F83 HydrophobicContact CB-CG 3.95Å; P76-F83 HydrophobicContact CB-CZ 4.35Å; P76-F83 HydrophobicContact CG-CE2 4.44Å; P76-F83 HydrophobicContact CG-CZ 4.44Å; N79-F83 PolarHBondContact O-N 3.06Å; F80-F83 AromaticContact CD2-CD1 3.88Å; F80-F83 HydrophobicContact CD2-CD1 3.88Å; F80-F83 AromaticContact CE2-CD1 3.62Å; F80-F83 HydrophobicContact CE2-CD1 3.62Å; F80-F83 AromaticContact CE2-CE1 3.93Å; F80-F83 HydrophobicContact CE2-CE1 3.93Å; F80-F83 HydrophobicContact CZ-CD1 4.39Å; F80-F83 PolarHBondContact O-N 3.44Å; F83-F678 HydrophobicContact CE1-CE1 4.35Å; F83-F678 HydrophobicContact CE1-CZ 4.33Å; F83-F678 AromaticContact CZ-CE1 3.78Å; F83-F678 HydrophobicContact CZ-CE1 3.78Å; F83-F678 AromaticContact CZ-CZ 3.69Å; F83-F678 HydrophobicContact CZ-CZ 3.69Å; F83-L686 HydrophobicContact CD1-CD2 4.16Å; F83-L686 HydrophobicContact CE1-CD2 3.8Å; F83-F731 HydrophobicContact CE1-CE1 4.05Å; F83-F731 HydrophobicContact CZ-CE1 4.5Å
84	A	98.4	Very high	97.7	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-87.8	-26.9	-175.7	0	0	0	0	0	114.6	K69 F80 F81 R82 L686 A689 H690	K69-A84 CarbonylContact C-O 3.45Å; F80-A84 HydrophobicContact CE1-CB 4.3Å; F80-A84 WeakPolarHBondContact O-CB 3.48Å; F80-A84 PolarHBondContact O-N 3.45Å; F81-A84 PolarHBondContact O-N 3.42Å; R82-A84 VanDerWaalsContact C-N 3.29Å; R82-A84 PolarHBondContact O-N 3.05Å; A84-L686 HydrophobicContact CB-CD2 3.94Å; A84-A689 HydrophobicContact CB-CB 3.51Å; A84-H690 PolarHBondContact O-CD2 2.85Å; A84-H690 PolarHBondContact O-NE2 3.17Å
85	C	98.4	Very high	97.6	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-118	-17.9	-167.9	-68.3	0	0	0	0	115.7	F81 G87 W88 I89 C693	F81-C85 HydrophobicContact CD2-CB 4.28Å; F81-C85 HydrophobicContact CE1-CB 4.37Å; F81-C85 HydrophobicContact CE2-CB 4.06Å; F81-C85 HydrophobicContact CZ-CB 4.11Å; F81-C85 WeakPolarHBondContact O-CA 3.4Å; F81-C85 WeakPolarHBondContact O-CB 3.31Å; F81-C85 PolarHBondContact O-N 2.89Å; C85-G87 PolarHBondContact O-N 3.01Å; C85-W88 PolarHBondContact O-N 3.04Å; C85-W88 VanDerWaalsContact O-N 3.13Å; C85-I89 HydrophobicContact CB-CD1 3.96Å; C85-I89 HydrophobicContact CB-CG1 4.45Å; C85-I89 WeakPolarHBondContact O-CG1 3.49Å; C85-I89 PolarHBondContact O-N 3.01Å; C85-C693 WeakPolarHBondContact CA-SG 3.14Å; C85-C693 HydrophobicContact CB-CB 3.7Å; C85-C693 WeakPolarHBondContact CB-SG 3.15Å; C85-C693 WeakPolarHBondContact SG-CA 3.24Å; C85-C693 WeakPolarHBondContact SG-CB 3.48Å; C85-C693 CovalentContact SG-SG 2.04Å; C85-C693 PolarHBondContact SG-SG 3.11Å
86	D	97.6	Very high	97.6	Very high	35 Å²	35	43.3 Å²	43.3	19%	0.187	24%	0.237	C	C	.	.	H	α-helix	trans	-59.3	-36.5	-173.6	-82.5	1.9	0	0	0	111.5	N71 R82 I89 S90	N71-D86 HydrophobicContact CB-CB 3.83Å; N71-D86 PolarHBondContact ND2-OD2 3.29Å; R82-D86 WeakPolarHBondContact CA-OD1 3.13Å; R82-D86 WeakPolarHBondContact CB-OD2 3.36Å; R82-D86 WeakPolarHBondContact CG-OD1 3.29Å; R82-D86 IonicContact CZ-OD2 3.38Å; R82-D86 IonicContact NE-OD1 3.67Å; R82-D86 IonicContact NE-OD2 2.84Å; R82-D86 PolarHBondContact NE-OD2 3.26Å; R82-D86 IonicContact NH2-OD2 3.86Å; R82-D86 PolarHBondContact NH2-OD2 2.93Å; R82-D86 VanDerWaalsContact NH2-OD2 3.14Å; R82-D86 WeakPolarHBondContact O-CB 3.39Å; R82-D86 PolarHBondContact O-N 2.8Å; D86-I89 PolarHBondContact O-N 2.97Å; D86-S90 VanDerWaalsContact O-CB 3.27Å; D86-S90 WeakPolarHBondContact O-CB 3.49Å; D86-S90 PolarHBondContact O-N 3.05Å
87	G	97	Very high	97.4	Very high	17 Å²	17	43.8 Å²	43.8	18%	0.175	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-48.5	175.5	0	0	0	0	0	112.1	K69 C85 I89 S90 D91	K69-G87 VanDerWaalsContact O-CA 3.3Å; K69-G87 WeakPolarHBondContact O-CA 3.37Å; K69-G87 PolarHBondContact O-N 3.16Å; C85-G87 PolarHBondContact O-N 3.01Å; G87-I89 PolarHBondContact O-N 3.18Å; G87-S90 PolarHBondContact O-N 3.21Å; G87-D91 PolarHBondContact O-N 3.46Å; G87-D91 VanDerWaalsContact O-N 3.08Å
88	W	96.3	Very high	97.3	Very high	20 Å²	20	44.8 Å²	44.8	8%	0.076	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-45.1	177.1	-170.2	85.9	0	0	0	111.9	K69 C85 S90 D91 N92 Y101 G102 V103 W106 C693	K69-W88 HydrophobicContact CB-CB 4.21Å; K69-W88 HydrophobicContact CD-CB 4.43Å; K69-W88 HydrophobicContact CG-CB 3.97Å; K69-W88 HydrophobicContact CG-CG 4.46Å; C85-W88 PolarHBondContact O-N 3.04Å; C85-W88 VanDerWaalsContact O-N 3.13Å; W88-S90 VanDerWaalsContact C-N 3.34Å; W88-S90 PolarHBondContact O-N 3.28Å; W88-D91 PolarHBondContact O-N 3.29Å; W88-N92 HydrophobicContact CD2-CB 4.22Å; W88-N92 HydrophobicContact CE3-CB 4.13Å; W88-N92 HydrophobicContact CH2-CB 3.69Å; W88-N92 HydrophobicContact CZ2-CB 3.84Å; W88-N92 HydrophobicContact CZ3-CB 3.85Å; W88-N92 VanDerWaalsContact O-CB 3.27Å; W88-N92 WeakPolarHBondContact O-CB 3.23Å; W88-N92 PolarHBondContact O-N 3.26Å; W88-N92 PolarHBondContact O-ND2 2.87Å; W88-Y101 AromaticContact CH2-CD1 3.93Å; W88-Y101 HydrophobicContact CH2-CD1 3.93Å; W88-Y101 HydrophobicContact CH2-CE1 4.14Å; W88-G102 VanDerWaalsContact CZ3-CA 3.47Å; W88-V103 HydrophobicContact CD2-CG2 4.18Å; W88-V103 HydrophobicContact CZ2-CG2 4.05Å; W88-W106 HydrophobicContact CZ2-CB 4.38Å; W88-C693 HydrophobicContact CD2-CB 4.27Å; W88-C693 HydrophobicContact CE3-CB 4.04Å; W88-C693 HydrophobicContact CG-CB 4.48Å
89	I	96.9	Very high	97.3	Very high	43 Å²	43	42.7 Å²	42.7	22%	0.221	23%	0.234	C	C	.	.	H	α-helix	trans	-66.5	-37.8	-177.9	-68.4	170.2	0	0	0	111	F81 C85 D86 G87 N92	F81-I89 HydrophobicContact CE1-CD1 3.87Å; F81-I89 HydrophobicContact CZ-CD1 3.77Å; C85-I89 HydrophobicContact CB-CD1 3.96Å; C85-I89 HydrophobicContact CB-CG1 4.45Å; C85-I89 WeakPolarHBondContact O-CG1 3.49Å; C85-I89 PolarHBondContact O-N 3.01Å; D86-I89 PolarHBondContact O-N 2.97Å; G87-I89 PolarHBondContact O-N 3.18Å; I89-N92 CarbonylContact O-C 3.59Å; I89-N92 PolarHBondContact O-N 3.06Å
90	S	96.1	Very high	97.2	Very high	94 Å²	94	41.9 Å²	41.9	66%	0.657	23%	0.231	S	C	*	.	H	α-helix	trans	-62.9	-44.4	175.7	-177.5	0	0	0	0	111.6	D86 G87 W88 N92	D86-S90 VanDerWaalsContact O-CB 3.27Å; D86-S90 WeakPolarHBondContact O-CB 3.49Å; D86-S90 PolarHBondContact O-N 3.05Å; G87-S90 PolarHBondContact O-N 3.21Å; W88-S90 VanDerWaalsContact C-N 3.34Å; W88-S90 PolarHBondContact O-N 3.28Å; S90-N92 VanDerWaalsContact C-N 3.31Å; S90-N92 PolarHBondContact O-N 2.97Å
91	D	96.6	Very high	97.2	Very high	111 Å²	111	43.2 Å²	43.2	59%	0.594	24%	0.237	S	C	*	.	H	α-helix	trans	-80	-13.3	-176.7	-68.3	-9.2	0	0	0	113.4	G87 W88 P93	G87-D91 PolarHBondContact O-N 3.46Å; G87-D91 VanDerWaalsContact O-N 3.08Å; W88-D91 PolarHBondContact O-N 3.29Å; D91-P93 WeakPolarHBondContact O-CD 3.35Å
92	N	96.8	Very high	97.1	Very high	41 Å²	41	42.6 Å²	42.6	22%	0.219	23%	0.234	C	C	.	.	S	Bend	trans	-127.5	71.4	-176	-64.3	-92	0	0	0	110.9	W88 I89 S90 Y101	W88-N92 HydrophobicContact CD2-CB 4.22Å; W88-N92 HydrophobicContact CE3-CB 4.13Å; W88-N92 HydrophobicContact CH2-CB 3.69Å; W88-N92 HydrophobicContact CZ2-CB 3.84Å; W88-N92 HydrophobicContact CZ3-CB 3.85Å; W88-N92 VanDerWaalsContact O-CB 3.27Å; W88-N92 WeakPolarHBondContact O-CB 3.23Å; W88-N92 PolarHBondContact O-N 3.26Å; W88-N92 PolarHBondContact O-ND2 2.87Å; I89-N92 CarbonylContact O-C 3.59Å; I89-N92 PolarHBondContact O-N 3.06Å; S90-N92 VanDerWaalsContact C-N 3.31Å; S90-N92 PolarHBondContact O-N 2.97Å; N92-Y101 HydrophobicContact CB-CD1 4.11Å; N92-Y101 HydrophobicContact CB-CE1 3.99Å
93	P	96.6	Very high	97	Very high	98 Å²	98	37.1 Å²	37.1	64%	0.636	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-62.1	153.2	177	28.2	-35.5	0	0	0	111.3	D91 P95	D91-P93 WeakPolarHBondContact O-CD 3.35Å; P93-P95 VanDerWaalsContact O-CD 3.23Å; P93-P95 WeakPolarHBondContact O-CD 3.4Å
94	I	97.8	Very high	96.9	Very high	31 Å²	31	39.4 Å²	39.4	16%	0.159	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-64.2	119.4	179.7	-53	173.3	0	0	0	109.3	M98 S695 R697	I94-M98 HydrophobicContact CG2-CB 4.36Å; I94-M98 VanDerWaalsContact CG2-O 3.25Å; I94-M98 WeakPolarHBondContact CG2-O 3.15Å; I94-S695 WeakPolarHBondContact CG1-OG 3.42Å; I94-R697 HydrophobicContact CD1-CG 3.98Å; I94-R697 HydrophobicContact CG2-CG 4.28Å; I94-R697 PolarHBondContact O-NH2 2.86Å
95	P	97.1	Very high	96.8	Very high	38 Å²	38	40.8 Å²	40.8	25%	0.247	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-55.8	152.2	173.1	-27	37.6	0	0	0	112.5	P93 D97 M98 Y101 R697	P93-P95 VanDerWaalsContact O-CD 3.23Å; P93-P95 WeakPolarHBondContact O-CD 3.4Å; P95-D97 WeakPolarHBondContact CB-OD1 3.48Å; P95-D97 PolarHBondContact O-N 3.22Å; P95-M98 HydrophobicContact CB-CB 4.38Å; P95-M98 HydrophobicContact CB-CG 4.22Å; P95-M98 HydrophobicContact CB-SD 4.47Å; P95-M98 HydrophobicContact CG-CG 4.5Å; P95-M98 HydrophobicContact CG-SD 4.15Å; P95-M98 PolarHBondContact O-N 3.04Å; P95-M98 VanDerWaalsContact O-N 3.15Å; P95-Y101 VanDerWaalsContact CD-CG 3.47Å; P95-Y101 HydrophobicContact CG-CD1 4.47Å; P95-Y101 HydrophobicContact CG-CD2 4.1Å; P95-Y101 HydrophobicContact CG-CE2 4.25Å; P95-Y101 HydrophobicContact CG-CG 4.21Å; P95-R697 PolarHBondContact O-NH2 3.32Å
96	E	96.8	Very high	96.7	Very high	90 Å²	90	44.8 Å²	44.8	42%	0.421	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.4	-176.4	-73	-49.5	134	0	0	113.8	T397 T398 R697	E96-T397 WeakPolarHBondContact CB-OG1 3.48Å; E96-T397 PolarHBondContact O-N 3.48Å; E96-T397 WeakPolarHBondContact OE2-CB 2.98Å; E96-T397 VanDerWaalsContact OE2-CG2 3.31Å; E96-T397 WeakPolarHBondContact OE2-CG2 3.37Å; E96-T397 PolarHBondContact OE2-OG1 3.09Å; E96-T398 HydrophobicContact CB-CG2 3.94Å; E96-T398 VanDerWaalsContact CB-OG1 3.3Å; E96-T398 WeakPolarHBondContact CB-OG1 3.1Å; E96-T398 PolarHBondContact O-N 2.03Å; E96-T398 VanDerWaalsContact O-N 3.16Å; E96-T398 PolarHBondContact O-OG1 2.99Å; E96-R697 IonicContact OE1-NH2 3.12Å; E96-R697 PolarHBondContact OE1-NH2 3.24Å; E96-R697 IonicContact OE2-CZ 2.62Å; E96-R697 IonicContact OE2-NH1 3.75Å; E96-R697 IonicContact OE2-NH2 3.59Å; E96-R697 PolarHBondContact OE2-NH2 3.42Å
97	D	95.2	Very high	96.7	Very high	31 Å²	31	43.2 Å²	43.2	17%	0.166	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	2.1	177.3	59.2	-11.9	0	0	0	113.7	P95 T398 L400 P401	P95-D97 WeakPolarHBondContact CB-OD1 3.48Å; P95-D97 PolarHBondContact O-N 3.22Å; D97-T398 WeakPolarHBondContact CA-O 3.31Å; D97-T398 PolarHBondContact N-OG1 2.96Å; D97-T398 VanDerWaalsContact N-OG1 3.14Å; D97-L400 HydrophobicContact CB-CD2 4.05Å; D97-P401 WeakPolarHBondContact OD2-CD 3.29Å
98	M	96.2	Very high	96.7	Very high	27 Å²	27	47.9 Å²	47.9	13%	0.133	25%	0.25	C	S	.	.			trans	-121.2	140.9	-176.3	-64.4	-168.7	-173	0	0	113.6	I94 P95 Y101 R697	I94-M98 HydrophobicContact CG2-CB 4.36Å; I94-M98 VanDerWaalsContact CG2-O 3.25Å; I94-M98 WeakPolarHBondContact CG2-O 3.15Å; P95-M98 HydrophobicContact CB-CB 4.38Å; P95-M98 HydrophobicContact CB-CG 4.22Å; P95-M98 HydrophobicContact CB-SD 4.47Å; P95-M98 HydrophobicContact CG-CG 4.5Å; P95-M98 HydrophobicContact CG-SD 4.15Å; P95-M98 PolarHBondContact O-N 3.04Å; P95-M98 VanDerWaalsContact O-N 3.15Å; M98-Y101 HydrophobicContact SD-CD2 3.64Å; M98-Y101 HydrophobicContact SD-CE2 4.03Å; M98-R697 PolarHBondContact O-NE 2.82Å
99	P	96.6	Very high	96.7	Very high	43 Å²	43	49 Å²	49	28%	0.279	26%	0.256	S	S	.	.	S	Bend	trans	-77.5	-22.6	175.6	30.3	-34.6	0	0	0	113.1	Q394 T396 R697 A700	P99-Q394 HydrophobicContact CB-CB 4.27Å; P99-T396 HydrophobicContact CB-CG2 4.27Å; P99-R697 WeakPolarHBondContact O-CB 3.49Å; P99-R697 WeakPolarHBondContact O-CG 3.31Å; P99-R697 PolarHBondContact O-N 3.35Å; P99-A700 HydrophobicContact CB-CB 3.68Å; P99-A700 WeakPolarHBondContact O-CB 3.24Å
100	S	97.1	Very high	96.7	Very high	22 Å²	22	49 Å²	49	15%	0.154	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	151	-179.9	62.7	0	0	0	0	110	S695	S100-S695 CarbonylContact C-O 3.25Å; S100-S695 WeakPolarHBondContact CA-O 3.5Å; S100-S695 WeakPolarHBondContact CB-O 3.5Å
101	Y	97.7	Very high	96.8	Very high	29 Å²	29	44.5 Å²	44.5	11%	0.114	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	131.2	176.2	-162.7	-119.8	0	0	0	111.9	W88 N92 P95 M98 P105 W106 N694 S695	W88-Y101 AromaticContact CH2-CD1 3.93Å; W88-Y101 HydrophobicContact CH2-CD1 3.93Å; W88-Y101 HydrophobicContact CH2-CE1 4.14Å; N92-Y101 HydrophobicContact CB-CD1 4.11Å; N92-Y101 HydrophobicContact CB-CE1 3.99Å; P95-Y101 VanDerWaalsContact CD-CG 3.47Å; P95-Y101 HydrophobicContact CG-CD1 4.47Å; P95-Y101 HydrophobicContact CG-CD2 4.1Å; P95-Y101 HydrophobicContact CG-CE2 4.25Å; P95-Y101 HydrophobicContact CG-CG 4.21Å; M98-Y101 HydrophobicContact SD-CD2 3.64Å; M98-Y101 HydrophobicContact SD-CE2 4.03Å; Y101-P105 HydrophobicContact CD2-CB 4.07Å; Y101-P105 HydrophobicContact CE2-CB 4.49Å; Y101-W106 HydrophobicContact CE2-CB 4.38Å; Y101-N694 PolarHBondContact N-OD1 3.07Å; Y101-N694 PolarHBondContact O-OD1 3.37Å; Y101-S695 PolarHBondContact N-O 2.93Å; Y101-S695 PolarHBondContact O-N 3.23Å; Y101-S695 PolarHBondContact O-OG 3.23Å; Y101-S695 VanDerWaalsContact O-OG 3.06Å
102	G	97.1	Very high	96.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	179.3	-167.4	0	0	0	0	0	111.2	W88 Y104 P105 W106 C693 N694	W88-G102 VanDerWaalsContact CZ3-CA 3.47Å; G102-Y104 VanDerWaalsContact C-N 3.33Å; G102-Y104 PolarHBondContact O-N 3.49Å; G102-P105 WeakPolarHBondContact O-CD 3.3Å; G102-W106 VanDerWaalsContact O-CB 3.25Å; G102-W106 WeakPolarHBondContact O-CB 3.3Å; G102-W106 PolarHBondContact O-N 3.33Å; G102-C693 CarbonylContact C-O 3.43Å; G102-C693 WeakPolarHBondContact CA-O 3.46Å; G102-N694 WeakPolarHBondContact CA-OD1 3.42Å; G102-N694 PolarHBondContact N-OD1 3.44Å
103	V	96.9	Very high	96.9	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-62.7	-37.6	-178.8	173.9	0	0	0	0	112.5	W88 L107 P558 F559 H690 C693	W88-V103 HydrophobicContact CD2-CG2 4.18Å; W88-V103 HydrophobicContact CZ2-CG2 4.05Å; V103-L107 WeakPolarHBondContact O-CB 3.42Å; V103-L107 PolarHBondContact O-N 3.04Å; V103-P558 HydrophobicContact CG1-CG 3.47Å; V103-P558 VanDerWaalsContact CG1-CG 3.47Å; V103-F559 HydrophobicContact CG1-CE2 3.71Å; V103-F559 HydrophobicContact CG1-CZ 3.85Å; V103-H690 VanDerWaalsContact CG2-O 3.28Å; V103-H690 WeakPolarHBondContact CG2-O 3.47Å; V103-C693 HydrophobicContact CG2-CB 4.14Å; V103-C693 PolarHBondContact N-O 3.48Å
104	Y	96	Very high	97	Very high	55 Å²	55	39.1 Å²	39.1	22%	0.216	19%	0.188	C	C	.	.	H	α-helix	trans	-63.9	-56.1	173	-89.2	-82.4	0	0	0	112.7	G102 W106 L107 R108 V537 E554 F559 V691	G102-Y104 VanDerWaalsContact C-N 3.33Å; G102-Y104 PolarHBondContact O-N 3.49Å; Y104-W106 VanDerWaalsContact C-N 3.29Å; Y104-W106 PolarHBondContact O-N 3.04Å; Y104-L107 PolarHBondContact O-N 3.17Å; Y104-R108 PolarHBondContact O-N 3.24Å; Y104-V537 HydrophobicContact CD1-CG1 4.09Å; Y104-E554 WeakPolarHBondContact CE1-OE1 3.01Å; Y104-E554 PolarHBondContact OH-OE1 3.31Å; Y104-E554 VanDerWaalsContact OH-OE1 3.09Å; Y104-F559 HydrophobicContact CD1-CE1 4.22Å; Y104-F559 AromaticContact CD1-CZ 3.85Å; Y104-F559 HydrophobicContact CD1-CZ 3.85Å; Y104-F559 AromaticContact CD2-CE1 3.94Å; Y104-F559 HydrophobicContact CD2-CE1 3.94Å; Y104-F559 AromaticContact CD2-CZ 3.7Å; Y104-F559 HydrophobicContact CD2-CZ 3.7Å; Y104-F559 AromaticContact CE1-CE1 3.71Å; Y104-F559 HydrophobicContact CE1-CE1 3.71Å; Y104-F559 AromaticContact CE1-CZ 3.82Å; Y104-F559 HydrophobicContact CE1-CZ 3.82Å; Y104-F559 AromaticContact CE2-CE1 3.42Å; Y104-F559 HydrophobicContact CE2-CE1 3.42Å; Y104-F559 VanDerWaalsContact CE2-CE1 3.42Å; Y104-F559 AromaticContact CE2-CZ 3.7Å; Y104-F559 HydrophobicContact CE2-CZ 3.7Å; Y104-F559 HydrophobicContact CG-CE1 4.31Å; Y104-F559 AromaticContact CG-CZ 3.78Å; Y104-F559 HydrophobicContact CG-CZ 3.78Å; Y104-F559 AromaticContact CZ-CE1 3.27Å; Y104-F559 AromaticContact CZ-CZ 3.75Å; Y104-F559 WeakPolarHBondContact OH-CE1 3.49Å; Y104-V691 WeakPolarHBondContact CD2-O 3.34Å; Y104-V691 WeakPolarHBondContact CE2-O 3.39Å
105	P	96.1	Very high	97	Very high	29 Å²	29	37.6 Å²	37.6	19%	0.188	18%	0.18	C	C	.	.	H	α-helix	trans	-54.2	-40.9	172.9	-29.2	34.3	0	0	0	114.2	Y101 G102 R108 H109	Y101-P105 HydrophobicContact CD2-CB 4.07Å; Y101-P105 HydrophobicContact CE2-CB 4.49Å; G102-P105 WeakPolarHBondContact O-CD 3.3Å; P105-R108 PolarHBondContact O-N 2.89Å; P105-H109 WeakPolarHBondContact O-CB 3.43Å; P105-H109 PolarHBondContact O-N 3.47Å
106	W	97.1	Very high	97.1	Very high	84 Å²	84	38.1 Å²	38.1	32%	0.318	18%	0.178	S	C	.	.	H	α-helix	trans	-61.3	-46.3	177	171.5	85.4	0	0	0	112	W88 Y101 G102 Y104 H109 N110	W88-W106 HydrophobicContact CZ2-CB 4.38Å; Y101-W106 HydrophobicContact CE2-CB 4.38Å; G102-W106 VanDerWaalsContact O-CB 3.25Å; G102-W106 WeakPolarHBondContact O-CB 3.3Å; G102-W106 PolarHBondContact O-N 3.33Å; Y104-W106 VanDerWaalsContact C-N 3.29Å; Y104-W106 PolarHBondContact O-N 3.04Å; W106-H109 PolarHBondContact O-N 3.45Å; W106-N110 VanDerWaalsContact CH2-ND2 3.26Å; W106-N110 WeakPolarHBondContact CH2-ND2 3.47Å; W106-N110 WeakPolarHBondContact CZ2-ND2 3.48Å; W106-N110 PolarHBondContact O-N 2.93Å
107	L	96.8	Very high	97.1	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-68.1	-38.2	178.9	179.3	59.3	0	0	0	111.6	V103 Y104 N110 V111 V537 Q556 F559	V103-L107 WeakPolarHBondContact O-CB 3.42Å; V103-L107 PolarHBondContact O-N 3.04Å; Y104-L107 PolarHBondContact O-N 3.17Å; L107-N110 PolarHBondContact O-N 3.28Å; L107-V111 PolarHBondContact O-N 3.34Å; L107-V537 HydrophobicContact CB-CG1 4Å; L107-V537 HydrophobicContact CD2-CG1 3.6Å; L107-V537 HydrophobicContact CD2-CG2 4.46Å; L107-V537 HydrophobicContact CG-CG1 3.77Å; L107-V537 HydrophobicContact CG-CG2 4.02Å; L107-Q556 HydrophobicContact CD1-CB 3.9Å; L107-Q556 HydrophobicContact CD2-CB 4.25Å; L107-F559 HydrophobicContact CB-CE2 4.13Å; L107-F559 HydrophobicContact CD2-CD2 3.33Å; L107-F559 HydrophobicContact CD2-CE2 3.55Å; L107-F559 HydrophobicContact CD2-CG 4.41Å; L107-F559 HydrophobicContact CG-CE2 4.48Å
108	R	96.9	Very high	97.3	Very high	115 Å²	115	37.7 Å²	37.7	43%	0.434	18%	0.176	S	C	.	.	H	α-helix	trans	-56.2	-51.7	171.6	173.1	175.8	-87.6	128	-2.2	110.3	Y104 P105 N110 V111 D112 V537	Y104-R108 PolarHBondContact O-N 3.24Å; P105-R108 PolarHBondContact O-N 2.89Å; R108-N110 VanDerWaalsContact C-N 3.26Å; R108-N110 PolarHBondContact O-N 3.08Å; R108-V111 WeakPolarHBondContact O-CA 3.5Å; R108-V111 WeakPolarHBondContact O-CB 3.2Å; R108-V111 PolarHBondContact O-N 2.97Å; R108-D112 PolarHBondContact O-N 3.28Å; R108-V537 HydrophobicContact CB-CB 4.42Å; R108-V537 HydrophobicContact CB-CG2 4.25Å
109	H	96.4	Very high	97.3	Very high	45 Å²	45	36.6 Å²	36.6	21%	0.208	17%	0.171	C	C	.	.	H	α-helix	trans	-57.3	-38.2	178.5	-171.7	73.7	0	0	0	112.9	P105 W106 D112 L113 W403 D404	P105-H109 WeakPolarHBondContact O-CB 3.43Å; P105-H109 PolarHBondContact O-N 3.47Å; W106-H109 PolarHBondContact O-N 3.45Å; H109-D112 WeakPolarHBondContact O-CB 3.25Å; H109-D112 PolarHBondContact O-N 2.74Å; H109-L113 WeakPolarHBondContact O-CG 3.47Å; H109-L113 PolarHBondContact O-N 3.3Å; H109-W403 AromaticContact CE1-CH2 3.45Å; H109-W403 VanDerWaalsContact CE1-CH2 3.45Å; H109-W403 WeakPolarHBondContact CE1-CH2 3.36Å; H109-W403 AromaticContact CE1-CZ2 3.6Å; H109-W403 AromaticContact ND1-CH2 3.98Å; H109-D404 IonicContact ND1-OD2 2.77Å
110	N	97	Very high	97.4	Very high	41 Å²	41	39.1 Å²	39.1	22%	0.219	18%	0.178	C	C	.	.	H	α-helix	trans	-67.1	-35.3	174.9	-73.7	-22.7	0	0	0	113.5	W106 L107 R108 D112 K114	W106-N110 VanDerWaalsContact CH2-ND2 3.26Å; W106-N110 WeakPolarHBondContact CH2-ND2 3.47Å; W106-N110 WeakPolarHBondContact CZ2-ND2 3.48Å; W106-N110 PolarHBondContact O-N 2.93Å; L107-N110 PolarHBondContact O-N 3.28Å; R108-N110 VanDerWaalsContact C-N 3.26Å; R108-N110 PolarHBondContact O-N 3.08Å; N110-D112 VanDerWaalsContact C-N 3.34Å; N110-K114 WeakPolarHBondContact O-CG 3.44Å; N110-K114 PolarHBondContact O-N 3.17Å
111	V	97.8	Very high	97.3	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-64.8	-43	170.4	171.1	0	0	0	0	110	L107 R108 L113 K114 L115 F422 V537	L107-V111 PolarHBondContact O-N 3.34Å; R108-V111 WeakPolarHBondContact O-CA 3.5Å; R108-V111 WeakPolarHBondContact O-CB 3.2Å; R108-V111 PolarHBondContact O-N 2.97Å; V111-L113 VanDerWaalsContact C-N 3.32Å; V111-L113 PolarHBondContact O-N 3.37Å; V111-K114 WeakPolarHBondContact O-CB 3.47Å; V111-K114 PolarHBondContact O-N 3.42Å; V111-K114 VanDerWaalsContact O-N 3.11Å; V111-L115 HydrophobicContact CG1-CD1 4.36Å; V111-L115 HydrophobicContact CG1-CG 4.49Å; V111-L115 PolarHBondContact O-N 3.23Å; V111-F422 HydrophobicContact CB-CE2 4.44Å; V111-F422 HydrophobicContact CG1-CD2 4.22Å; V111-F422 HydrophobicContact CG1-CE2 3.89Å; V111-F422 HydrophobicContact CG1-CZ 4.46Å; V111-F422 HydrophobicContact CG2-CE2 4.2Å; V111-F422 HydrophobicContact CG2-CZ 4.25Å; V111-V537 HydrophobicContact CB-CG2 4.42Å; V111-V537 HydrophobicContact CG2-CG2 3.82Å
112	D	97.8	Very high	97.2	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.032	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-38.1	-179.8	-56	-18.3	0	0	0	111.4	R108 H109 N110 L115 K116 W403 V407	R108-D112 PolarHBondContact O-N 3.28Å; H109-D112 WeakPolarHBondContact O-CB 3.25Å; H109-D112 PolarHBondContact O-N 2.74Å; N110-D112 VanDerWaalsContact C-N 3.34Å; D112-L115 PolarHBondContact O-N 3.4Å; D112-K116 WeakPolarHBondContact O-CB 3.22Å; D112-K116 PolarHBondContact O-N 2.83Å; D112-W403 HydrophobicContact CB-CZ3 4.16Å; D112-V407 HydrophobicContact CB-CG1 3.95Å
113	L	98	Very high	97.1	Very high	70 Å²	70	48.7 Å²	48.7	37%	0.366	23%	0.232	S	C	.	.	H	α-helix	trans	-63.3	-39.2	173.3	-75	171.7	0	0	0	112.7	H109 V111 K116 E117 W403	H109-L113 WeakPolarHBondContact O-CG 3.47Å; H109-L113 PolarHBondContact O-N 3.3Å; V111-L113 VanDerWaalsContact C-N 3.32Å; V111-L113 PolarHBondContact O-N 3.37Å; L113-K116 HydrophobicContact CD2-CD 4.41Å; L113-K116 WeakPolarHBondContact O-CB 3.41Å; L113-K116 PolarHBondContact O-N 2.8Å; L113-E117 PolarHBondContact O-N 3.06Å; L113-W403 HydrophobicContact CD2-CH2 3.52Å; L113-W403 HydrophobicContact CD2-CZ2 3.79Å; L113-W403 HydrophobicContact CD2-CZ3 4.18Å; L113-W403 HydrophobicContact CG-CH2 3.98Å
114	K	98.1	Very high	96.9	Very high	60 Å²	60	49.8 Å²	49.8	26%	0.261	24%	0.24	S	C	.	.	H	α-helix	trans	-66	-43.7	174.3	-72.1	171	-179.2	-174	0	111	N110 V111 K116 E117 L118 F422	N110-K114 WeakPolarHBondContact O-CG 3.44Å; N110-K114 PolarHBondContact O-N 3.17Å; V111-K114 WeakPolarHBondContact O-CB 3.47Å; V111-K114 PolarHBondContact O-N 3.42Å; V111-K114 VanDerWaalsContact O-N 3.11Å; K114-K116 PolarHBondContact O-N 3.24Å; K114-E117 WeakPolarHBondContact O-CB 3.35Å; K114-E117 PolarHBondContact O-N 3.03Å; K114-L118 WeakPolarHBondContact O-CG 3.36Å; K114-L118 PolarHBondContact O-N 3.29Å; K114-L118 VanDerWaalsContact O-N 3.1Å; K114-F422 HydrophobicContact CB-CD2 4.46Å; K114-F422 HydrophobicContact CB-CE2 4.27Å; K114-F422 HydrophobicContact CD-CE2 3.88Å
115	L	98.3	Very high	96.6	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-42.1	175.1	-72	-178.8	0	0	0	112.3	V111 D112 E117 L118 L119 V407 E411 V418 F422 T535	V111-L115 HydrophobicContact CG1-CD1 4.36Å; V111-L115 HydrophobicContact CG1-CG 4.49Å; V111-L115 PolarHBondContact O-N 3.23Å; D112-L115 PolarHBondContact O-N 3.4Å; L115-E117 VanDerWaalsContact C-N 3.32Å; L115-E117 PolarHBondContact O-N 3.21Å; L115-L118 PolarHBondContact O-N 3.04Å; L115-L118 VanDerWaalsContact O-N 3.15Å; L115-L119 WeakPolarHBondContact O-CB 3.25Å; L115-L119 VanDerWaalsContact O-CG 3.27Å; L115-L119 WeakPolarHBondContact O-CG 3.41Å; L115-L119 PolarHBondContact O-N 3.44Å; L115-V407 HydrophobicContact CB-CG1 3.84Å; L115-V407 HydrophobicContact CD1-CG1 3.96Å; L115-E411 HydrophobicContact CD1-CG 3.49Å; L115-E411 VanDerWaalsContact CD1-CG 3.49Å; L115-E411 WeakPolarHBondContact CD1-OE1 3.29Å; L115-V418 HydrophobicContact CD2-CB 4.07Å; L115-F422 HydrophobicContact CD2-CB 3.97Å; L115-F422 HydrophobicContact CD2-CD2 4.31Å; L115-T535 HydrophobicContact CD1-CG2 4.01Å; L115-T535 HydrophobicContact CD2-CG2 4.1Å; L115-T535 HydrophobicContact CG-CG2 4.46Å
116	K	98.4	Very high	96.3	Very high	48 Å²	48	67.2 Å²	67.2	21%	0.209	30%	0.302	C	S	.	.	H	α-helix	trans	-53.1	-50.5	172.4	178.6	-168.2	-173.5	-75.7	0	110.7	D112 L113 K114 L118 L119 E120 W403 V407	D112-K116 WeakPolarHBondContact O-CB 3.22Å; D112-K116 PolarHBondContact O-N 2.83Å; L113-K116 HydrophobicContact CD2-CD 4.41Å; L113-K116 WeakPolarHBondContact O-CB 3.41Å; L113-K116 PolarHBondContact O-N 2.8Å; K114-K116 PolarHBondContact O-N 3.24Å; K116-L118 VanDerWaalsContact C-N 3.28Å; K116-L118 PolarHBondContact O-N 3.32Å; K116-L119 PolarHBondContact O-N 3.2Å; K116-E120 WeakPolarHBondContact CE-OE1 3.35Å; K116-E120 HydrophobicContact CG-CG 4.37Å; K116-E120 WeakPolarHBondContact CG-OE1 3.26Å; K116-E120 IonicContact NZ-OE1 3.52Å; K116-E120 PolarHBondContact NZ-OE1 3.15Å; K116-E120 IonicContact NZ-OE2 3.93Å; K116-E120 PolarHBondContact NZ-OE2 2.9Å; K116-E120 WeakPolarHBondContact O-CB 3.5Å; K116-E120 WeakPolarHBondContact O-CG 3.35Å; K116-E120 PolarHBondContact O-N 3.3Å; K116-W403 HydrophobicContact CB-CE3 4.01Å; K116-W403 HydrophobicContact CB-CZ3 4.3Å; K116-W403 HydrophobicContact CD-CB 4.3Å; K116-W403 HydrophobicContact CD-CD2 3.61Å; K116-W403 HydrophobicContact CD-CE3 3.55Å; K116-W403 HydrophobicContact CD-CG 3.96Å; K116-W403 HydrophobicContact CD-CZ3 4.12Å; K116-W403 HydrophobicContact CG-CD2 4.4Å; K116-W403 HydrophobicContact CG-CE3 4.02Å; K116-V407 HydrophobicContact CB-CG2 4.05Å
117	E	98.2	Very high	96	Very high	101 Å²	101	72 Å²	72	47%	0.472	32%	0.32	S	S	.	.	H	α-helix	trans	-57.7	-41.5	178.3	-165.7	-150.4	126.6	0	0	112	L113 K114 L115 K121	L113-E117 PolarHBondContact O-N 3.06Å; K114-E117 WeakPolarHBondContact O-CB 3.35Å; K114-E117 PolarHBondContact O-N 3.03Å; L115-E117 VanDerWaalsContact C-N 3.32Å; L115-E117 PolarHBondContact O-N 3.21Å; E117-K121 WeakPolarHBondContact O-CG 3.25Å; E117-K121 WeakPolarHBondContact OE1-CE 3.47Å; E117-K121 IonicContact OE1-NZ 3.2Å; E117-K121 PolarHBondContact OE1-NZ 2.88Å
118	L	97.9	Very high	95.9	Very high	11 Å²	11	73.1 Å²	73.1	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-71.1	-37.3	179.4	-63.2	172.5	0	0	0	112.9	K114 L115 K116 M421 V425	K114-L118 WeakPolarHBondContact O-CG 3.36Å; K114-L118 PolarHBondContact O-N 3.29Å; K114-L118 VanDerWaalsContact O-N 3.1Å; L115-L118 PolarHBondContact O-N 3.04Å; L115-L118 VanDerWaalsContact O-N 3.15Å; K116-L118 VanDerWaalsContact C-N 3.28Å; K116-L118 PolarHBondContact O-N 3.32Å; L118-M421 HydrophobicContact CB-CE 3.82Å; L118-M421 HydrophobicContact CD1-CB 4.23Å; L118-M421 WeakPolarHBondContact CD1-O 3.4Å; L118-V425 HydrophobicContact CD2-CB 4.33Å; L118-V425 HydrophobicContact CD2-CG1 4.38Å; L118-V425 HydrophobicContact CD2-CG2 3.88Å
119	L	98.1	Very high	95.7	Very high	5 Å²	5	69 Å²	69	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-76.9	-28.2	-179.5	-70.7	166.8	0	0	0	112.9	L115 K116 K121 A135 Y139 V407 I410 V418 M421	L115-L119 WeakPolarHBondContact O-CB 3.25Å; L115-L119 VanDerWaalsContact O-CG 3.27Å; L115-L119 WeakPolarHBondContact O-CG 3.41Å; L115-L119 PolarHBondContact O-N 3.44Å; K116-L119 PolarHBondContact O-N 3.2Å; L119-K121 VanDerWaalsContact C-N 3.33Å; L119-A135 HydrophobicContact CD2-CB 4.18Å; L119-Y139 HydrophobicContact CB-CD1 3.87Å; L119-Y139 HydrophobicContact CB-CD2 4.08Å; L119-Y139 HydrophobicContact CB-CE1 4.25Å; L119-Y139 HydrophobicContact CB-CE2 4.45Å; L119-Y139 HydrophobicContact CB-CG 3.78Å; L119-Y139 HydrophobicContact CD1-CD2 3.86Å; L119-Y139 HydrophobicContact CD1-CE2 4.4Å; L119-Y139 HydrophobicContact CD1-CG 4.23Å; L119-Y139 HydrophobicContact CG-CG 4.45Å; L119-V407 HydrophobicContact CD1-CG2 4.24Å; L119-I410 HydrophobicContact CD1-CG2 4.39Å; L119-I410 HydrophobicContact CD2-CG2 4.39Å; L119-V418 HydrophobicContact CD2-CG1 4.42Å; L119-M421 HydrophobicContact CD2-CE 4.08Å; L119-M421 HydrophobicContact CD2-SD 4.45Å; L119-M421 HydrophobicContact CG-CE 4.46Å
120	E	97.2	Very high	95.6	Very high	95 Å²	95	71.6 Å²	71.6	44%	0.444	33%	0.325	S	S	.	.	H	α-helix	trans	-78.3	-14.4	177.2	-76.2	177.5	174.7	0	0	113.5	K116 S122 Y139	K116-E120 WeakPolarHBondContact CE-OE1 3.35Å; K116-E120 HydrophobicContact CG-CG 4.37Å; K116-E120 WeakPolarHBondContact CG-OE1 3.26Å; K116-E120 IonicContact NZ-OE1 3.52Å; K116-E120 PolarHBondContact NZ-OE1 3.15Å; K116-E120 IonicContact NZ-OE2 3.93Å; K116-E120 PolarHBondContact NZ-OE2 2.9Å; K116-E120 WeakPolarHBondContact O-CB 3.5Å; K116-E120 WeakPolarHBondContact O-CG 3.35Å; K116-E120 PolarHBondContact O-N 3.3Å; E120-S122 PolarHBondContact O-N 3.2Å; E120-Y139 HydrophobicContact CG-CE1 3.55Å; E120-Y139 PolarHBondContact OE1-OH 2.86Å
121	K	96.1	Very high	95.6	Very high	96 Å²	96	69.7 Å²	69.7	42%	0.417	32%	0.315	S	S	.	.	S	Bend	trans	-63.4	136.2	174.3	-75.1	168.7	-169.3	173.3	0	110.3	E117 L119 K136	E117-K121 WeakPolarHBondContact O-CG 3.25Å; E117-K121 WeakPolarHBondContact OE1-CE 3.47Å; E117-K121 IonicContact OE1-NZ 3.2Å; E117-K121 PolarHBondContact OE1-NZ 2.88Å; L119-K121 VanDerWaalsContact C-N 3.33Å; K121-K136 WeakPolarHBondContact O-CD 3.48Å; K121-K136 WeakPolarHBondContact O-CE 3.45Å; K121-K136 PolarHBondContact O-NZ 2.92Å
122	S	94.5	Very high	95.5	Very high	95 Å²	95	70.6 Å²	70.6	66%	0.664	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-54	144.8	-179.7	60.6	0	0	0	0	112.3	E120 S124 K136	E120-S122 PolarHBondContact O-N 3.2Å; S122-S124 PolarHBondContact O-N 2.86Å; S122-K136 PolarHBondContact O-NZ 3.47Å
123	I	95.3	Very high	95.4	Very high	61 Å²	61	72.5 Å²	72.5	31%	0.313	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-69.8	122.5	178.4	-59.3	177.3	0	0	0	108.6	D128 Q133 K136 I137	I123-D128 WeakPolarHBondContact CA-OD2 3.33Å; I123-Q133 HydrophobicContact CG2-CB 4.12Å; I123-Q133 HydrophobicContact CG2-CG 3.75Å; I123-K136 HydrophobicContact CD1-CB 4Å; I123-K136 HydrophobicContact CG1-CB 3.72Å; I123-K136 HydrophobicContact CG1-CD 3.89Å; I123-K136 HydrophobicContact CG1-CG 4.48Å; I123-I137 HydrophobicContact CD1-CG1 3.66Å
124	S	93.8	Very high	95.3	Very high	25 Å²	25	69.9 Å²	69.9	18%	0.175	31%	0.314	C	S	.	.			trans	-114.9	105.1	179.8	-174.7	0	0	0	0	110.5	S122 R126 R127 D128	S122-S124 PolarHBondContact O-N 2.86Å; S124-R126 PolarHBondContact O-N 2.9Å; S124-R127 PolarHBondContact O-N 3.39Å; S124-R127 VanDerWaalsContact O-N 3.08Å; S124-D128 PolarHBondContact N-OD2 3.3Å; S124-D128 WeakPolarHBondContact O-CB 3.39Å; S124-D128 PolarHBondContact O-N 3.23Å
125	R	89.5	Confident	95.3	Very high	228 Å²	228	67 Å²	67	86%	0.86	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-21.4	178.2	-68.6	-174.6	179.3	163.1	1.4	114.6
126	R	90.1	Very high	95.3	Very high	223 Å²	223	67.7 Å²	67.7	84%	0.842	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-32.4	178.7	-166.9	-178.5	80.5	99.8	-3.1	113	S124	S124-R126 PolarHBondContact O-N 2.9Å
127	R	89.9	Confident	95.2	Very high	185 Å²	185	67 Å²	67	70%	0.698	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-34.8	-171.2	-66.5	-173.6	-68.1	-162.1	1.4	113.3	S124	S124-R127 PolarHBondContact O-N 3.39Å; S124-R127 VanDerWaalsContact O-N 3.08Å
128	D	94.3	Very high	95.2	Very high	25 Å²	25	62.1 Å²	62.1	13%	0.134	28%	0.28	C	S	.	.	S	Bend	trans	-84.2	129.5	-178.6	-63	-22.8	0	0	0	109.7	I123 S124 I132 Q133 K136	I123-D128 WeakPolarHBondContact CA-OD2 3.33Å; S124-D128 PolarHBondContact N-OD2 3.3Å; S124-D128 WeakPolarHBondContact O-CB 3.39Å; S124-D128 PolarHBondContact O-N 3.23Å; D128-I132 HydrophobicContact CB-CB 4.15Å; D128-I132 HydrophobicContact CB-CG2 3.83Å; D128-Q133 HydrophobicContact CB-CG 3.65Å; D128-Q133 PolarHBondContact O-NE2 3.36Å; D128-K136 VanDerWaalsContact CG-NZ 3.3Å; D128-K136 IonicContact OD1-NZ 3.41Å; D128-K136 PolarHBondContact OD1-NZ 3.09Å; D128-K136 VanDerWaalsContact OD1-NZ 3.14Å; D128-K136 IonicContact OD2-NZ 3.18Å; D128-K136 PolarHBondContact OD2-NZ 2.93Å
129	T	94.1	Very high	95.2	Very high	28 Å²	28	62 Å²	62	17%	0.172	28%	0.279	C	S	.	.			trans	-63.5	160	167.5	64.9	0	0	0	0	110.6	A131 I132 Q133 D485	T129-A131 PolarHBondContact O-N 3.03Å; T129-I132 PolarHBondContact O-N 3.11Å; T129-I132 WeakPolarHBondContact OG1-CG1 3.5Å; T129-I132 PolarHBondContact OG1-N 3.19Å; T129-Q133 WeakPolarHBondContact O-CG 3.43Å; T129-Q133 PolarHBondContact O-N 3.35Å; T129-D485 HydrophobicContact CG2-CB 4.23Å
130	E	94	Very high	95.2	Very high	100 Å²	100	64.2 Å²	64.2	47%	0.467	30%	0.295	S	S	.	.	H	α-helix	trans	-55.2	-40.6	178.4	-169.7	-171.2	152.3	0	0	111.7	Q133 K134	E130-Q133 PolarHBondContact O-N 3.24Å; E130-K134 WeakPolarHBondContact O-CG 3.41Å; E130-K134 PolarHBondContact O-N 2.91Å; E130-K134 WeakPolarHBondContact OE1-CE 3.47Å; E130-K134 IonicContact OE1-NZ 2.76Å; E130-K134 PolarHBondContact OE1-NZ 3.27Å
131	A	95.3	Very high	95.2	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-59.3	-46	174.7	0	0	0	0	0	113.1	T129 K134 A135 V417 V488 N489 L492	T129-A131 PolarHBondContact O-N 3.03Å; A131-K134 WeakPolarHBondContact O-CB 3.3Å; A131-K134 PolarHBondContact O-N 2.75Å; A131-A135 PolarHBondContact O-N 3.48Å; A131-V417 HydrophobicContact CB-CG1 4.18Å; A131-V417 HydrophobicContact CB-CG2 3.96Å; A131-V488 HydrophobicContact CB-CG1 3.71Å; A131-N489 WeakPolarHBondContact CB-OD1 3.22Å; A131-N489 PolarHBondContact N-OD1 2.9Å; A131-L492 HydrophobicContact CB-CD1 3.97Å
132	I	96.1	Very high	95.3	Very high	20 Å²	20	55.2 Å²	55.2	10%	0.103	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-41.5	177.2	-68.5	172	0	0	0	110.6	D128 T129 K134 A135 K136 V417 M421	D128-I132 HydrophobicContact CB-CB 4.15Å; D128-I132 HydrophobicContact CB-CG2 3.83Å; T129-I132 PolarHBondContact O-N 3.11Å; T129-I132 WeakPolarHBondContact OG1-CG1 3.5Å; T129-I132 PolarHBondContact OG1-N 3.19Å; I132-K134 VanDerWaalsContact C-N 3.3Å; I132-K134 PolarHBondContact O-N 3.38Å; I132-A135 PolarHBondContact O-N 2.76Å; I132-K136 HydrophobicContact CG2-CD 4.28Å; I132-K136 WeakPolarHBondContact O-CG 3.12Å; I132-K136 PolarHBondContact O-N 3.08Å; I132-V417 HydrophobicContact CG1-CG1 4.22Å; I132-M421 HydrophobicContact CD1-CG 4.15Å; I132-M421 HydrophobicContact CG1-CG 3.91Å; I132-M421 HydrophobicContact CG1-SD 4.16Å; I132-M421 HydrophobicContact CG2-CE 4.32Å; I132-M421 HydrophobicContact CG2-SD 4.08Å
133	Q	96.1	Very high	95.5	Very high	45 Å²	45	53.5 Å²	53.5	21%	0.21	24%	0.237	C	C	.	.	H	α-helix	trans	-58.7	-43.9	174.9	-62.3	178.6	38.4	0	0	110.7	I123 D128 T129 E130 A135 K136 I137	I123-Q133 HydrophobicContact CG2-CB 4.12Å; I123-Q133 HydrophobicContact CG2-CG 3.75Å; D128-Q133 HydrophobicContact CB-CG 3.65Å; D128-Q133 PolarHBondContact O-NE2 3.36Å; T129-Q133 WeakPolarHBondContact O-CG 3.43Å; T129-Q133 PolarHBondContact O-N 3.35Å; E130-Q133 PolarHBondContact O-N 3.24Å; Q133-A135 PolarHBondContact O-N 2.92Å; Q133-K136 PolarHBondContact O-N 3.4Å; Q133-I137 WeakPolarHBondContact O-CB 3.43Å; Q133-I137 VanDerWaalsContact O-CG1 3.24Å; Q133-I137 WeakPolarHBondContact O-CG1 3.48Å; Q133-I137 PolarHBondContact O-N 2.77Å
134	K	96.4	Very high	95.6	Very high	15 Å²	15	53.8 Å²	53.8	7%	0.065	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-43.2	175.6	-76.3	174.1	-176.9	170.3	0	112.6	E130 A131 I132 I137 L138 L492 I495 F497	E130-K134 WeakPolarHBondContact O-CG 3.41Å; E130-K134 PolarHBondContact O-N 2.91Å; E130-K134 WeakPolarHBondContact OE1-CE 3.47Å; E130-K134 IonicContact OE1-NZ 2.76Å; E130-K134 PolarHBondContact OE1-NZ 3.27Å; A131-K134 WeakPolarHBondContact O-CB 3.3Å; A131-K134 PolarHBondContact O-N 2.75Å; I132-K134 VanDerWaalsContact C-N 3.3Å; I132-K134 PolarHBondContact O-N 3.38Å; K134-I137 PolarHBondContact O-N 3.19Å; K134-L138 WeakPolarHBondContact O-CB 3.49Å; K134-L138 PolarHBondContact O-N 3.28Å; K134-L492 HydrophobicContact CD-CB 4.25Å; K134-L492 PolarHBondContact NZ-O 3.27Å; K134-I495 WeakPolarHBondContact CE-O 3.38Å; K134-I495 PolarHBondContact NZ-O 2.85Å; K134-F497 HydrophobicContact CB-CD2 3.94Å; K134-F497 HydrophobicContact CB-CE2 4.3Å; K134-F497 HydrophobicContact CG-CD2 4.37Å
135	A	97.2	Very high	95.7	Very high	0 Å²	0	56 Å²	56	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-44.4	176.9	0	0	0	0	0	112.1	L119 A131 I132 Q133 L138 Y139 I410 L414 V417 M421	L119-A135 HydrophobicContact CD2-CB 4.18Å; A131-A135 PolarHBondContact O-N 3.48Å; I132-A135 PolarHBondContact O-N 2.76Å; Q133-A135 PolarHBondContact O-N 2.92Å; A135-L138 PolarHBondContact O-N 3.38Å; A135-Y139 WeakPolarHBondContact O-CB 3.31Å; A135-Y139 PolarHBondContact O-N 3.25Å; A135-I410 HydrophobicContact CB-CG2 4.43Å; A135-L414 HydrophobicContact CB-CD1 3.91Å; A135-V417 HydrophobicContact CB-CG1 3.87Å; A135-M421 HydrophobicContact CB-SD 4.46Å
136	K	97.9	Very high	96.1	Very high	14 Å²	14	54 Å²	54	6%	0.061	24%	0.244	C	C	.	.	H	α-helix	trans	-66.1	-40.4	176.5	-69.4	179.5	176	179.5	0	112.9	K121 S122 I123 D128 I132 Q133 L138 Y139 S140	K121-K136 WeakPolarHBondContact O-CD 3.48Å; K121-K136 WeakPolarHBondContact O-CE 3.45Å; K121-K136 PolarHBondContact O-NZ 2.92Å; S122-K136 PolarHBondContact O-NZ 3.47Å; I123-K136 HydrophobicContact CD1-CB 4Å; I123-K136 HydrophobicContact CG1-CB 3.72Å; I123-K136 HydrophobicContact CG1-CD 3.89Å; I123-K136 HydrophobicContact CG1-CG 4.48Å; D128-K136 VanDerWaalsContact CG-NZ 3.3Å; D128-K136 IonicContact OD1-NZ 3.41Å; D128-K136 PolarHBondContact OD1-NZ 3.09Å; D128-K136 VanDerWaalsContact OD1-NZ 3.14Å; D128-K136 IonicContact OD2-NZ 3.18Å; D128-K136 PolarHBondContact OD2-NZ 2.93Å; I132-K136 HydrophobicContact CG2-CD 4.28Å; I132-K136 WeakPolarHBondContact O-CG 3.12Å; I132-K136 PolarHBondContact O-N 3.08Å; Q133-K136 PolarHBondContact O-N 3.4Å; K136-L138 VanDerWaalsContact C-N 3.34Å; K136-Y139 PolarHBondContact O-N 2.88Å; K136-S140 WeakPolarHBondContact O-CB 3.37Å; K136-S140 PolarHBondContact O-N 3.12Å
137	I	97.4	Very high	96.4	Very high	33 Å²	33	44.9 Å²	44.9	17%	0.169	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-45.5	173.8	-71.7	165.1	0	0	0	110.4	I123 Q133 K134 S140 S141 F497 E499	I123-I137 HydrophobicContact CD1-CG1 3.66Å; Q133-I137 WeakPolarHBondContact O-CB 3.43Å; Q133-I137 VanDerWaalsContact O-CG1 3.24Å; Q133-I137 WeakPolarHBondContact O-CG1 3.48Å; Q133-I137 PolarHBondContact O-N 2.77Å; K134-I137 PolarHBondContact O-N 3.19Å; I137-S140 PolarHBondContact O-N 3.4Å; I137-S141 PolarHBondContact O-N 3.07Å; I137-F497 HydrophobicContact CG2-CB 3.71Å; I137-E499 HydrophobicContact CB-CG 4.34Å; I137-E499 HydrophobicContact CG1-CG 4.14Å; I137-E499 HydrophobicContact CG2-CG 3.8Å
138	L	97.4	Very high	96.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-46.6	178.8	-172.2	58.2	0	0	0	111	K134 A135 K136 S141 C142 F409 I410 A413 L414 F497 N505	K134-L138 WeakPolarHBondContact O-CB 3.49Å; K134-L138 PolarHBondContact O-N 3.28Å; A135-L138 PolarHBondContact O-N 3.38Å; K136-L138 VanDerWaalsContact C-N 3.34Å; L138-S141 PolarHBondContact O-N 3.3Å; L138-S141 PolarHBondContact O-OG 2.82Å; L138-C142 PolarHBondContact O-N 3.48Å; L138-C142 VanDerWaalsContact O-N 3.12Å; L138-F409 HydrophobicContact CD1-CE1 3.71Å; L138-F409 HydrophobicContact CD1-CZ 4.42Å; L138-F409 HydrophobicContact CD2-CE1 3.92Å; L138-F409 HydrophobicContact CD2-CZ 4.46Å; L138-F409 HydrophobicContact CG-CD1 4.44Å; L138-F409 HydrophobicContact CG-CE1 3.87Å; L138-I410 HydrophobicContact CB-CG1 4.19Å; L138-I410 HydrophobicContact CD2-CD1 4.47Å; L138-I410 HydrophobicContact CD2-CG1 3.99Å; L138-I410 HydrophobicContact CG-CD1 4.07Å; L138-I410 HydrophobicContact CG-CG1 3.96Å; L138-A413 HydrophobicContact CD2-CB 3.99Å; L138-L414 HydrophobicContact CD2-CD1 4.12Å; L138-L414 HydrophobicContact CD2-CG 4.39Å; L138-F497 HydrophobicContact CB-CD2 4.05Å; L138-F497 HydrophobicContact CB-CE2 4.25Å; L138-F497 HydrophobicContact CB-CG 4.4Å; L138-F497 HydrophobicContact CD1-CD1 3.93Å; L138-F497 HydrophobicContact CD1-CD2 4.44Å; L138-F497 HydrophobicContact CD1-CE1 3.92Å; L138-F497 HydrophobicContact CD1-CE2 4.47Å; L138-F497 HydrophobicContact CD1-CG 4.18Å; L138-F497 HydrophobicContact CD1-CZ 4.19Å; L138-F497 HydrophobicContact CD2-CD2 4.5Å; L138-F497 HydrophobicContact CD2-CE1 4.32Å; L138-F497 HydrophobicContact CD2-CE2 3.91Å; L138-F497 HydrophobicContact CD2-CZ 3.77Å; L138-F497 HydrophobicContact CG-CE2 4.46Å; L138-F497 HydrophobicContact CG-CZ 4.47Å; L138-N505 HydrophobicContact CD1-CB 3.48Å; L138-N505 VanDerWaalsContact CD1-CB 3.48Å
139	Y	98.3	Very high	96.9	Very high	7 Å²	7	39.3 Å²	39.3	3%	0.027	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-49.2	175.1	-179.1	-99.6	0	0	0	112.1	L119 E120 A135 K136 S141 C142 M143 C406 V407 I410	L119-Y139 HydrophobicContact CB-CD1 3.87Å; L119-Y139 HydrophobicContact CB-CD2 4.08Å; L119-Y139 HydrophobicContact CB-CE1 4.25Å; L119-Y139 HydrophobicContact CB-CE2 4.45Å; L119-Y139 HydrophobicContact CB-CG 3.78Å; L119-Y139 HydrophobicContact CD1-CD2 3.86Å; L119-Y139 HydrophobicContact CD1-CE2 4.4Å; L119-Y139 HydrophobicContact CD1-CG 4.23Å; L119-Y139 HydrophobicContact CG-CG 4.45Å; E120-Y139 HydrophobicContact CG-CE1 3.55Å; E120-Y139 PolarHBondContact OE1-OH 2.86Å; A135-Y139 WeakPolarHBondContact O-CB 3.31Å; A135-Y139 PolarHBondContact O-N 3.25Å; K136-Y139 PolarHBondContact O-N 2.88Å; Y139-S141 VanDerWaalsContact C-N 3.34Å; Y139-S141 PolarHBondContact O-N 2.75Å; Y139-C142 WeakPolarHBondContact O-CB 3.35Å; Y139-C142 PolarHBondContact O-N 3.11Å; Y139-C142 VanDerWaalsContact O-N 3.09Å; Y139-M143 HydrophobicContact CD1-CG 4Å; Y139-M143 HydrophobicContact CD2-CG 4.44Å; Y139-M143 HydrophobicContact CE1-CG 3.56Å; Y139-M143 HydrophobicContact CE1-SD 4.43Å; Y139-M143 HydrophobicContact CE2-CG 4.04Å; Y139-M143 HydrophobicContact CE2-SD 4.22Å; Y139-M143 HydrophobicContact CG-CG 4.42Å; Y139-M143 WeakPolarHBondContact O-CG 3.35Å; Y139-M143 PolarHBondContact O-N 3Å; Y139-C406 HydrophobicContact CD2-CB 3.74Å; Y139-C406 HydrophobicContact CE2-CB 3.73Å; Y139-V407 HydrophobicContact CE2-CG2 3.95Å; Y139-I410 HydrophobicContact CD2-CD1 4.27Å
140	S	98.1	Very high	97.1	Very high	52 Å²	52	45.7 Å²	45.7	36%	0.364	22%	0.223	S	C	.	.	H	α-helix	trans	-57.5	-44.7	178	-178.5	0	0	0	0	112.3	K136 I137 C142 M143 N144	K136-S140 WeakPolarHBondContact O-CB 3.37Å; K136-S140 PolarHBondContact O-N 3.12Å; I137-S140 PolarHBondContact O-N 3.4Å; S140-C142 VanDerWaalsContact C-N 3.29Å; S140-C142 PolarHBondContact O-N 3.17Å; S140-M143 PolarHBondContact O-N 3.41Å; S140-N144 PolarHBondContact O-N 3.21Å
141	S	97.9	Very high	97.2	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-39.9	176.7	75.7	0	0	0	0	112.2	I137 L138 Y139 N144 S498 E499 Y502 N505	I137-S141 PolarHBondContact O-N 3.07Å; L138-S141 PolarHBondContact O-N 3.3Å; L138-S141 PolarHBondContact O-OG 2.82Å; Y139-S141 VanDerWaalsContact C-N 3.34Å; Y139-S141 PolarHBondContact O-N 2.75Å; S141-N144 PolarHBondContact O-N 3.38Å; S141-S498 WeakPolarHBondContact CB-O 3.36Å; S141-E499 WeakPolarHBondContact CA-O 3.28Å; S141-E499 WeakPolarHBondContact CB-O 3.26Å; S141-Y502 WeakPolarHBondContact O-CB 3.35Å; S141-N505 WeakPolarHBondContact CB-ND2 3.36Å; S141-N505 PolarHBondContact OG-ND2 3.17Å
142	C	97.9	Very high	97.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68.6	-37.7	177.8	-179.1	0	0	0	0	111.9	L138 Y139 S140 N144 I148 Q402 C406 Y502	L138-C142 PolarHBondContact O-N 3.48Å; L138-C142 VanDerWaalsContact O-N 3.12Å; Y139-C142 WeakPolarHBondContact O-CB 3.35Å; Y139-C142 PolarHBondContact O-N 3.11Å; Y139-C142 VanDerWaalsContact O-N 3.09Å; S140-C142 VanDerWaalsContact C-N 3.29Å; S140-C142 PolarHBondContact O-N 3.17Å; C142-N144 PolarHBondContact O-N 2.82Å; C142-I148 WeakPolarHBondContact O-CD1 3.5Å; C142-Q402 PolarHBondContact O-NE2 3.31Å; C142-C406 HydrophobicContact CB-CB 3.75Å; C142-C406 WeakPolarHBondContact CB-SG 3.14Å; C142-C406 PolarHBondContact O-SG 3.29Å; C142-C406 WeakPolarHBondContact SG-CA 3.4Å; C142-C406 WeakPolarHBondContact SG-CB 3.47Å; C142-C406 CovalentContact SG-SG 2.03Å; C142-C406 PolarHBondContact SG-SG 3.04Å; C142-Y502 VanDerWaalsContact CA-CD2 3.47Å; C142-Y502 HydrophobicContact CB-CD2 3.6Å; C142-Y502 HydrophobicContact CB-CE2 3.43Å; C142-Y502 VanDerWaalsContact CB-CE2 3.43Å; C142-Y502 HydrophobicContact CB-CG 4.45Å
143	M	97.9	Very high	97.4	Very high	60 Å²	60	43.2 Å²	43.2	30%	0.296	22%	0.218	S	C	.	.	H	α-helix	trans	-70.3	-16.5	179	-73.7	-58.1	-68.6	0	0	113.8	Y139 S140 E145 Q402 W403 C406	Y139-M143 HydrophobicContact CD1-CG 4Å; Y139-M143 HydrophobicContact CD2-CG 4.44Å; Y139-M143 HydrophobicContact CE1-CG 3.56Å; Y139-M143 HydrophobicContact CE1-SD 4.43Å; Y139-M143 HydrophobicContact CE2-CG 4.04Å; Y139-M143 HydrophobicContact CE2-SD 4.22Å; Y139-M143 HydrophobicContact CG-CG 4.42Å; Y139-M143 WeakPolarHBondContact O-CG 3.35Å; Y139-M143 PolarHBondContact O-N 3Å; S140-M143 PolarHBondContact O-N 3.41Å; M143-E145 VanDerWaalsContact C-N 3.27Å; M143-E145 PolarHBondContact O-N 2.79Å; M143-Q402 HydrophobicContact SD-CB 4.46Å; M143-Q402 HydrophobicContact SD-CG 4.03Å; M143-W403 HydrophobicContact CE-CB 3.92Å; M143-W403 WeakPolarHBondContact SD-CA 3.17Å; M143-W403 HydrophobicContact SD-CB 3.87Å; M143-C406 HydrophobicContact SD-CB 4.21Å
144	N	97.6	Very high	97.4	Very high	67 Å²	67	48.1 Å²	48.1	36%	0.358	23%	0.234	S	C	.	.			trans	-78.3	72.1	-178.5	-166.1	-17	0	0	0	112.3	S140 S141 C142 K146 A147 I148	S140-N144 PolarHBondContact O-N 3.21Å; S141-N144 PolarHBondContact O-N 3.38Å; C142-N144 PolarHBondContact O-N 2.82Å; N144-K146 PolarHBondContact O-N 3.17Å; N144-A147 HydrophobicContact CB-CB 4.16Å; N144-A147 VanDerWaalsContact CG-CB 3.5Å; N144-A147 PolarHBondContact O-N 2.9Å; N144-A147 WeakPolarHBondContact OD1-CB 3.23Å; N144-A147 PolarHBondContact OD1-N 2.82Å; N144-A147 VanDerWaalsContact OD1-N 3.08Å; N144-I148 PolarHBondContact O-N 2.74Å; N144-I148 VanDerWaalsContact O-N 3.15Å
145	E	96.1	Very high	97.4	Very high	71 Å²	71	49 Å²	49	33%	0.332	24%	0.241	S	C	.	.	H	α-helix	trans	-54.3	-38.1	178.4	-71.7	-175.1	-108.1	0	0	111.7	M143 A147 I148 E149 R380 Q402	M143-E145 VanDerWaalsContact C-N 3.27Å; M143-E145 PolarHBondContact O-N 2.79Å; E145-A147 VanDerWaalsContact C-N 3.33Å; E145-A147 PolarHBondContact O-N 3.1Å; E145-I148 PolarHBondContact O-N 2.98Å; E145-E149 WeakPolarHBondContact O-CB 3.41Å; E145-E149 VanDerWaalsContact O-CG 3.31Å; E145-E149 WeakPolarHBondContact O-CG 3.23Å; E145-E149 PolarHBondContact O-N 3.05Å; E145-R380 IonicContact OE2-NE 2.69Å; E145-R380 IonicContact OE2-NH2 2.78Å; E145-R380 PolarHBondContact OE2-NH2 2.92Å; E145-Q402 HydrophobicContact CG-CB 4.25Å; E145-Q402 HydrophobicContact CG-CG 3.77Å
146	K	97.1	Very high	97.4	Very high	185 Å²	185	49 Å²	49	80%	0.804	24%	0.241	S	C	*	.	H	α-helix	trans	-59.7	-41.9	178.6	-68.4	-179.3	-178.6	175.8	0	112.2	N144 K150	N144-K146 PolarHBondContact O-N 3.17Å; K146-K150 VanDerWaalsContact O-CB 3.23Å; K146-K150 WeakPolarHBondContact O-CB 3.15Å; K146-K150 PolarHBondContact O-N 2.92Å
147	A	97	Very high	97.3	Very high	32 Å²	32	49.8 Å²	49.8	26%	0.264	25%	0.246	S	C	.	.	H	α-helix	trans	-68.5	-41.2	176.8	0	0	0	0	0	111.6	N144 E145 K150 A151	N144-A147 HydrophobicContact CB-CB 4.16Å; N144-A147 VanDerWaalsContact CG-CB 3.5Å; N144-A147 PolarHBondContact O-N 2.9Å; N144-A147 WeakPolarHBondContact OD1-CB 3.23Å; N144-A147 PolarHBondContact OD1-N 2.82Å; N144-A147 VanDerWaalsContact OD1-N 3.08Å; E145-A147 VanDerWaalsContact C-N 3.33Å; E145-A147 PolarHBondContact O-N 3.1Å; A147-K150 PolarHBondContact O-N 3.45Å; A147-A151 VanDerWaalsContact O-CB 3.31Å; A147-A151 WeakPolarHBondContact O-CB 3.42Å; A147-A151 PolarHBondContact O-N 3.46Å
148	I	97.1	Very high	97.2	Very high	15 Å²	15	53.5 Å²	53.5	8%	0.077	26%	0.263	C	S	.	.	H	α-helix	trans	-64.1	-48.3	177.8	-63.6	169.8	0	0	0	110.8	C142 N144 E145 K150 A151 D152 Y502	C142-I148 WeakPolarHBondContact O-CD1 3.5Å; N144-I148 PolarHBondContact O-N 2.74Å; N144-I148 VanDerWaalsContact O-N 3.15Å; E145-I148 PolarHBondContact O-N 2.98Å; I148-K150 VanDerWaalsContact C-N 3.34Å; I148-K150 PolarHBondContact O-N 3.48Å; I148-A151 PolarHBondContact O-N 3.42Å; I148-D152 PolarHBondContact O-N 2.91Å; I148-Y502 HydrophobicContact CD1-CD1 3.63Å; I148-Y502 HydrophobicContact CD1-CE1 4.19Å; I148-Y502 HydrophobicContact CD1-CG 4.17Å; I148-Y502 HydrophobicContact CG1-CD1 3.99Å; I148-Y502 HydrophobicContact CG1-CG 4.49Å
149	E	97.8	Very high	97.1	Very high	78 Å²	78	54.1 Å²	54.1	36%	0.364	27%	0.266	S	S	.	.	H	α-helix	trans	-62.5	-41	177	-70.6	-51.7	127.3	0	0	111.6	E145 D152 S379 R380	E145-E149 WeakPolarHBondContact O-CB 3.41Å; E145-E149 VanDerWaalsContact O-CG 3.31Å; E145-E149 WeakPolarHBondContact O-CG 3.23Å; E145-E149 PolarHBondContact O-N 3.05Å; E149-D152 PolarHBondContact O-N 2.71Å; E149-S379 WeakPolarHBondContact OE1-CA 3.19Å; E149-S379 WeakPolarHBondContact OE2-CB 3.39Å; E149-R380 WeakPolarHBondContact OE1-CB 3.17Å; E149-R380 PolarHBondContact OE1-N 3.18Å
150	K	97.8	Very high	97	Very high	163 Å²	163	53.9 Å²	53.9	71%	0.709	27%	0.265	S	S	*	.	H	α-helix	trans	-62.4	-46	174.2	-173.8	178.4	-177.6	179.7	0	110.5	K146 A147 I148 R154	K146-K150 VanDerWaalsContact O-CB 3.23Å; K146-K150 WeakPolarHBondContact O-CB 3.15Å; K146-K150 PolarHBondContact O-N 2.92Å; A147-K150 PolarHBondContact O-N 3.45Å; I148-K150 VanDerWaalsContact C-N 3.34Å; I148-K150 PolarHBondContact O-N 3.48Å; K150-R154 PolarHBondContact O-NH2 3.21Å
151	A	97.2	Very high	96.9	Very high	29 Å²	29	56 Å²	56	24%	0.24	27%	0.265	C	S	.	.	H	α-helix	trans	-64.9	-39.4	-179.1	0	0	0	0	0	112.1	A147 I148 A153 R154 P155	A147-A151 VanDerWaalsContact O-CB 3.31Å; A147-A151 WeakPolarHBondContact O-CB 3.42Å; A147-A151 PolarHBondContact O-N 3.46Å; I148-A151 PolarHBondContact O-N 3.42Å; A151-A153 PolarHBondContact O-N 2.84Å; A151-R154 VanDerWaalsContact O-CB 3.27Å; A151-R154 WeakPolarHBondContact O-CB 3.47Å; A151-R154 WeakPolarHBondContact O-CG 3.35Å; A151-R154 PolarHBondContact O-N 3.03Å; A151-R154 VanDerWaalsContact O-N 3.08Å; A151-R154 PolarHBondContact O-NE 3.44Å; A151-P155 HydrophobicContact CB-CG 4.04Å
152	D	97.6	Very high	96.7	Very high	38 Å²	38	60.1 Å²	60.1	20%	0.203	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	-129.1	177.9	-179.5	42.1	0	0	0	111.5	I148 E149 R154 S379 R381	I148-D152 PolarHBondContact O-N 2.91Å; E149-D152 PolarHBondContact O-N 2.71Å; D152-R154 VanDerWaalsContact C-N 3.31Å; D152-R154 PolarHBondContact O-N 3.27Å; D152-S379 WeakPolarHBondContact OD1-CB 3.5Å; D152-S379 PolarHBondContact OD1-OG 3.28Å; D152-R381 IonicContact OD1-CZ 2.79Å; D152-R381 IonicContact OD1-NE 3.96Å; D152-R381 PolarHBondContact OD1-NE 3.47Å; D152-R381 IonicContact OD1-NH2 2.81Å; D152-R381 PolarHBondContact OD1-NH2 3.25Å; D152-R381 IonicContact OD2-CZ 3.37Å; D152-R381 IonicContact OD2-NE 2.84Å; D152-R381 IonicContact OD2-NH1 3.17Å; D152-R381 IonicContact OD2-NH2 3.52Å; D152-R381 PolarHBondContact OD2-NH2 3.2Å
153	A	96.9	Very high	96.3	Very high	2 Å²	2	64 Å²	64	2%	0.017	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-10.3	-179.7	0	0	0	0	0	113.7	A151 L156 L157 L260 F382	A151-A153 PolarHBondContact O-N 2.84Å; A153-L156 PolarHBondContact O-N 3.04Å; A153-L156 VanDerWaalsContact O-N 3.09Å; A153-L157 HydrophobicContact CB-CD1 3.92Å; A153-L157 HydrophobicContact CB-CG 4.09Å; A153-L157 WeakPolarHBondContact O-CG 3.38Å; A153-L157 PolarHBondContact O-N 3.46Å; A153-L260 HydrophobicContact CB-CD2 3.79Å; A153-F382 HydrophobicContact CB-CE2 3.77Å; A153-F382 HydrophobicContact CB-CZ 3.74Å
154	R	96.8	Very high	96.1	Very high	148 Å²	148	62.1 Å²	62.1	56%	0.558	30%	0.303	S	S	*	.	H	α-helix	trans	-57.3	-42.8	-166.6	-63.2	-178.1	-74.5	162.7	-4.2	113.6	K150 A151 D152 L156 L157 H158	K150-R154 PolarHBondContact O-NH2 3.21Å; A151-R154 VanDerWaalsContact O-CB 3.27Å; A151-R154 WeakPolarHBondContact O-CB 3.47Å; A151-R154 WeakPolarHBondContact O-CG 3.35Å; A151-R154 PolarHBondContact O-N 3.03Å; A151-R154 VanDerWaalsContact O-N 3.08Å; A151-R154 PolarHBondContact O-NE 3.44Å; D152-R154 VanDerWaalsContact C-N 3.31Å; D152-R154 PolarHBondContact O-N 3.27Å; R154-L156 PolarHBondContact O-N 3.49Å; R154-L157 PolarHBondContact O-N 3.23Å; R154-H158 WeakPolarHBondContact O-CB 3.49Å; R154-H158 PolarHBondContact O-N 3.44Å
155	P	96.5	Very high	95.9	Very high	32 Å²	32	59.4 Å²	59.4	21%	0.208	29%	0.288	C	S	.	.	H	α-helix	trans	-62.2	-40.2	177.4	-24.1	35.7	0	0	0	113.1	A151 H158 I159 F503	A151-P155 HydrophobicContact CB-CG 4.04Å; P155-H158 PolarHBondContact O-N 2.84Å; P155-I159 PolarHBondContact O-N 2.88Å; P155-F503 HydrophobicContact CB-CB 3.86Å; P155-F503 HydrophobicContact CB-CD1 3.25Å; P155-F503 HydrophobicContact CB-CD2 4.16Å; P155-F503 HydrophobicContact CB-CE1 3.7Å; P155-F503 HydrophobicContact CB-CG 3.49Å; P155-F503 VanDerWaalsContact CB-CG 3.49Å; P155-F503 HydrophobicContact CB-CZ 4.34Å; P155-F503 HydrophobicContact CG-CB 4.11Å; P155-F503 HydrophobicContact CG-CD1 4.37Å; P155-F503 HydrophobicContact CG-CG 4.19Å
156	L	97	Very high	95.9	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-69.3	-45.3	176.2	178.3	60.6	0	0	0	111.2	A153 R154 H158 I159 L160 L260 V371 L378 F503	A153-L156 PolarHBondContact O-N 3.04Å; A153-L156 VanDerWaalsContact O-N 3.09Å; R154-L156 PolarHBondContact O-N 3.49Å; L156-H158 PolarHBondContact O-N 2.73Å; L156-I159 WeakPolarHBondContact O-CB 3.47Å; L156-I159 PolarHBondContact O-N 2.87Å; L156-L160 HydrophobicContact CD1-CD1 4.4Å; L156-L160 HydrophobicContact CD1-CD2 4.47Å; L156-L160 HydrophobicContact CD1-CG 4.19Å; L156-L160 HydrophobicContact CG-CD1 4.01Å; L156-L160 HydrophobicContact CG-CG 4.24Å; L156-L160 WeakPolarHBondContact O-CG 3.39Å; L156-L160 PolarHBondContact O-N 3.27Å; L156-L260 HydrophobicContact CD2-CD1 4.07Å; L156-L260 HydrophobicContact CD2-CD2 4.13Å; L156-V371 HydrophobicContact CD2-CG1 4.17Å; L156-V371 HydrophobicContact CD2-CG2 4.31Å; L156-L378 HydrophobicContact CB-CD2 4.08Å; L156-L378 HydrophobicContact CD2-CD1 3.79Å; L156-F503 HydrophobicContact CB-CE2 4.49Å; L156-F503 HydrophobicContact CB-CZ 4.05Å; L156-F503 HydrophobicContact CD1-CZ 4.47Å
157	L	96.8	Very high	96	Very high	31 Å²	31	49.6 Å²	49.6	16%	0.162	24%	0.243	C	C	.	.	H	α-helix	trans	-59.3	-34.4	176.8	-68.3	174.6	0	0	0	112.1	A153 R154 L160 R161 I174 L260	A153-L157 HydrophobicContact CB-CD1 3.92Å; A153-L157 HydrophobicContact CB-CG 4.09Å; A153-L157 WeakPolarHBondContact O-CG 3.38Å; A153-L157 PolarHBondContact O-N 3.46Å; R154-L157 PolarHBondContact O-N 3.23Å; L157-L160 PolarHBondContact O-N 3.15Å; L157-R161 WeakPolarHBondContact O-CG 3.5Å; L157-R161 PolarHBondContact O-N 3.06Å; L157-I174 HydrophobicContact CD2-CG2 3.7Å; L157-L260 HydrophobicContact CD2-CB 4.24Å; L157-L260 HydrophobicContact CD2-CD2 3.8Å; L157-L260 HydrophobicContact CG-CD2 4.16Å
158	H	95.4	Very high	96	Very high	111 Å²	111	48.3 Å²	48.3	51%	0.514	23%	0.232	S	C	.	.	H	α-helix	trans	-60	-47.3	172.9	-178.5	68.6	0	0	0	111.4	R154 P155 L156 L160 R161 H162	R154-H158 WeakPolarHBondContact O-CB 3.49Å; R154-H158 PolarHBondContact O-N 3.44Å; P155-H158 PolarHBondContact O-N 2.84Å; L156-H158 PolarHBondContact O-N 2.73Å; H158-L160 PolarHBondContact O-N 3.39Å; H158-R161 PolarHBondContact O-N 2.8Å; H158-H162 AromaticContact CE1-NE2 3.65Å; H158-H162 PolarHBondContact O-CD2 3.19Å
159	I	95	Very high	96	Very high	13 Å²	13	47.6 Å²	47.6	7%	0.067	23%	0.228	C	C	.	.	H	α-helix	trans	-60.2	-47.5	174.7	-63.3	172.2	0	0	0	110.9	P155 L156 R161 H162 F165 Y198 F503 L507	P155-I159 PolarHBondContact O-N 2.88Å; L156-I159 WeakPolarHBondContact O-CB 3.47Å; L156-I159 PolarHBondContact O-N 2.87Å; I159-R161 PolarHBondContact O-N 2.79Å; I159-R161 VanDerWaalsContact O-N 3.07Å; I159-H162 PolarHBondContact O-N 3.06Å; I159-F165 HydrophobicContact CG2-CB 3.88Å; I159-F165 HydrophobicContact CG2-CD1 3.94Å; I159-F165 HydrophobicContact CG2-CD2 3.69Å; I159-F165 HydrophobicContact CG2-CE1 4.45Å; I159-F165 HydrophobicContact CG2-CE2 4.25Å; I159-F165 HydrophobicContact CG2-CG 3.54Å; I159-F165 WeakPolarHBondContact O-CB 3.41Å; I159-Y198 HydrophobicContact CD1-CE1 4.41Å; I159-F503 HydrophobicContact CD1-CE1 3.72Å; I159-F503 HydrophobicContact CD1-CZ 4.24Å; I159-L507 HydrophobicContact CD1-CD1 3.72Å; I159-L507 HydrophobicContact CD1-CD2 3.86Å; I159-L507 HydrophobicContact CD1-CG 4.4Å; I159-L507 HydrophobicContact CG1-CD1 4.48Å
160	L	96.3	Very high	96	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-13.3	-176.4	-63.8	180	0	0	0	113.5	L156 L157 H158 H162 F165 R166 W167 L170 I174 L260 V367 V371	L156-L160 HydrophobicContact CD1-CD1 4.4Å; L156-L160 HydrophobicContact CD1-CD2 4.47Å; L156-L160 HydrophobicContact CD1-CG 4.19Å; L156-L160 HydrophobicContact CG-CD1 4.01Å; L156-L160 HydrophobicContact CG-CG 4.24Å; L156-L160 WeakPolarHBondContact O-CG 3.39Å; L156-L160 PolarHBondContact O-N 3.27Å; L157-L160 PolarHBondContact O-N 3.15Å; H158-L160 PolarHBondContact O-N 3.39Å; L160-H162 VanDerWaalsContact C-N 3.33Å; L160-F165 HydrophobicContact CD2-CB 4.3Å; L160-F165 VanDerWaalsContact CD2-O 3.26Å; L160-F165 WeakPolarHBondContact CD2-O 3.44Å; L160-R166 VanDerWaalsContact O-CA 3.25Å; L160-R166 WeakPolarHBondContact O-CA 3.42Å; L160-W167 HydrophobicContact CD1-CE3 4.39Å; L160-L170 HydrophobicContact CD1-CD1 3.84Å; L160-I174 HydrophobicContact CB-CD1 4.17Å; L160-I174 WeakPolarHBondContact O-CD1 3.39Å; L160-L260 HydrophobicContact CD1-CD1 4.39Å; L160-V367 HydrophobicContact CD2-CG1 3.52Å; L160-V371 HydrophobicContact CD1-CG2 4.26Å; L160-V371 HydrophobicContact CD2-CG2 4.18Å
161	R	95	Very high	95.5	Very high	98 Å²	98	39.5 Å²	39.5	37%	0.37	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-20.9	172.4	-74.4	165.9	175.9	163.1	1.3	113.1	L157 H158 I159 R166 I174 E177	L157-R161 WeakPolarHBondContact O-CG 3.5Å; L157-R161 PolarHBondContact O-N 3.06Å; H158-R161 PolarHBondContact O-N 2.8Å; I159-R161 PolarHBondContact O-N 2.79Å; I159-R161 VanDerWaalsContact O-N 3.07Å; R161-R166 PolarHBondContact O-NE 3.35Å; R161-R166 VanDerWaalsContact O-NE 3.1Å; R161-I174 HydrophobicContact CG-CB 4.4Å; R161-I174 HydrophobicContact CG-CD1 4.19Å; R161-I174 WeakPolarHBondContact CG-O 3.49Å; R161-I174 PolarHBondContact NE-O 3.42Å; R161-E177 CarbonylContact O-C 3.48Å
162	H	93.1	Very high	94.8	Very high	87 Å²	87	41.4 Å²	41.4	40%	0.403	21%	0.205	S	C	.	.	S	Bend	trans	-105.3	145.1	-171.4	-60	-64.8	0	0	0	112	H158 I159 L160 F165 R166	H158-H162 AromaticContact CE1-NE2 3.65Å; H158-H162 PolarHBondContact O-CD2 3.19Å; I159-H162 PolarHBondContact O-N 3.06Å; L160-H162 VanDerWaalsContact C-N 3.33Å; H162-F165 WeakPolarHBondContact O-CA 3.44Å; H162-F165 WeakPolarHBondContact O-CB 3.36Å; H162-F165 PolarHBondContact O-N 2.99Å; H162-R166 PolarHBondContact O-N 3.23Å
163	S	90.4	Very high	94.2	Very high	83 Å²	83	44.1 Å²	44.1	58%	0.58	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	141.3	171.1	-173.6	0	0	0	0	109.7
164	P	93.4	Very high	93.7	Very high	20 Å²	20	44.3 Å²	44.3	13%	0.13	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.5	13.9	2	36.1	-36	0	0	0	115.1	T190 T193	P164-T190 HydrophobicContact CB-CG2 4.13Å; P164-T190 WeakPolarHBondContact CB-OG1 3.39Å; P164-T190 HydrophobicContact CG-CG2 4.42Å; P164-T193 HydrophobicContact CG-CG2 4.04Å
165	F	94.8	Very high	93.2	Very high	9 Å²	9	38.4 Å²	38.4	4%	0.039	21%	0.205	C	C	.	.			trans	-86.8	-2.2	-170.9	-57.2	-79.2	0	0	0	115.6	I159 L160 H162 W167 T193 F194 Y198 V367 M370	I159-F165 HydrophobicContact CG2-CB 3.88Å; I159-F165 HydrophobicContact CG2-CD1 3.94Å; I159-F165 HydrophobicContact CG2-CD2 3.69Å; I159-F165 HydrophobicContact CG2-CE1 4.45Å; I159-F165 HydrophobicContact CG2-CE2 4.25Å; I159-F165 HydrophobicContact CG2-CG 3.54Å; I159-F165 WeakPolarHBondContact O-CB 3.41Å; L160-F165 HydrophobicContact CD2-CB 4.3Å; L160-F165 VanDerWaalsContact CD2-O 3.26Å; L160-F165 WeakPolarHBondContact CD2-O 3.44Å; H162-F165 WeakPolarHBondContact O-CA 3.44Å; H162-F165 WeakPolarHBondContact O-CB 3.36Å; H162-F165 PolarHBondContact O-N 2.99Å; F165-W167 PolarHBondContact O-N 2.79Å; F165-T193 HydrophobicContact CE2-CG2 4Å; F165-T193 HydrophobicContact CZ-CG2 3.58Å; F165-F194 HydrophobicContact CD1-CD1 4.2Å; F165-F194 AromaticContact CD1-CE1 3.41Å; F165-F194 HydrophobicContact CD1-CE1 3.41Å; F165-F194 VanDerWaalsContact CD1-CE1 3.41Å; F165-F194 HydrophobicContact CD1-CZ 4.13Å; F165-F194 AromaticContact CE1-CD1 3.49Å; F165-F194 HydrophobicContact CE1-CD1 3.49Å; F165-F194 VanDerWaalsContact CE1-CD1 3.49Å; F165-F194 AromaticContact CE1-CE1 3.17Å; F165-F194 HydrophobicContact CE1-CE1 3.17Å; F165-F194 HydrophobicContact CE1-CZ 4.21Å; F165-F194 HydrophobicContact CG-CE1 4.5Å; F165-F194 HydrophobicContact CZ-CD1 4.16Å; F165-F194 HydrophobicContact CZ-CE1 4.11Å; F165-Y198 HydrophobicContact CE1-CD2 4.13Å; F165-Y198 AromaticContact CE1-CE2 3.97Å; F165-Y198 HydrophobicContact CE1-CE2 3.97Å; F165-Y198 AromaticContact CE2-CE2 3.87Å; F165-Y198 HydrophobicContact CE2-CE2 3.87Å; F165-Y198 AromaticContact CE2-CZ 3.96Å; F165-Y198 AromaticContact CZ-CD2 3.69Å; F165-Y198 HydrophobicContact CZ-CD2 3.69Å; F165-Y198 HydrophobicContact CZ-CE1 4.38Å; F165-Y198 AromaticContact CZ-CE2 3.16Å; F165-Y198 HydrophobicContact CZ-CE2 3.16Å; F165-Y198 AromaticContact CZ-CZ 3.52Å; F165-V367 WeakPolarHBondContact O-CG1 3.47Å; F165-M370 HydrophobicContact CD1-CG 4.42Å; F165-M370 HydrophobicContact CE1-CG 4.49Å
166	R	95.8	Very high	92.8	Very high	51 Å²	51	42.3 Å²	42.3	19%	0.192	23%	0.23	C	C	.	.			trans	-55.3	115.1	178.7	-64.2	-178.7	-172.7	173.6	-2.6	110.3	L160 R161 H162 P168 E177 V179 W180	L160-R166 VanDerWaalsContact O-CA 3.25Å; L160-R166 WeakPolarHBondContact O-CA 3.42Å; R161-R166 PolarHBondContact O-NE 3.35Å; R161-R166 VanDerWaalsContact O-NE 3.1Å; H162-R166 PolarHBondContact O-N 3.23Å; R166-P168 VanDerWaalsContact O-CD 3.31Å; R166-P168 WeakPolarHBondContact O-CD 3.32Å; R166-E177 PolarHBondContact NE-O 3.28Å; R166-E177 PolarHBondContact NH2-O 3Å; R166-V179 VanDerWaalsContact CD-O 3.27Å; R166-V179 WeakPolarHBondContact CD-O 3.48Å; R166-V179 PolarHBondContact NH1-O 3.22Å; R166-W180 HydrophobicContact CB-CB 4.14Å; R166-W180 VanDerWaalsContact O-CD1 3.32Å
167	W	97.5	Very high	92.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.258	C	S	.	.			trans	-88	112.4	-176.3	-158.4	7.9	0	0	0	109.9	L160 F165 V169 L170 A257 L260 M271 N364 V367 W368 V371	L160-W167 HydrophobicContact CD1-CE3 4.39Å; F165-W167 PolarHBondContact O-N 2.79Å; W167-V169 HydrophobicContact CD2-CG1 3.42Å; W167-V169 VanDerWaalsContact CD2-CG1 3.42Å; W167-V169 VanDerWaalsContact CE2-CG1 3.47Å; W167-V169 HydrophobicContact CE3-CG1 3.86Å; W167-V169 HydrophobicContact CG-CG1 3.72Å; W167-V169 HydrophobicContact CH2-CG1 4.31Å; W167-V169 HydrophobicContact CZ2-CG1 3.95Å; W167-V169 HydrophobicContact CZ3-CG1 4.26Å; W167-V169 PolarHBondContact O-N 2.84Å; W167-L170 HydrophobicContact CB-CD1 4.01Å; W167-L170 HydrophobicContact CB-CG 4.06Å; W167-L170 HydrophobicContact CD2-CG 4.45Å; W167-L170 HydrophobicContact CE3-CD1 3.94Å; W167-L170 HydrophobicContact CE3-CD2 4.3Å; W167-L170 HydrophobicContact CE3-CG 3.98Å; W167-L170 PolarHBondContact O-N 3.4Å; W167-A257 HydrophobicContact CH2-CB 3.78Å; W167-A257 HydrophobicContact CZ2-CB 4.39Å; W167-A257 HydrophobicContact CZ3-CB 4.15Å; W167-L260 HydrophobicContact CE3-CD1 4.29Å; W167-L260 HydrophobicContact CZ3-CD1 3.67Å; W167-M271 HydrophobicContact CZ2-CE 4.07Å; W167-M271 HydrophobicContact CZ2-SD 4.03Å; W167-N364 VanDerWaalsContact CD1-OD1 3.27Å; W167-N364 PolarHBondContact NE1-O 3.16Å; W167-N364 PolarHBondContact NE1-OD1 3.35Å; W167-V367 HydrophobicContact CB-CB 4.21Å; W167-V367 HydrophobicContact CB-CG1 3.59Å; W167-V367 HydrophobicContact CD2-CG1 3.95Å; W167-V367 HydrophobicContact CG-CB 3.86Å; W167-V367 HydrophobicContact CG-CG1 3.47Å; W167-V367 VanDerWaalsContact CG-CG1 3.47Å; W167-W368 HydrophobicContact CH2-CE3 4.27Å; W167-W368 HydrophobicContact CZ2-CB 4.2Å; W167-W368 HydrophobicContact CZ2-CE3 4.26Å; W167-V371 HydrophobicContact CE3-CG2 4.11Å; W167-V371 HydrophobicContact CH2-CG1 4.44Å; W167-V371 HydrophobicContact CZ3-CG1 4.29Å; W167-V371 HydrophobicContact CZ3-CG2 4.09Å
168	P	97.6	Very high	91.9	Very high	4 Å²	4	46.7 Å²	46.7	3%	0.026	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-55.5	-29.8	-174.5	-22.1	25.1	0	0	0	115.1	R166 L170 E171 W180 K360 A363 N364	R166-P168 VanDerWaalsContact O-CD 3.31Å; R166-P168 WeakPolarHBondContact O-CD 3.32Å; P168-L170 PolarHBondContact O-N 3.22Å; P168-E171 PolarHBondContact O-N 3.49Å; P168-W180 HydrophobicContact CB-CB 4.25Å; P168-W180 HydrophobicContact CB-CD2 4.13Å; P168-W180 HydrophobicContact CB-CE3 4.17Å; P168-W180 HydrophobicContact CB-CG 4.17Å; P168-W180 HydrophobicContact CG-CB 4.15Å; P168-W180 HydrophobicContact CG-CD2 3.66Å; P168-W180 HydrophobicContact CG-CE3 4.14Å; P168-W180 HydrophobicContact CG-CG 3.65Å; P168-K360 HydrophobicContact CB-CD 4.34Å; P168-K360 HydrophobicContact CB-CG 3.62Å; P168-K360 HydrophobicContact CG-CG 4.13Å; P168-A363 HydrophobicContact CG-CB 3.7Å; P168-N364 WeakPolarHBondContact CB-OD1 3.48Å; P168-N364 WeakPolarHBondContact CD-OD1 3.25Å; P168-N364 WeakPolarHBondContact CG-OD1 3.42Å
169	V	97.9	Very high	91.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-65	-24.2	179.3	74.8	0	0	0	0	113.6	W167 A257 A262 R266 A267 D270 M271 N364	W167-V169 HydrophobicContact CD2-CG1 3.42Å; W167-V169 VanDerWaalsContact CD2-CG1 3.42Å; W167-V169 VanDerWaalsContact CE2-CG1 3.47Å; W167-V169 HydrophobicContact CE3-CG1 3.86Å; W167-V169 HydrophobicContact CG-CG1 3.72Å; W167-V169 HydrophobicContact CH2-CG1 4.31Å; W167-V169 HydrophobicContact CZ2-CG1 3.95Å; W167-V169 HydrophobicContact CZ3-CG1 4.26Å; W167-V169 PolarHBondContact O-N 2.84Å; V169-A257 HydrophobicContact CG1-CB 4.1Å; V169-A257 HydrophobicContact CG2-CB 4.35Å; V169-A262 HydrophobicContact CG2-CB 4.06Å; V169-R266 HydrophobicContact CG2-CG 4.42Å; V169-A267 HydrophobicContact CG2-CB 4.22Å; V169-D270 HydrophobicContact CG2-CB 4.09Å; V169-M271 HydrophobicContact CB-CE 4.24Å; V169-M271 HydrophobicContact CG1-CE 4.41Å; V169-M271 HydrophobicContact CG2-CE 4.26Å; V169-N364 PolarHBondContact N-OD1 3.06Å
170	L	96.5	Very high	91.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-85.9	-19.6	-177.4	-60.9	-178.4	0	0	0	113.8	L160 W167 P168 S172 N173 I174 L260 A262	L160-L170 HydrophobicContact CD1-CD1 3.84Å; W167-L170 HydrophobicContact CB-CD1 4.01Å; W167-L170 HydrophobicContact CB-CG 4.06Å; W167-L170 HydrophobicContact CD2-CG 4.45Å; W167-L170 HydrophobicContact CE3-CD1 3.94Å; W167-L170 HydrophobicContact CE3-CD2 4.3Å; W167-L170 HydrophobicContact CE3-CG 3.98Å; W167-L170 PolarHBondContact O-N 3.4Å; P168-L170 PolarHBondContact O-N 3.22Å; L170-S172 PolarHBondContact O-N 3.32Å; L170-N173 VanDerWaalsContact O-CB 3.28Å; L170-N173 WeakPolarHBondContact O-CB 3.41Å; L170-N173 PolarHBondContact O-N 2.98Å; L170-N173 VanDerWaalsContact O-N 3.1Å; L170-I174 HydrophobicContact CB-CD1 4.4Å; L170-I174 HydrophobicContact CB-CG1 4.31Å; L170-I174 HydrophobicContact CB-CG2 4.24Å; L170-I174 HydrophobicContact CD1-CD1 4.14Å; L170-I174 HydrophobicContact CD1-CG2 3.86Å; L170-L260 HydrophobicContact CD1-CB 4.45Å; L170-L260 HydrophobicContact CD2-CB 3.99Å; L170-A262 HydrophobicContact CD2-CB 3.99Å
171	E	87.9	Confident	91.7	Very high	71 Å²	71	47.8 Å²	47.8	33%	0.332	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	44.5	-131.7	-175.5	-63.5	-162.6	160.5	0	0	114	P168 N173 R266	P168-E171 PolarHBondContact O-N 3.49Å; E171-N173 VanDerWaalsContact C-N 3.31Å; E171-R266 IonicContact OE1-CZ 2.9Å; E171-R266 IonicContact OE1-NE 3.45Å; E171-R266 PolarHBondContact OE1-NE 2.91Å; E171-R266 IonicContact OE1-NH1 3.22Å; E171-R266 PolarHBondContact OE1-NH1 3.12Å; E171-R266 IonicContact OE1-NH2 2.78Å; E171-R266 PolarHBondContact OE1-NH2 3.05Å; E171-R266 IonicContact OE2-CZ 3.08Å; E171-R266 IonicContact OE2-NH1 2.62Å; E171-R266 PolarHBondContact OE2-NH1 3.47Å; E171-R266 IonicContact OE2-NH2 2.96Å; E171-R266 PolarHBondContact OE2-NH2 2.92Å
172	S	81.6	Confident	91.8	Very high	70 Å²	70	48 Å²	48	49%	0.49	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-83.7	-0.4	179.5	54.1	0	0	0	0	113.4	L170 I174 G175	L170-S172 PolarHBondContact O-N 3.32Å; S172-I174 PolarHBondContact O-N 3.41Å; S172-G175 WeakPolarHBondContact O-CA 3.37Å; S172-G175 PolarHBondContact O-N 2.95Å
173	N	86.8	Confident	91.9	Very high	94 Å²	94	55.4 Å²	55.4	50%	0.503	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-66.3	-20.9	-176.9	-64.9	-14.7	0	0	0	112.2	L170 E171 G261	L170-N173 VanDerWaalsContact O-CB 3.28Å; L170-N173 WeakPolarHBondContact O-CB 3.41Å; L170-N173 PolarHBondContact O-N 2.98Å; L170-N173 VanDerWaalsContact O-N 3.1Å; E171-N173 VanDerWaalsContact C-N 3.31Å; N173-G261 WeakPolarHBondContact CB-O 3.49Å; N173-G261 PolarHBondContact ND2-O 3.4Å
174	I	85.7	Confident	92.1	Very high	6 Å²	6	59.2 Å²	59.2	3%	0.031	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-96.3	10.9	172.2	59.6	164.3	0	0	0	113.1	L157 L160 R161 L170 S172	L157-I174 HydrophobicContact CD2-CG2 3.7Å; L160-I174 HydrophobicContact CB-CD1 4.17Å; L160-I174 WeakPolarHBondContact O-CD1 3.39Å; R161-I174 HydrophobicContact CG-CB 4.4Å; R161-I174 HydrophobicContact CG-CD1 4.19Å; R161-I174 WeakPolarHBondContact CG-O 3.49Å; R161-I174 PolarHBondContact NE-O 3.42Å; L170-I174 HydrophobicContact CB-CD1 4.4Å; L170-I174 HydrophobicContact CB-CG1 4.31Å; L170-I174 HydrophobicContact CB-CG2 4.24Å; L170-I174 HydrophobicContact CD1-CD1 4.14Å; L170-I174 HydrophobicContact CD1-CG2 3.86Å; S172-I174 PolarHBondContact O-N 3.41Å
175	G	87.3	Confident	92.3	Very high	24 Å²	24	59.8 Å²	59.8	25%	0.247	30%	0.298	C	S	.	.			trans	102.1	164.1	-178.8	0	0	0	0	0	113.6	S172 E177 G178	S172-G175 WeakPolarHBondContact O-CA 3.37Å; S172-G175 PolarHBondContact O-N 2.95Å; G175-E177 PolarHBondContact O-N 3.05Å; G175-G178 PolarHBondContact O-N 3.29Å
176	P	86.9	Confident	92.4	Very high	114 Å²	114	61.8 Å²	61.8	74%	0.74	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-60.9	-33.3	-178	24.9	-34.3	0	0	0	112.5	G178 V179	P176-G178 PolarHBondContact O-N 3.31Å; P176-V179 WeakPolarHBondContact O-CG2 3.37Å; P176-V179 PolarHBondContact O-N 3.23Å
177	E	87.5	Confident	92.5	Very high	124 Å²	124	60.9 Å²	60.9	58%	0.579	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-60.8	-29.9	174.8	-62.3	-67.1	172	0	0	112.6	R161 R166 G175 V179	R161-E177 CarbonylContact O-C 3.48Å; R166-E177 PolarHBondContact NE-O 3.28Å; R166-E177 PolarHBondContact NH2-O 3Å; G175-E177 PolarHBondContact O-N 3.05Å; E177-V179 VanDerWaalsContact C-N 3.34Å
178	G	87.6	Confident	92.5	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-85.6	-1.7	-177.8	0	0	0	0	0	115	G175 P176 W180	G175-G178 PolarHBondContact O-N 3.29Å; P176-G178 PolarHBondContact O-N 3.31Å; G178-W180 PolarHBondContact O-N 2.76Å
179	V	92.7	Very high	92.5	Very high	64 Å²	64	64.9 Å²	64.9	39%	0.388	33%	0.331	S	S	.	.			trans	-66.7	120	-179.1	179.4	0	0	0	0	110.3	R166 P176 E177	R166-V179 VanDerWaalsContact CD-O 3.27Å; R166-V179 WeakPolarHBondContact CD-O 3.48Å; R166-V179 PolarHBondContact NH1-O 3.22Å; P176-V179 WeakPolarHBondContact O-CG2 3.37Å; P176-V179 PolarHBondContact O-N 3.23Å; E177-V179 VanDerWaalsContact C-N 3.34Å
180	W	95.9	Very high	92.5	Very high	44 Å²	44	65 Å²	65	17%	0.167	33%	0.332	C	S	.	.			trans	-73.7	143.5	175.2	-178.7	89.5	0	0	0	111.1	R166 P168 G178 E182 F185 K359 K360 A363	R166-W180 HydrophobicContact CB-CB 4.14Å; R166-W180 VanDerWaalsContact O-CD1 3.32Å; P168-W180 HydrophobicContact CB-CB 4.25Å; P168-W180 HydrophobicContact CB-CD2 4.13Å; P168-W180 HydrophobicContact CB-CE3 4.17Å; P168-W180 HydrophobicContact CB-CG 4.17Å; P168-W180 HydrophobicContact CG-CB 4.15Å; P168-W180 HydrophobicContact CG-CD2 3.66Å; P168-W180 HydrophobicContact CG-CE3 4.14Å; P168-W180 HydrophobicContact CG-CG 3.65Å; G178-W180 PolarHBondContact O-N 2.76Å; W180-E182 HydrophobicContact CH2-CB 3.54Å; W180-E182 HydrophobicContact CH2-CG 3.89Å; W180-E182 HydrophobicContact CZ2-CB 4.43Å; W180-E182 HydrophobicContact CZ3-CB 3.63Å; W180-E182 HydrophobicContact CZ3-CG 4.4Å; W180-F185 HydrophobicContact CZ2-CB 3.64Å; W180-F185 HydrophobicContact CZ2-CD1 4.21Å; W180-F185 HydrophobicContact CZ2-CD2 4.29Å; W180-F185 AromaticContact CZ2-CG 3.78Å; W180-F185 HydrophobicContact CZ2-CG 3.78Å; W180-F185 AromaticContact NE1-CD2 3.73Å; W180-K359 HydrophobicContact CH2-CB 4.19Å; W180-K359 HydrophobicContact CZ2-CB 4.45Å; W180-K360 HydrophobicContact CH2-CB 4.05Å; W180-K360 HydrophobicContact CZ3-CB 4.08Å; W180-K360 HydrophobicContact CZ3-CG 4.2Å; W180-A363 HydrophobicContact CZ2-CB 3.72Å
181	S	94.7	Very high	92.6	Very high	41 Å²	41	65.2 Å²	65.2	29%	0.287	33%	0.333	S	S	.	.			trans	-129.4	123.5	178.7	176	0	0	0	0	110.4	R183 K184 F185	S181-R183 PolarHBondContact O-N 3.21Å; S181-K184 PolarHBondContact O-N 3.29Å; S181-K184 VanDerWaalsContact O-N 3.16Å; S181-F185 PolarHBondContact O-N 3.07Å
182	E	95.8	Very high	93.1	Very high	102 Å²	102	61.9 Å²	61.9	48%	0.477	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-35.6	177.4	-174.3	165	-175	0	0	112.9	W180 K184 F185 K359	W180-E182 HydrophobicContact CH2-CB 3.54Å; W180-E182 HydrophobicContact CH2-CG 3.89Å; W180-E182 HydrophobicContact CZ2-CB 4.43Å; W180-E182 HydrophobicContact CZ3-CB 3.63Å; W180-E182 HydrophobicContact CZ3-CG 4.4Å; E182-K184 VanDerWaalsContact C-N 3.34Å; E182-K184 PolarHBondContact O-N 3.33Å; E182-F185 PolarHBondContact O-N 2.78Å; E182-K359 HydrophobicContact CG-CB 3.97Å; E182-K359 HydrophobicContact CG-CD 3.65Å; E182-K359 HydrophobicContact CG-CG 4.4Å
183	R	95.8	Very high	93.9	Very high	242 Å²	242	59 Å²	59	91%	0.913	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-32.9	178.6	-65.7	-174.9	179.7	-173.2	0	112.6	S181	S181-R183 PolarHBondContact O-N 3.21Å
184	K	94.6	Very high	94.4	Very high	163 Å²	163	54.5 Å²	54.5	71%	0.709	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-10.4	-179.5	-62.9	-176.5	177.1	-179.5	0	113	S181 E182 S186	S181-K184 PolarHBondContact O-N 3.29Å; S181-K184 VanDerWaalsContact O-N 3.16Å; E182-K184 VanDerWaalsContact C-N 3.34Å; E182-K184 PolarHBondContact O-N 3.33Å; K184-S186 PolarHBondContact O-N 3.3Å
185	F	96.9	Very high	94.9	Very high	32 Å²	32	54.8 Å²	54.8	14%	0.14	27%	0.273	C	S	.	.			trans	-68.9	125.9	-178.5	175	-113.2	0	0	0	111.2	W180 S181 E182 L187 K359 I362 A363 L366	W180-F185 HydrophobicContact CZ2-CB 3.64Å; W180-F185 HydrophobicContact CZ2-CD1 4.21Å; W180-F185 HydrophobicContact CZ2-CD2 4.29Å; W180-F185 AromaticContact CZ2-CG 3.78Å; W180-F185 HydrophobicContact CZ2-CG 3.78Å; W180-F185 AromaticContact NE1-CD2 3.73Å; S181-F185 PolarHBondContact O-N 3.07Å; E182-F185 PolarHBondContact O-N 2.78Å; F185-L187 HydrophobicContact CE1-CB 4.35Å; F185-L187 HydrophobicContact CZ-CB 4.29Å; F185-K359 HydrophobicContact CD1-CB 4.06Å; F185-K359 HydrophobicContact CD1-CD 4.44Å; F185-K359 HydrophobicContact CD1-CG 4.33Å; F185-K359 HydrophobicContact CE1-CB 4.43Å; F185-I362 HydrophobicContact CE1-CG2 4.41Å; F185-I362 HydrophobicContact CZ-CG2 4.14Å; F185-A363 HydrophobicContact CD2-CB 3.98Å; F185-A363 HydrophobicContact CE2-CB 3.73Å; F185-A363 HydrophobicContact CZ-CB 4.04Å; F185-L366 HydrophobicContact CE2-CD1 4.03Å; F185-L366 HydrophobicContact CZ-CD1 3.83Å
186	S	97.2	Very high	95.4	Very high	51 Å²	51	53.9 Å²	53.9	36%	0.357	26%	0.264	S	S	.	.			trans	-124	113.1	172.3	174.5	0	0	0	0	109.4	K184 L188 Q189 T190	K184-S186 PolarHBondContact O-N 3.3Å; S186-L188 VanDerWaalsContact C-N 3.34Å; S186-L188 PolarHBondContact O-N 3.04Å; S186-Q189 PolarHBondContact O-N 3.31Å; S186-Q189 WeakPolarHBondContact OG-CB 3.16Å; S186-Q189 PolarHBondContact OG-N 2.82Å; S186-T190 WeakPolarHBondContact O-CB 3.44Å; S186-T190 PolarHBondContact O-N 2.63Å; S186-T190 PolarHBondContact O-OG1 2.9Å
187	L	97.8	Very high	95.8	Very high	33 Å²	33	53 Å²	53	17%	0.173	25%	0.25	C	S	.	.	H	α-helix	trans	-56.3	-50.1	175.4	173.9	61	0	0	0	110.7	F185 Q189 T190 L191 F203 F351 L354 I362 L366	F185-L187 HydrophobicContact CE1-CB 4.35Å; F185-L187 HydrophobicContact CZ-CB 4.29Å; L187-Q189 PolarHBondContact O-N 3.19Å; L187-T190 PolarHBondContact O-N 3.04Å; L187-L191 HydrophobicContact CD1-CD1 3.78Å; L187-L191 HydrophobicContact CD1-CG 3.93Å; L187-L191 HydrophobicContact CG-CD1 3.93Å; L187-L191 HydrophobicContact CG-CG 4.42Å; L187-L191 WeakPolarHBondContact O-CG 3.41Å; L187-L191 PolarHBondContact O-N 3.4Å; L187-F203 HydrophobicContact CD1-CD2 4.47Å; L187-F203 HydrophobicContact CD1-CE2 4.21Å; L187-F351 HydrophobicContact CD2-CE1 4.3Å; L187-L354 HydrophobicContact CD2-CD1 3.96Å; L187-I362 HydrophobicContact CD1-CG2 3.97Å; L187-L366 HydrophobicContact CD1-CD1 3.71Å; L187-L366 HydrophobicContact CD1-CD2 4.44Å
188	L	98.1	Very high	96.2	Very high	21 Å²	21	48.8 Å²	48.8	11%	0.11	23%	0.229	C	C	.	.	H	α-helix	trans	-59.1	-48.2	-179	-177.2	156.3	0	0	0	112	S186 T190 L191 A192 F312 D313 K320	S186-L188 VanDerWaalsContact C-N 3.34Å; S186-L188 PolarHBondContact O-N 3.04Å; L188-T190 VanDerWaalsContact C-N 3.3Å; L188-T190 PolarHBondContact O-N 3.43Å; L188-L191 PolarHBondContact O-N 3.05Å; L188-A192 VanDerWaalsContact O-CB 3.28Å; L188-A192 WeakPolarHBondContact O-CB 3.24Å; L188-A192 PolarHBondContact O-N 2.51Å; L188-F312 HydrophobicContact CB-CE2 3.96Å; L188-F312 HydrophobicContact CB-CZ 4.39Å; L188-F312 HydrophobicContact CD1-CE2 4.41Å; L188-F312 HydrophobicContact CD1-CZ 4.48Å; L188-F312 HydrophobicContact CG-CE2 4.26Å; L188-F312 HydrophobicContact CG-CZ 4.25Å; L188-D313 HydrophobicContact CD1-CB 3.59Å; L188-D313 VanDerWaalsContact CD1-O 3.26Å; L188-D313 WeakPolarHBondContact CD1-O 3.49Å; L188-K320 HydrophobicContact CD2-CD 3.6Å
189	Q	97.7	Very high	96.5	Very high	67 Å²	67	51 Å²	51	31%	0.313	24%	0.244	S	C	.	.	H	α-helix	trans	-62.4	-40.6	178.7	-174.4	60.1	50	0	0	111.4	S186 L187 A192 T193	S186-Q189 PolarHBondContact O-N 3.31Å; S186-Q189 WeakPolarHBondContact OG-CB 3.16Å; S186-Q189 PolarHBondContact OG-N 2.82Å; L187-Q189 PolarHBondContact O-N 3.19Å; Q189-A192 PolarHBondContact O-N 3.23Å; Q189-T193 PolarHBondContact NE2-OG1 2.88Å; Q189-T193 VanDerWaalsContact NE2-OG1 3.15Å; Q189-T193 WeakPolarHBondContact O-CB 3.37Å; Q189-T193 PolarHBondContact O-N 3.27Å; Q189-T193 PolarHBondContact O-OG1 3.37Å; Q189-T193 VanDerWaalsContact O-OG1 3.04Å
190	T	98.1	Very high	96.7	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-49.8	179.7	-50.7	0	0	0	0	111	P164 S186 L187 L188 A192 T193 F194 L366	P164-T190 HydrophobicContact CB-CG2 4.13Å; P164-T190 WeakPolarHBondContact CB-OG1 3.39Å; P164-T190 HydrophobicContact CG-CG2 4.42Å; S186-T190 WeakPolarHBondContact O-CB 3.44Å; S186-T190 PolarHBondContact O-N 2.63Å; S186-T190 PolarHBondContact O-OG1 2.9Å; L187-T190 PolarHBondContact O-N 3.04Å; L188-T190 VanDerWaalsContact C-N 3.3Å; L188-T190 PolarHBondContact O-N 3.43Å; T190-A192 PolarHBondContact O-N 3.34Å; T190-T193 PolarHBondContact O-N 2.86Å; T190-F194 HydrophobicContact CG2-CD1 4.19Å; T190-F194 HydrophobicContact CG2-CE1 3.65Å; T190-F194 HydrophobicContact CG2-CE2 4.2Å; T190-F194 HydrophobicContact CG2-CZ 3.68Å; T190-F194 WeakPolarHBondContact O-CD1 3.39Å; T190-F194 WeakPolarHBondContact O-CG 3.46Å; T190-F194 PolarHBondContact O-N 3.45Å; T190-L366 HydrophobicContact CG2-CB 4.24Å; T190-L366 HydrophobicContact CG2-CD1 3.77Å
191	L	98.4	Very high	96.7	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-45.8	176.9	-70.5	177.7	0	0	0	111.9	L187 L188 T193 F194 R195 V202 F203 I204 F312 Y317 L366	L187-L191 HydrophobicContact CD1-CD1 3.78Å; L187-L191 HydrophobicContact CD1-CG 3.93Å; L187-L191 HydrophobicContact CG-CD1 3.93Å; L187-L191 HydrophobicContact CG-CG 4.42Å; L187-L191 WeakPolarHBondContact O-CG 3.41Å; L187-L191 PolarHBondContact O-N 3.4Å; L188-L191 PolarHBondContact O-N 3.05Å; L191-T193 PolarHBondContact O-N 3.44Å; L191-F194 PolarHBondContact O-N 2.91Å; L191-R195 PolarHBondContact O-N 3.37Å; L191-V202 HydrophobicContact CD2-CB 4.22Å; L191-V202 WeakPolarHBondContact CD2-O 3.31Å; L191-F203 HydrophobicContact CD2-CD2 4.08Å; L191-I204 HydrophobicContact CD1-CD1 4.15Å; L191-F312 HydrophobicContact CD1-CE2 4.12Å; L191-F312 HydrophobicContact CD1-CZ 4.08Å; L191-Y317 HydrophobicContact CB-CD2 4.27Å; L191-Y317 HydrophobicContact CB-CE2 3.77Å; L191-L366 HydrophobicContact CD2-CD2 3.55Å; L191-L366 HydrophobicContact CG-CD2 4.38Å
192	A	98.3	Very high	96.9	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-43.7	-179.6	0	0	0	0	0	111.5	L188 Q189 T190 G196 Y317 K320 V321	L188-A192 VanDerWaalsContact O-CB 3.28Å; L188-A192 WeakPolarHBondContact O-CB 3.24Å; L188-A192 PolarHBondContact O-N 2.51Å; Q189-A192 PolarHBondContact O-N 3.23Å; T190-A192 PolarHBondContact O-N 3.34Å; A192-G196 WeakPolarHBondContact O-CA 3.23Å; A192-G196 PolarHBondContact O-N 3.04Å; A192-Y317 HydrophobicContact CB-CD2 4Å; A192-Y317 HydrophobicContact CB-CE2 4.25Å; A192-K320 HydrophobicContact CB-CB 3.64Å; A192-V321 HydrophobicContact CB-CG2 3.99Å
193	T	97.6	Very high	97	Very high	9 Å²	9	41.6 Å²	41.6	6%	0.055	20%	0.198	C	C	.	.	H	α-helix	trans	-64.1	-43.9	176.2	-65.1	0	0	0	0	111.4	P164 F165 Q189 T190 L191 Q197 Y198	P164-T193 HydrophobicContact CG-CG2 4.04Å; F165-T193 HydrophobicContact CE2-CG2 4Å; F165-T193 HydrophobicContact CZ-CG2 3.58Å; Q189-T193 PolarHBondContact NE2-OG1 2.88Å; Q189-T193 VanDerWaalsContact NE2-OG1 3.15Å; Q189-T193 WeakPolarHBondContact O-CB 3.37Å; Q189-T193 PolarHBondContact O-N 3.27Å; Q189-T193 PolarHBondContact O-OG1 3.37Å; Q189-T193 VanDerWaalsContact O-OG1 3.04Å; T190-T193 PolarHBondContact O-N 2.86Å; L191-T193 PolarHBondContact O-N 3.44Å; T193-Q197 WeakPolarHBondContact O-CB 3.36Å; T193-Q197 PolarHBondContact O-N 3.27Å; T193-Y198 HydrophobicContact CG2-CD2 4.36Å; T193-Y198 HydrophobicContact CG2-CE2 4.08Å
194	F	97.7	Very high	97.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.2	-47.1	-179.8	-77.2	19.3	0	0	0	112	F165 T190 L191 Y198 S199 N200 V202 L366 M370	F165-F194 HydrophobicContact CD1-CD1 4.2Å; F165-F194 AromaticContact CD1-CE1 3.41Å; F165-F194 HydrophobicContact CD1-CE1 3.41Å; F165-F194 VanDerWaalsContact CD1-CE1 3.41Å; F165-F194 HydrophobicContact CD1-CZ 4.13Å; F165-F194 AromaticContact CE1-CD1 3.49Å; F165-F194 HydrophobicContact CE1-CD1 3.49Å; F165-F194 VanDerWaalsContact CE1-CD1 3.49Å; F165-F194 AromaticContact CE1-CE1 3.17Å; F165-F194 HydrophobicContact CE1-CE1 3.17Å; F165-F194 HydrophobicContact CE1-CZ 4.21Å; F165-F194 HydrophobicContact CG-CE1 4.5Å; F165-F194 HydrophobicContact CZ-CD1 4.16Å; F165-F194 HydrophobicContact CZ-CE1 4.11Å; T190-F194 HydrophobicContact CG2-CD1 4.19Å; T190-F194 HydrophobicContact CG2-CE1 3.65Å; T190-F194 HydrophobicContact CG2-CE2 4.2Å; T190-F194 HydrophobicContact CG2-CZ 3.68Å; T190-F194 WeakPolarHBondContact O-CD1 3.39Å; T190-F194 WeakPolarHBondContact O-CG 3.46Å; T190-F194 PolarHBondContact O-N 3.45Å; L191-F194 PolarHBondContact O-N 2.91Å; F194-Y198 CarbonylContact O-C 3.54Å; F194-Y198 WeakPolarHBondContact O-CA 3.41Å; F194-Y198 WeakPolarHBondContact O-CB 3.33Å; F194-Y198 PolarHBondContact O-N 3.09Å; F194-S199 PolarHBondContact O-N 3.42Å; F194-S199 VanDerWaalsContact O-N 3.17Å; F194-N200 CarbonylContact C-O 3.42Å; F194-N200 VanDerWaalsContact C-O 3.25Å; F194-N200 HydrophobicContact CB-CB 4.39Å; F194-N200 WeakPolarHBondContact CB-O 3.44Å; F194-N200 PolarHBondContact O-N 2.97Å; F194-V202 HydrophobicContact CD2-CG2 3.93Å; F194-V202 HydrophobicContact CE2-CG2 4.44Å; F194-L366 HydrophobicContact CE2-CB 3.96Å; F194-L366 VanDerWaalsContact CE2-O 3.22Å; F194-L366 WeakPolarHBondContact CE2-O 3.41Å; F194-L366 HydrophobicContact CZ-CB 4.34Å; F194-M370 HydrophobicContact CE2-CB 3.97Å; F194-M370 HydrophobicContact CZ-CB 4.01Å
195	R	97.2	Very high	97.3	Very high	12 Å²	12	28 Å²	28	5%	0.045	14%	0.142	C	C	.	.	H	α-helix	trans	-70.9	-45.3	178.6	175.3	57.1	-172.8	80.2	2.3	112.2	L191 N200 L206 V321 A514 D517	L191-R195 PolarHBondContact O-N 3.37Å; R195-N200 PolarHBondContact N-O 3.09Å; R195-L206 PolarHBondContact NE-O 3.33Å; R195-L206 PolarHBondContact NH2-O 3.2Å; R195-V321 HydrophobicContact CB-CG1 4.35Å; R195-V321 HydrophobicContact CB-CG2 4.22Å; R195-V321 HydrophobicContact CG-CG1 3.7Å; R195-V321 HydrophobicContact CG-CG2 4.26Å; R195-A514 PolarHBondContact NH1-O 3.36Å; R195-A514 WeakPolarHBondContact O-CB 3.27Å; R195-D517 IonicContact CZ-OD1 3.96Å; R195-D517 IonicContact NH2-OD1 2.89Å; R195-D517 PolarHBondContact NH2-OD1 2.76Å; R195-D517 IonicContact NH2-OD2 3.96Å; R195-D517 PolarHBondContact NH2-OD2 2.82Å
196	G	96.7	Very high	97.4	Very high	5 Å²	5	26.6 Å²	26.6	5%	0.052	14%	0.136	C	C	.	.	H	α-helix	trans	-82.3	-20.7	-171.3	0	0	0	0	0	115.2	A192 V321 A514 Q515	A192-G196 WeakPolarHBondContact O-CA 3.23Å; A192-G196 PolarHBondContact O-N 3.04Å; G196-V321 WeakPolarHBondContact CA-O 3.22Å; G196-A514 VanDerWaalsContact O-CB 3.3Å; G196-A514 WeakPolarHBondContact O-CB 3.19Å; G196-Q515 PolarHBondContact O-NE2 3.16Å
197	Q	95.1	Very high	97.4	Very high	96 Å²	96	25.8 Å²	25.8	45%	0.449	13%	0.125	S	C	.	.	H	α-helix	trans	-121.6	-18.6	-178.2	-59.4	-177.2	2.2	0	0	114.4	T193 K511	T193-Q197 WeakPolarHBondContact O-CB 3.36Å; T193-Q197 PolarHBondContact O-N 3.27Å; Q197-K511 WeakPolarHBondContact O-CA 3.38Å; Q197-K511 WeakPolarHBondContact O-CB 3.38Å; Q197-K511 PolarHBondContact O-N 3.15Å
198	Y	95.4	Very high	97.5	Very high	36 Å²	36	24.8 Å²	24.8	14%	0.141	12%	0.121	C	C	.	.	H	α-helix	trans	-125.9	1.1	-174.4	-64.2	-94.6	0	0	0	113.5	I159 F165 T193 F194 N200 M370 L507	I159-Y198 HydrophobicContact CD1-CE1 4.41Å; F165-Y198 HydrophobicContact CE1-CD2 4.13Å; F165-Y198 AromaticContact CE1-CE2 3.97Å; F165-Y198 HydrophobicContact CE1-CE2 3.97Å; F165-Y198 AromaticContact CE2-CE2 3.87Å; F165-Y198 HydrophobicContact CE2-CE2 3.87Å; F165-Y198 AromaticContact CE2-CZ 3.96Å; F165-Y198 AromaticContact CZ-CD2 3.69Å; F165-Y198 HydrophobicContact CZ-CD2 3.69Å; F165-Y198 HydrophobicContact CZ-CE1 4.38Å; F165-Y198 AromaticContact CZ-CE2 3.16Å; F165-Y198 HydrophobicContact CZ-CE2 3.16Å; F165-Y198 AromaticContact CZ-CZ 3.52Å; T193-Y198 HydrophobicContact CG2-CD2 4.36Å; T193-Y198 HydrophobicContact CG2-CE2 4.08Å; F194-Y198 CarbonylContact O-C 3.54Å; F194-Y198 WeakPolarHBondContact O-CA 3.41Å; F194-Y198 WeakPolarHBondContact O-CB 3.33Å; F194-Y198 PolarHBondContact O-N 3.09Å; Y198-N200 PolarHBondContact O-N 3.01Å; Y198-M370 HydrophobicContact CD1-CE 3.4Å; Y198-M370 VanDerWaalsContact CD1-CE 3.4Å; Y198-M370 HydrophobicContact CE1-CE 4.01Å; Y198-M370 HydrophobicContact CG-CE 3.99Å; Y198-L507 HydrophobicContact CD1-CD2 4.13Å; Y198-L507 HydrophobicContact CE1-CD2 3.93Å
199	S	95.8	Very high	97.4	Very high	45 Å²	45	24.9 Å²	24.9	32%	0.315	12%	0.123	S	C	.	.			trans	52.4	38.8	-177.5	-162.6	0	0	0	0	111.6	F194 R510	F194-S199 PolarHBondContact O-N 3.42Å; F194-S199 VanDerWaalsContact O-N 3.17Å; S199-R510 WeakPolarHBondContact CB-O 3.48Å
200	N	95.9	Very high	97.4	Very high	21 Å²	21	23 Å²	23	11%	0.112	12%	0.116	C	C	.	.			trans	-116	114.4	-179.4	-168.3	19.6	0	0	0	109.8	F194 R195 Y198 M370	F194-N200 CarbonylContact C-O 3.42Å; F194-N200 VanDerWaalsContact C-O 3.25Å; F194-N200 HydrophobicContact CB-CB 4.39Å; F194-N200 WeakPolarHBondContact CB-O 3.44Å; F194-N200 PolarHBondContact O-N 2.97Å; R195-N200 PolarHBondContact N-O 3.09Å; Y198-N200 PolarHBondContact O-N 3.01Å; N200-M370 WeakPolarHBondContact ND2-CA 3.49Å
201	S	96.6	Very high	97.4	Very high	28 Å²	28	22.9 Å²	22.9	20%	0.196	12%	0.116	C	C	.	.			trans	-94.3	122.7	176.8	-69	0	0	0	0	110.2
202	V	97.8	Very high	97.3	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.018	12%	0.118	C	C	.	.	S	Bend	trans	-129.1	129.7	176.4	-174	0	0	0	0	108.5	L191 F194 I204 Y365 L366 R369	L191-V202 HydrophobicContact CD2-CB 4.22Å; L191-V202 WeakPolarHBondContact CD2-O 3.31Å; F194-V202 HydrophobicContact CD2-CG2 3.93Å; F194-V202 HydrophobicContact CE2-CG2 4.44Å; V202-I204 PolarHBondContact O-N 3.3Å; V202-Y365 HydrophobicContact CG1-CD1 4.01Å; V202-Y365 HydrophobicContact CG1-CE1 3.48Å; V202-Y365 VanDerWaalsContact CG1-CE1 3.48Å; V202-L366 HydrophobicContact CB-CD2 4.02Å; V202-L366 HydrophobicContact CG1-CD2 3.64Å; V202-R369 HydrophobicContact CG1-CB 4.17Å; V202-R369 HydrophobicContact CG1-CG 3.72Å; V202-R369 HydrophobicContact CG2-CB 3.53Å; V202-R369 HydrophobicContact CG2-CG 4.01Å
203	F	98.3	Very high	97.3	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.013	14%	0.142	C	C	.	.	S	Bend	trans	61.1	-48.1	-168.6	-49.6	-48.4	0	0	0	115.5	L187 L191 A225 I281 Y346 L350 L354 I362 Y365 L366	L187-F203 HydrophobicContact CD1-CD2 4.47Å; L187-F203 HydrophobicContact CD1-CE2 4.21Å; L191-F203 HydrophobicContact CD2-CD2 4.08Å; F203-A225 PolarHBondContact O-N 2.95Å; F203-I281 HydrophobicContact CD1-CD1 3.83Å; F203-I281 HydrophobicContact CE1-CD1 3.37Å; F203-I281 HydrophobicContact CZ-CD1 4.47Å; F203-Y346 VanDerWaalsContact O-CE1 3.31Å; F203-Y346 WeakPolarHBondContact O-CE1 3.22Å; F203-Y346 PolarHBondContact O-OH 3.32Å; F203-L350 HydrophobicContact CB-CD1 4.2Å; F203-L350 HydrophobicContact CB-CD2 3.72Å; F203-L350 HydrophobicContact CD1-CD1 3.91Å; F203-L350 HydrophobicContact CG-CD1 4.15Å; F203-L350 HydrophobicContact CG-CD2 4.44Å; F203-L354 HydrophobicContact CD2-CD1 4.09Å; F203-L354 HydrophobicContact CE1-CD2 4.28Å; F203-L354 HydrophobicContact CE2-CD1 4.12Å; F203-L354 HydrophobicContact CE2-CD2 3.99Å; F203-L354 HydrophobicContact CZ-CD2 3.78Å; F203-I362 HydrophobicContact CE2-CG2 4.2Å; F203-I362 HydrophobicContact CZ-CG2 4.45Å; F203-Y365 HydrophobicContact CD1-CD1 4.34Å; F203-Y365 AromaticContact CD1-CE1 3.72Å; F203-Y365 HydrophobicContact CD1-CE1 3.72Å; F203-Y365 AromaticContact CE1-CD1 3.3Å; F203-Y365 HydrophobicContact CE1-CD1 3.3Å; F203-Y365 AromaticContact CE1-CE1 3.02Å; F203-Y365 HydrophobicContact CE1-CE1 3.02Å; F203-Y365 HydrophobicContact CE1-CG 4.33Å; F203-Y365 AromaticContact CE1-CZ 3.92Å; F203-Y365 HydrophobicContact CE2-CD1 4.23Å; F203-Y365 HydrophobicContact CE2-CE1 4.47Å; F203-Y365 AromaticContact CZ-CD1 3.23Å; F203-Y365 HydrophobicContact CZ-CD1 3.23Å; F203-Y365 AromaticContact CZ-CE1 3.5Å; F203-Y365 HydrophobicContact CZ-CE1 3.5Å; F203-Y365 HydrophobicContact CZ-CG 4.23Å; F203-L366 HydrophobicContact CD2-CD2 3.94Å; F203-L366 HydrophobicContact CE2-CD2 3.54Å; F203-L366 HydrophobicContact CE2-CG 4.11Å; F203-L366 HydrophobicContact CZ-CD2 4.3Å
204	I	98.6	Very high	97.2	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.6	-175.1	-50.3	173.7	0	0	0	108.9	L191 V202 L222 F312 W314 Y317 F347 F351	L191-I204 HydrophobicContact CD1-CD1 4.15Å; V202-I204 PolarHBondContact O-N 3.3Å; I204-L222 HydrophobicContact CG2-CD2 3.62Å; I204-F312 HydrophobicContact CD1-CD1 4.43Å; I204-F312 HydrophobicContact CD1-CE1 3.82Å; I204-F312 HydrophobicContact CD1-CZ 4.02Å; I204-W314 HydrophobicContact CD1-CH2 4.25Å; I204-W314 HydrophobicContact CD1-CZ3 4.01Å; I204-W314 HydrophobicContact CG2-CZ3 4.39Å; I204-Y317 HydrophobicContact CG2-CE1 4.1Å; I204-F347 HydrophobicContact CB-CE1 4.26Å; I204-F347 HydrophobicContact CG1-CD1 4.4Å; I204-F347 HydrophobicContact CG1-CE1 3.91Å; I204-F347 HydrophobicContact CG2-CE1 4.07Å; I204-F347 HydrophobicContact CG2-CZ 4.2Å; I204-F351 HydrophobicContact CD1-CE2 4.45Å; I204-F351 HydrophobicContact CD1-CZ 3.97Å
205	R	98.4	Very high	97.2	Very high	119 Å²	119	30.1 Å²	30.1	45%	0.449	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	108.2	166.4	-174.4	-174.1	173.3	-171.7	-0.3	108.5	Y207 L222 D223	R205-Y207 HydrophobicContact CG-CD1 3.95Å; R205-Y207 HydrophobicContact CG-CE1 4.41Å; R205-L222 CarbonylContact O-C 3.57Å; R205-L222 WeakPolarHBondContact O-CA 3.15Å; R205-D223 HydrophobicContact CB-CB 4.28Å; R205-D223 PolarHBondContact N-O 3.01Å; R205-D223 PolarHBondContact O-N 3.29Å
206	L	98.6	Very high	97.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.8	171.6	173.2	61.8	0	0	0	108.8	R195 L220 K221 L222 Y317 I318 V321 F518	R195-L206 PolarHBondContact NE-O 3.33Å; R195-L206 PolarHBondContact NH2-O 3.2Å; L206-L220 HydrophobicContact CD1-CB 4.44Å; L206-L220 HydrophobicContact CD1-CD2 4.06Å; L206-K221 WeakPolarHBondContact CA-O 3.16Å; L206-L222 HydrophobicContact CB-CD2 3.99Å; L206-L222 HydrophobicContact CD1-CD2 3.73Å; L206-L222 HydrophobicContact CD1-CG 4.27Å; L206-L222 HydrophobicContact CG-CD2 4.4Å; L206-Y317 HydrophobicContact CB-CE1 4.15Å; L206-Y317 HydrophobicContact CD2-CD1 4.49Å; L206-Y317 HydrophobicContact CD2-CE1 3.91Å; L206-I318 HydrophobicContact CD1-CG1 4.49Å; L206-I318 HydrophobicContact CD2-CG1 3.98Å; L206-V321 HydrophobicContact CD2-CB 4.16Å; L206-V321 HydrophobicContact CD2-CG1 4.05Å; L206-V321 HydrophobicContact CD2-CG2 4.23Å; L206-F518 HydrophobicContact CD2-CZ 4.23Å; L206-F518 HydrophobicContact CG-CZ 4.35Å
207	Y	98.4	Very high	97.2	Very high	34 Å²	34	38.7 Å²	38.7	13%	0.133	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	163.9	176.5	63.9	-76.7	0	0	0	112	R205 S209 K221 D223 R342 D517	R205-Y207 HydrophobicContact CG-CD1 3.95Å; R205-Y207 HydrophobicContact CG-CE1 4.41Å; Y207-S209 WeakPolarHBondContact CE2-OG 3.33Å; Y207-K221 HydrophobicContact CD1-CB 4.25Å; Y207-K221 HydrophobicContact CD2-CB 4.47Å; Y207-K221 HydrophobicContact CE1-CB 3.76Å; Y207-K221 HydrophobicContact CE2-CB 4.01Å; Y207-K221 HydrophobicContact CE2-CD 4.22Å; Y207-K221 HydrophobicContact CE2-CG 4.36Å; Y207-K221 PolarHBondContact N-O 3.21Å; Y207-K221 PolarHBondContact O-N 3.18Å; Y207-D223 HydrophobicContact CE1-CB 4.27Å; Y207-R342 VanDerWaalsContact OH-CD 3.29Å; Y207-R342 WeakPolarHBondContact OH-CD 3.26Å; Y207-D517 WeakPolarHBondContact CA-OD2 3.45Å; Y207-D517 WeakPolarHBondContact CB-OD2 3.39Å
208	V	98.4	Very high	97.3	Very high	13 Å²	13	35.3 Å²	35.3	8%	0.079	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	134.7	173.4	178.3	0	0	0	0	109.7	H218 L220 D517 F518 W520 L521	V208-H218 HydrophobicContact CG1-CB 3.72Å; V208-L220 HydrophobicContact CG2-CD2 3.71Å; V208-D517 HydrophobicContact CB-CB 4.3Å; V208-D517 WeakPolarHBondContact CB-O 3.33Å; V208-D517 PolarHBondContact N-OD2 3.31Å; V208-F518 HydrophobicContact CG2-CD1 3.64Å; V208-F518 HydrophobicContact CG2-CE1 4.05Å; V208-F518 HydrophobicContact CG2-CG 4.48Å; V208-W520 HydrophobicContact CG1-CB 4.09Å; V208-L521 HydrophobicContact CG1-CB 4.25Å; V208-L521 HydrophobicContact CG1-CD1 4.45Å; V208-L521 HydrophobicContact CG2-CB 4.2Å
209	S	97.1	Very high	97.5	Very high	23 Å²	23	34 Å²	34	16%	0.161	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	168.1	175.2	58.4	0	0	0	0	110.4	Y207 D211 H218 I219 K221	Y207-S209 WeakPolarHBondContact CE2-OG 3.33Å; S209-D211 PolarHBondContact O-N 3.24Å; S209-H218 WeakPolarHBondContact O-CA 3.37Å; S209-I219 PolarHBondContact N-O 3.21Å; S209-I219 PolarHBondContact O-N 3.4Å; S209-K221 WeakPolarHBondContact OG-CD 2.72Å; S209-K221 WeakPolarHBondContact OG-CE 3.39Å; S209-K221 PolarHBondContact OG-NZ 3.12Å
210	P	97.6	Very high	97.6	Very high	26 Å²	26	31.8 Å²	31.8	17%	0.169	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	136.7	175	-29	36.9	0	0	0	112.5	D212 E217 K221 V525	P210-D212 PolarHBondContact O-N 3.48Å; P210-E217 CarbonylContact C-O 3.55Å; P210-E217 VanDerWaalsContact CA-O 3.31Å; P210-E217 WeakPolarHBondContact CA-O 3.26Å; P210-K221 WeakPolarHBondContact O-CE 3.31Å; P210-K221 PolarHBondContact O-NZ 3.27Å; P210-V525 HydrophobicContact CB-CG2 3.98Å; P210-V525 HydrophobicContact CG-CG1 4.26Å; P210-V525 HydrophobicContact CG-CG2 3.93Å
211	D	98	Very high	97.8	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	15%	0.153	C	C	.	.			trans	-65.7	127.5	171.2	-176.7	-37.5	0	0	0	108.7	S209 K213 S214 S215 E217 I219 Y297 K299	S209-D211 PolarHBondContact O-N 3.24Å; D211-K213 VanDerWaalsContact C-N 3.25Å; D211-K213 PolarHBondContact O-N 3.36Å; D211-K213 PolarHBondContact OD1-N 3.27Å; D211-S214 WeakPolarHBondContact CB-O 3.33Å; D211-S214 CarbonylContact O-C 3.46Å; D211-S214 VanDerWaalsContact O-C 3.23Å; D211-S214 PolarHBondContact O-N 3.45Å; D211-S214 PolarHBondContact OD1-N 3.34Å; D211-S214 VanDerWaalsContact OD1-N 3.16Å; D211-S215 VanDerWaalsContact O-CA 3.24Å; D211-S215 WeakPolarHBondContact O-CA 3.44Å; D211-S215 PolarHBondContact O-N 2.76Å; D211-E217 PolarHBondContact N-O 2.89Å; D211-I219 HydrophobicContact CB-CB 4.06Å; D211-I219 HydrophobicContact CB-CG2 3.67Å; D211-I219 WeakPolarHBondContact OD2-CD1 3.27Å; D211-Y297 WeakPolarHBondContact OD1-CE2 3.39Å; D211-Y297 PolarHBondContact OD1-OH 2.95Å; D211-K299 IonicContact OD2-NZ 3.49Å; D211-K299 PolarHBondContact OD2-NZ 2.87Å
212	D	96.5	Very high	97.9	Very high	13 Å²	13	29.8 Å²	29.8	7%	0.07	14%	0.144	C	C	.	.	S	Bend	trans	-64.1	-31	-175	-64	-69.1	0	0	0	111.7	P210 K221 Y297 Y593 N598 L599	P210-D212 PolarHBondContact O-N 3.48Å; D212-K221 VanDerWaalsContact CG-NZ 3.32Å; D212-K221 IonicContact OD1-NZ 3.14Å; D212-K221 PolarHBondContact OD1-NZ 3.48Å; D212-K221 IonicContact OD2-NZ 3.02Å; D212-K221 PolarHBondContact OD2-NZ 3.05Å; D212-Y297 HydrophobicContact CB-CD2 3.8Å; D212-Y297 HydrophobicContact CB-CE2 4.16Å; D212-Y593 HydrophobicContact CB-CE1 4.3Å; D212-Y593 PolarHBondContact OD1-OH 3.17Å; D212-Y593 VanDerWaalsContact OD1-OH 3.06Å; D212-N598 CarbonylContact O-C 3.59Å; D212-N598 WeakPolarHBondContact O-CA 3.39Å; D212-L599 HydrophobicContact CB-CB 4.18Å; D212-L599 HydrophobicContact CB-CD2 4.31Å; D212-L599 VanDerWaalsContact O-CB 3.25Å; D212-L599 WeakPolarHBondContact O-CB 3.39Å; D212-L599 PolarHBondContact O-N 2.84Å
213	K	97.4	Very high	97.9	Very high	117 Å²	117	29.9 Å²	29.9	51%	0.509	15%	0.145	S	C	.	.	S	Bend	trans	-98.1	-16.3	177.1	-66.8	-163.8	178.7	-174.4	0	114	D211 Y297 N598 L599	D211-K213 VanDerWaalsContact C-N 3.25Å; D211-K213 PolarHBondContact O-N 3.36Å; D211-K213 PolarHBondContact OD1-N 3.27Å; K213-Y297 HydrophobicContact CB-CE1 4.36Å; K213-Y297 HydrophobicContact CB-CE2 4.19Å; K213-Y297 HydrophobicContact CD-CD1 3.92Å; K213-Y297 HydrophobicContact CD-CE1 3.39Å; K213-Y297 HydrophobicContact CG-CD1 4.13Å; K213-Y297 HydrophobicContact CG-CD2 4.36Å; K213-Y297 HydrophobicContact CG-CE1 3.68Å; K213-Y297 HydrophobicContact CG-CE2 3.91Å; K213-Y297 HydrophobicContact CG-CG 4.45Å; K213-N598 PolarHBondContact O-OD1 3.48Å; K213-L599 HydrophobicContact CG-CB 4.18Å
214	S	96.9	Very high	97.9	Very high	35 Å²	35	30.7 Å²	30.7	25%	0.245	15%	0.148	C	C	.	.	S	Bend	trans	-126.3	70	175.7	-173.1	0	0	0	0	109.4	D211 N216 E217	D211-S214 WeakPolarHBondContact CB-O 3.33Å; D211-S214 CarbonylContact O-C 3.46Å; D211-S214 VanDerWaalsContact O-C 3.23Å; D211-S214 PolarHBondContact O-N 3.45Å; D211-S214 PolarHBondContact OD1-N 3.34Å; D211-S214 VanDerWaalsContact OD1-N 3.16Å; S214-N216 PolarHBondContact O-N 2.87Å; S214-E217 PolarHBondContact O-N 3.12Å; S214-E217 PolarHBondContact OG-OE2 3.41Å
215	S	96.1	Very high	97.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-2.9	-167.4	67	0	0	0	0	115.3	D211 V525 K527 S544 N596 G597 N598	D211-S215 VanDerWaalsContact O-CA 3.24Å; D211-S215 WeakPolarHBondContact O-CA 3.44Å; D211-S215 PolarHBondContact O-N 2.76Å; S215-V525 WeakPolarHBondContact O-CB 3.38Å; S215-V525 WeakPolarHBondContact O-CG2 3.23Å; S215-K527 WeakPolarHBondContact O-CE 3.25Å; S215-K527 PolarHBondContact O-NZ 3.07Å; S215-K527 PolarHBondContact OG-NZ 3.24Å; S215-S544 WeakPolarHBondContact CB-O 3.48Å; S215-N596 PolarHBondContact OG-O 2.64Å; S215-N596 VanDerWaalsContact OG-O 3.04Å; S215-G597 WeakPolarHBondContact CB-O 3.41Å; S215-N598 VanDerWaalsContact CB-OD1 3.28Å; S215-N598 WeakPolarHBondContact CB-OD1 3.36Å; S215-N598 PolarHBondContact N-OD1 3.1Å; S215-N598 PolarHBondContact OG-OD1 3.05Å
216	N	96.7	Very high	97.7	Very high	89 Å²	89	30.3 Å²	30.3	48%	0.476	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-11.4	170.9	-70	-28.3	0	0	0	112.8	S214 A524 V525 K527	S214-N216 PolarHBondContact O-N 2.87Å; N216-A524 CarbonylContact O-C 3.58Å; N216-A524 VanDerWaalsContact O-CA 3.29Å; N216-A524 WeakPolarHBondContact O-CA 3.24Å; N216-V525 PolarHBondContact O-N 3.1Å; N216-K527 WeakPolarHBondContact OD1-CE 3.44Å
217	E	97.6	Very high	97.6	Very high	109 Å²	109	31 Å²	31	51%	0.509	16%	0.164	S	C	.	.	B	Isolated β-bridge	trans	-118.9	153	-174.5	-62.4	177.1	154.4	0	0	110.9	P210 D211 S214	P210-E217 CarbonylContact C-O 3.55Å; P210-E217 VanDerWaalsContact CA-O 3.31Å; P210-E217 WeakPolarHBondContact CA-O 3.26Å; D211-E217 PolarHBondContact N-O 2.89Å; S214-E217 PolarHBondContact O-N 3.12Å; S214-E217 PolarHBondContact OG-OE2 3.41Å
218	H	98.3	Very high	97.5	Very high	24 Å²	24	29.6 Å²	29.6	11%	0.111	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	141.5	169.6	-65.2	94.6	0	0	0	110.9	V208 S209 W520 K523	V208-H218 HydrophobicContact CG1-CB 3.72Å; S209-H218 WeakPolarHBondContact O-CA 3.37Å; H218-W520 HydrophobicContact CB-CB 4.5Å; H218-W520 WeakPolarHBondContact CB-O 3.18Å; H218-W520 AromaticContact CE1-CE3 3.82Å; H218-W520 PolarHBondContact ND1-O 3.24Å; H218-W520 VanDerWaalsContact ND1-O 3.12Å; H218-K523 PolarHBondContact ND1-O 3.44Å
219	I	98.4	Very high	97.5	Very high	8 Å²	8	29.2 Å²	29.2	4%	0.041	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	150.8	178.4	-167.2	157.4	0	0	0	111	S209 D211 K221 K299 N338 V340	S209-I219 PolarHBondContact N-O 3.21Å; S209-I219 PolarHBondContact O-N 3.4Å; D211-I219 HydrophobicContact CB-CB 4.06Å; D211-I219 HydrophobicContact CB-CG2 3.67Å; D211-I219 WeakPolarHBondContact OD2-CD1 3.27Å; I219-K221 HydrophobicContact CG2-CG 4.14Å; I219-K299 HydrophobicContact CD1-CD 4.07Å; I219-K299 HydrophobicContact CD1-CG 4.34Å; I219-N338 HydrophobicContact CD1-CB 4.17Å; I219-V340 HydrophobicContact CD1-CG2 3.87Å; I219-V340 HydrophobicContact CG1-CG2 4.35Å; I219-V340 HydrophobicContact CG2-CG2 4.01Å
220	L	98.7	Very high	97.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	130.6	169.2	-68.7	166.3	0	0	0	109.5	L206 V208 I318 E337 V339 V340 F518 L521	L206-L220 HydrophobicContact CD1-CB 4.44Å; L206-L220 HydrophobicContact CD1-CD2 4.06Å; V208-L220 HydrophobicContact CG2-CD2 3.71Å; L220-I318 HydrophobicContact CD1-CG2 4.08Å; L220-E337 HydrophobicContact CD1-CG 4.04Å; L220-V339 HydrophobicContact CB-CG1 3.98Å; L220-V339 HydrophobicContact CD1-CG1 4.26Å; L220-V339 WeakPolarHBondContact O-CA 3.26Å; L220-V340 PolarHBondContact O-N 3.24Å; L220-F518 HydrophobicContact CD2-CD1 4.22Å; L220-F518 HydrophobicContact CD2-CE1 3.8Å; L220-L521 HydrophobicContact CD1-CD2 4.23Å; L220-L521 HydrophobicContact CD2-CD2 4.12Å; L220-L521 HydrophobicContact CG-CD1 4.28Å; L220-L521 HydrophobicContact CG-CD2 4.04Å
221	K	98.7	Very high	97.2	Very high	6 Å²	6	30 Å²	30	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.9	175.3	-55.3	-157.1	-178.1	171.9	0	110.8	L206 Y207 S209 P210 D212 I219 V340	L206-K221 WeakPolarHBondContact CA-O 3.16Å; Y207-K221 HydrophobicContact CD1-CB 4.25Å; Y207-K221 HydrophobicContact CD2-CB 4.47Å; Y207-K221 HydrophobicContact CE1-CB 3.76Å; Y207-K221 HydrophobicContact CE2-CB 4.01Å; Y207-K221 HydrophobicContact CE2-CD 4.22Å; Y207-K221 HydrophobicContact CE2-CG 4.36Å; Y207-K221 PolarHBondContact N-O 3.21Å; Y207-K221 PolarHBondContact O-N 3.18Å; S209-K221 WeakPolarHBondContact OG-CD 2.72Å; S209-K221 WeakPolarHBondContact OG-CE 3.39Å; S209-K221 PolarHBondContact OG-NZ 3.12Å; P210-K221 WeakPolarHBondContact O-CE 3.31Å; P210-K221 PolarHBondContact O-NZ 3.27Å; D212-K221 VanDerWaalsContact CG-NZ 3.32Å; D212-K221 IonicContact OD1-NZ 3.14Å; D212-K221 PolarHBondContact OD1-NZ 3.48Å; D212-K221 IonicContact OD2-NZ 3.02Å; D212-K221 PolarHBondContact OD2-NZ 3.05Å; I219-K221 HydrophobicContact CG2-CG 4.14Å; K221-V340 VanDerWaalsContact CA-O 3.31Å; K221-V340 WeakPolarHBondContact CA-O 3.24Å; K221-V340 HydrophobicContact CD-CB 4.43Å; K221-V340 HydrophobicContact CG-CB 4.14Å
222	L	98.8	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.3	175.6	-71.5	168	0	0	0	109.6	I204 R205 L206 L305 W314 V340 V341 R342 F347	I204-L222 HydrophobicContact CG2-CD2 3.62Å; R205-L222 CarbonylContact O-C 3.57Å; R205-L222 WeakPolarHBondContact O-CA 3.15Å; L206-L222 HydrophobicContact CB-CD2 3.99Å; L206-L222 HydrophobicContact CD1-CD2 3.73Å; L206-L222 HydrophobicContact CD1-CG 4.27Å; L206-L222 HydrophobicContact CG-CD2 4.4Å; L222-L305 HydrophobicContact CD1-CD2 3.52Å; L222-W314 HydrophobicContact CD1-CE3 3.86Å; L222-W314 HydrophobicContact CD1-CZ3 3.8Å; L222-W314 HydrophobicContact CD2-CZ3 4.23Å; L222-V340 PolarHBondContact N-O 3.36Å; L222-V341 HydrophobicContact CD1-CG2 4.44Å; L222-R342 WeakPolarHBondContact O-CB 3.47Å; L222-R342 PolarHBondContact O-N 3.36Å; L222-F347 HydrophobicContact CB-CE2 3.86Å; L222-F347 HydrophobicContact CB-CZ 4.04Å
223	D	98.6	Very high	97	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.032	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	166.8	-178.3	-155.7	-5.4	0	0	0	112.1	R205 Y207 R291 R342 F347	R205-D223 HydrophobicContact CB-CB 4.28Å; R205-D223 PolarHBondContact N-O 3.01Å; R205-D223 PolarHBondContact O-N 3.29Å; Y207-D223 HydrophobicContact CE1-CB 4.27Å; D223-R291 IonicContact OD1-CZ 3.7Å; D223-R291 IonicContact OD1-NH1 2.97Å; D223-R291 PolarHBondContact OD1-NH1 3.44Å; D223-R291 IonicContact OD1-NH2 3.73Å; D223-R291 PolarHBondContact OD1-NH2 2.78Å; D223-R291 IonicContact OD2-CZ 2.63Å; D223-R291 IonicContact OD2-NH1 2.64Å; D223-R291 IonicContact OD2-NH2 3.37Å; D223-R291 PolarHBondContact OD2-NH2 2.69Å; D223-R342 HydrophobicContact CB-CB 4.26Å; D223-R342 WeakPolarHBondContact OD2-CD 3.47Å; D223-R342 IonicContact OD2-NE 2.85Å; D223-R342 PolarHBondContact OD2-NE 2.92Å; D223-F347 WeakPolarHBondContact O-CZ 3.46Å
224	Q	97.8	Very high	96.9	Very high	19 Å²	19	28.1 Å²	28.1	9%	0.089	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	138.6	170.2	64.8	-163.6	58.7	0	0	110.2	M285 I286 R291 V343 Y346	Q224-M285 HydrophobicContact CG-CE 4.14Å; Q224-I286 PolarHBondContact NE2-O 2.84Å; Q224-R291 VanDerWaalsContact CD-NH1 3.3Å; Q224-V343 HydrophobicContact CB-CG2 4.03Å; Q224-V343 VanDerWaalsContact N-CG2 3.33Å; Q224-Y346 HydrophobicContact CB-CD1 3.75Å; Q224-Y346 HydrophobicContact CB-CD2 4.21Å; Q224-Y346 HydrophobicContact CB-CE1 3.55Å; Q224-Y346 HydrophobicContact CB-CE2 4.03Å; Q224-Y346 HydrophobicContact CB-CG 4.07Å
225	A	97.3	Very high	97	Very high	5 Å²	5	26.7 Å²	26.7	4%	0.041	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-77.4	167	171.2	0	0	0	0	0	111.6	F203 M285	F203-A225 PolarHBondContact O-N 2.95Å; A225-M285 WeakPolarHBondContact O-CE 3.36Å
226	T	95.6	Very high	97	Very high	107 Å²	107	29.2 Å²	29.2	66%	0.656	16%	0.159	S	C	*	.	P	Polyproline II helix	trans	-79.1	159.2	176.6	54.6	0	0	0	0	112.3	R369	T226-R369 PolarHBondContact O-NH2 2.92Å; T226-R369 VanDerWaalsContact O-NH2 3.12Å
227	L	97	Very high	96.9	Very high	16 Å²	16	27.8 Å²	27.8	8%	0.084	15%	0.152	C	C	.	.			trans	-97	-177.7	174.5	-56.8	-177.6	0	0	0	111.6	L229 Y235 E278 I281 A282 M285 R369	L227-L229 CarbonylContact C-O 3.46Å; L227-L229 WeakPolarHBondContact CB-O 3.45Å; L227-Y235 HydrophobicContact CB-CE2 3.72Å; L227-Y235 HydrophobicContact CD1-CD2 3.72Å; L227-Y235 HydrophobicContact CD1-CE2 3.48Å; L227-Y235 VanDerWaalsContact CD1-CE2 3.48Å; L227-Y235 HydrophobicContact CG-CE2 4.26Å; L227-E278 HydrophobicContact CB-CG 4.46Å; L227-E278 HydrophobicContact CD2-CG 3.89Å; L227-I281 HydrophobicContact CD2-CB 4.49Å; L227-I281 HydrophobicContact CD2-CG2 3.93Å; L227-A282 HydrophobicContact CD1-CB 3.59Å; L227-M285 HydrophobicContact CD1-SD 3.5Å; L227-M285 VanDerWaalsContact CD1-SD 3.5Å; L227-M285 HydrophobicContact CD2-SD 3.62Å; L227-M285 HydrophobicContact CG-CE 4.21Å; L227-M285 HydrophobicContact CG-SD 3.4Å; L227-M285 WeakPolarHBondContact CG-SD 2.76Å; L227-R369 PolarHBondContact O-NH1 3.31Å; L227-R369 VanDerWaalsContact O-NH1 3.17Å; L227-R369 PolarHBondContact O-NH2 2.97Å
228	S	97.1	Very high	96.8	Very high	5 Å²	5	28.6 Å²	28.6	4%	0.035	16%	0.159	C	C	.	.	S	Bend	trans	-84.1	-42.3	-172.3	-91.2	0	0	0	0	109.5	Y235 E278 W368 R369 Y372	S228-Y235 PolarHBondContact N-OH 3.48Å; S228-Y235 VanDerWaalsContact N-OH 3.08Å; S228-E278 WeakPolarHBondContact CB-OE1 3.05Å; S228-E278 WeakPolarHBondContact CB-OE2 3.43Å; S228-E278 PolarHBondContact N-OE1 3.31Å; S228-E278 PolarHBondContact OG-OE1 3.38Å; S228-W368 PolarHBondContact OG-NE1 3.48Å; S228-W368 VanDerWaalsContact OG-NE1 3.09Å; S228-R369 PolarHBondContact OG-NH1 3.3Å; S228-Y372 PolarHBondContact O-OH 3.22Å
229	L	97	Very high	96.6	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.026	17%	0.165	C	C	.	.	S	Bend	trans	-79.4	140.4	157	-56.4	167.1	0	0	0	108.5	L227 V231 D234 Y235 R246 L249 F389 I393	L227-L229 CarbonylContact C-O 3.46Å; L227-L229 WeakPolarHBondContact CB-O 3.45Å; L229-V231 VanDerWaalsContact C-N 3.34Å; L229-D234 HydrophobicContact CD1-CB 4.23Å; L229-Y235 HydrophobicContact CB-CD2 4.34Å; L229-Y235 HydrophobicContact CB-CE2 3.54Å; L229-Y235 HydrophobicContact CD1-CD2 4.36Å; L229-Y235 HydrophobicContact CD1-CE1 4.22Å; L229-Y235 HydrophobicContact CD1-CE2 4.05Å; L229-Y235 HydrophobicContact CG-CE2 4.11Å; L229-Y235 PolarHBondContact N-OH 3.48Å; L229-R246 HydrophobicContact CD1-CG 4.46Å; L229-L249 HydrophobicContact CD1-CD2 4.39Å; L229-L249 HydrophobicContact CD2-CB 4.5Å; L229-L249 HydrophobicContact CG-CD2 4.05Å; L229-F389 HydrophobicContact CD2-CE2 3.98Å; L229-F389 HydrophobicContact CD2-CZ 3.73Å; L229-I393 HydrophobicContact CD2-CG2 3.92Å
230	A	94	Very high	96.4	Very high	62 Å²	62	34 Å²	34	51%	0.512	20%	0.196	S	C	.	.	S	Bend	trans	-71.5	-32.7	179.3	0	0	0	0	0	112.1	I707	A230-I707 HydrophobicContact CB-CD1 3.81Å
231	V	95.1	Very high	96.2	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.024	22%	0.215	C	C	.	.			trans	-90.7	120.4	-176.9	-176.2	0	0	0	0	110.2	L229 E233 D234 E703 Q706 I707	L229-V231 VanDerWaalsContact C-N 3.34Å; V231-E233 VanDerWaalsContact C-N 3.32Å; V231-E233 HydrophobicContact CG1-CB 3.99Å; V231-E233 PolarHBondContact O-N 2.97Å; V231-D234 HydrophobicContact CB-CB 4.17Å; V231-D234 WeakPolarHBondContact CB-OD2 3.46Å; V231-D234 HydrophobicContact CG1-CB 4.34Å; V231-D234 WeakPolarHBondContact CG2-OD2 3.13Å; V231-D234 PolarHBondContact O-N 2.64Å; V231-E703 HydrophobicContact CG2-CG 4.06Å; V231-Q706 HydrophobicContact CG1-CB 3.63Å; V231-Q706 HydrophobicContact CG1-CG 3.96Å; V231-Q706 HydrophobicContact CG2-CB 4.14Å; V231-I707 HydrophobicContact CB-CG2 4.2Å; V231-I707 HydrophobicContact CG1-CG2 4.28Å; V231-I707 HydrophobicContact CG2-CD1 4.43Å; V231-I707 HydrophobicContact CG2-CG1 4.36Å; V231-I707 HydrophobicContact CG2-CG2 3.9Å
232	R	95.4	Very high	96.1	Very high	53 Å²	53	37.8 Å²	37.8	20%	0.2	21%	0.214	C	C	.	.	S	Bend	trans	-62.6	-42.1	177.5	176.2	-176	173.5	-84.1	-4	111	D234 Y235 L236 A282 E283 M285	R232-D234 PolarHBondContact O-N 2.85Å; R232-Y235 WeakPolarHBondContact O-CB 3.45Å; R232-Y235 PolarHBondContact O-N 2.82Å; R232-L236 HydrophobicContact CG-CD1 4.15Å; R232-L236 VanDerWaalsContact NH1-CD1 3.28Å; R232-A282 HydrophobicContact CG-CB 4.37Å; R232-A282 PolarHBondContact NE-O 2.77Å; R232-A282 PolarHBondContact NH2-O 3.44Å; R232-E283 PolarHBondContact NH2-O 2.72Å; R232-M285 PolarHBondContact NE-O 2.79Å; R232-M285 VanDerWaalsContact NE-O 3.17Å
233	E	94.4	Very high	96	Very high	31 Å²	31	42.5 Å²	42.5	15%	0.145	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-28.9	-176.9	-68.2	61.5	-134.6	0	0	111.6	V231 Y235 L236 D237	V231-E233 VanDerWaalsContact C-N 3.32Å; V231-E233 HydrophobicContact CG1-CB 3.99Å; V231-E233 PolarHBondContact O-N 2.97Å; E233-Y235 PolarHBondContact O-N 2.88Å; E233-Y235 VanDerWaalsContact O-N 3.16Å; E233-L236 PolarHBondContact O-N 3.15Å; E233-D237 VanDerWaalsContact O-CB 3.29Å; E233-D237 WeakPolarHBondContact O-CB 3.42Å; E233-D237 PolarHBondContact O-N 2.95Å
234	D	96.1	Very high	96	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.032	25%	0.248	C	C	.	.	H	α-helix	trans	-69.6	-11.9	176.1	-68.1	-29.4	0	0	0	112.8	L229 V231 R232 A242 Y245 R246 R702	L229-D234 HydrophobicContact CD1-CB 4.23Å; V231-D234 HydrophobicContact CB-CB 4.17Å; V231-D234 WeakPolarHBondContact CB-OD2 3.46Å; V231-D234 HydrophobicContact CG1-CB 4.34Å; V231-D234 WeakPolarHBondContact CG2-OD2 3.13Å; V231-D234 PolarHBondContact O-N 2.64Å; R232-D234 PolarHBondContact O-N 2.85Å; D234-A242 HydrophobicContact CB-CB 4.45Å; D234-Y245 HydrophobicContact CB-CD2 4.05Å; D234-Y245 VanDerWaalsContact OD2-CD2 3.3Å; D234-Y245 WeakPolarHBondContact OD2-CD2 3.39Å; D234-R246 WeakPolarHBondContact O-CG 3.18Å; D234-R246 PolarHBondContact O-NH1 3.34Å; D234-R702 IonicContact OD1-CZ 3.24Å; D234-R702 IonicContact OD1-NE 3.36Å; D234-R702 IonicContact OD1-NH2 3.97Å; D234-R702 PolarHBondContact OD1-NH2 3.11Å
235	Y	98	Very high	96	Very high	5 Å²	5	44 Å²	44	2%	0.02	25%	0.246	C	C	.	.	H	α-helix	trans	-85	-28.4	167	-71.1	-85.8	0	0	0	113.5	L227 S228 L229 R232 E233 R246 L249 L275 E278 I279 A282	L227-Y235 HydrophobicContact CB-CE2 3.72Å; L227-Y235 HydrophobicContact CD1-CD2 3.72Å; L227-Y235 HydrophobicContact CD1-CE2 3.48Å; L227-Y235 VanDerWaalsContact CD1-CE2 3.48Å; L227-Y235 HydrophobicContact CG-CE2 4.26Å; S228-Y235 PolarHBondContact N-OH 3.48Å; S228-Y235 VanDerWaalsContact N-OH 3.08Å; L229-Y235 HydrophobicContact CB-CD2 4.34Å; L229-Y235 HydrophobicContact CB-CE2 3.54Å; L229-Y235 HydrophobicContact CD1-CD2 4.36Å; L229-Y235 HydrophobicContact CD1-CE1 4.22Å; L229-Y235 HydrophobicContact CD1-CE2 4.05Å; L229-Y235 HydrophobicContact CG-CE2 4.11Å; L229-Y235 PolarHBondContact N-OH 3.48Å; R232-Y235 WeakPolarHBondContact O-CB 3.45Å; R232-Y235 PolarHBondContact O-N 2.82Å; E233-Y235 PolarHBondContact O-N 2.88Å; E233-Y235 VanDerWaalsContact O-N 3.16Å; Y235-R246 PolarHBondContact O-NH1 3.15Å; Y235-L249 HydrophobicContact CE1-CD2 4.03Å; Y235-L249 WeakPolarHBondContact OH-CD2 3.46Å; Y235-L275 HydrophobicContact CD1-CD1 4.46Å; Y235-L275 HydrophobicContact CE1-CD1 4.11Å; Y235-E278 HydrophobicContact CE1-CB 4.21Å; Y235-E278 HydrophobicContact CE1-CG 3.85Å; Y235-E278 PolarHBondContact OH-OE1 3.04Å; Y235-E278 PolarHBondContact OH-OE2 3.01Å; Y235-I279 HydrophobicContact CD1-CG1 3.83Å; Y235-A282 HydrophobicContact CD2-CB 4.05Å; Y235-A282 HydrophobicContact CG-CB 3.87Å
236	L	96.6	Very high	96.1	Very high	53 Å²	53	45.2 Å²	45.2	28%	0.277	25%	0.249	S	C	.	.	H	α-helix	trans	-107	-30.6	-164.5	-55.1	-178.5	0	0	0	112.8	R232 E233 A282 E283	R232-L236 HydrophobicContact CG-CD1 4.15Å; R232-L236 VanDerWaalsContact NH1-CD1 3.28Å; E233-L236 PolarHBondContact O-N 3.15Å; L236-A282 HydrophobicContact CD2-CB 4.14Å; L236-A282 HydrophobicContact CG-CB 4.5Å; L236-E283 HydrophobicContact CD2-CB 4.44Å; L236-E283 HydrophobicContact CD2-CG 3.55Å
237	D	94.8	Very high	96.2	Very high	60 Å²	60	45 Å²	45	32%	0.321	24%	0.244	S	C	.	.			trans	-74.5	147.9	-176.6	-72.6	-3.1	0	0	0	111.6	E233 A242 R246	E233-D237 VanDerWaalsContact O-CB 3.29Å; E233-D237 WeakPolarHBondContact O-CB 3.42Å; E233-D237 PolarHBondContact O-N 2.95Å; D237-A242 HydrophobicContact CB-CB 3.84Å; D237-A242 WeakPolarHBondContact O-CB 3.5Å; D237-R246 PolarHBondContact O-NH1 2.89Å; D237-R246 PolarHBondContact O-NH2 2.89Å
238	N	95.1	Very high	96.3	Very high	126 Å²	126	45 Å²	45	67%	0.674	25%	0.247	S	C	*	.			trans	-94.8	9.3	176.6	-77.6	-36.8	0	0	0	114	K243	N238-K243 VanDerWaalsContact O-CE 3.23Å; N238-K243 WeakPolarHBondContact O-CE 3.41Å; N238-K243 PolarHBondContact O-NZ 2.83Å; N238-K243 VanDerWaalsContact O-NZ 3.11Å
239	S	94	Very high	96.3	Very high	34 Å²	34	44.8 Å²	44.8	24%	0.238	25%	0.245	C	C	.	.	S	Bend	trans	-60	156.2	175.2	62.8	0	0	0	0	111.8	E241 A242 K243	S239-E241 VanDerWaalsContact C-N 3.26Å; S239-E241 PolarHBondContact O-N 3.22Å; S239-A242 PolarHBondContact O-N 3.33Å; S239-A242 WeakPolarHBondContact OG-CB 3.41Å; S239-A242 PolarHBondContact OG-N 3.25Å; S239-K243 WeakPolarHBondContact O-CG 3.45Å; S239-K243 PolarHBondContact O-N 3.48Å
240	T	95	Very high	96.4	Very high	111 Å²	111	47.1 Å²	47.1	68%	0.681	25%	0.254	S	S	*	.	H	α-helix	trans	-60.2	-40.8	178.3	-57.2	0	0	0	0	110.8	S244	T240-S244 PolarHBondContact O-N 3.4Å
241	E	94.5	Very high	96.7	Very high	86 Å²	86	49.8 Å²	49.8	40%	0.402	25%	0.254	S	S	.	.	H	α-helix	trans	-66.4	-49	178.4	-61.6	71.2	-156.1	0	0	111.3	S239 K243 S244 Y245	S239-E241 VanDerWaalsContact C-N 3.26Å; S239-E241 PolarHBondContact O-N 3.22Å; E241-K243 VanDerWaalsContact C-N 3.28Å; E241-K243 PolarHBondContact O-N 3.4Å; E241-S244 PolarHBondContact O-N 2.97Å; E241-S244 VanDerWaalsContact O-N 3.15Å; E241-S244 PolarHBondContact O-OG 3.19Å; E241-Y245 WeakPolarHBondContact O-CD1 3.49Å; E241-Y245 PolarHBondContact O-N 2.97Å
242	A	96.1	Very high	96.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-38.1	179.2	0	0	0	0	0	112	D234 D237 S239 Y245 R246	D234-A242 HydrophobicContact CB-CB 4.45Å; D237-A242 HydrophobicContact CB-CB 3.84Å; D237-A242 WeakPolarHBondContact O-CB 3.5Å; S239-A242 PolarHBondContact O-N 3.33Å; S239-A242 WeakPolarHBondContact OG-CB 3.41Å; S239-A242 PolarHBondContact OG-N 3.25Å; A242-Y245 PolarHBondContact O-N 3.47Å; A242-R246 WeakPolarHBondContact O-CG 3.27Å; A242-R246 PolarHBondContact O-N 3Å; A242-R246 VanDerWaalsContact O-N 3.14Å; A242-R246 PolarHBondContact O-NH1 2.95Å
243	K	97.3	Very high	97	Very high	98 Å²	98	47.2 Å²	47.2	43%	0.426	24%	0.244	S	C	.	.	H	α-helix	trans	-63.2	-48.5	173.4	-74	171	179.3	162.6	0	111.7	N238 S239 E241 Y245 R246 D247	N238-K243 VanDerWaalsContact O-CE 3.23Å; N238-K243 WeakPolarHBondContact O-CE 3.41Å; N238-K243 PolarHBondContact O-NZ 2.83Å; N238-K243 VanDerWaalsContact O-NZ 3.11Å; S239-K243 WeakPolarHBondContact O-CG 3.45Å; S239-K243 PolarHBondContact O-N 3.48Å; E241-K243 VanDerWaalsContact C-N 3.28Å; E241-K243 PolarHBondContact O-N 3.4Å; K243-Y245 PolarHBondContact O-N 3.39Å; K243-R246 VanDerWaalsContact CG-NH2 3.27Å; K243-R246 PolarHBondContact O-N 2.8Å; K243-D247 PolarHBondContact O-N 2.96Å
244	S	97.9	Very high	97.2	Very high	46 Å²	46	46.2 Å²	46.2	32%	0.322	24%	0.24	S	C	.	.	H	α-helix	trans	-62.1	-34.3	-179.8	74	0	0	0	0	112.1	T240 E241 D247 A248	T240-S244 PolarHBondContact O-N 3.4Å; E241-S244 PolarHBondContact O-N 2.97Å; E241-S244 VanDerWaalsContact O-N 3.15Å; E241-S244 PolarHBondContact O-OG 3.19Å; S244-D247 PolarHBondContact O-N 3.44Å; S244-A248 VanDerWaalsContact O-CB 3.29Å; S244-A248 WeakPolarHBondContact O-CB 3.45Å; S244-A248 PolarHBondContact O-N 3.01Å
245	Y	97.9	Very high	97.3	Very high	12 Å²	12	47.6 Å²	47.6	5%	0.047	25%	0.247	C	C	.	.	H	α-helix	trans	-70.4	-39.9	177.8	-63.7	-1.7	0	0	0	112.2	D234 E241 A242 K243 A248 L249 V392 I393	D234-Y245 HydrophobicContact CB-CD2 4.05Å; D234-Y245 VanDerWaalsContact OD2-CD2 3.3Å; D234-Y245 WeakPolarHBondContact OD2-CD2 3.39Å; E241-Y245 WeakPolarHBondContact O-CD1 3.49Å; E241-Y245 PolarHBondContact O-N 2.97Å; A242-Y245 PolarHBondContact O-N 3.47Å; K243-Y245 PolarHBondContact O-N 3.39Å; Y245-A248 PolarHBondContact O-N 3.49Å; Y245-L249 WeakPolarHBondContact O-CB 3.47Å; Y245-L249 PolarHBondContact O-N 2.93Å; Y245-V392 HydrophobicContact CD1-CG1 3.87Å; Y245-V392 HydrophobicContact CE1-CG1 4.23Å; Y245-V392 WeakPolarHBondContact CE1-O 3.43Å; Y245-I393 HydrophobicContact CD1-CG2 3.99Å; Y245-I393 HydrophobicContact CD2-CG2 4.4Å; Y245-I393 HydrophobicContact CG-CG2 3.91Å
246	R	98.4	Very high	97.4	Very high	29 Å²	29	47.4 Å²	47.4	11%	0.109	25%	0.247	C	C	.	.	H	α-helix	trans	-64	-41.8	172.4	-71.2	-174.2	-64	-95.4	15.5	111.9	L229 D234 Y235 D237 A242 K243 L249 Y250	L229-R246 HydrophobicContact CD1-CG 4.46Å; D234-R246 WeakPolarHBondContact O-CG 3.18Å; D234-R246 PolarHBondContact O-NH1 3.34Å; Y235-R246 PolarHBondContact O-NH1 3.15Å; D237-R246 PolarHBondContact O-NH1 2.89Å; D237-R246 PolarHBondContact O-NH2 2.89Å; A242-R246 WeakPolarHBondContact O-CG 3.27Å; A242-R246 PolarHBondContact O-N 3Å; A242-R246 VanDerWaalsContact O-N 3.14Å; A242-R246 PolarHBondContact O-NH1 2.95Å; K243-R246 VanDerWaalsContact CG-NH2 3.27Å; K243-R246 PolarHBondContact O-N 2.8Å; R246-L249 PolarHBondContact O-N 3.02Å; R246-Y250 WeakPolarHBondContact O-CB 3.5Å; R246-Y250 PolarHBondContact O-N 3.1Å
247	D	98.5	Very high	97.5	Very high	104 Å²	104	44.9 Å²	44.9	56%	0.556	23%	0.233	S	C	*	.	H	α-helix	trans	-66	-40.8	177.7	-69.3	-20.4	0	0	0	111.2	K243 S244 Y250 K251	K243-D247 PolarHBondContact O-N 2.96Å; S244-D247 PolarHBondContact O-N 3.44Å; D247-Y250 PolarHBondContact O-N 2.82Å; D247-K251 WeakPolarHBondContact O-CB 3.34Å; D247-K251 PolarHBondContact O-N 3.23Å
248	A	98.6	Very high	97.6	Very high	16 Å²	16	44.8 Å²	44.8	13%	0.132	23%	0.234	C	C	.	.	H	α-helix	trans	-64.7	-42	174.8	0	0	0	0	0	112	S244 Y245 K251 F252 F389 V392	S244-A248 VanDerWaalsContact O-CB 3.29Å; S244-A248 WeakPolarHBondContact O-CB 3.45Å; S244-A248 PolarHBondContact O-N 3.01Å; Y245-A248 PolarHBondContact O-N 3.49Å; A248-K251 PolarHBondContact O-N 3.45Å; A248-F252 VanDerWaalsContact O-CB 3.31Å; A248-F252 WeakPolarHBondContact O-CB 3.22Å; A248-F252 PolarHBondContact O-N 2.92Å; A248-F389 HydrophobicContact CB-CD2 3.91Å; A248-F389 HydrophobicContact CB-CE2 4.33Å; A248-V392 HydrophobicContact CB-CB 3.96Å; A248-V392 HydrophobicContact CB-CG1 3.83Å; A248-V392 HydrophobicContact CB-CG2 4.19Å
249	L	98.8	Very high	97.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-45.9	174.2	176.5	60.7	0	0	0	111.3	L229 Y235 Y245 R246 K251 F252 M253 L275 E278 W368 F389	L229-L249 HydrophobicContact CD1-CD2 4.39Å; L229-L249 HydrophobicContact CD2-CB 4.5Å; L229-L249 HydrophobicContact CG-CD2 4.05Å; Y235-L249 HydrophobicContact CE1-CD2 4.03Å; Y235-L249 WeakPolarHBondContact OH-CD2 3.46Å; Y245-L249 WeakPolarHBondContact O-CB 3.47Å; Y245-L249 PolarHBondContact O-N 2.93Å; R246-L249 PolarHBondContact O-N 3.02Å; L249-K251 PolarHBondContact O-N 3Å; L249-F252 PolarHBondContact O-N 2.92Å; L249-M253 HydrophobicContact CD1-CE 3.85Å; L249-M253 HydrophobicContact CD1-CG 4.37Å; L249-M253 HydrophobicContact CD2-CE 3.79Å; L249-M253 HydrophobicContact CG-CE 3.67Å; L249-M253 HydrophobicContact CG-SD 4.34Å; L249-M253 WeakPolarHBondContact O-CG 3.47Å; L249-M253 PolarHBondContact O-N 3.04Å; L249-L275 HydrophobicContact CD2-CD1 4.04Å; L249-E278 WeakPolarHBondContact CD2-OE2 3.44Å; L249-W368 HydrophobicContact CD1-CZ2 4.03Å; L249-F389 HydrophobicContact CB-CE2 3.87Å; L249-F389 HydrophobicContact CB-CZ 4.35Å; L249-F389 HydrophobicContact CD1-CE2 4.31Å; L249-F389 HydrophobicContact CD1-CZ 4.09Å
250	Y	98.9	Very high	97.9	Very high	54 Å²	54	39.5 Å²	39.5	21%	0.212	20%	0.203	C	C	.	.	H	α-helix	trans	-57.8	-49.5	176.8	173.8	-123.7	0	0	0	111.4	R246 D247 F252 M253 V254 E268 M271 K272	R246-Y250 WeakPolarHBondContact O-CB 3.5Å; R246-Y250 PolarHBondContact O-N 3.1Å; D247-Y250 PolarHBondContact O-N 2.82Å; Y250-F252 VanDerWaalsContact C-N 3.3Å; Y250-F252 PolarHBondContact O-N 3.38Å; Y250-M253 WeakPolarHBondContact O-CB 3.45Å; Y250-M253 PolarHBondContact O-N 3.02Å; Y250-V254 HydrophobicContact CD2-CG2 4.08Å; Y250-V254 HydrophobicContact CE2-CG2 3.62Å; Y250-V254 WeakPolarHBondContact O-CG2 3.48Å; Y250-V254 PolarHBondContact O-N 3.16Å; Y250-E268 WeakPolarHBondContact CE2-O 2.88Å; Y250-E268 VanDerWaalsContact OH-C 3.3Å; Y250-E268 VanDerWaalsContact OH-CA 3.31Å; Y250-E268 WeakPolarHBondContact OH-CA 3.25Å; Y250-E268 WeakPolarHBondContact OH-CB 3.33Å; Y250-E268 PolarHBondContact OH-O 3.47Å; Y250-M271 HydrophobicContact CD2-CB 4.3Å; Y250-M271 HydrophobicContact CE2-CB 4.11Å; Y250-K272 HydrophobicContact CE2-CB 3.74Å
251	K	98.8	Very high	97.9	Very high	117 Å²	117	35.8 Å²	35.8	51%	0.509	19%	0.188	S	C	.	.	H	α-helix	trans	-58.5	-43.9	177	178.3	165.7	175.6	45	0	111.4	D247 A248 L249 M253 V254 D255	D247-K251 WeakPolarHBondContact O-CB 3.34Å; D247-K251 PolarHBondContact O-N 3.23Å; A248-K251 PolarHBondContact O-N 3.45Å; L249-K251 PolarHBondContact O-N 3Å; K251-M253 PolarHBondContact O-N 3.15Å; K251-V254 PolarHBondContact O-N 2.54Å; K251-D255 WeakPolarHBondContact CE-OD2 3.43Å; K251-D255 IonicContact NZ-OD1 2.78Å; K251-D255 PolarHBondContact NZ-OD1 2.96Å; K251-D255 IonicContact NZ-OD2 3.74Å; K251-D255 PolarHBondContact NZ-OD2 3.15Å; K251-D255 WeakPolarHBondContact O-CB 3.31Å; K251-D255 VanDerWaalsContact O-CG 3.29Å; K251-D255 PolarHBondContact O-N 3.41Å
252	F	98.8	Very high	98.1	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.018	17%	0.172	C	C	.	.	H	α-helix	trans	-63.7	-40.7	179.2	-178.2	-134.8	0	0	0	112.8	A248 L249 Y250 T256 W368 Y372 I375 R385 W386 F389	A248-F252 VanDerWaalsContact O-CB 3.31Å; A248-F252 WeakPolarHBondContact O-CB 3.22Å; A248-F252 PolarHBondContact O-N 2.92Å; L249-F252 PolarHBondContact O-N 2.92Å; Y250-F252 VanDerWaalsContact C-N 3.3Å; Y250-F252 PolarHBondContact O-N 3.38Å; F252-T256 WeakPolarHBondContact CE2-OG1 3.4Å; F252-T256 VanDerWaalsContact O-CB 3.25Å; F252-T256 WeakPolarHBondContact O-CB 3.5Å; F252-T256 PolarHBondContact O-N 3.28Å; F252-T256 PolarHBondContact O-OG1 2.78Å; F252-W368 AromaticContact CD1-CH2 3.69Å; F252-W368 HydrophobicContact CD1-CH2 3.69Å; F252-W368 HydrophobicContact CD1-CZ2 4.19Å; F252-W368 AromaticContact CE1-CH2 3.88Å; F252-W368 HydrophobicContact CE1-CH2 3.88Å; F252-W368 HydrophobicContact CE1-CZ2 4.46Å; F252-W368 HydrophobicContact CG-CH2 4.33Å; F252-Y372 HydrophobicContact CD1-CD2 4.36Å; F252-Y372 HydrophobicContact CD1-CE2 4.27Å; F252-Y372 AromaticContact CE1-CD2 3.68Å; F252-Y372 HydrophobicContact CE1-CD2 3.68Å; F252-Y372 AromaticContact CE1-CE2 3.67Å; F252-Y372 HydrophobicContact CE1-CE2 3.67Å; F252-I375 HydrophobicContact CE1-CD1 3.9Å; F252-I375 HydrophobicContact CE2-CD1 3.93Å; F252-I375 HydrophobicContact CZ-CD1 3.25Å; F252-I375 HydrophobicContact CZ-CG1 4.48Å; F252-I375 HydrophobicContact CZ-CG2 4.27Å; F252-R385 HydrophobicContact CD2-CB 4.15Å; F252-R385 WeakPolarHBondContact CD2-O 3.3Å; F252-R385 HydrophobicContact CE2-CB 3.98Å; F252-W386 HydrophobicContact CE2-CB 4.06Å; F252-W386 HydrophobicContact CZ-CB 3.81Å; F252-W386 AromaticContact CZ-CD1 3.95Å; F252-W386 HydrophobicContact CZ-CG 4.32Å; F252-F389 HydrophobicContact CB-CB 4.05Å; F252-F389 HydrophobicContact CB-CD2 4.3Å; F252-F389 HydrophobicContact CB-CG 4.16Å; F252-F389 HydrophobicContact CD1-CB 4.2Å; F252-F389 AromaticContact CD1-CD1 3.81Å; F252-F389 HydrophobicContact CD1-CD1 3.81Å; F252-F389 HydrophobicContact CD1-CE1 4.32Å; F252-F389 AromaticContact CD1-CG 3.95Å; F252-F389 HydrophobicContact CD1-CG 3.95Å; F252-F389 HydrophobicContact CD2-CB 4.29Å; F252-F389 HydrophobicContact CE1-CD1 4.09Å; F252-F389 HydrophobicContact CG-CB 3.94Å; F252-F389 HydrophobicContact CG-CD1 4.4Å; F252-F389 HydrophobicContact CG-CG 4.11Å
253	M	98.8	Very high	98.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.6	-49.3	173.1	-72.2	171.9	175.9	0	0	111.7	L249 Y250 K251 A257 M271 V274 L275 W368	L249-M253 HydrophobicContact CD1-CE 3.85Å; L249-M253 HydrophobicContact CD1-CG 4.37Å; L249-M253 HydrophobicContact CD2-CE 3.79Å; L249-M253 HydrophobicContact CG-CE 3.67Å; L249-M253 HydrophobicContact CG-SD 4.34Å; L249-M253 WeakPolarHBondContact O-CG 3.47Å; L249-M253 PolarHBondContact O-N 3.04Å; Y250-M253 WeakPolarHBondContact O-CB 3.45Å; Y250-M253 PolarHBondContact O-N 3.02Å; K251-M253 PolarHBondContact O-N 3.15Å; M253-A257 WeakPolarHBondContact O-CB 3.49Å; M253-A257 PolarHBondContact O-N 3.39Å; M253-M271 HydrophobicContact CB-CB 3.83Å; M253-M271 HydrophobicContact CB-CG 3.76Å; M253-M271 HydrophobicContact CB-SD 3.83Å; M253-M271 HydrophobicContact CG-SD 4.46Å; M253-V274 HydrophobicContact CE-CG1 4.07Å; M253-V274 HydrophobicContact SD-CG1 4.13Å; M253-L275 HydrophobicContact SD-CB 4.44Å; M253-W368 HydrophobicContact CB-CE3 4.44Å; M253-W368 HydrophobicContact CB-CH2 4.2Å; M253-W368 HydrophobicContact CB-CZ2 4.38Å; M253-W368 HydrophobicContact CB-CZ3 4.25Å; M253-W368 HydrophobicContact CE-CZ2 4.18Å; M253-W368 VanDerWaalsContact CE-NE1 3.27Å; M253-W368 HydrophobicContact CG-CD2 3.82Å; M253-W368 VanDerWaalsContact CG-CE2 3.46Å; M253-W368 HydrophobicContact CG-CE3 4.08Å; M253-W368 HydrophobicContact CG-CH2 3.66Å; M253-W368 HydrophobicContact CG-CZ2 3.37Å; M253-W368 HydrophobicContact CG-CZ3 4.02Å
254	V	98.9	Very high	98.1	Very high	10 Å²	10	34 Å²	34	6%	0.061	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-53	-179.5	174	0	0	0	0	111	Y250 K251 T256 A257 V258 A267 E268 M271	Y250-V254 HydrophobicContact CD2-CG2 4.08Å; Y250-V254 HydrophobicContact CE2-CG2 3.62Å; Y250-V254 WeakPolarHBondContact O-CG2 3.48Å; Y250-V254 PolarHBondContact O-N 3.16Å; K251-V254 PolarHBondContact O-N 2.54Å; V254-T256 VanDerWaalsContact C-N 3.25Å; V254-T256 PolarHBondContact O-N 3.42Å; V254-A257 PolarHBondContact O-N 2.79Å; V254-A257 VanDerWaalsContact O-N 3.13Å; V254-V258 HydrophobicContact CG1-CG2 4.42Å; V254-V258 WeakPolarHBondContact O-CG2 3.47Å; V254-V258 PolarHBondContact O-N 3.12Å; V254-A267 HydrophobicContact CG1-CB 4.11Å; V254-E268 HydrophobicContact CG1-CG 3.96Å; V254-E268 HydrophobicContact CG2-CG 4.42Å; V254-M271 HydrophobicContact CG2-CB 3.83Å; V254-M271 HydrophobicContact CG2-CG 4.19Å
255	D	98.6	Very high	98	Very high	35 Å²	35	35.9 Å²	35.9	19%	0.187	20%	0.204	C	C	.	.	H	α-helix	trans	-59.2	-39.2	-178	-72.4	-7.9	0	0	0	110.9	K251 V258 L259 R385	K251-D255 WeakPolarHBondContact CE-OD2 3.43Å; K251-D255 IonicContact NZ-OD1 2.78Å; K251-D255 PolarHBondContact NZ-OD1 2.96Å; K251-D255 IonicContact NZ-OD2 3.74Å; K251-D255 PolarHBondContact NZ-OD2 3.15Å; K251-D255 WeakPolarHBondContact O-CB 3.31Å; K251-D255 VanDerWaalsContact O-CG 3.29Å; K251-D255 PolarHBondContact O-N 3.41Å; D255-V258 PolarHBondContact O-N 2.76Å; D255-L259 WeakPolarHBondContact O-CB 3.2Å; D255-L259 VanDerWaalsContact O-CG 3.3Å; D255-L259 WeakPolarHBondContact O-CG 3.35Å; D255-L259 PolarHBondContact O-N 3.13Å; D255-R385 HydrophobicContact CB-CG 4.49Å
256	T	98.6	Very high	98	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-66.7	-44.3	176.9	-60.1	0	0	0	0	112	F252 V254 V258 L259 L260 W368 V371 I375	F252-T256 WeakPolarHBondContact CE2-OG1 3.4Å; F252-T256 VanDerWaalsContact O-CB 3.25Å; F252-T256 WeakPolarHBondContact O-CB 3.5Å; F252-T256 PolarHBondContact O-N 3.28Å; F252-T256 PolarHBondContact O-OG1 2.78Å; V254-T256 VanDerWaalsContact C-N 3.25Å; V254-T256 PolarHBondContact O-N 3.42Å; T256-V258 VanDerWaalsContact C-N 3.32Å; T256-V258 PolarHBondContact O-N 3.47Å; T256-L259 PolarHBondContact O-N 3.24Å; T256-L260 HydrophobicContact CG2-CD1 4.14Å; T256-L260 WeakPolarHBondContact O-CG 3.42Å; T256-L260 PolarHBondContact O-N 2.91Å; T256-L260 VanDerWaalsContact O-N 3.11Å; T256-W368 HydrophobicContact CG2-CZ3 4.2Å; T256-V371 HydrophobicContact CG2-CG1 3.68Å; T256-I375 HydrophobicContact CG2-CD1 3.95Å; T256-I375 HydrophobicContact CG2-CG1 4.46Å
257	A	98.5	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-42.8	176.9	0	0	0	0	0	111.2	W167 V169 M253 V254 L260 G261 A262 A267	W167-A257 HydrophobicContact CH2-CB 3.78Å; W167-A257 HydrophobicContact CZ2-CB 4.39Å; W167-A257 HydrophobicContact CZ3-CB 4.15Å; V169-A257 HydrophobicContact CG1-CB 4.1Å; V169-A257 HydrophobicContact CG2-CB 4.35Å; M253-A257 WeakPolarHBondContact O-CB 3.49Å; M253-A257 PolarHBondContact O-N 3.39Å; V254-A257 PolarHBondContact O-N 2.79Å; V254-A257 VanDerWaalsContact O-N 3.13Å; A257-L260 CarbonylContact O-C 3.54Å; A257-L260 PolarHBondContact O-N 2.81Å; A257-G261 PolarHBondContact O-N 3.05Å; A257-A262 HydrophobicContact CB-CB 3.94Å; A257-A262 WeakPolarHBondContact O-CB 3.29Å; A257-A262 PolarHBondContact O-N 2.87Å; A257-A267 HydrophobicContact CB-CB 4.04Å
258	V	98.1	Very high	98	Very high	57 Å²	57	36.5 Å²	36.5	35%	0.345	20%	0.202	S	C	.	.	H	α-helix	trans	-65	-42.9	176.9	173.3	0	0	0	0	111.4	V254 D255 T256 L260 G261 A267	V254-V258 HydrophobicContact CG1-CG2 4.42Å; V254-V258 WeakPolarHBondContact O-CG2 3.47Å; V254-V258 PolarHBondContact O-N 3.12Å; D255-V258 PolarHBondContact O-N 2.76Å; T256-V258 VanDerWaalsContact C-N 3.32Å; T256-V258 PolarHBondContact O-N 3.47Å; V258-L260 PolarHBondContact O-N 2.83Å; V258-G261 WeakPolarHBondContact O-CA 3.43Å; V258-G261 PolarHBondContact O-N 3.5Å; V258-A267 HydrophobicContact CG2-CB 3.95Å
259	L	97.4	Very high	98	Very high	44 Å²	44	40.6 Å²	40.6	23%	0.23	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-26.5	174.3	-78.1	179.8	0	0	0	113.3	D255 T256 G261 F382 R385	D255-L259 WeakPolarHBondContact O-CB 3.2Å; D255-L259 VanDerWaalsContact O-CG 3.3Å; D255-L259 WeakPolarHBondContact O-CG 3.35Å; D255-L259 PolarHBondContact O-N 3.13Å; T256-L259 PolarHBondContact O-N 3.24Å; L259-G261 VanDerWaalsContact C-N 3.32Å; L259-F382 HydrophobicContact CB-CD1 4.34Å; L259-F382 HydrophobicContact CB-CE1 3.58Å; L259-F382 HydrophobicContact CB-CZ 3.91Å; L259-F382 HydrophobicContact CD1-CD1 4.01Å; L259-F382 HydrophobicContact CD1-CE1 4.07Å; L259-F382 HydrophobicContact CG-CE1 4.49Å; L259-R385 HydrophobicContact CD1-CB 4.49Å; L259-R385 HydrophobicContact CD1-CG 3.55Å
260	L	97.3	Very high	98	Very high	5 Å²	5	41 Å²	41	3%	0.026	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	2.8	174.6	-69.8	167.4	0	0	0	113.3	A153 L156 L157 L160 W167 L170 T256 A257 V258 V371 F382	A153-L260 HydrophobicContact CB-CD2 3.79Å; L156-L260 HydrophobicContact CD2-CD1 4.07Å; L156-L260 HydrophobicContact CD2-CD2 4.13Å; L157-L260 HydrophobicContact CD2-CB 4.24Å; L157-L260 HydrophobicContact CD2-CD2 3.8Å; L157-L260 HydrophobicContact CG-CD2 4.16Å; L160-L260 HydrophobicContact CD1-CD1 4.39Å; W167-L260 HydrophobicContact CE3-CD1 4.29Å; W167-L260 HydrophobicContact CZ3-CD1 3.67Å; L170-L260 HydrophobicContact CD1-CB 4.45Å; L170-L260 HydrophobicContact CD2-CB 3.99Å; T256-L260 HydrophobicContact CG2-CD1 4.14Å; T256-L260 WeakPolarHBondContact O-CG 3.42Å; T256-L260 PolarHBondContact O-N 2.91Å; T256-L260 VanDerWaalsContact O-N 3.11Å; A257-L260 CarbonylContact O-C 3.54Å; A257-L260 PolarHBondContact O-N 2.81Å; V258-L260 PolarHBondContact O-N 2.83Å; L260-V371 HydrophobicContact CD1-CG1 3.81Å; L260-V371 HydrophobicContact CD1-CG2 4.48Å; L260-F382 HydrophobicContact CD2-CE1 3.98Å; L260-F382 HydrophobicContact CD2-CZ 3.82Å; L260-F382 HydrophobicContact CG-CE1 3.9Å; L260-F382 HydrophobicContact CG-CZ 4.15Å
261	G	95.9	Very high	98	Very high	34 Å²	34	38.4 Å²	38.4	35%	0.351	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.9	13.2	173.2	0	0	0	0	0	115.3	N173 A257 V258 L259	N173-G261 WeakPolarHBondContact CB-O 3.49Å; N173-G261 PolarHBondContact ND2-O 3.4Å; A257-G261 PolarHBondContact O-N 3.05Å; V258-G261 WeakPolarHBondContact O-CA 3.43Å; V258-G261 PolarHBondContact O-N 3.5Å; L259-G261 VanDerWaalsContact C-N 3.32Å
262	A	97.4	Very high	98	Very high	9 Å²	9	37.8 Å²	37.8	7%	0.074	21%	0.208	C	C	.	.			trans	-67.1	149.6	172	0	0	0	0	0	112.1	V169 L170 A257 A267	V169-A262 HydrophobicContact CG2-CB 4.06Å; L170-A262 HydrophobicContact CD2-CB 3.99Å; A257-A262 HydrophobicContact CB-CB 3.94Å; A257-A262 WeakPolarHBondContact O-CB 3.29Å; A257-A262 PolarHBondContact O-N 2.87Å; A262-A267 HydrophobicContact CB-CB 4.07Å
263	N	96.9	Very high	98	Very high	82 Å²	82	38.2 Å²	38.2	44%	0.439	21%	0.211	S	C	.	.			trans	-66.4	134.5	163.6	173.6	-81.9	0	0	0	110.2	S265 R266 A267	N263-S265 PolarHBondContact OD1-N 3.08Å; N263-S265 VanDerWaalsContact OD1-N 3.15Å; N263-R266 HydrophobicContact CB-CB 4.26Å; N263-R266 PolarHBondContact O-N 3.48Å; N263-R266 PolarHBondContact OD1-N 3.19Å; N263-R266 VanDerWaalsContact OD1-N 3.17Å; N263-A267 WeakPolarHBondContact O-CB 3.42Å; N263-A267 PolarHBondContact O-N 2.84Å
264	S	96.9	Very high	98	Very high	56 Å²	56	38.2 Å²	38.2	39%	0.392	21%	0.211	S	C	.	.	H	α-helix	trans	-58	-53.5	-174.5	-162.9	0	0	0	0	113.3	R266 A267 E268	S264-R266 PolarHBondContact O-N 2.66Å; S264-A267 WeakPolarHBondContact O-CB 3.46Å; S264-A267 PolarHBondContact O-N 2.7Å; S264-E268 WeakPolarHBondContact O-CG 3.1Å; S264-E268 PolarHBondContact O-N 3.44Å; S264-E268 PolarHBondContact OG-OE1 3.11Å
265	S	96.9	Very high	98	Very high	85 Å²	85	38.6 Å²	38.6	59%	0.594	21%	0.213	S	C	*	.	H	α-helix	trans	-61.9	-34.5	-177.9	-52.6	0	0	0	0	112.1	N263 H269	N263-S265 PolarHBondContact OD1-N 3.08Å; N263-S265 VanDerWaalsContact OD1-N 3.15Å; S265-H269 PolarHBondContact O-N 2.97Å
266	R	96.3	Very high	98	Very high	72 Å²	72	43.9 Å²	43.9	27%	0.272	23%	0.23	S	C	.	.	H	α-helix	trans	-70	-45.8	172.7	-178.3	174.7	-66.1	138	-11.2	112	V169 E171 N263 S264 E268 H269 D270	V169-R266 HydrophobicContact CG2-CG 4.42Å; E171-R266 IonicContact OE1-CZ 2.9Å; E171-R266 IonicContact OE1-NE 3.45Å; E171-R266 PolarHBondContact OE1-NE 2.91Å; E171-R266 IonicContact OE1-NH1 3.22Å; E171-R266 PolarHBondContact OE1-NH1 3.12Å; E171-R266 IonicContact OE1-NH2 2.78Å; E171-R266 PolarHBondContact OE1-NH2 3.05Å; E171-R266 IonicContact OE2-CZ 3.08Å; E171-R266 IonicContact OE2-NH1 2.62Å; E171-R266 PolarHBondContact OE2-NH1 3.47Å; E171-R266 IonicContact OE2-NH2 2.96Å; E171-R266 PolarHBondContact OE2-NH2 2.92Å; N263-R266 HydrophobicContact CB-CB 4.26Å; N263-R266 PolarHBondContact O-N 3.48Å; N263-R266 PolarHBondContact OD1-N 3.19Å; N263-R266 VanDerWaalsContact OD1-N 3.17Å; S264-R266 PolarHBondContact O-N 2.66Å; R266-E268 VanDerWaalsContact C-N 3.26Å; R266-E268 PolarHBondContact O-N 3.19Å; R266-H269 PolarHBondContact O-N 3.39Å; R266-D270 WeakPolarHBondContact O-CB 3.37Å; R266-D270 PolarHBondContact O-N 3.34Å
267	A	98.4	Very high	98	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.1	-45.1	177.8	0	0	0	0	0	110.4	V169 V254 A257 V258 A262 N263 S264 H269 M271	V169-A267 HydrophobicContact CG2-CB 4.22Å; V254-A267 HydrophobicContact CG1-CB 4.11Å; A257-A267 HydrophobicContact CB-CB 4.04Å; V258-A267 HydrophobicContact CG2-CB 3.95Å; A262-A267 HydrophobicContact CB-CB 4.07Å; N263-A267 WeakPolarHBondContact O-CB 3.42Å; N263-A267 PolarHBondContact O-N 2.84Å; S264-A267 WeakPolarHBondContact O-CB 3.46Å; S264-A267 PolarHBondContact O-N 2.7Å; A267-H269 PolarHBondContact O-N 2.99Å; A267-M271 WeakPolarHBondContact O-CB 3.48Å; A267-M271 WeakPolarHBondContact O-CG 3.49Å; A267-M271 PolarHBondContact O-N 3.22Å
268	E	98.6	Very high	98	Very high	86 Å²	86	43.8 Å²	43.8	40%	0.402	23%	0.23	S	C	.	.	H	α-helix	trans	-56.3	-50.4	174.4	-74	166	-151.1	0	0	112.4	Y250 V254 S264 R266 K272	Y250-E268 WeakPolarHBondContact CE2-O 2.88Å; Y250-E268 VanDerWaalsContact OH-C 3.3Å; Y250-E268 VanDerWaalsContact OH-CA 3.31Å; Y250-E268 WeakPolarHBondContact OH-CA 3.25Å; Y250-E268 WeakPolarHBondContact OH-CB 3.33Å; Y250-E268 PolarHBondContact OH-O 3.47Å; V254-E268 HydrophobicContact CG1-CG 3.96Å; V254-E268 HydrophobicContact CG2-CG 4.42Å; S264-E268 WeakPolarHBondContact O-CG 3.1Å; S264-E268 PolarHBondContact O-N 3.44Å; S264-E268 PolarHBondContact OG-OE1 3.11Å; R266-E268 VanDerWaalsContact C-N 3.26Å; R266-E268 PolarHBondContact O-N 3.19Å; E268-K272 VanDerWaalsContact O-CB 3.22Å; E268-K272 WeakPolarHBondContact O-CB 3.5Å; E268-K272 PolarHBondContact O-N 3.27Å; E268-K272 VanDerWaalsContact O-N 3.14Å
269	H	98.5	Very high	98	Very high	102 Å²	102	43 Å²	43	47%	0.472	22%	0.223	S	C	.	.	H	α-helix	trans	-66	-48.8	-179.6	172	-86	0	0	0	112.8	S265 R266 A267 K272 S273	S265-H269 PolarHBondContact O-N 2.97Å; R266-H269 PolarHBondContact O-N 3.39Å; A267-H269 PolarHBondContact O-N 2.99Å; H269-K272 PolarHBondContact O-N 2.92Å; H269-S273 PolarHBondContact O-N 2.83Å; H269-S273 PolarHBondContact O-OG 3.38Å
270	D	98.6	Very high	98.1	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-70	-43.3	-175.4	-82.1	12.7	0	0	0	110.9	V169 R266 K272 S273 V274 K360 N364	V169-D270 HydrophobicContact CG2-CB 4.09Å; R266-D270 WeakPolarHBondContact O-CB 3.37Å; R266-D270 PolarHBondContact O-N 3.34Å; D270-K272 VanDerWaalsContact C-N 3.29Å; D270-K272 PolarHBondContact O-N 2.94Å; D270-S273 WeakPolarHBondContact O-CA 3.44Å; D270-S273 WeakPolarHBondContact O-CB 3.14Å; D270-S273 PolarHBondContact O-N 3.34Å; D270-S273 VanDerWaalsContact O-N 3.1Å; D270-V274 WeakPolarHBondContact O-CG2 3.42Å; D270-V274 PolarHBondContact O-N 3.06Å; D270-K360 IonicContact OD1-NZ 3.74Å; D270-K360 PolarHBondContact OD1-NZ 3.41Å; D270-K360 WeakPolarHBondContact OD2-CE 3.44Å; D270-K360 IonicContact OD2-NZ 3.33Å; D270-K360 PolarHBondContact OD2-NZ 2.84Å; D270-N364 PolarHBondContact OD2-ND2 3.24Å
271	M	98.8	Very high	98.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.5	-27.3	178.2	-63.9	-57.7	100.4	0	0	112.3	W167 V169 Y250 M253 V254 A267 S273 V274 L275 N364	W167-M271 HydrophobicContact CZ2-CE 4.07Å; W167-M271 HydrophobicContact CZ2-SD 4.03Å; V169-M271 HydrophobicContact CB-CE 4.24Å; V169-M271 HydrophobicContact CG1-CE 4.41Å; V169-M271 HydrophobicContact CG2-CE 4.26Å; Y250-M271 HydrophobicContact CD2-CB 4.3Å; Y250-M271 HydrophobicContact CE2-CB 4.11Å; M253-M271 HydrophobicContact CB-CB 3.83Å; M253-M271 HydrophobicContact CB-CG 3.76Å; M253-M271 HydrophobicContact CB-SD 3.83Å; M253-M271 HydrophobicContact CG-SD 4.46Å; V254-M271 HydrophobicContact CG2-CB 3.83Å; V254-M271 HydrophobicContact CG2-CG 4.19Å; A267-M271 WeakPolarHBondContact O-CB 3.48Å; A267-M271 WeakPolarHBondContact O-CG 3.49Å; A267-M271 PolarHBondContact O-N 3.22Å; M271-S273 VanDerWaalsContact C-N 3.3Å; M271-S273 PolarHBondContact O-N 3.26Å; M271-V274 HydrophobicContact CE-CG2 3.79Å; M271-V274 WeakPolarHBondContact O-CB 3.41Å; M271-V274 PolarHBondContact O-N 2.84Å; M271-V274 HydrophobicContact SD-CG2 4.32Å; M271-L275 PolarHBondContact O-N 3.46Å; M271-N364 HydrophobicContact CE-CB 4.18Å
272	K	98.8	Very high	98.3	Very high	105 Å²	105	42.9 Å²	42.9	46%	0.457	21%	0.211	S	C	.	.	H	α-helix	trans	-66.2	-36.1	171	-169.7	168.5	-169.3	167	0	111.3	Y250 E268 H269 D270 R276	Y250-K272 HydrophobicContact CE2-CB 3.74Å; E268-K272 VanDerWaalsContact O-CB 3.22Å; E268-K272 WeakPolarHBondContact O-CB 3.5Å; E268-K272 PolarHBondContact O-N 3.27Å; E268-K272 VanDerWaalsContact O-N 3.14Å; H269-K272 PolarHBondContact O-N 2.92Å; D270-K272 VanDerWaalsContact C-N 3.29Å; D270-K272 PolarHBondContact O-N 2.94Å; K272-R276 VanDerWaalsContact O-CG 3.3Å; K272-R276 WeakPolarHBondContact O-CG 3.31Å; K272-R276 PolarHBondContact O-N 3.34Å; K272-R276 VanDerWaalsContact O-N 3.12Å
273	S	98.8	Very high	98.3	Very high	13 Å²	13	47.7 Å²	47.7	9%	0.091	23%	0.232	C	C	.	.	H	α-helix	trans	-68.4	-38.7	172.4	-59.7	0	0	0	0	111.8	H269 D270 M271 R276 L277 R358	H269-S273 PolarHBondContact O-N 2.83Å; H269-S273 PolarHBondContact O-OG 3.38Å; D270-S273 WeakPolarHBondContact O-CA 3.44Å; D270-S273 WeakPolarHBondContact O-CB 3.14Å; D270-S273 PolarHBondContact O-N 3.34Å; D270-S273 VanDerWaalsContact O-N 3.1Å; M271-S273 VanDerWaalsContact C-N 3.3Å; M271-S273 PolarHBondContact O-N 3.26Å; S273-R276 PolarHBondContact O-N 3.03Å; S273-L277 PolarHBondContact O-N 3.26Å; S273-R358 PolarHBondContact OG-NH2 2.83Å
274	V	98.9	Very high	98.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.6	-47.1	175.2	171.5	0	0	0	0	111.4	M253 D270 M271 R276 L277 E278 N364 Y365 W368	M253-V274 HydrophobicContact CE-CG1 4.07Å; M253-V274 HydrophobicContact SD-CG1 4.13Å; D270-V274 WeakPolarHBondContact O-CG2 3.42Å; D270-V274 PolarHBondContact O-N 3.06Å; M271-V274 HydrophobicContact CE-CG2 3.79Å; M271-V274 WeakPolarHBondContact O-CB 3.41Å; M271-V274 PolarHBondContact O-N 2.84Å; M271-V274 HydrophobicContact SD-CG2 4.32Å; V274-R276 PolarHBondContact O-N 3.48Å; V274-L277 WeakPolarHBondContact O-CB 3.5Å; V274-L277 PolarHBondContact O-N 3.13Å; V274-E278 PolarHBondContact O-N 3.34Å; V274-N364 HydrophobicContact CG2-CB 3.61Å; V274-Y365 HydrophobicContact CG1-CD2 3.81Å; V274-Y365 HydrophobicContact CG1-CG 4.46Å; V274-W368 HydrophobicContact CG1-CG 4.44Å
275	L	98.9	Very high	98.4	Very high	18 Å²	18	43.7 Å²	43.7	9%	0.094	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-43.2	176.8	177	60.8	0	0	0	111.7	Y235 L249 M253 M271 L277 E278 I279	Y235-L275 HydrophobicContact CD1-CD1 4.46Å; Y235-L275 HydrophobicContact CE1-CD1 4.11Å; L249-L275 HydrophobicContact CD2-CD1 4.04Å; M253-L275 HydrophobicContact SD-CB 4.44Å; M271-L275 PolarHBondContact O-N 3.46Å; L275-L277 VanDerWaalsContact C-N 3.3Å; L275-L277 PolarHBondContact O-N 2.82Å; L275-E278 PolarHBondContact O-N 3.46Å; L275-E278 VanDerWaalsContact O-N 3.16Å; L275-I279 HydrophobicContact CD1-CD1 4.34Å; L275-I279 HydrophobicContact CD1-CG1 4.37Å; L275-I279 HydrophobicContact CG-CD1 4.07Å; L275-I279 WeakPolarHBondContact O-CG1 3.21Å; L275-I279 PolarHBondContact O-N 3.23Å
276	R	98.8	Very high	98.4	Very high	145 Å²	145	41.5 Å²	41.5	55%	0.547	19%	0.187	S	C	.	.	H	α-helix	trans	-59.8	-40.3	175.5	-75.5	172.9	-179.4	166.2	-2.6	112.4	K272 S273 V274 I279 K280	K272-R276 VanDerWaalsContact O-CG 3.3Å; K272-R276 WeakPolarHBondContact O-CG 3.31Å; K272-R276 PolarHBondContact O-N 3.34Å; K272-R276 VanDerWaalsContact O-N 3.12Å; S273-R276 PolarHBondContact O-N 3.03Å; V274-R276 PolarHBondContact O-N 3.48Å; R276-I279 PolarHBondContact O-N 3.16Å; R276-K280 WeakPolarHBondContact O-CG 3.3Å; R276-K280 PolarHBondContact O-N 2.91Å; R276-K280 VanDerWaalsContact O-N 3.12Å
277	L	98.9	Very high	98.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.1	-45.1	174	175.4	55	0	0	0	111.1	S273 V274 L275 I279 K280 I281 I353 E357 T361 I362 Y365	S273-L277 PolarHBondContact O-N 3.26Å; V274-L277 WeakPolarHBondContact O-CB 3.5Å; V274-L277 PolarHBondContact O-N 3.13Å; L275-L277 VanDerWaalsContact C-N 3.3Å; L275-L277 PolarHBondContact O-N 2.82Å; L277-I279 VanDerWaalsContact C-N 3.32Å; L277-I279 PolarHBondContact O-N 3.17Å; L277-K280 WeakPolarHBondContact O-CB 3.42Å; L277-K280 PolarHBondContact O-N 3.39Å; L277-I281 HydrophobicContact CD1-CD1 4.02Å; L277-I281 HydrophobicContact CD1-CG1 4.33Å; L277-I281 HydrophobicContact CG-CD1 3.96Å; L277-I281 WeakPolarHBondContact O-CD1 3.37Å; L277-I281 WeakPolarHBondContact O-CG1 3.33Å; L277-I281 PolarHBondContact O-N 3.31Å; L277-I353 HydrophobicContact CD1-CG2 3.76Å; L277-E357 HydrophobicContact CD1-CG 3.96Å; L277-T361 HydrophobicContact CB-CG2 4.13Å; L277-T361 HydrophobicContact CD2-CG2 3.97Å; L277-I362 HydrophobicContact CD2-CG1 4.43Å; L277-Y365 HydrophobicContact CD2-CG 4.23Å
278	E	98.7	Very high	97.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.3	-36.8	178.7	-159.4	169.3	-140.7	0	0	112.5	L227 S228 Y235 L249 V274 L275 I281 A282 Y365 R369	L227-E278 HydrophobicContact CB-CG 4.46Å; L227-E278 HydrophobicContact CD2-CG 3.89Å; S228-E278 WeakPolarHBondContact CB-OE1 3.05Å; S228-E278 WeakPolarHBondContact CB-OE2 3.43Å; S228-E278 PolarHBondContact N-OE1 3.31Å; S228-E278 PolarHBondContact OG-OE1 3.38Å; Y235-E278 HydrophobicContact CE1-CB 4.21Å; Y235-E278 HydrophobicContact CE1-CG 3.85Å; Y235-E278 PolarHBondContact OH-OE1 3.04Å; Y235-E278 PolarHBondContact OH-OE2 3.01Å; L249-E278 WeakPolarHBondContact CD2-OE2 3.44Å; V274-E278 PolarHBondContact O-N 3.34Å; L275-E278 PolarHBondContact O-N 3.46Å; L275-E278 VanDerWaalsContact O-N 3.16Å; E278-I281 PolarHBondContact O-N 3.32Å; E278-A282 PolarHBondContact O-N 3.49Å; E278-Y365 HydrophobicContact CB-CD2 4.41Å; E278-Y365 HydrophobicContact CB-CE2 3.81Å; E278-Y365 HydrophobicContact CG-CE2 3.74Å; E278-Y365 PolarHBondContact OE1-OH 3.45Å; E278-R369 IonicContact OE1-NH1 3.6Å; E278-R369 PolarHBondContact OE1-NH1 2.87Å
279	I	98.8	Very high	97	Very high	41 Å²	41	42.2 Å²	42.2	21%	0.21	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-48.2	171.9	-68.3	164.7	0	0	0	111	Y235 L275 R276 L277 I281 A282 E283	Y235-I279 HydrophobicContact CD1-CG1 3.83Å; L275-I279 HydrophobicContact CD1-CD1 4.34Å; L275-I279 HydrophobicContact CD1-CG1 4.37Å; L275-I279 HydrophobicContact CG-CD1 4.07Å; L275-I279 WeakPolarHBondContact O-CG1 3.21Å; L275-I279 PolarHBondContact O-N 3.23Å; R276-I279 PolarHBondContact O-N 3.16Å; L277-I279 VanDerWaalsContact C-N 3.32Å; L277-I279 PolarHBondContact O-N 3.17Å; I279-I281 PolarHBondContact O-N 3.17Å; I279-A282 WeakPolarHBondContact O-CB 3.25Å; I279-A282 PolarHBondContact O-N 3.2Å; I279-E283 WeakPolarHBondContact O-CG 3.43Å; I279-E283 PolarHBondContact O-N 3.46Å
280	K	98.7	Very high	96.6	Very high	78 Å²	78	41.8 Å²	41.8	34%	0.339	20%	0.196	S	C	.	.	H	α-helix	trans	-58.9	-33.7	176.2	-70.4	178.5	179.2	-175.6	0	112.6	R276 L277 I353 E357	R276-K280 WeakPolarHBondContact O-CG 3.3Å; R276-K280 PolarHBondContact O-N 2.91Å; R276-K280 VanDerWaalsContact O-N 3.12Å; L277-K280 WeakPolarHBondContact O-CB 3.42Å; L277-K280 PolarHBondContact O-N 3.39Å; K280-I353 HydrophobicContact CB-CD1 4.19Å; K280-I353 HydrophobicContact CB-CG2 4.33Å; K280-I353 HydrophobicContact CD-CG2 4.33Å; K280-E357 IonicContact NZ-OE1 2.66Å; K280-E357 PolarHBondContact NZ-OE1 2.93Å
281	I	98.7	Very high	96.3	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-72.6	-41.9	176	-64.3	159.3	0	0	0	110.3	F203 L227 L277 E278 I279 E283 I284 M285 Y346 L350 Y365	F203-I281 HydrophobicContact CD1-CD1 3.83Å; F203-I281 HydrophobicContact CE1-CD1 3.37Å; F203-I281 HydrophobicContact CZ-CD1 4.47Å; L227-I281 HydrophobicContact CD2-CB 4.49Å; L227-I281 HydrophobicContact CD2-CG2 3.93Å; L277-I281 HydrophobicContact CD1-CD1 4.02Å; L277-I281 HydrophobicContact CD1-CG1 4.33Å; L277-I281 HydrophobicContact CG-CD1 3.96Å; L277-I281 WeakPolarHBondContact O-CD1 3.37Å; L277-I281 WeakPolarHBondContact O-CG1 3.33Å; L277-I281 PolarHBondContact O-N 3.31Å; E278-I281 PolarHBondContact O-N 3.32Å; I279-I281 PolarHBondContact O-N 3.17Å; I281-E283 VanDerWaalsContact C-N 3.25Å; I281-E283 PolarHBondContact O-N 3.38Å; I281-I284 WeakPolarHBondContact O-CG1 3.07Å; I281-I284 PolarHBondContact O-N 3.19Å; I281-M285 HydrophobicContact CG2-CG 4.38Å; I281-M285 HydrophobicContact CG2-SD 4.48Å; I281-M285 WeakPolarHBondContact O-CG 3.11Å; I281-M285 PolarHBondContact O-N 2.66Å; I281-M285 VanDerWaalsContact O-N 3.08Å; I281-Y346 HydrophobicContact CG2-CE2 4.07Å; I281-L350 HydrophobicContact CG1-CD1 4.28Å; I281-Y365 HydrophobicContact CD1-CE1 4.45Å
282	A	98.4	Very high	96	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.8	-40.8	174.7	0	0	0	0	0	111.6	L227 R232 Y235 L236 E278 I279 I284 M285	L227-A282 HydrophobicContact CD1-CB 3.59Å; R232-A282 HydrophobicContact CG-CB 4.37Å; R232-A282 PolarHBondContact NE-O 2.77Å; R232-A282 PolarHBondContact NH2-O 3.44Å; Y235-A282 HydrophobicContact CD2-CB 4.05Å; Y235-A282 HydrophobicContact CG-CB 3.87Å; L236-A282 HydrophobicContact CD2-CB 4.14Å; L236-A282 HydrophobicContact CG-CB 4.5Å; E278-A282 PolarHBondContact O-N 3.49Å; I279-A282 WeakPolarHBondContact O-CB 3.25Å; I279-A282 PolarHBondContact O-N 3.2Å; A282-I284 VanDerWaalsContact C-N 3.28Å; A282-I284 PolarHBondContact O-N 3.31Å; A282-M285 PolarHBondContact O-N 2.85Å
283	E	98.3	Very high	95.7	Very high	111 Å²	111	42 Å²	42	52%	0.519	20%	0.202	S	C	.	.	H	α-helix	trans	-55.1	-41.9	177.3	-71	169.4	173.9	0	0	112.3	R232 L236 I279 I281	R232-E283 PolarHBondContact NH2-O 2.72Å; L236-E283 HydrophobicContact CD2-CB 4.44Å; L236-E283 HydrophobicContact CD2-CG 3.55Å; I279-E283 WeakPolarHBondContact O-CG 3.43Å; I279-E283 PolarHBondContact O-N 3.46Å; I281-E283 VanDerWaalsContact C-N 3.25Å; I281-E283 PolarHBondContact O-N 3.38Å
284	I	98.3	Very high	95.5	Very high	31 Å²	31	45.6 Å²	45.6	16%	0.159	22%	0.217	C	C	.	.	H	α-helix	trans	-91.2	-10.9	-175.7	64.9	157	0	0	0	114.4	I281 A282 Y346 D349 L350 I353	I281-I284 WeakPolarHBondContact O-CG1 3.07Å; I281-I284 PolarHBondContact O-N 3.19Å; A282-I284 VanDerWaalsContact C-N 3.28Å; A282-I284 PolarHBondContact O-N 3.31Å; I284-Y346 HydrophobicContact CD1-CD2 3.7Å; I284-Y346 HydrophobicContact CD1-CE2 3.82Å; I284-Y346 HydrophobicContact CG1-CD2 3.86Å; I284-Y346 HydrophobicContact CG1-CE2 4.04Å; I284-D349 HydrophobicContact CB-CB 4.05Å; I284-D349 HydrophobicContact CD1-CB 3.9Å; I284-D349 HydrophobicContact CG2-CB 3.82Å; I284-L350 HydrophobicContact CD1-CB 3.81Å; I284-L350 VanDerWaalsContact CD1-N 3.32Å; I284-I353 HydrophobicContact CD1-CD1 3.85Å; I284-I353 HydrophobicContact CG1-CD1 4.18Å; I284-I353 HydrophobicContact CG2-CD1 3.86Å
285	M	97.8	Very high	95.3	Very high	22 Å²	22	47.8 Å²	47.8	11%	0.108	24%	0.235	C	C	.	.	S	Bend	trans	-63.6	137.5	177.9	-83.4	179.2	77.3	0	0	111	Q224 A225 L227 R232 I281 A282 P287 Y346	Q224-M285 HydrophobicContact CG-CE 4.14Å; A225-M285 WeakPolarHBondContact O-CE 3.36Å; L227-M285 HydrophobicContact CD1-SD 3.5Å; L227-M285 VanDerWaalsContact CD1-SD 3.5Å; L227-M285 HydrophobicContact CD2-SD 3.62Å; L227-M285 HydrophobicContact CG-CE 4.21Å; L227-M285 HydrophobicContact CG-SD 3.4Å; L227-M285 WeakPolarHBondContact CG-SD 2.76Å; R232-M285 PolarHBondContact NE-O 2.79Å; R232-M285 VanDerWaalsContact NE-O 3.17Å; I281-M285 HydrophobicContact CG2-CG 4.38Å; I281-M285 HydrophobicContact CG2-SD 4.48Å; I281-M285 WeakPolarHBondContact O-CG 3.11Å; I281-M285 PolarHBondContact O-N 2.66Å; I281-M285 VanDerWaalsContact O-N 3.08Å; A282-M285 PolarHBondContact O-N 2.85Å; M285-P287 VanDerWaalsContact O-CD 3.3Å; M285-P287 WeakPolarHBondContact O-CD 3.23Å; M285-Y346 HydrophobicContact CG-CD2 4.15Å; M285-Y346 HydrophobicContact CG-CE2 3.78Å
286	I	96.1	Very high	95.2	Very high	40 Å²	40	47.3 Å²	47.3	21%	0.205	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-73.3	121.8	175.1	-50	-54.8	0	0	0	108.2	Q224 N290 R291 V343	Q224-I286 PolarHBondContact NE2-O 2.84Å; I286-N290 HydrophobicContact CG2-CB 4Å; I286-R291 HydrophobicContact CB-CG 4.2Å; I286-R291 HydrophobicContact CG2-CG 3.7Å; I286-R291 WeakPolarHBondContact O-CD 3.31Å; I286-V343 HydrophobicContact CB-CG1 4.21Å; I286-V343 HydrophobicContact CG1-CB 4.1Å; I286-V343 HydrophobicContact CG1-CG1 3.71Å
287	P	91.9	Very high	95.2	Very high	30 Å²	30	42 Å²	42	20%	0.195	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-64.1	155.5	177.9	-21.7	33.6	0	0	0	112.4	M285 E289 N290 R291	M285-P287 VanDerWaalsContact O-CD 3.3Å; M285-P287 WeakPolarHBondContact O-CD 3.23Å; P287-E289 VanDerWaalsContact C-N 3.28Å; P287-E289 PolarHBondContact O-N 3.45Å; P287-N290 PolarHBondContact O-N 3.18Å; P287-N290 VanDerWaalsContact O-N 3.12Å; P287-R291 WeakPolarHBondContact O-CG 3.38Å
288	H	87.1	Confident	95.1	Very high	91 Å²	91	44.6 Å²	44.6	42%	0.421	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-57.5	-38.2	-176.3	-78.2	-55.8	0	0	0	113.8	N290 R291	H288-N290 PolarHBondContact O-N 3.03Å; H288-R291 PolarHBondContact O-N 2.96Å
289	E	85.6	Confident	95.1	Very high	52 Å²	52	48.4 Å²	48.4	24%	0.243	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-66.4	-19.2	-177.8	-60.8	80.3	-178.3	0	0	113.2	P287 K635 R638	P287-E289 VanDerWaalsContact C-N 3.28Å; P287-E289 PolarHBondContact O-N 3.45Å; E289-K635 IonicContact OE1-NZ 3.31Å; E289-R638 HydrophobicContact CG-CB 4.18Å
290	N	90.1	Very high	95.1	Very high	92 Å²	92	47.3 Å²	47.3	49%	0.492	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-100.2	-0.6	-179.4	-69.1	-0.3	0	0	0	112.7	I286 P287 H288 T292	I286-N290 HydrophobicContact CG2-CB 4Å; P287-N290 PolarHBondContact O-N 3.18Å; P287-N290 VanDerWaalsContact O-N 3.12Å; H288-N290 PolarHBondContact O-N 3.03Å; N290-T292 PolarHBondContact O-N 3.25Å
291	R	92.1	Very high	95.1	Very high	49 Å²	49	45.2 Å²	45.2	19%	0.185	23%	0.23	C	C	.	.			trans	-95.9	63.8	-174.5	-67.2	171	58.2	89.8	7.3	112	D223 Q224 I286 P287 H288 M296 V343	D223-R291 IonicContact OD1-CZ 3.7Å; D223-R291 IonicContact OD1-NH1 2.97Å; D223-R291 PolarHBondContact OD1-NH1 3.44Å; D223-R291 IonicContact OD1-NH2 3.73Å; D223-R291 PolarHBondContact OD1-NH2 2.78Å; D223-R291 IonicContact OD2-CZ 2.63Å; D223-R291 IonicContact OD2-NH1 2.64Å; D223-R291 IonicContact OD2-NH2 3.37Å; D223-R291 PolarHBondContact OD2-NH2 2.69Å; Q224-R291 VanDerWaalsContact CD-NH1 3.3Å; I286-R291 HydrophobicContact CB-CG 4.2Å; I286-R291 HydrophobicContact CG2-CG 3.7Å; I286-R291 WeakPolarHBondContact O-CD 3.31Å; P287-R291 WeakPolarHBondContact O-CG 3.38Å; H288-R291 PolarHBondContact O-N 2.96Å; R291-M296 HydrophobicContact CB-CG 4.15Å; R291-M296 HydrophobicContact CB-SD 3.92Å; R291-M296 HydrophobicContact CG-CE 4.3Å; R291-M296 HydrophobicContact CG-SD 3.82Å; R291-V343 VanDerWaalsContact NH1-CG1 3.27Å
292	T	92.6	Very high	95.1	Very high	57 Å²	57	45.2 Å²	45.2	35%	0.35	23%	0.23	S	C	.	.			trans	-76.5	155.4	175.6	71.1	0	0	0	0	112	N290 E294 A295 M296	N290-T292 PolarHBondContact O-N 3.25Å; T292-E294 VanDerWaalsContact C-N 3.27Å; T292-E294 PolarHBondContact O-N 3.03Å; T292-E294 PolarHBondContact OG1-OE2 3.5Å; T292-A295 PolarHBondContact O-N 3.25Å; T292-A295 VanDerWaalsContact OG1-CB 3.31Å; T292-A295 WeakPolarHBondContact OG1-CB 3.48Å; T292-A295 PolarHBondContact OG1-N 3.21Å; T292-M296 WeakPolarHBondContact O-CB 3.43Å; T292-M296 WeakPolarHBondContact O-CG 3.18Å; T292-M296 PolarHBondContact O-N 2.95Å
293	S	93.2	Very high	95.1	Very high	12 Å²	12	48.3 Å²	48.3	8%	0.084	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-40.2	178.3	-76.4	0	0	0	0	113.6	Y297 N589 Y593	S293-Y297 WeakPolarHBondContact O-CB 3.11Å; S293-Y297 PolarHBondContact O-N 3.22Å; S293-N589 PolarHBondContact OG-OD1 2.71Å; S293-Y593 WeakPolarHBondContact CB-OH 3.17Å; S293-Y593 PolarHBondContact OG-OH 2.92Å
294	E	93.5	Very high	95.1	Very high	87 Å²	87	47.8 Å²	47.8	41%	0.407	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-44.6	178.8	-51.5	94.2	136.4	0	0	111.9	T292 M296 Y297 K592 L599	T292-E294 VanDerWaalsContact C-N 3.27Å; T292-E294 PolarHBondContact O-N 3.03Å; T292-E294 PolarHBondContact OG1-OE2 3.5Å; E294-M296 PolarHBondContact O-N 3.23Å; E294-Y297 PolarHBondContact O-N 2.79Å; E294-Y297 VanDerWaalsContact O-N 3.15Å; E294-K592 WeakPolarHBondContact OE1-CD 3.31Å; E294-K592 WeakPolarHBondContact OE1-CE 3.41Å; E294-K592 IonicContact OE1-NZ 3.67Å; E294-K592 PolarHBondContact OE1-NZ 3.22Å; E294-K592 IonicContact OE2-NZ 3.98Å; E294-K592 PolarHBondContact OE2-NZ 3.5Å; E294-L599 HydrophobicContact CG-CD1 4.46Å
295	A	95.5	Very high	95.1	Very high	46 Å²	46	46.3 Å²	46.3	38%	0.38	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-31.1	179.3	0	0	0	0	0	111.9	T292 Y297 N298	T292-A295 PolarHBondContact O-N 3.25Å; T292-A295 VanDerWaalsContact OG1-CB 3.31Å; T292-A295 WeakPolarHBondContact OG1-CB 3.48Å; T292-A295 PolarHBondContact OG1-N 3.21Å; A295-Y297 VanDerWaalsContact C-N 3.34Å; A295-N298 PolarHBondContact O-ND2 3.13Å
296	M	96.5	Very high	95.1	Very high	9 Å²	9	47 Å²	47	4%	0.044	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-2.6	178.8	-58.8	-66.4	93.3	0	0	113.2	R291 T292 E294 N298 V340 R342 V343	R291-M296 HydrophobicContact CB-CG 4.15Å; R291-M296 HydrophobicContact CB-SD 3.92Å; R291-M296 HydrophobicContact CG-CE 4.3Å; R291-M296 HydrophobicContact CG-SD 3.82Å; T292-M296 WeakPolarHBondContact O-CB 3.43Å; T292-M296 WeakPolarHBondContact O-CG 3.18Å; T292-M296 PolarHBondContact O-N 2.95Å; E294-M296 PolarHBondContact O-N 3.23Å; M296-N298 PolarHBondContact O-N 3.25Å; M296-V340 WeakPolarHBondContact O-CG1 3.25Å; M296-R342 HydrophobicContact CB-CB 4.18Å; M296-R342 HydrophobicContact CB-CG 4.34Å; M296-R342 WeakPolarHBondContact CE-O 3.47Å; M296-R342 WeakPolarHBondContact O-CA 3.3Å; M296-R342 HydrophobicContact SD-CB 4.14Å; M296-V343 HydrophobicContact CE-CG1 4.13Å; M296-V343 HydrophobicContact SD-CG1 3.8Å
297	Y	97.8	Very high	95.2	Very high	34 Å²	34	48.9 Å²	48.9	13%	0.133	27%	0.271	C	S	.	.			trans	-99.2	84.8	178	-171.3	-91.6	0	0	0	111	D211 D212 K213 S293 E294 A295 K299 V340 L599	D211-Y297 WeakPolarHBondContact OD1-CE2 3.39Å; D211-Y297 PolarHBondContact OD1-OH 2.95Å; D212-Y297 HydrophobicContact CB-CD2 3.8Å; D212-Y297 HydrophobicContact CB-CE2 4.16Å; K213-Y297 HydrophobicContact CB-CE1 4.36Å; K213-Y297 HydrophobicContact CB-CE2 4.19Å; K213-Y297 HydrophobicContact CD-CD1 3.92Å; K213-Y297 HydrophobicContact CD-CE1 3.39Å; K213-Y297 HydrophobicContact CG-CD1 4.13Å; K213-Y297 HydrophobicContact CG-CD2 4.36Å; K213-Y297 HydrophobicContact CG-CE1 3.68Å; K213-Y297 HydrophobicContact CG-CE2 3.91Å; K213-Y297 HydrophobicContact CG-CG 4.45Å; S293-Y297 WeakPolarHBondContact O-CB 3.11Å; S293-Y297 PolarHBondContact O-N 3.22Å; E294-Y297 PolarHBondContact O-N 2.79Å; E294-Y297 VanDerWaalsContact O-N 3.15Å; A295-Y297 VanDerWaalsContact C-N 3.34Å; Y297-K299 HydrophobicContact CE1-CB 3.95Å; Y297-K299 WeakPolarHBondContact OH-CD 3.45Å; Y297-V340 HydrophobicContact CD2-CG1 4.26Å; Y297-V340 HydrophobicContact CD2-CG2 4.2Å; Y297-V340 HydrophobicContact CE2-CG2 3.9Å; Y297-L599 HydrophobicContact CG-CD2 4.49Å
298	N	98	Very high	95.4	Very high	53 Å²	53	50.9 Å²	50.9	28%	0.283	28%	0.278	S	S	.	.			trans	-115.9	84	172.7	-46.5	-91.8	0	0	0	108.6	A295 M296 M300 V341	A295-N298 PolarHBondContact O-ND2 3.13Å; M296-N298 PolarHBondContact O-N 3.25Å; N298-M300 HydrophobicContact CB-CE 4.11Å; N298-V341 VanDerWaalsContact CB-O 3.26Å; N298-V341 WeakPolarHBondContact CB-O 3.36Å; N298-V341 PolarHBondContact ND2-O 3.37Å; N298-V341 PolarHBondContact O-N 2.05Å
299	K	98.3	Very high	95.9	Very high	81 Å²	81	46.6 Å²	46.6	35%	0.352	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	127.4	177.5	-173.7	168.1	-179	166.4	0	109.7	D211 I219 Y297 V339 V340	D211-K299 IonicContact OD2-NZ 3.49Å; D211-K299 PolarHBondContact OD2-NZ 2.87Å; I219-K299 HydrophobicContact CD1-CD 4.07Å; I219-K299 HydrophobicContact CD1-CG 4.34Å; Y297-K299 HydrophobicContact CE1-CB 3.95Å; Y297-K299 WeakPolarHBondContact OH-CD 3.45Å; K299-V339 WeakPolarHBondContact CA-O 3.48Å; K299-V340 HydrophobicContact CB-CG2 4.3Å
300	M	98.3	Very high	96.4	Very high	17 Å²	17	48.7 Å²	48.7	8%	0.084	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	163.6	177.8	62.9	-171.4	70.5	0	0	108.7	N298 E304 L305 M308 V339 V341	N298-M300 HydrophobicContact CB-CE 4.11Å; M300-E304 VanDerWaalsContact CA-OE2 3.25Å; M300-E304 WeakPolarHBondContact CA-OE2 3.27Å; M300-E304 HydrophobicContact CB-CB 4.07Å; M300-E304 VanDerWaalsContact CB-OE2 3.23Å; M300-E304 WeakPolarHBondContact CB-OE2 3.27Å; M300-L305 HydrophobicContact CG-CB 4.28Å; M300-L305 HydrophobicContact SD-CB 3.86Å; M300-L305 HydrophobicContact SD-CD1 4.21Å; M300-M308 HydrophobicContact CE-CE 3.79Å; M300-M308 HydrophobicContact SD-CE 4.04Å; M300-V339 HydrophobicContact CG-CG2 4.22Å; M300-V339 PolarHBondContact N-O 3.4Å; M300-V339 WeakPolarHBondContact O-CG2 3.01Å; M300-V339 PolarHBondContact O-N 3.01Å; M300-V341 HydrophobicContact CE-CB 4.11Å; M300-V341 HydrophobicContact CE-CG2 4Å; M300-V341 HydrophobicContact CG-CG2 3.93Å; M300-V341 HydrophobicContact SD-CB 4.46Å; M300-V341 HydrophobicContact SD-CG2 3.73Å
301	N	98.5	Very high	96.7	Very high	34 Å²	34	50.1 Å²	50.1	18%	0.182	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	163.9	169.7	62.8	56	0	0	0	111.9	S303 E304 L305 E337	N301-S303 PolarHBondContact O-N 3.05Å; N301-S303 WeakPolarHBondContact OD1-CA 3.3Å; N301-S303 VanDerWaalsContact OD1-CB 3.23Å; N301-S303 WeakPolarHBondContact OD1-CB 3.24Å; N301-S303 PolarHBondContact OD1-N 2.72Å; N301-S303 VanDerWaalsContact OD1-N 3.15Å; N301-E304 PolarHBondContact N-OE2 3.39Å; N301-E304 PolarHBondContact ND2-OE1 3.14Å; N301-E304 PolarHBondContact ND2-OE2 2.95Å; N301-E304 PolarHBondContact O-N 3.43Å; N301-E304 WeakPolarHBondContact OD1-CG 3.17Å; N301-E304 PolarHBondContact OD1-N 2.83Å; N301-L305 PolarHBondContact O-N 3.06Å; N301-E337 CarbonylContact C-O 3.58Å; N301-E337 WeakPolarHBondContact CA-O 3.19Å
302	I	98.6	Very high	97	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-32.7	179.8	-67.5	177.4	0	0	0	111.8	L305 S306 W314 L315 I318 I333 P335 E337 V339	I302-L305 PolarHBondContact O-N 3.34Å; I302-S306 WeakPolarHBondContact O-CB 3.25Å; I302-S306 PolarHBondContact O-N 3.27Å; I302-S306 PolarHBondContact O-OG 3.47Å; I302-W314 HydrophobicContact CG2-CB 4.21Å; I302-L315 HydrophobicContact CD1-CD1 3.9Å; I302-L315 HydrophobicContact CG2-CB 3.8Å; I302-L315 HydrophobicContact CG2-CD1 4.3Å; I302-I318 HydrophobicContact CD1-CD1 3.62Å; I302-I318 HydrophobicContact CG1-CD1 4.13Å; I302-I333 HydrophobicContact CD1-CG2 3.99Å; I302-P335 PolarHBondContact N-O 3.03Å; I302-E337 HydrophobicContact CD1-CB 3.63Å; I302-E337 HydrophobicContact CD1-CG 4.07Å; I302-E337 HydrophobicContact CG1-CB 4.04Å; I302-E337 PolarHBondContact N-O 2.62Å; I302-V339 HydrophobicContact CD1-CG1 4.43Å; I302-V339 HydrophobicContact CG1-CG1 3.89Å
303	S	98.5	Very high	97.3	Very high	66 Å²	66	50 Å²	50	46%	0.462	28%	0.28	S	S	.	.	H	α-helix	trans	-62.8	-47.6	176.4	-167.5	0	0	0	0	111.6	N301 L305 S306 A307 P335	N301-S303 PolarHBondContact O-N 3.05Å; N301-S303 WeakPolarHBondContact OD1-CA 3.3Å; N301-S303 VanDerWaalsContact OD1-CB 3.23Å; N301-S303 WeakPolarHBondContact OD1-CB 3.24Å; N301-S303 PolarHBondContact OD1-N 2.72Å; N301-S303 VanDerWaalsContact OD1-N 3.15Å; S303-L305 PolarHBondContact O-N 2.92Å; S303-S306 PolarHBondContact O-N 3.14Å; S303-A307 PolarHBondContact O-N 3.06Å; S303-P335 PolarHBondContact N-O 3.11Å
304	E	98.6	Very high	97.5	Very high	99 Å²	99	49.4 Å²	49.4	46%	0.463	28%	0.276	S	S	.	.	H	α-helix	trans	-61.7	-43	175.4	-73	160.3	-177	0	0	111.8	M300 N301 S306 A307 M308	M300-E304 VanDerWaalsContact CA-OE2 3.25Å; M300-E304 WeakPolarHBondContact CA-OE2 3.27Å; M300-E304 HydrophobicContact CB-CB 4.07Å; M300-E304 VanDerWaalsContact CB-OE2 3.23Å; M300-E304 WeakPolarHBondContact CB-OE2 3.27Å; N301-E304 PolarHBondContact N-OE2 3.39Å; N301-E304 PolarHBondContact ND2-OE1 3.14Å; N301-E304 PolarHBondContact ND2-OE2 2.95Å; N301-E304 PolarHBondContact O-N 3.43Å; N301-E304 WeakPolarHBondContact OD1-CG 3.17Å; N301-E304 PolarHBondContact OD1-N 2.83Å; E304-S306 VanDerWaalsContact C-N 3.31Å; E304-S306 PolarHBondContact O-N 3.49Å; E304-A307 PolarHBondContact O-N 3.33Å; E304-M308 WeakPolarHBondContact O-CB 3.47Å; E304-M308 PolarHBondContact O-N 3.35Å
305	L	98.3	Very high	97.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.7	-42.4	174.2	175.4	55.7	0	0	0	111.6	L222 M300 N301 I302 S303 M308 I309 W314 V339 V341	L222-L305 HydrophobicContact CD1-CD2 3.52Å; M300-L305 HydrophobicContact CG-CB 4.28Å; M300-L305 HydrophobicContact SD-CB 3.86Å; M300-L305 HydrophobicContact SD-CD1 4.21Å; N301-L305 PolarHBondContact O-N 3.06Å; I302-L305 PolarHBondContact O-N 3.34Å; S303-L305 PolarHBondContact O-N 2.92Å; L305-M308 PolarHBondContact O-N 3.15Å; L305-I309 HydrophobicContact CD1-CD1 4.04Å; L305-I309 PolarHBondContact O-N 2.78Å; L305-W314 HydrophobicContact CD1-CD2 4.32Å; L305-W314 HydrophobicContact CD1-CZ2 4.12Å; L305-W314 HydrophobicContact CD2-CB 4.16Å; L305-W314 HydrophobicContact CD2-CD2 3.57Å; L305-W314 HydrophobicContact CD2-CE3 3.8Å; L305-W314 HydrophobicContact CD2-CG 3.75Å; L305-W314 HydrophobicContact CD2-CZ3 4.41Å; L305-W314 HydrophobicContact CG-CB 4.46Å; L305-W314 HydrophobicContact CG-CD2 3.8Å; L305-W314 HydrophobicContact CG-CE3 4.48Å; L305-W314 HydrophobicContact CG-CG 3.77Å; L305-W314 HydrophobicContact CG-CZ2 4.5Å; L305-V339 HydrophobicContact CD2-CG2 4.18Å; L305-V341 HydrophobicContact CD1-CG2 4.07Å; L305-V341 HydrophobicContact CD2-CG2 4.08Å
306	S	98.3	Very high	97.9	Very high	36 Å²	36	45.3 Å²	45.3	25%	0.252	25%	0.254	S	S	.	.	H	α-helix	trans	-68.7	-35	178.5	-55.8	0	0	0	0	111.9	I302 S303 E304 I309 P310	I302-S306 WeakPolarHBondContact O-CB 3.25Å; I302-S306 PolarHBondContact O-N 3.27Å; I302-S306 PolarHBondContact O-OG 3.47Å; S303-S306 PolarHBondContact O-N 3.14Å; E304-S306 VanDerWaalsContact C-N 3.31Å; E304-S306 PolarHBondContact O-N 3.49Å; S306-I309 CarbonylContact O-C 3.54Å; S306-I309 VanDerWaalsContact O-C 3.31Å; S306-P310 WeakPolarHBondContact O-CA 3.4Å; S306-P310 VanDerWaalsContact O-N 3.15Å
307	A	98	Very high	98	Very high	81 Å²	81	45 Å²	45	67%	0.669	25%	0.252	S	S	*	.	H	α-helix	trans	-67.7	-37.4	171.9	0	0	0	0	0	111.8	S303 E304	S303-A307 PolarHBondContact O-N 3.06Å; E304-A307 PolarHBondContact O-N 3.33Å
308	M	97	Very high	98	Very high	72 Å²	72	43.3 Å²	43.3	36%	0.355	25%	0.246	S	C	.	.	H	α-helix	trans	-71	-36.3	178.8	-172.5	-176.6	-59.1	0	0	112.7	M300 E304 L305 P344 K348	M300-M308 HydrophobicContact CE-CE 3.79Å; M300-M308 HydrophobicContact SD-CE 4.04Å; E304-M308 WeakPolarHBondContact O-CB 3.47Å; E304-M308 PolarHBondContact O-N 3.35Å; L305-M308 PolarHBondContact O-N 3.15Å; M308-P344 HydrophobicContact SD-CB 4.1Å; M308-K348 VanDerWaalsContact SD-CE 3.57Å
309	I	96.7	Very high	98	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.251	C	S	.	.			trans	-136	77	-176.6	-54.4	169.4	0	0	0	108.4	L305 S306 Q311 W314 F347 K348 F351	L305-I309 HydrophobicContact CD1-CD1 4.04Å; L305-I309 PolarHBondContact O-N 2.78Å; S306-I309 CarbonylContact O-C 3.54Å; S306-I309 VanDerWaalsContact O-C 3.31Å; I309-Q311 PolarHBondContact O-N 2.99Å; I309-W314 HydrophobicContact CB-CZ2 4.25Å; I309-W314 HydrophobicContact CD1-CZ2 3.94Å; I309-W314 HydrophobicContact CG2-CZ2 4.07Å; I309-W314 PolarHBondContact O-NE1 3.18Å; I309-F347 HydrophobicContact CD1-CB 3.45Å; I309-F347 VanDerWaalsContact CD1-CB 3.45Å; I309-K348 HydrophobicContact CD1-CG 4.05Å; I309-K348 HydrophobicContact CG1-CG 3.75Å; I309-F351 HydrophobicContact CG2-CB 4.35Å; I309-F351 HydrophobicContact CG2-CD2 3.6Å; I309-F351 HydrophobicContact CG2-CE2 4.29Å; I309-F351 HydrophobicContact CG2-CG 4.23Å
310	P	96.9	Very high	97.9	Very high	96 Å²	96	46.4 Å²	46.4	62%	0.623	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-10.4	-174.5	29.6	-36.8	0	0	0	113.9	S306 F312	S306-P310 WeakPolarHBondContact O-CA 3.4Å; S306-P310 VanDerWaalsContact O-N 3.15Å; P310-F312 PolarHBondContact O-N 3.46Å
311	Q	96.1	Very high	97.9	Very high	122 Å²	122	45.7 Å²	45.7	57%	0.57	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-10.9	-178.7	-58.1	86.1	-10.8	0	0	113.3	I309 F351	I309-Q311 PolarHBondContact O-N 2.99Å; Q311-F351 HydrophobicContact CB-CB 4.04Å; Q311-F351 HydrophobicContact CB-CG 4.49Å
312	F	97.9	Very high	97.9	Very high	14 Å²	14	44.4 Å²	44.4	6%	0.061	25%	0.246	C	C	.	.	S	Bend	trans	-136	132.3	-176.2	-168.9	-110.3	0	0	0	111.8	L188 L191 I204 P310 W314 Y317 F351	L188-F312 HydrophobicContact CB-CE2 3.96Å; L188-F312 HydrophobicContact CB-CZ 4.39Å; L188-F312 HydrophobicContact CD1-CE2 4.41Å; L188-F312 HydrophobicContact CD1-CZ 4.48Å; L188-F312 HydrophobicContact CG-CE2 4.26Å; L188-F312 HydrophobicContact CG-CZ 4.25Å; L191-F312 HydrophobicContact CD1-CE2 4.12Å; L191-F312 HydrophobicContact CD1-CZ 4.08Å; I204-F312 HydrophobicContact CD1-CD1 4.43Å; I204-F312 HydrophobicContact CD1-CE1 3.82Å; I204-F312 HydrophobicContact CD1-CZ 4.02Å; P310-F312 PolarHBondContact O-N 3.46Å; F312-W314 AromaticContact CD1-CD2 3.7Å; F312-W314 HydrophobicContact CD1-CD2 3.7Å; F312-W314 AromaticContact CD1-CE2 3.91Å; F312-W314 AromaticContact CD1-CE3 3.83Å; F312-W314 HydrophobicContact CD1-CE3 3.83Å; F312-W314 HydrophobicContact CD1-CG 4.15Å; F312-W314 HydrophobicContact CD1-CH2 4.4Å; F312-W314 HydrophobicContact CD1-CZ2 4.27Å; F312-W314 HydrophobicContact CD1-CZ3 4.18Å; F312-W314 HydrophobicContact CE1-CD2 4.38Å; F312-W314 HydrophobicContact CE1-CE3 4.08Å; F312-W314 HydrophobicContact CE1-CZ3 4.35Å; F312-W314 PolarHBondContact O-N 3.42Å; F312-Y317 AromaticContact CE1-CD1 3.97Å; F312-Y317 HydrophobicContact CE1-CD1 3.97Å; F312-Y317 HydrophobicContact CE1-CD2 4.32Å; F312-Y317 AromaticContact CE1-CG 3.68Å; F312-Y317 HydrophobicContact CE1-CG 3.68Å; F312-Y317 HydrophobicContact CZ-CD1 4.41Å; F312-Y317 AromaticContact CZ-CD2 3.96Å; F312-Y317 HydrophobicContact CZ-CD2 3.96Å; F312-Y317 AromaticContact CZ-CG 3.78Å; F312-Y317 HydrophobicContact CZ-CG 3.78Å; F312-F351 HydrophobicContact CB-CD1 4.02Å; F312-F351 HydrophobicContact CB-CD2 4.25Å; F312-F351 HydrophobicContact CB-CE1 3.51Å; F312-F351 HydrophobicContact CB-CE2 3.77Å; F312-F351 HydrophobicContact CB-CG 4.37Å; F312-F351 HydrophobicContact CB-CZ 3.36Å; F312-F351 HydrophobicContact CD1-CE1 4.36Å; F312-F351 HydrophobicContact CD1-CE2 4.24Å; F312-F351 AromaticContact CD1-CZ 3.63Å; F312-F351 HydrophobicContact CD1-CZ 3.63Å; F312-F351 HydrophobicContact CD2-CD1 4.4Å; F312-F351 AromaticContact CD2-CE1 3.32Å; F312-F351 HydrophobicContact CD2-CE1 3.32Å; F312-F351 AromaticContact CD2-CZ 3.43Å; F312-F351 HydrophobicContact CD2-CZ 3.43Å; F312-F351 VanDerWaalsContact CD2-CZ 3.43Å; F312-F351 HydrophobicContact CE1-CZ 4.22Å; F312-F351 HydrophobicContact CE2-CE1 4.08Å; F312-F351 HydrophobicContact CE2-CZ 4.05Å; F312-F351 HydrophobicContact CG-CD1 4.45Å; F312-F351 AromaticContact CG-CE1 3.49Å; F312-F351 HydrophobicContact CG-CE1 3.49Å; F312-F351 VanDerWaalsContact CG-CE1 3.49Å; F312-F351 AromaticContact CG-CE2 3.98Å; F312-F351 HydrophobicContact CG-CE2 3.98Å; F312-F351 AromaticContact CG-CZ 3.18Å; F312-F351 HydrophobicContact CG-CZ 3.18Å; F312-F351 HydrophobicContact CZ-CZ 4.41Å
313	D	98.4	Very high	97.7	Very high	89 Å²	89	45.9 Å²	45.9	48%	0.476	25%	0.254	S	S	.	.			trans	-79	86.9	175.6	170.4	22.1	0	0	0	110.4	L188 G316 Y317	L188-D313 HydrophobicContact CD1-CB 3.59Å; L188-D313 VanDerWaalsContact CD1-O 3.26Å; L188-D313 WeakPolarHBondContact CD1-O 3.49Å; D313-G316 PolarHBondContact OD1-N 2.9Å; D313-G316 WeakPolarHBondContact OD2-CA 3.27Å; D313-Y317 WeakPolarHBondContact O-CB 3.4Å; D313-Y317 PolarHBondContact O-N 3.19Å
314	W	98.6	Very high	97.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-41.5	-178.6	-65.2	98.3	0	0	0	113	I204 L222 I302 L305 I309 F312 Y317 I318 F347 F351	I204-W314 HydrophobicContact CD1-CH2 4.25Å; I204-W314 HydrophobicContact CD1-CZ3 4.01Å; I204-W314 HydrophobicContact CG2-CZ3 4.39Å; L222-W314 HydrophobicContact CD1-CE3 3.86Å; L222-W314 HydrophobicContact CD1-CZ3 3.8Å; L222-W314 HydrophobicContact CD2-CZ3 4.23Å; I302-W314 HydrophobicContact CG2-CB 4.21Å; L305-W314 HydrophobicContact CD1-CD2 4.32Å; L305-W314 HydrophobicContact CD1-CZ2 4.12Å; L305-W314 HydrophobicContact CD2-CB 4.16Å; L305-W314 HydrophobicContact CD2-CD2 3.57Å; L305-W314 HydrophobicContact CD2-CE3 3.8Å; L305-W314 HydrophobicContact CD2-CG 3.75Å; L305-W314 HydrophobicContact CD2-CZ3 4.41Å; L305-W314 HydrophobicContact CG-CB 4.46Å; L305-W314 HydrophobicContact CG-CD2 3.8Å; L305-W314 HydrophobicContact CG-CE3 4.48Å; L305-W314 HydrophobicContact CG-CG 3.77Å; L305-W314 HydrophobicContact CG-CZ2 4.5Å; I309-W314 HydrophobicContact CB-CZ2 4.25Å; I309-W314 HydrophobicContact CD1-CZ2 3.94Å; I309-W314 HydrophobicContact CG2-CZ2 4.07Å; I309-W314 PolarHBondContact O-NE1 3.18Å; F312-W314 AromaticContact CD1-CD2 3.7Å; F312-W314 HydrophobicContact CD1-CD2 3.7Å; F312-W314 AromaticContact CD1-CE2 3.91Å; F312-W314 AromaticContact CD1-CE3 3.83Å; F312-W314 HydrophobicContact CD1-CE3 3.83Å; F312-W314 HydrophobicContact CD1-CG 4.15Å; F312-W314 HydrophobicContact CD1-CH2 4.4Å; F312-W314 HydrophobicContact CD1-CZ2 4.27Å; F312-W314 HydrophobicContact CD1-CZ3 4.18Å; F312-W314 HydrophobicContact CE1-CD2 4.38Å; F312-W314 HydrophobicContact CE1-CE3 4.08Å; F312-W314 HydrophobicContact CE1-CZ3 4.35Å; F312-W314 PolarHBondContact O-N 3.42Å; W314-Y317 PolarHBondContact O-N 2.87Å; W314-I318 WeakPolarHBondContact O-CG1 3.4Å; W314-I318 PolarHBondContact O-N 2.85Å; W314-F347 HydrophobicContact CH2-CB 4.18Å; W314-F347 HydrophobicContact CH2-CD1 4Å; W314-F347 HydrophobicContact CH2-CD2 4.18Å; W314-F347 HydrophobicContact CH2-CE1 4.42Å; W314-F347 AromaticContact CH2-CG 3.88Å; W314-F347 HydrophobicContact CH2-CG 3.88Å; W314-F347 HydrophobicContact CZ2-CB 4.3Å; W314-F347 HydrophobicContact CZ2-CG 4.47Å; W314-F351 AromaticContact CH2-CE2 3.77Å; W314-F351 HydrophobicContact CH2-CE2 3.77Å; W314-F351 HydrophobicContact CH2-CZ 4.48Å; W314-F351 HydrophobicContact CZ2-CD2 4.27Å; W314-F351 AromaticContact CZ2-CE2 3.57Å; W314-F351 HydrophobicContact CZ2-CE2 3.57Å; W314-F351 HydrophobicContact CZ2-CZ 4.44Å
315	L	98.4	Very high	97.3	Very high	33 Å²	33	50 Å²	50	17%	0.173	26%	0.262	C	S	.	.	H	α-helix	trans	-64.3	-48.3	179	-176.7	60.1	0	0	0	110.5	I302 Y317 I318 K319 I333 P335	I302-L315 HydrophobicContact CD1-CD1 3.9Å; I302-L315 HydrophobicContact CG2-CB 3.8Å; I302-L315 HydrophobicContact CG2-CD1 4.3Å; L315-Y317 VanDerWaalsContact C-N 3.33Å; L315-Y317 PolarHBondContact O-N 3.15Å; L315-I318 PolarHBondContact O-N 2.83Å; L315-K319 HydrophobicContact CD1-CD 4.35Å; L315-K319 HydrophobicContact CD1-CG 4.39Å; L315-K319 HydrophobicContact CG-CD 4.26Å; L315-K319 WeakPolarHBondContact O-CB 3.38Å; L315-K319 WeakPolarHBondContact O-CG 3.41Å; L315-K319 PolarHBondContact O-N 3.25Å; L315-I333 HydrophobicContact CD1-CG2 3.94Å; L315-P335 HydrophobicContact CD2-CG 3.86Å
316	G	98.1	Very high	97	Very high	14 Å²	14	54.7 Å²	54.7	14%	0.144	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-37.7	177	0	0	0	0	0	112.5	D313 K320	D313-G316 PolarHBondContact OD1-N 2.9Å; D313-G316 WeakPolarHBondContact OD2-CA 3.27Å; G316-K320 WeakPolarHBondContact O-CB 3.12Å; G316-K320 VanDerWaalsContact O-CG 3.26Å; G316-K320 WeakPolarHBondContact O-CG 3.07Å; G316-K320 PolarHBondContact O-N 3.48Å
317	Y	98.5	Very high	96.9	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-60.6	-53.9	173.3	171.9	-113	0	0	0	111.8	L191 A192 I204 L206 F312 D313 W314 L315 K319 K320 V321	L191-Y317 HydrophobicContact CB-CD2 4.27Å; L191-Y317 HydrophobicContact CB-CE2 3.77Å; A192-Y317 HydrophobicContact CB-CD2 4Å; A192-Y317 HydrophobicContact CB-CE2 4.25Å; I204-Y317 HydrophobicContact CG2-CE1 4.1Å; L206-Y317 HydrophobicContact CB-CE1 4.15Å; L206-Y317 HydrophobicContact CD2-CD1 4.49Å; L206-Y317 HydrophobicContact CD2-CE1 3.91Å; F312-Y317 AromaticContact CE1-CD1 3.97Å; F312-Y317 HydrophobicContact CE1-CD1 3.97Å; F312-Y317 HydrophobicContact CE1-CD2 4.32Å; F312-Y317 AromaticContact CE1-CG 3.68Å; F312-Y317 HydrophobicContact CE1-CG 3.68Å; F312-Y317 HydrophobicContact CZ-CD1 4.41Å; F312-Y317 AromaticContact CZ-CD2 3.96Å; F312-Y317 HydrophobicContact CZ-CD2 3.96Å; F312-Y317 AromaticContact CZ-CG 3.78Å; F312-Y317 HydrophobicContact CZ-CG 3.78Å; D313-Y317 WeakPolarHBondContact O-CB 3.4Å; D313-Y317 PolarHBondContact O-N 3.19Å; W314-Y317 PolarHBondContact O-N 2.87Å; L315-Y317 VanDerWaalsContact C-N 3.33Å; L315-Y317 PolarHBondContact O-N 3.15Å; Y317-K319 PolarHBondContact O-N 3Å; Y317-K320 PolarHBondContact O-N 3.2Å; Y317-V321 HydrophobicContact CD2-CG2 4.01Å; Y317-V321 HydrophobicContact CE1-CG2 4.36Å; Y317-V321 HydrophobicContact CE2-CG2 3.58Å; Y317-V321 WeakPolarHBondContact O-CG2 3.48Å; Y317-V321 PolarHBondContact O-N 3.24Å
318	I	98.4	Very high	96.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-46.6	-178.9	-70.1	165.1	0	0	0	110.7	L206 L220 I302 W314 L315 K320 V321 I322 I333 V339	L206-I318 HydrophobicContact CD1-CG1 4.49Å; L206-I318 HydrophobicContact CD2-CG1 3.98Å; L220-I318 HydrophobicContact CD1-CG2 4.08Å; I302-I318 HydrophobicContact CD1-CD1 3.62Å; I302-I318 HydrophobicContact CG1-CD1 4.13Å; W314-I318 WeakPolarHBondContact O-CG1 3.4Å; W314-I318 PolarHBondContact O-N 2.85Å; L315-I318 PolarHBondContact O-N 2.83Å; I318-K320 VanDerWaalsContact C-N 3.3Å; I318-K320 PolarHBondContact O-N 2.86Å; I318-V321 PolarHBondContact O-N 3.15Å; I318-I322 HydrophobicContact CG2-CD1 3.88Å; I318-I322 WeakPolarHBondContact O-CG1 3.41Å; I318-I322 PolarHBondContact O-N 3Å; I318-I333 HydrophobicContact CG2-CD1 4.2Å; I318-I333 HydrophobicContact CG2-CG2 4.26Å; I318-V339 HydrophobicContact CD1-CG1 4.36Å
319	K	97.5	Very high	96.6	Very high	92 Å²	92	55.9 Å²	55.9	40%	0.4	28%	0.279	S	S	.	.	H	α-helix	trans	-59.4	-38	177.3	-77.4	-174.4	173.4	-174.6	0	113.3	L315 Y317 I333	L315-K319 HydrophobicContact CD1-CD 4.35Å; L315-K319 HydrophobicContact CD1-CG 4.39Å; L315-K319 HydrophobicContact CG-CD 4.26Å; L315-K319 WeakPolarHBondContact O-CB 3.38Å; L315-K319 WeakPolarHBondContact O-CG 3.41Å; L315-K319 PolarHBondContact O-N 3.25Å; Y317-K319 PolarHBondContact O-N 3Å; K319-I333 WeakPolarHBondContact CE-O 3.36Å; K319-I333 PolarHBondContact NZ-O 3.06Å
320	K	97.3	Very high	96.5	Very high	107 Å²	107	56.1 Å²	56.1	47%	0.465	28%	0.28	S	S	.	.	H	α-helix	trans	-77.7	-25.1	179.4	-76.1	-175.5	-178.6	-170.9	0	113.7	L188 A192 G316 Y317 I318	L188-K320 HydrophobicContact CD2-CD 3.6Å; A192-K320 HydrophobicContact CB-CB 3.64Å; G316-K320 WeakPolarHBondContact O-CB 3.12Å; G316-K320 VanDerWaalsContact O-CG 3.26Å; G316-K320 WeakPolarHBondContact O-CG 3.07Å; G316-K320 PolarHBondContact O-N 3.48Å; Y317-K320 PolarHBondContact O-N 3.2Å; I318-K320 VanDerWaalsContact C-N 3.3Å; I318-K320 PolarHBondContact O-N 2.86Å
321	V	97.8	Very high	96.4	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.012	28%	0.279	C	S	.	.	H	α-helix	trans	-71.6	-39.7	175.9	169.7	0	0	0	0	110.9	A192 R195 G196 L206 Y317 I318 Q515 F518	A192-V321 HydrophobicContact CB-CG2 3.99Å; R195-V321 HydrophobicContact CB-CG1 4.35Å; R195-V321 HydrophobicContact CB-CG2 4.22Å; R195-V321 HydrophobicContact CG-CG1 3.7Å; R195-V321 HydrophobicContact CG-CG2 4.26Å; G196-V321 WeakPolarHBondContact CA-O 3.22Å; L206-V321 HydrophobicContact CD2-CB 4.16Å; L206-V321 HydrophobicContact CD2-CG1 4.05Å; L206-V321 HydrophobicContact CD2-CG2 4.23Å; Y317-V321 HydrophobicContact CD2-CG2 4.01Å; Y317-V321 HydrophobicContact CE1-CG2 4.36Å; Y317-V321 HydrophobicContact CE2-CG2 3.58Å; Y317-V321 WeakPolarHBondContact O-CG2 3.48Å; Y317-V321 PolarHBondContact O-N 3.24Å; I318-V321 PolarHBondContact O-N 3.15Å; V321-Q515 PolarHBondContact O-NE2 2.77Å; V321-F518 HydrophobicContact CG1-CE2 3.67Å; V321-F518 HydrophobicContact CG1-CZ 3.52Å
322	I	97.1	Very high	96.1	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.036	29%	0.286	C	S	.	.	S	Bend	trans	-80.1	122.9	-175.6	-62.8	167.7	0	0	0	109.9	I318 T324 Y327 L330 I333 F518	I318-I322 HydrophobicContact CG2-CD1 3.88Å; I318-I322 WeakPolarHBondContact O-CG1 3.41Å; I318-I322 PolarHBondContact O-N 3Å; I322-T324 HydrophobicContact CG2-CG2 4.5Å; I322-T324 PolarHBondContact O-N 3.18Å; I322-T324 VanDerWaalsContact O-N 3.13Å; I322-Y327 HydrophobicContact CG2-CD2 4.43Å; I322-L330 HydrophobicContact CG2-CB 4.13Å; I322-L330 HydrophobicContact CG2-CD1 4.13Å; I322-I333 HydrophobicContact CD1-CD1 3.28Å; I322-F518 HydrophobicContact CD1-CD1 3.99Å; I322-F518 HydrophobicContact CD1-CE1 4.01Å; I322-F518 HydrophobicContact CG1-CD1 3.68Å; I322-F518 HydrophobicContact CG1-CD2 4.29Å; I322-F518 HydrophobicContact CG1-CE1 3.64Å; I322-F518 HydrophobicContact CG1-CE2 4.26Å; I322-F518 HydrophobicContact CG1-CG 4.03Å; I322-F518 HydrophobicContact CG1-CZ 3.95Å
323	D	95.4	Very high	96	Very high	31 Å²	31	58.2 Å²	58.2	17%	0.166	28%	0.284	C	S	.	.			trans	-79.5	95.1	171.8	-165.5	-25.3	0	0	0	109.7	R325 L326 Y327 Q515	D323-R325 PolarHBondContact O-N 3.47Å; D323-R325 VanDerWaalsContact OD1-CB 3.27Å; D323-R325 WeakPolarHBondContact OD1-CB 3.14Å; D323-R325 IonicContact OD1-CZ 3.05Å; D323-R325 PolarHBondContact OD1-N 3.24Å; D323-R325 IonicContact OD1-NE 2.72Å; D323-R325 PolarHBondContact OD1-NE 2.73Å; D323-R325 IonicContact OD1-NH2 2.62Å; D323-R325 IonicContact OD2-CZ 2.9Å; D323-R325 IonicContact OD2-NE 2.62Å; D323-R325 IonicContact OD2-NH2 3.6Å; D323-R325 PolarHBondContact OD2-NH2 3.42Å; D323-L326 HydrophobicContact CB-CD1 4.22Å; D323-L326 HydrophobicContact CB-CG 4.28Å; D323-L326 PolarHBondContact O-N 3.21Å; D323-Y327 PolarHBondContact O-N 3.19Å; D323-Q515 HydrophobicContact CB-CG 4.29Å
324	T	94.8	Very high	95.9	Very high	57 Å²	57	55.7 Å²	55.7	35%	0.35	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-8.7	-179.1	61.4	0	0	0	0	113.6	I322 Y327 P328 K331	I322-T324 HydrophobicContact CG2-CG2 4.5Å; I322-T324 PolarHBondContact O-N 3.18Å; I322-T324 VanDerWaalsContact O-N 3.13Å; T324-Y327 CarbonylContact O-C 3.58Å; T324-P328 WeakPolarHBondContact O-CA 3.4Å; T324-P328 VanDerWaalsContact O-N 3.16Å; T324-K331 HydrophobicContact CG2-CB 4.28Å
325	R	93.8	Very high	95.9	Very high	194 Å²	194	58.8 Å²	58.8	73%	0.732	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-33.1	170.2	-58.8	171.5	-66	-176.9	0.6	111.2	D323	D323-R325 PolarHBondContact O-N 3.47Å; D323-R325 VanDerWaalsContact OD1-CB 3.27Å; D323-R325 WeakPolarHBondContact OD1-CB 3.14Å; D323-R325 IonicContact OD1-CZ 3.05Å; D323-R325 PolarHBondContact OD1-N 3.24Å; D323-R325 IonicContact OD1-NE 2.72Å; D323-R325 PolarHBondContact OD1-NE 2.73Å; D323-R325 IonicContact OD1-NH2 2.62Å; D323-R325 IonicContact OD2-CZ 2.9Å; D323-R325 IonicContact OD2-NE 2.62Å; D323-R325 IonicContact OD2-NH2 3.6Å; D323-R325 PolarHBondContact OD2-NH2 3.42Å
326	L	92.8	Very high	95.9	Very high	99 Å²	99	61.3 Å²	61.3	52%	0.518	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-35	173.6	-62.1	179.5	0	0	0	111.2	D323 P328 Q515	D323-L326 HydrophobicContact CB-CD1 4.22Å; D323-L326 HydrophobicContact CB-CG 4.28Å; D323-L326 PolarHBondContact O-N 3.21Å; L326-P328 WeakPolarHBondContact O-CD 3.05Å; L326-Q515 HydrophobicContact CD1-CB 3.97Å; L326-Q515 HydrophobicContact CD1-CG 3.96Å
327	Y	94.9	Very high	95.9	Very high	28 Å²	28	61.5 Å²	61.5	11%	0.11	31%	0.311	C	S	.	.			trans	-126.5	72.6	-179.2	-47.8	-63	0	0	0	112.2	I322 D323 T324 H329 L330 Q515 F518 F519	I322-Y327 HydrophobicContact CG2-CD2 4.43Å; D323-Y327 PolarHBondContact O-N 3.19Å; T324-Y327 CarbonylContact O-C 3.58Å; Y327-H329 PolarHBondContact O-N 2.97Å; Y327-L330 HydrophobicContact CD2-CD1 4.5Å; Y327-L330 HydrophobicContact CG-CD1 4.19Å; Y327-L330 PolarHBondContact O-N 3.09Å; Y327-Q515 HydrophobicContact CE2-CB 4Å; Y327-Q515 WeakPolarHBondContact CE2-O 3.27Å; Y327-Q515 PolarHBondContact OH-O 3.29Å; Y327-F518 HydrophobicContact CD2-CB 3.92Å; Y327-F518 HydrophobicContact CE2-CB 3.77Å; Y327-F519 HydrophobicContact CE1-CB 3.86Å; Y327-F519 HydrophobicContact CE1-CD2 4.32Å
328	P	94.9	Very high	95.9	Very high	84 Å²	84	65 Å²	65	55%	0.545	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-58.4	-33.3	-176.7	-26.3	35	0	0	0	114.1	T324 L326 L330 K331	T324-P328 WeakPolarHBondContact O-CA 3.4Å; T324-P328 VanDerWaalsContact O-N 3.16Å; L326-P328 WeakPolarHBondContact O-CD 3.05Å; P328-L330 PolarHBondContact O-N 2.95Å; P328-K331 VanDerWaalsContact O-CB 3.23Å; P328-K331 WeakPolarHBondContact O-CB 3.47Å; P328-K331 PolarHBondContact O-N 3.35Å; P328-K331 VanDerWaalsContact O-N 3.14Å
329	H	93.5	Very high	95.9	Very high	103 Å²	103	65 Å²	65	48%	0.477	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-66.9	-11.8	177.8	62.5	-83	0	0	0	113.8	Y327	Y327-H329 PolarHBondContact O-N 2.97Å
330	L	96	Very high	96	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.021	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-97.3	4.9	175.9	-57.4	-176.9	0	0	0	113.2	I322 Y327 P328 D332 I333 F518 L521 R522	I322-L330 HydrophobicContact CG2-CB 4.13Å; I322-L330 HydrophobicContact CG2-CD1 4.13Å; Y327-L330 HydrophobicContact CD2-CD1 4.5Å; Y327-L330 HydrophobicContact CG-CD1 4.19Å; Y327-L330 PolarHBondContact O-N 3.09Å; P328-L330 PolarHBondContact O-N 2.95Å; L330-D332 PolarHBondContact O-N 3.33Å; L330-I333 HydrophobicContact CB-CD1 4.37Å; L330-I333 WeakPolarHBondContact O-CG1 3.44Å; L330-F518 HydrophobicContact CD1-CB 4.29Å; L330-L521 HydrophobicContact CD1-CB 4.18Å; L330-L521 HydrophobicContact CD1-CD2 4.12Å; L330-L521 HydrophobicContact CD2-CB 4.18Å; L330-L521 HydrophobicContact CD2-CD2 3.86Å; L330-L521 HydrophobicContact CD2-CG 4.04Å; L330-R522 HydrophobicContact CD2-CG 3.9Å
331	K	93.6	Very high	96	Very high	139 Å²	139	55.5 Å²	55.5	60%	0.604	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-30.9	179.7	-174.7	-177.7	174.8	-170.5	0	112.9	T324 P328 I333	T324-K331 HydrophobicContact CG2-CB 4.28Å; P328-K331 VanDerWaalsContact O-CB 3.23Å; P328-K331 WeakPolarHBondContact O-CB 3.47Å; P328-K331 PolarHBondContact O-N 3.35Å; P328-K331 VanDerWaalsContact O-N 3.14Å; K331-I333 VanDerWaalsContact C-N 3.34Å; K331-I333 PolarHBondContact O-N 2.65Å
332	D	90.4	Very high	96	Very high	134 Å²	134	57.2 Å²	57.2	72%	0.717	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	20.3	-172	-57.4	-40.8	0	0	0	113.8	L330 S334	L330-D332 PolarHBondContact O-N 3.33Å; D332-S334 PolarHBondContact O-N 3.45Å; D332-S334 VanDerWaalsContact O-N 3.11Å
333	I	95.7	Very high	96.1	Very high	3 Å²	3	57 Å²	57	2%	0.015	29%	0.294	C	S	.	.			trans	-52.5	123.4	168	-72.6	170.4	0	0	0	108.4	I302 L315 I318 K319 I322 L330 K331 E337 L521	I302-I333 HydrophobicContact CD1-CG2 3.99Å; L315-I333 HydrophobicContact CD1-CG2 3.94Å; I318-I333 HydrophobicContact CG2-CD1 4.2Å; I318-I333 HydrophobicContact CG2-CG2 4.26Å; K319-I333 WeakPolarHBondContact CE-O 3.36Å; K319-I333 PolarHBondContact NZ-O 3.06Å; I322-I333 HydrophobicContact CD1-CD1 3.28Å; L330-I333 HydrophobicContact CB-CD1 4.37Å; L330-I333 WeakPolarHBondContact O-CG1 3.44Å; K331-I333 VanDerWaalsContact C-N 3.34Å; K331-I333 PolarHBondContact O-N 2.65Å; I333-E337 HydrophobicContact CG2-CB 4.02Å; I333-E337 HydrophobicContact CG2-CG 4.07Å; I333-L521 HydrophobicContact CD1-CD2 4.42Å
334	S	97	Very high	96.2	Very high	37 Å²	37	56.9 Å²	56.9	26%	0.259	30%	0.295	S	S	.	.			trans	-121.1	174	-172	82.3	0	0	0	0	110.2	D332 S336 E337	D332-S334 PolarHBondContact O-N 3.45Å; D332-S334 VanDerWaalsContact O-N 3.11Å; S334-S336 PolarHBondContact O-N 2.85Å; S334-S336 VanDerWaalsContact O-N 3.1Å; S334-S336 PolarHBondContact OG-N 3.47Å; S334-S336 VanDerWaalsContact OG-N 3.15Å; S334-S336 PolarHBondContact OG-OG 2.92Å; S334-E337 VanDerWaalsContact O-CB 3.27Å; S334-E337 WeakPolarHBondContact O-CB 3.36Å; S334-E337 PolarHBondContact O-N 3.2Å
335	P	98.3	Very high	96.3	Very high	65 Å²	65	58.8 Å²	58.8	42%	0.422	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.3	171.5	-23.6	32.7	0	0	0	114.2	I302 S303 L315 E337	I302-P335 PolarHBondContact N-O 3.03Å; S303-P335 PolarHBondContact N-O 3.11Å; L315-P335 HydrophobicContact CD2-CG 3.86Å; P335-E337 VanDerWaalsContact C-N 3.28Å; P335-E337 PolarHBondContact O-N 3.47Å
336	S	98.1	Very high	96.5	Very high	85 Å²	85	49.6 Å²	49.6	59%	0.594	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-0	178.2	70	0	0	0	0	113.7	S334 N338	S334-S336 PolarHBondContact O-N 2.85Å; S334-S336 VanDerWaalsContact O-N 3.1Å; S334-S336 PolarHBondContact OG-N 3.47Å; S334-S336 VanDerWaalsContact OG-N 3.15Å; S334-S336 PolarHBondContact OG-OG 2.92Å; S336-N338 PolarHBondContact O-N 3.48Å
337	E	98.2	Very high	96.8	Very high	19 Å²	19	44.9 Å²	44.9	9%	0.089	24%	0.241	C	C	.	.			trans	-61.7	129	177.9	-177.4	62.4	-157.5	0	0	111.1	L220 N301 I302 I333 S334 P335 R522	L220-E337 HydrophobicContact CD1-CG 4.04Å; N301-E337 CarbonylContact C-O 3.58Å; N301-E337 WeakPolarHBondContact CA-O 3.19Å; I302-E337 HydrophobicContact CD1-CB 3.63Å; I302-E337 HydrophobicContact CD1-CG 4.07Å; I302-E337 HydrophobicContact CG1-CB 4.04Å; I302-E337 PolarHBondContact N-O 2.62Å; I333-E337 HydrophobicContact CG2-CB 4.02Å; I333-E337 HydrophobicContact CG2-CG 4.07Å; S334-E337 VanDerWaalsContact O-CB 3.27Å; S334-E337 WeakPolarHBondContact O-CB 3.36Å; S334-E337 PolarHBondContact O-N 3.2Å; P335-E337 VanDerWaalsContact C-N 3.28Å; P335-E337 PolarHBondContact O-N 3.47Å; E337-R522 IonicContact OE1-CZ 2.66Å; E337-R522 IonicContact OE1-NH1 3.15Å; E337-R522 PolarHBondContact OE1-NH1 3.19Å; E337-R522 IonicContact OE1-NH2 2.72Å; E337-R522 PolarHBondContact OE1-NH2 2.84Å; E337-R522 IonicContact OE2-CZ 2.9Å; E337-R522 IonicContact OE2-NH1 3.23Å; E337-R522 IonicContact OE2-NH2 2.71Å; E337-R522 PolarHBondContact OE2-NH2 3.47Å
338	N	98.3	Very high	96.9	Very high	74 Å²	74	47.5 Å²	47.5	40%	0.396	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	135.9	176.9	-73.8	-48.3	0	0	0	111.8	I219 S336	I219-N338 HydrophobicContact CD1-CB 4.17Å; S336-N338 PolarHBondContact O-N 3.48Å
339	V	98.6	Very high	97.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	147.4	177	-58.8	0	0	0	0	109.9	L220 K299 M300 I302 L305 I318 V341	L220-V339 HydrophobicContact CB-CG1 3.98Å; L220-V339 HydrophobicContact CD1-CG1 4.26Å; L220-V339 WeakPolarHBondContact O-CA 3.26Å; K299-V339 WeakPolarHBondContact CA-O 3.48Å; M300-V339 HydrophobicContact CG-CG2 4.22Å; M300-V339 PolarHBondContact N-O 3.4Å; M300-V339 WeakPolarHBondContact O-CG2 3.01Å; M300-V339 PolarHBondContact O-N 3.01Å; I302-V339 HydrophobicContact CD1-CG1 4.43Å; I302-V339 HydrophobicContact CG1-CG1 3.89Å; L305-V339 HydrophobicContact CD2-CG2 4.18Å; I318-V339 HydrophobicContact CD1-CG1 4.36Å; V339-V341 HydrophobicContact CG2-CG2 3.99Å
340	V	98.7	Very high	97.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	112.5	167.5	175.3	0	0	0	0	108.8	I219 L220 K221 L222 M296 Y297 K299 R342	I219-V340 HydrophobicContact CD1-CG2 3.87Å; I219-V340 HydrophobicContact CG1-CG2 4.35Å; I219-V340 HydrophobicContact CG2-CG2 4.01Å; L220-V340 PolarHBondContact O-N 3.24Å; K221-V340 VanDerWaalsContact CA-O 3.31Å; K221-V340 WeakPolarHBondContact CA-O 3.24Å; K221-V340 HydrophobicContact CD-CB 4.43Å; K221-V340 HydrophobicContact CG-CB 4.14Å; L222-V340 PolarHBondContact N-O 3.36Å; M296-V340 WeakPolarHBondContact O-CG1 3.25Å; Y297-V340 HydrophobicContact CD2-CG1 4.26Å; Y297-V340 HydrophobicContact CD2-CG2 4.2Å; Y297-V340 HydrophobicContact CE2-CG2 3.9Å; K299-V340 HydrophobicContact CB-CG2 4.3Å; V340-R342 HydrophobicContact CG1-CG 4.37Å
341	V	98.6	Very high	97.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	104.7	175.5	-172.4	0	0	0	0	108.1	L222 N298 M300 L305 V339 V343 P344 F347	L222-V341 HydrophobicContact CD1-CG2 4.44Å; N298-V341 VanDerWaalsContact CB-O 3.26Å; N298-V341 WeakPolarHBondContact CB-O 3.36Å; N298-V341 PolarHBondContact ND2-O 3.37Å; N298-V341 PolarHBondContact O-N 2.05Å; M300-V341 HydrophobicContact CE-CB 4.11Å; M300-V341 HydrophobicContact CE-CG2 4Å; M300-V341 HydrophobicContact CG-CG2 3.93Å; M300-V341 HydrophobicContact SD-CB 4.46Å; M300-V341 HydrophobicContact SD-CG2 3.73Å; L305-V341 HydrophobicContact CD1-CG2 4.07Å; L305-V341 HydrophobicContact CD2-CG2 4.08Å; V339-V341 HydrophobicContact CG2-CG2 3.99Å; V341-V343 PolarHBondContact O-N 2.86Å; V341-P344 HydrophobicContact CG1-CB 3.99Å; V341-F347 HydrophobicContact CG1-CD2 3.73Å; V341-F347 HydrophobicContact CG1-CE2 3.83Å
342	R	98.3	Very high	97.6	Very high	39 Å²	39	41.2 Å²	41.2	15%	0.147	21%	0.212	C	C	.	.	S	Bend	trans	-69.7	-34.9	-175	-64.2	-175.1	63.3	99.9	0.9	112.6	Y207 L222 D223 M296 V340	Y207-R342 VanDerWaalsContact OH-CD 3.29Å; Y207-R342 WeakPolarHBondContact OH-CD 3.26Å; L222-R342 WeakPolarHBondContact O-CB 3.47Å; L222-R342 PolarHBondContact O-N 3.36Å; D223-R342 HydrophobicContact CB-CB 4.26Å; D223-R342 WeakPolarHBondContact OD2-CD 3.47Å; D223-R342 IonicContact OD2-NE 2.85Å; D223-R342 PolarHBondContact OD2-NE 2.92Å; M296-R342 HydrophobicContact CB-CB 4.18Å; M296-R342 HydrophobicContact CB-CG 4.34Å; M296-R342 WeakPolarHBondContact CE-O 3.47Å; M296-R342 WeakPolarHBondContact O-CA 3.3Å; M296-R342 HydrophobicContact SD-CB 4.14Å; V340-R342 HydrophobicContact CG1-CG 4.37Å
343	V	97.6	Very high	98	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	18%	0.183	C	C	.	.			trans	-134.5	66.2	-173.3	-67.5	0	0	0	0	112.1	Q224 I286 R291 M296 V341 Q345 Y346 F347	Q224-V343 HydrophobicContact CB-CG2 4.03Å; Q224-V343 VanDerWaalsContact N-CG2 3.33Å; I286-V343 HydrophobicContact CB-CG1 4.21Å; I286-V343 HydrophobicContact CG1-CB 4.1Å; I286-V343 HydrophobicContact CG1-CG1 3.71Å; R291-V343 VanDerWaalsContact NH1-CG1 3.27Å; M296-V343 HydrophobicContact CE-CG1 4.13Å; M296-V343 HydrophobicContact SD-CG1 3.8Å; V341-V343 PolarHBondContact O-N 2.86Å; V343-Q345 VanDerWaalsContact C-N 3.3Å; V343-Q345 PolarHBondContact O-N 2.92Å; V343-Y346 HydrophobicContact CG2-CD1 3.77Å; V343-Y346 HydrophobicContact CG2-CG 4.17Å; V343-Y346 WeakPolarHBondContact O-CB 3.33Å; V343-Y346 PolarHBondContact O-N 3.15Å; V343-F347 HydrophobicContact CG2-CD2 4.42Å; V343-F347 HydrophobicContact CG2-CE2 3.98Å; V343-F347 HydrophobicContact CG2-CZ 4.17Å; V343-F347 WeakPolarHBondContact O-CD2 3.5Å; V343-F347 PolarHBondContact O-N 3.3Å
344	P	97.3	Very high	98.1	Very high	28 Å²	28	36.2 Å²	36.2	18%	0.182	19%	0.185	C	C	.	.	H	α-helix	trans	-59.6	-38.5	-174.3	23.3	-33.5	0	0	0	113	M308 V341 F347 K348	M308-P344 HydrophobicContact SD-CB 4.1Å; V341-P344 HydrophobicContact CG1-CB 3.99Å; P344-F347 PolarHBondContact O-N 3.47Å; P344-K348 PolarHBondContact O-N 2.84Å; P344-K348 VanDerWaalsContact O-N 3.15Å
345	Q	97.3	Very high	98.1	Very high	97 Å²	97	37.8 Å²	37.8	45%	0.453	21%	0.207	S	C	.	.	H	α-helix	trans	-66.3	-42.6	179.4	-172.5	55.4	42.1	0	0	112.4	V343 F347 K348 D349	V343-Q345 VanDerWaalsContact C-N 3.3Å; V343-Q345 PolarHBondContact O-N 2.92Å; Q345-F347 VanDerWaalsContact C-N 3.27Å; Q345-F347 PolarHBondContact O-N 3.39Å; Q345-K348 WeakPolarHBondContact O-CB 3.27Å; Q345-K348 PolarHBondContact O-N 3.33Å; Q345-D349 VanDerWaalsContact NE2-CG 3.34Å; Q345-D349 PolarHBondContact NE2-OD1 3.02Å; Q345-D349 PolarHBondContact NE2-OD2 3.35Å; Q345-D349 PolarHBondContact O-N 3.3Å
346	Y	98.4	Very high	98.1	Very high	2 Å²	2	39 Å²	39	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-55.1	-43.9	173.8	163.4	-95.3	0	0	0	111.2	F203 Q224 I281 I284 M285 V343 D349 L350	F203-Y346 VanDerWaalsContact O-CE1 3.31Å; F203-Y346 WeakPolarHBondContact O-CE1 3.22Å; F203-Y346 PolarHBondContact O-OH 3.32Å; Q224-Y346 HydrophobicContact CB-CD1 3.75Å; Q224-Y346 HydrophobicContact CB-CD2 4.21Å; Q224-Y346 HydrophobicContact CB-CE1 3.55Å; Q224-Y346 HydrophobicContact CB-CE2 4.03Å; Q224-Y346 HydrophobicContact CB-CG 4.07Å; I281-Y346 HydrophobicContact CG2-CE2 4.07Å; I284-Y346 HydrophobicContact CD1-CD2 3.7Å; I284-Y346 HydrophobicContact CD1-CE2 3.82Å; I284-Y346 HydrophobicContact CG1-CD2 3.86Å; I284-Y346 HydrophobicContact CG1-CE2 4.04Å; M285-Y346 HydrophobicContact CG-CD2 4.15Å; M285-Y346 HydrophobicContact CG-CE2 3.78Å; V343-Y346 HydrophobicContact CG2-CD1 3.77Å; V343-Y346 HydrophobicContact CG2-CG 4.17Å; V343-Y346 WeakPolarHBondContact O-CB 3.33Å; V343-Y346 PolarHBondContact O-N 3.15Å; Y346-D349 PolarHBondContact O-N 2.89Å; Y346-L350 HydrophobicContact CE1-CD2 4Å; Y346-L350 WeakPolarHBondContact O-CB 3.34Å; Y346-L350 PolarHBondContact O-N 3.45Å
347	F	98.6	Very high	98.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.5	-39.8	179.7	-65.9	-52.9	0	0	0	112.8	I204 L222 D223 I309 W314 V341 V343 P344 Q345 D349 L350 F351	I204-F347 HydrophobicContact CB-CE1 4.26Å; I204-F347 HydrophobicContact CG1-CD1 4.4Å; I204-F347 HydrophobicContact CG1-CE1 3.91Å; I204-F347 HydrophobicContact CG2-CE1 4.07Å; I204-F347 HydrophobicContact CG2-CZ 4.2Å; L222-F347 HydrophobicContact CB-CE2 3.86Å; L222-F347 HydrophobicContact CB-CZ 4.04Å; D223-F347 WeakPolarHBondContact O-CZ 3.46Å; I309-F347 HydrophobicContact CD1-CB 3.45Å; I309-F347 VanDerWaalsContact CD1-CB 3.45Å; W314-F347 HydrophobicContact CH2-CB 4.18Å; W314-F347 HydrophobicContact CH2-CD1 4Å; W314-F347 HydrophobicContact CH2-CD2 4.18Å; W314-F347 HydrophobicContact CH2-CE1 4.42Å; W314-F347 AromaticContact CH2-CG 3.88Å; W314-F347 HydrophobicContact CH2-CG 3.88Å; W314-F347 HydrophobicContact CZ2-CB 4.3Å; W314-F347 HydrophobicContact CZ2-CG 4.47Å; V341-F347 HydrophobicContact CG1-CD2 3.73Å; V341-F347 HydrophobicContact CG1-CE2 3.83Å; V343-F347 HydrophobicContact CG2-CD2 4.42Å; V343-F347 HydrophobicContact CG2-CE2 3.98Å; V343-F347 HydrophobicContact CG2-CZ 4.17Å; V343-F347 WeakPolarHBondContact O-CD2 3.5Å; V343-F347 PolarHBondContact O-N 3.3Å; P344-F347 PolarHBondContact O-N 3.47Å; Q345-F347 VanDerWaalsContact C-N 3.27Å; Q345-F347 PolarHBondContact O-N 3.39Å; F347-D349 VanDerWaalsContact C-N 3.32Å; F347-D349 PolarHBondContact O-N 3.25Å; F347-L350 HydrophobicContact CD1-CD2 4.21Å; F347-L350 PolarHBondContact O-N 3.22Å; F347-F351 VanDerWaalsContact O-CD2 3.23Å; F347-F351 WeakPolarHBondContact O-CD2 3.47Å; F347-F351 PolarHBondContact O-N 2.92Å
348	K	97.8	Very high	98.1	Very high	82 Å²	82	42.3 Å²	42.3	36%	0.357	22%	0.217	S	C	.	.	H	α-helix	trans	-55.8	-49.1	173	-73.2	177.9	179	179.2	0	111.3	M308 I309 P344 Q345 R352	M308-K348 VanDerWaalsContact SD-CE 3.57Å; I309-K348 HydrophobicContact CD1-CG 4.05Å; I309-K348 HydrophobicContact CG1-CG 3.75Å; P344-K348 PolarHBondContact O-N 2.84Å; P344-K348 VanDerWaalsContact O-N 3.15Å; Q345-K348 WeakPolarHBondContact O-CB 3.27Å; Q345-K348 PolarHBondContact O-N 3.33Å; K348-R352 PolarHBondContact O-N 3.38Å
349	D	98.6	Very high	98.1	Very high	26 Å²	26	43.6 Å²	43.6	14%	0.139	22%	0.219	C	C	.	.	H	α-helix	trans	-70.9	-38.5	-177.6	-67.3	-38.2	0	0	0	112.4	I284 Q345 Y346 F347 R352 I353	I284-D349 HydrophobicContact CB-CB 4.05Å; I284-D349 HydrophobicContact CD1-CB 3.9Å; I284-D349 HydrophobicContact CG2-CB 3.82Å; Q345-D349 VanDerWaalsContact NE2-CG 3.34Å; Q345-D349 PolarHBondContact NE2-OD1 3.02Å; Q345-D349 PolarHBondContact NE2-OD2 3.35Å; Q345-D349 PolarHBondContact O-N 3.3Å; Y346-D349 PolarHBondContact O-N 2.89Å; F347-D349 VanDerWaalsContact C-N 3.32Å; F347-D349 PolarHBondContact O-N 3.25Å; D349-R352 WeakPolarHBondContact O-CB 3.2Å; D349-R352 PolarHBondContact O-N 3.47Å; D349-R352 IonicContact OD1-CZ 2.76Å; D349-R352 IonicContact OD1-NE 2.7Å; D349-R352 IonicContact OD1-NH2 3.55Å; D349-R352 PolarHBondContact OD1-NH2 3.31Å; D349-I353 WeakPolarHBondContact O-CG1 3.11Å; D349-I353 PolarHBondContact O-N 3.05Å
350	L	98.7	Very high	98	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.5	-52.2	175.7	173.2	72.8	0	0	0	110.7	F203 I281 I284 Y346 F347 R352 I353 L354	F203-L350 HydrophobicContact CB-CD1 4.2Å; F203-L350 HydrophobicContact CB-CD2 3.72Å; F203-L350 HydrophobicContact CD1-CD1 3.91Å; F203-L350 HydrophobicContact CG-CD1 4.15Å; F203-L350 HydrophobicContact CG-CD2 4.44Å; I281-L350 HydrophobicContact CG1-CD1 4.28Å; I284-L350 HydrophobicContact CD1-CB 3.81Å; I284-L350 VanDerWaalsContact CD1-N 3.32Å; Y346-L350 HydrophobicContact CE1-CD2 4Å; Y346-L350 WeakPolarHBondContact O-CB 3.34Å; Y346-L350 PolarHBondContact O-N 3.45Å; F347-L350 HydrophobicContact CD1-CD2 4.21Å; F347-L350 PolarHBondContact O-N 3.22Å; L350-R352 VanDerWaalsContact C-N 3.27Å; L350-R352 PolarHBondContact O-N 3.49Å; L350-I353 WeakPolarHBondContact O-CB 3.34Å; L350-I353 PolarHBondContact O-N 3.35Å; L350-I353 VanDerWaalsContact O-N 3.13Å; L350-L354 HydrophobicContact CD1-CD1 4.01Å; L350-L354 HydrophobicContact CD1-CG 4.1Å; L350-L354 HydrophobicContact CD2-CD1 4.44Å; L350-L354 HydrophobicContact CG-CD1 3.91Å; L350-L354 HydrophobicContact CG-CG 4.28Å; L350-L354 VanDerWaalsContact O-CG 3.29Å; L350-L354 WeakPolarHBondContact O-CG 3.33Å; L350-L354 PolarHBondContact O-N 2.93Å
351	F	98.3	Very high	98.1	Very high	10 Å²	10	46.5 Å²	46.5	4%	0.044	23%	0.232	C	C	.	.	H	α-helix	trans	-69.7	-25.3	-177.4	-77.2	-67.9	0	0	0	113.3	L187 I204 I309 Q311 F312 W314 F347 L354 G355	L187-F351 HydrophobicContact CD2-CE1 4.3Å; I204-F351 HydrophobicContact CD1-CE2 4.45Å; I204-F351 HydrophobicContact CD1-CZ 3.97Å; I309-F351 HydrophobicContact CG2-CB 4.35Å; I309-F351 HydrophobicContact CG2-CD2 3.6Å; I309-F351 HydrophobicContact CG2-CE2 4.29Å; I309-F351 HydrophobicContact CG2-CG 4.23Å; Q311-F351 HydrophobicContact CB-CB 4.04Å; Q311-F351 HydrophobicContact CB-CG 4.49Å; F312-F351 HydrophobicContact CB-CD1 4.02Å; F312-F351 HydrophobicContact CB-CD2 4.25Å; F312-F351 HydrophobicContact CB-CE1 3.51Å; F312-F351 HydrophobicContact CB-CE2 3.77Å; F312-F351 HydrophobicContact CB-CG 4.37Å; F312-F351 HydrophobicContact CB-CZ 3.36Å; F312-F351 HydrophobicContact CD1-CE1 4.36Å; F312-F351 HydrophobicContact CD1-CE2 4.24Å; F312-F351 AromaticContact CD1-CZ 3.63Å; F312-F351 HydrophobicContact CD1-CZ 3.63Å; F312-F351 HydrophobicContact CD2-CD1 4.4Å; F312-F351 AromaticContact CD2-CE1 3.32Å; F312-F351 HydrophobicContact CD2-CE1 3.32Å; F312-F351 AromaticContact CD2-CZ 3.43Å; F312-F351 HydrophobicContact CD2-CZ 3.43Å; F312-F351 VanDerWaalsContact CD2-CZ 3.43Å; F312-F351 HydrophobicContact CE1-CZ 4.22Å; F312-F351 HydrophobicContact CE2-CE1 4.08Å; F312-F351 HydrophobicContact CE2-CZ 4.05Å; F312-F351 HydrophobicContact CG-CD1 4.45Å; F312-F351 AromaticContact CG-CE1 3.49Å; F312-F351 HydrophobicContact CG-CE1 3.49Å; F312-F351 VanDerWaalsContact CG-CE1 3.49Å; F312-F351 AromaticContact CG-CE2 3.98Å; F312-F351 HydrophobicContact CG-CE2 3.98Å; F312-F351 AromaticContact CG-CZ 3.18Å; F312-F351 HydrophobicContact CG-CZ 3.18Å; F312-F351 HydrophobicContact CZ-CZ 4.41Å; W314-F351 AromaticContact CH2-CE2 3.77Å; W314-F351 HydrophobicContact CH2-CE2 3.77Å; W314-F351 HydrophobicContact CH2-CZ 4.48Å; W314-F351 HydrophobicContact CZ2-CD2 4.27Å; W314-F351 AromaticContact CZ2-CE2 3.57Å; W314-F351 HydrophobicContact CZ2-CE2 3.57Å; W314-F351 HydrophobicContact CZ2-CZ 4.44Å; F347-F351 VanDerWaalsContact O-CD2 3.23Å; F347-F351 WeakPolarHBondContact O-CD2 3.47Å; F347-F351 PolarHBondContact O-N 2.92Å; F351-L354 HydrophobicContact CD1-CD1 4.23Å; F351-L354 HydrophobicContact CE1-CD1 4.29Å; F351-G355 PolarHBondContact O-N 3.22Å
352	R	97.8	Very high	98.1	Very high	162 Å²	162	46.8 Å²	46.8	61%	0.611	23%	0.234	S	C	*	.	H	α-helix	trans	-65.9	-47.1	167.5	177.3	173.2	57.2	145.4	-2.8	111.7	K348 D349 L350 G355 S356	K348-R352 PolarHBondContact O-N 3.38Å; D349-R352 WeakPolarHBondContact O-CB 3.2Å; D349-R352 PolarHBondContact O-N 3.47Å; D349-R352 IonicContact OD1-CZ 2.76Å; D349-R352 IonicContact OD1-NE 2.7Å; D349-R352 IonicContact OD1-NH2 3.55Å; D349-R352 PolarHBondContact OD1-NH2 3.31Å; L350-R352 VanDerWaalsContact C-N 3.27Å; L350-R352 PolarHBondContact O-N 3.49Å; R352-G355 PolarHBondContact O-N 2.89Å; R352-S356 PolarHBondContact O-N 3.45Å
353	I	98.5	Very high	98.1	Very high	22 Å²	22	45 Å²	45	11%	0.113	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-53.4	175.1	-70.1	165.3	0	0	0	109.6	L277 K280 I284 D349 L350 G355 S356 E357	L277-I353 HydrophobicContact CD1-CG2 3.76Å; K280-I353 HydrophobicContact CB-CD1 4.19Å; K280-I353 HydrophobicContact CB-CG2 4.33Å; K280-I353 HydrophobicContact CD-CG2 4.33Å; I284-I353 HydrophobicContact CD1-CD1 3.85Å; I284-I353 HydrophobicContact CG1-CD1 4.18Å; I284-I353 HydrophobicContact CG2-CD1 3.86Å; D349-I353 WeakPolarHBondContact O-CG1 3.11Å; D349-I353 PolarHBondContact O-N 3.05Å; L350-I353 WeakPolarHBondContact O-CB 3.34Å; L350-I353 PolarHBondContact O-N 3.35Å; L350-I353 VanDerWaalsContact O-N 3.13Å; I353-G355 VanDerWaalsContact C-N 3.26Å; I353-G355 PolarHBondContact O-N 3.47Å; I353-S356 PolarHBondContact O-N 3.22Å; I353-S356 PolarHBondContact O-OG 3.29Å; I353-E357 HydrophobicContact CG2-CG 4.14Å; I353-E357 WeakPolarHBondContact O-CG 3.5Å; I353-E357 PolarHBondContact O-N 3.49Å; I353-E357 VanDerWaalsContact O-N 3.14Å
354	L	98.3	Very high	98.1	Very high	10 Å²	10	45 Å²	45	5%	0.052	23%	0.227	C	C	.	.	H	α-helix	trans	-60.9	-34	-179	-64	-179.3	0	0	0	112.6	L187 F203 L350 F351 S356 E357 I362	L187-L354 HydrophobicContact CD2-CD1 3.96Å; F203-L354 HydrophobicContact CD2-CD1 4.09Å; F203-L354 HydrophobicContact CE1-CD2 4.28Å; F203-L354 HydrophobicContact CE2-CD1 4.12Å; F203-L354 HydrophobicContact CE2-CD2 3.99Å; F203-L354 HydrophobicContact CZ-CD2 3.78Å; L350-L354 HydrophobicContact CD1-CD1 4.01Å; L350-L354 HydrophobicContact CD1-CG 4.1Å; L350-L354 HydrophobicContact CD2-CD1 4.44Å; L350-L354 HydrophobicContact CG-CD1 3.91Å; L350-L354 HydrophobicContact CG-CG 4.28Å; L350-L354 VanDerWaalsContact O-CG 3.29Å; L350-L354 WeakPolarHBondContact O-CG 3.33Å; L350-L354 PolarHBondContact O-N 2.93Å; F351-L354 HydrophobicContact CD1-CD1 4.23Å; F351-L354 HydrophobicContact CE1-CD1 4.29Å; L354-S356 VanDerWaalsContact C-N 3.29Å; L354-S356 PolarHBondContact O-N 2.89Å; L354-E357 PolarHBondContact O-N 2.94Å; L354-I362 HydrophobicContact CB-CD1 4.24Å; L354-I362 HydrophobicContact CD2-CD1 4.16Å; L354-I362 HydrophobicContact CD2-CG1 4.08Å; L354-I362 HydrophobicContact CD2-CG2 4.28Å; L354-I362 VanDerWaalsContact O-CD1 3.27Å; L354-I362 WeakPolarHBondContact O-CD1 3.46Å
355	G	97.1	Very high	98.2	Very high	70 Å²	70	43.8 Å²	43.8	72%	0.722	22%	0.219	S	C	*	.	H	α-helix	trans	-66.9	-27.6	174.9	0	0	0	0	0	113.9	F351 R352 I353	F351-G355 PolarHBondContact O-N 3.22Å; R352-G355 PolarHBondContact O-N 2.89Å; I353-G355 VanDerWaalsContact C-N 3.26Å; I353-G355 PolarHBondContact O-N 3.47Å
356	S	96.9	Very high	98.3	Very high	91 Å²	91	39.2 Å²	39.2	64%	0.636	20%	0.198	S	C	*	.	H	α-helix	trans	-90.5	-13.2	178.2	71.6	0	0	0	0	114.2	R352 I353 L354	R352-S356 PolarHBondContact O-N 3.45Å; I353-S356 PolarHBondContact O-N 3.22Å; I353-S356 PolarHBondContact O-OG 3.29Å; L354-S356 VanDerWaalsContact C-N 3.29Å; L354-S356 PolarHBondContact O-N 2.89Å
357	E	98.2	Very high	98.3	Very high	37 Å²	37	39.2 Å²	39.2	17%	0.173	20%	0.198	C	C	.	.	S	Bend	trans	-91.1	151.1	-174.6	-75.8	-66.9	164.7	0	0	113	L277 K280 I353 L354 K359 I362	L277-E357 HydrophobicContact CD1-CG 3.96Å; K280-E357 IonicContact NZ-OE1 2.66Å; K280-E357 PolarHBondContact NZ-OE1 2.93Å; I353-E357 HydrophobicContact CG2-CG 4.14Å; I353-E357 WeakPolarHBondContact O-CG 3.5Å; I353-E357 PolarHBondContact O-N 3.49Å; I353-E357 VanDerWaalsContact O-N 3.14Å; L354-E357 PolarHBondContact O-N 2.94Å; E357-K359 PolarHBondContact O-N 2.72Å; E357-I362 HydrophobicContact CB-CD1 4.07Å; E357-I362 HydrophobicContact CB-CG1 4.02Å
358	R	98.3	Very high	98.3	Very high	136 Å²	136	39.2 Å²	39.2	51%	0.513	20%	0.198	S	C	.	.			trans	-63.5	131.9	175.2	-64.9	-174.3	-65.2	-175.3	-4	109.8	S273 K360 T361 I362	S273-R358 PolarHBondContact OG-NH2 2.83Å; R358-K360 PolarHBondContact O-N 2.75Å; R358-K360 VanDerWaalsContact O-N 3.1Å; R358-T361 WeakPolarHBondContact O-CA 3.28Å; R358-T361 WeakPolarHBondContact O-CB 3.19Å; R358-T361 PolarHBondContact O-N 2.94Å; R358-I362 PolarHBondContact O-N 2.79Å; R358-I362 VanDerWaalsContact O-N 3.14Å
359	K	98.1	Very high	98.3	Very high	102 Å²	102	35.9 Å²	35.9	44%	0.443	18%	0.183	S	C	.	.	H	α-helix	trans	-52.6	-36.8	176.4	-71.1	-179	179.2	177.8	0	112.7	W180 E182 F185 E357 I362 A363	W180-K359 HydrophobicContact CH2-CB 4.19Å; W180-K359 HydrophobicContact CZ2-CB 4.45Å; E182-K359 HydrophobicContact CG-CB 3.97Å; E182-K359 HydrophobicContact CG-CD 3.65Å; E182-K359 HydrophobicContact CG-CG 4.4Å; F185-K359 HydrophobicContact CD1-CB 4.06Å; F185-K359 HydrophobicContact CD1-CD 4.44Å; F185-K359 HydrophobicContact CD1-CG 4.33Å; F185-K359 HydrophobicContact CE1-CB 4.43Å; E357-K359 PolarHBondContact O-N 2.72Å; K359-I362 PolarHBondContact O-N 2.84Å; K359-A363 WeakPolarHBondContact O-CB 3.36Å; K359-A363 PolarHBondContact O-N 3.03Å
360	K	98	Very high	98.2	Very high	55 Å²	55	34.7 Å²	34.7	24%	0.239	18%	0.177	C	C	.	.	H	α-helix	trans	-59.9	-44.7	174.4	-166.1	-169.2	-175.7	-159.8	0	112.4	P168 W180 D270 R358 A363 N364	P168-K360 HydrophobicContact CB-CD 4.34Å; P168-K360 HydrophobicContact CB-CG 3.62Å; P168-K360 HydrophobicContact CG-CG 4.13Å; W180-K360 HydrophobicContact CH2-CB 4.05Å; W180-K360 HydrophobicContact CZ3-CB 4.08Å; W180-K360 HydrophobicContact CZ3-CG 4.2Å; D270-K360 IonicContact OD1-NZ 3.74Å; D270-K360 PolarHBondContact OD1-NZ 3.41Å; D270-K360 WeakPolarHBondContact OD2-CE 3.44Å; D270-K360 IonicContact OD2-NZ 3.33Å; D270-K360 PolarHBondContact OD2-NZ 2.84Å; R358-K360 PolarHBondContact O-N 2.75Å; R358-K360 VanDerWaalsContact O-N 3.1Å; K360-A363 PolarHBondContact O-N 3.22Å; K360-N364 WeakPolarHBondContact O-CB 3.37Å; K360-N364 PolarHBondContact O-N 2.93Å; K360-N364 PolarHBondContact O-ND2 2.84Å
361	T	98.8	Very high	98.1	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.031	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-44.5	177.7	-57.4	0	0	0	0	110.5	L277 R358 N364 Y365	L277-T361 HydrophobicContact CB-CG2 4.13Å; L277-T361 HydrophobicContact CD2-CG2 3.97Å; R358-T361 WeakPolarHBondContact O-CA 3.28Å; R358-T361 WeakPolarHBondContact O-CB 3.19Å; R358-T361 PolarHBondContact O-N 2.94Å; T361-N364 PolarHBondContact O-N 3.05Å; T361-Y365 PolarHBondContact O-N 2.74Å
362	I	98.8	Very high	98.1	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.036	19%	0.185	C	C	.	.	H	α-helix	trans	-62	-47.9	178	-58.4	170.3	0	0	0	110.6	F185 L187 F203 L277 L354 E357 R358 K359 N364 Y365 L366	F185-I362 HydrophobicContact CE1-CG2 4.41Å; F185-I362 HydrophobicContact CZ-CG2 4.14Å; L187-I362 HydrophobicContact CD1-CG2 3.97Å; F203-I362 HydrophobicContact CE2-CG2 4.2Å; F203-I362 HydrophobicContact CZ-CG2 4.45Å; L277-I362 HydrophobicContact CD2-CG1 4.43Å; L354-I362 HydrophobicContact CB-CD1 4.24Å; L354-I362 HydrophobicContact CD2-CD1 4.16Å; L354-I362 HydrophobicContact CD2-CG1 4.08Å; L354-I362 HydrophobicContact CD2-CG2 4.28Å; L354-I362 VanDerWaalsContact O-CD1 3.27Å; L354-I362 WeakPolarHBondContact O-CD1 3.46Å; E357-I362 HydrophobicContact CB-CD1 4.07Å; E357-I362 HydrophobicContact CB-CG1 4.02Å; R358-I362 PolarHBondContact O-N 2.79Å; R358-I362 VanDerWaalsContact O-N 3.14Å; K359-I362 PolarHBondContact O-N 2.84Å; I362-N364 PolarHBondContact O-N 2.98Å; I362-Y365 PolarHBondContact O-N 3.49Å; I362-L366 HydrophobicContact CG2-CD1 4.14Å; I362-L366 HydrophobicContact CG2-CG 4.47Å; I362-L366 VanDerWaalsContact O-CG 3.31Å; I362-L366 WeakPolarHBondContact O-CG 3.06Å; I362-L366 PolarHBondContact O-N 2.79Å
363	A	98.5	Very high	98	Very high	2 Å²	2	30.5 Å²	30.5	2%	0.017	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-42.7	177	0	0	0	0	0	112.2	P168 W180 F185 K359 K360 Y365 L366 V367	P168-A363 HydrophobicContact CG-CB 3.7Å; W180-A363 HydrophobicContact CZ2-CB 3.72Å; F185-A363 HydrophobicContact CD2-CB 3.98Å; F185-A363 HydrophobicContact CE2-CB 3.73Å; F185-A363 HydrophobicContact CZ-CB 4.04Å; K359-A363 WeakPolarHBondContact O-CB 3.36Å; K359-A363 PolarHBondContact O-N 3.03Å; K360-A363 PolarHBondContact O-N 3.22Å; A363-Y365 PolarHBondContact O-N 2.75Å; A363-L366 PolarHBondContact O-N 2.95Å; A363-V367 WeakPolarHBondContact O-CG2 3.27Å; A363-V367 PolarHBondContact O-N 2.76Å
364	N	98.8	Very high	97.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-60.4	-43.4	174.3	-86	-28.6	0	0	0	112	W167 P168 V169 D270 M271 V274 K360 T361 I362 W368	W167-N364 VanDerWaalsContact CD1-OD1 3.27Å; W167-N364 PolarHBondContact NE1-O 3.16Å; W167-N364 PolarHBondContact NE1-OD1 3.35Å; P168-N364 WeakPolarHBondContact CB-OD1 3.48Å; P168-N364 WeakPolarHBondContact CD-OD1 3.25Å; P168-N364 WeakPolarHBondContact CG-OD1 3.42Å; V169-N364 PolarHBondContact N-OD1 3.06Å; D270-N364 PolarHBondContact OD2-ND2 3.24Å; M271-N364 HydrophobicContact CE-CB 4.18Å; V274-N364 HydrophobicContact CG2-CB 3.61Å; K360-N364 WeakPolarHBondContact O-CB 3.37Å; K360-N364 PolarHBondContact O-N 2.93Å; K360-N364 PolarHBondContact O-ND2 2.84Å; T361-N364 PolarHBondContact O-N 3.05Å; I362-N364 PolarHBondContact O-N 2.98Å; N364-W368 VanDerWaalsContact O-CB 3.22Å; N364-W368 WeakPolarHBondContact O-CB 3.43Å; N364-W368 PolarHBondContact O-N 2.97Å
365	Y	98.9	Very high	97.8	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-63.7	-49.5	177.4	176.6	-90.5	0	0	0	111.5	V202 F203 V274 L277 E278 I281 T361 I362 A363 V367 W368 R369	V202-Y365 HydrophobicContact CG1-CD1 4.01Å; V202-Y365 HydrophobicContact CG1-CE1 3.48Å; V202-Y365 VanDerWaalsContact CG1-CE1 3.48Å; F203-Y365 HydrophobicContact CD1-CD1 4.34Å; F203-Y365 AromaticContact CD1-CE1 3.72Å; F203-Y365 HydrophobicContact CD1-CE1 3.72Å; F203-Y365 AromaticContact CE1-CD1 3.3Å; F203-Y365 HydrophobicContact CE1-CD1 3.3Å; F203-Y365 AromaticContact CE1-CE1 3.02Å; F203-Y365 HydrophobicContact CE1-CE1 3.02Å; F203-Y365 HydrophobicContact CE1-CG 4.33Å; F203-Y365 AromaticContact CE1-CZ 3.92Å; F203-Y365 HydrophobicContact CE2-CD1 4.23Å; F203-Y365 HydrophobicContact CE2-CE1 4.47Å; F203-Y365 AromaticContact CZ-CD1 3.23Å; F203-Y365 HydrophobicContact CZ-CD1 3.23Å; F203-Y365 AromaticContact CZ-CE1 3.5Å; F203-Y365 HydrophobicContact CZ-CE1 3.5Å; F203-Y365 HydrophobicContact CZ-CG 4.23Å; V274-Y365 HydrophobicContact CG1-CD2 3.81Å; V274-Y365 HydrophobicContact CG1-CG 4.46Å; L277-Y365 HydrophobicContact CD2-CG 4.23Å; E278-Y365 HydrophobicContact CB-CD2 4.41Å; E278-Y365 HydrophobicContact CB-CE2 3.81Å; E278-Y365 HydrophobicContact CG-CE2 3.74Å; E278-Y365 PolarHBondContact OE1-OH 3.45Å; I281-Y365 HydrophobicContact CD1-CE1 4.45Å; T361-Y365 PolarHBondContact O-N 2.74Å; I362-Y365 PolarHBondContact O-N 3.49Å; A363-Y365 PolarHBondContact O-N 2.75Å; Y365-V367 PolarHBondContact O-N 2.91Å; Y365-W368 WeakPolarHBondContact O-CB 3.19Å; Y365-W368 PolarHBondContact O-N 3.06Å; Y365-R369 HydrophobicContact CD1-CG 4.14Å; Y365-R369 HydrophobicContact CE1-CG 3.73Å; Y365-R369 HydrophobicContact CE2-CG 4.33Å; Y365-R369 WeakPolarHBondContact O-CG 3.27Å; Y365-R369 PolarHBondContact O-N 3.26Å
366	L	98.6	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-53.4	-55.8	177.5	-69.4	169.6	0	0	0	110.4	F185 L187 T190 L191 F194 V202 F203 I362 A363 W368 R369 M370	F185-L366 HydrophobicContact CE2-CD1 4.03Å; F185-L366 HydrophobicContact CZ-CD1 3.83Å; L187-L366 HydrophobicContact CD1-CD1 3.71Å; L187-L366 HydrophobicContact CD1-CD2 4.44Å; T190-L366 HydrophobicContact CG2-CB 4.24Å; T190-L366 HydrophobicContact CG2-CD1 3.77Å; L191-L366 HydrophobicContact CD2-CD2 3.55Å; L191-L366 HydrophobicContact CG-CD2 4.38Å; F194-L366 HydrophobicContact CE2-CB 3.96Å; F194-L366 VanDerWaalsContact CE2-O 3.22Å; F194-L366 WeakPolarHBondContact CE2-O 3.41Å; F194-L366 HydrophobicContact CZ-CB 4.34Å; V202-L366 HydrophobicContact CB-CD2 4.02Å; V202-L366 HydrophobicContact CG1-CD2 3.64Å; F203-L366 HydrophobicContact CD2-CD2 3.94Å; F203-L366 HydrophobicContact CE2-CD2 3.54Å; F203-L366 HydrophobicContact CE2-CG 4.11Å; F203-L366 HydrophobicContact CZ-CD2 4.3Å; I362-L366 HydrophobicContact CG2-CD1 4.14Å; I362-L366 HydrophobicContact CG2-CG 4.47Å; I362-L366 VanDerWaalsContact O-CG 3.31Å; I362-L366 WeakPolarHBondContact O-CG 3.06Å; I362-L366 PolarHBondContact O-N 2.79Å; A363-L366 PolarHBondContact O-N 2.95Å; L366-W368 VanDerWaalsContact C-N 3.32Å; L366-W368 PolarHBondContact O-N 2.98Å; L366-R369 WeakPolarHBondContact O-CB 3.23Å; L366-R369 PolarHBondContact O-N 3.14Å; L366-R369 VanDerWaalsContact O-N 3.11Å; L366-M370 PolarHBondContact O-N 3.44Å
367	V	98.3	Very high	97.6	Very high	2 Å²	2	26 Å²	26	1%	0.012	12%	0.121	C	C	.	.	H	α-helix	trans	-66.6	-35	-176.8	-178.2	0	0	0	0	111.8	L160 F165 W167 A363 Y365 R369 M370 V371	L160-V367 HydrophobicContact CD2-CG1 3.52Å; F165-V367 WeakPolarHBondContact O-CG1 3.47Å; W167-V367 HydrophobicContact CB-CB 4.21Å; W167-V367 HydrophobicContact CB-CG1 3.59Å; W167-V367 HydrophobicContact CD2-CG1 3.95Å; W167-V367 HydrophobicContact CG-CB 3.86Å; W167-V367 HydrophobicContact CG-CG1 3.47Å; W167-V367 VanDerWaalsContact CG-CG1 3.47Å; A363-V367 WeakPolarHBondContact O-CG2 3.27Å; A363-V367 PolarHBondContact O-N 2.76Å; Y365-V367 PolarHBondContact O-N 2.91Å; V367-R369 VanDerWaalsContact C-N 3.33Å; V367-R369 PolarHBondContact O-N 3.44Å; V367-M370 WeakPolarHBondContact O-CB 3.48Å; V367-M370 PolarHBondContact O-N 3.19Å; V367-M370 VanDerWaalsContact O-N 3.12Å; V367-V371 HydrophobicContact CG1-CG2 4.13Å; V367-V371 WeakPolarHBondContact O-CG2 3.24Å; V367-V371 PolarHBondContact O-N 3.06Å
368	W	98.6	Very high	97.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-53.9	-48.3	170.1	162.2	-110.8	0	0	0	111.7	W167 S228 L249 F252 M253 T256 V274 N364 Y365 L366 M370 V371 Y372	W167-W368 HydrophobicContact CH2-CE3 4.27Å; W167-W368 HydrophobicContact CZ2-CB 4.2Å; W167-W368 HydrophobicContact CZ2-CE3 4.26Å; S228-W368 PolarHBondContact OG-NE1 3.48Å; S228-W368 VanDerWaalsContact OG-NE1 3.09Å; L249-W368 HydrophobicContact CD1-CZ2 4.03Å; F252-W368 AromaticContact CD1-CH2 3.69Å; F252-W368 HydrophobicContact CD1-CH2 3.69Å; F252-W368 HydrophobicContact CD1-CZ2 4.19Å; F252-W368 AromaticContact CE1-CH2 3.88Å; F252-W368 HydrophobicContact CE1-CH2 3.88Å; F252-W368 HydrophobicContact CE1-CZ2 4.46Å; F252-W368 HydrophobicContact CG-CH2 4.33Å; M253-W368 HydrophobicContact CB-CE3 4.44Å; M253-W368 HydrophobicContact CB-CH2 4.2Å; M253-W368 HydrophobicContact CB-CZ2 4.38Å; M253-W368 HydrophobicContact CB-CZ3 4.25Å; M253-W368 HydrophobicContact CE-CZ2 4.18Å; M253-W368 VanDerWaalsContact CE-NE1 3.27Å; M253-W368 HydrophobicContact CG-CD2 3.82Å; M253-W368 VanDerWaalsContact CG-CE2 3.46Å; M253-W368 HydrophobicContact CG-CE3 4.08Å; M253-W368 HydrophobicContact CG-CH2 3.66Å; M253-W368 HydrophobicContact CG-CZ2 3.37Å; M253-W368 HydrophobicContact CG-CZ3 4.02Å; T256-W368 HydrophobicContact CG2-CZ3 4.2Å; V274-W368 HydrophobicContact CG1-CG 4.44Å; N364-W368 VanDerWaalsContact O-CB 3.22Å; N364-W368 WeakPolarHBondContact O-CB 3.43Å; N364-W368 PolarHBondContact O-N 2.97Å; Y365-W368 WeakPolarHBondContact O-CB 3.19Å; Y365-W368 PolarHBondContact O-N 3.06Å; L366-W368 VanDerWaalsContact C-N 3.32Å; L366-W368 PolarHBondContact O-N 2.98Å; W368-M370 PolarHBondContact O-N 3.05Å; W368-V371 PolarHBondContact O-N 3.35Å; W368-Y372 AromaticContact CH2-CD2 3.91Å; W368-Y372 HydrophobicContact CH2-CD2 3.91Å; W368-Y372 AromaticContact CZ2-CD2 3.54Å; W368-Y372 HydrophobicContact CZ2-CD2 3.54Å; W368-Y372 HydrophobicContact CZ2-CE2 4.39Å; W368-Y372 HydrophobicContact CZ2-CG 4.2Å; W368-Y372 VanDerWaalsContact O-CB 3.25Å; W368-Y372 WeakPolarHBondContact O-CB 3.24Å; W368-Y372 PolarHBondContact O-N 3.04Å
369	R	98.2	Very high	97.5	Very high	13 Å²	13	17.9 Å²	17.9	5%	0.049	9%	0.089	C	C	.	.	H	α-helix	trans	-59.6	-35.7	178.1	-63.9	-58.5	-59.7	-167.7	6.1	112.8	V202 T226 L227 S228 E278 Y365 L366 V367 S373	V202-R369 HydrophobicContact CG1-CB 4.17Å; V202-R369 HydrophobicContact CG1-CG 3.72Å; V202-R369 HydrophobicContact CG2-CB 3.53Å; V202-R369 HydrophobicContact CG2-CG 4.01Å; T226-R369 PolarHBondContact O-NH2 2.92Å; T226-R369 VanDerWaalsContact O-NH2 3.12Å; L227-R369 PolarHBondContact O-NH1 3.31Å; L227-R369 VanDerWaalsContact O-NH1 3.17Å; L227-R369 PolarHBondContact O-NH2 2.97Å; S228-R369 PolarHBondContact OG-NH1 3.3Å; E278-R369 IonicContact OE1-NH1 3.6Å; E278-R369 PolarHBondContact OE1-NH1 2.87Å; Y365-R369 HydrophobicContact CD1-CG 4.14Å; Y365-R369 HydrophobicContact CE1-CG 3.73Å; Y365-R369 HydrophobicContact CE2-CG 4.33Å; Y365-R369 WeakPolarHBondContact O-CG 3.27Å; Y365-R369 PolarHBondContact O-N 3.26Å; L366-R369 WeakPolarHBondContact O-CB 3.23Å; L366-R369 PolarHBondContact O-N 3.14Å; L366-R369 VanDerWaalsContact O-N 3.11Å; V367-R369 VanDerWaalsContact C-N 3.33Å; V367-R369 PolarHBondContact O-N 3.44Å; R369-S373 PolarHBondContact O-N 3.35Å
370	M	96.1	Very high	97.5	Very high	1 Å²	1	18 Å²	18	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-69.8	-49.6	174.5	179.9	53	-173.5	0	0	111.5	F165 F194 Y198 N200 L366 V367 W368 Y372 S373 R374	F165-M370 HydrophobicContact CD1-CG 4.42Å; F165-M370 HydrophobicContact CE1-CG 4.49Å; F194-M370 HydrophobicContact CE2-CB 3.97Å; F194-M370 HydrophobicContact CZ-CB 4.01Å; Y198-M370 HydrophobicContact CD1-CE 3.4Å; Y198-M370 VanDerWaalsContact CD1-CE 3.4Å; Y198-M370 HydrophobicContact CE1-CE 4.01Å; Y198-M370 HydrophobicContact CG-CE 3.99Å; N200-M370 WeakPolarHBondContact ND2-CA 3.49Å; L366-M370 PolarHBondContact O-N 3.44Å; V367-M370 WeakPolarHBondContact O-CB 3.48Å; V367-M370 PolarHBondContact O-N 3.19Å; V367-M370 VanDerWaalsContact O-N 3.12Å; W368-M370 PolarHBondContact O-N 3.05Å; M370-Y372 PolarHBondContact O-N 3.29Å; M370-S373 PolarHBondContact O-N 2.85Å; M370-S373 PolarHBondContact O-OG 2.7Å; M370-R374 HydrophobicContact CE-CG 3.78Å; M370-R374 WeakPolarHBondContact O-CG 3.48Å; M370-R374 PolarHBondContact O-N 2.86Å; M370-R374 HydrophobicContact SD-CG 4.36Å
371	V	98.1	Very high	97.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.9	-49.7	177.9	170.9	0	0	0	0	110.8	L156 L160 W167 T256 L260 V367 W368 S373 R374 I375	L156-V371 HydrophobicContact CD2-CG1 4.17Å; L156-V371 HydrophobicContact CD2-CG2 4.31Å; L160-V371 HydrophobicContact CD1-CG2 4.26Å; L160-V371 HydrophobicContact CD2-CG2 4.18Å; W167-V371 HydrophobicContact CE3-CG2 4.11Å; W167-V371 HydrophobicContact CH2-CG1 4.44Å; W167-V371 HydrophobicContact CZ3-CG1 4.29Å; W167-V371 HydrophobicContact CZ3-CG2 4.09Å; T256-V371 HydrophobicContact CG2-CG1 3.68Å; L260-V371 HydrophobicContact CD1-CG1 3.81Å; L260-V371 HydrophobicContact CD1-CG2 4.48Å; V367-V371 HydrophobicContact CG1-CG2 4.13Å; V367-V371 WeakPolarHBondContact O-CG2 3.24Å; V367-V371 PolarHBondContact O-N 3.06Å; W368-V371 PolarHBondContact O-N 3.35Å; V371-S373 VanDerWaalsContact C-N 3.25Å; V371-S373 PolarHBondContact O-N 3.31Å; V371-R374 PolarHBondContact O-N 3.31Å; V371-I375 WeakPolarHBondContact O-CG1 3.37Å; V371-I375 PolarHBondContact O-N 3.19Å
372	Y	98	Very high	97.4	Very high	53 Å²	53	20.2 Å²	20.2	21%	0.208	9%	0.093	C	C	.	.	H	α-helix	trans	-48.5	-47.2	176.7	178.9	-97.9	0	0	0	111.8	S228 F252 W368 M370 R374 I375 F389	S228-Y372 PolarHBondContact O-OH 3.22Å; F252-Y372 HydrophobicContact CD1-CD2 4.36Å; F252-Y372 HydrophobicContact CD1-CE2 4.27Å; F252-Y372 AromaticContact CE1-CD2 3.68Å; F252-Y372 HydrophobicContact CE1-CD2 3.68Å; F252-Y372 AromaticContact CE1-CE2 3.67Å; F252-Y372 HydrophobicContact CE1-CE2 3.67Å; W368-Y372 AromaticContact CH2-CD2 3.91Å; W368-Y372 HydrophobicContact CH2-CD2 3.91Å; W368-Y372 AromaticContact CZ2-CD2 3.54Å; W368-Y372 HydrophobicContact CZ2-CD2 3.54Å; W368-Y372 HydrophobicContact CZ2-CE2 4.39Å; W368-Y372 HydrophobicContact CZ2-CG 4.2Å; W368-Y372 VanDerWaalsContact O-CB 3.25Å; W368-Y372 WeakPolarHBondContact O-CB 3.24Å; W368-Y372 PolarHBondContact O-N 3.04Å; M370-Y372 PolarHBondContact O-N 3.29Å; Y372-R374 PolarHBondContact O-N 3.16Å; Y372-I375 PolarHBondContact O-N 2.99Å; Y372-F389 HydrophobicContact CE2-CE1 4.33Å
373	S	95.7	Very high	97.3	Very high	30 Å²	30	20.5 Å²	20.5	21%	0.21	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.9	-179.4	80.2	0	0	0	0	115	R369 M370 V371	R369-S373 PolarHBondContact O-N 3.35Å; M370-S373 PolarHBondContact O-N 2.85Å; M370-S373 PolarHBondContact O-OG 2.7Å; V371-S373 VanDerWaalsContact C-N 3.25Å; V371-S373 PolarHBondContact O-N 3.31Å
374	R	95.9	Very high	97.3	Very high	12 Å²	12	25.2 Å²	25.2	5%	0.045	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-10.7	-177.2	-63.5	-59.4	79.8	127.7	6.5	114	M370 V371 Y372 P376 N377 F503 R510	M370-R374 HydrophobicContact CE-CG 3.78Å; M370-R374 WeakPolarHBondContact O-CG 3.48Å; M370-R374 PolarHBondContact O-N 2.86Å; M370-R374 HydrophobicContact SD-CG 4.36Å; V371-R374 PolarHBondContact O-N 3.31Å; Y372-R374 PolarHBondContact O-N 3.16Å; R374-P376 VanDerWaalsContact C-CD 3.44Å; R374-P376 VanDerWaalsContact C-N 3.31Å; R374-N377 WeakPolarHBondContact O-CB 3.46Å; R374-N377 PolarHBondContact O-N 3.47Å; R374-F503 HydrophobicContact CB-CE2 4.47Å; R374-R510 VanDerWaalsContact NH1-CG 3.31Å
375	I	97	Very high	97.2	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-52.3	-42	178.7	-72.3	168.4	0	0	0	113	F252 T256 V371 Y372 N377 L378 F382 W386	F252-I375 HydrophobicContact CE1-CD1 3.9Å; F252-I375 HydrophobicContact CE2-CD1 3.93Å; F252-I375 HydrophobicContact CZ-CD1 3.25Å; F252-I375 HydrophobicContact CZ-CG1 4.48Å; F252-I375 HydrophobicContact CZ-CG2 4.27Å; T256-I375 HydrophobicContact CG2-CD1 3.95Å; T256-I375 HydrophobicContact CG2-CG1 4.46Å; V371-I375 WeakPolarHBondContact O-CG1 3.37Å; V371-I375 PolarHBondContact O-N 3.19Å; Y372-I375 PolarHBondContact O-N 2.99Å; I375-N377 PolarHBondContact O-N 2.76Å; I375-L378 PolarHBondContact O-N 2.52Å; I375-F382 HydrophobicContact CG2-CB 4.2Å; I375-W386 HydrophobicContact CG2-CB 3.83Å
376	P	94.3	Very high	97.2	Very high	70 Å²	70	33.9 Å²	33.9	46%	0.455	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-62.3	-15	177.1	-25.2	36	0	0	0	114.8	R374	R374-P376 VanDerWaalsContact C-CD 3.44Å; R374-P376 VanDerWaalsContact C-N 3.31Å
377	N	95.2	Very high	97.1	Very high	17 Å²	17	34.2 Å²	34.2	9%	0.091	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-101.8	6.9	-176.6	-47.2	117.8	0	0	0	113.4	R374 I375 Y502 F503 V506	R374-N377 WeakPolarHBondContact O-CB 3.46Å; R374-N377 PolarHBondContact O-N 3.47Å; I375-N377 PolarHBondContact O-N 2.76Å; N377-Y502 HydrophobicContact CB-CE1 4.06Å; N377-Y502 PolarHBondContact ND2-OH 2.88Å; N377-F503 HydrophobicContact CB-CD2 4.15Å; N377-F503 HydrophobicContact CB-CE2 4.36Å; N377-V506 HydrophobicContact CB-CG2 4.43Å
378	L	96.9	Very high	97.1	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	17%	0.166	C	C	.	.	S	Bend	trans	-104.3	179.5	179	-58.8	179.3	0	0	0	111.3	L156 I375 F382 Q383 F503	L156-L378 HydrophobicContact CB-CD2 4.08Å; L156-L378 HydrophobicContact CD2-CD1 3.79Å; I375-L378 PolarHBondContact O-N 2.52Å; L378-F382 HydrophobicContact CB-CB 3.97Å; L378-F382 HydrophobicContact CB-CD2 3.76Å; L378-F382 HydrophobicContact CB-CG 3.99Å; L378-F382 HydrophobicContact CD1-CB 4.28Å; L378-F382 HydrophobicContact CD1-CD1 3.95Å; L378-F382 HydrophobicContact CD1-CD2 3.91Å; L378-F382 HydrophobicContact CD1-CE1 4.26Å; L378-F382 HydrophobicContact CD1-CE2 4.22Å; L378-F382 HydrophobicContact CD1-CG 3.77Å; L378-F382 HydrophobicContact CD1-CZ 4.39Å; L378-F382 HydrophobicContact CG-CD2 4.49Å; L378-Q383 PolarHBondContact O-NE2 3.14Å; L378-F503 HydrophobicContact CD2-CD2 4.05Å; L378-F503 HydrophobicContact CD2-CE2 3.66Å
379	S	97.2	Very high	97.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.167	C	C	.	.			trans	-57.4	163.5	175.1	60.5	0	0	0	0	113.6	E149 D152 R381 F382 Q383	E149-S379 WeakPolarHBondContact OE1-CA 3.19Å; E149-S379 WeakPolarHBondContact OE2-CB 3.39Å; D152-S379 WeakPolarHBondContact OD1-CB 3.5Å; D152-S379 PolarHBondContact OD1-OG 3.28Å; S379-R381 PolarHBondContact O-N 3.5Å; S379-R381 VanDerWaalsContact O-N 3.12Å; S379-F382 PolarHBondContact O-N 3.04Å; S379-F382 WeakPolarHBondContact OG-CD2 3.37Å; S379-Q383 PolarHBondContact O-N 3.36Å
380	R	96.8	Very high	97	Very high	105 Å²	105	38 Å²	38	40%	0.396	17%	0.165	S	C	.	.	H	α-helix	trans	-53.7	-36.1	-175.6	-133.5	174.4	-131.5	-127.8	3.9	113.8	E145 E149 F382 Q383 Y384 L399	E145-R380 IonicContact OE2-NE 2.69Å; E145-R380 IonicContact OE2-NH2 2.78Å; E145-R380 PolarHBondContact OE2-NH2 2.92Å; E149-R380 WeakPolarHBondContact OE1-CB 3.17Å; E149-R380 PolarHBondContact OE1-N 3.18Å; R380-F382 VanDerWaalsContact C-N 3.26Å; R380-F382 PolarHBondContact O-N 3.44Å; R380-Q383 CarbonylContact O-C 3.58Å; R380-Q383 PolarHBondContact O-N 3.32Å; R380-Q383 VanDerWaalsContact O-N 3.13Å; R380-Y384 HydrophobicContact CB-CD2 4.18Å; R380-Y384 HydrophobicContact CB-CE2 3.94Å; R380-Y384 HydrophobicContact CG-CD2 4Å; R380-Y384 HydrophobicContact CG-CE2 3.44Å; R380-Y384 VanDerWaalsContact CG-CE2 3.44Å; R380-Y384 PolarHBondContact NH1-OH 3.03Å; R380-Y384 WeakPolarHBondContact O-CD2 3.21Å; R380-Y384 PolarHBondContact O-N 3.48Å; R380-L399 HydrophobicContact CG-CD1 4.3Å
381	R	97.3	Very high	97.1	Very high	105 Å²	105	42.1 Å²	42.1	40%	0.396	18%	0.18	S	C	.	.	H	α-helix	trans	-61.4	-33.2	-179.5	70.7	-177.1	-177	160.3	7.9	112.9	D152 S379 R385	D152-R381 IonicContact OD1-CZ 2.79Å; D152-R381 IonicContact OD1-NE 3.96Å; D152-R381 PolarHBondContact OD1-NE 3.47Å; D152-R381 IonicContact OD1-NH2 2.81Å; D152-R381 PolarHBondContact OD1-NH2 3.25Å; D152-R381 IonicContact OD2-CZ 3.37Å; D152-R381 IonicContact OD2-NE 2.84Å; D152-R381 IonicContact OD2-NH1 3.17Å; D152-R381 IonicContact OD2-NH2 3.52Å; D152-R381 PolarHBondContact OD2-NH2 3.2Å; S379-R381 PolarHBondContact O-N 3.5Å; S379-R381 VanDerWaalsContact O-N 3.12Å; R381-R385 PolarHBondContact O-N 2.96Å
382	F	98.3	Very high	97	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-74.7	-42.4	174.1	-71.3	-83	0	0	0	111.2	A153 L259 L260 I375 L378 S379 R380 Y384 R385 W386	A153-F382 HydrophobicContact CB-CE2 3.77Å; A153-F382 HydrophobicContact CB-CZ 3.74Å; L259-F382 HydrophobicContact CB-CD1 4.34Å; L259-F382 HydrophobicContact CB-CE1 3.58Å; L259-F382 HydrophobicContact CB-CZ 3.91Å; L259-F382 HydrophobicContact CD1-CD1 4.01Å; L259-F382 HydrophobicContact CD1-CE1 4.07Å; L259-F382 HydrophobicContact CG-CE1 4.49Å; L260-F382 HydrophobicContact CD2-CE1 3.98Å; L260-F382 HydrophobicContact CD2-CZ 3.82Å; L260-F382 HydrophobicContact CG-CE1 3.9Å; L260-F382 HydrophobicContact CG-CZ 4.15Å; I375-F382 HydrophobicContact CG2-CB 4.2Å; L378-F382 HydrophobicContact CB-CB 3.97Å; L378-F382 HydrophobicContact CB-CD2 3.76Å; L378-F382 HydrophobicContact CB-CG 3.99Å; L378-F382 HydrophobicContact CD1-CB 4.28Å; L378-F382 HydrophobicContact CD1-CD1 3.95Å; L378-F382 HydrophobicContact CD1-CD2 3.91Å; L378-F382 HydrophobicContact CD1-CE1 4.26Å; L378-F382 HydrophobicContact CD1-CE2 4.22Å; L378-F382 HydrophobicContact CD1-CG 3.77Å; L378-F382 HydrophobicContact CD1-CZ 4.39Å; L378-F382 HydrophobicContact CG-CD2 4.49Å; S379-F382 PolarHBondContact O-N 3.04Å; S379-F382 WeakPolarHBondContact OG-CD2 3.37Å; R380-F382 VanDerWaalsContact C-N 3.26Å; R380-F382 PolarHBondContact O-N 3.44Å; F382-Y384 VanDerWaalsContact C-N 3.3Å; F382-Y384 PolarHBondContact O-N 3.2Å; F382-R385 PolarHBondContact O-N 3.02Å; F382-R385 VanDerWaalsContact O-N 3.16Å; F382-W386 PolarHBondContact O-N 3.38Å
383	Q	96.9	Very high	96.9	Very high	14 Å²	14	43.3 Å²	43.3	7%	0.065	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-38	177	-59.2	-177	41	0	0	111.8	L378 S379 R380 W386 L387 L399	L378-Q383 PolarHBondContact O-NE2 3.14Å; S379-Q383 PolarHBondContact O-N 3.36Å; R380-Q383 CarbonylContact O-C 3.58Å; R380-Q383 PolarHBondContact O-N 3.32Å; R380-Q383 VanDerWaalsContact O-N 3.13Å; Q383-W386 CarbonylContact O-C 3.51Å; Q383-W386 WeakPolarHBondContact O-CB 3.34Å; Q383-W386 PolarHBondContact O-N 3.13Å; Q383-L387 PolarHBondContact O-N 3Å; Q383-L399 HydrophobicContact CB-CD1 3.84Å; Q383-L399 HydrophobicContact CB-CD2 4.06Å
384	Y	97.7	Very high	96.9	Very high	100 Å²	100	44 Å²	44	39%	0.392	19%	0.192	S	C	.	.	H	α-helix	trans	-65.2	-36.6	174.2	-75.1	-52.9	0	0	0	112.5	R380 F382 W386 L387 E388 L399	R380-Y384 HydrophobicContact CB-CD2 4.18Å; R380-Y384 HydrophobicContact CB-CE2 3.94Å; R380-Y384 HydrophobicContact CG-CD2 4Å; R380-Y384 HydrophobicContact CG-CE2 3.44Å; R380-Y384 VanDerWaalsContact CG-CE2 3.44Å; R380-Y384 PolarHBondContact NH1-OH 3.03Å; R380-Y384 WeakPolarHBondContact O-CD2 3.21Å; R380-Y384 PolarHBondContact O-N 3.48Å; F382-Y384 VanDerWaalsContact C-N 3.3Å; F382-Y384 PolarHBondContact O-N 3.2Å; Y384-W386 VanDerWaalsContact C-N 3.31Å; Y384-W386 PolarHBondContact O-N 2.88Å; Y384-L387 HydrophobicContact CD1-CD2 4.16Å; Y384-L387 WeakPolarHBondContact O-CB 3.23Å; Y384-L387 PolarHBondContact O-N 3.16Å; Y384-E388 WeakPolarHBondContact O-CG 3.27Å; Y384-E388 PolarHBondContact O-N 2.8Å; Y384-L399 HydrophobicContact CD1-CD1 3.97Å; Y384-L399 HydrophobicContact CD1-CG 4.37Å; Y384-L399 HydrophobicContact CE1-CD1 3.82Å; Y384-L399 HydrophobicContact CE1-CG 4.3Å
385	R	97.9	Very high	96.9	Very high	107 Å²	107	43.8 Å²	43.8	40%	0.404	19%	0.193	S	C	.	.	H	α-helix	trans	-64.8	-37.5	171.6	-67.7	-53.9	179.7	-153.2	-0.9	112.3	F252 D255 L259 R381 F382 F389	F252-R385 HydrophobicContact CD2-CB 4.15Å; F252-R385 WeakPolarHBondContact CD2-O 3.3Å; F252-R385 HydrophobicContact CE2-CB 3.98Å; D255-R385 HydrophobicContact CB-CG 4.49Å; L259-R385 HydrophobicContact CD1-CB 4.49Å; L259-R385 HydrophobicContact CD1-CG 3.55Å; R381-R385 PolarHBondContact O-N 2.96Å; F382-R385 PolarHBondContact O-N 3.02Å; F382-R385 VanDerWaalsContact O-N 3.16Å; R385-F389 PolarHBondContact O-N 3.37Å
386	W	97.5	Very high	96.8	Very high	80 Å²	80	44 Å²	44	30%	0.303	19%	0.194	S	C	.	.	H	α-helix	trans	-65.6	-38.7	171.9	176.8	84.6	0	0	0	112	F252 I375 F382 Q383 Y384 F389 S390 L399	F252-W386 HydrophobicContact CE2-CB 4.06Å; F252-W386 HydrophobicContact CZ-CB 3.81Å; F252-W386 AromaticContact CZ-CD1 3.95Å; F252-W386 HydrophobicContact CZ-CG 4.32Å; I375-W386 HydrophobicContact CG2-CB 3.83Å; F382-W386 PolarHBondContact O-N 3.38Å; Q383-W386 CarbonylContact O-C 3.51Å; Q383-W386 WeakPolarHBondContact O-CB 3.34Å; Q383-W386 PolarHBondContact O-N 3.13Å; Y384-W386 VanDerWaalsContact C-N 3.31Å; Y384-W386 PolarHBondContact O-N 2.88Å; W386-F389 WeakPolarHBondContact O-CB 3.34Å; W386-F389 PolarHBondContact O-N 2.88Å; W386-S390 WeakPolarHBondContact O-CB 3.43Å; W386-S390 PolarHBondContact O-N 3.06Å; W386-L399 HydrophobicContact CE3-CD2 4.34Å
387	L	97.9	Very high	96.9	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.037	19%	0.186	C	C	.	.	H	α-helix	trans	-62.4	-43.4	176.6	179.1	63.7	0	0	0	111.9	Q383 Y384 F389 S390 R391 T397 T398 L399	Q383-L387 PolarHBondContact O-N 3Å; Y384-L387 HydrophobicContact CD1-CD2 4.16Å; Y384-L387 WeakPolarHBondContact O-CB 3.23Å; Y384-L387 PolarHBondContact O-N 3.16Å; L387-F389 PolarHBondContact O-N 3.36Å; L387-S390 PolarHBondContact O-N 3.42Å; L387-R391 WeakPolarHBondContact O-CB 3.16Å; L387-R391 PolarHBondContact O-N 3.39Å; L387-T397 WeakPolarHBondContact CD2-O 3.46Å; L387-T398 WeakPolarHBondContact CD1-O 3.06Å; L387-L399 HydrophobicContact CB-CD2 3.85Å; L387-L399 HydrophobicContact CD1-CD2 4.47Å; L387-L399 HydrophobicContact CD2-CD2 4.28Å; L387-L399 HydrophobicContact CD2-CG 4.11Å; L387-L399 HydrophobicContact CG-CD2 4.44Å
388	E	97.6	Very high	97	Very high	88 Å²	88	45.1 Å²	45.1	41%	0.411	20%	0.201	S	C	.	.	H	α-helix	trans	-59.9	-37.7	175.8	-67.9	-56.5	127.6	0	0	111.7	Y384 R391	Y384-E388 WeakPolarHBondContact O-CG 3.27Å; Y384-E388 PolarHBondContact O-N 2.8Å; E388-R391 IonicContact OE1-CZ 3.86Å; E388-R391 VanDerWaalsContact OE1-CZ 3.31Å; E388-R391 IonicContact OE1-NH1 2.8Å; E388-R391 PolarHBondContact OE1-NH1 3.33Å; E388-R391 IonicContact OE1-NH2 3.31Å; E388-R391 PolarHBondContact OE1-NH2 2.88Å; E388-R391 IonicContact OE2-CZ 2.82Å; E388-R391 IonicContact OE2-NH1 3.06Å; E388-R391 PolarHBondContact OE2-NH1 3.14Å
389	F	97.8	Very high	96.9	Very high	5 Å²	5	46.4 Å²	46.4	2%	0.022	21%	0.208	C	C	.	.	H	α-helix	trans	-68.2	-50	172.6	171.9	-118.2	0	0	0	112.1	L229 A248 L249 F252 Y372 R385 W386 L387 R391 V392 I393	L229-F389 HydrophobicContact CD2-CE2 3.98Å; L229-F389 HydrophobicContact CD2-CZ 3.73Å; A248-F389 HydrophobicContact CB-CD2 3.91Å; A248-F389 HydrophobicContact CB-CE2 4.33Å; L249-F389 HydrophobicContact CB-CE2 3.87Å; L249-F389 HydrophobicContact CB-CZ 4.35Å; L249-F389 HydrophobicContact CD1-CE2 4.31Å; L249-F389 HydrophobicContact CD1-CZ 4.09Å; F252-F389 HydrophobicContact CB-CB 4.05Å; F252-F389 HydrophobicContact CB-CD2 4.3Å; F252-F389 HydrophobicContact CB-CG 4.16Å; F252-F389 HydrophobicContact CD1-CB 4.2Å; F252-F389 AromaticContact CD1-CD1 3.81Å; F252-F389 HydrophobicContact CD1-CD1 3.81Å; F252-F389 HydrophobicContact CD1-CE1 4.32Å; F252-F389 AromaticContact CD1-CG 3.95Å; F252-F389 HydrophobicContact CD1-CG 3.95Å; F252-F389 HydrophobicContact CD2-CB 4.29Å; F252-F389 HydrophobicContact CE1-CD1 4.09Å; F252-F389 HydrophobicContact CG-CB 3.94Å; F252-F389 HydrophobicContact CG-CD1 4.4Å; F252-F389 HydrophobicContact CG-CG 4.11Å; Y372-F389 HydrophobicContact CE2-CE1 4.33Å; R385-F389 PolarHBondContact O-N 3.37Å; W386-F389 WeakPolarHBondContact O-CB 3.34Å; W386-F389 PolarHBondContact O-N 2.88Å; L387-F389 PolarHBondContact O-N 3.36Å; F389-R391 VanDerWaalsContact C-N 3.28Å; F389-R391 PolarHBondContact O-N 3.48Å; F389-V392 PolarHBondContact O-N 3.28Å; F389-I393 HydrophobicContact CD1-CD1 4.21Å; F389-I393 HydrophobicContact CD2-CG2 4.33Å; F389-I393 HydrophobicContact CE1-CD1 3.61Å; F389-I393 HydrophobicContact CE1-CG1 4.38Å; F389-I393 HydrophobicContact CE2-CD1 4.34Å; F389-I393 HydrophobicContact CE2-CG2 3.78Å; F389-I393 HydrophobicContact CZ-CD1 3.69Å; F389-I393 HydrophobicContact CZ-CG1 4.34Å; F389-I393 HydrophobicContact CZ-CG2 4.15Å; F389-I393 WeakPolarHBondContact O-CG1 3.23Å; F389-I393 PolarHBondContact O-N 2.9Å
390	S	96.8	Very high	96.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-35.3	179.7	-173.3	0	0	0	0	112	W386 L387 V392 I393 Q394 G395 T396	W386-S390 WeakPolarHBondContact O-CB 3.43Å; W386-S390 PolarHBondContact O-N 3.06Å; L387-S390 PolarHBondContact O-N 3.42Å; S390-V392 VanDerWaalsContact C-N 3.26Å; S390-V392 PolarHBondContact O-N 3.37Å; S390-I393 PolarHBondContact O-N 2.83Å; S390-Q394 WeakPolarHBondContact O-CA 3.33Å; S390-Q394 WeakPolarHBondContact O-CB 3.48Å; S390-Q394 PolarHBondContact O-N 3.12Å; S390-Q394 PolarHBondContact OG-OE1 3.26Å; S390-Q394 VanDerWaalsContact OG-OE1 3.05Å; S390-G395 PolarHBondContact O-N 3.33Å; S390-T396 WeakPolarHBondContact CB-OG1 3.1Å; S390-T396 PolarHBondContact OG-OG1 3.35Å
391	R	97.4	Very high	96.7	Very high	89 Å²	89	46.6 Å²	46.6	34%	0.336	22%	0.219	S	C	.	.	H	α-helix	trans	-56.5	-41.3	173.7	-170	-179.2	-63.4	134.6	5.5	112.2	L387 E388 F389 G395 T396 T397	L387-R391 WeakPolarHBondContact O-CB 3.16Å; L387-R391 PolarHBondContact O-N 3.39Å; E388-R391 IonicContact OE1-CZ 3.86Å; E388-R391 VanDerWaalsContact OE1-CZ 3.31Å; E388-R391 IonicContact OE1-NH1 2.8Å; E388-R391 PolarHBondContact OE1-NH1 3.33Å; E388-R391 IonicContact OE1-NH2 3.31Å; E388-R391 PolarHBondContact OE1-NH2 2.88Å; E388-R391 IonicContact OE2-CZ 2.82Å; E388-R391 IonicContact OE2-NH1 3.06Å; E388-R391 PolarHBondContact OE2-NH1 3.14Å; F389-R391 VanDerWaalsContact C-N 3.28Å; F389-R391 PolarHBondContact O-N 3.48Å; R391-G395 VanDerWaalsContact O-CA 3.23Å; R391-G395 WeakPolarHBondContact O-CA 3.41Å; R391-G395 PolarHBondContact O-N 2.8Å; R391-T396 WeakPolarHBondContact CA-O 3.47Å; R391-T396 WeakPolarHBondContact CB-O 3.46Å; R391-T396 WeakPolarHBondContact CG-O 3.45Å; R391-T397 PolarHBondContact NH2-O 2.88Å
392	V	97.7	Very high	96.6	Very high	53 Å²	53	42.7 Å²	42.7	32%	0.321	21%	0.205	S	C	.	.	H	α-helix	trans	-73.3	-40	180	179.6	0	0	0	0	111.6	Y245 A248 F389 S390	Y245-V392 HydrophobicContact CD1-CG1 3.87Å; Y245-V392 HydrophobicContact CE1-CG1 4.23Å; Y245-V392 WeakPolarHBondContact CE1-O 3.43Å; A248-V392 HydrophobicContact CB-CB 3.96Å; A248-V392 HydrophobicContact CB-CG1 3.83Å; A248-V392 HydrophobicContact CB-CG2 4.19Å; F389-V392 PolarHBondContact O-N 3.28Å; S390-V392 VanDerWaalsContact C-N 3.26Å; S390-V392 PolarHBondContact O-N 3.37Å
393	I	95.9	Very high	96.6	Very high	24 Å²	24	44.7 Å²	44.7	12%	0.123	21%	0.213	C	C	.	.	H	α-helix	trans	-93	-18.9	-172.6	61.4	156.2	0	0	0	114.4	L229 Y245 F389 S390	L229-I393 HydrophobicContact CD2-CG2 3.92Å; Y245-I393 HydrophobicContact CD1-CG2 3.99Å; Y245-I393 HydrophobicContact CD2-CG2 4.4Å; Y245-I393 HydrophobicContact CG-CG2 3.91Å; F389-I393 HydrophobicContact CD1-CD1 4.21Å; F389-I393 HydrophobicContact CD2-CG2 4.33Å; F389-I393 HydrophobicContact CE1-CD1 3.61Å; F389-I393 HydrophobicContact CE1-CG1 4.38Å; F389-I393 HydrophobicContact CE2-CD1 4.34Å; F389-I393 HydrophobicContact CE2-CG2 3.78Å; F389-I393 HydrophobicContact CZ-CD1 3.69Å; F389-I393 HydrophobicContact CZ-CG1 4.34Å; F389-I393 HydrophobicContact CZ-CG2 4.15Å; F389-I393 WeakPolarHBondContact O-CG1 3.23Å; F389-I393 PolarHBondContact O-N 2.9Å; S390-I393 PolarHBondContact O-N 2.83Å
394	Q	95.1	Very high	96.6	Very high	45 Å²	45	44.2 Å²	44.2	21%	0.21	21%	0.211	C	C	.	.	H	α-helix	trans	-137.3	-10.2	-171.7	-73.5	177.6	-25	0	0	113.9	P99 S390 T396 E703	P99-Q394 HydrophobicContact CB-CB 4.27Å; S390-Q394 WeakPolarHBondContact O-CA 3.33Å; S390-Q394 WeakPolarHBondContact O-CB 3.48Å; S390-Q394 PolarHBondContact O-N 3.12Å; S390-Q394 PolarHBondContact OG-OE1 3.26Å; S390-Q394 VanDerWaalsContact OG-OE1 3.05Å; Q394-T396 VanDerWaalsContact C-N 3.29Å; Q394-T396 PolarHBondContact O-N 3.16Å; Q394-E703 PolarHBondContact NE2-OE2 2.83Å
395	G	96.2	Very high	96.5	Very high	7 Å²	7	41.6 Å²	41.6	7%	0.072	20%	0.201	C	C	.	.			trans	78.4	3.8	176.9	0	0	0	0	0	115.6	S390 R391 R697 E699	S390-G395 PolarHBondContact O-N 3.33Å; R391-G395 VanDerWaalsContact O-CA 3.23Å; R391-G395 WeakPolarHBondContact O-CA 3.41Å; R391-G395 PolarHBondContact O-N 2.8Å; G395-R697 WeakPolarHBondContact O-CD 3.39Å; G395-R697 PolarHBondContact O-NE 3.19Å; G395-R697 PolarHBondContact O-NH1 2.88Å; G395-R697 VanDerWaalsContact O-NH1 3.15Å; G395-E699 WeakPolarHBondContact CA-OE2 3.31Å
396	T	95.4	Very high	96.6	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.037	18%	0.182	C	C	.	.			trans	-70.4	136.4	177.3	53.3	0	0	0	0	110.7	P99 S390 R391 Q394	P99-T396 HydrophobicContact CB-CG2 4.27Å; S390-T396 WeakPolarHBondContact CB-OG1 3.1Å; S390-T396 PolarHBondContact OG-OG1 3.35Å; R391-T396 WeakPolarHBondContact CA-O 3.47Å; R391-T396 WeakPolarHBondContact CB-O 3.46Å; R391-T396 WeakPolarHBondContact CG-O 3.45Å; Q394-T396 VanDerWaalsContact C-N 3.29Å; Q394-T396 PolarHBondContact O-N 3.16Å
397	T	95.3	Very high	96.6	Very high	47 Å²	47	32.7 Å²	32.7	29%	0.288	17%	0.168	S	C	.	.			trans	-114	-17.2	-174.6	76	0	0	0	0	113.5	E96 L387 R391	E96-T397 WeakPolarHBondContact CB-OG1 3.48Å; E96-T397 PolarHBondContact O-N 3.48Å; E96-T397 WeakPolarHBondContact OE2-CB 2.98Å; E96-T397 VanDerWaalsContact OE2-CG2 3.31Å; E96-T397 WeakPolarHBondContact OE2-CG2 3.37Å; E96-T397 PolarHBondContact OE2-OG1 3.09Å; L387-T397 WeakPolarHBondContact CD2-O 3.46Å; R391-T397 PolarHBondContact NH2-O 2.88Å
398	T	97	Very high	96.5	Very high	64 Å²	64	34.9 Å²	34.9	39%	0.393	18%	0.179	S	C	.	.	S	Bend	trans	-127.2	158.4	176.8	56.3	0	0	0	0	112.9	E96 D97 L387	E96-T398 HydrophobicContact CB-CG2 3.94Å; E96-T398 VanDerWaalsContact CB-OG1 3.3Å; E96-T398 WeakPolarHBondContact CB-OG1 3.1Å; E96-T398 PolarHBondContact O-N 2.03Å; E96-T398 VanDerWaalsContact O-N 3.16Å; E96-T398 PolarHBondContact O-OG1 2.99Å; D97-T398 WeakPolarHBondContact CA-O 3.31Å; D97-T398 PolarHBondContact N-OG1 2.96Å; D97-T398 VanDerWaalsContact N-OG1 3.14Å; L387-T398 WeakPolarHBondContact CD1-O 3.06Å
399	L	95.6	Very high	96.4	Very high	28 Å²	28	31.5 Å²	31.5	15%	0.147	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-75.8	144.3	172.6	-68.5	178.4	0	0	0	110.7	R380 Q383 Y384 W386 L387	R380-L399 HydrophobicContact CG-CD1 4.3Å; Q383-L399 HydrophobicContact CB-CD1 3.84Å; Q383-L399 HydrophobicContact CB-CD2 4.06Å; Y384-L399 HydrophobicContact CD1-CD1 3.97Å; Y384-L399 HydrophobicContact CD1-CG 4.37Å; Y384-L399 HydrophobicContact CE1-CD1 3.82Å; Y384-L399 HydrophobicContact CE1-CG 4.3Å; W386-L399 HydrophobicContact CE3-CD2 4.34Å; L387-L399 HydrophobicContact CB-CD2 3.85Å; L387-L399 HydrophobicContact CD1-CD2 4.47Å; L387-L399 HydrophobicContact CD2-CD2 4.28Å; L387-L399 HydrophobicContact CD2-CG 4.11Å; L387-L399 HydrophobicContact CG-CD2 4.44Å
400	L	93.9	Very high	96.4	Very high	57 Å²	57	31.3 Å²	31.3	30%	0.298	16%	0.162	S	C	.	.	P	Polyproline II helix	trans	-54.9	143.1	167.2	-69.3	168.5	0	0	0	110.9	D97 K405	D97-L400 HydrophobicContact CB-CD2 4.05Å; L400-K405 HydrophobicContact CB-CD 4.39Å; L400-K405 HydrophobicContact CB-CG 3.8Å; L400-K405 HydrophobicContact CD1-CG 4.43Å; L400-K405 WeakPolarHBondContact O-CE 3.35Å; L400-K405 PolarHBondContact O-NZ 3.47Å
401	P	95.6	Very high	96.3	Very high	52 Å²	52	32.2 Å²	32.2	34%	0.338	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-53.2	148.2	170.6	-26	34.4	0	0	0	112.2	D97 W403 D404 K405	D97-P401 WeakPolarHBondContact OD2-CD 3.29Å; P401-W403 VanDerWaalsContact C-N 3.32Å; P401-W403 HydrophobicContact CB-CG 4.45Å; P401-W403 PolarHBondContact O-N 2.75Å; P401-D404 HydrophobicContact CB-CB 4.34Å; P401-D404 PolarHBondContact O-N 3.32Å; P401-D404 VanDerWaalsContact O-N 3.16Å; P401-K405 PolarHBondContact O-N 3.4Å; P401-K405 VanDerWaalsContact O-N 3.12Å
402	Q	96.1	Very high	96.1	Very high	23 Å²	23	31.8 Å²	31.8	11%	0.107	18%	0.177	C	C	.	.	H	α-helix	trans	-59.6	-43.6	-176.8	-173.5	63.4	20.2	0	0	112	C142 M143 E145 D404 K405 C406	C142-Q402 PolarHBondContact O-NE2 3.31Å; M143-Q402 HydrophobicContact SD-CB 4.46Å; M143-Q402 HydrophobicContact SD-CG 4.03Å; E145-Q402 HydrophobicContact CG-CB 4.25Å; E145-Q402 HydrophobicContact CG-CG 3.77Å; Q402-D404 VanDerWaalsContact C-N 3.26Å; Q402-D404 PolarHBondContact O-N 2.94Å; Q402-K405 PolarHBondContact O-N 3.08Å; Q402-C406 PolarHBondContact NE2-SG 3.34Å; Q402-C406 WeakPolarHBondContact O-CB 3.34Å; Q402-C406 PolarHBondContact O-N 3.07Å; Q402-C406 PolarHBondContact O-SG 3Å
403	W	97.9	Very high	95.9	Very high	43 Å²	43	29.5 Å²	29.5	16%	0.163	16%	0.164	C	C	.	.	H	α-helix	trans	-58.2	-40.6	178.8	72.5	-99.7	0	0	0	112	H109 D112 L113 K116 M143 P401 C406 V407	H109-W403 AromaticContact CE1-CH2 3.45Å; H109-W403 VanDerWaalsContact CE1-CH2 3.45Å; H109-W403 WeakPolarHBondContact CE1-CH2 3.36Å; H109-W403 AromaticContact CE1-CZ2 3.6Å; H109-W403 AromaticContact ND1-CH2 3.98Å; D112-W403 HydrophobicContact CB-CZ3 4.16Å; L113-W403 HydrophobicContact CD2-CH2 3.52Å; L113-W403 HydrophobicContact CD2-CZ2 3.79Å; L113-W403 HydrophobicContact CD2-CZ3 4.18Å; L113-W403 HydrophobicContact CG-CH2 3.98Å; K116-W403 HydrophobicContact CB-CE3 4.01Å; K116-W403 HydrophobicContact CB-CZ3 4.3Å; K116-W403 HydrophobicContact CD-CB 4.3Å; K116-W403 HydrophobicContact CD-CD2 3.61Å; K116-W403 HydrophobicContact CD-CE3 3.55Å; K116-W403 HydrophobicContact CD-CG 3.96Å; K116-W403 HydrophobicContact CD-CZ3 4.12Å; K116-W403 HydrophobicContact CG-CD2 4.4Å; K116-W403 HydrophobicContact CG-CE3 4.02Å; M143-W403 HydrophobicContact CE-CB 3.92Å; M143-W403 WeakPolarHBondContact SD-CA 3.17Å; M143-W403 HydrophobicContact SD-CB 3.87Å; P401-W403 VanDerWaalsContact C-N 3.32Å; P401-W403 HydrophobicContact CB-CG 4.45Å; P401-W403 PolarHBondContact O-N 2.75Å; W403-C406 WeakPolarHBondContact O-CB 3.41Å; W403-C406 PolarHBondContact O-N 3.25Å; W403-V407 HydrophobicContact CE3-CG2 4.12Å; W403-V407 HydrophobicContact CZ3-CG2 4.49Å; W403-V407 WeakPolarHBondContact O-CG2 3.38Å; W403-V407 PolarHBondContact O-N 3.43Å
404	D	97.1	Very high	95.9	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-69.6	-44.4	-176.9	-166.8	-4.3	0	0	0	110.4	H109 P401 Q402 C406 V407 N408	H109-D404 IonicContact ND1-OD2 2.77Å; P401-D404 HydrophobicContact CB-CB 4.34Å; P401-D404 PolarHBondContact O-N 3.32Å; P401-D404 VanDerWaalsContact O-N 3.16Å; Q402-D404 VanDerWaalsContact C-N 3.26Å; Q402-D404 PolarHBondContact O-N 2.94Å; D404-C406 VanDerWaalsContact C-N 3.25Å; D404-C406 PolarHBondContact O-N 3.06Å; D404-V407 PolarHBondContact O-N 3.08Å; D404-N408 WeakPolarHBondContact O-CB 3.3Å; D404-N408 PolarHBondContact O-N 3.05Å; D404-N408 PolarHBondContact O-ND2 3.03Å; D404-N408 PolarHBondContact OD1-ND2 3.48Å
405	K	95.8	Very high	95.9	Very high	45 Å²	45	28 Å²	28	20%	0.196	16%	0.16	C	C	.	.	H	α-helix	trans	-56.4	-41.1	170.5	-68.9	174.2	178.9	158.6	0	112.2	L400 P401 Q402 F409	L400-K405 HydrophobicContact CB-CD 4.39Å; L400-K405 HydrophobicContact CB-CG 3.8Å; L400-K405 HydrophobicContact CD1-CG 4.43Å; L400-K405 WeakPolarHBondContact O-CE 3.35Å; L400-K405 PolarHBondContact O-NZ 3.47Å; P401-K405 PolarHBondContact O-N 3.4Å; P401-K405 VanDerWaalsContact O-N 3.12Å; Q402-K405 PolarHBondContact O-N 3.08Å; K405-F409 WeakPolarHBondContact O-CB 3.03Å; K405-F409 PolarHBondContact O-N 3.29Å
406	C	97.9	Very high	95.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-69	-48.5	-180	-64.3	0	0	0	0	111.5	Y139 C142 M143 Q402 W403 D404 N408 F409 I410	Y139-C406 HydrophobicContact CD2-CB 3.74Å; Y139-C406 HydrophobicContact CE2-CB 3.73Å; C142-C406 HydrophobicContact CB-CB 3.75Å; C142-C406 WeakPolarHBondContact CB-SG 3.14Å; C142-C406 PolarHBondContact O-SG 3.29Å; C142-C406 WeakPolarHBondContact SG-CA 3.4Å; C142-C406 WeakPolarHBondContact SG-CB 3.47Å; C142-C406 CovalentContact SG-SG 2.03Å; C142-C406 PolarHBondContact SG-SG 3.04Å; M143-C406 HydrophobicContact SD-CB 4.21Å; Q402-C406 PolarHBondContact NE2-SG 3.34Å; Q402-C406 WeakPolarHBondContact O-CB 3.34Å; Q402-C406 PolarHBondContact O-N 3.07Å; Q402-C406 PolarHBondContact O-SG 3Å; W403-C406 WeakPolarHBondContact O-CB 3.41Å; W403-C406 PolarHBondContact O-N 3.25Å; D404-C406 VanDerWaalsContact C-N 3.25Å; D404-C406 PolarHBondContact O-N 3.06Å; C406-N408 PolarHBondContact O-N 2.91Å; C406-F409 PolarHBondContact O-N 3.23Å; C406-F409 VanDerWaalsContact O-N 3.13Å; C406-I410 HydrophobicContact CB-CD1 4.45Å; C406-I410 WeakPolarHBondContact O-CD1 3.48Å; C406-I410 PolarHBondContact O-N 2.89Å
407	V	98.3	Very high	95.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-54.6	-52.4	175.8	172.7	0	0	0	0	110.6	D112 L115 K116 L119 Y139 W403 D404 F409 I410 E411	D112-V407 HydrophobicContact CB-CG1 3.95Å; L115-V407 HydrophobicContact CB-CG1 3.84Å; L115-V407 HydrophobicContact CD1-CG1 3.96Å; K116-V407 HydrophobicContact CB-CG2 4.05Å; L119-V407 HydrophobicContact CD1-CG2 4.24Å; Y139-V407 HydrophobicContact CE2-CG2 3.95Å; W403-V407 HydrophobicContact CE3-CG2 4.12Å; W403-V407 HydrophobicContact CZ3-CG2 4.49Å; W403-V407 WeakPolarHBondContact O-CG2 3.38Å; W403-V407 PolarHBondContact O-N 3.43Å; D404-V407 PolarHBondContact O-N 3.08Å; V407-F409 VanDerWaalsContact C-N 3.27Å; V407-F409 PolarHBondContact O-N 3.09Å; V407-I410 PolarHBondContact O-N 3.12Å; V407-E411 HydrophobicContact CG1-CG 4.35Å; V407-E411 PolarHBondContact O-N 2.76Å
408	N	96.4	Very high	96	Very high	53 Å²	53	28 Å²	28	28%	0.283	15%	0.152	S	C	.	.	H	α-helix	trans	-56.1	-39.3	177.8	-81.3	-66.4	0	0	0	113.1	D404 C406 S412	D404-N408 WeakPolarHBondContact O-CB 3.3Å; D404-N408 PolarHBondContact O-N 3.05Å; D404-N408 PolarHBondContact O-ND2 3.03Å; D404-N408 PolarHBondContact OD1-ND2 3.48Å; C406-N408 PolarHBondContact O-N 2.91Å; N408-S412 WeakPolarHBondContact O-CB 3.41Å; N408-S412 PolarHBondContact O-N 3.09Å; N408-S412 VanDerWaalsContact O-N 3.15Å; N408-S412 PolarHBondContact O-OG 3.43Å
409	F	96.1	Very high	96	Very high	17 Å²	17	25 Å²	25	8%	0.075	13%	0.134	C	C	.	.	H	α-helix	trans	-67.5	-44.1	176.3	173	-118	0	0	0	112	L138 K405 C406 V407 S412 A413 Y502 V506 T509	L138-F409 HydrophobicContact CD1-CE1 3.71Å; L138-F409 HydrophobicContact CD1-CZ 4.42Å; L138-F409 HydrophobicContact CD2-CE1 3.92Å; L138-F409 HydrophobicContact CD2-CZ 4.46Å; L138-F409 HydrophobicContact CG-CD1 4.44Å; L138-F409 HydrophobicContact CG-CE1 3.87Å; K405-F409 WeakPolarHBondContact O-CB 3.03Å; K405-F409 PolarHBondContact O-N 3.29Å; C406-F409 PolarHBondContact O-N 3.23Å; C406-F409 VanDerWaalsContact O-N 3.13Å; V407-F409 VanDerWaalsContact C-N 3.27Å; V407-F409 PolarHBondContact O-N 3.09Å; F409-S412 PolarHBondContact O-N 3.38Å; F409-A413 HydrophobicContact CE2-CB 4.4Å; F409-A413 HydrophobicContact CZ-CB 4.42Å; F409-A413 WeakPolarHBondContact O-CB 3.29Å; F409-A413 PolarHBondContact O-N 3.15Å; F409-Y502 AromaticContact CD1-CE2 3.82Å; F409-Y502 HydrophobicContact CD1-CE2 3.82Å; F409-Y502 AromaticContact CE1-CE2 3.76Å; F409-Y502 HydrophobicContact CE1-CE2 3.76Å; F409-V506 HydrophobicContact CE1-CG2 4.01Å; F409-V506 HydrophobicContact CE2-CG2 4.14Å; F409-V506 HydrophobicContact CZ-CB 4.29Å; F409-V506 HydrophobicContact CZ-CG2 3.64Å; F409-T509 HydrophobicContact CE2-CG2 4.49Å; F409-T509 HydrophobicContact CZ-CG2 4.49Å
410	I	96	Very high	96	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.6	-42.4	179.5	-77.8	73.2	0	0	0	110.1	L119 A135 L138 Y139 C406 V407 S412 A413 L414 V418	L119-I410 HydrophobicContact CD1-CG2 4.39Å; L119-I410 HydrophobicContact CD2-CG2 4.39Å; A135-I410 HydrophobicContact CB-CG2 4.43Å; L138-I410 HydrophobicContact CB-CG1 4.19Å; L138-I410 HydrophobicContact CD2-CD1 4.47Å; L138-I410 HydrophobicContact CD2-CG1 3.99Å; L138-I410 HydrophobicContact CG-CD1 4.07Å; L138-I410 HydrophobicContact CG-CG1 3.96Å; Y139-I410 HydrophobicContact CD2-CD1 4.27Å; C406-I410 HydrophobicContact CB-CD1 4.45Å; C406-I410 WeakPolarHBondContact O-CD1 3.48Å; C406-I410 PolarHBondContact O-N 2.89Å; V407-I410 PolarHBondContact O-N 3.12Å; I410-S412 VanDerWaalsContact C-N 3.27Å; I410-S412 PolarHBondContact O-N 2.93Å; I410-A413 PolarHBondContact O-N 3.2Å; I410-A413 VanDerWaalsContact O-N 3.08Å; I410-L414 PolarHBondContact O-N 3.13Å; I410-V418 HydrophobicContact CG2-CG1 3.42Å; I410-V418 VanDerWaalsContact CG2-CG1 3.42Å
411	E	95.7	Very high	96.2	Very high	20 Å²	20	22.6 Å²	22.6	9%	0.093	12%	0.12	C	C	.	.	H	α-helix	trans	-57.9	-39.8	174.7	-75.3	-173.3	97	0	0	112.6	L115 V407 P415 V418 T535	L115-E411 HydrophobicContact CD1-CG 3.49Å; L115-E411 VanDerWaalsContact CD1-CG 3.49Å; L115-E411 WeakPolarHBondContact CD1-OE1 3.29Å; V407-E411 HydrophobicContact CG1-CG 4.35Å; V407-E411 PolarHBondContact O-N 2.76Å; E411-P415 VanDerWaalsContact O-CA 3.27Å; E411-P415 WeakPolarHBondContact O-CA 3.48Å; E411-P415 WeakPolarHBondContact O-CB 3.22Å; E411-P415 WeakPolarHBondContact O-CD 3.39Å; E411-V418 HydrophobicContact CB-CG2 4.43Å; E411-V418 HydrophobicContact CG-CG2 3.97Å; E411-T535 WeakPolarHBondContact OE1-CB 3.33Å; E411-T535 PolarHBondContact OE1-OG1 3.25Å
412	S	93.3	Very high	96.3	Very high	80 Å²	80	20.2 Å²	20.2	56%	0.559	10%	0.104	S	C	*	.	H	α-helix	trans	-72.7	-30.6	175.7	-61.7	0	0	0	0	113	N408 F409 I410	N408-S412 WeakPolarHBondContact O-CB 3.41Å; N408-S412 PolarHBondContact O-N 3.09Å; N408-S412 VanDerWaalsContact O-N 3.15Å; N408-S412 PolarHBondContact O-OG 3.43Å; F409-S412 PolarHBondContact O-N 3.38Å; I410-S412 VanDerWaalsContact C-N 3.27Å; I410-S412 PolarHBondContact O-N 2.93Å
413	A	94.1	Very high	96.3	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.033	10%	0.101	C	C	.	.	H	α-helix	trans	-84.9	-41.2	-174.8	0	0	0	0	0	112.9	L138 F409 I410 P415 T509	L138-A413 HydrophobicContact CD2-CB 3.99Å; F409-A413 HydrophobicContact CE2-CB 4.4Å; F409-A413 HydrophobicContact CZ-CB 4.42Å; F409-A413 WeakPolarHBondContact O-CB 3.29Å; F409-A413 PolarHBondContact O-N 3.15Å; I410-A413 PolarHBondContact O-N 3.2Å; I410-A413 VanDerWaalsContact O-N 3.08Å; A413-P415 VanDerWaalsContact C-CD 3.49Å; A413-T509 HydrophobicContact CB-CG2 3.52Å
414	L	95.6	Very high	96.2	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	12%	0.116	C	C	.	.	S	Bend	trans	-135.4	52.9	-170.7	-55	178.4	0	0	0	111.1	A135 L138 I410 Y416 V417 V418 L492 F497	A135-L414 HydrophobicContact CB-CD1 3.91Å; L138-L414 HydrophobicContact CD2-CD1 4.12Å; L138-L414 HydrophobicContact CD2-CG 4.39Å; I410-L414 PolarHBondContact O-N 3.13Å; L414-Y416 VanDerWaalsContact C-N 3.3Å; L414-Y416 PolarHBondContact O-N 3Å; L414-V417 HydrophobicContact CB-CB 4.14Å; L414-V417 HydrophobicContact CB-CG2 4.07Å; L414-V417 PolarHBondContact O-N 3.35Å; L414-V418 PolarHBondContact O-N 3.11Å; L414-L492 HydrophobicContact CD2-CD1 3.94Å; L414-L492 HydrophobicContact CD2-CD2 3.55Å; L414-L492 HydrophobicContact CD2-CG 4.42Å; L414-F497 HydrophobicContact CD1-CE2 4Å; L414-F497 HydrophobicContact CD2-CE2 4.34Å; L414-F497 HydrophobicContact CD2-CZ 4.5Å
415	P	95.1	Very high	96.1	Very high	35 Å²	35	24.9 Å²	24.9	23%	0.227	14%	0.136	C	C	.	.	H	α-helix	trans	-54.8	-42.2	-169.1	19.7	-32.7	0	0	0	113.3	E411 A413 V417 V418 G419 N533	E411-P415 VanDerWaalsContact O-CA 3.27Å; E411-P415 WeakPolarHBondContact O-CA 3.48Å; E411-P415 WeakPolarHBondContact O-CB 3.22Å; E411-P415 WeakPolarHBondContact O-CD 3.39Å; A413-P415 VanDerWaalsContact C-CD 3.49Å; P415-V417 PolarHBondContact O-N 3.35Å; P415-V418 WeakPolarHBondContact O-CG2 3.45Å; P415-G419 WeakPolarHBondContact O-CA 3.41Å; P415-G419 PolarHBondContact O-N 3.05Å; P415-N533 HydrophobicContact CB-CB 3.62Å; P415-N533 PolarHBondContact O-OD1 2.81Å
416	Y	95.4	Very high	96.1	Very high	54 Å²	54	24.8 Å²	24.8	21%	0.212	14%	0.136	C	C	.	.	H	α-helix	trans	-73.5	-26.9	-177.9	-56.7	-54.4	0	0	0	113.7	L414 K420 P479 F481 I482 F531	L414-Y416 VanDerWaalsContact C-N 3.3Å; L414-Y416 PolarHBondContact O-N 3Å; Y416-K420 WeakPolarHBondContact O-CB 3.5Å; Y416-K420 PolarHBondContact O-N 3.05Å; Y416-P479 HydrophobicContact CD1-CG 4.44Å; Y416-P479 HydrophobicContact CE1-CG 4.31Å; Y416-F481 HydrophobicContact CD1-CE2 4.1Å; Y416-F481 AromaticContact CD1-CZ 3.95Å; Y416-F481 HydrophobicContact CD1-CZ 3.95Å; Y416-F481 HydrophobicContact CD2-CE2 4.1Å; Y416-F481 HydrophobicContact CD2-CZ 4.31Å; Y416-F481 HydrophobicContact CE1-CE2 4.37Å; Y416-F481 AromaticContact CE1-CZ 3.79Å; Y416-F481 HydrophobicContact CE1-CZ 3.79Å; Y416-F481 HydrophobicContact CE2-CE2 4.36Å; Y416-F481 HydrophobicContact CE2-CZ 4.15Å; Y416-F481 AromaticContact CG-CE2 3.98Å; Y416-F481 HydrophobicContact CG-CE2 3.98Å; Y416-F481 HydrophobicContact CG-CZ 4.23Å; Y416-F481 AromaticContact CZ-CZ 3.89Å; Y416-I482 HydrophobicContact CD1-CG2 3.84Å; Y416-I482 HydrophobicContact CG-CG2 4.11Å; Y416-F531 WeakPolarHBondContact OH-CA 3.25Å; Y416-F531 VanDerWaalsContact OH-CB 3.25Å; Y416-F531 WeakPolarHBondContact OH-CB 3.26Å
417	V	96.3	Very high	95.9	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.03	14%	0.139	C	C	.	.	H	α-helix	trans	-70.7	-51.4	176.4	-175.9	0	0	0	0	110.1	A131 I132 A135 L414 P415 G419 K420 M421 V488 L492	A131-V417 HydrophobicContact CB-CG1 4.18Å; A131-V417 HydrophobicContact CB-CG2 3.96Å; I132-V417 HydrophobicContact CG1-CG1 4.22Å; A135-V417 HydrophobicContact CB-CG1 3.87Å; L414-V417 HydrophobicContact CB-CB 4.14Å; L414-V417 HydrophobicContact CB-CG2 4.07Å; L414-V417 PolarHBondContact O-N 3.35Å; P415-V417 PolarHBondContact O-N 3.35Å; V417-G419 VanDerWaalsContact C-N 3.3Å; V417-G419 PolarHBondContact O-N 3.42Å; V417-K420 WeakPolarHBondContact O-CB 3.41Å; V417-K420 PolarHBondContact O-N 2.77Å; V417-M421 HydrophobicContact CG1-SD 4.35Å; V417-M421 WeakPolarHBondContact O-CG 3.49Å; V417-M421 PolarHBondContact O-N 2.76Å; V417-V488 HydrophobicContact CG2-CG1 3.82Å; V417-L492 HydrophobicContact CG2-CD1 3.42Å; V417-L492 VanDerWaalsContact CG2-CD1 3.42Å
418	V	96.7	Very high	95.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-70.1	-31.3	177.8	-66.2	0	0	0	0	112.2	L115 L119 I410 E411 L414 P415 M421 F422 T535	L115-V418 HydrophobicContact CD2-CB 4.07Å; L119-V418 HydrophobicContact CD2-CG1 4.42Å; I410-V418 HydrophobicContact CG2-CG1 3.42Å; I410-V418 VanDerWaalsContact CG2-CG1 3.42Å; E411-V418 HydrophobicContact CB-CG2 4.43Å; E411-V418 HydrophobicContact CG-CG2 3.97Å; L414-V418 PolarHBondContact O-N 3.11Å; P415-V418 WeakPolarHBondContact O-CG2 3.45Å; V418-M421 PolarHBondContact O-N 3.39Å; V418-F422 WeakPolarHBondContact O-CB 3.35Å; V418-F422 PolarHBondContact O-N 3.36Å; V418-T535 HydrophobicContact CG2-CG2 4.5Å
419	G	97.1	Very high	95.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-56.1	-49.6	168.4	0	0	0	0	0	112.1	P415 V417 F422 V423	P415-G419 WeakPolarHBondContact O-CA 3.41Å; P415-G419 PolarHBondContact O-N 3.05Å; V417-G419 VanDerWaalsContact C-N 3.3Å; V417-G419 PolarHBondContact O-N 3.42Å; G419-F422 PolarHBondContact O-N 2.97Å; G419-V423 WeakPolarHBondContact O-CB 3.49Å; G419-V423 VanDerWaalsContact O-CG2 3.22Å; G419-V423 WeakPolarHBondContact O-CG2 3.2Å; G419-V423 PolarHBondContact O-N 2.92Å
420	K	96.4	Very high	94.7	Very high	22 Å²	22	36.5 Å²	36.5	10%	0.096	19%	0.193	C	C	.	.	H	α-helix	trans	-58	-51.4	174.1	-179.8	-178.2	177.9	30.9	0	111.2	Y416 V417 F422 V423 D424 I482 M483 D485	Y416-K420 WeakPolarHBondContact O-CB 3.5Å; Y416-K420 PolarHBondContact O-N 3.05Å; V417-K420 WeakPolarHBondContact O-CB 3.41Å; V417-K420 PolarHBondContact O-N 2.77Å; K420-F422 VanDerWaalsContact C-N 3.27Å; K420-F422 PolarHBondContact O-N 3.32Å; K420-V423 PolarHBondContact O-N 3.19Å; K420-D424 WeakPolarHBondContact CE-OD2 3.33Å; K420-D424 WeakPolarHBondContact CG-OD2 3.36Å; K420-D424 IonicContact NZ-OD1 2.69Å; K420-D424 PolarHBondContact NZ-OD1 2.88Å; K420-D424 IonicContact NZ-OD2 3.19Å; K420-D424 PolarHBondContact NZ-OD2 3.29Å; K420-D424 WeakPolarHBondContact O-CB 3.4Å; K420-D424 VanDerWaalsContact O-CG 3.29Å; K420-D424 PolarHBondContact O-N 3.36Å; K420-I482 HydrophobicContact CB-CD1 4.37Å; K420-I482 HydrophobicContact CB-CG1 4.38Å; K420-I482 WeakPolarHBondContact CD-O 3.45Å; K420-M483 HydrophobicContact CG-SD 4.27Å; K420-D485 WeakPolarHBondContact CE-OD1 3.47Å
421	M	97	Very high	94.5	Very high	14 Å²	14	38.3 Å²	38.3	7%	0.069	20%	0.2	C	C	.	.	H	α-helix	trans	-56	-42.4	-179.8	-68.2	172.4	63.6	0	0	112.1	L118 L119 I132 A135 V417 V418	L118-M421 HydrophobicContact CB-CE 3.82Å; L118-M421 HydrophobicContact CD1-CB 4.23Å; L118-M421 WeakPolarHBondContact CD1-O 3.4Å; L119-M421 HydrophobicContact CD2-CE 4.08Å; L119-M421 HydrophobicContact CD2-SD 4.45Å; L119-M421 HydrophobicContact CG-CE 4.46Å; I132-M421 HydrophobicContact CD1-CG 4.15Å; I132-M421 HydrophobicContact CG1-CG 3.91Å; I132-M421 HydrophobicContact CG1-SD 4.16Å; I132-M421 HydrophobicContact CG2-CE 4.32Å; I132-M421 HydrophobicContact CG2-SD 4.08Å; A135-M421 HydrophobicContact CB-SD 4.46Å; V417-M421 HydrophobicContact CG1-SD 4.35Å; V417-M421 WeakPolarHBondContact O-CG 3.49Å; V417-M421 PolarHBondContact O-N 2.76Å; V418-M421 PolarHBondContact O-N 3.39Å
422	F	97.5	Very high	94.3	Very high	1 Å²	1	39 Å²	39	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-67.4	-47.6	178.2	179.8	-91.6	0	0	0	111.9	V111 K114 L115 V418 G419 K420 V425 H426 T535 A552	V111-F422 HydrophobicContact CB-CE2 4.44Å; V111-F422 HydrophobicContact CG1-CD2 4.22Å; V111-F422 HydrophobicContact CG1-CE2 3.89Å; V111-F422 HydrophobicContact CG1-CZ 4.46Å; V111-F422 HydrophobicContact CG2-CE2 4.2Å; V111-F422 HydrophobicContact CG2-CZ 4.25Å; K114-F422 HydrophobicContact CB-CD2 4.46Å; K114-F422 HydrophobicContact CB-CE2 4.27Å; K114-F422 HydrophobicContact CD-CE2 3.88Å; L115-F422 HydrophobicContact CD2-CB 3.97Å; L115-F422 HydrophobicContact CD2-CD2 4.31Å; V418-F422 WeakPolarHBondContact O-CB 3.35Å; V418-F422 PolarHBondContact O-N 3.36Å; G419-F422 PolarHBondContact O-N 2.97Å; K420-F422 VanDerWaalsContact C-N 3.27Å; K420-F422 PolarHBondContact O-N 3.32Å; F422-V425 PolarHBondContact O-N 2.91Å; F422-H426 HydrophobicContact CD2-CB 4.29Å; F422-H426 AromaticContact CD2-CD2 3.89Å; F422-H426 HydrophobicContact CE1-CB 4.24Å; F422-H426 HydrophobicContact CE2-CB 4.01Å; F422-H426 HydrophobicContact CZ-CB 3.98Å; F422-H426 WeakPolarHBondContact O-CB 3.36Å; F422-H426 PolarHBondContact O-N 3.15Å; F422-T535 HydrophobicContact CB-CG2 3.74Å; F422-T535 HydrophobicContact CD1-CG2 4.5Å; F422-T535 HydrophobicContact CG-CG2 4.02Å; F422-A552 HydrophobicContact CD1-CB 4.38Å; F422-A552 HydrophobicContact CE1-CB 4.14Å
423	V	96.7	Very high	94.2	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-64.2	-44.4	-177.2	171	0	0	0	0	111.2	G419 K420 V425 F427 Y478 M483 P534 A552	G419-V423 WeakPolarHBondContact O-CB 3.49Å; G419-V423 VanDerWaalsContact O-CG2 3.22Å; G419-V423 WeakPolarHBondContact O-CG2 3.2Å; G419-V423 PolarHBondContact O-N 2.92Å; K420-V423 PolarHBondContact O-N 3.19Å; V423-V425 PolarHBondContact O-N 2.95Å; V423-F427 HydrophobicContact CB-CB 4.22Å; V423-F427 HydrophobicContact CG1-CB 3.92Å; V423-F427 HydrophobicContact CG1-CD1 4.18Å; V423-F427 HydrophobicContact CG1-CG 4.37Å; V423-F427 HydrophobicContact CG2-CB 4.33Å; V423-F427 PolarHBondContact O-N 2.72Å; V423-Y478 HydrophobicContact CB-CD1 4.24Å; V423-Y478 HydrophobicContact CG1-CD1 3.36Å; V423-Y478 HydrophobicContact CG1-CE1 3.37Å; V423-Y478 HydrophobicContact CG1-CG 3.97Å; V423-Y478 HydrophobicContact CG2-CD1 3.81Å; V423-Y478 HydrophobicContact CG2-CG 4.01Å; V423-M483 HydrophobicContact CB-CE 3.87Å; V423-M483 HydrophobicContact CG1-CE 3.23Å; V423-P534 HydrophobicContact CG2-CB 3.99Å; V423-A552 HydrophobicContact CG2-CB 4.06Å
424	D	95.1	Very high	94.1	Very high	88 Å²	88	42.3 Å²	42.3	47%	0.471	21%	0.209	S	C	.	.	H	α-helix	trans	-56.9	-23.3	-179.8	-74	-15.5	0	0	0	113.1	K420	K420-D424 WeakPolarHBondContact CE-OD2 3.33Å; K420-D424 WeakPolarHBondContact CG-OD2 3.36Å; K420-D424 IonicContact NZ-OD1 2.69Å; K420-D424 PolarHBondContact NZ-OD1 2.88Å; K420-D424 IonicContact NZ-OD2 3.19Å; K420-D424 PolarHBondContact NZ-OD2 3.29Å; K420-D424 WeakPolarHBondContact O-CB 3.4Å; K420-D424 VanDerWaalsContact O-CG 3.29Å; K420-D424 PolarHBondContact O-N 3.36Å
425	V	95.6	Very high	94.2	Very high	74 Å²	74	42.1 Å²	42.1	45%	0.448	21%	0.208	S	C	.	.	H	α-helix	trans	-115.3	-35.8	-174.8	-176.7	0	0	0	0	113.6	L118 F422 V423	L118-V425 HydrophobicContact CD2-CB 4.33Å; L118-V425 HydrophobicContact CD2-CG1 4.38Å; L118-V425 HydrophobicContact CD2-CG2 3.88Å; F422-V425 PolarHBondContact O-N 2.91Å; V423-V425 PolarHBondContact O-N 2.95Å
426	H	95.4	Very high	94.2	Very high	42 Å²	42	46.1 Å²	46.1	19%	0.194	22%	0.224	C	C	.	.	H	α-helix	trans	-118.5	-4.3	-166.5	-61.1	-60.8	0	0	0	114.7	F422	F422-H426 HydrophobicContact CD2-CB 4.29Å; F422-H426 AromaticContact CD2-CD2 3.89Å; F422-H426 HydrophobicContact CE1-CB 4.24Å; F422-H426 HydrophobicContact CE2-CB 4.01Å; F422-H426 HydrophobicContact CZ-CB 3.98Å; F422-H426 WeakPolarHBondContact O-CB 3.36Å; F422-H426 PolarHBondContact O-N 3.15Å
427	F	94	Very high	94.1	Very high	13 Å²	13	46 Å²	46	6%	0.057	23%	0.225	C	C	.	.			trans	-107.7	140.8	177.6	-170.1	-100.9	0	0	0	111	V423 E429 K431 K432 Y478 A552 L555	V423-F427 HydrophobicContact CB-CB 4.22Å; V423-F427 HydrophobicContact CG1-CB 3.92Å; V423-F427 HydrophobicContact CG1-CD1 4.18Å; V423-F427 HydrophobicContact CG1-CG 4.37Å; V423-F427 HydrophobicContact CG2-CB 4.33Å; V423-F427 PolarHBondContact O-N 2.72Å; F427-E429 WeakPolarHBondContact CE1-OE1 3.27Å; F427-K431 HydrophobicContact CD2-CD 4.22Å; F427-K431 HydrophobicContact CE2-CB 4.23Å; F427-K431 HydrophobicContact CE2-CD 3.9Å; F427-K431 HydrophobicContact CZ-CB 4.17Å; F427-K432 HydrophobicContact CE1-CG 4.39Å; F427-K432 HydrophobicContact CZ-CG 4.24Å; F427-Y478 HydrophobicContact CD1-CD1 4.12Å; F427-Y478 AromaticContact CD1-CE1 3.87Å; F427-Y478 HydrophobicContact CD1-CE1 3.87Å; F427-Y478 HydrophobicContact CE1-CD1 4.24Å; F427-Y478 AromaticContact CE1-CE1 3.98Å; F427-Y478 HydrophobicContact CE1-CE1 3.98Å; F427-A552 HydrophobicContact CB-CB 4.41Å; F427-A552 HydrophobicContact CD2-CB 3.48Å; F427-A552 VanDerWaalsContact CD2-CB 3.48Å; F427-A552 HydrophobicContact CE2-CB 3.97Å; F427-A552 HydrophobicContact CG-CB 4.04Å; F427-L555 HydrophobicContact CE2-CB 4.36Å; F427-L555 HydrophobicContact CE2-CD1 3.8Å; F427-L555 HydrophobicContact CZ-CD1 4.28Å
428	Q	91.4	Very high	94.1	Very high	117 Å²	117	45.8 Å²	45.8	55%	0.547	22%	0.224	S	C	.	.			trans	-120.4	135	177.8	-61.4	-63.2	-25.3	0	0	108	D430 K431	Q428-D430 VanDerWaalsContact C-N 3.31Å; Q428-D430 WeakPolarHBondContact CB-OD1 3.29Å; Q428-D430 PolarHBondContact O-N 2.8Å; Q428-K431 WeakPolarHBondContact O-CB 3.31Å; Q428-K431 WeakPolarHBondContact O-CG 3.42Å; Q428-K431 PolarHBondContact O-N 2.77Å
429	E	87.9	Confident	94.2	Very high	89 Å²	89	46 Å²	46	42%	0.416	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-27.9	-171.5	-73.4	-63.4	116.8	0	0	113.3	F427 K431 K432 Y478	F427-E429 WeakPolarHBondContact CE1-OE1 3.27Å; E429-K431 PolarHBondContact O-N 2.81Å; E429-K431 VanDerWaalsContact O-N 3.11Å; E429-K432 VanDerWaalsContact O-CB 3.31Å; E429-K432 WeakPolarHBondContact O-CB 3.42Å; E429-K432 PolarHBondContact O-N 3.33Å; E429-K432 IonicContact OE1-NZ 2.82Å; E429-K432 PolarHBondContact OE1-NZ 3.11Å; E429-K432 WeakPolarHBondContact OE2-CD 3.34Å; E429-K432 VanDerWaalsContact OE2-CE 3.31Å; E429-K432 WeakPolarHBondContact OE2-CE 3.08Å; E429-K432 IonicContact OE2-NZ 3.77Å; E429-K432 PolarHBondContact OE2-NZ 3.35Å; E429-Y478 VanDerWaalsContact OE1-CE1 3.24Å; E429-Y478 WeakPolarHBondContact OE1-CE1 3.43Å; E429-Y478 PolarHBondContact OE1-OH 3.41Å
430	D	86.8	Confident	94.3	Very high	98 Å²	98	51.3 Å²	51.3	52%	0.524	25%	0.25	S	C	.	.	H	α-helix	trans	-57.2	-25.5	176.4	68	-31.6	0	0	0	113.1	Q428 K432 E433	Q428-D430 VanDerWaalsContact C-N 3.31Å; Q428-D430 WeakPolarHBondContact CB-OD1 3.29Å; Q428-D430 PolarHBondContact O-N 2.8Å; D430-K432 PolarHBondContact O-N 3.3Å; D430-E433 PolarHBondContact O-N 3.43Å
431	K	91.6	Very high	94.4	Very high	37 Å²	37	50.9 Å²	50.9	16%	0.161	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-30	173	-62.8	-174.9	178	-176.6	0	112.8	F427 Q428 E429 M435 L555 F560	F427-K431 HydrophobicContact CD2-CD 4.22Å; F427-K431 HydrophobicContact CE2-CB 4.23Å; F427-K431 HydrophobicContact CE2-CD 3.9Å; F427-K431 HydrophobicContact CZ-CB 4.17Å; Q428-K431 WeakPolarHBondContact O-CB 3.31Å; Q428-K431 WeakPolarHBondContact O-CG 3.42Å; Q428-K431 PolarHBondContact O-N 2.77Å; E429-K431 PolarHBondContact O-N 2.81Å; E429-K431 VanDerWaalsContact O-N 3.11Å; K431-M435 WeakPolarHBondContact O-CG 3.46Å; K431-M435 PolarHBondContact O-N 3.01Å; K431-M435 VanDerWaalsContact O-N 3.16Å; K431-L555 HydrophobicContact CD-CB 4.32Å; K431-L555 PolarHBondContact NZ-O 3.04Å; K431-F560 HydrophobicContact CB-CE1 4.22Å; K431-F560 HydrophobicContact CB-CZ 3.93Å; K431-F560 HydrophobicContact CD-CD1 4.46Å; K431-F560 HydrophobicContact CD-CE1 4.23Å; K431-F560 HydrophobicContact CG-CD1 4.48Å; K431-F560 HydrophobicContact CG-CE1 3.78Å; K431-F560 HydrophobicContact CG-CZ 4.02Å
432	K	91.8	Very high	94.4	Very high	35 Å²	35	50.2 Å²	50.2	15%	0.152	25%	0.248	C	C	.	.	H	α-helix	trans	-65.8	-39.8	179.6	-67.5	-179.9	178.4	164.3	0	111.4	F427 E429 D430 M434 M435 E436 V476	F427-K432 HydrophobicContact CE1-CG 4.39Å; F427-K432 HydrophobicContact CZ-CG 4.24Å; E429-K432 VanDerWaalsContact O-CB 3.31Å; E429-K432 WeakPolarHBondContact O-CB 3.42Å; E429-K432 PolarHBondContact O-N 3.33Å; E429-K432 IonicContact OE1-NZ 2.82Å; E429-K432 PolarHBondContact OE1-NZ 3.11Å; E429-K432 WeakPolarHBondContact OE2-CD 3.34Å; E429-K432 VanDerWaalsContact OE2-CE 3.31Å; E429-K432 WeakPolarHBondContact OE2-CE 3.08Å; E429-K432 IonicContact OE2-NZ 3.77Å; E429-K432 PolarHBondContact OE2-NZ 3.35Å; D430-K432 PolarHBondContact O-N 3.3Å; K432-M434 PolarHBondContact O-N 2.96Å; K432-M435 WeakPolarHBondContact O-CB 3.31Å; K432-M435 PolarHBondContact O-N 3.41Å; K432-M435 VanDerWaalsContact O-N 3.16Å; K432-E436 WeakPolarHBondContact O-CG 3.49Å; K432-E436 PolarHBondContact O-N 3.14Å; K432-V476 HydrophobicContact CG-CB 4.44Å; K432-V476 HydrophobicContact CG-CG1 4.09Å
433	E	91.1	Very high	94.5	Very high	145 Å²	145	51.4 Å²	51.4	68%	0.678	25%	0.253	S	S	*	.	H	α-helix	trans	-61.8	-44.6	-179.6	-59.5	-177.7	177.5	0	0	111.9	D430 M435 E436 E437	D430-E433 PolarHBondContact O-N 3.43Å; E433-M435 VanDerWaalsContact C-N 3.34Å; E433-E436 WeakPolarHBondContact O-CB 3.26Å; E433-E436 PolarHBondContact O-N 2.94Å; E433-E437 PolarHBondContact O-N 2.89Å; E433-E437 VanDerWaalsContact O-N 3.09Å
434	M	92.9	Very high	94.6	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.039	27%	0.266	C	S	.	.	H	α-helix	trans	-67.4	-36.4	176.4	177.6	173.6	166.7	0	0	112.2	K432 E436 E437 L438 F560 G562 T563 R567 S570	K432-M434 PolarHBondContact O-N 2.96Å; M434-E436 VanDerWaalsContact C-N 3.34Å; M434-E437 PolarHBondContact O-N 2.91Å; M434-L438 HydrophobicContact CE-CD1 4.27Å; M434-L438 HydrophobicContact CG-CD1 4.31Å; M434-L438 WeakPolarHBondContact O-CG 3.48Å; M434-L438 PolarHBondContact O-N 3.33Å; M434-L438 VanDerWaalsContact O-N 3.07Å; M434-F560 HydrophobicContact CB-CE2 4.18Å; M434-F560 HydrophobicContact CB-CZ 3.94Å; M434-F560 HydrophobicContact CE-CE2 4.18Å; M434-F560 HydrophobicContact CE-CZ 4.32Å; M434-F560 HydrophobicContact CG-CE2 3.99Å; M434-F560 HydrophobicContact CG-CZ 4Å; M434-F560 HydrophobicContact SD-CE1 4.12Å; M434-F560 HydrophobicContact SD-CE2 3.77Å; M434-F560 HydrophobicContact SD-CZ 3.43Å; M434-F560 WeakPolarHBondContact SD-CZ 3.41Å; M434-G562 VanDerWaalsContact SD-C 3.57Å; M434-T563 HydrophobicContact SD-CG2 4.14Å; M434-R567 VanDerWaalsContact CE-NH1 3.35Å; M434-R567 PolarHBondContact SD-NH1 3.11Å; M434-S570 WeakPolarHBondContact CE-OG 3.43Å
435	M	96.3	Very high	94.8	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.6	-41.6	174.1	-75.6	-60.6	-59.2	0	0	111.4	K431 K432 E433 E437 L438 I439 V476 F550 L555 F560 I574 V578	K431-M435 WeakPolarHBondContact O-CG 3.46Å; K431-M435 PolarHBondContact O-N 3.01Å; K431-M435 VanDerWaalsContact O-N 3.16Å; K432-M435 WeakPolarHBondContact O-CB 3.31Å; K432-M435 PolarHBondContact O-N 3.41Å; K432-M435 VanDerWaalsContact O-N 3.16Å; E433-M435 VanDerWaalsContact C-N 3.34Å; M435-E437 PolarHBondContact O-N 3.18Å; M435-L438 PolarHBondContact O-N 3.21Å; M435-L438 HydrophobicContact SD-CD1 4.09Å; M435-I439 HydrophobicContact CB-CD1 4.39Å; M435-I439 HydrophobicContact CE-CD1 4.39Å; M435-I439 WeakPolarHBondContact O-CB 3.28Å; M435-I439 VanDerWaalsContact O-CD1 3.25Å; M435-I439 WeakPolarHBondContact O-CD1 3.39Å; M435-I439 WeakPolarHBondContact O-CG1 3.48Å; M435-I439 PolarHBondContact O-N 3.48Å; M435-V476 HydrophobicContact CB-CG1 3.78Å; M435-V476 HydrophobicContact CB-CG2 3.96Å; M435-V476 HydrophobicContact CG-CG1 3.69Å; M435-F550 HydrophobicContact CE-CB 4.04Å; M435-F550 HydrophobicContact CE-CD1 4.05Å; M435-F550 HydrophobicContact CE-CD2 3.7Å; M435-F550 HydrophobicContact CE-CE2 4.18Å; M435-F550 HydrophobicContact CE-CG 3.63Å; M435-L555 HydrophobicContact CE-CD2 4.31Å; M435-L555 HydrophobicContact CG-CD1 4.41Å; M435-L555 HydrophobicContact CG-CD2 4.12Å; M435-L555 HydrophobicContact SD-CD2 3.74Å; M435-F560 HydrophobicContact CG-CE2 4.08Å; M435-F560 HydrophobicContact SD-CD2 4.15Å; M435-F560 HydrophobicContact SD-CE2 4.13Å; M435-I574 HydrophobicContact CE-CD1 4.25Å; M435-I574 HydrophobicContact CE-CG1 3.97Å; M435-I574 HydrophobicContact SD-CD1 4.21Å; M435-I574 HydrophobicContact SD-CG1 3.48Å; M435-I574 WeakPolarHBondContact SD-CG1 3.37Å; M435-V578 HydrophobicContact CE-CG2 3.58Å
436	E	94.6	Very high	94.9	Very high	120 Å²	120	47.5 Å²	47.5	56%	0.561	22%	0.223	S	C	*	.	H	α-helix	trans	-58.4	-45.3	174.2	-72.1	174	179.9	0	0	111.6	K432 E433 M434 L438 I439 E440	K432-E436 WeakPolarHBondContact O-CG 3.49Å; K432-E436 PolarHBondContact O-N 3.14Å; E433-E436 WeakPolarHBondContact O-CB 3.26Å; E433-E436 PolarHBondContact O-N 2.94Å; M434-E436 VanDerWaalsContact C-N 3.34Å; E436-L438 PolarHBondContact O-N 2.81Å; E436-I439 PolarHBondContact O-N 2.91Å; E436-E440 WeakPolarHBondContact O-CG 3.13Å; E436-E440 PolarHBondContact O-N 3.09Å
437	E	94.4	Very high	95.1	Very high	50 Å²	50	46.6 Å²	46.6	23%	0.234	22%	0.219	C	C	.	.	H	α-helix	trans	-56.6	-48.2	174.5	-174.3	-172.7	91.6	0	0	111.8	E433 M434 M435 E440 G441 Y571 W660	E433-E437 PolarHBondContact O-N 2.89Å; E433-E437 VanDerWaalsContact O-N 3.09Å; M434-E437 PolarHBondContact O-N 2.91Å; M435-E437 PolarHBondContact O-N 3.18Å; E437-E440 PolarHBondContact O-N 2.98Å; E437-G441 PolarHBondContact O-N 3.14Å; E437-Y571 PolarHBondContact OE1-OH 2.91Å; E437-W660 VanDerWaalsContact OE1-CD1 3.23Å; E437-W660 PolarHBondContact OE1-NE1 2.87Å; E437-W660 VanDerWaalsContact OE1-NE1 3.11Å; E437-W660 PolarHBondContact OE2-NE1 3.24Å
438	L	97.1	Very high	95.3	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-63.1	-43.2	-179.9	-69.9	167.3	0	0	0	111.8	M434 M435 E436 G441 V442 Y571 I574 V578	M434-L438 HydrophobicContact CE-CD1 4.27Å; M434-L438 HydrophobicContact CG-CD1 4.31Å; M434-L438 WeakPolarHBondContact O-CG 3.48Å; M434-L438 PolarHBondContact O-N 3.33Å; M434-L438 VanDerWaalsContact O-N 3.07Å; M435-L438 PolarHBondContact O-N 3.21Å; M435-L438 HydrophobicContact SD-CD1 4.09Å; E436-L438 PolarHBondContact O-N 2.81Å; L438-G441 PolarHBondContact O-N 3.04Å; L438-V442 WeakPolarHBondContact O-CB 3.43Å; L438-V442 WeakPolarHBondContact O-CG2 3.35Å; L438-V442 PolarHBondContact O-N 2.95Å; L438-Y571 HydrophobicContact CD2-CD1 3.73Å; L438-Y571 HydrophobicContact CD2-CD2 4.09Å; L438-Y571 HydrophobicContact CD2-CE1 3.61Å; L438-Y571 HydrophobicContact CD2-CE2 3.97Å; L438-Y571 HydrophobicContact CD2-CG 3.97Å; L438-I574 HydrophobicContact CD1-CG2 3.56Å; L438-V578 HydrophobicContact CB-CG2 4.5Å
439	I	98.1	Very high	95.5	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-64	-47.3	179.3	-71.2	156.8	0	0	0	110.8	M435 E436 G441 V442 R443 A474 V476 I548 F550 V578	M435-I439 HydrophobicContact CB-CD1 4.39Å; M435-I439 HydrophobicContact CE-CD1 4.39Å; M435-I439 WeakPolarHBondContact O-CB 3.28Å; M435-I439 VanDerWaalsContact O-CD1 3.25Å; M435-I439 WeakPolarHBondContact O-CD1 3.39Å; M435-I439 WeakPolarHBondContact O-CG1 3.48Å; M435-I439 PolarHBondContact O-N 3.48Å; E436-I439 PolarHBondContact O-N 2.91Å; I439-G441 VanDerWaalsContact C-N 3.35Å; I439-V442 PolarHBondContact O-N 2.89Å; I439-R443 VanDerWaalsContact O-CB 3.28Å; I439-R443 WeakPolarHBondContact O-CB 3.21Å; I439-R443 PolarHBondContact O-N 2.78Å; I439-A474 HydrophobicContact CD1-CB 3.41Å; I439-A474 VanDerWaalsContact CD1-CB 3.41Å; I439-A474 HydrophobicContact CG1-CB 4.19Å; I439-A474 HydrophobicContact CG2-CB 3.94Å; I439-V476 HydrophobicContact CD1-CG2 4.02Å; I439-I548 HydrophobicContact CG1-CD1 4.34Å; I439-I548 HydrophobicContact CG2-CD1 4.35Å; I439-F550 HydrophobicContact CD1-CE2 4.29Å; I439-F550 HydrophobicContact CG1-CE2 4.44Å; I439-V578 HydrophobicContact CB-CG1 4.36Å; I439-V578 HydrophobicContact CG1-CG1 3.75Å; I439-V578 HydrophobicContact CG1-CG2 4.3Å
440	E	98.2	Very high	96	Very high	112 Å²	112	36.9 Å²	36.9	52%	0.523	17%	0.174	S	C	.	.	H	α-helix	trans	-64.9	-40.3	176.9	-68.3	-51.7	138.6	0	0	111.7	E436 E437 R443 W444	E436-E440 WeakPolarHBondContact O-CG 3.13Å; E436-E440 PolarHBondContact O-N 3.09Å; E437-E440 PolarHBondContact O-N 2.98Å; E440-R443 PolarHBondContact O-N 3.1Å; E440-R443 IonicContact OE1-CZ 3.8Å; E440-R443 IonicContact OE1-NH1 2.83Å; E440-R443 PolarHBondContact OE1-NH1 3.12Å; E440-R443 IonicContact OE1-NH2 3.42Å; E440-R443 IonicContact OE2-CZ 3.51Å; E440-R443 IonicContact OE2-NH1 3.57Å; E440-R443 PolarHBondContact OE2-NH1 2.95Å; E440-W444 WeakPolarHBondContact O-CB 3.42Å; E440-W444 PolarHBondContact O-N 3.12Å
441	G	98.4	Very high	96.4	Very high	13 Å²	13	36.5 Å²	36.5	13%	0.134	17%	0.169	C	C	.	.	H	α-helix	trans	-60.9	-47.4	176.3	0	0	0	0	0	112.7	E437 L438 I439 W444 A445 A656	E437-G441 PolarHBondContact O-N 3.14Å; L438-G441 PolarHBondContact O-N 3.04Å; I439-G441 VanDerWaalsContact C-N 3.35Å; G441-W444 PolarHBondContact O-N 3.27Å; G441-A445 WeakPolarHBondContact O-CB 3.1Å; G441-A445 PolarHBondContact O-N 3.01Å; G441-A656 VanDerWaalsContact C-CB 3.47Å; G441-A656 WeakPolarHBondContact O-CB 3.48Å
442	V	98.7	Very high	96.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-45.6	176.7	163.6	0	0	0	0	111.3	L438 I439 W444 A445 F446 V578 F582 E652	L438-V442 WeakPolarHBondContact O-CB 3.43Å; L438-V442 WeakPolarHBondContact O-CG2 3.35Å; L438-V442 PolarHBondContact O-N 2.95Å; I439-V442 PolarHBondContact O-N 2.89Å; V442-W444 VanDerWaalsContact C-N 3.28Å; V442-W444 PolarHBondContact O-N 3.06Å; V442-A445 WeakPolarHBondContact O-CB 3.28Å; V442-A445 PolarHBondContact O-N 3.14Å; V442-F446 PolarHBondContact O-N 2.98Å; V442-V578 HydrophobicContact CB-CG1 3.96Å; V442-V578 HydrophobicContact CG1-CG1 4.11Å; V442-V578 HydrophobicContact CG2-CB 4.34Å; V442-V578 HydrophobicContact CG2-CG1 3.94Å; V442-F582 HydrophobicContact CG1-CB 4Å; V442-F582 HydrophobicContact CG1-CG 4.17Å; V442-E652 HydrophobicContact CG1-CB 4.21Å; V442-E652 WeakPolarHBondContact CG1-OE2 3.36Å
443	R	98.7	Very high	96.7	Very high	26 Å²	26	43.1 Å²	43.1	10%	0.098	20%	0.199	C	C	.	.	H	α-helix	trans	-58.2	-43.9	176.6	-176.8	-175.6	-64.3	106.8	-5.5	111	I439 E440 I447 A469 V472 F582	I439-R443 VanDerWaalsContact O-CB 3.28Å; I439-R443 WeakPolarHBondContact O-CB 3.21Å; I439-R443 PolarHBondContact O-N 2.78Å; E440-R443 PolarHBondContact O-N 3.1Å; E440-R443 IonicContact OE1-CZ 3.8Å; E440-R443 IonicContact OE1-NH1 2.83Å; E440-R443 PolarHBondContact OE1-NH1 3.12Å; E440-R443 IonicContact OE1-NH2 3.42Å; E440-R443 IonicContact OE2-CZ 3.51Å; E440-R443 IonicContact OE2-NH1 3.57Å; E440-R443 PolarHBondContact OE2-NH1 2.95Å; R443-I447 HydrophobicContact CG-CD1 4.14Å; R443-I447 WeakPolarHBondContact O-CG1 3.34Å; R443-I447 PolarHBondContact O-N 3.39Å; R443-I447 VanDerWaalsContact O-N 3.16Å; R443-A469 PolarHBondContact NE-O 3.23Å; R443-V472 PolarHBondContact NH2-O 3.07Å; R443-V472 VanDerWaalsContact NH2-O 3.07Å; R443-F582 HydrophobicContact CB-CE2 3.98Å; R443-F582 HydrophobicContact CB-CZ 4.15Å; R443-F582 HydrophobicContact CG-CE2 3.98Å; R443-F582 HydrophobicContact CG-CZ 3.87Å
444	W	98.6	Very high	96.9	Very high	86 Å²	86	36.4 Å²	36.4	33%	0.326	17%	0.168	S	C	.	.	H	α-helix	trans	-60	-47.8	173.7	170.3	86.2	0	0	0	111.1	E440 G441 V442 F446 I447 D448 R655 K659	E440-W444 WeakPolarHBondContact O-CB 3.42Å; E440-W444 PolarHBondContact O-N 3.12Å; G441-W444 PolarHBondContact O-N 3.27Å; V442-W444 VanDerWaalsContact C-N 3.28Å; V442-W444 PolarHBondContact O-N 3.06Å; W444-F446 PolarHBondContact O-N 2.71Å; W444-I447 PolarHBondContact O-N 3.44Å; W444-D448 HydrophobicContact CD2-CB 4.39Å; W444-D448 HydrophobicContact CH2-CB 4.22Å; W444-D448 HydrophobicContact CZ2-CB 3.89Å; W444-D448 WeakPolarHBondContact O-CB 3.32Å; W444-D448 PolarHBondContact O-N 3.41Å; W444-R655 HydrophobicContact CH2-CG 4.38Å; W444-R655 HydrophobicContact CZ3-CG 3.98Å; W444-K659 HydrophobicContact CD2-CD 3.31Å; W444-K659 VanDerWaalsContact CE2-CD 3.49Å; W444-K659 HydrophobicContact CE3-CB 4.22Å; W444-K659 HydrophobicContact CE3-CD 3.26Å; W444-K659 HydrophobicContact CE3-CG 4.36Å; W444-K659 HydrophobicContact CG-CD 4.06Å; W444-K659 HydrophobicContact CH2-CB 4.03Å; W444-K659 HydrophobicContact CH2-CD 3.64Å; W444-K659 HydrophobicContact CH2-CG 4.33Å; W444-K659 HydrophobicContact CZ2-CD 3.67Å; W444-K659 HydrophobicContact CZ3-CB 3.68Å; W444-K659 HydrophobicContact CZ3-CD 3.43Å; W444-K659 VanDerWaalsContact CZ3-CD 3.43Å; W444-K659 HydrophobicContact CZ3-CG 4.16Å
445	A	98.7	Very high	97	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-44.6	-177.4	0	0	0	0	0	112.1	G441 V442 D448 M449 E652 R655 A656	G441-A445 WeakPolarHBondContact O-CB 3.1Å; G441-A445 PolarHBondContact O-N 3.01Å; V442-A445 WeakPolarHBondContact O-CB 3.28Å; V442-A445 PolarHBondContact O-N 3.14Å; A445-D448 PolarHBondContact O-N 2.76Å; A445-M449 WeakPolarHBondContact O-CB 3.44Å; A445-M449 VanDerWaalsContact O-CG 3.26Å; A445-M449 WeakPolarHBondContact O-CG 3.29Å; A445-M449 PolarHBondContact O-N 3.12Å; A445-E652 HydrophobicContact CB-CB 4.36Å; A445-E652 WeakPolarHBondContact CB-O 3.48Å; A445-R655 HydrophobicContact CB-CB 4.03Å; A445-R655 HydrophobicContact CB-CG 4.37Å; A445-A656 HydrophobicContact CB-CB 4.25Å
446	F	98.6	Very high	97	Very high	2 Å²	2	46 Å²	46	1%	0.009	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-48.1	175.2	179.2	-91.5	0	0	0	111.9	V442 W444 D448 M449 L450 A469 F582 F586 E652 W749	V442-F446 PolarHBondContact O-N 2.98Å; W444-F446 PolarHBondContact O-N 2.71Å; F446-D448 VanDerWaalsContact C-N 3.34Å; F446-D448 PolarHBondContact O-N 2.74Å; F446-M449 PolarHBondContact O-N 3.23Å; F446-L450 HydrophobicContact CE1-CD2 4.13Å; F446-L450 VanDerWaalsContact O-CB 3.28Å; F446-L450 WeakPolarHBondContact O-CB 3.2Å; F446-L450 PolarHBondContact O-N 3.37Å; F446-A469 HydrophobicContact CD1-CB 3.91Å; F446-A469 HydrophobicContact CE1-CB 4.02Å; F446-F582 HydrophobicContact CB-CD1 4.08Å; F446-F582 HydrophobicContact CB-CE1 3.69Å; F446-F582 AromaticContact CD1-CE1 3.69Å; F446-F582 HydrophobicContact CD1-CE1 3.69Å; F446-F582 HydrophobicContact CD2-CD1 4.24Å; F446-F582 HydrophobicContact CD2-CE1 4.15Å; F446-F582 HydrophobicContact CE1-CE1 4.36Å; F446-F582 HydrophobicContact CG-CD1 4.04Å; F446-F582 AromaticContact CG-CE1 3.56Å; F446-F582 HydrophobicContact CG-CE1 3.56Å; F446-F586 HydrophobicContact CD1-CE2 4.43Å; F446-F586 HydrophobicContact CE1-CD1 4.37Å; F446-F586 HydrophobicContact CE1-CD2 4.09Å; F446-F586 HydrophobicContact CE1-CE1 4.06Å; F446-F586 AromaticContact CE1-CE2 3.77Å; F446-F586 HydrophobicContact CE1-CE2 3.77Å; F446-F586 HydrophobicContact CE1-CG 4.38Å; F446-F586 AromaticContact CE1-CZ 3.75Å; F446-F586 HydrophobicContact CE1-CZ 3.75Å; F446-F586 HydrophobicContact CE2-CB 4.43Å; F446-F586 AromaticContact CE2-CD2 3.77Å; F446-F586 HydrophobicContact CE2-CD2 3.77Å; F446-F586 HydrophobicContact CE2-CE2 4.2Å; F446-F586 HydrophobicContact CE2-CG 4.06Å; F446-F586 HydrophobicContact CZ-CB 4.24Å; F446-F586 AromaticContact CZ-CD1 3.8Å; F446-F586 HydrophobicContact CZ-CD1 3.8Å; F446-F586 AromaticContact CZ-CD2 3.45Å; F446-F586 HydrophobicContact CZ-CD2 3.45Å; F446-F586 VanDerWaalsContact CZ-CD2 3.45Å; F446-F586 AromaticContact CZ-CE1 3.96Å; F446-F586 HydrophobicContact CZ-CE1 3.96Å; F446-F586 AromaticContact CZ-CE2 3.64Å; F446-F586 HydrophobicContact CZ-CE2 3.64Å; F446-F586 AromaticContact CZ-CG 3.54Å; F446-F586 HydrophobicContact CZ-CG 3.54Å; F446-F586 AromaticContact CZ-CZ 3.89Å; F446-F586 HydrophobicContact CZ-CZ 3.89Å; F446-E652 HydrophobicContact CB-CG 4.32Å; F446-E652 WeakPolarHBondContact CD2-OE1 3.43Å; F446-W749 AromaticContact CE2-CD2 3.92Å; F446-W749 HydrophobicContact CE2-CD2 3.92Å; F446-W749 AromaticContact CE2-CE3 3.82Å; F446-W749 HydrophobicContact CE2-CE3 3.82Å; F446-W749 HydrophobicContact CE2-CG 4.27Å; F446-W749 HydrophobicContact CE2-CZ3 4.36Å; F446-W749 HydrophobicContact CZ-CD2 4.48Å; F446-W749 HydrophobicContact CZ-CE3 4.05Å; F446-W749 HydrophobicContact CZ-CZ3 4.13Å
447	I	98.6	Very high	97.1	Very high	22 Å²	22	40.7 Å²	40.7	11%	0.113	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-42.1	179.4	-68.8	171.4	0	0	0	110.7	R443 W444 L450 E451 K466 A469 R470	R443-I447 HydrophobicContact CG-CD1 4.14Å; R443-I447 WeakPolarHBondContact O-CG1 3.34Å; R443-I447 PolarHBondContact O-N 3.39Å; R443-I447 VanDerWaalsContact O-N 3.16Å; W444-I447 PolarHBondContact O-N 3.44Å; I447-L450 PolarHBondContact O-N 3.46Å; I447-E451 WeakPolarHBondContact O-CG 3.15Å; I447-E451 PolarHBondContact O-N 2.68Å; I447-K466 HydrophobicContact CG2-CD 4.01Å; I447-K466 HydrophobicContact CG2-CG 4.23Å; I447-A469 HydrophobicContact CD1-CB 4.31Å; I447-A469 HydrophobicContact CG1-CB 4.07Å; I447-R470 HydrophobicContact CD1-CG 3.94Å
448	D	98.3	Very high	97.2	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.064	19%	0.188	C	C	.	.	H	α-helix	trans	-65.2	-43.4	179.9	-169	71.5	0	0	0	111.6	W444 A445 F446 E451 K452 R655	W444-D448 HydrophobicContact CD2-CB 4.39Å; W444-D448 HydrophobicContact CH2-CB 4.22Å; W444-D448 HydrophobicContact CZ2-CB 3.89Å; W444-D448 WeakPolarHBondContact O-CB 3.32Å; W444-D448 PolarHBondContact O-N 3.41Å; A445-D448 PolarHBondContact O-N 2.76Å; F446-D448 VanDerWaalsContact C-N 3.34Å; F446-D448 PolarHBondContact O-N 2.74Å; D448-E451 PolarHBondContact O-N 3.34Å; D448-K452 WeakPolarHBondContact O-CB 3.41Å; D448-K452 PolarHBondContact O-N 3.08Å; D448-K452 WeakPolarHBondContact OD1-CD 3.36Å; D448-K452 WeakPolarHBondContact OD1-CE 3.35Å; D448-K452 IonicContact OD1-NZ 3.74Å; D448-K452 PolarHBondContact OD1-NZ 3.4Å; D448-K452 IonicContact OD2-NZ 2.81Å; D448-R655 IonicContact OD2-CZ 3.7Å; D448-R655 IonicContact OD2-NE 3.21Å; D448-R655 PolarHBondContact OD2-NE 3.39Å; D448-R655 IonicContact OD2-NH2 2.91Å; D448-R655 PolarHBondContact OD2-NH2 2.77Å
449	M	97.4	Very high	97.2	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.015	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-44.3	173.2	-75.1	162.8	43.1	0	0	111.8	A445 F446 E451 E453 N454 R651 E652 W749	A445-M449 WeakPolarHBondContact O-CB 3.44Å; A445-M449 VanDerWaalsContact O-CG 3.26Å; A445-M449 WeakPolarHBondContact O-CG 3.29Å; A445-M449 PolarHBondContact O-N 3.12Å; F446-M449 PolarHBondContact O-N 3.23Å; M449-E451 VanDerWaalsContact C-N 3.28Å; M449-E451 PolarHBondContact O-N 3.1Å; M449-E453 PolarHBondContact O-N 2.65Å; M449-N454 PolarHBondContact O-N 3.13Å; M449-R651 HydrophobicContact CE-CB 4.19Å; M449-R651 HydrophobicContact SD-CB 4.43Å; M449-E652 HydrophobicContact CE-CG 4.16Å; M449-E652 HydrophobicContact SD-CG 4.18Å; M449-W749 HydrophobicContact CE-CB 4.23Å; M449-W749 WeakPolarHBondContact CE-OXT 3.14Å
450	L	96.8	Very high	97.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-34.3	178.1	-178.1	62.6	0	0	0	112.7	F446 I447 N454 M457 K462 A465 K466 W749	F446-L450 HydrophobicContact CE1-CD2 4.13Å; F446-L450 VanDerWaalsContact O-CB 3.28Å; F446-L450 WeakPolarHBondContact O-CB 3.2Å; F446-L450 PolarHBondContact O-N 3.37Å; I447-L450 PolarHBondContact O-N 3.46Å; L450-N454 HydrophobicContact CD1-CB 4.12Å; L450-N454 WeakPolarHBondContact O-CB 3.25Å; L450-M457 HydrophobicContact CD1-CE 4.26Å; L450-M457 HydrophobicContact CD1-SD 3.55Å; L450-M457 VanDerWaalsContact CD1-SD 3.55Å; L450-K462 HydrophobicContact CD1-CG 3.96Å; L450-K462 HydrophobicContact CG-CG 4.32Å; L450-K462 WeakPolarHBondContact O-CE 3.35Å; L450-A465 HydrophobicContact CD2-CB 3.68Å; L450-K466 HydrophobicContact CD2-CG 3.65Å; L450-W749 HydrophobicContact CD1-CZ3 4.28Å
451	E	96	Very high	97.2	Very high	90 Å²	90	39.9 Å²	39.9	42%	0.421	20%	0.204	S	C	.	.	H	α-helix	trans	-80.8	-45.3	179.2	-72.9	-177.2	163.3	0	0	112.7	I447 D448 M449 K466	I447-E451 WeakPolarHBondContact O-CG 3.15Å; I447-E451 PolarHBondContact O-N 2.68Å; D448-E451 PolarHBondContact O-N 3.34Å; M449-E451 VanDerWaalsContact C-N 3.28Å; M449-E451 PolarHBondContact O-N 3.1Å; E451-K466 HydrophobicContact CG-CD 3.81Å; E451-K466 WeakPolarHBondContact OE1-CD 3.5Å; E451-K466 WeakPolarHBondContact OE1-CE 3.4Å; E451-K466 IonicContact OE1-NZ 3.01Å; E451-K466 PolarHBondContact OE1-NZ 3.12Å
452	K	95.3	Very high	97.1	Very high	142 Å²	142	41.4 Å²	41.4	62%	0.617	21%	0.207	S	C	*	.	H	α-helix	trans	-96.3	-26.4	-167.4	-66.9	179	177.8	160.3	0	115	D448	D448-K452 WeakPolarHBondContact O-CB 3.41Å; D448-K452 PolarHBondContact O-N 3.08Å; D448-K452 WeakPolarHBondContact OD1-CD 3.36Å; D448-K452 WeakPolarHBondContact OD1-CE 3.35Å; D448-K452 IonicContact OD1-NZ 3.74Å; D448-K452 PolarHBondContact OD1-NZ 3.4Å; D448-K452 IonicContact OD2-NZ 2.81Å
453	E	94.5	Very high	97.1	Very high	69 Å²	69	48.1 Å²	48.1	32%	0.322	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-23.3	-166.9	-67	170.2	-155.5	0	0	113.3	M449 E455 R655 R747	M449-E453 PolarHBondContact O-N 2.65Å; E453-E455 PolarHBondContact O-N 3.32Å; E453-E455 VanDerWaalsContact O-N 3.16Å; E453-R655 VanDerWaalsContact CD-NH1 3.25Å; E453-R655 IonicContact OE1-CZ 3.39Å; E453-R655 IonicContact OE1-NH1 2.77Å; E453-R655 PolarHBondContact OE1-NH1 3.47Å; E453-R655 IonicContact OE1-NH2 3.3Å; E453-R655 PolarHBondContact OE1-NH2 2.81Å; E453-R655 IonicContact OE2-NH1 3.42Å; E453-R655 PolarHBondContact OE2-NH1 3.44Å; E453-R747 IonicContact OE2-CZ 3.77Å; E453-R747 IonicContact OE2-NH1 2.76Å; E453-R747 IonicContact OE2-NH2 2.98Å; E453-R747 PolarHBondContact OE2-NH2 3.31Å
454	N	95.5	Very high	97.1	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.021	25%	0.246	C	C	.	.			trans	-74.7	104.9	176.3	-175.5	-66.6	0	0	0	110.2	M449 L450 W456 M457 K462	M449-N454 PolarHBondContact O-N 3.13Å; L450-N454 HydrophobicContact CD1-CB 4.12Å; L450-N454 WeakPolarHBondContact O-CB 3.25Å; N454-W456 VanDerWaalsContact ND2-CZ2 3.31Å; N454-W456 WeakPolarHBondContact ND2-CZ2 3.21Å; N454-W456 PolarHBondContact ND2-NE1 2.95Å; N454-M457 VanDerWaalsContact OD1-CB 3.27Å; N454-M457 WeakPolarHBondContact OD1-CB 3.27Å; N454-M457 VanDerWaalsContact OD1-CG 3.29Å; N454-M457 WeakPolarHBondContact OD1-CG 3.04Å; N454-M457 PolarHBondContact OD1-N 3.3Å; N454-M457 VanDerWaalsContact OD1-N 3.12Å; N454-K462 WeakPolarHBondContact O-CE 3.3Å; N454-K462 PolarHBondContact O-NZ 3.18Å
455	E	94.7	Very high	97.1	Very high	182 Å²	182	47 Å²	47	85%	0.85	23%	0.231	S	C	*	.			trans	-98	-7	179.2	-64.8	-179.8	167.6	0	0	113.7	E453	E453-E455 PolarHBondContact O-N 3.32Å; E453-E455 VanDerWaalsContact O-N 3.16Å
456	W	95.9	Very high	97	Very high	26 Å²	26	49.3 Å²	49.3	10%	0.098	24%	0.241	C	C	.	.	S	Bend	trans	-97.9	-9.8	-168.6	63	-93.2	0	0	0	114.2	N454 W603 K610 F611 K614 L748 W749	N454-W456 VanDerWaalsContact ND2-CZ2 3.31Å; N454-W456 WeakPolarHBondContact ND2-CZ2 3.21Å; N454-W456 PolarHBondContact ND2-NE1 2.95Å; W456-W603 AromaticContact CH2-CH2 3.71Å; W456-W603 HydrophobicContact CH2-CH2 3.71Å; W456-W603 AromaticContact CH2-CZ3 3.61Å; W456-W603 HydrophobicContact CH2-CZ3 3.61Å; W456-W603 HydrophobicContact CZ3-CH2 4.19Å; W456-W603 AromaticContact CZ3-CZ3 3.6Å; W456-W603 HydrophobicContact CZ3-CZ3 3.6Å; W456-K610 HydrophobicContact CB-CB 4.33Å; W456-K610 HydrophobicContact CE3-CB 3.94Å; W456-F611 HydrophobicContact CH2-CB 4.33Å; W456-F611 AromaticContact CH2-CD2 3.87Å; W456-F611 HydrophobicContact CH2-CD2 3.87Å; W456-F611 HydrophobicContact CZ3-CB 3.96Å; W456-F611 HydrophobicContact CZ3-CD2 4.36Å; W456-K614 HydrophobicContact CB-CD 4.08Å; W456-K614 VanDerWaalsContact CB-CE 3.43Å; W456-K614 HydrophobicContact CD2-CD 3.9Å; W456-K614 HydrophobicContact CG-CD 3.54Å; W456-L748 HydrophobicContact CH2-CD1 4.2Å; W456-L748 HydrophobicContact CZ2-CD1 3.72Å; W456-L748 HydrophobicContact CZ2-CG 4.34Å; W456-L748 PolarHBondContact NE1-O 3.26Å; W456-W749 AromaticContact CH2-CH2 3.89Å; W456-W749 HydrophobicContact CH2-CH2 3.89Å; W456-W749 HydrophobicContact CH2-CZ2 4.45Å; W456-W749 HydrophobicContact CH2-CZ3 4.21Å; W456-W749 HydrophobicContact CZ2-CE3 4.31Å; W456-W749 AromaticContact CZ2-CH2 3.94Å; W456-W749 HydrophobicContact CZ2-CH2 3.94Å; W456-W749 HydrophobicContact CZ2-CZ2 4.45Å; W456-W749 AromaticContact CZ2-CZ3 3.86Å; W456-W749 HydrophobicContact CZ2-CZ3 3.86Å
457	M	96.7	Very high	97	Very high	10 Å²	10	52.8 Å²	52.8	5%	0.049	26%	0.257	C	S	.	.	S	Bend	trans	-100.4	139.1	174.1	-64.3	173.6	72.7	0	0	111.7	L450 N454 T461 K462 A465 W603 S607 W749	L450-M457 HydrophobicContact CD1-CE 4.26Å; L450-M457 HydrophobicContact CD1-SD 3.55Å; L450-M457 VanDerWaalsContact CD1-SD 3.55Å; N454-M457 VanDerWaalsContact OD1-CB 3.27Å; N454-M457 WeakPolarHBondContact OD1-CB 3.27Å; N454-M457 VanDerWaalsContact OD1-CG 3.29Å; N454-M457 WeakPolarHBondContact OD1-CG 3.04Å; N454-M457 PolarHBondContact OD1-N 3.3Å; N454-M457 VanDerWaalsContact OD1-N 3.12Å; M457-T461 HydrophobicContact CE-CG2 3.36Å; M457-K462 HydrophobicContact CB-CG 3.71Å; M457-K462 VanDerWaalsContact O-CE 3.28Å; M457-K462 WeakPolarHBondContact O-CE 3.32Å; M457-A465 HydrophobicContact CE-CB 4.07Å; M457-W603 HydrophobicContact CE-CH2 4.1Å; M457-W603 HydrophobicContact CE-CZ2 4.12Å; M457-W603 HydrophobicContact CE-CZ3 4.37Å; M457-S607 WeakPolarHBondContact CA-OG 3.46Å; M457-W749 HydrophobicContact SD-CH2 3.97Å; M457-W749 HydrophobicContact SD-CZ3 3.68Å
458	D	97.1	Very high	97	Very high	46 Å²	46	51.8 Å²	51.8	25%	0.246	25%	0.252	C	S	.	.			trans	-67	159.7	170.4	72.7	80.9	0	0	0	112.3	G460 T461 K462 S604 S607	D458-G460 VanDerWaalsContact C-N 3.28Å; D458-G460 PolarHBondContact O-N 2.87Å; D458-G460 VanDerWaalsContact OD1-CA 3.29Å; D458-G460 WeakPolarHBondContact OD1-CA 2.99Å; D458-G460 PolarHBondContact OD1-N 2.83Å; D458-T461 PolarHBondContact O-N 2.9Å; D458-T461 PolarHBondContact OD1-N 2.84Å; D458-T461 PolarHBondContact OD1-OG1 2.8Å; D458-T461 WeakPolarHBondContact OD2-CB 3.11Å; D458-T461 PolarHBondContact OD2-OG1 2.69Å; D458-K462 WeakPolarHBondContact O-CG 3.47Å; D458-K462 PolarHBondContact O-N 2.81Å; D458-S604 VanDerWaalsContact OD2-CB 3.24Å; D458-S604 WeakPolarHBondContact OD2-CB 3.19Å; D458-S604 PolarHBondContact OD2-OG 2.66Å; D458-S607 PolarHBondContact N-OG 3.47Å; D458-S607 VanDerWaalsContact N-OG 3.13Å; D458-S607 PolarHBondContact OD2-OG 3.2Å
459	A	96.8	Very high	97	Very high	80 Å²	80	51.2 Å²	51.2	66%	0.661	25%	0.249	S	C	*	.	H	α-helix	trans	-61	-33.3	-176.3	0	0	0	0	0	113.8	R463	A459-R463 WeakPolarHBondContact O-CB 3.25Å; A459-R463 PolarHBondContact O-N 2.82Å
460	G	97.5	Very high	97.1	Very high	22 Å²	22	58.7 Å²	58.7	23%	0.227	28%	0.277	C	S	.	.	H	α-helix	trans	-69.4	-46.5	178.5	0	0	0	0	0	111.8	D458 R463 K464	D458-G460 VanDerWaalsContact C-N 3.28Å; D458-G460 PolarHBondContact O-N 2.87Å; D458-G460 VanDerWaalsContact OD1-CA 3.29Å; D458-G460 WeakPolarHBondContact OD1-CA 2.99Å; D458-G460 PolarHBondContact OD1-N 2.83Å; G460-R463 PolarHBondContact O-N 3.12Å; G460-K464 PolarHBondContact O-N 2.83Å; G460-K464 VanDerWaalsContact O-N 3.16Å
461	T	98	Very high	97.1	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.012	29%	0.29	C	S	.	.	H	α-helix	trans	-65.6	-41.9	176.9	-53.9	0	0	0	0	110.9	M457 D458 R463 K464 A465 W602 W603 S604 S607	M457-T461 HydrophobicContact CE-CG2 3.36Å; D458-T461 PolarHBondContact O-N 2.9Å; D458-T461 PolarHBondContact OD1-N 2.84Å; D458-T461 PolarHBondContact OD1-OG1 2.8Å; D458-T461 WeakPolarHBondContact OD2-CB 3.11Å; D458-T461 PolarHBondContact OD2-OG1 2.69Å; T461-R463 VanDerWaalsContact C-N 3.35Å; T461-R463 PolarHBondContact O-N 3.33Å; T461-K464 PolarHBondContact O-N 3.04Å; T461-A465 WeakPolarHBondContact O-CB 3.49Å; T461-A465 PolarHBondContact O-N 2.86Å; T461-W602 HydrophobicContact CG2-CZ3 4.27Å; T461-W603 HydrophobicContact CG2-CB 3.94Å; T461-W603 HydrophobicContact CG2-CD2 3.56Å; T461-W603 HydrophobicContact CG2-CE3 4.03Å; T461-W603 HydrophobicContact CG2-CG 3.54Å; T461-S604 PolarHBondContact OG1-N 2.9Å; T461-S607 PolarHBondContact OG1-OG 3.21Å
462	K	97.9	Very high	97.2	Very high	45 Å²	45	56.1 Å²	56.1	20%	0.196	27%	0.271	C	S	.	.	H	α-helix	trans	-57	-44.7	172.5	-74.4	-175.8	178.1	-178.7	0	112.5	L450 N454 M457 D458 K464 A465 K466	L450-K462 HydrophobicContact CD1-CG 3.96Å; L450-K462 HydrophobicContact CG-CG 4.32Å; L450-K462 WeakPolarHBondContact O-CE 3.35Å; N454-K462 WeakPolarHBondContact O-CE 3.3Å; N454-K462 PolarHBondContact O-NZ 3.18Å; M457-K462 HydrophobicContact CB-CG 3.71Å; M457-K462 VanDerWaalsContact O-CE 3.28Å; M457-K462 WeakPolarHBondContact O-CE 3.32Å; D458-K462 WeakPolarHBondContact O-CG 3.47Å; D458-K462 PolarHBondContact O-N 2.81Å; K462-K464 PolarHBondContact O-N 2.92Å; K462-A465 PolarHBondContact O-N 2.89Å; K462-K466 WeakPolarHBondContact O-CG 3.28Å; K462-K466 PolarHBondContact O-N 2.89Å
463	R	97.8	Very high	97.2	Very high	141 Å²	141	53 Å²	53	53%	0.532	26%	0.261	S	S	.	.	H	α-helix	trans	-58.8	-48.3	177.8	-177.7	178.1	61.9	-119.1	-1.8	111.4	A459 G460 T461 K466 E467	A459-R463 WeakPolarHBondContact O-CB 3.25Å; A459-R463 PolarHBondContact O-N 2.82Å; G460-R463 PolarHBondContact O-N 3.12Å; T461-R463 VanDerWaalsContact C-N 3.35Å; T461-R463 PolarHBondContact O-N 3.33Å; R463-K466 PolarHBondContact O-N 2.89Å; R463-E467 PolarHBondContact O-N 3.41Å
464	K	98.1	Very high	97.3	Very high	89 Å²	89	51.4 Å²	51.4	39%	0.387	26%	0.259	S	S	.	.	H	α-helix	trans	-64.6	-38.8	178	-68.7	-178.5	-179.3	-177.1	0	112.7	G460 T461 K462 K466 E467 K468 W602	G460-K464 PolarHBondContact O-N 2.83Å; G460-K464 VanDerWaalsContact O-N 3.16Å; T461-K464 PolarHBondContact O-N 3.04Å; K462-K464 PolarHBondContact O-N 2.92Å; K464-K466 VanDerWaalsContact C-N 3.33Å; K464-K466 PolarHBondContact O-N 3Å; K464-E467 WeakPolarHBondContact O-CB 3.33Å; K464-E467 PolarHBondContact O-N 3.39Å; K464-K468 PolarHBondContact O-N 2.82Å; K464-W602 HydrophobicContact CB-CE3 3.53Å; K464-W602 HydrophobicContact CB-CZ3 3.73Å; K464-W602 HydrophobicContact CD-CB 4.17Å; K464-W602 HydrophobicContact CD-CE3 4.01Å; K464-W602 WeakPolarHBondContact CD-O 3.28Å; K464-W602 HydrophobicContact CG-CE3 4.47Å; K464-W602 PolarHBondContact NZ-O 3.04Å
465	A	98.3	Very high	97.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.8	-39.9	175.6	0	0	0	0	0	111.7	L450 M457 T461 K462 K468 A469 F586 W602	L450-A465 HydrophobicContact CD2-CB 3.68Å; M457-A465 HydrophobicContact CE-CB 4.07Å; T461-A465 WeakPolarHBondContact O-CB 3.49Å; T461-A465 PolarHBondContact O-N 2.86Å; K462-A465 PolarHBondContact O-N 2.89Å; A465-K468 PolarHBondContact O-N 2.85Å; A465-A469 VanDerWaalsContact O-CB 3.31Å; A465-A469 WeakPolarHBondContact O-CB 3.45Å; A465-A469 PolarHBondContact O-N 3.15Å; A465-F586 HydrophobicContact CB-CE1 4.12Å; A465-W602 HydrophobicContact CB-CH2 3.96Å; A465-W602 HydrophobicContact CB-CZ3 4.04Å
466	K	98.3	Very high	97.5	Very high	47 Å²	47	45.7 Å²	45.7	20%	0.204	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-41.8	172.1	-68.7	-173.2	-58.9	-171.1	0	112.9	I447 L450 E451 K462 R463 K464 K468 A469 R470	I447-K466 HydrophobicContact CG2-CD 4.01Å; I447-K466 HydrophobicContact CG2-CG 4.23Å; L450-K466 HydrophobicContact CD2-CG 3.65Å; E451-K466 HydrophobicContact CG-CD 3.81Å; E451-K466 WeakPolarHBondContact OE1-CD 3.5Å; E451-K466 WeakPolarHBondContact OE1-CE 3.4Å; E451-K466 IonicContact OE1-NZ 3.01Å; E451-K466 PolarHBondContact OE1-NZ 3.12Å; K462-K466 WeakPolarHBondContact O-CG 3.28Å; K462-K466 PolarHBondContact O-N 2.89Å; R463-K466 PolarHBondContact O-N 2.89Å; K464-K466 VanDerWaalsContact C-N 3.33Å; K464-K466 PolarHBondContact O-N 3Å; K466-K468 VanDerWaalsContact C-N 3.33Å; K466-K468 PolarHBondContact O-N 3.06Å; K466-A469 PolarHBondContact O-N 3.03Å; K466-R470 VanDerWaalsContact O-CG 3.31Å; K466-R470 WeakPolarHBondContact O-CG 3.39Å; K466-R470 PolarHBondContact O-N 3.13Å
467	E	98.4	Very high	97.5	Very high	76 Å²	76	44.5 Å²	44.5	36%	0.355	23%	0.228	S	C	.	.	H	α-helix	trans	-59.9	-44.7	174.5	-72.2	179.1	-144.5	0	0	111.5	R463 K464 R470 A471 K595	R463-E467 PolarHBondContact O-N 3.41Å; K464-E467 WeakPolarHBondContact O-CB 3.33Å; K464-E467 PolarHBondContact O-N 3.39Å; E467-R470 PolarHBondContact O-N 2.86Å; E467-A471 WeakPolarHBondContact O-CB 3.4Å; E467-A471 PolarHBondContact O-N 2.77Å; E467-A471 VanDerWaalsContact O-N 3.11Å; E467-K595 HydrophobicContact CB-CD 4.4Å; E467-K595 IonicContact OE2-NZ 3.55Å; E467-K595 PolarHBondContact OE2-NZ 2.96Å
468	K	98.3	Very high	97.5	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-45.9	175.9	-179.7	172.6	-174.7	-175.9	0	112	K464 A465 K466 R470 A471 V472 Y541 N546 G585 F586 G590 Y593 K595 W602	K464-K468 PolarHBondContact O-N 2.82Å; A465-K468 PolarHBondContact O-N 2.85Å; K466-K468 VanDerWaalsContact C-N 3.33Å; K466-K468 PolarHBondContact O-N 3.06Å; K468-R470 VanDerWaalsContact C-N 3.29Å; K468-R470 PolarHBondContact O-N 2.05Å; K468-A471 CarbonylContact O-C 3.55Å; K468-A471 PolarHBondContact O-N 3.08Å; K468-V472 WeakPolarHBondContact O-CG2 3.3Å; K468-V472 PolarHBondContact O-N 3.02Å; K468-Y541 WeakPolarHBondContact CE-OH 3.27Å; K468-Y541 PolarHBondContact NZ-OH 3.49Å; K468-N546 WeakPolarHBondContact CE-OD1 3.43Å; K468-N546 PolarHBondContact O-ND2 3.35Å; K468-G585 WeakPolarHBondContact CE-O 3.42Å; K468-G585 PolarHBondContact NZ-O 3.33Å; K468-F586 HydrophobicContact CB-CE1 4.1Å; K468-F586 HydrophobicContact CB-CZ 4.2Å; K468-F586 HydrophobicContact CD-CE1 3.93Å; K468-F586 HydrophobicContact CD-CZ 4.23Å; K468-F586 HydrophobicContact CG-CE1 4.06Å; K468-F586 HydrophobicContact CG-CZ 3.98Å; K468-G590 PolarHBondContact NZ-O 3.41Å; K468-Y593 WeakPolarHBondContact CE-O 3.44Å; K468-Y593 PolarHBondContact NZ-O 3.35Å; K468-K595 HydrophobicContact CB-CB 4.14Å; K468-K595 HydrophobicContact CG-CB 4.41Å; K468-W602 HydrophobicContact CD-CZ2 3.86Å
469	A	98.4	Very high	97.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.8	-41.7	178.9	0	0	0	0	0	111.9	R443 F446 I447 A465 K466 A471 V472 F582 F586	R443-A469 PolarHBondContact NE-O 3.23Å; F446-A469 HydrophobicContact CD1-CB 3.91Å; F446-A469 HydrophobicContact CE1-CB 4.02Å; I447-A469 HydrophobicContact CD1-CB 4.31Å; I447-A469 HydrophobicContact CG1-CB 4.07Å; A465-A469 VanDerWaalsContact O-CB 3.31Å; A465-A469 WeakPolarHBondContact O-CB 3.45Å; A465-A469 PolarHBondContact O-N 3.15Å; K466-A469 PolarHBondContact O-N 3.03Å; A469-A471 VanDerWaalsContact C-N 3.32Å; A469-A471 PolarHBondContact O-N 2.77Å; A469-V472 PolarHBondContact O-N 2.92Å; A469-F582 HydrophobicContact CB-CE1 4.12Å; A469-F582 HydrophobicContact CB-CZ 3.76Å; A469-F586 HydrophobicContact CB-CE2 4.44Å; A469-F586 HydrophobicContact CB-CZ 3.88Å
470	R	98.3	Very high	97.3	Very high	159 Å²	159	44.5 Å²	44.5	60%	0.6	22%	0.216	S	C	*	.	H	α-helix	trans	-68.9	-29.2	175.2	-70.4	173.2	-177.5	165	0.1	113.3	I447 K466 E467 K468 V472	I447-R470 HydrophobicContact CD1-CG 3.94Å; K466-R470 VanDerWaalsContact O-CG 3.31Å; K466-R470 WeakPolarHBondContact O-CG 3.39Å; K466-R470 PolarHBondContact O-N 3.13Å; E467-R470 PolarHBondContact O-N 2.86Å; K468-R470 VanDerWaalsContact C-N 3.29Å; K468-R470 PolarHBondContact O-N 2.05Å; R470-V472 VanDerWaalsContact C-N 3.34Å
471	A	97.8	Very high	97.1	Very high	35 Å²	35	44.7 Å²	44.7	29%	0.289	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-5.2	178.9	0	0	0	0	0	113.8	E467 K468 A469 L473 N546 K595	E467-A471 WeakPolarHBondContact O-CB 3.4Å; E467-A471 PolarHBondContact O-N 2.77Å; E467-A471 VanDerWaalsContact O-N 3.11Å; K468-A471 CarbonylContact O-C 3.55Å; K468-A471 PolarHBondContact O-N 3.08Å; A469-A471 VanDerWaalsContact C-N 3.32Å; A469-A471 PolarHBondContact O-N 2.77Å; A471-L473 PolarHBondContact O-N 2.86Å; A471-N546 PolarHBondContact O-ND2 3.27Å; A471-K595 HydrophobicContact CB-CB 3.92Å
472	V	97.6	Very high	96.9	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.012	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-65.2	119	176.6	176.2	0	0	0	0	109.5	R443 K468 A469 R470 N546 I548 F582	R443-V472 PolarHBondContact NH2-O 3.07Å; R443-V472 VanDerWaalsContact NH2-O 3.07Å; K468-V472 WeakPolarHBondContact O-CG2 3.3Å; K468-V472 PolarHBondContact O-N 3.02Å; A469-V472 PolarHBondContact O-N 2.92Å; R470-V472 VanDerWaalsContact C-N 3.34Å; V472-N546 WeakPolarHBondContact CA-O 3.29Å; V472-N546 PolarHBondContact N-ND2 2.85Å; V472-I548 HydrophobicContact CG1-CD1 4.17Å; V472-I548 HydrophobicContact CG1-CG1 4.05Å; V472-I548 HydrophobicContact CG1-CG2 3.95Å; V472-F582 HydrophobicContact CB-CD2 4.38Å; V472-F582 HydrophobicContact CB-CE2 3.85Å; V472-F582 HydrophobicContact CG1-CD2 4.09Å; V472-F582 HydrophobicContact CG1-CE2 4.06Å; V472-F582 HydrophobicContact CG2-CD2 4.46Å; V472-F582 HydrophobicContact CG2-CE2 3.93Å; V472-F582 HydrophobicContact CG2-CZ 4.24Å
473	L	96.3	Very high	96.7	Very high	77 Å²	77	45.4 Å²	45.4	40%	0.403	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	128.2	177.7	-67.6	177.6	0	0	0	110.4	A471 N546 Q547 I548	A471-L473 PolarHBondContact O-N 2.86Å; L473-N546 PolarHBondContact N-O 3.39Å; L473-N546 VanDerWaalsContact N-O 3.08Å; L473-Q547 HydrophobicContact CB-CG 3.96Å; L473-Q547 CarbonylContact O-C 3.57Å; L473-Q547 WeakPolarHBondContact O-CA 3.49Å; L473-I548 PolarHBondContact O-N 2.89Å
474	A	96.1	Very high	96.5	Very high	35 Å²	35	42.7 Å²	42.7	29%	0.289	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	144.7	175.5	0	0	0	0	0	112.2	I439 I548	I439-A474 HydrophobicContact CD1-CB 3.41Å; I439-A474 VanDerWaalsContact CD1-CB 3.41Å; I439-A474 HydrophobicContact CG1-CB 4.19Å; I439-A474 HydrophobicContact CG2-CB 3.94Å; A474-I548 CarbonylContact C-O 3.41Å; A474-I548 WeakPolarHBondContact CA-O 3.47Å; A474-I548 HydrophobicContact CB-CD1 4.05Å; A474-I548 HydrophobicContact CB-CG1 3.8Å
475	K	96.7	Very high	96.2	Very high	46 Å²	46	41.6 Å²	41.6	20%	0.2	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	125.3	178.2	-65.2	-62.2	-176.4	-174.3	0	109.9	T528 W530 I548 R549 F550	K475-T528 WeakPolarHBondContact CE-O 3.36Å; K475-T528 PolarHBondContact NZ-O 3.23Å; K475-W530 HydrophobicContact CB-CB 4.41Å; K475-W530 HydrophobicContact CB-CD2 3.44Å; K475-W530 VanDerWaalsContact CB-CD2 3.44Å; K475-W530 HydrophobicContact CB-CE3 3.65Å; K475-W530 HydrophobicContact CB-CG 3.81Å; K475-W530 HydrophobicContact CB-CH2 4.15Å; K475-W530 HydrophobicContact CB-CZ2 3.96Å; K475-W530 HydrophobicContact CB-CZ3 4.01Å; K475-W530 HydrophobicContact CD-CB 4.39Å; K475-W530 HydrophobicContact CD-CD2 4.34Å; K475-W530 HydrophobicContact CD-CG 3.91Å; K475-W530 HydrophobicContact CG-CB 3.95Å; K475-W530 HydrophobicContact CG-CD2 3.93Å; K475-W530 HydrophobicContact CG-CE3 4.44Å; K475-W530 HydrophobicContact CG-CG 3.71Å; K475-I548 PolarHBondContact N-O 3.23Å; K475-R549 HydrophobicContact CB-CG 4.12Å; K475-R549 CarbonylContact O-C 3.58Å; K475-R549 WeakPolarHBondContact O-CA 3.44Å; K475-F550 PolarHBondContact O-N 3.47Å
476	V	96.8	Very high	95.9	Very high	21 Å²	21	46.8 Å²	46.8	13%	0.127	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133	-166.6	-175.3	0	0	0	0	110.4	K432 M435 I439 Y478 F550 L555	K432-V476 HydrophobicContact CG-CB 4.44Å; K432-V476 HydrophobicContact CG-CG1 4.09Å; M435-V476 HydrophobicContact CB-CG1 3.78Å; M435-V476 HydrophobicContact CB-CG2 3.96Å; M435-V476 HydrophobicContact CG-CG1 3.69Å; I439-V476 HydrophobicContact CD1-CG2 4.02Å; V476-Y478 PolarHBondContact O-N 3.18Å; V476-Y478 VanDerWaalsContact O-N 3.11Å; V476-F550 CarbonylContact C-O 3.51Å; V476-F550 WeakPolarHBondContact CA-O 3.22Å; V476-F550 HydrophobicContact CG2-CD2 4.4Å; V476-L555 HydrophobicContact CG1-CD1 3.65Å
477	G	96.4	Very high	95.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.2	-84	176.9	0	0	0	0	0	112.5	F550 P551 A552	G477-F550 PolarHBondContact N-O 2.92Å; G477-P551 CarbonylContact O-C 3.56Å; G477-P551 WeakPolarHBondContact O-CA 3.42Å; G477-A552 PolarHBondContact O-N 3.28Å
478	Y	96.5	Very high	95.1	Very high	26 Å²	26	45 Å²	45	10%	0.102	23%	0.234	C	C	.	.			trans	-153.2	157.7	-171.3	61.4	-88	0	0	0	112.8	V423 F427 E429 V476 I482 M483 W530	V423-Y478 HydrophobicContact CB-CD1 4.24Å; V423-Y478 HydrophobicContact CG1-CD1 3.36Å; V423-Y478 HydrophobicContact CG1-CE1 3.37Å; V423-Y478 HydrophobicContact CG1-CG 3.97Å; V423-Y478 HydrophobicContact CG2-CD1 3.81Å; V423-Y478 HydrophobicContact CG2-CG 4.01Å; F427-Y478 HydrophobicContact CD1-CD1 4.12Å; F427-Y478 AromaticContact CD1-CE1 3.87Å; F427-Y478 HydrophobicContact CD1-CE1 3.87Å; F427-Y478 HydrophobicContact CE1-CD1 4.24Å; F427-Y478 AromaticContact CE1-CE1 3.98Å; F427-Y478 HydrophobicContact CE1-CE1 3.98Å; E429-Y478 VanDerWaalsContact OE1-CE1 3.24Å; E429-Y478 WeakPolarHBondContact OE1-CE1 3.43Å; E429-Y478 PolarHBondContact OE1-OH 3.41Å; V476-Y478 PolarHBondContact O-N 3.18Å; V476-Y478 VanDerWaalsContact O-N 3.11Å; Y478-I482 HydrophobicContact CD2-CD1 3.92Å; Y478-I482 HydrophobicContact CD2-CG1 4.01Å; Y478-I482 HydrophobicContact CG-CD1 4.11Å; Y478-M483 HydrophobicContact CD2-CE 3.85Å; Y478-M483 HydrophobicContact CD2-CG 4.32Å; Y478-M483 HydrophobicContact CE1-CE 4.23Å; Y478-M483 HydrophobicContact CE2-CE 3.49Å; Y478-M483 VanDerWaalsContact CE2-CE 3.49Å; Y478-M483 HydrophobicContact CE2-CG 3.65Å; Y478-M483 HydrophobicContact CE2-SD 4.45Å; Y478-M483 HydrophobicContact CG-CE 4.38Å; Y478-W530 VanDerWaalsContact CA-CZ2 3.48Å; Y478-W530 VanDerWaalsContact N-CZ2 3.32Å; Y478-W530 WeakPolarHBondContact O-CZ2 3.47Å; Y478-W530 PolarHBondContact O-NE1 2.04Å
479	P	95.3	Very high	94.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.244	C	C	.	.			trans	-76.3	134.3	172.6	20.1	-16.8	0	0	0	112.3	Y416 F481 I482 W530	Y416-P479 HydrophobicContact CD1-CG 4.44Å; Y416-P479 HydrophobicContact CE1-CG 4.31Å; P479-F481 HydrophobicContact CB-CD1 3.64Å; P479-F481 HydrophobicContact CB-CE1 3.36Å; P479-F481 HydrophobicContact CB-CZ 4.05Å; P479-F481 HydrophobicContact CG-CD1 4.34Å; P479-F481 HydrophobicContact CG-CE1 3.69Å; P479-F481 HydrophobicContact CG-CZ 3.86Å; P479-F481 PolarHBondContact O-N 3.38Å; P479-F481 VanDerWaalsContact O-N 3.13Å; P479-I482 HydrophobicContact CG-CG2 3.84Å; P479-I482 WeakPolarHBondContact O-CG1 3.5Å; P479-I482 PolarHBondContact O-N 2.87Å; P479-I482 VanDerWaalsContact O-N 3.12Å; P479-W530 HydrophobicContact CB-CG 4.4Å; P479-W530 WeakPolarHBondContact CB-O 3.4Å
480	D	93.8	Very high	94.3	Very high	110 Å²	110	52.1 Å²	52.1	59%	0.588	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-60	-31.6	-171	-63.3	-30.8	0	0	0	112.7	I482 M483	D480-I482 PolarHBondContact O-N 3.35Å; D480-I482 VanDerWaalsContact O-N 3.1Å; D480-M483 PolarHBondContact O-N 3.01Å
481	F	93.4	Very high	93.6	Very high	27 Å²	27	47.4 Å²	47.4	12%	0.118	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-60.1	-23.8	-179.5	71.4	-105	0	0	0	113.7	Y416 P479 M483 N484 H487 E529 F531	Y416-F481 HydrophobicContact CD1-CE2 4.1Å; Y416-F481 AromaticContact CD1-CZ 3.95Å; Y416-F481 HydrophobicContact CD1-CZ 3.95Å; Y416-F481 HydrophobicContact CD2-CE2 4.1Å; Y416-F481 HydrophobicContact CD2-CZ 4.31Å; Y416-F481 HydrophobicContact CE1-CE2 4.37Å; Y416-F481 AromaticContact CE1-CZ 3.79Å; Y416-F481 HydrophobicContact CE1-CZ 3.79Å; Y416-F481 HydrophobicContact CE2-CE2 4.36Å; Y416-F481 HydrophobicContact CE2-CZ 4.15Å; Y416-F481 AromaticContact CG-CE2 3.98Å; Y416-F481 HydrophobicContact CG-CE2 3.98Å; Y416-F481 HydrophobicContact CG-CZ 4.23Å; Y416-F481 AromaticContact CZ-CZ 3.89Å; P479-F481 HydrophobicContact CB-CD1 3.64Å; P479-F481 HydrophobicContact CB-CE1 3.36Å; P479-F481 HydrophobicContact CB-CZ 4.05Å; P479-F481 HydrophobicContact CG-CD1 4.34Å; P479-F481 HydrophobicContact CG-CE1 3.69Å; P479-F481 HydrophobicContact CG-CZ 3.86Å; P479-F481 PolarHBondContact O-N 3.38Å; P479-F481 VanDerWaalsContact O-N 3.13Å; F481-M483 PolarHBondContact O-N 3.32Å; F481-N484 WeakPolarHBondContact O-CB 3.38Å; F481-N484 PolarHBondContact O-N 2.94Å; F481-N484 VanDerWaalsContact O-N 3.13Å; F481-H487 AromaticContact CD2-CD2 3.42Å; F481-H487 VanDerWaalsContact CD2-CD2 3.42Å; F481-H487 WeakPolarHBondContact CD2-CD2 3.44Å; F481-H487 AromaticContact CD2-NE2 3.46Å; F481-H487 WeakPolarHBondContact CD2-NE2 3.35Å; F481-H487 AromaticContact CG-NE2 3.98Å; F481-E529 HydrophobicContact CD1-CG 4.07Å; F481-E529 HydrophobicContact CE1-CG 4.21Å; F481-F531 AromaticContact CE1-CD1 3.83Å; F481-F531 HydrophobicContact CE1-CD1 3.83Å; F481-F531 AromaticContact CE1-CE1 3.67Å; F481-F531 HydrophobicContact CE1-CE1 3.67Å; F481-F531 AromaticContact CZ-CD1 3.88Å; F481-F531 HydrophobicContact CZ-CD1 3.88Å; F481-F531 AromaticContact CZ-CE1 3.98Å; F481-F531 HydrophobicContact CZ-CE1 3.98Å
482	I	95.1	Very high	93.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-69.7	-19.4	179.9	79.8	-178.9	0	0	0	111.9	Y416 K420 Y478 P479 D480 N484 V488 P534	Y416-I482 HydrophobicContact CD1-CG2 3.84Å; Y416-I482 HydrophobicContact CG-CG2 4.11Å; K420-I482 HydrophobicContact CB-CD1 4.37Å; K420-I482 HydrophobicContact CB-CG1 4.38Å; K420-I482 WeakPolarHBondContact CD-O 3.45Å; Y478-I482 HydrophobicContact CD2-CD1 3.92Å; Y478-I482 HydrophobicContact CD2-CG1 4.01Å; Y478-I482 HydrophobicContact CG-CD1 4.11Å; P479-I482 HydrophobicContact CG-CG2 3.84Å; P479-I482 WeakPolarHBondContact O-CG1 3.5Å; P479-I482 PolarHBondContact O-N 2.87Å; P479-I482 VanDerWaalsContact O-N 3.12Å; D480-I482 PolarHBondContact O-N 3.35Å; D480-I482 VanDerWaalsContact O-N 3.1Å; I482-N484 PolarHBondContact O-N 3.38Å; I482-V488 WeakPolarHBondContact O-CG2 2.89Å; I482-P534 HydrophobicContact CD1-CG 3.73Å
483	M	93.4	Very high	92.8	Very high	61 Å²	61	51.9 Å²	51.9	30%	0.3	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-81.2	-6.6	176.3	-63	-55.1	178	0	0	112.9	K420 V423 Y478 D480 F481	K420-M483 HydrophobicContact CG-SD 4.27Å; V423-M483 HydrophobicContact CB-CE 3.87Å; V423-M483 HydrophobicContact CG1-CE 3.23Å; Y478-M483 HydrophobicContact CD2-CE 3.85Å; Y478-M483 HydrophobicContact CD2-CG 4.32Å; Y478-M483 HydrophobicContact CE1-CE 4.23Å; Y478-M483 HydrophobicContact CE2-CE 3.49Å; Y478-M483 VanDerWaalsContact CE2-CE 3.49Å; Y478-M483 HydrophobicContact CE2-CG 3.65Å; Y478-M483 HydrophobicContact CE2-SD 4.45Å; Y478-M483 HydrophobicContact CG-CE 4.38Å; D480-M483 PolarHBondContact O-N 3.01Å; F481-M483 PolarHBondContact O-N 3.32Å
484	N	94.1	Very high	92.3	Very high	85 Å²	85	52.3 Å²	52.3	46%	0.455	28%	0.284	S	S	.	.			trans	-93.2	99.5	173.6	-174.3	-22.8	0	0	0	110.4	F481 I482 T486 H487 V488	F481-N484 WeakPolarHBondContact O-CB 3.38Å; F481-N484 PolarHBondContact O-N 2.94Å; F481-N484 VanDerWaalsContact O-N 3.13Å; I482-N484 PolarHBondContact O-N 3.38Å; N484-T486 PolarHBondContact O-N 3.39Å; N484-T486 VanDerWaalsContact O-N 3.16Å; N484-T486 WeakPolarHBondContact OD1-CB 3.41Å; N484-T486 PolarHBondContact OD1-N 2.9Å; N484-T486 VanDerWaalsContact OD1-N 3.11Å; N484-H487 HydrophobicContact CB-CB 4.07Å; N484-H487 WeakPolarHBondContact O-CB 3.49Å; N484-H487 PolarHBondContact O-N 2.84Å; N484-H487 PolarHBondContact OD1-N 3.37Å; N484-V488 PolarHBondContact O-N 2.95Å; N484-V488 VanDerWaalsContact O-N 3.16Å
485	D	91.9	Very high	92.1	Very high	65 Å²	65	50.9 Å²	50.9	35%	0.348	27%	0.271	S	S	.	.	H	α-helix	trans	-55.7	-34.4	-179	-70.5	-23.8	0	0	0	113.2	T129 K420 H487 N489	T129-D485 HydrophobicContact CG2-CB 4.23Å; K420-D485 WeakPolarHBondContact CE-OD1 3.47Å; D485-H487 VanDerWaalsContact C-N 3.34Å; D485-H487 PolarHBondContact O-N 3.2Å; D485-N489 VanDerWaalsContact O-CB 3.28Å; D485-N489 WeakPolarHBondContact O-CB 3.44Å; D485-N489 PolarHBondContact O-N 2.95Å; D485-N489 PolarHBondContact O-ND2 3.22Å
486	T	91.9	Very high	92	Very high	109 Å²	109	56.6 Å²	56.6	67%	0.669	30%	0.296	S	S	*	.	H	α-helix	trans	-63	-43.3	177.7	-56.2	0	0	0	0	110.9	N484 E490	N484-T486 PolarHBondContact O-N 3.39Å; N484-T486 VanDerWaalsContact O-N 3.16Å; N484-T486 WeakPolarHBondContact OD1-CB 3.41Å; N484-T486 PolarHBondContact OD1-N 2.9Å; N484-T486 VanDerWaalsContact OD1-N 3.11Å; T486-E490 WeakPolarHBondContact O-CB 3.36Å; T486-E490 PolarHBondContact O-N 3.3Å; T486-E490 VanDerWaalsContact O-N 3.08Å
487	H	88.9	Confident	91.9	Very high	76 Å²	76	56.6 Å²	56.6	35%	0.352	29%	0.294	S	S	.	.	H	α-helix	trans	-65.4	-49.5	179.5	-177.8	79.8	0	0	0	111.2	F481 N484 D485 N489 E490 D491	F481-H487 AromaticContact CD2-CD2 3.42Å; F481-H487 VanDerWaalsContact CD2-CD2 3.42Å; F481-H487 WeakPolarHBondContact CD2-CD2 3.44Å; F481-H487 AromaticContact CD2-NE2 3.46Å; F481-H487 WeakPolarHBondContact CD2-NE2 3.35Å; F481-H487 AromaticContact CG-NE2 3.98Å; N484-H487 HydrophobicContact CB-CB 4.07Å; N484-H487 WeakPolarHBondContact O-CB 3.49Å; N484-H487 PolarHBondContact O-N 2.84Å; N484-H487 PolarHBondContact OD1-N 3.37Å; D485-H487 VanDerWaalsContact C-N 3.34Å; D485-H487 PolarHBondContact O-N 3.2Å; H487-N489 VanDerWaalsContact C-N 3.32Å; H487-N489 PolarHBondContact O-N 3Å; H487-E490 PolarHBondContact O-N 3.23Å; H487-D491 IonicContact NE2-OD2 3.33Å; H487-D491 PolarHBondContact O-N 2.92Å
488	V	90.2	Very high	91.9	Very high	9 Å²	9	58.8 Å²	58.8	6%	0.055	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-37.1	-179.5	-178.3	0	0	0	0	111.9	A131 V417 I482 N484	A131-V488 HydrophobicContact CB-CG1 3.71Å; V417-V488 HydrophobicContact CG2-CG1 3.82Å; I482-V488 WeakPolarHBondContact O-CG2 2.89Å; N484-V488 PolarHBondContact O-N 2.95Å; N484-V488 VanDerWaalsContact O-N 3.16Å
489	N	90.9	Very high	91.8	Very high	39 Å²	39	62.5 Å²	62.5	21%	0.209	33%	0.328	C	S	.	.	H	α-helix	trans	-70.2	-41.2	177.7	-72.3	-34.5	0	0	0	112.5	A131 D485 H487 D491 L492 K493	A131-N489 WeakPolarHBondContact CB-OD1 3.22Å; A131-N489 PolarHBondContact N-OD1 2.9Å; D485-N489 VanDerWaalsContact O-CB 3.28Å; D485-N489 WeakPolarHBondContact O-CB 3.44Å; D485-N489 PolarHBondContact O-N 2.95Å; D485-N489 PolarHBondContact O-ND2 3.22Å; H487-N489 VanDerWaalsContact C-N 3.32Å; H487-N489 PolarHBondContact O-N 3Å; N489-D491 VanDerWaalsContact C-N 3.33Å; N489-D491 PolarHBondContact O-N 3.07Å; N489-L492 PolarHBondContact O-N 3.45Å; N489-K493 PolarHBondContact O-N 3.34Å; N489-K493 VanDerWaalsContact O-N 3.12Å
490	E	88.5	Confident	91.7	Very high	112 Å²	112	67 Å²	67	52%	0.523	36%	0.359	S	S	.	.	H	α-helix	trans	-63.9	-39.7	179.8	-170.3	63	-151.9	0	0	111.3	T486 H487 L492 K493	T486-E490 WeakPolarHBondContact O-CB 3.36Å; T486-E490 PolarHBondContact O-N 3.3Å; T486-E490 VanDerWaalsContact O-N 3.08Å; H487-E490 PolarHBondContact O-N 3.23Å; E490-L492 PolarHBondContact O-N 3.11Å; E490-L492 VanDerWaalsContact O-N 3.14Å; E490-K493 VanDerWaalsContact CD-NZ 3.33Å; E490-K493 VanDerWaalsContact O-CB 3.3Å; E490-K493 WeakPolarHBondContact O-CB 3.35Å; E490-K493 PolarHBondContact O-N 3.37Å; E490-K493 VanDerWaalsContact OE1-CD 3.26Å; E490-K493 WeakPolarHBondContact OE1-CD 3.44Å; E490-K493 IonicContact OE1-NZ 3.86Å; E490-K493 PolarHBondContact OE1-NZ 3.23Å; E490-K493 WeakPolarHBondContact OE2-CD 3.42Å; E490-K493 IonicContact OE2-NZ 2.8Å; E490-K493 PolarHBondContact OE2-NZ 3.02Å
491	D	85	Confident	91.8	Very high	61 Å²	61	65.4 Å²	65.4	33%	0.326	35%	0.351	S	S	.	.	H	α-helix	trans	-58.1	-28.1	176.7	-90	9.7	0	0	0	113.5	H487 N489 Y512	H487-D491 IonicContact NE2-OD2 3.33Å; H487-D491 PolarHBondContact O-N 2.92Å; N489-D491 VanDerWaalsContact C-N 3.33Å; N489-D491 PolarHBondContact O-N 3.07Å; D491-Y512 VanDerWaalsContact O-CE2 3.24Å; D491-Y512 WeakPolarHBondContact O-CE2 3.49Å; D491-Y512 PolarHBondContact O-OH 3.35Å; D491-Y512 VanDerWaalsContact O-OH 3.07Å
492	L	88.8	Confident	92	Very high	10 Å²	10	65 Å²	65	5%	0.052	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	2.6	-176.5	-60.4	-177.6	0	0	0	114	A131 K134 L414 V417 N489 E490 A494 I495	A131-L492 HydrophobicContact CB-CD1 3.97Å; K134-L492 HydrophobicContact CD-CB 4.25Å; K134-L492 PolarHBondContact NZ-O 3.27Å; L414-L492 HydrophobicContact CD2-CD1 3.94Å; L414-L492 HydrophobicContact CD2-CD2 3.55Å; L414-L492 HydrophobicContact CD2-CG 4.42Å; V417-L492 HydrophobicContact CG2-CD1 3.42Å; V417-L492 VanDerWaalsContact CG2-CD1 3.42Å; N489-L492 PolarHBondContact O-N 3.45Å; E490-L492 PolarHBondContact O-N 3.11Å; E490-L492 VanDerWaalsContact O-N 3.14Å; L492-A494 PolarHBondContact O-N 3.1Å; L492-I495 HydrophobicContact CD2-CD1 3.98Å; L492-I495 PolarHBondContact O-N 2.95Å
493	K	89.1	Confident	92.1	Very high	120 Å²	120	65.6 Å²	65.6	52%	0.522	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-33.1	-175.6	-175.7	178.2	-175.4	172	0	113.9	N489 E490 I495	N489-K493 PolarHBondContact O-N 3.34Å; N489-K493 VanDerWaalsContact O-N 3.12Å; E490-K493 VanDerWaalsContact CD-NZ 3.33Å; E490-K493 VanDerWaalsContact O-CB 3.3Å; E490-K493 WeakPolarHBondContact O-CB 3.35Å; E490-K493 PolarHBondContact O-N 3.37Å; E490-K493 VanDerWaalsContact OE1-CD 3.26Å; E490-K493 WeakPolarHBondContact OE1-CD 3.44Å; E490-K493 IonicContact OE1-NZ 3.86Å; E490-K493 PolarHBondContact OE1-NZ 3.23Å; E490-K493 WeakPolarHBondContact OE2-CD 3.42Å; E490-K493 IonicContact OE2-NZ 2.8Å; E490-K493 PolarHBondContact OE2-NZ 3.02Å; K493-I495 PolarHBondContact O-N 3.34Å
494	A	86.1	Confident	92.3	Very high	87 Å²	87	63.2 Å²	63.2	72%	0.719	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-12.5	178.8	0	0	0	0	0	113.8	L492	L492-A494 PolarHBondContact O-N 3.1Å
495	I	90.9	Very high	92.5	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.026	32%	0.321	C	S	.	.			trans	-103.4	132.7	-174.1	-51.7	179.3	0	0	0	110.5	K134 L492 K493 F497 Y512	K134-I495 WeakPolarHBondContact CE-O 3.38Å; K134-I495 PolarHBondContact NZ-O 2.85Å; L492-I495 HydrophobicContact CD2-CD1 3.98Å; L492-I495 PolarHBondContact O-N 2.95Å; K493-I495 PolarHBondContact O-N 3.34Å; I495-F497 HydrophobicContact CG2-CD1 3.75Å; I495-F497 HydrophobicContact CG2-CD2 4.1Å; I495-F497 HydrophobicContact CG2-CE1 3.32Å; I495-F497 HydrophobicContact CG2-CE2 3.66Å; I495-F497 HydrophobicContact CG2-CG 4.15Å; I495-F497 HydrophobicContact CG2-CZ 3.28Å; I495-Y512 HydrophobicContact CD1-CD1 3.95Å; I495-Y512 HydrophobicContact CD1-CD2 3.88Å; I495-Y512 HydrophobicContact CD1-CE1 4.46Å; I495-Y512 HydrophobicContact CD1-CE2 4.39Å; I495-Y512 HydrophobicContact CD1-CG 3.63Å; I495-Y512 HydrophobicContact CG1-CD2 4.18Å; I495-Y512 HydrophobicContact CG1-CG 4.26Å
496	K	94.3	Very high	92.7	Very high	165 Å²	165	56.1 Å²	56.1	72%	0.717	30%	0.304	S	S	*	.			trans	-132.4	93.4	178.3	-64.1	-175.6	-178.2	-177.3	0	109.9	Q508	K496-Q508 PolarHBondContact O-NE2 3.44Å; K496-Q508 PolarHBondContact O-OE1 3.12Å; K496-Q508 VanDerWaalsContact O-OE1 3.09Å
497	F	96.4	Very high	92.9	Very high	22 Å²	22	52.7 Å²	52.7	10%	0.096	28%	0.282	C	S	.	.			trans	-76.5	151.1	179.7	-61.3	-51.6	0	0	0	112.4	K134 I137 L138 L414 I495 N505 Q508 T509	K134-F497 HydrophobicContact CB-CD2 3.94Å; K134-F497 HydrophobicContact CB-CE2 4.3Å; K134-F497 HydrophobicContact CG-CD2 4.37Å; I137-F497 HydrophobicContact CG2-CB 3.71Å; L138-F497 HydrophobicContact CB-CD2 4.05Å; L138-F497 HydrophobicContact CB-CE2 4.25Å; L138-F497 HydrophobicContact CB-CG 4.4Å; L138-F497 HydrophobicContact CD1-CD1 3.93Å; L138-F497 HydrophobicContact CD1-CD2 4.44Å; L138-F497 HydrophobicContact CD1-CE1 3.92Å; L138-F497 HydrophobicContact CD1-CE2 4.47Å; L138-F497 HydrophobicContact CD1-CG 4.18Å; L138-F497 HydrophobicContact CD1-CZ 4.19Å; L138-F497 HydrophobicContact CD2-CD2 4.5Å; L138-F497 HydrophobicContact CD2-CE1 4.32Å; L138-F497 HydrophobicContact CD2-CE2 3.91Å; L138-F497 HydrophobicContact CD2-CZ 3.77Å; L138-F497 HydrophobicContact CG-CE2 4.46Å; L138-F497 HydrophobicContact CG-CZ 4.47Å; L414-F497 HydrophobicContact CD1-CE2 4Å; L414-F497 HydrophobicContact CD2-CE2 4.34Å; L414-F497 HydrophobicContact CD2-CZ 4.5Å; I495-F497 HydrophobicContact CG2-CD1 3.75Å; I495-F497 HydrophobicContact CG2-CD2 4.1Å; I495-F497 HydrophobicContact CG2-CE1 3.32Å; I495-F497 HydrophobicContact CG2-CE2 3.66Å; I495-F497 HydrophobicContact CG2-CG 4.15Å; I495-F497 HydrophobicContact CG2-CZ 3.28Å; F497-N505 VanDerWaalsContact CA-OD1 3.25Å; F497-N505 WeakPolarHBondContact CA-OD1 3.26Å; F497-N505 HydrophobicContact CD1-CB 3.67Å; F497-N505 HydrophobicContact CE1-CB 4.16Å; F497-Q508 HydrophobicContact CE1-CB 4.49Å; F497-T509 WeakPolarHBondContact CE1-OG1 2.98Å
498	S	96.1	Very high	93.2	Very high	45 Å²	45	52.3 Å²	52.3	32%	0.315	28%	0.28	S	S	.	.			trans	-116.4	134.8	175.1	175.5	0	0	0	0	110.5	S141 S500 N505	S141-S498 WeakPolarHBondContact CB-O 3.36Å; S498-S500 PolarHBondContact O-N 3.25Å; S498-S500 PolarHBondContact OG-N 2.97Å; S498-S500 PolarHBondContact OG-OG 2.99Å; S498-S500 VanDerWaalsContact OG-OG 3.09Å; S498-N505 PolarHBondContact N-OD1 2.95Å; S498-N505 PolarHBondContact O-ND2 3.1Å
499	E	94.4	Very high	93.5	Very high	105 Å²	105	52 Å²	52	49%	0.491	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.2	175.2	-66.2	-177.8	-169.5	0	0	113	I137 S141	I137-E499 HydrophobicContact CB-CG 4.34Å; I137-E499 HydrophobicContact CG1-CG 4.14Å; I137-E499 HydrophobicContact CG2-CG 3.8Å; S141-E499 WeakPolarHBondContact CA-O 3.28Å; S141-E499 WeakPolarHBondContact CB-O 3.26Å
500	S	93.7	Very high	93.7	Very high	95 Å²	95	53 Å²	53	66%	0.664	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-5.5	-174.4	61.1	0	0	0	0	114.7	S498	S498-S500 PolarHBondContact O-N 3.25Å; S498-S500 PolarHBondContact OG-N 2.97Å; S498-S500 PolarHBondContact OG-OG 2.99Å; S498-S500 VanDerWaalsContact OG-OG 3.09Å
501	D	95.5	Very high	94	Very high	76 Å²	76	53.3 Å²	53.3	41%	0.406	28%	0.279	S	S	.	.			trans	-131.1	75.5	-174.9	-175.3	14.7	0	0	0	112.3	F503 G504 N505	D501-F503 PolarHBondContact O-N 3.41Å; D501-G504 PolarHBondContact O-N 2.92Å; D501-G504 PolarHBondContact OD1-N 3.13Å; D501-G504 WeakPolarHBondContact OD2-CA 3.35Å; D501-N505 WeakPolarHBondContact O-CB 3.34Å; D501-N505 PolarHBondContact O-N 2.86Å; D501-N505 PolarHBondContact O-ND2 3.39Å; D501-N505 PolarHBondContact O-OD1 3.23Å
502	Y	97.1	Very high	94.4	Very high	18 Å²	18	53.7 Å²	53.7	7%	0.071	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-45.2	177.2	174.4	-120.3	0	0	0	112.7	S141 C142 I148 N377 F409 G504 N505 V506	S141-Y502 WeakPolarHBondContact O-CB 3.35Å; C142-Y502 VanDerWaalsContact CA-CD2 3.47Å; C142-Y502 HydrophobicContact CB-CD2 3.6Å; C142-Y502 HydrophobicContact CB-CE2 3.43Å; C142-Y502 VanDerWaalsContact CB-CE2 3.43Å; C142-Y502 HydrophobicContact CB-CG 4.45Å; I148-Y502 HydrophobicContact CD1-CD1 3.63Å; I148-Y502 HydrophobicContact CD1-CE1 4.19Å; I148-Y502 HydrophobicContact CD1-CG 4.17Å; I148-Y502 HydrophobicContact CG1-CD1 3.99Å; I148-Y502 HydrophobicContact CG1-CG 4.49Å; N377-Y502 HydrophobicContact CB-CE1 4.06Å; N377-Y502 PolarHBondContact ND2-OH 2.88Å; F409-Y502 AromaticContact CD1-CE2 3.82Å; F409-Y502 HydrophobicContact CD1-CE2 3.82Å; F409-Y502 AromaticContact CE1-CE2 3.76Å; F409-Y502 HydrophobicContact CE1-CE2 3.76Å; Y502-G504 PolarHBondContact O-N 3.37Å; Y502-N505 WeakPolarHBondContact O-CB 3.49Å; Y502-N505 PolarHBondContact O-N 2.97Å; Y502-V506 HydrophobicContact CD2-CG2 4.2Å; Y502-V506 HydrophobicContact CE1-CG2 4.11Å; Y502-V506 HydrophobicContact CE2-CG2 3.71Å; Y502-V506 WeakPolarHBondContact O-CG2 3.38Å; Y502-V506 PolarHBondContact O-N 3.27Å
503	F	97.4	Very high	94.6	Very high	12 Å²	12	55.2 Å²	55.2	5%	0.053	28%	0.284	C	S	.	.	H	α-helix	trans	-66	-42.2	-177.6	-166.6	-88.2	0	0	0	111	P155 L156 I159 R374 N377 L378 D501 N505 V506 L507	P155-F503 HydrophobicContact CB-CB 3.86Å; P155-F503 HydrophobicContact CB-CD1 3.25Å; P155-F503 HydrophobicContact CB-CD2 4.16Å; P155-F503 HydrophobicContact CB-CE1 3.7Å; P155-F503 HydrophobicContact CB-CG 3.49Å; P155-F503 VanDerWaalsContact CB-CG 3.49Å; P155-F503 HydrophobicContact CB-CZ 4.34Å; P155-F503 HydrophobicContact CG-CB 4.11Å; P155-F503 HydrophobicContact CG-CD1 4.37Å; P155-F503 HydrophobicContact CG-CG 4.19Å; L156-F503 HydrophobicContact CB-CE2 4.49Å; L156-F503 HydrophobicContact CB-CZ 4.05Å; L156-F503 HydrophobicContact CD1-CZ 4.47Å; I159-F503 HydrophobicContact CD1-CE1 3.72Å; I159-F503 HydrophobicContact CD1-CZ 4.24Å; R374-F503 HydrophobicContact CB-CE2 4.47Å; N377-F503 HydrophobicContact CB-CD2 4.15Å; N377-F503 HydrophobicContact CB-CE2 4.36Å; L378-F503 HydrophobicContact CD2-CD2 4.05Å; L378-F503 HydrophobicContact CD2-CE2 3.66Å; D501-F503 PolarHBondContact O-N 3.41Å; F503-N505 VanDerWaalsContact C-N 3.33Å; F503-N505 PolarHBondContact O-N 2.87Å; F503-V506 WeakPolarHBondContact O-CB 3.45Å; F503-V506 PolarHBondContact O-N 3.05Å; F503-L507 HydrophobicContact CD1-CD1 3.98Å; F503-L507 HydrophobicContact CD1-CG 4.1Å; F503-L507 HydrophobicContact CE1-CD1 3.89Å; F503-L507 HydrophobicContact CE1-CD2 4.05Å; F503-L507 HydrophobicContact CE1-CG 4.03Å; F503-L507 WeakPolarHBondContact O-CG 3.46Å; F503-L507 PolarHBondContact O-N 3.23Å
504	G	97.1	Very high	94.9	Very high	12 Å²	12	49.5 Å²	49.5	12%	0.124	26%	0.259	C	S	.	.	H	α-helix	trans	-61.2	-39.6	172.3	0	0	0	0	0	112.7	D501 Y502 V506 L507 Q508	D501-G504 PolarHBondContact O-N 2.92Å; D501-G504 PolarHBondContact OD1-N 3.13Å; D501-G504 WeakPolarHBondContact OD2-CA 3.35Å; Y502-G504 PolarHBondContact O-N 3.37Å; G504-V506 VanDerWaalsContact C-N 3.35Å; G504-V506 PolarHBondContact O-N 3.43Å; G504-L507 PolarHBondContact O-N 2.93Å; G504-Q508 WeakPolarHBondContact O-CG 3.45Å; G504-Q508 PolarHBondContact O-N 3.36Å
505	N	97.7	Very high	95.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-44.2	172.8	-66.7	-19.9	0	0	0	111.9	L138 S141 F497 S498 D501 Y502 F503 L507 Q508 T509	L138-N505 HydrophobicContact CD1-CB 3.48Å; L138-N505 VanDerWaalsContact CD1-CB 3.48Å; S141-N505 WeakPolarHBondContact CB-ND2 3.36Å; S141-N505 PolarHBondContact OG-ND2 3.17Å; F497-N505 VanDerWaalsContact CA-OD1 3.25Å; F497-N505 WeakPolarHBondContact CA-OD1 3.26Å; F497-N505 HydrophobicContact CD1-CB 3.67Å; F497-N505 HydrophobicContact CE1-CB 4.16Å; S498-N505 PolarHBondContact N-OD1 2.95Å; S498-N505 PolarHBondContact O-ND2 3.1Å; D501-N505 WeakPolarHBondContact O-CB 3.34Å; D501-N505 PolarHBondContact O-N 2.86Å; D501-N505 PolarHBondContact O-ND2 3.39Å; D501-N505 PolarHBondContact O-OD1 3.23Å; Y502-N505 WeakPolarHBondContact O-CB 3.49Å; Y502-N505 PolarHBondContact O-N 2.97Å; F503-N505 VanDerWaalsContact C-N 3.33Å; F503-N505 PolarHBondContact O-N 2.87Å; N505-L507 VanDerWaalsContact C-N 3.3Å; N505-L507 PolarHBondContact O-N 3.04Å; N505-Q508 PolarHBondContact O-N 3.21Å; N505-T509 PolarHBondContact O-N 3.26Å; N505-T509 PolarHBondContact O-OG1 3.42Å; N505-T509 VanDerWaalsContact O-OG1 3.14Å
506	V	97.1	Very high	95.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-56.9	-44.4	174.4	171.7	0	0	0	0	110.9	N377 F409 Y502 F503 G504 T509 R510	N377-V506 HydrophobicContact CB-CG2 4.43Å; F409-V506 HydrophobicContact CE1-CG2 4.01Å; F409-V506 HydrophobicContact CE2-CG2 4.14Å; F409-V506 HydrophobicContact CZ-CB 4.29Å; F409-V506 HydrophobicContact CZ-CG2 3.64Å; Y502-V506 HydrophobicContact CD2-CG2 4.2Å; Y502-V506 HydrophobicContact CE1-CG2 4.11Å; Y502-V506 HydrophobicContact CE2-CG2 3.71Å; Y502-V506 WeakPolarHBondContact O-CG2 3.38Å; Y502-V506 PolarHBondContact O-N 3.27Å; F503-V506 WeakPolarHBondContact O-CB 3.45Å; F503-V506 PolarHBondContact O-N 3.05Å; G504-V506 VanDerWaalsContact C-N 3.35Å; G504-V506 PolarHBondContact O-N 3.43Å; V506-T509 PolarHBondContact O-N 2.75Å; V506-R510 HydrophobicContact CG1-CG 4.37Å; V506-R510 WeakPolarHBondContact O-CB 3.45Å; V506-R510 WeakPolarHBondContact O-CG 3.26Å; V506-R510 PolarHBondContact O-N 3.09Å
507	L	95.9	Very high	95.5	Very high	38 Å²	38	40.9 Å²	40.9	20%	0.199	21%	0.212	C	C	.	.	H	α-helix	trans	-65.6	-41.1	178.1	-61.7	179.5	0	0	0	112.5	I159 Y198 F503 G504 N505 R510 K511	I159-L507 HydrophobicContact CD1-CD1 3.72Å; I159-L507 HydrophobicContact CD1-CD2 3.86Å; I159-L507 HydrophobicContact CD1-CG 4.4Å; I159-L507 HydrophobicContact CG1-CD1 4.48Å; Y198-L507 HydrophobicContact CD1-CD2 4.13Å; Y198-L507 HydrophobicContact CE1-CD2 3.93Å; F503-L507 HydrophobicContact CD1-CD1 3.98Å; F503-L507 HydrophobicContact CD1-CG 4.1Å; F503-L507 HydrophobicContact CE1-CD1 3.89Å; F503-L507 HydrophobicContact CE1-CD2 4.05Å; F503-L507 HydrophobicContact CE1-CG 4.03Å; F503-L507 WeakPolarHBondContact O-CG 3.46Å; F503-L507 PolarHBondContact O-N 3.23Å; G504-L507 PolarHBondContact O-N 2.93Å; N505-L507 VanDerWaalsContact C-N 3.3Å; N505-L507 PolarHBondContact O-N 3.04Å; L507-R510 PolarHBondContact O-N 3.32Å; L507-K511 WeakPolarHBondContact O-CB 3.36Å; L507-K511 PolarHBondContact O-N 3.42Å
508	Q	95.6	Very high	95.5	Very high	67 Å²	67	39.8 Å²	39.8	31%	0.313	21%	0.207	S	C	.	.	H	α-helix	trans	-60.8	-47.7	176	-72.6	-172.6	73.3	0	0	111.5	K496 F497 G504 N505 R510 K511 Y512	K496-Q508 PolarHBondContact O-NE2 3.44Å; K496-Q508 PolarHBondContact O-OE1 3.12Å; K496-Q508 VanDerWaalsContact O-OE1 3.09Å; F497-Q508 HydrophobicContact CE1-CB 4.49Å; G504-Q508 WeakPolarHBondContact O-CG 3.45Å; G504-Q508 PolarHBondContact O-N 3.36Å; N505-Q508 PolarHBondContact O-N 3.21Å; Q508-R510 VanDerWaalsContact C-N 3.28Å; Q508-R510 PolarHBondContact O-N 3.32Å; Q508-K511 PolarHBondContact O-N 2.55Å; Q508-Y512 PolarHBondContact O-N 3.08Å
509	T	95.7	Very high	95.4	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-56.3	-44.4	174.5	-61.5	0	0	0	0	111.1	F409 A413 F497 N505 V506 K511 Y512 L513	F409-T509 HydrophobicContact CE2-CG2 4.49Å; F409-T509 HydrophobicContact CZ-CG2 4.49Å; A413-T509 HydrophobicContact CB-CG2 3.52Å; F497-T509 WeakPolarHBondContact CE1-OG1 2.98Å; N505-T509 PolarHBondContact O-N 3.26Å; N505-T509 PolarHBondContact O-OG1 3.42Å; N505-T509 VanDerWaalsContact O-OG1 3.14Å; V506-T509 PolarHBondContact O-N 2.75Å; T509-K511 PolarHBondContact O-N 3.35Å; T509-Y512 WeakPolarHBondContact O-CB 3.37Å; T509-Y512 PolarHBondContact O-N 2.83Å; T509-L513 HydrophobicContact CG2-CD1 3.97Å; T509-L513 HydrophobicContact CG2-CG 4.35Å; T509-L513 WeakPolarHBondContact O-CG 3.35Å; T509-L513 PolarHBondContact O-N 2.68Å
510	R	95.1	Very high	95.5	Very high	62 Å²	62	39.9 Å²	39.9	23%	0.234	20%	0.199	C	C	.	.	H	α-helix	trans	-69.2	-36	-177	-67.5	-78.7	176.9	-153.9	-5.6	112.4	S199 R374 V506 L507 Q508 A514	S199-R510 WeakPolarHBondContact CB-O 3.48Å; R374-R510 VanDerWaalsContact NH1-CG 3.31Å; V506-R510 HydrophobicContact CG1-CG 4.37Å; V506-R510 WeakPolarHBondContact O-CB 3.45Å; V506-R510 WeakPolarHBondContact O-CG 3.26Å; V506-R510 PolarHBondContact O-N 3.09Å; L507-R510 PolarHBondContact O-N 3.32Å; Q508-R510 VanDerWaalsContact C-N 3.28Å; Q508-R510 PolarHBondContact O-N 3.32Å; R510-A514 VanDerWaalsContact O-CB 3.24Å; R510-A514 WeakPolarHBondContact O-CB 3.04Å; R510-A514 PolarHBondContact O-N 3.06Å
511	K	94.6	Very high	95.7	Very high	117 Å²	117	35.4 Å²	35.4	51%	0.509	17%	0.167	S	C	.	.	H	α-helix	trans	-64.6	-41.2	172.6	-175.3	179	177.5	-175.9	0	112.1	Q197 L507 Q508 T509 A514	Q197-K511 WeakPolarHBondContact O-CA 3.38Å; Q197-K511 WeakPolarHBondContact O-CB 3.38Å; Q197-K511 PolarHBondContact O-N 3.15Å; L507-K511 WeakPolarHBondContact O-CB 3.36Å; L507-K511 PolarHBondContact O-N 3.42Å; Q508-K511 PolarHBondContact O-N 2.55Å; T509-K511 PolarHBondContact O-N 3.35Å; K511-A514 WeakPolarHBondContact O-CB 3.36Å; K511-A514 PolarHBondContact O-N 3.29Å
512	Y	93.6	Very high	95.7	Very high	70 Å²	70	38.4 Å²	38.4	28%	0.275	17%	0.173	S	C	.	.	H	α-helix	trans	-62.5	-52.8	174.5	173	-99.8	0	0	0	111.5	D491 I495 Q508 T509 A514 Q515 S516	D491-Y512 VanDerWaalsContact O-CE2 3.24Å; D491-Y512 WeakPolarHBondContact O-CE2 3.49Å; D491-Y512 PolarHBondContact O-OH 3.35Å; D491-Y512 VanDerWaalsContact O-OH 3.07Å; I495-Y512 HydrophobicContact CD1-CD1 3.95Å; I495-Y512 HydrophobicContact CD1-CD2 3.88Å; I495-Y512 HydrophobicContact CD1-CE1 4.46Å; I495-Y512 HydrophobicContact CD1-CE2 4.39Å; I495-Y512 HydrophobicContact CD1-CG 3.63Å; I495-Y512 HydrophobicContact CG1-CD2 4.18Å; I495-Y512 HydrophobicContact CG1-CG 4.26Å; Q508-Y512 PolarHBondContact O-N 3.08Å; T509-Y512 WeakPolarHBondContact O-CB 3.37Å; T509-Y512 PolarHBondContact O-N 2.83Å; Y512-A514 PolarHBondContact O-N 3.26Å; Y512-Q515 PolarHBondContact O-N 2.79Å; Y512-S516 PolarHBondContact O-N 2.93Å; Y512-S516 VanDerWaalsContact O-N 3.14Å
513	L	93.1	Very high	95.6	Very high	41 Å²	41	41.2 Å²	41.2	22%	0.215	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-31.8	179	-68	176.9	0	0	0	112.6	T509 Q515 S516	T509-L513 HydrophobicContact CG2-CD1 3.97Å; T509-L513 HydrophobicContact CG2-CG 4.35Å; T509-L513 WeakPolarHBondContact O-CG 3.35Å; T509-L513 PolarHBondContact O-N 2.68Å; L513-Q515 PolarHBondContact O-N 3.2Å; L513-S516 PolarHBondContact O-N 2.81Å; L513-S516 PolarHBondContact O-OG 3.41Å
514	A	95.8	Very high	95.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-21.8	176.7	0	0	0	0	0	113.8	R195 G196 R510 K511 Y512	R195-A514 PolarHBondContact NH1-O 3.36Å; R195-A514 WeakPolarHBondContact O-CB 3.27Å; G196-A514 VanDerWaalsContact O-CB 3.3Å; G196-A514 WeakPolarHBondContact O-CB 3.19Å; R510-A514 VanDerWaalsContact O-CB 3.24Å; R510-A514 WeakPolarHBondContact O-CB 3.04Å; R510-A514 PolarHBondContact O-N 3.06Å; K511-A514 WeakPolarHBondContact O-CB 3.36Å; K511-A514 PolarHBondContact O-N 3.29Å; Y512-A514 PolarHBondContact O-N 3.26Å
515	Q	95.2	Very high	95.6	Very high	7 Å²	7	44.3 Å²	44.3	3%	0.033	21%	0.211	C	C	.	.	H	α-helix	trans	-109.1	-20.5	-178.8	-67.4	-59.5	-47.5	0	0	112.7	G196 V321 D323 L326 Y327 Y512 L513 D517 F518	G196-Q515 PolarHBondContact O-NE2 3.16Å; V321-Q515 PolarHBondContact O-NE2 2.77Å; D323-Q515 HydrophobicContact CB-CG 4.29Å; L326-Q515 HydrophobicContact CD1-CB 3.97Å; L326-Q515 HydrophobicContact CD1-CG 3.96Å; Y327-Q515 HydrophobicContact CE2-CB 4Å; Y327-Q515 WeakPolarHBondContact CE2-O 3.27Å; Y327-Q515 PolarHBondContact OH-O 3.29Å; Y512-Q515 PolarHBondContact O-N 2.79Å; L513-Q515 PolarHBondContact O-N 3.2Å; Q515-D517 VanDerWaalsContact C-N 3.31Å; Q515-D517 PolarHBondContact O-N 3.21Å; Q515-D517 VanDerWaalsContact O-N 3.12Å; Q515-F518 PolarHBondContact O-N 3.07Å
516	S	93	Very high	95.4	Very high	44 Å²	44	46.3 Å²	46.3	31%	0.308	22%	0.224	S	C	.	.	H	α-helix	trans	-52.7	-36.5	-171	63.6	0	0	0	0	116	Y512 L513 F519	Y512-S516 PolarHBondContact O-N 2.93Å; Y512-S516 VanDerWaalsContact O-N 3.14Å; L513-S516 PolarHBondContact O-N 2.81Å; L513-S516 PolarHBondContact O-OG 3.41Å; S516-F519 WeakPolarHBondContact O-CB 3.49Å
517	D	95.5	Very high	95.1	Very high	25 Å²	25	48.4 Å²	48.4	13%	0.134	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-29.9	-178.5	64.5	-33.5	0	0	0	113	R195 Y207 V208 Q515 F519 W520	R195-D517 IonicContact CZ-OD1 3.96Å; R195-D517 IonicContact NH2-OD1 2.89Å; R195-D517 PolarHBondContact NH2-OD1 2.76Å; R195-D517 IonicContact NH2-OD2 3.96Å; R195-D517 PolarHBondContact NH2-OD2 2.82Å; Y207-D517 WeakPolarHBondContact CA-OD2 3.45Å; Y207-D517 WeakPolarHBondContact CB-OD2 3.39Å; V208-D517 HydrophobicContact CB-CB 4.3Å; V208-D517 WeakPolarHBondContact CB-O 3.33Å; V208-D517 PolarHBondContact N-OD2 3.31Å; Q515-D517 VanDerWaalsContact C-N 3.31Å; Q515-D517 PolarHBondContact O-N 3.21Å; Q515-D517 VanDerWaalsContact O-N 3.12Å; D517-F519 PolarHBondContact O-N 2.62Å; D517-W520 WeakPolarHBondContact O-CB 3.25Å; D517-W520 PolarHBondContact O-N 3.47Å; D517-W520 VanDerWaalsContact O-N 3.08Å
518	F	96.9	Very high	94.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-65.8	-21.5	177.6	-63.3	-66.8	0	0	0	113.5	L206 V208 L220 V321 I322 Y327 L330 Q515 W520 L521	L206-F518 HydrophobicContact CD2-CZ 4.23Å; L206-F518 HydrophobicContact CG-CZ 4.35Å; V208-F518 HydrophobicContact CG2-CD1 3.64Å; V208-F518 HydrophobicContact CG2-CE1 4.05Å; V208-F518 HydrophobicContact CG2-CG 4.48Å; L220-F518 HydrophobicContact CD2-CD1 4.22Å; L220-F518 HydrophobicContact CD2-CE1 3.8Å; V321-F518 HydrophobicContact CG1-CE2 3.67Å; V321-F518 HydrophobicContact CG1-CZ 3.52Å; I322-F518 HydrophobicContact CD1-CD1 3.99Å; I322-F518 HydrophobicContact CD1-CE1 4.01Å; I322-F518 HydrophobicContact CG1-CD1 3.68Å; I322-F518 HydrophobicContact CG1-CD2 4.29Å; I322-F518 HydrophobicContact CG1-CE1 3.64Å; I322-F518 HydrophobicContact CG1-CE2 4.26Å; I322-F518 HydrophobicContact CG1-CG 4.03Å; I322-F518 HydrophobicContact CG1-CZ 3.95Å; Y327-F518 HydrophobicContact CD2-CB 3.92Å; Y327-F518 HydrophobicContact CE2-CB 3.77Å; L330-F518 HydrophobicContact CD1-CB 4.29Å; Q515-F518 PolarHBondContact O-N 3.07Å; F518-W520 PolarHBondContact O-N 2.92Å; F518-W520 VanDerWaalsContact O-N 3.12Å; F518-L521 WeakPolarHBondContact O-CB 3.47Å; F518-L521 PolarHBondContact O-N 2.87Å; F518-L521 VanDerWaalsContact O-N 3.1Å
519	F	94.2	Very high	94.7	Very high	83 Å²	83	50.7 Å²	50.7	36%	0.364	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-52.9	-30.5	170	172.6	-95.5	0	0	0	113.1	Y327 S516 D517 K523	Y327-F519 HydrophobicContact CE1-CB 3.86Å; Y327-F519 HydrophobicContact CE1-CD2 4.32Å; S516-F519 WeakPolarHBondContact O-CB 3.49Å; D517-F519 PolarHBondContact O-N 2.62Å; F519-K523 HydrophobicContact CD1-CD 4.41Å; F519-K523 HydrophobicContact CE1-CD 4.21Å; F519-K523 VanDerWaalsContact CE1-NZ 3.27Å; F519-K523 VanDerWaalsContact O-CD 3.26Å; F519-K523 WeakPolarHBondContact O-CD 3.15Å; F519-K523 WeakPolarHBondContact O-CE 3.35Å
520	W	96.2	Very high	94.6	Very high	69 Å²	69	51 Å²	51	26%	0.261	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-84	-18	-177.3	-64.5	109.7	0	0	0	113.8	V208 H218 D517 F518 R522 K523 P526 F531	V208-W520 HydrophobicContact CG1-CB 4.09Å; H218-W520 HydrophobicContact CB-CB 4.5Å; H218-W520 WeakPolarHBondContact CB-O 3.18Å; H218-W520 AromaticContact CE1-CE3 3.82Å; H218-W520 PolarHBondContact ND1-O 3.24Å; H218-W520 VanDerWaalsContact ND1-O 3.12Å; D517-W520 WeakPolarHBondContact O-CB 3.25Å; D517-W520 PolarHBondContact O-N 3.47Å; D517-W520 VanDerWaalsContact O-N 3.08Å; F518-W520 PolarHBondContact O-N 2.92Å; F518-W520 VanDerWaalsContact O-N 3.12Å; W520-R522 PolarHBondContact O-N 3.42Å; W520-K523 HydrophobicContact CE3-CD 4.49Å; W520-K523 WeakPolarHBondContact O-CB 3.35Å; W520-K523 PolarHBondContact O-N 3.13Å; W520-P526 HydrophobicContact CH2-CG 4.48Å; W520-P526 HydrophobicContact CZ3-CG 4.24Å; W520-F531 HydrophobicContact CH2-CE1 4.03Å; W520-F531 AromaticContact CH2-CE2 3.93Å; W520-F531 HydrophobicContact CH2-CE2 3.93Å; W520-F531 AromaticContact CH2-CZ 3.45Å; W520-F531 HydrophobicContact CH2-CZ 3.45Å; W520-F531 VanDerWaalsContact CH2-CZ 3.45Å; W520-F531 HydrophobicContact CZ2-CE1 4Å; W520-F531 HydrophobicContact CZ2-CE2 4.16Å; W520-F531 AromaticContact CZ2-CZ 3.79Å; W520-F531 HydrophobicContact CZ2-CZ 3.79Å; W520-F531 HydrophobicContact CZ3-CZ 4.48Å
521	L	96.9	Very high	94.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	134.9	179.5	-168.6	60.8	0	0	0	109.5	V208 L220 L330 I333 F518 K523	V208-L521 HydrophobicContact CG1-CB 4.25Å; V208-L521 HydrophobicContact CG1-CD1 4.45Å; V208-L521 HydrophobicContact CG2-CB 4.2Å; L220-L521 HydrophobicContact CD1-CD2 4.23Å; L220-L521 HydrophobicContact CD2-CD2 4.12Å; L220-L521 HydrophobicContact CG-CD1 4.28Å; L220-L521 HydrophobicContact CG-CD2 4.04Å; L330-L521 HydrophobicContact CD1-CB 4.18Å; L330-L521 HydrophobicContact CD1-CD2 4.12Å; L330-L521 HydrophobicContact CD2-CB 4.18Å; L330-L521 HydrophobicContact CD2-CD2 3.86Å; L330-L521 HydrophobicContact CD2-CG 4.04Å; I333-L521 HydrophobicContact CD1-CD2 4.42Å; F518-L521 WeakPolarHBondContact O-CB 3.47Å; F518-L521 PolarHBondContact O-N 2.87Å; F518-L521 VanDerWaalsContact O-N 3.1Å; L521-K523 PolarHBondContact O-N 2.95Å
522	R	95.3	Very high	94.4	Very high	140 Å²	140	46.7 Å²	46.7	53%	0.528	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	5.4	-171.6	-50.7	-60.2	-171.9	-107.2	-7.8	116.1	L330 E337 W520	L330-R522 HydrophobicContact CD2-CG 3.9Å; E337-R522 IonicContact OE1-CZ 2.66Å; E337-R522 IonicContact OE1-NH1 3.15Å; E337-R522 PolarHBondContact OE1-NH1 3.19Å; E337-R522 IonicContact OE1-NH2 2.72Å; E337-R522 PolarHBondContact OE1-NH2 2.84Å; E337-R522 IonicContact OE2-CZ 2.9Å; E337-R522 IonicContact OE2-NH1 3.23Å; E337-R522 IonicContact OE2-NH2 2.71Å; E337-R522 PolarHBondContact OE2-NH2 3.47Å; W520-R522 PolarHBondContact O-N 3.42Å
523	K	95.9	Very high	94.4	Very high	77 Å²	77	44.5 Å²	44.5	34%	0.335	23%	0.228	S	C	.	.	S	Bend	trans	-99	149	169.7	-60.6	-170.2	-179.3	-177.4	0	110.9	H218 F519 W520 L521	H218-K523 PolarHBondContact ND1-O 3.44Å; F519-K523 HydrophobicContact CD1-CD 4.41Å; F519-K523 HydrophobicContact CE1-CD 4.21Å; F519-K523 VanDerWaalsContact CE1-NZ 3.27Å; F519-K523 VanDerWaalsContact O-CD 3.26Å; F519-K523 WeakPolarHBondContact O-CD 3.15Å; F519-K523 WeakPolarHBondContact O-CE 3.35Å; W520-K523 HydrophobicContact CE3-CD 4.49Å; W520-K523 WeakPolarHBondContact O-CB 3.35Å; W520-K523 PolarHBondContact O-N 3.13Å; L521-K523 PolarHBondContact O-N 2.95Å
524	A	96.8	Very high	94.6	Very high	77 Å²	77	42.6 Å²	42.6	64%	0.636	22%	0.218	S	C	*	.	B	Isolated β-bridge	trans	-65.9	146.9	168.6	0	0	0	0	0	110.4	N216 P526	N216-A524 CarbonylContact O-C 3.58Å; N216-A524 VanDerWaalsContact O-CA 3.29Å; N216-A524 WeakPolarHBondContact O-CA 3.24Å; A524-P526 WeakPolarHBondContact O-CD 3.45Å
525	V	96.8	Very high	94.7	Very high	12 Å²	12	42.7 Å²	42.7	7%	0.073	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-70.7	120	172	178.9	0	0	0	0	108.4	P210 S215 N216 K527 T545	P210-V525 HydrophobicContact CB-CG2 3.98Å; P210-V525 HydrophobicContact CG-CG1 4.26Å; P210-V525 HydrophobicContact CG-CG2 3.93Å; S215-V525 WeakPolarHBondContact O-CB 3.38Å; S215-V525 WeakPolarHBondContact O-CG2 3.23Å; N216-V525 PolarHBondContact O-N 3.1Å; V525-K527 HydrophobicContact CG1-CD 4.28Å; V525-K527 PolarHBondContact O-N 3.35Å; V525-T545 HydrophobicContact CG1-CG2 3.94Å
526	P	94.4	Very high	94.8	Very high	42 Å²	42	43.6 Å²	43.6	27%	0.273	23%	0.225	S	C	.	.			trans	-74.4	92.5	178.8	32.6	-37.2	0	0	0	109.9	W520 A524 T528 E529 F531	W520-P526 HydrophobicContact CH2-CG 4.48Å; W520-P526 HydrophobicContact CZ3-CG 4.24Å; A524-P526 WeakPolarHBondContact O-CD 3.45Å; P526-T528 PolarHBondContact O-N 2.79Å; P526-E529 HydrophobicContact CB-CB 3.87Å; P526-E529 HydrophobicContact CG-CB 4.16Å; P526-E529 PolarHBondContact O-N 2.77Å; P526-F531 HydrophobicContact CG-CE2 3.56Å; P526-F531 HydrophobicContact CG-CZ 3.98Å
527	K	90.6	Very high	95	Very high	44 Å²	44	41.7 Å²	41.7	19%	0.191	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-20.8	-174.5	-65.6	-64.2	-166.3	166.1	0	114.6	S215 N216 V525 S544 T545 Q547 N596	S215-K527 WeakPolarHBondContact O-CE 3.25Å; S215-K527 PolarHBondContact O-NZ 3.07Å; S215-K527 PolarHBondContact OG-NZ 3.24Å; N216-K527 WeakPolarHBondContact OD1-CE 3.44Å; V525-K527 HydrophobicContact CG1-CD 4.28Å; V525-K527 PolarHBondContact O-N 3.35Å; K527-S544 PolarHBondContact NZ-O 3.46Å; K527-T545 HydrophobicContact CD-CG2 4.31Å; K527-Q547 PolarHBondContact O-NE2 2.99Å; K527-N596 PolarHBondContact NZ-O 3.12Å
528	T	91.2	Very high	95	Very high	106 Å²	106	43.3 Å²	43.3	65%	0.65	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-12.7	178.6	54.5	0	0	0	0	112.9	K475 P526	K475-T528 WeakPolarHBondContact CE-O 3.36Å; K475-T528 PolarHBondContact NZ-O 3.23Å; P526-T528 PolarHBondContact O-N 2.79Å
529	E	91.8	Very high	95	Very high	47 Å²	47	43.5 Å²	43.5	22%	0.22	22%	0.222	C	C	.	.			trans	-94.5	165.1	177.1	-166.6	50.7	-88.9	0	0	110.6	F481 P526 F531 Q547	F481-E529 HydrophobicContact CD1-CG 4.07Å; F481-E529 HydrophobicContact CE1-CG 4.21Å; P526-E529 HydrophobicContact CB-CB 3.87Å; P526-E529 HydrophobicContact CG-CB 4.16Å; P526-E529 PolarHBondContact O-N 2.77Å; E529-F531 HydrophobicContact CB-CE2 4.3Å; E529-F531 HydrophobicContact CB-CZ 4.28Å; E529-F531 HydrophobicContact CG-CE1 4.18Å; E529-F531 HydrophobicContact CG-CE2 4.08Å; E529-F531 HydrophobicContact CG-CZ 3.68Å; E529-Q547 PolarHBondContact O-NE2 3.48Å
530	W	93.4	Very high	95.1	Very high	7 Å²	7	43 Å²	43	3%	0.027	22%	0.22	C	C	.	.			trans	-141.7	147.7	174.7	66.3	-49.3	0	0	0	112.7	K475 Y478 P479 R549	K475-W530 HydrophobicContact CB-CB 4.41Å; K475-W530 HydrophobicContact CB-CD2 3.44Å; K475-W530 VanDerWaalsContact CB-CD2 3.44Å; K475-W530 HydrophobicContact CB-CE3 3.65Å; K475-W530 HydrophobicContact CB-CG 3.81Å; K475-W530 HydrophobicContact CB-CH2 4.15Å; K475-W530 HydrophobicContact CB-CZ2 3.96Å; K475-W530 HydrophobicContact CB-CZ3 4.01Å; K475-W530 HydrophobicContact CD-CB 4.39Å; K475-W530 HydrophobicContact CD-CD2 4.34Å; K475-W530 HydrophobicContact CD-CG 3.91Å; K475-W530 HydrophobicContact CG-CB 3.95Å; K475-W530 HydrophobicContact CG-CD2 3.93Å; K475-W530 HydrophobicContact CG-CE3 4.44Å; K475-W530 HydrophobicContact CG-CG 3.71Å; Y478-W530 VanDerWaalsContact CA-CZ2 3.48Å; Y478-W530 VanDerWaalsContact N-CZ2 3.32Å; Y478-W530 WeakPolarHBondContact O-CZ2 3.47Å; Y478-W530 PolarHBondContact O-NE1 2.04Å; P479-W530 HydrophobicContact CB-CG 4.4Å; P479-W530 WeakPolarHBondContact CB-O 3.4Å; W530-R549 HydrophobicContact CE3-CB 3.8Å; W530-R549 HydrophobicContact CE3-CG 3.77Å; W530-R549 HydrophobicContact CZ3-CB 3.85Å; W530-R549 HydrophobicContact CZ3-CG 4.33Å
531	F	90.8	Very high	95.2	Very high	74 Å²	74	41.4 Å²	41.4	33%	0.325	21%	0.214	S	C	.	.			trans	-126.9	81.5	-172.7	-62.1	-75.7	0	0	0	108.3	Y416 F481 W520 P526 E529	Y416-F531 WeakPolarHBondContact OH-CA 3.25Å; Y416-F531 VanDerWaalsContact OH-CB 3.25Å; Y416-F531 WeakPolarHBondContact OH-CB 3.26Å; F481-F531 AromaticContact CE1-CD1 3.83Å; F481-F531 HydrophobicContact CE1-CD1 3.83Å; F481-F531 AromaticContact CE1-CE1 3.67Å; F481-F531 HydrophobicContact CE1-CE1 3.67Å; F481-F531 AromaticContact CZ-CD1 3.88Å; F481-F531 HydrophobicContact CZ-CD1 3.88Å; F481-F531 AromaticContact CZ-CE1 3.98Å; F481-F531 HydrophobicContact CZ-CE1 3.98Å; W520-F531 HydrophobicContact CH2-CE1 4.03Å; W520-F531 AromaticContact CH2-CE2 3.93Å; W520-F531 HydrophobicContact CH2-CE2 3.93Å; W520-F531 AromaticContact CH2-CZ 3.45Å; W520-F531 HydrophobicContact CH2-CZ 3.45Å; W520-F531 VanDerWaalsContact CH2-CZ 3.45Å; W520-F531 HydrophobicContact CZ2-CE1 4Å; W520-F531 HydrophobicContact CZ2-CE2 4.16Å; W520-F531 AromaticContact CZ2-CZ 3.79Å; W520-F531 HydrophobicContact CZ2-CZ 3.79Å; W520-F531 HydrophobicContact CZ3-CZ 4.48Å; P526-F531 HydrophobicContact CG-CE2 3.56Å; P526-F531 HydrophobicContact CG-CZ 3.98Å; E529-F531 HydrophobicContact CB-CE2 4.3Å; E529-F531 HydrophobicContact CB-CZ 4.28Å; E529-F531 HydrophobicContact CG-CE1 4.18Å; E529-F531 HydrophobicContact CG-CE2 4.08Å; E529-F531 HydrophobicContact CG-CZ 3.68Å
532	T	94.3	Very high	95.2	Very high	16 Å²	16	42.5 Å²	42.5	10%	0.098	22%	0.221	C	C	.	.			trans	-138.3	134.6	178.8	-59.4	0	0	0	0	108	P534 F540 P551	T532-P534 VanDerWaalsContact O-CD 3.24Å; T532-P534 WeakPolarHBondContact O-CD 3.38Å; T532-F540 HydrophobicContact CG2-CD2 4.08Å; T532-F540 HydrophobicContact CG2-CE2 3.85Å; T532-P551 HydrophobicContact CG2-CG 3.62Å
533	N	95	Very high	95.3	Very high	24 Å²	24	36.6 Å²	36.6	13%	0.128	20%	0.202	C	C	.	.			trans	-62.1	118.4	178.7	176.9	6.7	0	0	0	109.1	P415 T535 T536	P415-N533 HydrophobicContact CB-CB 3.62Å; P415-N533 PolarHBondContact O-OD1 2.81Å; N533-T535 VanDerWaalsContact CG-OG1 3.26Å; N533-T535 PolarHBondContact ND2-OG1 2.8Å; N533-T535 PolarHBondContact O-N 3.46Å; N533-T535 VanDerWaalsContact O-N 3.12Å; N533-T535 PolarHBondContact OD1-N 3.07Å; N533-T535 VanDerWaalsContact OD1-N 3.16Å; N533-T535 PolarHBondContact OD1-OG1 3Å; N533-T535 VanDerWaalsContact OD1-OG1 3.04Å; N533-T536 WeakPolarHBondContact CB-OG1 3.48Å; N533-T536 VanDerWaalsContact O-CB 3.26Å; N533-T536 WeakPolarHBondContact O-CB 3.26Å; N533-T536 PolarHBondContact O-N 3.2Å; N533-T536 PolarHBondContact O-OG1 3.16Å
534	P	96.9	Very high	95.2	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-27.1	-179	-27.3	35.7	0	0	0	114.7	V423 I482 T532 T536 P551 A552 G553	V423-P534 HydrophobicContact CG2-CB 3.99Å; I482-P534 HydrophobicContact CD1-CG 3.73Å; T532-P534 VanDerWaalsContact O-CD 3.24Å; T532-P534 WeakPolarHBondContact O-CD 3.38Å; P534-T536 PolarHBondContact O-N 3.35Å; P534-P551 WeakPolarHBondContact O-CB 3.42Å; P534-A552 CarbonylContact O-C 3.28Å; P534-A552 PolarHBondContact O-N 3.03Å; P534-A552 VanDerWaalsContact O-N 3.08Å; P534-G553 PolarHBondContact O-N 3.17Å
535	T	97.4	Very high	95.1	Very high	2 Å²	2	31 Å²	31	1%	0.012	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-6.3	-178.8	64.9	0	0	0	0	113.2	L115 E411 V418 F422 N533 V537	L115-T535 HydrophobicContact CD1-CG2 4.01Å; L115-T535 HydrophobicContact CD2-CG2 4.1Å; L115-T535 HydrophobicContact CG-CG2 4.46Å; E411-T535 WeakPolarHBondContact OE1-CB 3.33Å; E411-T535 PolarHBondContact OE1-OG1 3.25Å; V418-T535 HydrophobicContact CG2-CG2 4.5Å; F422-T535 HydrophobicContact CB-CG2 3.74Å; F422-T535 HydrophobicContact CD1-CG2 4.5Å; F422-T535 HydrophobicContact CG-CG2 4.02Å; N533-T535 VanDerWaalsContact CG-OG1 3.26Å; N533-T535 PolarHBondContact ND2-OG1 2.8Å; N533-T535 PolarHBondContact O-N 3.46Å; N533-T535 VanDerWaalsContact O-N 3.12Å; N533-T535 PolarHBondContact OD1-N 3.07Å; N533-T535 VanDerWaalsContact OD1-N 3.16Å; N533-T535 PolarHBondContact OD1-OG1 3Å; N533-T535 VanDerWaalsContact OD1-OG1 3.04Å; T535-V537 PolarHBondContact O-N 3.06Å
536	T	96.9	Very high	95.2	Very high	26 Å²	26	30.5 Å²	30.5	16%	0.16	17%	0.165	C	C	.	.			trans	-62.9	127.7	-179	-53.7	0	0	0	0	111.1	N533 P534 N538 F540 P551 E554	N533-T536 WeakPolarHBondContact CB-OG1 3.48Å; N533-T536 VanDerWaalsContact O-CB 3.26Å; N533-T536 WeakPolarHBondContact O-CB 3.26Å; N533-T536 PolarHBondContact O-N 3.2Å; N533-T536 PolarHBondContact O-OG1 3.16Å; P534-T536 PolarHBondContact O-N 3.35Å; T536-N538 HydrophobicContact CG2-CB 3.84Å; T536-N538 PolarHBondContact O-N 3.32Å; T536-F540 HydrophobicContact CG2-CE2 3.94Å; T536-F540 HydrophobicContact CG2-CZ 3.89Å; T536-P551 WeakPolarHBondContact O-CB 3Å; T536-E554 PolarHBondContact O-N 2.77Å
537	V	97	Very high	95.3	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.03	15%	0.152	C	C	.	.	S	Bend	trans	-92	78.7	168.9	-174	0	0	0	0	109	Y104 L107 R108 V111 T535	Y104-V537 HydrophobicContact CD1-CG1 4.09Å; L107-V537 HydrophobicContact CB-CG1 4Å; L107-V537 HydrophobicContact CD2-CG1 3.6Å; L107-V537 HydrophobicContact CD2-CG2 4.46Å; L107-V537 HydrophobicContact CG-CG1 3.77Å; L107-V537 HydrophobicContact CG-CG2 4.02Å; R108-V537 HydrophobicContact CB-CB 4.42Å; R108-V537 HydrophobicContact CB-CG2 4.25Å; V111-V537 HydrophobicContact CB-CG2 4.42Å; V111-V537 HydrophobicContact CG2-CG2 3.82Å; T535-V537 PolarHBondContact O-N 3.06Å
538	N	96.1	Very high	95.7	Very high	59 Å²	59	26.4 Å²	26.4	32%	0.316	14%	0.143	S	C	.	.			trans	-174	159.2	176	-158.6	14.3	0	0	0	110.3	T536 F540 P551	T536-N538 HydrophobicContact CG2-CB 3.84Å; T536-N538 PolarHBondContact O-N 3.32Å; N538-F540 HydrophobicContact CB-CE1 4.37Å; N538-F540 HydrophobicContact CB-CE2 4.02Å; N538-F540 HydrophobicContact CB-CZ 3.72Å; N538-F540 WeakPolarHBondContact ND2-CE1 3.33Å; N538-P551 WeakPolarHBondContact O-CD 3.31Å; N538-P551 WeakPolarHBondContact O-CG 3.44Å
539	A	96.9	Very high	96	Very high	4 Å²	4	23 Å²	23	3%	0.033	12%	0.118	C	C	.	.			trans	-111	162.9	170	0	0	0	0	0	111.4	R549 F550 E554 I577 E581	A539-R549 WeakPolarHBondContact CA-O 3.41Å; A539-F550 HydrophobicContact CB-CD1 3.67Å; A539-F550 HydrophobicContact CB-CE1 3.78Å; A539-E554 WeakPolarHBondContact CB-OE2 3.36Å; A539-E554 PolarHBondContact N-OE2 3.5Å; A539-E554 VanDerWaalsContact N-OE2 3.07Å; A539-I577 HydrophobicContact CB-CG2 3.57Å; A539-E581 HydrophobicContact CB-CG 3.54Å
540	F	97.4	Very high	96.2	Very high	73 Å²	73	20.8 Å²	20.8	32%	0.32	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	140.8	-177.1	-50.2	-87.4	0	0	0	114.1	T532 T536 N538 I548 R549 P551 E581	T532-F540 HydrophobicContact CG2-CD2 4.08Å; T532-F540 HydrophobicContact CG2-CE2 3.85Å; T536-F540 HydrophobicContact CG2-CE2 3.94Å; T536-F540 HydrophobicContact CG2-CZ 3.89Å; N538-F540 HydrophobicContact CB-CE1 4.37Å; N538-F540 HydrophobicContact CB-CE2 4.02Å; N538-F540 HydrophobicContact CB-CZ 3.72Å; N538-F540 WeakPolarHBondContact ND2-CE1 3.33Å; F540-I548 CarbonylContact O-C 3.52Å; F540-I548 WeakPolarHBondContact O-CA 3.46Å; F540-R549 HydrophobicContact CB-CB 4.43Å; F540-R549 PolarHBondContact N-O 2.84Å; F540-R549 PolarHBondContact O-N 2.77Å; F540-P551 HydrophobicContact CE2-CG 4.33Å; F540-E581 WeakPolarHBondContact CA-OE2 3.43Å; F540-E581 PolarHBondContact N-OE2 2.78Å
541	Y	98	Very high	96.4	Very high	35 Å²	35	20.4 Å²	20.4	14%	0.137	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	134.2	158.7	178.6	-106.4	0	0	0	111.9	K468 A543 N546 Q547 I548 E581 H584 G585	K468-Y541 WeakPolarHBondContact CE-OH 3.27Å; K468-Y541 PolarHBondContact NZ-OH 3.49Å; Y541-A543 VanDerWaalsContact CE1-CA 3.47Å; Y541-A543 HydrophobicContact CE1-CB 3.84Å; Y541-N546 PolarHBondContact OH-OD1 2.72Å; Y541-Q547 CarbonylContact C-O 3.23Å; Y541-Q547 WeakPolarHBondContact CA-O 3.46Å; Y541-Q547 WeakPolarHBondContact CD2-O 3.39Å; Y541-I548 HydrophobicContact CD2-CG2 3.88Å; Y541-E581 WeakPolarHBondContact CB-O 3.43Å; Y541-E581 PolarHBondContact N-OE2 3.13Å; Y541-H584 HydrophobicContact CD1-CB 3.71Å; Y541-H584 HydrophobicContact CG-CB 3.74Å; Y541-G585 WeakPolarHBondContact OH-CA 3.48Å
542	S	96.8	Very high	96.8	Very high	22 Å²	22	17 Å²	17	15%	0.154	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	106.6	173.8	171.4	0	0	0	0	110.4	S544 T545 N546 Q547	S542-S544 VanDerWaalsContact C-N 3.34Å; S542-S544 PolarHBondContact O-N 2.8Å; S542-T545 VanDerWaalsContact CB-OG1 3.26Å; S542-T545 WeakPolarHBondContact CB-OG1 3.4Å; S542-T545 PolarHBondContact O-N 3.38Å; S542-T545 PolarHBondContact OG-OG1 2.61Å; S542-N546 WeakPolarHBondContact O-CA 2.92Å; S542-N546 PolarHBondContact O-N 3.34Å; S542-Q547 PolarHBondContact N-O 3.41Å; S542-Q547 PolarHBondContact O-N 3.31Å
543	A	95.9	Very high	96.9	Very high	16 Å²	16	16.2 Å²	16.2	13%	0.132	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-39.8	-179.2	0	0	0	0	0	113	Y541 T545 N546 Y593 G597	Y541-A543 VanDerWaalsContact CE1-CA 3.47Å; Y541-A543 HydrophobicContact CE1-CB 3.84Å; A543-T545 VanDerWaalsContact C-N 3.29Å; A543-T545 PolarHBondContact O-N 2.86Å; A543-N546 PolarHBondContact O-N 3.34Å; A543-Y593 HydrophobicContact CB-CD1 4.1Å; A543-Y593 HydrophobicContact CB-CD2 3.76Å; A543-Y593 HydrophobicContact CB-CE1 4.34Å; A543-Y593 HydrophobicContact CB-CE2 4.04Å; A543-Y593 HydrophobicContact CB-CG 3.79Å; A543-G597 WeakPolarHBondContact O-CA 3.44Å
544	S	94.3	Very high	96.9	Very high	23 Å²	23	15 Å²	15	16%	0.161	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-18.3	-177.3	59.6	0	0	0	0	114.2	S215 K527 S542	S215-S544 WeakPolarHBondContact CB-O 3.48Å; K527-S544 PolarHBondContact NZ-O 3.46Å; S542-S544 VanDerWaalsContact C-N 3.34Å; S542-S544 PolarHBondContact O-N 2.8Å
545	T	95.9	Very high	96.9	Very high	13 Å²	13	15 Å²	15	8%	0.08	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-2.6	176.5	54.7	0	0	0	0	112.8	V525 K527 S542 A543 Q547	V525-T545 HydrophobicContact CG1-CG2 3.94Å; K527-T545 HydrophobicContact CD-CG2 4.31Å; S542-T545 VanDerWaalsContact CB-OG1 3.26Å; S542-T545 WeakPolarHBondContact CB-OG1 3.4Å; S542-T545 PolarHBondContact O-N 3.38Å; S542-T545 PolarHBondContact OG-OG1 2.61Å; A543-T545 VanDerWaalsContact C-N 3.29Å; A543-T545 PolarHBondContact O-N 2.86Å; T545-Q547 VanDerWaalsContact C-N 3.25Å; T545-Q547 PolarHBondContact O-N 3.06Å; T545-Q547 PolarHBondContact OG1-OE1 3.32Å
546	N	97.2	Very high	96.7	Very high	2 Å²	2	16 Å²	16	1%	0.011	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	47.7	-172.2	-161.8	40.4	0	0	0	112.6	K468 A471 V472 L473 Y541 S542 A543 K595	K468-N546 WeakPolarHBondContact CE-OD1 3.43Å; K468-N546 PolarHBondContact O-ND2 3.35Å; A471-N546 PolarHBondContact O-ND2 3.27Å; V472-N546 WeakPolarHBondContact CA-O 3.29Å; V472-N546 PolarHBondContact N-ND2 2.85Å; L473-N546 PolarHBondContact N-O 3.39Å; L473-N546 VanDerWaalsContact N-O 3.08Å; Y541-N546 PolarHBondContact OH-OD1 2.72Å; S542-N546 WeakPolarHBondContact O-CA 2.92Å; S542-N546 PolarHBondContact O-N 3.34Å; A543-N546 PolarHBondContact O-N 3.34Å; N546-K595 PolarHBondContact ND2-O 3.31Å
547	Q	97.4	Very high	96.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140	-176.1	-74.9	172.3	-6.3	0	0	111.9	L473 K527 E529 Y541 S542 T545 R549	L473-Q547 HydrophobicContact CB-CG 3.96Å; L473-Q547 CarbonylContact O-C 3.57Å; L473-Q547 WeakPolarHBondContact O-CA 3.49Å; K527-Q547 PolarHBondContact O-NE2 2.99Å; E529-Q547 PolarHBondContact O-NE2 3.48Å; Y541-Q547 CarbonylContact C-O 3.23Å; Y541-Q547 WeakPolarHBondContact CA-O 3.46Å; Y541-Q547 WeakPolarHBondContact CD2-O 3.39Å; S542-Q547 PolarHBondContact N-O 3.41Å; S542-Q547 PolarHBondContact O-N 3.31Å; T545-Q547 VanDerWaalsContact C-N 3.25Å; T545-Q547 PolarHBondContact O-N 3.06Å; T545-Q547 PolarHBondContact OG1-OE1 3.32Å; Q547-R549 VanDerWaalsContact OE1-NE 3.11Å
548	I	98.1	Very high	96.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	137.8	163.5	59.1	-179.8	0	0	0	109.6	I439 V472 L473 A474 K475 F540 Y541 F550 E581 F582	I439-I548 HydrophobicContact CG1-CD1 4.34Å; I439-I548 HydrophobicContact CG2-CD1 4.35Å; V472-I548 HydrophobicContact CG1-CD1 4.17Å; V472-I548 HydrophobicContact CG1-CG1 4.05Å; V472-I548 HydrophobicContact CG1-CG2 3.95Å; L473-I548 PolarHBondContact O-N 2.89Å; A474-I548 CarbonylContact C-O 3.41Å; A474-I548 WeakPolarHBondContact CA-O 3.47Å; A474-I548 HydrophobicContact CB-CD1 4.05Å; A474-I548 HydrophobicContact CB-CG1 3.8Å; K475-I548 PolarHBondContact N-O 3.23Å; F540-I548 CarbonylContact O-C 3.52Å; F540-I548 WeakPolarHBondContact O-CA 3.46Å; Y541-I548 HydrophobicContact CD2-CG2 3.88Å; I548-F550 HydrophobicContact CB-CE2 3.96Å; I548-F550 HydrophobicContact CB-CZ 4.1Å; I548-F550 HydrophobicContact CD1-CE2 3.74Å; I548-F550 HydrophobicContact CD1-CZ 4.04Å; I548-F550 HydrophobicContact CG1-CE2 3.73Å; I548-F550 HydrophobicContact CG1-CZ 4.24Å; I548-E581 HydrophobicContact CB-CB 4.11Å; I548-E581 HydrophobicContact CG2-CB 3.74Å; I548-E581 WeakPolarHBondContact CG2-O 3.21Å; I548-F582 HydrophobicContact CD1-CD2 4.44Å
549	R	97.6	Very high	96.3	Very high	35 Å²	35	15.5 Å²	15.5	13%	0.132	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	124.4	-168.5	-61.7	173.8	179.2	175.7	3.4	110.8	K475 W530 A539 F540 Q547	K475-R549 HydrophobicContact CB-CG 4.12Å; K475-R549 CarbonylContact O-C 3.58Å; K475-R549 WeakPolarHBondContact O-CA 3.44Å; W530-R549 HydrophobicContact CE3-CB 3.8Å; W530-R549 HydrophobicContact CE3-CG 3.77Å; W530-R549 HydrophobicContact CZ3-CB 3.85Å; W530-R549 HydrophobicContact CZ3-CG 4.33Å; A539-R549 WeakPolarHBondContact CA-O 3.41Å; F540-R549 HydrophobicContact CB-CB 4.43Å; F540-R549 PolarHBondContact N-O 2.84Å; F540-R549 PolarHBondContact O-N 2.77Å; Q547-R549 VanDerWaalsContact OE1-NE 3.11Å
550	F	97.7	Very high	96.2	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	91.2	-178.2	-53.9	-79.8	0	0	0	109.7	M435 I439 K475 V476 G477 A539 I548 L555 I574 I577 V578 E581	M435-F550 HydrophobicContact CE-CB 4.04Å; M435-F550 HydrophobicContact CE-CD1 4.05Å; M435-F550 HydrophobicContact CE-CD2 3.7Å; M435-F550 HydrophobicContact CE-CE2 4.18Å; M435-F550 HydrophobicContact CE-CG 3.63Å; I439-F550 HydrophobicContact CD1-CE2 4.29Å; I439-F550 HydrophobicContact CG1-CE2 4.44Å; K475-F550 PolarHBondContact O-N 3.47Å; V476-F550 CarbonylContact C-O 3.51Å; V476-F550 WeakPolarHBondContact CA-O 3.22Å; V476-F550 HydrophobicContact CG2-CD2 4.4Å; G477-F550 PolarHBondContact N-O 2.92Å; A539-F550 HydrophobicContact CB-CD1 3.67Å; A539-F550 HydrophobicContact CB-CE1 3.78Å; I548-F550 HydrophobicContact CB-CE2 3.96Å; I548-F550 HydrophobicContact CB-CZ 4.1Å; I548-F550 HydrophobicContact CD1-CE2 3.74Å; I548-F550 HydrophobicContact CD1-CZ 4.04Å; I548-F550 HydrophobicContact CG1-CE2 3.73Å; I548-F550 HydrophobicContact CG1-CZ 4.24Å; F550-L555 HydrophobicContact CB-CD2 4.41Å; F550-I574 HydrophobicContact CD1-CD1 4.38Å; F550-I577 HydrophobicContact CD1-CG2 4.48Å; F550-I577 HydrophobicContact CE1-CG2 4.14Å; F550-V578 HydrophobicContact CE1-CB 4.46Å; F550-V578 HydrophobicContact CE1-CG2 3.85Å; F550-V578 HydrophobicContact CE2-CG2 4.17Å; F550-V578 HydrophobicContact CZ-CB 4.11Å; F550-V578 HydrophobicContact CZ-CG1 4.37Å; F550-V578 HydrophobicContact CZ-CG2 3.67Å; F550-E581 HydrophobicContact CE1-CB 4.42Å; F550-E581 HydrophobicContact CE1-CG 3.96Å; F550-E581 HydrophobicContact CZ-CB 4.19Å; F550-E581 HydrophobicContact CZ-CG 4.23Å
551	P	97.6	Very high	95.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	153.1	-179.8	-16.7	31.9	0	0	0	112.6	G477 T532 P534 T536 N538 F540 G553 E554	G477-P551 CarbonylContact O-C 3.56Å; G477-P551 WeakPolarHBondContact O-CA 3.42Å; T532-P551 HydrophobicContact CG2-CG 3.62Å; P534-P551 WeakPolarHBondContact O-CB 3.42Å; T536-P551 WeakPolarHBondContact O-CB 3Å; N538-P551 WeakPolarHBondContact O-CD 3.31Å; N538-P551 WeakPolarHBondContact O-CG 3.44Å; F540-P551 HydrophobicContact CE2-CG 4.33Å; P551-G553 PolarHBondContact O-N 3.26Å; P551-G553 VanDerWaalsContact O-N 3.15Å; P551-E554 PolarHBondContact O-N 2.92Å; P551-E554 VanDerWaalsContact O-N 3.13Å
552	A	97.4	Very high	95.5	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.008	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.5	-178.5	0	0	0	0	0	113.8	F422 V423 F427 G477 P534 E554 L555	F422-A552 HydrophobicContact CD1-CB 4.38Å; F422-A552 HydrophobicContact CE1-CB 4.14Å; V423-A552 HydrophobicContact CG2-CB 4.06Å; F427-A552 HydrophobicContact CB-CB 4.41Å; F427-A552 HydrophobicContact CD2-CB 3.48Å; F427-A552 VanDerWaalsContact CD2-CB 3.48Å; F427-A552 HydrophobicContact CE2-CB 3.97Å; F427-A552 HydrophobicContact CG-CB 4.04Å; G477-A552 PolarHBondContact O-N 3.28Å; P534-A552 CarbonylContact O-C 3.28Å; P534-A552 PolarHBondContact O-N 3.03Å; P534-A552 VanDerWaalsContact O-N 3.08Å; A552-E554 VanDerWaalsContact C-N 3.3Å; A552-E554 PolarHBondContact O-N 2.85Å; A552-L555 PolarHBondContact O-N 3.24Å
553	G	96.8	Very high	95.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-35.7	178.1	0	0	0	0	0	113.4	P534 P551 Q556	P534-G553 PolarHBondContact O-N 3.17Å; P551-G553 PolarHBondContact O-N 3.26Å; P551-G553 VanDerWaalsContact O-N 3.15Å; G553-Q556 PolarHBondContact O-NE2 3.39Å
554	E	96.4	Very high	95	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-21.6	178	-168.2	170.8	-142.7	0	0	113.2	Y104 T536 A539 P551 A552 Q556 F559	Y104-E554 WeakPolarHBondContact CE1-OE1 3.01Å; Y104-E554 PolarHBondContact OH-OE1 3.31Å; Y104-E554 VanDerWaalsContact OH-OE1 3.09Å; T536-E554 PolarHBondContact O-N 2.77Å; A539-E554 WeakPolarHBondContact CB-OE2 3.36Å; A539-E554 PolarHBondContact N-OE2 3.5Å; A539-E554 VanDerWaalsContact N-OE2 3.07Å; P551-E554 PolarHBondContact O-N 2.92Å; P551-E554 VanDerWaalsContact O-N 3.13Å; A552-E554 VanDerWaalsContact C-N 3.3Å; A552-E554 PolarHBondContact O-N 2.85Å; E554-Q556 PolarHBondContact O-N 3.16Å; E554-F559 HydrophobicContact CG-CB 4.39Å; E554-F559 HydrophobicContact CG-CD1 4.45Å; E554-F559 HydrophobicContact CG-CG 4.32Å; E554-F559 WeakPolarHBondContact O-CB 3.5Å
555	L	96.1	Very high	95	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-79.1	56.3	-175.6	-59.2	178.8	0	0	0	112.3	F427 K431 M435 V476 F550 A552 F560 I574	F427-L555 HydrophobicContact CE2-CB 4.36Å; F427-L555 HydrophobicContact CE2-CD1 3.8Å; F427-L555 HydrophobicContact CZ-CD1 4.28Å; K431-L555 HydrophobicContact CD-CB 4.32Å; K431-L555 PolarHBondContact NZ-O 3.04Å; M435-L555 HydrophobicContact CE-CD2 4.31Å; M435-L555 HydrophobicContact CG-CD1 4.41Å; M435-L555 HydrophobicContact CG-CD2 4.12Å; M435-L555 HydrophobicContact SD-CD2 3.74Å; V476-L555 HydrophobicContact CG1-CD1 3.65Å; F550-L555 HydrophobicContact CB-CD2 4.41Å; A552-L555 PolarHBondContact O-N 3.24Å; L555-F560 HydrophobicContact CD2-CD2 4.16Å; L555-I574 HydrophobicContact CD2-CD1 4.01Å; L555-I574 HydrophobicContact CD2-CG1 4.33Å
556	Q	93.9	Very high	95	Very high	23 Å²	23	18 Å²	18	11%	0.107	9%	0.091	C	C	.	.	S	Bend	trans	-141.5	159.7	-177.7	-60.7	-177.6	82.7	0	0	110	L107 G553 E554 F559 F560	L107-Q556 HydrophobicContact CD1-CB 3.9Å; L107-Q556 HydrophobicContact CD2-CB 4.25Å; G553-Q556 PolarHBondContact O-NE2 3.39Å; E554-Q556 PolarHBondContact O-N 3.16Å; Q556-F559 WeakPolarHBondContact O-CA 3.26Å; Q556-F559 WeakPolarHBondContact O-CB 3.42Å; Q556-F559 PolarHBondContact O-N 2.77Å; Q556-F560 CarbonylContact C-O 3.48Å; Q556-F560 PolarHBondContact O-N 3.26Å
557	K	92.2	Very high	95	Very high	69 Å²	69	19.4 Å²	19.4	30%	0.3	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	145	174.5	-68.5	175.9	179.9	172.8	0	110.8	E61 F560 W561 Y565	E61-K557 IonicContact OE1-NZ 3.36Å; E61-K557 PolarHBondContact OE1-NZ 3.41Å; E61-K557 IonicContact OE2-NZ 2.68Å; E61-K557 PolarHBondContact OE2-NZ 3.08Å; K557-F560 WeakPolarHBondContact CG-O 3.37Å; K557-F560 PolarHBondContact N-O 2.9Å; K557-W561 HydrophobicContact CD-CE3 4.32Å; K557-W561 HydrophobicContact CD-CZ3 4.44Å; K557-W561 HydrophobicContact CG-CE3 4.25Å; K557-Y565 VanDerWaalsContact CE-CZ 3.47Å; K557-Y565 WeakPolarHBondContact CE-OH 3.29Å; K557-Y565 PolarHBondContact NZ-OH 3.21Å
558	P	93.3	Very high	95	Very high	10 Å²	10	19.4 Å²	19.4	7%	0.065	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.5	10.4	0.2	37.2	-36.9	0	0	0	114.2	V103 W561 V691	V103-P558 HydrophobicContact CG1-CG 3.47Å; V103-P558 VanDerWaalsContact CG1-CG 3.47Å; P558-W561 HydrophobicContact CB-CH2 4.42Å; P558-W561 HydrophobicContact CB-CZ2 3.78Å; P558-W561 PolarHBondContact O-NE1 3.4Å; P558-V691 HydrophobicContact CG-CG1 4.5Å
559	F	94.9	Very high	94.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-47.2	178.9	-63.3	-89.5	0	0	0	110.7	V103 Y104 L107 E554 Q556 A573 I574 I577 V691	V103-F559 HydrophobicContact CG1-CE2 3.71Å; V103-F559 HydrophobicContact CG1-CZ 3.85Å; Y104-F559 HydrophobicContact CD1-CE1 4.22Å; Y104-F559 AromaticContact CD1-CZ 3.85Å; Y104-F559 HydrophobicContact CD1-CZ 3.85Å; Y104-F559 AromaticContact CD2-CE1 3.94Å; Y104-F559 HydrophobicContact CD2-CE1 3.94Å; Y104-F559 AromaticContact CD2-CZ 3.7Å; Y104-F559 HydrophobicContact CD2-CZ 3.7Å; Y104-F559 AromaticContact CE1-CE1 3.71Å; Y104-F559 HydrophobicContact CE1-CE1 3.71Å; Y104-F559 AromaticContact CE1-CZ 3.82Å; Y104-F559 HydrophobicContact CE1-CZ 3.82Å; Y104-F559 AromaticContact CE2-CE1 3.42Å; Y104-F559 HydrophobicContact CE2-CE1 3.42Å; Y104-F559 VanDerWaalsContact CE2-CE1 3.42Å; Y104-F559 AromaticContact CE2-CZ 3.7Å; Y104-F559 HydrophobicContact CE2-CZ 3.7Å; Y104-F559 HydrophobicContact CG-CE1 4.31Å; Y104-F559 AromaticContact CG-CZ 3.78Å; Y104-F559 HydrophobicContact CG-CZ 3.78Å; Y104-F559 AromaticContact CZ-CE1 3.27Å; Y104-F559 AromaticContact CZ-CZ 3.75Å; Y104-F559 WeakPolarHBondContact OH-CE1 3.49Å; L107-F559 HydrophobicContact CB-CE2 4.13Å; L107-F559 HydrophobicContact CD2-CD2 3.33Å; L107-F559 HydrophobicContact CD2-CE2 3.55Å; L107-F559 HydrophobicContact CD2-CG 4.41Å; L107-F559 HydrophobicContact CG-CE2 4.48Å; E554-F559 HydrophobicContact CG-CB 4.39Å; E554-F559 HydrophobicContact CG-CD1 4.45Å; E554-F559 HydrophobicContact CG-CG 4.32Å; E554-F559 WeakPolarHBondContact O-CB 3.5Å; Q556-F559 WeakPolarHBondContact O-CA 3.26Å; Q556-F559 WeakPolarHBondContact O-CB 3.42Å; Q556-F559 PolarHBondContact O-N 2.77Å; F559-A573 VanDerWaalsContact O-CB 3.24Å; F559-A573 WeakPolarHBondContact O-CB 3.27Å; F559-I574 WeakPolarHBondContact O-CB 3.25Å; F559-I574 WeakPolarHBondContact O-CG2 3.41Å; F559-I574 PolarHBondContact O-N 3.43Å; F559-I577 HydrophobicContact CD1-CD1 3.53Å; F559-I577 HydrophobicContact CE1-CD1 4.13Å; F559-V691 HydrophobicContact CD1-CB 3.85Å; F559-V691 HydrophobicContact CD1-CG1 3.63Å; F559-V691 HydrophobicContact CE1-CB 3.53Å; F559-V691 HydrophobicContact CE1-CG1 3.81Å; F559-V691 HydrophobicContact CG-CG1 4.14Å; F559-V691 HydrophobicContact CZ-CB 4.2Å; F559-V691 HydrophobicContact CZ-CG1 4.44Å
560	F	94.6	Very high	94.9	Very high	14 Å²	14	17.8 Å²	17.8	6%	0.061	9%	0.09	C	C	.	.			trans	-116	112.5	178.3	-172	-84.2	0	0	0	110.4	K431 M434 M435 L555 Q556 K557 I574	K431-F560 HydrophobicContact CB-CE1 4.22Å; K431-F560 HydrophobicContact CB-CZ 3.93Å; K431-F560 HydrophobicContact CD-CD1 4.46Å; K431-F560 HydrophobicContact CD-CE1 4.23Å; K431-F560 HydrophobicContact CG-CD1 4.48Å; K431-F560 HydrophobicContact CG-CE1 3.78Å; K431-F560 HydrophobicContact CG-CZ 4.02Å; M434-F560 HydrophobicContact CB-CE2 4.18Å; M434-F560 HydrophobicContact CB-CZ 3.94Å; M434-F560 HydrophobicContact CE-CE2 4.18Å; M434-F560 HydrophobicContact CE-CZ 4.32Å; M434-F560 HydrophobicContact CG-CE2 3.99Å; M434-F560 HydrophobicContact CG-CZ 4Å; M434-F560 HydrophobicContact SD-CE1 4.12Å; M434-F560 HydrophobicContact SD-CE2 3.77Å; M434-F560 HydrophobicContact SD-CZ 3.43Å; M434-F560 WeakPolarHBondContact SD-CZ 3.41Å; M435-F560 HydrophobicContact CG-CE2 4.08Å; M435-F560 HydrophobicContact SD-CD2 4.15Å; M435-F560 HydrophobicContact SD-CE2 4.13Å; L555-F560 HydrophobicContact CD2-CD2 4.16Å; Q556-F560 CarbonylContact C-O 3.48Å; Q556-F560 PolarHBondContact O-N 3.26Å; K557-F560 WeakPolarHBondContact CG-O 3.37Å; K557-F560 PolarHBondContact N-O 2.9Å; F560-I574 HydrophobicContact CD2-CG1 4.47Å; F560-I574 HydrophobicContact CD2-CG2 4.14Å
561	W	92.1	Very high	94.9	Very high	14 Å²	14	18 Å²	18	5%	0.053	9%	0.091	C	C	.	.			trans	-88.9	-28.8	-178.4	-66.5	90	0	0	0	113.3	A62 A65 K557 P558 Y565 L569	A62-W561 HydrophobicContact CB-CZ3 4.4Å; A65-W561 HydrophobicContact CB-CH2 4.4Å; K557-W561 HydrophobicContact CD-CE3 4.32Å; K557-W561 HydrophobicContact CD-CZ3 4.44Å; K557-W561 HydrophobicContact CG-CE3 4.25Å; P558-W561 HydrophobicContact CB-CH2 4.42Å; P558-W561 HydrophobicContact CB-CZ2 3.78Å; P558-W561 PolarHBondContact O-NE1 3.4Å; W561-Y565 HydrophobicContact CB-CD1 4.44Å; W561-Y565 HydrophobicContact CB-CD2 4.27Å; W561-Y565 HydrophobicContact CB-CG 3.9Å; W561-Y565 HydrophobicContact CD2-CD1 4.41Å; W561-Y565 AromaticContact CE3-CD1 3.52Å; W561-Y565 HydrophobicContact CE3-CD1 3.52Å; W561-Y565 AromaticContact CE3-CE1 3.78Å; W561-Y565 HydrophobicContact CE3-CE1 3.78Å; W561-Y565 HydrophobicContact CE3-CG 4.14Å; W561-Y565 HydrophobicContact CZ3-CD1 4.18Å; W561-Y565 HydrophobicContact CZ3-CE1 4.14Å; W561-Y565 WeakPolarHBondContact O-CD2 3.47Å; W561-Y565 VanDerWaalsContact O-CE2 3.31Å; W561-Y565 WeakPolarHBondContact O-CE2 3.38Å; W561-L569 HydrophobicContact CD2-CB 4.21Å; W561-L569 HydrophobicContact CD2-CD1 4.19Å; W561-L569 HydrophobicContact CE3-CD1 4.35Å; W561-L569 HydrophobicContact CG-CB 3.93Å
562	G	90.3	Very high	95	Very high	14 Å²	14	18 Å²	18	14%	0.144	9%	0.091	C	C	.	.			trans	89.9	-177.1	-175.4	0	0	0	0	0	113.3	M434	M434-G562 VanDerWaalsContact SD-C 3.57Å
563	T	90.1	Very high	95	Very high	75 Å²	75	17.9 Å²	17.9	46%	0.46	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-20.3	-172	58.6	0	0	0	0	114.7	M434 Y565 R567	M434-T563 HydrophobicContact SD-CG2 4.14Å; T563-Y565 VanDerWaalsContact C-N 3.28Å; T563-Y565 PolarHBondContact O-N 3.3Å; T563-R567 VanDerWaalsContact CG2-NH2 3.26Å
564	E	91.6	Very high	95	Very high	92 Å²	92	17.9 Å²	17.9	43%	0.43	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-8.1	179.9	-63.8	-50.9	124.2	0	0	113.8	K56 E58	K56-E564 IonicContact NZ-OE2 2.89Å; K56-E564 PolarHBondContact NZ-OE2 2.86Å; E58-E564 HydrophobicContact CB-CB 4.36Å; E58-E564 HydrophobicContact CG-CB 3.8Å
565	Y	94.7	Very high	95.1	Very high	22 Å²	22	17.9 Å²	17.9	9%	0.086	9%	0.09	C	C	.	.	S	Bend	trans	-100.7	155.6	178.6	-67.6	-101	0	0	0	110.3	E58 E61 A62 K557 W561 T563 R567	E58-Y565 HydrophobicContact CB-CD1 4.2Å; E58-Y565 HydrophobicContact CB-CD2 4.19Å; E58-Y565 HydrophobicContact CB-CE1 3.78Å; E58-Y565 HydrophobicContact CB-CE2 3.74Å; E58-Y565 HydrophobicContact CB-CG 4.37Å; E58-Y565 VanDerWaalsContact CB-CZ 3.47Å; E58-Y565 HydrophobicContact CG-CD2 4.4Å; E58-Y565 HydrophobicContact CG-CE1 4.49Å; E58-Y565 HydrophobicContact CG-CE2 3.68Å; E58-Y565 WeakPolarHBondContact CG-OH 3.35Å; E58-Y565 WeakPolarHBondContact O-CE1 3.37Å; E61-Y565 PolarHBondContact OE2-OH 3.24Å; A62-Y565 HydrophobicContact CB-CD1 3.95Å; A62-Y565 HydrophobicContact CB-CE1 4.21Å; K557-Y565 VanDerWaalsContact CE-CZ 3.47Å; K557-Y565 WeakPolarHBondContact CE-OH 3.29Å; K557-Y565 PolarHBondContact NZ-OH 3.21Å; W561-Y565 HydrophobicContact CB-CD1 4.44Å; W561-Y565 HydrophobicContact CB-CD2 4.27Å; W561-Y565 HydrophobicContact CB-CG 3.9Å; W561-Y565 HydrophobicContact CD2-CD1 4.41Å; W561-Y565 AromaticContact CE3-CD1 3.52Å; W561-Y565 HydrophobicContact CE3-CD1 3.52Å; W561-Y565 AromaticContact CE3-CE1 3.78Å; W561-Y565 HydrophobicContact CE3-CE1 3.78Å; W561-Y565 HydrophobicContact CE3-CG 4.14Å; W561-Y565 HydrophobicContact CZ3-CD1 4.18Å; W561-Y565 HydrophobicContact CZ3-CE1 4.14Å; W561-Y565 WeakPolarHBondContact O-CD2 3.47Å; W561-Y565 VanDerWaalsContact O-CE2 3.31Å; W561-Y565 WeakPolarHBondContact O-CE2 3.38Å; T563-Y565 VanDerWaalsContact C-N 3.28Å; T563-Y565 PolarHBondContact O-N 3.3Å; Y565-R567 PolarHBondContact O-N 3.26Å
566	P	95.4	Very high	95.2	Very high	8 Å²	8	17.9 Å²	17.9	5%	0.052	9%	0.09	C	C	.	.			trans	-51.9	132.7	171.4	-26.4	34.6	0	0	0	111.7	S568 L569 E670 L673	P566-S568 PolarHBondContact O-N 3.23Å; P566-L569 HydrophobicContact CB-CG 4.5Å; P566-L569 PolarHBondContact O-N 3.06Å; P566-L569 VanDerWaalsContact O-N 3.11Å; P566-E670 WeakPolarHBondContact CA-OE1 3.28Å; P566-L673 HydrophobicContact CG-CD2 3.69Å; P566-L673 HydrophobicContact CG-CG 4.29Å
567	R	96.1	Very high	95.5	Very high	30 Å²	30	17 Å²	17	11%	0.113	9%	0.086	C	C	.	.	H	α-helix	trans	-63.2	-28.8	-179.5	-66.3	-49	-171	163.4	5.7	112	M434 T563 Y565 L569 S570 Y571 Y657 W660 E670	M434-R567 VanDerWaalsContact CE-NH1 3.35Å; M434-R567 PolarHBondContact SD-NH1 3.11Å; T563-R567 VanDerWaalsContact CG2-NH2 3.26Å; Y565-R567 PolarHBondContact O-N 3.26Å; R567-L569 PolarHBondContact O-N 3.45Å; R567-S570 PolarHBondContact O-N 3.39Å; R567-Y571 HydrophobicContact CB-CD2 4Å; R567-Y571 HydrophobicContact CB-CE2 4.2Å; R567-Y571 WeakPolarHBondContact O-CD2 3.41Å; R567-Y571 PolarHBondContact O-N 3.25Å; R567-Y657 HydrophobicContact CB-CD2 4.3Å; R567-Y657 HydrophobicContact CB-CE2 3.93Å; R567-W660 HydrophobicContact CB-CD2 4.39Å; R567-W660 HydrophobicContact CB-CE3 3.97Å; R567-W660 HydrophobicContact CB-CH2 4.03Å; R567-W660 HydrophobicContact CB-CZ2 4.43Å; R567-W660 HydrophobicContact CB-CZ3 3.75Å; R567-W660 HydrophobicContact CG-CD2 4.1Å; R567-W660 HydrophobicContact CG-CE3 3.97Å; R567-W660 HydrophobicContact CG-CH2 3.26Å; R567-W660 HydrophobicContact CG-CZ2 3.4Å; R567-W660 VanDerWaalsContact CG-CZ2 3.4Å; R567-W660 HydrophobicContact CG-CZ3 3.54Å; R567-E670 PolarHBondContact N-OE1 2.9Å; R567-E670 PolarHBondContact N-OE2 2.76Å
568	S	97.6	Very high	95.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-45.8	-44.7	169.4	50	0	0	0	0	113.3	P566 G572 Y657 E670 N680 F684	P566-S568 PolarHBondContact O-N 3.23Å; S568-G572 PolarHBondContact O-N 3.39Å; S568-Y657 WeakPolarHBondContact CB-OH 3.35Å; S568-E670 PolarHBondContact N-OE2 2.6Å; S568-E670 VanDerWaalsContact N-OE2 3.17Å; S568-N680 WeakPolarHBondContact CB-O 3.36Å; S568-F684 WeakPolarHBondContact O-CA 3.35Å
569	L	97.6	Very high	96	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-67.6	-41.7	-179.6	-56.1	-179.8	0	0	0	111.9	A62 I66 W561 P566 R567 G572 A573 L683 S687	A62-L569 HydrophobicContact CB-CD1 3.78Å; I66-L569 HydrophobicContact CD1-CD1 4.46Å; I66-L569 HydrophobicContact CD1-CD2 3.78Å; W561-L569 HydrophobicContact CD2-CB 4.21Å; W561-L569 HydrophobicContact CD2-CD1 4.19Å; W561-L569 HydrophobicContact CE3-CD1 4.35Å; W561-L569 HydrophobicContact CG-CB 3.93Å; P566-L569 HydrophobicContact CB-CG 4.5Å; P566-L569 PolarHBondContact O-N 3.06Å; P566-L569 VanDerWaalsContact O-N 3.11Å; R567-L569 PolarHBondContact O-N 3.45Å; L569-G572 PolarHBondContact O-N 3.39Å; L569-A573 WeakPolarHBondContact O-CB 3.37Å; L569-A573 PolarHBondContact O-N 3.33Å; L569-L683 HydrophobicContact CD2-CB 3.94Å; L569-S687 WeakPolarHBondContact O-CB 3.39Å; L569-S687 PolarHBondContact O-OG 3.25Å
570	S	97	Very high	96.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-70.5	-47	-178.8	-62	0	0	0	0	112.1	M434 R567 G572 A573 I574 G575	M434-S570 WeakPolarHBondContact CE-OG 3.43Å; R567-S570 PolarHBondContact O-N 3.39Å; S570-G572 VanDerWaalsContact C-N 3.28Å; S570-G572 PolarHBondContact O-N 2.95Å; S570-A573 CarbonylContact O-C 3.59Å; S570-A573 PolarHBondContact O-N 3.24Å; S570-I574 WeakPolarHBondContact O-CG2 3.34Å; S570-I574 PolarHBondContact O-N 3.34Å; S570-I574 VanDerWaalsContact O-N 3.15Å; S570-G575 PolarHBondContact O-N 3.34Å
571	Y	98.2	Very high	96.4	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.016	7%	0.07	C	C	.	.	I	π-helix	trans	-64	-36.1	175.1	-83.3	-86.4	0	0	0	111.3	E437 L438 R567 G575 V576 A653 A656 Y657 W660 F684	E437-Y571 PolarHBondContact OE1-OH 2.91Å; L438-Y571 HydrophobicContact CD2-CD1 3.73Å; L438-Y571 HydrophobicContact CD2-CD2 4.09Å; L438-Y571 HydrophobicContact CD2-CE1 3.61Å; L438-Y571 HydrophobicContact CD2-CE2 3.97Å; L438-Y571 HydrophobicContact CD2-CG 3.97Å; R567-Y571 HydrophobicContact CB-CD2 4Å; R567-Y571 HydrophobicContact CB-CE2 4.2Å; R567-Y571 WeakPolarHBondContact O-CD2 3.41Å; R567-Y571 PolarHBondContact O-N 3.25Å; Y571-G575 CarbonylContact O-C 3.55Å; Y571-G575 WeakPolarHBondContact O-CA 3.47Å; Y571-V576 WeakPolarHBondContact O-CG2 3.4Å; Y571-V576 PolarHBondContact O-N 3.18Å; Y571-A653 WeakPolarHBondContact CD1-O 3.37Å; Y571-A656 HydrophobicContact CD1-CB 4.17Å; Y571-A656 HydrophobicContact CE1-CB 3.71Å; Y571-Y657 AromaticContact CD2-CD2 3.64Å; Y571-Y657 HydrophobicContact CD2-CD2 3.64Å; Y571-Y657 HydrophobicContact CD2-CG 4.15Å; Y571-Y657 HydrophobicContact CE2-CD2 4.2Å; Y571-Y657 HydrophobicContact CG-CD2 4.05Å; Y571-Y657 HydrophobicContact CG-CG 4.08Å; Y571-W660 HydrophobicContact CE2-CB 4.17Å; Y571-W660 HydrophobicContact CE2-CG 4.1Å; Y571-F684 WeakPolarHBondContact O-CE2 3.38Å
572	G	98.1	Very high	96.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-71.7	-26.3	177.3	0	0	0	0	0	114.4	S568 L569 S570 V576 F684 Y688	S568-G572 PolarHBondContact O-N 3.39Å; L569-G572 PolarHBondContact O-N 3.39Å; S570-G572 VanDerWaalsContact C-N 3.28Å; S570-G572 PolarHBondContact O-N 2.95Å; G572-V576 WeakPolarHBondContact O-CG2 3.4Å; G572-F684 VanDerWaalsContact CA-CD2 3.42Å; G572-F684 WeakPolarHBondContact CA-O 3.29Å; G572-F684 VanDerWaalsContact N-CD2 3.27Å; G572-Y688 WeakPolarHBondContact O-CA 3.11Å; G572-Y688 VanDerWaalsContact O-CB 3.25Å; G572-Y688 WeakPolarHBondContact O-CB 3.43Å; G572-Y688 PolarHBondContact O-N 2.67Å
573	A	97.6	Very high	97.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-99.2	-95.2	176.8	0	0	0	0	0	111.5	F559 L569 S570 G575 V576 I577 S687 V691	F559-A573 VanDerWaalsContact O-CB 3.24Å; F559-A573 WeakPolarHBondContact O-CB 3.27Å; L569-A573 WeakPolarHBondContact O-CB 3.37Å; L569-A573 PolarHBondContact O-N 3.33Å; S570-A573 CarbonylContact O-C 3.59Å; S570-A573 PolarHBondContact O-N 3.24Å; A573-G575 PolarHBondContact O-N 3.39Å; A573-V576 PolarHBondContact O-N 3.44Å; A573-V576 VanDerWaalsContact O-N 3.1Å; A573-I577 PolarHBondContact O-N 2.94Å; A573-I577 VanDerWaalsContact O-N 3.16Å; A573-S687 WeakPolarHBondContact CB-OG 3.38Å; A573-V691 HydrophobicContact CB-CG1 3.8Å
574	I	98.1	Very high	97.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.043	C	C	.	.	I	π-helix	trans	-59.7	-31.8	-177.6	-170.4	64.1	0	0	0	113	M435 L438 F550 L555 F559 F560 S570 V576 I577 V578	M435-I574 HydrophobicContact CE-CD1 4.25Å; M435-I574 HydrophobicContact CE-CG1 3.97Å; M435-I574 HydrophobicContact SD-CD1 4.21Å; M435-I574 HydrophobicContact SD-CG1 3.48Å; M435-I574 WeakPolarHBondContact SD-CG1 3.37Å; L438-I574 HydrophobicContact CD1-CG2 3.56Å; F550-I574 HydrophobicContact CD1-CD1 4.38Å; L555-I574 HydrophobicContact CD2-CD1 4.01Å; L555-I574 HydrophobicContact CD2-CG1 4.33Å; F559-I574 WeakPolarHBondContact O-CB 3.25Å; F559-I574 WeakPolarHBondContact O-CG2 3.41Å; F559-I574 PolarHBondContact O-N 3.43Å; F560-I574 HydrophobicContact CD2-CG1 4.47Å; F560-I574 HydrophobicContact CD2-CG2 4.14Å; S570-I574 WeakPolarHBondContact O-CG2 3.34Å; S570-I574 PolarHBondContact O-N 3.34Å; S570-I574 VanDerWaalsContact O-N 3.15Å; I574-V576 PolarHBondContact O-N 2.88Å; I574-I577 HydrophobicContact CD1-CB 4.31Å; I574-I577 HydrophobicContact CD1-CG2 4.45Å; I574-I577 PolarHBondContact O-N 2.91Å; I574-I577 VanDerWaalsContact O-N 3.17Å; I574-V578 WeakPolarHBondContact O-CG2 3.01Å; I574-V578 PolarHBondContact O-N 3.5Å
575	G	98.4	Very high	97.8	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	2%	0.022	C	C	.	.	I	π-helix	trans	-62.1	-42.3	174.9	0	0	0	0	0	112.7	S570 Y571 A573 I577 V578 G579 A653	S570-G575 PolarHBondContact O-N 3.34Å; Y571-G575 CarbonylContact O-C 3.55Å; Y571-G575 WeakPolarHBondContact O-CA 3.47Å; A573-G575 PolarHBondContact O-N 3.39Å; G575-I577 VanDerWaalsContact C-N 3.32Å; G575-I577 PolarHBondContact O-N 2.99Å; G575-V578 PolarHBondContact O-N 3.15Å; G575-G579 PolarHBondContact O-N 3.01Å; G575-A653 VanDerWaalsContact C-CB 3.47Å
576	V	98.6	Very high	98	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-66.8	-34.9	173.9	179.1	0	0	0	0	111.4	Y571 G572 A573 I574 G579 H580 L650 A653 F684 Y688	Y571-V576 WeakPolarHBondContact O-CG2 3.4Å; Y571-V576 PolarHBondContact O-N 3.18Å; G572-V576 WeakPolarHBondContact O-CG2 3.4Å; A573-V576 PolarHBondContact O-N 3.44Å; A573-V576 VanDerWaalsContact O-N 3.1Å; I574-V576 PolarHBondContact O-N 2.88Å; V576-G579 CarbonylContact O-C 3.54Å; V576-G579 PolarHBondContact O-N 3.27Å; V576-H580 WeakPolarHBondContact O-CB 3.42Å; V576-H580 PolarHBondContact O-N 3.46Å; V576-L650 HydrophobicContact CG1-CB 4.39Å; V576-L650 HydrophobicContact CG2-CD1 4.05Å; V576-A653 HydrophobicContact CB-CB 4.29Å; V576-A653 HydrophobicContact CG2-CB 3.69Å; V576-F684 HydrophobicContact CG2-CE1 4.49Å; V576-F684 HydrophobicContact CG2-CE2 4.34Å; V576-F684 HydrophobicContact CG2-CZ 3.79Å; V576-Y688 HydrophobicContact CB-CD2 3.97Å; V576-Y688 HydrophobicContact CB-CE2 4.5Å; V576-Y688 HydrophobicContact CG1-CD2 3.5Å; V576-Y688 VanDerWaalsContact CG1-CD2 3.5Å; V576-Y688 HydrophobicContact CG1-CE2 3.54Å; V576-Y688 HydrophobicContact CG2-CD2 3.87Å
577	I	98.5	Very high	98.1	Very high	5 Å²	5	4.2 Å²	4.2	3%	0.026	2%	0.019	C	C	.	.	H	α-helix	trans	-67.1	-40.1	175.5	-63.6	169.3	0	0	0	110.5	A539 F550 F559 A573 I574 G575 G579 H580 E581	A539-I577 HydrophobicContact CB-CG2 3.57Å; F550-I577 HydrophobicContact CD1-CG2 4.48Å; F550-I577 HydrophobicContact CE1-CG2 4.14Å; F559-I577 HydrophobicContact CD1-CD1 3.53Å; F559-I577 HydrophobicContact CE1-CD1 4.13Å; A573-I577 PolarHBondContact O-N 2.94Å; A573-I577 VanDerWaalsContact O-N 3.16Å; I574-I577 HydrophobicContact CD1-CB 4.31Å; I574-I577 HydrophobicContact CD1-CG2 4.45Å; I574-I577 PolarHBondContact O-N 2.91Å; I574-I577 VanDerWaalsContact O-N 3.17Å; G575-I577 VanDerWaalsContact C-N 3.32Å; G575-I577 PolarHBondContact O-N 2.99Å; I577-G579 VanDerWaalsContact C-N 3.33Å; I577-G579 PolarHBondContact O-N 3.33Å; I577-H580 WeakPolarHBondContact O-CB 3.24Å; I577-H580 PolarHBondContact O-N 2.93Å; I577-E581 WeakPolarHBondContact O-CG 3.24Å; I577-E581 PolarHBondContact O-N 2.8Å
578	V	98.7	Very high	98.1	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-59	-46.5	171.9	172	0	0	0	0	110.7	M435 L438 I439 V442 F550 I574 G575 F582	M435-V578 HydrophobicContact CE-CG2 3.58Å; L438-V578 HydrophobicContact CB-CG2 4.5Å; I439-V578 HydrophobicContact CB-CG1 4.36Å; I439-V578 HydrophobicContact CG1-CG1 3.75Å; I439-V578 HydrophobicContact CG1-CG2 4.3Å; V442-V578 HydrophobicContact CB-CG1 3.96Å; V442-V578 HydrophobicContact CG1-CG1 4.11Å; V442-V578 HydrophobicContact CG2-CB 4.34Å; V442-V578 HydrophobicContact CG2-CG1 3.94Å; F550-V578 HydrophobicContact CE1-CB 4.46Å; F550-V578 HydrophobicContact CE1-CG2 3.85Å; F550-V578 HydrophobicContact CE2-CG2 4.17Å; F550-V578 HydrophobicContact CZ-CB 4.11Å; F550-V578 HydrophobicContact CZ-CG1 4.37Å; F550-V578 HydrophobicContact CZ-CG2 3.67Å; I574-V578 WeakPolarHBondContact O-CG2 3.01Å; I574-V578 PolarHBondContact O-N 3.5Å; G575-V578 PolarHBondContact O-N 3.15Å; V578-F582 VanDerWaalsContact O-CB 3.27Å; V578-F582 WeakPolarHBondContact O-CB 3.44Å; V578-F582 PolarHBondContact O-N 3.39Å
579	G	98.7	Very high	97.9	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-58.5	-46.3	172.9	0	0	0	0	0	113	G575 V576 I577 E581 F582 T583 E652	G575-G579 PolarHBondContact O-N 3.01Å; V576-G579 CarbonylContact O-C 3.54Å; V576-G579 PolarHBondContact O-N 3.27Å; I577-G579 VanDerWaalsContact C-N 3.33Å; I577-G579 PolarHBondContact O-N 3.33Å; G579-E581 PolarHBondContact O-N 3.01Å; G579-F582 WeakPolarHBondContact O-CB 3.47Å; G579-F582 PolarHBondContact O-N 3.46Å; G579-F582 VanDerWaalsContact O-N 3.13Å; G579-T583 WeakPolarHBondContact O-CB 3.47Å; G579-T583 PolarHBondContact O-N 2.85Å; G579-T583 PolarHBondContact O-OG1 3.41Å; G579-E652 WeakPolarHBondContact CA-OE2 3.47Å
580	H	98.8	Very high	97.9	Very high	4 Å²	4	7.9 Å²	7.9	2%	0.019	4%	0.041	C	C	.	.	H	α-helix	trans	-56.3	-52.1	179	-174.7	103.2	0	0	0	111.4	V576 I577 F582 T583 H584 E642 A645 D646	V576-H580 WeakPolarHBondContact O-CB 3.42Å; V576-H580 PolarHBondContact O-N 3.46Å; I577-H580 WeakPolarHBondContact O-CB 3.24Å; I577-H580 PolarHBondContact O-N 2.93Å; H580-F582 VanDerWaalsContact C-N 3.31Å; H580-F582 PolarHBondContact O-N 2.79Å; H580-T583 PolarHBondContact O-N 3.15Å; H580-H584 AromaticContact CD2-CD2 3.59Å; H580-H584 AromaticContact CD2-NE2 3.29Å; H580-H584 PolarHBondContact CD2-NE2 3.24Å; H580-H584 VanDerWaalsContact CD2-NE2 3.29Å; H580-H584 AromaticContact NE2-CD2 3.77Å; H580-H584 AromaticContact NE2-CE1 3.72Å; H580-H584 AromaticContact NE2-NE2 2.96Å; H580-H584 PolarHBondContact NE2-NE2 3.1Å; H580-H584 PolarHBondContact O-CD2 2.9Å; H580-H584 PolarHBondContact O-N 3.06Å; H580-H584 VanDerWaalsContact O-N 3.1Å; H580-E642 IonicContact CE1-OE2 3.35Å; H580-E642 PolarHBondContact CE1-OE2 3.16Å; H580-E642 IonicContact NE2-OE2 3.75Å; H580-E642 PolarHBondContact NE2-OE2 3.3Å; H580-A645 VanDerWaalsContact CE1-CB 3.41Å; H580-A645 WeakPolarHBondContact CE1-CB 3.47Å; H580-A645 WeakPolarHBondContact O-CB 3.33Å; H580-D646 IonicContact CE1-OD1 2.82Å; H580-D646 PolarHBondContact ND1-N 2.94Å; H580-D646 IonicContact ND1-OD1 3.68Å; H580-D646 PolarHBondContact ND1-OD1 3.49Å
581	E	98.6	Very high	97.9	Very high	14 Å²	14	8.5 Å²	8.5	7%	0.065	4%	0.043	C	C	.	.	H	α-helix	trans	-66.5	-32.7	177.6	-59.1	-46.6	137.5	0	0	112.7	A539 F540 Y541 I548 F550 I577 G579 H584	A539-E581 HydrophobicContact CB-CG 3.54Å; F540-E581 WeakPolarHBondContact CA-OE2 3.43Å; F540-E581 PolarHBondContact N-OE2 2.78Å; Y541-E581 WeakPolarHBondContact CB-O 3.43Å; Y541-E581 PolarHBondContact N-OE2 3.13Å; I548-E581 HydrophobicContact CB-CB 4.11Å; I548-E581 HydrophobicContact CG2-CB 3.74Å; I548-E581 WeakPolarHBondContact CG2-O 3.21Å; F550-E581 HydrophobicContact CE1-CB 4.42Å; F550-E581 HydrophobicContact CE1-CG 3.96Å; F550-E581 HydrophobicContact CZ-CB 4.19Å; F550-E581 HydrophobicContact CZ-CG 4.23Å; I577-E581 WeakPolarHBondContact O-CG 3.24Å; I577-E581 PolarHBondContact O-N 2.8Å; G579-E581 PolarHBondContact O-N 3.01Å; E581-H584 PolarHBondContact O-N 3.04Å; E581-H584 IonicContact OE2-CD2 3.53Å
582	F	98.6	Very high	97.8	Very high	1 Å²	1	9.6 Å²	9.6	0%	0.004	5%	0.048	C	C	.	.	H	α-helix	trans	-67.2	-46.1	175.5	-164.5	-85.9	0	0	0	111.4	V442 R443 F446 A469 V472 I548 V578 G579 H580 H584 G585 F586	V442-F582 HydrophobicContact CG1-CB 4Å; V442-F582 HydrophobicContact CG1-CG 4.17Å; R443-F582 HydrophobicContact CB-CE2 3.98Å; R443-F582 HydrophobicContact CB-CZ 4.15Å; R443-F582 HydrophobicContact CG-CE2 3.98Å; R443-F582 HydrophobicContact CG-CZ 3.87Å; F446-F582 HydrophobicContact CB-CD1 4.08Å; F446-F582 HydrophobicContact CB-CE1 3.69Å; F446-F582 AromaticContact CD1-CE1 3.69Å; F446-F582 HydrophobicContact CD1-CE1 3.69Å; F446-F582 HydrophobicContact CD2-CD1 4.24Å; F446-F582 HydrophobicContact CD2-CE1 4.15Å; F446-F582 HydrophobicContact CE1-CE1 4.36Å; F446-F582 HydrophobicContact CG-CD1 4.04Å; F446-F582 AromaticContact CG-CE1 3.56Å; F446-F582 HydrophobicContact CG-CE1 3.56Å; A469-F582 HydrophobicContact CB-CE1 4.12Å; A469-F582 HydrophobicContact CB-CZ 3.76Å; V472-F582 HydrophobicContact CB-CD2 4.38Å; V472-F582 HydrophobicContact CB-CE2 3.85Å; V472-F582 HydrophobicContact CG1-CD2 4.09Å; V472-F582 HydrophobicContact CG1-CE2 4.06Å; V472-F582 HydrophobicContact CG2-CD2 4.46Å; V472-F582 HydrophobicContact CG2-CE2 3.93Å; V472-F582 HydrophobicContact CG2-CZ 4.24Å; I548-F582 HydrophobicContact CD1-CD2 4.44Å; V578-F582 VanDerWaalsContact O-CB 3.27Å; V578-F582 WeakPolarHBondContact O-CB 3.44Å; V578-F582 PolarHBondContact O-N 3.39Å; G579-F582 WeakPolarHBondContact O-CB 3.47Å; G579-F582 PolarHBondContact O-N 3.46Å; G579-F582 VanDerWaalsContact O-N 3.13Å; H580-F582 VanDerWaalsContact C-N 3.31Å; H580-F582 PolarHBondContact O-N 2.79Å; F582-H584 VanDerWaalsContact C-N 3.26Å; F582-H584 PolarHBondContact O-N 3.04Å; F582-G585 PolarHBondContact O-N 2.89Å; F582-F586 HydrophobicContact CD1-CE2 4.26Å; F582-F586 AromaticContact CE1-CE2 3.84Å; F582-F586 HydrophobicContact CE1-CE2 3.84Å
583	T	98.7	Very high	97.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.4	-30.1	177.4	-52.6	0	0	0	0	112	G579 H580 G585 F586 D587 I644 G649 E652 W749	G579-T583 WeakPolarHBondContact O-CB 3.47Å; G579-T583 PolarHBondContact O-N 2.85Å; G579-T583 PolarHBondContact O-OG1 3.41Å; H580-T583 PolarHBondContact O-N 3.15Å; T583-G585 PolarHBondContact O-N 3.15Å; T583-G585 VanDerWaalsContact O-N 3.1Å; T583-F586 CarbonylContact O-C 3.45Å; T583-F586 WeakPolarHBondContact O-CA 3.24Å; T583-F586 PolarHBondContact O-N 3.01Å; T583-D587 PolarHBondContact O-N 3.22Å; T583-I644 HydrophobicContact CG2-CG2 3.85Å; T583-G649 PolarHBondContact OG1-N 3.22Å; T583-E652 PolarHBondContact OG1-OE1 2.93Å; T583-W749 VanDerWaalsContact CG2-CD1 3.45Å; T583-W749 HydrophobicContact CG2-CG 4.43Å
584	H	98.6	Very high	97.8	Very high	18 Å²	18	11.2 Å²	11.2	8%	0.083	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-56.8	-24.9	173.3	-83.9	-49.9	0	0	0	113.4	Y541 H580 E581 F582 F586 D587 G590 E642	Y541-H584 HydrophobicContact CD1-CB 3.71Å; Y541-H584 HydrophobicContact CG-CB 3.74Å; H580-H584 AromaticContact CD2-CD2 3.59Å; H580-H584 AromaticContact CD2-NE2 3.29Å; H580-H584 PolarHBondContact CD2-NE2 3.24Å; H580-H584 VanDerWaalsContact CD2-NE2 3.29Å; H580-H584 AromaticContact NE2-CD2 3.77Å; H580-H584 AromaticContact NE2-CE1 3.72Å; H580-H584 AromaticContact NE2-NE2 2.96Å; H580-H584 PolarHBondContact NE2-NE2 3.1Å; H580-H584 PolarHBondContact O-CD2 2.9Å; H580-H584 PolarHBondContact O-N 3.06Å; H580-H584 VanDerWaalsContact O-N 3.1Å; E581-H584 PolarHBondContact O-N 3.04Å; E581-H584 IonicContact OE2-CD2 3.53Å; F582-H584 VanDerWaalsContact C-N 3.26Å; F582-H584 PolarHBondContact O-N 3.04Å; H584-F586 PolarHBondContact O-N 3.48Å; H584-F586 VanDerWaalsContact O-N 3.14Å; H584-D587 IonicContact CE1-OD2 3.59Å; H584-D587 IonicContact CG-OD2 3.67Å; H584-D587 IonicContact ND1-OD2 3.64Å; H584-D587 PolarHBondContact ND1-OD2 3.43Å; H584-G590 WeakPolarHBondContact O-CA 3.32Å; H584-E642 VanDerWaalsContact CE1-CD 3.47Å; H584-E642 IonicContact CE1-OE1 2.67Å; H584-E642 PolarHBondContact CE1-OE1 3.26Å; H584-E642 IonicContact CE1-OE2 3.95Å; H584-E642 PolarHBondContact CE1-OE2 2.89Å; H584-E642 IonicContact NE2-OE1 2.75Å; H584-E642 IonicContact NE2-OE2 2.69Å; H584-E642 PolarHBondContact NE2-OE2 2.78Å
585	G	97.9	Very high	97.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-62.8	-14.1	169.7	0	0	0	0	0	114.7	K468 Y541 F582 T583 G590 R591	K468-G585 WeakPolarHBondContact CE-O 3.42Å; K468-G585 PolarHBondContact NZ-O 3.33Å; Y541-G585 WeakPolarHBondContact OH-CA 3.48Å; F582-G585 PolarHBondContact O-N 2.89Å; T583-G585 PolarHBondContact O-N 3.15Å; T583-G585 VanDerWaalsContact O-N 3.1Å; G585-G590 CarbonylContact O-C 3.52Å; G585-R591 PolarHBondContact O-N 3.32Å
586	F	98.2	Very high	97.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-134.5	8.2	-172.6	-52.3	-85.7	0	0	0	112.9	F446 A465 K468 A469 F582 T583 H584 W602 W749	F446-F586 HydrophobicContact CD1-CE2 4.43Å; F446-F586 HydrophobicContact CE1-CD1 4.37Å; F446-F586 HydrophobicContact CE1-CD2 4.09Å; F446-F586 HydrophobicContact CE1-CE1 4.06Å; F446-F586 AromaticContact CE1-CE2 3.77Å; F446-F586 HydrophobicContact CE1-CE2 3.77Å; F446-F586 HydrophobicContact CE1-CG 4.38Å; F446-F586 AromaticContact CE1-CZ 3.75Å; F446-F586 HydrophobicContact CE1-CZ 3.75Å; F446-F586 HydrophobicContact CE2-CB 4.43Å; F446-F586 AromaticContact CE2-CD2 3.77Å; F446-F586 HydrophobicContact CE2-CD2 3.77Å; F446-F586 HydrophobicContact CE2-CE2 4.2Å; F446-F586 HydrophobicContact CE2-CG 4.06Å; F446-F586 HydrophobicContact CZ-CB 4.24Å; F446-F586 AromaticContact CZ-CD1 3.8Å; F446-F586 HydrophobicContact CZ-CD1 3.8Å; F446-F586 AromaticContact CZ-CD2 3.45Å; F446-F586 HydrophobicContact CZ-CD2 3.45Å; F446-F586 VanDerWaalsContact CZ-CD2 3.45Å; F446-F586 AromaticContact CZ-CE1 3.96Å; F446-F586 HydrophobicContact CZ-CE1 3.96Å; F446-F586 AromaticContact CZ-CE2 3.64Å; F446-F586 HydrophobicContact CZ-CE2 3.64Å; F446-F586 AromaticContact CZ-CG 3.54Å; F446-F586 HydrophobicContact CZ-CG 3.54Å; F446-F586 AromaticContact CZ-CZ 3.89Å; F446-F586 HydrophobicContact CZ-CZ 3.89Å; A465-F586 HydrophobicContact CB-CE1 4.12Å; K468-F586 HydrophobicContact CB-CE1 4.1Å; K468-F586 HydrophobicContact CB-CZ 4.2Å; K468-F586 HydrophobicContact CD-CE1 3.93Å; K468-F586 HydrophobicContact CD-CZ 4.23Å; K468-F586 HydrophobicContact CG-CE1 4.06Å; K468-F586 HydrophobicContact CG-CZ 3.98Å; A469-F586 HydrophobicContact CB-CE2 4.44Å; A469-F586 HydrophobicContact CB-CZ 3.88Å; F582-F586 HydrophobicContact CD1-CE2 4.26Å; F582-F586 AromaticContact CE1-CE2 3.84Å; F582-F586 HydrophobicContact CE1-CE2 3.84Å; T583-F586 CarbonylContact O-C 3.45Å; T583-F586 WeakPolarHBondContact O-CA 3.24Å; T583-F586 PolarHBondContact O-N 3.01Å; H584-F586 PolarHBondContact O-N 3.48Å; H584-F586 VanDerWaalsContact O-N 3.14Å; F586-W602 HydrophobicContact CD1-CH2 4.45Å; F586-W602 HydrophobicContact CE1-CH2 4.41Å; F586-W749 HydrophobicContact CB-CH2 4.03Å; F586-W749 HydrophobicContact CB-CZ2 3.44Å; F586-W749 VanDerWaalsContact CB-CZ2 3.44Å; F586-W749 HydrophobicContact CG-CZ2 4.49Å; F586-W749 WeakPolarHBondContact O-CZ2 3.44Å
587	D	97.6	Very high	97.6	Very high	11 Å²	11	19.6 Å²	19.6	6%	0.059	10%	0.096	C	C	.	.	S	Bend	trans	-70.8	-171.4	175	75.3	15.1	0	0	0	112.6	T583 H584 N589 G590 R591 I644	T583-D587 PolarHBondContact O-N 3.22Å; H584-D587 IonicContact CE1-OD2 3.59Å; H584-D587 IonicContact CG-OD2 3.67Å; H584-D587 IonicContact ND1-OD2 3.64Å; H584-D587 PolarHBondContact ND1-OD2 3.43Å; D587-N589 PolarHBondContact O-N 3.4Å; D587-N589 WeakPolarHBondContact OD1-CA 3.1Å; D587-N589 WeakPolarHBondContact OD1-CB 3.4Å; D587-N589 PolarHBondContact OD1-N 2.93Å; D587-G590 PolarHBondContact OD1-N 3.11Å; D587-R591 VanDerWaalsContact O-CB 3.27Å; D587-R591 WeakPolarHBondContact O-CB 3.46Å; D587-R591 WeakPolarHBondContact O-CG 3.42Å; D587-R591 PolarHBondContact O-N 3.01Å; D587-I644 HydrophobicContact CB-CB 4.36Å; D587-I644 HydrophobicContact CB-CG2 4.04Å
588	N	95.3	Very high	97.5	Very high	53 Å²	53	20.8 Å²	20.8	28%	0.283	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-9.3	-178.9	65.4	-78.8	0	0	0	114.6	K592 F611 L640 G641 I644	N588-K592 VanDerWaalsContact O-CE 3.22Å; N588-K592 WeakPolarHBondContact O-CE 3.43Å; N588-F611 HydrophobicContact CB-CE1 4.1Å; N588-F611 HydrophobicContact CB-CZ 4.33Å; N588-L640 HydrophobicContact CB-CD2 4.1Å; N588-G641 WeakPolarHBondContact OD1-CA 3.4Å; N588-G641 PolarHBondContact OD1-N 2.68Å; N588-I644 HydrophobicContact CB-CD1 4.35Å
589	N	95.1	Very high	97.4	Very high	54 Å²	54	21.4 Å²	21.4	29%	0.289	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-56	174.9	-171.8	63	0	0	0	112.1	S293 D587 R591 K592	S293-N589 PolarHBondContact OG-OD1 2.71Å; D587-N589 PolarHBondContact O-N 3.4Å; D587-N589 WeakPolarHBondContact OD1-CA 3.1Å; D587-N589 WeakPolarHBondContact OD1-CB 3.4Å; D587-N589 PolarHBondContact OD1-N 2.93Å; N589-R591 VanDerWaalsContact C-N 3.26Å; N589-R591 PolarHBondContact O-N 3.24Å; N589-K592 VanDerWaalsContact O-CB 3.28Å; N589-K592 WeakPolarHBondContact O-CB 3.35Å; N589-K592 WeakPolarHBondContact O-CG 3.33Å; N589-K592 PolarHBondContact O-N 3.47Å
590	G	96.8	Very high	97.2	Very high	1 Å²	1	25 Å²	25	1%	0.01	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-61.4	-31.1	-175.4	0	0	0	0	0	113.5	K468 H584 G585 D587 K592 Y593	K468-G590 PolarHBondContact NZ-O 3.41Å; H584-G590 WeakPolarHBondContact O-CA 3.32Å; G585-G590 CarbonylContact O-C 3.52Å; D587-G590 PolarHBondContact OD1-N 3.11Å; G590-K592 PolarHBondContact O-N 3Å; G590-Y593 PolarHBondContact O-N 2.97Å
591	R	96.5	Very high	96.6	Very high	14 Å²	14	30 Å²	30	5%	0.053	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-56.4	-21.7	175	76.9	171.7	-173.2	74.4	0.4	113.9	G585 D587 N589 Y593 W602 W603 E608	G585-R591 PolarHBondContact O-N 3.32Å; D587-R591 VanDerWaalsContact O-CB 3.27Å; D587-R591 WeakPolarHBondContact O-CB 3.46Å; D587-R591 WeakPolarHBondContact O-CG 3.42Å; D587-R591 PolarHBondContact O-N 3.01Å; N589-R591 VanDerWaalsContact C-N 3.26Å; N589-R591 PolarHBondContact O-N 3.24Å; R591-Y593 VanDerWaalsContact C-N 3.29Å; R591-W602 WeakPolarHBondContact O-CZ2 3.48Å; R591-W602 PolarHBondContact O-NE1 2.94Å; R591-W603 HydrophobicContact CB-CH2 4.34Å; R591-W603 HydrophobicContact CB-CZ2 3.71Å; R591-W603 PolarHBondContact O-NE1 3.23Å; R591-E608 IonicContact CZ-OE1 3.76Å; R591-E608 IonicContact NH1-OE1 3.33Å; R591-E608 PolarHBondContact NH1-OE1 2.83Å; R591-E608 IonicContact NH2-OE1 3.94Å
592	K	96.6	Very high	96.5	Very high	26 Å²	26	30 Å²	30	11%	0.113	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-83.6	-9.9	-177.4	-56.9	167.5	170.9	-172.9	0	112.6	E294 N588 N589 G590 L599 D600	E294-K592 WeakPolarHBondContact OE1-CD 3.31Å; E294-K592 WeakPolarHBondContact OE1-CE 3.41Å; E294-K592 IonicContact OE1-NZ 3.67Å; E294-K592 PolarHBondContact OE1-NZ 3.22Å; E294-K592 IonicContact OE2-NZ 3.98Å; E294-K592 PolarHBondContact OE2-NZ 3.5Å; N588-K592 VanDerWaalsContact O-CE 3.22Å; N588-K592 WeakPolarHBondContact O-CE 3.43Å; N589-K592 VanDerWaalsContact O-CB 3.28Å; N589-K592 WeakPolarHBondContact O-CB 3.35Å; N589-K592 WeakPolarHBondContact O-CG 3.33Å; N589-K592 PolarHBondContact O-N 3.47Å; G590-K592 PolarHBondContact O-N 3Å; K592-L599 HydrophobicContact CB-CD1 3.69Å; K592-L599 CarbonylContact O-C 3.54Å; K592-L599 WeakPolarHBondContact O-CA 3.26Å; K592-D600 PolarHBondContact O-N 3.5Å; K592-D600 VanDerWaalsContact O-O 3.05Å
593	Y	97.9	Very high	96.4	Very high	9 Å²	9	30.7 Å²	30.7	4%	0.035	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-101.2	133	177.5	-67.6	-99.1	0	0	0	109	D212 S293 K468 A543 G590 R591 G597 N598 L599 W602	D212-Y593 HydrophobicContact CB-CE1 4.3Å; D212-Y593 PolarHBondContact OD1-OH 3.17Å; D212-Y593 VanDerWaalsContact OD1-OH 3.06Å; S293-Y593 WeakPolarHBondContact CB-OH 3.17Å; S293-Y593 PolarHBondContact OG-OH 2.92Å; K468-Y593 WeakPolarHBondContact CE-O 3.44Å; K468-Y593 PolarHBondContact NZ-O 3.35Å; A543-Y593 HydrophobicContact CB-CD1 4.1Å; A543-Y593 HydrophobicContact CB-CD2 3.76Å; A543-Y593 HydrophobicContact CB-CE1 4.34Å; A543-Y593 HydrophobicContact CB-CE2 4.04Å; A543-Y593 HydrophobicContact CB-CG 3.79Å; G590-Y593 PolarHBondContact O-N 2.97Å; R591-Y593 VanDerWaalsContact C-N 3.29Å; Y593-G597 WeakPolarHBondContact CD1-O 3.31Å; Y593-N598 CarbonylContact C-O 3.45Å; Y593-N598 WeakPolarHBondContact CA-O 3.39Å; Y593-L599 HydrophobicContact CD1-CB 4.21Å; Y593-L599 HydrophobicContact CD2-CD1 4.34Å; Y593-L599 HydrophobicContact CE1-CB 3.93Å; Y593-L599 HydrophobicContact CE1-CD1 4.48Å; Y593-L599 HydrophobicContact CE2-CD1 3.97Å; Y593-W602 VanDerWaalsContact C-NE1 3.32Å; Y593-W602 PolarHBondContact O-NE1 3.17Å
594	D	97.3	Very high	96.3	Very high	25 Å²	25	32.5 Å²	32.5	13%	0.134	17%	0.173	C	C	.	.			trans	-70.2	-175	177	76.2	2.7	0	0	0	111.9	N596 G597 N598 D600	D594-N596 PolarHBondContact O-N 3.08Å; D594-N596 WeakPolarHBondContact OD1-CA 3.22Å; D594-N596 WeakPolarHBondContact OD1-CB 3.27Å; D594-N596 PolarHBondContact OD1-N 3.31Å; D594-G597 PolarHBondContact O-N 3.16Å; D594-G597 PolarHBondContact OD1-N 2.78Å; D594-N598 PolarHBondContact N-O 3.16Å; D594-N598 PolarHBondContact OD1-N 3.48Å; D594-N598 PolarHBondContact OD2-ND2 3.02Å; D594-N598 VanDerWaalsContact OD2-ND2 3.15Å; D594-D600 HydrophobicContact CB-CB 4.42Å
595	K	97.3	Very high	96.2	Very high	90 Å²	90	36.4 Å²	36.4	39%	0.391	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-21	178.4	71.3	-177.3	176.4	-168.3	0	114.6	E467 K468 A471 N546	E467-K595 HydrophobicContact CB-CD 4.4Å; E467-K595 IonicContact OE2-NZ 3.55Å; E467-K595 PolarHBondContact OE2-NZ 2.96Å; K468-K595 HydrophobicContact CB-CB 4.14Å; K468-K595 HydrophobicContact CG-CB 4.41Å; A471-K595 HydrophobicContact CB-CB 3.92Å; N546-K595 PolarHBondContact ND2-O 3.31Å
596	N	96.5	Very high	96.2	Very high	86 Å²	86	42.6 Å²	42.6	46%	0.46	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-11.1	179.4	-55.5	-51.6	0	0	0	111.7	S215 K527 D594	S215-N596 PolarHBondContact OG-O 2.64Å; S215-N596 VanDerWaalsContact OG-O 3.04Å; K527-N596 PolarHBondContact NZ-O 3.12Å; D594-N596 PolarHBondContact O-N 3.08Å; D594-N596 WeakPolarHBondContact OD1-CA 3.22Å; D594-N596 WeakPolarHBondContact OD1-CB 3.27Å; D594-N596 PolarHBondContact OD1-N 3.31Å
597	G	96.8	Very high	96.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	91.7	22.2	-178.4	0	0	0	0	0	114.2	S215 A543 Y593 D594	S215-G597 WeakPolarHBondContact CB-O 3.41Å; A543-G597 WeakPolarHBondContact O-CA 3.44Å; Y593-G597 WeakPolarHBondContact CD1-O 3.31Å; D594-G597 PolarHBondContact O-N 3.16Å; D594-G597 PolarHBondContact OD1-N 2.78Å
598	N	97.9	Very high	96.1	Very high	30 Å²	30	44 Å²	44	16%	0.16	23%	0.233	C	C	.	.			trans	-90.9	134.5	173	-53.3	-53.4	0	0	0	110.8	D212 K213 S215 Y593 D594 D600	D212-N598 CarbonylContact O-C 3.59Å; D212-N598 WeakPolarHBondContact O-CA 3.39Å; K213-N598 PolarHBondContact O-OD1 3.48Å; S215-N598 VanDerWaalsContact CB-OD1 3.28Å; S215-N598 WeakPolarHBondContact CB-OD1 3.36Å; S215-N598 PolarHBondContact N-OD1 3.1Å; S215-N598 PolarHBondContact OG-OD1 3.05Å; Y593-N598 CarbonylContact C-O 3.45Å; Y593-N598 WeakPolarHBondContact CA-O 3.39Å; D594-N598 PolarHBondContact N-O 3.16Å; D594-N598 PolarHBondContact OD1-N 3.48Å; D594-N598 PolarHBondContact OD2-ND2 3.02Å; D594-N598 VanDerWaalsContact OD2-ND2 3.15Å; N598-D600 PolarHBondContact O-N 3.25Å
599	L	96.9	Very high	96.2	Very high	14 Å²	14	47.2 Å²	47.2	7%	0.073	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-66.2	94.3	171.2	-178.2	68.6	0	0	0	109	D212 K213 E294 Y297 K592 Y593	D212-L599 HydrophobicContact CB-CB 4.18Å; D212-L599 HydrophobicContact CB-CD2 4.31Å; D212-L599 VanDerWaalsContact O-CB 3.25Å; D212-L599 WeakPolarHBondContact O-CB 3.39Å; D212-L599 PolarHBondContact O-N 2.84Å; K213-L599 HydrophobicContact CG-CB 4.18Å; E294-L599 HydrophobicContact CG-CD1 4.46Å; Y297-L599 HydrophobicContact CG-CD2 4.49Å; K592-L599 HydrophobicContact CB-CD1 3.69Å; K592-L599 CarbonylContact O-C 3.54Å; K592-L599 WeakPolarHBondContact O-CA 3.26Å; Y593-L599 HydrophobicContact CD1-CB 4.21Å; Y593-L599 HydrophobicContact CD2-CD1 4.34Å; Y593-L599 HydrophobicContact CE1-CB 3.93Å; Y593-L599 HydrophobicContact CE1-CD1 4.48Å; Y593-L599 HydrophobicContact CE2-CD1 3.97Å
600	D	93	Very high	96.3	Very high	76 Å²	76	48.4 Å²	48.4	41%	0.406	25%	0.249	S	C	.	.			trans	-139.9	128.4	-171	-176.6	54.1	0	0	0	109.7	K592 D594 N598 W602	K592-D600 PolarHBondContact O-N 3.5Å; K592-D600 VanDerWaalsContact O-O 3.05Å; D594-D600 HydrophobicContact CB-CB 4.42Å; N598-D600 PolarHBondContact O-N 3.25Å; D600-W602 VanDerWaalsContact C-N 3.3Å; D600-W602 PolarHBondContact O-N 3.48Å
601	P	87.4	Confident	96.3	Very high	108 Å²	108	48.6 Å²	48.6	70%	0.701	25%	0.249	S	C	*	.			trans	-72.8	84.2	176.4	30.4	-34.6	0	0	0	110.5
602	W	95.7	Very high	96.3	Very high	13 Å²	13	53 Å²	53	5%	0.049	27%	0.269	C	S	.	.			trans	-92.5	-4.7	-176.4	60.4	-97.1	0	0	0	114.7	T461 K464 A465 K468 F586 R591 Y593 D600	T461-W602 HydrophobicContact CG2-CZ3 4.27Å; K464-W602 HydrophobicContact CB-CE3 3.53Å; K464-W602 HydrophobicContact CB-CZ3 3.73Å; K464-W602 HydrophobicContact CD-CB 4.17Å; K464-W602 HydrophobicContact CD-CE3 4.01Å; K464-W602 WeakPolarHBondContact CD-O 3.28Å; K464-W602 HydrophobicContact CG-CE3 4.47Å; K464-W602 PolarHBondContact NZ-O 3.04Å; A465-W602 HydrophobicContact CB-CH2 3.96Å; A465-W602 HydrophobicContact CB-CZ3 4.04Å; K468-W602 HydrophobicContact CD-CZ2 3.86Å; F586-W602 HydrophobicContact CD1-CH2 4.45Å; F586-W602 HydrophobicContact CE1-CH2 4.41Å; R591-W602 WeakPolarHBondContact O-CZ2 3.48Å; R591-W602 PolarHBondContact O-NE1 2.94Å; Y593-W602 VanDerWaalsContact C-NE1 3.32Å; Y593-W602 PolarHBondContact O-NE1 3.17Å; D600-W602 VanDerWaalsContact C-N 3.3Å; D600-W602 PolarHBondContact O-N 3.48Å
603	W	96.8	Very high	96.3	Very high	17 Å²	17	56.8 Å²	56.8	6%	0.064	29%	0.287	C	S	.	.	S	Bend	trans	-89.6	152.7	176.6	-70.8	42.1	0	0	0	111.2	W456 M457 T461 R591 E608 F611 W749	W456-W603 AromaticContact CH2-CH2 3.71Å; W456-W603 HydrophobicContact CH2-CH2 3.71Å; W456-W603 AromaticContact CH2-CZ3 3.61Å; W456-W603 HydrophobicContact CH2-CZ3 3.61Å; W456-W603 HydrophobicContact CZ3-CH2 4.19Å; W456-W603 AromaticContact CZ3-CZ3 3.6Å; W456-W603 HydrophobicContact CZ3-CZ3 3.6Å; M457-W603 HydrophobicContact CE-CH2 4.1Å; M457-W603 HydrophobicContact CE-CZ2 4.12Å; M457-W603 HydrophobicContact CE-CZ3 4.37Å; T461-W603 HydrophobicContact CG2-CB 3.94Å; T461-W603 HydrophobicContact CG2-CD2 3.56Å; T461-W603 HydrophobicContact CG2-CE3 4.03Å; T461-W603 HydrophobicContact CG2-CG 3.54Å; R591-W603 HydrophobicContact CB-CH2 4.34Å; R591-W603 HydrophobicContact CB-CZ2 3.71Å; R591-W603 PolarHBondContact O-NE1 3.23Å; W603-E608 HydrophobicContact CB-CG 3.66Å; W603-E608 HydrophobicContact CE3-CG 4.47Å; W603-E608 HydrophobicContact CG-CG 4.45Å; W603-F611 AromaticContact CH2-CD2 3.68Å; W603-F611 HydrophobicContact CH2-CD2 3.68Å; W603-F611 HydrophobicContact CH2-CE2 4.19Å; W603-F611 HydrophobicContact CH2-CG 4.44Å; W603-F611 HydrophobicContact CZ3-CB 3.87Å; W603-F611 AromaticContact CZ3-CD2 3.71Å; W603-F611 HydrophobicContact CZ3-CD2 3.71Å; W603-F611 HydrophobicContact CZ3-CG 4.06Å; W603-W749 AromaticContact CH2-CH2 3.67Å; W603-W749 HydrophobicContact CH2-CH2 3.67Å; W603-W749 HydrophobicContact CH2-CZ2 4.06Å; W603-W749 HydrophobicContact CZ2-CH2 4.04Å; W603-W749 HydrophobicContact CZ2-CZ2 4.48Å
604	S	96.9	Very high	96.2	Very high	38 Å²	38	60 Å²	60	27%	0.266	30%	0.302	S	S	.	.			trans	-68.9	153	164.8	77.1	0	0	0	0	110.8	D458 T461 E606 S607 E608	D458-S604 VanDerWaalsContact OD2-CB 3.24Å; D458-S604 WeakPolarHBondContact OD2-CB 3.19Å; D458-S604 PolarHBondContact OD2-OG 2.66Å; T461-S604 PolarHBondContact OG1-N 2.9Å; S604-E606 PolarHBondContact O-N 2.89Å; S604-S607 PolarHBondContact O-N 2.81Å; S604-S607 WeakPolarHBondContact OG-CB 3.46Å; S604-S607 PolarHBondContact OG-N 3.12Å; S604-S607 VanDerWaalsContact OG-N 3.14Å; S604-S607 PolarHBondContact OG-OG 3.14Å; S604-E608 WeakPolarHBondContact O-CG 3.33Å; S604-E608 PolarHBondContact O-N 3.46Å
605	T	96.4	Very high	96.2	Very high	99 Å²	99	59.2 Å²	59.2	61%	0.607	30%	0.297	S	S	*	.	H	α-helix	trans	-56.2	-40.4	176	-53.1	0	0	0	0	112	E608 E609	T605-E608 PolarHBondContact O-N 3.49Å; T605-E609 WeakPolarHBondContact O-CG 3.26Å; T605-E609 PolarHBondContact O-N 2.67Å
606	E	96.9	Very high	96.2	Very high	130 Å²	130	60.9 Å²	60.9	61%	0.607	31%	0.305	S	S	*	.	H	α-helix	trans	-61.5	-49.2	178.4	-176.5	-179.6	-174.5	0	0	111.9	S604 E608 E609 K610	S604-E606 PolarHBondContact O-N 2.89Å; E606-E608 VanDerWaalsContact C-N 3.28Å; E606-E608 PolarHBondContact O-N 2.72Å; E606-E609 PolarHBondContact O-N 2.97Å; E606-K610 WeakPolarHBondContact O-CG 3.3Å; E606-K610 PolarHBondContact O-N 3.03Å
607	S	97.8	Very high	96.3	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-36.2	176.8	-74.4	0	0	0	0	111.7	M457 D458 T461 S604 F611	M457-S607 WeakPolarHBondContact CA-OG 3.46Å; D458-S607 PolarHBondContact N-OG 3.47Å; D458-S607 VanDerWaalsContact N-OG 3.13Å; D458-S607 PolarHBondContact OD2-OG 3.2Å; T461-S607 PolarHBondContact OG1-OG 3.21Å; S604-S607 PolarHBondContact O-N 2.81Å; S604-S607 WeakPolarHBondContact OG-CB 3.46Å; S604-S607 PolarHBondContact OG-N 3.12Å; S604-S607 VanDerWaalsContact OG-N 3.14Å; S604-S607 PolarHBondContact OG-OG 3.14Å; S607-F611 WeakPolarHBondContact O-CB 3.49Å; S607-F611 PolarHBondContact O-N 3.32Å
608	E	96.2	Very high	96.3	Very high	42 Å²	42	59.1 Å²	59.1	20%	0.196	30%	0.298	C	S	.	.	H	α-helix	trans	-67.2	-40.5	175.5	-68	-155.7	145.4	0	0	113.3	R591 W603 S604 T605 E606 F611 K612	R591-E608 IonicContact CZ-OE1 3.76Å; R591-E608 IonicContact NH1-OE1 3.33Å; R591-E608 PolarHBondContact NH1-OE1 2.83Å; R591-E608 IonicContact NH2-OE1 3.94Å; W603-E608 HydrophobicContact CB-CG 3.66Å; W603-E608 HydrophobicContact CE3-CG 4.47Å; W603-E608 HydrophobicContact CG-CG 4.45Å; S604-E608 WeakPolarHBondContact O-CG 3.33Å; S604-E608 PolarHBondContact O-N 3.46Å; T605-E608 PolarHBondContact O-N 3.49Å; E606-E608 VanDerWaalsContact C-N 3.28Å; E606-E608 PolarHBondContact O-N 2.72Å; E608-F611 WeakPolarHBondContact O-CB 3.42Å; E608-F611 PolarHBondContact O-N 2.75Å; E608-K612 WeakPolarHBondContact O-CG 3.37Å; E608-K612 PolarHBondContact O-N 3.46Å
609	E	96.8	Very high	96.3	Very high	119 Å²	119	59.6 Å²	59.6	56%	0.556	30%	0.3	S	S	*	.	H	α-helix	trans	-66.2	-43.7	177	-74.4	178.3	176.6	0	0	111	T605 E606 F611 K612 E613	T605-E609 WeakPolarHBondContact O-CG 3.26Å; T605-E609 PolarHBondContact O-N 2.67Å; E606-E609 PolarHBondContact O-N 2.97Å; E609-F611 VanDerWaalsContact C-N 3.34Å; E609-F611 PolarHBondContact O-N 3.37Å; E609-K612 WeakPolarHBondContact O-CB 3.49Å; E609-K612 PolarHBondContact O-N 2.91Å; E609-E613 PolarHBondContact O-N 2.94Å
610	K	97.7	Very high	96.4	Very high	80 Å²	80	63.6 Å²	63.6	35%	0.348	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-37.7	174.1	-72.6	-64.2	178	-168.3	0	113.1	W456 E606 E613 K614	W456-K610 HydrophobicContact CB-CB 4.33Å; W456-K610 HydrophobicContact CE3-CB 3.94Å; E606-K610 WeakPolarHBondContact O-CG 3.3Å; E606-K610 PolarHBondContact O-N 3.03Å; K610-E613 WeakPolarHBondContact CD-OE2 3.43Å; K610-E613 IonicContact NZ-OE1 2.77Å; K610-E613 IonicContact NZ-OE2 3.41Å; K610-E613 PolarHBondContact NZ-OE2 2.93Å; K610-E613 WeakPolarHBondContact O-CB 3.46Å; K610-E613 PolarHBondContact O-N 3.48Å; K610-K614 WeakPolarHBondContact O-CG 3.09Å; K610-K614 PolarHBondContact O-N 3.21Å
611	F	97.8	Very high	96.7	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-60.2	-47.5	171.4	-177.7	-84.5	0	0	0	111.8	W456 N588 W603 S607 E608 E609 E613 K614 T615 I644 L748 W749	W456-F611 HydrophobicContact CH2-CB 4.33Å; W456-F611 AromaticContact CH2-CD2 3.87Å; W456-F611 HydrophobicContact CH2-CD2 3.87Å; W456-F611 HydrophobicContact CZ3-CB 3.96Å; W456-F611 HydrophobicContact CZ3-CD2 4.36Å; N588-F611 HydrophobicContact CB-CE1 4.1Å; N588-F611 HydrophobicContact CB-CZ 4.33Å; W603-F611 AromaticContact CH2-CD2 3.68Å; W603-F611 HydrophobicContact CH2-CD2 3.68Å; W603-F611 HydrophobicContact CH2-CE2 4.19Å; W603-F611 HydrophobicContact CH2-CG 4.44Å; W603-F611 HydrophobicContact CZ3-CB 3.87Å; W603-F611 AromaticContact CZ3-CD2 3.71Å; W603-F611 HydrophobicContact CZ3-CD2 3.71Å; W603-F611 HydrophobicContact CZ3-CG 4.06Å; S607-F611 WeakPolarHBondContact O-CB 3.49Å; S607-F611 PolarHBondContact O-N 3.32Å; E608-F611 WeakPolarHBondContact O-CB 3.42Å; E608-F611 PolarHBondContact O-N 2.75Å; E609-F611 VanDerWaalsContact C-N 3.34Å; E609-F611 PolarHBondContact O-N 3.37Å; F611-E613 VanDerWaalsContact C-N 3.3Å; F611-E613 PolarHBondContact O-N 3.35Å; F611-K614 PolarHBondContact O-N 2.91Å; F611-T615 HydrophobicContact CD1-CG2 3.99Å; F611-T615 HydrophobicContact CE1-CG2 3.61Å; F611-T615 HydrophobicContact CE2-CG2 4.39Å; F611-T615 HydrophobicContact CZ-CG2 3.83Å; F611-T615 WeakPolarHBondContact O-CB 3.31Å; F611-T615 WeakPolarHBondContact O-CG2 3.38Å; F611-T615 PolarHBondContact O-N 3.42Å; F611-T615 PolarHBondContact O-OG1 3.06Å; F611-I644 HydrophobicContact CZ-CD1 4.1Å; F611-L748 HydrophobicContact CD2-CD1 3.84Å; F611-L748 HydrophobicContact CD2-CD2 4.28Å; F611-L748 HydrophobicContact CE2-CD1 4.09Å; F611-L748 HydrophobicContact CE2-CD2 3.65Å; F611-L748 HydrophobicContact CE2-CG 4.36Å; F611-L748 HydrophobicContact CZ-CD2 4.11Å; F611-W749 HydrophobicContact CE2-CZ2 4.09Å
612	K	96.3	Very high	97.2	Very high	107 Å²	107	55 Å²	55	47%	0.465	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-39.4	176.8	-70.2	168.5	-170.2	165.5	0	111.3	E608 E609 T615 K616	E608-K612 WeakPolarHBondContact O-CG 3.37Å; E608-K612 PolarHBondContact O-N 3.46Å; E609-K612 WeakPolarHBondContact O-CB 3.49Å; E609-K612 PolarHBondContact O-N 2.91Å; K612-T615 WeakPolarHBondContact CA-OG1 3.36Å; K612-T615 PolarHBondContact O-OG1 3.36Å; K612-K616 WeakPolarHBondContact O-CG 3.36Å; K612-K616 PolarHBondContact O-N 2.92Å
613	E	95.8	Very high	97.3	Very high	106 Å²	106	56.2 Å²	56.2	50%	0.495	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-51.8	176.1	-169.2	-171.4	155.4	0	0	111.2	E609 K610 F611 T615 K616	E609-E613 PolarHBondContact O-N 2.94Å; K610-E613 WeakPolarHBondContact CD-OE2 3.43Å; K610-E613 IonicContact NZ-OE1 2.77Å; K610-E613 IonicContact NZ-OE2 3.41Å; K610-E613 PolarHBondContact NZ-OE2 2.93Å; K610-E613 WeakPolarHBondContact O-CB 3.46Å; K610-E613 PolarHBondContact O-N 3.48Å; F611-E613 VanDerWaalsContact C-N 3.3Å; F611-E613 PolarHBondContact O-N 3.35Å; E613-T615 PolarHBondContact O-N 3.16Å; E613-K616 WeakPolarHBondContact O-CB 3.21Å; E613-K616 PolarHBondContact O-N 2.86Å
614	K	95.8	Very high	97.4	Very high	77 Å²	77	61.5 Å²	61.5	34%	0.335	31%	0.31	S	S	.	.	H	α-helix	trans	-66.1	-40	-178.5	-74.7	-174.8	167.9	-71.6	0	113.1	W456 K610 F611 K616 C617 L748	W456-K614 HydrophobicContact CB-CD 4.08Å; W456-K614 VanDerWaalsContact CB-CE 3.43Å; W456-K614 HydrophobicContact CD2-CD 3.9Å; W456-K614 HydrophobicContact CG-CD 3.54Å; K610-K614 WeakPolarHBondContact O-CG 3.09Å; K610-K614 PolarHBondContact O-N 3.21Å; F611-K614 PolarHBondContact O-N 2.91Å; K614-K616 PolarHBondContact O-N 3.22Å; K614-C617 VanDerWaalsContact O-CB 3.3Å; K614-C617 WeakPolarHBondContact O-CB 3.29Å; K614-C617 PolarHBondContact O-N 3.19Å; K614-C617 VanDerWaalsContact O-N 3.13Å; K614-L748 HydrophobicContact CB-CD1 3.95Å; K614-L748 HydrophobicContact CD-CD1 4.45Å
615	T	97.4	Very high	97.4	Very high	7 Å²	7	61.8 Å²	61.8	4%	0.043	31%	0.305	C	S	.	.	H	α-helix	trans	-67.7	-22.3	179.7	49.6	0	0	0	0	113.4	F611 K612 E613 C617 M618 I619 L640 I644 L748	F611-T615 HydrophobicContact CD1-CG2 3.99Å; F611-T615 HydrophobicContact CE1-CG2 3.61Å; F611-T615 HydrophobicContact CE2-CG2 4.39Å; F611-T615 HydrophobicContact CZ-CG2 3.83Å; F611-T615 WeakPolarHBondContact O-CB 3.31Å; F611-T615 WeakPolarHBondContact O-CG2 3.38Å; F611-T615 PolarHBondContact O-N 3.42Å; F611-T615 PolarHBondContact O-OG1 3.06Å; K612-T615 WeakPolarHBondContact CA-OG1 3.36Å; K612-T615 PolarHBondContact O-OG1 3.36Å; E613-T615 PolarHBondContact O-N 3.16Å; T615-C617 PolarHBondContact O-N 3.31Å; T615-M618 PolarHBondContact O-N 2.9Å; T615-M618 VanDerWaalsContact O-N 3.16Å; T615-I619 WeakPolarHBondContact O-CG1 3.44Å; T615-I619 PolarHBondContact O-N 2.99Å; T615-L640 HydrophobicContact CG2-CD1 4.49Å; T615-I644 HydrophobicContact CG2-CD1 3.67Å; T615-I644 HydrophobicContact CG2-CG1 4.34Å; T615-L748 HydrophobicContact CG2-CD1 4.29Å; T615-L748 HydrophobicContact CG2-CD2 3.94Å
616	K	97.8	Very high	97.5	Very high	125 Å²	125	62.8 Å²	62.8	54%	0.543	30%	0.299	S	S	.	.	H	α-helix	trans	-57.5	-33.5	170.6	-74.2	168.7	-176.3	177.7	0	112.4	K612 E613 K614 M618 I619 N620	K612-K616 WeakPolarHBondContact O-CG 3.36Å; K612-K616 PolarHBondContact O-N 2.92Å; E613-K616 WeakPolarHBondContact O-CB 3.21Å; E613-K616 PolarHBondContact O-N 2.86Å; K614-K616 PolarHBondContact O-N 3.22Å; K616-M618 PolarHBondContact O-N 3.08Å; K616-I619 PolarHBondContact O-N 3.34Å; K616-N620 WeakPolarHBondContact O-CB 3.5Å; K616-N620 PolarHBondContact O-N 3.46Å; K616-N620 PolarHBondContact O-ND2 3.41Å
617	C	97.7	Very high	97.5	Very high	46 Å²	46	57.7 Å²	57.7	31%	0.311	27%	0.274	S	S	.	.	H	α-helix	trans	-56.7	-51.7	175.4	-173.6	0	0	0	0	110.8	K614 T615 N620 Q621 C746	K614-C617 VanDerWaalsContact O-CB 3.3Å; K614-C617 WeakPolarHBondContact O-CB 3.29Å; K614-C617 PolarHBondContact O-N 3.19Å; K614-C617 VanDerWaalsContact O-N 3.13Å; T615-C617 PolarHBondContact O-N 3.31Å; C617-N620 PolarHBondContact O-N 3.01Å; C617-Q621 WeakPolarHBondContact O-CB 3.45Å; C617-Q621 PolarHBondContact O-N 3.38Å; C617-C746 HydrophobicContact CB-CB 3.8Å; C617-C746 WeakPolarHBondContact CB-SG 3.49Å; C617-C746 PolarHBondContact O-SG 2.89Å; C617-C746 VanDerWaalsContact O-SG 3.34Å; C617-C746 WeakPolarHBondContact SG-CA 3.43Å; C617-C746 WeakPolarHBondContact SG-CB 3.24Å; C617-C746 CovalentContact SG-SG 2.05Å; C617-C746 PolarHBondContact SG-SG 3.4Å
618	M	97.9	Very high	97.4	Very high	4 Å²	4	66.4 Å²	66.4	2%	0.02	31%	0.312	C	S	.	.	H	α-helix	trans	-66.8	-38.8	179.5	-67.4	-179.2	176.3	0	0	112	T615 K616 N620 Y622 L640 I644 N647 C746 L748	T615-M618 PolarHBondContact O-N 2.9Å; T615-M618 VanDerWaalsContact O-N 3.16Å; K616-M618 PolarHBondContact O-N 3.08Å; M618-N620 VanDerWaalsContact C-N 3.31Å; M618-N620 PolarHBondContact O-N 3.37Å; M618-Y622 HydrophobicContact CB-CD2 4.49Å; M618-Y622 WeakPolarHBondContact O-CB 3.34Å; M618-Y622 VanDerWaalsContact O-CD2 3.22Å; M618-Y622 WeakPolarHBondContact O-CD2 3.32Å; M618-Y622 PolarHBondContact O-N 3.08Å; M618-L640 HydrophobicContact CB-CD1 4.07Å; M618-I644 HydrophobicContact SD-CG1 3.77Å; M618-N647 HydrophobicContact CE-CB 3.66Å; M618-C746 HydrophobicContact CE-CB 4.33Å; M618-C746 HydrophobicContact CG-CB 3.66Å; M618-L748 HydrophobicContact CE-CB 4.33Å
619	I	98.3	Very high	97.4	Very high	40 Å²	40	69.2 Å²	69.2	21%	0.205	32%	0.324	C	S	.	.	H	α-helix	trans	-57.1	-48.6	174.2	-64.6	172.7	0	0	0	110	T615 K616 S623 K637 L640	T615-I619 WeakPolarHBondContact O-CG1 3.44Å; T615-I619 PolarHBondContact O-N 2.99Å; K616-I619 PolarHBondContact O-N 3.34Å; I619-S623 VanDerWaalsContact O-CB 3.23Å; I619-S623 WeakPolarHBondContact O-CB 3.05Å; I619-S623 PolarHBondContact O-N 3.38Å; I619-S623 PolarHBondContact O-OG 3.17Å; I619-K637 HydrophobicContact CG2-CB 4.42Å; I619-L640 HydrophobicContact CD1-CD2 3.94Å; I619-L640 HydrophobicContact CG1-CD1 3.87Å; I619-L640 HydrophobicContact CG1-CD2 3.98Å; I619-L640 HydrophobicContact CG1-CG 4.37Å
620	N	98.4	Very high	97.3	Very high	97 Å²	97	64.1 Å²	64.1	52%	0.519	30%	0.302	S	S	.	.	H	α-helix	trans	-68.2	-47.8	-177.5	-67.9	-12.8	0	0	0	111.6	K616 C617 M618 Y622 S623 N624	K616-N620 WeakPolarHBondContact O-CB 3.5Å; K616-N620 PolarHBondContact O-N 3.46Å; K616-N620 PolarHBondContact O-ND2 3.41Å; C617-N620 PolarHBondContact O-N 3.01Å; M618-N620 VanDerWaalsContact C-N 3.31Å; M618-N620 PolarHBondContact O-N 3.37Å; N620-Y622 VanDerWaalsContact C-N 3.34Å; N620-Y622 PolarHBondContact O-N 3.22Å; N620-S623 PolarHBondContact O-N 3.5Å; N620-N624 VanDerWaalsContact O-CG 3.25Å; N620-N624 PolarHBondContact O-N 3.19Å; N620-N624 VanDerWaalsContact O-N 3.16Å; N620-N624 PolarHBondContact O-ND2 3.28Å
621	Q	98.3	Very high	97.2	Very high	5 Å²	5	62.1 Å²	62.1	2%	0.023	30%	0.303	C	S	.	.	H	α-helix	trans	-52	-54.4	176.7	176.7	-172.2	7.5	0	0	110.5	C617 N624 Y625 G719 N723 C746	C617-Q621 WeakPolarHBondContact O-CB 3.45Å; C617-Q621 PolarHBondContact O-N 3.38Å; Q621-N624 PolarHBondContact O-N 2.62Å; Q621-Y625 HydrophobicContact CG-CE2 4.04Å; Q621-Y625 PolarHBondContact NE2-OH 2.95Å; Q621-Y625 VanDerWaalsContact NE2-OH 3.09Å; Q621-G719 PolarHBondContact NE2-O 3.02Å; Q621-N723 PolarHBondContact NE2-ND2 3.18Å; Q621-N723 PolarHBondContact OE1-ND2 3.44Å; Q621-N723 PolarHBondContact OE1-OD1 3.38Å; Q621-C746 PolarHBondContact OE1-SG 3.08Å; Q621-C746 VanDerWaalsContact OE1-SG 3.37Å
622	Y	98.4	Very high	97.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-74.1	-32.7	-174.4	-76.5	-102	0	0	0	112.3	M618 N620 N624 Y625 V634 N643 N647 S711 Y715 A720	M618-Y622 HydrophobicContact CB-CD2 4.49Å; M618-Y622 WeakPolarHBondContact O-CB 3.34Å; M618-Y622 VanDerWaalsContact O-CD2 3.22Å; M618-Y622 WeakPolarHBondContact O-CD2 3.32Å; M618-Y622 PolarHBondContact O-N 3.08Å; N620-Y622 VanDerWaalsContact C-N 3.34Å; N620-Y622 PolarHBondContact O-N 3.22Å; Y622-N624 PolarHBondContact O-N 3.03Å; Y622-Y625 AromaticContact CD1-CD2 3.99Å; Y622-Y625 HydrophobicContact CD1-CD2 3.99Å; Y622-Y625 HydrophobicContact CD1-CE2 4Å; Y622-Y625 HydrophobicContact CE1-CE2 4.35Å; Y622-Y625 HydrophobicContact CG-CD2 4.2Å; Y622-Y625 HydrophobicContact CG-CE2 4.13Å; Y622-Y625 WeakPolarHBondContact O-CB 3.41Å; Y622-Y625 PolarHBondContact O-N 3.11Å; Y622-Y625 VanDerWaalsContact O-N 3.11Å; Y622-V634 WeakPolarHBondContact O-CB 3.45Å; Y622-N643 WeakPolarHBondContact CB-ND2 3.45Å; Y622-N643 WeakPolarHBondContact CD1-ND2 3.35Å; Y622-N643 HydrophobicContact CD2-CB 4.25Å; Y622-N643 WeakPolarHBondContact CD2-ND2 3.35Å; Y622-N643 HydrophobicContact CE1-CB 4.26Å; Y622-N643 VanDerWaalsContact CE1-CG 3.45Å; Y622-N643 VanDerWaalsContact CE1-OD1 3.24Å; Y622-N643 WeakPolarHBondContact CE1-OD1 3.43Å; Y622-N643 HydrophobicContact CE2-CB 3.89Å; Y622-N647 PolarHBondContact OH-ND2 2.97Å; Y622-N647 VanDerWaalsContact OH-ND2 3.15Å; Y622-S711 VanDerWaalsContact CD1-OG 3.25Å; Y622-S711 WeakPolarHBondContact CD1-OG 3.45Å; Y622-Y715 VanDerWaalsContact CE1-O 3.3Å; Y622-Y715 WeakPolarHBondContact CE1-O 3.46Å; Y622-A720 PolarHBondContact OH-N 3.15Å
623	S	98.4	Very high	97.2	Very high	38 Å²	38	62.5 Å²	62.5	27%	0.266	31%	0.311	S	S	.	.	H	α-helix	trans	-64.6	-25.5	175.9	-56.4	0	0	0	0	113.3	I619 N620 Y625 N633 V634 G636	I619-S623 VanDerWaalsContact O-CB 3.23Å; I619-S623 WeakPolarHBondContact O-CB 3.05Å; I619-S623 PolarHBondContact O-N 3.38Å; I619-S623 PolarHBondContact O-OG 3.17Å; N620-S623 PolarHBondContact O-N 3.5Å; S623-Y625 VanDerWaalsContact C-N 3.26Å; S623-Y625 PolarHBondContact O-N 2.74Å; S623-N633 PolarHBondContact O-ND2 3.43Å; S623-V634 WeakPolarHBondContact CA-O 3.5Å; S623-G636 WeakPolarHBondContact OG-CA 3.06Å; S623-G636 PolarHBondContact OG-N 3.34Å
624	N	98	Very high	97.3	Very high	128 Å²	128	57.7 Å²	57.7	68%	0.684	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-10.5	176.9	-70.1	-15.6	0	0	0	113.5	N620 Q621 Y622 Y626	N620-N624 VanDerWaalsContact O-CG 3.25Å; N620-N624 PolarHBondContact O-N 3.19Å; N620-N624 VanDerWaalsContact O-N 3.16Å; N620-N624 PolarHBondContact O-ND2 3.28Å; Q621-N624 PolarHBondContact O-N 2.62Å; Y622-N624 PolarHBondContact O-N 3.03Å; N624-Y626 PolarHBondContact O-N 3.5Å
625	Y	98.2	Very high	97.3	Very high	44 Å²	44	56.6 Å²	56.6	17%	0.173	28%	0.284	C	S	.	.			trans	-79.6	111.6	178.3	-68.5	-41.8	0	0	0	112	Q621 Y622 S623 N633 V634 Y715	Q621-Y625 HydrophobicContact CG-CE2 4.04Å; Q621-Y625 PolarHBondContact NE2-OH 2.95Å; Q621-Y625 VanDerWaalsContact NE2-OH 3.09Å; Y622-Y625 AromaticContact CD1-CD2 3.99Å; Y622-Y625 HydrophobicContact CD1-CD2 3.99Å; Y622-Y625 HydrophobicContact CD1-CE2 4Å; Y622-Y625 HydrophobicContact CE1-CE2 4.35Å; Y622-Y625 HydrophobicContact CG-CD2 4.2Å; Y622-Y625 HydrophobicContact CG-CE2 4.13Å; Y622-Y625 WeakPolarHBondContact O-CB 3.41Å; Y622-Y625 PolarHBondContact O-N 3.11Å; Y622-Y625 VanDerWaalsContact O-N 3.11Å; S623-Y625 VanDerWaalsContact C-N 3.26Å; S623-Y625 PolarHBondContact O-N 2.74Å; Y625-N633 CarbonylContact O-C 3.31Å; Y625-N633 WeakPolarHBondContact O-CA 3.5Å; Y625-V634 PolarHBondContact O-N 3.02Å; Y625-Y715 AromaticContact CD1-CD1 3.73Å; Y625-Y715 HydrophobicContact CD1-CD1 3.73Å; Y625-Y715 AromaticContact CD1-CE1 3.62Å; Y625-Y715 HydrophobicContact CD1-CE1 3.62Å; Y625-Y715 AromaticContact CD2-CD1 3.63Å; Y625-Y715 HydrophobicContact CD2-CD1 3.63Å; Y625-Y715 HydrophobicContact CD2-CD2 4.5Å; Y625-Y715 HydrophobicContact CD2-CE1 4.27Å; Y625-Y715 AromaticContact CD2-CG 3.78Å; Y625-Y715 HydrophobicContact CD2-CG 3.78Å; Y625-Y715 HydrophobicContact CE1-CD1 4.23Å; Y625-Y715 HydrophobicContact CE1-CE1 4.36Å; Y625-Y715 HydrophobicContact CE2-CD1 4.16Å; Y625-Y715 AromaticContact CG-CD1 3.44Å; Y625-Y715 HydrophobicContact CG-CD1 3.44Å; Y625-Y715 VanDerWaalsContact CG-CD1 3.44Å; Y625-Y715 HydrophobicContact CG-CD2 4.35Å; Y625-Y715 AromaticContact CG-CE1 3.59Å; Y625-Y715 HydrophobicContact CG-CE1 3.59Å; Y625-Y715 HydrophobicContact CG-CE2 4.43Å; Y625-Y715 AromaticContact CG-CG 3.86Å; Y625-Y715 HydrophobicContact CG-CG 3.86Å
626	Y	98	Very high	97.3	Very high	120 Å²	120	56.3 Å²	56.3	47%	0.471	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	115.8	172.8	-179.8	-104.9	0	0	0	111.2	N624 K628 G631 N633 Y715	N624-Y626 PolarHBondContact O-N 3.5Å; Y626-K628 HydrophobicContact CE1-CB 4.28Å; Y626-K628 PolarHBondContact O-N 3.37Å; Y626-G631 VanDerWaalsContact CE2-C 3.48Å; Y626-G631 WeakPolarHBondContact CE2-O 3.39Å; Y626-G631 WeakPolarHBondContact OH-CA 3.46Å; Y626-N633 WeakPolarHBondContact CD2-OD1 3.4Å; Y626-Y715 PolarHBondContact O-OH 2.58Å
627	W	97.3	Very high	97.2	Very high	22 Å²	22	56.4 Å²	56.4	8%	0.083	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	99.1	176.1	-163.7	14.3	0	0	0	110.9	K629 A630 G631 L632 Y696 A701 Q704 V705 P712 Y715	W627-K629 HydrophobicContact CD2-CB 4.4Å; W627-K629 HydrophobicContact CG-CB 4.45Å; W627-K629 HydrophobicContact CZ2-CB 4.46Å; W627-K629 PolarHBondContact O-N 3.36Å; W627-A630 HydrophobicContact CB-CB 4.31Å; W627-A630 HydrophobicContact CD2-CB 4.33Å; W627-A630 HydrophobicContact CE3-CB 3.94Å; W627-A630 HydrophobicContact CG-CB 4.49Å; W627-A630 PolarHBondContact O-N 2.96Å; W627-G631 PolarHBondContact O-N 3.43Å; W627-L632 PolarHBondContact N-O 3.37Å; W627-Y696 HydrophobicContact CH2-CD1 4.43Å; W627-Y696 AromaticContact CH2-CD2 3.59Å; W627-Y696 HydrophobicContact CH2-CD2 3.59Å; W627-Y696 HydrophobicContact CH2-CE2 4.11Å; W627-Y696 AromaticContact CH2-CG 3.78Å; W627-Y696 HydrophobicContact CH2-CG 3.78Å; W627-Y696 HydrophobicContact CZ2-CD2 4.04Å; W627-Y696 HydrophobicContact CZ2-CG 4.39Å; W627-A701 HydrophobicContact CE3-CB 4.14Å; W627-A701 HydrophobicContact CH2-CB 3.82Å; W627-A701 HydrophobicContact CZ2-CB 4.27Å; W627-A701 HydrophobicContact CZ3-CB 3.74Å; W627-Q704 HydrophobicContact CZ3-CB 4.28Å; W627-Q704 HydrophobicContact CZ3-CG 4.21Å; W627-V705 HydrophobicContact CE3-CG2 3.73Å; W627-V705 HydrophobicContact CZ3-CG2 4.3Å; W627-P712 HydrophobicContact CD2-CB 3.77Å; W627-P712 HydrophobicContact CD2-CG 3.86Å; W627-P712 HydrophobicContact CE3-CB 3.52Å; W627-P712 HydrophobicContact CE3-CG 3.27Å; W627-P712 HydrophobicContact CG-CG 4.49Å; W627-P712 HydrophobicContact CH2-CB 3.85Å; W627-P712 HydrophobicContact CH2-CG 4.36Å; W627-P712 HydrophobicContact CZ2-CB 4.08Å; W627-P712 HydrophobicContact CZ3-CB 3.57Å; W627-P712 HydrophobicContact CZ3-CG 3.57Å; W627-Y715 HydrophobicContact CB-CE2 3.97Å; W627-Y715 HydrophobicContact CG-CE2 4.32Å
628	K	96.2	Very high	97	Very high	184 Å²	184	57.1 Å²	57.1	80%	0.8	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-36.1	-179.8	-173.9	178.8	179	-179.1	0	113.5	Y626 A630 G631	Y626-K628 HydrophobicContact CE1-CB 4.28Å; Y626-K628 PolarHBondContact O-N 3.37Å; K628-A630 VanDerWaalsContact C-N 3.31Å; K628-A630 PolarHBondContact O-N 2.9Å; K628-G631 PolarHBondContact O-N 3.25Å
629	K	95.3	Very high	97	Very high	101 Å²	101	57.2 Å²	57.2	44%	0.439	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-34.3	179.9	-168.6	61.8	167.2	-178.1	0	113.1	W627 Y696 P698 A701	W627-K629 HydrophobicContact CD2-CB 4.4Å; W627-K629 HydrophobicContact CG-CB 4.45Å; W627-K629 HydrophobicContact CZ2-CB 4.46Å; W627-K629 PolarHBondContact O-N 3.36Å; K629-Y696 WeakPolarHBondContact CE-O 3.34Å; K629-P698 HydrophobicContact CD-CG 4.27Å; K629-P698 WeakPolarHBondContact O-CA 3.4Å; K629-A701 HydrophobicContact CB-CB 4.29Å; K629-A701 HydrophobicContact CG-CB 3.9Å
630	A	95.4	Very high	97	Very high	12 Å²	12	55.9 Å²	55.9	10%	0.099	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-17.7	177.9	0	0	0	0	0	113	W627 K628 L632 A701 V705	W627-A630 HydrophobicContact CB-CB 4.31Å; W627-A630 HydrophobicContact CD2-CB 4.33Å; W627-A630 HydrophobicContact CE3-CB 3.94Å; W627-A630 HydrophobicContact CG-CB 4.49Å; W627-A630 PolarHBondContact O-N 2.96Å; K628-A630 VanDerWaalsContact C-N 3.31Å; K628-A630 PolarHBondContact O-N 2.9Å; A630-L632 HydrophobicContact CB-CB 4.42Å; A630-L632 PolarHBondContact O-N 3.28Å; A630-A701 HydrophobicContact CB-CB 3.91Å; A630-V705 HydrophobicContact CB-CG2 3.83Å
631	G	95.3	Very high	96.9	Very high	37 Å²	37	51.7 Å²	51.7	38%	0.381	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	17.3	-171.7	0	0	0	0	0	113.9	Y626 W627 K628	Y626-G631 VanDerWaalsContact CE2-C 3.48Å; Y626-G631 WeakPolarHBondContact CE2-O 3.39Å; Y626-G631 WeakPolarHBondContact OH-CA 3.46Å; W627-G631 PolarHBondContact O-N 3.43Å; K628-G631 PolarHBondContact O-N 3.25Å
632	L	95.9	Very high	96.9	Very high	41 Å²	41	52.9 Å²	52.9	22%	0.215	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153.6	-170.5	-65	175.7	0	0	0	112.2	W627 A630 R702 V705 Q706	W627-L632 PolarHBondContact N-O 3.37Å; A630-L632 HydrophobicContact CB-CB 4.42Å; A630-L632 PolarHBondContact O-N 3.28Å; L632-R702 HydrophobicContact CD1-CG 3.88Å; L632-V705 HydrophobicContact CB-CB 4.45Å; L632-V705 HydrophobicContact CB-CG1 3.8Å; L632-V705 HydrophobicContact CD1-CB 4.34Å; L632-V705 HydrophobicContact CD1-CG1 4.07Å; L632-Q706 HydrophobicContact CD1-CG 4.29Å
633	N	97.7	Very high	96.9	Very high	78 Å²	78	52.9 Å²	52.9	42%	0.417	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	145.4	166	-75.1	73.8	0	0	0	111.2	S623 Y625 Y626 V705	S623-N633 PolarHBondContact O-ND2 3.43Å; Y625-N633 CarbonylContact O-C 3.31Å; Y625-N633 WeakPolarHBondContact O-CA 3.5Å; Y626-N633 WeakPolarHBondContact CD2-OD1 3.4Å; N633-V705 WeakPolarHBondContact O-CG1 3.33Å
634	V	97.9	Very high	96.9	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.03	25%	0.246	C	C	.	.			trans	-61.7	139.5	170.4	176	0	0	0	0	109.4	Y622 S623 Y625 G636 T639 P712 Y715	Y622-V634 WeakPolarHBondContact O-CB 3.45Å; S623-V634 WeakPolarHBondContact CA-O 3.5Å; Y625-V634 PolarHBondContact O-N 3.02Å; V634-G636 PolarHBondContact O-N 3.5Å; V634-G636 VanDerWaalsContact O-N 3.15Å; V634-T639 HydrophobicContact CG1-CG2 4.1Å; V634-P712 HydrophobicContact CG2-CG 3.8Å; V634-Y715 HydrophobicContact CG2-CD2 3.55Å; V634-Y715 HydrophobicContact CG2-CE2 3.91Å; V634-Y715 HydrophobicContact CG2-CG 4.47Å
635	K	96.6	Very high	97	Very high	55 Å²	55	45 Å²	45	24%	0.239	21%	0.213	C	C	.	.			trans	-84.4	83.8	176	-66.8	-176.5	-178.9	178.4	0	110.2	E289 K637 R638 T639 Q706	E289-K635 IonicContact OE1-NZ 3.31Å; K635-K637 PolarHBondContact O-N 3.39Å; K635-K637 VanDerWaalsContact O-N 3.07Å; K635-R638 HydrophobicContact CB-CB 3.65Å; K635-R638 HydrophobicContact CD-CB 4.44Å; K635-R638 WeakPolarHBondContact O-CA 3.42Å; K635-R638 VanDerWaalsContact O-CB 3.31Å; K635-R638 WeakPolarHBondContact O-CB 3.41Å; K635-R638 PolarHBondContact O-N 3.31Å; K635-T639 PolarHBondContact O-N 2.86Å; K635-T639 PolarHBondContact O-OG1 3.11Å; K635-Q706 PolarHBondContact NZ-O 3.17Å
636	G	96.6	Very high	97	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-30.5	-173.3	0	0	0	0	0	115.4	S623 V634 L640	S623-G636 WeakPolarHBondContact OG-CA 3.06Å; S623-G636 PolarHBondContact OG-N 3.34Å; V634-G636 PolarHBondContact O-N 3.5Å; V634-G636 VanDerWaalsContact O-N 3.15Å; G636-L640 PolarHBondContact O-N 2.99Å
637	K	94.8	Very high	97	Very high	127 Å²	127	37.6 Å²	37.6	55%	0.552	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-37.6	172.5	-175	-179.5	177.2	-172	0	112.6	I619 K635	I619-K637 HydrophobicContact CG2-CB 4.42Å; K635-K637 PolarHBondContact O-N 3.39Å; K635-K637 VanDerWaalsContact O-N 3.07Å
638	R	94.4	Very high	97.1	Very high	62 Å²	62	36.7 Å²	36.7	23%	0.234	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-40.9	179.1	173.7	62.5	-179.1	142.7	-1.8	110.9	E289 K635 L640 I707 G708	E289-R638 HydrophobicContact CG-CB 4.18Å; K635-R638 HydrophobicContact CB-CB 3.65Å; K635-R638 HydrophobicContact CD-CB 4.44Å; K635-R638 WeakPolarHBondContact O-CA 3.42Å; K635-R638 VanDerWaalsContact O-CB 3.31Å; K635-R638 WeakPolarHBondContact O-CB 3.41Å; K635-R638 PolarHBondContact O-N 3.31Å; R638-L640 VanDerWaalsContact C-N 3.32Å; R638-I707 PolarHBondContact NE-O 3.48Å; R638-I707 PolarHBondContact NH2-O 2.91Å; R638-G708 WeakPolarHBondContact CG-O 3.07Å
639	T	97.6	Very high	97.2	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.031	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	5	-176	62.9	0	0	0	0	113.9	V634 K635 G641 E642 N643 A709 S711	V634-T639 HydrophobicContact CG1-CG2 4.1Å; K635-T639 PolarHBondContact O-N 2.86Å; K635-T639 PolarHBondContact O-OG1 3.11Å; T639-G641 PolarHBondContact O-N 3.01Å; T639-E642 PolarHBondContact O-N 3.2Å; T639-N643 WeakPolarHBondContact O-CB 3.18Å; T639-N643 PolarHBondContact O-N 3.1Å; T639-N643 PolarHBondContact O-ND2 3.14Å; T639-N643 PolarHBondContact O-OD1 2.77Å; T639-N643 PolarHBondContact OG1-ND2 3.18Å; T639-A709 VanDerWaalsContact CA-O 3.25Å; T639-A709 WeakPolarHBondContact CA-O 3.44Å; T639-S711 WeakPolarHBondContact CB-OG 3.31Å; T639-S711 PolarHBondContact OG1-OG 3.09Å
640	L	97.7	Very high	97.4	Very high	12 Å²	12	23.1 Å²	23.1	6%	0.063	12%	0.123	C	C	.	.	H	α-helix	trans	-58.1	-43.6	-169.2	-179.9	60.1	0	0	0	113.3	N588 T615 M618 I619 G636 R638 N643 I644	N588-L640 HydrophobicContact CB-CD2 4.1Å; T615-L640 HydrophobicContact CG2-CD1 4.49Å; M618-L640 HydrophobicContact CB-CD1 4.07Å; I619-L640 HydrophobicContact CD1-CD2 3.94Å; I619-L640 HydrophobicContact CG1-CD1 3.87Å; I619-L640 HydrophobicContact CG1-CD2 3.98Å; I619-L640 HydrophobicContact CG1-CG 4.37Å; G636-L640 PolarHBondContact O-N 2.99Å; R638-L640 VanDerWaalsContact C-N 3.32Å; L640-N643 PolarHBondContact O-N 3.17Å; L640-I644 HydrophobicContact CD1-CD1 3.89Å; L640-I644 HydrophobicContact CD1-CG1 4.05Å; L640-I644 HydrophobicContact CG-CD1 3.8Å; L640-I644 HydrophobicContact CG-CG1 4.4Å; L640-I644 WeakPolarHBondContact O-CB 3.34Å; L640-I644 VanDerWaalsContact O-CG1 3.26Å; L640-I644 WeakPolarHBondContact O-CG1 3.34Å; L640-I644 PolarHBondContact O-N 3.34Å
641	G	97.3	Very high	97.5	Very high	10 Å²	10	23.3 Å²	23.3	10%	0.103	12%	0.121	C	C	.	.	H	α-helix	trans	-61.4	-48.9	-179	0	0	0	0	0	111.8	N588 T639 N643 I644 A645	N588-G641 WeakPolarHBondContact OD1-CA 3.4Å; N588-G641 PolarHBondContact OD1-N 2.68Å; T639-G641 PolarHBondContact O-N 3.01Å; G641-N643 VanDerWaalsContact C-N 3.34Å; G641-N643 PolarHBondContact O-N 3.35Å; G641-I644 PolarHBondContact O-N 3.15Å; G641-A645 WeakPolarHBondContact O-CB 3.31Å; G641-A645 PolarHBondContact O-N 3.06Å
642	E	98.3	Very high	97.7	Very high	30 Å²	30	21.5 Å²	21.5	14%	0.14	10%	0.103	C	C	.	.	H	α-helix	trans	-65.7	-36.1	177.2	-55.8	-52.2	147.1	0	0	112.5	H580 H584 T639 A645 D646 A709 H710	H580-E642 IonicContact CE1-OE2 3.35Å; H580-E642 PolarHBondContact CE1-OE2 3.16Å; H580-E642 IonicContact NE2-OE2 3.75Å; H580-E642 PolarHBondContact NE2-OE2 3.3Å; H584-E642 VanDerWaalsContact CE1-CD 3.47Å; H584-E642 IonicContact CE1-OE1 2.67Å; H584-E642 PolarHBondContact CE1-OE1 3.26Å; H584-E642 IonicContact CE1-OE2 3.95Å; H584-E642 PolarHBondContact CE1-OE2 2.89Å; H584-E642 IonicContact NE2-OE1 2.75Å; H584-E642 IonicContact NE2-OE2 2.69Å; H584-E642 PolarHBondContact NE2-OE2 2.78Å; T639-E642 PolarHBondContact O-N 3.2Å; E642-A645 PolarHBondContact O-N 2.94Å; E642-D646 WeakPolarHBondContact O-CB 3.39Å; E642-D646 PolarHBondContact O-N 3.44Å; E642-A709 HydrophobicContact CG-CB 4.25Å; E642-A709 WeakPolarHBondContact CG-O 3.3Å; E642-H710 HydrophobicContact CG-CB 4.4Å; E642-H710 IonicContact OE2-CD2 2.79Å; E642-H710 PolarHBondContact OE2-CD2 2.93Å; E642-H710 IonicContact OE2-CE1 2.79Å; E642-H710 IonicContact OE2-NE2 2.84Å; E642-H710 PolarHBondContact OE2-NE2 3.16Å
643	N	98.6	Very high	97.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-68.5	-39.7	177	-66.5	-15.9	0	0	0	111.5	Y622 T639 L640 G641 A645 N647 S711	Y622-N643 WeakPolarHBondContact CB-ND2 3.45Å; Y622-N643 WeakPolarHBondContact CD1-ND2 3.35Å; Y622-N643 HydrophobicContact CD2-CB 4.25Å; Y622-N643 WeakPolarHBondContact CD2-ND2 3.35Å; Y622-N643 HydrophobicContact CE1-CB 4.26Å; Y622-N643 VanDerWaalsContact CE1-CG 3.45Å; Y622-N643 VanDerWaalsContact CE1-OD1 3.24Å; Y622-N643 WeakPolarHBondContact CE1-OD1 3.43Å; Y622-N643 HydrophobicContact CE2-CB 3.89Å; T639-N643 WeakPolarHBondContact O-CB 3.18Å; T639-N643 PolarHBondContact O-N 3.1Å; T639-N643 PolarHBondContact O-ND2 3.14Å; T639-N643 PolarHBondContact O-OD1 2.77Å; T639-N643 PolarHBondContact OG1-ND2 3.18Å; L640-N643 PolarHBondContact O-N 3.17Å; G641-N643 VanDerWaalsContact C-N 3.34Å; G641-N643 PolarHBondContact O-N 3.35Å; N643-A645 VanDerWaalsContact C-N 3.33Å; N643-N647 WeakPolarHBondContact O-CB 3.37Å; N643-N647 PolarHBondContact O-N 2.84Å; N643-N647 VanDerWaalsContact O-N 3.11Å; N643-N647 PolarHBondContact O-ND2 2.76Å; N643-S711 PolarHBondContact ND2-OG 3.03Å; N643-S711 PolarHBondContact OD1-OG 3.46Å
644	I	98.8	Very high	97.9	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-60.3	-46.7	172.7	-72.4	165.4	0	0	0	109.6	T583 D587 N588 F611 T615 M618 L640 G641 N647 G648 L748	T583-I644 HydrophobicContact CG2-CG2 3.85Å; D587-I644 HydrophobicContact CB-CB 4.36Å; D587-I644 HydrophobicContact CB-CG2 4.04Å; N588-I644 HydrophobicContact CB-CD1 4.35Å; F611-I644 HydrophobicContact CZ-CD1 4.1Å; T615-I644 HydrophobicContact CG2-CD1 3.67Å; T615-I644 HydrophobicContact CG2-CG1 4.34Å; M618-I644 HydrophobicContact SD-CG1 3.77Å; L640-I644 HydrophobicContact CD1-CD1 3.89Å; L640-I644 HydrophobicContact CD1-CG1 4.05Å; L640-I644 HydrophobicContact CG-CD1 3.8Å; L640-I644 HydrophobicContact CG-CG1 4.4Å; L640-I644 WeakPolarHBondContact O-CB 3.34Å; L640-I644 VanDerWaalsContact O-CG1 3.26Å; L640-I644 WeakPolarHBondContact O-CG1 3.34Å; L640-I644 PolarHBondContact O-N 3.34Å; G641-I644 PolarHBondContact O-N 3.15Å; I644-N647 PolarHBondContact O-N 2.89Å; I644-G648 PolarHBondContact O-N 3.34Å; I644-L748 HydrophobicContact CB-CD2 4.4Å; I644-L748 HydrophobicContact CD1-CD2 3.97Å; I644-L748 HydrophobicContact CG1-CD2 3.88Å; I644-L748 HydrophobicContact CG2-CD2 3.66Å
645	A	98.8	Very high	97.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65.7	-43.3	-179.6	0	0	0	0	0	113	H580 G641 E642 N643 N647 G648 G649	H580-A645 VanDerWaalsContact CE1-CB 3.41Å; H580-A645 WeakPolarHBondContact CE1-CB 3.47Å; H580-A645 WeakPolarHBondContact O-CB 3.33Å; G641-A645 WeakPolarHBondContact O-CB 3.31Å; G641-A645 PolarHBondContact O-N 3.06Å; E642-A645 PolarHBondContact O-N 2.94Å; N643-A645 VanDerWaalsContact C-N 3.33Å; A645-N647 VanDerWaalsContact C-N 3.34Å; A645-N647 PolarHBondContact O-N 3.04Å; A645-G648 PolarHBondContact O-N 3.22Å; A645-G649 PolarHBondContact O-N 2.81Å
646	D	98.7	Very high	98	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.4	-40.2	176.2	-85.7	-40.8	0	0	0	111.7	H580 E642 L650 R692 R716 A720	H580-D646 IonicContact CE1-OD1 2.82Å; H580-D646 PolarHBondContact ND1-N 2.94Å; H580-D646 IonicContact ND1-OD1 3.68Å; H580-D646 PolarHBondContact ND1-OD1 3.49Å; E642-D646 WeakPolarHBondContact O-CB 3.39Å; E642-D646 PolarHBondContact O-N 3.44Å; D646-L650 VanDerWaalsContact O-CB 3.26Å; D646-L650 WeakPolarHBondContact O-CB 3.34Å; D646-L650 PolarHBondContact O-N 2.85Å; D646-R692 IonicContact OD1-CZ 2.76Å; D646-R692 IonicContact OD1-NE 3.49Å; D646-R692 PolarHBondContact OD1-NE 3.14Å; D646-R692 IonicContact OD1-NH2 2.74Å; D646-R692 PolarHBondContact OD1-NH2 3.37Å; D646-R716 IonicContact OD1-CZ 3.14Å; D646-R716 IonicContact OD1-NE 3.96Å; D646-R716 PolarHBondContact OD1-NE 2.96Å; D646-R716 IonicContact OD1-NH2 3.84Å; D646-R716 PolarHBondContact OD1-NH2 3.14Å; D646-R716 WeakPolarHBondContact OD2-CG 3.36Å; D646-R716 IonicContact OD2-CZ 3.5Å; D646-R716 IonicContact OD2-NE 3.33Å; D646-R716 PolarHBondContact OD2-NE 3.39Å; D646-R716 IonicContact OD2-NH2 2.95Å; D646-R716 PolarHBondContact OD2-NH2 3.34Å; D646-A720 HydrophobicContact CB-CB 4.35Å
647	N	98.6	Very high	98.1	Very high	7 Å²	7	15.9 Å²	15.9	4%	0.037	7%	0.071	C	C	.	.	H	α-helix	trans	-73.9	-43.7	179.6	-79.9	-104.9	0	0	0	111.9	M618 Y622 N643 I644 A645 R651 N723	M618-N647 HydrophobicContact CE-CB 3.66Å; Y622-N647 PolarHBondContact OH-ND2 2.97Å; Y622-N647 VanDerWaalsContact OH-ND2 3.15Å; N643-N647 WeakPolarHBondContact O-CB 3.37Å; N643-N647 PolarHBondContact O-N 2.84Å; N643-N647 VanDerWaalsContact O-N 3.11Å; N643-N647 PolarHBondContact O-ND2 2.76Å; I644-N647 PolarHBondContact O-N 2.89Å; A645-N647 VanDerWaalsContact C-N 3.34Å; A645-N647 PolarHBondContact O-N 3.04Å; N647-R651 WeakPolarHBondContact O-CG 3.38Å; N647-R651 PolarHBondContact O-N 3.35Å; N647-N723 PolarHBondContact OD1-ND2 3.38Å
648	G	98.4	Very high	98.2	Very high	3 Å²	3	12 Å²	12	3%	0.031	5%	0.053	C	C	.	.	H	α-helix	trans	-64.9	-53.5	177.8	0	0	0	0	0	111.3	I644 A645 L650 R651 E652	I644-G648 PolarHBondContact O-N 3.34Å; A645-G648 PolarHBondContact O-N 3.22Å; G648-L650 VanDerWaalsContact C-N 3.29Å; G648-L650 PolarHBondContact O-N 3.29Å; G648-R651 PolarHBondContact O-N 3.3Å; G648-E652 WeakPolarHBondContact O-CB 3.45Å; G648-E652 VanDerWaalsContact O-CG 3.27Å; G648-E652 WeakPolarHBondContact O-CG 3.35Å; G648-E652 PolarHBondContact O-N 2.93Å
649	G	98.5	Very high	98.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.3	-35.6	-178.4	0	0	0	0	0	113.9	T583 A645 A653	T583-G649 PolarHBondContact OG1-N 3.22Å; A645-G649 PolarHBondContact O-N 2.81Å; G649-A653 WeakPolarHBondContact O-CB 3.48Å; G649-A653 PolarHBondContact O-N 3.31Å
650	L	98.6	Very high	98.4	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-62.4	-44.9	174.6	-178.6	64.3	0	0	0	111.9	V576 D646 G648 F654 F684 F685 Y688 A720 I721 F724	V576-L650 HydrophobicContact CG1-CB 4.39Å; V576-L650 HydrophobicContact CG2-CD1 4.05Å; D646-L650 VanDerWaalsContact O-CB 3.26Å; D646-L650 WeakPolarHBondContact O-CB 3.34Å; D646-L650 PolarHBondContact O-N 2.85Å; G648-L650 VanDerWaalsContact C-N 3.29Å; G648-L650 PolarHBondContact O-N 3.29Å; L650-F654 WeakPolarHBondContact O-CB 3.32Å; L650-F654 PolarHBondContact O-N 2.96Å; L650-F654 VanDerWaalsContact O-N 3.11Å; L650-F684 HydrophobicContact CD1-CE1 3.59Å; L650-F684 HydrophobicContact CD1-CZ 4.08Å; L650-F685 HydrophobicContact CD1-CD1 4.39Å; L650-F685 HydrophobicContact CD1-CE1 4.32Å; L650-Y688 HydrophobicContact CB-CE2 4.43Å; L650-Y688 HydrophobicContact CD1-CD1 4.13Å; L650-Y688 HydrophobicContact CD1-CD2 3.74Å; L650-Y688 HydrophobicContact CD1-CE1 4.41Å; L650-Y688 HydrophobicContact CD1-CE2 4.01Å; L650-Y688 HydrophobicContact CD1-CG 3.78Å; L650-Y688 HydrophobicContact CD2-CE1 4.36Å; L650-A720 HydrophobicContact CD2-CB 4.23Å; L650-I721 HydrophobicContact CD2-CG1 3.97Å; L650-F724 HydrophobicContact CD2-CD1 3.86Å; L650-F724 HydrophobicContact CG-CD1 3.85Å; L650-F724 HydrophobicContact CG-CE1 4.13Å
651	R	98.4	Very high	98.5	Very high	15 Å²	15	12.7 Å²	12.7	6%	0.057	6%	0.056	C	C	.	.	H	α-helix	trans	-69.2	-46.4	179	-72.8	177.2	168.6	-85.9	-1.9	111.7	M449 N647 G648 A653 F654 R655 N723 F724 E725	M449-R651 HydrophobicContact CE-CB 4.19Å; M449-R651 HydrophobicContact SD-CB 4.43Å; N647-R651 WeakPolarHBondContact O-CG 3.38Å; N647-R651 PolarHBondContact O-N 3.35Å; G648-R651 PolarHBondContact O-N 3.3Å; R651-A653 PolarHBondContact O-N 3Å; R651-F654 PolarHBondContact O-N 3.33Å; R651-R655 WeakPolarHBondContact O-CB 3.48Å; R651-R655 PolarHBondContact O-N 3.47Å; R651-N723 PolarHBondContact NH2-O 2.88Å; R651-F724 HydrophobicContact CG-CD2 4.02Å; R651-F724 HydrophobicContact CG-CE1 4.44Å; R651-F724 HydrophobicContact CG-CE2 3.92Å; R651-F724 HydrophobicContact CG-CG 4.34Å; R651-F724 HydrophobicContact CG-CZ 4.14Å; R651-E725 IonicContact CZ-OE1 3.01Å; R651-E725 IonicContact CZ-OE2 2.76Å; R651-E725 IonicContact NH1-OE1 2.69Å; R651-E725 PolarHBondContact NH1-OE1 2.94Å; R651-E725 IonicContact NH1-OE2 2.6Å; R651-E725 PolarHBondContact NH1-OE2 3.48Å; R651-E725 IonicContact NH2-OE1 3.97Å; R651-E725 IonicContact NH2-OE2 3.66Å; R651-E725 PolarHBondContact NH2-OE2 2.83Å
652	E	98.8	Very high	98.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-57.6	-49.7	178.4	-69.7	166	-157.8	0	0	110.8	V442 A445 F446 M449 G579 T583 G648 R655 A656	V442-E652 HydrophobicContact CG1-CB 4.21Å; V442-E652 WeakPolarHBondContact CG1-OE2 3.36Å; A445-E652 HydrophobicContact CB-CB 4.36Å; A445-E652 WeakPolarHBondContact CB-O 3.48Å; F446-E652 HydrophobicContact CB-CG 4.32Å; F446-E652 WeakPolarHBondContact CD2-OE1 3.43Å; M449-E652 HydrophobicContact CE-CG 4.16Å; M449-E652 HydrophobicContact SD-CG 4.18Å; G579-E652 WeakPolarHBondContact CA-OE2 3.47Å; T583-E652 PolarHBondContact OG1-OE1 2.93Å; G648-E652 WeakPolarHBondContact O-CB 3.45Å; G648-E652 VanDerWaalsContact O-CG 3.27Å; G648-E652 WeakPolarHBondContact O-CG 3.35Å; G648-E652 PolarHBondContact O-N 2.93Å; E652-R655 PolarHBondContact O-N 2.9Å; E652-A656 VanDerWaalsContact O-CB 3.31Å; E652-A656 WeakPolarHBondContact O-CB 3.22Å; E652-A656 PolarHBondContact O-N 3.33Å
653	A	98.8	Very high	98.4	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-67.3	-39.7	-179.1	0	0	0	0	0	113	Y571 G575 V576 G649 R651 A656 Y657 F684	Y571-A653 WeakPolarHBondContact CD1-O 3.37Å; G575-A653 VanDerWaalsContact C-CB 3.47Å; V576-A653 HydrophobicContact CB-CB 4.29Å; V576-A653 HydrophobicContact CG2-CB 3.69Å; G649-A653 WeakPolarHBondContact O-CB 3.48Å; G649-A653 PolarHBondContact O-N 3.31Å; R651-A653 PolarHBondContact O-N 3Å; A653-A656 PolarHBondContact O-N 2.87Å; A653-Y657 WeakPolarHBondContact O-CB 3.44Å; A653-Y657 PolarHBondContact O-N 3.26Å; A653-F684 HydrophobicContact CB-CE2 4.17Å; A653-F684 HydrophobicContact CB-CZ 4.12Å
654	F	98.8	Very high	98.3	Very high	7 Å²	7	28.4 Å²	28.4	3%	0.031	13%	0.125	C	C	.	.	H	α-helix	trans	-64.9	-44	175.9	-171.2	-96.5	0	0	0	111	L650 R651 A656 Y657 R658 N681 F684 F685 F724 E726	L650-F654 WeakPolarHBondContact O-CB 3.32Å; L650-F654 PolarHBondContact O-N 2.96Å; L650-F654 VanDerWaalsContact O-N 3.11Å; R651-F654 PolarHBondContact O-N 3.33Å; F654-A656 PolarHBondContact O-N 3.21Å; F654-Y657 WeakPolarHBondContact O-CB 3.42Å; F654-Y657 PolarHBondContact O-N 3.33Å; F654-R658 HydrophobicContact CD1-CG 3.95Å; F654-R658 HydrophobicContact CE1-CG 3.66Å; F654-R658 HydrophobicContact CZ-CG 4.15Å; F654-R658 VanDerWaalsContact O-CG 3.31Å; F654-R658 WeakPolarHBondContact O-CG 3.38Å; F654-R658 PolarHBondContact O-N 2.98Å; F654-N681 HydrophobicContact CE2-CB 4.26Å; F654-N681 HydrophobicContact CZ-CB 4.44Å; F654-F684 HydrophobicContact CB-CE1 3.87Å; F654-F684 HydrophobicContact CB-CE2 4.18Å; F654-F684 HydrophobicContact CB-CZ 3.63Å; F654-F684 AromaticContact CD2-CD1 3.6Å; F654-F684 HydrophobicContact CD2-CD1 3.6Å; F654-F684 HydrophobicContact CD2-CD2 4.23Å; F654-F684 AromaticContact CD2-CE1 3.68Å; F654-F684 HydrophobicContact CD2-CE1 3.68Å; F654-F684 HydrophobicContact CD2-CE2 4.29Å; F654-F684 AromaticContact CD2-CG 3.91Å; F654-F684 HydrophobicContact CD2-CG 3.91Å; F654-F684 HydrophobicContact CD2-CZ 4.05Å; F654-F684 HydrophobicContact CE2-CD1 4.3Å; F654-F684 HydrophobicContact CE2-CG 4.49Å; F654-F684 HydrophobicContact CG-CE1 4.26Å; F654-F684 HydrophobicContact CG-CZ 4.37Å; F654-F685 HydrophobicContact CD2-CE2 4.42Å; F654-F685 HydrophobicContact CD2-CZ 4.04Å; F654-F685 AromaticContact CE2-CE2 4Å; F654-F685 HydrophobicContact CE2-CE2 4Å; F654-F685 HydrophobicContact CE2-CZ 4.01Å; F654-F724 HydrophobicContact CB-CE1 3.76Å; F654-F724 HydrophobicContact CB-CZ 3.78Å; F654-F724 HydrophobicContact CD1-CE1 4.3Å; F654-F724 AromaticContact CD1-CZ 3.77Å; F654-F724 HydrophobicContact CD1-CZ 3.77Å; F654-F724 AromaticContact CG-CE1 3.98Å; F654-F724 HydrophobicContact CG-CE1 3.98Å; F654-F724 AromaticContact CG-CZ 3.89Å; F654-F724 HydrophobicContact CG-CZ 3.89Å; F654-E726 HydrophobicContact CD1-CB 3.97Å; F654-E726 HydrophobicContact CD1-CG 3.91Å; F654-E726 HydrophobicContact CE1-CB 3.54Å; F654-E726 HydrophobicContact CE1-CG 3.55Å; F654-E726 HydrophobicContact CZ-CB 3.93Å; F654-E726 HydrophobicContact CZ-CG 4.38Å
655	R	98.6	Very high	98.1	Very high	53 Å²	53	31.8 Å²	31.8	20%	0.2	14%	0.138	C	C	.	.	H	α-helix	trans	-62.6	-43	177	-165.2	-167.3	-164.1	94.6	-0.8	111.6	W444 A445 D448 E453 R651 E652 Y657 R658 K659	W444-R655 HydrophobicContact CH2-CG 4.38Å; W444-R655 HydrophobicContact CZ3-CG 3.98Å; A445-R655 HydrophobicContact CB-CB 4.03Å; A445-R655 HydrophobicContact CB-CG 4.37Å; D448-R655 IonicContact OD2-CZ 3.7Å; D448-R655 IonicContact OD2-NE 3.21Å; D448-R655 PolarHBondContact OD2-NE 3.39Å; D448-R655 IonicContact OD2-NH2 2.91Å; D448-R655 PolarHBondContact OD2-NH2 2.77Å; E453-R655 VanDerWaalsContact CD-NH1 3.25Å; E453-R655 IonicContact OE1-CZ 3.39Å; E453-R655 IonicContact OE1-NH1 2.77Å; E453-R655 PolarHBondContact OE1-NH1 3.47Å; E453-R655 IonicContact OE1-NH2 3.3Å; E453-R655 PolarHBondContact OE1-NH2 2.81Å; E453-R655 IonicContact OE2-NH1 3.42Å; E453-R655 PolarHBondContact OE2-NH1 3.44Å; R651-R655 WeakPolarHBondContact O-CB 3.48Å; R651-R655 PolarHBondContact O-N 3.47Å; E652-R655 PolarHBondContact O-N 2.9Å; R655-Y657 VanDerWaalsContact C-N 3.32Å; R655-Y657 PolarHBondContact O-N 3.06Å; R655-R658 PolarHBondContact O-N 3.48Å; R655-K659 PolarHBondContact O-N 2.95Å
656	A	98.8	Very high	98	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-60.4	-41.9	174.7	0	0	0	0	0	111.7	G441 A445 Y571 E652 A653 F654 K659 W660	G441-A656 VanDerWaalsContact C-CB 3.47Å; G441-A656 WeakPolarHBondContact O-CB 3.48Å; A445-A656 HydrophobicContact CB-CB 4.25Å; Y571-A656 HydrophobicContact CD1-CB 4.17Å; Y571-A656 HydrophobicContact CE1-CB 3.71Å; E652-A656 VanDerWaalsContact O-CB 3.31Å; E652-A656 WeakPolarHBondContact O-CB 3.22Å; E652-A656 PolarHBondContact O-N 3.33Å; A653-A656 PolarHBondContact O-N 2.87Å; F654-A656 PolarHBondContact O-N 3.21Å; A656-K659 WeakPolarHBondContact O-CB 3.25Å; A656-K659 PolarHBondContact O-N 3.43Å; A656-W660 PolarHBondContact O-N 3.4Å
657	Y	98.6	Very high	97.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-46.5	175.6	177	-137.2	0	0	0	112.4	R567 S568 Y571 A653 F654 R655 K659 W660 I661 E670 N680 F684	R567-Y657 HydrophobicContact CB-CD2 4.3Å; R567-Y657 HydrophobicContact CB-CE2 3.93Å; S568-Y657 WeakPolarHBondContact CB-OH 3.35Å; Y571-Y657 AromaticContact CD2-CD2 3.64Å; Y571-Y657 HydrophobicContact CD2-CD2 3.64Å; Y571-Y657 HydrophobicContact CD2-CG 4.15Å; Y571-Y657 HydrophobicContact CE2-CD2 4.2Å; Y571-Y657 HydrophobicContact CG-CD2 4.05Å; Y571-Y657 HydrophobicContact CG-CG 4.08Å; A653-Y657 WeakPolarHBondContact O-CB 3.44Å; A653-Y657 PolarHBondContact O-N 3.26Å; F654-Y657 WeakPolarHBondContact O-CB 3.42Å; F654-Y657 PolarHBondContact O-N 3.33Å; R655-Y657 VanDerWaalsContact C-N 3.32Å; R655-Y657 PolarHBondContact O-N 3.06Å; Y657-K659 VanDerWaalsContact C-N 3.32Å; Y657-K659 PolarHBondContact O-N 3.23Å; Y657-W660 HydrophobicContact CD2-CE3 4.44Å; Y657-W660 HydrophobicContact CE2-CE3 4.26Å; Y657-W660 WeakPolarHBondContact O-CB 3.34Å; Y657-W660 PolarHBondContact O-N 2.94Å; Y657-W660 VanDerWaalsContact O-N 3.12Å; Y657-I661 HydrophobicContact CD2-CG1 4.37Å; Y657-I661 HydrophobicContact CE2-CD1 3.85Å; Y657-I661 HydrophobicContact CE2-CG1 3.92Å; Y657-I661 PolarHBondContact O-N 3.48Å; Y657-E670 VanDerWaalsContact CE2-OE2 3.24Å; Y657-E670 WeakPolarHBondContact CE2-OE2 3.32Å; Y657-E670 VanDerWaalsContact CZ-OE2 3.3Å; Y657-E670 PolarHBondContact OH-OE2 3.07Å; Y657-N680 VanDerWaalsContact OH-CB 3.29Å; Y657-N680 WeakPolarHBondContact OH-CB 3.25Å; Y657-F684 HydrophobicContact CD1-CD2 4.14Å
658	R	98.4	Very high	97.6	Very high	46 Å²	46	46 Å²	46	17%	0.174	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-38.1	177.6	-61.9	-64.8	84.3	-165.6	2.6	111.8	F654 R655 I661 N662 E669 N681	F654-R658 HydrophobicContact CD1-CG 3.95Å; F654-R658 HydrophobicContact CE1-CG 3.66Å; F654-R658 HydrophobicContact CZ-CG 4.15Å; F654-R658 VanDerWaalsContact O-CG 3.31Å; F654-R658 WeakPolarHBondContact O-CG 3.38Å; F654-R658 PolarHBondContact O-N 2.98Å; R655-R658 PolarHBondContact O-N 3.48Å; R658-I661 PolarHBondContact O-N 3.37Å; R658-N662 PolarHBondContact O-N 2.89Å; R658-N662 VanDerWaalsContact O-N 3.14Å; R658-N662 PolarHBondContact O-ND2 2.92Å; R658-E669 IonicContact CZ-OE1 2.67Å; R658-E669 IonicContact CZ-OE2 3.45Å; R658-E669 IonicContact NH1-OE1 3.83Å; R658-E669 PolarHBondContact NH1-OE1 2.89Å; R658-E669 IonicContact NH1-OE2 3.25Å; R658-E669 PolarHBondContact NH1-OE2 3.46Å; R658-E669 IonicContact NH2-OE1 3.23Å; R658-E669 IonicContact NH2-OE2 3.7Å; R658-E669 PolarHBondContact NH2-OE2 2.88Å; R658-N681 PolarHBondContact NE-OD1 3.49Å; R658-N681 PolarHBondContact NH1-OD1 2.88Å; R658-N681 VanDerWaalsContact NH1-OD1 3.15Å; R658-N681 PolarHBondContact NH2-OD1 3.48Å
659	K	98.1	Very high	97.5	Very high	60 Å²	60	49.7 Å²	49.7	26%	0.261	24%	0.237	S	C	.	.	H	α-helix	trans	-61.4	-44.6	170.6	173.3	171.6	176.5	52.9	0	111.7	W444 R655 A656 Y657 I661 N662 D663	W444-K659 HydrophobicContact CD2-CD 3.31Å; W444-K659 VanDerWaalsContact CE2-CD 3.49Å; W444-K659 HydrophobicContact CE3-CB 4.22Å; W444-K659 HydrophobicContact CE3-CD 3.26Å; W444-K659 HydrophobicContact CE3-CG 4.36Å; W444-K659 HydrophobicContact CG-CD 4.06Å; W444-K659 HydrophobicContact CH2-CB 4.03Å; W444-K659 HydrophobicContact CH2-CD 3.64Å; W444-K659 HydrophobicContact CH2-CG 4.33Å; W444-K659 HydrophobicContact CZ2-CD 3.67Å; W444-K659 HydrophobicContact CZ3-CB 3.68Å; W444-K659 HydrophobicContact CZ3-CD 3.43Å; W444-K659 VanDerWaalsContact CZ3-CD 3.43Å; W444-K659 HydrophobicContact CZ3-CG 4.16Å; R655-K659 PolarHBondContact O-N 2.95Å; A656-K659 WeakPolarHBondContact O-CB 3.25Å; A656-K659 PolarHBondContact O-N 3.43Å; Y657-K659 VanDerWaalsContact C-N 3.32Å; Y657-K659 PolarHBondContact O-N 3.23Å; K659-I661 VanDerWaalsContact C-N 3.31Å; K659-I661 PolarHBondContact O-N 3.11Å; K659-N662 WeakPolarHBondContact O-CB 3.19Å; K659-N662 PolarHBondContact O-N 3.12Å; K659-N662 VanDerWaalsContact O-N 3.11Å; K659-D663 VanDerWaalsContact CE-OD2 3.22Å; K659-D663 WeakPolarHBondContact CE-OD2 3.33Å; K659-D663 WeakPolarHBondContact CG-OD2 3.39Å; K659-D663 IonicContact NZ-OD1 3.45Å; K659-D663 PolarHBondContact NZ-OD1 3.1Å; K659-D663 IonicContact NZ-OD2 2.58Å; K659-D663 PolarHBondContact NZ-OD2 3.16Å; K659-D663 PolarHBondContact O-N 2.9Å
660	W	97.9	Very high	97.3	Very high	30 Å²	30	50.5 Å²	50.5	11%	0.114	24%	0.241	C	C	.	.	H	α-helix	trans	-58.9	-42.4	178.3	-179.3	95.3	0	0	0	111.9	E437 R567 Y571 A656 Y657 N662 D663 R664 R665 E670	E437-W660 VanDerWaalsContact OE1-CD1 3.23Å; E437-W660 PolarHBondContact OE1-NE1 2.87Å; E437-W660 VanDerWaalsContact OE1-NE1 3.11Å; E437-W660 PolarHBondContact OE2-NE1 3.24Å; R567-W660 HydrophobicContact CB-CD2 4.39Å; R567-W660 HydrophobicContact CB-CE3 3.97Å; R567-W660 HydrophobicContact CB-CH2 4.03Å; R567-W660 HydrophobicContact CB-CZ2 4.43Å; R567-W660 HydrophobicContact CB-CZ3 3.75Å; R567-W660 HydrophobicContact CG-CD2 4.1Å; R567-W660 HydrophobicContact CG-CE3 3.97Å; R567-W660 HydrophobicContact CG-CH2 3.26Å; R567-W660 HydrophobicContact CG-CZ2 3.4Å; R567-W660 VanDerWaalsContact CG-CZ2 3.4Å; R567-W660 HydrophobicContact CG-CZ3 3.54Å; Y571-W660 HydrophobicContact CE2-CB 4.17Å; Y571-W660 HydrophobicContact CE2-CG 4.1Å; A656-W660 PolarHBondContact O-N 3.4Å; Y657-W660 HydrophobicContact CD2-CE3 4.44Å; Y657-W660 HydrophobicContact CE2-CE3 4.26Å; Y657-W660 WeakPolarHBondContact O-CB 3.34Å; Y657-W660 PolarHBondContact O-N 2.94Å; Y657-W660 VanDerWaalsContact O-N 3.12Å; W660-N662 PolarHBondContact O-N 3.5Å; W660-D663 PolarHBondContact O-N 3.31Å; W660-R664 HydrophobicContact CD2-CB 4.25Å; W660-R664 HydrophobicContact CD2-CG 4.31Å; W660-R664 HydrophobicContact CG-CB 4.48Å; W660-R664 HydrophobicContact CG-CG 4.09Å; W660-R664 HydrophobicContact CZ2-CB 4.17Å; W660-R664 VanDerWaalsContact O-CB 3.26Å; W660-R664 WeakPolarHBondContact O-CB 3.47Å; W660-R664 PolarHBondContact O-N 2.88Å; W660-R665 HydrophobicContact CH2-CG 4.01Å; W660-R665 VanDerWaalsContact CZ3-CD 3.46Å; W660-R665 HydrophobicContact CZ3-CG 4Å; W660-E670 HydrophobicContact CZ3-CG 4.04Å
661	I	98.1	Very high	97.1	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-58	-47.5	172.7	-65	-66.2	0	0	0	111.2	Y657 R658 K659 R665 Q666 G667 E670	Y657-I661 HydrophobicContact CD2-CG1 4.37Å; Y657-I661 HydrophobicContact CE2-CD1 3.85Å; Y657-I661 HydrophobicContact CE2-CG1 3.92Å; Y657-I661 PolarHBondContact O-N 3.48Å; R658-I661 PolarHBondContact O-N 3.37Å; K659-I661 VanDerWaalsContact C-N 3.31Å; K659-I661 PolarHBondContact O-N 3.11Å; I661-R665 CarbonylContact O-C 3.46Å; I661-R665 VanDerWaalsContact O-C 3.28Å; I661-R665 VanDerWaalsContact O-CA 3.3Å; I661-R665 WeakPolarHBondContact O-CA 3.32Å; I661-R665 VanDerWaalsContact O-CB 3.3Å; I661-R665 WeakPolarHBondContact O-CB 3.49Å; I661-R665 PolarHBondContact O-N 3.49Å; I661-Q666 PolarHBondContact O-N 3.13Å; I661-G667 PolarHBondContact O-N 2.96Å; I661-G667 VanDerWaalsContact O-N 3.09Å; I661-E670 HydrophobicContact CD1-CG 3.8Å
662	N	97.8	Very high	97	Very high	99 Å²	99	52.1 Å²	52.1	53%	0.529	25%	0.252	S	S	.	.	H	α-helix	trans	-62.7	-47.5	-180	-68.8	-24.1	0	0	0	112.3	R658 K659 W660 Q666	R658-N662 PolarHBondContact O-N 2.89Å; R658-N662 VanDerWaalsContact O-N 3.14Å; R658-N662 PolarHBondContact O-ND2 2.92Å; K659-N662 WeakPolarHBondContact O-CB 3.19Å; K659-N662 PolarHBondContact O-N 3.12Å; K659-N662 VanDerWaalsContact O-N 3.11Å; W660-N662 PolarHBondContact O-N 3.5Å; N662-Q666 WeakPolarHBondContact O-CA 3.28Å; N662-Q666 PolarHBondContact O-N 2.96Å; N662-Q666 VanDerWaalsContact O-N 3.15Å
663	D	97	Very high	96.9	Very high	94 Å²	94	52.1 Å²	52.1	50%	0.503	25%	0.252	S	S	.	.	H	α-helix	trans	-79.7	-44.2	-172.7	-67.7	-2.7	0	0	0	112.9	K659 W660	K659-D663 VanDerWaalsContact CE-OD2 3.22Å; K659-D663 WeakPolarHBondContact CE-OD2 3.33Å; K659-D663 WeakPolarHBondContact CG-OD2 3.39Å; K659-D663 IonicContact NZ-OD1 3.45Å; K659-D663 PolarHBondContact NZ-OD1 3.1Å; K659-D663 IonicContact NZ-OD2 2.58Å; K659-D663 PolarHBondContact NZ-OD2 3.16Å; K659-D663 PolarHBondContact O-N 2.9Å; W660-D663 PolarHBondContact O-N 3.31Å
664	R	95.9	Very high	96.7	Very high	177 Å²	177	53.3 Å²	53.3	67%	0.668	26%	0.26	S	S	*	.	H	α-helix	trans	-93.1	-23.6	-172.5	-58.1	-57.3	-164.1	178.1	2	113.1	W660	W660-R664 HydrophobicContact CD2-CB 4.25Å; W660-R664 HydrophobicContact CD2-CG 4.31Å; W660-R664 HydrophobicContact CG-CB 4.48Å; W660-R664 HydrophobicContact CG-CG 4.09Å; W660-R664 HydrophobicContact CZ2-CB 4.17Å; W660-R664 VanDerWaalsContact O-CB 3.26Å; W660-R664 WeakPolarHBondContact O-CB 3.47Å; W660-R664 PolarHBondContact O-N 2.88Å
665	R	95.1	Very high	96.4	Very high	73 Å²	73	56.8 Å²	56.8	28%	0.275	30%	0.298	S	S	.	.	H	α-helix	trans	-121.1	10.3	-179.6	-57	-176.2	58.7	81.7	1.7	113.4	W660 I661 G667 V668 E669	W660-R665 HydrophobicContact CH2-CG 4.01Å; W660-R665 VanDerWaalsContact CZ3-CD 3.46Å; W660-R665 HydrophobicContact CZ3-CG 4Å; I661-R665 CarbonylContact O-C 3.46Å; I661-R665 VanDerWaalsContact O-C 3.28Å; I661-R665 VanDerWaalsContact O-CA 3.3Å; I661-R665 WeakPolarHBondContact O-CA 3.32Å; I661-R665 VanDerWaalsContact O-CB 3.3Å; I661-R665 WeakPolarHBondContact O-CB 3.49Å; I661-R665 PolarHBondContact O-N 3.49Å; R665-G667 PolarHBondContact O-N 3.16Å; R665-G667 VanDerWaalsContact O-N 3.16Å; R665-V668 WeakPolarHBondContact CB-O 3.44Å; R665-V668 PolarHBondContact NE-O 2.82Å; R665-V668 VanDerWaalsContact O-CB 3.3Å; R665-V668 WeakPolarHBondContact O-CB 3.42Å; R665-V668 WeakPolarHBondContact O-CG2 3.17Å; R665-V668 PolarHBondContact O-N 3.01Å; R665-E669 PolarHBondContact NE-O 2.69Å; R665-E669 PolarHBondContact NH2-O 2.84Å
666	Q	96.4	Very high	96.1	Very high	180 Å²	180	54.9 Å²	54.9	84%	0.841	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	33.1	177.4	-55.8	176.5	2.9	0	0	112.8	I661 N662 V668	I661-Q666 PolarHBondContact O-N 3.13Å; N662-Q666 WeakPolarHBondContact O-CA 3.28Å; N662-Q666 PolarHBondContact O-N 2.96Å; N662-Q666 VanDerWaalsContact O-N 3.15Å; Q666-V668 VanDerWaalsContact C-N 3.28Å; Q666-V668 PolarHBondContact O-N 3.37Å
667	G	94.1	Very high	95.8	Very high	39 Å²	39	61 Å²	61	40%	0.402	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-1.3	-177.8	0	0	0	0	0	114.7	I661 R665	I661-G667 PolarHBondContact O-N 2.96Å; I661-G667 VanDerWaalsContact O-N 3.09Å; R665-G667 PolarHBondContact O-N 3.16Å; R665-G667 VanDerWaalsContact O-N 3.16Å
668	V	95.1	Very high	95.7	Very high	86 Å²	86	61.8 Å²	61.8	52%	0.521	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-80.1	122.2	176.7	-175.3	0	0	0	0	109.7	R665 Q666	R665-V668 WeakPolarHBondContact CB-O 3.44Å; R665-V668 PolarHBondContact NE-O 2.82Å; R665-V668 VanDerWaalsContact O-CB 3.3Å; R665-V668 WeakPolarHBondContact O-CB 3.42Å; R665-V668 WeakPolarHBondContact O-CG2 3.17Å; R665-V668 PolarHBondContact O-N 3.01Å; Q666-V668 VanDerWaalsContact C-N 3.28Å; Q666-V668 PolarHBondContact O-N 3.37Å
669	E	95	Very high	95.6	Very high	80 Å²	80	62.4 Å²	62.4	37%	0.374	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-57.9	157.4	176.8	-70.9	-64.6	160.2	0	0	112.3	R658 R665	R658-E669 IonicContact CZ-OE1 2.67Å; R658-E669 IonicContact CZ-OE2 3.45Å; R658-E669 IonicContact NH1-OE1 3.83Å; R658-E669 PolarHBondContact NH1-OE1 2.89Å; R658-E669 IonicContact NH1-OE2 3.25Å; R658-E669 PolarHBondContact NH1-OE2 3.46Å; R658-E669 IonicContact NH2-OE1 3.23Å; R658-E669 IonicContact NH2-OE2 3.7Å; R658-E669 PolarHBondContact NH2-OE2 2.88Å; R665-E669 PolarHBondContact NE-O 2.69Å; R665-E669 PolarHBondContact NH2-O 2.84Å
670	E	95.5	Very high	95.6	Very high	17 Å²	17	59.8 Å²	59.8	8%	0.079	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-68.7	150.9	172.9	-58.6	178.4	91.9	0	0	110.7	P566 R567 S568 Y657 W660 I661 N680	P566-E670 WeakPolarHBondContact CA-OE1 3.28Å; R567-E670 PolarHBondContact N-OE1 2.9Å; R567-E670 PolarHBondContact N-OE2 2.76Å; S568-E670 PolarHBondContact N-OE2 2.6Å; S568-E670 VanDerWaalsContact N-OE2 3.17Å; Y657-E670 VanDerWaalsContact CE2-OE2 3.24Å; Y657-E670 WeakPolarHBondContact CE2-OE2 3.32Å; Y657-E670 VanDerWaalsContact CZ-OE2 3.3Å; Y657-E670 PolarHBondContact OH-OE2 3.07Å; W660-E670 HydrophobicContact CZ3-CG 4.04Å; I661-E670 HydrophobicContact CD1-CG 3.8Å; E670-N680 PolarHBondContact O-ND2 3.02Å
671	P	95	Very high	95.6	Very high	31 Å²	31	60 Å²	60	20%	0.201	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-57.7	144.7	171.7	-21.7	33.5	0	0	0	110.8	E52 C54	E52-P671 HydrophobicContact CB-CB 4.42Å; E52-P671 HydrophobicContact CG-CB 4.13Å; E52-P671 HydrophobicContact CG-CG 4.28Å; E52-P671 CarbonylContact O-C 3.13Å; E52-P671 WeakPolarHBondContact O-CA 3.49Å; C54-P671 HydrophobicContact CB-CB 4.07Å
672	L	95.9	Very high	95.7	Very high	20 Å²	20	61.4 Å²	61.4	11%	0.105	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-72.7	154.9	180	-64.6	-171.1	0	0	0	112	Q51 E52 Y53 C54	Q51-L672 HydrophobicContact CG-CD1 3.76Å; Q51-L672 HydrophobicContact CG-CG 4.48Å; E52-L672 PolarHBondContact O-N 2.64Å; Y53-L672 CarbonylContact C-O 3.41Å; Y53-L672 WeakPolarHBondContact CA-O 3.34Å; Y53-L672 HydrophobicContact CD1-CB 3.92Å; Y53-L672 HydrophobicContact CE1-CB 4.06Å; C54-L672 PolarHBondContact N-O 3.38Å
673	L	96.6	Very high	95.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-71.1	139.5	171.5	-72.2	-173.1	0	0	0	110.7	C59 A62 A63 I66 P566 I676 L683	C59-L673 HydrophobicContact CB-CD2 3.65Å; C59-L673 WeakPolarHBondContact O-CD2 3.35Å; A62-L673 HydrophobicContact CB-CD1 4.01Å; A62-L673 HydrophobicContact CB-CD2 4.27Å; A63-L673 HydrophobicContact CB-CB 4.13Å; A63-L673 HydrophobicContact CB-CD1 4.47Å; I66-L673 HydrophobicContact CD1-CD1 3.64Å; P566-L673 HydrophobicContact CG-CD2 3.69Å; P566-L673 HydrophobicContact CG-CG 4.29Å; L673-I676 HydrophobicContact CB-CD1 3.7Å; L673-I676 HydrophobicContact CB-CG1 3.8Å; L673-I676 HydrophobicContact CD1-CD1 3.94Å; L673-I676 HydrophobicContact CG-CD1 4.46Å; L673-L683 HydrophobicContact CB-CD1 4.39Å; L673-L683 HydrophobicContact CD1-CD1 3.58Å; L673-L683 HydrophobicContact CD1-CD2 4.15Å; L673-L683 HydrophobicContact CG-CD1 3.73Å
674	P	94.8	Very high	95.8	Very high	25 Å²	25	52.2 Å²	52.2	16%	0.162	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	147.9	-177.1	30.9	-33.1	0	0	0	111	C54 L55 I60 A63 I676	C54-P674 VanDerWaalsContact O-CD 3.24Å; C54-P674 WeakPolarHBondContact O-CD 3.48Å; C54-P674 WeakPolarHBondContact O-CG 3.02Å; L55-P674 HydrophobicContact CD2-CB 3.97Å; L55-P674 HydrophobicContact CD2-CG 4.44Å; I60-P674 HydrophobicContact CG1-CG 3.9Å; A63-P674 VanDerWaalsContact CB-O 3.25Å; A63-P674 WeakPolarHBondContact CB-O 3.28Å; P674-I676 PolarHBondContact O-N 3.2Å
675	G	91.4	Very high	95.9	Very high	80 Å²	80	43.8 Å²	43.8	83%	0.825	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	0.8	173.5	0	0	0	0	0	115.9
676	I	92.9	Very high	96.1	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.067	25%	0.246	C	C	.	.			trans	-130.8	154.3	173.7	60.5	176.5	0	0	0	110.6	A63 I66 L67 L673 P674 F678 L683	A63-I676 HydrophobicContact CB-CD1 4.21Å; A63-I676 HydrophobicContact CB-CG1 4.42Å; I66-I676 HydrophobicContact CG2-CD1 4.37Å; L67-I676 HydrophobicContact CB-CG2 4.13Å; L67-I676 HydrophobicContact CD1-CG2 4.16Å; L67-I676 HydrophobicContact CD2-CG2 4.33Å; L67-I676 HydrophobicContact CG-CG2 4.44Å; L673-I676 HydrophobicContact CB-CD1 3.7Å; L673-I676 HydrophobicContact CB-CG1 3.8Å; L673-I676 HydrophobicContact CD1-CD1 3.94Å; L673-I676 HydrophobicContact CG-CD1 4.46Å; P674-I676 PolarHBondContact O-N 3.2Å; I676-F678 HydrophobicContact CB-CD2 4.29Å; I676-F678 HydrophobicContact CD1-CD2 4.18Å; I676-L683 HydrophobicContact CD1-CD2 4.07Å
677	T	91.6	Very high	96.2	Very high	130 Å²	130	31.8 Å²	31.8	80%	0.798	21%	0.206	S	C	*	.			trans	-98.4	8.2	-174.6	57.1	0	0	0	0	113.5
678	F	96.8	Very high	96.4	Very high	16 Å²	16	30 Å²	30	7%	0.07	19%	0.187	C	C	.	.			trans	-79	133.1	-176.5	-62.5	-57	0	0	0	112	I66 V70 L72 F83 I676 Q682 L683 L686	I66-F678 HydrophobicContact CG2-CD2 4.4Å; V70-F678 HydrophobicContact CG1-CE2 4.48Å; V70-F678 HydrophobicContact CG1-CZ 4.15Å; V70-F678 HydrophobicContact CG2-CE2 4.4Å; L72-F678 HydrophobicContact CD2-CZ 4.15Å; F83-F678 HydrophobicContact CE1-CE1 4.35Å; F83-F678 HydrophobicContact CE1-CZ 4.33Å; F83-F678 AromaticContact CZ-CE1 3.78Å; F83-F678 HydrophobicContact CZ-CE1 3.78Å; F83-F678 AromaticContact CZ-CZ 3.69Å; F83-F678 HydrophobicContact CZ-CZ 3.69Å; I676-F678 HydrophobicContact CB-CD2 4.29Å; I676-F678 HydrophobicContact CD1-CD2 4.18Å; F678-Q682 VanDerWaalsContact CA-OE1 3.31Å; F678-Q682 HydrophobicContact CB-CB 4.14Å; F678-Q682 HydrophobicContact CD1-CB 4.21Å; F678-L683 HydrophobicContact CB-CD2 3.75Å; F678-L683 HydrophobicContact CB-CG 4.1Å; F678-L686 HydrophobicContact CB-CD1 4.43Å; F678-L686 HydrophobicContact CD1-CD1 4.14Å; F678-L686 HydrophobicContact CD2-CD1 3.66Å; F678-L686 HydrophobicContact CE1-CD1 4.35Å; F678-L686 HydrophobicContact CE2-CD1 3.89Å; F678-L686 HydrophobicContact CG-CD1 3.81Å; F678-L686 HydrophobicContact CZ-CD1 4.24Å
679	T	97.3	Very high	96.5	Very high	59 Å²	59	25.9 Å²	25.9	36%	0.362	16%	0.162	S	C	.	.			trans	-72.5	161.9	169.6	67.8	0	0	0	0	110.9	N681 Q682 L683	T679-N681 PolarHBondContact O-N 3.46Å; T679-Q682 WeakPolarHBondContact O-CB 3.34Å; T679-Q682 PolarHBondContact O-N 3.48Å; T679-Q682 WeakPolarHBondContact OG1-CG 3.5Å; T679-Q682 PolarHBondContact OG1-N 3.38Å; T679-Q682 PolarHBondContact OG1-OE1 2.91Å; T679-L683 WeakPolarHBondContact O-CG 3.41Å; T679-L683 PolarHBondContact O-N 2.74Å
680	N	97.9	Very high	96.7	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-59.7	-31.3	177.1	-65.5	-55.9	0	0	0	113.9	S568 Y657 E670 L683 F684	S568-N680 WeakPolarHBondContact CB-O 3.36Å; Y657-N680 VanDerWaalsContact OH-CB 3.29Å; Y657-N680 WeakPolarHBondContact OH-CB 3.25Å; E670-N680 PolarHBondContact O-ND2 3.02Å; N680-L683 PolarHBondContact O-N 2.95Å; N680-F684 PolarHBondContact O-N 3.01Å
681	N	98.3	Very high	96.7	Very high	36 Å²	36	21.4 Å²	21.4	19%	0.193	14%	0.142	C	C	.	.	H	α-helix	trans	-68	-40.5	173.3	-71.8	-16.9	0	0	0	111.7	F654 R658 T679 L683 F684 F685 A730	F654-N681 HydrophobicContact CE2-CB 4.26Å; F654-N681 HydrophobicContact CZ-CB 4.44Å; R658-N681 PolarHBondContact NE-OD1 3.49Å; R658-N681 PolarHBondContact NH1-OD1 2.88Å; R658-N681 VanDerWaalsContact NH1-OD1 3.15Å; R658-N681 PolarHBondContact NH2-OD1 3.48Å; T679-N681 PolarHBondContact O-N 3.46Å; N681-L683 VanDerWaalsContact C-N 3.33Å; N681-F684 WeakPolarHBondContact O-CB 3.43Å; N681-F684 PolarHBondContact O-N 2.69Å; N681-F685 WeakPolarHBondContact O-CD2 3.12Å; N681-F685 PolarHBondContact O-N 2.8Å; N681-A730 HydrophobicContact CB-CB 4.15Å
682	Q	98.6	Very high	96.8	Very high	30 Å²	30	20.5 Å²	20.5	14%	0.14	13%	0.134	C	C	.	.	H	α-helix	trans	-65.6	-38.8	174	-68.6	170.6	-35.6	0	0	111.3	F678 T679 F684 F685 L686 A730 F731	F678-Q682 VanDerWaalsContact CA-OE1 3.31Å; F678-Q682 HydrophobicContact CB-CB 4.14Å; F678-Q682 HydrophobicContact CD1-CB 4.21Å; T679-Q682 WeakPolarHBondContact O-CB 3.34Å; T679-Q682 PolarHBondContact O-N 3.48Å; T679-Q682 WeakPolarHBondContact OG1-CG 3.5Å; T679-Q682 PolarHBondContact OG1-N 3.38Å; T679-Q682 PolarHBondContact OG1-OE1 2.91Å; Q682-F684 VanDerWaalsContact C-N 3.32Å; Q682-F684 PolarHBondContact O-N 3.34Å; Q682-F685 PolarHBondContact O-N 2.77Å; Q682-L686 WeakPolarHBondContact O-CG 3.31Å; Q682-L686 PolarHBondContact O-N 2.92Å; Q682-A730 HydrophobicContact CG-CB 4.28Å; Q682-A730 VanDerWaalsContact CG-O 3.29Å; Q682-A730 WeakPolarHBondContact CG-O 3.41Å; Q682-A730 PolarHBondContact NE2-O 3.44Å; Q682-F731 HydrophobicContact CB-CE1 4.15Å; Q682-F731 HydrophobicContact CB-CE2 3.94Å; Q682-F731 HydrophobicContact CB-CZ 3.57Å; Q682-F731 HydrophobicContact CG-CD1 4.28Å; Q682-F731 HydrophobicContact CG-CD2 4.14Å; Q682-F731 HydrophobicContact CG-CE1 3.9Å; Q682-F731 HydrophobicContact CG-CE2 3.75Å; Q682-F731 HydrophobicContact CG-CG 4.4Å; Q682-F731 HydrophobicContact CG-CZ 3.62Å
683	L	98.5	Very high	96.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62	-36.7	175	-68.6	-178.1	0	0	0	112.9	I66 L569 L673 I676 F678 T679 N680 N681 L686 S687	I66-L683 HydrophobicContact CD1-CD2 3.64Å; I66-L683 HydrophobicContact CG2-CD2 4.48Å; L569-L683 HydrophobicContact CD2-CB 3.94Å; L673-L683 HydrophobicContact CB-CD1 4.39Å; L673-L683 HydrophobicContact CD1-CD1 3.58Å; L673-L683 HydrophobicContact CD1-CD2 4.15Å; L673-L683 HydrophobicContact CG-CD1 3.73Å; I676-L683 HydrophobicContact CD1-CD2 4.07Å; F678-L683 HydrophobicContact CB-CD2 3.75Å; F678-L683 HydrophobicContact CB-CG 4.1Å; T679-L683 WeakPolarHBondContact O-CG 3.41Å; T679-L683 PolarHBondContact O-N 2.74Å; N680-L683 PolarHBondContact O-N 2.95Å; N681-L683 VanDerWaalsContact C-N 3.33Å; L683-L686 HydrophobicContact CD2-CD1 4.27Å; L683-L686 PolarHBondContact O-N 3.28Å; L683-S687 WeakPolarHBondContact O-CB 3.24Å; L683-S687 PolarHBondContact O-N 2.83Å
684	F	98.8	Very high	96.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57.7	-50.6	172.6	171.3	-80.6	0	0	0	111.3	S568 Y571 G572 V576 L650 A653 F654 Y657 N680 N681 Q682 S687 Y688	S568-F684 WeakPolarHBondContact O-CA 3.35Å; Y571-F684 WeakPolarHBondContact O-CE2 3.38Å; G572-F684 VanDerWaalsContact CA-CD2 3.42Å; G572-F684 WeakPolarHBondContact CA-O 3.29Å; G572-F684 VanDerWaalsContact N-CD2 3.27Å; V576-F684 HydrophobicContact CG2-CE1 4.49Å; V576-F684 HydrophobicContact CG2-CE2 4.34Å; V576-F684 HydrophobicContact CG2-CZ 3.79Å; L650-F684 HydrophobicContact CD1-CE1 3.59Å; L650-F684 HydrophobicContact CD1-CZ 4.08Å; A653-F684 HydrophobicContact CB-CE2 4.17Å; A653-F684 HydrophobicContact CB-CZ 4.12Å; F654-F684 HydrophobicContact CB-CE1 3.87Å; F654-F684 HydrophobicContact CB-CE2 4.18Å; F654-F684 HydrophobicContact CB-CZ 3.63Å; F654-F684 AromaticContact CD2-CD1 3.6Å; F654-F684 HydrophobicContact CD2-CD1 3.6Å; F654-F684 HydrophobicContact CD2-CD2 4.23Å; F654-F684 AromaticContact CD2-CE1 3.68Å; F654-F684 HydrophobicContact CD2-CE1 3.68Å; F654-F684 HydrophobicContact CD2-CE2 4.29Å; F654-F684 AromaticContact CD2-CG 3.91Å; F654-F684 HydrophobicContact CD2-CG 3.91Å; F654-F684 HydrophobicContact CD2-CZ 4.05Å; F654-F684 HydrophobicContact CE2-CD1 4.3Å; F654-F684 HydrophobicContact CE2-CG 4.49Å; F654-F684 HydrophobicContact CG-CE1 4.26Å; F654-F684 HydrophobicContact CG-CZ 4.37Å; Y657-F684 HydrophobicContact CD1-CD2 4.14Å; N680-F684 PolarHBondContact O-N 3.01Å; N681-F684 WeakPolarHBondContact O-CB 3.43Å; N681-F684 PolarHBondContact O-N 2.69Å; Q682-F684 VanDerWaalsContact C-N 3.32Å; Q682-F684 PolarHBondContact O-N 3.34Å; F684-S687 PolarHBondContact O-N 3.45Å; F684-Y688 PolarHBondContact O-N 2.59Å
685	F	98.8	Very high	97	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68	-37.9	-179.3	-66.6	-65.8	0	0	0	112.5	F80 L650 F654 N681 Q682 Y688 A689 F724 E726 F727 A730 F731	F80-F685 HydrophobicContact CE1-CB 4.06Å; F80-F685 WeakPolarHBondContact CE1-O 3.33Å; F80-F685 HydrophobicContact CZ-CB 3.88Å; L650-F685 HydrophobicContact CD1-CD1 4.39Å; L650-F685 HydrophobicContact CD1-CE1 4.32Å; F654-F685 HydrophobicContact CD2-CE2 4.42Å; F654-F685 HydrophobicContact CD2-CZ 4.04Å; F654-F685 AromaticContact CE2-CE2 4Å; F654-F685 HydrophobicContact CE2-CE2 4Å; F654-F685 HydrophobicContact CE2-CZ 4.01Å; N681-F685 WeakPolarHBondContact O-CD2 3.12Å; N681-F685 PolarHBondContact O-N 2.8Å; Q682-F685 PolarHBondContact O-N 2.77Å; F685-Y688 WeakPolarHBondContact O-CB 2.89Å; F685-Y688 PolarHBondContact O-N 3.17Å; F685-A689 PolarHBondContact O-N 3.13Å; F685-F724 AromaticContact CE1-CD1 3.69Å; F685-F724 HydrophobicContact CE1-CD1 3.69Å; F685-F724 AromaticContact CE1-CE1 3.88Å; F685-F724 HydrophobicContact CE1-CE1 3.88Å; F685-F724 HydrophobicContact CZ-CD1 4.02Å; F685-F724 AromaticContact CZ-CE1 3.97Å; F685-F724 HydrophobicContact CZ-CE1 3.97Å; F685-E726 HydrophobicContact CZ-CB 4.3Å; F685-F727 HydrophobicContact CB-CD2 4.13Å; F685-F727 HydrophobicContact CD1-CB 4.23Å; F685-F727 HydrophobicContact CD1-CD2 4.02Å; F685-F727 HydrophobicContact CD2-CB 4.46Å; F685-F727 AromaticContact CD2-CD2 3.95Å; F685-F727 HydrophobicContact CD2-CD2 3.95Å; F685-F727 HydrophobicContact CE1-CB 3.84Å; F685-F727 HydrophobicContact CE1-CD2 4.46Å; F685-F727 HydrophobicContact CE2-CB 4.09Å; F685-F727 HydrophobicContact CE2-CD2 4.41Å; F685-F727 AromaticContact CG-CD2 3.76Å; F685-F727 HydrophobicContact CG-CD2 3.76Å; F685-F727 HydrophobicContact CZ-CB 3.78Å; F685-A730 HydrophobicContact CD2-CB 4.08Å; F685-A730 HydrophobicContact CE2-CB 3.81Å; F685-F731 HydrophobicContact CB-CE2 4.05Å; F685-F731 HydrophobicContact CD2-CE2 4.09Å; F685-F731 HydrophobicContact CG-CE2 4.43Å
686	L	98.6	Very high	97.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.2	-45.4	172.4	-77	169.3	0	0	0	111.3	I66 V70 F80 F83 A84 F678 Q682 L683 Y688 A689 H690	I66-L686 HydrophobicContact CG2-CD1 4.06Å; V70-L686 HydrophobicContact CG2-CD1 4.46Å; V70-L686 HydrophobicContact CG2-CD2 3.71Å; F80-L686 HydrophobicContact CZ-CD2 4.01Å; F80-L686 HydrophobicContact CZ-CG 4.22Å; F83-L686 HydrophobicContact CD1-CD2 4.16Å; F83-L686 HydrophobicContact CE1-CD2 3.8Å; A84-L686 HydrophobicContact CB-CD2 3.94Å; F678-L686 HydrophobicContact CB-CD1 4.43Å; F678-L686 HydrophobicContact CD1-CD1 4.14Å; F678-L686 HydrophobicContact CD2-CD1 3.66Å; F678-L686 HydrophobicContact CE1-CD1 4.35Å; F678-L686 HydrophobicContact CE2-CD1 3.89Å; F678-L686 HydrophobicContact CG-CD1 3.81Å; F678-L686 HydrophobicContact CZ-CD1 4.24Å; Q682-L686 WeakPolarHBondContact O-CG 3.31Å; Q682-L686 PolarHBondContact O-N 2.92Å; L683-L686 HydrophobicContact CD2-CD1 4.27Å; L683-L686 PolarHBondContact O-N 3.28Å; L686-Y688 VanDerWaalsContact C-N 3.33Å; L686-Y688 PolarHBondContact O-N 3.31Å; L686-A689 PolarHBondContact O-N 3.23Å; L686-H690 WeakPolarHBondContact O-CB 3.45Å; L686-H690 PolarHBondContact O-N 2.94Å; L686-H690 PolarHBondContact O-ND1 3.08Å
687	S	98.2	Very high	97.5	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.014	11%	0.106	C	C	.	.	H	α-helix	trans	-60.9	-41.9	177.2	-162.3	0	0	0	0	112	L569 A573 L683 F684 A689 H690 V691	L569-S687 WeakPolarHBondContact O-CB 3.39Å; L569-S687 PolarHBondContact O-OG 3.25Å; A573-S687 WeakPolarHBondContact CB-OG 3.38Å; L683-S687 WeakPolarHBondContact O-CB 3.24Å; L683-S687 PolarHBondContact O-N 2.83Å; F684-S687 PolarHBondContact O-N 3.45Å; S687-A689 PolarHBondContact O-N 3.02Å; S687-H690 PolarHBondContact O-N 2.81Å; S687-V691 PolarHBondContact O-N 3.01Å
688	Y	98.4	Very high	97.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60	-42.2	174.6	168	-98.1	0	0	0	113.4	G572 V576 L650 F684 F685 L686 V691 R692 R716 V717 A720 I721	G572-Y688 WeakPolarHBondContact O-CA 3.11Å; G572-Y688 VanDerWaalsContact O-CB 3.25Å; G572-Y688 WeakPolarHBondContact O-CB 3.43Å; G572-Y688 PolarHBondContact O-N 2.67Å; V576-Y688 HydrophobicContact CB-CD2 3.97Å; V576-Y688 HydrophobicContact CB-CE2 4.5Å; V576-Y688 HydrophobicContact CG1-CD2 3.5Å; V576-Y688 VanDerWaalsContact CG1-CD2 3.5Å; V576-Y688 HydrophobicContact CG1-CE2 3.54Å; V576-Y688 HydrophobicContact CG2-CD2 3.87Å; L650-Y688 HydrophobicContact CB-CE2 4.43Å; L650-Y688 HydrophobicContact CD1-CD1 4.13Å; L650-Y688 HydrophobicContact CD1-CD2 3.74Å; L650-Y688 HydrophobicContact CD1-CE1 4.41Å; L650-Y688 HydrophobicContact CD1-CE2 4.01Å; L650-Y688 HydrophobicContact CD1-CG 3.78Å; L650-Y688 HydrophobicContact CD2-CE1 4.36Å; F684-Y688 PolarHBondContact O-N 2.59Å; F685-Y688 WeakPolarHBondContact O-CB 2.89Å; F685-Y688 PolarHBondContact O-N 3.17Å; L686-Y688 VanDerWaalsContact C-N 3.33Å; L686-Y688 PolarHBondContact O-N 3.31Å; Y688-V691 VanDerWaalsContact O-CG2 3.3Å; Y688-V691 WeakPolarHBondContact O-CG2 3.41Å; Y688-R692 PolarHBondContact O-NH1 2.71Å; Y688-R692 VanDerWaalsContact O-NH1 3.1Å; Y688-R716 PolarHBondContact OH-O 3.45Å; Y688-R716 VanDerWaalsContact OH-O 3.05Å; Y688-V717 HydrophobicContact CE1-CG1 4.48Å; Y688-V717 HydrophobicContact CE1-CG2 4.46Å; Y688-A720 WeakPolarHBondContact OH-CB 3.3Å; Y688-I721 HydrophobicContact CD1-CD1 3.77Å; Y688-I721 HydrophobicContact CD1-CG1 4Å; Y688-I721 HydrophobicContact CE1-CD1 3.88Å; Y688-I721 HydrophobicContact CE1-CG1 3.75Å
689	A	98.4	Very high	97.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-71.4	-41.5	177.5	0	0	0	0	0	111.8	F80 A84 F685 L686 S687 V691 R692 C693 V717	F80-A689 HydrophobicContact CD1-CB 4.09Å; F80-A689 HydrophobicContact CE1-CB 3.8Å; A84-A689 HydrophobicContact CB-CB 3.51Å; F685-A689 PolarHBondContact O-N 3.13Å; L686-A689 PolarHBondContact O-N 3.23Å; S687-A689 PolarHBondContact O-N 3.02Å; A689-V691 PolarHBondContact O-N 3.42Å; A689-R692 CarbonylContact O-C 3.6Å; A689-R692 WeakPolarHBondContact O-CA 3.42Å; A689-R692 PolarHBondContact O-N 3.01Å; A689-C693 PolarHBondContact O-N 3.12Å; A689-V717 HydrophobicContact CB-CG1 3.75Å; A689-V717 HydrophobicContact CB-CG2 4.23Å
690	H	97.5	Very high	97.8	Very high	3 Å²	3	15.8 Å²	15.8	1%	0.014	8%	0.082	C	C	.	.	H	α-helix	trans	-57.6	-44.3	-176.5	-73.5	158.6	0	0	0	113.3	K69 A84 V103 L686 S687 R692 C693	K69-H690 HydrophobicContact CD-CB 4.46Å; A84-H690 PolarHBondContact O-CD2 2.85Å; A84-H690 PolarHBondContact O-NE2 3.17Å; V103-H690 VanDerWaalsContact CG2-O 3.28Å; V103-H690 WeakPolarHBondContact CG2-O 3.47Å; L686-H690 WeakPolarHBondContact O-CB 3.45Å; L686-H690 PolarHBondContact O-N 2.94Å; L686-H690 PolarHBondContact O-ND1 3.08Å; S687-H690 PolarHBondContact O-N 2.81Å; H690-R692 PolarHBondContact O-N 3.4Å; H690-R692 VanDerWaalsContact O-N 3.1Å; H690-C693 VanDerWaalsContact CA-SG 3.56Å; H690-C693 PolarHBondContact O-N 3.43Å; H690-C693 VanDerWaalsContact O-N 3.11Å; H690-C693 PolarHBondContact O-SG 3.16Å; H690-C693 VanDerWaalsContact O-SG 3.38Å
691	V	96.3	Very high	97.8	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.006	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.8	178.6	-65	0	0	0	0	113.4	Y104 P558 F559 A573 S687 Y688 A689	Y104-V691 WeakPolarHBondContact CD2-O 3.34Å; Y104-V691 WeakPolarHBondContact CE2-O 3.39Å; P558-V691 HydrophobicContact CG-CG1 4.5Å; F559-V691 HydrophobicContact CD1-CB 3.85Å; F559-V691 HydrophobicContact CD1-CG1 3.63Å; F559-V691 HydrophobicContact CE1-CB 3.53Å; F559-V691 HydrophobicContact CE1-CG1 3.81Å; F559-V691 HydrophobicContact CG-CG1 4.14Å; F559-V691 HydrophobicContact CZ-CB 4.2Å; F559-V691 HydrophobicContact CZ-CG1 4.44Å; A573-V691 HydrophobicContact CB-CG1 3.8Å; S687-V691 PolarHBondContact O-N 3.01Å; Y688-V691 VanDerWaalsContact O-CG2 3.3Å; Y688-V691 WeakPolarHBondContact O-CG2 3.41Å; A689-V691 PolarHBondContact O-N 3.42Å
692	R	96.3	Very high	97.6	Very high	12 Å²	12	14.8 Å²	14.8	5%	0.045	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	3.7	177.4	-69.2	169.2	177.1	72.2	2	113.1	D646 Y688 A689 H690 N694 P713 V717	D646-R692 IonicContact OD1-CZ 2.76Å; D646-R692 IonicContact OD1-NE 3.49Å; D646-R692 PolarHBondContact OD1-NE 3.14Å; D646-R692 IonicContact OD1-NH2 2.74Å; D646-R692 PolarHBondContact OD1-NH2 3.37Å; Y688-R692 PolarHBondContact O-NH1 2.71Å; Y688-R692 VanDerWaalsContact O-NH1 3.1Å; A689-R692 CarbonylContact O-C 3.6Å; A689-R692 WeakPolarHBondContact O-CA 3.42Å; A689-R692 PolarHBondContact O-N 3.01Å; H690-R692 PolarHBondContact O-N 3.4Å; H690-R692 VanDerWaalsContact O-N 3.1Å; R692-N694 PolarHBondContact O-N 3.16Å; R692-N694 VanDerWaalsContact O-N 3.14Å; R692-P713 WeakPolarHBondContact O-CB 3.22Å; R692-V717 HydrophobicContact CB-CG2 3.66Å; R692-V717 HydrophobicContact CG-CG2 4.34Å
693	C	97.9	Very high	97.5	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.007	8%	0.078	C	C	.	.			trans	-64.7	118	175	-57.3	0	0	0	0	110	C85 W88 G102 V103 A689 H690	C85-C693 WeakPolarHBondContact CA-SG 3.14Å; C85-C693 HydrophobicContact CB-CB 3.7Å; C85-C693 WeakPolarHBondContact CB-SG 3.15Å; C85-C693 WeakPolarHBondContact SG-CA 3.24Å; C85-C693 WeakPolarHBondContact SG-CB 3.48Å; C85-C693 CovalentContact SG-SG 2.04Å; C85-C693 PolarHBondContact SG-SG 3.11Å; W88-C693 HydrophobicContact CD2-CB 4.27Å; W88-C693 HydrophobicContact CE3-CB 4.04Å; W88-C693 HydrophobicContact CG-CB 4.48Å; G102-C693 CarbonylContact C-O 3.43Å; G102-C693 WeakPolarHBondContact CA-O 3.46Å; V103-C693 HydrophobicContact CG2-CB 4.14Å; V103-C693 PolarHBondContact N-O 3.48Å; A689-C693 PolarHBondContact O-N 3.12Å; H690-C693 VanDerWaalsContact CA-SG 3.56Å; H690-C693 PolarHBondContact O-N 3.43Å; H690-C693 VanDerWaalsContact O-N 3.11Å; H690-C693 PolarHBondContact O-SG 3.16Å; H690-C693 VanDerWaalsContact O-SG 3.38Å
694	N	97.2	Very high	97.4	Very high	24 Å²	24	17.3 Å²	17.3	13%	0.128	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	144.9	-179.8	-172.6	13.1	0	0	0	110.4	Y101 G102 R692 Y696 P713	Y101-N694 PolarHBondContact N-OD1 3.07Å; Y101-N694 PolarHBondContact O-OD1 3.37Å; G102-N694 WeakPolarHBondContact CA-OD1 3.42Å; G102-N694 PolarHBondContact N-OD1 3.44Å; R692-N694 PolarHBondContact O-N 3.16Å; R692-N694 VanDerWaalsContact O-N 3.14Å; N694-Y696 HydrophobicContact CB-CE2 4.36Å; N694-Y696 WeakPolarHBondContact ND2-CE2 3.41Å; N694-Y696 PolarHBondContact ND2-OH 3.02Å; N694-P713 HydrophobicContact CB-CB 4.27Å; N694-P713 HydrophobicContact CB-CG 3.77Å
695	S	96.9	Very high	97.3	Very high	22 Å²	22	17.8 Å²	17.8	15%	0.154	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146.9	178.4	65.8	0	0	0	0	110.3	I94 S100 Y101	I94-S695 WeakPolarHBondContact CG1-OG 3.42Å; S100-S695 CarbonylContact C-O 3.25Å; S100-S695 WeakPolarHBondContact CA-O 3.5Å; S100-S695 WeakPolarHBondContact CB-O 3.5Å; Y101-S695 PolarHBondContact N-O 2.93Å; Y101-S695 PolarHBondContact O-N 3.23Å; Y101-S695 PolarHBondContact O-OG 3.23Å; Y101-S695 VanDerWaalsContact O-OG 3.06Å
696	Y	97.8	Very high	97	Very high	34 Å²	34	18.4 Å²	18.4	13%	0.133	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.7	-175.5	-75.9	-104.9	0	0	0	110.9	W627 K629 N694 A700 Q704 P713	W627-Y696 HydrophobicContact CH2-CD1 4.43Å; W627-Y696 AromaticContact CH2-CD2 3.59Å; W627-Y696 HydrophobicContact CH2-CD2 3.59Å; W627-Y696 HydrophobicContact CH2-CE2 4.11Å; W627-Y696 AromaticContact CH2-CG 3.78Å; W627-Y696 HydrophobicContact CH2-CG 3.78Å; W627-Y696 HydrophobicContact CZ2-CD2 4.04Å; W627-Y696 HydrophobicContact CZ2-CG 4.39Å; K629-Y696 WeakPolarHBondContact CE-O 3.34Å; N694-Y696 HydrophobicContact CB-CE2 4.36Å; N694-Y696 WeakPolarHBondContact ND2-CE2 3.41Å; N694-Y696 PolarHBondContact ND2-OH 3.02Å; Y696-A700 HydrophobicContact CD1-CB 4.15Å; Y696-Q704 HydrophobicContact CE1-CB 4.15Å; Y696-Q704 HydrophobicContact CE1-CG 4.35Å; Y696-P713 HydrophobicContact CD2-CG 4.45Å; Y696-P713 HydrophobicContact CE2-CG 3.7Å
697	R	97.9	Very high	96.7	Very high	37 Å²	37	20.1 Å²	20.1	14%	0.14	10%	0.101	C	C	.	.			trans	-69.8	151.4	161.3	-62.5	-175.8	-178.8	-97.9	-10.5	109.7	I94 P95 E96 M98 P99 G395 E699 A700 A701	I94-R697 HydrophobicContact CD1-CG 3.98Å; I94-R697 HydrophobicContact CG2-CG 4.28Å; I94-R697 PolarHBondContact O-NH2 2.86Å; P95-R697 PolarHBondContact O-NH2 3.32Å; E96-R697 IonicContact OE1-NH2 3.12Å; E96-R697 PolarHBondContact OE1-NH2 3.24Å; E96-R697 IonicContact OE2-CZ 2.62Å; E96-R697 IonicContact OE2-NH1 3.75Å; E96-R697 IonicContact OE2-NH2 3.59Å; E96-R697 PolarHBondContact OE2-NH2 3.42Å; M98-R697 PolarHBondContact O-NE 2.82Å; P99-R697 WeakPolarHBondContact O-CB 3.49Å; P99-R697 WeakPolarHBondContact O-CG 3.31Å; P99-R697 PolarHBondContact O-N 3.35Å; G395-R697 WeakPolarHBondContact O-CD 3.39Å; G395-R697 PolarHBondContact O-NE 3.19Å; G395-R697 PolarHBondContact O-NH1 2.88Å; G395-R697 VanDerWaalsContact O-NH1 3.15Å; R697-E699 VanDerWaalsContact C-N 3.3Å; R697-E699 PolarHBondContact O-N 3.09Å; R697-A700 PolarHBondContact O-N 3.41Å; R697-A701 WeakPolarHBondContact O-CB 3.42Å; R697-A701 PolarHBondContact O-N 2.92Å
698	P	97	Very high	96.5	Very high	60 Å²	60	20.6 Å²	20.6	39%	0.39	11%	0.106	S	C	.	.	H	α-helix	trans	-54.5	-42.6	-175.4	-26.3	35.5	0	0	0	114.1	K629 A701 R702	K629-P698 HydrophobicContact CD-CG 4.27Å; K629-P698 WeakPolarHBondContact O-CA 3.4Å; P698-A701 WeakPolarHBondContact O-CB 3.32Å; P698-A701 PolarHBondContact O-N 3.42Å; P698-R702 PolarHBondContact O-N 3.48Å
699	E	96.5	Very high	96.3	Very high	58 Å²	58	22.3 Å²	22.3	27%	0.271	12%	0.12	S	C	.	.	H	α-helix	trans	-63.5	-47	-179.6	-55.2	75.8	-168.6	0	0	110.4	G395 R697 A701 R702 E703	G395-E699 WeakPolarHBondContact CA-OE2 3.31Å; R697-E699 VanDerWaalsContact C-N 3.3Å; R697-E699 PolarHBondContact O-N 3.09Å; E699-A701 PolarHBondContact O-N 3.32Å; E699-R702 WeakPolarHBondContact O-CB 3.34Å; E699-R702 PolarHBondContact O-N 2.69Å; E699-E703 PolarHBondContact O-N 3.21Å
700	A	97.3	Very high	96.3	Very high	7 Å²	7	25.2 Å²	25.2	6%	0.058	13%	0.134	C	C	.	.	H	α-helix	trans	-67.7	-33.4	176	0	0	0	0	0	113.1	P99 Y696 R697 R702 E703 Q704	P99-A700 HydrophobicContact CB-CB 3.68Å; P99-A700 WeakPolarHBondContact O-CB 3.24Å; Y696-A700 HydrophobicContact CD1-CB 4.15Å; R697-A700 PolarHBondContact O-N 3.41Å; A700-R702 VanDerWaalsContact C-N 3.33Å; A700-E703 PolarHBondContact O-N 3.16Å; A700-Q704 WeakPolarHBondContact O-CB 3Å; A700-Q704 PolarHBondContact O-N 2.84Å
701	A	97.6	Very high	96.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.3	-39	174.3	0	0	0	0	0	111.1	W627 K629 A630 R697 P698 E699 Q704 V705	W627-A701 HydrophobicContact CE3-CB 4.14Å; W627-A701 HydrophobicContact CH2-CB 3.82Å; W627-A701 HydrophobicContact CZ2-CB 4.27Å; W627-A701 HydrophobicContact CZ3-CB 3.74Å; K629-A701 HydrophobicContact CB-CB 4.29Å; K629-A701 HydrophobicContact CG-CB 3.9Å; A630-A701 HydrophobicContact CB-CB 3.91Å; R697-A701 WeakPolarHBondContact O-CB 3.42Å; R697-A701 PolarHBondContact O-N 2.92Å; P698-A701 WeakPolarHBondContact O-CB 3.32Å; P698-A701 PolarHBondContact O-N 3.42Å; E699-A701 PolarHBondContact O-N 3.32Å; A701-Q704 PolarHBondContact O-N 2.02Å; A701-V705 WeakPolarHBondContact O-CG2 3.48Å; A701-V705 PolarHBondContact O-N 2.9Å; A701-V705 VanDerWaalsContact O-N 3.12Å
702	R	96	Very high	96.4	Very high	19 Å²	19	25.2 Å²	25.2	7%	0.072	13%	0.134	C	C	.	.	H	α-helix	trans	-63	-47.6	173	-178.6	-175.8	170.1	85.8	5.3	111.2	D234 L632 P698 E699 A700 Q704 V705 Q706	D234-R702 IonicContact OD1-CZ 3.24Å; D234-R702 IonicContact OD1-NE 3.36Å; D234-R702 IonicContact OD1-NH2 3.97Å; D234-R702 PolarHBondContact OD1-NH2 3.11Å; L632-R702 HydrophobicContact CD1-CG 3.88Å; P698-R702 PolarHBondContact O-N 3.48Å; E699-R702 WeakPolarHBondContact O-CB 3.34Å; E699-R702 PolarHBondContact O-N 2.69Å; A700-R702 VanDerWaalsContact C-N 3.33Å; R702-Q704 VanDerWaalsContact C-N 3.34Å; R702-Q704 PolarHBondContact O-N 3.13Å; R702-V705 PolarHBondContact O-N 3.06Å; R702-Q706 WeakPolarHBondContact O-CG 3.43Å; R702-Q706 PolarHBondContact O-N 3.28Å
703	E	95.5	Very high	96.4	Very high	45 Å²	45	25.1 Å²	25.1	21%	0.21	14%	0.135	C	C	.	.	H	α-helix	trans	-55.9	-47.9	175	-175.9	178.1	-179.3	0	0	111	V231 Q394 E699 A700 V705 Q706 I707	V231-E703 HydrophobicContact CG2-CG 4.06Å; Q394-E703 PolarHBondContact NE2-OE2 2.83Å; E699-E703 PolarHBondContact O-N 3.21Å; A700-E703 PolarHBondContact O-N 3.16Å; E703-V705 VanDerWaalsContact C-N 3.32Å; E703-V705 PolarHBondContact O-N 3.44Å; E703-Q706 PolarHBondContact O-N 3.04Å; E703-Q706 VanDerWaalsContact O-N 3.09Å; E703-I707 HydrophobicContact CG-CD1 3.76Å; E703-I707 HydrophobicContact CG-CG1 3.88Å; E703-I707 VanDerWaalsContact O-CG1 3.24Å; E703-I707 WeakPolarHBondContact O-CG1 2.98Å; E703-I707 PolarHBondContact O-N 3.3Å
704	Q	96.3	Very high	96.4	Very high	39 Å²	39	26.9 Å²	26.9	18%	0.182	14%	0.143	C	C	.	.	H	α-helix	trans	-56.6	-41.6	177.8	178.1	62.2	28.7	0	0	112.7	W627 Y696 A700 A701 R702 G708 H710	W627-Q704 HydrophobicContact CZ3-CB 4.28Å; W627-Q704 HydrophobicContact CZ3-CG 4.21Å; Y696-Q704 HydrophobicContact CE1-CB 4.15Å; Y696-Q704 HydrophobicContact CE1-CG 4.35Å; A700-Q704 WeakPolarHBondContact O-CB 3Å; A700-Q704 PolarHBondContact O-N 2.84Å; A701-Q704 PolarHBondContact O-N 2.02Å; R702-Q704 VanDerWaalsContact C-N 3.34Å; R702-Q704 PolarHBondContact O-N 3.13Å; Q704-G708 WeakPolarHBondContact O-CA 3.19Å; Q704-G708 PolarHBondContact O-N 3.39Å; Q704-H710 PolarHBondContact NE2-O 3.45Å
705	V	95.8	Very high	96.4	Very high	9 Å²	9	27.2 Å²	27.2	6%	0.055	14%	0.143	C	C	.	.	H	α-helix	trans	-69.9	-36.4	177.7	172.1	0	0	0	0	111.9	W627 A630 L632 N633 A701 R702 E703 P712	W627-V705 HydrophobicContact CE3-CG2 3.73Å; W627-V705 HydrophobicContact CZ3-CG2 4.3Å; A630-V705 HydrophobicContact CB-CG2 3.83Å; L632-V705 HydrophobicContact CB-CB 4.45Å; L632-V705 HydrophobicContact CB-CG1 3.8Å; L632-V705 HydrophobicContact CD1-CB 4.34Å; L632-V705 HydrophobicContact CD1-CG1 4.07Å; N633-V705 WeakPolarHBondContact O-CG1 3.33Å; A701-V705 WeakPolarHBondContact O-CG2 3.48Å; A701-V705 PolarHBondContact O-N 2.9Å; A701-V705 VanDerWaalsContact O-N 3.12Å; R702-V705 PolarHBondContact O-N 3.06Å; E703-V705 VanDerWaalsContact C-N 3.32Å; E703-V705 PolarHBondContact O-N 3.44Å; V705-P712 HydrophobicContact CG2-CG 4.35Å
706	Q	93.4	Very high	96.5	Very high	14 Å²	14	27.6 Å²	27.6	7%	0.065	14%	0.141	C	C	.	.	H	α-helix	trans	-74.6	-46.8	-175.4	-72.8	-71.9	5.2	0	0	112.8	V231 L632 K635 R702 E703	V231-Q706 HydrophobicContact CG1-CB 3.63Å; V231-Q706 HydrophobicContact CG1-CG 3.96Å; V231-Q706 HydrophobicContact CG2-CB 4.14Å; L632-Q706 HydrophobicContact CD1-CG 4.29Å; K635-Q706 PolarHBondContact NZ-O 3.17Å; R702-Q706 WeakPolarHBondContact O-CG 3.43Å; R702-Q706 PolarHBondContact O-N 3.28Å; E703-Q706 PolarHBondContact O-N 3.04Å; E703-Q706 VanDerWaalsContact O-N 3.09Å
707	I	92.5	Very high	96.6	Very high	36 Å²	36	26 Å²	26	19%	0.185	14%	0.135	C	C	.	.	H	α-helix	trans	-119.6	-17.1	-171.2	61.4	163.7	0	0	0	114.5	A230 V231 R638 E703 A709	A230-I707 HydrophobicContact CB-CD1 3.81Å; V231-I707 HydrophobicContact CB-CG2 4.2Å; V231-I707 HydrophobicContact CG1-CG2 4.28Å; V231-I707 HydrophobicContact CG2-CD1 4.43Å; V231-I707 HydrophobicContact CG2-CG1 4.36Å; V231-I707 HydrophobicContact CG2-CG2 3.9Å; R638-I707 PolarHBondContact NE-O 3.48Å; R638-I707 PolarHBondContact NH2-O 2.91Å; E703-I707 HydrophobicContact CG-CD1 3.76Å; E703-I707 HydrophobicContact CG-CG1 3.88Å; E703-I707 VanDerWaalsContact O-CG1 3.24Å; E703-I707 WeakPolarHBondContact O-CG1 2.98Å; E703-I707 PolarHBondContact O-N 3.3Å; I707-A709 PolarHBondContact O-N 2.85Å
708	G	93.7	Very high	96.6	Very high	11 Å²	11	24.9 Å²	24.9	11%	0.113	13%	0.132	C	C	.	.			trans	-59.3	134.5	-179.8	0	0	0	0	0	112.1	R638 Q704	R638-G708 WeakPolarHBondContact CG-O 3.07Å; Q704-G708 WeakPolarHBondContact O-CA 3.19Å; Q704-G708 PolarHBondContact O-N 3.39Å
709	A	94.9	Very high	96.6	Very high	36 Å²	36	22 Å²	22	30%	0.298	11%	0.113	S	C	.	.	S	Bend	trans	-75.3	-30.3	172.1	0	0	0	0	0	111.4	T639 E642 I707	T639-A709 VanDerWaalsContact CA-O 3.25Å; T639-A709 WeakPolarHBondContact CA-O 3.44Å; E642-A709 HydrophobicContact CG-CB 4.25Å; E642-A709 WeakPolarHBondContact CG-O 3.3Å; I707-A709 PolarHBondContact O-N 2.85Å
710	H	97.4	Very high	96.7	Very high	62 Å²	62	19.3 Å²	19.3	29%	0.287	10%	0.101	S	C	.	.	S	Bend	trans	-89.8	145.1	179.2	-68.3	87.1	0	0	0	111.8	E642 Q704 R716	E642-H710 HydrophobicContact CG-CB 4.4Å; E642-H710 IonicContact OE2-CD2 2.79Å; E642-H710 PolarHBondContact OE2-CD2 2.93Å; E642-H710 IonicContact OE2-CE1 2.79Å; E642-H710 IonicContact OE2-NE2 2.84Å; E642-H710 PolarHBondContact OE2-NE2 3.16Å; Q704-H710 PolarHBondContact NE2-O 3.45Å; H710-R716 PolarHBondContact CD2-NH1 2.7Å
711	S	98.3	Very high	96.7	Very high	2 Å²	2	19 Å²	19	1%	0.014	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-59.8	154.4	165.7	-70.5	0	0	0	0	111.2	Y622 T639 N643 R716	Y622-S711 VanDerWaalsContact CD1-OG 3.25Å; Y622-S711 WeakPolarHBondContact CD1-OG 3.45Å; T639-S711 WeakPolarHBondContact CB-OG 3.31Å; T639-S711 PolarHBondContact OG1-OG 3.09Å; N643-S711 PolarHBondContact ND2-OG 3.03Å; N643-S711 PolarHBondContact OD1-OG 3.46Å; S711-R716 WeakPolarHBondContact O-CD 3.26Å; S711-R716 VanDerWaalsContact O-CG 3.27Å; S711-R716 WeakPolarHBondContact O-CG 3.3Å
712	P	97.9	Very high	96.7	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.013	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-52.2	148.2	170.6	-28.4	36.6	0	0	0	112	W627 V634 V705 Q714 Y715 R716	W627-P712 HydrophobicContact CD2-CB 3.77Å; W627-P712 HydrophobicContact CD2-CG 3.86Å; W627-P712 HydrophobicContact CE3-CB 3.52Å; W627-P712 HydrophobicContact CE3-CG 3.27Å; W627-P712 HydrophobicContact CG-CG 4.49Å; W627-P712 HydrophobicContact CH2-CB 3.85Å; W627-P712 HydrophobicContact CH2-CG 4.36Å; W627-P712 HydrophobicContact CZ2-CB 4.08Å; W627-P712 HydrophobicContact CZ3-CB 3.57Å; W627-P712 HydrophobicContact CZ3-CG 3.57Å; V634-P712 HydrophobicContact CG2-CG 3.8Å; V705-P712 HydrophobicContact CG2-CG 4.35Å; P712-Q714 VanDerWaalsContact C-N 3.3Å; P712-Q714 PolarHBondContact O-N 3.44Å; P712-Q714 VanDerWaalsContact O-N 3.15Å; P712-Y715 HydrophobicContact CB-CD2 3.92Å; P712-Y715 HydrophobicContact CG-CD2 3.98Å; P712-Y715 WeakPolarHBondContact O-CA 3.5Å; P712-Y715 PolarHBondContact O-N 3.11Å; P712-R716 PolarHBondContact O-N 3.11Å
713	P	97.1	Very high	96.8	Very high	10 Å²	10	18.2 Å²	18.2	7%	0.065	10%	0.095	C	C	.	.	H	α-helix	trans	-55.6	-41.5	-169	-18.1	22.5	0	0	0	114.1	F81 R692 N694 Y696 Y715 R716 V717	F81-P713 HydrophobicContact CE2-CB 4.07Å; F81-P713 HydrophobicContact CZ-CB 4.39Å; R692-P713 WeakPolarHBondContact O-CB 3.22Å; N694-P713 HydrophobicContact CB-CB 4.27Å; N694-P713 HydrophobicContact CB-CG 3.77Å; Y696-P713 HydrophobicContact CD2-CG 4.45Å; Y696-P713 HydrophobicContact CE2-CG 3.7Å; P713-Y715 PolarHBondContact O-N 3.24Å; P713-R716 PolarHBondContact O-N 3.25Å; P713-V717 PolarHBondContact O-N 2.85Å
714	Q	97.3	Very high	96.9	Very high	38 Å²	38	16.4 Å²	16.4	18%	0.178	9%	0.087	C	C	.	.	H	α-helix	trans	-58.8	-33.4	175.9	67.1	176.2	5	0	0	113.6	F81 P712 N718	F81-Q714 HydrophobicContact CB-CB 4.18Å; F81-Q714 HydrophobicContact CD1-CB 3.58Å; F81-Q714 HydrophobicContact CD2-CB 4.2Å; F81-Q714 HydrophobicContact CE1-CB 3.94Å; F81-Q714 HydrophobicContact CE2-CB 4.5Å; F81-Q714 HydrophobicContact CG-CB 3.72Å; F81-Q714 HydrophobicContact CZ-CB 4.37Å; P712-Q714 VanDerWaalsContact C-N 3.3Å; P712-Q714 PolarHBondContact O-N 3.44Å; P712-Q714 VanDerWaalsContact O-N 3.15Å; Q714-N718 VanDerWaalsContact O-CB 3.25Å; Q714-N718 WeakPolarHBondContact O-CB 3.43Å; Q714-N718 PolarHBondContact O-N 3.34Å
715	Y	98.3	Very high	97	Very high	30 Å²	30	17.4 Å²	17.4	12%	0.118	9%	0.092	C	C	.	.	H	α-helix	trans	-90.8	-21.5	-178.3	-60.8	-49.6	0	0	0	112.4	Y622 Y625 Y626 W627 V634 P712 P713 G719	Y622-Y715 VanDerWaalsContact CE1-O 3.3Å; Y622-Y715 WeakPolarHBondContact CE1-O 3.46Å; Y625-Y715 AromaticContact CD1-CD1 3.73Å; Y625-Y715 HydrophobicContact CD1-CD1 3.73Å; Y625-Y715 AromaticContact CD1-CE1 3.62Å; Y625-Y715 HydrophobicContact CD1-CE1 3.62Å; Y625-Y715 AromaticContact CD2-CD1 3.63Å; Y625-Y715 HydrophobicContact CD2-CD1 3.63Å; Y625-Y715 HydrophobicContact CD2-CD2 4.5Å; Y625-Y715 HydrophobicContact CD2-CE1 4.27Å; Y625-Y715 AromaticContact CD2-CG 3.78Å; Y625-Y715 HydrophobicContact CD2-CG 3.78Å; Y625-Y715 HydrophobicContact CE1-CD1 4.23Å; Y625-Y715 HydrophobicContact CE1-CE1 4.36Å; Y625-Y715 HydrophobicContact CE2-CD1 4.16Å; Y625-Y715 AromaticContact CG-CD1 3.44Å; Y625-Y715 HydrophobicContact CG-CD1 3.44Å; Y625-Y715 VanDerWaalsContact CG-CD1 3.44Å; Y625-Y715 HydrophobicContact CG-CD2 4.35Å; Y625-Y715 AromaticContact CG-CE1 3.59Å; Y625-Y715 HydrophobicContact CG-CE1 3.59Å; Y625-Y715 HydrophobicContact CG-CE2 4.43Å; Y625-Y715 AromaticContact CG-CG 3.86Å; Y625-Y715 HydrophobicContact CG-CG 3.86Å; Y626-Y715 PolarHBondContact O-OH 2.58Å; W627-Y715 HydrophobicContact CB-CE2 3.97Å; W627-Y715 HydrophobicContact CG-CE2 4.32Å; V634-Y715 HydrophobicContact CG2-CD2 3.55Å; V634-Y715 HydrophobicContact CG2-CE2 3.91Å; V634-Y715 HydrophobicContact CG2-CG 4.47Å; P712-Y715 HydrophobicContact CB-CD2 3.92Å; P712-Y715 HydrophobicContact CG-CD2 3.98Å; P712-Y715 WeakPolarHBondContact O-CA 3.5Å; P712-Y715 PolarHBondContact O-N 3.11Å; P713-Y715 PolarHBondContact O-N 3.24Å; Y715-G719 WeakPolarHBondContact O-CA 3.45Å; Y715-G719 PolarHBondContact O-N 2.89Å
716	R	98.4	Very high	97.1	Very high	30 Å²	30	19.5 Å²	19.5	11%	0.113	10%	0.101	C	C	.	.	H	α-helix	trans	-61.1	-49.7	162.4	-62.9	-173.5	68.8	-176.8	0.7	109.8	D646 Y688 H710 S711 P712 P713 A720	D646-R716 IonicContact OD1-CZ 3.14Å; D646-R716 IonicContact OD1-NE 3.96Å; D646-R716 PolarHBondContact OD1-NE 2.96Å; D646-R716 IonicContact OD1-NH2 3.84Å; D646-R716 PolarHBondContact OD1-NH2 3.14Å; D646-R716 WeakPolarHBondContact OD2-CG 3.36Å; D646-R716 IonicContact OD2-CZ 3.5Å; D646-R716 IonicContact OD2-NE 3.33Å; D646-R716 PolarHBondContact OD2-NE 3.39Å; D646-R716 IonicContact OD2-NH2 2.95Å; D646-R716 PolarHBondContact OD2-NH2 3.34Å; Y688-R716 PolarHBondContact OH-O 3.45Å; Y688-R716 VanDerWaalsContact OH-O 3.05Å; H710-R716 PolarHBondContact CD2-NH1 2.7Å; S711-R716 WeakPolarHBondContact O-CD 3.26Å; S711-R716 VanDerWaalsContact O-CG 3.27Å; S711-R716 WeakPolarHBondContact O-CG 3.3Å; P712-R716 PolarHBondContact O-N 3.11Å; P713-R716 PolarHBondContact O-N 3.25Å; R716-A720 VanDerWaalsContact O-CB 3.29Å; R716-A720 WeakPolarHBondContact O-CB 3.19Å; R716-A720 PolarHBondContact O-N 3.32Å
717	V	98.6	Very high	97.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.5	-64.3	179.3	177.5	0	0	0	0	111.6	F80 F81 Y688 A689 R692 P713 G719 I721	F80-V717 HydrophobicContact CD1-CG1 3.96Å; F81-V717 HydrophobicContact CB-CB 4.22Å; F81-V717 HydrophobicContact CB-CG1 4.17Å; F81-V717 HydrophobicContact CD2-CB 4.1Å; F81-V717 HydrophobicContact CD2-CG2 3.93Å; Y688-V717 HydrophobicContact CE1-CG1 4.48Å; Y688-V717 HydrophobicContact CE1-CG2 4.46Å; A689-V717 HydrophobicContact CB-CG1 3.75Å; A689-V717 HydrophobicContact CB-CG2 4.23Å; R692-V717 HydrophobicContact CB-CG2 3.66Å; R692-V717 HydrophobicContact CG-CG2 4.34Å; P713-V717 PolarHBondContact O-N 2.85Å; V717-G719 PolarHBondContact O-N 3.12Å; V717-I721 HydrophobicContact CG1-CD1 3.78Å; V717-I721 VanDerWaalsContact O-CB 3.29Å; V717-I721 WeakPolarHBondContact O-CB 3.44Å; V717-I721 VanDerWaalsContact O-CG1 3.3Å; V717-I721 WeakPolarHBondContact O-CG1 3.22Å; V717-I721 PolarHBondContact O-N 3.22Å
718	N	98.6	Very high	97.5	Very high	15 Å²	15	18.5 Å²	18.5	8%	0.08	10%	0.095	C	C	.	.	H	α-helix	trans	-68.9	-36.5	-172.3	-67.5	-11.9	0	0	0	112.1	N79 F80 F81 Q714 S722 M739	N79-N718 PolarHBondContact OD1-ND2 3.32Å; F80-N718 PolarHBondContact N-OD1 2.84Å; F81-N718 WeakPolarHBondContact CB-OD1 3.5Å; F81-N718 PolarHBondContact N-OD1 3.14Å; Q714-N718 VanDerWaalsContact O-CB 3.25Å; Q714-N718 WeakPolarHBondContact O-CB 3.43Å; Q714-N718 PolarHBondContact O-N 3.34Å; N718-S722 WeakPolarHBondContact O-CB 3.32Å; N718-S722 PolarHBondContact O-N 3.14Å; N718-S722 PolarHBondContact O-OG 2.89Å; N718-M739 HydrophobicContact CB-CE 4.07Å; N718-M739 HydrophobicContact CB-SD 3.85Å
719	G	98.1	Very high	97.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.3	-45.3	-179.3	0	0	0	0	0	112.5	Q621 Y715 V717 S722 N723	Q621-G719 PolarHBondContact NE2-O 3.02Å; Y715-G719 WeakPolarHBondContact O-CA 3.45Å; Y715-G719 PolarHBondContact O-N 2.89Å; V717-G719 PolarHBondContact O-N 3.12Å; G719-S722 PolarHBondContact O-OG 3.15Å; G719-N723 PolarHBondContact O-ND2 3.42Å; G719-N723 VanDerWaalsContact O-ND2 3.11Å
720	A	98.1	Very high	97.9	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-73.6	-45.8	179	0	0	0	0	0	112.3	Y622 D646 L650 Y688 R716 S722 N723	Y622-A720 PolarHBondContact OH-N 3.15Å; D646-A720 HydrophobicContact CB-CB 4.35Å; L650-A720 HydrophobicContact CD2-CB 4.23Å; Y688-A720 WeakPolarHBondContact OH-CB 3.3Å; R716-A720 VanDerWaalsContact O-CB 3.29Å; R716-A720 WeakPolarHBondContact O-CB 3.19Å; R716-A720 PolarHBondContact O-N 3.32Å; A720-S722 PolarHBondContact O-N 3.46Å; A720-N723 PolarHBondContact O-N 3.26Å
721	I	97.6	Very high	97.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64.3	-40.2	-177.7	-72.6	179.5	0	0	0	111.9	F80 L650 Y688 V717 N723 F724 F727 M739	F80-I721 HydrophobicContact CD1-CD1 3.29Å; F80-I721 HydrophobicContact CE1-CD1 3.67Å; F80-I721 HydrophobicContact CG-CD1 4.15Å; L650-I721 HydrophobicContact CD2-CG1 3.97Å; Y688-I721 HydrophobicContact CD1-CD1 3.77Å; Y688-I721 HydrophobicContact CD1-CG1 4Å; Y688-I721 HydrophobicContact CE1-CD1 3.88Å; Y688-I721 HydrophobicContact CE1-CG1 3.75Å; V717-I721 HydrophobicContact CG1-CD1 3.78Å; V717-I721 VanDerWaalsContact O-CB 3.29Å; V717-I721 WeakPolarHBondContact O-CB 3.44Å; V717-I721 VanDerWaalsContact O-CG1 3.3Å; V717-I721 WeakPolarHBondContact O-CG1 3.22Å; V717-I721 PolarHBondContact O-N 3.22Å; I721-N723 PolarHBondContact O-N 2.9Å; I721-N723 VanDerWaalsContact O-N 3.13Å; I721-F724 PolarHBondContact O-N 3.05Å; I721-F727 HydrophobicContact CG2-CB 3.74Å; I721-F727 HydrophobicContact CG2-CD1 3.22Å; I721-F727 HydrophobicContact CG2-CD2 3.29Å; I721-F727 HydrophobicContact CG2-CE1 3.52Å; I721-F727 HydrophobicContact CG2-CE2 3.57Å; I721-F727 HydrophobicContact CG2-CG 3.1Å; I721-F727 HydrophobicContact CG2-CZ 3.69Å; I721-M739 HydrophobicContact CB-CE 3.89Å; I721-M739 HydrophobicContact CG2-CE 3.63Å
722	S	97.9	Very high	97.8	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.021	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.2	-178.4	62	0	0	0	0	113.9	N718 G719 A720 M739 R741	N718-S722 WeakPolarHBondContact O-CB 3.32Å; N718-S722 PolarHBondContact O-N 3.14Å; N718-S722 PolarHBondContact O-OG 2.89Å; G719-S722 PolarHBondContact O-OG 3.15Å; A720-S722 PolarHBondContact O-N 3.46Å; S722-M739 WeakPolarHBondContact CA-O 3.28Å; S722-R741 PolarHBondContact O-N 3.45Å; S722-R741 VanDerWaalsContact OG-CD 3.27Å; S722-R741 WeakPolarHBondContact OG-CD 3.29Å
723	N	97.9	Very high	97.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1.1	173.2	-69.1	-34.1	0	0	0	113.6	Q621 N647 R651 G719 A720 I721 R741 S745 C746	Q621-N723 PolarHBondContact NE2-ND2 3.18Å; Q621-N723 PolarHBondContact OE1-ND2 3.44Å; Q621-N723 PolarHBondContact OE1-OD1 3.38Å; N647-N723 PolarHBondContact OD1-ND2 3.38Å; R651-N723 PolarHBondContact NH2-O 2.88Å; G719-N723 PolarHBondContact O-ND2 3.42Å; G719-N723 VanDerWaalsContact O-ND2 3.11Å; A720-N723 PolarHBondContact O-N 3.26Å; I721-N723 PolarHBondContact O-N 2.9Å; I721-N723 VanDerWaalsContact O-N 3.13Å; N723-R741 VanDerWaalsContact OD1-CD 3.27Å; N723-R741 WeakPolarHBondContact OD1-CD 3.3Å; N723-R741 PolarHBondContact OD1-NE 2.97Å; N723-S745 WeakPolarHBondContact OD1-CA 3.34Å; N723-C746 PolarHBondContact OD1-N 3.49Å
724	F	97.7	Very high	97.8	Very high	7 Å²	7	30.5 Å²	30.5	3%	0.031	15%	0.152	C	C	.	.			trans	-116.6	112	-170	-166.1	-165.9	0	0	0	112.9	L650 R651 F654 F685 I721 E726 F727 Q728	L650-F724 HydrophobicContact CD2-CD1 3.86Å; L650-F724 HydrophobicContact CG-CD1 3.85Å; L650-F724 HydrophobicContact CG-CE1 4.13Å; R651-F724 HydrophobicContact CG-CD2 4.02Å; R651-F724 HydrophobicContact CG-CE1 4.44Å; R651-F724 HydrophobicContact CG-CE2 3.92Å; R651-F724 HydrophobicContact CG-CG 4.34Å; R651-F724 HydrophobicContact CG-CZ 4.14Å; F654-F724 HydrophobicContact CB-CE1 3.76Å; F654-F724 HydrophobicContact CB-CZ 3.78Å; F654-F724 HydrophobicContact CD1-CE1 4.3Å; F654-F724 AromaticContact CD1-CZ 3.77Å; F654-F724 HydrophobicContact CD1-CZ 3.77Å; F654-F724 AromaticContact CG-CE1 3.98Å; F654-F724 HydrophobicContact CG-CE1 3.98Å; F654-F724 AromaticContact CG-CZ 3.89Å; F654-F724 HydrophobicContact CG-CZ 3.89Å; F685-F724 AromaticContact CE1-CD1 3.69Å; F685-F724 HydrophobicContact CE1-CD1 3.69Å; F685-F724 AromaticContact CE1-CE1 3.88Å; F685-F724 HydrophobicContact CE1-CE1 3.88Å; F685-F724 HydrophobicContact CZ-CD1 4.02Å; F685-F724 AromaticContact CZ-CE1 3.97Å; F685-F724 HydrophobicContact CZ-CE1 3.97Å; I721-F724 PolarHBondContact O-N 3.05Å; F724-E726 VanDerWaalsContact C-N 3.27Å; F724-E726 HydrophobicContact CD2-CB 4.13Å; F724-E726 HydrophobicContact CD2-CG 4.32Å; F724-E726 HydrophobicContact CE1-CB 4.15Å; F724-E726 HydrophobicContact CE2-CB 3.66Å; F724-E726 HydrophobicContact CE2-CG 3.54Å; F724-E726 HydrophobicContact CZ-CB 3.66Å; F724-E726 HydrophobicContact CZ-CG 3.79Å; F724-E726 PolarHBondContact O-N 2.89Å; F724-F727 WeakPolarHBondContact O-CB 3.19Å; F724-F727 PolarHBondContact O-N 3.09Å; F724-F727 VanDerWaalsContact O-N 3.12Å; F724-Q728 PolarHBondContact O-N 3.49Å
725	E	96.6	Very high	97.6	Very high	60 Å²	60	34.3 Å²	34.3	28%	0.28	18%	0.18	S	C	.	.	H	α-helix	trans	-58.4	-33.2	-178.9	62.2	-78.5	-177.2	0	0	113.9	R651 F727 Q728 K729	R651-E725 IonicContact CZ-OE1 3.01Å; R651-E725 IonicContact CZ-OE2 2.76Å; R651-E725 IonicContact NH1-OE1 2.69Å; R651-E725 PolarHBondContact NH1-OE1 2.94Å; R651-E725 IonicContact NH1-OE2 2.6Å; R651-E725 PolarHBondContact NH1-OE2 3.48Å; R651-E725 IonicContact NH2-OE1 3.97Å; R651-E725 IonicContact NH2-OE2 3.66Å; R651-E725 PolarHBondContact NH2-OE2 2.83Å; E725-F727 VanDerWaalsContact C-N 3.28Å; E725-F727 PolarHBondContact O-N 2.89Å; E725-Q728 WeakPolarHBondContact O-CB 3.41Å; E725-Q728 PolarHBondContact O-N 3.28Å; E725-K729 WeakPolarHBondContact O-CG 3.25Å; E725-K729 PolarHBondContact O-N 3.43Å
726	E	97.8	Very high	97.1	Very high	52 Å²	52	39.8 Å²	39.8	24%	0.243	21%	0.212	C	C	.	.	H	α-helix	trans	-69.8	-28.3	179.7	-64.9	-58.5	133.3	0	0	112.3	F654 F685 F724 K729 A730	F654-E726 HydrophobicContact CD1-CB 3.97Å; F654-E726 HydrophobicContact CD1-CG 3.91Å; F654-E726 HydrophobicContact CE1-CB 3.54Å; F654-E726 HydrophobicContact CE1-CG 3.55Å; F654-E726 HydrophobicContact CZ-CB 3.93Å; F654-E726 HydrophobicContact CZ-CG 4.38Å; F685-E726 HydrophobicContact CZ-CB 4.3Å; F724-E726 VanDerWaalsContact C-N 3.27Å; F724-E726 HydrophobicContact CD2-CB 4.13Å; F724-E726 HydrophobicContact CD2-CG 4.32Å; F724-E726 HydrophobicContact CE1-CB 4.15Å; F724-E726 HydrophobicContact CE2-CB 3.66Å; F724-E726 HydrophobicContact CE2-CG 3.54Å; F724-E726 HydrophobicContact CZ-CB 3.66Å; F724-E726 HydrophobicContact CZ-CG 3.79Å; F724-E726 PolarHBondContact O-N 2.89Å; E726-K729 IonicContact OE1-NZ 3.49Å; E726-K729 PolarHBondContact OE1-NZ 3.35Å; E726-A730 VanDerWaalsContact O-CB 3.28Å; E726-A730 WeakPolarHBondContact O-CB 3.33Å; E726-A730 PolarHBondContact O-N 2.93Å
727	F	98.4	Very high	97	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67	-46.1	170	170.4	-98.5	0	0	0	111.4	F80 F685 I721 F724 E725 K729 A730 F731 M739	F80-F727 HydrophobicContact CB-CZ 4.12Å; F80-F727 HydrophobicContact CD1-CE2 4.23Å; F80-F727 AromaticContact CD2-CE2 3.42Å; F80-F727 HydrophobicContact CD2-CE2 3.42Å; F80-F727 VanDerWaalsContact CD2-CE2 3.42Å; F80-F727 AromaticContact CD2-CZ 3.49Å; F80-F727 HydrophobicContact CD2-CZ 3.49Å; F80-F727 VanDerWaalsContact CD2-CZ 3.49Å; F80-F727 HydrophobicContact CE1-CE2 4.29Å; F80-F727 AromaticContact CE2-CE2 3.53Å; F80-F727 HydrophobicContact CE2-CE2 3.53Å; F80-F727 HydrophobicContact CE2-CZ 4.05Å; F80-F727 AromaticContact CG-CE2 3.79Å; F80-F727 HydrophobicContact CG-CE2 3.79Å; F80-F727 AromaticContact CG-CZ 3.84Å; F80-F727 HydrophobicContact CG-CZ 3.84Å; F80-F727 AromaticContact CZ-CE2 3.96Å; F80-F727 HydrophobicContact CZ-CE2 3.96Å; F685-F727 HydrophobicContact CB-CD2 4.13Å; F685-F727 HydrophobicContact CD1-CB 4.23Å; F685-F727 HydrophobicContact CD1-CD2 4.02Å; F685-F727 HydrophobicContact CD2-CB 4.46Å; F685-F727 AromaticContact CD2-CD2 3.95Å; F685-F727 HydrophobicContact CD2-CD2 3.95Å; F685-F727 HydrophobicContact CE1-CB 3.84Å; F685-F727 HydrophobicContact CE1-CD2 4.46Å; F685-F727 HydrophobicContact CE2-CB 4.09Å; F685-F727 HydrophobicContact CE2-CD2 4.41Å; F685-F727 AromaticContact CG-CD2 3.76Å; F685-F727 HydrophobicContact CG-CD2 3.76Å; F685-F727 HydrophobicContact CZ-CB 3.78Å; I721-F727 HydrophobicContact CG2-CB 3.74Å; I721-F727 HydrophobicContact CG2-CD1 3.22Å; I721-F727 HydrophobicContact CG2-CD2 3.29Å; I721-F727 HydrophobicContact CG2-CE1 3.52Å; I721-F727 HydrophobicContact CG2-CE2 3.57Å; I721-F727 HydrophobicContact CG2-CG 3.1Å; I721-F727 HydrophobicContact CG2-CZ 3.69Å; F724-F727 WeakPolarHBondContact O-CB 3.19Å; F724-F727 PolarHBondContact O-N 3.09Å; F724-F727 VanDerWaalsContact O-N 3.12Å; E725-F727 VanDerWaalsContact C-N 3.28Å; E725-F727 PolarHBondContact O-N 2.89Å; F727-K729 PolarHBondContact O-N 3.48Å; F727-A730 PolarHBondContact O-N 3.27Å; F727-F731 AromaticContact CD2-CD2 3.53Å; F727-F731 HydrophobicContact CD2-CD2 3.53Å; F727-F731 AromaticContact CD2-CE2 3.86Å; F727-F731 HydrophobicContact CD2-CE2 3.86Å; F727-F731 HydrophobicContact CE2-CB 4.49Å; F727-F731 AromaticContact CE2-CD2 3.24Å; F727-F731 HydrophobicContact CE2-CD2 3.24Å; F727-F731 AromaticContact CE2-CE2 3.55Å; F727-F731 HydrophobicContact CE2-CE2 3.55Å; F727-F731 AromaticContact CE2-CG 3.97Å; F727-F731 HydrophobicContact CE2-CG 3.97Å; F727-F731 HydrophobicContact CE2-CZ 4.47Å; F727-F731 HydrophobicContact CG-CD2 4.42Å; F727-F731 HydrophobicContact CZ-CB 4.38Å; F727-F731 AromaticContact CZ-CD2 3.94Å; F727-F731 HydrophobicContact CZ-CD2 3.94Å; F727-F731 HydrophobicContact CZ-CG 4.23Å; F727-F731 PolarHBondContact O-N 2.87Å; F727-M739 HydrophobicContact CE1-CB 3.85Å; F727-M739 HydrophobicContact CE1-CE 4.36Å
728	Q	97.3	Very high	96.8	Very high	30 Å²	30	44 Å²	44	14%	0.14	24%	0.241	C	C	.	.	H	α-helix	trans	-58	-40.8	179.8	-59	163.4	8.8	0	0	110.5	F724 E725 N732 C733 N740	F724-Q728 PolarHBondContact O-N 3.49Å; E725-Q728 WeakPolarHBondContact O-CB 3.41Å; E725-Q728 PolarHBondContact O-N 3.28Å; Q728-N732 CarbonylContact O-C 3.57Å; Q728-N732 VanDerWaalsContact O-CA 3.27Å; Q728-N732 WeakPolarHBondContact O-CA 3.31Å; Q728-N732 PolarHBondContact O-N 3.44Å; Q728-C733 HydrophobicContact CB-CB 4.46Å; Q728-C733 PolarHBondContact O-N 3.48Å; Q728-N740 VanDerWaalsContact CD-CG 3.47Å; Q728-N740 HydrophobicContact CG-CB 4.18Å; Q728-N740 PolarHBondContact NE2-OD1 2.92Å; Q728-N740 VanDerWaalsContact NE2-OD1 3.15Å; Q728-N740 PolarHBondContact OE1-OD1 2.88Å
729	K	97.8	Very high	96.8	Very high	129 Å²	129	43.4 Å²	43.4	56%	0.561	24%	0.238	S	C	*	.	H	α-helix	trans	-66.5	-46	172.9	-66.1	172.5	-169.7	169.4	0	112.4	E725 E726 F727 F731 N732	E725-K729 WeakPolarHBondContact O-CG 3.25Å; E725-K729 PolarHBondContact O-N 3.43Å; E726-K729 IonicContact OE1-NZ 3.49Å; E726-K729 PolarHBondContact OE1-NZ 3.35Å; F727-K729 PolarHBondContact O-N 3.48Å; K729-F731 VanDerWaalsContact C-N 3.28Å; K729-F731 PolarHBondContact O-N 2.91Å; K729-N732 PolarHBondContact O-N 3.04Å; K729-N732 PolarHBondContact O-OD1 2.9Å
730	A	98.1	Very high	96.7	Very high	15 Å²	15	44.4 Å²	44.4	12%	0.124	24%	0.243	C	C	.	.	H	α-helix	trans	-64	-31.3	-176.5	0	0	0	0	0	113.4	N681 Q682 F685 E726 F727	N681-A730 HydrophobicContact CB-CB 4.15Å; Q682-A730 HydrophobicContact CG-CB 4.28Å; Q682-A730 VanDerWaalsContact CG-O 3.29Å; Q682-A730 WeakPolarHBondContact CG-O 3.41Å; Q682-A730 PolarHBondContact NE2-O 3.44Å; F685-A730 HydrophobicContact CD2-CB 4.08Å; F685-A730 HydrophobicContact CE2-CB 3.81Å; E726-A730 VanDerWaalsContact O-CB 3.28Å; E726-A730 WeakPolarHBondContact O-CB 3.33Å; E726-A730 PolarHBondContact O-N 2.93Å; F727-A730 PolarHBondContact O-N 3.27Å
731	F	98	Very high	96.6	Very high	19 Å²	19	47.6 Å²	47.6	8%	0.083	26%	0.255	C	S	.	.	H	α-helix	trans	-109.5	4.8	179.6	-74	-89.5	0	0	0	114.1	P76 F80 F83 Q682 F685 F727 K729 C733	P76-F731 HydrophobicContact CB-CD1 3.67Å; P76-F731 HydrophobicContact CB-CE1 4.05Å; P76-F731 HydrophobicContact CB-CG 4.29Å; P76-F731 HydrophobicContact CG-CD1 3.64Å; P76-F731 HydrophobicContact CG-CE1 4.27Å; P76-F731 HydrophobicContact CG-CG 4.43Å; F80-F731 HydrophobicContact CE2-CD1 4.45Å; F80-F731 HydrophobicContact CE2-CD2 4.36Å; F80-F731 AromaticContact CE2-CE1 3.85Å; F80-F731 HydrophobicContact CE2-CE1 3.85Å; F80-F731 AromaticContact CE2-CE2 3.74Å; F80-F731 HydrophobicContact CE2-CE2 3.74Å; F80-F731 AromaticContact CE2-CZ 3.45Å; F80-F731 HydrophobicContact CE2-CZ 3.45Å; F80-F731 VanDerWaalsContact CE2-CZ 3.45Å; F80-F731 AromaticContact CZ-CE2 4Å; F80-F731 HydrophobicContact CZ-CE2 4Å; F80-F731 AromaticContact CZ-CZ 3.8Å; F80-F731 HydrophobicContact CZ-CZ 3.8Å; F83-F731 HydrophobicContact CE1-CE1 4.05Å; F83-F731 HydrophobicContact CZ-CE1 4.5Å; Q682-F731 HydrophobicContact CB-CE1 4.15Å; Q682-F731 HydrophobicContact CB-CE2 3.94Å; Q682-F731 HydrophobicContact CB-CZ 3.57Å; Q682-F731 HydrophobicContact CG-CD1 4.28Å; Q682-F731 HydrophobicContact CG-CD2 4.14Å; Q682-F731 HydrophobicContact CG-CE1 3.9Å; Q682-F731 HydrophobicContact CG-CE2 3.75Å; Q682-F731 HydrophobicContact CG-CG 4.4Å; Q682-F731 HydrophobicContact CG-CZ 3.62Å; F685-F731 HydrophobicContact CB-CE2 4.05Å; F685-F731 HydrophobicContact CD2-CE2 4.09Å; F685-F731 HydrophobicContact CG-CE2 4.43Å; F727-F731 AromaticContact CD2-CD2 3.53Å; F727-F731 HydrophobicContact CD2-CD2 3.53Å; F727-F731 AromaticContact CD2-CE2 3.86Å; F727-F731 HydrophobicContact CD2-CE2 3.86Å; F727-F731 HydrophobicContact CE2-CB 4.49Å; F727-F731 AromaticContact CE2-CD2 3.24Å; F727-F731 HydrophobicContact CE2-CD2 3.24Å; F727-F731 AromaticContact CE2-CE2 3.55Å; F727-F731 HydrophobicContact CE2-CE2 3.55Å; F727-F731 AromaticContact CE2-CG 3.97Å; F727-F731 HydrophobicContact CE2-CG 3.97Å; F727-F731 HydrophobicContact CE2-CZ 4.47Å; F727-F731 HydrophobicContact CG-CD2 4.42Å; F727-F731 HydrophobicContact CZ-CB 4.38Å; F727-F731 AromaticContact CZ-CD2 3.94Å; F727-F731 HydrophobicContact CZ-CD2 3.94Å; F727-F731 HydrophobicContact CZ-CG 4.23Å; F727-F731 PolarHBondContact O-N 2.87Å; K729-F731 VanDerWaalsContact C-N 3.28Å; K729-F731 PolarHBondContact O-N 2.91Å; F731-C733 VanDerWaalsContact C-N 3.31Å; F731-C733 PolarHBondContact O-N 2.72Å
732	N	97.4	Very high	96.4	Very high	141 Å²	141	49.5 Å²	49.5	75%	0.754	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	44.4	-177.4	-60.6	-50	0	0	0	113.3	Q728 K729 P734	Q728-N732 CarbonylContact O-C 3.57Å; Q728-N732 VanDerWaalsContact O-CA 3.27Å; Q728-N732 WeakPolarHBondContact O-CA 3.31Å; Q728-N732 PolarHBondContact O-N 3.44Å; K729-N732 PolarHBondContact O-N 3.04Å; K729-N732 PolarHBondContact O-OD1 2.9Å; N732-P734 WeakPolarHBondContact O-CD 3.42Å
733	C	97.8	Very high	96.1	Very high	11 Å²	11	58.6 Å²	58.6	7%	0.074	32%	0.319	C	S	.	.			trans	-71.1	124.8	-175.9	-64.7	0	0	0	0	112.6	C77 Q728 F731 N740	C77-C733 VanDerWaalsContact CA-SG 3.53Å; C77-C733 HydrophobicContact CB-CB 3.68Å; C77-C733 WeakPolarHBondContact CB-SG 3.41Å; C77-C733 WeakPolarHBondContact SG-CA 3.4Å; C77-C733 WeakPolarHBondContact SG-CB 3.33Å; C77-C733 CovalentContact SG-SG 2.05Å; C77-C733 PolarHBondContact SG-SG 2.9Å; Q728-C733 HydrophobicContact CB-CB 4.46Å; Q728-C733 PolarHBondContact O-N 3.48Å; F731-C733 VanDerWaalsContact C-N 3.31Å; F731-C733 PolarHBondContact O-N 2.72Å; C733-N740 HydrophobicContact CB-CB 4.36Å; C733-N740 PolarHBondContact O-ND2 2.93Å
734	P	96.5	Very high	95.9	Very high	60 Å²	60	64.1 Å²	64.1	39%	0.39	35%	0.349	S	S	.	.			trans	-57.4	152.1	177.6	-26.3	34.9	0	0	0	113.1	N732 N736 S737 N740	N732-P734 WeakPolarHBondContact O-CD 3.42Å; P734-N736 WeakPolarHBondContact CB-OD1 3.41Å; P734-N736 PolarHBondContact O-N 2.62Å; P734-S737 PolarHBondContact O-N 3Å; P734-S737 VanDerWaalsContact O-N 3.08Å; P734-S737 PolarHBondContact O-OG 2.84Å; P734-N740 VanDerWaalsContact O-CB 3.29Å; P734-N740 WeakPolarHBondContact O-CB 3.35Å; P734-N740 PolarHBondContact O-ND2 3.45Å
735	P	92.8	Very high	95.8	Very high	117 Å²	117	65.3 Å²	65.3	76%	0.76	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.5	179.7	-27	35.5	0	0	0	115.8
736	N	87.6	Confident	95.8	Very high	146 Å²	146	62.5 Å²	62.5	78%	0.781	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	5.6	-178.9	64.8	-20.6	0	0	0	113.5	P734	P734-N736 WeakPolarHBondContact CB-OD1 3.41Å; P734-N736 PolarHBondContact O-N 2.62Å
737	S	95.9	Very high	95.6	Very high	14 Å²	14	64 Å²	64	10%	0.098	35%	0.348	C	S	.	.	S	Bend	trans	-76.4	154.5	179.9	90.3	0	0	0	0	111.3	C77 P734 M739 N740	C77-S737 WeakPolarHBondContact O-CB 3.29Å; C77-S737 PolarHBondContact O-OG 2.94Å; P734-S737 PolarHBondContact O-N 3Å; P734-S737 VanDerWaalsContact O-N 3.08Å; P734-S737 PolarHBondContact O-OG 2.84Å; S737-M739 PolarHBondContact O-N 3.41Å; S737-N740 PolarHBondContact O-N 2.83Å; S737-N740 PolarHBondContact OG-N 3.37Å
738	T	95.5	Very high	95.5	Very high	104 Å²	104	64.2 Å²	64.2	64%	0.638	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-34.4	-177.8	-57.2	0	0	0	0	112.4	C77 D78 N740	C77-T738 PolarHBondContact O-N 2.92Å; D78-T738 WeakPolarHBondContact O-CB 3.35Å; T738-N740 VanDerWaalsContact C-N 3.31Å
739	M	97.6	Very high	95.3	Very high	3 Å²	3	63.2 Å²	63.2	2%	0.015	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	4.4	179.1	-63.2	-57.8	-55	0	0	114.2	P76 C77 F80 N718 I721 S722 F727 S737	P76-M739 WeakPolarHBondContact O-CG 3.49Å; C77-M739 VanDerWaalsContact O-CB 3.23Å; C77-M739 WeakPolarHBondContact O-CB 3.4Å; C77-M739 WeakPolarHBondContact O-CG 3.15Å; C77-M739 PolarHBondContact O-N 3.2Å; F80-M739 HydrophobicContact CB-CE 3.98Å; F80-M739 HydrophobicContact CB-SD 4.44Å; N718-M739 HydrophobicContact CB-CE 4.07Å; N718-M739 HydrophobicContact CB-SD 3.85Å; I721-M739 HydrophobicContact CB-CE 3.89Å; I721-M739 HydrophobicContact CG2-CE 3.63Å; S722-M739 WeakPolarHBondContact CA-O 3.28Å; F727-M739 HydrophobicContact CE1-CB 3.85Å; F727-M739 HydrophobicContact CE1-CE 4.36Å; S737-M739 PolarHBondContact O-N 3.41Å
740	N	97.2	Very high	95.2	Very high	21 Å²	21	60 Å²	60	11%	0.112	33%	0.334	C	S	.	.			trans	-118.6	98.2	173	-171.7	-15.5	0	0	0	110.1	Q728 C733 P734 S737 T738 G742	Q728-N740 VanDerWaalsContact CD-CG 3.47Å; Q728-N740 HydrophobicContact CG-CB 4.18Å; Q728-N740 PolarHBondContact NE2-OD1 2.92Å; Q728-N740 VanDerWaalsContact NE2-OD1 3.15Å; Q728-N740 PolarHBondContact OE1-OD1 2.88Å; C733-N740 HydrophobicContact CB-CB 4.36Å; C733-N740 PolarHBondContact O-ND2 2.93Å; P734-N740 VanDerWaalsContact O-CB 3.29Å; P734-N740 WeakPolarHBondContact O-CB 3.35Å; P734-N740 PolarHBondContact O-ND2 3.45Å; S737-N740 PolarHBondContact O-N 2.83Å; S737-N740 PolarHBondContact OG-N 3.37Å; T738-N740 VanDerWaalsContact C-N 3.31Å; N740-G742 VanDerWaalsContact C-N 3.29Å; N740-G742 PolarHBondContact O-N 2.82Å; N740-G742 PolarHBondContact OD1-N 3.43Å
741	R	94.9	Very high	95.1	Very high	68 Å²	68	62.3 Å²	62.3	26%	0.257	35%	0.345	S	S	.	.			trans	-81.2	-5.7	179.3	-66.9	175	60.8	76.9	8.9	113.6	S722 N723 M743 D744	S722-R741 PolarHBondContact O-N 3.45Å; S722-R741 VanDerWaalsContact OG-CD 3.27Å; S722-R741 WeakPolarHBondContact OG-CD 3.29Å; N723-R741 VanDerWaalsContact OD1-CD 3.27Å; N723-R741 WeakPolarHBondContact OD1-CD 3.3Å; N723-R741 PolarHBondContact OD1-NE 2.97Å; R741-M743 PolarHBondContact O-N 2.93Å; R741-D744 HydrophobicContact CB-CB 4.44Å; R741-D744 PolarHBondContact NE-O 3.41Å; R741-D744 PolarHBondContact NH2-O 3.04Å; R741-D744 WeakPolarHBondContact O-CA 3.35Å; R741-D744 WeakPolarHBondContact O-CB 3.22Å; R741-D744 PolarHBondContact O-N 3.25Å
742	G	93.9	Very high	94.9	Very high	39 Å²	39	64.7 Å²	64.7	40%	0.402	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	47.9	-122.9	-179.3	0	0	0	0	0	112.6	N740 D744 S745	N740-G742 VanDerWaalsContact C-N 3.29Å; N740-G742 PolarHBondContact O-N 2.82Å; N740-G742 PolarHBondContact OD1-N 3.43Å; G742-D744 VanDerWaalsContact C-N 3.26Å; G742-D744 PolarHBondContact O-N 2.84Å; G742-S745 VanDerWaalsContact O-CB 3.26Å; G742-S745 WeakPolarHBondContact O-CB 3.26Å; G742-S745 PolarHBondContact O-N 2.99Å; G742-S745 PolarHBondContact O-OG 3.4Å
743	M	91.6	Very high	94.7	Very high	194 Å²	194	60.2 Å²	60.2	96%	0.956	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-68.2	-19.7	178.8	-68	-178	61.6	0	0	114.4	R741 S745	R741-M743 PolarHBondContact O-N 2.93Å; M743-S745 PolarHBondContact O-N 3.1Å
744	D	94.2	Very high	94.6	Very high	117 Å²	117	63.3 Å²	63.3	63%	0.626	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-83.5	5.1	176.2	-63.4	-36.1	0	0	0	112.7	R741 G742 C746	R741-D744 HydrophobicContact CB-CB 4.44Å; R741-D744 PolarHBondContact NE-O 3.41Å; R741-D744 PolarHBondContact NH2-O 3.04Å; R741-D744 WeakPolarHBondContact O-CA 3.35Å; R741-D744 WeakPolarHBondContact O-CB 3.22Å; R741-D744 PolarHBondContact O-N 3.25Å; G742-D744 VanDerWaalsContact C-N 3.26Å; G742-D744 PolarHBondContact O-N 2.84Å; D744-C746 PolarHBondContact O-N 3.21Å
745	S	95.6	Very high	94.4	Very high	31 Å²	31	63.5 Å²	63.5	22%	0.217	35%	0.35	C	S	.	.			trans	-63.9	124.6	176.1	-60.9	0	0	0	0	110.5	N723 G742 M743 R747	N723-S745 WeakPolarHBondContact OD1-CA 3.34Å; G742-S745 VanDerWaalsContact O-CB 3.26Å; G742-S745 WeakPolarHBondContact O-CB 3.26Å; G742-S745 PolarHBondContact O-N 2.99Å; G742-S745 PolarHBondContact O-OG 3.4Å; M743-S745 PolarHBondContact O-N 3.1Å; S745-R747 PolarHBondContact O-N 3.29Å
746	C	96.3	Very high	94.5	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.007	32%	0.32	C	S	.	.			trans	-80.4	123.4	177.4	-59.3	0	0	0	0	110.7	C617 M618 Q621 N723 D744	C617-C746 HydrophobicContact CB-CB 3.8Å; C617-C746 WeakPolarHBondContact CB-SG 3.49Å; C617-C746 PolarHBondContact O-SG 2.89Å; C617-C746 VanDerWaalsContact O-SG 3.34Å; C617-C746 WeakPolarHBondContact SG-CA 3.43Å; C617-C746 WeakPolarHBondContact SG-CB 3.24Å; C617-C746 CovalentContact SG-SG 2.05Å; C617-C746 PolarHBondContact SG-SG 3.4Å; M618-C746 HydrophobicContact CE-CB 4.33Å; M618-C746 HydrophobicContact CG-CB 3.66Å; Q621-C746 PolarHBondContact OE1-SG 3.08Å; Q621-C746 VanDerWaalsContact OE1-SG 3.37Å; N723-C746 PolarHBondContact OD1-N 3.49Å; D744-C746 PolarHBondContact O-N 3.21Å
747	R	93.8	Very high	95.1	Very high	83 Å²	83	53.1 Å²	53.1	31%	0.313	29%	0.285	S	S	.	.			trans	-133.9	124.1	179	-171.2	175.5	176.9	178.9	-1.1	112.3	E453 S745	E453-R747 IonicContact OE2-CZ 3.77Å; E453-R747 IonicContact OE2-NH1 2.76Å; E453-R747 IonicContact OE2-NH2 2.98Å; E453-R747 PolarHBondContact OE2-NH2 3.31Å; S745-R747 PolarHBondContact O-N 3.29Å
748	L	95.5	Very high	95	Very high	6 Å²	6	56.3 Å²	56.3	3%	0.031	30%	0.301	C	S	.	.			trans	-115.3	-65.1	176.8	-178.9	67.7	0	0	0	111.3	W456 F611 K614 T615 M618 I644	W456-L748 HydrophobicContact CH2-CD1 4.2Å; W456-L748 HydrophobicContact CZ2-CD1 3.72Å; W456-L748 HydrophobicContact CZ2-CG 4.34Å; W456-L748 PolarHBondContact NE1-O 3.26Å; F611-L748 HydrophobicContact CD2-CD1 3.84Å; F611-L748 HydrophobicContact CD2-CD2 4.28Å; F611-L748 HydrophobicContact CE2-CD1 4.09Å; F611-L748 HydrophobicContact CE2-CD2 3.65Å; F611-L748 HydrophobicContact CE2-CG 4.36Å; F611-L748 HydrophobicContact CZ-CD2 4.11Å; K614-L748 HydrophobicContact CB-CD1 3.95Å; K614-L748 HydrophobicContact CD-CD1 4.45Å; T615-L748 HydrophobicContact CG2-CD1 4.29Å; T615-L748 HydrophobicContact CG2-CD2 3.94Å; M618-L748 HydrophobicContact CE-CB 4.33Å; I644-L748 HydrophobicContact CB-CD2 4.4Å; I644-L748 HydrophobicContact CD1-CD2 3.97Å; I644-L748 HydrophobicContact CG1-CD2 3.88Å; I644-L748 HydrophobicContact CG2-CD2 3.66Å
749	W	94.1	Very high	95	Very high	9 Å²	9	52 Å²	52	3%	0.034	27%	0.27	C	S	.	.			trans	-89.5	0	177.6	-61.5	119.1	0	0	0	111.8	F446 M449 L450 W456 M457 T583 F586 W603 F611	F446-W749 AromaticContact CE2-CD2 3.92Å; F446-W749 HydrophobicContact CE2-CD2 3.92Å; F446-W749 AromaticContact CE2-CE3 3.82Å; F446-W749 HydrophobicContact CE2-CE3 3.82Å; F446-W749 HydrophobicContact CE2-CG 4.27Å; F446-W749 HydrophobicContact CE2-CZ3 4.36Å; F446-W749 HydrophobicContact CZ-CD2 4.48Å; F446-W749 HydrophobicContact CZ-CE3 4.05Å; F446-W749 HydrophobicContact CZ-CZ3 4.13Å; M449-W749 HydrophobicContact CE-CB 4.23Å; M449-W749 WeakPolarHBondContact CE-OXT 3.14Å; L450-W749 HydrophobicContact CD1-CZ3 4.28Å; W456-W749 AromaticContact CH2-CH2 3.89Å; W456-W749 HydrophobicContact CH2-CH2 3.89Å; W456-W749 HydrophobicContact CH2-CZ2 4.45Å; W456-W749 HydrophobicContact CH2-CZ3 4.21Å; W456-W749 HydrophobicContact CZ2-CE3 4.31Å; W456-W749 AromaticContact CZ2-CH2 3.94Å; W456-W749 HydrophobicContact CZ2-CH2 3.94Å; W456-W749 HydrophobicContact CZ2-CZ2 4.45Å; W456-W749 AromaticContact CZ2-CZ3 3.86Å; W456-W749 HydrophobicContact CZ2-CZ3 3.86Å; M457-W749 HydrophobicContact SD-CH2 3.97Å; M457-W749 HydrophobicContact SD-CZ3 3.68Å; T583-W749 VanDerWaalsContact CG2-CD1 3.45Å; T583-W749 HydrophobicContact CG2-CG 4.43Å; F586-W749 HydrophobicContact CB-CH2 4.03Å; F586-W749 HydrophobicContact CB-CZ2 3.44Å; F586-W749 VanDerWaalsContact CB-CZ2 3.44Å; F586-W749 HydrophobicContact CG-CZ2 4.49Å; F586-W749 WeakPolarHBondContact O-CZ2 3.44Å; W603-W749 AromaticContact CH2-CH2 3.67Å; W603-W749 HydrophobicContact CH2-CH2 3.67Å; W603-W749 HydrophobicContact CH2-CZ2 4.06Å; W603-W749 HydrophobicContact CZ2-CH2 4.04Å; W603-W749 HydrophobicContact CZ2-CZ2 4.48Å; F611-W749 HydrophobicContact CE2-CZ2 4.09Å

Retrieved 749 of 749 residues in 274 ms (Link to these results)

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