A0A3Q0KRI4_SCHMA Loading...

NRF domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KRI4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 745 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	56.1	Low	220 Å²	220	147 Å²	147	100%	1.084	72%	0.715	S	S	*	*				0	-40.3	0	-74	-175.3	89.2	0	0	114.2	R3 F4	M1-R3 VanDerWaalsContact C-N 3.35Å; M1-R3 PolarHBondContact O-N 2.85Å; M1-F4 PolarHBondContact O-N 2.87Å; M1-F4 VanDerWaalsContact O-N 3.16Å
2	L	45.2	Very low	56.8	Low	167 Å²	167	149.4 Å²	149.4	87%	0.874	71%	0.711	S	S	*	*	H	α-helix	trans	-64.6	-27.2	179.8	-88.6	137	0	0	0	115.6	F4	L2-F4 VanDerWaalsContact C-N 3.34Å
3	R	49.5	Very low	57.1	Low	222 Å²	222	148.7 Å²	148.7	84%	0.838	70%	0.703	S	S	*	*	H	α-helix	trans	-75	-17.5	173.2	-78	-175.9	176.7	179	-1.1	114.5	M1	M1-R3 VanDerWaalsContact C-N 3.35Å; M1-R3 PolarHBondContact O-N 2.85Å
4	F	55	Low	56.9	Low	162 Å²	162	144.2 Å²	144.2	71%	0.711	69%	0.685	S	S	*	*	H	α-helix	trans	-81.4	-22.6	-177.4	-131.3	-91.1	0	0	0	112.8	M1 L2 L8	M1-F4 PolarHBondContact O-N 2.87Å; M1-F4 VanDerWaalsContact O-N 3.16Å; L2-F4 VanDerWaalsContact C-N 3.34Å; F4-L8 HydrophobicContact CD1-CD1 4.4Å
5	K	59.3	Low	57.2	Low	171 Å²	171	144.9 Å²	144.9	74%	0.743	68%	0.679	S	S	*	*	H	α-helix	trans	-76.7	-31.4	176.7	-83.4	-171.7	172.8	-175.2	0	113.8
6	Q	57.8	Low	56.5	Low	138 Å²	138	139.4 Å²	139.4	65%	0.645	66%	0.66	S	S	*	*	H	α-helix	trans	-72.9	-35.7	179.9	-80.8	177.6	-28.1	0	0	112.8	L8 C9 L10	Q6-L8 PolarHBondContact O-N 3.17Å; Q6-C9 PolarHBondContact O-N 3.05Å; Q6-L10 PolarHBondContact O-N 3.21Å
7	N	64.4	Low	55.7	Low	103 Å²	103	137.8 Å²	137.8	55%	0.551	66%	0.656	S	S	*	*	H	α-helix	trans	-71	-29.2	177.9	-74.9	-5.5	0	0	0	112.9	L10 L11	N7-L10 PolarHBondContact O-N 3.47Å; N7-L11 VanDerWaalsContact O-CB 3.29Å; N7-L11 WeakPolarHBondContact O-CB 3.47Å; N7-L11 WeakPolarHBondContact O-CD1 3.19Å; N7-L11 WeakPolarHBondContact O-CG 3.48Å; N7-L11 PolarHBondContact O-N 3.29Å
8	L	62.2	Low	54.8	Low	116 Å²	116	137.4 Å²	137.4	61%	0.607	66%	0.657	S	S	*	*	H	α-helix	trans	-67.8	-39.9	174.6	-102.3	139.4	0	0	0	112.2	F4 Q6 W12	F4-L8 HydrophobicContact CD1-CD1 4.4Å; Q6-L8 PolarHBondContact O-N 3.17Å; L8-W12 WeakPolarHBondContact O-CB 3.27Å; L8-W12 PolarHBondContact O-N 3.09Å
9	C	61.5	Low	53.9	Low	94 Å²	94	137.5 Å²	137.5	64%	0.635	66%	0.656	S	S	*	*	H	α-helix	trans	-67.7	-39.2	174.7	-75.3	0	0	0	0	112.4	Q6 W12 F13	Q6-C9 PolarHBondContact O-N 3.05Å; C9-W12 PolarHBondContact O-N 3.37Å; C9-F13 WeakPolarHBondContact O-CB 3.5Å; C9-F13 PolarHBondContact O-N 3.1Å
10	L	60.8	Low	52.9	Low	103 Å²	103	135.9 Å²	135.9	54%	0.539	66%	0.659	S	S	.	*	H	α-helix	trans	-70.2	-39.1	177.8	-97.9	148.7	0	0	0	112.7	Q6 N7 W12 F13 L14	Q6-L10 PolarHBondContact O-N 3.21Å; N7-L10 PolarHBondContact O-N 3.47Å; L10-W12 VanDerWaalsContact C-N 3.34Å; L10-F13 PolarHBondContact O-N 3.3Å; L10-L14 HydrophobicContact CD2-CD1 4.48Å; L10-L14 VanDerWaalsContact O-CB 3.3Å; L10-L14 WeakPolarHBondContact O-CB 3.33Å; L10-L14 PolarHBondContact O-N 3.33Å
11	L	63	Low	51.8	Low	121 Å²	121	136.9 Å²	136.9	63%	0.634	67%	0.668	S	S	*	*	H	α-helix	trans	-66.2	-36.9	173.8	-79.4	162	0	0	0	111.5	N7 W15	N7-L11 VanDerWaalsContact O-CB 3.29Å; N7-L11 WeakPolarHBondContact O-CB 3.47Å; N7-L11 WeakPolarHBondContact O-CD1 3.19Å; N7-L11 WeakPolarHBondContact O-CG 3.48Å; N7-L11 PolarHBondContact O-N 3.29Å; L11-W15 WeakPolarHBondContact O-CB 3.2Å; L11-W15 PolarHBondContact O-N 3.13Å
12	W	64.2	Low	51.5	Low	176 Å²	176	130.6 Å²	130.6	67%	0.667	65%	0.651	S	S	*	*	H	α-helix	trans	-67.9	-40.3	174.9	-152.2	71	0	0	0	111.8	L8 C9 L10 W15 C16	L8-W12 WeakPolarHBondContact O-CB 3.27Å; L8-W12 PolarHBondContact O-N 3.09Å; C9-W12 PolarHBondContact O-N 3.37Å; L10-W12 VanDerWaalsContact C-N 3.34Å; W12-W15 PolarHBondContact O-N 3.33Å; W12-C16 WeakPolarHBondContact O-CB 3.35Å; W12-C16 PolarHBondContact O-N 3.5Å; W12-C16 PolarHBondContact O-SG 3.17Å
13	F	60	Low	50.6	Low	140 Å²	140	132.5 Å²	132.5	61%	0.614	65%	0.652	S	S	*	*	H	α-helix	trans	-69.4	-39.8	177.5	-144.7	-91.2	0	0	0	112.6	C9 L10 C16 L17	C9-F13 WeakPolarHBondContact O-CB 3.5Å; C9-F13 PolarHBondContact O-N 3.1Å; L10-F13 PolarHBondContact O-N 3.3Å; F13-C16 PolarHBondContact O-N 3.3Å; F13-L17 HydrophobicContact CD1-CD1 3.73Å; F13-L17 HydrophobicContact CD1-CG 4.41Å; F13-L17 HydrophobicContact CE1-CD1 4.03Å; F13-L17 WeakPolarHBondContact O-CG 3.49Å; F13-L17 PolarHBondContact O-N 3.39Å
14	L	54.5	Low	49.6	Very low	86 Å²	86	130.5 Å²	130.5	45%	0.45	65%	0.65	S	S	.	*	H	α-helix	trans	-70.8	-34.7	175	-82.8	158.2	0	0	0	112.2	L10 L17 L18	L10-L14 HydrophobicContact CD2-CD1 4.48Å; L10-L14 VanDerWaalsContact O-CB 3.3Å; L10-L14 WeakPolarHBondContact O-CB 3.33Å; L10-L14 PolarHBondContact O-N 3.33Å; L14-L17 PolarHBondContact O-N 3.11Å; L14-L18 WeakPolarHBondContact O-CB 3.39Å; L14-L18 PolarHBondContact O-N 3.11Å
15	W	61.9	Low	48.2	Very low	155 Å²	155	129 Å²	129	59%	0.587	66%	0.656	S	S	*	*	H	α-helix	trans	-65.4	-42.2	172.9	-171.6	59.6	0	0	0	111.3	L11 W12 L17 L18 H19	L11-W15 WeakPolarHBondContact O-CB 3.2Å; L11-W15 PolarHBondContact O-N 3.13Å; W12-W15 PolarHBondContact O-N 3.33Å; W15-L17 VanDerWaalsContact C-N 3.31Å; W15-L17 PolarHBondContact O-N 2.95Å; W15-L18 PolarHBondContact O-N 3.25Å; W15-H19 AromaticContact NE1-CD2 3.82Å; W15-H19 PolarHBondContact O-N 3.35Å; W15-H19 VanDerWaalsContact O-N 3.1Å
16	C	46	Very low	46.7	Very low	56 Å²	56	128.3 Å²	128.3	38%	0.378	66%	0.66	S	S	.	*	H	α-helix	trans	-62.3	-34.9	172.1	-73.1	0	0	0	0	113	W12 F13 C20	W12-C16 WeakPolarHBondContact O-CB 3.35Å; W12-C16 PolarHBondContact O-N 3.5Å; W12-C16 PolarHBondContact O-SG 3.17Å; F13-C16 PolarHBondContact O-N 3.3Å; C16-C20 PolarHBondContact O-SG 2.86Å
17	L	42	Very low	45.2	Very low	113 Å²	113	131.1 Å²	131.1	59%	0.592	67%	0.67	S	S	*	*	H	α-helix	trans	-78.7	-37.2	179	-75.9	166.1	0	0	0	113	F13 L14 W15	F13-L17 HydrophobicContact CD1-CD1 3.73Å; F13-L17 HydrophobicContact CD1-CG 4.41Å; F13-L17 HydrophobicContact CE1-CD1 4.03Å; F13-L17 WeakPolarHBondContact O-CG 3.49Å; F13-L17 PolarHBondContact O-N 3.39Å; L14-L17 PolarHBondContact O-N 3.11Å; W15-L17 VanDerWaalsContact C-N 3.31Å; W15-L17 PolarHBondContact O-N 2.95Å
18	L	41	Very low	43.5	Very low	130 Å²	130	132.1 Å²	132.1	68%	0.681	69%	0.685	S	S	*	*	H	α-helix	trans	-81.6	-21.3	-177.4	-79.6	157.7	0	0	0	113.6	L14 W15	L14-L18 WeakPolarHBondContact O-CB 3.39Å; L14-L18 PolarHBondContact O-N 3.11Å; W15-L18 PolarHBondContact O-N 3.25Å
19	H	37.8	Very low	41.8	Very low	139 Å²	139	130.9 Å²	130.9	64%	0.644	69%	0.686	S	S	*	*	S	Bend	trans	-98.3	3	175.6	-84.5	21.1	0	0	0	114.9	W15 N21	W15-H19 AromaticContact NE1-CD2 3.82Å; W15-H19 PolarHBondContact O-N 3.35Å; W15-H19 VanDerWaalsContact O-N 3.1Å; H19-N21 VanDerWaalsContact C-N 3.26Å; H19-N21 PolarHBondContact O-N 2.82Å
20	C	32.7	Very low	40.3	Very low	106 Å²	106	135 Å²	135	72%	0.716	70%	0.698	S	S	*	*	S	Bend	trans	-82.8	9.8	173.9	-90.3	0	0	0	0	115	C16	C16-C20 PolarHBondContact O-SG 2.86Å
21	N	29.9	Very low	39	Very low	156 Å²	156	138.7 Å²	138.7	83%	0.834	71%	0.709	S	S	*	*			trans	-112.4	69.6	171.6	-108.9	-9.5	0	0	0	111.4	H19	H19-N21 VanDerWaalsContact C-N 3.26Å; H19-N21 PolarHBondContact O-N 2.82Å
22	A	32.3	Very low	37.7	Very low	88 Å²	88	138.3 Å²	138.3	73%	0.727	71%	0.708	S	S	*	*			trans	-128.5	91.7	162.4	0	0	0	0	0	109.2	K24	A22-K24 PolarHBondContact O-N 3.43Å
23	K	27	Very low	36.4	Very low	208 Å²	208	133.2 Å²	133.2	90%	0.904	71%	0.71	S	S	*	*			trans	-56	105.7	162.2	-75.1	179.2	175.8	178.5	0	108.9
24	K	28	Very low	35.3	Very low	180 Å²	180	136.5 Å²	136.5	78%	0.783	72%	0.72	S	S	*	*			trans	-138.4	132.5	147.5	-81.4	-170.5	178.5	176.5	0	108.4	A22 L26	A22-K24 PolarHBondContact O-N 3.43Å; K24-L26 PolarHBondContact O-N 2.89Å; K24-L26 VanDerWaalsContact O-N 3.11Å
25	P	26.3	Very low	35	Very low	130 Å²	130	134.7 Å²	134.7	84%	0.844	71%	0.708	S	S	*	*			trans	-72.3	107.7	178.4	30	-29.9	0	0	0	108	K27	P25-K27 PolarHBondContact O-N 2.97Å
26	L	27.8	Very low	34.3	Very low	157 Å²	157	134.8 Å²	134.8	82%	0.822	72%	0.715	S	S	*	*			trans	-71.9	107.6	165.8	-109.1	93.3	0	0	0	107.5	K24 S28	K24-L26 PolarHBondContact O-N 2.89Å; K24-L26 VanDerWaalsContact O-N 3.11Å; L26-S28 PolarHBondContact O-N 3.43Å
27	K	26	Very low	34.2	Very low	197 Å²	197	140.4 Å²	140.4	86%	0.857	74%	0.736	S	S	*	*			trans	-50.1	131.3	164.6	-79.8	177.5	172.1	179.9	0	109.2	P25 S29	P25-K27 PolarHBondContact O-N 2.97Å; K27-S29 PolarHBondContact O-N 3.01Å
28	S	28.3	Very low	34.3	Very low	124 Å²	124	138.3 Å²	138.3	87%	0.867	73%	0.725	S	S	*	*	S	Bend	trans	-54.8	94.9	172	53.9	0	0	0	0	111.3	L26	L26-S28 PolarHBondContact O-N 3.43Å
29	S	27.7	Very low	34.3	Very low	90 Å²	90	140.2 Å²	140.2	63%	0.629	72%	0.724	S	S	*	*			trans	-163.8	58.5	157.4	-162	0	0	0	0	109.4	K27 K31	K27-S29 PolarHBondContact O-N 3.01Å; S29-K31 PolarHBondContact O-N 2.99Å
30	M	29.4	Very low	34.8	Very low	179 Å²	179	137.8 Å²	137.8	88%	0.882	72%	0.716	S	S	*	*			trans	-77	81.2	154.3	-78.7	-173.7	75.9	0	0	106.4	N32	M30-N32 PolarHBondContact O-N 3.33Å
31	K	33	Very low	35.6	Very low	181 Å²	181	139 Å²	139	79%	0.787	72%	0.715	S	S	*	*			trans	-55.3	129.4	159.6	-83.8	-175.2	170.8	-171.2	0	107.4	S29 G33	S29-K31 PolarHBondContact O-N 2.99Å; K31-G33 PolarHBondContact O-N 3.37Å
32	N	35.5	Very low	36.4	Very low	114 Å²	114	136.6 Å²	136.6	61%	0.61	70%	0.703	S	S	*	*			trans	-40.5	97.7	-178.5	-72.8	-25.2	0	0	0	112.9	M30 Y34 F35	M30-N32 PolarHBondContact O-N 3.33Å; N32-Y34 PolarHBondContact O-N 2.88Å; N32-F35 HydrophobicContact CB-CD2 4.16Å
33	G	37.1	Very low	37	Very low	68 Å²	68	137.6 Å²	137.6	70%	0.701	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-73.7	-8	173	0	0	0	0	0	113.7	K31 F35	K31-G33 PolarHBondContact O-N 3.37Å; G33-F35 VanDerWaalsContact C-N 3.28Å; G33-F35 PolarHBondContact O-N 3.4Å
34	Y	38.2	Very low	38.1	Very low	209 Å²	209	129.7 Å²	129.7	82%	0.82	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-74.5	-13.4	-177.5	-124.8	-88.2	0	0	0	114	N32	N32-Y34 PolarHBondContact O-N 2.88Å
35	F	48	Very low	39.1	Very low	48 Å²	48	127.5 Å²	127.5	21%	0.211	65%	0.654	C	S	.	*	G	3₁₀ helix	trans	-123.4	13.3	-166.4	-67.9	-62.4	0	0	0	115.2	N32 G33 E37 L38	N32-F35 HydrophobicContact CB-CD2 4.16Å; G33-F35 VanDerWaalsContact C-N 3.28Å; G33-F35 PolarHBondContact O-N 3.4Å; F35-E37 PolarHBondContact O-N 2.75Å; F35-E37 VanDerWaalsContact O-N 3.09Å; F35-L38 HydrophobicContact CB-CD1 4.14Å; F35-L38 HydrophobicContact CD1-CD1 3.2Å; F35-L38 HydrophobicContact CD1-CG 3.87Å; F35-L38 HydrophobicContact CE1-CD1 3.77Å; F35-L38 HydrophobicContact CG-CD1 3.93Å; F35-L38 PolarHBondContact O-N 3.5Å
36	H	45.5	Very low	40.2	Very low	157 Å²	157	125.4 Å²	125.4	73%	0.727	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-61.1	-20	174.8	-129.7	-67.4	0	0	0	112.4
37	E	44.5	Very low	41.3	Very low	174 Å²	174	119.4 Å²	119.4	81%	0.813	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-79.7	-19.4	176	-67.8	177.1	173.9	0	0	114.1	F35 Y39 D40	F35-E37 PolarHBondContact O-N 2.75Å; F35-E37 VanDerWaalsContact O-N 3.09Å; E37-Y39 PolarHBondContact O-N 3.25Å; E37-D40 PolarHBondContact O-N 3.4Å
38	L	44.8	Very low	42.4	Very low	70 Å²	70	112.1 Å²	112.1	37%	0.366	58%	0.58	S	S	.	*	G	3₁₀ helix	trans	-74.4	-9.9	174.5	-73.7	178.8	0	0	0	113.3	F35 D40 Y43	F35-L38 HydrophobicContact CB-CD1 4.14Å; F35-L38 HydrophobicContact CD1-CD1 3.2Å; F35-L38 HydrophobicContact CD1-CG 3.87Å; F35-L38 HydrophobicContact CE1-CD1 3.77Å; F35-L38 HydrophobicContact CG-CD1 3.93Å; F35-L38 PolarHBondContact O-N 3.5Å; L38-D40 VanDerWaalsContact C-N 3.28Å; L38-Y43 HydrophobicContact CD2-CD1 3.67Å; L38-Y43 HydrophobicContact CD2-CE1 3.3Å; L38-Y43 HydrophobicContact CD2-CE2 4.33Å; L38-Y43 HydrophobicContact CD2-CG 4.33Å
39	Y	40.2	Very low	43.5	Very low	170 Å²	170	110.3 Å²	110.3	67%	0.667	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-82.2	-0	176.6	-77.4	-84.1	0	0	0	113.5	E37 D41	E37-Y39 PolarHBondContact O-N 3.25Å; Y39-D41 PolarHBondContact O-N 2.97Å
40	D	48.4	Very low	44.3	Very low	88 Å²	88	110.3 Å²	110.3	47%	0.471	56%	0.559	S	S	.	*			trans	-73	121.3	174.3	-166.8	-27.2	0	0	0	110.2	E37 L38 N42 Y43 A44	E37-D40 PolarHBondContact O-N 3.4Å; L38-D40 VanDerWaalsContact C-N 3.28Å; D40-N42 PolarHBondContact O-N 2.84Å; D40-N42 VanDerWaalsContact O-N 3.07Å; D40-N42 PolarHBondContact OD1-N 3.45Å; D40-N42 VanDerWaalsContact OD1-N 3.13Å; D40-N42 PolarHBondContact OD1-ND2 2.76Å; D40-Y43 WeakPolarHBondContact O-CB 3.26Å; D40-Y43 PolarHBondContact O-N 3.43Å; D40-A44 PolarHBondContact O-N 3.44Å
41	D	50.3	Low	45.2	Very low	131 Å²	131	103.2 Å²	103.2	70%	0.701	53%	0.525	S	S	*	.	H	α-helix	trans	-54.3	-29	-179.3	-70.4	-41.5	0	0	0	112.5	Y39 Y43 A44 E45	Y39-D41 PolarHBondContact O-N 2.97Å; D41-Y43 VanDerWaalsContact C-N 3.34Å; D41-Y43 PolarHBondContact O-N 3.31Å; D41-A44 WeakPolarHBondContact O-CB 3.32Å; D41-A44 PolarHBondContact O-N 3.19Å; D41-E45 PolarHBondContact O-N 2.84Å; D41-E45 VanDerWaalsContact O-N 3.11Å
42	N	45.6	Very low	46	Very low	106 Å²	106	99.5 Å²	99.5	57%	0.567	51%	0.513	S	S	*	.	H	α-helix	trans	-67.7	-31.8	177.5	-65.1	-57.7	0	0	0	113.2	D40 S46	D40-N42 PolarHBondContact O-N 2.84Å; D40-N42 VanDerWaalsContact O-N 3.07Å; D40-N42 PolarHBondContact OD1-N 3.45Å; D40-N42 VanDerWaalsContact OD1-N 3.13Å; D40-N42 PolarHBondContact OD1-ND2 2.76Å; N42-S46 PolarHBondContact O-N 3.43Å; N42-S46 PolarHBondContact O-OG 3.07Å; N42-S46 VanDerWaalsContact O-OG 3.08Å
43	Y	45.8	Very low	46.4	Very low	109 Å²	109	100.5 Å²	100.5	43%	0.427	52%	0.518	S	S	.	.	H	α-helix	trans	-69.8	-41.5	174.7	-170.1	-93.8	0	0	0	110.2	L38 D40 D41 E45 S46 F47	L38-Y43 HydrophobicContact CD2-CD1 3.67Å; L38-Y43 HydrophobicContact CD2-CE1 3.3Å; L38-Y43 HydrophobicContact CD2-CE2 4.33Å; L38-Y43 HydrophobicContact CD2-CG 4.33Å; D40-Y43 WeakPolarHBondContact O-CB 3.26Å; D40-Y43 PolarHBondContact O-N 3.43Å; D41-Y43 VanDerWaalsContact C-N 3.34Å; D41-Y43 PolarHBondContact O-N 3.31Å; Y43-E45 VanDerWaalsContact C-N 3.32Å; Y43-E45 PolarHBondContact O-N 3.12Å; Y43-S46 PolarHBondContact O-N 3.15Å; Y43-F47 VanDerWaalsContact O-CB 3.3Å; Y43-F47 WeakPolarHBondContact O-CB 3.09Å; Y43-F47 PolarHBondContact O-N 2.85Å
44	A	49.7	Very low	46.6	Very low	41 Å²	41	103.2 Å²	103.2	34%	0.339	51%	0.51	S	S	.	.	H	α-helix	trans	-61.3	-38	176.8	0	0	0	0	0	112.4	D40 D41 N48	D40-A44 PolarHBondContact O-N 3.44Å; D41-A44 WeakPolarHBondContact O-CB 3.32Å; D41-A44 PolarHBondContact O-N 3.19Å; A44-N48 WeakPolarHBondContact O-CB 3.36Å; A44-N48 PolarHBondContact O-N 3.46Å; A44-N48 PolarHBondContact O-ND2 3.13Å; A44-N48 PolarHBondContact O-OD1 3.08Å
45	E	50.3	Low	47	Very low	134 Å²	134	95.6 Å²	95.6	63%	0.626	49%	0.486	S	S	*	.	H	α-helix	trans	-68.2	-45.8	175.9	-75.5	-168	166.1	0	0	113.6	D41 Y43 F47 N48 S49	D41-E45 PolarHBondContact O-N 2.84Å; D41-E45 VanDerWaalsContact O-N 3.11Å; Y43-E45 VanDerWaalsContact C-N 3.32Å; Y43-E45 PolarHBondContact O-N 3.12Å; E45-F47 PolarHBondContact O-N 2.95Å; E45-N48 WeakPolarHBondContact O-CB 3.4Å; E45-N48 PolarHBondContact O-N 2.92Å; E45-N48 VanDerWaalsContact O-N 3.09Å; E45-S49 PolarHBondContact O-N 3.17Å; E45-S49 VanDerWaalsContact O-N 3.12Å
46	S	48.9	Very low	46.9	Very low	86 Å²	86	98.5 Å²	98.5	60%	0.601	50%	0.503	S	S	*	.	H	α-helix	trans	-60	-40.3	176.9	-60.1	0	0	0	0	111	N42 Y43 S49 M50	N42-S46 PolarHBondContact O-N 3.43Å; N42-S46 PolarHBondContact O-OG 3.07Å; N42-S46 VanDerWaalsContact O-OG 3.08Å; Y43-S46 PolarHBondContact O-N 3.15Å; S46-S49 PolarHBondContact O-N 3.03Å; S46-M50 PolarHBondContact O-N 3.49Å
47	F	50.1	Low	46.8	Very low	31 Å²	31	96.7 Å²	96.7	14%	0.136	50%	0.499	C	S	.	.	H	α-helix	trans	-65.5	-41	173.3	-171	-93.9	0	0	0	112.7	Y43 E45 S49 M50 N51 L90 L93	Y43-F47 VanDerWaalsContact O-CB 3.3Å; Y43-F47 WeakPolarHBondContact O-CB 3.09Å; Y43-F47 PolarHBondContact O-N 2.85Å; E45-F47 PolarHBondContact O-N 2.95Å; F47-S49 VanDerWaalsContact C-N 3.29Å; F47-S49 PolarHBondContact O-N 3.14Å; F47-M50 HydrophobicContact CD2-CE 4.29Å; F47-M50 PolarHBondContact O-N 3.21Å; F47-N51 HydrophobicContact CD1-CB 4.45Å; F47-N51 HydrophobicContact CE1-CB 4.4Å; F47-N51 VanDerWaalsContact O-CB 3.25Å; F47-N51 WeakPolarHBondContact O-CB 3.36Å; F47-N51 PolarHBondContact O-N 3.4Å; F47-L90 HydrophobicContact CD1-CD2 4.33Å; F47-L90 HydrophobicContact CE1-CD2 3.38Å; F47-L90 HydrophobicContact CZ-CD2 3.51Å; F47-L93 HydrophobicContact CE1-CD2 4.14Å; F47-L93 HydrophobicContact CE2-CD2 4.11Å; F47-L93 HydrophobicContact CE2-CG 4.32Å; F47-L93 HydrophobicContact CZ-CD2 3.33Å; F47-L93 HydrophobicContact CZ-CG 3.95Å
48	N	50.2	Low	46.9	Very low	44 Å²	44	91.7 Å²	91.7	24%	0.235	48%	0.48	C	S	.	.	H	α-helix	trans	-59.6	-37.8	177.1	-69.7	-37.9	0	0	0	112.2	A44 E45 N52 K85	A44-N48 WeakPolarHBondContact O-CB 3.36Å; A44-N48 PolarHBondContact O-N 3.46Å; A44-N48 PolarHBondContact O-ND2 3.13Å; A44-N48 PolarHBondContact O-OD1 3.08Å; E45-N48 WeakPolarHBondContact O-CB 3.4Å; E45-N48 PolarHBondContact O-N 2.92Å; E45-N48 VanDerWaalsContact O-N 3.09Å; N48-N52 PolarHBondContact O-N 3.47Å; N48-N52 VanDerWaalsContact O-N 3.07Å; N48-N52 PolarHBondContact O-ND2 3.39Å; N48-K85 PolarHBondContact ND2-NZ 2.9Å; N48-K85 WeakPolarHBondContact OD1-CE 3.32Å; N48-K85 PolarHBondContact OD1-NZ 3.37Å
49	S	51.2	Low	46.7	Very low	87 Å²	87	94 Å²	94	61%	0.608	49%	0.485	S	S	*	.	H	α-helix	trans	-66.5	-43.6	178.4	-163.6	0	0	0	0	112	E45 S46 F47	E45-S49 PolarHBondContact O-N 3.17Å; E45-S49 VanDerWaalsContact O-N 3.12Å; S46-S49 PolarHBondContact O-N 3.03Å; F47-S49 VanDerWaalsContact C-N 3.29Å; F47-S49 PolarHBondContact O-N 3.14Å
50	M	44.1	Very low	46.8	Very low	90 Å²	90	91.2 Å²	91.2	44%	0.443	49%	0.486	S	S	.	.	H	α-helix	trans	-68.3	-40	176.5	-171.2	169.9	63.3	0	0	112.2	S46 F47 L53 F54	S46-M50 PolarHBondContact O-N 3.49Å; F47-M50 HydrophobicContact CD2-CE 4.29Å; F47-M50 PolarHBondContact O-N 3.21Å; M50-L53 WeakPolarHBondContact O-CB 3.16Å; M50-L53 PolarHBondContact O-N 2.96Å; M50-F54 PolarHBondContact O-N 3.06Å
51	N	48.3	Very low	46.5	Very low	30 Å²	30	92.8 Å²	92.8	16%	0.16	49%	0.494	C	S	.	.	H	α-helix	trans	-66.3	-40.4	-179.2	-163.4	36.1	0	0	0	112.3	F47 L53 F54 V55	F47-N51 HydrophobicContact CD1-CB 4.45Å; F47-N51 HydrophobicContact CE1-CB 4.4Å; F47-N51 VanDerWaalsContact O-CB 3.25Å; F47-N51 WeakPolarHBondContact O-CB 3.36Å; F47-N51 PolarHBondContact O-N 3.4Å; N51-L53 PolarHBondContact O-N 3.12Å; N51-F54 PolarHBondContact O-N 3.28Å; N51-V55 WeakPolarHBondContact O-CB 3.46Å; N51-V55 VanDerWaalsContact O-CG2 3.24Å; N51-V55 WeakPolarHBondContact O-CG2 3.27Å; N51-V55 PolarHBondContact O-N 3.03Å; N51-V55 WeakPolarHBondContact OD1-CG2 3.44Å
52	N	48.7	Very low	46.1	Very low	102 Å²	102	89.9 Å²	89.9	55%	0.545	48%	0.478	S	S	.	.	H	α-helix	trans	-61.3	-30.4	176.3	-81.2	-23.8	0	0	0	113.1	N48	N48-N52 PolarHBondContact O-N 3.47Å; N48-N52 VanDerWaalsContact O-N 3.07Å; N48-N52 PolarHBondContact O-ND2 3.39Å
53	L	44	Very low	46	Very low	136 Å²	136	93.1 Å²	93.1	71%	0.712	49%	0.487	S	S	*	.	H	α-helix	trans	-73.8	-34.8	178.8	-130.9	151.2	0	0	0	112	M50 N51	M50-L53 WeakPolarHBondContact O-CB 3.16Å; M50-L53 PolarHBondContact O-N 2.96Å; N51-L53 PolarHBondContact O-N 3.12Å
54	F	42.5	Very low	46.3	Very low	124 Å²	124	91 Å²	91	54%	0.544	48%	0.483	S	S	.	.	H	α-helix	trans	-84.3	-43.5	178.1	-93.2	-88.8	0	0	0	113.4	M50 N51 V58	M50-F54 PolarHBondContact O-N 3.06Å; N51-F54 PolarHBondContact O-N 3.28Å; F54-V58 WeakPolarHBondContact O-CB 3.33Å; F54-V58 WeakPolarHBondContact O-CG2 3.43Å; F54-V58 PolarHBondContact O-N 3.32Å
55	V	45.9	Very low	46.2	Very low	49 Å²	49	91.2 Å²	91.2	30%	0.297	48%	0.481	S	S	.	.	H	α-helix	trans	-72.8	-42.7	-167.8	172	0	0	0	0	113.1	N51 N57 Y59	N51-V55 WeakPolarHBondContact O-CB 3.46Å; N51-V55 VanDerWaalsContact O-CG2 3.24Å; N51-V55 WeakPolarHBondContact O-CG2 3.27Å; N51-V55 PolarHBondContact O-N 3.03Å; N51-V55 WeakPolarHBondContact OD1-CG2 3.44Å; V55-N57 VanDerWaalsContact C-N 3.35Å; V55-N57 PolarHBondContact O-N 2.92Å; V55-Y59 WeakPolarHBondContact O-CB 3.32Å; V55-Y59 PolarHBondContact O-N 2.89Å
56	N	45.3	Very low	46.1	Very low	109 Å²	109	94.3 Å²	94.3	58%	0.583	50%	0.495	S	S	*	.	H	α-helix	trans	-71.4	-25	-171.7	-79.1	-18.6	0	0	0	114.4	T60	N56-T60 PolarHBondContact O-OG1 3.39Å
57	N	45	Very low	46.4	Very low	120 Å²	120	92.9 Å²	92.9	64%	0.642	48%	0.481	S	S	*	.	H	α-helix	trans	-99.2	-24.4	-178.4	-79.6	-16.4	0	0	0	114	V55 N61	V55-N57 VanDerWaalsContact C-N 3.35Å; V55-N57 PolarHBondContact O-N 2.92Å; N57-N61 PolarHBondContact O-ND2 3.21Å; N57-N61 VanDerWaalsContact O-ND2 3.1Å
58	V	45.1	Very low	47.3	Very low	69 Å²	69	101.2 Å²	101.2	42%	0.418	52%	0.517	S	S	.	.	H	α-helix	trans	-99.4	-39.2	-170.3	178.8	0	0	0	0	111.8	F54 N61 L62	F54-V58 WeakPolarHBondContact O-CB 3.33Å; F54-V58 WeakPolarHBondContact O-CG2 3.43Å; F54-V58 PolarHBondContact O-N 3.32Å; V58-N61 PolarHBondContact O-N 2.9Å; V58-L62 HydrophobicContact CG1-CD1 3.4Å; V58-L62 HydrophobicContact CG1-CG 4.01Å; V58-L62 WeakPolarHBondContact O-CB 3.38Å; V58-L62 PolarHBondContact O-N 3.32Å
59	Y	41.1	Very low	48.8	Very low	117 Å²	117	101.2 Å²	101.2	46%	0.459	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-36.9	-175.2	-167	-98.7	0	0	0	113.5	V55 N61 I79	V55-Y59 WeakPolarHBondContact O-CB 3.32Å; V55-Y59 PolarHBondContact O-N 2.89Å; Y59-N61 PolarHBondContact O-N 3.43Å; Y59-I79 HydrophobicContact CD2-CG2 4.3Å; Y59-I79 HydrophobicContact CE2-CG2 3.78Å
60	T	43.3	Very low	50.6	Low	112 Å²	112	100.2 Å²	100.2	69%	0.687	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.4	176.5	39.5	0	0	0	0	113.3	N56	N56-T60 PolarHBondContact O-OG1 3.39Å
61	N	41.9	Very low	52.8	Low	122 Å²	122	96 Å²	96	65%	0.652	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-16.9	-177.9	-69	-44.9	0	0	0	114.1	N57 V58 Y59 K63	N57-N61 PolarHBondContact O-ND2 3.21Å; N57-N61 VanDerWaalsContact O-ND2 3.1Å; V58-N61 PolarHBondContact O-N 2.9Å; Y59-N61 PolarHBondContact O-N 3.43Å; N61-K63 VanDerWaalsContact C-N 3.34Å; N61-K63 PolarHBondContact O-N 2.87Å
62	L	41.7	Very low	54.6	Low	69 Å²	69	95.8 Å²	95.8	36%	0.361	49%	0.493	S	S	.	.			trans	-71.8	90.4	171.7	-90.6	166.2	0	0	0	109.3	V58 L64	V58-L62 HydrophobicContact CG1-CD1 3.4Å; V58-L62 HydrophobicContact CG1-CG 4.01Å; V58-L62 WeakPolarHBondContact O-CB 3.38Å; V58-L62 PolarHBondContact O-N 3.32Å; L62-L64 PolarHBondContact O-N 2.82Å
63	K	43.8	Very low	56.5	Low	174 Å²	174	95 Å²	95	76%	0.757	49%	0.489	S	S	*	.			trans	-63.5	88.1	153.4	-73.3	-174.7	178.6	-176.7	0	107.2	N61	N61-K63 VanDerWaalsContact C-N 3.34Å; N61-K63 PolarHBondContact O-N 2.87Å
64	L	50.2	Low	58.7	Low	66 Å²	66	88.5 Å²	88.5	35%	0.346	46%	0.455	S	S	.	.			trans	-53.3	126.2	159.1	-74.3	167.9	0	0	0	105.5	L62 E66	L62-L64 PolarHBondContact O-N 2.82Å; L64-E66 PolarHBondContact O-N 2.97Å
65	P	48.3	Very low	61	Low	45 Å²	45	83.7 Å²	83.7	29%	0.292	44%	0.435	S	S	.	.			trans	-56.1	139.4	176.8	26.6	-34.7	0	0	0	107.5	I67 I175	P65-I67 HydrophobicContact CB-CD1 3.81Å; P65-I67 HydrophobicContact CB-CG1 3.81Å; P65-I67 HydrophobicContact CG-CD1 3.54Å; P65-I67 HydrophobicContact CG-CG1 3.97Å; P65-I67 PolarHBondContact O-N 3.18Å; P65-I175 HydrophobicContact CG-CG1 4.42Å
66	E	48.7	Very low	63	Low	198 Å²	198	84.3 Å²	84.3	93%	0.925	44%	0.436	S	S	*	.			trans	-67.1	47.9	-178.8	-69.2	-176.8	162.6	0	0	112	L64 K68	L64-E66 PolarHBondContact O-N 2.97Å; E66-K68 PolarHBondContact O-N 3.23Å
67	I	54.3	Low	65.1	Low	56 Å²	56	80.8 Å²	80.8	29%	0.287	42%	0.417	S	S	.	.			trans	-84.9	104.3	-178.4	-61.4	177	0	0	0	106	P65 T69 A72	P65-I67 HydrophobicContact CB-CD1 3.81Å; P65-I67 HydrophobicContact CB-CG1 3.81Å; P65-I67 HydrophobicContact CG-CD1 3.54Å; P65-I67 HydrophobicContact CG-CG1 3.97Å; P65-I67 PolarHBondContact O-N 3.18Å; I67-T69 HydrophobicContact CG2-CG2 3.26Å; I67-T69 VanDerWaalsContact CG2-OG1 3.29Å; I67-T69 WeakPolarHBondContact CG2-OG1 3.41Å; I67-T69 PolarHBondContact O-N 2.75Å; I67-A72 WeakPolarHBondContact O-CB 2.99Å
68	K	68.7	Low	67.2	Low	206 Å²	206	75.8 Å²	75.8	90%	0.896	39%	0.39	S	S	*	.			trans	-74.3	54.1	170.3	-67	-178.1	178.9	178.3	0	111.1	E66	E66-K68 PolarHBondContact O-N 3.23Å
69	T	82.9	Confident	69.3	Low	45 Å²	45	75 Å²	75	28%	0.276	38%	0.383	S	S	.	.	S	Bend	trans	-102.2	159.4	173.6	64.2	0	0	0	0	111	I67 C71 A72 N73 E171	I67-T69 HydrophobicContact CG2-CG2 3.26Å; I67-T69 VanDerWaalsContact CG2-OG1 3.29Å; I67-T69 WeakPolarHBondContact CG2-OG1 3.41Å; I67-T69 PolarHBondContact O-N 2.75Å; T69-C71 PolarHBondContact O-N 2.92Å; T69-A72 PolarHBondContact O-N 2.96Å; T69-N73 PolarHBondContact O-N 3.09Å; T69-E171 VanDerWaalsContact CB-OE1 3.3Å; T69-E171 WeakPolarHBondContact CB-OE1 3.27Å; T69-E171 WeakPolarHBondContact CG2-OE1 3.1Å; T69-E171 PolarHBondContact OG1-OE1 3.31Å
70	S	88.3	Confident	71.6	Confident	66 Å²	66	73 Å²	73	46%	0.462	38%	0.38	S	S	.	.	H	α-helix	trans	-55.2	-42.5	174.8	-167	0	0	0	0	111.1	A72 N73 D74	S70-A72 PolarHBondContact O-N 3.43Å; S70-N73 PolarHBondContact O-N 2.79Å; S70-D74 VanDerWaalsContact O-CG 3.23Å; S70-D74 PolarHBondContact O-N 3.45Å; S70-D74 VanDerWaalsContact O-OD2 3.11Å; S70-D74 PolarHBondContact OG-OD2 2.89Å
71	C	90.1	Very high	73.7	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.007	35%	0.348	C	S	.	.	H	α-helix	trans	-53.8	-49.6	176.7	170.6	0	0	0	0	112.6	T69 N73 D74 I75 C167	T69-C71 PolarHBondContact O-N 2.92Å; C71-N73 VanDerWaalsContact C-N 3.34Å; C71-N73 PolarHBondContact O-N 3.49Å; C71-D74 PolarHBondContact O-N 2.76Å; C71-I75 VanDerWaalsContact O-CG1 3.28Å; C71-I75 WeakPolarHBondContact O-CG1 3.25Å; C71-I75 PolarHBondContact O-N 2.81Å; C71-C167 HydrophobicContact CB-CB 3.86Å; C71-C167 WeakPolarHBondContact CB-SG 3.39Å; C71-C167 VanDerWaalsContact SG-CA 3.53Å; C71-C167 WeakPolarHBondContact SG-CB 3.37Å; C71-C167 CovalentContact SG-SG 2.03Å; C71-C167 PolarHBondContact SG-SG 2.96Å
72	A	87	Confident	75.9	Confident	26 Å²	26	63.1 Å²	63.1	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-64.6	-38.5	180	0	0	0	0	0	112.4	I67 T69 S70 L76	I67-A72 WeakPolarHBondContact O-CB 2.99Å; T69-A72 PolarHBondContact O-N 2.96Å; S70-A72 PolarHBondContact O-N 3.43Å; A72-L76 WeakPolarHBondContact O-CB 3.28Å; A72-L76 PolarHBondContact O-N 3.08Å
73	N	87.7	Confident	78.2	Confident	84 Å²	84	68.3 Å²	68.3	45%	0.449	34%	0.339	S	S	.	.	H	α-helix	trans	-64.9	-41.9	174.9	-70.1	-20.5	0	0	0	111.8	T69 S70 C71 L76 N77	T69-N73 PolarHBondContact O-N 3.09Å; S70-N73 PolarHBondContact O-N 2.79Å; C71-N73 VanDerWaalsContact C-N 3.34Å; C71-N73 PolarHBondContact O-N 3.49Å; N73-L76 PolarHBondContact O-N 3.47Å; N73-N77 VanDerWaalsContact O-CG 3.3Å; N73-N77 PolarHBondContact O-N 3.15Å; N73-N77 PolarHBondContact O-ND2 3.39Å
74	D	91.2	Very high	80.3	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-67.5	-40.5	178.6	-66	-33.5	0	0	0	111.5	S70 C71 L76 N77 I78 H124 F134 P164 T166	S70-D74 VanDerWaalsContact O-CG 3.23Å; S70-D74 PolarHBondContact O-N 3.45Å; S70-D74 VanDerWaalsContact O-OD2 3.11Å; S70-D74 PolarHBondContact OG-OD2 2.89Å; C71-D74 PolarHBondContact O-N 2.76Å; D74-L76 VanDerWaalsContact C-N 3.34Å; D74-L76 PolarHBondContact O-N 3.34Å; D74-N77 PolarHBondContact O-N 2.7Å; D74-I78 WeakPolarHBondContact O-CG1 3.3Å; D74-I78 PolarHBondContact O-N 3.37Å; D74-H124 IonicContact OD1-CE1 2.66Å; D74-H124 PolarHBondContact OD1-CE1 3Å; D74-H124 IonicContact OD1-NE2 2.62Å; D74-H124 PolarHBondContact OD1-NE2 3.33Å; D74-F134 HydrophobicContact CB-CD1 3.98Å; D74-F134 HydrophobicContact CB-CD2 4.25Å; D74-F134 HydrophobicContact CB-CE1 3.91Å; D74-F134 HydrophobicContact CB-CE2 4.16Å; D74-F134 HydrophobicContact CB-CG 4.15Å; D74-F134 HydrophobicContact CB-CZ 3.99Å; D74-F134 WeakPolarHBondContact OD1-CD1 3.35Å; D74-F134 WeakPolarHBondContact OD1-CE1 3.46Å; D74-P164 HydrophobicContact CB-CB 3.84Å; D74-P164 HydrophobicContact CB-CG 3.64Å; D74-T166 VanDerWaalsContact OD2-CB 3.29Å; D74-T166 WeakPolarHBondContact OD2-CB 3.42Å; D74-T166 WeakPolarHBondContact OD2-CG2 3.43Å; D74-T166 PolarHBondContact OD2-OG1 2.92Å
75	I	90.5	Very high	82	Confident	22 Å²	22	67.1 Å²	67.1	11%	0.113	33%	0.333	C	S	.	.	H	α-helix	trans	-59.6	-45.3	171.6	-69.5	168.7	0	0	0	110.4	C71 N77 I78 I79 M163 P164 I175	C71-I75 VanDerWaalsContact O-CG1 3.28Å; C71-I75 WeakPolarHBondContact O-CG1 3.25Å; C71-I75 PolarHBondContact O-N 2.81Å; I75-N77 VanDerWaalsContact C-N 3.33Å; I75-N77 PolarHBondContact O-N 3.28Å; I75-I78 PolarHBondContact O-N 3.28Å; I75-I79 HydrophobicContact CG2-CD1 3.88Å; I75-I79 WeakPolarHBondContact O-CG1 3.45Å; I75-I79 PolarHBondContact O-N 2.83Å; I75-M163 HydrophobicContact CD1-SD 4.07Å; I75-M163 HydrophobicContact CG1-SD 4.41Å; I75-P164 HydrophobicContact CG1-CG 4.12Å; I75-I175 HydrophobicContact CD1-CD1 3.85Å
76	L	88.1	Confident	83.9	Confident	63 Å²	63	66.3 Å²	66.3	33%	0.33	33%	0.325	S	S	.	.	H	α-helix	trans	-61.7	-41.4	177.8	-175.3	66.1	0	0	0	111.6	A72 N73 D74 I78 I79 L80	A72-L76 WeakPolarHBondContact O-CB 3.28Å; A72-L76 PolarHBondContact O-N 3.08Å; N73-L76 PolarHBondContact O-N 3.47Å; D74-L76 VanDerWaalsContact C-N 3.34Å; D74-L76 PolarHBondContact O-N 3.34Å; L76-I78 PolarHBondContact O-N 2.88Å; L76-I79 PolarHBondContact O-N 2.82Å; L76-L80 HydrophobicContact CG-CD1 4.23Å; L76-L80 WeakPolarHBondContact O-CB 3.46Å; L76-L80 WeakPolarHBondContact O-CG 3.45Å; L76-L80 PolarHBondContact O-N 3.33Å
77	N	88.2	Confident	85.7	Confident	34 Å²	34	59.1 Å²	59.1	18%	0.182	30%	0.297	C	S	.	.	H	α-helix	trans	-62.8	-40.5	175.9	-72.3	-29.5	0	0	0	112.3	N73 D74 I75 L80 G81 H124	N73-N77 VanDerWaalsContact O-CG 3.3Å; N73-N77 PolarHBondContact O-N 3.15Å; N73-N77 PolarHBondContact O-ND2 3.39Å; D74-N77 PolarHBondContact O-N 2.7Å; I75-N77 VanDerWaalsContact C-N 3.33Å; I75-N77 PolarHBondContact O-N 3.28Å; N77-L80 PolarHBondContact O-N 3.08Å; N77-G81 PolarHBondContact O-N 2.79Å; N77-H124 PolarHBondContact ND2-CD2 3.41Å
78	I	90.7	Very high	87.4	Confident	15 Å²	15	57 Å²	57	8%	0.077	29%	0.285	C	S	.	.	H	α-helix	trans	-60.1	-48.2	173.1	-66.4	160.3	0	0	0	110.2	D74 I75 L76 L80 G81 I82 W88 W92 F134 P164	D74-I78 WeakPolarHBondContact O-CG1 3.3Å; D74-I78 PolarHBondContact O-N 3.37Å; I75-I78 PolarHBondContact O-N 3.28Å; L76-I78 PolarHBondContact O-N 2.88Å; I78-L80 PolarHBondContact O-N 3.4Å; I78-G81 PolarHBondContact O-N 3.38Å; I78-I82 HydrophobicContact CG2-CD1 3.81Å; I78-I82 HydrophobicContact CG2-CG1 4.39Å; I78-I82 WeakPolarHBondContact O-CG1 3.26Å; I78-I82 PolarHBondContact O-N 3.47Å; I78-W88 HydrophobicContact CG1-CZ3 4.14Å; I78-W92 HydrophobicContact CD1-CD2 3.66Å; I78-W92 HydrophobicContact CD1-CE3 3.41Å; I78-W92 VanDerWaalsContact CD1-CE3 3.41Å; I78-W92 HydrophobicContact CD1-CG 4.28Å; I78-W92 HydrophobicContact CD1-CH2 4.11Å; I78-W92 HydrophobicContact CD1-CZ2 4.35Å; I78-W92 HydrophobicContact CD1-CZ3 3.66Å; I78-W92 HydrophobicContact CG1-CD2 3.97Å; I78-W92 HydrophobicContact CG1-CE3 4.24Å; I78-W92 HydrophobicContact CG1-CG 4.2Å; I78-W92 HydrophobicContact CG2-CB 3.72Å; I78-W92 HydrophobicContact CG2-CG 4.02Å; I78-F134 HydrophobicContact CD1-CE2 3.82Å; I78-F134 HydrophobicContact CD1-CZ 4.35Å; I78-F134 HydrophobicContact CG1-CE2 3.84Å; I78-F134 HydrophobicContact CG1-CZ 3.95Å; I78-P164 HydrophobicContact CD1-CG 3.7Å
79	I	89.1	Confident	88.5	Confident	53 Å²	53	47.2 Å²	47.2	27%	0.272	24%	0.243	S	C	.	.	H	α-helix	trans	-61.7	-44.6	-179.4	-65.3	166	0	0	0	111.1	Y59 I75 L76 G81 I82 Y83	Y59-I79 HydrophobicContact CD2-CG2 4.3Å; Y59-I79 HydrophobicContact CE2-CG2 3.78Å; I75-I79 HydrophobicContact CG2-CD1 3.88Å; I75-I79 WeakPolarHBondContact O-CG1 3.45Å; I75-I79 PolarHBondContact O-N 2.83Å; L76-I79 PolarHBondContact O-N 2.82Å; I79-G81 VanDerWaalsContact C-N 3.32Å; I79-G81 PolarHBondContact O-N 3.02Å; I79-I82 PolarHBondContact O-N 3.31Å; I79-Y83 PolarHBondContact O-N 3.14Å
80	L	88	Confident	88.9	Confident	74 Å²	74	47.4 Å²	47.4	39%	0.387	24%	0.242	S	C	.	.	H	α-helix	trans	-62	-41	175.4	-71.8	173.6	0	0	0	111.5	L76 N77 I78 Y83 Q84	L76-L80 HydrophobicContact CG-CD1 4.23Å; L76-L80 WeakPolarHBondContact O-CB 3.46Å; L76-L80 WeakPolarHBondContact O-CG 3.45Å; L76-L80 PolarHBondContact O-N 3.33Å; N77-L80 PolarHBondContact O-N 3.08Å; I78-L80 PolarHBondContact O-N 3.4Å; L80-Y83 PolarHBondContact O-N 3.29Å; L80-Q84 WeakPolarHBondContact O-CB 3.47Å; L80-Q84 VanDerWaalsContact O-CG 3.3Å; L80-Q84 WeakPolarHBondContact O-CG 3.44Å; L80-Q84 PolarHBondContact O-N 2.91Å
81	G	87.3	Confident	89.1	Confident	2 Å²	2	46 Å²	46	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-41	174.8	0	0	0	0	0	112.7	N77 I78 I79 Q84 K85 Q86	N77-G81 PolarHBondContact O-N 2.79Å; I78-G81 PolarHBondContact O-N 3.38Å; I79-G81 VanDerWaalsContact C-N 3.32Å; I79-G81 PolarHBondContact O-N 3.02Å; G81-Q84 CarbonylContact O-C 3.47Å; G81-Q84 PolarHBondContact O-N 3.19Å; G81-K85 PolarHBondContact O-N 3.32Å; G81-K85 VanDerWaalsContact O-N 3.08Å; G81-Q86 PolarHBondContact O-N 3.1Å
82	I	89.7	Confident	89.3	Confident	25 Å²	25	46.2 Å²	46.2	13%	0.128	23%	0.228	C	C	.	.	H	α-helix	trans	-63.1	-46.7	175.2	-69.6	163.6	0	0	0	110.3	I78 I79 Q84 K85 A89 L93	I78-I82 HydrophobicContact CG2-CD1 3.81Å; I78-I82 HydrophobicContact CG2-CG1 4.39Å; I78-I82 WeakPolarHBondContact O-CG1 3.26Å; I78-I82 PolarHBondContact O-N 3.47Å; I79-I82 PolarHBondContact O-N 3.31Å; I82-Q84 VanDerWaalsContact C-N 3.25Å; I82-Q84 PolarHBondContact O-N 2.84Å; I82-K85 PolarHBondContact O-N 3.45Å; I82-A89 HydrophobicContact CG1-CB 4.13Å; I82-A89 WeakPolarHBondContact CG1-O 3.42Å; I82-L93 HydrophobicContact CD1-CB 3.87Å; I82-L93 HydrophobicContact CD1-CD2 4.16Å; I82-L93 HydrophobicContact CD1-CG 4.49Å; I82-L93 HydrophobicContact CG1-CB 4.21Å; I82-L93 HydrophobicContact CG1-CD2 4.36Å; I82-L93 HydrophobicContact CG2-CD2 3.65Å
83	Y	88.6	Confident	89.5	Confident	179 Å²	179	46.7 Å²	46.7	70%	0.702	23%	0.227	S	C	*	.	H	α-helix	trans	-60.3	-38.1	177.8	-175.5	-97.5	0	0	0	111.9	I79 L80 K85	I79-Y83 PolarHBondContact O-N 3.14Å; L80-Y83 PolarHBondContact O-N 3.29Å; Y83-K85 PolarHBondContact O-N 3.08Å
84	Q	87.8	Confident	89.8	Confident	92 Å²	92	45.8 Å²	45.8	43%	0.43	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	3.9	175.8	-67.3	177.4	14.3	0	0	113.9	L80 G81 I82 Q86	L80-Q84 WeakPolarHBondContact O-CB 3.47Å; L80-Q84 VanDerWaalsContact O-CG 3.3Å; L80-Q84 WeakPolarHBondContact O-CG 3.44Å; L80-Q84 PolarHBondContact O-N 2.91Å; G81-Q84 CarbonylContact O-C 3.47Å; G81-Q84 PolarHBondContact O-N 3.19Å; I82-Q84 VanDerWaalsContact C-N 3.25Å; I82-Q84 PolarHBondContact O-N 2.84Å; Q84-Q86 HydrophobicContact CB-CG 4.03Å; Q84-Q86 PolarHBondContact O-N 3.11Å
85	K	85.9	Confident	90	Very high	122 Å²	122	45.7 Å²	45.7	53%	0.53	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	33.8	-179.6	-52.7	-177.6	-178.6	-170.9	0	113.5	N48 G81 I82 Y83 S87	N48-K85 PolarHBondContact ND2-NZ 2.9Å; N48-K85 WeakPolarHBondContact OD1-CE 3.32Å; N48-K85 PolarHBondContact OD1-NZ 3.37Å; G81-K85 PolarHBondContact O-N 3.32Å; G81-K85 VanDerWaalsContact O-N 3.08Å; I82-K85 PolarHBondContact O-N 3.45Å; Y83-K85 PolarHBondContact O-N 3.08Å; K85-S87 PolarHBondContact O-N 3.36Å
86	Q	88.6	Confident	90.2	Very high	28 Å²	28	46 Å²	46	13%	0.131	23%	0.225	C	C	.	.			trans	-71.3	129.4	177.2	-61.5	-174.7	8.8	0	0	109.9	G81 Q84 W88 A89 L90	G81-Q86 PolarHBondContact O-N 3.1Å; Q84-Q86 HydrophobicContact CB-CG 4.03Å; Q84-Q86 PolarHBondContact O-N 3.11Å; Q86-W88 VanDerWaalsContact C-N 3.33Å; Q86-W88 PolarHBondContact O-N 2.94Å; Q86-W88 VanDerWaalsContact OE1-CE2 3.23Å; Q86-A89 HydrophobicContact CB-CB 4.23Å; Q86-A89 PolarHBondContact O-N 2.84Å; Q86-L90 WeakPolarHBondContact O-CG 3.41Å; Q86-L90 PolarHBondContact O-N 2.95Å
87	S	87.3	Confident	90.4	Very high	47 Å²	47	43.8 Å²	43.8	33%	0.329	22%	0.216	S	C	.	.	H	α-helix	trans	-44.8	-52.4	178.6	44.3	0	0	0	0	113.1	K85 A89 L90 Q91 E128	K85-S87 PolarHBondContact O-N 3.36Å; S87-A89 VanDerWaalsContact C-N 3.34Å; S87-A89 PolarHBondContact O-N 3.44Å; S87-L90 PolarHBondContact O-N 2.89Å; S87-Q91 PolarHBondContact O-N 2.85Å; S87-E128 PolarHBondContact OG-OE1 3.48Å
88	W	89.7	Confident	90.6	Very high	13 Å²	13	45.4 Å²	45.4	5%	0.049	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-40.6	-178.5	69.7	-95	0	0	0	111.3	I78 Q86 Q91 W92 Y123 F134	I78-W88 HydrophobicContact CG1-CZ3 4.14Å; Q86-W88 VanDerWaalsContact C-N 3.33Å; Q86-W88 PolarHBondContact O-N 2.94Å; Q86-W88 VanDerWaalsContact OE1-CE2 3.23Å; W88-Q91 WeakPolarHBondContact O-CB 3.36Å; W88-Q91 PolarHBondContact O-N 3.2Å; W88-W92 AromaticContact CE3-CD1 3.83Å; W88-W92 AromaticContact CE3-NE1 3.62Å; W88-W92 AromaticContact CZ3-NE1 3.86Å; W88-Y123 HydrophobicContact CB-CD2 4.3Å; W88-Y123 HydrophobicContact CB-CE2 3.95Å; W88-Y123 AromaticContact CD1-CD2 3.76Å; W88-Y123 AromaticContact CD2-CD2 3.67Å; W88-Y123 HydrophobicContact CD2-CD2 3.67Å; W88-Y123 HydrophobicContact CD2-CE2 4.22Å; W88-Y123 AromaticContact CE2-CD2 3.84Å; W88-Y123 HydrophobicContact CE3-CD2 4.28Å; W88-Y123 AromaticContact CG-CD2 3.66Å; W88-Y123 HydrophobicContact CG-CD2 3.66Å; W88-Y123 AromaticContact CG-CE2 3.8Å; W88-Y123 HydrophobicContact CG-CE2 3.8Å; W88-Y123 AromaticContact NE1-CD2 3.83Å; W88-F134 HydrophobicContact CZ3-CZ 4.43Å
89	A	91	Very high	90.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-71.7	-33.8	-178.1	0	0	0	0	0	112.1	I82 Q86 S87 Q91 W92 L93	I82-A89 HydrophobicContact CG1-CB 4.13Å; I82-A89 WeakPolarHBondContact CG1-O 3.42Å; Q86-A89 HydrophobicContact CB-CB 4.23Å; Q86-A89 PolarHBondContact O-N 2.84Å; S87-A89 VanDerWaalsContact C-N 3.34Å; S87-A89 PolarHBondContact O-N 3.44Å; A89-Q91 PolarHBondContact O-N 3.14Å; A89-W92 WeakPolarHBondContact O-CB 3.32Å; A89-W92 PolarHBondContact O-N 2.7Å; A89-W92 VanDerWaalsContact O-N 3.13Å; A89-L93 PolarHBondContact O-N 2.81Å
90	L	91.8	Very high	90.5	Very high	49 Å²	49	46.7 Å²	46.7	26%	0.257	24%	0.235	S	C	.	.	H	α-helix	trans	-63.6	-29.5	172.5	-66.2	176.3	0	0	0	112.5	F47 Q86 S87 W92 L93 D94	F47-L90 HydrophobicContact CD1-CD2 4.33Å; F47-L90 HydrophobicContact CE1-CD2 3.38Å; F47-L90 HydrophobicContact CZ-CD2 3.51Å; Q86-L90 WeakPolarHBondContact O-CG 3.41Å; Q86-L90 PolarHBondContact O-N 2.95Å; S87-L90 PolarHBondContact O-N 2.89Å; L90-W92 VanDerWaalsContact C-N 3.3Å; L90-W92 PolarHBondContact O-N 2.81Å; L90-L93 PolarHBondContact O-N 3.43Å; L90-D94 WeakPolarHBondContact O-CB 3.38Å; L90-D94 PolarHBondContact O-N 3.44Å
91	Q	92.2	Very high	90.6	Very high	37 Å²	37	49.1 Å²	49.1	17%	0.173	26%	0.255	C	S	.	.	H	α-helix	trans	-64.5	-34.2	172.9	-64.4	167.8	13.4	0	0	112.1	S87 W88 A89 D94 A95	S87-Q91 PolarHBondContact O-N 2.85Å; W88-Q91 WeakPolarHBondContact O-CB 3.36Å; W88-Q91 PolarHBondContact O-N 3.2Å; A89-Q91 PolarHBondContact O-N 3.14Å; Q91-D94 PolarHBondContact O-N 2.96Å; Q91-A95 WeakPolarHBondContact O-CB 3.06Å; Q91-A95 PolarHBondContact O-N 3.35Å
92	W	94.2	Very high	90.6	Very high	5 Å²	5	51.1 Å²	51.1	2%	0.019	28%	0.276	C	S	.	.	H	α-helix	trans	-66.8	-40.7	174.7	-67.5	78.8	0	0	0	111.5	I78 W88 A89 L90 A95 T96 C120 S121 F134 G136 C162 P164	I78-W92 HydrophobicContact CD1-CD2 3.66Å; I78-W92 HydrophobicContact CD1-CE3 3.41Å; I78-W92 VanDerWaalsContact CD1-CE3 3.41Å; I78-W92 HydrophobicContact CD1-CG 4.28Å; I78-W92 HydrophobicContact CD1-CH2 4.11Å; I78-W92 HydrophobicContact CD1-CZ2 4.35Å; I78-W92 HydrophobicContact CD1-CZ3 3.66Å; I78-W92 HydrophobicContact CG1-CD2 3.97Å; I78-W92 HydrophobicContact CG1-CE3 4.24Å; I78-W92 HydrophobicContact CG1-CG 4.2Å; I78-W92 HydrophobicContact CG2-CB 3.72Å; I78-W92 HydrophobicContact CG2-CG 4.02Å; W88-W92 AromaticContact CE3-CD1 3.83Å; W88-W92 AromaticContact CE3-NE1 3.62Å; W88-W92 AromaticContact CZ3-NE1 3.86Å; A89-W92 WeakPolarHBondContact O-CB 3.32Å; A89-W92 PolarHBondContact O-N 2.7Å; A89-W92 VanDerWaalsContact O-N 3.13Å; L90-W92 VanDerWaalsContact C-N 3.3Å; L90-W92 PolarHBondContact O-N 2.81Å; W92-A95 PolarHBondContact O-N 2.86Å; W92-T96 PolarHBondContact O-N 3.31Å; W92-T96 VanDerWaalsContact O-N 3.17Å; W92-C120 HydrophobicContact CD2-CB 3.93Å; W92-C120 HydrophobicContact CE3-CB 4.46Å; W92-C120 HydrophobicContact CG-CB 4.28Å; W92-C120 HydrophobicContact CZ2-CB 3.98Å; W92-S121 PolarHBondContact NE1-O 3.29Å; W92-S121 VanDerWaalsContact NE1-O 3.15Å; W92-F134 AromaticContact CH2-CD2 3.61Å; W92-F134 HydrophobicContact CH2-CD2 3.61Å; W92-F134 AromaticContact CH2-CE2 3.65Å; W92-F134 HydrophobicContact CH2-CE2 3.65Å; W92-F134 AromaticContact CZ2-CD2 3.63Å; W92-F134 HydrophobicContact CZ2-CD2 3.63Å; W92-F134 AromaticContact CZ2-CE2 3.44Å; W92-F134 HydrophobicContact CZ2-CE2 3.44Å; W92-F134 VanDerWaalsContact CZ2-CE2 3.44Å; W92-G136 VanDerWaalsContact CH2-CA 3.44Å; W92-C162 HydrophobicContact CE3-CB 4.49Å; W92-P164 HydrophobicContact CH2-CG 4.42Å; W92-P164 HydrophobicContact CZ3-CG 4.25Å
93	L	92.5	Very high	90.4	Very high	36 Å²	36	53.7 Å²	53.7	19%	0.188	29%	0.289	C	S	.	.	H	α-helix	trans	-65.9	-44.7	175.5	-175.9	46.2	0	0	0	111	F47 I82 A89 L90 A95 T96 H98	F47-L93 HydrophobicContact CE1-CD2 4.14Å; F47-L93 HydrophobicContact CE2-CD2 4.11Å; F47-L93 HydrophobicContact CE2-CG 4.32Å; F47-L93 HydrophobicContact CZ-CD2 3.33Å; F47-L93 HydrophobicContact CZ-CG 3.95Å; I82-L93 HydrophobicContact CD1-CB 3.87Å; I82-L93 HydrophobicContact CD1-CD2 4.16Å; I82-L93 HydrophobicContact CD1-CG 4.49Å; I82-L93 HydrophobicContact CG1-CB 4.21Å; I82-L93 HydrophobicContact CG1-CD2 4.36Å; I82-L93 HydrophobicContact CG2-CD2 3.65Å; A89-L93 PolarHBondContact O-N 2.81Å; L90-L93 PolarHBondContact O-N 3.43Å; L93-A95 PolarHBondContact O-N 3.49Å; L93-T96 HydrophobicContact CD1-CG2 4.35Å; L93-T96 WeakPolarHBondContact O-CG2 3.33Å; L93-T96 PolarHBondContact O-N 2.87Å; L93-H98 PolarHBondContact O-CE1 3.49Å
94	D	93	Very high	90.1	Very high	64 Å²	64	53.3 Å²	53.3	34%	0.342	30%	0.298	S	S	.	.	H	α-helix	trans	-62.2	-40.1	175.1	-176	66.2	0	0	0	113	L90 Q91 T96	L90-D94 WeakPolarHBondContact O-CB 3.38Å; L90-D94 PolarHBondContact O-N 3.44Å; Q91-D94 PolarHBondContact O-N 2.96Å; D94-T96 PolarHBondContact O-N 3.44Å
95	A	95	Very high	89.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-71.6	-28.7	-177.8	0	0	0	0	0	114	Q91 W92 L93 S113 V116 C117 C162	Q91-A95 WeakPolarHBondContact O-CB 3.06Å; Q91-A95 PolarHBondContact O-N 3.35Å; W92-A95 PolarHBondContact O-N 2.86Å; L93-A95 PolarHBondContact O-N 3.49Å; A95-S113 PolarHBondContact O-N 3.12Å; A95-V116 HydrophobicContact CB-CB 4.19Å; A95-V116 HydrophobicContact CB-CG1 3.94Å; A95-C117 HydrophobicContact CB-CB 3.95Å; A95-C162 HydrophobicContact CB-CB 4.05Å
96	T	94.8	Very high	89.8	Confident	28 Å²	28	43.9 Å²	43.9	17%	0.172	26%	0.26	C	S	.	.	S	Bend	trans	-71.6	160.3	178.1	-147.5	0	0	0	0	111.4	W92 L93 D94 H98 L161 C162	W92-T96 PolarHBondContact O-N 3.31Å; W92-T96 VanDerWaalsContact O-N 3.17Å; L93-T96 HydrophobicContact CD1-CG2 4.35Å; L93-T96 WeakPolarHBondContact O-CG2 3.33Å; L93-T96 PolarHBondContact O-N 2.87Å; D94-T96 PolarHBondContact O-N 3.44Å; T96-H98 PolarHBondContact O-N 2.9Å; T96-H98 PolarHBondContact O-ND1 2.77Å; T96-H98 VanDerWaalsContact O-ND1 3.13Å; T96-L161 WeakPolarHBondContact OG1-CA 3.5Å; T96-C162 PolarHBondContact OG1-N 3.23Å
97	A	93.4	Very high	89.8	Confident	17 Å²	17	42.6 Å²	42.6	14%	0.14	25%	0.254	C	S	.	.			trans	-65.3	136.7	-176.5	0	0	0	0	0	113.5	W110 V159 G160	A97-W110 HydrophobicContact CB-CB 3.91Å; A97-W110 WeakPolarHBondContact CB-O 3.34Å; A97-V159 HydrophobicContact CB-CG1 3.71Å; A97-G160 WeakPolarHBondContact CA-O 3.21Å; A97-G160 WeakPolarHBondContact CB-O 3.34Å; A97-G160 PolarHBondContact N-O 3.3Å
98	H	91.1	Very high	89.8	Confident	68 Å²	68	41.3 Å²	41.3	32%	0.315	24%	0.243	S	C	.	.			trans	-116.8	152.5	166.9	-62.6	90.3	0	0	0	109.8	L93 T96 P100	L93-H98 PolarHBondContact O-CE1 3.49Å; T96-H98 PolarHBondContact O-N 2.9Å; T96-H98 PolarHBondContact O-ND1 2.77Å; T96-H98 VanDerWaalsContact O-ND1 3.13Å; H98-P100 WeakPolarHBondContact O-CD 3.36Å
99	P	89.3	Confident	90	Very high	63 Å²	63	41.3 Å²	41.3	41%	0.409	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-61.3	122.9	173.3	-17.7	28.9	0	0	0	111.1	I103 W110	P99-I103 HydrophobicContact CB-CD1 4Å; P99-W110 HydrophobicContact CB-CD2 4.33Å; P99-W110 HydrophobicContact CB-CE3 4.34Å; P99-W110 HydrophobicContact CB-CH2 3.9Å; P99-W110 HydrophobicContact CB-CZ2 3.86Å; P99-W110 HydrophobicContact CB-CZ3 4.15Å; P99-W110 HydrophobicContact CG-CE3 4.11Å; P99-W110 HydrophobicContact CG-CH2 3.77Å; P99-W110 HydrophobicContact CG-CZ2 4.26Å; P99-W110 HydrophobicContact CG-CZ3 3.7Å
100	P	89.3	Confident	90.1	Very high	32 Å²	32	43.8 Å²	43.8	21%	0.208	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-76.3	163.4	174.1	33.3	-34.7	0	0	0	111.2	H98 A107 W110	H98-P100 WeakPolarHBondContact O-CD 3.36Å; P100-A107 HydrophobicContact CG-CB 3.86Å; P100-W110 VanDerWaalsContact CD-NE1 3.34Å; P100-W110 HydrophobicContact CG-CG 4.48Å
101	P	89.4	Confident	90.1	Very high	125 Å²	125	42.3 Å²	42.3	81%	0.812	25%	0.246	S	C	*	.	S	Bend	trans	-63.2	151.4	170.9	28.3	-35.1	0	0	0	111.2	A107	P101-A107 WeakPolarHBondContact O-CB 3.46Å
102	G	87.9	Confident	90.1	Very high	44 Å²	44	41.9 Å²	41.9	45%	0.454	25%	0.251	S	S	.	.			trans	85.7	27.1	174	0	0	0	0	0	115.5	L104 G105 G106 A107	G102-L104 VanDerWaalsContact C-N 3.27Å; G102-L104 PolarHBondContact O-N 3.32Å; G102-G105 CarbonylContact O-C 3.58Å; G102-G105 VanDerWaalsContact O-CA 3.22Å; G102-G105 WeakPolarHBondContact O-CA 3.38Å; G102-G105 PolarHBondContact O-N 2.95Å; G102-G106 PolarHBondContact O-N 2.99Å; G102-A107 WeakPolarHBondContact O-CB 3.32Å; G102-A107 PolarHBondContact O-N 3.06Å; G102-A107 VanDerWaalsContact O-N 3.15Å
103	I	86	Confident	90.1	Very high	79 Å²	79	43.5 Å²	43.5	41%	0.405	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-50.3	-46.6	174.8	-64.9	165.5	0	0	0	111.6	P99 G105 G106 M108 W110	P99-I103 HydrophobicContact CB-CD1 4Å; I103-G105 PolarHBondContact O-N 3.42Å; I103-G106 PolarHBondContact O-N 3.15Å; I103-M108 HydrophobicContact CG2-CE 3.97Å; I103-W110 HydrophobicContact CD1-CZ2 4.24Å; I103-W110 HydrophobicContact CG1-CZ2 4.49Å
104	L	81.3	Confident	90.1	Very high	171 Å²	171	42.1 Å²	42.1	90%	0.895	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-63.2	-26.2	175.1	-66.2	178	0	0	0	113.2	G102 G106	G102-L104 VanDerWaalsContact C-N 3.27Å; G102-L104 PolarHBondContact O-N 3.32Å; L104-G106 VanDerWaalsContact C-N 3.26Å; L104-G106 PolarHBondContact O-N 3.5Å
105	G	82.9	Confident	90.1	Very high	11 Å²	11	42.1 Å²	42.1	11%	0.113	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-80	-2	173.6	0	0	0	0	0	114.2	G102 I103 N373 L374 M375 I376	G102-G105 CarbonylContact O-C 3.58Å; G102-G105 VanDerWaalsContact O-CA 3.22Å; G102-G105 WeakPolarHBondContact O-CA 3.38Å; G102-G105 PolarHBondContact O-N 2.95Å; I103-G105 PolarHBondContact O-N 3.42Å; G105-N373 CarbonylContact O-C 3.56Å; G105-N373 WeakPolarHBondContact O-CA 3.35Å; G105-L374 PolarHBondContact O-N 3.14Å; G105-M375 WeakPolarHBondContact O-CB 3.26Å; G105-M375 PolarHBondContact O-N 3.5Å; G105-I376 PolarHBondContact O-N 3.46Å
106	G	84.3	Confident	90	Very high	4 Å²	4	43.7 Å²	43.7	4%	0.041	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.8	20.7	-179.6	0	0	0	0	0	114.7	G102 I103 L104 M108 N372	G102-G106 PolarHBondContact O-N 2.99Å; I103-G106 PolarHBondContact O-N 3.15Å; L104-G106 VanDerWaalsContact C-N 3.26Å; L104-G106 PolarHBondContact O-N 3.5Å; G106-M108 VanDerWaalsContact C-N 3.27Å; G106-M108 PolarHBondContact O-N 3.22Å; G106-N372 CarbonylContact C-O 3.51Å; G106-N372 CarbonylContact O-C 3.55Å
107	A	89.9	Confident	90	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.008	26%	0.257	C	S	.	.			trans	-74.8	77.6	176	0	0	0	0	0	111.7	P100 P101 G102 W110 N372	P100-A107 HydrophobicContact CG-CB 3.86Å; P101-A107 WeakPolarHBondContact O-CB 3.46Å; G102-A107 WeakPolarHBondContact O-CB 3.32Å; G102-A107 PolarHBondContact O-N 3.06Å; G102-A107 VanDerWaalsContact O-N 3.15Å; A107-W110 PolarHBondContact O-NE1 2.94Å; A107-N372 VanDerWaalsContact CA-O 3.31Å; A107-N372 WeakPolarHBondContact CA-O 3.48Å; A107-N372 WeakPolarHBondContact CA-OD1 3.22Å; A107-N372 HydrophobicContact CB-CB 4.03Å; A107-N372 WeakPolarHBondContact CB-O 3.34Å; A107-N372 PolarHBondContact N-O 2.93Å
108	M	87.6	Confident	90	Very high	21 Å²	21	42.9 Å²	42.9	10%	0.103	26%	0.257	C	S	.	.			trans	-101.1	-5.4	-173.9	-60.8	-84.4	78.7	0	0	113.9	I103 G106 L155 M157 S158 N372	I103-M108 HydrophobicContact CG2-CE 3.97Å; G106-M108 VanDerWaalsContact C-N 3.27Å; G106-M108 PolarHBondContact O-N 3.22Å; M108-L155 HydrophobicContact CG-CD1 4.48Å; M108-M157 HydrophobicContact CE-CE 3.45Å; M108-M157 VanDerWaalsContact CE-CE 3.45Å; M108-M157 WeakPolarHBondContact O-CA 3.22Å; M108-M157 WeakPolarHBondContact O-CG 3.2Å; M108-M157 HydrophobicContact SD-CE 3.92Å; M108-S158 PolarHBondContact O-N 3.47Å; M108-S158 VanDerWaalsContact O-N 3.12Å; M108-N372 PolarHBondContact N-OD1 3Å
109	H	91.9	Very high	90.1	Very high	13 Å²	13	47.2 Å²	47.2	6%	0.06	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	104.8	177.4	-56.9	-72.9	0	0	0	109.9	S158 K369 L370 N372 F463 P702	H109-S158 PolarHBondContact ND1-OG 2.81Å; H109-K369 PolarHBondContact CE1-O 3.14Å; H109-K369 VanDerWaalsContact CE1-O 3.23Å; H109-K369 PolarHBondContact NE2-O 3.34Å; H109-K369 VanDerWaalsContact NE2-O 3.15Å; H109-L370 WeakPolarHBondContact NE2-CA 3.34Å; H109-N372 WeakPolarHBondContact CB-OD1 3.45Å; H109-N372 PolarHBondContact N-OD1 2.66Å; H109-N372 PolarHBondContact O-ND2 3.27Å; H109-N372 PolarHBondContact O-OD1 3.27Å; H109-F463 HydrophobicContact CB-CE1 4.28Å; H109-F463 HydrophobicContact CB-CZ 4.11Å; H109-P702 HydrophobicContact CB-CB 4.29Å; H109-P702 HydrophobicContact CB-CG 3.64Å
110	W	93.5	Very high	90.3	Very high	52 Å²	52	44.2 Å²	44.2	20%	0.197	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	93.6	-177.4	-54.2	-1.3	0	0	0	107.4	A97 P99 P100 I103 A107 M157 S158 V159 G160	A97-W110 HydrophobicContact CB-CB 3.91Å; A97-W110 WeakPolarHBondContact CB-O 3.34Å; P99-W110 HydrophobicContact CB-CD2 4.33Å; P99-W110 HydrophobicContact CB-CE3 4.34Å; P99-W110 HydrophobicContact CB-CH2 3.9Å; P99-W110 HydrophobicContact CB-CZ2 3.86Å; P99-W110 HydrophobicContact CB-CZ3 4.15Å; P99-W110 HydrophobicContact CG-CE3 4.11Å; P99-W110 HydrophobicContact CG-CH2 3.77Å; P99-W110 HydrophobicContact CG-CZ2 4.26Å; P99-W110 HydrophobicContact CG-CZ3 3.7Å; P100-W110 VanDerWaalsContact CD-NE1 3.34Å; P100-W110 HydrophobicContact CG-CG 4.48Å; I103-W110 HydrophobicContact CD1-CZ2 4.24Å; I103-W110 HydrophobicContact CG1-CZ2 4.49Å; A107-W110 PolarHBondContact O-NE1 2.94Å; W110-M157 HydrophobicContact CZ2-CE 4.25Å; W110-S158 PolarHBondContact N-O 3.23Å; W110-V159 HydrophobicContact CE3-CG2 4.33Å; W110-V159 CarbonylContact O-C 3.58Å; W110-V159 WeakPolarHBondContact O-CA 3.43Å; W110-G160 PolarHBondContact O-N 2.8Å
111	V	92.4	Very high	90.4	Very high	17 Å²	17	44 Å²	44	10%	0.103	26%	0.255	C	S	.	.			trans	-83.5	-27.7	-171.5	-72.7	0	0	0	0	114.1	Y138 P462 F463 P702	V111-Y138 WeakPolarHBondContact O-CE2 3.18Å; V111-Y138 PolarHBondContact O-OH 3.44Å; V111-P462 HydrophobicContact CG1-CB 4.12Å; V111-P462 HydrophobicContact CG1-CG 4.14Å; V111-F463 HydrophobicContact CG1-CE1 3.71Å; V111-F463 HydrophobicContact CG1-CE2 3.63Å; V111-F463 HydrophobicContact CG1-CZ 3.04Å; V111-P702 HydrophobicContact CG1-CG 4.22Å
112	G	92.5	Very high	90.5	Very high	28 Å²	28	38.1 Å²	38.1	29%	0.289	22%	0.217	S	C	.	.			trans	60.8	-155	-163.5	0	0	0	0	0	111.1
113	S	94	Very high	90.5	Very high	39 Å²	39	37.7 Å²	37.7	27%	0.273	20%	0.202	S	C	.	.			trans	-112	101.1	-178	-172.7	0	0	0	0	111.4	A95 V116 C117	A95-S113 PolarHBondContact O-N 3.12Å; S113-V116 WeakPolarHBondContact OG-CB 3.48Å; S113-V116 WeakPolarHBondContact OG-CG2 3.29Å; S113-C117 WeakPolarHBondContact O-CB 3.48Å; S113-C117 PolarHBondContact O-N 3.5Å
114	Y	92.9	Very high	90.2	Very high	7 Å²	7	38.2 Å²	38.2	3%	0.027	20%	0.202	C	C	.	.	H	α-helix	trans	-56.2	-52.8	178.6	-177.5	-96.9	0	0	0	112	V116 C117 L118 Y138 H195 P462	Y114-V116 PolarHBondContact O-N 3.5Å; Y114-C117 WeakPolarHBondContact O-CB 3.33Å; Y114-C117 PolarHBondContact O-N 2.87Å; Y114-L118 HydrophobicContact CD1-CD1 3.99Å; Y114-L118 HydrophobicContact CE1-CD1 3.39Å; Y114-L118 HydrophobicContact CE1-CG 4.39Å; Y114-L118 HydrophobicContact CE2-CD1 4.46Å; Y114-L118 PolarHBondContact O-N 3.43Å; Y114-Y138 AromaticContact CD2-CD1 3.49Å; Y114-Y138 HydrophobicContact CD2-CD1 3.49Å; Y114-Y138 VanDerWaalsContact CD2-CD1 3.49Å; Y114-Y138 AromaticContact CD2-CD2 3.95Å; Y114-Y138 HydrophobicContact CD2-CD2 3.95Å; Y114-Y138 AromaticContact CD2-CE1 3.96Å; Y114-Y138 HydrophobicContact CD2-CE1 3.96Å; Y114-Y138 HydrophobicContact CD2-CE2 4.36Å; Y114-Y138 AromaticContact CD2-CG 3.49Å; Y114-Y138 HydrophobicContact CD2-CG 3.49Å; Y114-Y138 VanDerWaalsContact CD2-CG 3.49Å; Y114-Y138 AromaticContact CE2-CD1 3.78Å; Y114-Y138 HydrophobicContact CE2-CD1 3.78Å; Y114-Y138 AromaticContact CE2-CG 3.94Å; Y114-Y138 HydrophobicContact CE2-CG 3.94Å; Y114-H195 HydrophobicContact CE2-CB 4.23Å; Y114-P462 HydrophobicContact CD2-CB 4.44Å
115	D	92.4	Very high	89.7	Confident	65 Å²	65	32.5 Å²	32.5	35%	0.348	18%	0.176	S	C	.	.	H	α-helix	trans	-69.8	-32.4	-175.2	-71.9	-21.7	0	0	0	113.4	K119 Q700	D115-K119 WeakPolarHBondContact O-CD 3.37Å; D115-K119 WeakPolarHBondContact O-CG 3.34Å; D115-Q700 VanDerWaalsContact CG-NE2 3.32Å; D115-Q700 PolarHBondContact OD1-NE2 2.89Å; D115-Q700 VanDerWaalsContact OD1-NE2 3.14Å; D115-Q700 PolarHBondContact OD2-NE2 2.97Å; D115-Q700 PolarHBondContact OD2-OE1 2.89Å
116	V	93.6	Very high	88.6	Confident	33 Å²	33	38.4 Å²	38.4	20%	0.2	20%	0.204	C	C	.	.	H	α-helix	trans	-71.3	-42.9	175	178.3	0	0	0	0	109.2	A95 S113 Y114 L118 K119 C120	A95-V116 HydrophobicContact CB-CB 4.19Å; A95-V116 HydrophobicContact CB-CG1 3.94Å; S113-V116 WeakPolarHBondContact OG-CB 3.48Å; S113-V116 WeakPolarHBondContact OG-CG2 3.29Å; Y114-V116 PolarHBondContact O-N 3.5Å; V116-L118 VanDerWaalsContact C-N 3.33Å; V116-L118 PolarHBondContact O-N 3.41Å; V116-K119 CarbonylContact O-C 3.39Å; V116-K119 PolarHBondContact O-N 3.33Å; V116-C120 PolarHBondContact O-N 3.44Å; V116-C120 PolarHBondContact O-SG 2.9Å
117	C	94.9	Very high	87.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-56.4	-46.2	178.4	-177.5	0	0	0	0	112.4	A95 S113 Y114 K119 C120 G136 Y138 C162	A95-C117 HydrophobicContact CB-CB 3.95Å; S113-C117 WeakPolarHBondContact O-CB 3.48Å; S113-C117 PolarHBondContact O-N 3.5Å; Y114-C117 WeakPolarHBondContact O-CB 3.33Å; Y114-C117 PolarHBondContact O-N 2.87Å; C117-K119 PolarHBondContact O-N 3.3Å; C117-K119 VanDerWaalsContact O-N 3.16Å; C117-C120 WeakPolarHBondContact O-CB 3.31Å; C117-C120 PolarHBondContact O-N 2.78Å; C117-C120 VanDerWaalsContact O-N 3.09Å; C117-G136 VanDerWaalsContact O-CA 3.27Å; C117-G136 WeakPolarHBondContact O-CA 3.2Å; C117-Y138 HydrophobicContact CB-CD2 4.24Å; C117-C162 WeakPolarHBondContact CA-SG 3.12Å; C117-C162 HydrophobicContact CB-CB 3.79Å; C117-C162 WeakPolarHBondContact CB-SG 3.03Å; C117-C162 WeakPolarHBondContact SG-CA 3.26Å; C117-C162 WeakPolarHBondContact SG-CB 3.47Å; C117-C162 CovalentContact SG-SG 2.05Å; C117-C162 PolarHBondContact SG-SG 2.85Å
118	L	92.8	Very high	86	Confident	27 Å²	27	44.8 Å²	44.8	14%	0.141	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.4	179.2	-65.1	178.9	0	0	0	113.9	Y114 V116 F197	Y114-L118 HydrophobicContact CD1-CD1 3.99Å; Y114-L118 HydrophobicContact CE1-CD1 3.39Å; Y114-L118 HydrophobicContact CE1-CG 4.39Å; Y114-L118 HydrophobicContact CE2-CD1 4.46Å; Y114-L118 PolarHBondContact O-N 3.43Å; V116-L118 VanDerWaalsContact C-N 3.33Å; V116-L118 PolarHBondContact O-N 3.41Å; L118-F197 HydrophobicContact CB-CE1 4.16Å; L118-F197 HydrophobicContact CB-CZ 4.1Å; L118-F197 HydrophobicContact CD1-CD1 4.47Å; L118-F197 HydrophobicContact CD1-CE1 3.87Å; L118-F197 HydrophobicContact CD1-CZ 4.48Å; L118-F197 HydrophobicContact CD2-CE1 4.16Å; L118-F197 HydrophobicContact CD2-CZ 4.01Å; L118-F197 HydrophobicContact CG-CE1 4.3Å; L118-F197 HydrophobicContact CG-CZ 4.43Å
119	K	92.3	Very high	84.7	Confident	160 Å²	160	54 Å²	54	70%	0.696	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-11.6	176.9	-67.4	172.2	-174.2	167.2	0	112.8	D115 V116 C117 S121	D115-K119 WeakPolarHBondContact O-CD 3.37Å; D115-K119 WeakPolarHBondContact O-CG 3.34Å; V116-K119 CarbonylContact O-C 3.39Å; V116-K119 PolarHBondContact O-N 3.33Å; C117-K119 PolarHBondContact O-N 3.3Å; C117-K119 VanDerWaalsContact O-N 3.16Å; K119-S121 PolarHBondContact O-N 3.47Å
120	C	93.5	Very high	83.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.296	C	S	.	.			trans	-60.9	136.4	178.3	-73	0	0	0	0	110.7	W92 V116 C117 H135 G136	W92-C120 HydrophobicContact CD2-CB 3.93Å; W92-C120 HydrophobicContact CE3-CB 4.46Å; W92-C120 HydrophobicContact CG-CB 4.28Å; W92-C120 HydrophobicContact CZ2-CB 3.98Å; V116-C120 PolarHBondContact O-N 3.44Å; V116-C120 PolarHBondContact O-SG 2.9Å; C117-C120 WeakPolarHBondContact O-CB 3.31Å; C117-C120 PolarHBondContact O-N 2.78Å; C117-C120 VanDerWaalsContact O-N 3.09Å; C120-H135 WeakPolarHBondContact O-CA 3.44Å; C120-G136 PolarHBondContact O-N 3.17Å
121	S	93.1	Very high	83	Confident	28 Å²	28	62.5 Å²	62.5	20%	0.196	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.9	177.7	-63.3	0	0	0	0	109.1	W92 K119 H135	W92-S121 PolarHBondContact NE1-O 3.29Å; W92-S121 VanDerWaalsContact NE1-O 3.15Å; K119-S121 PolarHBondContact O-N 3.47Å; S121-H135 PolarHBondContact OG-ND1 2.89Å
122	G	89.8	Confident	82.6	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	151.4	-176	0	0	0	0	0	113.4	K133 F134	G122-K133 PolarHBondContact O-N 3.02Å; G122-F134 PolarHBondContact N-O 2.98Å; G122-F134 PolarHBondContact O-N 2.77Å
123	Y	87.9	Confident	82.4	Confident	35 Å²	35	68.6 Å²	68.6	14%	0.137	35%	0.345	C	S	.	.			trans	-129.7	145.8	-173.7	-54.2	-89	0	0	0	110.2	W88 E130 P132	W88-Y123 HydrophobicContact CB-CD2 4.3Å; W88-Y123 HydrophobicContact CB-CE2 3.95Å; W88-Y123 AromaticContact CD1-CD2 3.76Å; W88-Y123 AromaticContact CD2-CD2 3.67Å; W88-Y123 HydrophobicContact CD2-CD2 3.67Å; W88-Y123 HydrophobicContact CD2-CE2 4.22Å; W88-Y123 AromaticContact CE2-CD2 3.84Å; W88-Y123 HydrophobicContact CE3-CD2 4.28Å; W88-Y123 AromaticContact CG-CD2 3.66Å; W88-Y123 HydrophobicContact CG-CD2 3.66Å; W88-Y123 AromaticContact CG-CE2 3.8Å; W88-Y123 HydrophobicContact CG-CE2 3.8Å; W88-Y123 AromaticContact NE1-CD2 3.83Å; Y123-E130 VanDerWaalsContact CE1-O 3.25Å; Y123-E130 WeakPolarHBondContact CE1-O 3.3Å; Y123-P132 HydrophobicContact CE1-CB 4.13Å
124	H	81	Confident	82.3	Confident	91 Å²	91	66.9 Å²	66.9	42%	0.421	33%	0.333	S	S	.	.	S	Bend	trans	-86.8	-20.5	175.4	-77.1	76.4	0	0	0	112.6	D74 N77 K133	D74-H124 IonicContact OD1-CE1 2.66Å; D74-H124 PolarHBondContact OD1-CE1 3Å; D74-H124 IonicContact OD1-NE2 2.62Å; D74-H124 PolarHBondContact OD1-NE2 3.33Å; N77-H124 PolarHBondContact ND2-CD2 3.41Å; H124-K133 HydrophobicContact CB-CG 4.39Å; H124-K133 WeakPolarHBondContact ND1-CB 3.33Å; H124-K133 VanDerWaalsContact ND1-CG 3.31Å; H124-K133 WeakPolarHBondContact ND1-CG 3.44Å
125	S	69.9	Low	82.4	Confident	50 Å²	50	70.3 Å²	70.3	35%	0.35	35%	0.349	S	S	.	.	S	Bend	trans	-114.2	157.5	-179.1	-59.6	0	0	0	0	111.6	G127 E130	S125-G127 PolarHBondContact O-N 3.35Å; S125-E130 VanDerWaalsContact CB-OE1 3.24Å; S125-E130 WeakPolarHBondContact CB-OE1 3.44Å; S125-E130 WeakPolarHBondContact CB-OE2 3.46Å; S125-E130 PolarHBondContact OG-OE1 3.06Å; S125-E130 PolarHBondContact OG-OE2 3.33Å
126	I	61	Low	82.5	Confident	135 Å²	135	67.5 Å²	67.5	69%	0.692	34%	0.335	S	S	*	.	S	Bend	trans	-73.7	34.2	-172.9	-57.3	170.3	0	0	0	112.5
127	G	60.4	Low	82.5	Confident	31 Å²	31	66.9 Å²	66.9	32%	0.32	33%	0.332	S	S	.	.			trans	-157.2	129.4	179.1	0	0	0	0	0	114.7	S125 K129 E130	S125-G127 PolarHBondContact O-N 3.35Å; G127-K129 PolarHBondContact O-N 3.15Å; G127-E130 PolarHBondContact O-N 3.47Å
128	E	58.8	Low	82.5	Confident	109 Å²	109	67 Å²	67	51%	0.509	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-2.2	175.4	-63.8	-177.6	166.7	0	0	114.5	S87 E130	S87-E128 PolarHBondContact OG-OE1 3.48Å; E128-E130 VanDerWaalsContact C-N 3.29Å
129	K	60	Low	82.6	Confident	213 Å²	213	65.7 Å²	65.7	93%	0.926	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-10.6	-179.2	-68.5	-175.1	-179.4	177	0	113.4	G127	G127-K129 PolarHBondContact O-N 3.15Å
130	E	69.5	Low	82.7	Confident	83 Å²	83	58.4 Å²	58.4	39%	0.388	30%	0.295	S	S	.	.	S	Bend	trans	-87	158.9	174.3	-69.5	-175.9	-173.4	0	0	111.7	Y123 S125 G127 E128	Y123-E130 VanDerWaalsContact CE1-O 3.25Å; Y123-E130 WeakPolarHBondContact CE1-O 3.3Å; S125-E130 VanDerWaalsContact CB-OE1 3.24Å; S125-E130 WeakPolarHBondContact CB-OE1 3.44Å; S125-E130 WeakPolarHBondContact CB-OE2 3.46Å; S125-E130 PolarHBondContact OG-OE1 3.06Å; S125-E130 PolarHBondContact OG-OE2 3.33Å; G127-E130 PolarHBondContact O-N 3.47Å; E128-E130 VanDerWaalsContact C-N 3.29Å
131	E	80.4	Confident	82.7	Confident	161 Å²	161	58.4 Å²	58.4	75%	0.752	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-63.3	141.3	167.5	-69.4	-177.6	168.1	0	0	110.2	K133	E131-K133 PolarHBondContact O-N 3.23Å
132	P	84.8	Confident	82.6	Confident	54 Å²	54	57.8 Å²	57.8	35%	0.351	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-59.6	133.3	176.6	27.7	-35	0	0	0	110.2	Y123	Y123-P132 HydrophobicContact CE1-CB 4.13Å
133	K	87.9	Confident	82.6	Confident	120 Å²	120	58.5 Å²	58.5	52%	0.522	29%	0.293	S	S	.	.			trans	-93.3	-28.2	-174.7	-65.6	-68	-176.1	-171	0	113.2	G122 H124 E131	G122-K133 PolarHBondContact O-N 3.02Å; H124-K133 HydrophobicContact CB-CG 4.39Å; H124-K133 WeakPolarHBondContact ND1-CB 3.33Å; H124-K133 VanDerWaalsContact ND1-CG 3.31Å; H124-K133 WeakPolarHBondContact ND1-CG 3.44Å; E131-K133 PolarHBondContact O-N 3.23Å
134	F	92.2	Very high	82.4	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.009	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	159.3	176.3	58.2	-90.4	0	0	0	110	D74 I78 W88 W92 G122 P164 T166	D74-F134 HydrophobicContact CB-CD1 3.98Å; D74-F134 HydrophobicContact CB-CD2 4.25Å; D74-F134 HydrophobicContact CB-CE1 3.91Å; D74-F134 HydrophobicContact CB-CE2 4.16Å; D74-F134 HydrophobicContact CB-CG 4.15Å; D74-F134 HydrophobicContact CB-CZ 3.99Å; D74-F134 WeakPolarHBondContact OD1-CD1 3.35Å; D74-F134 WeakPolarHBondContact OD1-CE1 3.46Å; I78-F134 HydrophobicContact CD1-CE2 3.82Å; I78-F134 HydrophobicContact CD1-CZ 4.35Å; I78-F134 HydrophobicContact CG1-CE2 3.84Å; I78-F134 HydrophobicContact CG1-CZ 3.95Å; W88-F134 HydrophobicContact CZ3-CZ 4.43Å; W92-F134 AromaticContact CH2-CD2 3.61Å; W92-F134 HydrophobicContact CH2-CD2 3.61Å; W92-F134 AromaticContact CH2-CE2 3.65Å; W92-F134 HydrophobicContact CH2-CE2 3.65Å; W92-F134 AromaticContact CZ2-CD2 3.63Å; W92-F134 HydrophobicContact CZ2-CD2 3.63Å; W92-F134 AromaticContact CZ2-CE2 3.44Å; W92-F134 HydrophobicContact CZ2-CE2 3.44Å; W92-F134 VanDerWaalsContact CZ2-CE2 3.44Å; G122-F134 PolarHBondContact N-O 2.98Å; G122-F134 PolarHBondContact O-N 2.77Å; F134-P164 HydrophobicContact CD2-CB 3.9Å; F134-P164 HydrophobicContact CD2-CG 4.17Å; F134-P164 HydrophobicContact CE2-CB 4.4Å; F134-P164 HydrophobicContact CE2-CG 4.17Å; F134-T166 HydrophobicContact CB-CG2 4.24Å
135	H	93.4	Very high	82	Confident	80 Å²	80	56.8 Å²	56.8	37%	0.37	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	159.6	-178.2	-66.9	-71.9	0	0	0	110.9	C120 S121 P164 N165	C120-H135 WeakPolarHBondContact O-CA 3.44Å; S121-H135 PolarHBondContact OG-ND1 2.89Å; H135-P164 CarbonylContact O-C 3.58Å; H135-N165 PolarHBondContact N-OD1 3.18Å; H135-N165 WeakPolarHBondContact O-CB 3.37Å; H135-N165 PolarHBondContact O-N 3.02Å; H135-N165 PolarHBondContact O-OD1 3.41Å
136	G	94.4	Very high	81.4	Confident	5 Å²	5	61 Å²	61	5%	0.052	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	142.4	177.1	0	0	0	0	0	113.2	W92 C117 C120	W92-G136 VanDerWaalsContact CH2-CA 3.44Å; C117-G136 VanDerWaalsContact O-CA 3.27Å; C117-G136 WeakPolarHBondContact O-CA 3.2Å; C120-G136 PolarHBondContact O-N 3.17Å
137	S	94.2	Very high	80.8	Confident	20 Å²	20	57.2 Å²	57.2	14%	0.14	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	123.9	176.8	-179.1	0	0	0	0	107.7	M163	S137-M163 WeakPolarHBondContact CA-O 3.37Å; S137-M163 WeakPolarHBondContact CB-O 3.36Å; S137-M163 PolarHBondContact N-O 3.24Å; S137-M163 PolarHBondContact O-N 3.24Å
138	Y	95.1	Very high	79.7	Confident	2 Å²	2	62 Å²	62	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	124.9	-174.6	-178.6	-89.8	0	0	0	110.6	V111 Y114 C117 T140 G160 H195 P462	V111-Y138 WeakPolarHBondContact O-CE2 3.18Å; V111-Y138 PolarHBondContact O-OH 3.44Å; Y114-Y138 AromaticContact CD2-CD1 3.49Å; Y114-Y138 HydrophobicContact CD2-CD1 3.49Å; Y114-Y138 VanDerWaalsContact CD2-CD1 3.49Å; Y114-Y138 AromaticContact CD2-CD2 3.95Å; Y114-Y138 HydrophobicContact CD2-CD2 3.95Å; Y114-Y138 AromaticContact CD2-CE1 3.96Å; Y114-Y138 HydrophobicContact CD2-CE1 3.96Å; Y114-Y138 HydrophobicContact CD2-CE2 4.36Å; Y114-Y138 AromaticContact CD2-CG 3.49Å; Y114-Y138 HydrophobicContact CD2-CG 3.49Å; Y114-Y138 VanDerWaalsContact CD2-CG 3.49Å; Y114-Y138 AromaticContact CE2-CD1 3.78Å; Y114-Y138 HydrophobicContact CE2-CD1 3.78Å; Y114-Y138 AromaticContact CE2-CG 3.94Å; Y114-Y138 HydrophobicContact CE2-CG 3.94Å; C117-Y138 HydrophobicContact CB-CD2 4.24Å; Y138-T140 VanDerWaalsContact CE1-OG1 3.27Å; Y138-T140 WeakPolarHBondContact CE1-OG1 3.49Å; Y138-G160 VanDerWaalsContact OH-CA 3.23Å; Y138-G160 WeakPolarHBondContact OH-CA 3.48Å; Y138-H195 HydrophobicContact CD1-CB 4.5Å; Y138-H195 AromaticContact CD1-CD2 3.49Å; Y138-H195 VanDerWaalsContact CD1-CD2 3.49Å; Y138-H195 WeakPolarHBondContact CD1-CD2 3.29Å; Y138-H195 AromaticContact CE1-CD2 3.97Å; Y138-H195 WeakPolarHBondContact O-CB 3.26Å; Y138-H195 PolarHBondContact O-CD2 3.4Å; Y138-H195 PolarHBondContact O-N 3.31Å; Y138-P462 HydrophobicContact CE1-CB 3.56Å; Y138-P462 VanDerWaalsContact OH-CB 3.24Å; Y138-P462 WeakPolarHBondContact OH-CB 3.3Å
139	C	95.1	Very high	78.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.6	179.8	-53.7	0	0	0	0	111.9	M141 G160 L161 V172 F193 C194	C139-M141 HydrophobicContact CB-CE 3.69Å; C139-G160 CarbonylContact O-C 3.46Å; C139-G160 WeakPolarHBondContact O-CA 3.1Å; C139-L161 PolarHBondContact N-O 3.5Å; C139-L161 PolarHBondContact O-N 2.91Å; C139-V172 HydrophobicContact CB-CG1 4.25Å; C139-F193 CarbonylContact C-O 3.45Å; C139-F193 WeakPolarHBondContact CA-O 3.35Å; C139-C194 HydrophobicContact CB-CB 4.02Å; C139-C194 WeakPolarHBondContact CB-SG 3.28Å; C139-C194 WeakPolarHBondContact SG-CB 3.35Å; C139-C194 CovalentContact SG-SG 2.04Å; C139-C194 PolarHBondContact SG-SG 3.24Å
140	T	94	Very high	77.7	Confident	8 Å²	8	55.5 Å²	55.5	5%	0.049	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	121.7	175.8	-56.7	0	0	0	0	109.6	Y138 V142 S192 F193 H195 P462	Y138-T140 VanDerWaalsContact CE1-OG1 3.27Å; Y138-T140 WeakPolarHBondContact CE1-OG1 3.49Å; T140-V142 HydrophobicContact CG2-CG2 4.23Å; T140-S192 CarbonylContact O-C 3.44Å; T140-S192 WeakPolarHBondContact O-CA 3.46Å; T140-F193 PolarHBondContact N-O 3.19Å; T140-F193 PolarHBondContact O-N 2.78Å; T140-H195 PolarHBondContact OG1-CD2 2.81Å; T140-H195 PolarHBondContact OG1-NE2 3.38Å; T140-P462 PolarHBondContact OG1-O 3.18Å
141	M	93.2	Very high	76.6	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.1	176.4	-61.7	-63.3	125.2	0	0	109.2	C139 F143 S158 V159 L161 V172 I176 L187	C139-M141 HydrophobicContact CB-CE 3.69Å; M141-F143 HydrophobicContact CB-CE2 3.94Å; M141-F143 HydrophobicContact CB-CZ 4.05Å; M141-S158 CarbonylContact O-C 3.58Å; M141-S158 VanDerWaalsContact O-CA 3.32Å; M141-S158 WeakPolarHBondContact O-CA 3.42Å; M141-V159 PolarHBondContact N-O 2.89Å; M141-V159 PolarHBondContact O-N 3.3Å; M141-L161 HydrophobicContact CG-CD1 3.63Å; M141-L161 HydrophobicContact CG-CG 4.37Å; M141-V172 HydrophobicContact CE-CB 4.32Å; M141-V172 HydrophobicContact CE-CG1 3.48Å; M141-V172 VanDerWaalsContact CE-CG1 3.48Å; M141-V172 HydrophobicContact SD-CG1 4.14Å; M141-I176 HydrophobicContact CB-CG2 4.41Å; M141-I176 HydrophobicContact CG-CG1 4.17Å; M141-I176 HydrophobicContact CG-CG2 4.16Å; M141-I176 HydrophobicContact SD-CB 4.36Å; M141-I176 HydrophobicContact SD-CG1 4.27Å; M141-I176 HydrophobicContact SD-CG2 4.39Å; M141-L187 HydrophobicContact CB-CD1 4.06Å; M141-L187 HydrophobicContact SD-CD1 4.22Å
142	V	91.4	Very high	75.1	Confident	14 Å²	14	50.4 Å²	50.4	9%	0.085	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130	-178.7	-178.4	0	0	0	0	109.2	T140 R156 M157 N188 E191 S192	T140-V142 HydrophobicContact CG2-CG2 4.23Å; V142-R156 HydrophobicContact CG1-CB 4.23Å; V142-R156 HydrophobicContact CG1-CG 4.47Å; V142-M157 CarbonylContact C-O 3.56Å; V142-M157 WeakPolarHBondContact CA-O 3.48Å; V142-N188 HydrophobicContact CB-CB 4.33Å; V142-N188 HydrophobicContact CG1-CB 4.31Å; V142-N188 WeakPolarHBondContact O-CB 3.36Å; V142-N188 PolarHBondContact O-N 3.04Å; V142-E191 HydrophobicContact CB-CB 4.14Å; V142-E191 HydrophobicContact CG1-CB 4.46Å; V142-E191 HydrophobicContact CG2-CB 4.08Å; V142-S192 PolarHBondContact N-OG 3.47Å; V142-S192 PolarHBondContact O-OG 3.28Å
143	F	89.5	Confident	73.4	Confident	15 Å²	15	52.9 Å²	52.9	7%	0.066	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.9	178.5	-56.4	-84.9	0	0	0	110.4	M141 R156 M157 V159 I176 A180 L185 R186 L187	M141-F143 HydrophobicContact CB-CE2 3.94Å; M141-F143 HydrophobicContact CB-CZ 4.05Å; F143-R156 WeakPolarHBondContact O-CA 3.5Å; F143-M157 HydrophobicContact CB-CB 4.32Å; F143-M157 HydrophobicContact CD2-CG 4.35Å; F143-M157 PolarHBondContact N-O 3.15Å; F143-M157 PolarHBondContact O-N 2.82Å; F143-V159 HydrophobicContact CD2-CG2 4.2Å; F143-V159 HydrophobicContact CE2-CB 4.08Å; F143-V159 HydrophobicContact CE2-CG2 3.76Å; F143-I176 HydrophobicContact CE1-CG2 3.93Å; F143-I176 HydrophobicContact CZ-CG2 3.63Å; F143-A180 HydrophobicContact CD1-CB 4.27Å; F143-A180 HydrophobicContact CE1-CB 3.69Å; F143-L185 HydrophobicContact CD1-CB 3.92Å; F143-L185 HydrophobicContact CD1-CD1 4.43Å; F143-L185 HydrophobicContact CG-CB 4.49Å; F143-R186 CarbonylContact C-O 3.52Å; F143-R186 VanDerWaalsContact CA-O 3.28Å; F143-R186 WeakPolarHBondContact CA-O 3.29Å; F143-L187 HydrophobicContact CD1-CB 4.32Å; F143-L187 HydrophobicContact CD1-CD1 3.99Å; F143-L187 HydrophobicContact CE1-CB 4.25Å; F143-L187 HydrophobicContact CE1-CD1 3.56Å; F143-L187 HydrophobicContact CZ-CD1 3.95Å
144	D	85	Confident	72.1	Confident	42 Å²	42	52.4 Å²	52.4	23%	0.225	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	123	173.7	-62.2	-36	0	0	0	109	R186 N188	D144-R186 PolarHBondContact N-O 2.99Å; D144-N188 PolarHBondContact OD1-ND2 3.2Å; D144-N188 VanDerWaalsContact OD1-ND2 3.13Å
145	M	72.7	Confident	71.1	Confident	48 Å²	48	53.1 Å²	53.1	24%	0.236	31%	0.31	C	S	.	.			trans	-92.8	103.1	176.2	-59.5	-66.7	-73.1	0	0	109.5	T147 L155 M157 L185	M145-T147 PolarHBondContact O-N 3.21Å; M145-L155 HydrophobicContact CB-CB 4.18Å; M145-L155 HydrophobicContact CB-CD2 4.19Å; M145-L155 HydrophobicContact CB-CG 4.24Å; M145-L155 WeakPolarHBondContact CB-O 3.3Å; M145-L155 HydrophobicContact CG-CD2 4.33Å; M145-L155 HydrophobicContact CG-CG 4.29Å; M145-L155 PolarHBondContact N-O 3.49Å; M145-M157 HydrophobicContact CG-CB 4.35Å; M145-M157 HydrophobicContact SD-CB 4.21Å; M145-L185 HydrophobicContact SD-CD2 3.97Å
146	N	57.1	Low	70.4	Confident	138 Å²	138	53.1 Å²	53.1	74%	0.738	31%	0.307	S	S	*	.			trans	-78.2	63	169.6	-77	2.4	0	0	0	110.2
147	T	48.5	Very low	70	Confident	56 Å²	56	53.8 Å²	53.8	34%	0.344	31%	0.309	S	S	.	.			trans	-93	125.1	172.6	53.6	0	0	0	0	110.4	M145 I149	M145-T147 PolarHBondContact O-N 3.21Å; T147-I149 HydrophobicContact CG2-CD1 4.48Å; T147-I149 PolarHBondContact O-N 3.08Å
148	S	36.9	Very low	69.9	Low	131 Å²	131	53.2 Å²	53.2	92%	0.916	31%	0.305	S	S	*	.			trans	-63	15.6	169.4	-45.3	0	0	0	0	114.3	A150	S148-A150 PolarHBondContact O-N 3.13Å
149	I	41.8	Very low	69.8	Low	81 Å²	81	54.2 Å²	54.2	42%	0.415	31%	0.311	S	S	.	.			trans	-73	96.3	171.9	-57.7	168.2	0	0	0	105.6	T147 I151 I152 M375	T147-I149 HydrophobicContact CG2-CD1 4.48Å; T147-I149 PolarHBondContact O-N 3.08Å; I149-I151 HydrophobicContact CG2-CB 4.29Å; I149-I151 HydrophobicContact CG2-CD1 4.28Å; I149-I151 HydrophobicContact CG2-CG1 4.18Å; I149-I151 PolarHBondContact O-N 3.16Å; I149-I152 PolarHBondContact O-N 3.29Å; I149-M375 HydrophobicContact CD1-CE 4.36Å
150	A	35.2	Very low	69.8	Low	105 Å²	105	54.2 Å²	54.2	87%	0.868	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-6.5	-174.7	0	0	0	0	0	115.8	S148	S148-A150 PolarHBondContact O-N 3.13Å
151	I	45.3	Very low	69.9	Low	125 Å²	125	55 Å²	55	64%	0.641	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-28	-173.9	-52.1	176.4	0	0	0	111.8	I149	I149-I151 HydrophobicContact CG2-CB 4.29Å; I149-I151 HydrophobicContact CG2-CD1 4.28Å; I149-I151 HydrophobicContact CG2-CG1 4.18Å; I149-I151 PolarHBondContact O-N 3.16Å
152	I	49.3	Very low	70	Confident	12 Å²	12	55.5 Å²	55.5	6%	0.062	32%	0.318	C	S	.	.			trans	-142.9	98.8	-168.2	-42.4	-174.7	0	0	0	112.8	I149 E154 L155 Y368 L374	I149-I152 PolarHBondContact O-N 3.29Å; I152-E154 PolarHBondContact O-N 3.23Å; I152-E154 VanDerWaalsContact O-N 3.12Å; I152-L155 HydrophobicContact CG2-CB 4.4Å; I152-Y368 VanDerWaalsContact CB-OH 3.27Å; I152-Y368 WeakPolarHBondContact CB-OH 3.45Å; I152-Y368 HydrophobicContact CD1-CE2 4.48Å; I152-Y368 WeakPolarHBondContact CD1-OH 3.45Å; I152-Y368 WeakPolarHBondContact CG1-OH 3.37Å; I152-Y368 HydrophobicContact CG2-CE1 3.56Å; I152-Y368 WeakPolarHBondContact CG2-OH 3.39Å; I152-L374 HydrophobicContact CD1-CD1 4.49Å; I152-L374 HydrophobicContact CD1-CD2 3.78Å; I152-L374 HydrophobicContact CD1-CG 3.95Å
153	P	49.4	Very low	70.2	Confident	107 Å²	107	56 Å²	56	70%	0.695	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-1.8	-175.6	24.9	-31.6	0	0	0	116
154	E	60.7	Low	70.4	Confident	109 Å²	109	55.3 Å²	55.3	51%	0.509	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.6	35.3	-173.3	-63.8	173.8	-168.5	0	0	112.9	I152 R156 K369	I152-E154 PolarHBondContact O-N 3.23Å; I152-E154 VanDerWaalsContact O-N 3.12Å; E154-R156 PolarHBondContact O-N 3.33Å; E154-K369 IonicContact OE2-NZ 3.26Å; E154-K369 PolarHBondContact OE2-NZ 2.88Å; E154-K369 VanDerWaalsContact OE2-NZ 3.11Å
155	L	70	Confident	70.8	Confident	17 Å²	17	57.3 Å²	57.3	9%	0.089	33%	0.328	C	S	.	.			trans	-65.3	124.3	175.6	-171.5	70.5	0	0	0	109.7	M108 M145 I152 L374	M108-L155 HydrophobicContact CG-CD1 4.48Å; M145-L155 HydrophobicContact CB-CB 4.18Å; M145-L155 HydrophobicContact CB-CD2 4.19Å; M145-L155 HydrophobicContact CB-CG 4.24Å; M145-L155 WeakPolarHBondContact CB-O 3.3Å; M145-L155 HydrophobicContact CG-CD2 4.33Å; M145-L155 HydrophobicContact CG-CG 4.29Å; M145-L155 PolarHBondContact N-O 3.49Å; I152-L155 HydrophobicContact CG2-CB 4.4Å; L155-L374 HydrophobicContact CD1-CD2 3.39Å
156	R	79.8	Confident	71.7	Confident	81 Å²	81	57.3 Å²	57.3	31%	0.306	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.6	178.3	-66.7	176.8	-179.6	179.7	-6.6	109.5	V142 F143 E154 E191	V142-R156 HydrophobicContact CG1-CB 4.23Å; V142-R156 HydrophobicContact CG1-CG 4.47Å; F143-R156 WeakPolarHBondContact O-CA 3.5Å; E154-R156 PolarHBondContact O-N 3.33Å; R156-E191 IonicContact CZ-OE1 2.65Å; R156-E191 VanDerWaalsContact CZ-OE1 3.27Å; R156-E191 IonicContact CZ-OE2 2.69Å; R156-E191 IonicContact NE-OE2 3.08Å; R156-E191 IonicContact NH1-OE1 3.97Å; R156-E191 PolarHBondContact NH1-OE1 3.21Å; R156-E191 IonicContact NH1-OE2 3.62Å; R156-E191 PolarHBondContact NH1-OE2 3.4Å; R156-E191 IonicContact NH2-OE1 3.71Å; R156-E191 PolarHBondContact NH2-OE1 3.16Å; R156-E191 IonicContact NH2-OE2 2.72Å
157	M	86.7	Confident	73.4	Confident	19 Å²	19	51.2 Å²	51.2	9%	0.094	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137.6	169.2	171.5	179.6	-79.3	0	0	108	M108 W110 V142 F143 M145 V159	M108-M157 HydrophobicContact CE-CE 3.45Å; M108-M157 VanDerWaalsContact CE-CE 3.45Å; M108-M157 WeakPolarHBondContact O-CA 3.22Å; M108-M157 WeakPolarHBondContact O-CG 3.2Å; M108-M157 HydrophobicContact SD-CE 3.92Å; W110-M157 HydrophobicContact CZ2-CE 4.25Å; V142-M157 CarbonylContact C-O 3.56Å; V142-M157 WeakPolarHBondContact CA-O 3.48Å; F143-M157 HydrophobicContact CB-CB 4.32Å; F143-M157 HydrophobicContact CD2-CG 4.35Å; F143-M157 PolarHBondContact N-O 3.15Å; F143-M157 PolarHBondContact O-N 2.82Å; M145-M157 HydrophobicContact CG-CB 4.35Å; M145-M157 HydrophobicContact SD-CB 4.21Å; M157-V159 HydrophobicContact CG-CG2 4.24Å; M157-V159 HydrophobicContact SD-CG2 4.46Å
158	S	90.7	Very high	75.4	Confident	8 Å²	8	51.9 Å²	51.9	6%	0.056	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.4	174.6	67.3	0	0	0	0	110.5	M108 H109 W110 M141	M108-S158 PolarHBondContact O-N 3.47Å; M108-S158 VanDerWaalsContact O-N 3.12Å; H109-S158 PolarHBondContact ND1-OG 2.81Å; W110-S158 PolarHBondContact N-O 3.23Å; M141-S158 CarbonylContact O-C 3.58Å; M141-S158 VanDerWaalsContact O-CA 3.32Å; M141-S158 WeakPolarHBondContact O-CA 3.42Å
159	V	93.3	Very high	77.9	Confident	22 Å²	22	47.2 Å²	47.2	13%	0.133	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	122.4	-179.4	-177.4	0	0	0	0	109.2	A97 W110 M141 F143 M157 L161	A97-V159 HydrophobicContact CB-CG1 3.71Å; W110-V159 HydrophobicContact CE3-CG2 4.33Å; W110-V159 CarbonylContact O-C 3.58Å; W110-V159 WeakPolarHBondContact O-CA 3.43Å; M141-V159 PolarHBondContact N-O 2.89Å; M141-V159 PolarHBondContact O-N 3.3Å; F143-V159 HydrophobicContact CD2-CG2 4.2Å; F143-V159 HydrophobicContact CE2-CB 4.08Å; F143-V159 HydrophobicContact CE2-CG2 3.76Å; M157-V159 HydrophobicContact CG-CG2 4.24Å; M157-V159 HydrophobicContact SD-CG2 4.46Å; V159-L161 HydrophobicContact CG1-CD2 4.04Å; V159-L161 HydrophobicContact CG1-CG 4.42Å
160	G	95.4	Very high	80.2	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	130.4	172.2	0	0	0	0	0	111.4	A97 W110 Y138 C139	A97-G160 WeakPolarHBondContact CA-O 3.21Å; A97-G160 WeakPolarHBondContact CB-O 3.34Å; A97-G160 PolarHBondContact N-O 3.3Å; W110-G160 PolarHBondContact O-N 2.8Å; Y138-G160 VanDerWaalsContact OH-CA 3.23Å; Y138-G160 WeakPolarHBondContact OH-CA 3.48Å; C139-G160 CarbonylContact O-C 3.46Å; C139-G160 WeakPolarHBondContact O-CA 3.1Å
161	L	95.3	Very high	82.8	Confident	23 Å²	23	47 Å²	47	12%	0.12	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.9	179.5	-62.7	175.3	0	0	0	109.4	T96 C139 M141 V159 M163 I176	T96-L161 WeakPolarHBondContact OG1-CA 3.5Å; C139-L161 PolarHBondContact N-O 3.5Å; C139-L161 PolarHBondContact O-N 2.91Å; M141-L161 HydrophobicContact CG-CD1 3.63Å; M141-L161 HydrophobicContact CG-CG 4.37Å; V159-L161 HydrophobicContact CG1-CD2 4.04Å; V159-L161 HydrophobicContact CG1-CG 4.42Å; L161-M163 HydrophobicContact CB-CE 4.03Å; L161-M163 HydrophobicContact CB-CG 4.27Å; L161-M163 HydrophobicContact CD1-CE 3.83Å; L161-M163 HydrophobicContact CG-CE 4.45Å; L161-I176 HydrophobicContact CD1-CD1 3.39Å; L161-I176 HydrophobicContact CD1-CG1 3.66Å
162	C	96.1	Very high	84.9	Confident	11 Å²	11	41.1 Å²	41.1	7%	0.074	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	107.9	170.3	-162.8	0	0	0	0	110.2	W92 A95 T96 C117	W92-C162 HydrophobicContact CE3-CB 4.49Å; A95-C162 HydrophobicContact CB-CB 4.05Å; T96-C162 PolarHBondContact OG1-N 3.23Å; C117-C162 WeakPolarHBondContact CA-SG 3.12Å; C117-C162 HydrophobicContact CB-CB 3.79Å; C117-C162 WeakPolarHBondContact CB-SG 3.03Å; C117-C162 WeakPolarHBondContact SG-CA 3.26Å; C117-C162 WeakPolarHBondContact SG-CB 3.47Å; C117-C162 CovalentContact SG-SG 2.05Å; C117-C162 PolarHBondContact SG-SG 2.85Å
163	M	95.1	Very high	87	Confident	24 Å²	24	42.9 Å²	42.9	12%	0.118	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	152.1	-176.1	-69.5	-69.4	174.2	0	0	110.8	I75 S137 L161 C167 V172	I75-M163 HydrophobicContact CD1-SD 4.07Å; I75-M163 HydrophobicContact CG1-SD 4.41Å; S137-M163 WeakPolarHBondContact CA-O 3.37Å; S137-M163 WeakPolarHBondContact CB-O 3.36Å; S137-M163 PolarHBondContact N-O 3.24Å; S137-M163 PolarHBondContact O-N 3.24Å; L161-M163 HydrophobicContact CB-CE 4.03Å; L161-M163 HydrophobicContact CB-CG 4.27Å; L161-M163 HydrophobicContact CD1-CE 3.83Å; L161-M163 HydrophobicContact CG-CE 4.45Å; M163-C167 HydrophobicContact CB-CB 4.47Å; M163-V172 HydrophobicContact CB-CG2 4.25Å; M163-V172 HydrophobicContact CE-CG1 4.29Å; M163-V172 HydrophobicContact CG-CG1 4.14Å; M163-V172 HydrophobicContact CG-CG2 3.92Å; M163-V172 HydrophobicContact SD-CG2 4.48Å
164	P	94.9	Very high	88.8	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	143.4	171.5	-27.1	34.7	0	0	0	112.1	D74 I75 I78 W92 F134 H135 T166 C167	D74-P164 HydrophobicContact CB-CB 3.84Å; D74-P164 HydrophobicContact CB-CG 3.64Å; I75-P164 HydrophobicContact CG1-CG 4.12Å; I78-P164 HydrophobicContact CD1-CG 3.7Å; W92-P164 HydrophobicContact CH2-CG 4.42Å; W92-P164 HydrophobicContact CZ3-CG 4.25Å; F134-P164 HydrophobicContact CD2-CB 3.9Å; F134-P164 HydrophobicContact CD2-CG 4.17Å; F134-P164 HydrophobicContact CE2-CB 4.4Å; F134-P164 HydrophobicContact CE2-CG 4.17Å; H135-P164 CarbonylContact O-C 3.58Å; P164-T166 VanDerWaalsContact CB-OG1 3.3Å; P164-T166 WeakPolarHBondContact CB-OG1 3.48Å; P164-T166 PolarHBondContact O-N 3.44Å; P164-T166 VanDerWaalsContact O-N 3.16Å; P164-C167 VanDerWaalsContact O-CB 3.23Å; P164-C167 WeakPolarHBondContact O-CB 3.23Å; P164-C167 PolarHBondContact O-N 3.13Å
165	N	93.2	Very high	90.1	Very high	84 Å²	84	36.4 Å²	36.4	45%	0.449	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-11.9	173	67.9	-25	0	0	0	113.5	H135 C167	H135-N165 PolarHBondContact N-OD1 3.18Å; H135-N165 WeakPolarHBondContact O-CB 3.37Å; H135-N165 PolarHBondContact O-N 3.02Å; H135-N165 PolarHBondContact O-OD1 3.41Å; N165-C167 VanDerWaalsContact C-N 3.25Å
166	T	91.4	Very high	91	Very high	49 Å²	49	36.8 Å²	36.8	30%	0.301	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-16.1	168.5	55.3	0	0	0	0	112.9	D74 F134 P164	D74-T166 VanDerWaalsContact OD2-CB 3.29Å; D74-T166 WeakPolarHBondContact OD2-CB 3.42Å; D74-T166 WeakPolarHBondContact OD2-CG2 3.43Å; D74-T166 PolarHBondContact OD2-OG1 2.92Å; F134-T166 HydrophobicContact CB-CG2 4.24Å; P164-T166 VanDerWaalsContact CB-OG1 3.3Å; P164-T166 WeakPolarHBondContact CB-OG1 3.48Å; P164-T166 PolarHBondContact O-N 3.44Å; P164-T166 VanDerWaalsContact O-N 3.16Å
167	C	91.9	Very high	91.4	Very high	10 Å²	10	36.1 Å²	36.1	7%	0.068	20%	0.197	C	C	.	.	S	Bend	trans	-83.2	132.8	176.2	-61.5	0	0	0	0	112.1	C71 M163 P164 N165 V172	C71-C167 HydrophobicContact CB-CB 3.86Å; C71-C167 WeakPolarHBondContact CB-SG 3.39Å; C71-C167 VanDerWaalsContact SG-CA 3.53Å; C71-C167 WeakPolarHBondContact SG-CB 3.37Å; C71-C167 CovalentContact SG-SG 2.03Å; C71-C167 PolarHBondContact SG-SG 2.96Å; M163-C167 HydrophobicContact CB-CB 4.47Å; P164-C167 VanDerWaalsContact O-CB 3.23Å; P164-C167 WeakPolarHBondContact O-CB 3.23Å; P164-C167 PolarHBondContact O-N 3.13Å; N165-C167 VanDerWaalsContact C-N 3.25Å; C167-V172 HydrophobicContact CB-CG2 3.81Å
168	T	90.1	Very high	91.2	Very high	70 Å²	70	37.9 Å²	37.9	43%	0.429	21%	0.208	S	C	.	.			trans	-84.7	154.9	170.2	61.7	0	0	0	0	111.3	E170 E171 V172	T168-E170 PolarHBondContact O-N 3.13Å; T168-E170 VanDerWaalsContact O-N 3.12Å; T168-E171 PolarHBondContact N-OE2 2.93Å; T168-E171 PolarHBondContact O-N 2.94Å; T168-E171 VanDerWaalsContact OG1-CG 3.27Å; T168-E171 WeakPolarHBondContact OG1-CG 3.41Å; T168-E171 PolarHBondContact OG1-N 3.37Å; T168-E171 PolarHBondContact OG1-OE2 3.41Å; T168-V172 WeakPolarHBondContact O-CG2 3.32Å; T168-V172 PolarHBondContact O-N 3.5Å
169	S	89.9	Confident	90.6	Very high	33 Å²	33	39.5 Å²	39.5	23%	0.231	22%	0.218	C	C	.	.	H	α-helix	trans	-54.9	-31.6	174.4	-60.6	0	0	0	0	112.6	R173 C194	S169-R173 WeakPolarHBondContact O-CB 3.27Å; S169-R173 WeakPolarHBondContact O-CD 3.41Å; S169-R173 WeakPolarHBondContact O-CG 3.39Å; S169-R173 PolarHBondContact O-N 3.44Å; S169-C194 PolarHBondContact OG-N 2.82Å; S169-C194 VanDerWaalsContact OG-N 3.15Å
170	E	89.6	Confident	90.1	Very high	145 Å²	145	38.6 Å²	38.6	68%	0.678	21%	0.213	S	C	*	.	H	α-helix	trans	-72.5	-44.3	179.3	-68.5	167.4	-174.1	0	0	112.3	T168 R173 S174	T168-E170 PolarHBondContact O-N 3.13Å; T168-E170 VanDerWaalsContact O-N 3.12Å; E170-R173 PolarHBondContact O-N 3.25Å; E170-S174 WeakPolarHBondContact O-CB 3.29Å; E170-S174 PolarHBondContact O-N 3.34Å
171	E	89.6	Confident	89.2	Confident	37 Å²	37	47.1 Å²	47.1	17%	0.173	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-45.9	174.2	-74.4	169.9	127.9	0	0	111.1	T69 T168 R173 S174 I175	T69-E171 VanDerWaalsContact CB-OE1 3.3Å; T69-E171 WeakPolarHBondContact CB-OE1 3.27Å; T69-E171 WeakPolarHBondContact CG2-OE1 3.1Å; T69-E171 PolarHBondContact OG1-OE1 3.31Å; T168-E171 PolarHBondContact N-OE2 2.93Å; T168-E171 PolarHBondContact O-N 2.94Å; T168-E171 VanDerWaalsContact OG1-CG 3.27Å; T168-E171 WeakPolarHBondContact OG1-CG 3.41Å; T168-E171 PolarHBondContact OG1-N 3.37Å; T168-E171 PolarHBondContact OG1-OE2 3.41Å; E171-R173 PolarHBondContact O-N 3.35Å; E171-S174 WeakPolarHBondContact O-CB 3.38Å; E171-S174 PolarHBondContact O-N 3.43Å; E171-S174 VanDerWaalsContact O-N 3.15Å; E171-I175 WeakPolarHBondContact O-CG1 3.29Å; E171-I175 PolarHBondContact O-N 3.44Å
172	V	91.2	Very high	88.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-44.4	178.4	-179.6	0	0	0	0	110.9	C139 M141 M163 C167 T168 S174 I175 I176	C139-V172 HydrophobicContact CB-CG1 4.25Å; M141-V172 HydrophobicContact CE-CB 4.32Å; M141-V172 HydrophobicContact CE-CG1 3.48Å; M141-V172 VanDerWaalsContact CE-CG1 3.48Å; M141-V172 HydrophobicContact SD-CG1 4.14Å; M163-V172 HydrophobicContact CB-CG2 4.25Å; M163-V172 HydrophobicContact CE-CG1 4.29Å; M163-V172 HydrophobicContact CG-CG1 4.14Å; M163-V172 HydrophobicContact CG-CG2 3.92Å; M163-V172 HydrophobicContact SD-CG2 4.48Å; C167-V172 HydrophobicContact CB-CG2 3.81Å; T168-V172 WeakPolarHBondContact O-CG2 3.32Å; T168-V172 PolarHBondContact O-N 3.5Å; V172-S174 VanDerWaalsContact C-N 3.3Å; V172-S174 PolarHBondContact O-N 3.25Å; V172-I175 PolarHBondContact O-N 2.91Å; V172-I176 HydrophobicContact CG1-CG1 4.25Å; V172-I176 WeakPolarHBondContact O-CB 3.48Å; V172-I176 VanDerWaalsContact O-CG1 3.3Å; V172-I176 WeakPolarHBondContact O-CG1 3.31Å; V172-I176 PolarHBondContact O-N 3Å
173	R	92.3	Very high	87.4	Confident	49 Å²	49	58.7 Å²	58.7	19%	0.185	30%	0.296	C	S	.	.	H	α-helix	trans	-58.6	-40.7	174.2	-75	167.5	-171.4	162.6	-0.8	111.8	S169 E170 E171 N177 L187 Q189 S192	S169-R173 WeakPolarHBondContact O-CB 3.27Å; S169-R173 WeakPolarHBondContact O-CD 3.41Å; S169-R173 WeakPolarHBondContact O-CG 3.39Å; S169-R173 PolarHBondContact O-N 3.44Å; E170-R173 PolarHBondContact O-N 3.25Å; E171-R173 PolarHBondContact O-N 3.35Å; R173-N177 WeakPolarHBondContact O-CB 3.49Å; R173-N177 PolarHBondContact O-N 2.83Å; R173-L187 HydrophobicContact CB-CD2 4.16Å; R173-L187 HydrophobicContact CG-CD2 4.3Å; R173-Q189 PolarHBondContact NE-O 3.39Å; R173-Q189 PolarHBondContact NH2-O 3.05Å; R173-S192 PolarHBondContact NE-O 3.49Å; R173-S192 PolarHBondContact NH2-O 3.27Å
174	S	88.4	Confident	86.6	Confident	57 Å²	57	65.4 Å²	65.4	40%	0.399	33%	0.331	S	S	.	.	H	α-helix	trans	-64.7	-45.8	179.4	-173.8	0	0	0	0	112.2	E170 E171 V172 T178	E170-S174 WeakPolarHBondContact O-CB 3.29Å; E170-S174 PolarHBondContact O-N 3.34Å; E171-S174 WeakPolarHBondContact O-CB 3.38Å; E171-S174 PolarHBondContact O-N 3.43Å; E171-S174 VanDerWaalsContact O-N 3.15Å; V172-S174 VanDerWaalsContact C-N 3.3Å; V172-S174 PolarHBondContact O-N 3.25Å; S174-T178 PolarHBondContact O-N 3.38Å; S174-T178 PolarHBondContact O-OG1 3.32Å
175	I	86.3	Confident	86	Confident	24 Å²	24	67.6 Å²	67.6	12%	0.123	34%	0.342	C	S	.	.	H	α-helix	trans	-59.9	-51.4	176.6	-66.5	165.7	0	0	0	109.5	P65 I75 E171 V172 T178 T179	P65-I175 HydrophobicContact CG-CG1 4.42Å; I75-I175 HydrophobicContact CD1-CD1 3.85Å; E171-I175 WeakPolarHBondContact O-CG1 3.29Å; E171-I175 PolarHBondContact O-N 3.44Å; V172-I175 PolarHBondContact O-N 2.91Å; I175-T178 WeakPolarHBondContact O-CB 3.24Å; I175-T178 PolarHBondContact O-N 3.18Å; I175-T179 PolarHBondContact O-N 2.81Å; I175-T179 PolarHBondContact O-OG1 3.36Å
176	I	89.3	Confident	85.6	Confident	24 Å²	24	71.1 Å²	71.1	12%	0.123	35%	0.349	C	S	.	.	H	α-helix	trans	-70.5	-36.9	-175.7	-63.7	-59.5	0	0	0	112.5	M141 F143 L161 V172 T178 T179 A180 L187	M141-I176 HydrophobicContact CB-CG2 4.41Å; M141-I176 HydrophobicContact CG-CG1 4.17Å; M141-I176 HydrophobicContact CG-CG2 4.16Å; M141-I176 HydrophobicContact SD-CB 4.36Å; M141-I176 HydrophobicContact SD-CG1 4.27Å; M141-I176 HydrophobicContact SD-CG2 4.39Å; F143-I176 HydrophobicContact CE1-CG2 3.93Å; F143-I176 HydrophobicContact CZ-CG2 3.63Å; L161-I176 HydrophobicContact CD1-CD1 3.39Å; L161-I176 HydrophobicContact CD1-CG1 3.66Å; V172-I176 HydrophobicContact CG1-CG1 4.25Å; V172-I176 WeakPolarHBondContact O-CB 3.48Å; V172-I176 VanDerWaalsContact O-CG1 3.3Å; V172-I176 WeakPolarHBondContact O-CG1 3.31Å; V172-I176 PolarHBondContact O-N 3Å; I176-T178 PolarHBondContact O-N 2.83Å; I176-T179 PolarHBondContact O-N 2.86Å; I176-T179 VanDerWaalsContact O-N 3.17Å; I176-A180 WeakPolarHBondContact O-CB 3.34Å; I176-A180 PolarHBondContact O-N 3.39Å; I176-L187 HydrophobicContact CG2-CD1 4.02Å; I176-L187 HydrophobicContact CG2-CD2 4.45Å
177	N	88.4	Confident	85.6	Confident	68 Å²	68	69.2 Å²	69.2	36%	0.364	34%	0.338	S	S	.	.	H	α-helix	trans	-61	-35.8	177.3	-172.8	57.1	0	0	0	111.7	R173 Y181 L187	R173-N177 WeakPolarHBondContact O-CB 3.49Å; R173-N177 PolarHBondContact O-N 2.83Å; N177-Y181 WeakPolarHBondContact O-CB 3.48Å; N177-Y181 PolarHBondContact O-N 2.94Å; N177-L187 HydrophobicContact CB-CD2 4.11Å
178	T	81.7	Confident	85.4	Confident	55 Å²	55	69.9 Å²	69.9	34%	0.337	34%	0.341	S	S	.	.	H	α-helix	trans	-62.8	-49.8	173.9	-53.3	0	0	0	0	110.9	S174 I175 I176 Y182	S174-T178 PolarHBondContact O-N 3.38Å; S174-T178 PolarHBondContact O-OG1 3.32Å; I175-T178 WeakPolarHBondContact O-CB 3.24Å; I175-T178 PolarHBondContact O-N 3.18Å; I176-T178 PolarHBondContact O-N 2.83Å; T178-Y182 HydrophobicContact CG2-CE2 4.12Å; T178-Y182 WeakPolarHBondContact O-CD2 3.4Å
179	T	80	Confident	85.3	Confident	43 Å²	43	72.2 Å²	72.2	26%	0.264	35%	0.346	S	S	.	.	H	α-helix	trans	-65.5	-40.2	177.5	-48.2	0	0	0	0	112.5	I175 I176 Y181 Y182 L183	I175-T179 PolarHBondContact O-N 2.81Å; I175-T179 PolarHBondContact O-OG1 3.36Å; I176-T179 PolarHBondContact O-N 2.86Å; I176-T179 VanDerWaalsContact O-N 3.17Å; T179-Y181 VanDerWaalsContact C-N 3.34Å; T179-Y181 PolarHBondContact O-N 3.48Å; T179-Y182 PolarHBondContact O-N 3.45Å; T179-L183 HydrophobicContact CG2-CD1 4.34Å; T179-L183 PolarHBondContact O-N 2.9Å
180	A	82.6	Confident	85.1	Confident	2 Å²	2	77 Å²	77	2%	0.017	36%	0.363	C	S	.	.	H	α-helix	trans	-62.9	-40.5	-179.6	0	0	0	0	0	111.9	F143 I176 Y182 L183 L184 L185	F143-A180 HydrophobicContact CD1-CB 4.27Å; F143-A180 HydrophobicContact CE1-CB 3.69Å; I176-A180 WeakPolarHBondContact O-CB 3.34Å; I176-A180 PolarHBondContact O-N 3.39Å; A180-Y182 VanDerWaalsContact C-N 3.3Å; A180-Y182 PolarHBondContact O-N 2.88Å; A180-L183 CarbonylContact O-C 3.43Å; A180-L183 WeakPolarHBondContact O-CA 3.28Å; A180-L183 PolarHBondContact O-N 3.38Å; A180-L184 PolarHBondContact O-N 3.37Å; A180-L185 CarbonylContact C-O 3.57Å; A180-L185 HydrophobicContact CB-CB 4.21Å; A180-L185 PolarHBondContact O-N 3.33Å
181	Y	76.4	Confident	84.9	Confident	180 Å²	180	72.2 Å²	72.2	71%	0.706	34%	0.341	S	S	*	.	H	α-helix	trans	-57.1	-43.2	174.9	178.4	-98.2	0	0	0	112	N177 T179 L183 L184	N177-Y181 WeakPolarHBondContact O-CB 3.48Å; N177-Y181 PolarHBondContact O-N 2.94Å; T179-Y181 VanDerWaalsContact C-N 3.34Å; T179-Y181 PolarHBondContact O-N 3.48Å; Y181-L183 VanDerWaalsContact C-N 3.26Å; Y181-L183 PolarHBondContact O-N 3.4Å; Y181-L184 PolarHBondContact O-N 2.94Å; Y181-L184 VanDerWaalsContact O-N 3.16Å
182	Y	75.1	Confident	85	Confident	163 Å²	163	70.5 Å²	70.5	64%	0.639	33%	0.333	S	S	*	.	H	α-helix	trans	-65.7	-29.1	175.3	-72.7	-69.3	0	0	0	113.3	T178 T179 A180 L184	T178-Y182 HydrophobicContact CG2-CE2 4.12Å; T178-Y182 WeakPolarHBondContact O-CD2 3.4Å; T179-Y182 PolarHBondContact O-N 3.45Å; A180-Y182 VanDerWaalsContact C-N 3.3Å; A180-Y182 PolarHBondContact O-N 2.88Å; Y182-L184 VanDerWaalsContact C-N 3.32Å
183	L	78.1	Confident	85	Confident	115 Å²	115	71.5 Å²	71.5	60%	0.602	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	5.5	176.5	-65.3	173	0	0	0	113.4	T179 A180 Y181 L185	T179-L183 HydrophobicContact CG2-CD1 4.34Å; T179-L183 PolarHBondContact O-N 2.9Å; A180-L183 CarbonylContact O-C 3.43Å; A180-L183 WeakPolarHBondContact O-CA 3.28Å; A180-L183 PolarHBondContact O-N 3.38Å; Y181-L183 VanDerWaalsContact C-N 3.26Å; Y181-L183 PolarHBondContact O-N 3.4Å; L183-L185 HydrophobicContact CB-CD1 4.14Å; L183-L185 HydrophobicContact CB-CG 4.15Å; L183-L185 HydrophobicContact CD1-CD1 4.47Å; L183-L185 PolarHBondContact O-N 3.3Å
184	L	78.5	Confident	85	Confident	164 Å²	164	69.9 Å²	69.9	86%	0.859	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	27.2	-174.3	-56.2	171.6	0	0	0	113.5	A180 Y181 Y182	A180-L184 PolarHBondContact O-N 3.37Å; Y181-L184 PolarHBondContact O-N 2.94Å; Y181-L184 VanDerWaalsContact O-N 3.16Å; Y182-L184 VanDerWaalsContact C-N 3.32Å
185	L	82.3	Confident	85.2	Confident	47 Å²	47	67.3 Å²	67.3	25%	0.246	32%	0.315	C	S	.	.			trans	-98.6	144.5	175.4	-66.1	175.3	0	0	0	110.3	F143 M145 A180 L183	F143-L185 HydrophobicContact CD1-CB 3.92Å; F143-L185 HydrophobicContact CD1-CD1 4.43Å; F143-L185 HydrophobicContact CG-CB 4.49Å; M145-L185 HydrophobicContact SD-CD2 3.97Å; A180-L185 CarbonylContact C-O 3.57Å; A180-L185 HydrophobicContact CB-CB 4.21Å; A180-L185 PolarHBondContact O-N 3.33Å; L183-L185 HydrophobicContact CB-CD1 4.14Å; L183-L185 HydrophobicContact CB-CG 4.15Å; L183-L185 HydrophobicContact CD1-CD1 4.47Å; L183-L185 PolarHBondContact O-N 3.3Å
186	R	85.3	Confident	85.1	Confident	158 Å²	158	72.7 Å²	72.7	60%	0.596	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	113.1	175.9	-173.4	-178.8	-175.3	178.7	1.3	110.1	F143 D144	F143-R186 CarbonylContact C-O 3.52Å; F143-R186 VanDerWaalsContact CA-O 3.28Å; F143-R186 WeakPolarHBondContact CA-O 3.29Å; D144-R186 PolarHBondContact N-O 2.99Å
187	L	89.5	Confident	84.7	Confident	10 Å²	10	76.3 Å²	76.3	5%	0.052	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	128.1	175	-173	72.7	0	0	0	110.9	M141 F143 R173 I176 N177 Q189 S192	M141-L187 HydrophobicContact CB-CD1 4.06Å; M141-L187 HydrophobicContact SD-CD1 4.22Å; F143-L187 HydrophobicContact CD1-CB 4.32Å; F143-L187 HydrophobicContact CD1-CD1 3.99Å; F143-L187 HydrophobicContact CE1-CB 4.25Å; F143-L187 HydrophobicContact CE1-CD1 3.56Å; F143-L187 HydrophobicContact CZ-CD1 3.95Å; R173-L187 HydrophobicContact CB-CD2 4.16Å; R173-L187 HydrophobicContact CG-CD2 4.3Å; I176-L187 HydrophobicContact CG2-CD1 4.02Å; I176-L187 HydrophobicContact CG2-CD2 4.45Å; N177-L187 HydrophobicContact CB-CD2 4.11Å; L187-Q189 PolarHBondContact O-N 2.82Å; L187-S192 WeakPolarHBondContact CD1-OG 3.46Å
188	N	88.6	Confident	84.3	Confident	24 Å²	24	75.2 Å²	75.2	13%	0.128	34%	0.344	C	S	.	.			trans	-84.9	95.7	171	-171.6	-33.7	0	0	0	109.5	V142 D144 K190 E191 S192	V142-N188 HydrophobicContact CB-CB 4.33Å; V142-N188 HydrophobicContact CG1-CB 4.31Å; V142-N188 WeakPolarHBondContact O-CB 3.36Å; V142-N188 PolarHBondContact O-N 3.04Å; D144-N188 PolarHBondContact OD1-ND2 3.2Å; D144-N188 VanDerWaalsContact OD1-ND2 3.13Å; N188-K190 VanDerWaalsContact C-N 3.26Å; N188-K190 PolarHBondContact O-N 3.49Å; N188-K190 PolarHBondContact OD1-N 3.16Å; N188-E191 PolarHBondContact O-N 3.14Å; N188-E191 PolarHBondContact OD1-N 2.92Å; N188-S192 VanDerWaalsContact O-CB 3.3Å; N188-S192 WeakPolarHBondContact O-CB 3.09Å; N188-S192 PolarHBondContact O-N 2.92Å; N188-S192 PolarHBondContact O-OG 2.74Å
189	Q	88.9	Confident	84.2	Confident	118 Å²	118	75.3 Å²	75.3	55%	0.551	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-30.7	-174.4	-65.9	-176.1	-5.7	0	0	113.8	R173 L187	R173-Q189 PolarHBondContact NE-O 3.39Å; R173-Q189 PolarHBondContact NH2-O 3.05Å; L187-Q189 PolarHBondContact O-N 2.82Å
190	K	85.3	Confident	84.4	Confident	133 Å²	133	78.4 Å²	78.4	58%	0.578	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-28.8	-176.2	-68.1	-169.5	177	-167.3	0	113.3	N188	N188-K190 VanDerWaalsContact C-N 3.26Å; N188-K190 PolarHBondContact O-N 3.49Å; N188-K190 PolarHBondContact OD1-N 3.16Å
191	E	86	Confident	84.4	Confident	46 Å²	46	78.7 Å²	78.7	22%	0.215	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-9.8	-179.1	-64.8	-174.6	-177.1	0	0	112.9	V142 R156 N188 F193	V142-E191 HydrophobicContact CB-CB 4.14Å; V142-E191 HydrophobicContact CG1-CB 4.46Å; V142-E191 HydrophobicContact CG2-CB 4.08Å; R156-E191 IonicContact CZ-OE1 2.65Å; R156-E191 VanDerWaalsContact CZ-OE1 3.27Å; R156-E191 IonicContact CZ-OE2 2.69Å; R156-E191 IonicContact NE-OE2 3.08Å; R156-E191 IonicContact NH1-OE1 3.97Å; R156-E191 PolarHBondContact NH1-OE1 3.21Å; R156-E191 IonicContact NH1-OE2 3.62Å; R156-E191 PolarHBondContact NH1-OE2 3.4Å; R156-E191 IonicContact NH2-OE1 3.71Å; R156-E191 PolarHBondContact NH2-OE1 3.16Å; R156-E191 IonicContact NH2-OE2 2.72Å; N188-E191 PolarHBondContact O-N 3.14Å; N188-E191 PolarHBondContact OD1-N 2.92Å; E191-F193 VanDerWaalsContact O-CD1 3.31Å; E191-F193 WeakPolarHBondContact O-CD1 3.49Å
192	S	91.4	Very high	84.8	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	37%	0.365	C	S	.	.			trans	-88.7	120	176.2	-57.5	0	0	0	0	110.2	T140 V142 R173 L187 N188	T140-S192 CarbonylContact O-C 3.44Å; T140-S192 WeakPolarHBondContact O-CA 3.46Å; V142-S192 PolarHBondContact N-OG 3.47Å; V142-S192 PolarHBondContact O-OG 3.28Å; R173-S192 PolarHBondContact NE-O 3.49Å; R173-S192 PolarHBondContact NH2-O 3.27Å; L187-S192 WeakPolarHBondContact CD1-OG 3.46Å; N188-S192 VanDerWaalsContact O-CB 3.3Å; N188-S192 WeakPolarHBondContact O-CB 3.09Å; N188-S192 PolarHBondContact O-N 2.92Å; N188-S192 PolarHBondContact O-OG 2.74Å
193	F	91.5	Very high	85.5	Confident	22 Å²	22	72.5 Å²	72.5	10%	0.096	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	163.3	-179.3	62.6	-87.6	0	0	0	112.1	C139 T140 E191 H195 Q466 D467	C139-F193 CarbonylContact C-O 3.45Å; C139-F193 WeakPolarHBondContact CA-O 3.35Å; T140-F193 PolarHBondContact N-O 3.19Å; T140-F193 PolarHBondContact O-N 2.78Å; E191-F193 VanDerWaalsContact O-CD1 3.31Å; E191-F193 WeakPolarHBondContact O-CD1 3.49Å; F193-H195 AromaticContact CE2-CD2 3.82Å; F193-H195 AromaticContact CE2-CE1 3.48Å; F193-H195 VanDerWaalsContact CE2-CE1 3.48Å; F193-H195 WeakPolarHBondContact CE2-CE1 3.39Å; F193-H195 AromaticContact CE2-CG 3.94Å; F193-H195 AromaticContact CE2-ND1 3.74Å; F193-H195 AromaticContact CE2-NE2 3.56Å; F193-H195 AromaticContact CZ-CE1 3.7Å; F193-H195 AromaticContact CZ-NE2 3.81Å; F193-Q466 HydrophobicContact CE2-CB 4.09Å; F193-D467 HydrophobicContact CB-CB 4.41Å; F193-D467 HydrophobicContact CD1-CB 4.08Å; F193-D467 HydrophobicContact CD2-CB 4.33Å; F193-D467 HydrophobicContact CE1-CB 4.48Å; F193-D467 HydrophobicContact CG-CB 4.01Å
194	C	92.1	Very high	86	Confident	15 Å²	15	68.3 Å²	68.3	10%	0.101	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.4	170.7	-60.2	0	0	0	0	111.1	C139 S169	C139-C194 HydrophobicContact CB-CB 4.02Å; C139-C194 WeakPolarHBondContact CB-SG 3.28Å; C139-C194 WeakPolarHBondContact SG-CB 3.35Å; C139-C194 CovalentContact SG-SG 2.04Å; C139-C194 PolarHBondContact SG-SG 3.24Å; S169-C194 PolarHBondContact OG-N 2.82Å; S169-C194 VanDerWaalsContact OG-N 3.15Å
195	H	90.9	Very high	86.7	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.009	32%	0.322	C	S	.	.			trans	-74	149.3	179.4	-69.5	-101.9	0	0	0	110.4	Y114 Y138 T140 F193 G461 P462 F464 Q466	Y114-H195 HydrophobicContact CE2-CB 4.23Å; Y138-H195 HydrophobicContact CD1-CB 4.5Å; Y138-H195 AromaticContact CD1-CD2 3.49Å; Y138-H195 VanDerWaalsContact CD1-CD2 3.49Å; Y138-H195 WeakPolarHBondContact CD1-CD2 3.29Å; Y138-H195 AromaticContact CE1-CD2 3.97Å; Y138-H195 WeakPolarHBondContact O-CB 3.26Å; Y138-H195 PolarHBondContact O-CD2 3.4Å; Y138-H195 PolarHBondContact O-N 3.31Å; T140-H195 PolarHBondContact OG1-CD2 2.81Å; T140-H195 PolarHBondContact OG1-NE2 3.38Å; F193-H195 AromaticContact CE2-CD2 3.82Å; F193-H195 AromaticContact CE2-CE1 3.48Å; F193-H195 VanDerWaalsContact CE2-CE1 3.48Å; F193-H195 WeakPolarHBondContact CE2-CE1 3.39Å; F193-H195 AromaticContact CE2-CG 3.94Å; F193-H195 AromaticContact CE2-ND1 3.74Å; F193-H195 AromaticContact CE2-NE2 3.56Å; F193-H195 AromaticContact CZ-CE1 3.7Å; F193-H195 AromaticContact CZ-NE2 3.81Å; H195-G461 PolarHBondContact CE1-O 3.37Å; H195-G461 PolarHBondContact ND1-O 3.48Å; H195-P462 PolarHBondContact NE2-O 2.83Å; H195-F464 PolarHBondContact CE1-O 3.12Å; H195-Q466 VanDerWaalsContact CA-OE1 3.32Å; H195-Q466 PolarHBondContact ND1-OE1 3.21Å
196	R	85.4	Confident	87.2	Confident	138 Å²	138	66 Å²	66	52%	0.521	32%	0.321	S	S	.	.			trans	-120.4	159.2	174.2	-64.8	-176.3	-177.4	169.5	2.9	108.8	V198 D200 V201 Q466	R196-V198 PolarHBondContact O-N 3.46Å; R196-D200 HydrophobicContact CB-CB 4.43Å; R196-V201 HydrophobicContact CB-CG2 4.5Å; R196-Q466 PolarHBondContact O-NE2 2.65Å; R196-Q466 VanDerWaalsContact O-NE2 3.16Å; R196-Q466 PolarHBondContact O-OE1 2.9Å; R196-Q466 VanDerWaalsContact O-OE1 3.08Å
197	F	81.7	Confident	87.6	Confident	100 Å²	100	60.9 Å²	60.9	44%	0.439	30%	0.302	S	S	.	.			trans	-58.1	142.4	167.9	-67.1	-73.5	0	0	0	109.6	L118 G199 D200 V201	L118-F197 HydrophobicContact CB-CE1 4.16Å; L118-F197 HydrophobicContact CB-CZ 4.1Å; L118-F197 HydrophobicContact CD1-CD1 4.47Å; L118-F197 HydrophobicContact CD1-CE1 3.87Å; L118-F197 HydrophobicContact CD1-CZ 4.48Å; L118-F197 HydrophobicContact CD2-CE1 4.16Å; L118-F197 HydrophobicContact CD2-CZ 4.01Å; L118-F197 HydrophobicContact CG-CE1 4.3Å; L118-F197 HydrophobicContact CG-CZ 4.43Å; F197-G199 PolarHBondContact O-N 3.42Å; F197-D200 HydrophobicContact CB-CB 4.47Å; F197-D200 CarbonylContact O-C 3.56Å; F197-D200 WeakPolarHBondContact O-CA 3.24Å; F197-D200 PolarHBondContact O-N 3.14Å; F197-V201 PolarHBondContact O-N 3.44Å; F197-V201 VanDerWaalsContact O-N 3.16Å
198	V	79.8	Confident	87.9	Confident	45 Å²	45	66.5 Å²	66.5	27%	0.273	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-51.8	-36.9	-176.6	-179.4	0	0	0	0	112.4	R196 D200 H457 D460	R196-V198 PolarHBondContact O-N 3.46Å; V198-D200 VanDerWaalsContact C-N 3.3Å; V198-D200 PolarHBondContact O-N 3.31Å; V198-H457 VanDerWaalsContact CG1-O 3.26Å; V198-H457 WeakPolarHBondContact CG1-O 3.11Å; V198-D460 HydrophobicContact CG2-CB 3.62Å
199	G	79.2	Confident	88.2	Confident	57 Å²	57	68.6 Å²	68.6	59%	0.588	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-66.9	-27	176.7	0	0	0	0	0	114.8	F197	F197-G199 PolarHBondContact O-N 3.42Å
200	D	83.3	Confident	88.5	Confident	107 Å²	107	63 Å²	63	57%	0.572	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-98.8	-3.9	-175.6	-60.2	-28.8	0	0	0	112.9	R196 F197 V198 Q202	R196-D200 HydrophobicContact CB-CB 4.43Å; F197-D200 HydrophobicContact CB-CB 4.47Å; F197-D200 CarbonylContact O-C 3.56Å; F197-D200 WeakPolarHBondContact O-CA 3.24Å; F197-D200 PolarHBondContact O-N 3.14Å; V198-D200 VanDerWaalsContact C-N 3.3Å; V198-D200 PolarHBondContact O-N 3.31Å; D200-Q202 PolarHBondContact O-N 2.91Å
201	V	84	Confident	89	Confident	9 Å²	9	59.3 Å²	59.3	6%	0.055	30%	0.296	C	S	.	.	S	Bend	trans	-61.1	129	170.6	-178.1	0	0	0	0	108.3	R196 F197 K203 H457	R196-V201 HydrophobicContact CB-CG2 4.5Å; F197-V201 PolarHBondContact O-N 3.44Å; F197-V201 VanDerWaalsContact O-N 3.16Å; V201-K203 PolarHBondContact O-N 3.35Å; V201-H457 VanDerWaalsContact CG1-CE1 3.46Å; V201-H457 WeakPolarHBondContact CG1-CE1 3.26Å
202	Q	83.7	Confident	89.5	Confident	117 Å²	117	60.4 Å²	60.4	55%	0.547	31%	0.309	S	S	.	.			trans	-58.7	123.6	-175.4	178.8	177.3	-7.7	0	0	110.9	D200 H457 I468	D200-Q202 PolarHBondContact O-N 2.91Å; Q202-H457 PolarHBondContact O-CE1 3.47Å; Q202-I468 HydrophobicContact CB-CD1 3.9Å; Q202-I468 HydrophobicContact CG-CD1 4.35Å; Q202-I468 WeakPolarHBondContact O-CD1 3.35Å
203	K	89.6	Confident	89.7	Confident	95 Å²	95	63.2 Å²	63.2	41%	0.413	32%	0.324	S	S	.	.			trans	-89.1	113.8	175.6	-66.5	166.7	-173.8	161.6	0	108.9	V201 Y207 Y208	V201-K203 PolarHBondContact O-N 3.35Å; K203-Y207 HydrophobicContact CB-CD1 3.76Å; K203-Y207 HydrophobicContact CB-CE1 4.24Å; K203-Y207 HydrophobicContact CB-CG 4.19Å; K203-Y207 HydrophobicContact CD-CD1 4.17Å; K203-Y207 HydrophobicContact CD-CE1 3.76Å; K203-Y207 HydrophobicContact CG-CD1 3.82Å; K203-Y207 HydrophobicContact CG-CE1 3.87Å; K203-Y207 HydrophobicContact CG-CG 4.16Å; K203-Y208 HydrophobicContact CB-CE2 4.16Å
204	D	89.9	Confident	89.9	Confident	27 Å²	27	64 Å²	64	14%	0.144	33%	0.331	C	S	.	.			trans	-103.5	-175.2	180	68.5	8.7	0	0	0	112.2	W206 Y207 Y208 I468 R477	D204-W206 PolarHBondContact O-N 2.86Å; D204-W206 WeakPolarHBondContact OD1-CA 3.43Å; D204-W206 WeakPolarHBondContact OD1-CB 3.21Å; D204-W206 PolarHBondContact OD1-N 3.39Å; D204-Y207 WeakPolarHBondContact O-CB 3.31Å; D204-Y207 PolarHBondContact O-N 3.46Å; D204-Y207 PolarHBondContact OD1-N 3.13Å; D204-Y208 WeakPolarHBondContact O-CD2 3.13Å; D204-Y208 PolarHBondContact O-N 3.36Å; D204-I468 WeakPolarHBondContact OD2-CG2 3.28Å; D204-R477 IonicContact OD1-NH2 3Å; D204-R477 IonicContact OD2-CZ 3.19Å; D204-R477 IonicContact OD2-NH1 3.33Å; D204-R477 PolarHBondContact OD2-NH1 3.01Å; D204-R477 IonicContact OD2-NH2 3.27Å; D204-R477 PolarHBondContact OD2-NH2 3.16Å
205	T	92.6	Very high	90.1	Very high	103 Å²	103	65.8 Å²	65.8	63%	0.632	34%	0.344	S	S	*	.	H	α-helix	trans	-58.1	-36.4	178.1	-47.4	0	0	0	0	112.6	Y208 I209	T205-Y208 PolarHBondContact O-N 2.97Å; T205-I209 HydrophobicContact CG2-CD1 3.91Å; T205-I209 HydrophobicContact CG2-CG1 4.4Å; T205-I209 WeakPolarHBondContact O-CB 3.31Å; T205-I209 VanDerWaalsContact O-CG1 3.24Å; T205-I209 WeakPolarHBondContact O-CG1 3.47Å; T205-I209 PolarHBondContact O-N 3Å
206	W	91.7	Very high	90.3	Very high	60 Å²	60	67.9 Å²	67.9	23%	0.227	36%	0.362	C	S	.	.	H	α-helix	trans	-68.2	-38.4	-179.4	-75.4	96.2	0	0	0	111.8	D204 I209 A210 T452 R477	D204-W206 PolarHBondContact O-N 2.86Å; D204-W206 WeakPolarHBondContact OD1-CA 3.43Å; D204-W206 WeakPolarHBondContact OD1-CB 3.21Å; D204-W206 PolarHBondContact OD1-N 3.39Å; W206-I209 PolarHBondContact O-N 3.24Å; W206-A210 WeakPolarHBondContact O-CB 3.13Å; W206-A210 PolarHBondContact O-N 3.42Å; W206-T452 VanDerWaalsContact CE3-OG1 3.25Å; W206-R477 HydrophobicContact CD2-CG 4.17Å; W206-R477 HydrophobicContact CG-CG 4.4Å; W206-R477 HydrophobicContact CZ2-CB 4.06Å; W206-R477 HydrophobicContact CZ2-CG 4.1Å
207	Y	93.9	Very high	90.8	Very high	50 Å²	50	62.5 Å²	62.5	20%	0.196	34%	0.343	C	S	.	.	H	α-helix	trans	-57	-51.8	171.3	172.6	-94.8	0	0	0	111.4	K203 D204 I209 A210 V211 G453 L454 H457	K203-Y207 HydrophobicContact CB-CD1 3.76Å; K203-Y207 HydrophobicContact CB-CE1 4.24Å; K203-Y207 HydrophobicContact CB-CG 4.19Å; K203-Y207 HydrophobicContact CD-CD1 4.17Å; K203-Y207 HydrophobicContact CD-CE1 3.76Å; K203-Y207 HydrophobicContact CG-CD1 3.82Å; K203-Y207 HydrophobicContact CG-CE1 3.87Å; K203-Y207 HydrophobicContact CG-CG 4.16Å; D204-Y207 WeakPolarHBondContact O-CB 3.31Å; D204-Y207 PolarHBondContact O-N 3.46Å; D204-Y207 PolarHBondContact OD1-N 3.13Å; Y207-I209 PolarHBondContact O-N 3.38Å; Y207-A210 PolarHBondContact O-N 3.08Å; Y207-V211 HydrophobicContact CD1-CG2 4.38Å; Y207-V211 HydrophobicContact CD2-CG2 4.33Å; Y207-V211 HydrophobicContact CE1-CG2 3.95Å; Y207-V211 HydrophobicContact CE2-CG2 3.93Å; Y207-V211 WeakPolarHBondContact O-CG2 3.4Å; Y207-V211 PolarHBondContact O-N 2.82Å; Y207-G453 WeakPolarHBondContact CA-O 3.32Å; Y207-L454 HydrophobicContact CD2-CD2 4.12Å; Y207-L454 HydrophobicContact CE2-CD2 4.16Å; Y207-H457 AromaticContact CD2-CD2 3.38Å; Y207-H457 WeakPolarHBondContact CD2-CD2 3.49Å; Y207-H457 AromaticContact CD2-CG 3.92Å; Y207-H457 AromaticContact CD2-NE2 3.61Å; Y207-H457 HydrophobicContact CE2-CB 4.35Å; Y207-H457 AromaticContact CE2-CD2 3.98Å
208	Y	96.2	Very high	91.4	Very high	128 Å²	128	61.8 Å²	61.8	50%	0.502	35%	0.347	S	S	.	.	H	α-helix	trans	-65.5	-37.2	-179.1	-66.2	-65.6	0	0	0	112.7	K203 D204 T205 S212	K203-Y208 HydrophobicContact CB-CE2 4.16Å; D204-Y208 WeakPolarHBondContact O-CD2 3.13Å; D204-Y208 PolarHBondContact O-N 3.36Å; T205-Y208 PolarHBondContact O-N 2.97Å; Y208-S212 VanDerWaalsContact O-CB 3.23Å; Y208-S212 WeakPolarHBondContact O-CB 3.39Å; Y208-S212 PolarHBondContact O-N 2.88Å; Y208-S212 PolarHBondContact O-OG 3.39Å
209	I	94.9	Very high	92.2	Very high	68 Å²	68	64.2 Å²	64.2	35%	0.349	36%	0.357	S	S	.	.	H	α-helix	trans	-60	-47.6	172.7	-72	167.3	0	0	0	110.3	T205 W206 Y207 S212 I213 I449	T205-I209 HydrophobicContact CG2-CD1 3.91Å; T205-I209 HydrophobicContact CG2-CG1 4.4Å; T205-I209 WeakPolarHBondContact O-CB 3.31Å; T205-I209 VanDerWaalsContact O-CG1 3.24Å; T205-I209 WeakPolarHBondContact O-CG1 3.47Å; T205-I209 PolarHBondContact O-N 3Å; W206-I209 PolarHBondContact O-N 3.24Å; Y207-I209 PolarHBondContact O-N 3.38Å; I209-S212 PolarHBondContact O-N 3.09Å; I209-I213 HydrophobicContact CG2-CD1 3.71Å; I209-I213 WeakPolarHBondContact O-CG1 3.47Å; I209-I213 PolarHBondContact O-N 2.92Å; I209-I449 HydrophobicContact CG2-CG2 4.46Å
210	A	95.2	Very high	93	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-65.5	-45.6	-177.4	0	0	0	0	0	112.5	W206 Y207 S212 I213 C214 I449 L454	W206-A210 WeakPolarHBondContact O-CB 3.13Å; W206-A210 PolarHBondContact O-N 3.42Å; Y207-A210 PolarHBondContact O-N 3.08Å; A210-S212 VanDerWaalsContact C-N 3.33Å; A210-S212 PolarHBondContact O-N 2.92Å; A210-I213 PolarHBondContact O-N 2.92Å; A210-C214 WeakPolarHBondContact O-CB 3.32Å; A210-C214 PolarHBondContact O-N 3.32Å; A210-C214 PolarHBondContact O-SG 3.48Å; A210-I449 VanDerWaalsContact CA-CG2 3.41Å; A210-I449 HydrophobicContact CB-CG2 3.48Å; A210-I449 VanDerWaalsContact CB-CG2 3.48Å; A210-L454 HydrophobicContact CB-CD1 4.07Å; A210-L454 HydrophobicContact CB-CD2 4.14Å; A210-L454 HydrophobicContact CB-CG 3.68Å
211	V	96.1	Very high	93.6	Very high	57 Å²	57	59.8 Å²	59.8	35%	0.345	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-43.1	174.5	173.9	0	0	0	0	111	Y207 S215 L454	Y207-V211 HydrophobicContact CD1-CG2 4.38Å; Y207-V211 HydrophobicContact CD2-CG2 4.33Å; Y207-V211 HydrophobicContact CE1-CG2 3.95Å; Y207-V211 HydrophobicContact CE2-CG2 3.93Å; Y207-V211 WeakPolarHBondContact O-CG2 3.4Å; Y207-V211 PolarHBondContact O-N 2.82Å; V211-S215 VanDerWaalsContact O-CB 3.23Å; V211-S215 WeakPolarHBondContact O-CB 3.37Å; V211-S215 PolarHBondContact O-N 2.99Å; V211-S215 PolarHBondContact O-OG 3.37Å; V211-L454 HydrophobicContact CG2-CD2 3.85Å
212	S	96.8	Very high	94.2	Very high	69 Å²	69	63.3 Å²	63.3	48%	0.483	34%	0.342	S	S	.	.	H	α-helix	trans	-63.8	-43.2	179.7	-59.8	0	0	0	0	112.2	Y208 I209 A210 S215 A216	Y208-S212 VanDerWaalsContact O-CB 3.23Å; Y208-S212 WeakPolarHBondContact O-CB 3.39Å; Y208-S212 PolarHBondContact O-N 2.88Å; Y208-S212 PolarHBondContact O-OG 3.39Å; I209-S212 PolarHBondContact O-N 3.09Å; A210-S212 VanDerWaalsContact C-N 3.33Å; A210-S212 PolarHBondContact O-N 2.92Å; S212-S215 WeakPolarHBondContact CA-OG 3.48Å; S212-S215 PolarHBondContact O-OG 2.89Å; S212-A216 VanDerWaalsContact O-CB 3.24Å; S212-A216 WeakPolarHBondContact O-CB 3.4Å; S212-A216 PolarHBondContact O-N 3.41Å
213	I	95.4	Very high	94.7	Very high	59 Å²	59	61.2 Å²	61.2	30%	0.303	33%	0.334	S	S	.	.	H	α-helix	trans	-72.1	-43.9	180	-70	170.7	0	0	0	111.1	I209 A210 S215 A216 L217 I449	I209-I213 HydrophobicContact CG2-CD1 3.71Å; I209-I213 WeakPolarHBondContact O-CG1 3.47Å; I209-I213 PolarHBondContact O-N 2.92Å; A210-I213 PolarHBondContact O-N 2.92Å; I213-S215 VanDerWaalsContact C-N 3.35Å; I213-S215 PolarHBondContact O-N 3.43Å; I213-A216 PolarHBondContact O-N 2.95Å; I213-L217 HydrophobicContact CG2-CD1 4.11Å; I213-L217 HydrophobicContact CG2-CG 4.49Å; I213-L217 WeakPolarHBondContact O-CG 3.31Å; I213-L217 PolarHBondContact O-N 3.5Å; I213-I449 HydrophobicContact CD1-CD1 3.67Å
214	C	95.2	Very high	95	Very high	38 Å²	38	56.7 Å²	56.7	26%	0.257	31%	0.314	S	S	.	.	H	α-helix	trans	-63.7	-41.3	177.9	-66.4	0	0	0	0	111.5	A210 T218	A210-C214 WeakPolarHBondContact O-CB 3.32Å; A210-C214 PolarHBondContact O-N 3.32Å; A210-C214 PolarHBondContact O-SG 3.48Å; C214-T218 WeakPolarHBondContact O-CB 3.29Å; C214-T218 PolarHBondContact O-N 2.86Å; C214-T218 PolarHBondContact O-OG1 3.46Å
215	S	95.7	Very high	95.2	Very high	52 Å²	52	56.9 Å²	56.9	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-66.4	-43	175.2	58.2	0	0	0	0	111.8	V211 S212 I213 L217 T218 I219	V211-S215 VanDerWaalsContact O-CB 3.23Å; V211-S215 WeakPolarHBondContact O-CB 3.37Å; V211-S215 PolarHBondContact O-N 2.99Å; V211-S215 PolarHBondContact O-OG 3.37Å; S212-S215 WeakPolarHBondContact CA-OG 3.48Å; S212-S215 PolarHBondContact O-OG 2.89Å; I213-S215 VanDerWaalsContact C-N 3.35Å; I213-S215 PolarHBondContact O-N 3.43Å; S215-L217 PolarHBondContact O-N 3.44Å; S215-T218 PolarHBondContact O-N 2.95Å; S215-I219 WeakPolarHBondContact O-CB 3.36Å; S215-I219 VanDerWaalsContact O-CG1 3.23Å; S215-I219 WeakPolarHBondContact O-CG1 3.44Å; S215-I219 PolarHBondContact O-N 2.88Å
216	A	96.2	Very high	95.3	Very high	47 Å²	47	55.3 Å²	55.3	39%	0.388	31%	0.31	S	S	.	.	H	α-helix	trans	-59.4	-46.3	175.4	0	0	0	0	0	112.3	S212 I213 T218 I219 L220	S212-A216 VanDerWaalsContact O-CB 3.24Å; S212-A216 WeakPolarHBondContact O-CB 3.4Å; S212-A216 PolarHBondContact O-N 3.41Å; I213-A216 PolarHBondContact O-N 2.95Å; A216-T218 VanDerWaalsContact C-N 3.33Å; A216-T218 PolarHBondContact O-N 3.12Å; A216-I219 PolarHBondContact O-N 3.42Å; A216-L220 VanDerWaalsContact O-CG 3.32Å; A216-L220 WeakPolarHBondContact O-CG 3.47Å; A216-L220 PolarHBondContact O-N 3.36Å
217	L	95.6	Very high	95.4	Very high	25 Å²	25	54.5 Å²	54.5	13%	0.131	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-40.8	175.9	-70	173.9	0	0	0	111.8	I213 S215 L220 V221 Y317 V446 T731	I213-L217 HydrophobicContact CG2-CD1 4.11Å; I213-L217 HydrophobicContact CG2-CG 4.49Å; I213-L217 WeakPolarHBondContact O-CG 3.31Å; I213-L217 PolarHBondContact O-N 3.5Å; S215-L217 PolarHBondContact O-N 3.44Å; L217-L220 PolarHBondContact O-N 3.17Å; L217-V221 WeakPolarHBondContact O-CG2 3.45Å; L217-V221 PolarHBondContact O-N 2.9Å; L217-Y317 HydrophobicContact CD2-CE1 4.13Å; L217-V446 HydrophobicContact CD1-CG2 3.97Å; L217-T731 HydrophobicContact CB-CG2 4.45Å
218	T	95	Very high	95.3	Very high	84 Å²	84	52.4 Å²	52.4	52%	0.515	30%	0.301	S	S	.	.	H	α-helix	trans	-63.8	-45.6	177.1	-56.4	0	0	0	0	111.1	C214 S215 A216 L220 V221 V222	C214-T218 WeakPolarHBondContact O-CB 3.29Å; C214-T218 PolarHBondContact O-N 2.86Å; C214-T218 PolarHBondContact O-OG1 3.46Å; S215-T218 PolarHBondContact O-N 2.95Å; A216-T218 VanDerWaalsContact C-N 3.33Å; A216-T218 PolarHBondContact O-N 3.12Å; T218-L220 VanDerWaalsContact C-N 3.34Å; T218-L220 PolarHBondContact O-N 3.16Å; T218-V221 PolarHBondContact O-N 3.43Å; T218-V222 HydrophobicContact CG2-CG2 4.48Å; T218-V222 WeakPolarHBondContact O-CG2 3.23Å; T218-V222 PolarHBondContact O-N 3.24Å
219	I	96.4	Very high	95.1	Very high	97 Å²	97	50.9 Å²	50.9	50%	0.497	30%	0.3	S	S	.	.	H	α-helix	trans	-60.7	-43.8	176.6	-69.7	164.6	0	0	0	110.5	S215 A216 V221 V222 I223	S215-I219 WeakPolarHBondContact O-CB 3.36Å; S215-I219 VanDerWaalsContact O-CG1 3.23Å; S215-I219 WeakPolarHBondContact O-CG1 3.44Å; S215-I219 PolarHBondContact O-N 2.88Å; A216-I219 PolarHBondContact O-N 3.42Å; I219-V221 VanDerWaalsContact C-N 3.34Å; I219-V221 PolarHBondContact O-N 2.9Å; I219-V222 PolarHBondContact O-N 2.94Å; I219-I223 HydrophobicContact CG2-CD1 3.58Å; I219-I223 HydrophobicContact CG2-CG1 4.23Å; I219-I223 WeakPolarHBondContact O-CB 3.49Å; I219-I223 VanDerWaalsContact O-CG1 3.31Å; I219-I223 WeakPolarHBondContact O-CG1 3.44Å; I219-I223 PolarHBondContact O-N 3.44Å
220	L	95.7	Very high	95	Very high	49 Å²	49	53.3 Å²	53.3	26%	0.257	31%	0.308	S	S	.	.	H	α-helix	trans	-59	-44.7	176.2	-74.6	172.4	0	0	0	111.9	A216 L217 T218 A224 L314 Y317	A216-L220 VanDerWaalsContact O-CG 3.32Å; A216-L220 WeakPolarHBondContact O-CG 3.47Å; A216-L220 PolarHBondContact O-N 3.36Å; L217-L220 PolarHBondContact O-N 3.17Å; T218-L220 VanDerWaalsContact C-N 3.34Å; T218-L220 PolarHBondContact O-N 3.16Å; L220-A224 WeakPolarHBondContact O-CB 3.27Å; L220-A224 PolarHBondContact O-N 2.96Å; L220-L314 HydrophobicContact CD2-CD2 3.68Å; L220-Y317 HydrophobicContact CB-CD1 4.29Å; L220-Y317 HydrophobicContact CB-CG 4.18Å; L220-Y317 HydrophobicContact CD1-CE1 4.37Å; L220-Y317 HydrophobicContact CD1-CE2 4.37Å
221	V	95.6	Very high	94.8	Very high	22 Å²	22	54 Å²	54	13%	0.133	31%	0.312	C	S	.	.	H	α-helix	trans	-64.3	-42.8	176.9	172.5	0	0	0	0	111.4	L217 T218 I219 T225 Y317 L319 T731	L217-V221 WeakPolarHBondContact O-CG2 3.45Å; L217-V221 PolarHBondContact O-N 2.9Å; T218-V221 PolarHBondContact O-N 3.43Å; I219-V221 VanDerWaalsContact C-N 3.34Å; I219-V221 PolarHBondContact O-N 2.9Å; V221-T225 WeakPolarHBondContact O-CB 3.25Å; V221-T225 PolarHBondContact O-N 3.44Å; V221-T225 PolarHBondContact O-OG1 3.5Å; V221-Y317 HydrophobicContact CG2-CD1 4.42Å; V221-L319 HydrophobicContact CG1-CB 4.18Å; V221-T731 HydrophobicContact CG2-CG2 3.97Å
222	V	95.8	Very high	94.5	Very high	83 Å²	83	56.2 Å²	56.2	50%	0.503	32%	0.315	S	S	.	.	H	α-helix	trans	-64.3	-47.4	179	171.3	0	0	0	0	111.1	T218 I219 T225 S226	T218-V222 HydrophobicContact CG2-CG2 4.48Å; T218-V222 WeakPolarHBondContact O-CG2 3.23Å; T218-V222 PolarHBondContact O-N 3.24Å; I219-V222 PolarHBondContact O-N 2.94Å; V222-T225 PolarHBondContact O-N 3.09Å; V222-S226 WeakPolarHBondContact O-CB 3.43Å; V222-S226 PolarHBondContact O-N 3.01Å; V222-S226 PolarHBondContact O-OG 3.5Å
223	I	95.4	Very high	94.3	Very high	72 Å²	72	57.7 Å²	57.7	37%	0.369	32%	0.316	S	S	.	.	H	α-helix	trans	-62.2	-49.2	177.8	-68.4	171.6	0	0	0	110.3	I219 T225 S226 I227	I219-I223 HydrophobicContact CG2-CD1 3.58Å; I219-I223 HydrophobicContact CG2-CG1 4.23Å; I219-I223 WeakPolarHBondContact O-CB 3.49Å; I219-I223 VanDerWaalsContact O-CG1 3.31Å; I219-I223 WeakPolarHBondContact O-CG1 3.44Å; I219-I223 PolarHBondContact O-N 3.44Å; I223-T225 VanDerWaalsContact C-N 3.33Å; I223-T225 PolarHBondContact O-N 3.3Å; I223-S226 PolarHBondContact O-N 3.22Å; I223-I227 HydrophobicContact CG2-CD1 3.82Å; I223-I227 HydrophobicContact CG2-CG1 4.47Å; I223-I227 WeakPolarHBondContact O-CG1 3.27Å; I223-I227 PolarHBondContact O-N 3.24Å
224	A	95.1	Very high	94	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.3	-41.9	-179.1	0	0	0	0	0	112.5	L220 I227 D228 L314	L220-A224 WeakPolarHBondContact O-CB 3.27Å; L220-A224 PolarHBondContact O-N 2.96Å; A224-I227 PolarHBondContact O-N 2.87Å; A224-D228 PolarHBondContact O-N 2.71Å; A224-L314 WeakPolarHBondContact CB-O 3.47Å
225	T	95.4	Very high	93.8	Very high	31 Å²	31	58.8 Å²	58.8	19%	0.19	32%	0.315	C	S	.	.	H	α-helix	trans	-67.3	-40.3	177.3	-57.3	0	0	0	0	110.9	V221 V222 I223 D228 M229 L319 P320	V221-T225 WeakPolarHBondContact O-CB 3.25Å; V221-T225 PolarHBondContact O-N 3.44Å; V221-T225 PolarHBondContact O-OG1 3.5Å; V222-T225 PolarHBondContact O-N 3.09Å; I223-T225 VanDerWaalsContact C-N 3.33Å; I223-T225 PolarHBondContact O-N 3.3Å; T225-D228 PolarHBondContact O-N 2.87Å; T225-M229 HydrophobicContact CG2-CG 4.39Å; T225-M229 WeakPolarHBondContact O-CB 3.15Å; T225-M229 VanDerWaalsContact O-CG 3.23Å; T225-M229 WeakPolarHBondContact O-CG 3.35Å; T225-M229 PolarHBondContact O-N 3.35Å; T225-L319 PolarHBondContact OG1-N 3.01Å; T225-P320 HydrophobicContact CG2-CG 4.1Å
226	S	95	Very high	93.5	Very high	71 Å²	71	62.1 Å²	62.1	50%	0.497	32%	0.32	S	S	.	.	H	α-helix	trans	-63.5	-42.4	176.7	-56.9	0	0	0	0	112.1	V222 I223 M229 F230	V222-S226 WeakPolarHBondContact O-CB 3.43Å; V222-S226 PolarHBondContact O-N 3.01Å; V222-S226 PolarHBondContact O-OG 3.5Å; I223-S226 PolarHBondContact O-N 3.22Å; S226-M229 PolarHBondContact O-N 3.34Å; S226-F230 WeakPolarHBondContact O-CB 3.49Å; S226-F230 PolarHBondContact O-N 2.98Å
227	I	92.4	Very high	93.1	Very high	43 Å²	43	65.6 Å²	65.6	22%	0.221	33%	0.328	C	S	.	.	H	α-helix	trans	-63.1	-48	175.6	-66.3	166.9	0	0	0	110.6	I223 A224 M229 F230 L231 T311 C315	I223-I227 HydrophobicContact CG2-CD1 3.82Å; I223-I227 HydrophobicContact CG2-CG1 4.47Å; I223-I227 WeakPolarHBondContact O-CG1 3.27Å; I223-I227 PolarHBondContact O-N 3.24Å; A224-I227 PolarHBondContact O-N 2.87Å; I227-M229 VanDerWaalsContact C-N 3.32Å; I227-M229 PolarHBondContact O-N 3.47Å; I227-F230 WeakPolarHBondContact O-CB 3.26Å; I227-F230 PolarHBondContact O-N 2.95Å; I227-L231 HydrophobicContact CG2-CD1 4.14Å; I227-L231 HydrophobicContact CG2-CG 4.34Å; I227-L231 WeakPolarHBondContact O-CG 3.43Å; I227-L231 PolarHBondContact O-N 3.3Å; I227-T311 HydrophobicContact CG2-CG2 4.15Å; I227-C315 VanDerWaalsContact CG2-SG 3.53Å
228	D	91.3	Very high	92.7	Very high	5 Å²	5	67.1 Å²	67.1	3%	0.027	34%	0.338	C	S	.	.	H	α-helix	trans	-67.5	-33.4	-179.4	-86.4	-11.9	0	0	0	112.2	A224 T225 L231 Y232 R301 S318 I321	A224-D228 PolarHBondContact O-N 2.71Å; T225-D228 PolarHBondContact O-N 2.87Å; D228-L231 PolarHBondContact O-N 3.5Å; D228-Y232 WeakPolarHBondContact O-CB 3.45Å; D228-Y232 PolarHBondContact O-N 3.41Å; D228-R301 IonicContact OD1-CZ 2.76Å; D228-R301 IonicContact OD1-NE 2.7Å; D228-R301 PolarHBondContact OD1-NE 3.39Å; D228-R301 IonicContact OD1-NH2 3.5Å; D228-R301 IonicContact OD2-CZ 3.89Å; D228-R301 IonicContact OD2-NE 3.07Å; D228-R301 PolarHBondContact OD2-NE 2.88Å; D228-R301 IonicContact OD2-NH2 3.91Å; D228-R301 PolarHBondContact OD2-NH2 2.99Å; D228-S318 WeakPolarHBondContact OD2-CB 3.43Å; D228-S318 PolarHBondContact OD2-OG 2.95Å; D228-I321 WeakPolarHBondContact OD2-CD1 3.48Å
229	M	92.6	Very high	92.2	Very high	96 Å²	96	65.9 Å²	65.9	47%	0.473	33%	0.327	S	S	.	.	H	α-helix	trans	-63	-43.6	170.4	-75.3	-61.5	-63.9	0	0	111.6	T225 S226 I227 Y232 I233	T225-M229 HydrophobicContact CG2-CG 4.39Å; T225-M229 WeakPolarHBondContact O-CB 3.15Å; T225-M229 VanDerWaalsContact O-CG 3.23Å; T225-M229 WeakPolarHBondContact O-CG 3.35Å; T225-M229 PolarHBondContact O-N 3.35Å; S226-M229 PolarHBondContact O-N 3.34Å; I227-M229 VanDerWaalsContact C-N 3.32Å; I227-M229 PolarHBondContact O-N 3.47Å; M229-Y232 WeakPolarHBondContact O-CB 3.47Å; M229-Y232 PolarHBondContact O-N 3.47Å; M229-I233 VanDerWaalsContact O-CG1 3.3Å; M229-I233 WeakPolarHBondContact O-CG1 3.29Å; M229-I233 PolarHBondContact O-N 3.12Å
230	F	93.5	Very high	91.7	Very high	120 Å²	120	64.8 Å²	64.8	53%	0.526	32%	0.322	S	S	.	.	H	α-helix	trans	-62.2	-45.2	174.8	176.3	-96.7	0	0	0	112	S226 I227 Y232 I233 Q234	S226-F230 WeakPolarHBondContact O-CB 3.49Å; S226-F230 PolarHBondContact O-N 2.98Å; I227-F230 WeakPolarHBondContact O-CB 3.26Å; I227-F230 PolarHBondContact O-N 2.95Å; F230-Y232 VanDerWaalsContact C-N 3.27Å; F230-Y232 PolarHBondContact O-N 3.37Å; F230-I233 PolarHBondContact O-N 3.37Å; F230-Q234 HydrophobicContact CD1-CG 4.25Å; F230-Q234 HydrophobicContact CE1-CG 3.79Å; F230-Q234 HydrophobicContact CE2-CG 4.32Å; F230-Q234 HydrophobicContact CZ-CG 3.83Å; F230-Q234 WeakPolarHBondContact O-CG 3.23Å; F230-Q234 PolarHBondContact O-N 3.49Å
231	L	90.4	Very high	91.2	Very high	13 Å²	13	66.4 Å²	66.4	7%	0.068	33%	0.33	C	S	.	.	H	α-helix	trans	-61.8	-37.1	175.9	-68.7	177.9	0	0	0	111.9	I227 D228 Q234 W235 F297 R301 V304	I227-L231 HydrophobicContact CG2-CD1 4.14Å; I227-L231 HydrophobicContact CG2-CG 4.34Å; I227-L231 WeakPolarHBondContact O-CG 3.43Å; I227-L231 PolarHBondContact O-N 3.3Å; D228-L231 PolarHBondContact O-N 3.5Å; L231-Q234 PolarHBondContact O-N 2.93Å; L231-W235 WeakPolarHBondContact O-CB 3.16Å; L231-W235 PolarHBondContact O-N 3.3Å; L231-F297 HydrophobicContact CB-CE2 4.36Å; L231-R301 HydrophobicContact CD1-CG 4.47Å; L231-V304 HydrophobicContact CD2-CG1 3.88Å
232	Y	90.5	Very high	90.5	Very high	105 Å²	105	67.8 Å²	67.8	41%	0.412	34%	0.337	S	S	.	.	H	α-helix	trans	-65.4	-44	175.8	-178.7	-96.6	0	0	0	111.9	D228 M229 F230 Q234 W235 Y236 F297	D228-Y232 WeakPolarHBondContact O-CB 3.45Å; D228-Y232 PolarHBondContact O-N 3.41Å; M229-Y232 WeakPolarHBondContact O-CB 3.47Å; M229-Y232 PolarHBondContact O-N 3.47Å; F230-Y232 VanDerWaalsContact C-N 3.27Å; F230-Y232 PolarHBondContact O-N 3.37Å; Y232-Q234 PolarHBondContact O-N 2.86Å; Y232-W235 HydrophobicContact CD2-CE3 4.16Å; Y232-W235 HydrophobicContact CD2-CZ3 4.45Å; Y232-W235 HydrophobicContact CE2-CE3 4.01Å; Y232-W235 AromaticContact CE2-CZ3 3.86Å; Y232-W235 HydrophobicContact CE2-CZ3 3.86Å; Y232-W235 PolarHBondContact O-N 3Å; Y232-Y236 VanDerWaalsContact O-CB 3.29Å; Y232-Y236 WeakPolarHBondContact O-CB 3.3Å; Y232-Y236 PolarHBondContact O-N 3.36Å; Y232-F297 VanDerWaalsContact CA-CE2 3.46Å; Y232-F297 HydrophobicContact CD2-CD1 4.43Å; Y232-F297 AromaticContact CD2-CD2 3.93Å; Y232-F297 HydrophobicContact CD2-CD2 3.93Å; Y232-F297 HydrophobicContact CD2-CE2 4.06Å; Y232-F297 HydrophobicContact CD2-CG 4.12Å; Y232-F297 HydrophobicContact CD2-CZ 4.34Å; Y232-F297 HydrophobicContact CG-CE2 4.45Å
233	I	92.2	Very high	89.8	Confident	99 Å²	99	71.2 Å²	71.2	51%	0.508	35%	0.345	S	S	.	.	H	α-helix	trans	-61.1	-45.1	175.8	-67.8	164	0	0	0	110.8	M229 F230 Y236 H237	M229-I233 VanDerWaalsContact O-CG1 3.3Å; M229-I233 WeakPolarHBondContact O-CG1 3.29Å; M229-I233 PolarHBondContact O-N 3.12Å; F230-I233 PolarHBondContact O-N 3.37Å; I233-Y236 PolarHBondContact O-N 2.96Å; I233-H237 WeakPolarHBondContact O-CB 3.49Å; I233-H237 PolarHBondContact O-N 2.98Å
234	Q	89.9	Confident	89	Confident	78 Å²	78	75.3 Å²	75.3	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-60.7	-48.4	176.9	-73.2	-67.9	-31	0	0	111.8	F230 L231 Y232 Y236 H237 V238	F230-Q234 HydrophobicContact CD1-CG 4.25Å; F230-Q234 HydrophobicContact CE1-CG 3.79Å; F230-Q234 HydrophobicContact CE2-CG 4.32Å; F230-Q234 HydrophobicContact CZ-CG 3.83Å; F230-Q234 WeakPolarHBondContact O-CG 3.23Å; F230-Q234 PolarHBondContact O-N 3.49Å; L231-Q234 PolarHBondContact O-N 2.93Å; Y232-Q234 PolarHBondContact O-N 2.86Å; Q234-Y236 VanDerWaalsContact C-N 3.34Å; Q234-Y236 PolarHBondContact O-N 3.16Å; Q234-H237 PolarHBondContact O-N 3.45Å; Q234-V238 WeakPolarHBondContact O-CG2 3.38Å; Q234-V238 PolarHBondContact O-N 2.95Å
235	W	89	Confident	88.2	Confident	43 Å²	43	78.8 Å²	78.8	16%	0.163	37%	0.374	C	S	.	.	H	α-helix	trans	-58.8	-45.6	175.8	174.3	76.6	0	0	0	111.9	L231 Y232 H237 V238 Q239 F297 Y300	L231-W235 WeakPolarHBondContact O-CB 3.16Å; L231-W235 PolarHBondContact O-N 3.3Å; Y232-W235 HydrophobicContact CD2-CE3 4.16Å; Y232-W235 HydrophobicContact CD2-CZ3 4.45Å; Y232-W235 HydrophobicContact CE2-CE3 4.01Å; Y232-W235 AromaticContact CE2-CZ3 3.86Å; Y232-W235 HydrophobicContact CE2-CZ3 3.86Å; Y232-W235 PolarHBondContact O-N 3Å; W235-H237 VanDerWaalsContact C-N 3.33Å; W235-H237 PolarHBondContact O-N 2.96Å; W235-V238 PolarHBondContact O-N 3.3Å; W235-Q239 HydrophobicContact CD2-CG 4.18Å; W235-Q239 HydrophobicContact CZ2-CG 3.94Å; W235-Q239 VanDerWaalsContact O-CG 3.32Å; W235-Q239 WeakPolarHBondContact O-CG 3.37Å; W235-Q239 PolarHBondContact O-N 3.46Å; W235-F297 HydrophobicContact CB-CD2 4.04Å; W235-F297 HydrophobicContact CD2-CB 3.97Å; W235-F297 HydrophobicContact CD2-CD2 4.08Å; W235-F297 HydrophobicContact CE3-CB 4.13Å; W235-F297 HydrophobicContact CE3-CD2 4.22Å; W235-F297 HydrophobicContact CG-CD2 4.01Å; W235-F297 HydrophobicContact CH2-CB 4.36Å; W235-F297 HydrophobicContact CZ2-CB 4.21Å; W235-F297 HydrophobicContact CZ3-CB 4.32Å; W235-Y300 HydrophobicContact CB-CD1 3.61Å; W235-Y300 HydrophobicContact CB-CE1 3.8Å; W235-Y300 HydrophobicContact CB-CG 4.12Å; W235-Y300 VanDerWaalsContact CD1-CB 3.48Å; W235-Y300 AromaticContact CD1-CD1 3.96Å; W235-Y300 AromaticContact CD1-CG 3.6Å; W235-Y300 HydrophobicContact CG-CD1 4.09Å; W235-Y300 HydrophobicContact CG-CG 4.18Å
236	Y	89.9	Confident	87.2	Confident	121 Å²	121	80.4 Å²	80.4	48%	0.475	39%	0.385	S	S	.	.	H	α-helix	trans	-61.1	-41.5	178.4	-178.7	-100.8	0	0	0	111.9	Y232 I233 Q234 Q239 N240	Y232-Y236 VanDerWaalsContact O-CB 3.29Å; Y232-Y236 WeakPolarHBondContact O-CB 3.3Å; Y232-Y236 PolarHBondContact O-N 3.36Å; I233-Y236 PolarHBondContact O-N 2.96Å; Q234-Y236 VanDerWaalsContact C-N 3.34Å; Q234-Y236 PolarHBondContact O-N 3.16Å; Y236-Q239 PolarHBondContact O-N 2.88Å; Y236-N240 WeakPolarHBondContact CE1-ND2 3.46Å; Y236-N240 VanDerWaalsContact CZ-ND2 3.3Å; Y236-N240 WeakPolarHBondContact O-CB 3.4Å; Y236-N240 PolarHBondContact O-N 3.22Å; Y236-N240 PolarHBondContact OH-ND2 2.94Å
237	H	89.4	Confident	86.2	Confident	120 Å²	120	78.5 Å²	78.5	56%	0.556	38%	0.376	S	S	*	.	H	α-helix	trans	-65	-43.8	176.5	-168	-71.2	0	0	0	112.1	I233 Q234 W235 Q239 N240 L241	I233-H237 WeakPolarHBondContact O-CB 3.49Å; I233-H237 PolarHBondContact O-N 2.98Å; Q234-H237 PolarHBondContact O-N 3.45Å; W235-H237 VanDerWaalsContact C-N 3.33Å; W235-H237 PolarHBondContact O-N 2.96Å; H237-Q239 VanDerWaalsContact C-N 3.33Å; H237-Q239 PolarHBondContact O-N 3.37Å; H237-N240 PolarHBondContact O-N 3.42Å; H237-L241 WeakPolarHBondContact O-CB 3.34Å; H237-L241 PolarHBondContact O-N 2.98Å
238	V	86.8	Confident	85.2	Confident	57 Å²	57	78.4 Å²	78.4	35%	0.345	38%	0.378	S	S	.	.	H	α-helix	trans	-61.9	-42.3	176.2	171.6	0	0	0	0	110.9	Q234 W235 L241 N242	Q234-V238 WeakPolarHBondContact O-CG2 3.38Å; Q234-V238 PolarHBondContact O-N 2.95Å; W235-V238 PolarHBondContact O-N 3.3Å; V238-L241 PolarHBondContact O-N 2.84Å; V238-N242 WeakPolarHBondContact O-CB 3.29Å; V238-N242 PolarHBondContact O-N 2.91Å; V238-N242 PolarHBondContact O-ND2 3.28Å; V238-N242 PolarHBondContact O-OD1 3.32Å
239	Q	84.7	Confident	84	Confident	59 Å²	59	82.2 Å²	82.2	28%	0.276	40%	0.398	S	S	.	.	H	α-helix	trans	-65	-41.3	176.8	-69.7	-62.6	-23.3	0	0	112.4	W235 Y236 H237 N242 K243 L294	W235-Q239 HydrophobicContact CD2-CG 4.18Å; W235-Q239 HydrophobicContact CZ2-CG 3.94Å; W235-Q239 VanDerWaalsContact O-CG 3.32Å; W235-Q239 WeakPolarHBondContact O-CG 3.37Å; W235-Q239 PolarHBondContact O-N 3.46Å; Y236-Q239 PolarHBondContact O-N 2.88Å; H237-Q239 VanDerWaalsContact C-N 3.33Å; H237-Q239 PolarHBondContact O-N 3.37Å; Q239-N242 PolarHBondContact O-N 3.44Å; Q239-K243 WeakPolarHBondContact O-CB 3.33Å; Q239-K243 PolarHBondContact O-N 3.44Å; Q239-L294 PolarHBondContact NE2-O 2.54Å; Q239-L294 VanDerWaalsContact NE2-O 3.17Å
240	N	84.5	Confident	82.4	Confident	73 Å²	73	84 Å²	84	39%	0.39	41%	0.405	S	S	.	.	H	α-helix	trans	-65.1	-41.6	175.2	-82.9	-2.9	0	0	0	112.2	Y236 H237 K243 Y244	Y236-N240 WeakPolarHBondContact CE1-ND2 3.46Å; Y236-N240 VanDerWaalsContact CZ-ND2 3.3Å; Y236-N240 WeakPolarHBondContact O-CB 3.4Å; Y236-N240 PolarHBondContact O-N 3.22Å; Y236-N240 PolarHBondContact OH-ND2 2.94Å; H237-N240 PolarHBondContact O-N 3.42Å; N240-K243 PolarHBondContact O-N 2.85Å; N240-Y244 PolarHBondContact O-N 3.49Å
241	L	84.9	Confident	80.9	Confident	84 Å²	84	83.9 Å²	83.9	44%	0.44	41%	0.408	S	S	.	.	H	α-helix	trans	-63.8	-44.6	175.8	-174.4	68.8	0	0	0	110.9	H237 V238 K243 Y244 I245	H237-L241 WeakPolarHBondContact O-CB 3.34Å; H237-L241 PolarHBondContact O-N 2.98Å; V238-L241 PolarHBondContact O-N 2.84Å; L241-K243 VanDerWaalsContact C-N 3.31Å; L241-K243 PolarHBondContact O-N 3.49Å; L241-Y244 CarbonylContact O-C 3.28Å; L241-Y244 WeakPolarHBondContact O-CB 3.22Å; L241-Y244 PolarHBondContact O-N 3.26Å; L241-Y244 VanDerWaalsContact O-N 3.12Å; L241-I245 HydrophobicContact CD1-CD1 4.36Å; L241-I245 HydrophobicContact CD2-CD1 4.32Å; L241-I245 HydrophobicContact CG-CD1 3.85Å; L241-I245 HydrophobicContact CG-CG1 4.4Å; L241-I245 WeakPolarHBondContact O-CG1 3.43Å; L241-I245 PolarHBondContact O-N 3.28Å
242	N	82.1	Confident	79.3	Confident	51 Å²	51	86 Å²	86	27%	0.273	42%	0.424	S	S	.	.	H	α-helix	trans	-61.9	-39.9	176.1	-72.1	-10.3	0	0	0	111.7	V238 Q239 Y244 I245 T246	V238-N242 WeakPolarHBondContact O-CB 3.29Å; V238-N242 PolarHBondContact O-N 2.91Å; V238-N242 PolarHBondContact O-ND2 3.28Å; V238-N242 PolarHBondContact O-OD1 3.32Å; Q239-N242 PolarHBondContact O-N 3.44Å; N242-Y244 VanDerWaalsContact C-N 3.32Å; N242-Y244 PolarHBondContact O-N 2.97Å; N242-I245 PolarHBondContact O-N 2.88Å; N242-T246 WeakPolarHBondContact O-CB 3.31Å; N242-T246 WeakPolarHBondContact O-CG2 3.06Å; N242-T246 PolarHBondContact O-N 2.9Å; N242-T246 PolarHBondContact O-OG1 3.48Å
243	K	80.3	Confident	77.6	Confident	154 Å²	154	86.3 Å²	86.3	67%	0.67	43%	0.43	S	S	*	.	H	α-helix	trans	-64	-37.7	173.8	-170.9	178.1	-180	-178.8	0	112	Q239 N240 L241 T246 G247	Q239-K243 WeakPolarHBondContact O-CB 3.33Å; Q239-K243 PolarHBondContact O-N 3.44Å; N240-K243 PolarHBondContact O-N 2.85Å; L241-K243 VanDerWaalsContact C-N 3.31Å; L241-K243 PolarHBondContact O-N 3.49Å; K243-T246 WeakPolarHBondContact CA-OG1 3.06Å; K243-T246 PolarHBondContact O-OG1 2.98Å; K243-T246 VanDerWaalsContact O-OG1 3.09Å; K243-G247 PolarHBondContact O-N 3.42Å
244	Y	78.3	Confident	75.9	Confident	159 Å²	159	89.9 Å²	89.9	62%	0.624	44%	0.437	S	S	*	.	H	α-helix	trans	-67.8	-48.6	174.9	-178.6	-95.6	0	0	0	111.2	N240 L241 N242 T246 G247 T248	N240-Y244 PolarHBondContact O-N 3.49Å; L241-Y244 CarbonylContact O-C 3.28Å; L241-Y244 WeakPolarHBondContact O-CB 3.22Å; L241-Y244 PolarHBondContact O-N 3.26Å; L241-Y244 VanDerWaalsContact O-N 3.12Å; N242-Y244 VanDerWaalsContact C-N 3.32Å; N242-Y244 PolarHBondContact O-N 2.97Å; Y244-T246 PolarHBondContact O-N 3.37Å; Y244-G247 CarbonylContact O-C 3.43Å; Y244-G247 WeakPolarHBondContact O-CA 3.34Å; Y244-G247 PolarHBondContact O-N 3.39Å; Y244-G247 VanDerWaalsContact O-N 3.15Å; Y244-T248 HydrophobicContact CD1-CG2 4.05Å; Y244-T248 HydrophobicContact CD2-CG2 4.44Å; Y244-T248 HydrophobicContact CE1-CG2 3.56Å; Y244-T248 HydrophobicContact CE2-CG2 4Å; Y244-T248 HydrophobicContact CG-CG2 4.47Å; Y244-T248 PolarHBondContact O-N 3.12Å; Y244-T248 PolarHBondContact O-OG1 3.3Å
245	I	79	Confident	74.2	Confident	72 Å²	72	88.5 Å²	88.5	37%	0.369	44%	0.436	S	S	.	.	H	α-helix	trans	-61.1	-47.4	180	-68.4	168.2	0	0	0	110.9	L241 N242 G247 T248 N249	L241-I245 HydrophobicContact CD1-CD1 4.36Å; L241-I245 HydrophobicContact CD2-CD1 4.32Å; L241-I245 HydrophobicContact CG-CD1 3.85Å; L241-I245 HydrophobicContact CG-CG1 4.4Å; L241-I245 WeakPolarHBondContact O-CG1 3.43Å; L241-I245 PolarHBondContact O-N 3.28Å; N242-I245 PolarHBondContact O-N 2.88Å; I245-G247 VanDerWaalsContact C-N 3.33Å; I245-G247 PolarHBondContact O-N 2.94Å; I245-T248 VanDerWaalsContact CA-OG1 3.3Å; I245-T248 WeakPolarHBondContact CA-OG1 3.42Å; I245-T248 PolarHBondContact O-N 3.43Å; I245-T248 PolarHBondContact O-OG1 2.88Å; I245-N249 VanDerWaalsContact O-CB 3.32Å; I245-N249 WeakPolarHBondContact O-CB 3.33Å; I245-N249 PolarHBondContact O-N 3.35Å; I245-N249 PolarHBondContact O-OD1 2.93Å
246	T	74.8	Confident	72.5	Confident	66 Å²	66	89.3 Å²	89.3	41%	0.405	45%	0.448	S	S	.	.	H	α-helix	trans	-61.7	-42.1	174.5	49.5	0	0	0	0	111.3	N242 K243 Y244 N249 H250	N242-T246 WeakPolarHBondContact O-CB 3.31Å; N242-T246 WeakPolarHBondContact O-CG2 3.06Å; N242-T246 PolarHBondContact O-N 2.9Å; N242-T246 PolarHBondContact O-OG1 3.48Å; K243-T246 WeakPolarHBondContact CA-OG1 3.06Å; K243-T246 PolarHBondContact O-OG1 2.98Å; K243-T246 VanDerWaalsContact O-OG1 3.09Å; Y244-T246 PolarHBondContact O-N 3.37Å; T246-N249 PolarHBondContact O-N 2.95Å; T246-H250 PolarHBondContact O-CD2 3.49Å; T246-H250 PolarHBondContact O-N 2.94Å
247	G	73.6	Confident	70.9	Confident	31 Å²	31	88.4 Å²	88.4	32%	0.32	45%	0.45	S	S	.	.	H	α-helix	trans	-60.4	-43.5	173.5	0	0	0	0	0	113.8	K243 Y244 I245 H250 I251	K243-G247 PolarHBondContact O-N 3.42Å; Y244-G247 CarbonylContact O-C 3.43Å; Y244-G247 WeakPolarHBondContact O-CA 3.34Å; Y244-G247 PolarHBondContact O-N 3.39Å; Y244-G247 VanDerWaalsContact O-N 3.15Å; I245-G247 VanDerWaalsContact C-N 3.33Å; I245-G247 PolarHBondContact O-N 2.94Å; G247-H250 PolarHBondContact O-N 3.36Å; G247-I251 VanDerWaalsContact O-CG1 3.32Å; G247-I251 WeakPolarHBondContact O-CG1 3.34Å; G247-I251 PolarHBondContact O-N 3.18Å; G247-I251 VanDerWaalsContact O-N 3.17Å
248	T	71.2	Confident	69.1	Low	41 Å²	41	87.6 Å²	87.6	25%	0.252	45%	0.446	S	S	.	.	H	α-helix	trans	-73.9	-34.5	177.6	47.2	0	0	0	0	113	Y244 I245 H250 I251 S252	Y244-T248 HydrophobicContact CD1-CG2 4.05Å; Y244-T248 HydrophobicContact CD2-CG2 4.44Å; Y244-T248 HydrophobicContact CE1-CG2 3.56Å; Y244-T248 HydrophobicContact CE2-CG2 4Å; Y244-T248 HydrophobicContact CG-CG2 4.47Å; Y244-T248 PolarHBondContact O-N 3.12Å; Y244-T248 PolarHBondContact O-OG1 3.3Å; I245-T248 VanDerWaalsContact CA-OG1 3.3Å; I245-T248 WeakPolarHBondContact CA-OG1 3.42Å; I245-T248 PolarHBondContact O-N 3.43Å; I245-T248 PolarHBondContact O-OG1 2.88Å; T248-H250 VanDerWaalsContact C-N 3.29Å; T248-I251 CarbonylContact O-C 3.06Å; T248-I251 PolarHBondContact O-N 3.43Å; T248-I251 VanDerWaalsContact O-N 3.08Å; T248-S252 PolarHBondContact O-N 3.44Å; T248-S252 PolarHBondContact O-OG 2.86Å
249	N	66.3	Low	67.1	Low	84 Å²	84	89.7 Å²	89.7	45%	0.449	46%	0.456	S	S	.	.	H	α-helix	trans	-64.2	-38.8	173.6	-73.4	-6.6	0	0	0	110.2	I245 T246 I251 S252 E253	I245-N249 VanDerWaalsContact O-CB 3.32Å; I245-N249 WeakPolarHBondContact O-CB 3.33Å; I245-N249 PolarHBondContact O-N 3.35Å; I245-N249 PolarHBondContact O-OD1 2.93Å; T246-N249 PolarHBondContact O-N 2.95Å; N249-I251 VanDerWaalsContact C-N 3.3Å; N249-I251 PolarHBondContact O-N 2.87Å; N249-S252 WeakPolarHBondContact CA-OG 3.4Å; N249-S252 PolarHBondContact O-N 3.3Å; N249-S252 PolarHBondContact O-OG 2.82Å; N249-E253 VanDerWaalsContact O-CB 3.27Å; N249-E253 WeakPolarHBondContact O-CB 3.45Å; N249-E253 WeakPolarHBondContact O-CG 3.48Å; N249-E253 PolarHBondContact O-N 3.11Å
250	H	59.6	Low	65.4	Low	134 Å²	134	91 Å²	91	62%	0.62	47%	0.467	S	S	*	.	H	α-helix	trans	-64.2	-32.3	170.8	-77.8	-55.2	0	0	0	113.2	T246 G247 T248 R254	T246-H250 PolarHBondContact O-CD2 3.49Å; T246-H250 PolarHBondContact O-N 2.94Å; G247-H250 PolarHBondContact O-N 3.36Å; T248-H250 VanDerWaalsContact C-N 3.29Å; H250-R254 VanDerWaalsContact O-CB 3.32Å; H250-R254 WeakPolarHBondContact O-CB 3.44Å; H250-R254 PolarHBondContact O-N 2.82Å; H250-R254 VanDerWaalsContact O-N 3.15Å
251	I	61	Low	63.7	Low	117 Å²	117	93.2 Å²	93.2	60%	0.6	48%	0.48	S	S	*	.	H	α-helix	trans	-76.5	-40.2	175.9	-65.3	163.2	0	0	0	111.4	G247 T248 N249 R254 S255	G247-I251 VanDerWaalsContact O-CG1 3.32Å; G247-I251 WeakPolarHBondContact O-CG1 3.34Å; G247-I251 PolarHBondContact O-N 3.18Å; G247-I251 VanDerWaalsContact O-N 3.17Å; T248-I251 CarbonylContact O-C 3.06Å; T248-I251 PolarHBondContact O-N 3.43Å; T248-I251 VanDerWaalsContact O-N 3.08Å; N249-I251 VanDerWaalsContact C-N 3.3Å; N249-I251 PolarHBondContact O-N 2.87Å; I251-R254 PolarHBondContact O-N 3.3Å; I251-S255 PolarHBondContact O-N 3.19Å; I251-S255 PolarHBondContact O-OG 3.31Å
252	S	56.5	Low	61.6	Low	57 Å²	57	96.7 Å²	96.7	40%	0.399	49%	0.493	S	S	.	.	H	α-helix	trans	-74.5	-33.8	179.4	64.2	0	0	0	0	112.7	T248 N249 R254 S255 S256	T248-S252 PolarHBondContact O-N 3.44Å; T248-S252 PolarHBondContact O-OG 2.86Å; N249-S252 WeakPolarHBondContact CA-OG 3.4Å; N249-S252 PolarHBondContact O-N 3.3Å; N249-S252 PolarHBondContact O-OG 2.82Å; S252-R254 VanDerWaalsContact C-N 3.35Å; S252-S255 WeakPolarHBondContact CA-OG 3.49Å; S252-S255 PolarHBondContact O-N 2.85Å; S252-S255 PolarHBondContact O-OG 3.18Å; S252-S256 WeakPolarHBondContact O-CB 3.08Å; S252-S256 PolarHBondContact O-N 3.33Å; S252-S256 PolarHBondContact O-OG 3.02Å; S252-S256 VanDerWaalsContact O-OG 3.12Å
253	E	56.8	Low	59.5	Low	113 Å²	113	101 Å²	101	53%	0.528	51%	0.514	S	S	.	.	H	α-helix	trans	-64.4	-40.7	166.5	-79.5	177.9	171.8	0	0	110.7	N249 S256 I257	N249-E253 VanDerWaalsContact O-CB 3.27Å; N249-E253 WeakPolarHBondContact O-CB 3.45Å; N249-E253 WeakPolarHBondContact O-CG 3.48Å; N249-E253 PolarHBondContact O-N 3.11Å; E253-S256 WeakPolarHBondContact CA-OG 3.4Å; E253-S256 PolarHBondContact O-OG 3.2Å; E253-I257 WeakPolarHBondContact O-CB 3.39Å; E253-I257 VanDerWaalsContact O-CD1 3.26Å; E253-I257 WeakPolarHBondContact O-CD1 3.4Å; E253-I257 WeakPolarHBondContact O-CG1 3.28Å; E253-I257 PolarHBondContact O-N 3.03Å
254	R	55.2	Low	57.4	Low	174 Å²	174	101.8 Å²	101.8	66%	0.657	52%	0.521	S	S	*	.	H	α-helix	trans	-63.7	-42.8	174	178.8	177.5	-92.9	-170.8	-9.2	111.7	H250 I251 S252 I257 E258	H250-R254 VanDerWaalsContact O-CB 3.32Å; H250-R254 WeakPolarHBondContact O-CB 3.44Å; H250-R254 PolarHBondContact O-N 2.82Å; H250-R254 VanDerWaalsContact O-N 3.15Å; I251-R254 PolarHBondContact O-N 3.3Å; S252-R254 VanDerWaalsContact C-N 3.35Å; R254-I257 PolarHBondContact O-N 3.25Å; R254-E258 WeakPolarHBondContact O-CB 3.43Å; R254-E258 WeakPolarHBondContact O-CG 3.36Å; R254-E258 PolarHBondContact O-N 3.05Å
255	S	54.7	Low	55.2	Low	49 Å²	49	102.6 Å²	102.6	34%	0.343	53%	0.53	S	S	.	.	H	α-helix	trans	-75	-28.7	-179.8	69.9	0	0	0	0	113.5	I251 S252 E258 N259	I251-S255 PolarHBondContact O-N 3.19Å; I251-S255 PolarHBondContact O-OG 3.31Å; S252-S255 WeakPolarHBondContact CA-OG 3.49Å; S252-S255 PolarHBondContact O-N 2.85Å; S252-S255 PolarHBondContact O-OG 3.18Å; S255-E258 PolarHBondContact O-N 3.32Å; S255-N259 WeakPolarHBondContact O-CB 3.31Å; S255-N259 PolarHBondContact O-N 3.05Å
256	S	53.6	Low	52.8	Low	59 Å²	59	107.6 Å²	107.6	41%	0.413	55%	0.552	S	S	.	*	H	α-helix	trans	-70.8	-38.9	170.6	65.4	0	0	0	0	111.1	S252 E253 E258 N259 V260	S252-S256 WeakPolarHBondContact O-CB 3.08Å; S252-S256 PolarHBondContact O-N 3.33Å; S252-S256 PolarHBondContact O-OG 3.02Å; S252-S256 VanDerWaalsContact O-OG 3.12Å; E253-S256 WeakPolarHBondContact CA-OG 3.4Å; E253-S256 PolarHBondContact O-OG 3.2Å; S256-E258 VanDerWaalsContact C-N 3.33Å; S256-N259 PolarHBondContact O-N 3.26Å; S256-V260 WeakPolarHBondContact O-CB 3.27Å; S256-V260 WeakPolarHBondContact O-CG2 3.4Å; S256-V260 PolarHBondContact O-N 3.16Å
257	I	55.7	Low	50.3	Low	102 Å²	102	110 Å²	110	52%	0.523	57%	0.567	S	S	.	*	H	α-helix	trans	-61.8	-42.5	170.3	-66.9	163.4	0	0	0	110.2	E253 R254 N261	E253-I257 WeakPolarHBondContact O-CB 3.39Å; E253-I257 VanDerWaalsContact O-CD1 3.26Å; E253-I257 WeakPolarHBondContact O-CD1 3.4Å; E253-I257 WeakPolarHBondContact O-CG1 3.28Å; E253-I257 PolarHBondContact O-N 3.03Å; R254-I257 PolarHBondContact O-N 3.25Å; I257-N261 WeakPolarHBondContact O-CB 3.32Å; I257-N261 PolarHBondContact O-N 2.96Å; I257-N261 VanDerWaalsContact O-N 3.09Å; I257-N261 PolarHBondContact O-ND2 3.2Å; I257-N261 VanDerWaalsContact O-ND2 3.13Å; I257-N261 PolarHBondContact O-OD1 2.92Å
258	E	52	Low	48	Very low	103 Å²	103	116.9 Å²	116.9	48%	0.481	59%	0.59	S	S	.	*	H	α-helix	trans	-67	-37.3	176	-74.8	170.4	-174	0	0	113.1	R254 S255 S256 N261 H262	R254-E258 WeakPolarHBondContact O-CB 3.43Å; R254-E258 WeakPolarHBondContact O-CG 3.36Å; R254-E258 PolarHBondContact O-N 3.05Å; S255-E258 PolarHBondContact O-N 3.32Å; S256-E258 VanDerWaalsContact C-N 3.33Å; E258-N261 WeakPolarHBondContact O-CB 3.32Å; E258-N261 PolarHBondContact O-N 3.45Å; E258-H262 PolarHBondContact O-CD2 3.01Å; E258-H262 VanDerWaalsContact O-CD2 3.25Å; E258-H262 PolarHBondContact O-N 3.48Å
259	N	44.2	Very low	46.4	Very low	102 Å²	102	119.6 Å²	119.6	55%	0.545	61%	0.609	S	S	.	*	H	α-helix	trans	-75.2	-34.3	177.6	-79.6	-12.2	0	0	0	113.2	S255 S256 N261 H262 I263	S255-N259 WeakPolarHBondContact O-CB 3.31Å; S255-N259 PolarHBondContact O-N 3.05Å; S256-N259 PolarHBondContact O-N 3.26Å; N259-N261 PolarHBondContact O-N 2.95Å; N259-H262 PolarHBondContact O-N 2.9Å; N259-H262 VanDerWaalsContact O-N 3.1Å; N259-I263 PolarHBondContact O-N 3.22Å
260	V	49.4	Very low	44.4	Very low	85 Å²	85	123 Å²	123	52%	0.515	63%	0.626	S	S	.	*	H	α-helix	trans	-62.5	-38.8	169.9	170.1	0	0	0	0	109.6	S256 H262 I263	S256-V260 WeakPolarHBondContact O-CB 3.27Å; S256-V260 WeakPolarHBondContact O-CG2 3.4Å; S256-V260 PolarHBondContact O-N 3.16Å; V260-H262 PolarHBondContact O-N 3.47Å; V260-I263 PolarHBondContact O-N 3.23Å
261	N	48.1	Very low	42.8	Very low	121 Å²	121	123.5 Å²	123.5	65%	0.647	63%	0.632	S	S	*	*	H	α-helix	trans	-67.7	-12.9	174.9	-64.5	-17.6	0	0	0	113.8	I257 E258 N259	I257-N261 WeakPolarHBondContact O-CB 3.32Å; I257-N261 PolarHBondContact O-N 2.96Å; I257-N261 VanDerWaalsContact O-N 3.09Å; I257-N261 PolarHBondContact O-ND2 3.2Å; I257-N261 VanDerWaalsContact O-ND2 3.13Å; I257-N261 PolarHBondContact O-OD1 2.92Å; E258-N261 WeakPolarHBondContact O-CB 3.32Å; E258-N261 PolarHBondContact O-N 3.45Å; N259-N261 PolarHBondContact O-N 2.95Å
262	H	40.6	Very low	41	Very low	157 Å²	157	126.5 Å²	126.5	73%	0.727	64%	0.643	S	S	*	*	H	α-helix	trans	-104.5	-10.3	-179.5	-86.9	-59.1	0	0	0	115.3	E258 N259 V260	E258-H262 PolarHBondContact O-CD2 3.01Å; E258-H262 VanDerWaalsContact O-CD2 3.25Å; E258-H262 PolarHBondContact O-N 3.48Å; N259-H262 PolarHBondContact O-N 2.9Å; N259-H262 VanDerWaalsContact O-N 3.1Å; V260-H262 PolarHBondContact O-N 3.47Å
263	I	38.8	Very low	39.5	Very low	140 Å²	140	128.9 Å²	128.9	72%	0.718	66%	0.66	S	S	*	*	H	α-helix	trans	-113.1	-9.4	-176.5	-63.5	178.2	0	0	0	113.5	N259 V260 E265	N259-I263 PolarHBondContact O-N 3.22Å; V260-I263 PolarHBondContact O-N 3.23Å; I263-E265 VanDerWaalsContact C-N 3.29Å; I263-E265 PolarHBondContact O-N 3.49Å
264	E	35.6	Very low	37.9	Very low	172 Å²	172	131.2 Å²	131.2	80%	0.804	68%	0.676	S	S	*	*			trans	-93.5	51.8	173.1	-70.4	-174.3	169.1	0	0	113.2
265	E	31.9	Very low	36.5	Very low	176 Å²	176	126.5 Å²	126.5	82%	0.822	68%	0.682	S	S	*	*			trans	-110.1	94.7	145.1	-96.8	-172.6	169.8	0	0	106.8	I263	I263-E265 VanDerWaalsContact C-N 3.29Å; I263-E265 PolarHBondContact O-N 3.49Å
266	Q	28.2	Very low	35.3	Very low	177 Å²	177	131 Å²	131	83%	0.827	70%	0.701	S	S	*	*			trans	152.3	96.8	146.4	-80.5	164.1	13.1	0	0	112
267	T	24.2	Very low	34	Very low	117 Å²	117	134.5 Å²	134.5	72%	0.718	72%	0.719	S	S	*	*			trans	3.5	116.7	134.8	46.8	0	0	0	0	117.7
268	H	24.9	Very low	32.8	Very low	174 Å²	174	135.2 Å²	135.2	81%	0.806	72%	0.724	S	S	*	*				170.1	152.8	105.6	-98.1	-75.6	0	0	0	111.8
269	P	37.3	Very low	31.8	Very low	99 Å²	99	135.6 Å²	135.6	64%	0.643	73%	0.729	S	S	*	*			trans	-84.2	162.9	-176	36.5	-31.7	0	0	0	110.8
270	L	24.6	Very low	31.3	Very low	154 Å²	154	136.3 Å²	136.3	81%	0.806	73%	0.733	S	S	*	*			trans	165.7	128.4	134.6	-85	157.3	0	0	0	111.7
271	I	24.7	Very low	30.6	Very low	145 Å²	145	139.2 Å²	139.2	74%	0.744	74%	0.741	S	S	*	*			trans	80.7	129.7	138.6	-60.2	165.8	0	0	0	119.8
272	E	23.6	Very low	29.9	Very low	181 Å²	181	140.4 Å²	140.4	85%	0.846	74%	0.743	S	S	*	*			trans	-45.3	140.5	165.7	-62.7	162.3	135.3	0	0	115
273	S	25.4	Very low	29.4	Very low	106 Å²	106	142.7 Å²	142.7	74%	0.741	75%	0.745	S	S	*	*				-170.4	122.7	129.1	68.2	0	0	0	0	111.5
274	D	23.5	Very low	29.2	Very low	162 Å²	162	140.7 Å²	140.7	87%	0.866	73%	0.733	S	S	*	*			trans	31.6	121.9	137.6	-63.4	-30.4	0	0	0	121.5
275	G	26	Very low	28.9	Very low	76 Å²	76	137.1 Å²	137.1	78%	0.784	72%	0.719	S	S	*	*				79.5	77.3	121.4	0	0	0	0	0	118.4
276	I	28.5	Very low	29	Very low	144 Å²	144	134.3 Å²	134.3	74%	0.738	71%	0.714	S	S	*	*			trans	-133.1	99.8	147.1	-56.2	179.6	0	0	0	108.4	N278	I276-N278 VanDerWaalsContact C-N 3.28Å; I276-N278 WeakPolarHBondContact CG2-OD1 3.34Å; I276-N278 PolarHBondContact O-N 3.14Å
277	V	27.2	Very low	29.2	Very low	132 Å²	132	135.5 Å²	135.5	80%	0.8	71%	0.711	S	S	*	*			trans	-66.4	90.5	163.8	177.2	0	0	0	0	107
278	N	30.1	Very low	29.5	Very low	117 Å²	117	136.5 Å²	136.5	63%	0.626	71%	0.705	S	S	*	*			trans	-82.3	117.3	164.7	-82.9	-25.6	0	0	0	107.8	I276 D280	I276-N278 VanDerWaalsContact C-N 3.28Å; I276-N278 WeakPolarHBondContact CG2-OD1 3.34Å; I276-N278 PolarHBondContact O-N 3.14Å; N278-D280 PolarHBondContact O-N 3.35Å
279	N	29.9	Very low	30.1	Very low	111 Å²	111	135 Å²	135	59%	0.594	70%	0.701	S	S	*	*			trans	-61.1	79.6	174.7	-89.2	-16	0	0	0	111	Q281	N279-Q281 VanDerWaalsContact C-N 3.26Å; N279-Q281 PolarHBondContact O-N 3.31Å
280	D	35.7	Very low	30.3	Very low	116 Å²	116	137.3 Å²	137.3	62%	0.62	71%	0.708	S	S	*	*	H	α-helix	trans	-73.9	-19.8	173.3	-74.8	-32.9	0	0	0	112	N278 E282 R283 E284	N278-D280 PolarHBondContact O-N 3.35Å; D280-E282 PolarHBondContact O-N 3.31Å; D280-R283 PolarHBondContact O-N 3.01Å; D280-E284 WeakPolarHBondContact O-CB 3.45Å; D280-E284 PolarHBondContact O-N 2.96Å
281	Q	32.8	Very low	31	Very low	146 Å²	146	137.2 Å²	137.2	68%	0.682	70%	0.704	S	S	*	*	H	α-helix	trans	-68.4	-30.6	-178.2	-98.3	164.9	-30.1	0	0	114.3	N279 N285	N279-Q281 VanDerWaalsContact C-N 3.26Å; N279-Q281 PolarHBondContact O-N 3.31Å; Q281-N285 WeakPolarHBondContact O-CB 3.14Å; Q281-N285 PolarHBondContact O-N 3.47Å; Q281-N285 PolarHBondContact O-ND2 3.34Å
282	E	33.5	Very low	32	Very low	147 Å²	147	139.5 Å²	139.5	69%	0.687	71%	0.708	S	S	*	*	H	α-helix	trans	-74.3	-34.1	175.5	-79.6	-172.9	151.5	0	0	112.2	D280 V286	D280-E282 PolarHBondContact O-N 3.31Å; E282-V286 WeakPolarHBondContact O-CG2 3.41Å; E282-V286 PolarHBondContact O-N 2.87Å
283	R	31.9	Very low	33.4	Very low	204 Å²	204	136.7 Å²	136.7	77%	0.77	70%	0.695	S	S	*	*	H	α-helix	trans	-72.9	-34.6	173.3	-80.7	-176.2	174.1	-172.3	-0.1	112.4	D280 R287	D280-R283 PolarHBondContact O-N 3.01Å; R283-R287 PolarHBondContact O-N 3.4Å; R283-R287 VanDerWaalsContact O-N 3.14Å
284	E	33.1	Very low	34.9	Very low	99 Å²	99	133.9 Å²	133.9	46%	0.463	67%	0.671	S	S	.	*	H	α-helix	trans	-72.1	-35.1	178.6	-132.7	-171.1	-158.4	0	0	112.6	D280 R287 K288	D280-E284 WeakPolarHBondContact O-CB 3.45Å; D280-E284 PolarHBondContact O-N 2.96Å; E284-R287 PolarHBondContact O-N 3.32Å; E284-K288 WeakPolarHBondContact O-CG 3.19Å; E284-K288 PolarHBondContact O-N 3.41Å; E284-K288 IonicContact OE1-NZ 3.12Å; E284-K288 IonicContact OE2-NZ 2.98Å; E284-K288 PolarHBondContact OE2-NZ 2.93Å
285	N	30.7	Very low	37	Very low	97 Å²	97	130.8 Å²	130.8	52%	0.519	66%	0.658	S	S	.	*	H	α-helix	trans	-72.6	-29.2	177.7	-73.6	-20.1	0	0	0	112.8	Q281	Q281-N285 WeakPolarHBondContact O-CB 3.14Å; Q281-N285 PolarHBondContact O-N 3.47Å; Q281-N285 PolarHBondContact O-ND2 3.34Å
286	V	33.7	Very low	39.7	Very low	117 Å²	117	130 Å²	130	71%	0.709	64%	0.639	S	S	*	*	H	α-helix	trans	-73.4	-32	169.3	178.1	0	0	0	0	111.3	E282	E282-V286 WeakPolarHBondContact O-CG2 3.41Å; E282-V286 PolarHBondContact O-N 2.87Å
287	R	32.2	Very low	42.4	Very low	202 Å²	202	125 Å²	125	76%	0.762	61%	0.611	S	S	*	*	H	α-helix	trans	-72.4	-35.6	175.3	-90	-176.7	178.7	179.7	-1	114.2	R283 E284 I289	R283-R287 PolarHBondContact O-N 3.4Å; R283-R287 VanDerWaalsContact O-N 3.14Å; E284-R287 PolarHBondContact O-N 3.32Å; R287-I289 VanDerWaalsContact C-N 3.3Å; R287-I289 PolarHBondContact O-N 3.44Å
288	K	31.1	Very low	45.1	Very low	138 Å²	138	122.6 Å²	122.6	60%	0.6	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-13.5	-173.4	-82.1	169.8	176.5	159	0	115.1	E284	E284-K288 WeakPolarHBondContact O-CG 3.19Å; E284-K288 PolarHBondContact O-N 3.41Å; E284-K288 IonicContact OE1-NZ 3.12Å; E284-K288 IonicContact OE2-NZ 2.98Å; E284-K288 PolarHBondContact OE2-NZ 2.93Å
289	I	37.3	Very low	47.6	Very low	141 Å²	141	121.2 Å²	121.2	72%	0.723	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-21.9	-175.4	-65.1	177.5	0	0	0	113.4	R287	R287-I289 VanDerWaalsContact C-N 3.3Å; R287-I289 PolarHBondContact O-N 3.44Å
290	D	40.3	Very low	50.2	Low	149 Å²	149	118.2 Å²	118.2	80%	0.797	57%	0.565	S	S	*	*	S	Bend	trans	-111.1	-0.2	-170.8	-88.8	-25	0	0	0	117	K292	D290-K292 PolarHBondContact O-N 2.93Å
291	E	39.4	Very low	52.6	Low	152 Å²	152	113.9 Å²	113.9	71%	0.71	54%	0.54	S	S	*	.			trans	-93.5	17.9	-175.7	-103.7	-177.1	-167.7	0	0	116.3	H293	E291-H293 PolarHBondContact O-N 3.07Å
292	K	46.4	Very low	55.1	Low	193 Å²	193	112.5 Å²	112.5	84%	0.839	53%	0.531	S	S	*	.			trans	-72.4	81.8	165.7	-145	176.1	-168	175	0	108.2	D290 L294	D290-K292 PolarHBondContact O-N 2.93Å; K292-L294 VanDerWaalsContact C-N 3.35Å; K292-L294 PolarHBondContact O-N 3.36Å
293	H	51.9	Low	57.4	Low	122 Å²	122	107.7 Å²	107.7	57%	0.565	51%	0.514	S	S	*	.			trans	-50.8	94.6	177.8	-80.7	-32.5	0	0	0	110.7	E291 T295	E291-H293 PolarHBondContact O-N 3.07Å; H293-T295 VanDerWaalsContact C-N 3.28Å; H293-T295 HydrophobicContact CB-CG2 4.5Å; H293-T295 PolarHBondContact O-N 3.35Å
294	L	57.2	Low	59.9	Low	47 Å²	47	100 Å²	100	25%	0.246	49%	0.49	C	S	.	.			trans	-82.4	82.5	178.8	-137.2	56.7	0	0	0	107.3	Q239 K292 T296 E299 Y300 S303	Q239-L294 PolarHBondContact NE2-O 2.54Å; Q239-L294 VanDerWaalsContact NE2-O 3.17Å; K292-L294 VanDerWaalsContact C-N 3.35Å; K292-L294 PolarHBondContact O-N 3.36Å; L294-T296 VanDerWaalsContact C-N 3.26Å; L294-T296 PolarHBondContact O-N 3.11Å; L294-E299 HydrophobicContact CD1-CB 3.78Å; L294-E299 HydrophobicContact CG-CB 3.67Å; L294-Y300 HydrophobicContact CD2-CD2 4.19Å; L294-S303 WeakPolarHBondContact CD2-OG 3.37Å
295	T	68.9	Low	62.3	Low	97 Å²	97	95.6 Å²	95.6	60%	0.595	47%	0.469	S	S	*	.			trans	-62.8	-31.3	-167.5	60.9	0	0	0	0	112.8	H293	H293-T295 VanDerWaalsContact C-N 3.28Å; H293-T295 HydrophobicContact CB-CG2 4.5Å; H293-T295 PolarHBondContact O-N 3.35Å
296	T	81.4	Confident	64.6	Low	60 Å²	60	96.3 Å²	96.3	37%	0.368	47%	0.47	S	S	.	.	S	Bend	trans	-109.6	143.7	-177.8	67.9	0	0	0	0	112.7	L294 N298 E299 Y300	L294-T296 VanDerWaalsContact C-N 3.26Å; L294-T296 PolarHBondContact O-N 3.11Å; T296-N298 PolarHBondContact O-N 3.41Å; T296-E299 PolarHBondContact N-OE2 3.42Å; T296-E299 PolarHBondContact O-N 3.41Å; T296-E299 VanDerWaalsContact O-N 3.14Å; T296-E299 WeakPolarHBondContact OG1-CG 3.27Å; T296-E299 PolarHBondContact OG1-N 3.11Å; T296-E299 PolarHBondContact OG1-OE2 3.2Å; T296-Y300 PolarHBondContact O-N 2.86Å; T296-Y300 VanDerWaalsContact O-N 3.16Å
297	F	85.4	Confident	66.8	Low	38 Å²	38	99.4 Å²	99.4	17%	0.167	47%	0.473	C	S	.	.	H	α-helix	trans	-54.8	-35.6	173.7	172.2	-111.6	0	0	0	112.5	L231 Y232 W235 E299 Y300 R301 I321	L231-F297 HydrophobicContact CB-CE2 4.36Å; Y232-F297 VanDerWaalsContact CA-CE2 3.46Å; Y232-F297 HydrophobicContact CD2-CD1 4.43Å; Y232-F297 AromaticContact CD2-CD2 3.93Å; Y232-F297 HydrophobicContact CD2-CD2 3.93Å; Y232-F297 HydrophobicContact CD2-CE2 4.06Å; Y232-F297 HydrophobicContact CD2-CG 4.12Å; Y232-F297 HydrophobicContact CD2-CZ 4.34Å; Y232-F297 HydrophobicContact CG-CE2 4.45Å; W235-F297 HydrophobicContact CB-CD2 4.04Å; W235-F297 HydrophobicContact CD2-CB 3.97Å; W235-F297 HydrophobicContact CD2-CD2 4.08Å; W235-F297 HydrophobicContact CE3-CB 4.13Å; W235-F297 HydrophobicContact CE3-CD2 4.22Å; W235-F297 HydrophobicContact CG-CD2 4.01Å; W235-F297 HydrophobicContact CH2-CB 4.36Å; W235-F297 HydrophobicContact CZ2-CB 4.21Å; W235-F297 HydrophobicContact CZ3-CB 4.32Å; F297-E299 PolarHBondContact O-N 3.02Å; F297-Y300 PolarHBondContact O-N 2.93Å; F297-R301 HydrophobicContact CZ-CB 4.42Å; F297-R301 VanDerWaalsContact O-CB 3.24Å; F297-R301 WeakPolarHBondContact O-CB 3.28Å; F297-R301 PolarHBondContact O-N 2.9Å; F297-I321 HydrophobicContact CE1-CD1 4.29Å
298	N	84.4	Confident	69.2	Low	82 Å²	82	97.8 Å²	97.8	44%	0.439	47%	0.467	S	S	.	.	H	α-helix	trans	-65	-39.2	179.2	-74.1	-31.5	0	0	0	112.7	T296 K302	T296-N298 PolarHBondContact O-N 3.41Å; N298-K302 VanDerWaalsContact O-CB 3.29Å; N298-K302 WeakPolarHBondContact O-CB 3.46Å; N298-K302 PolarHBondContact O-N 3.47Å
299	E	82.8	Confident	71.7	Confident	88 Å²	88	97.7 Å²	97.7	41%	0.411	47%	0.472	S	S	.	.	H	α-helix	trans	-68.5	-43.3	176	-71.8	166.1	157.8	0	0	111.2	L294 T296 F297 K302 S303	L294-E299 HydrophobicContact CD1-CB 3.78Å; L294-E299 HydrophobicContact CG-CB 3.67Å; T296-E299 PolarHBondContact N-OE2 3.42Å; T296-E299 PolarHBondContact O-N 3.41Å; T296-E299 VanDerWaalsContact O-N 3.14Å; T296-E299 WeakPolarHBondContact OG1-CG 3.27Å; T296-E299 PolarHBondContact OG1-N 3.11Å; T296-E299 PolarHBondContact OG1-OE2 3.2Å; F297-E299 PolarHBondContact O-N 3.02Å; E299-K302 PolarHBondContact O-N 2.99Å; E299-S303 PolarHBondContact O-N 3.4Å
300	Y	84	Confident	73.9	Confident	47 Å²	47	97 Å²	97	18%	0.184	47%	0.469	C	S	.	.	H	α-helix	trans	-59.3	-48.7	174	177.4	-95.4	0	0	0	112.8	W235 L294 T296 F297 K302 S303 V304	W235-Y300 HydrophobicContact CB-CD1 3.61Å; W235-Y300 HydrophobicContact CB-CE1 3.8Å; W235-Y300 HydrophobicContact CB-CG 4.12Å; W235-Y300 VanDerWaalsContact CD1-CB 3.48Å; W235-Y300 AromaticContact CD1-CD1 3.96Å; W235-Y300 AromaticContact CD1-CG 3.6Å; W235-Y300 HydrophobicContact CG-CD1 4.09Å; W235-Y300 HydrophobicContact CG-CG 4.18Å; L294-Y300 HydrophobicContact CD2-CD2 4.19Å; T296-Y300 PolarHBondContact O-N 2.86Å; T296-Y300 VanDerWaalsContact O-N 3.16Å; F297-Y300 PolarHBondContact O-N 2.93Å; Y300-K302 VanDerWaalsContact C-N 3.29Å; Y300-K302 PolarHBondContact O-N 2.63Å; Y300-S303 PolarHBondContact O-N 3.44Å; Y300-S303 PolarHBondContact O-OG 3.42Å; Y300-V304 HydrophobicContact CE1-CG2 4.12Å; Y300-V304 HydrophobicContact CE2-CG2 4.22Å; Y300-V304 WeakPolarHBondContact O-CG2 3.45Å; Y300-V304 PolarHBondContact O-N 3.18Å; Y300-V304 VanDerWaalsContact O-N 3.12Å
301	R	85.6	Confident	76	Confident	26 Å²	26	91.4 Å²	91.4	10%	0.098	44%	0.44	C	S	.	.	H	α-helix	trans	-58.8	-43.4	174.9	179.4	173.9	177	-96.6	9.3	111.5	D228 L231 F297 V304 L305 C315	D228-R301 IonicContact OD1-CZ 2.76Å; D228-R301 IonicContact OD1-NE 2.7Å; D228-R301 PolarHBondContact OD1-NE 3.39Å; D228-R301 IonicContact OD1-NH2 3.5Å; D228-R301 IonicContact OD2-CZ 3.89Å; D228-R301 IonicContact OD2-NE 3.07Å; D228-R301 PolarHBondContact OD2-NE 2.88Å; D228-R301 IonicContact OD2-NH2 3.91Å; D228-R301 PolarHBondContact OD2-NH2 2.99Å; L231-R301 HydrophobicContact CD1-CG 4.47Å; F297-R301 HydrophobicContact CZ-CB 4.42Å; F297-R301 VanDerWaalsContact O-CB 3.24Å; F297-R301 WeakPolarHBondContact O-CB 3.28Å; F297-R301 PolarHBondContact O-N 2.9Å; R301-V304 PolarHBondContact O-N 3.16Å; R301-L305 HydrophobicContact CG-CD1 3.66Å; R301-L305 HydrophobicContact CG-CG 4.15Å; R301-L305 WeakPolarHBondContact O-CB 3.28Å; R301-L305 WeakPolarHBondContact O-CG 3.47Å; R301-L305 PolarHBondContact O-N 3.47Å; R301-C315 PolarHBondContact NH2-O 3.11Å
302	K	85.4	Confident	78.2	Confident	116 Å²	116	86.2 Å²	86.2	50%	0.504	42%	0.415	S	S	.	.	H	α-helix	trans	-62.8	-44.1	179.5	-173.8	-179.1	172.2	-167.6	0	111.7	N298 E299 Y300 V304 L305 E306	N298-K302 VanDerWaalsContact O-CB 3.29Å; N298-K302 WeakPolarHBondContact O-CB 3.46Å; N298-K302 PolarHBondContact O-N 3.47Å; E299-K302 PolarHBondContact O-N 2.99Å; Y300-K302 VanDerWaalsContact C-N 3.29Å; Y300-K302 PolarHBondContact O-N 2.63Å; K302-V304 VanDerWaalsContact C-N 3.32Å; K302-V304 PolarHBondContact O-N 3.08Å; K302-L305 PolarHBondContact O-N 3.4Å; K302-E306 WeakPolarHBondContact CE-OE1 3.12Å; K302-E306 HydrophobicContact CG-CG 4.39Å; K302-E306 WeakPolarHBondContact O-CB 3.42Å; K302-E306 VanDerWaalsContact O-CG 3.31Å; K302-E306 WeakPolarHBondContact O-CG 3.33Å; K302-E306 PolarHBondContact O-N 3.05Å
303	S	83	Confident	80.2	Confident	46 Å²	46	80.9 Å²	80.9	32%	0.322	40%	0.395	S	S	.	.	H	α-helix	trans	-64.5	-36	179.7	72.5	0	0	0	0	112.7	L294 E299 Y300	L294-S303 WeakPolarHBondContact CD2-OG 3.37Å; E299-S303 PolarHBondContact O-N 3.4Å; Y300-S303 PolarHBondContact O-N 3.44Å; Y300-S303 PolarHBondContact O-OG 3.42Å
304	V	83.4	Confident	82	Confident	43 Å²	43	77 Å²	77	26%	0.261	38%	0.379	S	S	.	.	H	α-helix	trans	-72.4	-45.3	175.6	177.1	0	0	0	0	111.3	L231 Y300 R301 K302 E306 K307	L231-V304 HydrophobicContact CD2-CG1 3.88Å; Y300-V304 HydrophobicContact CE1-CG2 4.12Å; Y300-V304 HydrophobicContact CE2-CG2 4.22Å; Y300-V304 WeakPolarHBondContact O-CG2 3.45Å; Y300-V304 PolarHBondContact O-N 3.18Å; Y300-V304 VanDerWaalsContact O-N 3.12Å; R301-V304 PolarHBondContact O-N 3.16Å; K302-V304 VanDerWaalsContact C-N 3.32Å; K302-V304 PolarHBondContact O-N 3.08Å; V304-E306 PolarHBondContact O-N 3.25Å; V304-K307 PolarHBondContact O-N 3.03Å
305	L	83.2	Confident	83.6	Confident	6 Å²	6	74.9 Å²	74.9	3%	0.031	37%	0.368	C	S	.	.	H	α-helix	trans	-70.8	-28.1	-177.5	-69.8	180	0	0	0	113.5	R301 K302 K307 R308 T311 K312 C315	R301-L305 HydrophobicContact CG-CD1 3.66Å; R301-L305 HydrophobicContact CG-CG 4.15Å; R301-L305 WeakPolarHBondContact O-CB 3.28Å; R301-L305 WeakPolarHBondContact O-CG 3.47Å; R301-L305 PolarHBondContact O-N 3.47Å; K302-L305 PolarHBondContact O-N 3.4Å; L305-K307 PolarHBondContact O-N 3.25Å; L305-R308 PolarHBondContact O-N 3.29Å; L305-T311 HydrophobicContact CD2-CG2 3.71Å; L305-K312 HydrophobicContact CB-CB 4.44Å; L305-C315 HydrophobicContact CD1-CB 4.09Å; L305-C315 HydrophobicContact CD2-CB 4.05Å
306	E	79.6	Confident	84.6	Confident	113 Å²	113	70.3 Å²	70.3	53%	0.528	34%	0.34	S	S	.	.	H	α-helix	trans	-61.8	-26.2	176.1	-82.5	177.9	175.6	0	0	112.7	K302 V304	K302-E306 WeakPolarHBondContact CE-OE1 3.12Å; K302-E306 HydrophobicContact CG-CG 4.39Å; K302-E306 WeakPolarHBondContact O-CB 3.42Å; K302-E306 VanDerWaalsContact O-CG 3.31Å; K302-E306 WeakPolarHBondContact O-CG 3.33Å; K302-E306 PolarHBondContact O-N 3.05Å; V304-E306 PolarHBondContact O-N 3.25Å
307	K	79.3	Confident	85.3	Confident	182 Å²	182	69.1 Å²	69.1	79%	0.791	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-16.6	178.2	-61.4	-178.4	-178.7	-178.2	0	113.9	V304 L305	V304-K307 PolarHBondContact O-N 3.03Å; L305-K307 PolarHBondContact O-N 3.25Å
308	R	82.6	Confident	85.7	Confident	167 Å²	167	67.3 Å²	67.3	63%	0.63	32%	0.32	S	S	*	.			trans	-137.9	101.3	-170	-64	-174.5	-178.1	-174.3	1	112.8	L305 L310 T311 K312	L305-R308 PolarHBondContact O-N 3.29Å; R308-L310 PolarHBondContact O-N 3.44Å; R308-T311 WeakPolarHBondContact CB-OG1 3.44Å; R308-T311 PolarHBondContact O-N 3.4Å; R308-K312 WeakPolarHBondContact O-CB 3.25Å; R308-K312 PolarHBondContact O-N 3Å
309	I	83.4	Confident	86.2	Confident	137 Å²	137	66 Å²	66	70%	0.703	31%	0.313	S	S	*	.	H	α-helix	trans	-59.2	-48.4	-177.4	-61	169.7	0	0	0	112.2	T311 K312 I313	I309-T311 PolarHBondContact O-N 2.83Å; I309-K312 WeakPolarHBondContact O-CB 3.36Å; I309-K312 PolarHBondContact O-N 3Å; I309-I313 HydrophobicContact CG2-CD1 4.31Å; I309-I313 PolarHBondContact O-N 3.21Å; I309-I313 VanDerWaalsContact O-N 3.1Å
310	L	84.4	Confident	86.7	Confident	125 Å²	125	64.8 Å²	64.8	65%	0.654	31%	0.313	S	S	*	.	H	α-helix	trans	-63.2	-45.1	-178	-176.9	64.8	0	0	0	111.9	R308 K312 I313 L314	R308-L310 PolarHBondContact O-N 3.44Å; L310-K312 PolarHBondContact O-N 3.03Å; L310-I313 PolarHBondContact O-N 2.68Å; L310-L314 HydrophobicContact CG-CD1 4.31Å; L310-L314 PolarHBondContact O-N 3.37Å
311	T	84.9	Confident	87	Confident	32 Å²	32	63 Å²	63	20%	0.196	31%	0.307	C	S	.	.	H	α-helix	trans	-60.3	-37.9	176	-47.4	0	0	0	0	111	I227 L305 R308 I309 I313 L314 C315	I227-T311 HydrophobicContact CG2-CG2 4.15Å; L305-T311 HydrophobicContact CD2-CG2 3.71Å; R308-T311 WeakPolarHBondContact CB-OG1 3.44Å; R308-T311 PolarHBondContact O-N 3.4Å; I309-T311 PolarHBondContact O-N 2.83Å; T311-I313 PolarHBondContact O-N 3.28Å; T311-L314 PolarHBondContact O-N 3.25Å; T311-C315 VanDerWaalsContact O-CB 3.24Å; T311-C315 WeakPolarHBondContact O-CB 3.36Å; T311-C315 PolarHBondContact O-N 2.95Å; T311-C315 PolarHBondContact O-SG 3.4Å; T311-C315 VanDerWaalsContact O-SG 3.35Å
312	K	85.6	Confident	87.4	Confident	44 Å²	44	61.8 Å²	61.8	19%	0.191	30%	0.302	C	S	.	.	H	α-helix	trans	-64.6	-36.8	177.2	-174.3	177	177.4	-178.5	0	113.3	L305 R308 I309 L310 A316 Y742	L305-K312 HydrophobicContact CB-CB 4.44Å; R308-K312 WeakPolarHBondContact O-CB 3.25Å; R308-K312 PolarHBondContact O-N 3Å; I309-K312 WeakPolarHBondContact O-CB 3.36Å; I309-K312 PolarHBondContact O-N 3Å; L310-K312 PolarHBondContact O-N 3.03Å; K312-A316 PolarHBondContact O-N 2.9Å; K312-Y742 HydrophobicContact CD-CE1 4.4Å; K312-Y742 HydrophobicContact CD-CE2 4.23Å; K312-Y742 HydrophobicContact CG-CD2 4.3Å; K312-Y742 HydrophobicContact CG-CE2 3.7Å
313	I	87.7	Confident	87.9	Confident	80 Å²	80	57.9 Å²	57.9	41%	0.41	29%	0.288	S	S	.	.	H	α-helix	trans	-68.9	-48	174.4	-66	170.7	0	0	0	110.2	I309 L310 T311 A316 L739	I309-I313 HydrophobicContact CG2-CD1 4.31Å; I309-I313 PolarHBondContact O-N 3.21Å; I309-I313 VanDerWaalsContact O-N 3.1Å; L310-I313 PolarHBondContact O-N 2.68Å; T311-I313 PolarHBondContact O-N 3.28Å; I313-A316 WeakPolarHBondContact O-CB 3.35Å; I313-A316 PolarHBondContact O-N 3.33Å; I313-A316 VanDerWaalsContact O-N 3.16Å; I313-L739 HydrophobicContact CB-CD2 4.24Å; I313-L739 HydrophobicContact CG1-CD2 4.2Å; I313-L739 HydrophobicContact CG2-CD2 3.97Å
314	L	89.6	Confident	88.3	Confident	42 Å²	42	60.2 Å²	60.2	22%	0.22	30%	0.295	C	S	.	.	H	α-helix	trans	-60.5	-49.7	178.9	-70.1	170.2	0	0	0	111.5	L220 A224 L310 T311 A316 Y317	L220-L314 HydrophobicContact CD2-CD2 3.68Å; A224-L314 WeakPolarHBondContact CB-O 3.47Å; L310-L314 HydrophobicContact CG-CD1 4.31Å; L310-L314 PolarHBondContact O-N 3.37Å; T311-L314 PolarHBondContact O-N 3.25Å; L314-A316 PolarHBondContact O-N 3.3Å; L314-Y317 PolarHBondContact O-N 3.06Å
315	C	90.6	Very high	88.7	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.014	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-63.3	-6.7	178.4	-74.1	0	0	0	0	114.2	I227 R301 L305 T311 Y317 S318	I227-C315 VanDerWaalsContact CG2-SG 3.53Å; R301-C315 PolarHBondContact NH2-O 3.11Å; L305-C315 HydrophobicContact CD1-CB 4.09Å; L305-C315 HydrophobicContact CD2-CB 4.05Å; T311-C315 VanDerWaalsContact O-CB 3.24Å; T311-C315 WeakPolarHBondContact O-CB 3.36Å; T311-C315 PolarHBondContact O-N 2.95Å; T311-C315 PolarHBondContact O-SG 3.4Å; T311-C315 VanDerWaalsContact O-SG 3.35Å; C315-Y317 PolarHBondContact O-N 2.87Å; C315-S318 WeakPolarHBondContact O-CB 3.45Å; C315-S318 PolarHBondContact O-N 3.02Å
316	A	91.4	Very high	89.2	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.008	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-65.9	-27.4	168.8	0	0	0	0	0	112.2	K312 I313 L314 S318 N322 P735 T738 L739	K312-A316 PolarHBondContact O-N 2.9Å; I313-A316 WeakPolarHBondContact O-CB 3.35Å; I313-A316 PolarHBondContact O-N 3.33Å; I313-A316 VanDerWaalsContact O-N 3.16Å; L314-A316 PolarHBondContact O-N 3.3Å; A316-S318 VanDerWaalsContact C-N 3.31Å; A316-S318 PolarHBondContact O-N 3.25Å; A316-N322 PolarHBondContact O-ND2 2.88Å; A316-P735 HydrophobicContact CB-CB 4.5Å; A316-P735 WeakPolarHBondContact O-CA 3.45Å; A316-T738 HydrophobicContact CB-CG2 4.24Å; A316-L739 HydrophobicContact CB-CD2 3.81Å; A316-L739 HydrophobicContact CB-CG 3.89Å
317	Y	94.4	Very high	89.8	Confident	34 Å²	34	58.9 Å²	58.9	13%	0.133	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-86.7	5.5	179.1	-72.2	-94.7	0	0	0	114.3	L217 L220 V221 L314 C315 L319 T731 P735 L739	L217-Y317 HydrophobicContact CD2-CE1 4.13Å; L220-Y317 HydrophobicContact CB-CD1 4.29Å; L220-Y317 HydrophobicContact CB-CG 4.18Å; L220-Y317 HydrophobicContact CD1-CE1 4.37Å; L220-Y317 HydrophobicContact CD1-CE2 4.37Å; V221-Y317 HydrophobicContact CG2-CD1 4.42Å; L314-Y317 PolarHBondContact O-N 3.06Å; C315-Y317 PolarHBondContact O-N 2.87Å; Y317-L319 PolarHBondContact O-N 3.09Å; Y317-T731 VanDerWaalsContact CE1-O 3.3Å; Y317-T731 WeakPolarHBondContact CE1-O 3.28Å; Y317-P735 HydrophobicContact CD1-CB 3.71Å; Y317-P735 HydrophobicContact CD1-CG 3.54Å; Y317-P735 HydrophobicContact CD2-CB 4.02Å; Y317-P735 HydrophobicContact CE1-CB 3.67Å; Y317-P735 HydrophobicContact CE1-CG 3.8Å; Y317-P735 HydrophobicContact CE2-CB 3.98Å; Y317-P735 HydrophobicContact CG-CB 3.88Å; Y317-P735 HydrophobicContact CG-CG 4Å; Y317-L739 HydrophobicContact CE2-CD1 4.39Å
318	S	94.6	Very high	90.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.27	C	S	.	.			trans	-64.4	122.2	-178.4	173.3	0	0	0	0	112.5	D228 C315 A316 N322	D228-S318 WeakPolarHBondContact OD2-CB 3.43Å; D228-S318 PolarHBondContact OD2-OG 2.95Å; C315-S318 WeakPolarHBondContact O-CB 3.45Å; C315-S318 PolarHBondContact O-N 3.02Å; A316-S318 VanDerWaalsContact C-N 3.31Å; A316-S318 PolarHBondContact O-N 3.25Å; S318-N322 WeakPolarHBondContact O-CB 3.27Å; S318-N322 VanDerWaalsContact O-CG 3.27Å; S318-N322 PolarHBondContact O-N 3.35Å; S318-N322 VanDerWaalsContact O-N 3.15Å; S318-N322 PolarHBondContact O-ND2 2.82Å
319	L	94.8	Very high	90.1	Very high	55 Å²	55	51.2 Å²	51.2	29%	0.288	27%	0.273	S	S	.	.	H	α-helix	trans	-65.3	-53.9	-176.6	-173.7	67.7	0	0	0	112	V221 T225 Y317 I321 N322 T323 Y726 M730	V221-L319 HydrophobicContact CG1-CB 4.18Å; T225-L319 PolarHBondContact OG1-N 3.01Å; Y317-L319 PolarHBondContact O-N 3.09Å; L319-I321 PolarHBondContact O-N 3.48Å; L319-I321 VanDerWaalsContact O-N 3.11Å; L319-N322 PolarHBondContact O-N 3.16Å; L319-N322 VanDerWaalsContact O-N 3.14Å; L319-T323 WeakPolarHBondContact O-CB 3.29Å; L319-T323 PolarHBondContact O-N 3.09Å; L319-T323 PolarHBondContact O-OG1 2.92Å; L319-Y726 HydrophobicContact CD1-CE1 4.29Å; L319-Y726 WeakPolarHBondContact CD1-OH 3.5Å; L319-M730 HydrophobicContact CD1-CB 3.77Å; L319-M730 HydrophobicContact CD1-CG 3.58Å; L319-M730 HydrophobicContact CD1-SD 4.1Å
320	P	92.7	Very high	89.3	Confident	62 Å²	62	51.3 Å²	51.3	40%	0.403	26%	0.264	S	S	.	.	H	α-helix	trans	-56.1	-37.7	-175.3	-25.8	34.9	0	0	0	113.6	T225 M324	T225-P320 HydrophobicContact CG2-CG 4.1Å; P320-M324 WeakPolarHBondContact O-CB 3.45Å; P320-M324 PolarHBondContact O-N 2.91Å
321	I	90.9	Very high	87.9	Confident	10 Å²	10	53.4 Å²	53.4	5%	0.051	27%	0.273	C	S	.	.	H	α-helix	trans	-77.3	-40.7	-177.9	-65.8	-177.2	0	0	0	111.4	D228 F297 L319 T323 M324 K325	D228-I321 WeakPolarHBondContact OD2-CD1 3.48Å; F297-I321 HydrophobicContact CE1-CD1 4.29Å; L319-I321 PolarHBondContact O-N 3.48Å; L319-I321 VanDerWaalsContact O-N 3.11Å; I321-T323 VanDerWaalsContact C-N 3.32Å; I321-M324 PolarHBondContact O-N 3.4Å; I321-K325 WeakPolarHBondContact O-CG 3.47Å; I321-K325 PolarHBondContact O-N 3.13Å
322	N	94.5	Very high	86.2	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.7	-36.5	175.8	-70.1	-21	0	0	0	110.9	A316 S318 L319 K325 L326 M730 Y734	A316-N322 PolarHBondContact O-ND2 2.88Å; S318-N322 WeakPolarHBondContact O-CB 3.27Å; S318-N322 VanDerWaalsContact O-CG 3.27Å; S318-N322 PolarHBondContact O-N 3.35Å; S318-N322 VanDerWaalsContact O-N 3.15Å; S318-N322 PolarHBondContact O-ND2 2.82Å; L319-N322 PolarHBondContact O-N 3.16Å; L319-N322 VanDerWaalsContact O-N 3.14Å; N322-K325 WeakPolarHBondContact O-CB 3.39Å; N322-K325 PolarHBondContact O-N 2.72Å; N322-K325 PolarHBondContact OD1-NZ 3Å; N322-L326 WeakPolarHBondContact O-CB 3.49Å; N322-L326 PolarHBondContact O-N 3.3Å; N322-M730 HydrophobicContact CB-SD 3.55Å; N322-M730 VanDerWaalsContact CB-SD 3.55Å; N322-Y734 HydrophobicContact CB-CG 4.35Å
323	T	94.9	Very high	84	Confident	35 Å²	35	62 Å²	62	22%	0.215	32%	0.315	C	S	.	.	H	α-helix	trans	-64.1	-42.5	170.2	-51.3	0	0	0	0	111.6	L319 I321 K325 L326 C327 Y726	L319-T323 WeakPolarHBondContact O-CB 3.29Å; L319-T323 PolarHBondContact O-N 3.09Å; L319-T323 PolarHBondContact O-OG1 2.92Å; I321-T323 VanDerWaalsContact C-N 3.32Å; T323-K325 VanDerWaalsContact C-N 3.34Å; T323-K325 PolarHBondContact O-N 2.8Å; T323-L326 WeakPolarHBondContact O-CB 3.26Å; T323-L326 PolarHBondContact O-N 3.47Å; T323-C327 PolarHBondContact O-N 3.38Å; T323-C327 PolarHBondContact O-SG 3.14Å; T323-C327 VanDerWaalsContact O-SG 3.4Å; T323-Y726 HydrophobicContact CG2-CE2 4.32Å; T323-Y726 PolarHBondContact OG1-OH 3.45Å
324	M	92.2	Very high	81.5	Confident	94 Å²	94	65 Å²	65	46%	0.463	33%	0.332	S	S	.	.	H	α-helix	trans	-61.1	-42.4	174.2	-172.7	-178.5	72.3	0	0	111.3	P320 I321 C327 A328	P320-M324 WeakPolarHBondContact O-CB 3.45Å; P320-M324 PolarHBondContact O-N 2.91Å; I321-M324 PolarHBondContact O-N 3.4Å; M324-C327 PolarHBondContact O-N 3.16Å; M324-A328 WeakPolarHBondContact O-CA 3.26Å; M324-A328 VanDerWaalsContact O-CB 3.31Å; M324-A328 WeakPolarHBondContact O-CB 3.38Å; M324-A328 PolarHBondContact O-N 2.94Å
325	K	91.3	Very high	79	Confident	68 Å²	68	72.6 Å²	72.6	30%	0.296	36%	0.363	S	S	.	.	H	α-helix	trans	-62.6	-40.8	173.5	-71.4	172	-170	158.8	0	112	I321 N322 T323 C327 A328 R679 Y734 T738	I321-K325 WeakPolarHBondContact O-CG 3.47Å; I321-K325 PolarHBondContact O-N 3.13Å; N322-K325 WeakPolarHBondContact O-CB 3.39Å; N322-K325 PolarHBondContact O-N 2.72Å; N322-K325 PolarHBondContact OD1-NZ 3Å; T323-K325 VanDerWaalsContact C-N 3.34Å; T323-K325 PolarHBondContact O-N 2.8Å; K325-C327 VanDerWaalsContact C-N 3.32Å; K325-C327 PolarHBondContact O-N 3.48Å; K325-A328 PolarHBondContact O-N 2.91Å; K325-R679 PolarHBondContact O-NH1 3.24Å; K325-Y734 HydrophobicContact CB-CD1 4.3Å; K325-Y734 HydrophobicContact CB-CE1 4.26Å; K325-T738 PolarHBondContact NZ-OG1 3.05Å
326	L	93	Very high	76.5	Confident	3 Å²	3	77.8 Å²	77.8	2%	0.016	40%	0.4	C	S	.	.	H	α-helix	trans	-60.3	-42.2	175.3	171.3	67.3	0	0	0	111.1	N322 T323 V676 R679 L680 Y726 M730 Y734	N322-L326 WeakPolarHBondContact O-CB 3.49Å; N322-L326 PolarHBondContact O-N 3.3Å; T323-L326 WeakPolarHBondContact O-CB 3.26Å; T323-L326 PolarHBondContact O-N 3.47Å; L326-V676 HydrophobicContact CD1-CG1 4.23Å; L326-V676 HydrophobicContact CD2-CG1 4Å; L326-V676 HydrophobicContact CG-CG1 4.09Å; L326-R679 HydrophobicContact CD1-CB 3.65Å; L326-R679 WeakPolarHBondContact O-CD 3.39Å; L326-R679 PolarHBondContact O-NH1 3.41Å; L326-L680 HydrophobicContact CD1-CD2 3.99Å; L326-L680 HydrophobicContact CD1-CG 4.02Å; L326-L680 HydrophobicContact CD2-CD1 4.35Å; L326-L680 HydrophobicContact CD2-CD2 4.24Å; L326-L680 HydrophobicContact CD2-CG 4.46Å; L326-Y726 HydrophobicContact CD2-CD2 3.78Å; L326-Y726 HydrophobicContact CD2-CE2 3.89Å; L326-M730 HydrophobicContact CB-CE 4.12Å; L326-M730 HydrophobicContact CD2-CE 3.91Å; L326-Y734 HydrophobicContact CB-CE1 4.26Å; L326-Y734 HydrophobicContact CD1-CE2 4.38Å; L326-Y734 WeakPolarHBondContact CD1-OH 3.29Å
327	C	92.9	Very high	74	Confident	63 Å²	63	80.9 Å²	80.9	43%	0.426	42%	0.421	S	S	.	.	H	α-helix	trans	-82.2	-20.3	-179.7	-65.8	0	0	0	0	114	T323 M324 K325 Q329 R675	T323-C327 PolarHBondContact O-N 3.38Å; T323-C327 PolarHBondContact O-SG 3.14Å; T323-C327 VanDerWaalsContact O-SG 3.4Å; M324-C327 PolarHBondContact O-N 3.16Å; K325-C327 VanDerWaalsContact C-N 3.32Å; K325-C327 PolarHBondContact O-N 3.48Å; C327-Q329 PolarHBondContact O-N 3.09Å; C327-R675 PolarHBondContact O-NH1 2.04Å
328	A	88	Confident	71.5	Confident	44 Å²	44	91.5 Å²	91.5	36%	0.364	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-56.1	136	-174	0	0	0	0	0	112.3	M324 K325 R679	M324-A328 WeakPolarHBondContact O-CA 3.26Å; M324-A328 VanDerWaalsContact O-CB 3.31Å; M324-A328 WeakPolarHBondContact O-CB 3.38Å; M324-A328 PolarHBondContact O-N 2.94Å; K325-A328 PolarHBondContact O-N 2.91Å; A328-R679 PolarHBondContact O-NH1 3.24Å; A328-R679 PolarHBondContact O-NH2 3.2Å
329	Q	80.7	Confident	69.2	Low	145 Å²	145	93.8 Å²	93.8	68%	0.678	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-63.1	141.3	169.1	-71.8	-176.7	5.2	0	0	109.3	C327 M331	C327-Q329 PolarHBondContact O-N 3.09Å; Q329-M331 PolarHBondContact O-N 3.3Å; Q329-M331 VanDerWaalsContact O-N 3.15Å
330	R	67.2	Low	67.3	Low	138 Å²	138	98.3 Å²	98.3	52%	0.521	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-64.9	117.2	164.9	-78.3	-175.2	-178	152.3	7.6	105.6	E332	R330-E332 PolarHBondContact O-N 3.46Å
331	M	54	Low	65.9	Low	169 Å²	169	99.5 Å²	99.5	83%	0.833	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-64.4	121.4	165.4	-64	-179	72.8	0	0	105.6	Q329 D333	Q329-M331 PolarHBondContact O-N 3.3Å; Q329-M331 VanDerWaalsContact O-N 3.15Å; M331-D333 PolarHBondContact O-N 3.29Å; M331-D333 VanDerWaalsContact O-N 3.08Å
332	E	48.5	Very low	65.2	Low	141 Å²	141	100.3 Å²	100.3	66%	0.659	50%	0.496	S	S	*	.			trans	-64.3	107.3	162.4	-70.1	-178.1	169.1	0	0	104.4	R330 D334	R330-E332 PolarHBondContact O-N 3.46Å; E332-D334 PolarHBondContact O-N 2.83Å
333	D	41.2	Very low	64.6	Low	117 Å²	117	101.7 Å²	101.7	63%	0.626	51%	0.506	S	S	*	.			trans	-53.9	113.6	176.5	-79.9	-29	0	0	0	107.4	M331 K335	M331-D333 PolarHBondContact O-N 3.29Å; M331-D333 VanDerWaalsContact O-N 3.08Å; D333-K335 PolarHBondContact O-N 3.43Å
334	D	34.5	Very low	64.4	Low	142 Å²	142	100.8 Å²	100.8	76%	0.759	50%	0.5	S	S	*	.			trans	-56.9	105.2	175.5	-88.2	-44.5	0	0	0	108.9	E332 S336	E332-D334 PolarHBondContact O-N 2.83Å; D334-S336 VanDerWaalsContact C-N 3.28Å; D334-S336 PolarHBondContact O-N 2.82Å
335	K	37.4	Very low	64.3	Low	202 Å²	202	98.3 Å²	98.3	88%	0.878	49%	0.49	S	S	*	.	S	Bend	trans	52.7	13.9	149.6	-63.4	-179.2	179.3	173.4	0	119.7	D333	D333-K335 PolarHBondContact O-N 3.43Å
336	S	36.7	Very low	64.4	Low	111 Å²	111	95.1 Å²	95.1	78%	0.776	48%	0.476	S	S	*	.			trans	-96.5	6.2	-173.4	82	0	0	0	0	116.7	D334	D334-S336 VanDerWaalsContact C-N 3.28Å; D334-S336 PolarHBondContact O-N 2.82Å
337	S	39.1	Very low	64.5	Low	65 Å²	65	95.1 Å²	95.1	46%	0.455	48%	0.476	S	S	.	.	S	Bend	trans	-138.9	143.6	170.1	62.6	0	0	0	0	110.2	T339	S337-T339 PolarHBondContact O-N 3.5Å; S337-T339 PolarHBondContact OG-OG1 3.41Å
338	R	42	Very low	64.6	Low	258 Å²	258	92.7 Å²	92.7	97%	0.974	46%	0.459	S	S	*	.	S	Bend	trans	-55.7	-3.7	179.2	-87	179.2	172.8	172	-2.7	114.8	Y340	R338-Y340 PolarHBondContact O-N 2.94Å
339	T	47.9	Very low	65	Low	48 Å²	48	90.6 Å²	90.6	29%	0.294	44%	0.441	S	S	.	.	S	Bend	trans	-74	109.7	169.1	9.8	0	0	0	0	109.6	S337 N341 Y583	S337-T339 PolarHBondContact O-N 3.5Å; S337-T339 PolarHBondContact OG-OG1 3.41Å; T339-N341 VanDerWaalsContact C-N 3.34Å; T339-N341 PolarHBondContact O-N 3.21Å; T339-Y583 HydrophobicContact CG2-CE2 4.34Å
340	Y	53.4	Low	65.8	Low	150 Å²	150	84.8 Å²	84.8	59%	0.588	42%	0.415	S	S	*	.			trans	-54.5	103.6	157.7	-73.3	-87.3	0	0	0	107.2	R338 I342 Y410 P586	R338-Y340 PolarHBondContact O-N 2.94Å; Y340-I342 VanDerWaalsContact C-N 3.27Å; Y340-I342 PolarHBondContact O-N 3.4Å; Y340-Y410 PolarHBondContact O-OH 3.08Å; Y340-P586 HydrophobicContact CD2-CG 4.31Å
341	N	64	Low	67.2	Low	86 Å²	86	80.8 Å²	80.8	46%	0.46	40%	0.4	S	S	.	.			trans	-69.1	89.3	177.4	-79.7	-20.2	0	0	0	108	T339 S343	T339-N341 VanDerWaalsContact C-N 3.34Å; T339-N341 PolarHBondContact O-N 3.21Å; N341-S343 PolarHBondContact O-N 3.38Å
342	I	75.9	Confident	69.2	Low	27 Å²	27	73 Å²	73	14%	0.138	36%	0.361	C	S	.	.			trans	-64.5	123.6	173.3	-63.8	170.8	0	0	0	107	Y340 L344 Y410 L582 P586 A658	Y340-I342 VanDerWaalsContact C-N 3.27Å; Y340-I342 PolarHBondContact O-N 3.4Å; I342-L344 HydrophobicContact CG2-CD2 4.06Å; I342-L344 PolarHBondContact O-N 2.93Å; I342-Y410 PolarHBondContact N-OH 3.13Å; I342-L582 HydrophobicContact CD1-CD2 4.46Å; I342-P586 HydrophobicContact CD1-CB 3.82Å; I342-P586 HydrophobicContact CG1-CB 4.43Å; I342-A658 HydrophobicContact CG2-CB 4.1Å; I342-A658 VanDerWaalsContact CG2-O 3.26Å; I342-A658 WeakPolarHBondContact CG2-O 3.28Å
343	S	82.8	Confident	71.5	Confident	30 Å²	30	70.4 Å²	70.4	21%	0.21	35%	0.351	C	S	.	.			trans	-70.1	103.7	177.6	-164.9	0	0	0	0	109.7	N341 T345 Y666	N341-S343 PolarHBondContact O-N 3.38Å; S343-T345 PolarHBondContact O-N 2.71Å; S343-T345 WeakPolarHBondContact OG-CG2 3.24Å; S343-T345 PolarHBondContact OG-OG1 3.18Å; S343-Y666 PolarHBondContact OG-OH 3.13Å
344	L	89.4	Confident	74.1	Confident	16 Å²	16	65 Å²	65	8%	0.084	32%	0.322	C	S	.	.			trans	-92.1	29.4	176.3	-62.8	176.6	0	0	0	112	I342 F346 L347 L406 L407 Y410 L582 A658	I342-L344 HydrophobicContact CG2-CD2 4.06Å; I342-L344 PolarHBondContact O-N 2.93Å; L344-F346 VanDerWaalsContact C-N 3.28Å; L344-F346 HydrophobicContact CD2-CE1 3.92Å; L344-F346 HydrophobicContact CD2-CZ 4.21Å; L344-F346 PolarHBondContact O-N 3Å; L344-L347 HydrophobicContact CB-CD1 3.89Å; L344-L347 HydrophobicContact CB-CG 4.21Å; L344-L347 HydrophobicContact CD1-CD1 4.3Å; L344-L347 HydrophobicContact CG-CD1 4.49Å; L344-L347 WeakPolarHBondContact O-CB 3.25Å; L344-L347 WeakPolarHBondContact O-CG 2.93Å; L344-L347 PolarHBondContact O-N 2.95Å; L344-L406 HydrophobicContact CD1-CD2 4.21Å; L344-L407 HydrophobicContact CD1-CD2 3.8Å; L344-Y410 HydrophobicContact CD1-CD1 4.08Å; L344-Y410 HydrophobicContact CD1-CE1 4.14Å; L344-L582 HydrophobicContact CD2-CD1 4.5Å; L344-A658 HydrophobicContact CD2-CB 4.01Å
345	T	90.6	Very high	77	Confident	41 Å²	41	58.3 Å²	58.3	25%	0.252	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-29.9	-176.7	50	0	0	0	0	112.9	S343 L347 D348 Y666	S343-T345 PolarHBondContact O-N 2.71Å; S343-T345 WeakPolarHBondContact OG-CG2 3.24Å; S343-T345 PolarHBondContact OG-OG1 3.18Å; T345-L347 PolarHBondContact O-N 3.02Å; T345-D348 VanDerWaalsContact O-CB 3.28Å; T345-D348 WeakPolarHBondContact O-CB 3.24Å; T345-D348 PolarHBondContact O-N 2.68Å; T345-Y666 PolarHBondContact OG1-OH 3.45Å
346	F	93.7	Very high	79.8	Confident	1 Å²	1	51.6 Å²	51.6	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-20.7	175	71.5	-86.3	0	0	0	113.8	L344 D348 G349 I350 V654 C657 A658 Y666 F669 A670	L344-F346 VanDerWaalsContact C-N 3.28Å; L344-F346 HydrophobicContact CD2-CE1 3.92Å; L344-F346 HydrophobicContact CD2-CZ 4.21Å; L344-F346 PolarHBondContact O-N 3Å; F346-D348 PolarHBondContact O-N 3.42Å; F346-G349 PolarHBondContact O-N 3.19Å; F346-I350 HydrophobicContact CD2-CD1 3.91Å; F346-I350 HydrophobicContact CE2-CD1 4.1Å; F346-I350 PolarHBondContact O-N 2.87Å; F346-V654 HydrophobicContact CE2-CB 4.37Å; F346-V654 HydrophobicContact CE2-CG1 4Å; F346-V654 HydrophobicContact CE2-CG2 4.26Å; F346-V654 HydrophobicContact CZ-CG1 3.96Å; F346-C657 HydrophobicContact CD2-CB 4.15Å; F346-C657 HydrophobicContact CE1-CB 4.18Å; F346-C657 HydrophobicContact CE2-CB 3.79Å; F346-C657 HydrophobicContact CG-CB 4.49Å; F346-C657 HydrophobicContact CZ-CB 3.8Å; F346-A658 HydrophobicContact CE1-CB 4.24Å; F346-A658 HydrophobicContact CZ-CB 4.14Å; F346-Y666 HydrophobicContact CB-CD2 4.06Å; F346-Y666 HydrophobicContact CB-CE2 4.37Å; F346-Y666 AromaticContact CD1-CD2 3.47Å; F346-Y666 HydrophobicContact CD1-CD2 3.47Å; F346-Y666 VanDerWaalsContact CD1-CD2 3.47Å; F346-Y666 AromaticContact CD1-CE2 3.56Å; F346-Y666 HydrophobicContact CD1-CE2 3.56Å; F346-Y666 HydrophobicContact CE1-CD2 4.2Å; F346-Y666 HydrophobicContact CE1-CE2 4.32Å; F346-Y666 AromaticContact CG-CD2 4Å; F346-Y666 HydrophobicContact CG-CD2 4Å; F346-Y666 HydrophobicContact CG-CE2 4.36Å; F346-F669 HydrophobicContact CB-CB 3.94Å; F346-F669 WeakPolarHBondContact O-CB 3.44Å; F346-A670 HydrophobicContact CB-CB 4.23Å
347	L	95.4	Very high	82.6	Confident	3 Å²	3	48 Å²	48	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-23.9	173.2	-63.2	-176.8	0	0	0	112	L344 T345 I350 R351 M403 L407 V654	L344-L347 HydrophobicContact CB-CD1 3.89Å; L344-L347 HydrophobicContact CB-CG 4.21Å; L344-L347 HydrophobicContact CD1-CD1 4.3Å; L344-L347 HydrophobicContact CG-CD1 4.49Å; L344-L347 WeakPolarHBondContact O-CB 3.25Å; L344-L347 WeakPolarHBondContact O-CG 2.93Å; L344-L347 PolarHBondContact O-N 2.95Å; T345-L347 PolarHBondContact O-N 3.02Å; L347-I350 HydrophobicContact CD2-CD1 4.15Å; L347-I350 PolarHBondContact O-N 3.44Å; L347-R351 VanDerWaalsContact O-CG 3.26Å; L347-R351 WeakPolarHBondContact O-CG 3.21Å; L347-R351 PolarHBondContact O-N 2.88Å; L347-M403 HydrophobicContact CB-SD 4.5Å; L347-M403 HydrophobicContact CD2-CG 4.41Å; L347-M403 HydrophobicContact CD2-SD 4.42Å; L347-L407 HydrophobicContact CD1-CD1 4.39Å; L347-L407 HydrophobicContact CD1-CD2 4.01Å; L347-L407 HydrophobicContact CD1-CG 4.32Å; L347-V654 HydrophobicContact CD2-CG1 4.11Å; L347-V654 HydrophobicContact CD2-CG2 4.45Å
348	D	94.9	Very high	85.3	Confident	12 Å²	12	45 Å²	45	6%	0.064	21%	0.208	C	C	.	.	H	α-helix	trans	-63.8	-45.2	176.3	-69.9	-15.1	0	0	0	110.5	T345 F346 R351 C352 F674 A678	T345-D348 VanDerWaalsContact O-CB 3.28Å; T345-D348 WeakPolarHBondContact O-CB 3.24Å; T345-D348 PolarHBondContact O-N 2.68Å; F346-D348 PolarHBondContact O-N 3.42Å; D348-R351 PolarHBondContact O-N 3.38Å; D348-C352 PolarHBondContact O-N 3.34Å; D348-C352 VanDerWaalsContact O-N 3.13Å; D348-C352 PolarHBondContact O-SG 3.01Å; D348-F674 HydrophobicContact CB-CB 4.45Å; D348-A678 HydrophobicContact CB-CB 3.43Å; D348-A678 VanDerWaalsContact CB-CB 3.43Å; D348-A678 WeakPolarHBondContact O-CB 3.33Å
349	G	96.4	Very high	87.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.1	-40.7	174.9	0	0	0	0	0	113.2	F346 R351 C352 M353 F669 F674	F346-G349 PolarHBondContact O-N 3.19Å; G349-R351 VanDerWaalsContact C-N 3.34Å; G349-R351 PolarHBondContact O-N 2.85Å; G349-C352 PolarHBondContact O-N 3.38Å; G349-M353 WeakPolarHBondContact O-CG 3.31Å; G349-M353 PolarHBondContact O-N 2.54Å; G349-F669 WeakPolarHBondContact CA-O 3.27Å; G349-F669 PolarHBondContact N-O 3.11Å; G349-F674 VanDerWaalsContact CA-CD2 3.41Å
350	I	96.7	Very high	90	Very high	24 Å²	24	30.4 Å²	30.4	12%	0.123	15%	0.147	C	C	.	.	H	α-helix	trans	-60	-45.8	176.6	-65.7	177.1	0	0	0	110.1	F346 L347 C352 M353 S354 I399 M403 V654 F669	F346-I350 HydrophobicContact CD2-CD1 3.91Å; F346-I350 HydrophobicContact CE2-CD1 4.1Å; F346-I350 PolarHBondContact O-N 2.87Å; L347-I350 HydrophobicContact CD2-CD1 4.15Å; L347-I350 PolarHBondContact O-N 3.44Å; I350-C352 VanDerWaalsContact C-N 3.33Å; I350-C352 PolarHBondContact O-N 3.48Å; I350-M353 PolarHBondContact O-N 2.95Å; I350-S354 WeakPolarHBondContact O-CB 3.45Å; I350-S354 PolarHBondContact O-N 3.45Å; I350-S354 PolarHBondContact O-OG 3.44Å; I350-I399 HydrophobicContact CG2-CG2 3.55Å; I350-M403 HydrophobicContact CB-SD 4.43Å; I350-M403 HydrophobicContact CG2-CE 4.47Å; I350-M403 HydrophobicContact CG2-SD 3.96Å; I350-V654 HydrophobicContact CD1-CG2 3.91Å; I350-F669 HydrophobicContact CG1-CD1 3.94Å; I350-F669 HydrophobicContact CG1-CE1 4.22Å; I350-F669 HydrophobicContact CG1-CG 4.22Å
351	R	96.3	Very high	91.7	Very high	54 Å²	54	24 Å²	24	20%	0.204	13%	0.127	C	C	.	.	H	α-helix	trans	-57.9	-43.9	176.3	-72.6	167.3	-178.4	-164.7	-2.3	112.6	L347 D348 G349 M355 F400 M403 A678	L347-R351 VanDerWaalsContact O-CG 3.26Å; L347-R351 WeakPolarHBondContact O-CG 3.21Å; L347-R351 PolarHBondContact O-N 2.88Å; D348-R351 PolarHBondContact O-N 3.38Å; G349-R351 VanDerWaalsContact C-N 3.34Å; G349-R351 PolarHBondContact O-N 2.85Å; R351-M355 VanDerWaalsContact O-CB 3.28Å; R351-M355 WeakPolarHBondContact O-CB 3.3Å; R351-M355 PolarHBondContact O-N 3.03Å; R351-F400 HydrophobicContact CB-CE1 4.33Å; R351-F400 HydrophobicContact CG-CE1 4.19Å; R351-M403 HydrophobicContact CB-CE 4.47Å; R351-M403 HydrophobicContact CG-CE 3.49Å; R351-M403 VanDerWaalsContact CG-CE 3.49Å; R351-M403 HydrophobicContact CG-SD 3.65Å; R351-A678 HydrophobicContact CB-CB 4.46Å
352	C	96.5	Very high	93	Very high	4 Å²	4	21.1 Å²	21.1	3%	0.027	11%	0.11	C	C	.	.	H	α-helix	trans	-64.4	-48.6	-179.1	-62.8	0	0	0	0	111.4	D348 G349 I350 M355 I356 F674 A678	D348-C352 PolarHBondContact O-N 3.34Å; D348-C352 VanDerWaalsContact O-N 3.13Å; D348-C352 PolarHBondContact O-SG 3.01Å; G349-C352 PolarHBondContact O-N 3.38Å; I350-C352 VanDerWaalsContact C-N 3.33Å; I350-C352 PolarHBondContact O-N 3.48Å; C352-M355 PolarHBondContact O-N 3.25Å; C352-I356 WeakPolarHBondContact O-CG1 3.5Å; C352-I356 PolarHBondContact O-N 3.18Å; C352-F674 HydrophobicContact CB-CD1 3.8Å; C352-F674 HydrophobicContact CB-CE1 4.4Å; C352-F674 HydrophobicContact CB-CG 4.44Å; C352-F674 PolarHBondContact SG-O 3.44Å; C352-F674 VanDerWaalsContact SG-O 3.35Å; C352-A678 PolarHBondContact SG-N 2.95Å; C352-A678 VanDerWaalsContact SG-N 3.42Å
353	M	95.7	Very high	93.8	Very high	87 Å²	87	20.1 Å²	20.1	43%	0.429	11%	0.105	S	C	.	.	H	α-helix	trans	-66	-42.4	-179.5	-68.2	-61.1	155.6	0	0	112	G349 I350 M355 I356 W357 F669 F674	G349-M353 WeakPolarHBondContact O-CG 3.31Å; G349-M353 PolarHBondContact O-N 2.54Å; I350-M353 PolarHBondContact O-N 2.95Å; M353-M355 VanDerWaalsContact C-N 3.29Å; M353-M355 PolarHBondContact O-N 3.18Å; M353-I356 PolarHBondContact O-N 3.26Å; M353-I356 HydrophobicContact SD-CD1 4.4Å; M353-W357 PolarHBondContact O-N 2.87Å; M353-F669 HydrophobicContact CB-CE1 4.46Å; M353-F669 HydrophobicContact CG-CE1 4Å; M353-F674 HydrophobicContact CE-CE1 3.38Å; M353-F674 HydrophobicContact CE-CE2 4.48Å; M353-F674 HydrophobicContact CE-CZ 3.33Å
354	S	96	Very high	93.9	Very high	5 Å²	5	19.3 Å²	19.3	4%	0.035	10%	0.098	C	C	.	.	H	α-helix	trans	-62.9	-36.8	174.9	-58.7	0	0	0	0	112	I350 W357 I358 I399 F400	I350-S354 WeakPolarHBondContact O-CB 3.45Å; I350-S354 PolarHBondContact O-N 3.45Å; I350-S354 PolarHBondContact O-OG 3.44Å; S354-W357 PolarHBondContact O-N 3.24Å; S354-I358 WeakPolarHBondContact O-CG1 3.42Å; S354-I358 PolarHBondContact O-N 3.47Å; S354-I399 WeakPolarHBondContact OG-CD1 3.4Å; S354-F400 VanDerWaalsContact CB-CE2 3.46Å
355	M	97	Very high	93.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.2	-43	176.6	-174	60.8	-158.4	0	0	112	R351 C352 M353 W357 I358 I359 F400 T681 A684 Y685 H688	R351-M355 VanDerWaalsContact O-CB 3.28Å; R351-M355 WeakPolarHBondContact O-CB 3.3Å; R351-M355 PolarHBondContact O-N 3.03Å; C352-M355 PolarHBondContact O-N 3.25Å; M353-M355 VanDerWaalsContact C-N 3.29Å; M353-M355 PolarHBondContact O-N 3.18Å; M355-W357 VanDerWaalsContact C-N 3.26Å; M355-W357 PolarHBondContact O-N 2.86Å; M355-I358 WeakPolarHBondContact O-CB 3.23Å; M355-I358 PolarHBondContact O-N 3.15Å; M355-I359 HydrophobicContact CE-CD1 3.95Å; M355-I359 HydrophobicContact CE-CG1 3.81Å; M355-I359 HydrophobicContact CG-CD1 4.42Å; M355-I359 WeakPolarHBondContact O-CG1 3.34Å; M355-I359 PolarHBondContact O-N 3.44Å; M355-F400 HydrophobicContact CB-CZ 4.37Å; M355-T681 HydrophobicContact CB-CG2 4.01Å; M355-T681 HydrophobicContact CG-CG2 4.1Å; M355-T681 HydrophobicContact SD-CG2 4.15Å; M355-A684 HydrophobicContact CE-CB 4.26Å; M355-Y685 HydrophobicContact CE-CD2 4.5Å; M355-Y685 HydrophobicContact SD-CD2 4.21Å; M355-H688 HydrophobicContact CE-CB 4.02Å
356	I	96.2	Very high	93.4	Very high	62 Å²	62	23.8 Å²	23.8	32%	0.318	12%	0.119	S	C	.	.	H	α-helix	trans	-60.7	-40.5	175	-66.4	165.9	0	0	0	110.4	C352 M353 I359 G360 T714 T718	C352-I356 WeakPolarHBondContact O-CG1 3.5Å; C352-I356 PolarHBondContact O-N 3.18Å; M353-I356 PolarHBondContact O-N 3.26Å; M353-I356 HydrophobicContact SD-CD1 4.4Å; I356-I359 PolarHBondContact O-N 2.92Å; I356-G360 PolarHBondContact O-N 2.78Å; I356-T714 HydrophobicContact CG2-CG2 4.03Å; I356-T718 HydrophobicContact CG1-CG2 4.08Å
357	W	95.3	Very high	92.9	Very high	34 Å²	34	23.8 Å²	23.8	13%	0.129	12%	0.119	C	C	.	.	H	α-helix	trans	-65.3	-40.1	176.4	-170.5	19.1	0	0	0	112.6	M353 S354 M355 G360 G361 M389 N392 L395 A396 I399 I616 F646	M353-W357 PolarHBondContact O-N 2.87Å; S354-W357 PolarHBondContact O-N 3.24Å; M355-W357 VanDerWaalsContact C-N 3.26Å; M355-W357 PolarHBondContact O-N 2.86Å; W357-G360 PolarHBondContact O-N 3.48Å; W357-G361 PolarHBondContact O-N 2.88Å; W357-M389 PolarHBondContact NE1-O 3.14Å; W357-N392 HydrophobicContact CZ2-CB 4.3Å; W357-N392 VanDerWaalsContact CZ2-O 3.28Å; W357-N392 WeakPolarHBondContact CZ2-O 3.3Å; W357-L395 HydrophobicContact CH2-CB 4.12Å; W357-A396 HydrophobicContact CB-CB 4.37Å; W357-A396 HydrophobicContact CD2-CB 3.87Å; W357-A396 HydrophobicContact CE3-CB 3.57Å; W357-A396 HydrophobicContact CG-CB 4.23Å; W357-A396 HydrophobicContact CZ3-CB 4.13Å; W357-I399 HydrophobicContact CE3-CD1 4.43Å; W357-I399 HydrophobicContact CZ3-CD1 4.17Å; W357-I616 HydrophobicContact CH2-CD1 4.44Å; W357-F646 HydrophobicContact CH2-CE2 4.04Å; W357-F646 HydrophobicContact CH2-CZ 4.04Å; W357-F646 HydrophobicContact CZ3-CE2 4.22Å; W357-F646 AromaticContact CZ3-CZ 3.83Å; W357-F646 HydrophobicContact CZ3-CZ 3.83Å
358	I	95.1	Very high	92.2	Very high	3 Å²	3	27 Å²	27	2%	0.015	13%	0.132	C	C	.	.	H	α-helix	trans	-58.7	-47.2	172.3	-72.3	173.3	0	0	0	110.8	S354 M355 G360 G361 H362 A396 P397 F400 Y685	S354-I358 WeakPolarHBondContact O-CG1 3.42Å; S354-I358 PolarHBondContact O-N 3.47Å; M355-I358 WeakPolarHBondContact O-CB 3.23Å; M355-I358 PolarHBondContact O-N 3.15Å; I358-G360 VanDerWaalsContact C-N 3.33Å; I358-G360 PolarHBondContact O-N 3.11Å; I358-G361 PolarHBondContact O-N 3.26Å; I358-H362 WeakPolarHBondContact CG2-ND1 3.37Å; I358-H362 PolarHBondContact O-N 3.5Å; I358-H362 PolarHBondContact O-ND1 3.3Å; I358-A396 HydrophobicContact CD1-CB 4.33Å; I358-A396 HydrophobicContact CG1-CB 3.54Å; I358-P397 HydrophobicContact CD1-CG 4.45Å; I358-F400 HydrophobicContact CD1-CD2 3.8Å; I358-F400 HydrophobicContact CD1-CE2 3.42Å; I358-F400 VanDerWaalsContact CD1-CE2 3.42Å; I358-F400 HydrophobicContact CD1-CZ 4.4Å; I358-Y685 HydrophobicContact CD1-CD2 4.39Å; I358-Y685 HydrophobicContact CD1-CE2 4.28Å; I358-Y685 HydrophobicContact CG2-CD2 4.42Å; I358-Y685 HydrophobicContact CG2-CE2 4.23Å
359	I	95.6	Very high	91.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.2	-48.4	179.1	-68.9	170.8	0	0	0	109.9	M355 I356 G361 H362 I363 H688 T714 T717 T718	M355-I359 HydrophobicContact CE-CD1 3.95Å; M355-I359 HydrophobicContact CE-CG1 3.81Å; M355-I359 HydrophobicContact CG-CD1 4.42Å; M355-I359 WeakPolarHBondContact O-CG1 3.34Å; M355-I359 PolarHBondContact O-N 3.44Å; I356-I359 PolarHBondContact O-N 2.92Å; I359-G361 VanDerWaalsContact C-N 3.34Å; I359-G361 PolarHBondContact O-N 2.86Å; I359-H362 PolarHBondContact O-N 2.99Å; I359-I363 HydrophobicContact CG2-CD1 3.76Å; I359-I363 HydrophobicContact CG2-CG1 4.44Å; I359-I363 WeakPolarHBondContact O-CG1 3.36Å; I359-I363 PolarHBondContact O-N 2.87Å; I359-H688 HydrophobicContact CD1-CB 4.46Å; I359-H688 HydrophobicContact CG1-CB 4.1Å; I359-T714 HydrophobicContact CG2-CG2 4.44Å; I359-T717 HydrophobicContact CG2-CG2 3.65Å; I359-T718 HydrophobicContact CD1-CG2 4.45Å
360	G	92.7	Very high	91.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-56.4	-46.3	176	0	0	0	0	0	113.2	I356 W357 I358 H362 I363 L364 Y390	I356-G360 PolarHBondContact O-N 2.78Å; W357-G360 PolarHBondContact O-N 3.48Å; I358-G360 VanDerWaalsContact C-N 3.33Å; I358-G360 PolarHBondContact O-N 3.11Å; G360-H362 PolarHBondContact O-N 2.8Å; G360-I363 PolarHBondContact O-N 3.19Å; G360-L364 PolarHBondContact O-N 3.18Å; G360-L364 VanDerWaalsContact O-N 3.15Å; G360-Y390 VanDerWaalsContact CA-CD1 3.48Å; G360-Y390 VanDerWaalsContact CA-CE1 3.46Å
361	G	90.1	Very high	90.7	Very high	15 Å²	15	31.3 Å²	31.3	16%	0.155	15%	0.149	C	C	.	.	H	α-helix	trans	-61.7	-40.7	177.3	0	0	0	0	0	112.9	W357 I358 I359 L364 L365	W357-G361 PolarHBondContact O-N 2.88Å; I358-G361 PolarHBondContact O-N 3.26Å; I359-G361 VanDerWaalsContact C-N 3.34Å; I359-G361 PolarHBondContact O-N 2.86Å; G361-L364 PolarHBondContact O-N 3.06Å; G361-L365 WeakPolarHBondContact O-CB 3.24Å; G361-L365 PolarHBondContact O-N 3.38Å
362	H	91.2	Very high	90.4	Very high	25 Å²	25	30.1 Å²	30.1	12%	0.116	15%	0.147	C	C	.	.	H	α-helix	trans	-70.8	-34.6	176.8	-74.8	83.6	0	0	0	112.6	I358 I359 G360 L364 L365 H366 H688	I358-H362 WeakPolarHBondContact CG2-ND1 3.37Å; I358-H362 PolarHBondContact O-N 3.5Å; I358-H362 PolarHBondContact O-ND1 3.3Å; I359-H362 PolarHBondContact O-N 2.99Å; G360-H362 PolarHBondContact O-N 2.8Å; H362-L364 VanDerWaalsContact C-N 3.3Å; H362-L364 PolarHBondContact O-N 3.11Å; H362-L365 PolarHBondContact O-N 2.99Å; H362-H366 WeakPolarHBondContact O-CB 3.38Å; H362-H366 PolarHBondContact O-CD2 3.28Å; H362-H366 PolarHBondContact O-N 3.4Å; H362-H688 AromaticContact CE1-NE2 3.83Å; H362-H688 AromaticContact CG-NE2 3.58Å; H362-H688 AromaticContact ND1-NE2 3.42Å; H362-H688 PolarHBondContact ND1-NE2 3.21Å
363	I	91.3	Very high	90	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.031	15%	0.15	C	C	.	.	H	α-helix	trans	-60.6	-43	173.3	-71.5	163.3	0	0	0	110.4	I359 G360 G367 V692 L713	I359-I363 HydrophobicContact CG2-CD1 3.76Å; I359-I363 HydrophobicContact CG2-CG1 4.44Å; I359-I363 WeakPolarHBondContact O-CG1 3.36Å; I359-I363 PolarHBondContact O-N 2.87Å; G360-I363 PolarHBondContact O-N 3.19Å; I363-G367 VanDerWaalsContact O-CA 3.27Å; I363-G367 WeakPolarHBondContact O-CA 3.4Å; I363-G367 PolarHBondContact O-N 3.04Å; I363-V692 HydrophobicContact CG1-CG2 4.02Å; I363-L713 VanDerWaalsContact CD1-C 3.48Å; I363-L713 HydrophobicContact CD1-CB 4.04Å; I363-L713 WeakPolarHBondContact CD1-O 3.43Å; I363-L713 HydrophobicContact CG2-CB 4.02Å; I363-L713 HydrophobicContact CG2-CD1 4.08Å
364	L	86.2	Confident	89.4	Confident	13 Å²	13	27 Å²	27	7%	0.068	13%	0.132	C	C	.	.	H	α-helix	trans	-64.4	-44.8	173.3	-75.6	-168.6	0	0	0	112	G360 G361 H362 G367 Y368 F381 Y390 I705 V710	G360-L364 PolarHBondContact O-N 3.18Å; G360-L364 VanDerWaalsContact O-N 3.15Å; G361-L364 PolarHBondContact O-N 3.06Å; H362-L364 VanDerWaalsContact C-N 3.3Å; H362-L364 PolarHBondContact O-N 3.11Å; L364-G367 PolarHBondContact O-N 3.11Å; L364-Y368 WeakPolarHBondContact O-CB 2.83Å; L364-Y368 PolarHBondContact O-N 2.95Å; L364-F381 HydrophobicContact CD1-CE1 4.25Å; L364-F381 HydrophobicContact CD1-CZ 4.19Å; L364-Y390 HydrophobicContact CD1-CG 4.34Å; L364-I705 HydrophobicContact CD2-CG2 4.09Å; L364-V710 HydrophobicContact CD2-CG1 4.43Å; L364-V710 HydrophobicContact CD2-CG2 3.65Å
365	L	83.6	Confident	88.6	Confident	102 Å²	102	30 Å²	30	53%	0.534	15%	0.146	S	C	.	.	H	α-helix	trans	-63.1	-44.6	-178.4	-176.5	67.2	0	0	0	112.8	G361 H362	G361-L365 WeakPolarHBondContact O-CB 3.24Å; G361-L365 PolarHBondContact O-N 3.38Å; H362-L365 PolarHBondContact O-N 2.99Å
366	H	84.3	Confident	87.8	Confident	49 Å²	49	34.3 Å²	34.3	23%	0.227	17%	0.168	C	C	.	.	H	α-helix	trans	-73.7	-41.9	176.2	-78	-98.9	0	0	0	111	H362 Y368 K369 V692 I696	H362-H366 WeakPolarHBondContact O-CB 3.38Å; H362-H366 PolarHBondContact O-CD2 3.28Å; H362-H366 PolarHBondContact O-N 3.4Å; H366-Y368 VanDerWaalsContact C-N 3.27Å; H366-Y368 PolarHBondContact O-N 3.02Å; H366-K369 PolarHBondContact O-N 3.17Å; H366-K369 VanDerWaalsContact O-N 3.14Å; H366-V692 HydrophobicContact CB-CG1 3.73Å; H366-I696 HydrophobicContact CB-CD1 3.84Å
367	G	84.4	Confident	86.9	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-63.9	-33.1	-179.6	0	0	0	0	0	112.8	I363 L364 K369 L370 T371 F703	I363-G367 VanDerWaalsContact O-CA 3.27Å; I363-G367 WeakPolarHBondContact O-CA 3.4Å; I363-G367 PolarHBondContact O-N 3.04Å; L364-G367 PolarHBondContact O-N 3.11Å; G367-K369 PolarHBondContact O-N 3.35Å; G367-K369 VanDerWaalsContact O-N 3.1Å; G367-L370 PolarHBondContact O-N 3.06Å; G367-L370 VanDerWaalsContact O-N 3.17Å; G367-T371 WeakPolarHBondContact O-CB 3.24Å; G367-T371 PolarHBondContact O-N 3.49Å; G367-T371 VanDerWaalsContact O-N 3.11Å; G367-F703 VanDerWaalsContact C-CZ 3.49Å; G367-F703 VanDerWaalsContact CA-CE2 3.43Å; G367-F703 WeakPolarHBondContact O-CE2 3.44Å; G367-F703 WeakPolarHBondContact O-CZ 3.45Å
368	Y	80.8	Confident	85.8	Confident	71 Å²	71	31.5 Å²	31.5	28%	0.278	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-31.7	174.6	-178.2	-91.1	0	0	0	113.5	I152 L364 H366 L374	I152-Y368 VanDerWaalsContact CB-OH 3.27Å; I152-Y368 WeakPolarHBondContact CB-OH 3.45Å; I152-Y368 HydrophobicContact CD1-CE2 4.48Å; I152-Y368 WeakPolarHBondContact CD1-OH 3.45Å; I152-Y368 WeakPolarHBondContact CG1-OH 3.37Å; I152-Y368 HydrophobicContact CG2-CE1 3.56Å; I152-Y368 WeakPolarHBondContact CG2-OH 3.39Å; L364-Y368 WeakPolarHBondContact O-CB 2.83Å; L364-Y368 PolarHBondContact O-N 2.95Å; H366-Y368 VanDerWaalsContact C-N 3.27Å; H366-Y368 PolarHBondContact O-N 3.02Å; Y368-L374 HydrophobicContact CD1-CD1 4.29Å; Y368-L374 HydrophobicContact CD2-CD1 3.36Å; Y368-L374 HydrophobicContact CE1-CD1 4.25Å; Y368-L374 HydrophobicContact CE2-CD1 3.33Å; Y368-L374 HydrophobicContact CE2-CG 4.42Å; Y368-L374 HydrophobicContact CG-CD1 3.89Å
369	K	82.4	Confident	84.5	Confident	110 Å²	110	32 Å²	32	48%	0.478	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-12.1	-176.4	-61.8	-170.7	174.1	-160	0	114.8	H109 E154 H366 G367	H109-K369 PolarHBondContact CE1-O 3.14Å; H109-K369 VanDerWaalsContact CE1-O 3.23Å; H109-K369 PolarHBondContact NE2-O 3.34Å; H109-K369 VanDerWaalsContact NE2-O 3.15Å; E154-K369 IonicContact OE2-NZ 3.26Å; E154-K369 PolarHBondContact OE2-NZ 2.88Å; E154-K369 VanDerWaalsContact OE2-NZ 3.11Å; H366-K369 PolarHBondContact O-N 3.17Å; H366-K369 VanDerWaalsContact O-N 3.14Å; G367-K369 PolarHBondContact O-N 3.35Å; G367-K369 VanDerWaalsContact O-N 3.1Å
370	L	85.9	Confident	83.2	Confident	15 Å²	15	34 Å²	34	8%	0.079	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.7	4.1	-169.3	-169.2	64.9	0	0	0	113.6	H109 G367 F463 I696 F703	H109-L370 WeakPolarHBondContact NE2-CA 3.34Å; G367-L370 PolarHBondContact O-N 3.06Å; G367-L370 VanDerWaalsContact O-N 3.17Å; L370-F463 HydrophobicContact CD1-CB 4.16Å; L370-F463 HydrophobicContact CD1-CD1 3.23Å; L370-F463 HydrophobicContact CD1-CD2 3.75Å; L370-F463 HydrophobicContact CD1-CE1 3.3Å; L370-F463 HydrophobicContact CD1-CE2 3.81Å; L370-F463 HydrophobicContact CD1-CG 3.43Å; L370-F463 VanDerWaalsContact CD1-CG 3.43Å; L370-F463 HydrophobicContact CD1-CZ 3.55Å; L370-F463 HydrophobicContact CD2-CB 3.79Å; L370-F463 HydrophobicContact CD2-CD1 4.34Å; L370-F463 HydrophobicContact CD2-CD2 3.6Å; L370-F463 HydrophobicContact CD2-CE2 4.19Å; L370-F463 HydrophobicContact CD2-CG 3.65Å; L370-F463 HydrophobicContact CG-CD1 4.35Å; L370-F463 HydrophobicContact CG-CD2 4.05Å; L370-F463 HydrophobicContact CG-CE1 4.47Å; L370-F463 HydrophobicContact CG-CE2 4.18Å; L370-F463 HydrophobicContact CG-CG 4.09Å; L370-F463 HydrophobicContact CG-CZ 4.35Å; L370-I696 HydrophobicContact CB-CG2 4.36Å; L370-I696 HydrophobicContact CD2-CG2 3.69Å; L370-I696 WeakPolarHBondContact CD2-O 3.36Å; L370-F703 VanDerWaalsContact C-CZ 3.45Å; L370-F703 HydrophobicContact CB-CE1 3.56Å; L370-F703 HydrophobicContact CB-CZ 3.71Å; L370-F703 HydrophobicContact CD2-CE1 3.93Å; L370-F703 HydrophobicContact CG-CE1 3.77Å; L370-F703 HydrophobicContact CG-CZ 4.41Å
371	T	88.6	Confident	81.9	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.006	18%	0.18	C	C	.	.			trans	-81	143.4	179.6	-168.1	0	0	0	0	112.4	G367 N373 L374 F703 I705	G367-T371 WeakPolarHBondContact O-CB 3.24Å; G367-T371 PolarHBondContact O-N 3.49Å; G367-T371 VanDerWaalsContact O-N 3.11Å; T371-N373 PolarHBondContact OG1-N 3.47Å; T371-N373 PolarHBondContact OG1-OD1 3.08Å; T371-L374 HydrophobicContact CG2-CB 3.9Å; T371-L374 HydrophobicContact CG2-CD1 3.96Å; T371-F703 WeakPolarHBondContact CA-O 3.3Å; T371-F703 PolarHBondContact OG1-O 3.12Å; T371-F703 VanDerWaalsContact OG1-O 3.1Å; T371-I705 HydrophobicContact CG2-CD1 4.06Å; T371-I705 HydrophobicContact CG2-CG1 4.44Å; T371-I705 PolarHBondContact OG1-N 3.06Å
372	N	90.4	Very high	80.5	Confident	29 Å²	29	40.9 Å²	40.9	16%	0.155	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	10.8	174.3	-94.6	-4.1	0	0	0	114.3	G106 A107 M108 H109 P702 F703	G106-N372 CarbonylContact C-O 3.51Å; G106-N372 CarbonylContact O-C 3.55Å; A107-N372 VanDerWaalsContact CA-O 3.31Å; A107-N372 WeakPolarHBondContact CA-O 3.48Å; A107-N372 WeakPolarHBondContact CA-OD1 3.22Å; A107-N372 HydrophobicContact CB-CB 4.03Å; A107-N372 WeakPolarHBondContact CB-O 3.34Å; A107-N372 PolarHBondContact N-O 2.93Å; M108-N372 PolarHBondContact N-OD1 3Å; H109-N372 WeakPolarHBondContact CB-OD1 3.45Å; H109-N372 PolarHBondContact N-OD1 2.66Å; H109-N372 PolarHBondContact O-ND2 3.27Å; H109-N372 PolarHBondContact O-OD1 3.27Å; N372-P702 HydrophobicContact CB-CB 3.94Å; N372-P702 WeakPolarHBondContact ND2-CB 3.45Å; N372-P702 WeakPolarHBondContact ND2-CG 3.41Å; N372-F703 PolarHBondContact N-O 3.03Å; N372-F703 VanDerWaalsContact N-O 3.16Å
373	N	87.7	Confident	79.3	Confident	15 Å²	15	48.4 Å²	48.4	8%	0.08	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	28.2	175.7	76.8	-24	0	0	0	113.1	G105 T371 M375 I376 L377 I704 I705	G105-N373 CarbonylContact O-C 3.56Å; G105-N373 WeakPolarHBondContact O-CA 3.35Å; T371-N373 PolarHBondContact OG1-N 3.47Å; T371-N373 PolarHBondContact OG1-OD1 3.08Å; N373-M375 PolarHBondContact O-N 2.99Å; N373-I376 HydrophobicContact CB-CB 4.34Å; N373-I376 HydrophobicContact CB-CD1 4.42Å; N373-I376 WeakPolarHBondContact O-CB 3.42Å; N373-I376 PolarHBondContact O-N 3.1Å; N373-I376 VanDerWaalsContact O-N 3.1Å; N373-L377 WeakPolarHBondContact O-CB 3.08Å; N373-L377 PolarHBondContact O-N 3.42Å; N373-I704 HydrophobicContact CB-CG2 4.13Å; N373-I704 WeakPolarHBondContact ND2-CG2 3.42Å; N373-I705 PolarHBondContact ND2-O 3.37Å; N373-I705 PolarHBondContact OD1-N 2.98Å; N373-I705 VanDerWaalsContact OD1-N 3.15Å
374	L	82.6	Confident	78.4	Confident	10 Å²	10	49.4 Å²	49.4	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-55.5	-43.7	-170.1	-173.7	61.5	0	0	0	114.3	G105 I152 L155 Y368 T371 L377 A378	G105-L374 PolarHBondContact O-N 3.14Å; I152-L374 HydrophobicContact CD1-CD1 4.49Å; I152-L374 HydrophobicContact CD1-CD2 3.78Å; I152-L374 HydrophobicContact CD1-CG 3.95Å; L155-L374 HydrophobicContact CD1-CD2 3.39Å; Y368-L374 HydrophobicContact CD1-CD1 4.29Å; Y368-L374 HydrophobicContact CD2-CD1 3.36Å; Y368-L374 HydrophobicContact CE1-CD1 4.25Å; Y368-L374 HydrophobicContact CE2-CD1 3.33Å; Y368-L374 HydrophobicContact CE2-CG 4.42Å; Y368-L374 HydrophobicContact CG-CD1 3.89Å; T371-L374 HydrophobicContact CG2-CB 3.9Å; T371-L374 HydrophobicContact CG2-CD1 3.96Å; L374-L377 PolarHBondContact O-N 3.28Å; L374-A378 PolarHBondContact O-N 3.41Å
375	M	79	Confident	77.6	Confident	70 Å²	70	53.7 Å²	53.7	35%	0.345	25%	0.246	S	C	.	.	H	α-helix	trans	-72.9	-33.3	-179.9	-63.6	-62.5	-170.9	0	0	111.7	G105 I149 N373 G379	G105-M375 WeakPolarHBondContact O-CB 3.26Å; G105-M375 PolarHBondContact O-N 3.5Å; I149-M375 HydrophobicContact CD1-CE 4.36Å; N373-M375 PolarHBondContact O-N 2.99Å; M375-G379 PolarHBondContact O-N 2.86Å
376	I	81.3	Confident	77	Confident	89 Å²	89	52.8 Å²	52.8	46%	0.456	24%	0.241	S	C	.	.	H	α-helix	trans	-66.2	-46.3	172	-63.7	169.1	0	0	0	109.6	G105 N373 A378 G379 E380	G105-I376 PolarHBondContact O-N 3.46Å; N373-I376 HydrophobicContact CB-CB 4.34Å; N373-I376 HydrophobicContact CB-CD1 4.42Å; N373-I376 WeakPolarHBondContact O-CB 3.42Å; N373-I376 PolarHBondContact O-N 3.1Å; N373-I376 VanDerWaalsContact O-N 3.1Å; I376-A378 VanDerWaalsContact C-N 3.32Å; I376-A378 PolarHBondContact O-N 3.05Å; I376-G379 CarbonylContact O-C 3.41Å; I376-G379 VanDerWaalsContact O-CA 3.28Å; I376-G379 WeakPolarHBondContact O-CA 3.41Å; I376-G379 PolarHBondContact O-N 2.65Å; I376-E380 HydrophobicContact CG2-CG 4.15Å; I376-E380 PolarHBondContact O-N 3.39Å
377	L	77.2	Confident	76.4	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-58.5	-43.1	178.6	-179.3	65.8	0	0	0	111.5	N373 L374 G379 E380 F381 F387 I705	N373-L377 WeakPolarHBondContact O-CB 3.08Å; N373-L377 PolarHBondContact O-N 3.42Å; L374-L377 PolarHBondContact O-N 3.28Å; L377-G379 PolarHBondContact O-N 3.41Å; L377-E380 PolarHBondContact O-N 3.47Å; L377-F381 HydrophobicContact CD1-CD2 4.4Å; L377-F381 HydrophobicContact CD1-CE2 4.12Å; L377-F381 HydrophobicContact CD2-CE2 3.98Å; L377-F381 HydrophobicContact CG-CD2 4.01Å; L377-F381 HydrophobicContact CG-CE2 3.66Å; L377-F381 HydrophobicContact CG-CZ 4.49Å; L377-F381 WeakPolarHBondContact O-CD2 3.45Å; L377-F381 PolarHBondContact O-N 3.17Å; L377-F387 HydrophobicContact CD1-CE2 4.37Å; L377-F387 HydrophobicContact CD1-CZ 4.4Å; L377-I705 HydrophobicContact CD1-CB 4.18Å; L377-I705 HydrophobicContact CD1-CG2 3.65Å; L377-I705 HydrophobicContact CD2-CB 3.98Å; L377-I705 HydrophobicContact CD2-CD1 3.61Å; L377-I705 HydrophobicContact CD2-CG1 4.35Å; L377-I705 HydrophobicContact CD2-CG2 3.95Å; L377-I705 HydrophobicContact CG-CG2 4.44Å
378	A	72.1	Confident	76	Confident	36 Å²	36	50.8 Å²	50.8	30%	0.298	23%	0.232	S	C	.	.	H	α-helix	trans	-55.9	-37.5	172.4	0	0	0	0	0	111.9	L374 I376	L374-A378 PolarHBondContact O-N 3.41Å; I376-A378 VanDerWaalsContact C-N 3.32Å; I376-A378 PolarHBondContact O-N 3.05Å
379	G	67.5	Low	75.9	Confident	13 Å²	13	50.3 Å²	50.3	13%	0.134	23%	0.233	C	C	.	.	H	α-helix	trans	-71.7	-35	172.1	0	0	0	0	0	114.6	M375 I376 L377 R382	M375-G379 PolarHBondContact O-N 2.86Å; I376-G379 CarbonylContact O-C 3.41Å; I376-G379 VanDerWaalsContact O-CA 3.28Å; I376-G379 WeakPolarHBondContact O-CA 3.41Å; I376-G379 PolarHBondContact O-N 2.65Å; L377-G379 PolarHBondContact O-N 3.41Å; G379-R382 VanDerWaalsContact O-CB 3.27Å; G379-R382 WeakPolarHBondContact O-CB 3.27Å; G379-R382 PolarHBondContact O-N 3.12Å; G379-R382 PolarHBondContact O-NE 2.88Å
380	E	68.5	Low	75.7	Confident	41 Å²	41	46.8 Å²	46.8	19%	0.192	22%	0.217	C	C	.	.	H	α-helix	trans	-75.6	-31.6	-178.7	-74.2	-53.1	135.1	0	0	113.8	I376 L377 R382 R383 I384 F387	I376-E380 HydrophobicContact CG2-CG 4.15Å; I376-E380 PolarHBondContact O-N 3.39Å; L377-E380 PolarHBondContact O-N 3.47Å; E380-R382 PolarHBondContact O-N 2.57Å; E380-R383 PolarHBondContact O-N 3.32Å; E380-R383 IonicContact OE1-CZ 2.81Å; E380-R383 IonicContact OE1-NE 3.99Å; E380-R383 PolarHBondContact OE1-NE 3.15Å; E380-R383 IonicContact OE1-NH2 3.94Å; E380-R383 PolarHBondContact OE1-NH2 3.05Å; E380-R383 IonicContact OE2-NE 2.9Å; E380-I384 HydrophobicContact CB-CD1 4.35Å; E380-I384 PolarHBondContact O-N 3.03Å; E380-I384 VanDerWaalsContact O-N 3.11Å; E380-I384 WeakPolarHBondContact OE2-CD1 3.41Å; E380-F387 HydrophobicContact CB-CE2 4.37Å
381	F	65.8	Low	75.4	Confident	18 Å²	18	48.6 Å²	48.6	8%	0.079	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-25.3	167.7	-87.4	-63.7	0	0	0	112	L364 L377 F387 F391 L623	L364-F381 HydrophobicContact CD1-CE1 4.25Å; L364-F381 HydrophobicContact CD1-CZ 4.19Å; L377-F381 HydrophobicContact CD1-CD2 4.4Å; L377-F381 HydrophobicContact CD1-CE2 4.12Å; L377-F381 HydrophobicContact CD2-CE2 3.98Å; L377-F381 HydrophobicContact CG-CD2 4.01Å; L377-F381 HydrophobicContact CG-CE2 3.66Å; L377-F381 HydrophobicContact CG-CZ 4.49Å; L377-F381 WeakPolarHBondContact O-CD2 3.45Å; L377-F381 PolarHBondContact O-N 3.17Å; F381-F387 HydrophobicContact CD1-CB 3.62Å; F381-F387 HydrophobicContact CE1-CB 3.71Å; F381-F387 HydrophobicContact CE1-CG 4.5Å; F381-F391 HydrophobicContact CE1-CB 3.9Å; F381-F391 HydrophobicContact CE1-CD2 4.28Å; F381-F391 HydrophobicContact CE1-CG 4.39Å; F381-F391 HydrophobicContact CZ-CD2 4.41Å; F381-L623 HydrophobicContact CB-CD1 3.91Å; F381-L623 HydrophobicContact CB-CD2 3.74Å; F381-L623 HydrophobicContact CB-CG 3.76Å; F381-L623 HydrophobicContact CD1-CD2 3.65Å; F381-L623 HydrophobicContact CG-CD1 4.39Å; F381-L623 HydrophobicContact CG-CD2 3.92Å; F381-L623 HydrophobicContact CG-CG 4.39Å
382	R	61	Low	75.2	Confident	142 Å²	142	48.6 Å²	48.6	54%	0.536	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-28.8	174.2	-56.4	-178	-66	-158.8	-0.6	115.3	G379 E380 Y620 L623 S624	G379-R382 VanDerWaalsContact O-CB 3.27Å; G379-R382 WeakPolarHBondContact O-CB 3.27Å; G379-R382 PolarHBondContact O-N 3.12Å; G379-R382 PolarHBondContact O-NE 2.88Å; E380-R382 PolarHBondContact O-N 2.57Å; R382-Y620 PolarHBondContact O-OH 2.67Å; R382-L623 VanDerWaalsContact CG-O 3.26Å; R382-L623 WeakPolarHBondContact CG-O 3.36Å; R382-S624 WeakPolarHBondContact O-CB 3.31Å
383	R	64.7	Low	75	Confident	183 Å²	183	47.5 Å²	47.5	69%	0.691	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-30.8	-171.9	-69.1	-160.9	-89	-154.5	-6.6	112.9	E380	E380-R383 PolarHBondContact O-N 3.32Å; E380-R383 IonicContact OE1-CZ 2.81Å; E380-R383 IonicContact OE1-NE 3.99Å; E380-R383 PolarHBondContact OE1-NE 3.15Å; E380-R383 IonicContact OE1-NH2 3.94Å; E380-R383 PolarHBondContact OE1-NH2 3.05Å; E380-R383 IonicContact OE2-NE 2.9Å
384	I	71.9	Confident	75	Confident	28 Å²	28	47.6 Å²	47.6	14%	0.144	22%	0.22	C	C	.	.			trans	-114.1	108.4	-165	-62.9	159.8	0	0	0	110.3	E380 L386 F387 G388 Q707	E380-I384 HydrophobicContact CB-CD1 4.35Å; E380-I384 PolarHBondContact O-N 3.03Å; E380-I384 VanDerWaalsContact O-N 3.11Å; E380-I384 WeakPolarHBondContact OE2-CD1 3.41Å; I384-L386 HydrophobicContact CG2-CB 3.9Å; I384-L386 PolarHBondContact O-N 3.41Å; I384-F387 HydrophobicContact CB-CD2 3.71Å; I384-F387 HydrophobicContact CB-CE2 4.37Å; I384-F387 HydrophobicContact CB-CG 4.45Å; I384-F387 HydrophobicContact CD1-CD2 3.73Å; I384-F387 HydrophobicContact CD1-CE2 3.52Å; I384-F387 HydrophobicContact CG1-CD2 4.33Å; I384-F387 HydrophobicContact CG2-CB 4.42Å; I384-F387 HydrophobicContact CG2-CD2 3.77Å; I384-F387 HydrophobicContact CG2-CE2 4.34Å; I384-F387 HydrophobicContact CG2-CG 4.18Å; I384-F387 PolarHBondContact O-N 3.06Å; I384-G388 PolarHBondContact O-N 2.99Å; I384-Q707 HydrophobicContact CD1-CG 4.26Å; I384-Q707 VanDerWaalsContact CD1-NE2 3.29Å; I384-Q707 HydrophobicContact CG2-CG 4.25Å
385	W	69.5	Low	75.4	Confident	103 Å²	103	47.1 Å²	47.1	39%	0.39	22%	0.217	S	C	.	.	H	α-helix	trans	-58.9	-33	176.7	-179.4	82.3	0	0	0	113.5	F387 G388 M389 F617 Y620	W385-F387 PolarHBondContact O-N 3.06Å; W385-G388 WeakPolarHBondContact O-CA 3.13Å; W385-G388 PolarHBondContact O-N 3.4Å; W385-M389 PolarHBondContact O-N 2.87Å; W385-F617 AromaticContact CE2-CE2 3.94Å; W385-F617 AromaticContact CE2-CZ 3.81Å; W385-F617 AromaticContact CZ2-CE2 3.91Å; W385-F617 HydrophobicContact CZ2-CE2 3.91Å; W385-F617 HydrophobicContact CZ2-CZ 4.1Å; W385-F617 AromaticContact NE1-CE1 3.61Å; W385-F617 AromaticContact NE1-CE2 3.45Å; W385-F617 AromaticContact NE1-CZ 3.23Å; W385-Y620 HydrophobicContact CB-CE2 4.26Å
386	L	71.1	Confident	76.1	Confident	82 Å²	82	43.8 Å²	43.8	43%	0.429	20%	0.201	S	C	.	.	H	α-helix	trans	-59.2	-42.8	176.5	-70.2	173.8	0	0	0	112.3	I384 G388 M389 Y390	I384-L386 HydrophobicContact CG2-CB 3.9Å; I384-L386 PolarHBondContact O-N 3.41Å; L386-G388 VanDerWaalsContact C-N 3.26Å; L386-G388 PolarHBondContact O-N 2.94Å; L386-M389 WeakPolarHBondContact O-CB 3.26Å; L386-M389 PolarHBondContact O-N 3.49Å; L386-M389 VanDerWaalsContact O-N 3.08Å; L386-Y390 WeakPolarHBondContact O-CD2 3.48Å; L386-Y390 PolarHBondContact O-N 3.45Å; L386-Y390 VanDerWaalsContact O-N 3.16Å
387	F	73.4	Confident	76.8	Confident	7 Å²	7	39.7 Å²	39.7	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-64.1	-35.2	174.9	-74.1	-45.4	0	0	0	111.5	L377 E380 F381 I384 W385 M389 Y390 F391 I705 Q707 V710	L377-F387 HydrophobicContact CD1-CE2 4.37Å; L377-F387 HydrophobicContact CD1-CZ 4.4Å; E380-F387 HydrophobicContact CB-CE2 4.37Å; F381-F387 HydrophobicContact CD1-CB 3.62Å; F381-F387 HydrophobicContact CE1-CB 3.71Å; F381-F387 HydrophobicContact CE1-CG 4.5Å; I384-F387 HydrophobicContact CB-CD2 3.71Å; I384-F387 HydrophobicContact CB-CE2 4.37Å; I384-F387 HydrophobicContact CB-CG 4.45Å; I384-F387 HydrophobicContact CD1-CD2 3.73Å; I384-F387 HydrophobicContact CD1-CE2 3.52Å; I384-F387 HydrophobicContact CG1-CD2 4.33Å; I384-F387 HydrophobicContact CG2-CB 4.42Å; I384-F387 HydrophobicContact CG2-CD2 3.77Å; I384-F387 HydrophobicContact CG2-CE2 4.34Å; I384-F387 HydrophobicContact CG2-CG 4.18Å; I384-F387 PolarHBondContact O-N 3.06Å; W385-F387 PolarHBondContact O-N 3.06Å; F387-M389 VanDerWaalsContact C-N 3.3Å; F387-M389 PolarHBondContact O-N 2.7Å; F387-Y390 PolarHBondContact O-N 3.3Å; F387-F391 VanDerWaalsContact O-CB 3.28Å; F387-F391 WeakPolarHBondContact O-CB 3.28Å; F387-F391 PolarHBondContact O-N 2.88Å; F387-I705 HydrophobicContact CE1-CG2 4.34Å; F387-Q707 HydrophobicContact CE1-CG 4.38Å; F387-Q707 HydrophobicContact CE2-CG 4.01Å; F387-Q707 HydrophobicContact CZ-CB 4.44Å; F387-Q707 HydrophobicContact CZ-CG 3.81Å; F387-V710 HydrophobicContact CE1-CG2 4Å
388	G	75.9	Confident	77.6	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-57.5	-39.8	170.2	0	0	0	0	0	113.1	I384 W385 L386 N392	I384-G388 PolarHBondContact O-N 2.99Å; W385-G388 WeakPolarHBondContact O-CA 3.13Å; W385-G388 PolarHBondContact O-N 3.4Å; L386-G388 VanDerWaalsContact C-N 3.26Å; L386-G388 PolarHBondContact O-N 2.94Å; G388-N392 WeakPolarHBondContact O-CB 3.1Å; G388-N392 PolarHBondContact O-N 3.36Å; G388-N392 PolarHBondContact O-ND2 2.9Å
389	M	76.8	Confident	78.8	Confident	61 Å²	61	38.2 Å²	38.2	30%	0.3	17%	0.167	S	C	.	.	H	α-helix	trans	-64.6	-46.9	175.3	-175	-174	74.2	0	0	112	W357 W385 L386 F387 N392 G393	W357-M389 PolarHBondContact NE1-O 3.14Å; W385-M389 PolarHBondContact O-N 2.87Å; L386-M389 WeakPolarHBondContact O-CB 3.26Å; L386-M389 PolarHBondContact O-N 3.49Å; L386-M389 VanDerWaalsContact O-N 3.08Å; F387-M389 VanDerWaalsContact C-N 3.3Å; F387-M389 PolarHBondContact O-N 2.7Å; M389-N392 PolarHBondContact O-N 3.16Å; M389-G393 PolarHBondContact O-N 2.85Å
390	Y	79.8	Confident	80.2	Confident	36 Å²	36	38.8 Å²	38.8	14%	0.141	17%	0.166	C	C	.	.	H	α-helix	trans	-65.6	-39.4	177.7	-82	-95.5	0	0	0	112	G360 L364 L386 F387 N392 G393 V710	G360-Y390 VanDerWaalsContact CA-CD1 3.48Å; G360-Y390 VanDerWaalsContact CA-CE1 3.46Å; L364-Y390 HydrophobicContact CD1-CG 4.34Å; L386-Y390 WeakPolarHBondContact O-CD2 3.48Å; L386-Y390 PolarHBondContact O-N 3.45Å; L386-Y390 VanDerWaalsContact O-N 3.16Å; F387-Y390 PolarHBondContact O-N 3.3Å; Y390-N392 VanDerWaalsContact C-N 3.26Å; Y390-N392 PolarHBondContact O-N 2.66Å; Y390-G393 WeakPolarHBondContact O-CA 3.49Å; Y390-G393 PolarHBondContact O-N 2.98Å; Y390-V710 HydrophobicContact CD1-CG1 3.81Å; Y390-V710 HydrophobicContact CD2-CG1 4.41Å; Y390-V710 HydrophobicContact CE1-CG1 3.59Å; Y390-V710 HydrophobicContact CE2-CG1 4.24Å; Y390-V710 HydrophobicContact CG-CG1 4.23Å
391	F	78.2	Confident	81.6	Confident	54 Å²	54	36.8 Å²	36.8	24%	0.237	16%	0.157	C	C	.	.	H	α-helix	trans	-60.1	-37.2	173.6	-178.1	-101.5	0	0	0	112.1	F381 F387 G393 H394 M554 I556 L623	F381-F391 HydrophobicContact CE1-CB 3.9Å; F381-F391 HydrophobicContact CE1-CD2 4.28Å; F381-F391 HydrophobicContact CE1-CG 4.39Å; F381-F391 HydrophobicContact CZ-CD2 4.41Å; F387-F391 VanDerWaalsContact O-CB 3.28Å; F387-F391 WeakPolarHBondContact O-CB 3.28Å; F387-F391 PolarHBondContact O-N 2.88Å; F391-G393 PolarHBondContact O-N 2.82Å; F391-H394 PolarHBondContact O-ND1 3.16Å; F391-M554 HydrophobicContact CE1-CE 3.92Å; F391-M554 HydrophobicContact CE1-SD 4.1Å; F391-M554 HydrophobicContact CE2-CE 3.89Å; F391-M554 HydrophobicContact CZ-CE 3.27Å; F391-M554 HydrophobicContact CZ-SD 3.98Å; F391-I556 HydrophobicContact CE1-CD1 3.69Å; F391-I556 HydrophobicContact CZ-CD1 3.9Å; F391-L623 HydrophobicContact CD1-CD2 4.13Å; F391-L623 HydrophobicContact CG-CD2 4.3Å
392	N	84.8	Confident	83.1	Confident	0 Å²	0	36 Å²	36	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-75.1	6.2	173.2	-79	-80.4	0	0	0	114.2	W357 G388 M389 Y390 H394 L395 I616 S619	W357-N392 HydrophobicContact CZ2-CB 4.3Å; W357-N392 VanDerWaalsContact CZ2-O 3.28Å; W357-N392 WeakPolarHBondContact CZ2-O 3.3Å; G388-N392 WeakPolarHBondContact O-CB 3.1Å; G388-N392 PolarHBondContact O-N 3.36Å; G388-N392 PolarHBondContact O-ND2 2.9Å; M389-N392 PolarHBondContact O-N 3.16Å; Y390-N392 VanDerWaalsContact C-N 3.26Å; Y390-N392 PolarHBondContact O-N 2.66Å; N392-H394 WeakPolarHBondContact CA-ND1 3.34Å; N392-H394 PolarHBondContact O-N 3.43Å; N392-H394 PolarHBondContact OD1-CE1 2.97Å; N392-L395 WeakPolarHBondContact O-CB 3.26Å; N392-L395 PolarHBondContact O-N 3.38Å; N392-I616 HydrophobicContact CB-CG1 4.34Å; N392-I616 HydrophobicContact CB-CG2 4.42Å; N392-S619 PolarHBondContact ND2-OG 3.02Å
393	G	86.2	Confident	84.8	Confident	6 Å²	6	29.4 Å²	29.4	6%	0.062	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-57.5	-17.8	176.2	0	0	0	0	0	114.7	M389 Y390 F391 L395 A396	M389-G393 PolarHBondContact O-N 2.85Å; Y390-G393 WeakPolarHBondContact O-CA 3.49Å; Y390-G393 PolarHBondContact O-N 2.98Å; F391-G393 PolarHBondContact O-N 2.82Å; G393-L395 PolarHBondContact O-N 3.48Å; G393-A396 VanDerWaalsContact O-CB 3.27Å; G393-A396 WeakPolarHBondContact O-CB 3.25Å; G393-A396 PolarHBondContact O-N 3.47Å
394	H	87.4	Confident	86.4	Confident	17 Å²	17	21.7 Å²	21.7	8%	0.079	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-63.5	-14.1	173.4	78.9	-93.3	0	0	0	114.1	F391 N392 I556 Y562 R568 H642 R643	F391-H394 PolarHBondContact O-ND1 3.16Å; N392-H394 WeakPolarHBondContact CA-ND1 3.34Å; N392-H394 PolarHBondContact O-N 3.43Å; N392-H394 PolarHBondContact OD1-CE1 2.97Å; H394-I556 WeakPolarHBondContact CE1-CD1 3.22Å; H394-I556 WeakPolarHBondContact ND1-CD1 3.14Å; H394-Y562 HydrophobicContact CB-CE2 3.69Å; H394-R568 PolarHBondContact O-NH2 3.46Å; H394-R568 VanDerWaalsContact O-NH2 3.14Å; H394-H642 AromaticContact NE2-NE2 3.9Å; H394-R643 PolarHBondContact O-NH1 3.47Å
395	L	92.2	Very high	87.6	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-85.6	-23.1	171.6	-73.1	172.2	0	0	0	113.3	W357 N392 G393 P397 D398 P615 I616 R643 F646	W357-L395 HydrophobicContact CH2-CB 4.12Å; N392-L395 WeakPolarHBondContact O-CB 3.26Å; N392-L395 PolarHBondContact O-N 3.38Å; G393-L395 PolarHBondContact O-N 3.48Å; L395-P397 VanDerWaalsContact C-CD 3.47Å; L395-D398 VanDerWaalsContact O-CB 3.28Å; L395-D398 WeakPolarHBondContact O-CB 3.3Å; L395-D398 PolarHBondContact O-N 3.27Å; L395-P615 HydrophobicContact CD1-CB 4.26Å; L395-I616 HydrophobicContact CD1-CG1 4.35Å; L395-R643 HydrophobicContact CD2-CG 4.21Å; L395-F646 HydrophobicContact CB-CD1 4.25Å; L395-F646 HydrophobicContact CB-CE1 4.01Å; L395-F646 HydrophobicContact CB-CE2 4.29Å; L395-F646 HydrophobicContact CB-CZ 4.03Å; L395-F646 HydrophobicContact CD1-CD2 4Å; L395-F646 HydrophobicContact CD1-CE2 4.29Å; L395-F646 HydrophobicContact CD1-CG 4.25Å; L395-F646 HydrophobicContact CD2-CB 4.36Å; L395-F646 HydrophobicContact CD2-CD1 4.23Å; L395-F646 HydrophobicContact CD2-CG 4.21Å; L395-F646 WeakPolarHBondContact O-CE1 3.43Å
396	A	94	Very high	88.9	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-57.9	-37.9	-176.7	0	0	0	0	0	113.9	W357 I358 G393 D398 I399	W357-A396 HydrophobicContact CB-CB 4.37Å; W357-A396 HydrophobicContact CD2-CB 3.87Å; W357-A396 HydrophobicContact CE3-CB 3.57Å; W357-A396 HydrophobicContact CG-CB 4.23Å; W357-A396 HydrophobicContact CZ3-CB 4.13Å; I358-A396 HydrophobicContact CD1-CB 4.33Å; I358-A396 HydrophobicContact CG1-CB 3.54Å; G393-A396 VanDerWaalsContact O-CB 3.27Å; G393-A396 WeakPolarHBondContact O-CB 3.25Å; G393-A396 PolarHBondContact O-N 3.47Å; A396-D398 PolarHBondContact O-N 3.03Å; A396-I399 WeakPolarHBondContact O-CB 3.1Å; A396-I399 PolarHBondContact O-N 2.95Å; A396-I399 VanDerWaalsContact O-N 3.11Å
397	P	94.6	Very high	90	Very high	4 Å²	4	13.1 Å²	13.1	3%	0.026	7%	0.065	C	C	.	.	H	α-helix	trans	-57.7	-26.8	172.1	-26.4	36.2	0	0	0	114.4	I358 L395 I399 F400 F401 W500 Y501	I358-P397 HydrophobicContact CD1-CG 4.45Å; L395-P397 VanDerWaalsContact C-CD 3.47Å; P397-I399 VanDerWaalsContact C-N 3.28Å; P397-I399 PolarHBondContact O-N 3.27Å; P397-F400 WeakPolarHBondContact O-CB 3.5Å; P397-F400 PolarHBondContact O-N 3.44Å; P397-F400 VanDerWaalsContact O-N 3.07Å; P397-F401 WeakPolarHBondContact O-CD2 3.47Å; P397-F401 PolarHBondContact O-N 3.47Å; P397-W500 HydrophobicContact CB-CH2 4.04Å; P397-W500 HydrophobicContact CB-CZ2 4.26Å; P397-W500 HydrophobicContact CG-CH2 4.44Å; P397-W500 HydrophobicContact CG-CZ2 4.2Å; P397-Y501 HydrophobicContact CB-CD2 4.17Å
398	D	95.4	Very high	91	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-67.6	-29.6	178.4	-64.3	-45.4	0	0	0	111.8	L395 A396 F400 F401 F402 R568 A571 R643 F646	L395-D398 VanDerWaalsContact O-CB 3.28Å; L395-D398 WeakPolarHBondContact O-CB 3.3Å; L395-D398 PolarHBondContact O-N 3.27Å; A396-D398 PolarHBondContact O-N 3.03Å; D398-F400 VanDerWaalsContact C-N 3.28Å; D398-F400 PolarHBondContact O-N 3.34Å; D398-F401 PolarHBondContact O-N 2.72Å; D398-F402 VanDerWaalsContact O-CB 3.31Å; D398-F402 WeakPolarHBondContact O-CB 3.26Å; D398-F402 PolarHBondContact O-N 3.44Å; D398-R568 IonicContact OD1-CZ 2.64Å; D398-R568 IonicContact OD1-NH1 2.64Å; D398-R568 PolarHBondContact OD1-NH1 3.43Å; D398-R568 IonicContact OD2-CZ 3.06Å; D398-R568 IonicContact OD2-NH1 3.41Å; D398-R568 PolarHBondContact OD2-NH1 3.23Å; D398-A571 HydrophobicContact CB-CB 4.09Å; D398-R643 IonicContact OD2-CZ 3.6Å; D398-R643 IonicContact OD2-NH1 3.3Å; D398-R643 PolarHBondContact OD2-NH1 2.98Å; D398-F646 HydrophobicContact CB-CD1 4.32Å; D398-F646 HydrophobicContact CB-CE1 4.36Å
399	I	96.8	Very high	92	Very high	7 Å²	7	13.8 Å²	13.8	4%	0.036	7%	0.068	C	C	.	.	H	α-helix	trans	-63	-39.4	171.4	-54.2	177.4	0	0	0	110.1	I350 S354 W357 A396 P397 F402 M403 F646 I650	I350-I399 HydrophobicContact CG2-CG2 3.55Å; S354-I399 WeakPolarHBondContact OG-CD1 3.4Å; W357-I399 HydrophobicContact CE3-CD1 4.43Å; W357-I399 HydrophobicContact CZ3-CD1 4.17Å; A396-I399 WeakPolarHBondContact O-CB 3.1Å; A396-I399 PolarHBondContact O-N 2.95Å; A396-I399 VanDerWaalsContact O-N 3.11Å; P397-I399 VanDerWaalsContact C-N 3.28Å; P397-I399 PolarHBondContact O-N 3.27Å; I399-F402 PolarHBondContact O-N 2.82Å; I399-M403 HydrophobicContact CG2-CE 4.02Å; I399-M403 WeakPolarHBondContact O-CB 3.4Å; I399-M403 VanDerWaalsContact O-CG 3.31Å; I399-M403 WeakPolarHBondContact O-CG 3.45Å; I399-M403 PolarHBondContact O-N 3.21Å; I399-F646 HydrophobicContact CD1-CE1 4.31Å; I399-F646 HydrophobicContact CD1-CZ 3.94Å; I399-F646 HydrophobicContact CG1-CE1 3.72Å; I399-F646 HydrophobicContact CG1-CZ 3.87Å; I399-I650 HydrophobicContact CD1-CD1 4.49Å; I399-I650 HydrophobicContact CG1-CG1 4.36Å; I399-I650 HydrophobicContact CG2-CG2 4.47Å
400	F	97.1	Very high	92.7	Very high	24 Å²	24	11.8 Å²	11.8	11%	0.105	6%	0.058	C	C	.	.	H	α-helix	trans	-71.6	-41	178.3	-73.4	-85	0	0	0	112.5	R351 S354 M355 I358 P397 D398 F402 M403 S404 Y501 T681	R351-F400 HydrophobicContact CB-CE1 4.33Å; R351-F400 HydrophobicContact CG-CE1 4.19Å; S354-F400 VanDerWaalsContact CB-CE2 3.46Å; M355-F400 HydrophobicContact CB-CZ 4.37Å; I358-F400 HydrophobicContact CD1-CD2 3.8Å; I358-F400 HydrophobicContact CD1-CE2 3.42Å; I358-F400 VanDerWaalsContact CD1-CE2 3.42Å; I358-F400 HydrophobicContact CD1-CZ 4.4Å; P397-F400 WeakPolarHBondContact O-CB 3.5Å; P397-F400 PolarHBondContact O-N 3.44Å; P397-F400 VanDerWaalsContact O-N 3.07Å; D398-F400 VanDerWaalsContact C-N 3.28Å; D398-F400 PolarHBondContact O-N 3.34Å; F400-F402 VanDerWaalsContact C-N 3.32Å; F400-F402 PolarHBondContact O-N 3.11Å; F400-M403 HydrophobicContact CB-CE 4.46Å; F400-M403 HydrophobicContact CD1-CE 3.6Å; F400-M403 HydrophobicContact CE1-CE 3.93Å; F400-M403 HydrophobicContact CG-CE 3.99Å; F400-M403 PolarHBondContact O-N 2.66Å; F400-S404 WeakPolarHBondContact O-CB 3.37Å; F400-S404 PolarHBondContact O-N 3.12Å; F400-Y501 HydrophobicContact CB-CE1 4.46Å; F400-Y501 HydrophobicContact CB-CE2 3.6Å; F400-Y501 WeakPolarHBondContact CB-OH 3.23Å; F400-T681 HydrophobicContact CE1-CG2 3.66Å; F400-T681 HydrophobicContact CZ-CG2 3.8Å
401	F	97.2	Very high	93.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-58.1	-46.1	170.8	-73.1	-49.8	0	0	0	111.6	P397 D398 S404 G405 W500 Y501 N504 D505 Y508 A571 Y572	P397-F401 WeakPolarHBondContact O-CD2 3.47Å; P397-F401 PolarHBondContact O-N 3.47Å; D398-F401 PolarHBondContact O-N 2.72Å; F401-S404 PolarHBondContact O-N 3.35Å; F401-G405 PolarHBondContact O-N 3.41Å; F401-W500 HydrophobicContact CE2-CH2 4.09Å; F401-W500 AromaticContact CE2-CZ3 3.83Å; F401-W500 HydrophobicContact CE2-CZ3 3.83Å; F401-W500 HydrophobicContact CZ-CH2 4.38Å; F401-W500 AromaticContact CZ-CZ3 3.78Å; F401-W500 HydrophobicContact CZ-CZ3 3.78Å; F401-Y501 AromaticContact CD1-CD2 3.93Å; F401-Y501 HydrophobicContact CD1-CD2 3.93Å; F401-Y501 AromaticContact CD1-CE2 3.56Å; F401-Y501 HydrophobicContact CD1-CE2 3.56Å; F401-Y501 HydrophobicContact CD2-CD2 4.25Å; F401-Y501 HydrophobicContact CD2-CE2 4.32Å; F401-Y501 AromaticContact CE1-CD2 3.42Å; F401-Y501 HydrophobicContact CE1-CD2 3.42Å; F401-Y501 VanDerWaalsContact CE1-CD2 3.42Å; F401-Y501 AromaticContact CE1-CE2 3.51Å; F401-Y501 HydrophobicContact CE1-CE2 3.51Å; F401-Y501 HydrophobicContact CE1-CG 4.41Å; F401-Y501 WeakPolarHBondContact CE1-O 3.38Å; F401-Y501 AromaticContact CE2-CD2 3.79Å; F401-Y501 HydrophobicContact CE2-CD2 3.79Å; F401-Y501 HydrophobicContact CE2-CE2 4.28Å; F401-Y501 HydrophobicContact CG-CD2 4.31Å; F401-Y501 AromaticContact CG-CE2 3.96Å; F401-Y501 HydrophobicContact CG-CE2 3.96Å; F401-Y501 AromaticContact CZ-CD2 3.34Å; F401-Y501 HydrophobicContact CZ-CD2 3.34Å; F401-Y501 AromaticContact CZ-CE2 3.9Å; F401-Y501 HydrophobicContact CZ-CE2 3.9Å; F401-Y501 HydrophobicContact CZ-CG 4.28Å; F401-N504 HydrophobicContact CE1-CB 3.58Å; F401-N504 HydrophobicContact CZ-CB 3.57Å; F401-D505 HydrophobicContact CD1-CB 4.44Å; F401-D505 HydrophobicContact CE1-CB 4.13Å; F401-Y508 HydrophobicContact CD1-CD2 4.03Å; F401-Y508 AromaticContact CD1-CE2 3.79Å; F401-Y508 HydrophobicContact CD1-CE2 3.79Å; F401-Y508 HydrophobicContact CE1-CD2 4.18Å; F401-Y508 AromaticContact CE1-CE2 3.73Å; F401-Y508 HydrophobicContact CE1-CE2 3.73Å; F401-Y508 HydrophobicContact CG-CE2 4.42Å; F401-Y508 HydrophobicContact CZ-CE2 4.3Å; F401-A571 HydrophobicContact CB-CB 4.29Å; F401-Y572 WeakPolarHBondContact O-CD2 3.28Å
402	F	98	Very high	94	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-57.2	-51	175.5	168.1	-90.8	0	0	0	111.9	D398 I399 F400 S404 G405 L406 I574 G575 T578 T647 I650 G651 V654	D398-F402 VanDerWaalsContact O-CB 3.31Å; D398-F402 WeakPolarHBondContact O-CB 3.26Å; D398-F402 PolarHBondContact O-N 3.44Å; I399-F402 PolarHBondContact O-N 2.82Å; F400-F402 VanDerWaalsContact C-N 3.32Å; F400-F402 PolarHBondContact O-N 3.11Å; F402-S404 VanDerWaalsContact C-N 3.32Å; F402-S404 PolarHBondContact O-N 3.48Å; F402-G405 PolarHBondContact O-N 2.97Å; F402-L406 HydrophobicContact CE1-CD1 3.75Å; F402-L406 HydrophobicContact CZ-CD1 3.59Å; F402-L406 VanDerWaalsContact O-CB 3.31Å; F402-L406 WeakPolarHBondContact O-CB 3.4Å; F402-L406 PolarHBondContact O-N 2.86Å; F402-I574 HydrophobicContact CD2-CG2 4.21Å; F402-I574 HydrophobicContact CE2-CG2 4.32Å; F402-G575 VanDerWaalsContact CD2-CA 3.43Å; F402-G575 VanDerWaalsContact O-CA 3.29Å; F402-G575 WeakPolarHBondContact O-CA 3.3Å; F402-T578 HydrophobicContact CE2-CG2 4.29Å; F402-T578 HydrophobicContact CZ-CG2 4.01Å; F402-T647 HydrophobicContact CB-CG2 3.79Å; F402-T647 HydrophobicContact CD2-CG2 3.78Å; F402-T647 HydrophobicContact CG-CG2 4.12Å; F402-I650 HydrophobicContact CD1-CG2 3.84Å; F402-I650 HydrophobicContact CE1-CG2 4.03Å; F402-I650 HydrophobicContact CG-CG2 4.31Å; F402-G651 VanDerWaalsContact CE2-CA 3.42Å; F402-V654 HydrophobicContact CE1-CB 3.97Å; F402-V654 HydrophobicContact CE1-CG1 3.98Å; F402-V654 HydrophobicContact CE1-CG2 3.82Å; F402-V654 HydrophobicContact CZ-CB 4.01Å; F402-V654 HydrophobicContact CZ-CG1 4.1Å; F402-V654 HydrophobicContact CZ-CG2 4.31Å
403	M	97	Very high	94.2	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.02	7%	0.07	C	C	.	.	H	α-helix	trans	-63.5	-38.9	-179.9	-75	-173.6	-64.1	0	0	112.2	L347 I350 R351 I399 F400 L407	L347-M403 HydrophobicContact CB-SD 4.5Å; L347-M403 HydrophobicContact CD2-CG 4.41Å; L347-M403 HydrophobicContact CD2-SD 4.42Å; I350-M403 HydrophobicContact CB-SD 4.43Å; I350-M403 HydrophobicContact CG2-CE 4.47Å; I350-M403 HydrophobicContact CG2-SD 3.96Å; R351-M403 HydrophobicContact CB-CE 4.47Å; R351-M403 HydrophobicContact CG-CE 3.49Å; R351-M403 VanDerWaalsContact CG-CE 3.49Å; R351-M403 HydrophobicContact CG-SD 3.65Å; I399-M403 HydrophobicContact CG2-CE 4.02Å; I399-M403 WeakPolarHBondContact O-CB 3.4Å; I399-M403 VanDerWaalsContact O-CG 3.31Å; I399-M403 WeakPolarHBondContact O-CG 3.45Å; I399-M403 PolarHBondContact O-N 3.21Å; F400-M403 HydrophobicContact CB-CE 4.46Å; F400-M403 HydrophobicContact CD1-CE 3.6Å; F400-M403 HydrophobicContact CE1-CE 3.93Å; F400-M403 HydrophobicContact CG-CE 3.99Å; F400-M403 PolarHBondContact O-N 2.66Å; M403-L407 WeakPolarHBondContact O-CB 3.22Å; M403-L407 VanDerWaalsContact O-CG 3.29Å; M403-L407 WeakPolarHBondContact O-CG 3.35Å; M403-L407 PolarHBondContact O-N 3.22Å
404	S	96.3	Very high	94.2	Very high	22 Å²	22	13.6 Å²	13.6	15%	0.154	7%	0.074	C	C	.	.	H	α-helix	trans	-62.6	-50.6	176.8	-171	0	0	0	0	110.7	F400 F401 F402 L406 L407 M408 R436 D505	F400-S404 WeakPolarHBondContact O-CB 3.37Å; F400-S404 PolarHBondContact O-N 3.12Å; F401-S404 PolarHBondContact O-N 3.35Å; F402-S404 VanDerWaalsContact C-N 3.32Å; F402-S404 PolarHBondContact O-N 3.48Å; S404-L406 PolarHBondContact O-N 2.96Å; S404-L407 PolarHBondContact O-N 2.62Å; S404-M408 WeakPolarHBondContact O-CB 3.46Å; S404-M408 PolarHBondContact O-N 2.98Å; S404-R436 PolarHBondContact OG-NH2 2.91Å; S404-R436 VanDerWaalsContact OG-NH2 3.11Å; S404-D505 WeakPolarHBondContact CB-OD1 3.27Å; S404-D505 PolarHBondContact OG-OD1 3.22Å
405	G	97.4	Very high	94.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.8	-42.4	176.6	0	0	0	0	0	113.2	F401 F402 M408 C409 M576	F401-G405 PolarHBondContact O-N 3.41Å; F402-G405 PolarHBondContact O-N 2.97Å; G405-M408 PolarHBondContact O-N 2.91Å; G405-C409 WeakPolarHBondContact O-CB 3.47Å; G405-C409 PolarHBondContact O-N 3.12Å; G405-M576 WeakPolarHBondContact O-CA 3.5Å
406	L	97	Very high	94.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60	-53.7	177.3	-179.7	158.5	0	0	0	111.5	L344 F402 S404 M408 C409 Y410 G575 T578 G579 L582 V654	L344-L406 HydrophobicContact CD1-CD2 4.21Å; F402-L406 HydrophobicContact CE1-CD1 3.75Å; F402-L406 HydrophobicContact CZ-CD1 3.59Å; F402-L406 VanDerWaalsContact O-CB 3.31Å; F402-L406 WeakPolarHBondContact O-CB 3.4Å; F402-L406 PolarHBondContact O-N 2.86Å; S404-L406 PolarHBondContact O-N 2.96Å; L406-M408 VanDerWaalsContact C-N 3.34Å; L406-C409 PolarHBondContact O-N 2.98Å; L406-Y410 WeakPolarHBondContact O-CB 3.24Å; L406-Y410 PolarHBondContact O-N 3.08Å; L406-G575 WeakPolarHBondContact CA-O 3.41Å; L406-G575 WeakPolarHBondContact CB-O 3.49Å; L406-G575 VanDerWaalsContact N-C 3.33Å; L406-G575 PolarHBondContact N-O 3.25Å; L406-T578 HydrophobicContact CD1-CG2 3.86Å; L406-G579 WeakPolarHBondContact O-CA 3.21Å; L406-L582 HydrophobicContact CD1-CD1 4.03Å; L406-L582 HydrophobicContact CD2-CD1 4.2Å; L406-L582 HydrophobicContact CG-CD1 4.25Å; L406-V654 HydrophobicContact CD1-CG1 3.65Å
407	L	95	Very high	93.7	Very high	33 Å²	33	23.2 Å²	23.2	17%	0.173	12%	0.116	C	C	.	.	H	α-helix	trans	-67.6	-38.5	-178.1	-69.4	170.8	0	0	0	111.3	L344 L347 M403 S404 L411	L344-L407 HydrophobicContact CD1-CD2 3.8Å; L347-L407 HydrophobicContact CD1-CD1 4.39Å; L347-L407 HydrophobicContact CD1-CD2 4.01Å; L347-L407 HydrophobicContact CD1-CG 4.32Å; M403-L407 WeakPolarHBondContact O-CB 3.22Å; M403-L407 VanDerWaalsContact O-CG 3.29Å; M403-L407 WeakPolarHBondContact O-CG 3.35Å; M403-L407 PolarHBondContact O-N 3.22Å; S404-L407 PolarHBondContact O-N 2.62Å; L407-L411 VanDerWaalsContact O-CB 3.26Å; L407-L411 WeakPolarHBondContact O-CB 3.48Å; L407-L411 VanDerWaalsContact O-CG 3.24Å; L407-L411 WeakPolarHBondContact O-CG 3.18Å; L407-L411 PolarHBondContact O-N 3.47Å
408	M	94.7	Very high	93.4	Very high	21 Å²	21	29.2 Å²	29.2	10%	0.103	15%	0.147	C	C	.	.	H	α-helix	trans	-58.3	-50.6	175.9	-173.7	59.6	61.5	0	0	110.7	S404 G405 L406 C412 L432 T509 A513	S404-M408 WeakPolarHBondContact O-CB 3.46Å; S404-M408 PolarHBondContact O-N 2.98Å; G405-M408 PolarHBondContact O-N 2.91Å; L406-M408 VanDerWaalsContact C-N 3.34Å; M408-C412 WeakPolarHBondContact O-CB 3.5Å; M408-C412 PolarHBondContact O-N 2.83Å; M408-C412 VanDerWaalsContact O-N 3.08Å; M408-C412 PolarHBondContact O-SG 3.37Å; M408-C412 VanDerWaalsContact SD-SG 3.62Å; M408-L432 HydrophobicContact SD-CD2 3.81Å; M408-T509 HydrophobicContact CE-CG2 3.37Å; M408-T509 HydrophobicContact SD-CG2 4.09Å; M408-A513 HydrophobicContact CG-CB 3.78Å
409	C	95.4	Very high	93.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-68.1	-49.6	-179.7	-166	0	0	0	0	112.3	G405 L406 L411 M413 I517 M576	G405-C409 WeakPolarHBondContact O-CB 3.47Å; G405-C409 PolarHBondContact O-N 3.12Å; L406-C409 PolarHBondContact O-N 2.98Å; C409-L411 PolarHBondContact O-N 2.94Å; C409-M413 WeakPolarHBondContact O-CB 3.37Å; C409-M413 PolarHBondContact O-N 3.39Å; C409-I517 HydrophobicContact CB-CD1 4.34Å; C409-M576 HydrophobicContact CB-CB 4.18Å; C409-M576 HydrophobicContact CB-CE 4.26Å; C409-M576 WeakPolarHBondContact CB-O 3.47Å; C409-M576 PolarHBondContact SG-O 3.47Å; C409-M576 VanDerWaalsContact SG-O 3.36Å
410	Y	93.1	Very high	92.6	Very high	20 Å²	20	38.8 Å²	38.8	8%	0.078	20%	0.197	C	C	.	.	H	α-helix	trans	-58.5	-47.5	-177.7	177.2	-109.4	0	0	0	112.4	Y340 I342 L344 L406 L582	Y340-Y410 PolarHBondContact O-OH 3.08Å; I342-Y410 PolarHBondContact N-OH 3.13Å; L344-Y410 HydrophobicContact CD1-CD1 4.08Å; L344-Y410 HydrophobicContact CD1-CE1 4.14Å; L406-Y410 WeakPolarHBondContact O-CB 3.24Å; L406-Y410 PolarHBondContact O-N 3.08Å; Y410-L582 HydrophobicContact CD2-CB 4.04Å; Y410-L582 HydrophobicContact CE2-CB 4.35Å
411	L	90.8	Very high	92.2	Very high	105 Å²	105	39.6 Å²	39.6	55%	0.55	21%	0.212	S	C	.	.	H	α-helix	trans	-76.1	-39.7	-177.3	-62.6	174.2	0	0	0	112.7	L407 C409	L407-L411 VanDerWaalsContact O-CB 3.26Å; L407-L411 WeakPolarHBondContact O-CB 3.48Å; L407-L411 VanDerWaalsContact O-CG 3.24Å; L407-L411 WeakPolarHBondContact O-CG 3.18Å; L407-L411 PolarHBondContact O-N 3.47Å; C409-L411 PolarHBondContact O-N 2.94Å
412	C	92.9	Very high	91.9	Very high	5 Å²	5	45 Å²	45	3%	0.034	25%	0.245	C	C	.	.	H	α-helix	trans	-72.2	-34.3	-179.3	-66.6	0	0	0	0	111.9	M408 G414 R415 L416 F428 I517	M408-C412 WeakPolarHBondContact O-CB 3.5Å; M408-C412 PolarHBondContact O-N 2.83Å; M408-C412 VanDerWaalsContact O-N 3.08Å; M408-C412 PolarHBondContact O-SG 3.37Å; M408-C412 VanDerWaalsContact SD-SG 3.62Å; C412-G414 PolarHBondContact O-N 2.92Å; C412-R415 PolarHBondContact O-N 3.15Å; C412-R415 VanDerWaalsContact O-N 3.16Å; C412-L416 VanDerWaalsContact O-CB 3.28Å; C412-L416 WeakPolarHBondContact O-CB 3.4Å; C412-L416 PolarHBondContact O-N 3.17Å; C412-F428 HydrophobicContact CB-CE1 4.24Å; C412-F428 HydrophobicContact CB-CZ 4.05Å; C412-I517 HydrophobicContact CB-CD1 3.64Å
413	M	90.4	Very high	91.6	Very high	9 Å²	9	53.7 Å²	53.7	4%	0.044	28%	0.282	C	S	.	.	H	α-helix	trans	-59.6	-48.8	180	-163.5	66.7	-179	0	0	111.2	C409 R415 L416 T417 I517 L520 V521 Y583	C409-M413 WeakPolarHBondContact O-CB 3.37Å; C409-M413 PolarHBondContact O-N 3.39Å; M413-R415 PolarHBondContact O-N 3.48Å; M413-R415 VanDerWaalsContact O-N 3.13Å; M413-L416 PolarHBondContact O-N 2.93Å; M413-T417 HydrophobicContact CE-CG2 3.76Å; M413-T417 HydrophobicContact CG-CG2 4.18Å; M413-T417 VanDerWaalsContact O-CG2 3.29Å; M413-T417 WeakPolarHBondContact O-CG2 3.5Å; M413-T417 PolarHBondContact O-N 3.4Å; M413-T417 VanDerWaalsContact O-N 3.08Å; M413-T417 PolarHBondContact O-OG1 2.85Å; M413-T417 HydrophobicContact SD-CG2 4.19Å; M413-I517 HydrophobicContact SD-CG2 3.87Å; M413-L520 HydrophobicContact CE-CB 4.37Å; M413-V521 HydrophobicContact CE-CG2 3.64Å; M413-V521 HydrophobicContact SD-CG2 3.69Å; M413-Y583 HydrophobicContact CB-CD1 4.05Å; M413-Y583 HydrophobicContact CB-CD2 4.09Å; M413-Y583 HydrophobicContact CB-CE1 4.28Å; M413-Y583 HydrophobicContact CB-CE2 4.34Å; M413-Y583 HydrophobicContact CB-CG 3.94Å; M413-Y583 HydrophobicContact CE-CE1 4.46Å; M413-Y583 HydrophobicContact CG-CD1 3.36Å; M413-Y583 HydrophobicContact CG-CD2 4.24Å; M413-Y583 HydrophobicContact CG-CE1 3.42Å; M413-Y583 VanDerWaalsContact CG-CE1 3.42Å; M413-Y583 HydrophobicContact CG-CE2 4.31Å; M413-Y583 HydrophobicContact CG-CG 3.79Å
414	G	84.9	Confident	91.4	Very high	14 Å²	14	57.2 Å²	57.2	14%	0.144	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-21.4	178.9	0	0	0	0	0	114.8	C412 N418 Y583	C412-G414 PolarHBondContact O-N 2.92Å; G414-N418 PolarHBondContact O-ND2 3.19Å; G414-Y583 VanDerWaalsContact CA-CE2 3.44Å
415	R	88.6	Confident	91.1	Very high	165 Å²	165	58.1 Å²	58.1	62%	0.623	30%	0.303	S	S	*	.	H	α-helix	trans	-90.4	-44.4	175	-65.6	-178.4	69.3	-175.4	0.9	111.9	C412 M413 N418 F428	C412-R415 PolarHBondContact O-N 3.15Å; C412-R415 VanDerWaalsContact O-N 3.16Å; M413-R415 PolarHBondContact O-N 3.48Å; M413-R415 VanDerWaalsContact O-N 3.13Å; R415-N418 PolarHBondContact O-N 2.93Å; R415-F428 HydrophobicContact CB-CE2 3.82Å; R415-F428 HydrophobicContact CB-CZ 4.23Å
416	L	88.7	Confident	90.9	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-71.4	-34.3	-172.5	-168.3	66.1	0	0	0	112.3	C412 M413 N418 L419 H425 F428 W429 I517 V521	C412-L416 VanDerWaalsContact O-CB 3.28Å; C412-L416 WeakPolarHBondContact O-CB 3.4Å; C412-L416 PolarHBondContact O-N 3.17Å; M413-L416 PolarHBondContact O-N 2.93Å; L416-N418 PolarHBondContact O-N 2.85Å; L416-L419 HydrophobicContact CD1-CD1 4.22Å; L416-L419 PolarHBondContact O-N 3.18Å; L416-L419 VanDerWaalsContact O-N 3.09Å; L416-H425 HydrophobicContact CD1-CB 4.24Å; L416-H425 VanDerWaalsContact CD1-CD2 3.43Å; L416-H425 WeakPolarHBondContact CD1-CD2 3.3Å; L416-F428 HydrophobicContact CD1-CD1 3.9Å; L416-F428 HydrophobicContact CD1-CE1 4.36Å; L416-F428 HydrophobicContact CD1-CG 4.39Å; L416-W429 HydrophobicContact CD2-CZ2 4.07Å; L416-I517 HydrophobicContact CD2-CG2 3.71Å; L416-V521 HydrophobicContact CD2-CG2 4.05Å; L416-V521 HydrophobicContact CG-CG2 4.36Å
417	T	87.3	Confident	90.7	Very high	54 Å²	54	70.8 Å²	70.8	33%	0.331	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-24.3	176.4	53.7	0	0	0	0	113.2	M413 V521 Y583	M413-T417 HydrophobicContact CE-CG2 3.76Å; M413-T417 HydrophobicContact CG-CG2 4.18Å; M413-T417 VanDerWaalsContact O-CG2 3.29Å; M413-T417 WeakPolarHBondContact O-CG2 3.5Å; M413-T417 PolarHBondContact O-N 3.4Å; M413-T417 VanDerWaalsContact O-N 3.08Å; M413-T417 PolarHBondContact O-OG1 2.85Å; M413-T417 HydrophobicContact SD-CG2 4.19Å; T417-V521 HydrophobicContact CG2-CG2 4.26Å; T417-Y583 HydrophobicContact CG2-CE1 4.47Å; T417-Y583 PolarHBondContact OG1-OH 3.01Å
418	N	87.3	Confident	90.6	Very high	129 Å²	129	70 Å²	70	69%	0.69	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.7	178.5	-65.3	-35.6	0	0	0	112.9	G414 R415 L416	G414-N418 PolarHBondContact O-ND2 3.19Å; R415-N418 PolarHBondContact O-N 2.93Å; L416-N418 PolarHBondContact O-N 2.85Å
419	L	89.1	Confident	90.6	Very high	56 Å²	56	69.8 Å²	69.8	29%	0.293	36%	0.355	S	S	.	.			trans	-92.1	128.8	-179.8	-67.2	175.8	0	0	0	110.8	L416 H425 F428	L416-L419 HydrophobicContact CD1-CD1 4.22Å; L416-L419 PolarHBondContact O-N 3.18Å; L416-L419 VanDerWaalsContact O-N 3.09Å; L419-H425 PolarHBondContact O-NE2 3.4Å; L419-F428 HydrophobicContact CD1-CB 3.7Å; L419-F428 HydrophobicContact CD1-CD2 4Å; L419-F428 HydrophobicContact CD1-CG 3.94Å
420	I	87.2	Confident	90.4	Very high	152 Å²	152	72.7 Å²	72.7	78%	0.779	38%	0.375	S	S	*	.			trans	-105.1	133.1	176.3	-55.7	170.2	0	0	0	108.9	N424	I420-N424 PolarHBondContact O-ND2 2.71Å
421	G	88.9	Confident	90.4	Very high	41 Å²	41	75.2 Å²	75.2	42%	0.423	39%	0.389	S	S	.	.	S	Bend	trans	92.4	142.7	173	0	0	0	0	0	115.4	K423 N424 H425	G421-K423 VanDerWaalsContact C-N 3.34Å; G421-K423 PolarHBondContact O-N 3.14Å; G421-N424 PolarHBondContact O-N 2.8Å; G421-N424 VanDerWaalsContact O-N 3.14Å; G421-H425 PolarHBondContact O-N 3.46Å
422	V	89.8	Confident	90.4	Very high	115 Å²	115	71.5 Å²	71.5	70%	0.697	37%	0.369	S	S	*	.	H	α-helix	trans	-59.3	-39.9	-174.6	-179.3	0	0	0	0	112.5	N424 H425 M426	V422-N424 VanDerWaalsContact C-N 3.3Å; V422-N424 PolarHBondContact O-N 3.13Å; V422-H425 PolarHBondContact O-N 2.69Å; V422-M426 HydrophobicContact CG1-CG 4.3Å; V422-M426 WeakPolarHBondContact O-CG 3.19Å; V422-M426 PolarHBondContact O-N 3.28Å
423	K	92.5	Very high	90.4	Very high	181 Å²	181	73.2 Å²	73.2	79%	0.787	38%	0.377	S	S	*	.	H	α-helix	trans	-60.2	-39.5	179	-173.9	178.5	179.6	179.4	0	112.2	G421 K427	G421-K423 VanDerWaalsContact C-N 3.34Å; G421-K423 PolarHBondContact O-N 3.14Å; K423-K427 WeakPolarHBondContact O-CB 3.44Å; K423-K427 PolarHBondContact O-N 2.91Å
424	N	91.8	Very high	90.5	Very high	79 Å²	79	75.8 Å²	75.8	42%	0.422	39%	0.394	S	S	.	.	H	α-helix	trans	-72.4	-36.5	179.1	-70.1	-27.3	0	0	0	111.6	I420 G421 V422 K427 F428	I420-N424 PolarHBondContact O-ND2 2.71Å; G421-N424 PolarHBondContact O-N 2.8Å; G421-N424 VanDerWaalsContact O-N 3.14Å; V422-N424 VanDerWaalsContact C-N 3.3Å; V422-N424 PolarHBondContact O-N 3.13Å; N424-K427 PolarHBondContact O-N 3.18Å; N424-F428 WeakPolarHBondContact O-CB 3.4Å; N424-F428 PolarHBondContact O-N 3.25Å
425	H	90.9	Very high	90.9	Very high	41 Å²	41	78.3 Å²	78.3	19%	0.19	40%	0.402	C	S	.	.	H	α-helix	trans	-63.5	-45.9	172.1	-66.8	175.8	0	0	0	111.7	L416 L419 G421 V422 K427 F428 W429	L416-H425 HydrophobicContact CD1-CB 4.24Å; L416-H425 VanDerWaalsContact CD1-CD2 3.43Å; L416-H425 WeakPolarHBondContact CD1-CD2 3.3Å; L419-H425 PolarHBondContact O-NE2 3.4Å; G421-H425 PolarHBondContact O-N 3.46Å; V422-H425 PolarHBondContact O-N 2.69Å; H425-K427 PolarHBondContact O-N 3.3Å; H425-F428 WeakPolarHBondContact O-CB 3.34Å; H425-F428 PolarHBondContact O-N 3.18Å; H425-W429 PolarHBondContact O-N 3.01Å
426	M	92.5	Very high	91	Very high	127 Å²	127	72 Å²	72	63%	0.626	38%	0.378	S	S	*	.	H	α-helix	trans	-61.9	-43	176.8	-71.2	-59.9	-66.5	0	0	112.1	V422 F428 W429 S430	V422-M426 HydrophobicContact CG1-CG 4.3Å; V422-M426 WeakPolarHBondContact O-CG 3.19Å; V422-M426 PolarHBondContact O-N 3.28Å; M426-F428 VanDerWaalsContact C-N 3.33Å; M426-F428 PolarHBondContact O-N 3.18Å; M426-W429 PolarHBondContact O-N 3.48Å; M426-S430 WeakPolarHBondContact O-CB 3.28Å; M426-S430 PolarHBondContact O-N 3.43Å; M426-S430 PolarHBondContact O-OG 3.42Å
427	K	93.1	Very high	91.2	Very high	138 Å²	138	74.6 Å²	74.6	60%	0.6	39%	0.389	S	S	*	.	H	α-helix	trans	-62.8	-39.1	174.7	-175	179.8	178.2	-177.9	0	112	K423 N424 H425 S430 M431	K423-K427 WeakPolarHBondContact O-CB 3.44Å; K423-K427 PolarHBondContact O-N 2.91Å; N424-K427 PolarHBondContact O-N 3.18Å; H425-K427 PolarHBondContact O-N 3.3Å; K427-S430 WeakPolarHBondContact CA-OG 3.41Å; K427-S430 PolarHBondContact O-OG 3.02Å; K427-S430 VanDerWaalsContact O-OG 3.06Å; K427-M431 HydrophobicContact CG-CG 4.35Å; K427-M431 VanDerWaalsContact O-CB 3.3Å; K427-M431 WeakPolarHBondContact O-CB 3.23Å; K427-M431 WeakPolarHBondContact O-CG 3.42Å; K427-M431 PolarHBondContact O-N 2.85Å
428	F	93.1	Very high	91.4	Very high	18 Å²	18	74.8 Å²	74.8	8%	0.079	39%	0.387	C	S	.	.	H	α-helix	trans	-62	-49.6	177.1	171.1	-95.1	0	0	0	111.4	C412 R415 L416 L419 N424 H425 M426 M431 L432	C412-F428 HydrophobicContact CB-CE1 4.24Å; C412-F428 HydrophobicContact CB-CZ 4.05Å; R415-F428 HydrophobicContact CB-CE2 3.82Å; R415-F428 HydrophobicContact CB-CZ 4.23Å; L416-F428 HydrophobicContact CD1-CD1 3.9Å; L416-F428 HydrophobicContact CD1-CE1 4.36Å; L416-F428 HydrophobicContact CD1-CG 4.39Å; L419-F428 HydrophobicContact CD1-CB 3.7Å; L419-F428 HydrophobicContact CD1-CD2 4Å; L419-F428 HydrophobicContact CD1-CG 3.94Å; N424-F428 WeakPolarHBondContact O-CB 3.4Å; N424-F428 PolarHBondContact O-N 3.25Å; H425-F428 WeakPolarHBondContact O-CB 3.34Å; H425-F428 PolarHBondContact O-N 3.18Å; M426-F428 VanDerWaalsContact C-N 3.33Å; M426-F428 PolarHBondContact O-N 3.18Å; F428-M431 PolarHBondContact O-N 3.44Å; F428-L432 HydrophobicContact CE1-CD2 4.48Å; F428-L432 WeakPolarHBondContact O-CB 3.3Å; F428-L432 PolarHBondContact O-N 2.74Å
429	W	93.8	Very high	91.6	Very high	16 Å²	16	73.6 Å²	73.6	6%	0.061	37%	0.373	C	S	.	.	H	α-helix	trans	-66	-42.5	179.9	-74	118.1	0	0	0	112.7	L416 H425 M426 M431 L432 I433 A513 P514 I517	L416-W429 HydrophobicContact CD2-CZ2 4.07Å; H425-W429 PolarHBondContact O-N 3.01Å; M426-W429 PolarHBondContact O-N 3.48Å; W429-M431 PolarHBondContact O-N 2.95Å; W429-L432 HydrophobicContact CE3-CD2 3.67Å; W429-L432 HydrophobicContact CZ3-CD2 3.52Å; W429-L432 PolarHBondContact O-N 3.01Å; W429-I433 VanDerWaalsContact O-CG1 3.27Å; W429-I433 WeakPolarHBondContact O-CG1 3.44Å; W429-I433 PolarHBondContact O-N 3.28Å; W429-A513 HydrophobicContact CH2-CB 4.42Å; W429-A513 HydrophobicContact CZ3-CB 4.41Å; W429-P514 HydrophobicContact CD2-CB 3.85Å; W429-P514 HydrophobicContact CD2-CG 3.9Å; W429-P514 HydrophobicContact CE3-CB 4.04Å; W429-P514 HydrophobicContact CE3-CG 3.58Å; W429-P514 HydrophobicContact CG-CB 4.3Å; W429-P514 HydrophobicContact CH2-CB 4.32Å; W429-P514 HydrophobicContact CH2-CG 4.26Å; W429-P514 VanDerWaalsContact CZ2-CA 3.46Å; W429-P514 HydrophobicContact CZ2-CB 4.22Å; W429-P514 HydrophobicContact CZ3-CB 4.24Å; W429-P514 HydrophobicContact CZ3-CG 3.75Å; W429-I517 HydrophobicContact CH2-CB 4.22Å; W429-I517 HydrophobicContact CH2-CD1 3.88Å; W429-I517 HydrophobicContact CH2-CG1 4.36Å; W429-I517 HydrophobicContact CZ2-CB 4.02Å; W429-I517 HydrophobicContact CZ2-CD1 4.44Å; W429-I517 HydrophobicContact CZ2-CG2 4.4Å
430	S	92.7	Very high	91.8	Very high	61 Å²	61	71.9 Å²	71.9	43%	0.427	36%	0.364	S	S	.	.	H	α-helix	trans	-62	-44.2	177.4	66.1	0	0	0	0	111.8	M426 K427 L432 I433 V434	M426-S430 WeakPolarHBondContact O-CB 3.28Å; M426-S430 PolarHBondContact O-N 3.43Å; M426-S430 PolarHBondContact O-OG 3.42Å; K427-S430 WeakPolarHBondContact CA-OG 3.41Å; K427-S430 PolarHBondContact O-OG 3.02Å; K427-S430 VanDerWaalsContact O-OG 3.06Å; S430-L432 PolarHBondContact O-N 3.4Å; S430-I433 PolarHBondContact O-N 2.91Å; S430-V434 WeakPolarHBondContact O-CG2 3.44Å; S430-V434 PolarHBondContact O-N 2.94Å
431	M	92	Very high	92.1	Very high	73 Å²	73	65.6 Å²	65.6	36%	0.36	33%	0.333	S	S	.	.	H	α-helix	trans	-63.3	-40.3	175.9	-73	-71.6	-60.7	0	0	112.3	K427 F428 W429 V434 H435 F744	K427-M431 HydrophobicContact CG-CG 4.35Å; K427-M431 VanDerWaalsContact O-CB 3.3Å; K427-M431 WeakPolarHBondContact O-CB 3.23Å; K427-M431 WeakPolarHBondContact O-CG 3.42Å; K427-M431 PolarHBondContact O-N 2.85Å; F428-M431 PolarHBondContact O-N 3.44Å; W429-M431 PolarHBondContact O-N 2.95Å; M431-V434 PolarHBondContact O-N 3.43Å; M431-H435 VanDerWaalsContact O-CB 3.26Å; M431-H435 WeakPolarHBondContact O-CB 3.27Å; M431-H435 PolarHBondContact O-N 2.81Å; M431-F744 HydrophobicContact CE-CB 4Å; M431-F744 HydrophobicContact CE-CD1 3.26Å; M431-F744 HydrophobicContact CE-CE1 3.81Å; M431-F744 HydrophobicContact CE-CG 3.75Å; M431-F744 HydrophobicContact SD-CD1 3.97Å; M431-F744 HydrophobicContact SD-CE1 4Å
432	L	91.9	Very high	92.3	Very high	26 Å²	26	65.1 Å²	65.1	14%	0.136	32%	0.323	C	S	.	.	H	α-helix	trans	-64.3	-42.3	178	-176.4	72	0	0	0	111.9	M408 F428 W429 S430 H435 R436	M408-L432 HydrophobicContact SD-CD2 3.81Å; F428-L432 HydrophobicContact CE1-CD2 4.48Å; F428-L432 WeakPolarHBondContact O-CB 3.3Å; F428-L432 PolarHBondContact O-N 2.74Å; W429-L432 HydrophobicContact CE3-CD2 3.67Å; W429-L432 HydrophobicContact CZ3-CD2 3.52Å; W429-L432 PolarHBondContact O-N 3.01Å; S430-L432 PolarHBondContact O-N 3.4Å; L432-H435 PolarHBondContact O-N 3.32Å; L432-R436 WeakPolarHBondContact O-CB 3.21Å; L432-R436 PolarHBondContact O-N 2.9Å
433	I	92.9	Very high	92.6	Very high	41 Å²	41	59.7 Å²	59.7	21%	0.21	29%	0.29	C	S	.	.	H	α-helix	trans	-61.7	-51.7	176.8	-69.9	167.7	0	0	0	109.3	W429 S430 H435 R436 F437 V510	W429-I433 VanDerWaalsContact O-CG1 3.27Å; W429-I433 WeakPolarHBondContact O-CG1 3.44Å; W429-I433 PolarHBondContact O-N 3.28Å; S430-I433 PolarHBondContact O-N 2.91Å; I433-H435 PolarHBondContact O-N 3.15Å; I433-R436 PolarHBondContact O-N 3.27Å; I433-R436 VanDerWaalsContact O-N 3.15Å; I433-F437 HydrophobicContact CG2-CD2 3.66Å; I433-F437 HydrophobicContact CG2-CE2 3.7Å; I433-F437 VanDerWaalsContact O-CD2 3.32Å; I433-F437 WeakPolarHBondContact O-CD2 3.37Å; I433-F437 PolarHBondContact O-N 3.39Å; I433-V510 HydrophobicContact CD1-CG1 4.22Å; I433-V510 HydrophobicContact CD1-CG2 4.47Å; I433-V510 HydrophobicContact CG1-CG2 4.18Å; I433-V510 HydrophobicContact CG2-CG2 4.09Å
434	V	92.6	Very high	92.7	Very high	63 Å²	63	51.2 Å²	51.2	38%	0.382	25%	0.253	S	S	.	.	H	α-helix	trans	-58.5	-46.3	178.9	172.7	0	0	0	0	111.6	S430 M431 R436 F437 I438 F744	S430-V434 WeakPolarHBondContact O-CG2 3.44Å; S430-V434 PolarHBondContact O-N 2.94Å; M431-V434 PolarHBondContact O-N 3.43Å; V434-R436 VanDerWaalsContact C-N 3.28Å; V434-R436 PolarHBondContact O-N 3.01Å; V434-F437 PolarHBondContact O-N 2.99Å; V434-I438 HydrophobicContact CG1-CD1 3.61Å; V434-I438 HydrophobicContact CG1-CG1 4.31Å; V434-I438 WeakPolarHBondContact O-CB 3.37Å; V434-I438 WeakPolarHBondContact O-CG1 3.26Å; V434-I438 PolarHBondContact O-N 3.1Å; V434-F744 HydrophobicContact CG1-CE1 4.47Å; V434-F744 HydrophobicContact CG1-CE2 4.48Å; V434-F744 HydrophobicContact CG1-CZ 3.69Å
435	H	91.5	Very high	92.8	Very high	68 Å²	68	50.1 Å²	50.1	32%	0.315	25%	0.247	S	C	.	.	H	α-helix	trans	-52.7	-47.5	175.7	170.8	62.9	0	0	0	111.7	M431 L432 I433 R439 E740	M431-H435 VanDerWaalsContact O-CB 3.26Å; M431-H435 WeakPolarHBondContact O-CB 3.27Å; M431-H435 PolarHBondContact O-N 2.81Å; L432-H435 PolarHBondContact O-N 3.32Å; I433-H435 PolarHBondContact O-N 3.15Å; H435-R439 WeakPolarHBondContact O-CB 3.4Å; H435-R439 PolarHBondContact O-N 3.47Å; H435-E740 WeakPolarHBondContact CA-OE1 3.49Å; H435-E740 IonicContact CE1-OE1 3.11Å; H435-E740 IonicContact CE1-OE2 2.78Å; H435-E740 PolarHBondContact CE1-OE2 2.9Å; H435-E740 VanDerWaalsContact CE1-OE2 3.27Å; H435-E740 IonicContact CG-OE1 4Å; H435-E740 IonicContact ND1-OE1 3.39Å; H435-E740 PolarHBondContact ND1-OE1 3.23Å; H435-E740 IonicContact ND1-OE2 3.51Å; H435-E740 PolarHBondContact ND1-OE2 3.35Å
436	R	92.1	Very high	93	Very high	31 Å²	31	49.3 Å²	49.3	12%	0.117	25%	0.245	C	C	.	.	H	α-helix	trans	-69	-42	-177.2	-164.3	169.2	-156.5	-108.2	12.4	112.7	S404 L432 I433 V434 R439 L440 D505 I506 T509	S404-R436 PolarHBondContact OG-NH2 2.91Å; S404-R436 VanDerWaalsContact OG-NH2 3.11Å; L432-R436 WeakPolarHBondContact O-CB 3.21Å; L432-R436 PolarHBondContact O-N 2.9Å; I433-R436 PolarHBondContact O-N 3.27Å; I433-R436 VanDerWaalsContact O-N 3.15Å; V434-R436 VanDerWaalsContact C-N 3.28Å; V434-R436 PolarHBondContact O-N 3.01Å; R436-R439 PolarHBondContact O-N 2.87Å; R436-L440 HydrophobicContact CG-CD1 4.01Å; R436-L440 WeakPolarHBondContact O-CG 3.23Å; R436-L440 PolarHBondContact O-N 2.86Å; R436-D505 IonicContact CZ-OD1 3.87Å; R436-D505 IonicContact CZ-OD2 3.32Å; R436-D505 PolarHBondContact NH1-O 2.91Å; R436-D505 IonicContact NH1-OD1 3.27Å; R436-D505 IonicContact NH1-OD2 3.98Å; R436-D505 PolarHBondContact NH1-OD2 3.39Å; R436-D505 IonicContact NH2-OD1 2.67Å; R436-D505 PolarHBondContact NH2-OD1 3.29Å; R436-D505 IonicContact NH2-OD2 3.8Å; R436-D505 PolarHBondContact NH2-OD2 2.96Å; R436-I506 VanDerWaalsContact NH1-CA 3.29Å; R436-T509 VanDerWaalsContact CD-CG2 3.46Å; R436-T509 PolarHBondContact NE-OG1 2.97Å; R436-T509 PolarHBondContact NH1-OG1 3.04Å; R436-T509 VanDerWaalsContact NH1-OG1 3.08Å; R436-T509 PolarHBondContact NH2-OG1 2.9Å; R436-T509 VanDerWaalsContact NH2-OG1 3.12Å
437	F	92.4	Very high	93.1	Very high	56 Å²	56	43.3 Å²	43.3	25%	0.246	22%	0.215	C	C	.	.	H	α-helix	trans	-62.2	-47.4	176.1	-90.3	-82.5	0	0	0	111.6	I433 V434 R439 L440 T441 Y484 I506 V510	I433-F437 HydrophobicContact CG2-CD2 3.66Å; I433-F437 HydrophobicContact CG2-CE2 3.7Å; I433-F437 VanDerWaalsContact O-CD2 3.32Å; I433-F437 WeakPolarHBondContact O-CD2 3.37Å; I433-F437 PolarHBondContact O-N 3.39Å; V434-F437 PolarHBondContact O-N 2.99Å; F437-R439 VanDerWaalsContact C-N 3.26Å; F437-R439 PolarHBondContact O-N 3.46Å; F437-L440 PolarHBondContact O-N 3.28Å; F437-T441 VanDerWaalsContact O-CB 3.24Å; F437-T441 WeakPolarHBondContact O-CB 3.22Å; F437-T441 PolarHBondContact O-N 2.94Å; F437-T441 VanDerWaalsContact O-N 3.09Å; F437-T441 PolarHBondContact O-OG1 3Å; F437-Y484 HydrophobicContact CD1-CD2 4.33Å; F437-Y484 HydrophobicContact CD1-CE2 4.18Å; F437-Y484 AromaticContact CE1-CD2 3.8Å; F437-Y484 HydrophobicContact CE1-CD2 3.8Å; F437-Y484 HydrophobicContact CE1-CE2 4.12Å; F437-I506 HydrophobicContact CE1-CG2 4.15Å; F437-I506 HydrophobicContact CE2-CG2 3.91Å; F437-I506 HydrophobicContact CZ-CG2 3.52Å; F437-V510 HydrophobicContact CE2-CG2 3.94Å
438	I	92	Very high	93.2	Very high	58 Å²	58	36.9 Å²	36.9	30%	0.297	19%	0.188	S	C	.	.	H	α-helix	trans	-60.9	-36.4	177.6	-70.8	173.7	0	0	0	111.4	V434 P442 I736 F744	V434-I438 HydrophobicContact CG1-CD1 3.61Å; V434-I438 HydrophobicContact CG1-CG1 4.31Å; V434-I438 WeakPolarHBondContact O-CB 3.37Å; V434-I438 WeakPolarHBondContact O-CG1 3.26Å; V434-I438 PolarHBondContact O-N 3.1Å; I438-P442 WeakPolarHBondContact O-CD 3.31Å; I438-P442 VanDerWaalsContact O-CG 3.25Å; I438-P442 WeakPolarHBondContact O-CG 3.28Å; I438-I736 HydrophobicContact CG2-CG2 3.48Å; I438-I736 VanDerWaalsContact CG2-CG2 3.48Å; I438-F744 HydrophobicContact CD1-CE2 3.92Å; I438-F744 HydrophobicContact CD1-CZ 4.04Å
439	R	90.6	Very high	93.2	Very high	105 Å²	105	37.4 Å²	37.4	40%	0.396	19%	0.191	S	C	.	.	H	α-helix	trans	-69.2	-43.2	-179.6	-175.3	-178.7	176.1	87.7	15.2	113.5	H435 R436 F437	H435-R439 WeakPolarHBondContact O-CB 3.4Å; H435-R439 PolarHBondContact O-N 3.47Å; R436-R439 PolarHBondContact O-N 2.87Å; F437-R439 VanDerWaalsContact C-N 3.26Å; F437-R439 PolarHBondContact O-N 3.46Å
440	L	93.2	Very high	93.2	Very high	19 Å²	19	39.4 Å²	39.4	10%	0.099	20%	0.2	C	C	.	.	H	α-helix	trans	-88.3	-46.9	-170.7	-64.2	173.7	0	0	0	112.6	R436 F437 P442 A443 Y444 I502 I506 Y682	R436-L440 HydrophobicContact CG-CD1 4.01Å; R436-L440 WeakPolarHBondContact O-CG 3.23Å; R436-L440 PolarHBondContact O-N 2.86Å; F437-L440 PolarHBondContact O-N 3.28Å; L440-P442 VanDerWaalsContact C-CD 3.41Å; L440-A443 PolarHBondContact O-N 3.01Å; L440-Y444 PolarHBondContact O-N 3.46Å; L440-I502 HydrophobicContact CD1-CG2 4.44Å; L440-I506 HydrophobicContact CD1-CD1 3.93Å; L440-I506 HydrophobicContact CD1-CG1 4Å; L440-Y682 HydrophobicContact CB-CE1 4.46Å; L440-Y682 HydrophobicContact CD2-CD1 4.17Å; L440-Y682 HydrophobicContact CD2-CD2 3.97Å; L440-Y682 HydrophobicContact CD2-CE1 3.8Å; L440-Y682 HydrophobicContact CD2-CE2 3.62Å; L440-Y682 HydrophobicContact CD2-CG 4.24Å; L440-Y682 PolarHBondContact O-OH 2.7Å
441	T	93.5	Very high	93.2	Very high	21 Å²	21	36.9 Å²	36.9	13%	0.129	18%	0.181	C	C	.	.	H	α-helix	trans	-55.7	-40.6	-168.3	-51	0	0	0	0	115.2	F437 A443 Y444 L445 Y484	F437-T441 VanDerWaalsContact O-CB 3.24Å; F437-T441 WeakPolarHBondContact O-CB 3.22Å; F437-T441 PolarHBondContact O-N 2.94Å; F437-T441 VanDerWaalsContact O-N 3.09Å; F437-T441 PolarHBondContact O-OG1 3Å; T441-A443 PolarHBondContact O-N 2.91Å; T441-Y444 WeakPolarHBondContact O-CB 3.29Å; T441-Y444 PolarHBondContact O-N 3.41Å; T441-L445 HydrophobicContact CG2-CD1 3.8Å; T441-L445 HydrophobicContact CG2-CG 3.93Å; T441-L445 WeakPolarHBondContact O-CG 3.48Å; T441-L445 PolarHBondContact O-N 3.01Å; T441-Y484 WeakPolarHBondContact CA-OH 3.49Å; T441-Y484 PolarHBondContact N-OH 3.48Å; T441-Y484 PolarHBondContact OG1-OH 3.22Å
442	P	93.9	Very high	93.2	Very high	31 Å²	31	33.6 Å²	33.6	20%	0.201	17%	0.165	C	C	.	.	H	α-helix	trans	-61.9	-44.9	-176.1	-25.8	36.7	0	0	0	113.9	I438 L440 Y444 L445 V446 I736	I438-P442 WeakPolarHBondContact O-CD 3.31Å; I438-P442 VanDerWaalsContact O-CG 3.25Å; I438-P442 WeakPolarHBondContact O-CG 3.28Å; L440-P442 VanDerWaalsContact C-CD 3.41Å; P442-Y444 VanDerWaalsContact C-N 3.33Å; P442-L445 PolarHBondContact O-N 3.41Å; P442-V446 WeakPolarHBondContact O-CG2 3.46Å; P442-V446 PolarHBondContact O-N 3.29Å; P442-I736 HydrophobicContact CB-CD1 3.19Å; P442-I736 HydrophobicContact CG-CD1 3.2Å; P442-I736 HydrophobicContact CG-CG2 4.48Å
443	A	95.6	Very high	93.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-66.6	-38.8	177.4	0	0	0	0	0	111.2	L440 T441 T447 Y682 L686 L728 T732 E733	L440-A443 PolarHBondContact O-N 3.01Å; T441-A443 PolarHBondContact O-N 2.91Å; A443-T447 WeakPolarHBondContact O-CB 3.49Å; A443-T447 PolarHBondContact O-N 3.47Å; A443-T447 PolarHBondContact O-OG1 3.35Å; A443-Y682 HydrophobicContact CB-CE1 3.9Å; A443-L686 HydrophobicContact CB-CD1 3.8Å; A443-L728 HydrophobicContact CB-CD1 4.37Å; A443-L728 HydrophobicContact CB-CD2 4.27Å; A443-L728 HydrophobicContact CB-CG 4.19Å; A443-T732 WeakPolarHBondContact CB-OG1 3.01Å; A443-E733 HydrophobicContact CB-CG 4.32Å
444	Y	94.9	Very high	93.2	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-59.7	-48.4	173.4	170.4	-96.5	0	0	0	111.7	L440 T441 P442 V446 T447 V448 Y484 L496 L686	L440-Y444 PolarHBondContact O-N 3.46Å; T441-Y444 WeakPolarHBondContact O-CB 3.29Å; T441-Y444 PolarHBondContact O-N 3.41Å; P442-Y444 VanDerWaalsContact C-N 3.33Å; Y444-V446 PolarHBondContact O-N 3.28Å; Y444-T447 WeakPolarHBondContact O-CA 3.19Å; Y444-T447 WeakPolarHBondContact O-CB 3.46Å; Y444-T447 PolarHBondContact O-N 2.9Å; Y444-T447 VanDerWaalsContact O-N 3.13Å; Y444-V448 HydrophobicContact CD1-CG2 4.29Å; Y444-V448 HydrophobicContact CE1-CG2 3.82Å; Y444-V448 HydrophobicContact CE2-CG2 4.13Å; Y444-V448 WeakPolarHBondContact O-CG2 3.35Å; Y444-V448 PolarHBondContact O-N 3.45Å; Y444-Y484 HydrophobicContact CG-CE1 4.48Å; Y444-L496 HydrophobicContact CD2-CD1 4.15Å; Y444-L496 HydrophobicContact CE2-CD1 3.83Å; Y444-L686 HydrophobicContact CD2-CD2 4.2Å
445	L	93.5	Very high	93.2	Very high	56 Å²	56	29 Å²	29	29%	0.293	14%	0.139	S	C	.	.	H	α-helix	trans	-63.7	-43	-179.6	-70.5	177.2	0	0	0	112.5	T441 P442 T447 V448 I449 W480	T441-L445 HydrophobicContact CG2-CD1 3.8Å; T441-L445 HydrophobicContact CG2-CG 3.93Å; T441-L445 WeakPolarHBondContact O-CG 3.48Å; T441-L445 PolarHBondContact O-N 3.01Å; P442-L445 PolarHBondContact O-N 3.41Å; L445-T447 VanDerWaalsContact C-N 3.25Å; L445-T447 PolarHBondContact O-N 2.93Å; L445-V448 PolarHBondContact O-N 2.86Å; L445-I449 WeakPolarHBondContact O-CD1 3.33Å; L445-I449 VanDerWaalsContact O-CG1 3.28Å; L445-I449 WeakPolarHBondContact O-CG1 3.36Å; L445-I449 PolarHBondContact O-N 3.38Å; L445-W480 HydrophobicContact CD2-CE3 4.43Å; L445-W480 HydrophobicContact CD2-CZ3 4.46Å
446	V	94.9	Very high	93.1	Very high	25 Å²	25	25.9 Å²	25.9	15%	0.152	13%	0.125	C	C	.	.	H	α-helix	trans	-61.5	-38.2	174.5	172.1	0	0	0	0	110.8	L217 P442 Y444 I449 F450 L728 T732	L217-V446 HydrophobicContact CD1-CG2 3.97Å; P442-V446 WeakPolarHBondContact O-CG2 3.46Å; P442-V446 PolarHBondContact O-N 3.29Å; Y444-V446 PolarHBondContact O-N 3.28Å; V446-I449 PolarHBondContact O-N 2.7Å; V446-F450 WeakPolarHBondContact O-CB 3.34Å; V446-F450 PolarHBondContact O-N 3.04Å; V446-L728 HydrophobicContact CB-CD1 3.98Å; V446-L728 HydrophobicContact CG1-CD1 3.73Å; V446-T732 HydrophobicContact CB-CG2 4.31Å; V446-T732 HydrophobicContact CG2-CG2 3.75Å
447	T	95.6	Very high	93	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-64.6	-43.2	175.5	-55.5	0	0	0	0	111.9	A443 Y444 L445 F450 F451 L496 L686 I687 I690	A443-T447 WeakPolarHBondContact O-CB 3.49Å; A443-T447 PolarHBondContact O-N 3.47Å; A443-T447 PolarHBondContact O-OG1 3.35Å; Y444-T447 WeakPolarHBondContact O-CA 3.19Å; Y444-T447 WeakPolarHBondContact O-CB 3.46Å; Y444-T447 PolarHBondContact O-N 2.9Å; Y444-T447 VanDerWaalsContact O-N 3.13Å; L445-T447 VanDerWaalsContact C-N 3.25Å; L445-T447 PolarHBondContact O-N 2.93Å; T447-F450 PolarHBondContact O-N 3.48Å; T447-F451 VanDerWaalsContact O-CB 3.28Å; T447-F451 WeakPolarHBondContact O-CB 3.15Å; T447-F451 PolarHBondContact O-N 3.35Å; T447-L496 HydrophobicContact CG2-CD1 3.91Å; T447-L686 HydrophobicContact CG2-CB 4.23Å; T447-I687 HydrophobicContact CG2-CD1 4.11Å; T447-I690 HydrophobicContact CG2-CD1 3.72Å
448	V	93.8	Very high	92.9	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.018	13%	0.132	C	C	.	.	H	α-helix	trans	-58.5	-49.4	174.9	169.3	0	0	0	0	110.5	Y444 L445 F450 F451 T452 W480 L496	Y444-V448 HydrophobicContact CD1-CG2 4.29Å; Y444-V448 HydrophobicContact CE1-CG2 3.82Å; Y444-V448 HydrophobicContact CE2-CG2 4.13Å; Y444-V448 WeakPolarHBondContact O-CG2 3.35Å; Y444-V448 PolarHBondContact O-N 3.45Å; L445-V448 PolarHBondContact O-N 2.86Å; V448-F450 VanDerWaalsContact C-N 3.34Å; V448-F450 PolarHBondContact O-N 3.2Å; V448-F451 PolarHBondContact O-N 3.18Å; V448-T452 HydrophobicContact CG1-CG2 4.49Å; V448-T452 PolarHBondContact O-N 2.99Å; V448-T452 PolarHBondContact O-OG1 2.97Å; V448-T452 VanDerWaalsContact O-OG1 3.06Å; V448-W480 HydrophobicContact CG1-CB 3.88Å; V448-L496 HydrophobicContact CG2-CD1 3.55Å; V448-L496 HydrophobicContact CG2-CG 4.18Å
449	I	93.8	Very high	92.8	Very high	28 Å²	28	29 Å²	29	14%	0.144	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-41.5	-178.3	-69.2	162.5	0	0	0	111.1	I209 A210 I213 L445 V446 G453	I209-I449 HydrophobicContact CG2-CG2 4.46Å; A210-I449 VanDerWaalsContact CA-CG2 3.41Å; A210-I449 HydrophobicContact CB-CG2 3.48Å; A210-I449 VanDerWaalsContact CB-CG2 3.48Å; I213-I449 HydrophobicContact CD1-CD1 3.67Å; L445-I449 WeakPolarHBondContact O-CD1 3.33Å; L445-I449 VanDerWaalsContact O-CG1 3.28Å; L445-I449 WeakPolarHBondContact O-CG1 3.36Å; L445-I449 PolarHBondContact O-N 3.38Å; V446-I449 PolarHBondContact O-N 2.7Å; I449-G453 WeakPolarHBondContact O-CA 3.47Å; I449-G453 PolarHBondContact O-N 3.16Å
450	F	93.8	Very high	92.7	Very high	58 Å²	58	26.1 Å²	26.1	25%	0.254	13%	0.131	S	C	.	.	H	α-helix	trans	-61.2	-47.5	174.1	-178.3	-89.7	0	0	0	111.3	V446 T447 V448 L454 L455 I458 I690	V446-F450 WeakPolarHBondContact O-CB 3.34Å; V446-F450 PolarHBondContact O-N 3.04Å; T447-F450 PolarHBondContact O-N 3.48Å; V448-F450 VanDerWaalsContact C-N 3.34Å; V448-F450 PolarHBondContact O-N 3.2Å; F450-L454 HydrophobicContact CD2-CB 4.2Å; F450-L454 HydrophobicContact CD2-CD1 3.73Å; F450-L454 HydrophobicContact CE2-CB 4.34Å; F450-L454 HydrophobicContact CE2-CD1 4.14Å; F450-L454 WeakPolarHBondContact O-CA 3.49Å; F450-L454 WeakPolarHBondContact O-CB 3.19Å; F450-L454 PolarHBondContact O-N 3.1Å; F450-L455 PolarHBondContact O-N 3.49Å; F450-I458 HydrophobicContact CE1-CD1 3.8Å; F450-I458 HydrophobicContact CE2-CD1 4.17Å; F450-I458 HydrophobicContact CZ-CD1 3.36Å; F450-I690 HydrophobicContact CD1-CD1 4.17Å; F450-I690 HydrophobicContact CD1-CG2 4.31Å; F450-I690 HydrophobicContact CE1-CG2 3.88Å
451	F	93.1	Very high	92.5	Very high	9 Å²	9	25.2 Å²	25.2	4%	0.039	13%	0.126	C	C	.	.	H	α-helix	trans	-63	-43.2	-178.9	-175.2	-100.4	0	0	0	112.6	T447 V448 L455 V472 C476 L496 W498 I690	T447-F451 VanDerWaalsContact O-CB 3.28Å; T447-F451 WeakPolarHBondContact O-CB 3.15Å; T447-F451 PolarHBondContact O-N 3.35Å; V448-F451 PolarHBondContact O-N 3.18Å; F451-L455 HydrophobicContact CD2-CD2 3.76Å; F451-L455 HydrophobicContact CE2-CD2 3.57Å; F451-L455 HydrophobicContact CZ-CD2 4.28Å; F451-L455 VanDerWaalsContact O-CB 3.25Å; F451-L455 WeakPolarHBondContact O-CB 3.15Å; F451-V472 HydrophobicContact CE1-CG1 3.95Å; F451-V472 HydrophobicContact CZ-CG1 3.6Å; F451-C476 HydrophobicContact CD1-CB 4.22Å; F451-C476 HydrophobicContact CE1-CB 4.18Å; F451-L496 HydrophobicContact CB-CD2 3.91Å; F451-L496 HydrophobicContact CD1-CD2 3.89Å; F451-L496 HydrophobicContact CD2-CD2 4.11Å; F451-L496 HydrophobicContact CE1-CD2 4.45Å; F451-L496 HydrophobicContact CG-CD2 3.69Å; F451-W498 HydrophobicContact CD2-CH2 4.23Å; F451-W498 AromaticContact CE2-CH2 3.99Å; F451-W498 HydrophobicContact CE2-CH2 3.99Å; F451-I690 HydrophobicContact CB-CD1 4.16Å; F451-I690 HydrophobicContact CD2-CD1 4Å; F451-I690 HydrophobicContact CD2-CG1 3.99Å
452	T	92.4	Very high	92.4	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-85.5	-27.8	-176.7	57.4	0	0	0	0	114.6	W206 V448 C476 R477	W206-T452 VanDerWaalsContact CE3-OG1 3.25Å; V448-T452 HydrophobicContact CG1-CG2 4.49Å; V448-T452 PolarHBondContact O-N 2.99Å; V448-T452 PolarHBondContact O-OG1 2.97Å; V448-T452 VanDerWaalsContact O-OG1 3.06Å; T452-C476 HydrophobicContact CG2-CB 3.87Å; T452-C476 WeakPolarHBondContact CG2-SG 3.4Å; T452-R477 HydrophobicContact CG2-CG 3.83Å; T452-R477 PolarHBondContact O-NH2 3.48Å
453	G	91.7	Very high	92.1	Very high	2 Å²	2	23.8 Å²	23.8	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-105.5	-29.5	-172.4	0	0	0	0	0	114.7	Y207 I449 H457	Y207-G453 WeakPolarHBondContact CA-O 3.32Å; I449-G453 WeakPolarHBondContact O-CA 3.47Å; I449-G453 PolarHBondContact O-N 3.16Å; G453-H457 PolarHBondContact O-CD2 3.48Å
454	L	93	Very high	91.9	Very high	28 Å²	28	23.8 Å²	23.8	15%	0.147	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-31.9	-173.8	-65.3	174	0	0	0	113.8	Y207 A210 V211 F450 N456 H457 I458	Y207-L454 HydrophobicContact CD2-CD2 4.12Å; Y207-L454 HydrophobicContact CE2-CD2 4.16Å; A210-L454 HydrophobicContact CB-CD1 4.07Å; A210-L454 HydrophobicContact CB-CD2 4.14Å; A210-L454 HydrophobicContact CB-CG 3.68Å; V211-L454 HydrophobicContact CG2-CD2 3.85Å; F450-L454 HydrophobicContact CD2-CB 4.2Å; F450-L454 HydrophobicContact CD2-CD1 3.73Å; F450-L454 HydrophobicContact CE2-CB 4.34Å; F450-L454 HydrophobicContact CE2-CD1 4.14Å; F450-L454 WeakPolarHBondContact O-CA 3.49Å; F450-L454 WeakPolarHBondContact O-CB 3.19Å; F450-L454 PolarHBondContact O-N 3.1Å; L454-N456 VanDerWaalsContact C-N 3.3Å; L454-N456 PolarHBondContact O-N 2.78Å; L454-N456 VanDerWaalsContact O-N 3.14Å; L454-H457 PolarHBondContact O-N 3.12Å; L454-I458 WeakPolarHBondContact O-CG1 3.34Å; L454-I458 PolarHBondContact O-N 3.02Å
455	L	92.3	Very high	91.4	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.016	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-47.9	-48.7	-172.5	-176.5	61.8	0	0	0	113.4	F450 F451 H457 I458 F464 I690 I694	F450-L455 PolarHBondContact O-N 3.49Å; F451-L455 HydrophobicContact CD2-CD2 3.76Å; F451-L455 HydrophobicContact CE2-CD2 3.57Å; F451-L455 HydrophobicContact CZ-CD2 4.28Å; F451-L455 VanDerWaalsContact O-CB 3.25Å; F451-L455 WeakPolarHBondContact O-CB 3.15Å; L455-H457 PolarHBondContact O-N 3.41Å; L455-H457 VanDerWaalsContact O-N 3.09Å; L455-I458 HydrophobicContact CD1-CD1 4.45Å; L455-I458 PolarHBondContact O-N 2.98Å; L455-F464 HydrophobicContact CD1-CZ 4.14Å; L455-F464 HydrophobicContact CG-CZ 4.49Å; L455-F464 WeakPolarHBondContact O-CE1 3.26Å; L455-F464 VanDerWaalsContact O-CZ 3.26Å; L455-F464 WeakPolarHBondContact O-CZ 3.09Å; L455-I690 HydrophobicContact CD1-CG2 3.93Å; L455-I694 HydrophobicContact CD1-CD1 4.36Å; L455-I694 HydrophobicContact CD1-CG1 3.99Å
456	N	89.9	Confident	90.9	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.021	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-64.7	-14.5	-177.2	-65.6	8	0	0	0	114.7	L454 P465 I473	L454-N456 VanDerWaalsContact C-N 3.3Å; L454-N456 PolarHBondContact O-N 2.78Å; L454-N456 VanDerWaalsContact O-N 3.14Å; N456-P465 PolarHBondContact OD1-O 3.41Å; N456-I473 VanDerWaalsContact CG-CD1 3.41Å; N456-I473 WeakPolarHBondContact ND2-CD1 3.14Å; N456-I473 WeakPolarHBondContact OD1-CD1 3.29Å
457	H	90.4	Very high	90.3	Very high	31 Å²	31	23.1 Å²	23.1	14%	0.144	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-109.8	0.4	-176.4	-57.8	-78.2	0	0	0	112.8	V198 V201 Q202 Y207 G453 L454 L455	V198-H457 VanDerWaalsContact CG1-O 3.26Å; V198-H457 WeakPolarHBondContact CG1-O 3.11Å; V201-H457 VanDerWaalsContact CG1-CE1 3.46Å; V201-H457 WeakPolarHBondContact CG1-CE1 3.26Å; Q202-H457 PolarHBondContact O-CE1 3.47Å; Y207-H457 AromaticContact CD2-CD2 3.38Å; Y207-H457 WeakPolarHBondContact CD2-CD2 3.49Å; Y207-H457 AromaticContact CD2-CG 3.92Å; Y207-H457 AromaticContact CD2-NE2 3.61Å; Y207-H457 HydrophobicContact CE2-CB 4.35Å; Y207-H457 AromaticContact CE2-CD2 3.98Å; G453-H457 PolarHBondContact O-CD2 3.48Å; L454-H457 PolarHBondContact O-N 3.12Å; L455-H457 PolarHBondContact O-N 3.41Å; L455-H457 VanDerWaalsContact O-N 3.09Å
458	I	89.8	Confident	89.5	Confident	71 Å²	71	23.8 Å²	23.8	36%	0.364	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-41.8	-177.3	-68	170.5	0	0	0	111.3	F450 L454 L455 I694	F450-I458 HydrophobicContact CE1-CD1 3.8Å; F450-I458 HydrophobicContact CE2-CD1 4.17Å; F450-I458 HydrophobicContact CZ-CD1 3.36Å; L454-I458 WeakPolarHBondContact O-CG1 3.34Å; L454-I458 PolarHBondContact O-N 3.02Å; L455-I458 HydrophobicContact CD1-CD1 4.45Å; L455-I458 PolarHBondContact O-N 2.98Å; I458-I694 HydrophobicContact CD1-CD1 4.27Å; I458-I694 HydrophobicContact CG2-CD1 4.48Å
459	Y	90.5	Very high	88.8	Confident	108 Å²	108	29.6 Å²	29.6	42%	0.424	14%	0.142	S	C	.	.			trans	-151.2	171.5	-170.1	-150.8	-110.3	0	0	0	111.2	F464 G698	Y459-F464 WeakPolarHBondContact O-CD1 3.38Å; Y459-F464 WeakPolarHBondContact O-CE1 3.18Å; Y459-G698 WeakPolarHBondContact CE1-O 3.41Å
460	D	88.3	Confident	88.2	Confident	44 Å²	44	28.9 Å²	28.9	24%	0.235	14%	0.14	C	C	.	.			trans	-132.6	166.7	176.9	54.7	-3.3	0	0	0	111.2	V198	V198-D460 HydrophobicContact CG2-CB 3.62Å
461	G	89	Confident	87.5	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.01	14%	0.137	C	C	.	.			trans	148.3	163.2	179.5	0	0	0	0	0	111.5	H195 F463 F464	H195-G461 PolarHBondContact CE1-O 3.37Å; H195-G461 PolarHBondContact ND1-O 3.48Å; G461-F463 PolarHBondContact O-N 3.48Å; G461-F464 PolarHBondContact O-N 2.91Å
462	P	89.7	Confident	87	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.006	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.3	-169.9	25	-35	0	0	0	113.8	V111 Y114 Y138 T140 H195 Q700	V111-P462 HydrophobicContact CG1-CB 4.12Å; V111-P462 HydrophobicContact CG1-CG 4.14Å; Y114-P462 HydrophobicContact CD2-CB 4.44Å; Y138-P462 HydrophobicContact CE1-CB 3.56Å; Y138-P462 VanDerWaalsContact OH-CB 3.24Å; Y138-P462 WeakPolarHBondContact OH-CB 3.3Å; T140-P462 PolarHBondContact OG1-O 3.18Å; H195-P462 PolarHBondContact NE2-O 2.83Å; P462-Q700 WeakPolarHBondContact CG-O 3.25Å
463	F	89.4	Confident	86.7	Confident	21 Å²	21	31.2 Å²	31.2	9%	0.092	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-4	179.9	-51.8	-60.6	0	0	0	113.6	H109 V111 L370 G461 N697 A699 P702	H109-F463 HydrophobicContact CB-CE1 4.28Å; H109-F463 HydrophobicContact CB-CZ 4.11Å; V111-F463 HydrophobicContact CG1-CE1 3.71Å; V111-F463 HydrophobicContact CG1-CE2 3.63Å; V111-F463 HydrophobicContact CG1-CZ 3.04Å; L370-F463 HydrophobicContact CD1-CB 4.16Å; L370-F463 HydrophobicContact CD1-CD1 3.23Å; L370-F463 HydrophobicContact CD1-CD2 3.75Å; L370-F463 HydrophobicContact CD1-CE1 3.3Å; L370-F463 HydrophobicContact CD1-CE2 3.81Å; L370-F463 HydrophobicContact CD1-CG 3.43Å; L370-F463 VanDerWaalsContact CD1-CG 3.43Å; L370-F463 HydrophobicContact CD1-CZ 3.55Å; L370-F463 HydrophobicContact CD2-CB 3.79Å; L370-F463 HydrophobicContact CD2-CD1 4.34Å; L370-F463 HydrophobicContact CD2-CD2 3.6Å; L370-F463 HydrophobicContact CD2-CE2 4.19Å; L370-F463 HydrophobicContact CD2-CG 3.65Å; L370-F463 HydrophobicContact CG-CD1 4.35Å; L370-F463 HydrophobicContact CG-CD2 4.05Å; L370-F463 HydrophobicContact CG-CE1 4.47Å; L370-F463 HydrophobicContact CG-CE2 4.18Å; L370-F463 HydrophobicContact CG-CG 4.09Å; L370-F463 HydrophobicContact CG-CZ 4.35Å; G461-F463 PolarHBondContact O-N 3.48Å; F463-N697 CarbonylContact C-O 3.6Å; F463-N697 VanDerWaalsContact C-O 3.28Å; F463-N697 HydrophobicContact CB-CB 4.28Å; F463-N697 WeakPolarHBondContact CB-O 3.06Å; F463-N697 WeakPolarHBondContact O-CB 3.46Å; F463-N697 PolarHBondContact O-ND2 3.41Å; F463-N697 VanDerWaalsContact O-ND2 3.1Å; F463-A699 WeakPolarHBondContact CD2-O 3.46Å; F463-P702 HydrophobicContact CE2-CG 4.15Å; F463-P702 HydrophobicContact CZ-CG 3.82Å
464	F	90	Very high	86.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-74.7	129	-173.3	-159.9	-92.7	0	0	0	109.6	H195 L455 Y459 G461 Q466 I694 N697	H195-F464 PolarHBondContact CE1-O 3.12Å; L455-F464 HydrophobicContact CD1-CZ 4.14Å; L455-F464 HydrophobicContact CG-CZ 4.49Å; L455-F464 WeakPolarHBondContact O-CE1 3.26Å; L455-F464 VanDerWaalsContact O-CZ 3.26Å; L455-F464 WeakPolarHBondContact O-CZ 3.09Å; Y459-F464 WeakPolarHBondContact O-CD1 3.38Å; Y459-F464 WeakPolarHBondContact O-CE1 3.18Å; G461-F464 PolarHBondContact O-N 2.91Å; F464-Q466 HydrophobicContact CD1-CG 4.28Å; F464-Q466 PolarHBondContact O-N 3.03Å; F464-I694 HydrophobicContact CE2-CG1 4.35Å; F464-N697 WeakPolarHBondContact CA-O 3.11Å; F464-N697 HydrophobicContact CD2-CB 4.39Å; F464-N697 PolarHBondContact N-O 3.45Å
465	P	84.7	Confident	86	Confident	26 Å²	26	35.6 Å²	35.6	17%	0.169	18%	0.18	C	C	.	.			trans	-71.9	101.2	-178.7	29.2	-33.3	0	0	0	109.8	N456	N456-P465 PolarHBondContact OD1-O 3.41Å
466	Q	83.8	Confident	85.9	Confident	12 Å²	12	35.5 Å²	35.5	6%	0.056	18%	0.179	C	C	.	.			trans	-99.8	-19.6	173.5	-65.8	-173.1	-21.2	0	0	112.7	F193 H195 R196 F464 I468	F193-Q466 HydrophobicContact CE2-CB 4.09Å; H195-Q466 VanDerWaalsContact CA-OE1 3.32Å; H195-Q466 PolarHBondContact ND1-OE1 3.21Å; R196-Q466 PolarHBondContact O-NE2 2.65Å; R196-Q466 VanDerWaalsContact O-NE2 3.16Å; R196-Q466 PolarHBondContact O-OE1 2.9Å; R196-Q466 VanDerWaalsContact O-OE1 3.08Å; F464-Q466 HydrophobicContact CD1-CG 4.28Å; F464-Q466 PolarHBondContact O-N 3.03Å; Q466-I468 PolarHBondContact O-N 3.09Å
467	D	81.3	Confident	85.8	Confident	31 Å²	31	37.4 Å²	37.4	17%	0.166	19%	0.186	C	C	.	.			trans	-72.6	117.9	178.5	-167.2	1.3	0	0	0	111.2	F193 H469 S470	F193-D467 HydrophobicContact CB-CB 4.41Å; F193-D467 HydrophobicContact CD1-CB 4.08Å; F193-D467 HydrophobicContact CD2-CB 4.33Å; F193-D467 HydrophobicContact CE1-CB 4.48Å; F193-D467 HydrophobicContact CG-CB 4.01Å; D467-H469 PolarHBondContact O-N 3.36Å; D467-H469 WeakPolarHBondContact OD1-CB 3.46Å; D467-H469 IonicContact OD1-CD2 3.46Å; D467-H469 IonicContact OD1-CG 3.72Å; D467-H469 PolarHBondContact OD1-N 3.42Å; D467-S470 WeakPolarHBondContact O-CB 3.43Å; D467-S470 PolarHBondContact O-N 3.41Å; D467-S470 VanDerWaalsContact O-N 3.08Å; D467-S470 PolarHBondContact O-OG 3.09Å
468	I	79	Confident	85.6	Confident	16 Å²	16	41.8 Å²	41.8	8%	0.082	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-26.4	176.6	-58.8	171.5	0	0	0	110.7	Q202 D204 Q466 S470	Q202-I468 HydrophobicContact CB-CD1 3.9Å; Q202-I468 HydrophobicContact CG-CD1 4.35Å; Q202-I468 WeakPolarHBondContact O-CD1 3.35Å; D204-I468 WeakPolarHBondContact OD2-CG2 3.28Å; Q466-I468 PolarHBondContact O-N 3.09Å; I468-S470 VanDerWaalsContact C-N 3.31Å
469	H	79.4	Confident	85.2	Confident	125 Å²	125	41 Å²	41	58%	0.579	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	8.6	176	-57.8	-69.5	0	0	0	113	D467	D467-H469 PolarHBondContact O-N 3.36Å; D467-H469 WeakPolarHBondContact OD1-CB 3.46Å; D467-H469 IonicContact OD1-CD2 3.46Å; D467-H469 IonicContact OD1-CG 3.72Å; D467-H469 PolarHBondContact OD1-N 3.42Å
470	S	80.9	Confident	84.5	Confident	13 Å²	13	40.7 Å²	40.7	9%	0.091	20%	0.196	C	C	.	.	S	Bend	trans	-57.8	141.5	171.2	63.6	0	0	0	0	109.9	D467 I468 V472 I473 E474	D467-S470 WeakPolarHBondContact O-CB 3.43Å; D467-S470 PolarHBondContact O-N 3.41Å; D467-S470 VanDerWaalsContact O-N 3.08Å; D467-S470 PolarHBondContact O-OG 3.09Å; I468-S470 VanDerWaalsContact C-N 3.31Å; S470-V472 PolarHBondContact O-N 3.17Å; S470-V472 VanDerWaalsContact O-N 3.08Å; S470-I473 PolarHBondContact O-N 3.36Å; S470-I473 VanDerWaalsContact O-N 3.08Å; S470-I473 WeakPolarHBondContact OG-CD1 3.06Å; S470-I473 WeakPolarHBondContact OG-CG1 3.33Å; S470-E474 WeakPolarHBondContact O-CB 3.43Å; S470-E474 PolarHBondContact O-N 3.41Å
471	P	78.5	Confident	83.6	Confident	29 Å²	29	44.3 Å²	44.3	19%	0.188	21%	0.207	C	C	.	.	H	α-helix	trans	-58.4	-31.4	-175	21.4	-32.6	0	0	0	111.9	N475	P471-N475 WeakPolarHBondContact O-CB 3.48Å; P471-N475 PolarHBondContact O-N 2.89Å; P471-N475 PolarHBondContact O-ND2 3.43Å; P471-N475 VanDerWaalsContact O-ND2 3.16Å
472	V	82.5	Confident	82.8	Confident	88 Å²	88	49.6 Å²	49.6	53%	0.533	23%	0.23	S	C	.	.	H	α-helix	trans	-64.2	-44.7	179.5	179.9	0	0	0	0	111.8	F451 S470 C476	F451-V472 HydrophobicContact CE1-CG1 3.95Å; F451-V472 HydrophobicContact CZ-CG1 3.6Å; S470-V472 PolarHBondContact O-N 3.17Å; S470-V472 VanDerWaalsContact O-N 3.08Å; V472-C476 WeakPolarHBondContact O-CB 3.46Å; V472-C476 PolarHBondContact O-N 2.66Å
473	I	86.7	Confident	82.2	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-81.6	-43.3	-175.3	-63.3	175	0	0	0	110.5	N456 S470 N475 C476 R477	N456-I473 VanDerWaalsContact CG-CD1 3.41Å; N456-I473 WeakPolarHBondContact ND2-CD1 3.14Å; N456-I473 WeakPolarHBondContact OD1-CD1 3.29Å; S470-I473 PolarHBondContact O-N 3.36Å; S470-I473 VanDerWaalsContact O-N 3.08Å; S470-I473 WeakPolarHBondContact OG-CD1 3.06Å; S470-I473 WeakPolarHBondContact OG-CG1 3.33Å; I473-N475 PolarHBondContact O-N 3.35Å; I473-C476 PolarHBondContact O-N 3.3Å; I473-R477 HydrophobicContact CG2-CG 4.44Å; I473-R477 VanDerWaalsContact CG2-NE 3.31Å; I473-R477 VanDerWaalsContact O-CG 3.28Å; I473-R477 WeakPolarHBondContact O-CG 3.33Å; I473-R477 PolarHBondContact O-N 2.82Å
474	E	85.6	Confident	81.9	Confident	93 Å²	93	53 Å²	53	44%	0.435	25%	0.248	S	C	.	.	H	α-helix	trans	-59.3	-47.4	176.8	-170.9	-175.8	-176.4	0	0	111.1	S470 C476 R477 K478	S470-E474 WeakPolarHBondContact O-CB 3.43Å; S470-E474 PolarHBondContact O-N 3.41Å; E474-C476 VanDerWaalsContact C-N 3.3Å; E474-C476 PolarHBondContact O-N 2.64Å; E474-R477 PolarHBondContact O-N 3.35Å; E474-K478 WeakPolarHBondContact O-CB 3.4Å; E474-K478 PolarHBondContact O-N 2.91Å
475	N	85.2	Confident	81.5	Confident	30 Å²	30	56.4 Å²	56.4	16%	0.16	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-43.2	176.3	-78.3	-15.3	0	0	0	111.3	P471 I473 R477 K478 Y479 N493	P471-N475 WeakPolarHBondContact O-CB 3.48Å; P471-N475 PolarHBondContact O-N 2.89Å; P471-N475 PolarHBondContact O-ND2 3.43Å; P471-N475 VanDerWaalsContact O-ND2 3.16Å; I473-N475 PolarHBondContact O-N 3.35Å; N475-R477 VanDerWaalsContact C-N 3.35Å; N475-R477 PolarHBondContact O-N 2.87Å; N475-K478 PolarHBondContact O-N 2.95Å; N475-Y479 WeakPolarHBondContact O-CB 3.41Å; N475-Y479 WeakPolarHBondContact O-CD2 3.24Å; N475-Y479 PolarHBondContact O-N 3.37Å; N475-N493 HydrophobicContact CB-CB 4.44Å; N475-N493 WeakPolarHBondContact CB-O 3.49Å; N475-N493 PolarHBondContact ND2-OD1 3.17Å
476	C	88.5	Confident	81.3	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.007	26%	0.261	C	S	.	.	H	α-helix	trans	-65.8	-38.7	178.9	175.6	0	0	0	0	112.4	F451 T452 V472 I473 E474 K478 W480 C495	F451-C476 HydrophobicContact CD1-CB 4.22Å; F451-C476 HydrophobicContact CE1-CB 4.18Å; T452-C476 HydrophobicContact CG2-CB 3.87Å; T452-C476 WeakPolarHBondContact CG2-SG 3.4Å; V472-C476 WeakPolarHBondContact O-CB 3.46Å; V472-C476 PolarHBondContact O-N 2.66Å; I473-C476 PolarHBondContact O-N 3.3Å; E474-C476 VanDerWaalsContact C-N 3.3Å; E474-C476 PolarHBondContact O-N 2.64Å; C476-K478 VanDerWaalsContact C-N 3.25Å; C476-K478 PolarHBondContact O-N 2.64Å; C476-W480 VanDerWaalsContact O-CB 3.32Å; C476-W480 WeakPolarHBondContact O-CB 3.32Å; C476-W480 PolarHBondContact O-N 2.78Å; C476-C495 VanDerWaalsContact CA-CB 3.46Å; C476-C495 HydrophobicContact CB-CB 3.6Å; C476-C495 WeakPolarHBondContact CB-SG 3.47Å; C476-C495 WeakPolarHBondContact SG-CB 3.37Å; C476-C495 CovalentContact SG-SG 2.04Å; C476-C495 PolarHBondContact SG-SG 2.84Å
477	R	89	Confident	81.2	Confident	44 Å²	44	55 Å²	55	17%	0.166	26%	0.258	C	S	.	.	H	α-helix	trans	-65.7	-26.4	175.8	-69.9	168.5	176.8	-152.2	-6.1	113.6	D204 W206 T452 I473 E474 N475 W480	D204-R477 IonicContact OD1-NH2 3Å; D204-R477 IonicContact OD2-CZ 3.19Å; D204-R477 IonicContact OD2-NH1 3.33Å; D204-R477 PolarHBondContact OD2-NH1 3.01Å; D204-R477 IonicContact OD2-NH2 3.27Å; D204-R477 PolarHBondContact OD2-NH2 3.16Å; W206-R477 HydrophobicContact CD2-CG 4.17Å; W206-R477 HydrophobicContact CG-CG 4.4Å; W206-R477 HydrophobicContact CZ2-CB 4.06Å; W206-R477 HydrophobicContact CZ2-CG 4.1Å; T452-R477 HydrophobicContact CG2-CG 3.83Å; T452-R477 PolarHBondContact O-NH2 3.48Å; I473-R477 HydrophobicContact CG2-CG 4.44Å; I473-R477 VanDerWaalsContact CG2-NE 3.31Å; I473-R477 VanDerWaalsContact O-CG 3.28Å; I473-R477 WeakPolarHBondContact O-CG 3.33Å; I473-R477 PolarHBondContact O-N 2.82Å; E474-R477 PolarHBondContact O-N 3.35Å; N475-R477 VanDerWaalsContact C-N 3.35Å; N475-R477 PolarHBondContact O-N 2.87Å; R477-W480 PolarHBondContact O-NE1 3.4Å
478	K	85.6	Confident	81.2	Confident	123 Å²	123	57.2 Å²	57.2	54%	0.535	27%	0.272	S	S	.	.	H	α-helix	trans	-90.6	-39	179.1	-171.6	173.4	178	-171.2	0	113.1	E474 N475 C476	E474-K478 WeakPolarHBondContact O-CB 3.4Å; E474-K478 PolarHBondContact O-N 2.91Å; N475-K478 PolarHBondContact O-N 2.95Å; C476-K478 VanDerWaalsContact C-N 3.25Å; C476-K478 PolarHBondContact O-N 2.64Å
479	Y	81.3	Confident	81.2	Confident	54 Å²	54	61.6 Å²	61.6	21%	0.212	30%	0.295	C	S	.	.	S	Bend	trans	-116.8	40.2	-169.7	-58.8	-76	0	0	0	112.7	N475 Y481 N493 C495	N475-Y479 WeakPolarHBondContact O-CB 3.41Å; N475-Y479 WeakPolarHBondContact O-CD2 3.24Å; N475-Y479 PolarHBondContact O-N 3.37Å; Y479-Y481 VanDerWaalsContact C-N 3.26Å; Y479-Y481 AromaticContact CD1-CE2 3.81Å; Y479-Y481 HydrophobicContact CD1-CE2 3.81Å; Y479-Y481 PolarHBondContact O-N 3.46Å; Y479-N493 WeakPolarHBondContact CB-O 3.33Å; Y479-N493 HydrophobicContact CD2-CB 3.98Å; Y479-N493 WeakPolarHBondContact CD2-O 3.09Å; Y479-N493 HydrophobicContact CE2-CB 3.91Å; Y479-C495 WeakPolarHBondContact O-CB 3.48Å; Y479-C495 PolarHBondContact O-N 3.24Å
480	W	76.1	Confident	81.2	Confident	102 Å²	102	58.1 Å²	58.1	39%	0.386	28%	0.281	S	S	.	.			trans	-80.5	5.7	178.2	59.2	-89.2	0	0	0	115.1	L445 V448 C476 R477 F482 C495	L445-W480 HydrophobicContact CD2-CE3 4.43Å; L445-W480 HydrophobicContact CD2-CZ3 4.46Å; V448-W480 HydrophobicContact CG1-CB 3.88Å; C476-W480 VanDerWaalsContact O-CB 3.32Å; C476-W480 WeakPolarHBondContact O-CB 3.32Å; C476-W480 PolarHBondContact O-N 2.78Å; R477-W480 PolarHBondContact O-NE1 3.4Å; W480-F482 PolarHBondContact O-N 3.09Å; W480-C495 HydrophobicContact CB-CB 4.32Å
481	Y	70	Confident	81.3	Confident	120 Å²	120	58.5 Å²	58.5	47%	0.471	28%	0.281	S	S	.	.			trans	-36.9	126.7	-167	-57.1	-62.9	0	0	0	115.2	Y479 L483	Y479-Y481 VanDerWaalsContact C-N 3.26Å; Y479-Y481 AromaticContact CD1-CE2 3.81Å; Y479-Y481 HydrophobicContact CD1-CE2 3.81Å; Y479-Y481 PolarHBondContact O-N 3.46Å; Y481-L483 PolarHBondContact O-N 2.99Å; Y481-L483 VanDerWaalsContact O-N 3.12Å
482	F	71.5	Confident	81.4	Confident	111 Å²	111	64.7 Å²	64.7	49%	0.487	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-10.4	-179	74.4	-89.3	0	0	0	114.7	W480 Y484	W480-F482 PolarHBondContact O-N 3.09Å; F482-Y484 VanDerWaalsContact C-N 3.27Å; F482-Y484 VanDerWaalsContact O-CD2 3.23Å; F482-Y484 WeakPolarHBondContact O-CD2 3.42Å; F482-Y484 PolarHBondContact O-N 3.33Å
483	L	77.2	Confident	81.4	Confident	90 Å²	90	63.3 Å²	63.3	47%	0.471	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	0.6	-173	-68.7	173.6	0	0	0	114.2	Y481 L485	Y481-L483 PolarHBondContact O-N 2.99Å; Y481-L483 VanDerWaalsContact O-N 3.12Å; L483-L485 VanDerWaalsContact C-N 3.27Å; L483-L485 HydrophobicContact CB-CD1 3.98Å; L483-L485 HydrophobicContact CB-CG 3.97Å; L483-L485 HydrophobicContact CD1-CD1 4.36Å; L483-L485 PolarHBondContact O-N 2.57Å
484	Y	82.3	Confident	81.2	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.016	29%	0.292	C	S	.	.	S	Bend	trans	54	42.4	-179.6	-63.7	-87.5	0	0	0	113.3	F437 T441 Y444 F482 I502 A503 I506 Q507	F437-Y484 HydrophobicContact CD1-CD2 4.33Å; F437-Y484 HydrophobicContact CD1-CE2 4.18Å; F437-Y484 AromaticContact CE1-CD2 3.8Å; F437-Y484 HydrophobicContact CE1-CD2 3.8Å; F437-Y484 HydrophobicContact CE1-CE2 4.12Å; T441-Y484 WeakPolarHBondContact CA-OH 3.49Å; T441-Y484 PolarHBondContact N-OH 3.48Å; T441-Y484 PolarHBondContact OG1-OH 3.22Å; Y444-Y484 HydrophobicContact CG-CE1 4.48Å; F482-Y484 VanDerWaalsContact C-N 3.27Å; F482-Y484 VanDerWaalsContact O-CD2 3.23Å; F482-Y484 WeakPolarHBondContact O-CD2 3.42Å; F482-Y484 PolarHBondContact O-N 3.33Å; Y484-I502 HydrophobicContact CD1-CG2 3.97Å; Y484-I502 HydrophobicContact CE1-CB 4.33Å; Y484-I502 HydrophobicContact CE1-CG2 3.49Å; Y484-I502 VanDerWaalsContact CE1-CG2 3.49Å; Y484-A503 WeakPolarHBondContact O-CB 3.32Å; Y484-I506 HydrophobicContact CD1-CD1 3.66Å; Y484-I506 HydrophobicContact CD2-CD1 3.31Å; Y484-I506 HydrophobicContact CE1-CD1 3.66Å; Y484-I506 HydrophobicContact CE2-CD1 3.31Å; Y484-I506 HydrophobicContact CG-CD1 3.46Å; Y484-I506 VanDerWaalsContact CG-CD1 3.46Å; Y484-I506 VanDerWaalsContact CZ-CD1 3.47Å; Y484-Q507 PolarHBondContact O-NE2 3.42Å
485	L	83.4	Confident	81.3	Confident	72 Å²	72	59.2 Å²	59.2	38%	0.377	27%	0.272	S	S	.	.			trans	-105.6	11.5	178.5	-61.7	177.1	0	0	0	113.1	L483 N487 V488 I489	L483-L485 VanDerWaalsContact C-N 3.27Å; L483-L485 HydrophobicContact CB-CD1 3.98Å; L483-L485 HydrophobicContact CB-CG 3.97Å; L483-L485 HydrophobicContact CD1-CD1 4.36Å; L483-L485 PolarHBondContact O-N 2.57Å; L485-N487 VanDerWaalsContact C-N 3.31Å; L485-N487 PolarHBondContact O-N 3.03Å; L485-V488 PolarHBondContact O-N 3.18Å; L485-I489 HydrophobicContact CB-CD1 3.67Å; L485-I489 HydrophobicContact CB-CG1 4.2Å; L485-I489 HydrophobicContact CD1-CD1 4.22Å; L485-I489 PolarHBondContact O-N 2.92Å; L485-I489 VanDerWaalsContact O-N 3.13Å
486	T	80	Confident	81.5	Confident	9 Å²	9	58 Å²	58	6%	0.055	27%	0.265	C	S	.	.	H	α-helix	trans	-61.2	-36.2	-172.7	49.5	0	0	0	0	113.5	D490 F491	T486-D490 CarbonylContact O-C 3.45Å; T486-D490 VanDerWaalsContact O-C 3.31Å; T486-F491 PolarHBondContact O-N 3.12Å
487	N	81.5	Confident	81.5	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-73.5	-21.5	178.2	64	-31.1	0	0	0	114.6	L485 N504 Q507 V563 R564	L485-N487 VanDerWaalsContact C-N 3.31Å; L485-N487 PolarHBondContact O-N 3.03Å; N487-N504 PolarHBondContact ND2-OD1 3.49Å; N487-Q507 PolarHBondContact ND2-NE2 3.46Å; N487-Q507 PolarHBondContact ND2-OE1 3.28Å; N487-Q507 PolarHBondContact OD1-NE2 3.33Å; N487-V563 HydrophobicContact CB-CG1 3.69Å; N487-R564 PolarHBondContact O-NH1 3.47Å
488	V	81.2	Confident	81.6	Confident	76 Å²	76	61.5 Å²	61.5	46%	0.461	28%	0.282	S	S	.	.	H	α-helix	trans	-95.8	-47	-177.8	177.1	0	0	0	0	110.6	L485 R564 P565	L485-V488 PolarHBondContact O-N 3.18Å; V488-R564 PolarHBondContact O-NH1 2.92Å; V488-P565 HydrophobicContact CG2-CG 4.14Å
489	I	79.8	Confident	81.9	Confident	109 Å²	109	55.7 Å²	55.7	56%	0.559	26%	0.257	S	S	*	.	H	α-helix	trans	-76.9	-65.6	-170.7	-60.6	172.8	0	0	0	111.2	L485	L485-I489 HydrophobicContact CB-CD1 3.67Å; L485-I489 HydrophobicContact CB-CG1 4.2Å; L485-I489 HydrophobicContact CD1-CD1 4.22Å; L485-I489 PolarHBondContact O-N 2.92Å; L485-I489 VanDerWaalsContact O-N 3.13Å
490	D	79.4	Confident	82.4	Confident	52 Å²	52	53.5 Å²	53.5	28%	0.278	25%	0.248	S	C	.	.			trans	-154.6	102	-179.2	-176.2	-5.1	0	0	0	109.4	T486 R492 N493 S494	T486-D490 CarbonylContact O-C 3.45Å; T486-D490 VanDerWaalsContact O-C 3.31Å; D490-R492 PolarHBondContact OD1-N 3.39Å; D490-N493 PolarHBondContact OD1-N 2.92Å; D490-N493 WeakPolarHBondContact OD2-CB 3.41Å; D490-N493 PolarHBondContact OD2-ND2 2.99Å; D490-S494 WeakPolarHBondContact O-CB 3.41Å; D490-S494 PolarHBondContact O-N 3.4Å
491	F	82.6	Confident	83.1	Confident	21 Å²	21	50 Å²	50	9%	0.092	24%	0.235	C	C	.	.	S	Bend	trans	-76	-39.2	-179.2	177	-107	0	0	0	112.3	T486 N493 S494 Q497 W500 D559 V563	T486-F491 PolarHBondContact O-N 3.12Å; F491-N493 VanDerWaalsContact C-N 3.27Å; F491-N493 PolarHBondContact O-N 2.96Å; F491-S494 WeakPolarHBondContact O-CB 3.4Å; F491-S494 PolarHBondContact O-N 3.35Å; F491-S494 PolarHBondContact O-OG 3.42Å; F491-Q497 HydrophobicContact CE2-CB 4.06Å; F491-Q497 HydrophobicContact CE2-CG 4.46Å; F491-Q497 WeakPolarHBondContact CE2-O 3.25Å; F491-Q497 HydrophobicContact CZ-CB 3.99Å; F491-Q497 HydrophobicContact CZ-CG 4.41Å; F491-W500 HydrophobicContact CD2-CB 4.39Å; F491-W500 HydrophobicContact CE2-CB 3.88Å; F491-W500 HydrophobicContact CE2-CG 4.24Å; F491-D559 HydrophobicContact CD1-CB 4.06Å; F491-D559 WeakPolarHBondContact CD1-OD1 2.87Å; F491-D559 VanDerWaalsContact CE1-OD1 3.28Å; F491-D559 WeakPolarHBondContact CE1-OD1 2.93Å; F491-V563 HydrophobicContact CB-CG1 4.21Å; F491-V563 HydrophobicContact CD1-CG1 4.41Å; F491-V563 HydrophobicContact CD1-CG2 3.85Å; F491-V563 HydrophobicContact CD2-CB 4.32Å; F491-V563 HydrophobicContact CD2-CG1 3.46Å; F491-V563 VanDerWaalsContact CD2-CG1 3.46Å; F491-V563 HydrophobicContact CD2-CG2 3.98Å; F491-V563 HydrophobicContact CE1-CG2 3.58Å; F491-V563 HydrophobicContact CE2-CB 4.45Å; F491-V563 HydrophobicContact CE2-CG1 3.86Å; F491-V563 HydrophobicContact CE2-CG2 3.7Å; F491-V563 HydrophobicContact CG-CB 4.35Å; F491-V563 HydrophobicContact CG-CG1 3.75Å; F491-V563 HydrophobicContact CG-CG2 4.03Å; F491-V563 HydrophobicContact CZ-CG1 4.48Å; F491-V563 HydrophobicContact CZ-CG2 3.49Å; F491-V563 VanDerWaalsContact CZ-CG2 3.49Å
492	R	80.2	Confident	84.2	Confident	159 Å²	159	44.4 Å²	44.4	60%	0.6	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-37.8	-174.3	-69.8	-173.4	-179.1	169.2	5	111.3	D490 Q497 D559 E560	D490-R492 PolarHBondContact OD1-N 3.39Å; R492-Q497 PolarHBondContact O-NE2 3.4Å; R492-D559 WeakPolarHBondContact CG-OD2 3.27Å; R492-D559 IonicContact NE-OD2 3.22Å; R492-D559 PolarHBondContact NE-OD2 3.46Å; R492-E560 IonicContact NH2-OE1 2.92Å
493	N	81.8	Confident	85.3	Confident	58 Å²	58	39.1 Å²	39.1	31%	0.31	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	13.5	176.3	-55.7	-52.6	0	0	0	113.7	N475 Y479 D490 F491	N475-N493 HydrophobicContact CB-CB 4.44Å; N475-N493 WeakPolarHBondContact CB-O 3.49Å; N475-N493 PolarHBondContact ND2-OD1 3.17Å; Y479-N493 WeakPolarHBondContact CB-O 3.33Å; Y479-N493 HydrophobicContact CD2-CB 3.98Å; Y479-N493 WeakPolarHBondContact CD2-O 3.09Å; Y479-N493 HydrophobicContact CE2-CB 3.91Å; D490-N493 PolarHBondContact OD1-N 2.92Å; D490-N493 WeakPolarHBondContact OD2-CB 3.41Å; D490-N493 PolarHBondContact OD2-ND2 2.99Å; F491-N493 VanDerWaalsContact C-N 3.27Å; F491-N493 PolarHBondContact O-N 2.96Å
494	S	83.8	Confident	86	Confident	8 Å²	8	34.9 Å²	34.9	6%	0.056	17%	0.168	C	C	.	.			trans	-72.6	145.1	-179.2	63.8	0	0	0	0	113	D490 F491	D490-S494 WeakPolarHBondContact O-CB 3.41Å; D490-S494 PolarHBondContact O-N 3.4Å; F491-S494 WeakPolarHBondContact O-CB 3.4Å; F491-S494 PolarHBondContact O-N 3.35Å; F491-S494 PolarHBondContact O-OG 3.42Å
495	C	87.9	Confident	86.6	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.007	17%	0.17	C	C	.	.	S	Bend	trans	-67.4	142.4	167.7	-179	0	0	0	0	110.8	C476 Y479 W480	C476-C495 VanDerWaalsContact CA-CB 3.46Å; C476-C495 HydrophobicContact CB-CB 3.6Å; C476-C495 WeakPolarHBondContact CB-SG 3.47Å; C476-C495 WeakPolarHBondContact SG-CB 3.37Å; C476-C495 CovalentContact SG-SG 2.04Å; C476-C495 PolarHBondContact SG-SG 2.84Å; Y479-C495 WeakPolarHBondContact O-CB 3.48Å; Y479-C495 PolarHBondContact O-N 3.24Å; W480-C495 HydrophobicContact CB-CB 4.32Å
496	L	89.2	Confident	87.1	Confident	5 Å²	5	32 Å²	32	3%	0.026	15%	0.154	C	C	.	.	S	Bend	trans	44.8	67.7	179.3	-56.1	-179.4	0	0	0	111.2	Y444 T447 V448 F451 W498 S499	Y444-L496 HydrophobicContact CD2-CD1 4.15Å; Y444-L496 HydrophobicContact CE2-CD1 3.83Å; T447-L496 HydrophobicContact CG2-CD1 3.91Å; V448-L496 HydrophobicContact CG2-CD1 3.55Å; V448-L496 HydrophobicContact CG2-CG 4.18Å; F451-L496 HydrophobicContact CB-CD2 3.91Å; F451-L496 HydrophobicContact CD1-CD2 3.89Å; F451-L496 HydrophobicContact CD2-CD2 4.11Å; F451-L496 HydrophobicContact CE1-CD2 4.45Å; F451-L496 HydrophobicContact CG-CD2 3.69Å; L496-W498 HydrophobicContact CB-CD2 4.39Å; L496-W498 HydrophobicContact CB-CH2 4.49Å; L496-W498 HydrophobicContact CB-CZ2 4.17Å; L496-W498 HydrophobicContact CD2-CH2 3.54Å; L496-W498 HydrophobicContact CD2-CZ2 3.4Å; L496-W498 HydrophobicContact CD2-CZ3 4.43Å; L496-W498 HydrophobicContact CG-CZ2 4.25Å; L496-W498 PolarHBondContact O-N 3.15Å; L496-S499 WeakPolarHBondContact O-CA 3.41Å; L496-S499 WeakPolarHBondContact O-CB 3.35Å; L496-S499 PolarHBondContact O-N 3.43Å; L496-S499 PolarHBondContact O-OG 3.45Å
497	Q	87.8	Confident	87.8	Confident	91 Å²	91	32.9 Å²	32.9	43%	0.425	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-50	-37.4	-171.2	-72.8	176.2	-15	0	0	113.2	F491 R492 S499 W500	F491-Q497 HydrophobicContact CE2-CB 4.06Å; F491-Q497 HydrophobicContact CE2-CG 4.46Å; F491-Q497 WeakPolarHBondContact CE2-O 3.25Å; F491-Q497 HydrophobicContact CZ-CB 3.99Å; F491-Q497 HydrophobicContact CZ-CG 4.41Å; R492-Q497 PolarHBondContact O-NE2 3.4Å; Q497-S499 PolarHBondContact O-N 2.76Å; Q497-W500 PolarHBondContact O-N 3.39Å; Q497-W500 VanDerWaalsContact O-N 3.12Å
498	W	90.8	Very high	88.4	Confident	27 Å²	27	33.3 Å²	33.3	10%	0.102	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-59.6	-17.6	175.2	60.5	95.7	0	0	0	114.8	F451 L496 W500 Y685 L686 P689 I690	F451-W498 HydrophobicContact CD2-CH2 4.23Å; F451-W498 AromaticContact CE2-CH2 3.99Å; F451-W498 HydrophobicContact CE2-CH2 3.99Å; L496-W498 HydrophobicContact CB-CD2 4.39Å; L496-W498 HydrophobicContact CB-CH2 4.49Å; L496-W498 HydrophobicContact CB-CZ2 4.17Å; L496-W498 HydrophobicContact CD2-CH2 3.54Å; L496-W498 HydrophobicContact CD2-CZ2 3.4Å; L496-W498 HydrophobicContact CD2-CZ3 4.43Å; L496-W498 HydrophobicContact CG-CZ2 4.25Å; L496-W498 PolarHBondContact O-N 3.15Å; W498-W500 PolarHBondContact O-N 2.84Å; W498-Y685 PolarHBondContact O-OH 3.07Å; W498-L686 PolarHBondContact NE1-O 3.37Å; W498-P689 HydrophobicContact CB-CG 4.26Å; W498-P689 HydrophobicContact CD2-CB 3.8Å; W498-P689 HydrophobicContact CD2-CG 3.55Å; W498-P689 HydrophobicContact CE3-CB 3.77Å; W498-P689 HydrophobicContact CE3-CG 4.04Å; W498-P689 HydrophobicContact CG-CB 4.39Å; W498-P689 HydrophobicContact CG-CG 3.66Å; W498-P689 HydrophobicContact CH2-CB 4.02Å; W498-P689 HydrophobicContact CZ2-CB 4Å; W498-P689 HydrophobicContact CZ2-CG 4.13Å; W498-P689 HydrophobicContact CZ3-CB 3.9Å; W498-I690 HydrophobicContact CH2-CG1 4.03Å; W498-I690 HydrophobicContact CZ2-CD1 4.35Å; W498-I690 HydrophobicContact CZ2-CG1 3.82Å
499	S	92	Very high	89	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.007	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-68.2	-6.9	174.8	71.8	0	0	0	0	113.9	L496 Q497 Y501 I502 A503	L496-S499 WeakPolarHBondContact O-CA 3.41Å; L496-S499 WeakPolarHBondContact O-CB 3.35Å; L496-S499 PolarHBondContact O-N 3.43Å; L496-S499 PolarHBondContact O-OG 3.45Å; Q497-S499 PolarHBondContact O-N 2.76Å; S499-Y501 PolarHBondContact O-N 3.21Å; S499-Y501 VanDerWaalsContact O-N 3.12Å; S499-I502 WeakPolarHBondContact O-CA 3.19Å; S499-I502 WeakPolarHBondContact O-CB 3.48Å; S499-I502 PolarHBondContact O-N 3.4Å; S499-A503 PolarHBondContact O-N 2.97Å
500	W	91.5	Very high	89.6	Confident	8 Å²	8	27.1 Å²	27.1	3%	0.03	13%	0.126	C	C	.	.	H	α-helix	trans	-51.1	-36.6	175.6	70.3	-98.2	0	0	0	113.4	P397 F401 F491 Q497 W498 I502 A503 N504 Y562 V563	P397-W500 HydrophobicContact CB-CH2 4.04Å; P397-W500 HydrophobicContact CB-CZ2 4.26Å; P397-W500 HydrophobicContact CG-CH2 4.44Å; P397-W500 HydrophobicContact CG-CZ2 4.2Å; F401-W500 HydrophobicContact CE2-CH2 4.09Å; F401-W500 AromaticContact CE2-CZ3 3.83Å; F401-W500 HydrophobicContact CE2-CZ3 3.83Å; F401-W500 HydrophobicContact CZ-CH2 4.38Å; F401-W500 AromaticContact CZ-CZ3 3.78Å; F401-W500 HydrophobicContact CZ-CZ3 3.78Å; F491-W500 HydrophobicContact CD2-CB 4.39Å; F491-W500 HydrophobicContact CE2-CB 3.88Å; F491-W500 HydrophobicContact CE2-CG 4.24Å; Q497-W500 PolarHBondContact O-N 3.39Å; Q497-W500 VanDerWaalsContact O-N 3.12Å; W498-W500 PolarHBondContact O-N 2.84Å; W500-I502 VanDerWaalsContact C-N 3.35Å; W500-A503 WeakPolarHBondContact O-CB 3.27Å; W500-A503 PolarHBondContact O-N 2.84Å; W500-N504 WeakPolarHBondContact CZ3-ND2 3.48Å; W500-N504 PolarHBondContact O-N 2.81Å; W500-Y562 AromaticContact CE2-CE1 3.62Å; W500-Y562 HydrophobicContact CH2-CE1 4.21Å; W500-Y562 HydrophobicContact CZ2-CD1 4.2Å; W500-Y562 AromaticContact CZ2-CE1 3.41Å; W500-Y562 HydrophobicContact CZ2-CE1 3.41Å; W500-Y562 VanDerWaalsContact CZ2-CE1 3.41Å; W500-Y562 AromaticContact CZ2-CZ 3.64Å; W500-Y562 AromaticContact NE1-CE1 3.72Å; W500-V563 HydrophobicContact CB-CG1 3.93Å; W500-V563 HydrophobicContact CG-CG1 4.44Å; W500-V563 HydrophobicContact CG-CG2 4.43Å
501	Y	91.9	Very high	90.3	Very high	28 Å²	28	29.8 Å²	29.8	11%	0.11	14%	0.139	C	C	.	.	H	α-helix	trans	-61.1	-45.4	176.8	158.9	-97.2	0	0	0	110.8	P397 F400 F401 S499 A503 N504 D505 Y685	P397-Y501 HydrophobicContact CB-CD2 4.17Å; F400-Y501 HydrophobicContact CB-CE1 4.46Å; F400-Y501 HydrophobicContact CB-CE2 3.6Å; F400-Y501 WeakPolarHBondContact CB-OH 3.23Å; F401-Y501 AromaticContact CD1-CD2 3.93Å; F401-Y501 HydrophobicContact CD1-CD2 3.93Å; F401-Y501 AromaticContact CD1-CE2 3.56Å; F401-Y501 HydrophobicContact CD1-CE2 3.56Å; F401-Y501 HydrophobicContact CD2-CD2 4.25Å; F401-Y501 HydrophobicContact CD2-CE2 4.32Å; F401-Y501 AromaticContact CE1-CD2 3.42Å; F401-Y501 HydrophobicContact CE1-CD2 3.42Å; F401-Y501 VanDerWaalsContact CE1-CD2 3.42Å; F401-Y501 AromaticContact CE1-CE2 3.51Å; F401-Y501 HydrophobicContact CE1-CE2 3.51Å; F401-Y501 HydrophobicContact CE1-CG 4.41Å; F401-Y501 WeakPolarHBondContact CE1-O 3.38Å; F401-Y501 AromaticContact CE2-CD2 3.79Å; F401-Y501 HydrophobicContact CE2-CD2 3.79Å; F401-Y501 HydrophobicContact CE2-CE2 4.28Å; F401-Y501 HydrophobicContact CG-CD2 4.31Å; F401-Y501 AromaticContact CG-CE2 3.96Å; F401-Y501 HydrophobicContact CG-CE2 3.96Å; F401-Y501 AromaticContact CZ-CD2 3.34Å; F401-Y501 HydrophobicContact CZ-CD2 3.34Å; F401-Y501 AromaticContact CZ-CE2 3.9Å; F401-Y501 HydrophobicContact CZ-CE2 3.9Å; F401-Y501 HydrophobicContact CZ-CG 4.28Å; S499-Y501 PolarHBondContact O-N 3.21Å; S499-Y501 VanDerWaalsContact O-N 3.12Å; Y501-A503 VanDerWaalsContact C-N 3.3Å; Y501-A503 PolarHBondContact O-N 3.22Å; Y501-N504 PolarHBondContact O-N 2.94Å; Y501-D505 VanDerWaalsContact O-CB 3.24Å; Y501-D505 WeakPolarHBondContact O-CB 3.2Å; Y501-D505 PolarHBondContact O-N 2.64Å; Y501-Y685 WeakPolarHBondContact CB-OH 3.42Å; Y501-Y685 HydrophobicContact CD1-CE1 4.02Å
502	I	93.3	Very high	90.9	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.015	14%	0.138	C	C	.	.	H	α-helix	trans	-65.7	-39	179.2	-55.2	166.1	0	0	0	109.6	L440 Y484 S499 W500 D505 I506 Y682 Y685 L686	L440-I502 HydrophobicContact CD1-CG2 4.44Å; Y484-I502 HydrophobicContact CD1-CG2 3.97Å; Y484-I502 HydrophobicContact CE1-CB 4.33Å; Y484-I502 HydrophobicContact CE1-CG2 3.49Å; Y484-I502 VanDerWaalsContact CE1-CG2 3.49Å; S499-I502 WeakPolarHBondContact O-CA 3.19Å; S499-I502 WeakPolarHBondContact O-CB 3.48Å; S499-I502 PolarHBondContact O-N 3.4Å; W500-I502 VanDerWaalsContact C-N 3.35Å; I502-D505 PolarHBondContact O-N 3.01Å; I502-I506 HydrophobicContact CG2-CD1 4.15Å; I502-I506 PolarHBondContact O-N 3.24Å; I502-Y682 HydrophobicContact CD1-CE2 3.76Å; I502-Y682 HydrophobicContact CG1-CE2 4.24Å; I502-Y685 HydrophobicContact CD1-CD1 4.02Å; I502-Y685 HydrophobicContact CD1-CE1 3.99Å; I502-Y685 HydrophobicContact CG1-CD1 4.32Å; I502-Y685 HydrophobicContact CG1-CE1 4.05Å; I502-L686 HydrophobicContact CD1-CD2 3.5Å; I502-L686 HydrophobicContact CD1-CG 4.43Å
503	A	92.9	Very high	91.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.9	-49.6	176.3	0	0	0	0	0	112.4	Y484 S499 W500 Y501 D505 I506 Q507	Y484-A503 WeakPolarHBondContact O-CB 3.32Å; S499-A503 PolarHBondContact O-N 2.97Å; W500-A503 WeakPolarHBondContact O-CB 3.27Å; W500-A503 PolarHBondContact O-N 2.84Å; Y501-A503 VanDerWaalsContact C-N 3.3Å; Y501-A503 PolarHBondContact O-N 3.22Å; A503-D505 VanDerWaalsContact C-N 3.31Å; A503-D505 PolarHBondContact O-N 3.28Å; A503-I506 PolarHBondContact O-N 3.39Å; A503-Q507 WeakPolarHBondContact O-CG 3.49Å; A503-Q507 PolarHBondContact O-N 3.08Å
504	N	93.9	Very high	92.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-56.7	-46.2	173.6	-80.4	-13	0	0	0	111.5	F401 N487 W500 Y501 I506 Q507 Y508 V563 P565	F401-N504 HydrophobicContact CE1-CB 3.58Å; F401-N504 HydrophobicContact CZ-CB 3.57Å; N487-N504 PolarHBondContact ND2-OD1 3.49Å; W500-N504 WeakPolarHBondContact CZ3-ND2 3.48Å; W500-N504 PolarHBondContact O-N 2.81Å; Y501-N504 PolarHBondContact O-N 2.94Å; N504-I506 PolarHBondContact O-N 2.97Å; N504-Q507 PolarHBondContact O-N 2.82Å; N504-Y508 HydrophobicContact CB-CD2 4.49Å; N504-Y508 HydrophobicContact CB-CE2 3.85Å; N504-Y508 WeakPolarHBondContact O-CD2 3.34Å; N504-Y508 PolarHBondContact O-N 3.36Å; N504-V563 PolarHBondContact ND2-O 2.95Å; N504-V563 PolarHBondContact OD1-O 3.23Å; N504-P565 WeakPolarHBondContact OD1-CA 3.39Å; N504-P565 WeakPolarHBondContact OD1-CB 3.42Å
505	D	94.2	Very high	92.7	Very high	11 Å²	11	23.3 Å²	23.3	6%	0.059	12%	0.117	C	C	.	.	H	α-helix	trans	-63.1	-38.8	-177.6	175.8	60.9	0	0	0	112.7	F401 S404 R436 Y501 I502 A503 T509	F401-D505 HydrophobicContact CD1-CB 4.44Å; F401-D505 HydrophobicContact CE1-CB 4.13Å; S404-D505 WeakPolarHBondContact CB-OD1 3.27Å; S404-D505 PolarHBondContact OG-OD1 3.22Å; R436-D505 IonicContact CZ-OD1 3.87Å; R436-D505 IonicContact CZ-OD2 3.32Å; R436-D505 PolarHBondContact NH1-O 2.91Å; R436-D505 IonicContact NH1-OD1 3.27Å; R436-D505 IonicContact NH1-OD2 3.98Å; R436-D505 PolarHBondContact NH1-OD2 3.39Å; R436-D505 IonicContact NH2-OD1 2.67Å; R436-D505 PolarHBondContact NH2-OD1 3.29Å; R436-D505 IonicContact NH2-OD2 3.8Å; R436-D505 PolarHBondContact NH2-OD2 2.96Å; Y501-D505 VanDerWaalsContact O-CB 3.24Å; Y501-D505 WeakPolarHBondContact O-CB 3.2Å; Y501-D505 PolarHBondContact O-N 2.64Å; I502-D505 PolarHBondContact O-N 3.01Å; A503-D505 VanDerWaalsContact C-N 3.31Å; A503-D505 PolarHBondContact O-N 3.28Å; D505-T509 WeakPolarHBondContact O-CB 3.35Å; D505-T509 PolarHBondContact O-N 2.72Å; D505-T509 VanDerWaalsContact O-N 3.08Å; D505-T509 PolarHBondContact O-OG1 3.2Å
506	I	93.8	Very high	93.1	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.031	12%	0.116	C	C	.	.	H	α-helix	trans	-66.5	-45.4	171.5	-72.1	171.7	0	0	0	111.2	R436 F437 L440 Y484 I502 A503 N504 Y508 T509 V510	R436-I506 VanDerWaalsContact NH1-CA 3.29Å; F437-I506 HydrophobicContact CE1-CG2 4.15Å; F437-I506 HydrophobicContact CE2-CG2 3.91Å; F437-I506 HydrophobicContact CZ-CG2 3.52Å; L440-I506 HydrophobicContact CD1-CD1 3.93Å; L440-I506 HydrophobicContact CD1-CG1 4Å; Y484-I506 HydrophobicContact CD1-CD1 3.66Å; Y484-I506 HydrophobicContact CD2-CD1 3.31Å; Y484-I506 HydrophobicContact CE1-CD1 3.66Å; Y484-I506 HydrophobicContact CE2-CD1 3.31Å; Y484-I506 HydrophobicContact CG-CD1 3.46Å; Y484-I506 VanDerWaalsContact CG-CD1 3.46Å; Y484-I506 VanDerWaalsContact CZ-CD1 3.47Å; I502-I506 HydrophobicContact CG2-CD1 4.15Å; I502-I506 PolarHBondContact O-N 3.24Å; A503-I506 PolarHBondContact O-N 3.39Å; N504-I506 PolarHBondContact O-N 2.97Å; I506-Y508 VanDerWaalsContact C-N 3.33Å; I506-Y508 PolarHBondContact O-N 3.2Å; I506-T509 PolarHBondContact O-N 3.28Å; I506-T509 VanDerWaalsContact O-N 3.13Å; I506-V510 HydrophobicContact CG2-CG2 4.01Å; I506-V510 WeakPolarHBondContact O-CB 3.42Å; I506-V510 VanDerWaalsContact O-CG2 3.25Å; I506-V510 WeakPolarHBondContact O-CG2 3.43Å; I506-V510 PolarHBondContact O-N 3.09Å
507	Q	93.5	Very high	93.3	Very high	27 Å²	27	23 Å²	23	13%	0.126	12%	0.115	C	C	.	.	H	α-helix	trans	-60.2	-43.1	178.6	-69.3	163	12.8	0	0	111.7	Y484 N487 A503 N504 T509 V510 I511	Y484-Q507 PolarHBondContact O-NE2 3.42Å; N487-Q507 PolarHBondContact ND2-NE2 3.46Å; N487-Q507 PolarHBondContact ND2-OE1 3.28Å; N487-Q507 PolarHBondContact OD1-NE2 3.33Å; A503-Q507 WeakPolarHBondContact O-CG 3.49Å; A503-Q507 PolarHBondContact O-N 3.08Å; N504-Q507 PolarHBondContact O-N 2.82Å; Q507-T509 VanDerWaalsContact C-N 3.33Å; Q507-T509 PolarHBondContact O-N 2.9Å; Q507-V510 PolarHBondContact O-N 2.89Å; Q507-I511 WeakPolarHBondContact O-CB 3.26Å; Q507-I511 PolarHBondContact O-N 3.02Å
508	Y	95.1	Very high	93.5	Very high	9 Å²	9	21.5 Å²	21.5	4%	0.035	11%	0.112	C	C	.	.	I	π-helix	trans	-64.7	-38.1	175.5	-57.9	-28.7	0	0	0	112.1	F401 N504 I506 L512 A513 P565 C569 Y572	F401-Y508 HydrophobicContact CD1-CD2 4.03Å; F401-Y508 AromaticContact CD1-CE2 3.79Å; F401-Y508 HydrophobicContact CD1-CE2 3.79Å; F401-Y508 HydrophobicContact CE1-CD2 4.18Å; F401-Y508 AromaticContact CE1-CE2 3.73Å; F401-Y508 HydrophobicContact CE1-CE2 3.73Å; F401-Y508 HydrophobicContact CG-CE2 4.42Å; F401-Y508 HydrophobicContact CZ-CE2 4.3Å; N504-Y508 HydrophobicContact CB-CD2 4.49Å; N504-Y508 HydrophobicContact CB-CE2 3.85Å; N504-Y508 WeakPolarHBondContact O-CD2 3.34Å; N504-Y508 PolarHBondContact O-N 3.36Å; I506-Y508 VanDerWaalsContact C-N 3.33Å; I506-Y508 PolarHBondContact O-N 3.2Å; Y508-L512 HydrophobicContact CD1-CD2 4.42Å; Y508-L512 WeakPolarHBondContact O-CA 3.28Å; Y508-L512 VanDerWaalsContact O-CB 3.3Å; Y508-L512 WeakPolarHBondContact O-CB 3.37Å; Y508-L512 PolarHBondContact O-N 2.96Å; Y508-A513 PolarHBondContact O-N 3.34Å; Y508-P565 HydrophobicContact CE1-CB 3.98Å; Y508-P565 WeakPolarHBondContact CE1-O 3.33Å; Y508-P565 WeakPolarHBondContact OH-CA 3.24Å; Y508-P565 PolarHBondContact OH-O 2.94Å; Y508-C569 HydrophobicContact CD1-CB 4.22Å; Y508-C569 HydrophobicContact CE1-CB 3.55Å; Y508-C569 PolarHBondContact OH-N 3.41Å; Y508-Y572 HydrophobicContact CD2-CD1 4.35Å; Y508-Y572 AromaticContact CD2-CD2 3.72Å; Y508-Y572 HydrophobicContact CD2-CD2 3.72Å; Y508-Y572 HydrophobicContact CD2-CE2 4.42Å; Y508-Y572 AromaticContact CD2-CG 3.67Å; Y508-Y572 HydrophobicContact CD2-CG 3.67Å; Y508-Y572 HydrophobicContact CG-CD1 4.22Å; Y508-Y572 HydrophobicContact CG-CD2 4.24Å; Y508-Y572 HydrophobicContact CG-CG 4.01Å
509	T	93.5	Very high	93.7	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	12%	0.118	C	C	.	.	I	π-helix	trans	-71.4	-35.7	176.9	-62.4	0	0	0	0	113.1	M408 R436 D505 I506 Q507 P514 Y572	M408-T509 HydrophobicContact CE-CG2 3.37Å; M408-T509 HydrophobicContact SD-CG2 4.09Å; R436-T509 VanDerWaalsContact CD-CG2 3.46Å; R436-T509 PolarHBondContact NE-OG1 2.97Å; R436-T509 PolarHBondContact NH1-OG1 3.04Å; R436-T509 VanDerWaalsContact NH1-OG1 3.08Å; R436-T509 PolarHBondContact NH2-OG1 2.9Å; R436-T509 VanDerWaalsContact NH2-OG1 3.12Å; D505-T509 WeakPolarHBondContact O-CB 3.35Å; D505-T509 PolarHBondContact O-N 2.72Å; D505-T509 VanDerWaalsContact O-N 3.08Å; D505-T509 PolarHBondContact O-OG1 3.2Å; I506-T509 PolarHBondContact O-N 3.28Å; I506-T509 VanDerWaalsContact O-N 3.13Å; Q507-T509 VanDerWaalsContact C-N 3.33Å; Q507-T509 PolarHBondContact O-N 2.9Å; T509-P514 WeakPolarHBondContact O-CD 3.46Å; T509-Y572 PolarHBondContact OG1-OH 2.98Å
510	V	93.6	Very high	93.7	Very high	53 Å²	53	22.4 Å²	22.4	32%	0.321	12%	0.119	S	C	.	.	I	π-helix	trans	-79.2	-33.7	-177.6	171.6	0	0	0	0	111.9	I433 F437 I506 Q507 P514	I433-V510 HydrophobicContact CD1-CG1 4.22Å; I433-V510 HydrophobicContact CD1-CG2 4.47Å; I433-V510 HydrophobicContact CG1-CG2 4.18Å; I433-V510 HydrophobicContact CG2-CG2 4.09Å; F437-V510 HydrophobicContact CE2-CG2 3.94Å; I506-V510 HydrophobicContact CG2-CG2 4.01Å; I506-V510 WeakPolarHBondContact O-CB 3.42Å; I506-V510 VanDerWaalsContact O-CG2 3.25Å; I506-V510 WeakPolarHBondContact O-CG2 3.43Å; I506-V510 PolarHBondContact O-N 3.09Å; Q507-V510 PolarHBondContact O-N 2.89Å; V510-P514 WeakPolarHBondContact O-CG 3.39Å
511	I	93.4	Very high	93.6	Very high	108 Å²	108	24.5 Å²	24.5	55%	0.554	13%	0.132	S	C	*	.	I	π-helix	trans	-110.4	-59.8	-172.7	-56.8	175.8	0	0	0	111.1	Q507 P514 I515	Q507-I511 WeakPolarHBondContact O-CB 3.26Å; Q507-I511 PolarHBondContact O-N 3.02Å; I511-P514 WeakPolarHBondContact O-CD 3.29Å; I511-I515 HydrophobicContact CG2-CD1 4.13Å; I511-I515 WeakPolarHBondContact O-CD1 3.44Å; I511-I515 VanDerWaalsContact O-CG1 3.3Å; I511-I515 WeakPolarHBondContact O-CG1 3.39Å
512	L	94.4	Very high	93.5	Very high	14 Å²	14	31.6 Å²	31.6	7%	0.073	16%	0.159	C	C	.	.	I	π-helix	trans	-71.3	-42.2	-168.8	-169.7	60.4	0	0	0	112.3	Y508 I515 F516 F530 F534 C569 Y572 M573	Y508-L512 HydrophobicContact CD1-CD2 4.42Å; Y508-L512 WeakPolarHBondContact O-CA 3.28Å; Y508-L512 VanDerWaalsContact O-CB 3.3Å; Y508-L512 WeakPolarHBondContact O-CB 3.37Å; Y508-L512 PolarHBondContact O-N 2.96Å; L512-I515 PolarHBondContact O-N 3.26Å; L512-F516 WeakPolarHBondContact O-CB 3.31Å; L512-F516 PolarHBondContact O-N 2.96Å; L512-F530 HydrophobicContact CD1-CE1 3.86Å; L512-F530 HydrophobicContact CD1-CZ 4.03Å; L512-F534 HydrophobicContact CD1-CD1 4.12Å; L512-F534 HydrophobicContact CD1-CE1 4.3Å; L512-C569 HydrophobicContact CD2-CB 4.29Å; L512-Y572 HydrophobicContact CD2-CD1 3.89Å; L512-Y572 HydrophobicContact CD2-CE1 4.43Å; L512-M573 HydrophobicContact CD1-CE 3.43Å; L512-M573 VanDerWaalsContact CD1-CE 3.43Å; L512-M573 HydrophobicContact CD2-CE 3.81Å; L512-M573 HydrophobicContact CG-CE 3.65Å
513	A	95.5	Very high	93.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.4	-46.8	-177.2	0	0	0	0	0	113.9	M408 W429 Y508 I515 F516 I517 M576	M408-A513 HydrophobicContact CG-CB 3.78Å; W429-A513 HydrophobicContact CH2-CB 4.42Å; W429-A513 HydrophobicContact CZ3-CB 4.41Å; Y508-A513 PolarHBondContact O-N 3.34Å; A513-I515 VanDerWaalsContact C-N 3.32Å; A513-I515 PolarHBondContact O-N 3.1Å; A513-F516 PolarHBondContact O-N 2.92Å; A513-I517 WeakPolarHBondContact O-CB 3.47Å; A513-I517 VanDerWaalsContact O-CG1 3.32Å; A513-I517 WeakPolarHBondContact O-CG1 3.38Å; A513-I517 PolarHBondContact O-N 3.28Å; A513-M576 HydrophobicContact CB-CE 3.74Å; A513-M576 HydrophobicContact CB-SD 4.45Å
514	P	94.5	Very high	93.4	Very high	21 Å²	21	43.3 Å²	43.3	14%	0.136	21%	0.206	C	C	.	.	H	α-helix	trans	-56.4	-45	174.8	-26.2	32.2	0	0	0	113.2	W429 T509 V510 I511 T518	W429-P514 HydrophobicContact CD2-CB 3.85Å; W429-P514 HydrophobicContact CD2-CG 3.9Å; W429-P514 HydrophobicContact CE3-CB 4.04Å; W429-P514 HydrophobicContact CE3-CG 3.58Å; W429-P514 HydrophobicContact CG-CB 4.3Å; W429-P514 HydrophobicContact CH2-CB 4.32Å; W429-P514 HydrophobicContact CH2-CG 4.26Å; W429-P514 VanDerWaalsContact CZ2-CA 3.46Å; W429-P514 HydrophobicContact CZ2-CB 4.22Å; W429-P514 HydrophobicContact CZ3-CB 4.24Å; W429-P514 HydrophobicContact CZ3-CG 3.75Å; T509-P514 WeakPolarHBondContact O-CD 3.46Å; V510-P514 WeakPolarHBondContact O-CG 3.39Å; I511-P514 WeakPolarHBondContact O-CD 3.29Å; P514-T518 WeakPolarHBondContact O-CB 3.32Å; P514-T518 PolarHBondContact O-N 2.87Å; P514-T518 VanDerWaalsContact O-N 3.09Å; P514-T518 PolarHBondContact O-OG1 3.1Å
515	I	94.3	Very high	93.4	Very high	75 Å²	75	49.3 Å²	49.3	39%	0.385	24%	0.237	S	C	.	.	H	α-helix	trans	-64.7	-54.7	-178.7	-63.1	169.4	0	0	0	109.9	I511 L512 A513 I517 T518 L519 F530	I511-I515 HydrophobicContact CG2-CD1 4.13Å; I511-I515 WeakPolarHBondContact O-CD1 3.44Å; I511-I515 VanDerWaalsContact O-CG1 3.3Å; I511-I515 WeakPolarHBondContact O-CG1 3.39Å; L512-I515 PolarHBondContact O-N 3.26Å; A513-I515 VanDerWaalsContact C-N 3.32Å; A513-I515 PolarHBondContact O-N 3.1Å; I515-I517 PolarHBondContact O-N 3.47Å; I515-T518 PolarHBondContact O-N 3.19Å; I515-L519 HydrophobicContact CG2-CD1 3.91Å; I515-L519 HydrophobicContact CG2-CG 4.48Å; I515-L519 WeakPolarHBondContact O-CB 3.33Å; I515-L519 VanDerWaalsContact O-CG 3.25Å; I515-L519 WeakPolarHBondContact O-CG 3.32Å; I515-L519 PolarHBondContact O-N 3.47Å; I515-F530 HydrophobicContact CB-CZ 4.31Å; I515-F530 HydrophobicContact CG2-CE1 4.18Å; I515-F530 HydrophobicContact CG2-CE2 3.71Å; I515-F530 HydrophobicContact CG2-CZ 3.52Å
516	F	95.7	Very high	93.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.8	-47.7	-175.3	174.4	-104.8	0	0	0	113	L512 A513 L519 L520 G527 F530 A531 M573 M576 L577	L512-F516 WeakPolarHBondContact O-CB 3.31Å; L512-F516 PolarHBondContact O-N 2.96Å; A513-F516 PolarHBondContact O-N 2.92Å; F516-L519 PolarHBondContact O-N 3.41Å; F516-L520 HydrophobicContact CD1-CD1 3.82Å; F516-L520 HydrophobicContact CD1-CG 4.47Å; F516-L520 HydrophobicContact CD2-CG 4.48Å; F516-L520 HydrophobicContact CE1-CD1 3.22Å; F516-L520 HydrophobicContact CE1-CG 4.11Å; F516-L520 HydrophobicContact CE2-CD1 4Å; F516-L520 HydrophobicContact CE2-CD2 4.38Å; F516-L520 HydrophobicContact CE2-CG 4.05Å; F516-L520 HydrophobicContact CZ-CD1 3.35Å; F516-L520 HydrophobicContact CZ-CD2 4.29Å; F516-L520 HydrophobicContact CZ-CG 3.9Å; F516-L520 PolarHBondContact O-N 2.98Å; F516-G527 VanDerWaalsContact CE2-O 3.25Å; F516-G527 WeakPolarHBondContact CE2-O 3.44Å; F516-F530 HydrophobicContact CB-CD1 4.28Å; F516-F530 HydrophobicContact CB-CE1 4.1Å; F516-F530 AromaticContact CD2-CD1 3.96Å; F516-F530 HydrophobicContact CD2-CD1 3.96Å; F516-A531 HydrophobicContact CD2-CB 4.1Å; F516-A531 HydrophobicContact CE2-CB 3.54Å; F516-A531 HydrophobicContact CZ-CB 4.29Å; F516-M573 HydrophobicContact CB-CE 4.48Å; F516-M573 HydrophobicContact CD2-CE 4.43Å; F516-M573 HydrophobicContact CD2-SD 3.94Å; F516-M573 HydrophobicContact CE2-SD 4.15Å; F516-M573 HydrophobicContact CG-SD 4.15Å; F516-M573 HydrophobicContact CZ-SD 4.49Å; F516-M576 HydrophobicContact CB-CE 4.03Å; F516-M576 HydrophobicContact CB-SD 4.2Å; F516-M576 HydrophobicContact CD1-CB 3.93Å; F516-M576 HydrophobicContact CD1-CE 3.33Å; F516-M576 HydrophobicContact CD1-SD 3.83Å; F516-M576 HydrophobicContact CE1-CB 3.66Å; F516-M576 HydrophobicContact CE1-CE 4.13Å; F516-M576 HydrophobicContact CG-CE 4.07Å; F516-M576 HydrophobicContact CG-SD 4.23Å; F516-M576 HydrophobicContact CZ-CB 4.41Å; F516-L577 HydrophobicContact CE2-CD2 4.29Å; F516-L577 HydrophobicContact CZ-CD2 3.94Å; F516-L577 HydrophobicContact CZ-CG 4.32Å
517	I	94.2	Very high	93.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.5	-39.2	-177.6	-57.5	-174.1	0	0	0	110.4	C409 C412 M413 L416 W429 A513 I515 L519 L520 V521 M576	C409-I517 HydrophobicContact CB-CD1 4.34Å; C412-I517 HydrophobicContact CB-CD1 3.64Å; M413-I517 HydrophobicContact SD-CG2 3.87Å; L416-I517 HydrophobicContact CD2-CG2 3.71Å; W429-I517 HydrophobicContact CH2-CB 4.22Å; W429-I517 HydrophobicContact CH2-CD1 3.88Å; W429-I517 HydrophobicContact CH2-CG1 4.36Å; W429-I517 HydrophobicContact CZ2-CB 4.02Å; W429-I517 HydrophobicContact CZ2-CD1 4.44Å; W429-I517 HydrophobicContact CZ2-CG2 4.4Å; A513-I517 WeakPolarHBondContact O-CB 3.47Å; A513-I517 VanDerWaalsContact O-CG1 3.32Å; A513-I517 WeakPolarHBondContact O-CG1 3.38Å; A513-I517 PolarHBondContact O-N 3.28Å; I515-I517 PolarHBondContact O-N 3.47Å; I517-L519 VanDerWaalsContact C-N 3.32Å; I517-L519 PolarHBondContact O-N 3.3Å; I517-L520 PolarHBondContact O-N 2.92Å; I517-V521 HydrophobicContact CG2-CG2 4.44Å; I517-V521 WeakPolarHBondContact O-CG2 3.34Å; I517-V521 PolarHBondContact O-N 3.26Å; I517-M576 HydrophobicContact CD1-CE 4.12Å; I517-M576 HydrophobicContact CG1-CE 3.74Å
518	T	92.5	Very high	93.6	Very high	59 Å²	59	51.6 Å²	51.6	36%	0.362	25%	0.251	S	S	.	.	H	α-helix	trans	-63.3	-39.8	176	-55.7	0	0	0	0	111.2	P514 I515 V521 W522	P514-T518 WeakPolarHBondContact O-CB 3.32Å; P514-T518 PolarHBondContact O-N 2.87Å; P514-T518 VanDerWaalsContact O-N 3.09Å; P514-T518 PolarHBondContact O-OG1 3.1Å; I515-T518 PolarHBondContact O-N 3.19Å; T518-V521 PolarHBondContact O-N 2.88Å; T518-W522 WeakPolarHBondContact O-CB 3.45Å; T518-W522 PolarHBondContact O-N 2.72Å
519	L	93.8	Very high	93.6	Very high	42 Å²	42	56.3 Å²	56.3	22%	0.22	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-44.3	173.7	-72.8	173.8	0	0	0	111.9	I515 F516 I517 V521 W522 K523 F530	I515-L519 HydrophobicContact CG2-CD1 3.91Å; I515-L519 HydrophobicContact CG2-CG 4.48Å; I515-L519 WeakPolarHBondContact O-CB 3.33Å; I515-L519 VanDerWaalsContact O-CG 3.25Å; I515-L519 WeakPolarHBondContact O-CG 3.32Å; I515-L519 PolarHBondContact O-N 3.47Å; F516-L519 PolarHBondContact O-N 3.41Å; I517-L519 VanDerWaalsContact C-N 3.32Å; I517-L519 PolarHBondContact O-N 3.3Å; L519-V521 PolarHBondContact O-N 3.44Å; L519-W522 HydrophobicContact CD2-CE3 4.32Å; L519-W522 PolarHBondContact O-N 3.24Å; L519-K523 CarbonylContact O-C 3.31Å; L519-K523 PolarHBondContact O-N 3.45Å; L519-F530 HydrophobicContact CD1-CB 3.88Å; L519-F530 HydrophobicContact CD1-CD1 4.24Å; L519-F530 HydrophobicContact CD1-CD2 3.69Å; L519-F530 HydrophobicContact CD1-CE2 4.25Å; L519-F530 HydrophobicContact CD1-CG 3.67Å
520	L	93	Very high	93.8	Very high	5 Å²	5	58 Å²	58	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-41.8	177.1	-79.5	177	0	0	0	113	M413 F516 I517 W522 W580	M413-L520 HydrophobicContact CE-CB 4.37Å; F516-L520 HydrophobicContact CD1-CD1 3.82Å; F516-L520 HydrophobicContact CD1-CG 4.47Å; F516-L520 HydrophobicContact CD2-CG 4.48Å; F516-L520 HydrophobicContact CE1-CD1 3.22Å; F516-L520 HydrophobicContact CE1-CG 4.11Å; F516-L520 HydrophobicContact CE2-CD1 4Å; F516-L520 HydrophobicContact CE2-CD2 4.38Å; F516-L520 HydrophobicContact CE2-CG 4.05Å; F516-L520 HydrophobicContact CZ-CD1 3.35Å; F516-L520 HydrophobicContact CZ-CD2 4.29Å; F516-L520 HydrophobicContact CZ-CG 3.9Å; F516-L520 PolarHBondContact O-N 2.98Å; I517-L520 PolarHBondContact O-N 2.92Å; L520-W522 VanDerWaalsContact C-N 3.3Å; L520-W580 HydrophobicContact CD1-CB 3.88Å; L520-W580 HydrophobicContact CD1-CD2 4.46Å; L520-W580 HydrophobicContact CD1-CG 3.68Å; L520-W580 HydrophobicContact CD2-CD2 4.27Å; L520-W580 HydrophobicContact CD2-CG 4.28Å
521	V	89.5	Confident	93.9	Very high	52 Å²	52	55.5 Å²	55.5	32%	0.315	27%	0.269	S	S	.	.	H	α-helix	trans	-64.6	-37.4	176.1	171.3	0	0	0	0	110.7	M413 L416 T417 I517 T518 L519	M413-V521 HydrophobicContact CE-CG2 3.64Å; M413-V521 HydrophobicContact SD-CG2 3.69Å; L416-V521 HydrophobicContact CD2-CG2 4.05Å; L416-V521 HydrophobicContact CG-CG2 4.36Å; T417-V521 HydrophobicContact CG2-CG2 4.26Å; I517-V521 HydrophobicContact CG2-CG2 4.44Å; I517-V521 WeakPolarHBondContact O-CG2 3.34Å; I517-V521 PolarHBondContact O-N 3.26Å; T518-V521 PolarHBondContact O-N 2.88Å; L519-V521 PolarHBondContact O-N 3.44Å
522	W	89.2	Confident	94	Very high	177 Å²	177	54.3 Å²	54.3	67%	0.67	26%	0.263	S	S	*	.	H	α-helix	trans	-72.7	-57.3	178	-178.6	47.6	0	0	0	112.8	T518 L519 L520	T518-W522 WeakPolarHBondContact O-CB 3.45Å; T518-W522 PolarHBondContact O-N 2.72Å; L519-W522 HydrophobicContact CD2-CE3 4.32Å; L519-W522 PolarHBondContact O-N 3.24Å; L520-W522 VanDerWaalsContact C-N 3.3Å
523	K	90.9	Very high	94.1	Very high	120 Å²	120	56.9 Å²	56.9	52%	0.522	28%	0.281	S	S	.	.			trans	-147.3	123.9	176	-69.3	-171.7	179.2	-177.8	0	110.6	L519 I525 T526 G527	L519-K523 CarbonylContact O-C 3.31Å; L519-K523 PolarHBondContact O-N 3.45Å; K523-I525 PolarHBondContact O-N 2.93Å; K523-T526 HydrophobicContact CB-CG2 3.96Å; K523-T526 WeakPolarHBondContact CB-OG1 3.25Å; K523-T526 HydrophobicContact CD-CG2 4.38Å; K523-T526 PolarHBondContact O-N 3.21Å; K523-T526 PolarHBondContact O-OG1 2.97Å; K523-G527 PolarHBondContact O-N 3.47Å
524	R	92.8	Very high	94	Very high	130 Å²	130	60 Å²	60	49%	0.491	30%	0.295	S	S	.	.	H	α-helix	trans	-53.9	-48.4	-178.5	-59.8	175.3	-176.1	-151.8	-11.4	113	T526 G527 I528 E584	R524-T526 VanDerWaalsContact C-N 3.35Å; R524-T526 PolarHBondContact O-N 3.02Å; R524-G527 PolarHBondContact O-N 3.37Å; R524-I528 WeakPolarHBondContact O-CG1 3.44Å; R524-I528 PolarHBondContact O-N 3.49Å; R524-E584 IonicContact CZ-OE1 3.97Å; R524-E584 IonicContact CZ-OE2 2.91Å; R524-E584 IonicContact NH1-OE1 2.69Å; R524-E584 PolarHBondContact NH1-OE1 3.2Å; R524-E584 IonicContact NH2-OE1 3.37Å; R524-E584 PolarHBondContact NH2-OE1 3.27Å; R524-E584 IonicContact NH2-OE2 3.89Å
525	I	94.4	Very high	94	Very high	125 Å²	125	60 Å²	60	64%	0.641	29%	0.294	S	S	*	.	H	α-helix	trans	-63.6	-39.7	-177	-66.2	163.7	0	0	0	111.3	K523 G527 I528 L529	K523-I525 PolarHBondContact O-N 2.93Å; I525-G527 PolarHBondContact O-N 3.13Å; I525-I528 PolarHBondContact O-N 3.06Å; I525-L529 HydrophobicContact CG2-CD1 3.72Å; I525-L529 HydrophobicContact CG2-CG 4.1Å; I525-L529 WeakPolarHBondContact O-CB 3.35Å; I525-L529 VanDerWaalsContact O-CG 3.27Å; I525-L529 WeakPolarHBondContact O-CG 3.45Å; I525-L529 PolarHBondContact O-N 2.75Å
526	T	94.8	Very high	94.1	Very high	43 Å²	43	61.3 Å²	61.3	26%	0.264	30%	0.301	S	S	.	.	H	α-helix	trans	-67.5	-39.2	-179.3	60	0	0	0	0	111.1	K523 R524 F530	K523-T526 HydrophobicContact CB-CG2 3.96Å; K523-T526 WeakPolarHBondContact CB-OG1 3.25Å; K523-T526 HydrophobicContact CD-CG2 4.38Å; K523-T526 PolarHBondContact O-N 3.21Å; K523-T526 PolarHBondContact O-OG1 2.97Å; R524-T526 VanDerWaalsContact C-N 3.35Å; R524-T526 PolarHBondContact O-N 3.02Å; T526-F530 VanDerWaalsContact O-CB 3.23Å; T526-F530 WeakPolarHBondContact O-CB 3.35Å; T526-F530 PolarHBondContact O-N 3.37Å
527	G	94.6	Very high	94.1	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.9	-46.6	172.7	0	0	0	0	0	112.7	F516 K523 R524 I525 F530 A531	F516-G527 VanDerWaalsContact CE2-O 3.25Å; F516-G527 WeakPolarHBondContact CE2-O 3.44Å; K523-G527 PolarHBondContact O-N 3.47Å; R524-G527 PolarHBondContact O-N 3.37Å; I525-G527 PolarHBondContact O-N 3.13Å; G527-F530 WeakPolarHBondContact O-CB 3.5Å; G527-F530 PolarHBondContact O-N 3.02Å; G527-A531 PolarHBondContact O-N 3.4Å
528	I	95.6	Very high	94.2	Very high	50 Å²	50	65.2 Å²	65.2	26%	0.256	32%	0.322	S	S	.	.	H	α-helix	trans	-63.3	-46.7	178.8	-64.5	164.8	0	0	0	111.3	R524 I525 F530 A531 I532 W580	R524-I528 WeakPolarHBondContact O-CG1 3.44Å; R524-I528 PolarHBondContact O-N 3.49Å; I525-I528 PolarHBondContact O-N 3.06Å; I528-F530 VanDerWaalsContact C-N 3.3Å; I528-F530 PolarHBondContact O-N 2.85Å; I528-A531 PolarHBondContact O-N 2.9Å; I528-I532 HydrophobicContact CG2-CD1 3.79Å; I528-I532 HydrophobicContact CG2-CG1 4.42Å; I528-I532 WeakPolarHBondContact O-CG1 3.49Å; I528-I532 PolarHBondContact O-N 2.87Å; I528-W580 HydrophobicContact CD1-CH2 3.55Å; I528-W580 HydrophobicContact CD1-CZ2 4.22Å; I528-W580 HydrophobicContact CD1-CZ3 3.94Å; I528-W580 HydrophobicContact CG1-CH2 4.11Å; I528-W580 HydrophobicContact CG1-CZ3 4.09Å
529	L	96.5	Very high	94.3	Very high	108 Å²	108	62.7 Å²	62.7	57%	0.565	31%	0.307	S	S	*	.	H	α-helix	trans	-61.2	-40.2	177	-71.7	175.7	0	0	0	111.5	I525 S533	I525-L529 HydrophobicContact CG2-CD1 3.72Å; I525-L529 HydrophobicContact CG2-CG 4.1Å; I525-L529 WeakPolarHBondContact O-CB 3.35Å; I525-L529 VanDerWaalsContact O-CG 3.27Å; I525-L529 WeakPolarHBondContact O-CG 3.45Å; I525-L529 PolarHBondContact O-N 2.75Å; L529-S533 WeakPolarHBondContact O-CB 3.34Å; L529-S533 PolarHBondContact O-N 3.46Å
530	F	96.1	Very high	94.4	Very high	37 Å²	37	64.9 Å²	64.9	16%	0.162	32%	0.318	C	S	.	.	H	α-helix	trans	-60.1	-47.4	174.2	175.5	-88.9	0	0	0	111.6	L512 I515 F516 L519 T526 G527 I528 S533 F534 M573	L512-F530 HydrophobicContact CD1-CE1 3.86Å; L512-F530 HydrophobicContact CD1-CZ 4.03Å; I515-F530 HydrophobicContact CB-CZ 4.31Å; I515-F530 HydrophobicContact CG2-CE1 4.18Å; I515-F530 HydrophobicContact CG2-CE2 3.71Å; I515-F530 HydrophobicContact CG2-CZ 3.52Å; F516-F530 HydrophobicContact CB-CD1 4.28Å; F516-F530 HydrophobicContact CB-CE1 4.1Å; F516-F530 AromaticContact CD2-CD1 3.96Å; F516-F530 HydrophobicContact CD2-CD1 3.96Å; L519-F530 HydrophobicContact CD1-CB 3.88Å; L519-F530 HydrophobicContact CD1-CD1 4.24Å; L519-F530 HydrophobicContact CD1-CD2 3.69Å; L519-F530 HydrophobicContact CD1-CE2 4.25Å; L519-F530 HydrophobicContact CD1-CG 3.67Å; T526-F530 VanDerWaalsContact O-CB 3.23Å; T526-F530 WeakPolarHBondContact O-CB 3.35Å; T526-F530 PolarHBondContact O-N 3.37Å; G527-F530 WeakPolarHBondContact O-CB 3.5Å; G527-F530 PolarHBondContact O-N 3.02Å; I528-F530 VanDerWaalsContact C-N 3.3Å; I528-F530 PolarHBondContact O-N 2.85Å; F530-S533 PolarHBondContact O-N 3.22Å; F530-F534 HydrophobicContact CD1-CD2 4.21Å; F530-F534 AromaticContact CD2-CD2 3.9Å; F530-F534 HydrophobicContact CD2-CD2 3.9Å; F530-F534 AromaticContact CD2-CE2 3.75Å; F530-F534 HydrophobicContact CD2-CE2 3.75Å; F530-F534 AromaticContact CE1-CD2 3.93Å; F530-F534 HydrophobicContact CE1-CD2 3.93Å; F530-F534 HydrophobicContact CE1-CE2 4.15Å; F530-F534 HydrophobicContact CE1-CG 4.38Å; F530-F534 AromaticContact CE2-CD2 3.59Å; F530-F534 HydrophobicContact CE2-CD2 3.59Å; F530-F534 AromaticContact CE2-CE2 3.1Å; F530-F534 HydrophobicContact CE2-CE2 3.1Å; F530-F534 AromaticContact CE2-CZ 3.86Å; F530-F534 HydrophobicContact CE2-CZ 3.86Å; F530-F534 HydrophobicContact CG-CD2 4.21Å; F530-F534 HydrophobicContact CG-CE2 4.49Å; F530-F534 AromaticContact CZ-CD2 3.59Å; F530-F534 HydrophobicContact CZ-CD2 3.59Å; F530-F534 HydrophobicContact CZ-CE1 4.45Å; F530-F534 AromaticContact CZ-CE2 3.34Å; F530-F534 HydrophobicContact CZ-CE2 3.34Å; F530-F534 HydrophobicContact CZ-CG 4.27Å; F530-F534 AromaticContact CZ-CZ 3.81Å; F530-F534 HydrophobicContact CZ-CZ 3.81Å; F530-F534 WeakPolarHBondContact O-CD2 3.37Å; F530-F534 PolarHBondContact O-N 2.86Å; F530-M573 HydrophobicContact CD1-CE 4.07Å; F530-M573 HydrophobicContact CE1-CE 3.72Å
531	A	95.9	Very high	94.5	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.8	-47.1	178.7	0	0	0	0	0	112.9	F516 G527 I528 S533 F534 I535 M573 L577	F516-A531 HydrophobicContact CD2-CB 4.1Å; F516-A531 HydrophobicContact CE2-CB 3.54Å; F516-A531 HydrophobicContact CZ-CB 4.29Å; G527-A531 PolarHBondContact O-N 3.4Å; I528-A531 PolarHBondContact O-N 2.9Å; A531-S533 VanDerWaalsContact C-N 3.32Å; A531-S533 PolarHBondContact O-N 3.25Å; A531-F534 PolarHBondContact O-N 3.44Å; A531-I535 WeakPolarHBondContact O-CD1 3.15Å; A531-I535 VanDerWaalsContact O-CG1 3.26Å; A531-I535 WeakPolarHBondContact O-CG1 3.23Å; A531-I535 PolarHBondContact O-N 3.49Å; A531-M573 HydrophobicContact CB-CE 4.45Å; A531-M573 HydrophobicContact CB-CG 3.61Å; A531-M573 HydrophobicContact CB-SD 3.47Å; A531-M573 WeakPolarHBondContact CB-SD 3.28Å; A531-L577 HydrophobicContact CB-CD1 3.79Å; A531-L577 HydrophobicContact CB-CD2 3.74Å; A531-L577 HydrophobicContact CB-CG 3.76Å
532	I	95.9	Very high	94.8	Very high	83 Å²	83	64.9 Å²	64.9	43%	0.426	32%	0.316	S	S	.	.	H	α-helix	trans	-60.9	-44.9	177.4	-66.3	170.9	0	0	0	109.9	I528 F534 I535 L536	I528-I532 HydrophobicContact CG2-CD1 3.79Å; I528-I532 HydrophobicContact CG2-CG1 4.42Å; I528-I532 WeakPolarHBondContact O-CG1 3.49Å; I528-I532 PolarHBondContact O-N 2.87Å; I532-F534 PolarHBondContact O-N 3.46Å; I532-I535 PolarHBondContact O-N 3.31Å; I532-L536 HydrophobicContact CG2-CD1 3.89Å; I532-L536 HydrophobicContact CG2-CG 4.39Å; I532-L536 WeakPolarHBondContact O-CB 3.39Å; I532-L536 VanDerWaalsContact O-CG 3.29Å; I532-L536 WeakPolarHBondContact O-CG 3.3Å; I532-L536 PolarHBondContact O-N 2.95Å
533	S	95.4	Very high	95	Very high	67 Å²	67	59.3 Å²	59.3	47%	0.469	30%	0.295	S	S	.	.	H	α-helix	trans	-58.9	-45.2	177.1	179.5	0	0	0	0	112	L529 F530 A531 L536 L537	L529-S533 WeakPolarHBondContact O-CB 3.34Å; L529-S533 PolarHBondContact O-N 3.46Å; F530-S533 PolarHBondContact O-N 3.22Å; A531-S533 VanDerWaalsContact C-N 3.32Å; A531-S533 PolarHBondContact O-N 3.25Å; S533-L536 PolarHBondContact O-N 2.72Å; S533-L537 VanDerWaalsContact O-CB 3.24Å; S533-L537 WeakPolarHBondContact O-CB 3.31Å; S533-L537 PolarHBondContact O-N 3.35Å
534	F	93.7	Very high	95.2	Very high	67 Å²	67	58.6 Å²	58.6	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-69.4	-36.9	179	-95.5	-100.6	0	0	0	113.4	L512 F530 A531 I532 L537 S538 M573	L512-F534 HydrophobicContact CD1-CD1 4.12Å; L512-F534 HydrophobicContact CD1-CE1 4.3Å; F530-F534 HydrophobicContact CD1-CD2 4.21Å; F530-F534 AromaticContact CD2-CD2 3.9Å; F530-F534 HydrophobicContact CD2-CD2 3.9Å; F530-F534 AromaticContact CD2-CE2 3.75Å; F530-F534 HydrophobicContact CD2-CE2 3.75Å; F530-F534 AromaticContact CE1-CD2 3.93Å; F530-F534 HydrophobicContact CE1-CD2 3.93Å; F530-F534 HydrophobicContact CE1-CE2 4.15Å; F530-F534 HydrophobicContact CE1-CG 4.38Å; F530-F534 AromaticContact CE2-CD2 3.59Å; F530-F534 HydrophobicContact CE2-CD2 3.59Å; F530-F534 AromaticContact CE2-CE2 3.1Å; F530-F534 HydrophobicContact CE2-CE2 3.1Å; F530-F534 AromaticContact CE2-CZ 3.86Å; F530-F534 HydrophobicContact CE2-CZ 3.86Å; F530-F534 HydrophobicContact CG-CD2 4.21Å; F530-F534 HydrophobicContact CG-CE2 4.49Å; F530-F534 AromaticContact CZ-CD2 3.59Å; F530-F534 HydrophobicContact CZ-CD2 3.59Å; F530-F534 HydrophobicContact CZ-CE1 4.45Å; F530-F534 AromaticContact CZ-CE2 3.34Å; F530-F534 HydrophobicContact CZ-CE2 3.34Å; F530-F534 HydrophobicContact CZ-CG 4.27Å; F530-F534 AromaticContact CZ-CZ 3.81Å; F530-F534 HydrophobicContact CZ-CZ 3.81Å; F530-F534 WeakPolarHBondContact O-CD2 3.37Å; F530-F534 PolarHBondContact O-N 2.86Å; A531-F534 PolarHBondContact O-N 3.44Å; I532-F534 PolarHBondContact O-N 3.46Å; F534-L537 PolarHBondContact O-N 3.44Å; F534-S538 VanDerWaalsContact O-CB 3.29Å; F534-S538 WeakPolarHBondContact O-CB 3.49Å; F534-S538 PolarHBondContact O-N 3.25Å; F534-M573 HydrophobicContact CB-CE 4.22Å
535	I	96.2	Very high	95.2	Very high	21 Å²	21	53.7 Å²	53.7	11%	0.108	28%	0.277	C	S	.	.	H	α-helix	trans	-63.2	-45.8	174.4	-68.3	162.8	0	0	0	110.1	A531 I532 S538 S539 M573 I574 L577 V644	A531-I535 WeakPolarHBondContact O-CD1 3.15Å; A531-I535 VanDerWaalsContact O-CG1 3.26Å; A531-I535 WeakPolarHBondContact O-CG1 3.23Å; A531-I535 PolarHBondContact O-N 3.49Å; I532-I535 PolarHBondContact O-N 3.31Å; I535-S538 PolarHBondContact O-N 2.87Å; I535-S539 PolarHBondContact O-N 3.18Å; I535-S539 VanDerWaalsContact O-N 3.09Å; I535-S539 PolarHBondContact O-OG 2.96Å; I535-M573 HydrophobicContact CD1-CB 4.19Å; I535-M573 HydrophobicContact CD1-CG 3.87Å; I535-M573 HydrophobicContact CG1-CB 3.81Å; I535-M573 HydrophobicContact CG1-CG 3.77Å; I535-I574 HydrophobicContact CD1-CG1 3.81Å; I535-I574 HydrophobicContact CG1-CG1 4.4Å; I535-L577 HydrophobicContact CD1-CD1 3.86Å; I535-V644 HydrophobicContact CG2-CG1 4.2Å; I535-V644 HydrophobicContact CG2-CG2 4.27Å
536	L	95.8	Very high	95.1	Very high	102 Å²	102	47.8 Å²	47.8	53%	0.534	25%	0.246	S	C	.	.	H	α-helix	trans	-65.1	-43.3	177.2	-69.4	174.9	0	0	0	111.5	I532 S533 S538 S539 L540	I532-L536 HydrophobicContact CG2-CD1 3.89Å; I532-L536 HydrophobicContact CG2-CG 4.39Å; I532-L536 WeakPolarHBondContact O-CB 3.39Å; I532-L536 VanDerWaalsContact O-CG 3.29Å; I532-L536 WeakPolarHBondContact O-CG 3.3Å; I532-L536 PolarHBondContact O-N 2.95Å; S533-L536 PolarHBondContact O-N 2.72Å; L536-S538 PolarHBondContact O-N 3.45Å; L536-S539 PolarHBondContact O-N 3.21Å; L536-L540 VanDerWaalsContact O-CB 3.24Å; L536-L540 WeakPolarHBondContact O-CB 3.49Å; L536-L540 PolarHBondContact O-N 3.04Å
537	L	95.7	Very high	95	Very high	79 Å²	79	50 Å²	50	41%	0.414	25%	0.25	S	S	.	.	H	α-helix	trans	-61.2	-44.3	177.7	-178.3	61.5	0	0	0	111.6	S533 F534 S539 L540 I541	S533-L537 VanDerWaalsContact O-CB 3.24Å; S533-L537 WeakPolarHBondContact O-CB 3.31Å; S533-L537 PolarHBondContact O-N 3.35Å; F534-L537 PolarHBondContact O-N 3.44Å; L537-S539 VanDerWaalsContact C-N 3.34Å; L537-S539 PolarHBondContact O-N 3Å; L537-L540 PolarHBondContact O-N 3.12Å; L537-I541 HydrophobicContact CD1-CD1 4.08Å; L537-I541 HydrophobicContact CD1-CG1 4.26Å; L537-I541 HydrophobicContact CG-CD1 3.94Å; L537-I541 VanDerWaalsContact O-CG1 3.28Å; L537-I541 WeakPolarHBondContact O-CG1 3.42Å; L537-I541 PolarHBondContact O-N 2.67Å
538	S	95.5	Very high	94.8	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-60.5	-43.5	176.9	-168.3	0	0	0	0	112.1	F534 I535 L536 T542 Y566 T567 C569	F534-S538 VanDerWaalsContact O-CB 3.29Å; F534-S538 WeakPolarHBondContact O-CB 3.49Å; F534-S538 PolarHBondContact O-N 3.25Å; I535-S538 PolarHBondContact O-N 2.87Å; L536-S538 PolarHBondContact O-N 3.45Å; S538-T542 PolarHBondContact O-N 3.3Å; S538-T542 VanDerWaalsContact O-N 3.15Å; S538-T542 PolarHBondContact O-OG1 2.6Å; S538-Y566 WeakPolarHBondContact CA-O 3.43Å; S538-Y566 WeakPolarHBondContact CB-O 3.34Å; S538-Y566 PolarHBondContact OG-O 3.21Å; S538-T567 PolarHBondContact OG-O 2.89Å; S538-C569 VanDerWaalsContact CB-SG 3.59Å; S538-C569 PolarHBondContact OG-SG 2.9Å
539	S	95.8	Very high	94.5	Very high	6 Å²	6	58.3 Å²	58.3	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-66.5	-41.5	176.5	-50.7	0	0	0	0	111.4	I535 L536 L537 T542 Y543 A640	I535-S539 PolarHBondContact O-N 3.18Å; I535-S539 VanDerWaalsContact O-N 3.09Å; I535-S539 PolarHBondContact O-OG 2.96Å; L536-S539 PolarHBondContact O-N 3.21Å; L537-S539 VanDerWaalsContact C-N 3.34Å; L537-S539 PolarHBondContact O-N 3Å; S539-T542 WeakPolarHBondContact O-CB 3.08Å; S539-T542 PolarHBondContact O-N 2.92Å; S539-Y543 PolarHBondContact O-N 3.47Å; S539-A640 VanDerWaalsContact O-CB 3.28Å; S539-A640 WeakPolarHBondContact O-CB 3.41Å
540	L	95.9	Very high	93.9	Very high	87 Å²	87	55.8 Å²	55.8	46%	0.455	28%	0.282	S	S	.	.	H	α-helix	trans	-66.8	-43.7	-179.2	-173.2	63.5	0	0	0	112.1	L536 L537 T542 Y543 F544	L536-L540 VanDerWaalsContact O-CB 3.24Å; L536-L540 WeakPolarHBondContact O-CB 3.49Å; L536-L540 PolarHBondContact O-N 3.04Å; L537-L540 PolarHBondContact O-N 3.12Å; L540-T542 VanDerWaalsContact C-N 3.3Å; L540-T542 PolarHBondContact O-N 3.16Å; L540-Y543 WeakPolarHBondContact O-CB 3.44Å; L540-Y543 PolarHBondContact O-N 3.11Å; L540-F544 HydrophobicContact CD1-CD2 3.85Å; L540-F544 HydrophobicContact CD1-CE2 3.32Å; L540-F544 HydrophobicContact CD1-CZ 4.1Å; L540-F544 HydrophobicContact CD2-CE2 4.06Å; L540-F544 HydrophobicContact CG-CD2 3.77Å; L540-F544 HydrophobicContact CG-CE2 3.5Å; L540-F544 VanDerWaalsContact CG-CE2 3.5Å; L540-F544 WeakPolarHBondContact O-CD2 3.47Å; L540-F544 PolarHBondContact O-N 3.17Å
541	I	95.2	Very high	93.5	Very high	54 Å²	54	55 Å²	55	28%	0.277	28%	0.279	S	S	.	.	H	α-helix	trans	-59.7	-46	174.3	-67.1	164.9	0	0	0	109.6	L537 Y543 F544 T545 Y566 T567	L537-I541 HydrophobicContact CD1-CD1 4.08Å; L537-I541 HydrophobicContact CD1-CG1 4.26Å; L537-I541 HydrophobicContact CG-CD1 3.94Å; L537-I541 VanDerWaalsContact O-CG1 3.28Å; L537-I541 WeakPolarHBondContact O-CG1 3.42Å; L537-I541 PolarHBondContact O-N 2.67Å; I541-Y543 VanDerWaalsContact C-N 3.33Å; I541-Y543 PolarHBondContact O-N 3.1Å; I541-F544 PolarHBondContact O-N 2.76Å; I541-T545 WeakPolarHBondContact O-CB 3.31Å; I541-T545 PolarHBondContact O-N 3.06Å; I541-T545 PolarHBondContact O-OG1 3.2Å; I541-T545 VanDerWaalsContact O-OG1 3.09Å; I541-Y566 HydrophobicContact CG2-CD2 3.65Å; I541-Y566 HydrophobicContact CG2-CE2 3.88Å; I541-T567 HydrophobicContact CG2-CG2 4.33Å
542	T	94.2	Very high	92.8	Very high	4 Å²	4	61.4 Å²	61.4	3%	0.025	31%	0.309	C	S	.	.	H	α-helix	trans	-59.2	-43.7	177.8	-56	0	0	0	0	111.9	S538 S539 L540 A546 I561 T567 L639	S538-T542 PolarHBondContact O-N 3.3Å; S538-T542 VanDerWaalsContact O-N 3.15Å; S538-T542 PolarHBondContact O-OG1 2.6Å; S539-T542 WeakPolarHBondContact O-CB 3.08Å; S539-T542 PolarHBondContact O-N 2.92Å; L540-T542 VanDerWaalsContact C-N 3.3Å; L540-T542 PolarHBondContact O-N 3.16Å; T542-A546 VanDerWaalsContact O-CB 3.29Å; T542-A546 WeakPolarHBondContact O-CB 3.41Å; T542-A546 PolarHBondContact O-N 3.1Å; T542-I561 HydrophobicContact CG2-CD1 4.26Å; T542-I561 HydrophobicContact CG2-CG1 4.48Å; T542-I561 HydrophobicContact CG2-CG2 3.8Å; T542-T567 WeakPolarHBondContact OG1-CB 3.3Å; T542-T567 PolarHBondContact OG1-O 3.18Å; T542-L639 HydrophobicContact CG2-CB 4.46Å; T542-L639 WeakPolarHBondContact CG2-O 3.42Å
543	Y	95.1	Very high	91.9	Very high	60 Å²	60	57.7 Å²	57.7	24%	0.235	29%	0.29	C	S	.	.	H	α-helix	trans	-58.7	-50.5	175.5	179.7	-91.9	0	0	0	112	S539 L540 I541 A546 Y547 A636 A637	S539-Y543 PolarHBondContact O-N 3.47Å; L540-Y543 WeakPolarHBondContact O-CB 3.44Å; L540-Y543 PolarHBondContact O-N 3.11Å; I541-Y543 VanDerWaalsContact C-N 3.33Å; I541-Y543 PolarHBondContact O-N 3.1Å; Y543-A546 PolarHBondContact O-N 3.14Å; Y543-Y547 WeakPolarHBondContact O-CB 2.95Å; Y543-Y547 PolarHBondContact O-N 3.35Å; Y543-A636 VanDerWaalsContact CD2-C 3.49Å; Y543-A636 HydrophobicContact CD2-CB 3.7Å; Y543-A636 HydrophobicContact CE2-CB 3.68Å; Y543-A636 HydrophobicContact CG-CB 4.34Å; Y543-A637 HydrophobicContact CD2-CB 4.39Å; Y543-A637 HydrophobicContact CE2-CB 4.16Å
544	F	95.1	Very high	90.8	Very high	105 Å²	105	58 Å²	58	46%	0.461	29%	0.285	S	S	.	.	H	α-helix	trans	-68	-41.1	-177.7	-77.2	-62.2	0	0	0	112.5	L540 I541 A546 Y547 I548	L540-F544 HydrophobicContact CD1-CD2 3.85Å; L540-F544 HydrophobicContact CD1-CE2 3.32Å; L540-F544 HydrophobicContact CD1-CZ 4.1Å; L540-F544 HydrophobicContact CD2-CE2 4.06Å; L540-F544 HydrophobicContact CG-CD2 3.77Å; L540-F544 HydrophobicContact CG-CE2 3.5Å; L540-F544 VanDerWaalsContact CG-CE2 3.5Å; L540-F544 WeakPolarHBondContact O-CD2 3.47Å; L540-F544 PolarHBondContact O-N 3.17Å; I541-F544 PolarHBondContact O-N 2.76Å; F544-A546 VanDerWaalsContact C-N 3.33Å; F544-A546 PolarHBondContact O-N 3.28Å; F544-Y547 PolarHBondContact O-N 2.79Å; F544-I548 WeakPolarHBondContact O-CB 3.42Å; F544-I548 VanDerWaalsContact O-CG1 3.29Å; F544-I548 WeakPolarHBondContact O-CG1 3.37Å; F544-I548 PolarHBondContact O-N 3.1Å
545	T	92	Very high	89.8	Confident	26 Å²	26	56.8 Å²	56.8	16%	0.16	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-44.8	174.9	-62.4	0	0	0	0	110.9	I541 H549 F551 E560 I561	I541-T545 WeakPolarHBondContact O-CB 3.31Å; I541-T545 PolarHBondContact O-N 3.06Å; I541-T545 PolarHBondContact O-OG1 3.2Å; I541-T545 VanDerWaalsContact O-OG1 3.09Å; T545-H549 PolarHBondContact O-N 2.76Å; T545-H549 PolarHBondContact O-ND1 3.33Å; T545-F551 HydrophobicContact CG2-CE2 4.3Å; T545-E560 HydrophobicContact CG2-CB 4.29Å; T545-I561 HydrophobicContact CG2-CG1 4.06Å
546	A	91.3	Very high	88.6	Confident	1 Å²	1	56 Å²	56	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-43	176	0	0	0	0	0	112.6	T542 Y543 F544 S550 F551 I561 A636 L639	T542-A546 VanDerWaalsContact O-CB 3.29Å; T542-A546 WeakPolarHBondContact O-CB 3.41Å; T542-A546 PolarHBondContact O-N 3.1Å; Y543-A546 PolarHBondContact O-N 3.14Å; F544-A546 VanDerWaalsContact C-N 3.33Å; F544-A546 PolarHBondContact O-N 3.28Å; A546-S550 PolarHBondContact O-N 3.29Å; A546-S550 VanDerWaalsContact O-N 3.1Å; A546-F551 HydrophobicContact CB-CB 4.33Å; A546-F551 HydrophobicContact CB-CD2 4.4Å; A546-F551 PolarHBondContact O-N 3.5Å; A546-I561 HydrophobicContact CB-CD1 3.93Å; A546-A636 HydrophobicContact CB-CB 3.86Å; A546-L639 HydrophobicContact CB-CB 4.43Å; A546-L639 HydrophobicContact CB-CD1 3.78Å
547	Y	92.8	Very high	87.3	Confident	89 Å²	89	53.9 Å²	53.9	35%	0.349	27%	0.274	S	S	.	.	H	α-helix	trans	-66.2	-43.5	-179.5	-176.8	-99.4	0	0	0	112.6	Y543 F544 S550 K633	Y543-Y547 WeakPolarHBondContact O-CB 2.95Å; Y543-Y547 PolarHBondContact O-N 3.35Å; F544-Y547 PolarHBondContact O-N 2.79Å; Y547-S550 PolarHBondContact O-N 2.82Å; Y547-K633 HydrophobicContact CE2-CG 4.09Å
548	I	91.8	Very high	86.2	Confident	124 Å²	124	53.5 Å²	53.5	64%	0.636	27%	0.269	S	S	*	.	H	α-helix	trans	-65.4	-44.7	-179.2	-70.8	168.6	0	0	0	111	F544 S550	F544-I548 WeakPolarHBondContact O-CB 3.42Å; F544-I548 VanDerWaalsContact O-CG1 3.29Å; F544-I548 WeakPolarHBondContact O-CG1 3.37Å; F544-I548 PolarHBondContact O-N 3.1Å; I548-S550 PolarHBondContact O-N 3.02Å
549	H	87.8	Confident	85.4	Confident	101 Å²	101	55.2 Å²	55.2	47%	0.468	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	1.3	-179	-62.4	90.3	0	0	0	113.4	T545 F551	T545-H549 PolarHBondContact O-N 2.76Å; T545-H549 PolarHBondContact O-ND1 3.33Å; H549-F551 HydrophobicContact CB-CD1 3.7Å; H549-F551 HydrophobicContact CB-CD2 4.08Å; H549-F551 HydrophobicContact CB-CE1 3.39Å; H549-F551 HydrophobicContact CB-CE2 3.8Å; H549-F551 HydrophobicContact CB-CG 4.03Å; H549-F551 HydrophobicContact CB-CZ 3.44Å; H549-F551 VanDerWaalsContact CB-CZ 3.44Å; H549-F551 AromaticContact CG-CZ 3.77Å; H549-F551 PolarHBondContact O-N 2.98Å
550	S	85.8	Confident	84.7	Confident	55 Å²	55	57.4 Å²	57.4	39%	0.385	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	41.7	-175.3	-57.5	0	0	0	0	112.9	A546 Y547 I548	A546-S550 PolarHBondContact O-N 3.29Å; A546-S550 VanDerWaalsContact O-N 3.1Å; Y547-S550 PolarHBondContact O-N 2.82Å; I548-S550 PolarHBondContact O-N 3.02Å
551	F	85.9	Confident	84	Confident	21 Å²	21	53.3 Å²	53.3	9%	0.092	27%	0.267	C	S	.	.			trans	-68.9	138.2	179.3	-69.4	-27.6	0	0	0	112	T545 A546 H549 D555 K558 E560 I561 L639	T545-F551 HydrophobicContact CG2-CE2 4.3Å; A546-F551 HydrophobicContact CB-CB 4.33Å; A546-F551 HydrophobicContact CB-CD2 4.4Å; A546-F551 PolarHBondContact O-N 3.5Å; H549-F551 HydrophobicContact CB-CD1 3.7Å; H549-F551 HydrophobicContact CB-CD2 4.08Å; H549-F551 HydrophobicContact CB-CE1 3.39Å; H549-F551 HydrophobicContact CB-CE2 3.8Å; H549-F551 HydrophobicContact CB-CG 4.03Å; H549-F551 HydrophobicContact CB-CZ 3.44Å; H549-F551 VanDerWaalsContact CB-CZ 3.44Å; H549-F551 AromaticContact CG-CZ 3.77Å; H549-F551 PolarHBondContact O-N 2.98Å; F551-D555 WeakPolarHBondContact CA-OD2 3.49Å; F551-D555 HydrophobicContact CB-CB 3.84Å; F551-D555 HydrophobicContact CD1-CB 4.1Å; F551-D555 HydrophobicContact CG-CB 4.05Å; F551-K558 HydrophobicContact CD1-CG 4.42Å; F551-K558 HydrophobicContact CE1-CD 4.46Å; F551-K558 HydrophobicContact CE1-CG 4.07Å; F551-K558 HydrophobicContact CE2-CB 4.38Å; F551-K558 HydrophobicContact CZ-CB 4.18Å; F551-K558 HydrophobicContact CZ-CG 4.22Å; F551-E560 HydrophobicContact CE2-CB 4.37Å; F551-E560 HydrophobicContact CZ-CB 4.46Å; F551-I561 HydrophobicContact CD2-CD1 3.52Å; F551-I561 HydrophobicContact CD2-CG1 4.28Å; F551-I561 HydrophobicContact CE2-CD1 3.9Å; F551-I561 HydrophobicContact CE2-CG1 4.16Å; F551-L639 HydrophobicContact CB-CD1 3.98Å
552	E	82.2	Confident	83.6	Confident	134 Å²	134	52.2 Å²	52.2	63%	0.626	26%	0.259	S	S	*	.			trans	-92	173.2	174.3	-62.7	-173.6	178	0	0	111.2	M554 D555	E552-M554 PolarHBondContact O-N 2.93Å; E552-D555 PolarHBondContact N-OD2 2.79Å; E552-D555 WeakPolarHBondContact O-CB 3.46Å; E552-D555 PolarHBondContact O-N 3.27Å
553	I	77.6	Confident	83.3	Confident	5 Å²	5	52 Å²	52	3%	0.026	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-60.2	-29.3	176.8	-74.6	-179.7	0	0	0	111.9	D555 I556 I618 V622 M630 A635 Y638	I553-D555 VanDerWaalsContact C-N 3.25Å; I553-D555 PolarHBondContact O-N 3.24Å; I553-I556 VanDerWaalsContact O-CG2 3.22Å; I553-I556 WeakPolarHBondContact O-CG2 3.48Å; I553-I618 HydrophobicContact CD1-CG2 4.32Å; I553-V622 HydrophobicContact CB-CG1 4.4Å; I553-V622 HydrophobicContact CB-CG2 4.42Å; I553-V622 HydrophobicContact CD1-CG2 3.62Å; I553-V622 HydrophobicContact CG2-CB 4.38Å; I553-V622 HydrophobicContact CG2-CG2 4.3Å; I553-M630 HydrophobicContact CD1-CE 3.29Å; I553-M630 HydrophobicContact CD1-SD 3.21Å; I553-M630 WeakPolarHBondContact CD1-SD 3.44Å; I553-M630 HydrophobicContact CG1-SD 3.99Å; I553-A635 HydrophobicContact CG1-CB 4.36Å; I553-Y638 HydrophobicContact CB-CD1 4.39Å; I553-Y638 HydrophobicContact CD1-CD1 3.91Å; I553-Y638 HydrophobicContact CD1-CE1 4.48Å; I553-Y638 HydrophobicContact CD1-CG 3.96Å; I553-Y638 HydrophobicContact CG1-CD1 3.65Å; I553-Y638 HydrophobicContact CG1-CE1 4.24Å; I553-Y638 HydrophobicContact CG1-CG 4.15Å; I553-Y638 HydrophobicContact CG2-CD1 4.14Å; I553-Y638 HydrophobicContact CG2-CE1 3.82Å
554	M	72.4	Confident	83.1	Confident	75 Å²	75	52.1 Å²	52.1	37%	0.369	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-74.8	-15	178.6	-64.5	-57.7	-66.7	0	0	113.2	F391 E552 I556 L623	F391-M554 HydrophobicContact CE1-CE 3.92Å; F391-M554 HydrophobicContact CE1-SD 4.1Å; F391-M554 HydrophobicContact CE2-CE 3.89Å; F391-M554 HydrophobicContact CZ-CE 3.27Å; F391-M554 HydrophobicContact CZ-SD 3.98Å; E552-M554 PolarHBondContact O-N 2.93Å; M554-I556 PolarHBondContact O-N 3.41Å; M554-L623 HydrophobicContact CE-CD1 3.69Å; M554-L623 HydrophobicContact SD-CD1 4.08Å
555	D	72.4	Confident	82.9	Confident	41 Å²	41	48 Å²	48	22%	0.219	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-80.3	12.8	176.9	-72.3	-47.5	0	0	0	113.5	F551 E552 I553 A557 K558	F551-D555 WeakPolarHBondContact CA-OD2 3.49Å; F551-D555 HydrophobicContact CB-CB 3.84Å; F551-D555 HydrophobicContact CD1-CB 4.1Å; F551-D555 HydrophobicContact CG-CB 4.05Å; E552-D555 PolarHBondContact N-OD2 2.79Å; E552-D555 WeakPolarHBondContact O-CB 3.46Å; E552-D555 PolarHBondContact O-N 3.27Å; I553-D555 VanDerWaalsContact C-N 3.25Å; I553-D555 PolarHBondContact O-N 3.24Å; D555-A557 PolarHBondContact O-N 2.77Å; D555-K558 HydrophobicContact CB-CG 3.7Å; D555-K558 WeakPolarHBondContact O-CB 3.28Å; D555-K558 WeakPolarHBondContact O-CG 3.44Å; D555-K558 PolarHBondContact O-N 3.39Å; D555-K558 WeakPolarHBondContact OD1-CE 3.13Å; D555-K558 IonicContact OD1-NZ 3.76Å
556	I	70	Confident	82.8	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.026	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-50.1	-25.3	175.9	40.8	159.5	0	0	0	115	F391 H394 I553 M554 Y562 Y638 L639	F391-I556 HydrophobicContact CE1-CD1 3.69Å; F391-I556 HydrophobicContact CZ-CD1 3.9Å; H394-I556 WeakPolarHBondContact CE1-CD1 3.22Å; H394-I556 WeakPolarHBondContact ND1-CD1 3.14Å; I553-I556 VanDerWaalsContact O-CG2 3.22Å; I553-I556 WeakPolarHBondContact O-CG2 3.48Å; M554-I556 PolarHBondContact O-N 3.41Å; I556-Y562 WeakPolarHBondContact O-CD2 3.45Å; I556-Y638 HydrophobicContact CG2-CE1 4.46Å; I556-L639 HydrophobicContact CB-CD2 4.42Å; I556-L639 HydrophobicContact CG2-CD2 3.38Å
557	A	68.9	Low	82.9	Confident	57 Å²	57	52.2 Å²	52.2	47%	0.471	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-96.6	-0.1	-178.2	0	0	0	0	0	113.9	D555 D559	D555-A557 PolarHBondContact O-N 2.77Å; A557-D559 PolarHBondContact O-N 3.35Å
558	K	73.1	Confident	82.8	Confident	71 Å²	71	48.1 Å²	48.1	31%	0.309	24%	0.24	S	C	.	.			trans	-61.1	132.1	178	-71.3	-70.1	-177.2	179.9	0	111.1	F551 D555 E560 I561 Y562	F551-K558 HydrophobicContact CD1-CG 4.42Å; F551-K558 HydrophobicContact CE1-CD 4.46Å; F551-K558 HydrophobicContact CE1-CG 4.07Å; F551-K558 HydrophobicContact CE2-CB 4.38Å; F551-K558 HydrophobicContact CZ-CB 4.18Å; F551-K558 HydrophobicContact CZ-CG 4.22Å; D555-K558 HydrophobicContact CB-CG 3.7Å; D555-K558 WeakPolarHBondContact O-CB 3.28Å; D555-K558 WeakPolarHBondContact O-CG 3.44Å; D555-K558 PolarHBondContact O-N 3.39Å; D555-K558 WeakPolarHBondContact OD1-CE 3.13Å; D555-K558 IonicContact OD1-NZ 3.76Å; K558-E560 PolarHBondContact O-N 3Å; K558-E560 VanDerWaalsContact O-N 3.08Å; K558-I561 PolarHBondContact O-N 3.39Å; K558-Y562 VanDerWaalsContact O-CB 3.26Å; K558-Y562 WeakPolarHBondContact O-CB 3.23Å; K558-Y562 PolarHBondContact O-N 3.34Å
559	D	78.8	Confident	82.9	Confident	39 Å²	39	42.7 Å²	42.7	21%	0.209	21%	0.213	C	C	.	.	H	α-helix	trans	-50	-39.1	-175.2	-59.5	-22.3	0	0	0	112.6	F491 R492 A557 I561 V563	F491-D559 HydrophobicContact CD1-CB 4.06Å; F491-D559 WeakPolarHBondContact CD1-OD1 2.87Å; F491-D559 VanDerWaalsContact CE1-OD1 3.28Å; F491-D559 WeakPolarHBondContact CE1-OD1 2.93Å; R492-D559 WeakPolarHBondContact CG-OD2 3.27Å; R492-D559 IonicContact NE-OD2 3.22Å; R492-D559 PolarHBondContact NE-OD2 3.46Å; A557-D559 PolarHBondContact O-N 3.35Å; D559-I561 VanDerWaalsContact C-N 3.25Å; D559-I561 PolarHBondContact O-N 2.84Å; D559-V563 WeakPolarHBondContact O-CB 3.24Å; D559-V563 PolarHBondContact O-N 2.94Å
560	E	79.9	Confident	83.2	Confident	52 Å²	52	38 Å²	38	24%	0.243	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-31	-177.2	-63.8	78.5	-171.1	0	0	113.1	R492 T545 F551 K558 R564	R492-E560 IonicContact NH2-OE1 2.92Å; T545-E560 HydrophobicContact CG2-CB 4.29Å; F551-E560 HydrophobicContact CE2-CB 4.37Å; F551-E560 HydrophobicContact CZ-CB 4.46Å; K558-E560 PolarHBondContact O-N 3Å; K558-E560 VanDerWaalsContact O-N 3.08Å; E560-R564 VanDerWaalsContact O-CG 3.24Å; E560-R564 WeakPolarHBondContact O-CG 2.98Å
561	I	82.7	Confident	83.7	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-106.2	-38.5	177.8	-68	-179.4	0	0	0	111.4	T542 T545 A546 F551 K558 D559 T567 L639	T542-I561 HydrophobicContact CG2-CD1 4.26Å; T542-I561 HydrophobicContact CG2-CG1 4.48Å; T542-I561 HydrophobicContact CG2-CG2 3.8Å; T545-I561 HydrophobicContact CG2-CG1 4.06Å; A546-I561 HydrophobicContact CB-CD1 3.93Å; F551-I561 HydrophobicContact CD2-CD1 3.52Å; F551-I561 HydrophobicContact CD2-CG1 4.28Å; F551-I561 HydrophobicContact CE2-CD1 3.9Å; F551-I561 HydrophobicContact CE2-CG1 4.16Å; K558-I561 PolarHBondContact O-N 3.39Å; D559-I561 VanDerWaalsContact C-N 3.25Å; D559-I561 PolarHBondContact O-N 2.84Å; I561-T567 PolarHBondContact O-OG1 3.36Å; I561-L639 HydrophobicContact CD1-CD1 4.21Å
562	Y	85.3	Confident	84.3	Confident	30 Å²	30	34.5 Å²	34.5	12%	0.118	17%	0.171	C	C	.	.	H	α-helix	trans	-75.5	-40.7	-168.2	-172.3	-104.1	0	0	0	113.1	H394 W500 I556 K558 R568	H394-Y562 HydrophobicContact CB-CE2 3.69Å; W500-Y562 AromaticContact CE2-CE1 3.62Å; W500-Y562 HydrophobicContact CH2-CE1 4.21Å; W500-Y562 HydrophobicContact CZ2-CD1 4.2Å; W500-Y562 AromaticContact CZ2-CE1 3.41Å; W500-Y562 HydrophobicContact CZ2-CE1 3.41Å; W500-Y562 VanDerWaalsContact CZ2-CE1 3.41Å; W500-Y562 AromaticContact CZ2-CZ 3.64Å; W500-Y562 AromaticContact NE1-CE1 3.72Å; I556-Y562 WeakPolarHBondContact O-CD2 3.45Å; K558-Y562 VanDerWaalsContact O-CB 3.26Å; K558-Y562 WeakPolarHBondContact O-CB 3.23Å; K558-Y562 PolarHBondContact O-N 3.34Å; Y562-R568 VanDerWaalsContact O-CD 3.23Å; Y562-R568 WeakPolarHBondContact O-CD 3.5Å; Y562-R568 PolarHBondContact O-NE 2.96Å
563	V	87.8	Confident	85	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-30.9	-167.7	171.7	0	0	0	0	112.2	N487 F491 W500 N504 D559	N487-V563 HydrophobicContact CB-CG1 3.69Å; F491-V563 HydrophobicContact CB-CG1 4.21Å; F491-V563 HydrophobicContact CD1-CG1 4.41Å; F491-V563 HydrophobicContact CD1-CG2 3.85Å; F491-V563 HydrophobicContact CD2-CB 4.32Å; F491-V563 HydrophobicContact CD2-CG1 3.46Å; F491-V563 VanDerWaalsContact CD2-CG1 3.46Å; F491-V563 HydrophobicContact CD2-CG2 3.98Å; F491-V563 HydrophobicContact CE1-CG2 3.58Å; F491-V563 HydrophobicContact CE2-CB 4.45Å; F491-V563 HydrophobicContact CE2-CG1 3.86Å; F491-V563 HydrophobicContact CE2-CG2 3.7Å; F491-V563 HydrophobicContact CG-CB 4.35Å; F491-V563 HydrophobicContact CG-CG1 3.75Å; F491-V563 HydrophobicContact CG-CG2 4.03Å; F491-V563 HydrophobicContact CZ-CG1 4.48Å; F491-V563 HydrophobicContact CZ-CG2 3.49Å; F491-V563 VanDerWaalsContact CZ-CG2 3.49Å; W500-V563 HydrophobicContact CB-CG1 3.93Å; W500-V563 HydrophobicContact CG-CG1 4.44Å; W500-V563 HydrophobicContact CG-CG2 4.43Å; N504-V563 PolarHBondContact ND2-O 2.95Å; N504-V563 PolarHBondContact OD1-O 3.23Å; D559-V563 WeakPolarHBondContact O-CB 3.24Å; D559-V563 PolarHBondContact O-N 2.94Å
564	R	90.5	Very high	85.9	Confident	62 Å²	62	28.2 Å²	28.2	23%	0.234	14%	0.141	C	C	.	.			trans	-66.5	138.3	-168	-59.9	-59.2	-173.2	171	6.4	112.1	N487 V488 E560 Y566 T567	N487-R564 PolarHBondContact O-NH1 3.47Å; V488-R564 PolarHBondContact O-NH1 2.92Å; E560-R564 VanDerWaalsContact O-CG 3.24Å; E560-R564 WeakPolarHBondContact O-CG 2.98Å; R564-Y566 VanDerWaalsContact C-N 3.33Å; R564-Y566 HydrophobicContact CB-CD1 4.32Å; R564-Y566 HydrophobicContact CB-CD2 4.37Å; R564-Y566 HydrophobicContact CB-CE1 3.85Å; R564-Y566 HydrophobicContact CB-CE2 3.91Å; R564-Y566 HydrophobicContact CG-CE1 4.26Å; R564-Y566 HydrophobicContact CG-CE2 4.38Å; R564-Y566 PolarHBondContact O-N 3.17Å; R564-T567 HydrophobicContact CB-CG2 4.5Å; R564-T567 PolarHBondContact O-N 3.33Å; R564-T567 PolarHBondContact O-OG1 2.9Å
565	P	91.7	Very high	87.1	Confident	20 Å²	20	24.7 Å²	24.7	13%	0.13	12%	0.124	C	C	.	.	H	α-helix	trans	-67	-33.3	-175.5	22.6	-31.3	0	0	0	112.9	V488 N504 Y508 C569	V488-P565 HydrophobicContact CG2-CG 4.14Å; N504-P565 WeakPolarHBondContact OD1-CA 3.39Å; N504-P565 WeakPolarHBondContact OD1-CB 3.42Å; Y508-P565 HydrophobicContact CE1-CB 3.98Å; Y508-P565 WeakPolarHBondContact CE1-O 3.33Å; Y508-P565 WeakPolarHBondContact OH-CA 3.24Å; Y508-P565 PolarHBondContact OH-O 2.94Å; P565-C569 WeakPolarHBondContact O-CB 3.43Å; P565-C569 PolarHBondContact O-N 2.9Å; P565-C569 VanDerWaalsContact O-N 3.13Å
566	Y	91	Very high	88.3	Confident	105 Å²	105	22.7 Å²	22.7	41%	0.412	11%	0.113	S	C	.	.	H	α-helix	trans	-76	-23.3	-175.9	50.7	-102.2	0	0	0	114	S538 I541 R564	S538-Y566 WeakPolarHBondContact CA-O 3.43Å; S538-Y566 WeakPolarHBondContact CB-O 3.34Å; S538-Y566 PolarHBondContact OG-O 3.21Å; I541-Y566 HydrophobicContact CG2-CD2 3.65Å; I541-Y566 HydrophobicContact CG2-CE2 3.88Å; R564-Y566 VanDerWaalsContact C-N 3.33Å; R564-Y566 HydrophobicContact CB-CD1 4.32Å; R564-Y566 HydrophobicContact CB-CD2 4.37Å; R564-Y566 HydrophobicContact CB-CE1 3.85Å; R564-Y566 HydrophobicContact CB-CE2 3.91Å; R564-Y566 HydrophobicContact CG-CE1 4.26Å; R564-Y566 HydrophobicContact CG-CE2 4.38Å; R564-Y566 PolarHBondContact O-N 3.17Å
567	T	91.4	Very high	89.6	Confident	9 Å²	9	24 Å²	24	6%	0.055	12%	0.12	C	C	.	.	H	α-helix	trans	-84.4	-17.6	176	53.7	0	0	0	0	113	S538 I541 T542 I561 R564	S538-T567 PolarHBondContact OG-O 2.89Å; I541-T567 HydrophobicContact CG2-CG2 4.33Å; T542-T567 WeakPolarHBondContact OG1-CB 3.3Å; T542-T567 PolarHBondContact OG1-O 3.18Å; I561-T567 PolarHBondContact O-OG1 3.36Å; R564-T567 HydrophobicContact CB-CG2 4.5Å; R564-T567 PolarHBondContact O-N 3.33Å; R564-T567 PolarHBondContact O-OG1 2.9Å
568	R	91.2	Very high	90.9	Very high	3 Å²	3	21.8 Å²	21.8	1%	0.011	10%	0.1	C	C	.	.	H	α-helix	trans	-115.7	-6.8	-175.2	-79.3	-162.4	170.1	-128.4	13.7	116.1	H394 D398 Y562 G570 A571	H394-R568 PolarHBondContact O-NH2 3.46Å; H394-R568 VanDerWaalsContact O-NH2 3.14Å; D398-R568 IonicContact OD1-CZ 2.64Å; D398-R568 IonicContact OD1-NH1 2.64Å; D398-R568 PolarHBondContact OD1-NH1 3.43Å; D398-R568 IonicContact OD2-CZ 3.06Å; D398-R568 IonicContact OD2-NH1 3.41Å; D398-R568 PolarHBondContact OD2-NH1 3.23Å; Y562-R568 VanDerWaalsContact O-CD 3.23Å; Y562-R568 WeakPolarHBondContact O-CD 3.5Å; Y562-R568 PolarHBondContact O-NE 2.96Å; R568-G570 PolarHBondContact O-N 3.41Å; R568-A571 PolarHBondContact O-N 3.24Å
569	C	93.7	Very high	92	Very high	11 Å²	11	18.4 Å²	18.4	7%	0.074	9%	0.086	C	C	.	.	H	α-helix	trans	-62.6	-19.7	-176.8	63.7	0	0	0	0	113.4	Y508 L512 S538 P565 A571 Y572 M573	Y508-C569 HydrophobicContact CD1-CB 4.22Å; Y508-C569 HydrophobicContact CE1-CB 3.55Å; Y508-C569 PolarHBondContact OH-N 3.41Å; L512-C569 HydrophobicContact CD2-CB 4.29Å; S538-C569 VanDerWaalsContact CB-SG 3.59Å; S538-C569 PolarHBondContact OG-SG 2.9Å; P565-C569 WeakPolarHBondContact O-CB 3.43Å; P565-C569 PolarHBondContact O-N 2.9Å; P565-C569 VanDerWaalsContact O-N 3.13Å; C569-A571 VanDerWaalsContact C-N 3.33Å; C569-A571 PolarHBondContact O-N 3.35Å; C569-Y572 PolarHBondContact O-N 3.47Å; C569-M573 WeakPolarHBondContact O-CB 3.33Å; C569-M573 PolarHBondContact O-N 3.06Å
570	G	95.3	Very high	92.7	Very high	2 Å²	2	17.4 Å²	17.4	2%	0.021	8%	0.079	C	C	.	.	H	α-helix	trans	-55	-42.4	174.9	0	0	0	0	0	113.7	R568 M573 I574	R568-G570 PolarHBondContact O-N 3.41Å; G570-M573 PolarHBondContact O-N 2.97Å; G570-I574 WeakPolarHBondContact O-CD1 3.45Å; G570-I574 VanDerWaalsContact O-CG1 3.27Å; G570-I574 WeakPolarHBondContact O-CG1 3.39Å; G570-I574 PolarHBondContact O-N 3.01Å
571	A	96.2	Very high	93.4	Very high	3 Å²	3	17.7 Å²	17.7	3%	0.025	8%	0.082	C	C	.	.	H	α-helix	trans	-64.5	-43.5	179.6	0	0	0	0	0	112.1	D398 F401 R568 C569 I574 G575 T647	D398-A571 HydrophobicContact CB-CB 4.09Å; F401-A571 HydrophobicContact CB-CB 4.29Å; R568-A571 PolarHBondContact O-N 3.24Å; C569-A571 VanDerWaalsContact C-N 3.33Å; C569-A571 PolarHBondContact O-N 3.35Å; A571-I574 PolarHBondContact O-N 2.81Å; A571-G575 PolarHBondContact O-N 3.37Å; A571-G575 VanDerWaalsContact O-N 3.16Å; A571-T647 HydrophobicContact CB-CG2 4.03Å; A571-T647 WeakPolarHBondContact CB-OG1 3.49Å
572	Y	97.2	Very high	93.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.2	-42.6	175.2	-173.8	-89	0	0	0	111.5	F401 Y508 T509 L512 C569 G575 M576	F401-Y572 WeakPolarHBondContact O-CD2 3.28Å; Y508-Y572 HydrophobicContact CD2-CD1 4.35Å; Y508-Y572 AromaticContact CD2-CD2 3.72Å; Y508-Y572 HydrophobicContact CD2-CD2 3.72Å; Y508-Y572 HydrophobicContact CD2-CE2 4.42Å; Y508-Y572 AromaticContact CD2-CG 3.67Å; Y508-Y572 HydrophobicContact CD2-CG 3.67Å; Y508-Y572 HydrophobicContact CG-CD1 4.22Å; Y508-Y572 HydrophobicContact CG-CD2 4.24Å; Y508-Y572 HydrophobicContact CG-CG 4.01Å; T509-Y572 PolarHBondContact OG1-OH 2.98Å; L512-Y572 HydrophobicContact CD2-CD1 3.89Å; L512-Y572 HydrophobicContact CD2-CE1 4.43Å; C569-Y572 PolarHBondContact O-N 3.47Å; Y572-G575 CarbonylContact O-C 3.5Å; Y572-G575 WeakPolarHBondContact O-CA 3.28Å; Y572-G575 PolarHBondContact O-N 3.1Å; Y572-G575 VanDerWaalsContact O-N 3.12Å; Y572-M576 HydrophobicContact CD1-CG 3.82Å; Y572-M576 HydrophobicContact CD1-SD 3.87Å; Y572-M576 HydrophobicContact CE1-CG 3.63Å; Y572-M576 HydrophobicContact CE1-SD 3.45Å; Y572-M576 WeakPolarHBondContact CE1-SD 3.14Å; Y572-M576 WeakPolarHBondContact O-CG 3.47Å; Y572-M576 PolarHBondContact O-N 3.37Å
573	M	97	Very high	94.1	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-65.3	-38.6	179.5	-172.4	57.9	79.2	0	0	112.8	L512 F516 F530 A531 F534 I535 C569 G570 G575 M576 L577	L512-M573 HydrophobicContact CD1-CE 3.43Å; L512-M573 VanDerWaalsContact CD1-CE 3.43Å; L512-M573 HydrophobicContact CD2-CE 3.81Å; L512-M573 HydrophobicContact CG-CE 3.65Å; F516-M573 HydrophobicContact CB-CE 4.48Å; F516-M573 HydrophobicContact CD2-CE 4.43Å; F516-M573 HydrophobicContact CD2-SD 3.94Å; F516-M573 HydrophobicContact CE2-SD 4.15Å; F516-M573 HydrophobicContact CG-SD 4.15Å; F516-M573 HydrophobicContact CZ-SD 4.49Å; F530-M573 HydrophobicContact CD1-CE 4.07Å; F530-M573 HydrophobicContact CE1-CE 3.72Å; A531-M573 HydrophobicContact CB-CE 4.45Å; A531-M573 HydrophobicContact CB-CG 3.61Å; A531-M573 HydrophobicContact CB-SD 3.47Å; A531-M573 WeakPolarHBondContact CB-SD 3.28Å; F534-M573 HydrophobicContact CB-CE 4.22Å; I535-M573 HydrophobicContact CD1-CB 4.19Å; I535-M573 HydrophobicContact CD1-CG 3.87Å; I535-M573 HydrophobicContact CG1-CB 3.81Å; I535-M573 HydrophobicContact CG1-CG 3.77Å; C569-M573 WeakPolarHBondContact O-CB 3.33Å; C569-M573 PolarHBondContact O-N 3.06Å; G570-M573 PolarHBondContact O-N 2.97Å; M573-G575 VanDerWaalsContact C-N 3.26Å; M573-G575 PolarHBondContact O-N 3.44Å; M573-M576 WeakPolarHBondContact O-CB 3.42Å; M573-M576 PolarHBondContact O-N 3.12Å; M573-M576 VanDerWaalsContact O-N 3.17Å; M573-M576 HydrophobicContact SD-CB 4.27Å; M573-M576 HydrophobicContact SD-SD 4.26Å; M573-L577 PolarHBondContact O-N 3.25Å
574	I	97.9	Very high	94.2	Very high	6 Å²	6	21.4 Å²	21.4	3%	0.031	10%	0.099	C	C	.	.	H	α-helix	trans	-60.5	-40.6	171.6	-66.8	159.2	0	0	0	110.5	F402 I535 G570 A571 L577 T578 V644 T647 L648	F402-I574 HydrophobicContact CD2-CG2 4.21Å; F402-I574 HydrophobicContact CE2-CG2 4.32Å; I535-I574 HydrophobicContact CD1-CG1 3.81Å; I535-I574 HydrophobicContact CG1-CG1 4.4Å; G570-I574 WeakPolarHBondContact O-CD1 3.45Å; G570-I574 VanDerWaalsContact O-CG1 3.27Å; G570-I574 WeakPolarHBondContact O-CG1 3.39Å; G570-I574 PolarHBondContact O-N 3.01Å; A571-I574 PolarHBondContact O-N 2.81Å; I574-L577 PolarHBondContact O-N 2.04Å; I574-T578 WeakPolarHBondContact O-CB 3.42Å; I574-T578 PolarHBondContact O-N 3.02Å; I574-T578 PolarHBondContact O-OG1 2.96Å; I574-V644 HydrophobicContact CD1-CG1 4.16Å; I574-T647 HydrophobicContact CB-CG2 4.02Å; I574-T647 HydrophobicContact CD1-CG2 4.08Å; I574-T647 HydrophobicContact CG2-CG2 3.97Å; I574-L648 HydrophobicContact CD1-CD2 4.19Å; I574-L648 HydrophobicContact CD1-CG 4.03Å; I574-L648 HydrophobicContact CG1-CD2 4.18Å; I574-L648 HydrophobicContact CG2-CD2 3.95Å
575	G	97.9	Very high	94.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-55.6	-52.7	170.3	0	0	0	0	0	111.9	F402 L406 A571 Y572 M573 L577 T578 G579	F402-G575 VanDerWaalsContact CD2-CA 3.43Å; F402-G575 VanDerWaalsContact O-CA 3.29Å; F402-G575 WeakPolarHBondContact O-CA 3.3Å; L406-G575 WeakPolarHBondContact CA-O 3.41Å; L406-G575 WeakPolarHBondContact CB-O 3.49Å; L406-G575 VanDerWaalsContact N-C 3.33Å; L406-G575 PolarHBondContact N-O 3.25Å; A571-G575 PolarHBondContact O-N 3.37Å; A571-G575 VanDerWaalsContact O-N 3.16Å; Y572-G575 CarbonylContact O-C 3.5Å; Y572-G575 WeakPolarHBondContact O-CA 3.28Å; Y572-G575 PolarHBondContact O-N 3.1Å; Y572-G575 VanDerWaalsContact O-N 3.12Å; M573-G575 VanDerWaalsContact C-N 3.26Å; M573-G575 PolarHBondContact O-N 3.44Å; G575-L577 PolarHBondContact O-N 2.94Å; G575-T578 PolarHBondContact O-N 3.23Å; G575-T578 VanDerWaalsContact O-N 3.13Å; G575-G579 PolarHBondContact O-N 2.67Å
576	M	97.6	Very high	93.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.8	-45.7	178.7	-64.3	-164.5	81	0	0	112.9	G405 C409 A513 F516 I517 Y572 M573 T578 G579 W580	G405-M576 WeakPolarHBondContact O-CA 3.5Å; C409-M576 HydrophobicContact CB-CB 4.18Å; C409-M576 HydrophobicContact CB-CE 4.26Å; C409-M576 WeakPolarHBondContact CB-O 3.47Å; C409-M576 PolarHBondContact SG-O 3.47Å; C409-M576 VanDerWaalsContact SG-O 3.36Å; A513-M576 HydrophobicContact CB-CE 3.74Å; A513-M576 HydrophobicContact CB-SD 4.45Å; F516-M576 HydrophobicContact CB-CE 4.03Å; F516-M576 HydrophobicContact CB-SD 4.2Å; F516-M576 HydrophobicContact CD1-CB 3.93Å; F516-M576 HydrophobicContact CD1-CE 3.33Å; F516-M576 HydrophobicContact CD1-SD 3.83Å; F516-M576 HydrophobicContact CE1-CB 3.66Å; F516-M576 HydrophobicContact CE1-CE 4.13Å; F516-M576 HydrophobicContact CG-CE 4.07Å; F516-M576 HydrophobicContact CG-SD 4.23Å; F516-M576 HydrophobicContact CZ-CB 4.41Å; I517-M576 HydrophobicContact CD1-CE 4.12Å; I517-M576 HydrophobicContact CG1-CE 3.74Å; Y572-M576 HydrophobicContact CD1-CG 3.82Å; Y572-M576 HydrophobicContact CD1-SD 3.87Å; Y572-M576 HydrophobicContact CE1-CG 3.63Å; Y572-M576 HydrophobicContact CE1-SD 3.45Å; Y572-M576 WeakPolarHBondContact CE1-SD 3.14Å; Y572-M576 WeakPolarHBondContact O-CG 3.47Å; Y572-M576 PolarHBondContact O-N 3.37Å; M573-M576 WeakPolarHBondContact O-CB 3.42Å; M573-M576 PolarHBondContact O-N 3.12Å; M573-M576 VanDerWaalsContact O-N 3.17Å; M573-M576 HydrophobicContact SD-CB 4.27Å; M573-M576 HydrophobicContact SD-SD 4.26Å; M576-T578 VanDerWaalsContact C-N 3.32Å; M576-T578 PolarHBondContact O-N 3.15Å; M576-G579 PolarHBondContact O-N 3.03Å; M576-W580 PolarHBondContact O-N 3.41Å
577	L	97	Very high	92.9	Very high	32 Å²	32	26.9 Å²	26.9	17%	0.168	12%	0.121	C	C	.	.	H	α-helix	trans	-58.7	-44.2	174.9	-79.4	171.1	0	0	0	111.6	F516 A531 I535 M573 I574 G575 G579 W580 L581	F516-L577 HydrophobicContact CE2-CD2 4.29Å; F516-L577 HydrophobicContact CZ-CD2 3.94Å; F516-L577 HydrophobicContact CZ-CG 4.32Å; A531-L577 HydrophobicContact CB-CD1 3.79Å; A531-L577 HydrophobicContact CB-CD2 3.74Å; A531-L577 HydrophobicContact CB-CG 3.76Å; I535-L577 HydrophobicContact CD1-CD1 3.86Å; M573-L577 PolarHBondContact O-N 3.25Å; I574-L577 PolarHBondContact O-N 2.04Å; G575-L577 PolarHBondContact O-N 2.94Å; L577-G579 VanDerWaalsContact C-N 3.35Å; L577-G579 PolarHBondContact O-N 3.38Å; L577-W580 PolarHBondContact O-N 3.13Å; L577-L581 WeakPolarHBondContact O-CG 3.39Å; L577-L581 PolarHBondContact O-N 3.17Å
578	T	96.1	Very high	91.7	Very high	10 Å²	10	29.6 Å²	29.6	6%	0.061	13%	0.134	C	C	.	.	H	α-helix	trans	-64.8	-40.3	177.6	-52.6	0	0	0	0	111.3	F402 L406 I574 G575 M576 L581 L582 Y655	F402-T578 HydrophobicContact CE2-CG2 4.29Å; F402-T578 HydrophobicContact CZ-CG2 4.01Å; L406-T578 HydrophobicContact CD1-CG2 3.86Å; I574-T578 WeakPolarHBondContact O-CB 3.42Å; I574-T578 PolarHBondContact O-N 3.02Å; I574-T578 PolarHBondContact O-OG1 2.96Å; G575-T578 PolarHBondContact O-N 3.23Å; G575-T578 VanDerWaalsContact O-N 3.13Å; M576-T578 VanDerWaalsContact C-N 3.32Å; M576-T578 PolarHBondContact O-N 3.15Å; T578-L581 PolarHBondContact O-N 2.89Å; T578-L582 WeakPolarHBondContact O-CG 3.4Å; T578-L582 PolarHBondContact O-N 2.99Å; T578-Y655 HydrophobicContact CG2-CD2 4.4Å
579	G	95.5	Very high	90.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63	-39.8	174.7	0	0	0	0	0	113.1	L406 G575 M576 L577 L582 Y583	L406-G579 WeakPolarHBondContact O-CA 3.21Å; G575-G579 PolarHBondContact O-N 2.67Å; M576-G579 PolarHBondContact O-N 3.03Å; L577-G579 VanDerWaalsContact C-N 3.35Å; L577-G579 PolarHBondContact O-N 3.38Å; G579-L582 PolarHBondContact O-N 3.3Å; G579-Y583 PolarHBondContact O-N 3.11Å; G579-Y583 VanDerWaalsContact O-N 3.1Å
580	W	94.5	Very high	88.8	Confident	19 Å²	19	41.3 Å²	41.3	7%	0.072	19%	0.189	C	C	.	.	H	α-helix	trans	-64.7	-45.1	171.9	168.9	69.2	0	0	0	112.1	L520 I528 M576 L577 L582 Y583 E584	L520-W580 HydrophobicContact CD1-CB 3.88Å; L520-W580 HydrophobicContact CD1-CD2 4.46Å; L520-W580 HydrophobicContact CD1-CG 3.68Å; L520-W580 HydrophobicContact CD2-CD2 4.27Å; L520-W580 HydrophobicContact CD2-CG 4.28Å; I528-W580 HydrophobicContact CD1-CH2 3.55Å; I528-W580 HydrophobicContact CD1-CZ2 4.22Å; I528-W580 HydrophobicContact CD1-CZ3 3.94Å; I528-W580 HydrophobicContact CG1-CH2 4.11Å; I528-W580 HydrophobicContact CG1-CZ3 4.09Å; M576-W580 PolarHBondContact O-N 3.41Å; L577-W580 PolarHBondContact O-N 3.13Å; W580-L582 VanDerWaalsContact C-N 3.28Å; W580-L582 PolarHBondContact O-N 3.15Å; W580-Y583 WeakPolarHBondContact O-CB 3.38Å; W580-Y583 PolarHBondContact O-N 3.25Å; W580-Y583 VanDerWaalsContact O-N 3.11Å; W580-E584 PolarHBondContact O-N 3.39Å
581	L	93.6	Very high	87.1	Confident	58 Å²	58	53.2 Å²	53.2	30%	0.304	23%	0.233	S	C	.	.	H	α-helix	trans	-59.2	-38.9	176.6	-73.6	172.5	0	0	0	112.2	L577 T578 Y585 Y655	L577-L581 WeakPolarHBondContact O-CG 3.39Å; L577-L581 PolarHBondContact O-N 3.17Å; T578-L581 PolarHBondContact O-N 2.89Å; L581-Y585 HydrophobicContact CD2-CD2 4.06Å; L581-Y585 HydrophobicContact CD2-CE2 4.19Å; L581-Y585 WeakPolarHBondContact O-CA 3.36Å; L581-Y585 WeakPolarHBondContact O-CB 3.45Å; L581-Y585 PolarHBondContact O-N 3.12Å; L581-Y655 HydrophobicContact CB-CD2 4.3Å; L581-Y655 HydrophobicContact CB-CE2 3.83Å
582	L	92	Very high	85.3	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-68.7	-33.7	175.7	-72.3	174.7	0	0	0	113.1	I342 L344 L406 Y410 T578 G579 W580 P586 Y655 A658 I659	I342-L582 HydrophobicContact CD1-CD2 4.46Å; L344-L582 HydrophobicContact CD2-CD1 4.5Å; L406-L582 HydrophobicContact CD1-CD1 4.03Å; L406-L582 HydrophobicContact CD2-CD1 4.2Å; L406-L582 HydrophobicContact CG-CD1 4.25Å; Y410-L582 HydrophobicContact CD2-CB 4.04Å; Y410-L582 HydrophobicContact CE2-CB 4.35Å; T578-L582 WeakPolarHBondContact O-CG 3.4Å; T578-L582 PolarHBondContact O-N 2.99Å; G579-L582 PolarHBondContact O-N 3.3Å; W580-L582 VanDerWaalsContact C-N 3.28Å; W580-L582 PolarHBondContact O-N 3.15Å; L582-P586 WeakPolarHBondContact O-CA 3.41Å; L582-Y655 HydrophobicContact CD2-CD2 3.48Å; L582-Y655 VanDerWaalsContact CD2-CD2 3.48Å; L582-Y655 HydrophobicContact CD2-CE2 3.69Å; L582-Y655 HydrophobicContact CD2-CG 4.5Å; L582-Y655 HydrophobicContact CG-CD2 3.9Å; L582-Y655 HydrophobicContact CG-CE2 4.19Å; L582-A658 HydrophobicContact CD1-CB 4.11Å; L582-A658 HydrophobicContact CD2-CB 3.46Å; L582-A658 VanDerWaalsContact CD2-CB 3.46Å; L582-A658 HydrophobicContact CG-CB 4.46Å; L582-I659 HydrophobicContact CD2-CG2 4.43Å
583	Y	90.6	Very high	84.1	Confident	57 Å²	57	62.7 Å²	62.7	22%	0.224	29%	0.288	C	S	.	.	H	α-helix	trans	-70.5	-46.9	176.6	175.7	-96.5	0	0	0	111.7	T339 M413 G414 T417 G579 W580	T339-Y583 HydrophobicContact CG2-CE2 4.34Å; M413-Y583 HydrophobicContact CB-CD1 4.05Å; M413-Y583 HydrophobicContact CB-CD2 4.09Å; M413-Y583 HydrophobicContact CB-CE1 4.28Å; M413-Y583 HydrophobicContact CB-CE2 4.34Å; M413-Y583 HydrophobicContact CB-CG 3.94Å; M413-Y583 HydrophobicContact CE-CE1 4.46Å; M413-Y583 HydrophobicContact CG-CD1 3.36Å; M413-Y583 HydrophobicContact CG-CD2 4.24Å; M413-Y583 HydrophobicContact CG-CE1 3.42Å; M413-Y583 VanDerWaalsContact CG-CE1 3.42Å; M413-Y583 HydrophobicContact CG-CE2 4.31Å; M413-Y583 HydrophobicContact CG-CG 3.79Å; G414-Y583 VanDerWaalsContact CA-CE2 3.44Å; T417-Y583 HydrophobicContact CG2-CE1 4.47Å; T417-Y583 PolarHBondContact OG1-OH 3.01Å; G579-Y583 PolarHBondContact O-N 3.11Å; G579-Y583 VanDerWaalsContact O-N 3.1Å; W580-Y583 WeakPolarHBondContact O-CB 3.38Å; W580-Y583 PolarHBondContact O-N 3.25Å; W580-Y583 VanDerWaalsContact O-N 3.11Å
584	E	89.5	Confident	83.3	Confident	51 Å²	51	72.9 Å²	72.9	24%	0.238	33%	0.326	C	S	.	.	H	α-helix	trans	-78.6	-37.5	-175.5	-169.7	69.4	-159.5	0	0	112.4	R524 W580 P586	R524-E584 IonicContact CZ-OE1 3.97Å; R524-E584 IonicContact CZ-OE2 2.91Å; R524-E584 IonicContact NH1-OE1 2.69Å; R524-E584 PolarHBondContact NH1-OE1 3.2Å; R524-E584 IonicContact NH2-OE1 3.37Å; R524-E584 PolarHBondContact NH2-OE1 3.27Å; R524-E584 IonicContact NH2-OE2 3.89Å; W580-E584 PolarHBondContact O-N 3.39Å; E584-P586 VanDerWaalsContact O-CD 3.25Å; E584-P586 WeakPolarHBondContact O-CD 3.48Å
585	Y	88.5	Confident	82.5	Confident	102 Å²	102	81.1 Å²	81.1	40%	0.4	36%	0.357	S	S	.	.			trans	-121.5	67.5	-176.9	-52	-73.1	0	0	0	110.9	L581 R587	L581-Y585 HydrophobicContact CD2-CD2 4.06Å; L581-Y585 HydrophobicContact CD2-CE2 4.19Å; L581-Y585 WeakPolarHBondContact O-CA 3.36Å; L581-Y585 WeakPolarHBondContact O-CB 3.45Å; L581-Y585 PolarHBondContact O-N 3.12Å; Y585-R587 VanDerWaalsContact C-N 3.27Å; Y585-R587 PolarHBondContact O-N 2.86Å
586	P	81.5	Confident	81.8	Confident	32 Å²	32	84.2 Å²	84.2	21%	0.208	37%	0.374	C	S	.	.	S	Bend	trans	-67.8	-26.9	-174	26.9	-35.5	0	0	0	113.3	Y340 I342 L582 E584	Y340-P586 HydrophobicContact CD2-CG 4.31Å; I342-P586 HydrophobicContact CD1-CB 3.82Å; I342-P586 HydrophobicContact CG1-CB 4.43Å; L582-P586 WeakPolarHBondContact O-CA 3.41Å; E584-P586 VanDerWaalsContact O-CD 3.25Å; E584-P586 WeakPolarHBondContact O-CD 3.48Å
587	R	75.9	Confident	81.1	Confident	168 Å²	168	87.4 Å²	87.4	63%	0.634	39%	0.388	S	S	*	.			trans	-139.6	125.7	171.1	-68.9	-176	178.8	168.5	0.3	108.6	Y585 E589	Y585-R587 VanDerWaalsContact C-N 3.27Å; Y585-R587 PolarHBondContact O-N 2.86Å; R587-E589 PolarHBondContact O-N 3.03Å
588	L	67.9	Low	80.5	Confident	65 Å²	65	92.5 Å²	92.5	34%	0.34	41%	0.409	S	S	.	.			trans	-85.2	96.5	166.8	-66.8	173.5	0	0	0	107.7	M590 Y655 I659 W661	L588-M590 PolarHBondContact O-N 2.72Å; L588-M590 VanDerWaalsContact O-N 3.11Å; L588-Y655 HydrophobicContact CD1-CE1 4.13Å; L588-I659 HydrophobicContact CD1-CD1 4.27Å; L588-W661 HydrophobicContact CB-CH2 4.14Å; L588-W661 HydrophobicContact CB-CZ2 3.82Å; L588-W661 HydrophobicContact CD1-CH2 4.2Å
589	E	63.4	Low	80.2	Confident	182 Å²	182	96.7 Å²	96.7	85%	0.85	43%	0.427	S	S	*	.			trans	-72.4	99.1	167.6	-70.7	-174	179.8	0	0	108.6	R587 R591	R587-E589 PolarHBondContact O-N 3.03Å; E589-R591 PolarHBondContact O-N 2.94Å
590	M	59.2	Low	79.8	Confident	78 Å²	78	100.2 Å²	100.2	38%	0.384	45%	0.445	S	S	.	.			trans	-76.3	117.5	171.7	-70.8	-72.6	-71	0	0	108.7	L588 N592 I600 W661	L588-M590 PolarHBondContact O-N 2.72Å; L588-M590 VanDerWaalsContact O-N 3.11Å; M590-N592 PolarHBondContact O-N 2.95Å; M590-I600 HydrophobicContact CE-CD1 3.56Å; M590-W661 HydrophobicContact CG-CH2 3.67Å; M590-W661 HydrophobicContact CG-CZ2 3.65Å; M590-W661 HydrophobicContact SD-CH2 4.22Å
591	R	60	Low	79.6	Confident	252 Å²	252	100.2 Å²	100.2	95%	0.951	45%	0.447	S	S	*	.	S	Bend	trans	-59.6	-11.2	170.5	-177.2	174.3	169	177.5	-2.4	113.5	E589	E589-R591 PolarHBondContact O-N 2.94Å
592	N	58.5	Low	79.4	Confident	98 Å²	98	99.4 Å²	99.4	52%	0.524	45%	0.446	S	S	.	.	S	Bend	trans	-108.1	154.8	-170	-91.2	-11.3	0	0	0	114.6	M590	M590-N592 PolarHBondContact O-N 2.95Å
593	T	72.1	Confident	79.5	Confident	105 Å²	105	104.2 Å²	104.2	64%	0.644	47%	0.471	S	S	*	.			trans	-46.3	142.6	-175.9	-39.6	0	0	0	0	114.4	R595 N596	T593-R595 PolarHBondContact O-N 3.32Å; T593-N596 PolarHBondContact O-N 3.46Å
594	R	79.2	Confident	79.6	Confident	214 Å²	214	102.2 Å²	102.2	81%	0.808	47%	0.467	S	S	*	.	H	α-helix	trans	-40.4	-29.2	175.4	-169	177.9	179.9	-179.1	-0.4	115.3	F598	R594-F598 PolarHBondContact O-N 2.93Å; R594-F598 VanDerWaalsContact O-N 3.17Å
595	R	82.2	Confident	79.8	Confident	179 Å²	179	101.9 Å²	101.9	68%	0.675	46%	0.464	S	S	*	.	H	α-helix	trans	-63.5	-44.5	175.2	-174.3	175.7	-175.8	-167.2	-4.7	113.1	T593 Q597 F598 F599	T593-R595 PolarHBondContact O-N 3.32Å; R595-Q597 VanDerWaalsContact C-N 3.34Å; R595-F598 PolarHBondContact O-N 2.89Å; R595-F599 HydrophobicContact CG-CD2 3.89Å; R595-F599 HydrophobicContact CG-CE2 3.53Å; R595-F599 WeakPolarHBondContact O-CD2 3.36Å; R595-F599 PolarHBondContact O-N 3.14Å; R595-F599 VanDerWaalsContact O-N 3.11Å
596	N	83.7	Confident	80	Confident	66 Å²	66	102.9 Å²	102.9	35%	0.353	48%	0.476	S	S	.	.	H	α-helix	trans	-68	-38.1	-179.7	-71.3	-3.8	0	0	0	111.1	T593 F599 I600	T593-N596 PolarHBondContact O-N 3.46Å; N596-F599 PolarHBondContact O-N 3.38Å; N596-I600 WeakPolarHBondContact O-CD1 3.37Å; N596-I600 VanDerWaalsContact O-CG1 3.27Å; N596-I600 WeakPolarHBondContact O-CG1 3.45Å; N596-I600 PolarHBondContact O-N 2.94Å
597	Q	81.7	Confident	80.7	Confident	66 Å²	66	104.6 Å²	104.6	31%	0.308	49%	0.486	S	S	.	.	H	α-helix	trans	-59	-47.7	173.4	-172.8	-175.7	2.5	0	0	110.9	R595 F599 I600 V601 W661	R595-Q597 VanDerWaalsContact C-N 3.34Å; Q597-F599 VanDerWaalsContact C-N 3.34Å; Q597-F599 PolarHBondContact O-N 3.4Å; Q597-I600 PolarHBondContact O-N 2.93Å; Q597-V601 HydrophobicContact CG-CG2 4.44Å; Q597-V601 WeakPolarHBondContact O-CB 3.48Å; Q597-V601 WeakPolarHBondContact O-CG2 3.44Å; Q597-V601 PolarHBondContact O-N 3.19Å; Q597-W661 HydrophobicContact CG-CD2 4.17Å; Q597-W661 HydrophobicContact CG-CZ2 4.41Å; Q597-W661 VanDerWaalsContact NE2-NE1 3.2Å
598	F	85.8	Confident	81.6	Confident	140 Å²	140	96.6 Å²	96.6	61%	0.614	46%	0.456	S	S	*	.	H	α-helix	trans	-58.5	-44	177.6	-179.5	-96.9	0	0	0	112.6	R594 R595 S602	R594-F598 PolarHBondContact O-N 2.93Å; R594-F598 VanDerWaalsContact O-N 3.17Å; R595-F598 PolarHBondContact O-N 2.89Å; F598-S602 WeakPolarHBondContact O-CB 3.23Å; F598-S602 PolarHBondContact O-N 3.42Å; F598-S602 PolarHBondContact O-OG 2.91Å
599	F	88.5	Confident	82.9	Confident	97 Å²	97	95.8 Å²	95.8	43%	0.425	46%	0.458	S	S	.	.	H	α-helix	trans	-65.2	-46.7	177.6	-77.1	-61.2	0	0	0	113	R595 N596 Q597 V601 S602 I603	R595-F599 HydrophobicContact CG-CD2 3.89Å; R595-F599 HydrophobicContact CG-CE2 3.53Å; R595-F599 WeakPolarHBondContact O-CD2 3.36Å; R595-F599 PolarHBondContact O-N 3.14Å; R595-F599 VanDerWaalsContact O-N 3.11Å; N596-F599 PolarHBondContact O-N 3.38Å; Q597-F599 VanDerWaalsContact C-N 3.34Å; Q597-F599 PolarHBondContact O-N 3.4Å; F599-V601 VanDerWaalsContact C-N 3.3Å; F599-V601 PolarHBondContact O-N 3.2Å; F599-S602 PolarHBondContact O-N 3.09Å; F599-I603 WeakPolarHBondContact O-CB 3.38Å; F599-I603 VanDerWaalsContact O-CG1 3.27Å; F599-I603 WeakPolarHBondContact O-CG1 3.45Å; F599-I603 PolarHBondContact O-N 3.14Å
600	I	88.3	Confident	84.4	Confident	75 Å²	75	93.1 Å²	93.1	39%	0.385	44%	0.444	S	S	.	.	H	α-helix	trans	-61.2	-42.5	179.5	-68.1	164.4	0	0	0	110.6	M590 N596 Q597 I603 G604 W661	M590-I600 HydrophobicContact CE-CD1 3.56Å; N596-I600 WeakPolarHBondContact O-CD1 3.37Å; N596-I600 VanDerWaalsContact O-CG1 3.27Å; N596-I600 WeakPolarHBondContact O-CG1 3.45Å; N596-I600 PolarHBondContact O-N 2.94Å; Q597-I600 PolarHBondContact O-N 2.93Å; I600-I603 PolarHBondContact O-N 3.5Å; I600-G604 PolarHBondContact O-N 2.9Å; I600-W661 HydrophobicContact CG2-CZ3 3.95Å
601	V	89	Confident	86.1	Confident	18 Å²	18	91.1 Å²	91.1	11%	0.109	44%	0.435	C	S	.	.	H	α-helix	trans	-64.5	-44.3	177.5	173	0	0	0	0	111.2	Q597 F599 G604 Y605 W661	Q597-V601 HydrophobicContact CG-CG2 4.44Å; Q597-V601 WeakPolarHBondContact O-CB 3.48Å; Q597-V601 WeakPolarHBondContact O-CG2 3.44Å; Q597-V601 PolarHBondContact O-N 3.19Å; F599-V601 VanDerWaalsContact C-N 3.3Å; F599-V601 PolarHBondContact O-N 3.2Å; V601-G604 PolarHBondContact O-N 3.46Å; V601-Y605 HydrophobicContact CG1-CD2 3.61Å; V601-Y605 HydrophobicContact CG1-CE2 3.56Å; V601-Y605 VanDerWaalsContact O-CD2 3.28Å; V601-Y605 WeakPolarHBondContact O-CD2 3.48Å; V601-Y605 PolarHBondContact O-N 3.02Å; V601-W661 HydrophobicContact CG2-CB 3.63Å; V601-W661 HydrophobicContact CG2-CD2 3.93Å; V601-W661 HydrophobicContact CG2-CE3 3.51Å; V601-W661 HydrophobicContact CG2-CG 4.03Å; V601-W661 HydrophobicContact CG2-CZ3 4.45Å
602	S	90.5	Very high	87.5	Confident	41 Å²	41	82.2 Å²	82.2	29%	0.287	40%	0.403	S	S	.	.	H	α-helix	trans	-63	-46.3	178.6	-58	0	0	0	0	111.3	F598 F599 Y605 L606	F598-S602 WeakPolarHBondContact O-CB 3.23Å; F598-S602 PolarHBondContact O-N 3.42Å; F598-S602 PolarHBondContact O-OG 2.91Å; F599-S602 PolarHBondContact O-N 3.09Å; S602-Y605 PolarHBondContact O-N 2.91Å; S602-L606 WeakPolarHBondContact O-CB 3.39Å; S602-L606 VanDerWaalsContact O-CG 3.26Å; S602-L606 WeakPolarHBondContact O-CG 3.23Å; S602-L606 PolarHBondContact O-N 3.05Å
603	I	92.9	Very high	89	Confident	102 Å²	102	80.2 Å²	80.2	52%	0.523	39%	0.394	S	S	.	.	H	α-helix	trans	-62.2	-44.8	175.6	-67.3	168.6	0	0	0	110.3	F599 I600 Y605 L606 V607	F599-I603 WeakPolarHBondContact O-CB 3.38Å; F599-I603 VanDerWaalsContact O-CG1 3.27Å; F599-I603 WeakPolarHBondContact O-CG1 3.45Å; F599-I603 PolarHBondContact O-N 3.14Å; I600-I603 PolarHBondContact O-N 3.5Å; I603-Y605 PolarHBondContact O-N 3.28Å; I603-L606 PolarHBondContact O-N 2.98Å; I603-V607 HydrophobicContact CG2-CG2 4.31Å; I603-V607 VanDerWaalsContact O-CG2 3.32Å; I603-V607 WeakPolarHBondContact O-CG2 3.26Å; I603-V607 PolarHBondContact O-N 2.93Å
604	G	92.5	Very high	89.8	Confident	15 Å²	15	78 Å²	78	16%	0.155	38%	0.378	C	S	.	.	H	α-helix	trans	-58.7	-44.4	178.2	0	0	0	0	0	112.5	I600 V601 V607 A608	I600-G604 PolarHBondContact O-N 2.9Å; V601-G604 PolarHBondContact O-N 3.46Å; G604-V607 PolarHBondContact O-N 2.99Å; G604-A608 VanDerWaalsContact O-CB 3.26Å; G604-A608 WeakPolarHBondContact O-CB 3.11Å; G604-A608 PolarHBondContact O-N 3.45Å
605	Y	93.6	Very high	90.3	Very high	45 Å²	45	67.9 Å²	67.9	18%	0.176	34%	0.34	C	S	.	.	H	α-helix	trans	-70.8	-33.9	175.5	-80.1	-57.6	0	0	0	113.6	V601 S602 I603 A608 A609 L656 C657 G662 I665	V601-Y605 HydrophobicContact CG1-CD2 3.61Å; V601-Y605 HydrophobicContact CG1-CE2 3.56Å; V601-Y605 VanDerWaalsContact O-CD2 3.28Å; V601-Y605 WeakPolarHBondContact O-CD2 3.48Å; V601-Y605 PolarHBondContact O-N 3.02Å; S602-Y605 PolarHBondContact O-N 2.91Å; I603-Y605 PolarHBondContact O-N 3.28Å; Y605-A608 PolarHBondContact O-N 2.91Å; Y605-A609 WeakPolarHBondContact O-CB 3.26Å; Y605-A609 PolarHBondContact O-N 3.49Å; Y605-L656 HydrophobicContact CD1-CD1 4.11Å; Y605-L656 HydrophobicContact CD2-CD1 4.06Å; Y605-L656 HydrophobicContact CE1-CB 4.33Å; Y605-L656 HydrophobicContact CE1-CD1 3.98Å; Y605-L656 HydrophobicContact CE2-CB 4.32Å; Y605-L656 HydrophobicContact CE2-CD1 3.95Å; Y605-L656 HydrophobicContact CG-CD1 4.13Å; Y605-C657 PolarHBondContact OH-SG 3.38Å; Y605-G662 WeakPolarHBondContact OH-CA 3.41Å; Y605-I665 HydrophobicContact CD1-CD1 3.89Å; Y605-I665 HydrophobicContact CE1-CD1 3.38Å; Y605-I665 HydrophobicContact CE2-CD1 4.35Å
606	L	94.7	Very high	90.4	Very high	123 Å²	123	59.8 Å²	59.8	64%	0.644	31%	0.31	S	S	*	.	H	α-helix	trans	-64.8	-44.2	173.1	-73.9	171.4	0	0	0	111.4	S602 I603 A609 F610	S602-L606 WeakPolarHBondContact O-CB 3.39Å; S602-L606 VanDerWaalsContact O-CG 3.26Å; S602-L606 WeakPolarHBondContact O-CG 3.23Å; S602-L606 PolarHBondContact O-N 3.05Å; I603-L606 PolarHBondContact O-N 2.98Å; L606-A609 PolarHBondContact O-N 3.23Å; L606-F610 WeakPolarHBondContact O-CB 3.19Å; L606-F610 PolarHBondContact O-N 3.22Å
607	V	95.9	Very high	90.3	Very high	67 Å²	67	61.3 Å²	61.3	41%	0.406	31%	0.314	S	S	.	.	H	α-helix	trans	-64	-44.5	174.8	172.6	0	0	0	0	110.5	I603 G604 A609 F610 L611 I652	I603-V607 HydrophobicContact CG2-CG2 4.31Å; I603-V607 VanDerWaalsContact O-CG2 3.32Å; I603-V607 WeakPolarHBondContact O-CG2 3.26Å; I603-V607 PolarHBondContact O-N 2.93Å; G604-V607 PolarHBondContact O-N 2.99Å; V607-A609 PolarHBondContact O-N 2.97Å; V607-F610 PolarHBondContact O-N 3.4Å; V607-L611 HydrophobicContact CG1-CD1 3.89Å; V607-L611 HydrophobicContact CG1-CG 4.32Å; V607-L611 WeakPolarHBondContact O-CB 3.34Å; V607-L611 VanDerWaalsContact O-CG 3.31Å; V607-L611 WeakPolarHBondContact O-CG 3.4Å; V607-L611 PolarHBondContact O-N 3.21Å; V607-I652 HydrophobicContact CG1-CD1 4.11Å
608	A	94.7	Very high	90.3	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.008	31%	0.312	C	S	.	.	H	α-helix	trans	-61.5	-44.7	177.4	0	0	0	0	0	112.1	G604 Y605 L611 F612 G649 I652 S653	G604-A608 VanDerWaalsContact O-CB 3.26Å; G604-A608 WeakPolarHBondContact O-CB 3.11Å; G604-A608 PolarHBondContact O-N 3.45Å; Y605-A608 PolarHBondContact O-N 2.91Å; A608-L611 PolarHBondContact O-N 3.33Å; A608-F612 WeakPolarHBondContact O-CB 3.36Å; A608-F612 PolarHBondContact O-N 3.28Å; A608-G649 WeakPolarHBondContact CB-O 3.21Å; A608-I652 HydrophobicContact CB-CB 4.06Å; A608-I652 HydrophobicContact CB-CG2 3.94Å; A608-S653 WeakPolarHBondContact CB-OG 3.49Å
609	A	93.9	Very high	89.9	Confident	48 Å²	48	54 Å²	54	40%	0.397	28%	0.283	S	S	.	.	H	α-helix	trans	-61.5	-47.1	175.5	0	0	0	0	0	110.6	Y605 L606 V607 L611 F612 V613	Y605-A609 WeakPolarHBondContact O-CB 3.26Å; Y605-A609 PolarHBondContact O-N 3.49Å; L606-A609 PolarHBondContact O-N 3.23Å; V607-A609 PolarHBondContact O-N 2.97Å; A609-L611 PolarHBondContact O-N 3.08Å; A609-F612 PolarHBondContact O-N 3.2Å; A609-V613 WeakPolarHBondContact O-CB 2.84Å; A609-V613 WeakPolarHBondContact O-CG2 3.16Å; A609-V613 PolarHBondContact O-N 3.08Å
610	F	94.8	Very high	89.4	Confident	126 Å²	126	51.7 Å²	51.7	55%	0.553	27%	0.271	S	S	*	.	H	α-helix	trans	-56.7	-50.7	176	177.5	-99.9	0	0	0	111.8	L606 V607 F612 V613 L614	L606-F610 WeakPolarHBondContact O-CB 3.19Å; L606-F610 PolarHBondContact O-N 3.22Å; V607-F610 PolarHBondContact O-N 3.4Å; F610-F612 VanDerWaalsContact C-N 3.32Å; F610-F612 PolarHBondContact O-N 3.48Å; F610-V613 PolarHBondContact O-N 3Å; F610-L614 HydrophobicContact CE1-CD2 3.96Å; F610-L614 HydrophobicContact CE2-CD1 4.32Å; F610-L614 HydrophobicContact CZ-CD1 4.09Å; F610-L614 HydrophobicContact CZ-CD2 4.04Å; F610-L614 WeakPolarHBondContact O-CB 3.25Å; F610-L614 PolarHBondContact O-N 3.16Å
611	L	94.7	Very high	88.8	Confident	35 Å²	35	48.4 Å²	48.4	18%	0.183	26%	0.257	C	S	.	.	H	α-helix	trans	-65.3	-32.6	-179	-71.1	176.2	0	0	0	113.8	V607 A608 A609 P615 S645 L648 I652	V607-L611 HydrophobicContact CG1-CD1 3.89Å; V607-L611 HydrophobicContact CG1-CG 4.32Å; V607-L611 WeakPolarHBondContact O-CB 3.34Å; V607-L611 VanDerWaalsContact O-CG 3.31Å; V607-L611 WeakPolarHBondContact O-CG 3.4Å; V607-L611 PolarHBondContact O-N 3.21Å; A608-L611 PolarHBondContact O-N 3.33Å; A609-L611 PolarHBondContact O-N 3.08Å; L611-P615 WeakPolarHBondContact O-CD 3.44Å; L611-S645 WeakPolarHBondContact CB-O 3.46Å; L611-S645 WeakPolarHBondContact CD2-OG 3.11Å; L611-S645 CarbonylContact O-C 3.53Å; L611-S645 PolarHBondContact O-OG 3.13Å; L611-L648 HydrophobicContact CD1-CB 4.13Å; L611-I652 HydrophobicContact CD1-CD1 3.98Å
612	F	90.9	Very high	88	Confident	66 Å²	66	49.1 Å²	49.1	29%	0.289	26%	0.261	S	S	.	.	H	α-helix	trans	-74.9	-44.2	176.3	175.2	-95.9	0	0	0	112.2	A608 A609 F610 I616 F646 I650	A608-F612 WeakPolarHBondContact O-CB 3.36Å; A608-F612 PolarHBondContact O-N 3.28Å; A609-F612 PolarHBondContact O-N 3.2Å; F610-F612 VanDerWaalsContact C-N 3.32Å; F610-F612 PolarHBondContact O-N 3.48Å; F612-I616 HydrophobicContact CE1-CD1 4.15Å; F612-I616 HydrophobicContact CZ-CD1 4.31Å; F612-F646 AromaticContact CD2-CD2 3.76Å; F612-F646 HydrophobicContact CD2-CD2 3.76Å; F612-F646 AromaticContact CD2-CE2 3.37Å; F612-F646 HydrophobicContact CD2-CE2 3.37Å; F612-F646 HydrophobicContact CD2-CZ 4.16Å; F612-F646 HydrophobicContact CE2-CD2 4.08Å; F612-F646 AromaticContact CE2-CE2 3.22Å; F612-F646 HydrophobicContact CE2-CE2 3.22Å; F612-F646 AromaticContact CE2-CZ 3.8Å; F612-F646 HydrophobicContact CE2-CZ 3.8Å; F612-F646 HydrophobicContact CG-CE2 4.39Å; F612-F646 HydrophobicContact CZ-CE2 4.14Å; F612-I650 HydrophobicContact CD2-CD1 3.66Å; F612-I650 HydrophobicContact CD2-CG1 4.21Å; F612-I650 HydrophobicContact CE2-CD1 3.78Å
613	V	89.1	Confident	87	Confident	55 Å²	55	48.4 Å²	48.4	33%	0.333	25%	0.254	S	S	.	.	H	α-helix	trans	-78.3	-36.6	-174.4	172.4	0	0	0	0	111.7	A609 F610 I616 F617	A609-V613 WeakPolarHBondContact O-CB 2.84Å; A609-V613 WeakPolarHBondContact O-CG2 3.16Å; A609-V613 PolarHBondContact O-N 3.08Å; F610-V613 PolarHBondContact O-N 3Å; V613-I616 PolarHBondContact O-N 2.79Å; V613-I616 VanDerWaalsContact O-N 3.12Å; V613-F617 HydrophobicContact CB-CD2 4.37Å; V613-F617 HydrophobicContact CG1-CD2 3.12Å; V613-F617 HydrophobicContact CG1-CE2 3.27Å; V613-F617 HydrophobicContact CG1-CG 4.12Å; V613-F617 HydrophobicContact CG1-CZ 4.35Å; V613-F617 WeakPolarHBondContact O-CD2 3.45Å; V613-F617 PolarHBondContact O-N 2.67Å
614	L	89.9	Confident	85.9	Confident	59 Å²	59	44.7 Å²	44.7	31%	0.309	24%	0.236	S	C	.	.	H	α-helix	trans	-52.8	-51.9	-174.9	173.9	75.8	0	0	0	113.4	F610 I616 F617 I618	F610-L614 HydrophobicContact CE1-CD2 3.96Å; F610-L614 HydrophobicContact CE2-CD1 4.32Å; F610-L614 HydrophobicContact CZ-CD1 4.09Å; F610-L614 HydrophobicContact CZ-CD2 4.04Å; F610-L614 WeakPolarHBondContact O-CB 3.25Å; F610-L614 PolarHBondContact O-N 3.16Å; L614-I616 VanDerWaalsContact C-N 3.34Å; L614-I616 PolarHBondContact O-N 2.82Å; L614-F617 PolarHBondContact O-N 3.22Å; L614-I618 HydrophobicContact CD1-CD1 3.64Å; L614-I618 HydrophobicContact CD1-CG1 4.1Å; L614-I618 HydrophobicContact CG-CD1 3.76Å; L614-I618 HydrophobicContact CG-CG1 4.49Å; L614-I618 VanDerWaalsContact O-CG1 3.3Å; L614-I618 WeakPolarHBondContact O-CG1 3.23Å; L614-I618 PolarHBondContact O-N 3.22Å
615	P	88.2	Confident	84.6	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.013	25%	0.248	C	C	.	.	H	α-helix	trans	-55	-45.8	175.5	-30.9	39.6	0	0	0	113.7	L395 L611 F617 I618 S619 Y638 H642 F646	L395-P615 HydrophobicContact CD1-CB 4.26Å; L611-P615 WeakPolarHBondContact O-CD 3.44Å; P615-F617 PolarHBondContact O-N 2.69Å; P615-I618 PolarHBondContact O-N 2.81Å; P615-S619 WeakPolarHBondContact O-CB 3.32Å; P615-S619 PolarHBondContact O-N 3.23Å; P615-S619 VanDerWaalsContact O-N 3.09Å; P615-Y638 PolarHBondContact O-OH 3.35Å; P615-H642 HydrophobicContact CB-CB 4.1Å; P615-H642 HydrophobicContact CG-CB 4.36Å; P615-H642 WeakPolarHBondContact CG-O 3.45Å; P615-F646 HydrophobicContact CG-CB 4.15Å
616	I	84.8	Confident	83.4	Confident	9 Å²	9	50.5 Å²	50.5	5%	0.046	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-43.6	-176.1	-59	173.4	0	0	0	110.2	W357 N392 L395 F612 V613 L614 Y620	W357-I616 HydrophobicContact CH2-CD1 4.44Å; N392-I616 HydrophobicContact CB-CG1 4.34Å; N392-I616 HydrophobicContact CB-CG2 4.42Å; L395-I616 HydrophobicContact CD1-CG1 4.35Å; F612-I616 HydrophobicContact CE1-CD1 4.15Å; F612-I616 HydrophobicContact CZ-CD1 4.31Å; V613-I616 PolarHBondContact O-N 2.79Å; V613-I616 VanDerWaalsContact O-N 3.12Å; L614-I616 VanDerWaalsContact C-N 3.34Å; L614-I616 PolarHBondContact O-N 2.82Å; I616-Y620 WeakPolarHBondContact O-CB 3.44Å; I616-Y620 PolarHBondContact O-N 2.75Å
617	F	81.5	Confident	82.1	Confident	98 Å²	98	48.4 Å²	48.4	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-74.5	-34.8	-179.1	-86.1	-97.8	0	0	0	113.6	W385 V613 L614 P615 Y620 G621	W385-F617 AromaticContact CE2-CE2 3.94Å; W385-F617 AromaticContact CE2-CZ 3.81Å; W385-F617 AromaticContact CZ2-CE2 3.91Å; W385-F617 HydrophobicContact CZ2-CE2 3.91Å; W385-F617 HydrophobicContact CZ2-CZ 4.1Å; W385-F617 AromaticContact NE1-CE1 3.61Å; W385-F617 AromaticContact NE1-CE2 3.45Å; W385-F617 AromaticContact NE1-CZ 3.23Å; V613-F617 HydrophobicContact CB-CD2 4.37Å; V613-F617 HydrophobicContact CG1-CD2 3.12Å; V613-F617 HydrophobicContact CG1-CE2 3.27Å; V613-F617 HydrophobicContact CG1-CG 4.12Å; V613-F617 HydrophobicContact CG1-CZ 4.35Å; V613-F617 WeakPolarHBondContact O-CD2 3.45Å; V613-F617 PolarHBondContact O-N 2.67Å; L614-F617 PolarHBondContact O-N 3.22Å; P615-F617 PolarHBondContact O-N 2.69Å; F617-Y620 PolarHBondContact O-N 3.17Å; F617-G621 PolarHBondContact O-N 3.03Å
618	I	82.2	Confident	80.6	Confident	51 Å²	51	51.1 Å²	51.1	26%	0.262	28%	0.281	S	S	.	.	H	α-helix	trans	-63.4	-46.6	173.7	-68.2	168.4	0	0	0	109.9	I553 L614 P615 Y620 G621 V622 Y638	I553-I618 HydrophobicContact CD1-CG2 4.32Å; L614-I618 HydrophobicContact CD1-CD1 3.64Å; L614-I618 HydrophobicContact CD1-CG1 4.1Å; L614-I618 HydrophobicContact CG-CD1 3.76Å; L614-I618 HydrophobicContact CG-CG1 4.49Å; L614-I618 VanDerWaalsContact O-CG1 3.3Å; L614-I618 WeakPolarHBondContact O-CG1 3.23Å; L614-I618 PolarHBondContact O-N 3.22Å; P615-I618 PolarHBondContact O-N 2.81Å; I618-Y620 VanDerWaalsContact C-N 3.3Å; I618-Y620 PolarHBondContact O-N 2.96Å; I618-G621 PolarHBondContact O-N 3.36Å; I618-G621 VanDerWaalsContact O-N 3.14Å; I618-V622 PolarHBondContact O-N 3.43Å; I618-V622 VanDerWaalsContact O-N 3.16Å; I618-Y638 HydrophobicContact CB-CD2 4.13Å; I618-Y638 HydrophobicContact CB-CE2 3.68Å; I618-Y638 HydrophobicContact CD1-CD2 4.11Å; I618-Y638 HydrophobicContact CD1-CE2 4.15Å; I618-Y638 HydrophobicContact CG2-CD2 3.53Å; I618-Y638 HydrophobicContact CG2-CE2 3.48Å; I618-Y638 VanDerWaalsContact CG2-CE2 3.48Å; I618-Y638 HydrophobicContact CG2-CG 4.37Å
619	S	78.4	Confident	79.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-56.9	-45.1	174.8	171.6	0	0	0	0	111.3	N392 P615 G621 V622 L623	N392-S619 PolarHBondContact ND2-OG 3.02Å; P615-S619 WeakPolarHBondContact O-CB 3.32Å; P615-S619 PolarHBondContact O-N 3.23Å; P615-S619 VanDerWaalsContact O-N 3.09Å; S619-G621 PolarHBondContact O-N 3.39Å; S619-V622 PolarHBondContact O-N 3.27Å; S619-L623 VanDerWaalsContact O-CB 3.29Å; S619-L623 WeakPolarHBondContact O-CB 3.24Å; S619-L623 PolarHBondContact O-N 3.12Å
620	Y	76.5	Confident	78.4	Confident	49 Å²	49	60.7 Å²	60.7	19%	0.192	32%	0.319	C	S	.	.	H	α-helix	trans	-61.9	-40.1	174.9	176.9	-98.4	0	0	0	113.1	R382 W385 I616 F617 I618 V622 L623 S624	R382-Y620 PolarHBondContact O-OH 2.67Å; W385-Y620 HydrophobicContact CB-CE2 4.26Å; I616-Y620 WeakPolarHBondContact O-CB 3.44Å; I616-Y620 PolarHBondContact O-N 2.75Å; F617-Y620 PolarHBondContact O-N 3.17Å; I618-Y620 VanDerWaalsContact C-N 3.3Å; I618-Y620 PolarHBondContact O-N 2.96Å; Y620-V622 VanDerWaalsContact C-N 3.32Å; Y620-V622 PolarHBondContact O-N 3.11Å; Y620-L623 PolarHBondContact O-N 2.9Å; Y620-S624 VanDerWaalsContact O-CB 3.26Å; Y620-S624 WeakPolarHBondContact O-CB 3.49Å; Y620-S624 PolarHBondContact O-N 3.35Å; Y620-S624 PolarHBondContact O-OG 2.94Å
621	G	76	Confident	78.1	Confident	7 Å²	7	57.9 Å²	57.9	7%	0.072	31%	0.314	C	S	.	.	H	α-helix	trans	-61.1	-38.4	178.3	0	0	0	0	0	113	F617 I618 S619 S624 L626 L627	F617-G621 PolarHBondContact O-N 3.03Å; I618-G621 PolarHBondContact O-N 3.36Å; I618-G621 VanDerWaalsContact O-N 3.14Å; S619-G621 PolarHBondContact O-N 3.39Å; G621-S624 WeakPolarHBondContact CA-OG 3Å; G621-S624 PolarHBondContact O-OG 3.43Å; G621-S624 VanDerWaalsContact O-OG 3.13Å; G621-L626 WeakPolarHBondContact O-CB 3.24Å; G621-L626 PolarHBondContact O-N 3.06Å; G621-L627 PolarHBondContact O-N 3.49Å
622	V	73.2	Confident	77.7	Confident	33 Å²	33	63.3 Å²	63.3	20%	0.2	33%	0.332	C	S	.	.	H	α-helix	trans	-71.7	-48.8	173.4	178.6	0	0	0	0	110.7	I553 I618 S619 Y620 S624 G625 L627 M630	I553-V622 HydrophobicContact CB-CG1 4.4Å; I553-V622 HydrophobicContact CB-CG2 4.42Å; I553-V622 HydrophobicContact CD1-CG2 3.62Å; I553-V622 HydrophobicContact CG2-CB 4.38Å; I553-V622 HydrophobicContact CG2-CG2 4.3Å; I618-V622 PolarHBondContact O-N 3.43Å; I618-V622 VanDerWaalsContact O-N 3.16Å; S619-V622 PolarHBondContact O-N 3.27Å; Y620-V622 VanDerWaalsContact C-N 3.32Å; Y620-V622 PolarHBondContact O-N 3.11Å; V622-S624 PolarHBondContact O-N 3.43Å; V622-G625 PolarHBondContact O-N 3.3Å; V622-L627 HydrophobicContact CG2-CB 4.02Å; V622-L627 HydrophobicContact CG2-CD1 3.91Å; V622-M630 HydrophobicContact CG2-CE 4.26Å
623	L	69	Low	77.7	Confident	26 Å²	26	66.3 Å²	66.3	14%	0.136	35%	0.345	C	S	.	.	H	α-helix	trans	-61.9	-32.3	-177.4	-175.4	58.3	0	0	0	112.5	F381 R382 F391 M554 S619 Y620 G625	F381-L623 HydrophobicContact CB-CD1 3.91Å; F381-L623 HydrophobicContact CB-CD2 3.74Å; F381-L623 HydrophobicContact CB-CG 3.76Å; F381-L623 HydrophobicContact CD1-CD2 3.65Å; F381-L623 HydrophobicContact CG-CD1 4.39Å; F381-L623 HydrophobicContact CG-CD2 3.92Å; F381-L623 HydrophobicContact CG-CG 4.39Å; R382-L623 VanDerWaalsContact CG-O 3.26Å; R382-L623 WeakPolarHBondContact CG-O 3.36Å; F391-L623 HydrophobicContact CD1-CD2 4.13Å; F391-L623 HydrophobicContact CG-CD2 4.3Å; M554-L623 HydrophobicContact CE-CD1 3.69Å; M554-L623 HydrophobicContact SD-CD1 4.08Å; S619-L623 VanDerWaalsContact O-CB 3.29Å; S619-L623 WeakPolarHBondContact O-CB 3.24Å; S619-L623 PolarHBondContact O-N 3.12Å; Y620-L623 PolarHBondContact O-N 2.9Å; L623-G625 PolarHBondContact O-N 2.93Å
624	S	68.4	Low	77.8	Confident	23 Å²	23	66.9 Å²	66.9	16%	0.161	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-8.7	174.6	57.2	0	0	0	0	115.2	R382 Y620 G621 V622 L626	R382-S624 WeakPolarHBondContact O-CB 3.31Å; Y620-S624 VanDerWaalsContact O-CB 3.26Å; Y620-S624 WeakPolarHBondContact O-CB 3.49Å; Y620-S624 PolarHBondContact O-N 3.35Å; Y620-S624 PolarHBondContact O-OG 2.94Å; G621-S624 WeakPolarHBondContact CA-OG 3Å; G621-S624 PolarHBondContact O-OG 3.43Å; G621-S624 VanDerWaalsContact O-OG 3.13Å; V622-S624 PolarHBondContact O-N 3.43Å; S624-L626 PolarHBondContact O-N 3.26Å
625	G	67	Low	77.7	Confident	38 Å²	38	64.2 Å²	64.2	39%	0.392	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	10.2	-171.8	0	0	0	0	0	113.2	V622 L623 L627 T628	V622-G625 PolarHBondContact O-N 3.3Å; L623-G625 PolarHBondContact O-N 2.93Å; G625-L627 PolarHBondContact O-N 3.09Å; G625-T628 VanDerWaalsContact O-CG2 3.25Å; G625-T628 WeakPolarHBondContact O-CG2 3.42Å
626	L	67.3	Low	77.9	Confident	145 Å²	145	64.2 Å²	64.2	76%	0.759	34%	0.336	S	S	*	.	S	Bend	trans	-67.8	-29.8	172.6	-164.4	79.7	0	0	0	111	G621 S624	G621-L626 WeakPolarHBondContact O-CB 3.24Å; G621-L626 PolarHBondContact O-N 3.06Å; S624-L626 PolarHBondContact O-N 3.26Å
627	L	67.9	Low	78.2	Confident	79 Å²	79	65.3 Å²	65.3	41%	0.414	35%	0.346	S	S	.	.	S	Bend	trans	-110.3	92.9	172.7	-64.7	166.1	0	0	0	108.3	G621 V622 G625	G621-L627 PolarHBondContact O-N 3.49Å; V622-L627 HydrophobicContact CG2-CB 4.02Å; V622-L627 HydrophobicContact CG2-CD1 3.91Å; G625-L627 PolarHBondContact O-N 3.09Å
628	T	64.8	Low	78.7	Confident	123 Å²	123	61.7 Å²	61.7	76%	0.755	33%	0.33	S	S	*	.			trans	-81.1	-30.1	-172.6	52.7	0	0	0	0	114.1	G625	G625-T628 VanDerWaalsContact O-CG2 3.25Å; G625-T628 WeakPolarHBondContact O-CG2 3.42Å
629	E	67.5	Low	79.1	Confident	180 Å²	180	59.3 Å²	59.3	84%	0.841	32%	0.318	S	S	*	.			trans	-135.7	110.8	-176.7	-66	-174.1	-173.1	0	0	110.3
630	M	75.4	Confident	79.8	Confident	71 Å²	71	59.5 Å²	59.5	35%	0.35	32%	0.32	S	S	.	.			trans	-108.6	126.2	171.4	-170.8	168.8	-64.9	0	0	109.5	I553 V622 T634 A635	I553-M630 HydrophobicContact CD1-CE 3.29Å; I553-M630 HydrophobicContact CD1-SD 3.21Å; I553-M630 WeakPolarHBondContact CD1-SD 3.44Å; I553-M630 HydrophobicContact CG1-SD 3.99Å; V622-M630 HydrophobicContact CG2-CE 4.26Å; M630-T634 WeakPolarHBondContact CG-OG1 3.44Å; M630-T634 VanDerWaalsContact SD-C 3.5Å; M630-A635 HydrophobicContact CG-CB 4.29Å; M630-A635 VanDerWaalsContact SD-CA 3.6Å; M630-A635 HydrophobicContact SD-CB 4.11Å; M630-A635 PolarHBondContact SD-N 3.06Å; M630-A635 VanDerWaalsContact SD-N 3.41Å
631	S	86.7	Confident	80.6	Confident	66 Å²	66	62.7 Å²	62.7	46%	0.462	33%	0.334	S	S	.	.			trans	-58.4	148.8	173.8	83.2	0	0	0	0	110.7	K633 T634 A635	S631-K633 PolarHBondContact O-N 3.16Å; S631-K633 VanDerWaalsContact O-N 3.1Å; S631-T634 WeakPolarHBondContact CA-OG1 3.4Å; S631-T634 WeakPolarHBondContact CB-OG1 3.32Å; S631-T634 PolarHBondContact N-OG1 3.41Å; S631-T634 PolarHBondContact O-N 3.16Å; S631-T634 PolarHBondContact O-OG1 2.72Å; S631-T634 PolarHBondContact OG-N 3.08Å; S631-T634 PolarHBondContact OG-OG1 3.01Å; S631-A635 PolarHBondContact O-N 2.65Å
632	R	86.7	Confident	81.4	Confident	149 Å²	149	62.6 Å²	62.6	56%	0.562	33%	0.332	S	S	*	.	H	α-helix	trans	-52.3	-36.3	175.9	-68.5	-173.3	-71.5	171.2	-3.4	112.9	A636	R632-A636 VanDerWaalsContact O-CB 3.31Å; R632-A636 WeakPolarHBondContact O-CB 3.43Å; R632-A636 PolarHBondContact O-N 3.47Å
633	K	90.9	Very high	82.3	Confident	129 Å²	129	61.6 Å²	61.6	56%	0.561	33%	0.325	S	S	*	.	H	α-helix	trans	-67.3	-42.8	178	-64.9	-178.4	-178.7	178	0	112	Y547 S631 A637	Y547-K633 HydrophobicContact CE2-CG 4.09Å; S631-K633 PolarHBondContact O-N 3.16Å; S631-K633 VanDerWaalsContact O-N 3.1Å; K633-A637 VanDerWaalsContact O-CB 3.31Å; K633-A637 WeakPolarHBondContact O-CB 3.18Å; K633-A637 PolarHBondContact O-N 3.33Å
634	T	90.6	Very high	83.6	Confident	67 Å²	67	61.4 Å²	61.4	41%	0.411	33%	0.325	S	S	.	.	H	α-helix	trans	-69.7	-37.5	178.6	38.6	0	0	0	0	112.1	M630 S631 A637 Y638	M630-T634 WeakPolarHBondContact CG-OG1 3.44Å; M630-T634 VanDerWaalsContact SD-C 3.5Å; S631-T634 WeakPolarHBondContact CA-OG1 3.4Å; S631-T634 WeakPolarHBondContact CB-OG1 3.32Å; S631-T634 PolarHBondContact N-OG1 3.41Å; S631-T634 PolarHBondContact O-N 3.16Å; S631-T634 PolarHBondContact O-OG1 2.72Å; S631-T634 PolarHBondContact OG-N 3.08Å; S631-T634 PolarHBondContact OG-OG1 3.01Å; T634-A637 PolarHBondContact O-N 3.45Å; T634-Y638 PolarHBondContact O-N 3.41Å
635	A	89.1	Confident	84.9	Confident	4 Å²	4	61 Å²	61	3%	0.033	32%	0.322	C	S	.	.	H	α-helix	trans	-65.4	-47.8	174.8	0	0	0	0	0	111.1	I553 M630 S631 A637 Y638 L639	I553-A635 HydrophobicContact CG1-CB 4.36Å; M630-A635 HydrophobicContact CG-CB 4.29Å; M630-A635 VanDerWaalsContact SD-CA 3.6Å; M630-A635 HydrophobicContact SD-CB 4.11Å; M630-A635 PolarHBondContact SD-N 3.06Å; M630-A635 VanDerWaalsContact SD-N 3.41Å; S631-A635 PolarHBondContact O-N 2.65Å; A635-A637 VanDerWaalsContact C-N 3.32Å; A635-A637 PolarHBondContact O-N 3.28Å; A635-Y638 PolarHBondContact O-N 3.44Å; A635-L639 WeakPolarHBondContact O-CG 3.37Å; A635-L639 PolarHBondContact O-N 2.85Å
636	A	91.7	Very high	86.3	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-59.7	-40.5	175	0	0	0	0	0	112.5	Y543 A546 R632 L639 A640	Y543-A636 VanDerWaalsContact CD2-C 3.49Å; Y543-A636 HydrophobicContact CD2-CB 3.7Å; Y543-A636 HydrophobicContact CE2-CB 3.68Å; Y543-A636 HydrophobicContact CG-CB 4.34Å; A546-A636 HydrophobicContact CB-CB 3.86Å; R632-A636 VanDerWaalsContact O-CB 3.31Å; R632-A636 WeakPolarHBondContact O-CB 3.43Å; R632-A636 PolarHBondContact O-N 3.47Å; A636-L639 PolarHBondContact O-N 3.08Å; A636-A640 WeakPolarHBondContact O-CB 3.47Å; A636-A640 PolarHBondContact O-N 2.99Å
637	A	92.5	Very high	87.7	Confident	33 Å²	33	52.4 Å²	52.4	27%	0.273	27%	0.268	S	S	.	.	H	α-helix	trans	-63.7	-44.1	175.6	0	0	0	0	0	112	Y543 K633 T634 A635 A640 F641	Y543-A637 HydrophobicContact CD2-CB 4.39Å; Y543-A637 HydrophobicContact CE2-CB 4.16Å; K633-A637 VanDerWaalsContact O-CB 3.31Å; K633-A637 WeakPolarHBondContact O-CB 3.18Å; K633-A637 PolarHBondContact O-N 3.33Å; T634-A637 PolarHBondContact O-N 3.45Å; A635-A637 VanDerWaalsContact C-N 3.32Å; A635-A637 PolarHBondContact O-N 3.28Å; A637-A640 PolarHBondContact O-N 2.99Å; A637-F641 VanDerWaalsContact O-CD2 3.26Å; A637-F641 WeakPolarHBondContact O-CD2 3.32Å; A637-F641 PolarHBondContact O-N 3.13Å; A637-F641 VanDerWaalsContact O-N 3.09Å
638	Y	91.6	Very high	89	Confident	21 Å²	21	52.1 Å²	52.1	8%	0.082	27%	0.266	C	S	.	.	H	α-helix	trans	-58.8	-50.4	174.6	172.8	-93.9	0	0	0	111.4	I553 I556 P615 I618 T634 A635 A640 F641 H642	I553-Y638 HydrophobicContact CB-CD1 4.39Å; I553-Y638 HydrophobicContact CD1-CD1 3.91Å; I553-Y638 HydrophobicContact CD1-CE1 4.48Å; I553-Y638 HydrophobicContact CD1-CG 3.96Å; I553-Y638 HydrophobicContact CG1-CD1 3.65Å; I553-Y638 HydrophobicContact CG1-CE1 4.24Å; I553-Y638 HydrophobicContact CG1-CG 4.15Å; I553-Y638 HydrophobicContact CG2-CD1 4.14Å; I553-Y638 HydrophobicContact CG2-CE1 3.82Å; I556-Y638 HydrophobicContact CG2-CE1 4.46Å; P615-Y638 PolarHBondContact O-OH 3.35Å; I618-Y638 HydrophobicContact CB-CD2 4.13Å; I618-Y638 HydrophobicContact CB-CE2 3.68Å; I618-Y638 HydrophobicContact CD1-CD2 4.11Å; I618-Y638 HydrophobicContact CD1-CE2 4.15Å; I618-Y638 HydrophobicContact CG2-CD2 3.53Å; I618-Y638 HydrophobicContact CG2-CE2 3.48Å; I618-Y638 VanDerWaalsContact CG2-CE2 3.48Å; I618-Y638 HydrophobicContact CG2-CG 4.37Å; T634-Y638 PolarHBondContact O-N 3.41Å; A635-Y638 PolarHBondContact O-N 3.44Å; Y638-A640 PolarHBondContact O-N 3.46Å; Y638-F641 PolarHBondContact O-N 3.28Å; Y638-H642 HydrophobicContact CD2-CB 4.24Å; Y638-H642 HydrophobicContact CE1-CB 4.18Å; Y638-H642 HydrophobicContact CE2-CB 3.83Å; Y638-H642 VanDerWaalsContact O-CB 3.27Å; Y638-H642 WeakPolarHBondContact O-CB 3.38Å; Y638-H642 PolarHBondContact O-N 2.99Å; Y638-H642 PolarHBondContact O-ND1 3.38Å; Y638-H642 VanDerWaalsContact O-ND1 3.16Å
639	L	90.9	Very high	90.5	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-59.1	-35.3	179.4	-67.1	178.5	0	0	0	112.2	T542 A546 F551 I556 I561 A635 A636 H642	T542-L639 HydrophobicContact CG2-CB 4.46Å; T542-L639 WeakPolarHBondContact CG2-O 3.42Å; A546-L639 HydrophobicContact CB-CB 4.43Å; A546-L639 HydrophobicContact CB-CD1 3.78Å; F551-L639 HydrophobicContact CB-CD1 3.98Å; I556-L639 HydrophobicContact CB-CD2 4.42Å; I556-L639 HydrophobicContact CG2-CD2 3.38Å; I561-L639 HydrophobicContact CD1-CD1 4.21Å; A635-L639 WeakPolarHBondContact O-CG 3.37Å; A635-L639 PolarHBondContact O-N 2.85Å; A636-L639 PolarHBondContact O-N 3.08Å; L639-H642 PolarHBondContact O-CE1 3.45Å; L639-H642 PolarHBondContact O-ND1 2.95Å
640	A	92.7	Very high	91.9	Very high	5 Å²	5	38.7 Å²	38.7	4%	0.041	20%	0.195	C	C	.	.	H	α-helix	trans	-69.8	-40.8	177.1	0	0	0	0	0	114.1	S539 A636 A637 Y638	S539-A640 VanDerWaalsContact O-CB 3.28Å; S539-A640 WeakPolarHBondContact O-CB 3.41Å; A636-A640 WeakPolarHBondContact O-CB 3.47Å; A636-A640 PolarHBondContact O-N 2.99Å; A637-A640 PolarHBondContact O-N 2.99Å; Y638-A640 PolarHBondContact O-N 3.46Å
641	F	93	Very high	92.9	Very high	115 Å²	115	35.5 Å²	35.5	50%	0.504	18%	0.181	S	C	.	.	H	α-helix	trans	-103.8	-18.8	-169.3	-70	-70.2	0	0	0	115.2	A637 Y638 R643 V644 S645	A637-F641 VanDerWaalsContact O-CD2 3.26Å; A637-F641 WeakPolarHBondContact O-CD2 3.32Å; A637-F641 PolarHBondContact O-N 3.13Å; A637-F641 VanDerWaalsContact O-N 3.09Å; Y638-F641 PolarHBondContact O-N 3.28Å; F641-R643 PolarHBondContact O-N 3.07Å; F641-V644 PolarHBondContact O-N 3.4Å; F641-V644 VanDerWaalsContact O-N 3.16Å; F641-S645 WeakPolarHBondContact O-CB 3.37Å; F641-S645 PolarHBondContact O-N 2.88Å
642	H	92.3	Very high	93.3	Very high	5 Å²	5	35 Å²	35	2%	0.023	17%	0.172	C	C	.	.	H	α-helix	trans	-58.4	-43.2	-173.2	76.2	-71.4	0	0	0	112.9	H394 P615 Y638 L639 F646	H394-H642 AromaticContact NE2-NE2 3.9Å; P615-H642 HydrophobicContact CB-CB 4.1Å; P615-H642 HydrophobicContact CG-CB 4.36Å; P615-H642 WeakPolarHBondContact CG-O 3.45Å; Y638-H642 HydrophobicContact CD2-CB 4.24Å; Y638-H642 HydrophobicContact CE1-CB 4.18Å; Y638-H642 HydrophobicContact CE2-CB 3.83Å; Y638-H642 VanDerWaalsContact O-CB 3.27Å; Y638-H642 WeakPolarHBondContact O-CB 3.38Å; Y638-H642 PolarHBondContact O-N 2.99Å; Y638-H642 PolarHBondContact O-ND1 3.38Å; Y638-H642 VanDerWaalsContact O-ND1 3.16Å; L639-H642 PolarHBondContact O-CE1 3.45Å; L639-H642 PolarHBondContact O-ND1 2.95Å; H642-F646 VanDerWaalsContact O-CB 3.23Å; H642-F646 WeakPolarHBondContact O-CB 3.08Å; H642-F646 PolarHBondContact O-N 3.46Å
643	R	93.2	Very high	93.7	Very high	13 Å²	13	29.4 Å²	29.4	5%	0.049	16%	0.156	C	C	.	.	H	α-helix	trans	-67.7	-40	177.3	-56.8	-171.4	-174.4	-68.8	-9.4	112.7	H394 L395 D398 F641 T647	H394-R643 PolarHBondContact O-NH1 3.47Å; L395-R643 HydrophobicContact CD2-CG 4.21Å; D398-R643 IonicContact OD2-CZ 3.6Å; D398-R643 IonicContact OD2-NH1 3.3Å; D398-R643 PolarHBondContact OD2-NH1 2.98Å; F641-R643 PolarHBondContact O-N 3.07Å; R643-T647 VanDerWaalsContact O-CB 3.27Å; R643-T647 WeakPolarHBondContact O-CB 3.24Å; R643-T647 PolarHBondContact O-N 3.49Å; R643-T647 PolarHBondContact O-OG1 2.82Å
644	V	95.2	Very high	93.9	Very high	22 Å²	22	23.4 Å²	23.4	13%	0.133	13%	0.13	C	C	.	.	H	α-helix	trans	-65.3	-49.1	179.1	172.4	0	0	0	0	109.6	I535 I574 F641 F646 T647 L648	I535-V644 HydrophobicContact CG2-CG1 4.2Å; I535-V644 HydrophobicContact CG2-CG2 4.27Å; I574-V644 HydrophobicContact CD1-CG1 4.16Å; F641-V644 PolarHBondContact O-N 3.4Å; F641-V644 VanDerWaalsContact O-N 3.16Å; V644-F646 PolarHBondContact O-N 3.48Å; V644-T647 PolarHBondContact O-N 2.86Å; V644-L648 HydrophobicContact CG1-CD1 3.88Å; V644-L648 HydrophobicContact CG1-CG 4.38Å; V644-L648 WeakPolarHBondContact O-CB 3.49Å; V644-L648 VanDerWaalsContact O-CG 3.23Å; V644-L648 WeakPolarHBondContact O-CG 3.4Å; V644-L648 PolarHBondContact O-N 2.98Å
645	S	95.4	Very high	94	Very high	15 Å²	15	22 Å²	22	11%	0.105	12%	0.118	C	C	.	.	H	α-helix	trans	-55.3	-53.8	174.2	179.5	0	0	0	0	111	L611 F641 T647 L648 G649	L611-S645 WeakPolarHBondContact CB-O 3.46Å; L611-S645 WeakPolarHBondContact CD2-OG 3.11Å; L611-S645 CarbonylContact O-C 3.53Å; L611-S645 PolarHBondContact O-OG 3.13Å; F641-S645 WeakPolarHBondContact O-CB 3.37Å; F641-S645 PolarHBondContact O-N 2.88Å; S645-T647 VanDerWaalsContact C-N 3.34Å; S645-T647 PolarHBondContact O-N 2.91Å; S645-L648 PolarHBondContact O-N 3.03Å; S645-G649 PolarHBondContact O-N 3.37Å
646	F	96	Very high	94.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-54.9	-49.1	179.4	176.3	-100.4	0	0	0	112.1	W357 L395 D398 I399 F612 P615 H642 V644 L648 G649 I650	W357-F646 HydrophobicContact CH2-CE2 4.04Å; W357-F646 HydrophobicContact CH2-CZ 4.04Å; W357-F646 HydrophobicContact CZ3-CE2 4.22Å; W357-F646 AromaticContact CZ3-CZ 3.83Å; W357-F646 HydrophobicContact CZ3-CZ 3.83Å; L395-F646 HydrophobicContact CB-CD1 4.25Å; L395-F646 HydrophobicContact CB-CE1 4.01Å; L395-F646 HydrophobicContact CB-CE2 4.29Å; L395-F646 HydrophobicContact CB-CZ 4.03Å; L395-F646 HydrophobicContact CD1-CD2 4Å; L395-F646 HydrophobicContact CD1-CE2 4.29Å; L395-F646 HydrophobicContact CD1-CG 4.25Å; L395-F646 HydrophobicContact CD2-CB 4.36Å; L395-F646 HydrophobicContact CD2-CD1 4.23Å; L395-F646 HydrophobicContact CD2-CG 4.21Å; L395-F646 WeakPolarHBondContact O-CE1 3.43Å; D398-F646 HydrophobicContact CB-CD1 4.32Å; D398-F646 HydrophobicContact CB-CE1 4.36Å; I399-F646 HydrophobicContact CD1-CE1 4.31Å; I399-F646 HydrophobicContact CD1-CZ 3.94Å; I399-F646 HydrophobicContact CG1-CE1 3.72Å; I399-F646 HydrophobicContact CG1-CZ 3.87Å; F612-F646 AromaticContact CD2-CD2 3.76Å; F612-F646 HydrophobicContact CD2-CD2 3.76Å; F612-F646 AromaticContact CD2-CE2 3.37Å; F612-F646 HydrophobicContact CD2-CE2 3.37Å; F612-F646 HydrophobicContact CD2-CZ 4.16Å; F612-F646 HydrophobicContact CE2-CD2 4.08Å; F612-F646 AromaticContact CE2-CE2 3.22Å; F612-F646 HydrophobicContact CE2-CE2 3.22Å; F612-F646 AromaticContact CE2-CZ 3.8Å; F612-F646 HydrophobicContact CE2-CZ 3.8Å; F612-F646 HydrophobicContact CG-CE2 4.39Å; F612-F646 HydrophobicContact CZ-CE2 4.14Å; P615-F646 HydrophobicContact CG-CB 4.15Å; H642-F646 VanDerWaalsContact O-CB 3.23Å; H642-F646 WeakPolarHBondContact O-CB 3.08Å; H642-F646 PolarHBondContact O-N 3.46Å; V644-F646 PolarHBondContact O-N 3.48Å; F646-L648 PolarHBondContact O-N 3.49Å; F646-G649 PolarHBondContact O-N 3.08Å; F646-I650 HydrophobicContact CE1-CG1 4.34Å; F646-I650 HydrophobicContact CZ-CG1 4.39Å; F646-I650 PolarHBondContact O-N 3.46Å; F646-I650 VanDerWaalsContact O-N 3.13Å
647	T	96.7	Very high	94.2	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	12%	0.12	C	C	.	.	H	α-helix	trans	-69.7	-34.5	-177.5	-51.8	0	0	0	0	112.3	F402 A571 I574 R643 V644 S645 I650 G651	F402-T647 HydrophobicContact CB-CG2 3.79Å; F402-T647 HydrophobicContact CD2-CG2 3.78Å; F402-T647 HydrophobicContact CG-CG2 4.12Å; A571-T647 HydrophobicContact CB-CG2 4.03Å; A571-T647 WeakPolarHBondContact CB-OG1 3.49Å; I574-T647 HydrophobicContact CB-CG2 4.02Å; I574-T647 HydrophobicContact CD1-CG2 4.08Å; I574-T647 HydrophobicContact CG2-CG2 3.97Å; R643-T647 VanDerWaalsContact O-CB 3.27Å; R643-T647 WeakPolarHBondContact O-CB 3.24Å; R643-T647 PolarHBondContact O-N 3.49Å; R643-T647 PolarHBondContact O-OG1 2.82Å; V644-T647 PolarHBondContact O-N 2.86Å; S645-T647 VanDerWaalsContact C-N 3.34Å; S645-T647 PolarHBondContact O-N 2.91Å; T647-I650 PolarHBondContact O-N 3.4Å; T647-G651 PolarHBondContact O-N 2.77Å
648	L	96.6	Very high	94.1	Very high	73 Å²	73	21.4 Å²	21.4	38%	0.382	11%	0.111	S	C	.	.	H	α-helix	trans	-63.2	-42	172.3	-75	171	0	0	0	111.4	I574 L611 V644 S645 F646 I650 G651 I652	I574-L648 HydrophobicContact CD1-CD2 4.19Å; I574-L648 HydrophobicContact CD1-CG 4.03Å; I574-L648 HydrophobicContact CG1-CD2 4.18Å; I574-L648 HydrophobicContact CG2-CD2 3.95Å; L611-L648 HydrophobicContact CD1-CB 4.13Å; V644-L648 HydrophobicContact CG1-CD1 3.88Å; V644-L648 HydrophobicContact CG1-CG 4.38Å; V644-L648 WeakPolarHBondContact O-CB 3.49Å; V644-L648 VanDerWaalsContact O-CG 3.23Å; V644-L648 WeakPolarHBondContact O-CG 3.4Å; V644-L648 PolarHBondContact O-N 2.98Å; S645-L648 PolarHBondContact O-N 3.03Å; F646-L648 PolarHBondContact O-N 3.49Å; L648-I650 VanDerWaalsContact C-N 3.33Å; L648-I650 PolarHBondContact O-N 3.23Å; L648-G651 PolarHBondContact O-N 2.82Å; L648-G651 VanDerWaalsContact O-N 3.15Å; L648-I652 WeakPolarHBondContact O-CG1 3.46Å; L648-I652 PolarHBondContact O-N 2.8Å
649	G	96.6	Very high	93.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.3	-42.9	175	0	0	0	0	0	112.6	A608 S645 F646 S653	A608-G649 WeakPolarHBondContact CB-O 3.21Å; S645-G649 PolarHBondContact O-N 3.37Å; F646-G649 PolarHBondContact O-N 3.08Å; G649-S653 WeakPolarHBondContact O-CB 3.43Å; G649-S653 PolarHBondContact O-N 2.93Å; G649-S653 VanDerWaalsContact O-N 3.14Å; G649-S653 PolarHBondContact O-OG 3.35Å
650	I	96.1	Very high	93.6	Very high	22 Å²	22	23.6 Å²	23.6	11%	0.113	14%	0.136	C	C	.	.	H	α-helix	trans	-64.2	-44.2	172.4	-63.8	-62.1	0	0	0	111.2	I399 F402 F612 F646 T647 L648 I652 S653 V654	I399-I650 HydrophobicContact CD1-CD1 4.49Å; I399-I650 HydrophobicContact CG1-CG1 4.36Å; I399-I650 HydrophobicContact CG2-CG2 4.47Å; F402-I650 HydrophobicContact CD1-CG2 3.84Å; F402-I650 HydrophobicContact CE1-CG2 4.03Å; F402-I650 HydrophobicContact CG-CG2 4.31Å; F612-I650 HydrophobicContact CD2-CD1 3.66Å; F612-I650 HydrophobicContact CD2-CG1 4.21Å; F612-I650 HydrophobicContact CE2-CD1 3.78Å; F646-I650 HydrophobicContact CE1-CG1 4.34Å; F646-I650 HydrophobicContact CZ-CG1 4.39Å; F646-I650 PolarHBondContact O-N 3.46Å; F646-I650 VanDerWaalsContact O-N 3.13Å; T647-I650 PolarHBondContact O-N 3.4Å; L648-I650 VanDerWaalsContact C-N 3.33Å; L648-I650 PolarHBondContact O-N 3.23Å; I650-I652 PolarHBondContact O-N 2.86Å; I650-S653 WeakPolarHBondContact O-CB 3.5Å; I650-S653 PolarHBondContact O-N 3.05Å; I650-V654 HydrophobicContact CG2-CG2 4.08Å; I650-V654 WeakPolarHBondContact O-CB 3.5Å; I650-V654 VanDerWaalsContact O-CG2 3.3Å; I650-V654 WeakPolarHBondContact O-CG2 3.48Å; I650-V654 PolarHBondContact O-N 3.33Å
651	G	96.6	Very high	93.3	Very high	4 Å²	4	25.2 Å²	25.2	4%	0.041	14%	0.141	C	C	.	.	H	α-helix	trans	-58.4	-47	179.4	0	0	0	0	0	113.4	F402 T647 L648 V654 Y655	F402-G651 VanDerWaalsContact CE2-CA 3.42Å; T647-G651 PolarHBondContact O-N 2.77Å; L648-G651 PolarHBondContact O-N 2.82Å; L648-G651 VanDerWaalsContact O-N 3.15Å; G651-V654 PolarHBondContact O-N 2.77Å; G651-Y655 VanDerWaalsContact O-CB 3.29Å; G651-Y655 WeakPolarHBondContact O-CB 3.49Å; G651-Y655 PolarHBondContact O-N 3.13Å
652	I	95.3	Very high	92.9	Very high	56 Å²	56	19.8 Å²	19.8	29%	0.287	12%	0.117	S	C	.	.	H	α-helix	trans	-60.8	-47	175.3	-65.1	165.4	0	0	0	110.2	V607 A608 L611 L648 I650 V654 Y655 L656	V607-I652 HydrophobicContact CG1-CD1 4.11Å; A608-I652 HydrophobicContact CB-CB 4.06Å; A608-I652 HydrophobicContact CB-CG2 3.94Å; L611-I652 HydrophobicContact CD1-CD1 3.98Å; L648-I652 WeakPolarHBondContact O-CG1 3.46Å; L648-I652 PolarHBondContact O-N 2.8Å; I650-I652 PolarHBondContact O-N 2.86Å; I652-V654 PolarHBondContact O-N 2.79Å; I652-Y655 PolarHBondContact O-N 2.89Å; I652-L656 HydrophobicContact CG2-CD1 3.93Å; I652-L656 HydrophobicContact CG2-CG 4.37Å; I652-L656 WeakPolarHBondContact O-CB 3.4Å; I652-L656 VanDerWaalsContact O-CG 3.3Å; I652-L656 WeakPolarHBondContact O-CG 3.28Å; I652-L656 PolarHBondContact O-N 3.17Å
653	S	94.5	Very high	92.6	Very high	31 Å²	31	26.2 Å²	26.2	22%	0.217	15%	0.145	C	C	.	.	H	α-helix	trans	-60.4	-45.5	-179.6	-59.6	0	0	0	0	112.1	A608 G649 I650 C657	A608-S653 WeakPolarHBondContact CB-OG 3.49Å; G649-S653 WeakPolarHBondContact O-CB 3.43Å; G649-S653 PolarHBondContact O-N 2.93Å; G649-S653 VanDerWaalsContact O-N 3.14Å; G649-S653 PolarHBondContact O-OG 3.35Å; I650-S653 WeakPolarHBondContact O-CB 3.5Å; I650-S653 PolarHBondContact O-N 3.05Å; S653-C657 PolarHBondContact O-N 3.39Å; S653-C657 VanDerWaalsContact O-N 3.08Å; S653-C657 PolarHBondContact O-SG 2.8Å
654	V	94.9	Very high	92.4	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-67.8	-42.6	179.8	168.5	0	0	0	0	110.9	F346 L347 I350 F402 L406 I650 G651 I652 C657 A658	F346-V654 HydrophobicContact CE2-CB 4.37Å; F346-V654 HydrophobicContact CE2-CG1 4Å; F346-V654 HydrophobicContact CE2-CG2 4.26Å; F346-V654 HydrophobicContact CZ-CG1 3.96Å; L347-V654 HydrophobicContact CD2-CG1 4.11Å; L347-V654 HydrophobicContact CD2-CG2 4.45Å; I350-V654 HydrophobicContact CD1-CG2 3.91Å; F402-V654 HydrophobicContact CE1-CB 3.97Å; F402-V654 HydrophobicContact CE1-CG1 3.98Å; F402-V654 HydrophobicContact CE1-CG2 3.82Å; F402-V654 HydrophobicContact CZ-CB 4.01Å; F402-V654 HydrophobicContact CZ-CG1 4.1Å; F402-V654 HydrophobicContact CZ-CG2 4.31Å; L406-V654 HydrophobicContact CD1-CG1 3.65Å; I650-V654 HydrophobicContact CG2-CG2 4.08Å; I650-V654 WeakPolarHBondContact O-CB 3.5Å; I650-V654 VanDerWaalsContact O-CG2 3.3Å; I650-V654 WeakPolarHBondContact O-CG2 3.48Å; I650-V654 PolarHBondContact O-N 3.33Å; G651-V654 PolarHBondContact O-N 2.77Å; I652-V654 PolarHBondContact O-N 2.79Å; V654-C657 PolarHBondContact O-N 2.95Å; V654-A658 VanDerWaalsContact O-CB 3.32Å; V654-A658 WeakPolarHBondContact O-CB 3.38Å; V654-A658 PolarHBondContact O-N 3.22Å
655	Y	93.5	Very high	92.1	Very high	38 Å²	38	32.2 Å²	32.2	15%	0.149	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-47.6	177	-174	-102.9	0	0	0	111.5	T578 L581 L582 L588 G651 I652 C657 A658 I659	T578-Y655 HydrophobicContact CG2-CD2 4.4Å; L581-Y655 HydrophobicContact CB-CD2 4.3Å; L581-Y655 HydrophobicContact CB-CE2 3.83Å; L582-Y655 HydrophobicContact CD2-CD2 3.48Å; L582-Y655 VanDerWaalsContact CD2-CD2 3.48Å; L582-Y655 HydrophobicContact CD2-CE2 3.69Å; L582-Y655 HydrophobicContact CD2-CG 4.5Å; L582-Y655 HydrophobicContact CG-CD2 3.9Å; L582-Y655 HydrophobicContact CG-CE2 4.19Å; L588-Y655 HydrophobicContact CD1-CE1 4.13Å; G651-Y655 VanDerWaalsContact O-CB 3.29Å; G651-Y655 WeakPolarHBondContact O-CB 3.49Å; G651-Y655 PolarHBondContact O-N 3.13Å; I652-Y655 PolarHBondContact O-N 2.89Å; Y655-C657 VanDerWaalsContact C-N 3.31Å; Y655-C657 PolarHBondContact O-N 3.06Å; Y655-A658 PolarHBondContact O-N 3.04Å; Y655-I659 HydrophobicContact CD1-CD1 4.38Å; Y655-I659 HydrophobicContact CD1-CG2 4.45Å; Y655-I659 HydrophobicContact CE1-CD1 4.14Å; Y655-I659 HydrophobicContact CE1-CG2 4.04Å; Y655-I659 HydrophobicContact CE2-CG2 4.08Å; Y655-I659 WeakPolarHBondContact O-CG1 3.3Å; Y655-I659 PolarHBondContact O-N 3.09Å
656	L	92.3	Very high	92	Very high	12 Å²	12	34 Å²	34	6%	0.063	19%	0.187	C	C	.	.	H	α-helix	trans	-60.3	-37.7	176.5	-71.3	175.2	0	0	0	112.9	Y605 I652 I659 W661 G662	Y605-L656 HydrophobicContact CD1-CD1 4.11Å; Y605-L656 HydrophobicContact CD2-CD1 4.06Å; Y605-L656 HydrophobicContact CE1-CB 4.33Å; Y605-L656 HydrophobicContact CE1-CD1 3.98Å; Y605-L656 HydrophobicContact CE2-CB 4.32Å; Y605-L656 HydrophobicContact CE2-CD1 3.95Å; Y605-L656 HydrophobicContact CG-CD1 4.13Å; I652-L656 HydrophobicContact CG2-CD1 3.93Å; I652-L656 HydrophobicContact CG2-CG 4.37Å; I652-L656 WeakPolarHBondContact O-CB 3.4Å; I652-L656 VanDerWaalsContact O-CG 3.3Å; I652-L656 WeakPolarHBondContact O-CG 3.28Å; I652-L656 PolarHBondContact O-N 3.17Å; L656-I659 HydrophobicContact CD2-CD1 4.23Å; L656-I659 WeakPolarHBondContact O-CG1 3.22Å; L656-W661 HydrophobicContact CD2-CE3 4.06Å; L656-W661 PolarHBondContact O-N 2.99Å; L656-G662 PolarHBondContact O-N 3.33Å
657	C	91.7	Very high	91.8	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.02	21%	0.209	C	C	.	.	H	α-helix	trans	-67.5	-45.2	174.6	-67.3	0	0	0	0	111.7	F346 Y605 S653 V654 Y655 G660	F346-C657 HydrophobicContact CD2-CB 4.15Å; F346-C657 HydrophobicContact CE1-CB 4.18Å; F346-C657 HydrophobicContact CE2-CB 3.79Å; F346-C657 HydrophobicContact CG-CB 4.49Å; F346-C657 HydrophobicContact CZ-CB 3.8Å; Y605-C657 PolarHBondContact OH-SG 3.38Å; S653-C657 PolarHBondContact O-N 3.39Å; S653-C657 VanDerWaalsContact O-N 3.08Å; S653-C657 PolarHBondContact O-SG 2.8Å; V654-C657 PolarHBondContact O-N 2.95Å; Y655-C657 VanDerWaalsContact C-N 3.31Å; Y655-C657 PolarHBondContact O-N 3.06Å; C657-G660 PolarHBondContact O-N 3.48Å; C657-G660 VanDerWaalsContact O-N 3.12Å
658	A	90.3	Very high	91.7	Very high	10 Å²	10	42.7 Å²	42.7	8%	0.083	24%	0.237	C	C	.	.	H	α-helix	trans	-66.7	-37.4	-176.2	0	0	0	0	0	113.1	I342 L344 F346 L582 V654 Y655 G660	I342-A658 HydrophobicContact CG2-CB 4.1Å; I342-A658 VanDerWaalsContact CG2-O 3.26Å; I342-A658 WeakPolarHBondContact CG2-O 3.28Å; L344-A658 HydrophobicContact CD2-CB 4.01Å; F346-A658 HydrophobicContact CE1-CB 4.24Å; F346-A658 HydrophobicContact CZ-CB 4.14Å; L582-A658 HydrophobicContact CD1-CB 4.11Å; L582-A658 HydrophobicContact CD2-CB 3.46Å; L582-A658 VanDerWaalsContact CD2-CB 3.46Å; L582-A658 HydrophobicContact CG-CB 4.46Å; V654-A658 VanDerWaalsContact O-CB 3.32Å; V654-A658 WeakPolarHBondContact O-CB 3.38Å; V654-A658 PolarHBondContact O-N 3.22Å; Y655-A658 PolarHBondContact O-N 3.04Å; A658-G660 PolarHBondContact O-N 3.24Å
659	I	88.1	Confident	91.6	Very high	17 Å²	17	42.1 Å²	42.1	9%	0.087	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-3.7	174.9	67.7	179	0	0	0	113.4	L582 L588 Y655 L656 W661	L582-I659 HydrophobicContact CD2-CG2 4.43Å; L588-I659 HydrophobicContact CD1-CD1 4.27Å; Y655-I659 HydrophobicContact CD1-CD1 4.38Å; Y655-I659 HydrophobicContact CD1-CG2 4.45Å; Y655-I659 HydrophobicContact CE1-CD1 4.14Å; Y655-I659 HydrophobicContact CE1-CG2 4.04Å; Y655-I659 HydrophobicContact CE2-CG2 4.08Å; Y655-I659 WeakPolarHBondContact O-CG1 3.3Å; Y655-I659 PolarHBondContact O-N 3.09Å; L656-I659 HydrophobicContact CD2-CD1 4.23Å; L656-I659 WeakPolarHBondContact O-CG1 3.22Å; I659-W661 HydrophobicContact CD1-CB 4.13Å; I659-W661 HydrophobicContact CD1-CD2 3.47Å; I659-W661 VanDerWaalsContact CD1-CD2 3.47Å; I659-W661 HydrophobicContact CD1-CE3 3.65Å; I659-W661 HydrophobicContact CD1-CG 3.7Å; I659-W661 HydrophobicContact CD1-CZ2 4.49Å; I659-W661 HydrophobicContact CD1-CZ3 4.24Å; I659-W661 HydrophobicContact CG1-CB 3.99Å; I659-W661 HydrophobicContact CG1-CD2 4.14Å; I659-W661 HydrophobicContact CG1-CG 3.8Å
660	G	85.1	Confident	91.4	Very high	51 Å²	51	43.6 Å²	43.6	53%	0.526	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	7.6	178.5	0	0	0	0	0	115.5	C657 A658	C657-G660 PolarHBondContact O-N 3.48Å; C657-G660 VanDerWaalsContact O-N 3.12Å; A658-G660 PolarHBondContact O-N 3.24Å
661	W	86.2	Confident	91.3	Very high	39 Å²	39	50 Å²	50	15%	0.148	27%	0.266	C	S	.	.	S	Bend	trans	-83.6	-19	177.8	-70.3	12.4	0	0	0	112.6	L588 M590 Q597 I600 V601 L656 I659	L588-W661 HydrophobicContact CB-CH2 4.14Å; L588-W661 HydrophobicContact CB-CZ2 3.82Å; L588-W661 HydrophobicContact CD1-CH2 4.2Å; M590-W661 HydrophobicContact CG-CH2 3.67Å; M590-W661 HydrophobicContact CG-CZ2 3.65Å; M590-W661 HydrophobicContact SD-CH2 4.22Å; Q597-W661 HydrophobicContact CG-CD2 4.17Å; Q597-W661 HydrophobicContact CG-CZ2 4.41Å; Q597-W661 VanDerWaalsContact NE2-NE1 3.2Å; I600-W661 HydrophobicContact CG2-CZ3 3.95Å; V601-W661 HydrophobicContact CG2-CB 3.63Å; V601-W661 HydrophobicContact CG2-CD2 3.93Å; V601-W661 HydrophobicContact CG2-CE3 3.51Å; V601-W661 HydrophobicContact CG2-CG 4.03Å; V601-W661 HydrophobicContact CG2-CZ3 4.45Å; L656-W661 HydrophobicContact CD2-CE3 4.06Å; L656-W661 PolarHBondContact O-N 2.99Å; I659-W661 HydrophobicContact CD1-CB 4.13Å; I659-W661 HydrophobicContact CD1-CD2 3.47Å; I659-W661 VanDerWaalsContact CD1-CD2 3.47Å; I659-W661 HydrophobicContact CD1-CE3 3.65Å; I659-W661 HydrophobicContact CD1-CG 3.7Å; I659-W661 HydrophobicContact CD1-CZ2 4.49Å; I659-W661 HydrophobicContact CD1-CZ3 4.24Å; I659-W661 HydrophobicContact CG1-CB 3.99Å; I659-W661 HydrophobicContact CG1-CD2 4.14Å; I659-W661 HydrophobicContact CG1-CG 3.8Å
662	G	84	Confident	91	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.01	29%	0.29	C	S	.	.			trans	-96.9	34.7	-179.2	0	0	0	0	0	116.5	Y605 L656 P664 I665 Y666	Y605-G662 WeakPolarHBondContact OH-CA 3.41Å; L656-G662 PolarHBondContact O-N 3.33Å; G662-P664 VanDerWaalsContact C-CD 3.44Å; G662-P664 VanDerWaalsContact O-N 3.17Å; G662-I665 PolarHBondContact O-N 3.38Å; G662-I665 VanDerWaalsContact O-N 3.13Å; G662-Y666 WeakPolarHBondContact O-CB 3.19Å; G662-Y666 PolarHBondContact O-N 3.16Å
663	K	86.3	Confident	90.9	Very high	140 Å²	140	52.4 Å²	52.4	61%	0.609	29%	0.292	S	S	*	.	H	α-helix	trans	-51.9	-40.8	-167	-163.6	172.5	-174.8	178.5	0	115.7	Y666 N667	K663-Y666 PolarHBondContact O-N 3.18Å; K663-N667 WeakPolarHBondContact O-CB 3.23Å; K663-N667 PolarHBondContact O-N 3.33Å; K663-N667 PolarHBondContact O-OD1 3.49Å
664	P	88.3	Confident	91	Very high	97 Å²	97	52.2 Å²	52.2	63%	0.63	29%	0.288	S	S	*	.	H	α-helix	trans	-61.1	-48.1	177.8	-24	34.9	0	0	0	112.9	G662 N667 T668	G662-P664 VanDerWaalsContact C-CD 3.44Å; G662-P664 VanDerWaalsContact O-N 3.17Å; P664-N667 PolarHBondContact O-N 3.44Å; P664-T668 PolarHBondContact O-N 3.24Å; P664-T668 PolarHBondContact O-OG1 3.31Å
665	I	90	Very high	90.9	Very high	64 Å²	64	54.8 Å²	54.8	33%	0.328	30%	0.297	S	S	.	.	H	α-helix	trans	-67.6	-43.7	179.3	-66.3	169	0	0	0	109.9	Y605 G662 N667 T668 F669	Y605-I665 HydrophobicContact CD1-CD1 3.89Å; Y605-I665 HydrophobicContact CE1-CD1 3.38Å; Y605-I665 HydrophobicContact CE2-CD1 4.35Å; G662-I665 PolarHBondContact O-N 3.38Å; G662-I665 VanDerWaalsContact O-N 3.13Å; I665-N667 VanDerWaalsContact C-N 3.34Å; I665-N667 PolarHBondContact O-N 2.88Å; I665-T668 PolarHBondContact O-N 2.05Å; I665-F669 HydrophobicContact CG2-CD2 3.7Å; I665-F669 HydrophobicContact CG2-CE2 3.94Å; I665-F669 WeakPolarHBondContact O-CD2 3.46Å; I665-F669 PolarHBondContact O-N 2.76Å; I665-F669 VanDerWaalsContact O-N 3.08Å
666	Y	92.6	Very high	91	Very high	53 Å²	53	55.3 Å²	55.3	21%	0.208	30%	0.304	C	S	.	.	H	α-helix	trans	-52.2	-52	174.4	176.5	-84.1	0	0	0	111.1	S343 T345 F346 G662 K663 T668 F669 A670	S343-Y666 PolarHBondContact OG-OH 3.13Å; T345-Y666 PolarHBondContact OG1-OH 3.45Å; F346-Y666 HydrophobicContact CB-CD2 4.06Å; F346-Y666 HydrophobicContact CB-CE2 4.37Å; F346-Y666 AromaticContact CD1-CD2 3.47Å; F346-Y666 HydrophobicContact CD1-CD2 3.47Å; F346-Y666 VanDerWaalsContact CD1-CD2 3.47Å; F346-Y666 AromaticContact CD1-CE2 3.56Å; F346-Y666 HydrophobicContact CD1-CE2 3.56Å; F346-Y666 HydrophobicContact CE1-CD2 4.2Å; F346-Y666 HydrophobicContact CE1-CE2 4.32Å; F346-Y666 AromaticContact CG-CD2 4Å; F346-Y666 HydrophobicContact CG-CD2 4Å; F346-Y666 HydrophobicContact CG-CE2 4.36Å; G662-Y666 WeakPolarHBondContact O-CB 3.19Å; G662-Y666 PolarHBondContact O-N 3.16Å; K663-Y666 PolarHBondContact O-N 3.18Å; Y666-T668 PolarHBondContact O-N 2.71Å; Y666-F669 PolarHBondContact O-N 2.9Å; Y666-A670 HydrophobicContact CD1-CB 4.2Å; Y666-A670 HydrophobicContact CE1-CB 3.9Å; Y666-A670 WeakPolarHBondContact O-CB 3.31Å; Y666-A670 PolarHBondContact O-N 3.27Å
667	N	92.2	Very high	91.2	Very high	88 Å²	88	56.6 Å²	56.6	47%	0.471	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-40.8	-176.9	-72.9	-9.4	0	0	0	112.5	K663 P664 I665	K663-N667 WeakPolarHBondContact O-CB 3.23Å; K663-N667 PolarHBondContact O-N 3.33Å; K663-N667 PolarHBondContact O-OD1 3.49Å; P664-N667 PolarHBondContact O-N 3.44Å; I665-N667 VanDerWaalsContact C-N 3.34Å; I665-N667 PolarHBondContact O-N 2.88Å
668	T	93.8	Very high	91.4	Very high	95 Å²	95	56.6 Å²	56.6	58%	0.583	31%	0.314	S	S	*	.	H	α-helix	trans	-62.5	-48	178.2	-58.8	0	0	0	0	111.3	P664 I665 Y666	P664-T668 PolarHBondContact O-N 3.24Å; P664-T668 PolarHBondContact O-OG1 3.31Å; I665-T668 PolarHBondContact O-N 2.05Å; Y666-T668 PolarHBondContact O-N 2.71Å
669	F	94.5	Very high	91.6	Very high	60 Å²	60	58.3 Å²	58.3	26%	0.263	32%	0.318	S	S	.	.	H	α-helix	trans	-82	-18.1	-177.5	-76.2	-76.1	0	0	0	113.7	F346 G349 I350 M353 I665 Y666 W671	F346-F669 HydrophobicContact CB-CB 3.94Å; F346-F669 WeakPolarHBondContact O-CB 3.44Å; G349-F669 WeakPolarHBondContact CA-O 3.27Å; G349-F669 PolarHBondContact N-O 3.11Å; I350-F669 HydrophobicContact CG1-CD1 3.94Å; I350-F669 HydrophobicContact CG1-CE1 4.22Å; I350-F669 HydrophobicContact CG1-CG 4.22Å; M353-F669 HydrophobicContact CB-CE1 4.46Å; M353-F669 HydrophobicContact CG-CE1 4Å; I665-F669 HydrophobicContact CG2-CD2 3.7Å; I665-F669 HydrophobicContact CG2-CE2 3.94Å; I665-F669 WeakPolarHBondContact O-CD2 3.46Å; I665-F669 PolarHBondContact O-N 2.76Å; I665-F669 VanDerWaalsContact O-N 3.08Å; Y666-F669 PolarHBondContact O-N 2.9Å; F669-W671 PolarHBondContact O-N 3.26Å
670	A	93.1	Very high	92.1	Very high	31 Å²	31	57.9 Å²	57.9	26%	0.256	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	8.6	173.6	0	0	0	0	0	113.2	F346 Y666 S672	F346-A670 HydrophobicContact CB-CB 4.23Å; Y666-A670 HydrophobicContact CD1-CB 4.2Å; Y666-A670 HydrophobicContact CE1-CB 3.9Å; Y666-A670 WeakPolarHBondContact O-CB 3.31Å; Y666-A670 PolarHBondContact O-N 3.27Å; A670-S672 PolarHBondContact O-N 2.87Å
671	W	93.3	Very high	92.6	Very high	158 Å²	158	55.9 Å²	55.9	60%	0.598	29%	0.293	S	S	*	.			trans	-56.4	130.9	176.5	178.8	51.3	0	0	0	111.5	F669 G673 F674	F669-W671 PolarHBondContact O-N 3.26Å; W671-G673 PolarHBondContact O-N 3.06Å; W671-F674 HydrophobicContact CB-CD2 3.97Å; W671-F674 HydrophobicContact CB-CE2 4.05Å; W671-F674 HydrophobicContact CE3-CD1 4.26Å; W671-F674 HydrophobicContact CE3-CD2 4.1Å; W671-F674 AromaticContact CE3-CE1 3.98Å; W671-F674 HydrophobicContact CE3-CE1 3.98Å; W671-F674 AromaticContact CE3-CE2 3.86Å; W671-F674 HydrophobicContact CE3-CE2 3.86Å; W671-F674 HydrophobicContact CE3-CG 4.29Å; W671-F674 AromaticContact CE3-CZ 3.77Å; W671-F674 HydrophobicContact CE3-CZ 3.77Å; W671-F674 HydrophobicContact CZ3-CE1 4.19Å; W671-F674 HydrophobicContact CZ3-CZ 4.3Å; W671-F674 PolarHBondContact O-N 3.26Å
672	S	92	Very high	93.1	Very high	77 Å²	77	56 Å²	56	54%	0.538	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-60	-23.7	-174.8	56	0	0	0	0	113.8	A670 F674 R675	A670-S672 PolarHBondContact O-N 2.87Å; S672-F674 PolarHBondContact O-N 3.49Å; S672-R675 WeakPolarHBondContact O-CB 3.46Å; S672-R675 PolarHBondContact O-N 3.17Å
673	G	92.7	Very high	93.8	Very high	32 Å²	32	55.9 Å²	55.9	33%	0.33	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-60.7	-28.3	175.2	0	0	0	0	0	113.6	W671 R675 P677	W671-G673 PolarHBondContact O-N 3.06Å; G673-R675 VanDerWaalsContact C-N 3.32Å; G673-R675 PolarHBondContact O-N 3.31Å; G673-P677 VanDerWaalsContact O-CD 3.28Å; G673-P677 WeakPolarHBondContact O-CD 2.89Å
674	F	95.3	Very high	94.3	Very high	28 Å²	28	49.2 Å²	49.2	12%	0.123	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-77.8	-13.7	178.9	-63.8	-47.6	0	0	0	114.2	D348 G349 C352 M353 W671 S672 V676 P677 A678	D348-F674 HydrophobicContact CB-CB 4.45Å; G349-F674 VanDerWaalsContact CA-CD2 3.41Å; C352-F674 HydrophobicContact CB-CD1 3.8Å; C352-F674 HydrophobicContact CB-CE1 4.4Å; C352-F674 HydrophobicContact CB-CG 4.44Å; C352-F674 PolarHBondContact SG-O 3.44Å; C352-F674 VanDerWaalsContact SG-O 3.35Å; M353-F674 HydrophobicContact CE-CE1 3.38Å; M353-F674 HydrophobicContact CE-CE2 4.48Å; M353-F674 HydrophobicContact CE-CZ 3.33Å; W671-F674 HydrophobicContact CB-CD2 3.97Å; W671-F674 HydrophobicContact CB-CE2 4.05Å; W671-F674 HydrophobicContact CE3-CD1 4.26Å; W671-F674 HydrophobicContact CE3-CD2 4.1Å; W671-F674 AromaticContact CE3-CE1 3.98Å; W671-F674 HydrophobicContact CE3-CE1 3.98Å; W671-F674 AromaticContact CE3-CE2 3.86Å; W671-F674 HydrophobicContact CE3-CE2 3.86Å; W671-F674 HydrophobicContact CE3-CG 4.29Å; W671-F674 AromaticContact CE3-CZ 3.77Å; W671-F674 HydrophobicContact CE3-CZ 3.77Å; W671-F674 HydrophobicContact CZ3-CE1 4.19Å; W671-F674 HydrophobicContact CZ3-CZ 4.3Å; W671-F674 PolarHBondContact O-N 3.26Å; S672-F674 PolarHBondContact O-N 3.49Å; F674-V676 PolarHBondContact O-N 3.15Å; F674-P677 WeakPolarHBondContact O-CD 3.44Å; F674-A678 WeakPolarHBondContact O-CB 3.14Å; F674-A678 PolarHBondContact O-N 2.74Å
675	R	93.3	Very high	94.8	Very high	56 Å²	56	45.1 Å²	45.1	21%	0.211	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-50.6	-173.1	-174.3	-170.8	-58.2	152.3	4.8	113.2	C327 S672 G673 R679	C327-R675 PolarHBondContact O-NH1 2.04Å; S672-R675 WeakPolarHBondContact O-CB 3.46Å; S672-R675 PolarHBondContact O-N 3.17Å; G673-R675 VanDerWaalsContact C-N 3.32Å; G673-R675 PolarHBondContact O-N 3.31Å; R675-R679 WeakPolarHBondContact O-CG 3.5Å; R675-R679 PolarHBondContact O-N 2.8Å
676	V	95.6	Very high	95.1	Very high	50 Å²	50	42.1 Å²	42.1	30%	0.303	22%	0.221	S	C	.	.	H	α-helix	trans	-68	-51	-176.4	171.5	0	0	0	0	110.4	L326 F674 A678 R679 L680	L326-V676 HydrophobicContact CD1-CG1 4.23Å; L326-V676 HydrophobicContact CD2-CG1 4Å; L326-V676 HydrophobicContact CG-CG1 4.09Å; F674-V676 PolarHBondContact O-N 3.15Å; V676-A678 VanDerWaalsContact C-N 3.31Å; V676-A678 PolarHBondContact O-N 2.94Å; V676-R679 PolarHBondContact O-N 2.7Å; V676-L680 HydrophobicContact CG1-CD1 4.22Å; V676-L680 PolarHBondContact O-N 3.2Å
677	P	96.7	Very high	95.3	Very high	38 Å²	38	40 Å²	40	25%	0.247	21%	0.213	C	C	.	.	H	α-helix	trans	-59.6	-38.5	176.2	-23.1	33.8	0	0	0	113.1	G673 F674 R679 L680 T681 Y722	G673-P677 VanDerWaalsContact O-CD 3.28Å; G673-P677 WeakPolarHBondContact O-CD 2.89Å; F674-P677 WeakPolarHBondContact O-CD 3.44Å; P677-R679 PolarHBondContact O-N 3.4Å; P677-L680 CarbonylContact O-C 3.54Å; P677-L680 PolarHBondContact O-N 3.09Å; P677-T681 PolarHBondContact O-N 2.92Å; P677-T681 PolarHBondContact O-OG1 2.93Å; P677-T681 VanDerWaalsContact O-OG1 3.05Å; P677-Y722 HydrophobicContact CB-CD1 4.22Å; P677-Y722 HydrophobicContact CB-CE1 3.67Å; P677-Y722 VanDerWaalsContact O-CE1 3.27Å; P677-Y722 WeakPolarHBondContact O-CE1 3.32Å
678	A	95.9	Very high	95.5	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.033	19%	0.191	C	C	.	.	H	α-helix	trans	-62.8	-29.2	178.8	0	0	0	0	0	114.1	D348 R351 C352 F674 V676 T681	D348-A678 HydrophobicContact CB-CB 3.43Å; D348-A678 VanDerWaalsContact CB-CB 3.43Å; D348-A678 WeakPolarHBondContact O-CB 3.33Å; R351-A678 HydrophobicContact CB-CB 4.46Å; C352-A678 PolarHBondContact SG-N 2.95Å; C352-A678 VanDerWaalsContact SG-N 3.42Å; F674-A678 WeakPolarHBondContact O-CB 3.14Å; F674-A678 PolarHBondContact O-N 2.74Å; V676-A678 VanDerWaalsContact C-N 3.31Å; V676-A678 PolarHBondContact O-N 2.94Å; A678-T681 WeakPolarHBondContact CA-OG1 3.13Å; A678-T681 PolarHBondContact O-OG1 2.94Å
679	R	94.9	Very high	95.6	Very high	46 Å²	46	31.3 Å²	31.3	17%	0.174	16%	0.163	C	C	.	.	H	α-helix	trans	-80.5	-20.8	175.8	-71	175.8	-177.1	-172.4	0.2	112.9	K325 L326 A328 R675 V676 P677	K325-R679 PolarHBondContact O-NH1 3.24Å; L326-R679 HydrophobicContact CD1-CB 3.65Å; L326-R679 WeakPolarHBondContact O-CD 3.39Å; L326-R679 PolarHBondContact O-NH1 3.41Å; A328-R679 PolarHBondContact O-NH1 3.24Å; A328-R679 PolarHBondContact O-NH2 3.2Å; R675-R679 WeakPolarHBondContact O-CG 3.5Å; R675-R679 PolarHBondContact O-N 2.8Å; V676-R679 PolarHBondContact O-N 2.7Å; P677-R679 PolarHBondContact O-N 3.4Å
680	L	97.3	Very high	95.6	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-95.6	-6.7	177.3	-64.3	178.2	0	0	0	113.1	L326 V676 P677 Y682 S683 A684 Y722 A725 S729	L326-L680 HydrophobicContact CD1-CD2 3.99Å; L326-L680 HydrophobicContact CD1-CG 4.02Å; L326-L680 HydrophobicContact CD2-CD1 4.35Å; L326-L680 HydrophobicContact CD2-CD2 4.24Å; L326-L680 HydrophobicContact CD2-CG 4.46Å; V676-L680 HydrophobicContact CG1-CD1 4.22Å; V676-L680 PolarHBondContact O-N 3.2Å; P677-L680 CarbonylContact O-C 3.54Å; P677-L680 PolarHBondContact O-N 3.09Å; L680-Y682 PolarHBondContact O-N 3.12Å; L680-Y682 VanDerWaalsContact O-N 3.12Å; L680-S683 PolarHBondContact O-N 3.43Å; L680-A684 WeakPolarHBondContact O-CB 3.39Å; L680-A684 PolarHBondContact O-N 3.34Å; L680-Y722 HydrophobicContact CB-CD1 3.96Å; L680-Y722 HydrophobicContact CB-CE1 4.02Å; L680-Y722 HydrophobicContact CD1-CD1 4.42Å; L680-A725 HydrophobicContact CB-CB 4.4Å; L680-S729 WeakPolarHBondContact CD2-OG 3.42Å
681	T	96.9	Very high	95.7	Very high	8 Å²	8	27.8 Å²	27.8	5%	0.049	14%	0.142	C	C	.	.	H	α-helix	trans	-54	-35.8	-173.6	-57.8	0	0	0	0	113.7	M355 F400 P677 A678 A684 Y685	M355-T681 HydrophobicContact CB-CG2 4.01Å; M355-T681 HydrophobicContact CG-CG2 4.1Å; M355-T681 HydrophobicContact SD-CG2 4.15Å; F400-T681 HydrophobicContact CE1-CG2 3.66Å; F400-T681 HydrophobicContact CZ-CG2 3.8Å; P677-T681 PolarHBondContact O-N 2.92Å; P677-T681 PolarHBondContact O-OG1 2.93Å; P677-T681 VanDerWaalsContact O-OG1 3.05Å; A678-T681 WeakPolarHBondContact CA-OG1 3.13Å; A678-T681 PolarHBondContact O-OG1 2.94Å; T681-A684 PolarHBondContact O-N 3.42Å; T681-Y685 VanDerWaalsContact O-CB 3.26Å; T681-Y685 WeakPolarHBondContact O-CB 3.28Å; T681-Y685 PolarHBondContact O-N 3.29Å
682	Y	96.6	Very high	95.8	Very high	41 Å²	41	20.3 Å²	20.3	16%	0.161	11%	0.114	C	C	.	.	H	α-helix	trans	-65.8	-52.9	178.1	175.2	-114.7	0	0	0	112.1	L440 A443 I502 L680 A684 Y685 L686 E733	L440-Y682 HydrophobicContact CB-CE1 4.46Å; L440-Y682 HydrophobicContact CD2-CD1 4.17Å; L440-Y682 HydrophobicContact CD2-CD2 3.97Å; L440-Y682 HydrophobicContact CD2-CE1 3.8Å; L440-Y682 HydrophobicContact CD2-CE2 3.62Å; L440-Y682 HydrophobicContact CD2-CG 4.24Å; L440-Y682 PolarHBondContact O-OH 2.7Å; A443-Y682 HydrophobicContact CB-CE1 3.9Å; I502-Y682 HydrophobicContact CD1-CE2 3.76Å; I502-Y682 HydrophobicContact CG1-CE2 4.24Å; L680-Y682 PolarHBondContact O-N 3.12Å; L680-Y682 VanDerWaalsContact O-N 3.12Å; Y682-A684 VanDerWaalsContact C-N 3.29Å; Y682-A684 PolarHBondContact O-N 2.7Å; Y682-Y685 WeakPolarHBondContact O-CB 3.4Å; Y682-Y685 PolarHBondContact O-N 3.05Å; Y682-Y685 VanDerWaalsContact O-N 3.16Å; Y682-L686 HydrophobicContact CD1-CD1 4.43Å; Y682-L686 HydrophobicContact CE1-CD1 3.81Å; Y682-L686 HydrophobicContact CE2-CD1 4.23Å; Y682-L686 HydrophobicContact CE2-CG 4.28Å; Y682-L686 PolarHBondContact O-N 3.28Å; Y682-L686 VanDerWaalsContact O-N 3.09Å; Y682-E733 HydrophobicContact CD1-CG 4.49Å; Y682-E733 WeakPolarHBondContact CD1-OE1 3.27Å
683	S	97.6	Very high	95.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.2	-39.1	173.8	-79.4	0	0	0	0	112.3	L680 Y685 L686 I687 A725 E733	L680-S683 PolarHBondContact O-N 3.43Å; S683-Y685 VanDerWaalsContact C-N 3.35Å; S683-L686 PolarHBondContact O-N 2.86Å; S683-I687 PolarHBondContact O-N 3.28Å; S683-A725 WeakPolarHBondContact CB-O 3.41Å; S683-E733 PolarHBondContact OG-OE1 3.31Å
684	A	98.1	Very high	95.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.6	-40.2	175.6	0	0	0	0	0	111.7	M355 L680 T681 Y682 L686 I687 H688 Y722 A725	M355-A684 HydrophobicContact CE-CB 4.26Å; L680-A684 WeakPolarHBondContact O-CB 3.39Å; L680-A684 PolarHBondContact O-N 3.34Å; T681-A684 PolarHBondContact O-N 3.42Å; Y682-A684 VanDerWaalsContact C-N 3.29Å; Y682-A684 PolarHBondContact O-N 2.7Å; A684-L686 VanDerWaalsContact C-N 3.34Å; A684-L686 PolarHBondContact O-N 2.72Å; A684-I687 PolarHBondContact O-N 3.24Å; A684-H688 VanDerWaalsContact O-CB 3.32Å; A684-H688 WeakPolarHBondContact O-CB 3.2Å; A684-H688 PolarHBondContact O-N 3.3Å; A684-Y722 HydrophobicContact CB-CD1 4.15Å; A684-Y722 HydrophobicContact CB-CE1 3.94Å; A684-A725 HydrophobicContact CB-CB 3.8Å; A684-A725 VanDerWaalsContact N-CB 3.31Å
685	Y	97.6	Very high	95.7	Very high	11 Å²	11	19.2 Å²	19.2	4%	0.043	9%	0.093	C	C	.	.	H	α-helix	trans	-61	-41.9	176	-179.1	-95.8	0	0	0	112.3	M355 I358 W498 Y501 I502 T681 Y682 S683 H688	M355-Y685 HydrophobicContact CE-CD2 4.5Å; M355-Y685 HydrophobicContact SD-CD2 4.21Å; I358-Y685 HydrophobicContact CD1-CD2 4.39Å; I358-Y685 HydrophobicContact CD1-CE2 4.28Å; I358-Y685 HydrophobicContact CG2-CD2 4.42Å; I358-Y685 HydrophobicContact CG2-CE2 4.23Å; W498-Y685 PolarHBondContact O-OH 3.07Å; Y501-Y685 WeakPolarHBondContact CB-OH 3.42Å; Y501-Y685 HydrophobicContact CD1-CE1 4.02Å; I502-Y685 HydrophobicContact CD1-CD1 4.02Å; I502-Y685 HydrophobicContact CD1-CE1 3.99Å; I502-Y685 HydrophobicContact CG1-CD1 4.32Å; I502-Y685 HydrophobicContact CG1-CE1 4.05Å; T681-Y685 VanDerWaalsContact O-CB 3.26Å; T681-Y685 WeakPolarHBondContact O-CB 3.28Å; T681-Y685 PolarHBondContact O-N 3.29Å; Y682-Y685 WeakPolarHBondContact O-CB 3.4Å; Y682-Y685 PolarHBondContact O-N 3.05Å; Y682-Y685 VanDerWaalsContact O-N 3.16Å; S683-Y685 VanDerWaalsContact C-N 3.35Å; Y685-H688 PolarHBondContact O-CE1 3.41Å; Y685-H688 PolarHBondContact O-ND1 3.02Å
686	L	96.9	Very high	95.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.2	-42	178.2	-72.6	175.6	0	0	0	112.8	A443 Y444 T447 W498 I502 Y682 S683 A684 L728	A443-L686 HydrophobicContact CB-CD1 3.8Å; Y444-L686 HydrophobicContact CD2-CD2 4.2Å; T447-L686 HydrophobicContact CG2-CB 4.23Å; W498-L686 PolarHBondContact NE1-O 3.37Å; I502-L686 HydrophobicContact CD1-CD2 3.5Å; I502-L686 HydrophobicContact CD1-CG 4.43Å; Y682-L686 HydrophobicContact CD1-CD1 4.43Å; Y682-L686 HydrophobicContact CE1-CD1 3.81Å; Y682-L686 HydrophobicContact CE2-CD1 4.23Å; Y682-L686 HydrophobicContact CE2-CG 4.28Å; Y682-L686 PolarHBondContact O-N 3.28Å; Y682-L686 VanDerWaalsContact O-N 3.09Å; S683-L686 PolarHBondContact O-N 2.86Å; A684-L686 VanDerWaalsContact C-N 3.34Å; A684-L686 PolarHBondContact O-N 2.72Å; L686-L728 HydrophobicContact CD1-CD2 4.37Å
687	I	96.8	Very high	95.4	Very high	9 Å²	9	16.3 Å²	16.3	5%	0.046	8%	0.08	C	C	.	.	H	α-helix	trans	-89.3	-29.6	-170.4	-69.2	-68.2	0	0	0	113.5	T447 S683 A684 P689 I690 I691 V724 L728	T447-I687 HydrophobicContact CG2-CD1 4.11Å; S683-I687 PolarHBondContact O-N 3.28Å; A684-I687 PolarHBondContact O-N 3.24Å; I687-P689 VanDerWaalsContact C-CD 3.4Å; I687-P689 VanDerWaalsContact C-N 3.35Å; I687-P689 VanDerWaalsContact O-N 3.14Å; I687-I690 HydrophobicContact CD1-CD1 4.33Å; I687-I690 WeakPolarHBondContact O-CA 3.15Å; I687-I690 VanDerWaalsContact O-CB 3.31Å; I687-I690 WeakPolarHBondContact O-CB 3.02Å; I687-I690 PolarHBondContact O-N 3.38Å; I687-I691 HydrophobicContact CG2-CD1 3.98Å; I687-I691 HydrophobicContact CG2-CG1 3.66Å; I687-I691 PolarHBondContact O-N 3.45Å; I687-V724 HydrophobicContact CD1-CG1 4.3Å; I687-V724 HydrophobicContact CG1-CG1 4.21Å; I687-V724 HydrophobicContact CG2-CB 3.91Å; I687-V724 HydrophobicContact CG2-CG1 3.71Å; I687-L728 HydrophobicContact CD1-CD2 4.17Å; I687-L728 HydrophobicContact CG1-CD2 3.73Å
688	H	97	Very high	95.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-53.7	-39.2	-170.3	82.4	-79.6	0	0	0	115.1	M355 I359 H362 A684 Y685 I690 I691 V692 S721	M355-H688 HydrophobicContact CE-CB 4.02Å; I359-H688 HydrophobicContact CD1-CB 4.46Å; I359-H688 HydrophobicContact CG1-CB 4.1Å; H362-H688 AromaticContact CE1-NE2 3.83Å; H362-H688 AromaticContact CG-NE2 3.58Å; H362-H688 AromaticContact ND1-NE2 3.42Å; H362-H688 PolarHBondContact ND1-NE2 3.21Å; A684-H688 VanDerWaalsContact O-CB 3.32Å; A684-H688 WeakPolarHBondContact O-CB 3.2Å; A684-H688 PolarHBondContact O-N 3.3Å; Y685-H688 PolarHBondContact O-CE1 3.41Å; Y685-H688 PolarHBondContact O-ND1 3.02Å; H688-I690 PolarHBondContact O-N 3.39Å; H688-I691 PolarHBondContact O-N 2.89Å; H688-I691 VanDerWaalsContact O-N 3.16Å; H688-V692 WeakPolarHBondContact O-CG2 3.34Å; H688-V692 PolarHBondContact O-N 3.07Å; H688-S721 WeakPolarHBondContact CA-OG 3.08Å; H688-S721 WeakPolarHBondContact CB-OG 3.33Å
689	P	95.2	Very high	94.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-72.4	-24.6	-178.1	-19.4	39	0	0	0	111.7	W498 I687 T693	W498-P689 HydrophobicContact CB-CG 4.26Å; W498-P689 HydrophobicContact CD2-CB 3.8Å; W498-P689 HydrophobicContact CD2-CG 3.55Å; W498-P689 HydrophobicContact CE3-CB 3.77Å; W498-P689 HydrophobicContact CE3-CG 4.04Å; W498-P689 HydrophobicContact CG-CB 4.39Å; W498-P689 HydrophobicContact CG-CG 3.66Å; W498-P689 HydrophobicContact CH2-CB 4.02Å; W498-P689 HydrophobicContact CZ2-CB 4Å; W498-P689 HydrophobicContact CZ2-CG 4.13Å; W498-P689 HydrophobicContact CZ3-CB 3.9Å; I687-P689 VanDerWaalsContact C-CD 3.4Å; I687-P689 VanDerWaalsContact C-N 3.35Å; I687-P689 VanDerWaalsContact O-N 3.14Å; P689-T693 WeakPolarHBondContact O-CB 3.34Å; P689-T693 PolarHBondContact O-N 2.65Å; P689-T693 PolarHBondContact O-OG1 3.16Å
690	I	94.9	Very high	94.4	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-69.1	-43.3	172.4	-50.5	-176.6	0	0	0	109.4	T447 F450 F451 L455 W498 I687 H688 T693 I694	T447-I690 HydrophobicContact CG2-CD1 3.72Å; F450-I690 HydrophobicContact CD1-CD1 4.17Å; F450-I690 HydrophobicContact CD1-CG2 4.31Å; F450-I690 HydrophobicContact CE1-CG2 3.88Å; F451-I690 HydrophobicContact CB-CD1 4.16Å; F451-I690 HydrophobicContact CD2-CD1 4Å; F451-I690 HydrophobicContact CD2-CG1 3.99Å; L455-I690 HydrophobicContact CD1-CG2 3.93Å; W498-I690 HydrophobicContact CH2-CG1 4.03Å; W498-I690 HydrophobicContact CZ2-CD1 4.35Å; W498-I690 HydrophobicContact CZ2-CG1 3.82Å; I687-I690 HydrophobicContact CD1-CD1 4.33Å; I687-I690 WeakPolarHBondContact O-CA 3.15Å; I687-I690 VanDerWaalsContact O-CB 3.31Å; I687-I690 WeakPolarHBondContact O-CB 3.02Å; I687-I690 PolarHBondContact O-N 3.38Å; H688-I690 PolarHBondContact O-N 3.39Å; I690-T693 WeakPolarHBondContact O-CB 3.33Å; I690-T693 PolarHBondContact O-N 2.85Å; I690-I694 HydrophobicContact CG2-CD1 4.16Å; I690-I694 VanDerWaalsContact O-CG1 3.3Å; I690-I694 WeakPolarHBondContact O-CG1 3.49Å; I690-I694 PolarHBondContact O-N 3.22Å
691	I	96.2	Very high	94	Very high	17 Å²	17	22.1 Å²	22.1	9%	0.087	12%	0.118	C	C	.	.	H	α-helix	trans	-63.7	-43.4	174.6	-55.8	-58.4	0	0	0	111.1	I687 H688 T693 I694 F695 T717 F720 V724	I687-I691 HydrophobicContact CG2-CD1 3.98Å; I687-I691 HydrophobicContact CG2-CG1 3.66Å; I687-I691 PolarHBondContact O-N 3.45Å; H688-I691 PolarHBondContact O-N 2.89Å; H688-I691 VanDerWaalsContact O-N 3.16Å; I691-T693 VanDerWaalsContact C-N 3.31Å; I691-T693 PolarHBondContact O-N 3.15Å; I691-I694 PolarHBondContact O-N 2.77Å; I691-F695 HydrophobicContact CG2-CD2 4.14Å; I691-F695 HydrophobicContact CG2-CE2 3.85Å; I691-F695 HydrophobicContact CG2-CZ 4.08Å; I691-F695 PolarHBondContact O-N 3.47Å; I691-T717 HydrophobicContact CB-CG2 4.43Å; I691-T717 HydrophobicContact CG2-CG2 4.14Å; I691-F720 HydrophobicContact CG2-CB 3.93Å; I691-V724 HydrophobicContact CD1-CG2 4.21Å
692	V	94.3	Very high	93.6	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-56.5	-47.8	173.2	172	0	0	0	0	110.2	I363 H366 H688 I694 F695 I696 T717	I363-V692 HydrophobicContact CG1-CG2 4.02Å; H366-V692 HydrophobicContact CB-CG1 3.73Å; H688-V692 WeakPolarHBondContact O-CG2 3.34Å; H688-V692 PolarHBondContact O-N 3.07Å; V692-I694 PolarHBondContact O-N 3.03Å; V692-F695 PolarHBondContact O-N 2.97Å; V692-I696 HydrophobicContact CG1-CD1 3.57Å; V692-I696 HydrophobicContact CG1-CG1 4.25Å; V692-I696 VanDerWaalsContact O-CB 3.3Å; V692-I696 WeakPolarHBondContact O-CB 2.99Å; V692-I696 WeakPolarHBondContact O-CG1 3.31Å; V692-I696 PolarHBondContact O-N 3.27Å; V692-T717 HydrophobicContact CG2-CG2 3.6Å
693	T	91.7	Very high	93	Very high	17 Å²	17	21.9 Å²	21.9	10%	0.104	12%	0.119	C	C	.	.	H	α-helix	trans	-60.7	-44.1	177.7	-57.2	0	0	0	0	111	P689 I690 I691 F695 N697	P689-T693 WeakPolarHBondContact O-CB 3.34Å; P689-T693 PolarHBondContact O-N 2.65Å; P689-T693 PolarHBondContact O-OG1 3.16Å; I690-T693 WeakPolarHBondContact O-CB 3.33Å; I690-T693 PolarHBondContact O-N 2.85Å; I691-T693 VanDerWaalsContact C-N 3.31Å; I691-T693 PolarHBondContact O-N 3.15Å; T693-F695 PolarHBondContact O-N 3.03Å; T693-N697 HydrophobicContact CG2-CB 4.28Å; T693-N697 WeakPolarHBondContact O-CA 3.27Å; T693-N697 WeakPolarHBondContact O-CB 3.39Å; T693-N697 PolarHBondContact O-N 2.92Å
694	I	93	Very high	92.6	Very high	30 Å²	30	27.2 Å²	27.2	15%	0.154	15%	0.147	C	C	.	.	H	α-helix	trans	-61.6	-44.9	178.2	-68.7	163.9	0	0	0	111.2	L455 I458 F464 I690 I691 V692 G698	L455-I694 HydrophobicContact CD1-CD1 4.36Å; L455-I694 HydrophobicContact CD1-CG1 3.99Å; I458-I694 HydrophobicContact CD1-CD1 4.27Å; I458-I694 HydrophobicContact CG2-CD1 4.48Å; F464-I694 HydrophobicContact CE2-CG1 4.35Å; I690-I694 HydrophobicContact CG2-CD1 4.16Å; I690-I694 VanDerWaalsContact O-CG1 3.3Å; I690-I694 WeakPolarHBondContact O-CG1 3.49Å; I690-I694 PolarHBondContact O-N 3.22Å; I691-I694 PolarHBondContact O-N 2.77Å; V692-I694 PolarHBondContact O-N 3.03Å; I694-G698 VanDerWaalsContact O-CA 3.28Å; I694-G698 WeakPolarHBondContact O-CA 3.43Å; I694-G698 PolarHBondContact O-N 2.93Å
695	F	92.6	Very high	92	Very high	66 Å²	66	27.7 Å²	27.7	29%	0.289	15%	0.149	S	C	.	.	H	α-helix	trans	-72.1	-40.6	-178.7	-72.3	-9.6	0	0	0	113.6	I691 V692 T693 F720	I691-F695 HydrophobicContact CG2-CD2 4.14Å; I691-F695 HydrophobicContact CG2-CE2 3.85Å; I691-F695 HydrophobicContact CG2-CZ 4.08Å; I691-F695 PolarHBondContact O-N 3.47Å; V692-F695 PolarHBondContact O-N 2.97Å; T693-F695 PolarHBondContact O-N 3.03Å; F695-F720 HydrophobicContact CE2-CB 4.43Å; F695-F720 AromaticContact CE2-CD2 3.81Å; F695-F720 HydrophobicContact CE2-CD2 3.81Å; F695-F720 HydrophobicContact CE2-CE2 4.4Å; F695-F720 HydrophobicContact CE2-CG 4.31Å; F695-F720 HydrophobicContact CZ-CB 4.13Å; F695-F720 HydrophobicContact CZ-CD1 4.35Å; F695-F720 AromaticContact CZ-CD2 3.38Å; F695-F720 HydrophobicContact CZ-CD2 3.38Å; F695-F720 AromaticContact CZ-CE2 3.77Å; F695-F720 HydrophobicContact CZ-CE2 3.77Å; F695-F720 AromaticContact CZ-CG 3.71Å; F695-F720 HydrophobicContact CZ-CG 3.71Å; F695-F720 HydrophobicContact CZ-CZ 4.4Å
696	I	91.6	Very high	91.5	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.031	17%	0.167	C	C	.	.	H	α-helix	trans	-79.4	-50	-177	-68.3	-176.2	0	0	0	110.4	H366 L370 V692 A699 F703	H366-I696 HydrophobicContact CB-CD1 3.84Å; L370-I696 HydrophobicContact CB-CG2 4.36Å; L370-I696 HydrophobicContact CD2-CG2 3.69Å; L370-I696 WeakPolarHBondContact CD2-O 3.36Å; V692-I696 HydrophobicContact CG1-CD1 3.57Å; V692-I696 HydrophobicContact CG1-CG1 4.25Å; V692-I696 VanDerWaalsContact O-CB 3.3Å; V692-I696 WeakPolarHBondContact O-CB 2.99Å; V692-I696 WeakPolarHBondContact O-CG1 3.31Å; V692-I696 PolarHBondContact O-N 3.27Å; I696-A699 VanDerWaalsContact O-CB 3.3Å; I696-A699 WeakPolarHBondContact O-CB 3.5Å; I696-A699 PolarHBondContact O-N 3.16Å; I696-F703 HydrophobicContact CG2-CD1 4.41Å; I696-F703 HydrophobicContact CG2-CE1 3.61Å; I696-F703 HydrophobicContact CG2-CZ 4.14Å
697	N	90.9	Very high	90.9	Very high	40 Å²	40	35 Å²	35	21%	0.214	19%	0.186	C	C	.	.	H	α-helix	trans	-81.9	-19.6	-176.3	-65.9	43	0	0	0	113	F463 F464 T693 A699	F463-N697 CarbonylContact C-O 3.6Å; F463-N697 VanDerWaalsContact C-O 3.28Å; F463-N697 HydrophobicContact CB-CB 4.28Å; F463-N697 WeakPolarHBondContact CB-O 3.06Å; F463-N697 WeakPolarHBondContact O-CB 3.46Å; F463-N697 PolarHBondContact O-ND2 3.41Å; F463-N697 VanDerWaalsContact O-ND2 3.1Å; F464-N697 WeakPolarHBondContact CA-O 3.11Å; F464-N697 HydrophobicContact CD2-CB 4.39Å; F464-N697 PolarHBondContact N-O 3.45Å; T693-N697 HydrophobicContact CG2-CB 4.28Å; T693-N697 WeakPolarHBondContact O-CA 3.27Å; T693-N697 WeakPolarHBondContact O-CB 3.39Å; T693-N697 PolarHBondContact O-N 2.92Å; N697-A699 PolarHBondContact O-N 3.28Å
698	G	90.2	Very high	90.5	Very high	8 Å²	8	40.7 Å²	40.7	8%	0.082	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-4.1	170.1	0	0	0	0	0	113.5	Y459 I694	Y459-G698 WeakPolarHBondContact CE1-O 3.41Å; I694-G698 VanDerWaalsContact O-CA 3.28Å; I694-G698 WeakPolarHBondContact O-CA 3.43Å; I694-G698 PolarHBondContact O-N 2.93Å
699	A	89.3	Confident	90.1	Very high	26 Å²	26	42 Å²	42	22%	0.215	22%	0.222	C	C	.	.			trans	-68.4	134.3	176.9	0	0	0	0	0	111	F463 I696 N697 T701	F463-A699 WeakPolarHBondContact CD2-O 3.46Å; I696-A699 VanDerWaalsContact O-CB 3.3Å; I696-A699 WeakPolarHBondContact O-CB 3.5Å; I696-A699 PolarHBondContact O-N 3.16Å; N697-A699 PolarHBondContact O-N 3.28Å; A699-T701 VanDerWaalsContact C-N 3.31Å; A699-T701 WeakPolarHBondContact CB-O 3.41Å
700	Q	88.7	Confident	89.8	Confident	87 Å²	87	42.2 Å²	42.2	41%	0.407	22%	0.223	S	C	.	.	S	Bend	trans	-76.2	-20.8	174.3	-68.5	-176.7	-17.3	0	0	112.9	D115 P462	D115-Q700 VanDerWaalsContact CG-NE2 3.32Å; D115-Q700 PolarHBondContact OD1-NE2 2.89Å; D115-Q700 VanDerWaalsContact OD1-NE2 3.14Å; D115-Q700 PolarHBondContact OD2-NE2 2.97Å; D115-Q700 PolarHBondContact OD2-OE1 2.89Å; P462-Q700 WeakPolarHBondContact CG-O 3.25Å
701	T	88.8	Confident	89.6	Confident	96 Å²	96	46 Å²	46	59%	0.589	25%	0.247	S	C	*	.	S	Bend	trans	-127.7	145.9	177.2	56.8	0	0	0	0	110.1	A699 F703	A699-T701 VanDerWaalsContact C-N 3.31Å; A699-T701 WeakPolarHBondContact CB-O 3.41Å; T701-F703 PolarHBondContact O-N 3.35Å
702	P	87.5	Confident	89.5	Confident	18 Å²	18	52.4 Å²	52.4	12%	0.117	27%	0.269	C	S	.	.			trans	-52.6	137.6	167.6	-25	34.4	0	0	0	110.7	H109 V111 N372 F463	H109-P702 HydrophobicContact CB-CB 4.29Å; H109-P702 HydrophobicContact CB-CG 3.64Å; V111-P702 HydrophobicContact CG1-CG 4.22Å; N372-P702 HydrophobicContact CB-CB 3.94Å; N372-P702 WeakPolarHBondContact ND2-CB 3.45Å; N372-P702 WeakPolarHBondContact ND2-CG 3.41Å; F463-P702 HydrophobicContact CE2-CG 4.15Å; F463-P702 HydrophobicContact CZ-CG 3.82Å
703	F	84.7	Confident	89.5	Confident	26 Å²	26	53.5 Å²	53.5	11%	0.114	28%	0.275	C	S	.	.			trans	-81.6	162.4	172.5	51.3	-81.3	0	0	0	110.1	G367 L370 T371 N372 I696 T701 I705	G367-F703 VanDerWaalsContact C-CZ 3.49Å; G367-F703 VanDerWaalsContact CA-CE2 3.43Å; G367-F703 WeakPolarHBondContact O-CE2 3.44Å; G367-F703 WeakPolarHBondContact O-CZ 3.45Å; L370-F703 VanDerWaalsContact C-CZ 3.45Å; L370-F703 HydrophobicContact CB-CE1 3.56Å; L370-F703 HydrophobicContact CB-CZ 3.71Å; L370-F703 HydrophobicContact CD2-CE1 3.93Å; L370-F703 HydrophobicContact CG-CE1 3.77Å; L370-F703 HydrophobicContact CG-CZ 4.41Å; T371-F703 WeakPolarHBondContact CA-O 3.3Å; T371-F703 PolarHBondContact OG1-O 3.12Å; T371-F703 VanDerWaalsContact OG1-O 3.1Å; N372-F703 PolarHBondContact N-O 3.03Å; N372-F703 VanDerWaalsContact N-O 3.16Å; I696-F703 HydrophobicContact CG2-CD1 4.41Å; I696-F703 HydrophobicContact CG2-CE1 3.61Å; I696-F703 HydrophobicContact CG2-CZ 4.14Å; T701-F703 PolarHBondContact O-N 3.35Å; F703-I705 HydrophobicContact CD2-CD1 4.4Å; F703-I705 HydrophobicContact CD2-CG1 3.63Å; F703-I705 HydrophobicContact CE2-CD1 3.79Å; F703-I705 HydrophobicContact CE2-CG1 3.52Å
704	I	88.1	Confident	89.6	Confident	112 Å²	112	53 Å²	53	57%	0.574	27%	0.272	S	S	*	.			trans	-109.4	117.9	170.5	-62.5	175.4	0	0	0	105.4	N373 D706	N373-I704 HydrophobicContact CB-CG2 4.13Å; N373-I704 WeakPolarHBondContact ND2-CG2 3.42Å; I704-D706 PolarHBondContact O-N 3.19Å
705	I	85.9	Confident	89.8	Confident	10 Å²	10	54.3 Å²	54.3	5%	0.051	29%	0.287	C	S	.	.			trans	-75.8	112.5	177.3	-64.5	178.1	0	0	0	108.7	L364 T371 N373 L377 F387 F703 V710	L364-I705 HydrophobicContact CD2-CG2 4.09Å; T371-I705 HydrophobicContact CG2-CD1 4.06Å; T371-I705 HydrophobicContact CG2-CG1 4.44Å; T371-I705 PolarHBondContact OG1-N 3.06Å; N373-I705 PolarHBondContact ND2-O 3.37Å; N373-I705 PolarHBondContact OD1-N 2.98Å; N373-I705 VanDerWaalsContact OD1-N 3.15Å; L377-I705 HydrophobicContact CD1-CB 4.18Å; L377-I705 HydrophobicContact CD1-CG2 3.65Å; L377-I705 HydrophobicContact CD2-CB 3.98Å; L377-I705 HydrophobicContact CD2-CD1 3.61Å; L377-I705 HydrophobicContact CD2-CG1 4.35Å; L377-I705 HydrophobicContact CD2-CG2 3.95Å; L377-I705 HydrophobicContact CG-CG2 4.44Å; F387-I705 HydrophobicContact CE1-CG2 4.34Å; F703-I705 HydrophobicContact CD2-CD1 4.4Å; F703-I705 HydrophobicContact CD2-CG1 3.63Å; F703-I705 HydrophobicContact CE2-CD1 3.79Å; F703-I705 HydrophobicContact CE2-CG1 3.52Å; I705-V710 HydrophobicContact CG2-CG2 3.78Å
706	D	86.4	Confident	90	Very high	77 Å²	77	52.9 Å²	52.9	41%	0.412	29%	0.285	S	S	.	.			trans	-129.4	178	164.3	74.6	4.7	0	0	0	110.6	I704 L708 E709 V710	I704-D706 PolarHBondContact O-N 3.19Å; D706-L708 VanDerWaalsContact C-N 3.32Å; D706-L708 PolarHBondContact O-N 3.15Å; D706-L708 PolarHBondContact OD1-N 2.95Å; D706-E709 PolarHBondContact O-N 3.47Å; D706-E709 WeakPolarHBondContact OD1-CA 3.39Å; D706-E709 WeakPolarHBondContact OD1-CB 3.39Å; D706-E709 PolarHBondContact OD1-N 3.38Å; D706-V710 WeakPolarHBondContact O-CG2 3.38Å; D706-V710 PolarHBondContact O-N 3.35Å; D706-V710 VanDerWaalsContact O-N 3.12Å
707	Q	84.7	Confident	90.3	Very high	89 Å²	89	52.7 Å²	52.7	42%	0.416	29%	0.285	S	S	.	.	H	α-helix	trans	-63.1	-40.7	-176.9	-65.9	-179.4	6.7	0	0	111.9	I384 F387 V711	I384-Q707 HydrophobicContact CD1-CG 4.26Å; I384-Q707 VanDerWaalsContact CD1-NE2 3.29Å; I384-Q707 HydrophobicContact CG2-CG 4.25Å; F387-Q707 HydrophobicContact CE1-CG 4.38Å; F387-Q707 HydrophobicContact CE2-CG 4.01Å; F387-Q707 HydrophobicContact CZ-CB 4.44Å; F387-Q707 HydrophobicContact CZ-CG 3.81Å; Q707-V711 VanDerWaalsContact O-CG2 3.31Å; Q707-V711 WeakPolarHBondContact O-CG2 3.43Å; Q707-V711 PolarHBondContact O-N 2.95Å; Q707-V711 VanDerWaalsContact O-N 3.11Å
708	L	88.5	Confident	90.6	Very high	128 Å²	128	51.7 Å²	51.7	67%	0.67	28%	0.28	S	S	*	.	H	α-helix	trans	-67.9	-41.3	-176.9	-179.9	60.1	0	0	0	110.5	D706 V711 R712	D706-L708 VanDerWaalsContact C-N 3.32Å; D706-L708 PolarHBondContact O-N 3.15Å; D706-L708 PolarHBondContact OD1-N 2.95Å; L708-V711 PolarHBondContact O-N 3.25Å; L708-R712 VanDerWaalsContact O-CB 3.25Å; L708-R712 WeakPolarHBondContact O-CB 3.15Å; L708-R712 PolarHBondContact O-N 2.87Å
709	E	88.8	Confident	91	Very high	28 Å²	28	55.4 Å²	55.4	13%	0.131	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-44.8	178.7	-173.3	58.2	-159.1	0	0	111.6	D706 V711 R712 L713	D706-E709 PolarHBondContact O-N 3.47Å; D706-E709 WeakPolarHBondContact OD1-CA 3.39Å; D706-E709 WeakPolarHBondContact OD1-CB 3.39Å; D706-E709 PolarHBondContact OD1-N 3.38Å; E709-V711 VanDerWaalsContact C-N 3.33Å; E709-V711 PolarHBondContact O-N 3.2Å; E709-R712 PolarHBondContact O-N 3.39Å; E709-R712 IonicContact OE1-CZ 3.71Å; E709-R712 IonicContact OE1-NE 3.18Å; E709-R712 IonicContact OE1-NH2 3.62Å; E709-R712 PolarHBondContact OE1-NH2 3.31Å; E709-R712 IonicContact OE2-CZ 3.21Å; E709-R712 IonicContact OE2-NE 3.81Å; E709-R712 PolarHBondContact OE2-NE 3.17Å; E709-R712 IonicContact OE2-NH2 2.68Å; E709-R712 PolarHBondContact OE2-NH2 3.33Å; E709-L713 HydrophobicContact CG-CD1 3.99Å; E709-L713 HydrophobicContact CG-CG 4.43Å; E709-L713 WeakPolarHBondContact O-CB 3.23Å; E709-L713 WeakPolarHBondContact O-CG 3.49Å; E709-L713 PolarHBondContact O-N 3.34Å; E709-L713 WeakPolarHBondContact OE1-CD1 3.33Å; E709-L713 WeakPolarHBondContact OE1-CG 3.38Å
710	V	89.3	Confident	91.4	Very high	4 Å²	4	59 Å²	59	2%	0.024	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-42.5	176.6	172.8	0	0	0	0	111	L364 F387 Y390 I705 D706 T714	L364-V710 HydrophobicContact CD2-CG1 4.43Å; L364-V710 HydrophobicContact CD2-CG2 3.65Å; F387-V710 HydrophobicContact CE1-CG2 4Å; Y390-V710 HydrophobicContact CD1-CG1 3.81Å; Y390-V710 HydrophobicContact CD2-CG1 4.41Å; Y390-V710 HydrophobicContact CE1-CG1 3.59Å; Y390-V710 HydrophobicContact CE2-CG1 4.24Å; Y390-V710 HydrophobicContact CG-CG1 4.23Å; I705-V710 HydrophobicContact CG2-CG2 3.78Å; D706-V710 WeakPolarHBondContact O-CG2 3.38Å; D706-V710 PolarHBondContact O-N 3.35Å; D706-V710 VanDerWaalsContact O-N 3.12Å; V710-T714 VanDerWaalsContact O-CB 3.22Å; V710-T714 WeakPolarHBondContact O-CB 3.11Å; V710-T714 PolarHBondContact O-N 3.36Å; V710-T714 PolarHBondContact O-OG1 3.45Å
711	V	91.1	Very high	91.8	Very high	81 Å²	81	54.9 Å²	54.9	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-64.9	-44.8	176.3	171.9	0	0	0	0	111	Q707 L708 E709 T714 A715	Q707-V711 VanDerWaalsContact O-CG2 3.31Å; Q707-V711 WeakPolarHBondContact O-CG2 3.43Å; Q707-V711 PolarHBondContact O-N 2.95Å; Q707-V711 VanDerWaalsContact O-N 3.11Å; L708-V711 PolarHBondContact O-N 3.25Å; E709-V711 VanDerWaalsContact C-N 3.33Å; E709-V711 PolarHBondContact O-N 3.2Å; V711-T714 PolarHBondContact O-N 3.3Å; V711-A715 WeakPolarHBondContact O-CB 3.3Å; V711-A715 PolarHBondContact O-N 3.1Å
712	R	93.8	Very high	92.3	Very high	150 Å²	150	51.9 Å²	51.9	57%	0.566	27%	0.271	S	S	*	.	H	α-helix	trans	-59.2	-51	178.5	-176.6	178.6	73.7	126.7	-4.1	111.5	L708 E709 A715 S716	L708-R712 VanDerWaalsContact O-CB 3.25Å; L708-R712 WeakPolarHBondContact O-CB 3.15Å; L708-R712 PolarHBondContact O-N 2.87Å; E709-R712 PolarHBondContact O-N 3.39Å; E709-R712 IonicContact OE1-CZ 3.71Å; E709-R712 IonicContact OE1-NE 3.18Å; E709-R712 IonicContact OE1-NH2 3.62Å; E709-R712 PolarHBondContact OE1-NH2 3.31Å; E709-R712 IonicContact OE2-CZ 3.21Å; E709-R712 IonicContact OE2-NE 3.81Å; E709-R712 PolarHBondContact OE2-NE 3.17Å; E709-R712 IonicContact OE2-NH2 2.68Å; E709-R712 PolarHBondContact OE2-NH2 3.33Å; R712-A715 PolarHBondContact O-N 3.45Å; R712-S716 PolarHBondContact O-N 3.21Å; R712-S716 PolarHBondContact O-OG 2.75Å
713	L	93.6	Very high	92.8	Very high	24 Å²	24	55.5 Å²	55.5	13%	0.126	29%	0.288	C	S	.	.	H	α-helix	trans	-66.9	-37.1	178.6	-71.2	174.2	0	0	0	112.1	I363 E709 S716 T717	I363-L713 VanDerWaalsContact CD1-C 3.48Å; I363-L713 HydrophobicContact CD1-CB 4.04Å; I363-L713 WeakPolarHBondContact CD1-O 3.43Å; I363-L713 HydrophobicContact CG2-CB 4.02Å; I363-L713 HydrophobicContact CG2-CD1 4.08Å; E709-L713 HydrophobicContact CG-CD1 3.99Å; E709-L713 HydrophobicContact CG-CG 4.43Å; E709-L713 WeakPolarHBondContact O-CB 3.23Å; E709-L713 WeakPolarHBondContact O-CG 3.49Å; E709-L713 PolarHBondContact O-N 3.34Å; E709-L713 WeakPolarHBondContact OE1-CD1 3.33Å; E709-L713 WeakPolarHBondContact OE1-CG 3.38Å; L713-S716 WeakPolarHBondContact CA-OG 3.42Å; L713-S716 PolarHBondContact O-OG 3.29Å; L713-T717 WeakPolarHBondContact O-CB 3.32Å; L713-T717 PolarHBondContact O-N 3.47Å; L713-T717 PolarHBondContact O-OG1 2.82Å
714	T	94.8	Very high	93.4	Very high	8 Å²	8	56.5 Å²	56.5	5%	0.049	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-45.3	176.4	-59.2	0	0	0	0	110.4	I356 I359 V710 V711 T718	I356-T714 HydrophobicContact CG2-CG2 4.03Å; I359-T714 HydrophobicContact CG2-CG2 4.44Å; V710-T714 VanDerWaalsContact O-CB 3.22Å; V710-T714 WeakPolarHBondContact O-CB 3.11Å; V710-T714 PolarHBondContact O-N 3.36Å; V710-T714 PolarHBondContact O-OG1 3.45Å; V711-T714 PolarHBondContact O-N 3.3Å; T714-T718 VanDerWaalsContact O-CB 3.23Å; T714-T718 WeakPolarHBondContact O-CB 3.33Å; T714-T718 PolarHBondContact O-N 3.08Å; T714-T718 PolarHBondContact O-OG1 2.96Å
715	A	96.1	Very high	93.9	Very high	56 Å²	56	51.1 Å²	51.1	46%	0.463	27%	0.269	S	S	.	.	H	α-helix	trans	-63.8	-49.9	178.4	0	0	0	0	0	111.8	V711 R712 T718 V719	V711-A715 WeakPolarHBondContact O-CB 3.3Å; V711-A715 PolarHBondContact O-N 3.1Å; R712-A715 PolarHBondContact O-N 3.45Å; A715-T718 PolarHBondContact O-N 3.04Å; A715-V719 WeakPolarHBondContact O-CG2 3.44Å; A715-V719 PolarHBondContact O-N 3.21Å; A715-V719 VanDerWaalsContact O-N 3.14Å
716	S	96.8	Very high	94.5	Very high	36 Å²	36	54 Å²	54	25%	0.252	28%	0.279	S	S	.	.	H	α-helix	trans	-62.7	-51.1	179.6	65.5	0	0	0	0	111.3	R712 L713 T718 V719 F720	R712-S716 PolarHBondContact O-N 3.21Å; R712-S716 PolarHBondContact O-OG 2.75Å; L713-S716 WeakPolarHBondContact CA-OG 3.42Å; L713-S716 PolarHBondContact O-OG 3.29Å; S716-T718 VanDerWaalsContact C-N 3.26Å; S716-T718 PolarHBondContact O-N 2.9Å; S716-V719 PolarHBondContact O-N 3.38Å; S716-V719 VanDerWaalsContact O-N 3.1Å; S716-F720 VanDerWaalsContact O-CD2 3.26Å; S716-F720 WeakPolarHBondContact O-CD2 3.44Å; S716-F720 PolarHBondContact O-N 2.8Å
717	T	97.6	Very high	95	Very high	2 Å²	2	55 Å²	55	1%	0.012	28%	0.284	C	S	.	.	H	α-helix	trans	-58.8	-39.8	-179.8	-57.3	0	0	0	0	111.4	I359 I691 V692 L713 S721	I359-T717 HydrophobicContact CG2-CG2 3.65Å; I691-T717 HydrophobicContact CB-CG2 4.43Å; I691-T717 HydrophobicContact CG2-CG2 4.14Å; V692-T717 HydrophobicContact CG2-CG2 3.6Å; L713-T717 WeakPolarHBondContact O-CB 3.32Å; L713-T717 PolarHBondContact O-N 3.47Å; L713-T717 PolarHBondContact O-OG1 2.82Å; T717-S721 WeakPolarHBondContact O-CB 3.24Å; T717-S721 PolarHBondContact O-N 3.39Å; T717-S721 PolarHBondContact O-OG 2.57Å
718	T	98	Very high	95.6	Very high	20 Å²	20	51.2 Å²	51.2	12%	0.123	27%	0.266	C	S	.	.	H	α-helix	trans	-59.5	-50.7	175.6	-62.1	0	0	0	0	111	I356 I359 T714 A715 S716 S721 Y722	I356-T718 HydrophobicContact CG1-CG2 4.08Å; I359-T718 HydrophobicContact CD1-CG2 4.45Å; T714-T718 VanDerWaalsContact O-CB 3.23Å; T714-T718 WeakPolarHBondContact O-CB 3.33Å; T714-T718 PolarHBondContact O-N 3.08Å; T714-T718 PolarHBondContact O-OG1 2.96Å; A715-T718 PolarHBondContact O-N 3.04Å; S716-T718 VanDerWaalsContact C-N 3.26Å; S716-T718 PolarHBondContact O-N 2.9Å; T718-S721 PolarHBondContact O-N 3.39Å; T718-Y722 HydrophobicContact CG2-CD2 3.82Å; T718-Y722 HydrophobicContact CG2-CE2 3.94Å; T718-Y722 VanDerWaalsContact O-CD2 3.28Å; T718-Y722 WeakPolarHBondContact O-CD2 3.19Å; T718-Y722 PolarHBondContact O-N 3.33Å
719	V	97.8	Very high	96	Very high	86 Å²	86	45.1 Å²	45.1	52%	0.521	23%	0.234	S	C	.	.	H	α-helix	trans	-60.4	-51.5	-179.1	172.7	0	0	0	0	111.2	A715 S716 S721 Y722 I723	A715-V719 WeakPolarHBondContact O-CG2 3.44Å; A715-V719 PolarHBondContact O-N 3.21Å; A715-V719 VanDerWaalsContact O-N 3.14Å; S716-V719 PolarHBondContact O-N 3.38Å; S716-V719 VanDerWaalsContact O-N 3.1Å; V719-S721 PolarHBondContact O-N 2.87Å; V719-Y722 PolarHBondContact O-N 3.27Å; V719-I723 HydrophobicContact CG1-CD1 3.89Å; V719-I723 WeakPolarHBondContact O-CG1 3.12Å; V719-I723 PolarHBondContact O-N 3.48Å
720	F	98	Very high	96.3	Very high	102 Å²	102	44 Å²	44	45%	0.447	23%	0.229	S	C	.	.	H	α-helix	trans	-65.1	-38.9	-179.2	-78.2	-82.4	0	0	0	112.5	I691 F695 S716 Y722 I723 V724	I691-F720 HydrophobicContact CG2-CB 3.93Å; F695-F720 HydrophobicContact CE2-CB 4.43Å; F695-F720 AromaticContact CE2-CD2 3.81Å; F695-F720 HydrophobicContact CE2-CD2 3.81Å; F695-F720 HydrophobicContact CE2-CE2 4.4Å; F695-F720 HydrophobicContact CE2-CG 4.31Å; F695-F720 HydrophobicContact CZ-CB 4.13Å; F695-F720 HydrophobicContact CZ-CD1 4.35Å; F695-F720 AromaticContact CZ-CD2 3.38Å; F695-F720 HydrophobicContact CZ-CD2 3.38Å; F695-F720 AromaticContact CZ-CE2 3.77Å; F695-F720 HydrophobicContact CZ-CE2 3.77Å; F695-F720 AromaticContact CZ-CG 3.71Å; F695-F720 HydrophobicContact CZ-CG 3.71Å; F695-F720 HydrophobicContact CZ-CZ 4.4Å; S716-F720 VanDerWaalsContact O-CD2 3.26Å; S716-F720 WeakPolarHBondContact O-CD2 3.44Å; S716-F720 PolarHBondContact O-N 2.8Å; F720-Y722 VanDerWaalsContact C-N 3.33Å; F720-Y722 PolarHBondContact O-N 3.18Å; F720-I723 PolarHBondContact O-N 3.35Å; F720-V724 WeakPolarHBondContact O-CG2 3.43Å; F720-V724 PolarHBondContact O-N 3.47Å
721	S	98.3	Very high	96.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.2	-41.4	176.1	-60.9	0	0	0	0	111.7	H688 T717 T718 V719 A725	H688-S721 WeakPolarHBondContact CA-OG 3.08Å; H688-S721 WeakPolarHBondContact CB-OG 3.33Å; T717-S721 WeakPolarHBondContact O-CB 3.24Å; T717-S721 PolarHBondContact O-N 3.39Å; T717-S721 PolarHBondContact O-OG 2.57Å; T718-S721 PolarHBondContact O-N 3.39Å; V719-S721 PolarHBondContact O-N 2.87Å; S721-A725 WeakPolarHBondContact O-CB 3.25Å; S721-A725 PolarHBondContact O-N 3.24Å
722	Y	98.3	Very high	96.8	Very high	33 Å²	33	41 Å²	41	13%	0.129	21%	0.211	C	C	.	.	H	α-helix	trans	-72.4	-31.7	178.3	-86.3	-71.2	0	0	0	113.6	P677 L680 A684 T718 V719 F720 Y726	P677-Y722 HydrophobicContact CB-CD1 4.22Å; P677-Y722 HydrophobicContact CB-CE1 3.67Å; P677-Y722 VanDerWaalsContact O-CE1 3.27Å; P677-Y722 WeakPolarHBondContact O-CE1 3.32Å; L680-Y722 HydrophobicContact CB-CD1 3.96Å; L680-Y722 HydrophobicContact CB-CE1 4.02Å; L680-Y722 HydrophobicContact CD1-CD1 4.42Å; A684-Y722 HydrophobicContact CB-CD1 4.15Å; A684-Y722 HydrophobicContact CB-CE1 3.94Å; T718-Y722 HydrophobicContact CG2-CD2 3.82Å; T718-Y722 HydrophobicContact CG2-CE2 3.94Å; T718-Y722 VanDerWaalsContact O-CD2 3.28Å; T718-Y722 WeakPolarHBondContact O-CD2 3.19Å; T718-Y722 PolarHBondContact O-N 3.33Å; V719-Y722 PolarHBondContact O-N 3.27Å; F720-Y722 VanDerWaalsContact C-N 3.33Å; F720-Y722 PolarHBondContact O-N 3.18Å; Y722-Y726 PolarHBondContact O-N 2.88Å
723	I	98	Very high	96.8	Very high	93 Å²	93	34.5 Å²	34.5	48%	0.477	19%	0.187	S	C	.	.	H	α-helix	trans	-64.1	-48.9	172.8	-68.2	166.6	0	0	0	110.2	V719 F720 Y726 I727	V719-I723 HydrophobicContact CG1-CD1 3.89Å; V719-I723 WeakPolarHBondContact O-CG1 3.12Å; V719-I723 PolarHBondContact O-N 3.48Å; F720-I723 PolarHBondContact O-N 3.35Å; I723-Y726 WeakPolarHBondContact O-CB 3.2Å; I723-Y726 PolarHBondContact O-N 3.5Å; I723-I727 PolarHBondContact O-N 3.46Å
724	V	97.6	Very high	96.8	Very high	47 Å²	47	34.9 Å²	34.9	29%	0.285	19%	0.187	S	C	.	.	H	α-helix	trans	-70.9	-35.3	179.4	-177.7	0	0	0	0	111.2	I687 I691 F720 Y726 I727 L728	I687-V724 HydrophobicContact CD1-CG1 4.3Å; I687-V724 HydrophobicContact CG1-CG1 4.21Å; I687-V724 HydrophobicContact CG2-CB 3.91Å; I687-V724 HydrophobicContact CG2-CG1 3.71Å; I691-V724 HydrophobicContact CD1-CG2 4.21Å; F720-V724 WeakPolarHBondContact O-CG2 3.43Å; F720-V724 PolarHBondContact O-N 3.47Å; V724-Y726 VanDerWaalsContact C-N 3.27Å; V724-Y726 PolarHBondContact O-N 3.49Å; V724-I727 PolarHBondContact O-N 2.88Å; V724-I727 VanDerWaalsContact O-N 3.12Å; V724-L728 PolarHBondContact O-N 3Å
725	A	98.1	Very high	96.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.2	-36.8	174.1	0	0	0	0	0	112.8	L680 S683 A684 S721 L728 S729	L680-A725 HydrophobicContact CB-CB 4.4Å; S683-A725 WeakPolarHBondContact CB-O 3.41Å; A684-A725 HydrophobicContact CB-CB 3.8Å; A684-A725 VanDerWaalsContact N-CB 3.31Å; S721-A725 WeakPolarHBondContact O-CB 3.25Å; S721-A725 PolarHBondContact O-N 3.24Å; A725-L728 PolarHBondContact O-N 3.25Å; A725-S729 VanDerWaalsContact O-CB 3.27Å; A725-S729 WeakPolarHBondContact O-CB 3.3Å; A725-S729 PolarHBondContact O-N 2.99Å; A725-S729 PolarHBondContact O-OG 2.9Å
726	Y	98	Very high	96.7	Very high	69 Å²	69	33.3 Å²	33.3	27%	0.271	17%	0.17	S	C	.	.	H	α-helix	trans	-59.2	-50.3	172.9	171.4	-100.2	0	0	0	110.6	L319 T323 L326 Y722 I723 V724 L728 S729 M730	L319-Y726 HydrophobicContact CD1-CE1 4.29Å; L319-Y726 WeakPolarHBondContact CD1-OH 3.5Å; T323-Y726 HydrophobicContact CG2-CE2 4.32Å; T323-Y726 PolarHBondContact OG1-OH 3.45Å; L326-Y726 HydrophobicContact CD2-CD2 3.78Å; L326-Y726 HydrophobicContact CD2-CE2 3.89Å; Y722-Y726 PolarHBondContact O-N 2.88Å; I723-Y726 WeakPolarHBondContact O-CB 3.2Å; I723-Y726 PolarHBondContact O-N 3.5Å; V724-Y726 VanDerWaalsContact C-N 3.27Å; V724-Y726 PolarHBondContact O-N 3.49Å; Y726-L728 PolarHBondContact O-N 3.28Å; Y726-S729 PolarHBondContact O-N 2.96Å; Y726-S729 PolarHBondContact O-OG 3.45Å; Y726-M730 HydrophobicContact CD1-CG 4.49Å; Y726-M730 HydrophobicContact CD2-CE 4.28Å; Y726-M730 HydrophobicContact CD2-CG 4.04Å; Y726-M730 HydrophobicContact CE1-CG 4.21Å; Y726-M730 HydrophobicContact CE2-CE 4.14Å; Y726-M730 HydrophobicContact CE2-CG 3.73Å; Y726-M730 HydrophobicContact CE2-SD 4.09Å; Y726-M730 HydrophobicContact CG-CG 4.42Å; Y726-M730 WeakPolarHBondContact O-CB 3.21Å; Y726-M730 VanDerWaalsContact O-CG 3.24Å; Y726-M730 WeakPolarHBondContact O-CG 3.34Å; Y726-M730 PolarHBondContact O-N 3.28Å
727	I	97	Very high	96.3	Very high	98 Å²	98	33 Å²	33	50%	0.503	17%	0.168	S	C	.	.	H	α-helix	trans	-59.2	-48	178.7	-59.9	170.7	0	0	0	111	I723 V724 S729 M730 T731	I723-I727 PolarHBondContact O-N 3.46Å; V724-I727 PolarHBondContact O-N 2.88Å; V724-I727 VanDerWaalsContact O-N 3.12Å; I727-S729 PolarHBondContact O-N 2.91Å; I727-M730 PolarHBondContact O-N 3.28Å; I727-T731 WeakPolarHBondContact O-CG2 3.29Å; I727-T731 PolarHBondContact O-N 3.45Å; I727-T731 VanDerWaalsContact O-N 3.12Å; I727-T731 PolarHBondContact O-OG1 2.03Å
728	L	97.3	Very high	95.8	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.052	17%	0.171	C	C	.	.	H	α-helix	trans	-60.2	-46.2	178.5	-177.6	60	0	0	0	111.9	A443 V446 L686 I687 V724 A725 Y726 M730 T731 T732	A443-L728 HydrophobicContact CB-CD1 4.37Å; A443-L728 HydrophobicContact CB-CD2 4.27Å; A443-L728 HydrophobicContact CB-CG 4.19Å; V446-L728 HydrophobicContact CB-CD1 3.98Å; V446-L728 HydrophobicContact CG1-CD1 3.73Å; L686-L728 HydrophobicContact CD1-CD2 4.37Å; I687-L728 HydrophobicContact CD1-CD2 4.17Å; I687-L728 HydrophobicContact CG1-CD2 3.73Å; V724-L728 PolarHBondContact O-N 3Å; A725-L728 PolarHBondContact O-N 3.25Å; Y726-L728 PolarHBondContact O-N 3.28Å; L728-M730 PolarHBondContact O-N 2.91Å; L728-T731 PolarHBondContact O-N 3.27Å; L728-T731 PolarHBondContact O-OG1 2.98Å; L728-T732 HydrophobicContact CD1-CG2 4.12Å; L728-T732 WeakPolarHBondContact O-CB 3.07Å; L728-T732 PolarHBondContact O-N 2.85Å; L728-T732 PolarHBondContact O-OG1 3.33Å
729	S	96.9	Very high	95.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.4	-38.6	-179.3	72.6	0	0	0	0	112.8	L680 A725 Y726 I727 T731 T732 E733 Y734	L680-S729 WeakPolarHBondContact CD2-OG 3.42Å; A725-S729 VanDerWaalsContact O-CB 3.27Å; A725-S729 WeakPolarHBondContact O-CB 3.3Å; A725-S729 PolarHBondContact O-N 2.99Å; A725-S729 PolarHBondContact O-OG 2.9Å; Y726-S729 PolarHBondContact O-N 2.96Å; Y726-S729 PolarHBondContact O-OG 3.45Å; I727-S729 PolarHBondContact O-N 2.91Å; S729-T731 VanDerWaalsContact C-N 3.3Å; S729-T731 PolarHBondContact O-N 2.97Å; S729-T732 PolarHBondContact O-N 2.97Å; S729-E733 PolarHBondContact O-N 2.91Å; S729-E733 VanDerWaalsContact O-N 3.09Å; S729-Y734 WeakPolarHBondContact O-CD2 3.35Å; S729-Y734 PolarHBondContact O-N 2.94Å; S729-Y734 VanDerWaalsContact O-N 3.08Å
730	M	96.3	Very high	94.9	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.025	15%	0.153	C	C	.	.	H	α-helix	trans	-71.1	-27.9	-179.9	-68.5	-59	116	0	0	112.3	L319 N322 L326 Y726 I727 L728 Y734 P735	L319-M730 HydrophobicContact CD1-CB 3.77Å; L319-M730 HydrophobicContact CD1-CG 3.58Å; L319-M730 HydrophobicContact CD1-SD 4.1Å; N322-M730 HydrophobicContact CB-SD 3.55Å; N322-M730 VanDerWaalsContact CB-SD 3.55Å; L326-M730 HydrophobicContact CB-CE 4.12Å; L326-M730 HydrophobicContact CD2-CE 3.91Å; Y726-M730 HydrophobicContact CD1-CG 4.49Å; Y726-M730 HydrophobicContact CD2-CE 4.28Å; Y726-M730 HydrophobicContact CD2-CG 4.04Å; Y726-M730 HydrophobicContact CE1-CG 4.21Å; Y726-M730 HydrophobicContact CE2-CE 4.14Å; Y726-M730 HydrophobicContact CE2-CG 3.73Å; Y726-M730 HydrophobicContact CE2-SD 4.09Å; Y726-M730 HydrophobicContact CG-CG 4.42Å; Y726-M730 WeakPolarHBondContact O-CB 3.21Å; Y726-M730 VanDerWaalsContact O-CG 3.24Å; Y726-M730 WeakPolarHBondContact O-CG 3.34Å; Y726-M730 PolarHBondContact O-N 3.28Å; I727-M730 PolarHBondContact O-N 3.28Å; L728-M730 PolarHBondContact O-N 2.91Å; M730-Y734 HydrophobicContact CE-CD2 3.34Å; M730-Y734 HydrophobicContact CE-CE2 3.44Å; M730-Y734 VanDerWaalsContact CE-CE2 3.44Å; M730-Y734 HydrophobicContact CE-CG 3.98Å; M730-Y734 HydrophobicContact SD-CD2 4.46Å; M730-P735 VanDerWaalsContact O-CD 3.26Å; M730-P735 WeakPolarHBondContact O-CD 3.36Å; M730-P735 WeakPolarHBondContact O-CG 3.3Å
731	T	95.3	Very high	94.2	Very high	18 Å²	18	32.9 Å²	32.9	11%	0.11	16%	0.162	C	C	.	.	H	α-helix	trans	-88.8	-19.9	177.9	49.7	0	0	0	0	113.3	L217 V221 Y317 I727 L728 S729	L217-T731 HydrophobicContact CB-CG2 4.45Å; V221-T731 HydrophobicContact CG2-CG2 3.97Å; Y317-T731 VanDerWaalsContact CE1-O 3.3Å; Y317-T731 WeakPolarHBondContact CE1-O 3.28Å; I727-T731 WeakPolarHBondContact O-CG2 3.29Å; I727-T731 PolarHBondContact O-N 3.45Å; I727-T731 VanDerWaalsContact O-N 3.12Å; I727-T731 PolarHBondContact O-OG1 2.03Å; L728-T731 PolarHBondContact O-N 3.27Å; L728-T731 PolarHBondContact O-OG1 2.98Å; S729-T731 VanDerWaalsContact C-N 3.3Å; S729-T731 PolarHBondContact O-N 2.97Å
732	T	95.2	Very high	93.2	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.031	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-69.9	-174	62.9	0	0	0	0	112.9	A443 V446 L728 S729 Y734 P735 I736	A443-T732 WeakPolarHBondContact CB-OG1 3.01Å; V446-T732 HydrophobicContact CB-CG2 4.31Å; V446-T732 HydrophobicContact CG2-CG2 3.75Å; L728-T732 HydrophobicContact CD1-CG2 4.12Å; L728-T732 WeakPolarHBondContact O-CB 3.07Å; L728-T732 PolarHBondContact O-N 2.85Å; L728-T732 PolarHBondContact O-OG1 3.33Å; S729-T732 PolarHBondContact O-N 2.97Å; T732-Y734 PolarHBondContact O-N 3.44Å; T732-P735 WeakPolarHBondContact O-CD 3.5Å; T732-I736 VanDerWaalsContact O-CB 3.29Å; T732-I736 WeakPolarHBondContact O-CB 3.48Å; T732-I736 WeakPolarHBondContact O-CD1 3.24Å; T732-I736 WeakPolarHBondContact O-CG1 3.46Å; T732-I736 PolarHBondContact O-N 3.19Å
733	E	94	Very high	92	Very high	12 Å²	12	41.3 Å²	41.3	6%	0.056	20%	0.203	C	C	.	.	H	α-helix	trans	-60	-51	-170.3	-65.1	-172.3	-127.1	0	0	114.1	A443 Y682 S683 S729 S737	A443-E733 HydrophobicContact CB-CG 4.32Å; Y682-E733 HydrophobicContact CD1-CG 4.49Å; Y682-E733 WeakPolarHBondContact CD1-OE1 3.27Å; S683-E733 PolarHBondContact OG-OE1 3.31Å; S729-E733 PolarHBondContact O-N 2.91Å; S729-E733 VanDerWaalsContact O-N 3.09Å; E733-S737 VanDerWaalsContact O-CB 3.31Å; E733-S737 WeakPolarHBondContact O-CB 3.31Å; E733-S737 PolarHBondContact O-N 3.3Å
734	Y	94.1	Very high	90.7	Very high	33 Å²	33	40.9 Å²	40.9	13%	0.129	20%	0.198	C	C	.	.	H	α-helix	trans	-73	-43.1	-174.2	-76.2	-92	0	0	0	114	N322 K325 L326 S729 M730 T732 I736 T738	N322-Y734 HydrophobicContact CB-CG 4.35Å; K325-Y734 HydrophobicContact CB-CD1 4.3Å; K325-Y734 HydrophobicContact CB-CE1 4.26Å; L326-Y734 HydrophobicContact CB-CE1 4.26Å; L326-Y734 HydrophobicContact CD1-CE2 4.38Å; L326-Y734 WeakPolarHBondContact CD1-OH 3.29Å; S729-Y734 WeakPolarHBondContact O-CD2 3.35Å; S729-Y734 PolarHBondContact O-N 2.94Å; S729-Y734 VanDerWaalsContact O-N 3.08Å; M730-Y734 HydrophobicContact CE-CD2 3.34Å; M730-Y734 HydrophobicContact CE-CE2 3.44Å; M730-Y734 VanDerWaalsContact CE-CE2 3.44Å; M730-Y734 HydrophobicContact CE-CG 3.98Å; M730-Y734 HydrophobicContact SD-CD2 4.46Å; T732-Y734 PolarHBondContact O-N 3.44Å; Y734-I736 VanDerWaalsContact C-N 3.31Å; Y734-I736 PolarHBondContact O-N 2.83Å; Y734-T738 PolarHBondContact O-N 3.24Å; Y734-T738 VanDerWaalsContact O-N 3.11Å; Y734-T738 PolarHBondContact O-OG1 2.89Å
735	P	94.4	Very high	88.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-57.8	-46.7	172.3	-24.4	33.1	0	0	0	111.3	A316 Y317 M730 T732 T738 L739	A316-P735 HydrophobicContact CB-CB 4.5Å; A316-P735 WeakPolarHBondContact O-CA 3.45Å; Y317-P735 HydrophobicContact CD1-CB 3.71Å; Y317-P735 HydrophobicContact CD1-CG 3.54Å; Y317-P735 HydrophobicContact CD2-CB 4.02Å; Y317-P735 HydrophobicContact CE1-CB 3.67Å; Y317-P735 HydrophobicContact CE1-CG 3.8Å; Y317-P735 HydrophobicContact CE2-CB 3.98Å; Y317-P735 HydrophobicContact CG-CB 3.88Å; Y317-P735 HydrophobicContact CG-CG 4Å; M730-P735 VanDerWaalsContact O-CD 3.26Å; M730-P735 WeakPolarHBondContact O-CD 3.36Å; M730-P735 WeakPolarHBondContact O-CG 3.3Å; T732-P735 WeakPolarHBondContact O-CD 3.5Å; P735-T738 WeakPolarHBondContact O-CA 3.12Å; P735-T738 WeakPolarHBondContact O-CB 3.33Å; P735-T738 PolarHBondContact O-N 3.38Å; P735-L739 WeakPolarHBondContact O-CG 3.43Å; P735-L739 PolarHBondContact O-N 3.19Å
736	I	92.7	Very high	88.1	Confident	30 Å²	30	52.2 Å²	52.2	15%	0.154	24%	0.237	C	C	.	.	H	α-helix	trans	-69.1	-40.9	-175.9	-65.7	173.3	0	0	0	111.2	I438 P442 T732 Y734 T738 L739 E740	I438-I736 HydrophobicContact CG2-CG2 3.48Å; I438-I736 VanDerWaalsContact CG2-CG2 3.48Å; P442-I736 HydrophobicContact CB-CD1 3.19Å; P442-I736 HydrophobicContact CG-CD1 3.2Å; P442-I736 HydrophobicContact CG-CG2 4.48Å; T732-I736 VanDerWaalsContact O-CB 3.29Å; T732-I736 WeakPolarHBondContact O-CB 3.48Å; T732-I736 WeakPolarHBondContact O-CD1 3.24Å; T732-I736 WeakPolarHBondContact O-CG1 3.46Å; T732-I736 PolarHBondContact O-N 3.19Å; Y734-I736 VanDerWaalsContact C-N 3.31Å; Y734-I736 PolarHBondContact O-N 2.83Å; I736-T738 PolarHBondContact O-N 3.25Å; I736-L739 PolarHBondContact O-N 3.4Å; I736-E740 WeakPolarHBondContact O-CB 3.42Å; I736-E740 PolarHBondContact O-N 2.93Å
737	S	89	Confident	87.6	Confident	29 Å²	29	51.3 Å²	51.3	20%	0.203	24%	0.235	C	C	.	.	H	α-helix	trans	-60.3	-28.3	172	-176.7	0	0	0	0	112.9	E733 K741	E733-S737 VanDerWaalsContact O-CB 3.31Å; E733-S737 WeakPolarHBondContact O-CB 3.31Å; E733-S737 PolarHBondContact O-N 3.3Å; S737-K741 WeakPolarHBondContact O-CG 3.42Å
738	T	88.5	Confident	87.1	Confident	13 Å²	13	48.7 Å²	48.7	8%	0.08	22%	0.221	C	C	.	.	H	α-helix	trans	-77.9	-43.5	175.4	-56.1	0	0	0	0	111.5	A316 K325 Y734 P735 I736 E740 K741 Y742	A316-T738 HydrophobicContact CB-CG2 4.24Å; K325-T738 PolarHBondContact NZ-OG1 3.05Å; Y734-T738 PolarHBondContact O-N 3.24Å; Y734-T738 VanDerWaalsContact O-N 3.11Å; Y734-T738 PolarHBondContact O-OG1 2.89Å; P735-T738 WeakPolarHBondContact O-CA 3.12Å; P735-T738 WeakPolarHBondContact O-CB 3.33Å; P735-T738 PolarHBondContact O-N 3.38Å; I736-T738 PolarHBondContact O-N 3.25Å; T738-E740 VanDerWaalsContact C-N 3.32Å; T738-K741 PolarHBondContact O-N 3.33Å; T738-Y742 HydrophobicContact CG2-CE2 3.96Å; T738-Y742 WeakPolarHBondContact O-CD2 3.3Å
739	L	89.3	Confident	86.4	Confident	35 Å²	35	51 Å²	51	18%	0.183	23%	0.23	C	C	.	.	H	α-helix	trans	-63.9	-39	176.6	-67.7	171.7	0	0	0	111.8	I313 A316 Y317 P735 I736 K741 Y742 L743	I313-L739 HydrophobicContact CB-CD2 4.24Å; I313-L739 HydrophobicContact CG1-CD2 4.2Å; I313-L739 HydrophobicContact CG2-CD2 3.97Å; A316-L739 HydrophobicContact CB-CD2 3.81Å; A316-L739 HydrophobicContact CB-CG 3.89Å; Y317-L739 HydrophobicContact CE2-CD1 4.39Å; P735-L739 WeakPolarHBondContact O-CG 3.43Å; P735-L739 PolarHBondContact O-N 3.19Å; I736-L739 PolarHBondContact O-N 3.4Å; L739-K741 VanDerWaalsContact C-N 3.32Å; L739-K741 PolarHBondContact O-N 2.66Å; L739-Y742 HydrophobicContact CD2-CD2 4.45Å; L739-Y742 WeakPolarHBondContact O-CA 3.1Å; L739-Y742 WeakPolarHBondContact O-CB 3.29Å; L739-Y742 PolarHBondContact O-N 3.35Å; L739-L743 PolarHBondContact O-N 2.91Å; L739-L743 VanDerWaalsContact O-N 3.11Å
740	E	86.8	Confident	85.8	Confident	17 Å²	17	54.2 Å²	54.2	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-57.6	-43.4	177.4	-176.4	179.8	-156.1	0	0	112.3	H435 I736 T738 Y742 L743 F744	H435-E740 WeakPolarHBondContact CA-OE1 3.49Å; H435-E740 IonicContact CE1-OE1 3.11Å; H435-E740 IonicContact CE1-OE2 2.78Å; H435-E740 PolarHBondContact CE1-OE2 2.9Å; H435-E740 VanDerWaalsContact CE1-OE2 3.27Å; H435-E740 IonicContact CG-OE1 4Å; H435-E740 IonicContact ND1-OE1 3.39Å; H435-E740 PolarHBondContact ND1-OE1 3.23Å; H435-E740 IonicContact ND1-OE2 3.51Å; H435-E740 PolarHBondContact ND1-OE2 3.35Å; I736-E740 WeakPolarHBondContact O-CB 3.42Å; I736-E740 PolarHBondContact O-N 2.93Å; T738-E740 VanDerWaalsContact C-N 3.32Å; E740-Y742 PolarHBondContact O-N 2.97Å; E740-Y742 VanDerWaalsContact O-N 3.11Å; E740-L743 PolarHBondContact O-N 3.32Å; E740-F744 HydrophobicContact CG-CD2 3.46Å; E740-F744 VanDerWaalsContact CG-CD2 3.46Å; E740-F744 HydrophobicContact CG-CE2 3.76Å; E740-F744 PolarHBondContact O-N 3.2Å
741	K	82.5	Confident	85.1	Confident	144 Å²	144	57.5 Å²	57.5	63%	0.626	26%	0.259	S	S	*	.	H	α-helix	trans	-61.4	-20	175.7	-70.2	176.8	-176.4	-173.2	0	113.1	S737 T738 L739 R745	S737-K741 WeakPolarHBondContact O-CG 3.42Å; T738-K741 PolarHBondContact O-N 3.33Å; L739-K741 VanDerWaalsContact C-N 3.32Å; L739-K741 PolarHBondContact O-N 2.66Å; K741-R745 WeakPolarHBondContact O-CG 3.4Å
742	Y	78.2	Confident	84.4	Confident	77 Å²	77	60.3 Å²	60.3	30%	0.302	27%	0.27	S	S	.	.	H	α-helix	trans	-88.2	-32.7	174.6	-55.2	-38.1	0	0	0	112.4	K312 T738 L739 E740	K312-Y742 HydrophobicContact CD-CE1 4.4Å; K312-Y742 HydrophobicContact CD-CE2 4.23Å; K312-Y742 HydrophobicContact CG-CD2 4.3Å; K312-Y742 HydrophobicContact CG-CE2 3.7Å; T738-Y742 HydrophobicContact CG2-CE2 3.96Å; T738-Y742 WeakPolarHBondContact O-CD2 3.3Å; L739-Y742 HydrophobicContact CD2-CD2 4.45Å; L739-Y742 WeakPolarHBondContact O-CA 3.1Å; L739-Y742 WeakPolarHBondContact O-CB 3.29Å; L739-Y742 PolarHBondContact O-N 3.35Å; E740-Y742 PolarHBondContact O-N 2.97Å; E740-Y742 VanDerWaalsContact O-N 3.11Å
743	L	73.5	Confident	83.5	Confident	132 Å²	132	64.5 Å²	64.5	69%	0.691	29%	0.289	S	S	*	.	H	α-helix	trans	-77.1	-35.9	179.9	-73.1	166	0	0	0	113.2	L739 E740	L739-L743 PolarHBondContact O-N 2.91Å; L739-L743 VanDerWaalsContact O-N 3.11Å; E740-L743 PolarHBondContact O-N 3.32Å
744	F	69	Low	82.7	Confident	84 Å²	84	68.9 Å²	68.9	37%	0.368	31%	0.308	S	S	.	.			trans	-107.9	21.3	-176.1	-61.1	-68.1	0	0	0	114.4	M431 V434 I438 E740	M431-F744 HydrophobicContact CE-CB 4Å; M431-F744 HydrophobicContact CE-CD1 3.26Å; M431-F744 HydrophobicContact CE-CE1 3.81Å; M431-F744 HydrophobicContact CE-CG 3.75Å; M431-F744 HydrophobicContact SD-CD1 3.97Å; M431-F744 HydrophobicContact SD-CE1 4Å; V434-F744 HydrophobicContact CG1-CE1 4.47Å; V434-F744 HydrophobicContact CG1-CE2 4.48Å; V434-F744 HydrophobicContact CG1-CZ 3.69Å; I438-F744 HydrophobicContact CD1-CE2 3.92Å; I438-F744 HydrophobicContact CD1-CZ 4.04Å; E740-F744 HydrophobicContact CG-CD2 3.46Å; E740-F744 VanDerWaalsContact CG-CD2 3.46Å; E740-F744 HydrophobicContact CG-CE2 3.76Å; E740-F744 PolarHBondContact O-N 3.2Å
745	R	53.8	Low	81.6	Confident	233 Å²	233	72.2 Å²	72.2	88%	0.879	32%	0.324	S	S	*	.			trans	-69.1	0	162.4	-107.9	-177.8	179.7	-171.7	-0.8	109.4	K741	K741-R745 WeakPolarHBondContact O-CG 3.4Å

Retrieved 745 of 745 residues in 1067.9 ms (Link to these results)

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