A0A3Q0KPC3_SCHMA Loading...

Putative pre-mRNA-splicing factor CLF1

AlphaFold DB , UniProt , Accession A0A3Q0KPC3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 768 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	36.4	Very low	40.5	Very low	234 Å²	234	154.8 Å²	154.8	100%	1.153	81%	0.814	S	S	*	*				0	151.5	0	-65.4	-165.7	-154	0	0	107.5
2	I	42.1	Very low	40.5	Very low	147 Å²	147	147.9 Å²	147.9	75%	0.754	81%	0.808	S	S	*	*			trans	83.6	71.2	-163.5	-45.1	161.4	0	0	0	109.9
3	T	39.7	Very low	41.1	Very low	127 Å²	127	143.8 Å²	143.8	78%	0.779	79%	0.79	S	S	*	*				33.7	83.6	82.9	65.8	0	0	0	0	112.8
4	D	43	Very low	41.1	Very low	126 Å²	126	142.4 Å²	142.4	67%	0.674	79%	0.79	S	S	*	*			trans	-130.6	83.1	153.3	-110.6	-22.8	0	0	0	109.2	R6	D4-R6 PolarHBondContact O-N 3.31Å
5	K	41.3	Very low	41.4	Very low	205 Å²	205	145.3 Å²	145.3	89%	0.891	79%	0.792	S	S	*	*			trans	-66.7	87.1	159	-72	179.5	174.9	-179.8	0	106.9	A7	K5-A7 PolarHBondContact O-N 3.42Å
6	R	40.7	Very low	41.5	Very low	209 Å²	209	145.1 Å²	145.1	79%	0.789	79%	0.79	S	S	*	*			trans	-92.9	95.6	161.6	-80.2	-174.5	178	176.5	-0.7	108.5	D4 V8	D4-R6 PolarHBondContact O-N 3.31Å; R6-V8 PolarHBondContact O-N 2.9Å; R6-V8 VanDerWaalsContact O-N 3.09Å
7	A	36.7	Very low	41.6	Very low	92 Å²	92	149.2 Å²	149.2	76%	0.76	80%	0.799	S	S	*	*			trans	-46.9	108.8	160.7	0	0	0	0	0	108.4	K5 E9	K5-A7 PolarHBondContact O-N 3.42Å; A7-E9 PolarHBondContact O-N 3.03Å
8	V	44.3	Very low	41.9	Very low	140 Å²	140	151.2 Å²	151.2	85%	0.848	80%	0.799	S	S	*	*			trans	-79.9	108.6	161	177.1	0	0	0	0	104.9	R6 D10	R6-V8 PolarHBondContact O-N 2.9Å; R6-V8 VanDerWaalsContact O-N 3.09Å; V8-D10 PolarHBondContact O-N 3.09Å; V8-D10 VanDerWaalsContact O-N 3.17Å
9	E	40.9	Very low	42.2	Very low	168 Å²	168	147.8 Å²	147.8	79%	0.785	79%	0.794	S	S	*	*			trans	-44.9	113.2	176.8	-66.8	168.8	151.2	0	0	110.8	A7 S11	A7-E9 PolarHBondContact O-N 3.03Å; E9-S11 PolarHBondContact O-N 2.93Å
10	D	38.2	Very low	42.9	Very low	162 Å²	162	150.8 Å²	150.8	87%	0.866	80%	0.8	S	S	*	*			trans	-67.4	80.1	157.3	-168.7	18.6	0	0	0	107.1	V8 G12	V8-D10 PolarHBondContact O-N 3.09Å; V8-D10 VanDerWaalsContact O-N 3.17Å; D10-G12 VanDerWaalsContact C-N 3.26Å; D10-G12 PolarHBondContact O-N 3.04Å
11	S	42.1	Very low	43.6	Very low	93 Å²	93	150.9 Å²	150.9	65%	0.65	80%	0.799	S	S	*	*			trans	-70.1	92.2	168.4	49	0	0	0	0	107.6	E9 V13	E9-S11 PolarHBondContact O-N 2.93Å; S11-V13 PolarHBondContact O-N 3.31Å
12	G	40.7	Very low	44.7	Very low	72 Å²	72	143.9 Å²	143.9	74%	0.742	78%	0.779	S	S	*	*			trans	-58.9	75.3	165.3	0	0	0	0	0	111.3	D10	D10-G12 VanDerWaalsContact C-N 3.26Å; D10-G12 PolarHBondContact O-N 3.04Å
13	V	47.8	Very low	45.8	Very low	95 Å²	95	148 Å²	148	58%	0.576	79%	0.785	S	S	*	*			trans	-68.6	129.1	154.3	180	0	0	0	0	105.7	S11 K15	S11-V13 PolarHBondContact O-N 3.31Å; V13-K15 PolarHBondContact O-N 3.44Å
14	P	40.9	Very low	47.5	Very low	123 Å²	123	148.7 Å²	148.7	80%	0.799	79%	0.789	S	S	*	*			trans	-68.1	84.6	179.7	28.4	-32.6	0	0	0	108.7	N16	P14-N16 PolarHBondContact O-N 3.03Å
15	K	45.6	Very low	49.3	Very low	186 Å²	186	151.4 Å²	151.4	81%	0.809	79%	0.794	S	S	*	*			trans	-77.6	88.9	172.6	-75.4	-176.8	-178.9	171.8	0	107	V13 K17	V13-K15 PolarHBondContact O-N 3.44Å; K15-K17 PolarHBondContact O-N 2.94Å
16	N	44.2	Very low	51.3	Low	143 Å²	143	147.6 Å²	147.6	77%	0.765	78%	0.784	S	S	*	*			trans	-18.8	120	159.4	-119.2	-17.8	0	0	0	110.9	P14 K18	P14-N16 PolarHBondContact O-N 3.03Å; N16-K18 PolarHBondContact O-N 3.15Å
17	K	42.2	Very low	53.3	Low	215 Å²	215	147.1 Å²	147.1	94%	0.935	79%	0.787	S	S	*	*			trans	-59.8	74.9	175.4	-70.8	176.4	177.8	174.7	0	109.8	K15 A19	K15-K17 PolarHBondContact O-N 2.94Å; K17-A19 PolarHBondContact O-N 3.22Å
18	K	46.8	Very low	55.7	Low	184 Å²	184	149.5 Å²	149.5	80%	0.8	78%	0.784	S	S	*	*			trans	-75.8	110.6	164.6	-73.7	-172	176.8	-177.2	0	105.9	N16 K20	N16-K18 PolarHBondContact O-N 3.15Å; K18-K20 PolarHBondContact O-N 2.79Å
19	A	49.2	Very low	57.6	Low	87 Å²	87	148.4 Å²	148.4	72%	0.719	78%	0.78	S	S	*	*			trans	-40.2	125.9	176.4	0	0	0	0	0	110.3	K17 I21	K17-A19 PolarHBondContact O-N 3.22Å; A19-I21 VanDerWaalsContact C-N 3.27Å; A19-I21 PolarHBondContact O-N 3.04Å
20	K	55.8	Low	59.6	Low	208 Å²	208	143.4 Å²	143.4	90%	0.904	77%	0.768	S	S	*	*			trans	-62.1	94.5	172.3	-74	179.9	179.4	176.4	0	107.4	K18 A22	K18-K20 PolarHBondContact O-N 2.79Å; K20-A22 PolarHBondContact O-N 2.94Å; K20-A22 VanDerWaalsContact O-N 3.1Å
21	I	56.7	Low	61.9	Low	152 Å²	152	141 Å²	141	78%	0.779	77%	0.77	S	S	*	*			trans	-53.1	116.8	163.2	-62.8	166	0	0	0	105.2	A19 R23	A19-I21 VanDerWaalsContact C-N 3.27Å; A19-I21 PolarHBondContact O-N 3.04Å; I21-R23 VanDerWaalsContact C-N 3.33Å; I21-R23 PolarHBondContact O-N 2.79Å
22	A	59.9	Low	64	Low	88 Å²	88	141 Å²	141	73%	0.727	77%	0.766	S	S	*	*			trans	-59.1	99	176.7	0	0	0	0	0	107.9	K20 V24	K20-A22 PolarHBondContact O-N 2.94Å; K20-A22 VanDerWaalsContact O-N 3.1Å; A22-V24 PolarHBondContact O-N 3.22Å
23	R	64.5	Low	66.1	Low	233 Å²	233	143.7 Å²	143.7	88%	0.879	76%	0.76	S	S	*	*			trans	-59.4	111.8	174.2	-81.7	-176.4	169.7	-175.1	-3.8	107.2	I21 K25	I21-R23 VanDerWaalsContact C-N 3.33Å; I21-R23 PolarHBondContact O-N 2.79Å; R23-K25 PolarHBondContact O-N 3.03Å; R23-K25 VanDerWaalsContact O-N 3.11Å
24	V	75.1	Confident	68	Low	142 Å²	142	145.4 Å²	145.4	86%	0.861	76%	0.764	S	S	*	*			trans	-57.6	115.6	173.2	-179.8	0	0	0	0	107.4	A22 N26	A22-V24 PolarHBondContact O-N 3.22Å; V24-N26 PolarHBondContact O-N 2.84Å
25	K	82.2	Confident	70.3	Confident	182 Å²	182	142.8 Å²	142.8	79%	0.791	75%	0.746	S	S	*	*			trans	-72.2	126	175	-66.4	-178.3	-178.2	-179.6	0	107.9	R23 K27	R23-K25 PolarHBondContact O-N 3.03Å; R23-K25 VanDerWaalsContact O-N 3.11Å; K25-K27 PolarHBondContact O-N 3.44Å
26	N	82.1	Confident	72.4	Confident	125 Å²	125	137.4 Å²	137.4	67%	0.668	74%	0.736	S	S	*	*			trans	-66.1	120.6	170.6	-171.2	0.2	0	0	0	108.7	V24 M28	V24-N26 PolarHBondContact O-N 2.84Å; N26-M28 VanDerWaalsContact OD1-CB 3.26Å; N26-M28 WeakPolarHBondContact OD1-CB 3.36Å; N26-M28 WeakPolarHBondContact OD1-CG 3.41Å; N26-M28 PolarHBondContact OD1-N 3.39Å
27	K	84	Confident	74.7	Confident	199 Å²	199	136.2 Å²	136.2	87%	0.865	73%	0.726	S	S	*	*			trans	-101.5	13.1	176.3	-65	-170.6	179	-176	0	112.5	K25	K25-K27 PolarHBondContact O-N 3.44Å
28	M	86.7	Confident	77	Confident	142 Å²	142	129.5 Å²	129.5	70%	0.7	70%	0.698	S	S	*	*	S	Bend	trans	-60.2	143.8	172.4	-72.8	176.6	76.2	0	0	110.5	N26 A30	N26-M28 VanDerWaalsContact OD1-CB 3.26Å; N26-M28 WeakPolarHBondContact OD1-CB 3.36Å; N26-M28 WeakPolarHBondContact OD1-CG 3.41Å; N26-M28 PolarHBondContact OD1-N 3.39Å; M28-A30 PolarHBondContact O-N 3.14Å
29	P	83.2	Confident	79.2	Confident	117 Å²	117	125.6 Å²	125.6	76%	0.76	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-58.6	130.7	176.5	24.7	-33.2	0	0	0	110.2
30	A	84.2	Confident	81.2	Confident	64 Å²	64	127.5 Å²	127.5	53%	0.529	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-66.5	139.1	177.1	0	0	0	0	0	110.6	M28 V32 Q33	M28-A30 PolarHBondContact O-N 3.14Å; A30-V32 PolarHBondContact O-N 3.16Å; A30-Q33 PolarHBondContact O-NE2 3.32Å
31	A	86.6	Confident	82.8	Confident	111 Å²	111	124.1 Å²	124.1	92%	0.917	66%	0.664	S	S	*	*	S	Bend	trans	-63.6	-29.3	177.9	0	0	0	0	0	112.7
32	V	84.8	Confident	84.4	Confident	93 Å²	93	121.7 Å²	121.7	56%	0.564	65%	0.65	S	S	*	*	S	Bend	trans	-112.2	116.4	175	-177.8	0	0	0	0	108.4	A30	A30-V32 PolarHBondContact O-N 3.16Å
33	Q	86.1	Confident	85.9	Confident	129 Å²	129	120.1 Å²	120.1	60%	0.603	64%	0.637	S	S	*	*			trans	-85.6	118.7	170.2	-63.2	-59.1	-46.7	0	0	107.9	A30 T35	A30-Q33 PolarHBondContact O-NE2 3.32Å; Q33-T35 WeakPolarHBondContact O-CG2 3.32Å; Q33-T35 PolarHBondContact O-N 3.15Å
34	I	86.2	Confident	87.1	Confident	130 Å²	130	117.4 Å²	117.4	67%	0.667	63%	0.631	S	S	*	*			trans	-59.8	115.1	-179.9	-62.8	170.7	0	0	0	108.2	L39	I34-L39 HydrophobicContact CG2-CD1 4.44Å; I34-L39 HydrophobicContact CG2-CD2 3.94Å; I34-L39 HydrophobicContact CG2-CG 3.95Å
35	T	89.4	Confident	87.8	Confident	68 Å²	68	117.3 Å²	117.3	42%	0.417	62%	0.622	S	S	.	*			trans	-91.6	158	179	67.5	0	0	0	0	110.9	Q33 E37 Q38 L39	Q33-T35 WeakPolarHBondContact O-CG2 3.32Å; Q33-T35 PolarHBondContact O-N 3.15Å; T35-E37 PolarHBondContact O-N 2.97Å; T35-Q38 PolarHBondContact O-N 3.35Å; T35-Q38 VanDerWaalsContact O-N 3.14Å; T35-Q38 PolarHBondContact OG1-N 3.16Å; T35-L39 PolarHBondContact O-N 3.05Å
36	A	91.3	Very high	88	Confident	74 Å²	74	116 Å²	116	61%	0.612	61%	0.612	S	S	*	*	H	α-helix	trans	-57.7	-31.6	173.6	0	0	0	0	0	112.3	L39 L40	A36-L39 PolarHBondContact O-N 3.33Å; A36-L40 WeakPolarHBondContact O-CG 3.37Å; A36-L40 PolarHBondContact O-N 3.15Å
37	E	92.2	Very high	88.1	Confident	118 Å²	118	116 Å²	116	55%	0.551	61%	0.608	S	S	*	*	H	α-helix	trans	-64.7	-43.7	175.7	-168.8	-165.5	158.3	0	0	112.2	T35 L39 L40 R41	T35-E37 PolarHBondContact O-N 2.97Å; E37-L39 VanDerWaalsContact C-N 3.3Å; E37-L39 PolarHBondContact O-N 3.31Å; E37-L40 PolarHBondContact O-N 3.47Å; E37-R41 WeakPolarHBondContact O-CB 3.38Å; E37-R41 PolarHBondContact O-N 3.35Å; E37-R41 IonicContact OE1-CZ 2.77Å; E37-R41 IonicContact OE1-NH2 3.38Å; E37-R41 PolarHBondContact OE1-NH2 2.88Å
38	Q	91	Very high	88	Confident	73 Å²	73	113.8 Å²	113.8	34%	0.341	60%	0.604	S	S	.	*	H	α-helix	trans	-60.2	-42.1	175.9	-81.8	177.3	-21	0	0	111.2	T35 R41 E42	T35-Q38 PolarHBondContact O-N 3.35Å; T35-Q38 VanDerWaalsContact O-N 3.14Å; T35-Q38 PolarHBondContact OG1-N 3.16Å; Q38-R41 PolarHBondContact O-N 3.36Å; Q38-E42 WeakPolarHBondContact O-CB 3.26Å; Q38-E42 WeakPolarHBondContact O-CG 3.07Å; Q38-E42 PolarHBondContact O-N 2.93Å
39	L	91.6	Very high	87.8	Confident	102 Å²	102	116 Å²	116	53%	0.534	61%	0.613	S	S	.	*	H	α-helix	trans	-62.4	-43.6	176.3	-65.9	174.1	0	0	0	112.4	I34 T35 A36 E37 A43	I34-L39 HydrophobicContact CG2-CD1 4.44Å; I34-L39 HydrophobicContact CG2-CD2 3.94Å; I34-L39 HydrophobicContact CG2-CG 3.95Å; T35-L39 PolarHBondContact O-N 3.05Å; A36-L39 PolarHBondContact O-N 3.33Å; E37-L39 VanDerWaalsContact C-N 3.3Å; E37-L39 PolarHBondContact O-N 3.31Å; L39-A43 VanDerWaalsContact O-CB 3.26Å; L39-A43 WeakPolarHBondContact O-CB 3.23Å; L39-A43 PolarHBondContact O-N 3.01Å
40	L	90.7	Very high	87.8	Confident	128 Å²	128	114.7 Å²	114.7	67%	0.67	60%	0.603	S	S	*	*	H	α-helix	trans	-68.6	-37.6	178.1	-70.9	175.2	0	0	0	112.4	A36 E37 A43 K44	A36-L40 WeakPolarHBondContact O-CG 3.37Å; A36-L40 PolarHBondContact O-N 3.15Å; E37-L40 PolarHBondContact O-N 3.47Å; L40-A43 PolarHBondContact O-N 3.01Å; L40-K44 WeakPolarHBondContact O-CB 3.08Å; L40-K44 PolarHBondContact O-N 3.04Å
41	R	89.6	Confident	87.6	Confident	137 Å²	137	117.2 Å²	117.2	52%	0.517	61%	0.612	S	S	.	*	H	α-helix	trans	-65.1	-48.6	176.5	-168.6	-179.5	-62.9	176.9	-0.7	110.8	E37 Q38 A43 K44 E45	E37-R41 WeakPolarHBondContact O-CB 3.38Å; E37-R41 PolarHBondContact O-N 3.35Å; E37-R41 IonicContact OE1-CZ 2.77Å; E37-R41 IonicContact OE1-NH2 3.38Å; E37-R41 PolarHBondContact OE1-NH2 2.88Å; Q38-R41 PolarHBondContact O-N 3.36Å; R41-A43 VanDerWaalsContact C-N 3.29Å; R41-A43 PolarHBondContact O-N 2.85Å; R41-K44 PolarHBondContact O-N 3.46Å; R41-E45 WeakPolarHBondContact O-CB 3.48Å; R41-E45 WeakPolarHBondContact O-CG 3.3Å; R41-E45 PolarHBondContact O-N 3.07Å
42	E	91.3	Very high	87.4	Confident	100 Å²	100	117.6 Å²	117.6	47%	0.467	61%	0.605	S	S	.	*	H	α-helix	trans	-60.1	-39.4	173.9	-75.5	-174.3	-170	0	0	111.8	Q38 E45 R46	Q38-E42 WeakPolarHBondContact O-CB 3.26Å; Q38-E42 WeakPolarHBondContact O-CG 3.07Å; Q38-E42 PolarHBondContact O-N 2.93Å; E42-E45 PolarHBondContact O-N 3.05Å; E42-R46 WeakPolarHBondContact O-CG 3.32Å; E42-R46 PolarHBondContact O-N 3.43Å; E42-R46 VanDerWaalsContact O-N 3.11Å
43	A	90.1	Very high	87.4	Confident	55 Å²	55	122.8 Å²	122.8	46%	0.455	62%	0.62	S	S	.	*	H	α-helix	trans	-64.5	-42.1	177.1	0	0	0	0	0	112.5	L39 L40 R41 R46	L39-A43 VanDerWaalsContact O-CB 3.26Å; L39-A43 WeakPolarHBondContact O-CB 3.23Å; L39-A43 PolarHBondContact O-N 3.01Å; L40-A43 PolarHBondContact O-N 3.01Å; R41-A43 VanDerWaalsContact C-N 3.29Å; R41-A43 PolarHBondContact O-N 2.85Å; A43-R46 PolarHBondContact O-N 3.13Å
44	K	89.8	Confident	87.1	Confident	176 Å²	176	120.9 Å²	120.9	77%	0.765	63%	0.626	S	S	*	*	H	α-helix	trans	-66.5	-43.9	175.9	-175.1	-177.2	176.9	-175.2	0	111.6	L40 R41 R46 E47	L40-K44 WeakPolarHBondContact O-CB 3.08Å; L40-K44 PolarHBondContact O-N 3.04Å; R41-K44 PolarHBondContact O-N 3.46Å; K44-R46 PolarHBondContact O-N 3.4Å; K44-E47 WeakPolarHBondContact O-CG 3.4Å; K44-E47 PolarHBondContact O-N 2.92Å; K44-E47 VanDerWaalsContact O-N 3.07Å
45	E	90.2	Very high	87.2	Confident	141 Å²	141	119.4 Å²	119.4	66%	0.659	63%	0.625	S	S	*	*	H	α-helix	trans	-65	-22.8	178.9	-76	178.9	-175.4	0	0	113.2	R41 E42 E47	R41-E45 WeakPolarHBondContact O-CB 3.48Å; R41-E45 WeakPolarHBondContact O-CG 3.3Å; R41-E45 PolarHBondContact O-N 3.07Å; E42-E45 PolarHBondContact O-N 3.05Å; E45-E47 PolarHBondContact O-N 3.38Å
46	R	86.8	Confident	86.9	Confident	154 Å²	154	125.9 Å²	125.9	58%	0.581	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-21.7	173.2	-64.6	-125	171.1	73.1	9.3	113.2	E42 A43 K44 L48	E42-R46 WeakPolarHBondContact O-CG 3.32Å; E42-R46 PolarHBondContact O-N 3.43Å; E42-R46 VanDerWaalsContact O-N 3.11Å; A43-R46 PolarHBondContact O-N 3.13Å; K44-R46 PolarHBondContact O-N 3.4Å; R46-L48 HydrophobicContact CB-CD1 4.26Å; R46-L48 HydrophobicContact CB-CD2 4.16Å; R46-L48 HydrophobicContact CB-CG 3.76Å; R46-L48 PolarHBondContact O-N 3Å
47	E	84.3	Confident	86.5	Confident	126 Å²	126	129.2 Å²	129.2	59%	0.589	65%	0.653	S	S	*	*			trans	44.7	34.5	177.8	-66.2	-166.9	159.1	0	0	114.2	K44 E45 E49 V50	K44-E47 WeakPolarHBondContact O-CG 3.4Å; K44-E47 PolarHBondContact O-N 2.92Å; K44-E47 VanDerWaalsContact O-N 3.07Å; E45-E47 PolarHBondContact O-N 3.38Å; E47-E49 PolarHBondContact O-N 2.84Å; E47-E49 VanDerWaalsContact O-N 3.07Å; E47-V50 HydrophobicContact CB-CB 4.09Å; E47-V50 HydrophobicContact CB-CG2 3.89Å; E47-V50 HydrophobicContact CG-CG2 4.22Å; E47-V50 PolarHBondContact O-N 3.23Å
48	L	82.7	Confident	86.2	Confident	152 Å²	152	132.6 Å²	132.6	80%	0.796	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-27.5	-168.2	-65.1	173.3	0	0	0	113.7	R46	R46-L48 HydrophobicContact CB-CD1 4.26Å; R46-L48 HydrophobicContact CB-CD2 4.16Å; R46-L48 HydrophobicContact CB-CG 3.76Å; R46-L48 PolarHBondContact O-N 3Å
49	E	82.3	Confident	86	Confident	188 Å²	188	132.8 Å²	132.8	88%	0.879	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-12.2	179.3	-62.3	-177.7	177.3	0	0	113.2	E47 T51	E47-E49 PolarHBondContact O-N 2.84Å; E47-E49 VanDerWaalsContact O-N 3.07Å; E49-T51 PolarHBondContact O-N 3.45Å
50	V	83.2	Confident	85.9	Confident	90 Å²	90	133.1 Å²	133.1	55%	0.545	68%	0.675	S	S	.	*			trans	-76.1	104.2	179.9	-175.9	0	0	0	0	108	E47	E47-V50 HydrophobicContact CB-CB 4.09Å; E47-V50 HydrophobicContact CB-CG2 3.89Å; E47-V50 HydrophobicContact CG-CG2 4.22Å; E47-V50 PolarHBondContact O-N 3.23Å
51	T	79.9	Confident	85.8	Confident	117 Å²	117	129.3 Å²	129.3	72%	0.718	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-59.4	129.5	172.5	54.8	0	0	0	0	109.1	E49 K53	E49-T51 PolarHBondContact O-N 3.45Å; T51-K53 PolarHBondContact O-N 3.2Å
52	P	82.7	Confident	85.9	Confident	118 Å²	118	129 Å²	129	77%	0.766	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-57.5	139.4	178	24	-33.5	0	0	0	109.5	A54	P52-A54 PolarHBondContact O-N 3.34Å
53	K	83.2	Confident	85.9	Confident	203 Å²	203	128.5 Å²	128.5	88%	0.883	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-57.9	132.2	175.6	-68.3	179.5	-177.5	173.5	0	108.6	T51	T51-K53 PolarHBondContact O-N 3.2Å
54	A	81.6	Confident	85.9	Confident	88 Å²	88	130 Å²	130	73%	0.727	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-56	139.7	176.6	0	0	0	0	0	110	P52	P52-A54 PolarHBondContact O-N 3.34Å
55	P	86.8	Confident	85.9	Confident	99 Å²	99	124.1 Å²	124.1	64%	0.643	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-60	142.3	179.7	25.3	-34	0	0	0	110.4	Q57	P55-Q57 PolarHBondContact O-N 3.5Å
56	Q	84.5	Confident	86	Confident	204 Å²	204	126.1 Å²	126.1	95%	0.953	65%	0.65	S	S	*	*			trans	-68.2	107.4	176.2	-67.8	-176.7	-3.5	0	0	109.4
57	Q	81.9	Confident	86.2	Confident	144 Å²	144	121.9 Å²	121.9	67%	0.673	64%	0.639	S	S	*	*			trans	-98.3	120.9	175.7	-67.7	177.6	-7	0	0	108.7	P55	P55-Q57 PolarHBondContact O-N 3.5Å
58	K	86.9	Confident	86.6	Confident	190 Å²	190	119.3 Å²	119.3	83%	0.826	63%	0.626	S	S	*	*			trans	-81.7	119.5	174.2	-162	176	-174.9	179.7	0	108.1	T60	K58-T60 PolarHBondContact O-N 3.21Å
59	I	86.8	Confident	87	Confident	76 Å²	76	113 Å²	113	39%	0.39	59%	0.592	S	S	.	*			trans	-74.2	112.3	178	-58.1	173.5	0	0	0	107.7	E64 L65 F68	I59-E64 HydrophobicContact CG2-CB 4.05Å; I59-L65 HydrophobicContact CD1-CD1 4.04Å; I59-L65 HydrophobicContact CG2-CB 3.71Å; I59-L65 HydrophobicContact CG2-CD1 4.27Å; I59-F68 HydrophobicContact CD1-CB 4.18Å; I59-F68 HydrophobicContact CD1-CD1 4.04Å; I59-F68 HydrophobicContact CD1-CG 4Å
60	T	88.3	Confident	87.6	Confident	110 Å²	110	109.4 Å²	109.4	68%	0.675	58%	0.579	S	S	*	*			trans	-101.2	-32	-174.7	61.8	0	0	0	0	113.2	K58 E64	K58-T60 PolarHBondContact O-N 3.21Å; T60-E64 PolarHBondContact N-OE2 2.83Å; T60-E64 PolarHBondContact OG1-OE1 3.4Å; T60-E64 PolarHBondContact OG1-OE2 3.02Å
61	S	89.3	Confident	88.1	Confident	48 Å²	48	111.6 Å²	111.6	34%	0.336	58%	0.578	S	S	.	*	S	Bend	trans	-122	157.4	-174.9	72.1	0	0	0	0	112.4	S63 E64 L65	S61-S63 PolarHBondContact O-N 3.41Å; S61-E64 PolarHBondContact O-N 2.93Å; S61-E64 WeakPolarHBondContact OG-CG 3.35Å; S61-E64 PolarHBondContact OG-N 3.27Å; S61-E64 VanDerWaalsContact OG-N 3.15Å; S61-L65 PolarHBondContact O-N 3.1Å
62	L	90.5	Very high	88.8	Confident	129 Å²	129	109.8 Å²	109.8	68%	0.675	56%	0.56	S	S	*	*	H	α-helix	trans	-60.6	-28.8	171.8	-68.3	175	0	0	0	112	R66	L62-R66 WeakPolarHBondContact O-CB 3.22Å; L62-R66 VanDerWaalsContact O-CG 3.27Å; L62-R66 WeakPolarHBondContact O-CG 3.41Å; L62-R66 PolarHBondContact O-N 3.31Å
63	S	91.3	Very high	89.5	Confident	91 Å²	91	105.6 Å²	105.6	64%	0.636	53%	0.528	S	S	*	.	H	α-helix	trans	-67	-46	175.6	-169.9	0	0	0	0	111.4	S61 L65 R66 D67	S61-S63 PolarHBondContact O-N 3.41Å; S63-L65 VanDerWaalsContact C-N 3.33Å; S63-L65 PolarHBondContact O-N 3.44Å; S63-R66 PolarHBondContact O-N 2.91Å; S63-D67 PolarHBondContact O-N 3Å
64	E	90.6	Very high	90.1	Very high	87 Å²	87	102.3 Å²	102.3	41%	0.407	51%	0.514	S	S	.	.	H	α-helix	trans	-63.7	-39.3	175.3	-73.2	173.4	179.8	0	0	111.7	I59 T60 S61 D67 F68	I59-E64 HydrophobicContact CG2-CB 4.05Å; T60-E64 PolarHBondContact N-OE2 2.83Å; T60-E64 PolarHBondContact OG1-OE1 3.4Å; T60-E64 PolarHBondContact OG1-OE2 3.02Å; S61-E64 PolarHBondContact O-N 2.93Å; S61-E64 WeakPolarHBondContact OG-CG 3.35Å; S61-E64 PolarHBondContact OG-N 3.27Å; S61-E64 VanDerWaalsContact OG-N 3.15Å; E64-D67 PolarHBondContact O-N 3Å; E64-F68 WeakPolarHBondContact O-CB 3.5Å; E64-F68 PolarHBondContact O-N 2.93Å
65	L	90.3	Very high	90.8	Very high	52 Å²	52	101.9 Å²	101.9	27%	0.272	50%	0.5	S	S	.	.	H	α-helix	trans	-61.9	-46	175.2	-176.9	61.1	0	0	0	111.4	I59 S61 S63 D67 F68 Q69	I59-L65 HydrophobicContact CD1-CD1 4.04Å; I59-L65 HydrophobicContact CG2-CB 3.71Å; I59-L65 HydrophobicContact CG2-CD1 4.27Å; S61-L65 PolarHBondContact O-N 3.1Å; S63-L65 VanDerWaalsContact C-N 3.33Å; S63-L65 PolarHBondContact O-N 3.44Å; L65-D67 VanDerWaalsContact C-N 3.32Å; L65-D67 PolarHBondContact O-N 3.29Å; L65-F68 PolarHBondContact O-N 3.05Å; L65-Q69 HydrophobicContact CD1-CG 4.46Å; L65-Q69 WeakPolarHBondContact O-CB 3.43Å; L65-Q69 VanDerWaalsContact O-CG 3.25Å; L65-Q69 WeakPolarHBondContact O-CG 3.2Å; L65-Q69 PolarHBondContact O-N 3.44Å
66	R	91.8	Very high	91.3	Very high	182 Å²	182	100 Å²	100	69%	0.687	48%	0.48	S	S	*	.	H	α-helix	trans	-61.8	-39.9	178.2	-78	175.4	-179.7	178.8	1.4	112.1	L62 S63 Q69 L70	L62-R66 WeakPolarHBondContact O-CB 3.22Å; L62-R66 VanDerWaalsContact O-CG 3.27Å; L62-R66 WeakPolarHBondContact O-CG 3.41Å; L62-R66 PolarHBondContact O-N 3.31Å; S63-R66 PolarHBondContact O-N 2.91Å; R66-Q69 PolarHBondContact O-N 3.15Å; R66-L70 WeakPolarHBondContact O-CB 3.48Å; R66-L70 PolarHBondContact O-N 3.24Å
67	D	92	Very high	91.8	Very high	65 Å²	65	92.4 Å²	92.4	35%	0.348	45%	0.445	S	S	.	.	H	α-helix	trans	-68.9	-43.7	176.8	-175.2	38.5	0	0	0	111.7	S63 E64 L65 Q69 L70 R71	S63-D67 PolarHBondContact O-N 3Å; E64-D67 PolarHBondContact O-N 3Å; L65-D67 VanDerWaalsContact C-N 3.32Å; L65-D67 PolarHBondContact O-N 3.29Å; D67-Q69 VanDerWaalsContact C-N 3.33Å; D67-Q69 PolarHBondContact O-N 3.41Å; D67-L70 WeakPolarHBondContact O-CB 3.37Å; D67-L70 PolarHBondContact O-N 3.3Å; D67-L70 VanDerWaalsContact O-N 3.16Å; D67-R71 WeakPolarHBondContact O-CG 3.4Å; D67-R71 PolarHBondContact O-N 3.18Å; D67-R71 IonicContact OD1-NE 3.44Å; D67-R71 IonicContact OD2-CZ 3.78Å; D67-R71 VanDerWaalsContact OD2-CZ 3.23Å; D67-R71 IonicContact OD2-NE 3.93Å; D67-R71 PolarHBondContact OD2-NE 3.39Å; D67-R71 VanDerWaalsContact OD2-NE 3.09Å; D67-R71 IonicContact OD2-NH2 3.55Å; D67-R71 PolarHBondContact OD2-NH2 2.83Å
68	F	91.3	Very high	92.5	Very high	73 Å²	73	87.4 Å²	87.4	32%	0.32	42%	0.423	S	S	.	.	H	α-helix	trans	-55.9	-47.3	171.9	172	-99.6	0	0	0	111.9	I59 E64 L65 L70 R71 K72 F96	I59-F68 HydrophobicContact CD1-CB 4.18Å; I59-F68 HydrophobicContact CD1-CD1 4.04Å; I59-F68 HydrophobicContact CD1-CG 4Å; E64-F68 WeakPolarHBondContact O-CB 3.5Å; E64-F68 PolarHBondContact O-N 2.93Å; L65-F68 PolarHBondContact O-N 3.05Å; F68-L70 PolarHBondContact O-N 3.28Å; F68-R71 PolarHBondContact O-N 3.29Å; F68-K72 HydrophobicContact CD2-CG 4.39Å; F68-K72 HydrophobicContact CE1-CG 4.14Å; F68-K72 HydrophobicContact CE2-CD 4.49Å; F68-K72 HydrophobicContact CE2-CG 3.92Å; F68-K72 HydrophobicContact CZ-CD 4.49Å; F68-K72 HydrophobicContact CZ-CG 3.78Å; F68-K72 WeakPolarHBondContact O-CG 3.48Å; F68-K72 PolarHBondContact O-N 3.43Å; F68-F96 AromaticContact CE1-CE2 3.97Å; F68-F96 HydrophobicContact CE1-CE2 3.97Å; F68-F96 HydrophobicContact CE1-CZ 4.11Å; F68-F96 HydrophobicContact CZ-CE2 4.37Å
69	Q	92.6	Very high	92.9	Very high	18 Å²	18	81.6 Å²	81.6	8%	0.084	40%	0.401	C	S	.	.	H	α-helix	trans	-61.2	-42.4	176.3	-73.4	177.5	-0.3	0	0	111.8	L65 R66 D67 K72 R73	L65-Q69 HydrophobicContact CD1-CG 4.46Å; L65-Q69 WeakPolarHBondContact O-CB 3.43Å; L65-Q69 VanDerWaalsContact O-CG 3.25Å; L65-Q69 WeakPolarHBondContact O-CG 3.2Å; L65-Q69 PolarHBondContact O-N 3.44Å; R66-Q69 PolarHBondContact O-N 3.15Å; D67-Q69 VanDerWaalsContact C-N 3.33Å; D67-Q69 PolarHBondContact O-N 3.41Å; Q69-K72 PolarHBondContact O-N 3.45Å; Q69-R73 VanDerWaalsContact O-CB 3.25Å; Q69-R73 WeakPolarHBondContact O-CB 3.31Å; Q69-R73 WeakPolarHBondContact O-CD 3.21Å; Q69-R73 WeakPolarHBondContact O-CG 3.31Å; Q69-R73 PolarHBondContact O-N 3.07Å; Q69-R73 VanDerWaalsContact OE1-NH1 3.08Å
70	L	94.5	Very high	93.4	Very high	114 Å²	114	78.4 Å²	78.4	60%	0.597	38%	0.384	S	S	*	.	H	α-helix	trans	-61.5	-47	178.3	-178.3	66.5	0	0	0	111.5	R66 D67 F68 R73 K74	R66-L70 WeakPolarHBondContact O-CB 3.48Å; R66-L70 PolarHBondContact O-N 3.24Å; D67-L70 WeakPolarHBondContact O-CB 3.37Å; D67-L70 PolarHBondContact O-N 3.3Å; D67-L70 VanDerWaalsContact O-N 3.16Å; F68-L70 PolarHBondContact O-N 3.28Å; L70-R73 PolarHBondContact O-N 2.72Å; L70-K74 WeakPolarHBondContact O-CB 3.49Å; L70-K74 PolarHBondContact O-N 3.43Å
71	R	94	Very high	93.7	Very high	136 Å²	136	81.7 Å²	81.7	51%	0.513	38%	0.384	S	S	.	.	H	α-helix	trans	-60.2	-49.3	177.4	-64.8	178.3	-154.5	-173.9	7.4	111.1	D67 F68 K74 D75	D67-R71 WeakPolarHBondContact O-CG 3.4Å; D67-R71 PolarHBondContact O-N 3.18Å; D67-R71 IonicContact OD1-NE 3.44Å; D67-R71 IonicContact OD2-CZ 3.78Å; D67-R71 VanDerWaalsContact OD2-CZ 3.23Å; D67-R71 IonicContact OD2-NE 3.93Å; D67-R71 PolarHBondContact OD2-NE 3.39Å; D67-R71 VanDerWaalsContact OD2-NE 3.09Å; D67-R71 IonicContact OD2-NH2 3.55Å; D67-R71 PolarHBondContact OD2-NH2 2.83Å; F68-R71 PolarHBondContact O-N 3.29Å; R71-K74 WeakPolarHBondContact O-CB 3.48Å; R71-K74 PolarHBondContact O-N 3Å; R71-D75 VanDerWaalsContact O-CG 3.28Å; R71-D75 PolarHBondContact O-N 2.95Å
72	K	94.5	Very high	93.9	Very high	78 Å²	78	86.8 Å²	86.8	34%	0.339	40%	0.401	S	S	.	.	H	α-helix	trans	-64.3	-43.7	179.2	-71.9	-60.7	-175.1	-170.8	0	113	F68 Q69 K74 D75 Y76 F96	F68-K72 HydrophobicContact CD2-CG 4.39Å; F68-K72 HydrophobicContact CE1-CG 4.14Å; F68-K72 HydrophobicContact CE2-CD 4.49Å; F68-K72 HydrophobicContact CE2-CG 3.92Å; F68-K72 HydrophobicContact CZ-CD 4.49Å; F68-K72 HydrophobicContact CZ-CG 3.78Å; F68-K72 WeakPolarHBondContact O-CG 3.48Å; F68-K72 PolarHBondContact O-N 3.43Å; Q69-K72 PolarHBondContact O-N 3.45Å; K72-K74 VanDerWaalsContact C-N 3.31Å; K72-K74 PolarHBondContact O-N 3.31Å; K72-D75 PolarHBondContact O-N 3.18Å; K72-Y76 HydrophobicContact CB-CE2 4.43Å; K72-Y76 WeakPolarHBondContact O-CD2 3.38Å; K72-Y76 PolarHBondContact O-N 2.86Å; K72-F96 HydrophobicContact CB-CE1 3.81Å; K72-F96 HydrophobicContact CB-CE2 4.05Å; K72-F96 HydrophobicContact CB-CZ 3.49Å; K72-F96 VanDerWaalsContact CB-CZ 3.49Å; K72-F96 HydrophobicContact CG-CE2 4.08Å; K72-F96 HydrophobicContact CG-CZ 3.92Å
73	R	96.7	Very high	94	Very high	30 Å²	30	85.3 Å²	85.3	11%	0.113	39%	0.393	C	S	.	.	H	α-helix	trans	-58.7	-44.6	174.7	-76.1	167.8	-179.9	144.9	6.9	111	Q69 L70 Y76 E77 Y93 E97	Q69-R73 VanDerWaalsContact O-CB 3.25Å; Q69-R73 WeakPolarHBondContact O-CB 3.31Å; Q69-R73 WeakPolarHBondContact O-CD 3.21Å; Q69-R73 WeakPolarHBondContact O-CG 3.31Å; Q69-R73 PolarHBondContact O-N 3.07Å; Q69-R73 VanDerWaalsContact OE1-NH1 3.08Å; L70-R73 PolarHBondContact O-N 2.72Å; R73-Y76 PolarHBondContact O-N 2.97Å; R73-E77 WeakPolarHBondContact O-CB 3.28Å; R73-E77 VanDerWaalsContact O-CG 3.23Å; R73-E77 WeakPolarHBondContact O-CG 3.41Å; R73-E77 PolarHBondContact O-N 2.62Å; R73-Y93 HydrophobicContact CG-CE2 4.05Å; R73-E97 VanDerWaalsContact CG-OE1 3.23Å; R73-E97 WeakPolarHBondContact CG-OE1 3.39Å; R73-E97 IonicContact CZ-OE1 2.88Å; R73-E97 IonicContact CZ-OE2 2.76Å; R73-E97 IonicContact NE-OE1 3.57Å; R73-E97 PolarHBondContact NE-OE1 3.1Å; R73-E97 IonicContact NE-OE2 3.32Å; R73-E97 IonicContact NH2-OE1 3.82Å; R73-E97 IonicContact NH2-OE2 3.77Å; R73-E97 PolarHBondContact NH2-OE2 2.95Å
74	K	96.5	Very high	94.1	Very high	134 Å²	134	88.6 Å²	88.6	58%	0.583	39%	0.392	S	S	*	.	H	α-helix	trans	-59.1	-47.6	175.3	-175.2	-178.8	177.1	-176.6	0	111.5	L70 R71 K72 Y76 E77 D78	L70-K74 WeakPolarHBondContact O-CB 3.49Å; L70-K74 PolarHBondContact O-N 3.43Å; R71-K74 WeakPolarHBondContact O-CB 3.48Å; R71-K74 PolarHBondContact O-N 3Å; K72-K74 VanDerWaalsContact C-N 3.31Å; K72-K74 PolarHBondContact O-N 3.31Å; K74-Y76 PolarHBondContact O-N 3.48Å; K74-E77 PolarHBondContact O-N 2.96Å; K74-D78 VanDerWaalsContact O-CB 3.26Å; K74-D78 WeakPolarHBondContact O-CB 3.41Å; K74-D78 VanDerWaalsContact O-CG 3.22Å; K74-D78 PolarHBondContact O-N 2.78Å
75	D	95.7	Very high	94.2	Very high	80 Å²	80	91.3 Å²	91.3	43%	0.428	41%	0.408	S	S	.	.	H	α-helix	trans	-58.4	-45.9	177.9	-65.3	-20.8	0	0	0	111.8	R71 K72 N79	R71-D75 VanDerWaalsContact O-CG 3.28Å; R71-D75 PolarHBondContact O-N 2.95Å; K72-D75 PolarHBondContact O-N 3.18Å; D75-N79 WeakPolarHBondContact O-CB 3.45Å; D75-N79 PolarHBondContact O-N 3.06Å; D75-N79 PolarHBondContact O-ND2 3.39Å
76	Y	96.7	Very high	94.3	Very high	58 Å²	58	90.8 Å²	90.8	23%	0.227	41%	0.411	C	S	.	.	H	α-helix	trans	-66.8	-45.9	178.3	-74.6	-61.1	0	0	0	112.6	K72 R73 K74 D78 N79 I80 K92 Y93 F96	K72-Y76 HydrophobicContact CB-CE2 4.43Å; K72-Y76 WeakPolarHBondContact O-CD2 3.38Å; K72-Y76 PolarHBondContact O-N 2.86Å; R73-Y76 PolarHBondContact O-N 2.97Å; K74-Y76 PolarHBondContact O-N 3.48Å; Y76-D78 VanDerWaalsContact C-N 3.34Å; Y76-D78 PolarHBondContact O-N 2.83Å; Y76-N79 PolarHBondContact O-N 2.81Å; Y76-I80 WeakPolarHBondContact O-CB 3.41Å; Y76-I80 WeakPolarHBondContact O-CG1 3.49Å; Y76-I80 PolarHBondContact O-N 2.71Å; Y76-K92 HydrophobicContact CE1-CB 4.1Å; Y76-Y93 HydrophobicContact CD1-CG 4.45Å; Y76-Y93 AromaticContact CD2-CD2 3.55Å; Y76-Y93 HydrophobicContact CD2-CD2 3.55Å; Y76-Y93 HydrophobicContact CD2-CE2 4.21Å; Y76-Y93 HydrophobicContact CD2-CG 4.26Å; Y76-Y93 HydrophobicContact CE2-CD2 4.41Å; Y76-Y93 AromaticContact CG-CD2 3.63Å; Y76-Y93 HydrophobicContact CG-CD2 3.63Å; Y76-Y93 HydrophobicContact CG-CE2 4.45Å; Y76-Y93 AromaticContact CG-CG 3.87Å; Y76-Y93 HydrophobicContact CG-CG 3.87Å; Y76-F96 HydrophobicContact CD2-CB 4.46Å; Y76-F96 HydrophobicContact CD2-CD1 4.11Å; Y76-F96 HydrophobicContact CD2-CG 4.32Å; Y76-F96 HydrophobicContact CE2-CB 3.66Å; Y76-F96 AromaticContact CE2-CD1 3.78Å; Y76-F96 HydrophobicContact CE2-CD1 3.78Å; Y76-F96 HydrophobicContact CE2-CD2 4.1Å; Y76-F96 HydrophobicContact CE2-CE1 4.48Å; Y76-F96 AromaticContact CE2-CG 3.56Å; Y76-F96 HydrophobicContact CE2-CG 3.56Å
77	E	96.3	Very high	94.3	Very high	45 Å²	45	82.9 Å²	82.9	21%	0.21	38%	0.382	C	S	.	.	H	α-helix	trans	-64	-38.8	177.8	-71.4	-71.4	176.3	0	0	111.6	R73 K74 I80 R81 Y93 R112	R73-E77 WeakPolarHBondContact O-CB 3.28Å; R73-E77 VanDerWaalsContact O-CG 3.23Å; R73-E77 WeakPolarHBondContact O-CG 3.41Å; R73-E77 PolarHBondContact O-N 2.62Å; K74-E77 PolarHBondContact O-N 2.96Å; E77-I80 PolarHBondContact O-N 3.36Å; E77-R81 VanDerWaalsContact O-CB 3.29Å; E77-R81 WeakPolarHBondContact O-CB 3.32Å; E77-R81 PolarHBondContact O-N 3.18Å; E77-Y93 HydrophobicContact CG-CE1 4.27Å; E77-Y93 VanDerWaalsContact OE1-CE1 3.31Å; E77-Y93 WeakPolarHBondContact OE1-CE1 3.34Å; E77-Y93 PolarHBondContact OE1-OH 3.08Å; E77-R112 IonicContact OE1-CZ 2.75Å; E77-R112 IonicContact OE1-NH1 2.77Å; E77-R112 PolarHBondContact OE1-NH1 3.4Å; E77-R112 IonicContact OE1-NH2 2.72Å; E77-R112 PolarHBondContact OE1-NH2 2.92Å; E77-R112 IonicContact OE2-CZ 2.85Å; E77-R112 IonicContact OE2-NH1 3.51Å; E77-R112 IonicContact OE2-NH2 3.56Å; E77-R112 PolarHBondContact OE2-NH2 2.77Å
78	D	96.2	Very high	94.4	Very high	40 Å²	40	86.3 Å²	86.3	21%	0.214	40%	0.396	C	S	.	.	H	α-helix	trans	-67.3	-38.3	175.1	-73.1	-16.3	0	0	0	111	K74 Y76 R81 K82	K74-D78 VanDerWaalsContact O-CB 3.26Å; K74-D78 WeakPolarHBondContact O-CB 3.41Å; K74-D78 VanDerWaalsContact O-CG 3.22Å; K74-D78 PolarHBondContact O-N 2.78Å; Y76-D78 VanDerWaalsContact C-N 3.34Å; Y76-D78 PolarHBondContact O-N 2.83Å; D78-R81 PolarHBondContact O-N 3.2Å; D78-R81 IonicContact OD1-CZ 3.56Å; D78-R81 VanDerWaalsContact OD1-CZ 3.29Å; D78-R81 IonicContact OD1-NH1 3.67Å; D78-R81 PolarHBondContact OD1-NH1 3.03Å; D78-R81 IonicContact OD1-NH2 2.77Å; D78-R81 PolarHBondContact OD1-NH2 3.42Å; D78-K82 VanDerWaalsContact O-CG 3.27Å; D78-K82 WeakPolarHBondContact O-CG 3.25Å; D78-K82 PolarHBondContact O-N 3.05Å
79	N	95.6	Very high	94.6	Very high	68 Å²	68	84.2 Å²	84.2	36%	0.364	39%	0.389	S	S	.	.	H	α-helix	trans	-66.3	-39.5	174.1	-74.9	-28.8	0	0	0	112.6	D75 Y76 K82 N83	D75-N79 WeakPolarHBondContact O-CB 3.45Å; D75-N79 PolarHBondContact O-N 3.06Å; D75-N79 PolarHBondContact O-ND2 3.39Å; Y76-N79 PolarHBondContact O-N 2.81Å; N79-K82 PolarHBondContact O-N 3.13Å; N79-N83 PolarHBondContact O-N 3.44Å
80	I	95.7	Very high	94.8	Very high	8 Å²	8	83.8 Å²	83.8	4%	0.041	39%	0.386	C	S	.	.	H	α-helix	trans	-67.6	-39.2	174.2	-72.4	166.8	0	0	0	110.4	Y76 E77 N83 R84 N89 W90 Y93	Y76-I80 WeakPolarHBondContact O-CB 3.41Å; Y76-I80 WeakPolarHBondContact O-CG1 3.49Å; Y76-I80 PolarHBondContact O-N 2.71Å; E77-I80 PolarHBondContact O-N 3.36Å; I80-N83 CarbonylContact O-C 3.5Å; I80-N83 VanDerWaalsContact O-C 3.25Å; I80-N83 PolarHBondContact O-N 3.21Å; I80-R84 WeakPolarHBondContact O-CA 3.26Å; I80-R84 PolarHBondContact O-N 3.37Å; I80-N89 HydrophobicContact CG1-CB 4.12Å; I80-W90 HydrophobicContact CD1-CD2 3.95Å; I80-W90 HydrophobicContact CD1-CE3 3.8Å; I80-W90 HydrophobicContact CD1-CG 4.47Å; I80-W90 HydrophobicContact CD1-CZ3 4.13Å; I80-W90 HydrophobicContact CG1-CD2 4.21Å; I80-W90 HydrophobicContact CG2-CD2 4.21Å; I80-W90 HydrophobicContact CG2-CE3 4.43Å; I80-W90 HydrophobicContact CG2-CH2 3.52Å; I80-W90 HydrophobicContact CG2-CZ2 3.21Å; I80-W90 HydrophobicContact CG2-CZ3 4.11Å; I80-Y93 HydrophobicContact CD1-CD1 3.61Å; I80-Y93 HydrophobicContact CD1-CE1 4.38Å; I80-Y93 HydrophobicContact CD1-CG 4.36Å
81	R	94.8	Very high	94.9	Very high	179 Å²	179	79.9 Å²	79.9	68%	0.675	37%	0.365	S	S	*	.	H	α-helix	trans	-64	-40.3	176.3	-165.6	-175.9	-54.9	123.7	14.7	111.8	E77 D78	E77-R81 VanDerWaalsContact O-CB 3.29Å; E77-R81 WeakPolarHBondContact O-CB 3.32Å; E77-R81 PolarHBondContact O-N 3.18Å; D78-R81 PolarHBondContact O-N 3.2Å; D78-R81 IonicContact OD1-CZ 3.56Å; D78-R81 VanDerWaalsContact OD1-CZ 3.29Å; D78-R81 IonicContact OD1-NH1 3.67Å; D78-R81 PolarHBondContact OD1-NH1 3.03Å; D78-R81 IonicContact OD1-NH2 2.77Å; D78-R81 PolarHBondContact OD1-NH2 3.42Å
82	K	94.7	Very high	95	Very high	156 Å²	156	78.8 Å²	78.8	68%	0.678	36%	0.364	S	S	*	.	H	α-helix	trans	-67.6	-47.1	174.6	-71.6	170	-175.3	176.6	0	111.6	D78 N79	D78-K82 VanDerWaalsContact O-CG 3.27Å; D78-K82 WeakPolarHBondContact O-CG 3.25Å; D78-K82 PolarHBondContact O-N 3.05Å; N79-K82 PolarHBondContact O-N 3.13Å
83	N	93.1	Very high	95.1	Very high	98 Å²	98	75.5 Å²	75.5	52%	0.524	35%	0.35	S	S	.	.			trans	-128	74.1	-171.8	-69.4	-25.9	0	0	0	111.1	N79 I80 L85 A86	N79-N83 PolarHBondContact O-N 3.44Å; I80-N83 CarbonylContact O-C 3.5Å; I80-N83 VanDerWaalsContact O-C 3.25Å; I80-N83 PolarHBondContact O-N 3.21Å; N83-L85 VanDerWaalsContact C-N 3.32Å; N83-L85 PolarHBondContact O-N 2.82Å; N83-A86 HydrophobicContact CB-CB 4.09Å; N83-A86 PolarHBondContact O-N 3.04Å
84	R	92.2	Very high	95.1	Very high	160 Å²	160	74.1 Å²	74.1	60%	0.604	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-35.3	-175.7	-175.1	173.9	178.8	164.2	-0.5	113.6	I80 W90 V116	I80-R84 WeakPolarHBondContact O-CA 3.26Å; I80-R84 PolarHBondContact O-N 3.37Å; R84-W90 HydrophobicContact CG-CZ2 4.47Å; R84-W90 PolarHBondContact O-NE1 3.16Å; R84-V116 HydrophobicContact CG-CG1 4.09Å; R84-V116 HydrophobicContact CG-CG2 4.07Å
85	L	92.5	Very high	95.1	Very high	144 Å²	144	72.1 Å²	72.1	75%	0.754	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-15.4	-176.1	-60	176.8	0	0	0	113.6	N83 M87 V116	N83-L85 VanDerWaalsContact C-N 3.32Å; N83-L85 PolarHBondContact O-N 2.82Å; L85-M87 WeakPolarHBondContact O-CE 3.36Å; L85-M87 PolarHBondContact O-N 3.03Å; L85-V116 HydrophobicContact CD2-CG1 4.22Å
86	A	92.6	Very high	95.1	Very high	40 Å²	40	69.2 Å²	69.2	33%	0.331	32%	0.32	S	S	.	.			trans	-77.1	89.9	-177.6	0	0	0	0	0	110.7	N83 Q88 N89	N83-A86 HydrophobicContact CB-CB 4.09Å; N83-A86 PolarHBondContact O-N 3.04Å; A86-Q88 PolarHBondContact O-N 3.27Å; A86-N89 WeakPolarHBondContact O-CB 3.47Å; A86-N89 PolarHBondContact O-N 3.06Å
87	M	92.2	Very high	95.1	Very high	16 Å²	16	66.5 Å²	66.5	8%	0.079	31%	0.309	C	S	.	.	H	α-helix	trans	-56.2	-25.6	-178.6	-63.6	-57.8	136.4	0	0	113.8	L85 N89 W90 I91 V116 D117 N120 L123	L85-M87 WeakPolarHBondContact O-CE 3.36Å; L85-M87 PolarHBondContact O-N 3.03Å; M87-N89 VanDerWaalsContact C-N 3.27Å; M87-N89 PolarHBondContact O-N 3.4Å; M87-W90 WeakPolarHBondContact O-CB 3.47Å; M87-W90 PolarHBondContact O-N 3.39Å; M87-I91 WeakPolarHBondContact O-CG1 3.29Å; M87-I91 PolarHBondContact O-N 3.32Å; M87-V116 HydrophobicContact CE-CB 4.06Å; M87-V116 HydrophobicContact CE-CG1 3.62Å; M87-D117 HydrophobicContact CE-CB 3.54Å; M87-D117 HydrophobicContact SD-CB 4.07Å; M87-N120 WeakPolarHBondContact CG-ND2 3.27Å; M87-L123 HydrophobicContact SD-CD2 4.27Å
88	Q	94.3	Very high	95.1	Very high	137 Å²	137	65.3 Å²	65.3	64%	0.64	30%	0.304	S	S	*	.	H	α-helix	trans	-60.1	-35.3	172.8	-65	-174.1	1.1	0	0	113	A86 K92	A86-Q88 PolarHBondContact O-N 3.27Å; Q88-K92 WeakPolarHBondContact O-CB 3.49Å; Q88-K92 WeakPolarHBondContact O-CG 3.3Å; Q88-K92 PolarHBondContact O-N 3.21Å
89	N	95.5	Very high	95	Very high	30 Å²	30	68.4 Å²	68.4	16%	0.16	32%	0.324	C	S	.	.	H	α-helix	trans	-66.9	-44.2	178.2	-68.1	-18.5	0	0	0	110.6	I80 A86 M87 K92 Y93	I80-N89 HydrophobicContact CG1-CB 4.12Å; A86-N89 WeakPolarHBondContact O-CB 3.47Å; A86-N89 PolarHBondContact O-N 3.06Å; M87-N89 VanDerWaalsContact C-N 3.27Å; M87-N89 PolarHBondContact O-N 3.4Å; N89-K92 PolarHBondContact O-N 3.05Å; N89-Y93 WeakPolarHBondContact O-CB 3.48Å; N89-Y93 PolarHBondContact O-N 3.18Å
90	W	96.8	Very high	94.8	Very high	9 Å²	9	67.7 Å²	67.7	3%	0.034	32%	0.318	C	S	.	.	H	α-helix	trans	-59.9	-49.2	174.2	-65.5	97	0	0	0	112	I80 R84 M87 K92 Y93 A94 V109 R112 A113 V116	I80-W90 HydrophobicContact CD1-CD2 3.95Å; I80-W90 HydrophobicContact CD1-CE3 3.8Å; I80-W90 HydrophobicContact CD1-CG 4.47Å; I80-W90 HydrophobicContact CD1-CZ3 4.13Å; I80-W90 HydrophobicContact CG1-CD2 4.21Å; I80-W90 HydrophobicContact CG2-CD2 4.21Å; I80-W90 HydrophobicContact CG2-CE3 4.43Å; I80-W90 HydrophobicContact CG2-CH2 3.52Å; I80-W90 HydrophobicContact CG2-CZ2 3.21Å; I80-W90 HydrophobicContact CG2-CZ3 4.11Å; R84-W90 HydrophobicContact CG-CZ2 4.47Å; R84-W90 PolarHBondContact O-NE1 3.16Å; M87-W90 WeakPolarHBondContact O-CB 3.47Å; M87-W90 PolarHBondContact O-N 3.39Å; W90-K92 PolarHBondContact O-N 2.93Å; W90-Y93 PolarHBondContact O-N 3.01Å; W90-A94 WeakPolarHBondContact O-CB 3.07Å; W90-A94 PolarHBondContact O-N 3.05Å; W90-V109 HydrophobicContact CE3-CG1 4.01Å; W90-R112 HydrophobicContact CE3-CB 4.45Å; W90-R112 HydrophobicContact CH2-CB 3.96Å; W90-R112 HydrophobicContact CZ3-CB 3.53Å; W90-A113 HydrophobicContact CB-CB 3.68Å; W90-A113 HydrophobicContact CD2-CB 3.68Å; W90-A113 HydrophobicContact CE3-CB 3.71Å; W90-A113 HydrophobicContact CG-CB 3.71Å; W90-V116 HydrophobicContact CH2-CG2 4.44Å; W90-V116 HydrophobicContact CZ2-CG2 3.81Å
91	I	96	Very high	94.6	Very high	31 Å²	31	69.9 Å²	69.9	16%	0.159	34%	0.343	C	S	.	.	H	α-helix	trans	-62.8	-41.8	179.1	-66.7	167.1	0	0	0	111.1	M87 K95 L123 K126	M87-I91 WeakPolarHBondContact O-CG1 3.29Å; M87-I91 PolarHBondContact O-N 3.32Å; I91-K95 HydrophobicContact CG2-CD 4.15Å; I91-K95 HydrophobicContact CG2-CG 4.45Å; I91-K95 WeakPolarHBondContact O-CB 3.39Å; I91-K95 VanDerWaalsContact O-CG 3.28Å; I91-K95 WeakPolarHBondContact O-CG 3.31Å; I91-K95 PolarHBondContact O-N 3.25Å; I91-L123 HydrophobicContact CD1-CD1 4.4Å; I91-L123 HydrophobicContact CG1-CD1 3.81Å; I91-K126 HydrophobicContact CG2-CG 4.48Å
92	K	96.2	Very high	94.6	Very high	113 Å²	113	65.2 Å²	65.2	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-63	-42.1	176.4	-76.4	172.1	-177.2	174.9	0	111.5	Y76 Q88 N89 W90 F96	Y76-K92 HydrophobicContact CE1-CB 4.1Å; Q88-K92 WeakPolarHBondContact O-CB 3.49Å; Q88-K92 WeakPolarHBondContact O-CG 3.3Å; Q88-K92 PolarHBondContact O-N 3.21Å; N89-K92 PolarHBondContact O-N 3.05Å; W90-K92 PolarHBondContact O-N 2.93Å; K92-F96 PolarHBondContact O-N 3.31Å
93	Y	97	Very high	94.6	Very high	10 Å²	10	59.2 Å²	59.2	4%	0.039	30%	0.304	C	S	.	.	H	α-helix	trans	-67.8	-45.4	178.1	-178.9	-152	0	0	0	112	R73 Y76 E77 I80 N89 W90 K95 F96 E97 V109	R73-Y93 HydrophobicContact CG-CE2 4.05Å; Y76-Y93 HydrophobicContact CD1-CG 4.45Å; Y76-Y93 AromaticContact CD2-CD2 3.55Å; Y76-Y93 HydrophobicContact CD2-CD2 3.55Å; Y76-Y93 HydrophobicContact CD2-CE2 4.21Å; Y76-Y93 HydrophobicContact CD2-CG 4.26Å; Y76-Y93 HydrophobicContact CE2-CD2 4.41Å; Y76-Y93 AromaticContact CG-CD2 3.63Å; Y76-Y93 HydrophobicContact CG-CD2 3.63Å; Y76-Y93 HydrophobicContact CG-CE2 4.45Å; Y76-Y93 AromaticContact CG-CG 3.87Å; Y76-Y93 HydrophobicContact CG-CG 3.87Å; E77-Y93 HydrophobicContact CG-CE1 4.27Å; E77-Y93 VanDerWaalsContact OE1-CE1 3.31Å; E77-Y93 WeakPolarHBondContact OE1-CE1 3.34Å; E77-Y93 PolarHBondContact OE1-OH 3.08Å; I80-Y93 HydrophobicContact CD1-CD1 3.61Å; I80-Y93 HydrophobicContact CD1-CE1 4.38Å; I80-Y93 HydrophobicContact CD1-CG 4.36Å; N89-Y93 WeakPolarHBondContact O-CB 3.48Å; N89-Y93 PolarHBondContact O-N 3.18Å; W90-Y93 PolarHBondContact O-N 3.01Å; Y93-K95 VanDerWaalsContact C-N 3.33Å; Y93-K95 PolarHBondContact O-N 3.29Å; Y93-F96 HydrophobicContact CD2-CD1 4.4Å; Y93-F96 WeakPolarHBondContact O-CA 3.49Å; Y93-F96 WeakPolarHBondContact O-CB 3.49Å; Y93-F96 PolarHBondContact O-N 2.86Å; Y93-E97 HydrophobicContact CD2-CG 4.21Å; Y93-E97 HydrophobicContact CE2-CG 3.82Å; Y93-E97 WeakPolarHBondContact CE2-OE1 3.33Å; Y93-E97 PolarHBondContact O-N 2.92Å; Y93-V109 HydrophobicContact CD1-CB 4.2Å; Y93-V109 HydrophobicContact CD1-CG1 3.51Å; Y93-V109 HydrophobicContact CD1-CG2 3.5Å; Y93-V109 VanDerWaalsContact CD1-CG2 3.5Å; Y93-V109 HydrophobicContact CE1-CB 4.45Å; Y93-V109 HydrophobicContact CE1-CG1 4.2Å; Y93-V109 HydrophobicContact CE1-CG2 3.34Å; Y93-V109 HydrophobicContact CG-CG1 4.06Å; Y93-V109 HydrophobicContact CG-CG2 4.18Å
94	A	96.7	Very high	94.7	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62.8	-40.7	177.8	0	0	0	0	0	111.8	W90 F96 E97 E98 V109 F110	W90-A94 WeakPolarHBondContact O-CB 3.07Å; W90-A94 PolarHBondContact O-N 3.05Å; A94-F96 VanDerWaalsContact C-N 3.31Å; A94-F96 PolarHBondContact O-N 3.29Å; A94-E97 PolarHBondContact O-N 3.25Å; A94-E98 WeakPolarHBondContact O-CB 3.1Å; A94-E98 PolarHBondContact O-N 3.14Å; A94-V109 HydrophobicContact CB-CB 4.08Å; A94-V109 HydrophobicContact CB-CG1 3.8Å; A94-F110 HydrophobicContact CB-CD1 4.11Å; A94-F110 HydrophobicContact CB-CD2 3.69Å; A94-F110 HydrophobicContact CB-CE1 3.83Å; A94-F110 HydrophobicContact CB-CE2 3.37Å; A94-F110 HydrophobicContact CB-CG 4.05Å; A94-F110 HydrophobicContact CB-CZ 3.45Å; A94-F110 VanDerWaalsContact CB-CZ 3.45Å
95	K	96.2	Very high	94.9	Very high	92 Å²	92	58.6 Å²	58.6	40%	0.4	30%	0.3	S	S	.	.	H	α-helix	trans	-62.8	-34.8	171.4	-77.6	-179.2	176.8	-174	0	112.7	I91 Y93 E98 T99	I91-K95 HydrophobicContact CG2-CD 4.15Å; I91-K95 HydrophobicContact CG2-CG 4.45Å; I91-K95 WeakPolarHBondContact O-CB 3.39Å; I91-K95 VanDerWaalsContact O-CG 3.28Å; I91-K95 WeakPolarHBondContact O-CG 3.31Å; I91-K95 PolarHBondContact O-N 3.25Å; Y93-K95 VanDerWaalsContact C-N 3.33Å; Y93-K95 PolarHBondContact O-N 3.29Å; K95-E98 WeakPolarHBondContact O-CB 3.29Å; K95-E98 PolarHBondContact O-N 2.85Å; K95-T99 WeakPolarHBondContact O-CG2 3.18Å; K95-T99 PolarHBondContact O-N 2.98Å
96	F	96.3	Very high	95.1	Very high	20 Å²	20	51.8 Å²	51.8	9%	0.088	26%	0.264	C	S	.	.	H	α-helix	trans	-65.8	-46.9	174.7	169.9	-98.9	0	0	0	111.3	F68 K72 Y76 K92 Y93 A94 E98 T99 Q100	F68-F96 AromaticContact CE1-CE2 3.97Å; F68-F96 HydrophobicContact CE1-CE2 3.97Å; F68-F96 HydrophobicContact CE1-CZ 4.11Å; F68-F96 HydrophobicContact CZ-CE2 4.37Å; K72-F96 HydrophobicContact CB-CE1 3.81Å; K72-F96 HydrophobicContact CB-CE2 4.05Å; K72-F96 HydrophobicContact CB-CZ 3.49Å; K72-F96 VanDerWaalsContact CB-CZ 3.49Å; K72-F96 HydrophobicContact CG-CE2 4.08Å; K72-F96 HydrophobicContact CG-CZ 3.92Å; Y76-F96 HydrophobicContact CD2-CB 4.46Å; Y76-F96 HydrophobicContact CD2-CD1 4.11Å; Y76-F96 HydrophobicContact CD2-CG 4.32Å; Y76-F96 HydrophobicContact CE2-CB 3.66Å; Y76-F96 AromaticContact CE2-CD1 3.78Å; Y76-F96 HydrophobicContact CE2-CD1 3.78Å; Y76-F96 HydrophobicContact CE2-CD2 4.1Å; Y76-F96 HydrophobicContact CE2-CE1 4.48Å; Y76-F96 AromaticContact CE2-CG 3.56Å; Y76-F96 HydrophobicContact CE2-CG 3.56Å; K92-F96 PolarHBondContact O-N 3.31Å; Y93-F96 HydrophobicContact CD2-CD1 4.4Å; Y93-F96 WeakPolarHBondContact O-CA 3.49Å; Y93-F96 WeakPolarHBondContact O-CB 3.49Å; Y93-F96 PolarHBondContact O-N 2.86Å; A94-F96 VanDerWaalsContact C-N 3.31Å; A94-F96 PolarHBondContact O-N 3.29Å; F96-E98 PolarHBondContact O-N 3.45Å; F96-T99 PolarHBondContact O-N 3.46Å; F96-T99 VanDerWaalsContact O-N 3.13Å; F96-T99 PolarHBondContact O-OG1 3.5Å; F96-Q100 HydrophobicContact CD1-CG 4.47Å; F96-Q100 HydrophobicContact CE1-CG 4.02Å; F96-Q100 HydrophobicContact CE2-CG 4.24Å; F96-Q100 HydrophobicContact CZ-CG 3.88Å; F96-Q100 WeakPolarHBondContact O-CG 3.3Å; F96-Q100 PolarHBondContact O-N 3.24Å
97	E	96.4	Very high	95.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.3	-33.9	175	-65.6	-65.6	164	0	0	111.7	R73 Y93 A94 Q100 G101 E102 R105 A106	R73-E97 VanDerWaalsContact CG-OE1 3.23Å; R73-E97 WeakPolarHBondContact CG-OE1 3.39Å; R73-E97 IonicContact CZ-OE1 2.88Å; R73-E97 IonicContact CZ-OE2 2.76Å; R73-E97 IonicContact NE-OE1 3.57Å; R73-E97 PolarHBondContact NE-OE1 3.1Å; R73-E97 IonicContact NE-OE2 3.32Å; R73-E97 IonicContact NH2-OE1 3.82Å; R73-E97 IonicContact NH2-OE2 3.77Å; R73-E97 PolarHBondContact NH2-OE2 2.95Å; Y93-E97 HydrophobicContact CD2-CG 4.21Å; Y93-E97 HydrophobicContact CE2-CG 3.82Å; Y93-E97 WeakPolarHBondContact CE2-OE1 3.33Å; Y93-E97 PolarHBondContact O-N 2.92Å; A94-E97 PolarHBondContact O-N 3.25Å; E97-Q100 PolarHBondContact O-N 2.89Å; E97-G101 PolarHBondContact O-N 3.48Å; E97-E102 PolarHBondContact O-N 3.22Å; E97-E102 VanDerWaalsContact O-N 3.08Å; E97-R105 HydrophobicContact CB-CB 4.14Å; E97-R105 HydrophobicContact CG-CB 3.93Å; E97-R105 VanDerWaalsContact OE2-CD 3.26Å; E97-R105 WeakPolarHBondContact OE2-CD 3.32Å; E97-A106 HydrophobicContact CB-CB 3.92Å
98	E	95.6	Very high	95.6	Very high	21 Å²	21	53.6 Å²	53.6	10%	0.098	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-45.4	171.1	-170.6	-162.9	156.4	0	0	111.8	A94 K95 F96 Q100 G101 M130 R133 H134	A94-E98 WeakPolarHBondContact O-CB 3.1Å; A94-E98 PolarHBondContact O-N 3.14Å; K95-E98 WeakPolarHBondContact O-CB 3.29Å; K95-E98 PolarHBondContact O-N 2.85Å; F96-E98 PolarHBondContact O-N 3.45Å; E98-Q100 VanDerWaalsContact C-N 3.27Å; E98-Q100 PolarHBondContact O-N 2.82Å; E98-G101 PolarHBondContact O-N 2.76Å; E98-M130 HydrophobicContact CB-CG 4.33Å; E98-M130 HydrophobicContact CG-CG 3.69Å; E98-R133 IonicContact OE1-CZ 3.32Å; E98-R133 IonicContact OE1-NE 3.74Å; E98-R133 IonicContact OE1-NH1 3.66Å; E98-R133 PolarHBondContact OE1-NH1 3.01Å; E98-R133 IonicContact OE1-NH2 3.45Å; E98-R133 PolarHBondContact OE1-NH2 2.77Å; E98-R133 IonicContact OE2-CZ 3.66Å; E98-R133 IonicContact OE2-NH1 3.4Å; E98-R133 IonicContact OE2-NH2 2.92Å; E98-R133 PolarHBondContact OE2-NH2 3.5Å; E98-H134 VanDerWaalsContact CG-NE2 3.26Å; E98-H134 WeakPolarHBondContact CG-NE2 3.37Å; E98-H134 IonicContact OE1-CD2 2.84Å; E98-H134 IonicContact OE1-NE2 2.72Å; E98-H134 PolarHBondContact OE1-NE2 2.72Å
99	T	94.6	Very high	95.7	Very high	105 Å²	105	47.2 Å²	47.2	64%	0.644	24%	0.241	S	C	*	.	H	α-helix	trans	-70.7	-22.1	177.8	62.1	0	0	0	0	113.3	K95 F96 G101	K95-T99 WeakPolarHBondContact O-CG2 3.18Å; K95-T99 PolarHBondContact O-N 2.98Å; F96-T99 PolarHBondContact O-N 3.46Å; F96-T99 VanDerWaalsContact O-N 3.13Å; F96-T99 PolarHBondContact O-OG1 3.5Å; T99-G101 PolarHBondContact O-N 2.86Å
100	Q	91.9	Very high	95.8	Very high	53 Å²	53	45.9 Å²	45.9	25%	0.248	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-9	170.3	-61.7	-52.6	-74	0	0	113	F96 E97 E98 E102	F96-Q100 HydrophobicContact CD1-CG 4.47Å; F96-Q100 HydrophobicContact CE1-CG 4.02Å; F96-Q100 HydrophobicContact CE2-CG 4.24Å; F96-Q100 HydrophobicContact CZ-CG 3.88Å; F96-Q100 WeakPolarHBondContact O-CG 3.3Å; F96-Q100 PolarHBondContact O-N 3.24Å; E97-Q100 PolarHBondContact O-N 2.89Å; E98-Q100 VanDerWaalsContact C-N 3.27Å; E98-Q100 PolarHBondContact O-N 2.82Å; Q100-E102 HydrophobicContact CB-CB 4.45Å; Q100-E102 HydrophobicContact CB-CG 4.18Å; Q100-E102 PolarHBondContact O-N 3.34Å
101	G	91.5	Very high	95.8	Very high	54 Å²	54	48 Å²	48	56%	0.557	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.3	4.7	-173.1	0	0	0	0	0	113.9	E97 E98 T99 L103	E97-G101 PolarHBondContact O-N 3.48Å; E98-G101 PolarHBondContact O-N 2.76Å; T99-G101 PolarHBondContact O-N 2.86Å; G101-L103 VanDerWaalsContact C-N 3.28Å; G101-L103 PolarHBondContact O-N 3.38Å
102	E	93.6	Very high	95.9	Very high	80 Å²	80	50.3 Å²	50.3	37%	0.374	25%	0.251	S	S	.	.			trans	-86.1	65.1	-177.9	-69.9	-73.3	-179.9	0	0	110.4	E97 Q100 Q104 R105 A106	E97-E102 PolarHBondContact O-N 3.22Å; E97-E102 VanDerWaalsContact O-N 3.08Å; Q100-E102 HydrophobicContact CB-CB 4.45Å; Q100-E102 HydrophobicContact CB-CG 4.18Å; Q100-E102 PolarHBondContact O-N 3.34Å; E102-Q104 PolarHBondContact O-N 3.41Å; E102-R105 HydrophobicContact CB-CB 4.21Å; E102-R105 HydrophobicContact CB-CG 4.32Å; E102-R105 WeakPolarHBondContact O-CB 3.5Å; E102-R105 PolarHBondContact O-N 3.12Å; E102-A106 PolarHBondContact O-N 3.41Å
103	L	95	Very high	95.9	Very high	31 Å²	31	45 Å²	45	16%	0.162	23%	0.228	C	C	.	.	H	α-helix	trans	-56.8	-36.3	-173.6	-60.7	-178.4	0	0	0	112.8	G101 R105 A106 R107 M130 H134	G101-L103 VanDerWaalsContact C-N 3.28Å; G101-L103 PolarHBondContact O-N 3.38Å; L103-R105 VanDerWaalsContact C-N 3.31Å; L103-R105 PolarHBondContact O-N 2.91Å; L103-A106 PolarHBondContact O-N 3.24Å; L103-R107 VanDerWaalsContact O-CG 3.3Å; L103-R107 WeakPolarHBondContact O-CG 3.34Å; L103-R107 PolarHBondContact O-N 3.29Å; L103-M130 HydrophobicContact CD2-SD 4.17Å; L103-H134 HydrophobicContact CD1-CB 3.94Å; L103-H134 HydrophobicContact CD2-CB 4.41Å
104	Q	96.4	Very high	95.9	Very high	129 Å²	129	44.9 Å²	44.9	60%	0.603	23%	0.228	S	C	*	.	H	α-helix	trans	-65.7	-34.6	179	-168.1	60.9	19	0	0	112.6	E102 S108	E102-Q104 PolarHBondContact O-N 3.41Å; Q104-S108 PolarHBondContact O-N 2.99Å; Q104-S108 VanDerWaalsContact O-N 3.12Å
105	R	95.4	Very high	95.8	Very high	116 Å²	116	51.2 Å²	51.2	44%	0.438	26%	0.262	S	S	.	.	H	α-helix	trans	-71	-44	172.6	-68.6	-177.2	176.3	-100.8	-3.5	110.5	E97 E102 L103 R107 S108 V109	E97-R105 HydrophobicContact CB-CB 4.14Å; E97-R105 HydrophobicContact CG-CB 3.93Å; E97-R105 VanDerWaalsContact OE2-CD 3.26Å; E97-R105 WeakPolarHBondContact OE2-CD 3.32Å; E102-R105 HydrophobicContact CB-CB 4.21Å; E102-R105 HydrophobicContact CB-CG 4.32Å; E102-R105 WeakPolarHBondContact O-CB 3.5Å; E102-R105 PolarHBondContact O-N 3.12Å; L103-R105 VanDerWaalsContact C-N 3.31Å; L103-R105 PolarHBondContact O-N 2.91Å; R105-R107 VanDerWaalsContact C-N 3.31Å; R105-R107 PolarHBondContact O-N 2.92Å; R105-S108 WeakPolarHBondContact O-CB 3.45Å; R105-S108 PolarHBondContact O-N 2.88Å; R105-S108 VanDerWaalsContact O-N 3.1Å; R105-V109 WeakPolarHBondContact O-CG2 3.33Å; R105-V109 PolarHBondContact O-N 3.43Å
106	A	97.1	Very high	95.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-56.9	-44.7	176.6	0	0	0	0	0	111.7	E97 E102 L103 V109 F110 M130	E97-A106 HydrophobicContact CB-CB 3.92Å; E102-A106 PolarHBondContact O-N 3.41Å; L103-A106 PolarHBondContact O-N 3.24Å; A106-V109 PolarHBondContact O-N 2.78Å; A106-F110 VanDerWaalsContact O-CD2 3.23Å; A106-F110 WeakPolarHBondContact O-CD2 3.29Å; A106-F110 PolarHBondContact O-N 3.04Å; A106-M130 HydrophobicContact CB-CE 3.86Å; A106-M130 HydrophobicContact CB-SD 4.43Å
107	R	97.5	Very high	95.7	Very high	34 Å²	34	50 Å²	50	13%	0.128	26%	0.262	C	S	.	.	H	α-helix	trans	-55.7	-51.3	171.6	-72	166.1	-174.7	175.4	-5.6	111.6	L103 R105 V109 F110 E111 Y127 E131 H139	L103-R107 VanDerWaalsContact O-CG 3.3Å; L103-R107 WeakPolarHBondContact O-CG 3.34Å; L103-R107 PolarHBondContact O-N 3.29Å; R105-R107 VanDerWaalsContact C-N 3.31Å; R105-R107 PolarHBondContact O-N 2.92Å; R107-V109 VanDerWaalsContact C-N 3.29Å; R107-V109 PolarHBondContact O-N 2.89Å; R107-F110 PolarHBondContact O-N 3.13Å; R107-F110 VanDerWaalsContact O-N 3.12Å; R107-E111 WeakPolarHBondContact O-CG 3.34Å; R107-E111 PolarHBondContact O-N 3.26Å; R107-Y127 HydrophobicContact CB-CE2 4.45Å; R107-Y127 HydrophobicContact CG-CE2 4.02Å; R107-E131 WeakPolarHBondContact CG-OE1 3.36Å; R107-E131 IonicContact CZ-OE1 3.85Å; R107-E131 IonicContact CZ-OE2 2.84Å; R107-E131 IonicContact NE-OE1 3.13Å; R107-E131 PolarHBondContact NE-OE1 3.26Å; R107-E131 IonicContact NE-OE2 3.12Å; R107-E131 PolarHBondContact NE-OE2 3.07Å; R107-E131 IonicContact NH2-OE1 3.63Å; R107-E131 IonicContact NH2-OE2 3.59Å; R107-E131 PolarHBondContact NH2-OE2 3.27Å; R107-H139 PolarHBondContact NH2-CD2 2.88Å; R107-H139 PolarHBondContact NH2-NE2 3.34Å
108	S	97.2	Very high	95.6	Very high	60 Å²	60	55 Å²	55	42%	0.42	28%	0.281	S	S	.	.	H	α-helix	trans	-58.2	-39.6	178.2	178.9	0	0	0	0	112.6	Q104 R105 R112	Q104-S108 PolarHBondContact O-N 2.99Å; Q104-S108 VanDerWaalsContact O-N 3.12Å; R105-S108 WeakPolarHBondContact O-CB 3.45Å; R105-S108 PolarHBondContact O-N 2.88Å; R105-S108 VanDerWaalsContact O-N 3.1Å; S108-R112 WeakPolarHBondContact O-CB 3.36Å; S108-R112 WeakPolarHBondContact O-CD 3.2Å; S108-R112 WeakPolarHBondContact O-CG 3.43Å; S108-R112 PolarHBondContact O-N 3.49Å
109	V	97	Very high	95.6	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.018	31%	0.307	C	S	.	.	H	α-helix	trans	-65.8	-43	176.1	178.3	0	0	0	0	111.2	W90 Y93 A94 R105 A106 R107 A113	W90-V109 HydrophobicContact CE3-CG1 4.01Å; Y93-V109 HydrophobicContact CD1-CB 4.2Å; Y93-V109 HydrophobicContact CD1-CG1 3.51Å; Y93-V109 HydrophobicContact CD1-CG2 3.5Å; Y93-V109 VanDerWaalsContact CD1-CG2 3.5Å; Y93-V109 HydrophobicContact CE1-CB 4.45Å; Y93-V109 HydrophobicContact CE1-CG1 4.2Å; Y93-V109 HydrophobicContact CE1-CG2 3.34Å; Y93-V109 HydrophobicContact CG-CG1 4.06Å; Y93-V109 HydrophobicContact CG-CG2 4.18Å; A94-V109 HydrophobicContact CB-CB 4.08Å; A94-V109 HydrophobicContact CB-CG1 3.8Å; R105-V109 WeakPolarHBondContact O-CG2 3.33Å; R105-V109 PolarHBondContact O-N 3.43Å; A106-V109 PolarHBondContact O-N 2.78Å; R107-V109 VanDerWaalsContact C-N 3.29Å; R107-V109 PolarHBondContact O-N 2.89Å; V109-A113 WeakPolarHBondContact O-CB 3.5Å; V109-A113 PolarHBondContact O-N 3.06Å
110	F	97.5	Very high	95.6	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.009	29%	0.289	C	S	.	.	H	α-helix	trans	-65.7	-45	176.2	-79.7	-62.8	0	0	0	112.6	A94 A106 R107 R112 A113 L114 L123 K126 Y127 M130	A94-F110 HydrophobicContact CB-CD1 4.11Å; A94-F110 HydrophobicContact CB-CD2 3.69Å; A94-F110 HydrophobicContact CB-CE1 3.83Å; A94-F110 HydrophobicContact CB-CE2 3.37Å; A94-F110 HydrophobicContact CB-CG 4.05Å; A94-F110 HydrophobicContact CB-CZ 3.45Å; A94-F110 VanDerWaalsContact CB-CZ 3.45Å; A106-F110 VanDerWaalsContact O-CD2 3.23Å; A106-F110 WeakPolarHBondContact O-CD2 3.29Å; A106-F110 PolarHBondContact O-N 3.04Å; R107-F110 PolarHBondContact O-N 3.13Å; R107-F110 VanDerWaalsContact O-N 3.12Å; F110-R112 PolarHBondContact O-N 2.76Å; F110-A113 WeakPolarHBondContact O-CB 3.17Å; F110-A113 PolarHBondContact O-N 2.9Å; F110-A113 VanDerWaalsContact O-N 3.12Å; F110-L114 WeakPolarHBondContact O-CG 3.37Å; F110-L114 PolarHBondContact O-N 2.83Å; F110-L123 HydrophobicContact CD1-CD1 3.68Å; F110-L123 HydrophobicContact CD1-CG 4.48Å; F110-L123 HydrophobicContact CE1-CD1 3.94Å; F110-K126 HydrophobicContact CE1-CB 4.25Å; F110-K126 HydrophobicContact CZ-CB 4.35Å; F110-Y127 HydrophobicContact CB-CD1 3.64Å; F110-Y127 HydrophobicContact CB-CD2 3.8Å; F110-Y127 HydrophobicContact CB-CE1 3.89Å; F110-Y127 HydrophobicContact CB-CE2 4.06Å; F110-Y127 HydrophobicContact CB-CG 3.59Å; F110-Y127 HydrophobicContact CD1-CG 4.15Å; F110-Y127 AromaticContact CD2-CD2 3.52Å; F110-Y127 HydrophobicContact CD2-CD2 3.52Å; F110-Y127 HydrophobicContact CD2-CE2 4.15Å; F110-Y127 AromaticContact CD2-CG 3.89Å; F110-Y127 HydrophobicContact CD2-CG 3.89Å; F110-Y127 HydrophobicContact CE2-CD2 4.22Å; F110-Y127 HydrophobicContact CG-CD1 4.19Å; F110-Y127 AromaticContact CG-CD2 3.75Å; F110-Y127 HydrophobicContact CG-CD2 3.75Å; F110-Y127 HydrophobicContact CG-CE2 4.41Å; F110-Y127 AromaticContact CG-CG 3.64Å; F110-Y127 HydrophobicContact CG-CG 3.64Å; F110-M130 HydrophobicContact CD2-CE 3.38Å; F110-M130 HydrophobicContact CE2-CB 4.37Å; F110-M130 HydrophobicContact CE2-CE 3.35Å; F110-M130 HydrophobicContact CE2-CG 4.45Å
111	E	97.4	Very high	95.8	Very high	55 Å²	55	59 Å²	59	26%	0.257	29%	0.29	S	S	.	.	H	α-helix	trans	-59.7	-46	175.7	-65.5	-61.9	150.8	0	0	111	R107 A113 L114 D115 Y127 R146	R107-E111 WeakPolarHBondContact O-CG 3.34Å; R107-E111 PolarHBondContact O-N 3.26Å; E111-A113 VanDerWaalsContact C-N 3.26Å; E111-A113 PolarHBondContact O-N 2.84Å; E111-L114 WeakPolarHBondContact O-CB 3.42Å; E111-L114 PolarHBondContact O-N 3.43Å; E111-L114 VanDerWaalsContact O-N 3.1Å; E111-D115 PolarHBondContact O-N 3.37Å; E111-Y127 WeakPolarHBondContact OE1-CE1 3.37Å; E111-Y127 PolarHBondContact OE1-OH 3.05Å; E111-R146 VanDerWaalsContact CD-NH2 3.31Å; E111-R146 IonicContact OE1-CZ 2.67Å; E111-R146 IonicContact OE1-NH1 3.56Å; E111-R146 PolarHBondContact OE1-NH1 2.75Å; E111-R146 IonicContact OE1-NH2 3.77Å; E111-R146 PolarHBondContact OE1-NH2 2.74Å; E111-R146 IonicContact OE2-CZ 3.04Å; E111-R146 IonicContact OE2-NH1 2.77Å; E111-R146 PolarHBondContact OE2-NH1 3.16Å; E111-R146 IonicContact OE2-NH2 3.76Å; E111-R146 PolarHBondContact OE2-NH2 3.49Å; E111-R146 VanDerWaalsContact OE2-NH2 3.1Å
112	R	96.8	Very high	96	Very high	79 Å²	79	57.8 Å²	57.8	30%	0.298	28%	0.278	S	S	.	.	H	α-helix	trans	-60.8	-35.3	174.7	-73.7	166.2	58.5	-163.3	-0.9	112.6	E77 W90 S108 F110 V116	E77-R112 IonicContact OE1-CZ 2.75Å; E77-R112 IonicContact OE1-NH1 2.77Å; E77-R112 PolarHBondContact OE1-NH1 3.4Å; E77-R112 IonicContact OE1-NH2 2.72Å; E77-R112 PolarHBondContact OE1-NH2 2.92Å; E77-R112 IonicContact OE2-CZ 2.85Å; E77-R112 IonicContact OE2-NH1 3.51Å; E77-R112 IonicContact OE2-NH2 3.56Å; E77-R112 PolarHBondContact OE2-NH2 2.77Å; W90-R112 HydrophobicContact CE3-CB 4.45Å; W90-R112 HydrophobicContact CH2-CB 3.96Å; W90-R112 HydrophobicContact CZ3-CB 3.53Å; S108-R112 WeakPolarHBondContact O-CB 3.36Å; S108-R112 WeakPolarHBondContact O-CD 3.2Å; S108-R112 WeakPolarHBondContact O-CG 3.43Å; S108-R112 PolarHBondContact O-N 3.49Å; F110-R112 PolarHBondContact O-N 2.76Å; R112-V116 WeakPolarHBondContact O-CG2 3.3Å; R112-V116 PolarHBondContact O-N 3Å
113	A	97	Very high	96.1	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70.1	-38.2	176.2	0	0	0	0	0	111.5	W90 V109 F110 E111 D115 V116 D117 L123	W90-A113 HydrophobicContact CB-CB 3.68Å; W90-A113 HydrophobicContact CD2-CB 3.68Å; W90-A113 HydrophobicContact CE3-CB 3.71Å; W90-A113 HydrophobicContact CG-CB 3.71Å; V109-A113 WeakPolarHBondContact O-CB 3.5Å; V109-A113 PolarHBondContact O-N 3.06Å; F110-A113 WeakPolarHBondContact O-CB 3.17Å; F110-A113 PolarHBondContact O-N 2.9Å; F110-A113 VanDerWaalsContact O-N 3.12Å; E111-A113 VanDerWaalsContact C-N 3.26Å; E111-A113 PolarHBondContact O-N 2.84Å; A113-D115 VanDerWaalsContact C-N 3.33Å; A113-V116 WeakPolarHBondContact O-CB 3.48Å; A113-V116 PolarHBondContact O-N 3.44Å; A113-V116 VanDerWaalsContact O-N 3.12Å; A113-D117 PolarHBondContact O-N 3.24Å; A113-L123 HydrophobicContact CB-CD1 3.96Å; A113-L123 HydrophobicContact CB-CD2 3.59Å; A113-L123 HydrophobicContact CB-CG 4.37Å
114	L	96.3	Very high	96.2	Very high	9 Å²	9	52.7 Å²	52.7	5%	0.047	25%	0.253	C	S	.	.	H	α-helix	trans	-65.6	-35.5	174	-70.8	175.4	0	0	0	111.8	F110 E111 V116 D117 Y118 L123 W124 Y127	F110-L114 WeakPolarHBondContact O-CG 3.37Å; F110-L114 PolarHBondContact O-N 2.83Å; E111-L114 WeakPolarHBondContact O-CB 3.42Å; E111-L114 PolarHBondContact O-N 3.43Å; E111-L114 VanDerWaalsContact O-N 3.1Å; L114-V116 PolarHBondContact O-N 2.94Å; L114-D117 CarbonylContact O-C 3.59Å; L114-D117 PolarHBondContact O-N 2.89Å; L114-Y118 WeakPolarHBondContact O-CA 3.47Å; L114-Y118 WeakPolarHBondContact O-CB 3.19Å; L114-Y118 PolarHBondContact O-N 2.93Å; L114-L123 HydrophobicContact CD2-CD2 3.72Å; L114-L123 HydrophobicContact CD2-CG 4.1Å; L114-L123 HydrophobicContact CG-CD2 4.1Å; L114-W124 HydrophobicContact CD1-CD2 4.4Å; L114-W124 HydrophobicContact CD1-CE3 4.36Å; L114-W124 HydrophobicContact CD1-CH2 3.9Å; L114-W124 HydrophobicContact CD1-CZ2 3.93Å; L114-W124 HydrophobicContact CD1-CZ3 4.15Å; L114-W124 HydrophobicContact CD2-CD2 3.83Å; L114-W124 HydrophobicContact CD2-CG 4.13Å; L114-W124 HydrophobicContact CD2-CH2 4.4Å; L114-W124 HydrophobicContact CD2-CZ2 3.62Å; L114-W124 VanDerWaalsContact CD2-NE1 3.27Å; L114-W124 HydrophobicContact CG-CZ2 4.34Å; L114-Y127 HydrophobicContact CD1-CD1 4.01Å; L114-Y127 HydrophobicContact CD1-CE1 4.17Å
115	D	96.2	Very high	96.2	Very high	132 Å²	132	47.6 Å²	47.6	71%	0.706	23%	0.23	S	C	*	.	H	α-helix	trans	-62.5	-25.6	172.3	-67.5	-28.3	0	0	0	112.5	E111 A113	E111-D115 PolarHBondContact O-N 3.37Å; A113-D115 VanDerWaalsContact C-N 3.33Å
116	V	95.4	Very high	96.2	Very high	35 Å²	35	45.6 Å²	45.6	21%	0.212	22%	0.224	C	C	.	.	H	α-helix	trans	-83.7	-51.2	175.2	-178.8	0	0	0	0	111.3	R84 L85 M87 W90 R112 A113 L114	R84-V116 HydrophobicContact CG-CG1 4.09Å; R84-V116 HydrophobicContact CG-CG2 4.07Å; L85-V116 HydrophobicContact CD2-CG1 4.22Å; M87-V116 HydrophobicContact CE-CB 4.06Å; M87-V116 HydrophobicContact CE-CG1 3.62Å; W90-V116 HydrophobicContact CH2-CG2 4.44Å; W90-V116 HydrophobicContact CZ2-CG2 3.81Å; R112-V116 WeakPolarHBondContact O-CG2 3.3Å; R112-V116 PolarHBondContact O-N 3Å; A113-V116 WeakPolarHBondContact O-CB 3.48Å; A113-V116 PolarHBondContact O-N 3.44Å; A113-V116 VanDerWaalsContact O-N 3.12Å; L114-V116 PolarHBondContact O-N 2.94Å
117	D	94	Very high	96.2	Very high	52 Å²	52	46.3 Å²	46.3	28%	0.278	23%	0.227	S	C	.	.			trans	-143.4	84.8	-180	-176.5	10.5	0	0	0	111.1	M87 A113 L114 R119 N120	M87-D117 HydrophobicContact CE-CB 3.54Å; M87-D117 HydrophobicContact SD-CB 4.07Å; A113-D117 PolarHBondContact O-N 3.24Å; L114-D117 CarbonylContact O-C 3.59Å; L114-D117 PolarHBondContact O-N 2.89Å; D117-R119 PolarHBondContact O-N 3.2Å; D117-R119 WeakPolarHBondContact OD1-CB 3.35Å; D117-R119 PolarHBondContact OD1-N 2.58Å; D117-N120 PolarHBondContact O-N 3.38Å; D117-N120 PolarHBondContact OD1-N 3.09Å
118	Y	95.4	Very high	96.2	Very high	104 Å²	104	44.7 Å²	44.7	41%	0.408	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-13	175	73.5	-90.5	0	0	0	112.3	L114 N120 W124 M151	L114-Y118 WeakPolarHBondContact O-CA 3.47Å; L114-Y118 WeakPolarHBondContact O-CB 3.19Å; L114-Y118 PolarHBondContact O-N 2.93Å; Y118-N120 VanDerWaalsContact C-N 3.33Å; Y118-W124 PolarHBondContact O-NE1 3.1Å; Y118-M151 WeakPolarHBondContact O-CE 3.39Å
119	R	95	Very high	96.1	Very high	172 Å²	172	43.8 Å²	43.8	65%	0.649	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-9.1	-178.1	-64.3	-177.2	178.2	-174.3	-1.6	113	D117 V121 M151	D117-R119 PolarHBondContact O-N 3.2Å; D117-R119 WeakPolarHBondContact OD1-CB 3.35Å; D117-R119 PolarHBondContact OD1-N 2.58Å; R119-V121 PolarHBondContact O-N 2.83Å; R119-M151 HydrophobicContact CB-SD 4.45Å
120	N	95	Very high	96	Very high	49 Å²	49	43.7 Å²	43.7	26%	0.262	21%	0.209	S	C	.	.			trans	-73.1	101.3	-178.9	-164.9	-52.2	0	0	0	111.9	M87 D117 Y118 G122 L123 W124	M87-N120 WeakPolarHBondContact CG-ND2 3.27Å; D117-N120 PolarHBondContact O-N 3.38Å; D117-N120 PolarHBondContact OD1-N 3.09Å; Y118-N120 VanDerWaalsContact C-N 3.33Å; N120-G122 VanDerWaalsContact C-N 3.28Å; N120-G122 PolarHBondContact O-N 3.34Å; N120-G122 PolarHBondContact OD1-N 2.85Å; N120-G122 VanDerWaalsContact OD1-N 3.09Å; N120-L123 HydrophobicContact CB-CB 3.98Å; N120-L123 WeakPolarHBondContact O-CB 3.39Å; N120-L123 PolarHBondContact O-N 3.05Å; N120-L123 VanDerWaalsContact O-N 3.09Å; N120-L123 PolarHBondContact OD1-N 3.16Å; N120-W124 VanDerWaalsContact O-CD1 3.31Å; N120-W124 PolarHBondContact O-N 3.29Å
121	V	95.5	Very high	96	Very high	42 Å²	42	43.7 Å²	43.7	26%	0.255	21%	0.209	S	C	.	.	H	α-helix	trans	-55.6	-42.7	179.9	179.2	0	0	0	0	112.3	R119 L123 W124 L125 A154 Q156 F157	R119-V121 PolarHBondContact O-N 2.83Å; V121-L123 PolarHBondContact O-N 2.86Å; V121-W124 PolarHBondContact O-N 2.89Å; V121-L125 HydrophobicContact CG1-CD1 4.26Å; V121-L125 HydrophobicContact CG1-CG 4.28Å; V121-L125 WeakPolarHBondContact O-CG 3.42Å; V121-L125 PolarHBondContact O-N 3.43Å; V121-A154 HydrophobicContact CG2-CB 4.27Å; V121-Q156 VanDerWaalsContact CG1-OE1 3.22Å; V121-F157 HydrophobicContact CB-CE1 4.42Å; V121-F157 HydrophobicContact CB-CZ 4.12Å; V121-F157 HydrophobicContact CG1-CD1 4.47Å; V121-F157 HydrophobicContact CG1-CE1 3.63Å; V121-F157 HydrophobicContact CG1-CZ 3.76Å; V121-F157 HydrophobicContact CG2-CZ 4.15Å
122	G	95.1	Very high	95.8	Very high	30 Å²	30	44 Å²	44	31%	0.309	21%	0.212	S	C	.	.	H	α-helix	trans	-61.7	-31.8	-179.5	0	0	0	0	0	113.5	N120 K126	N120-G122 VanDerWaalsContact C-N 3.28Å; N120-G122 PolarHBondContact O-N 3.34Å; N120-G122 PolarHBondContact OD1-N 2.85Å; N120-G122 VanDerWaalsContact OD1-N 3.09Å; G122-K126 VanDerWaalsContact O-CG 3.26Å; G122-K126 WeakPolarHBondContact O-CG 3.28Å; G122-K126 PolarHBondContact O-N 3.03Å; G122-K126 VanDerWaalsContact O-N 3.09Å
123	L	95.9	Very high	95.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67.6	-48.8	177.7	-174.4	63.2	0	0	0	111.4	M87 I91 F110 A113 L114 N120 V121 L125 K126 Y127	M87-L123 HydrophobicContact SD-CD2 4.27Å; I91-L123 HydrophobicContact CD1-CD1 4.4Å; I91-L123 HydrophobicContact CG1-CD1 3.81Å; F110-L123 HydrophobicContact CD1-CD1 3.68Å; F110-L123 HydrophobicContact CD1-CG 4.48Å; F110-L123 HydrophobicContact CE1-CD1 3.94Å; A113-L123 HydrophobicContact CB-CD1 3.96Å; A113-L123 HydrophobicContact CB-CD2 3.59Å; A113-L123 HydrophobicContact CB-CG 4.37Å; L114-L123 HydrophobicContact CD2-CD2 3.72Å; L114-L123 HydrophobicContact CD2-CG 4.1Å; L114-L123 HydrophobicContact CG-CD2 4.1Å; N120-L123 HydrophobicContact CB-CB 3.98Å; N120-L123 WeakPolarHBondContact O-CB 3.39Å; N120-L123 PolarHBondContact O-N 3.05Å; N120-L123 VanDerWaalsContact O-N 3.09Å; N120-L123 PolarHBondContact OD1-N 3.16Å; V121-L123 PolarHBondContact O-N 2.86Å; L123-L125 PolarHBondContact O-N 2.67Å; L123-K126 PolarHBondContact O-N 2.96Å; L123-Y127 WeakPolarHBondContact O-CB 3.43Å; L123-Y127 PolarHBondContact O-N 3.1Å
124	W	97.1	Very high	95.6	Very high	3 Å²	3	50.1 Å²	50.1	1%	0.011	24%	0.237	C	C	.	.	H	α-helix	trans	-58.3	-46.3	175.1	-72.8	92.8	0	0	0	112.2	L114 Y118 N120 V121 K126 Y127 A128 L143 R146 A147 L150 M151 F157	L114-W124 HydrophobicContact CD1-CD2 4.4Å; L114-W124 HydrophobicContact CD1-CE3 4.36Å; L114-W124 HydrophobicContact CD1-CH2 3.9Å; L114-W124 HydrophobicContact CD1-CZ2 3.93Å; L114-W124 HydrophobicContact CD1-CZ3 4.15Å; L114-W124 HydrophobicContact CD2-CD2 3.83Å; L114-W124 HydrophobicContact CD2-CG 4.13Å; L114-W124 HydrophobicContact CD2-CH2 4.4Å; L114-W124 HydrophobicContact CD2-CZ2 3.62Å; L114-W124 VanDerWaalsContact CD2-NE1 3.27Å; L114-W124 HydrophobicContact CG-CZ2 4.34Å; Y118-W124 PolarHBondContact O-NE1 3.1Å; N120-W124 VanDerWaalsContact O-CD1 3.31Å; N120-W124 PolarHBondContact O-N 3.29Å; V121-W124 PolarHBondContact O-N 2.89Å; W124-K126 VanDerWaalsContact C-N 3.34Å; W124-K126 PolarHBondContact O-N 3.38Å; W124-Y127 PolarHBondContact O-N 2.81Å; W124-A128 WeakPolarHBondContact O-CB 3.47Å; W124-A128 PolarHBondContact O-N 3.3Å; W124-L143 HydrophobicContact CE3-CD1 3.66Å; W124-L143 HydrophobicContact CE3-CG 4.15Å; W124-L143 HydrophobicContact CZ3-CD1 3.46Å; W124-L143 VanDerWaalsContact CZ3-CD1 3.46Å; W124-L143 HydrophobicContact CZ3-CG 4.28Å; W124-R146 HydrophobicContact CH2-CB 4.42Å; W124-R146 HydrophobicContact CH2-CG 3.92Å; W124-R146 HydrophobicContact CZ3-CB 4.2Å; W124-R146 HydrophobicContact CZ3-CG 4.2Å; W124-A147 HydrophobicContact CD2-CB 4.01Å; W124-A147 HydrophobicContact CE3-CB 3.51Å; W124-A147 HydrophobicContact CZ3-CB 3.95Å; W124-L150 HydrophobicContact CH2-CD1 3.62Å; W124-L150 HydrophobicContact CZ2-CD1 3.61Å; W124-M151 HydrophobicContact CD2-CE 4.46Å; W124-M151 HydrophobicContact CG-CE 4.1Å; W124-F157 HydrophobicContact CB-CE1 3.61Å; W124-F157 HydrophobicContact CB-CZ 3.68Å; W124-F157 HydrophobicContact CG-CE1 4.35Å; W124-F157 AromaticContact CG-CZ 3.94Å; W124-F157 HydrophobicContact CG-CZ 3.94Å
125	L	96.8	Very high	95.4	Very high	22 Å²	22	58.2 Å²	58.2	12%	0.115	27%	0.272	C	S	.	.	H	α-helix	trans	-57	-47.8	177.7	-68.8	-174.4	0	0	0	111.5	V121 L123 Y127 A128 E129 W144 F157 K160	V121-L125 HydrophobicContact CG1-CD1 4.26Å; V121-L125 HydrophobicContact CG1-CG 4.28Å; V121-L125 WeakPolarHBondContact O-CG 3.42Å; V121-L125 PolarHBondContact O-N 3.43Å; L123-L125 PolarHBondContact O-N 2.67Å; L125-Y127 VanDerWaalsContact C-N 3.35Å; L125-Y127 PolarHBondContact O-N 2.88Å; L125-A128 PolarHBondContact O-N 2.93Å; L125-E129 WeakPolarHBondContact O-CB 3.47Å; L125-E129 WeakPolarHBondContact O-CG 3.48Å; L125-E129 PolarHBondContact O-N 3.44Å; L125-W144 HydrophobicContact CD2-CH2 3.62Å; L125-W144 HydrophobicContact CD2-CZ3 3.97Å; L125-F157 HydrophobicContact CD2-CD1 3.9Å; L125-F157 HydrophobicContact CD2-CE1 3.97Å; L125-F157 HydrophobicContact CG-CE1 4.22Å; L125-K160 HydrophobicContact CD2-CD 3.45Å; L125-K160 VanDerWaalsContact CD2-CD 3.45Å
126	K	96.2	Very high	95.4	Very high	74 Å²	74	55.3 Å²	55.3	32%	0.322	25%	0.254	S	S	.	.	H	α-helix	trans	-68	-35.7	-178.8	-68.7	-68.4	155.7	-143	0	112.6	I91 F110 G122 L123 W124 E129 M130	I91-K126 HydrophobicContact CG2-CG 4.48Å; F110-K126 HydrophobicContact CE1-CB 4.25Å; F110-K126 HydrophobicContact CZ-CB 4.35Å; G122-K126 VanDerWaalsContact O-CG 3.26Å; G122-K126 WeakPolarHBondContact O-CG 3.28Å; G122-K126 PolarHBondContact O-N 3.03Å; G122-K126 VanDerWaalsContact O-N 3.09Å; L123-K126 PolarHBondContact O-N 2.96Å; W124-K126 VanDerWaalsContact C-N 3.34Å; W124-K126 PolarHBondContact O-N 3.38Å; K126-E129 IonicContact NZ-OE2 2.84Å; K126-E129 PolarHBondContact NZ-OE2 2.69Å; K126-M130 WeakPolarHBondContact O-CB 3.23Å; K126-M130 PolarHBondContact O-N 2.85Å
127	Y	97.1	Very high	95.4	Very high	16 Å²	16	55.8 Å²	55.8	6%	0.063	26%	0.257	C	S	.	.	H	α-helix	trans	-67.7	-48.1	176.7	-174.8	-165.5	0	0	0	111.2	R107 F110 E111 L114 L123 W124 L125 E129 M130 E131 L143	R107-Y127 HydrophobicContact CB-CE2 4.45Å; R107-Y127 HydrophobicContact CG-CE2 4.02Å; F110-Y127 HydrophobicContact CB-CD1 3.64Å; F110-Y127 HydrophobicContact CB-CD2 3.8Å; F110-Y127 HydrophobicContact CB-CE1 3.89Å; F110-Y127 HydrophobicContact CB-CE2 4.06Å; F110-Y127 HydrophobicContact CB-CG 3.59Å; F110-Y127 HydrophobicContact CD1-CG 4.15Å; F110-Y127 AromaticContact CD2-CD2 3.52Å; F110-Y127 HydrophobicContact CD2-CD2 3.52Å; F110-Y127 HydrophobicContact CD2-CE2 4.15Å; F110-Y127 AromaticContact CD2-CG 3.89Å; F110-Y127 HydrophobicContact CD2-CG 3.89Å; F110-Y127 HydrophobicContact CE2-CD2 4.22Å; F110-Y127 HydrophobicContact CG-CD1 4.19Å; F110-Y127 AromaticContact CG-CD2 3.75Å; F110-Y127 HydrophobicContact CG-CD2 3.75Å; F110-Y127 HydrophobicContact CG-CE2 4.41Å; F110-Y127 AromaticContact CG-CG 3.64Å; F110-Y127 HydrophobicContact CG-CG 3.64Å; E111-Y127 WeakPolarHBondContact OE1-CE1 3.37Å; E111-Y127 PolarHBondContact OE1-OH 3.05Å; L114-Y127 HydrophobicContact CD1-CD1 4.01Å; L114-Y127 HydrophobicContact CD1-CE1 4.17Å; L123-Y127 WeakPolarHBondContact O-CB 3.43Å; L123-Y127 PolarHBondContact O-N 3.1Å; W124-Y127 PolarHBondContact O-N 2.81Å; L125-Y127 VanDerWaalsContact C-N 3.35Å; L125-Y127 PolarHBondContact O-N 2.88Å; Y127-E129 PolarHBondContact O-N 3.47Å; Y127-M130 HydrophobicContact CD2-CE 3.7Å; Y127-M130 HydrophobicContact CE2-CE 3.91Å; Y127-M130 WeakPolarHBondContact O-CB 3.34Å; Y127-M130 PolarHBondContact O-N 2.75Å; Y127-M130 VanDerWaalsContact O-N 3.13Å; Y127-E131 HydrophobicContact CD2-CG 4.42Å; Y127-E131 HydrophobicContact CE2-CG 4.2Å; Y127-E131 PolarHBondContact O-N 3.49Å; Y127-E131 VanDerWaalsContact O-N 3.16Å; Y127-L143 HydrophobicContact CD1-CD1 3.41Å; Y127-L143 VanDerWaalsContact CD1-CD1 3.41Å; Y127-L143 HydrophobicContact CD1-CD2 3.37Å; Y127-L143 HydrophobicContact CD1-CG 4.05Å; Y127-L143 HydrophobicContact CD2-CD2 3.8Å; Y127-L143 HydrophobicContact CE1-CD1 3.42Å; Y127-L143 VanDerWaalsContact CE1-CD1 3.42Å; Y127-L143 HydrophobicContact CE1-CD2 3.85Å; Y127-L143 HydrophobicContact CE1-CG 4.3Å; Y127-L143 HydrophobicContact CE2-CD2 4.22Å; Y127-L143 HydrophobicContact CG-CD1 4.27Å; Y127-L143 HydrophobicContact CG-CD2 3.35Å; Y127-L143 HydrophobicContact CG-CG 4.47Å
128	A	96.4	Very high	95.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.1	-39.9	177.6	0	0	0	0	0	112.5	W124 L125 M130 E131 M132 L143 W144	W124-A128 WeakPolarHBondContact O-CB 3.47Å; W124-A128 PolarHBondContact O-N 3.3Å; L125-A128 PolarHBondContact O-N 2.93Å; A128-M130 PolarHBondContact O-N 3.02Å; A128-E131 PolarHBondContact O-N 3.02Å; A128-M132 WeakPolarHBondContact O-CB 3.36Å; A128-M132 VanDerWaalsContact O-CG 3.3Å; A128-M132 WeakPolarHBondContact O-CG 3.36Å; A128-M132 PolarHBondContact O-N 3.35Å; A128-L143 VanDerWaalsContact CA-CD2 3.44Å; A128-L143 HydrophobicContact CB-CD2 3.69Å; A128-L143 HydrophobicContact CB-CG 4.35Å; A128-W144 HydrophobicContact CB-CD2 3.96Å; A128-W144 VanDerWaalsContact CB-CE2 3.46Å; A128-W144 HydrophobicContact CB-CE3 4.28Å; A128-W144 HydrophobicContact CB-CH2 3.69Å; A128-W144 HydrophobicContact CB-CZ2 3.35Å; A128-W144 HydrophobicContact CB-CZ3 4.13Å
129	E	95.3	Very high	95.5	Very high	41 Å²	41	57.2 Å²	57.2	19%	0.192	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-30.3	172.9	-75.2	170.6	-178.8	0	0	112.9	L125 K126 Y127 M132 R133 K160	L125-E129 WeakPolarHBondContact O-CB 3.47Å; L125-E129 WeakPolarHBondContact O-CG 3.48Å; L125-E129 PolarHBondContact O-N 3.44Å; K126-E129 IonicContact NZ-OE2 2.84Å; K126-E129 PolarHBondContact NZ-OE2 2.69Å; Y127-E129 PolarHBondContact O-N 3.47Å; E129-M132 HydrophobicContact CB-CE 4.32Å; E129-M132 HydrophobicContact CG-CE 3.84Å; E129-R133 WeakPolarHBondContact O-CB 3.49Å; E129-R133 WeakPolarHBondContact O-CG 3.45Å; E129-R133 PolarHBondContact O-N 3.39Å; E129-R133 PolarHBondContact O-NE 3.28Å; E129-R133 VanDerWaalsContact O-NE 3.11Å; E129-K160 IonicContact OE1-NZ 3.38Å; E129-K160 PolarHBondContact OE1-NZ 3.49Å
130	M	95.9	Very high	95.5	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-69.4	-49.5	174.6	-178.3	-95.6	-68	0	0	110.8	E98 L103 A106 F110 K126 Y127 A128 M132 R133 H134	E98-M130 HydrophobicContact CB-CG 4.33Å; E98-M130 HydrophobicContact CG-CG 3.69Å; L103-M130 HydrophobicContact CD2-SD 4.17Å; A106-M130 HydrophobicContact CB-CE 3.86Å; A106-M130 HydrophobicContact CB-SD 4.43Å; F110-M130 HydrophobicContact CD2-CE 3.38Å; F110-M130 HydrophobicContact CE2-CB 4.37Å; F110-M130 HydrophobicContact CE2-CE 3.35Å; F110-M130 HydrophobicContact CE2-CG 4.45Å; K126-M130 WeakPolarHBondContact O-CB 3.23Å; K126-M130 PolarHBondContact O-N 2.85Å; Y127-M130 HydrophobicContact CD2-CE 3.7Å; Y127-M130 HydrophobicContact CE2-CE 3.91Å; Y127-M130 WeakPolarHBondContact O-CB 3.34Å; Y127-M130 PolarHBondContact O-N 2.75Å; Y127-M130 VanDerWaalsContact O-N 3.13Å; A128-M130 PolarHBondContact O-N 3.02Å; M130-M132 VanDerWaalsContact C-N 3.34Å; M130-M132 PolarHBondContact O-N 2.78Å; M130-R133 PolarHBondContact O-N 2.78Å; M130-H134 PolarHBondContact O-CD2 3.27Å; M130-H134 PolarHBondContact O-N 3.15Å
131	E	96.3	Very high	95.6	Very high	2 Å²	2	50 Å²	50	1%	0.009	24%	0.238	C	C	.	.	H	α-helix	trans	-61.4	-40.7	176.2	-64.9	-64.1	153.3	0	0	112.2	R107 Y127 A128 H134 K135 Q136 H139 A140	R107-E131 WeakPolarHBondContact CG-OE1 3.36Å; R107-E131 IonicContact CZ-OE1 3.85Å; R107-E131 IonicContact CZ-OE2 2.84Å; R107-E131 IonicContact NE-OE1 3.13Å; R107-E131 PolarHBondContact NE-OE1 3.26Å; R107-E131 IonicContact NE-OE2 3.12Å; R107-E131 PolarHBondContact NE-OE2 3.07Å; R107-E131 IonicContact NH2-OE1 3.63Å; R107-E131 IonicContact NH2-OE2 3.59Å; R107-E131 PolarHBondContact NH2-OE2 3.27Å; Y127-E131 HydrophobicContact CD2-CG 4.42Å; Y127-E131 HydrophobicContact CE2-CG 4.2Å; Y127-E131 PolarHBondContact O-N 3.49Å; Y127-E131 VanDerWaalsContact O-N 3.16Å; A128-E131 PolarHBondContact O-N 3.02Å; E131-H134 PolarHBondContact O-N 3.22Å; E131-K135 PolarHBondContact O-N 2.98Å; E131-Q136 HydrophobicContact CB-CB 4.27Å; E131-Q136 PolarHBondContact O-N 3.31Å; E131-Q136 WeakPolarHBondContact OE2-CB 3.43Å; E131-H139 HydrophobicContact CB-CB 4.42Å; E131-H139 HydrophobicContact CG-CB 4.08Å; E131-H139 WeakPolarHBondContact OE2-CB 3.22Å; E131-H139 IonicContact OE2-CG 3.22Å; E131-A140 HydrophobicContact CB-CB 3.98Å
132	M	94.3	Very high	95.7	Very high	63 Å²	63	53.2 Å²	53.2	31%	0.31	25%	0.254	S	S	.	.	H	α-helix	trans	-62.8	-43.7	176.2	-71.6	-173	-61.1	0	0	112.3	A128 E129 M130 H134 K135 A140 W144 M164	A128-M132 WeakPolarHBondContact O-CB 3.36Å; A128-M132 VanDerWaalsContact O-CG 3.3Å; A128-M132 WeakPolarHBondContact O-CG 3.36Å; A128-M132 PolarHBondContact O-N 3.35Å; E129-M132 HydrophobicContact CB-CE 4.32Å; E129-M132 HydrophobicContact CG-CE 3.84Å; M130-M132 VanDerWaalsContact C-N 3.34Å; M130-M132 PolarHBondContact O-N 2.78Å; M132-H134 VanDerWaalsContact C-N 3.28Å; M132-H134 PolarHBondContact O-N 3.27Å; M132-K135 PolarHBondContact O-N 3.5Å; M132-K135 VanDerWaalsContact O-N 3.14Å; M132-A140 HydrophobicContact CG-CB 3.74Å; M132-W144 HydrophobicContact CE-CZ2 3.88Å; M132-M164 HydrophobicContact CG-SD 3.94Å; M132-M164 HydrophobicContact SD-CB 4.28Å; M132-M164 HydrophobicContact SD-CG 3.93Å; M132-M164 HydrophobicContact SD-SD 3.69Å; M132-M164 VanDerWaalsContact SD-SD 3.69Å
133	R	94	Very high	95.8	Very high	139 Å²	139	52 Å²	52	53%	0.525	24%	0.241	S	C	.	.	H	α-helix	trans	-61.9	-35.7	178.4	-80.6	-178.5	-68.3	145.6	3.9	112.5	E98 E129 M130 K135	E98-R133 IonicContact OE1-CZ 3.32Å; E98-R133 IonicContact OE1-NE 3.74Å; E98-R133 IonicContact OE1-NH1 3.66Å; E98-R133 PolarHBondContact OE1-NH1 3.01Å; E98-R133 IonicContact OE1-NH2 3.45Å; E98-R133 PolarHBondContact OE1-NH2 2.77Å; E98-R133 IonicContact OE2-CZ 3.66Å; E98-R133 IonicContact OE2-NH1 3.4Å; E98-R133 IonicContact OE2-NH2 2.92Å; E98-R133 PolarHBondContact OE2-NH2 3.5Å; E129-R133 WeakPolarHBondContact O-CB 3.49Å; E129-R133 WeakPolarHBondContact O-CG 3.45Å; E129-R133 PolarHBondContact O-N 3.39Å; E129-R133 PolarHBondContact O-NE 3.28Å; E129-R133 VanDerWaalsContact O-NE 3.11Å; M130-R133 PolarHBondContact O-N 2.78Å; R133-K135 VanDerWaalsContact C-N 3.27Å; R133-K135 PolarHBondContact O-N 3.05Å
134	H	94.4	Very high	95.9	Very high	67 Å²	67	52.1 Å²	52.1	31%	0.31	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	15.5	178.8	-68.2	-69.1	0	0	0	113.7	E98 L103 M130 E131 M132 Q136	E98-H134 VanDerWaalsContact CG-NE2 3.26Å; E98-H134 WeakPolarHBondContact CG-NE2 3.37Å; E98-H134 IonicContact OE1-CD2 2.84Å; E98-H134 IonicContact OE1-NE2 2.72Å; E98-H134 PolarHBondContact OE1-NE2 2.72Å; L103-H134 HydrophobicContact CD1-CB 3.94Å; L103-H134 HydrophobicContact CD2-CB 4.41Å; M130-H134 PolarHBondContact O-CD2 3.27Å; M130-H134 PolarHBondContact O-N 3.15Å; E131-H134 PolarHBondContact O-N 3.22Å; M132-H134 VanDerWaalsContact C-N 3.28Å; M132-H134 PolarHBondContact O-N 3.27Å; H134-Q136 HydrophobicContact CB-CG 4.36Å; H134-Q136 PolarHBondContact O-N 2.97Å; H134-Q136 VanDerWaalsContact O-N 3.16Å
135	K	93.1	Very high	95.8	Very high	180 Å²	180	54.6 Å²	54.6	78%	0.783	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	22.5	177.1	-53.6	179.4	-179.4	-179.9	0	114	E131 M132 R133 V137	E131-K135 PolarHBondContact O-N 2.98Å; M132-K135 PolarHBondContact O-N 3.5Å; M132-K135 VanDerWaalsContact O-N 3.14Å; R133-K135 VanDerWaalsContact C-N 3.27Å; R133-K135 PolarHBondContact O-N 3.05Å; K135-V137 VanDerWaalsContact C-N 3.27Å; K135-V137 PolarHBondContact O-N 3.4Å; K135-V137 VanDerWaalsContact O-N 3.07Å
136	Q	94.9	Very high	95.9	Very high	71 Å²	71	57.6 Å²	57.6	33%	0.332	26%	0.264	S	S	.	.			trans	-87.1	65.6	177.9	-63.7	-59.5	-29.6	0	0	110.3	E131 H134 N138 H139 A140	E131-Q136 HydrophobicContact CB-CB 4.27Å; E131-Q136 PolarHBondContact O-N 3.31Å; E131-Q136 WeakPolarHBondContact OE2-CB 3.43Å; H134-Q136 HydrophobicContact CB-CG 4.36Å; H134-Q136 PolarHBondContact O-N 2.97Å; H134-Q136 VanDerWaalsContact O-N 3.16Å; Q136-N138 PolarHBondContact O-N 3.06Å; Q136-H139 HydrophobicContact CB-CB 4.18Å; Q136-H139 PolarHBondContact O-N 3.24Å; Q136-A140 PolarHBondContact O-N 3.44Å
137	V	95	Very high	95.9	Very high	45 Å²	45	54.1 Å²	54.1	27%	0.273	25%	0.249	S	C	.	.	H	α-helix	trans	-59.3	-44.2	-169.1	179.8	0	0	0	0	112.6	K135 H139 A140 R141 L168	K135-V137 VanDerWaalsContact C-N 3.27Å; K135-V137 PolarHBondContact O-N 3.4Å; K135-V137 VanDerWaalsContact O-N 3.07Å; V137-H139 VanDerWaalsContact C-N 3.34Å; V137-H139 PolarHBondContact O-N 3.13Å; V137-A140 PolarHBondContact O-N 3.02Å; V137-R141 HydrophobicContact CG1-CG 4.45Å; V137-R141 WeakPolarHBondContact O-CG 3.4Å; V137-R141 PolarHBondContact O-N 3.48Å; V137-L168 HydrophobicContact CG1-CD1 3.52Å; V137-L168 HydrophobicContact CG2-CD2 4.38Å
138	N	95.8	Very high	95.9	Very high	105 Å²	105	53.4 Å²	53.4	56%	0.561	25%	0.247	S	C	*	.	H	α-helix	trans	-68.1	-34.5	-178.7	-67.4	-24.1	0	0	0	112.4	Q136 R141 N142	Q136-N138 PolarHBondContact O-N 3.06Å; N138-R141 PolarHBondContact O-N 3.32Å; N138-R141 PolarHBondContact OD1-NH1 3.34Å; N138-N142 PolarHBondContact O-N 3.36Å; N138-N142 PolarHBondContact O-ND2 2.99Å; N138-N142 PolarHBondContact O-OD1 3.45Å
139	H	96	Very high	95.9	Very high	81 Å²	81	57.6 Å²	57.6	38%	0.375	27%	0.272	S	S	.	.	H	α-helix	trans	-67	-42.1	172.9	-70.3	-70.9	0	0	0	111.1	R107 E131 Q136 V137 N142 L143	R107-H139 PolarHBondContact NH2-CD2 2.88Å; R107-H139 PolarHBondContact NH2-NE2 3.34Å; E131-H139 HydrophobicContact CB-CB 4.42Å; E131-H139 HydrophobicContact CG-CB 4.08Å; E131-H139 WeakPolarHBondContact OE2-CB 3.22Å; E131-H139 IonicContact OE2-CG 3.22Å; Q136-H139 HydrophobicContact CB-CB 4.18Å; Q136-H139 PolarHBondContact O-N 3.24Å; V137-H139 VanDerWaalsContact C-N 3.34Å; V137-H139 PolarHBondContact O-N 3.13Å; H139-N142 PolarHBondContact O-N 3.43Å; H139-L143 VanDerWaalsContact O-CB 3.31Å; H139-L143 WeakPolarHBondContact O-CB 3.44Å; H139-L143 PolarHBondContact O-N 2.98Å
140	A	96.5	Very high	95.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.7	-42.2	173.9	0	0	0	0	0	112.2	E131 M132 Q136 V137 L143 W144 M164	E131-A140 HydrophobicContact CB-CB 3.98Å; M132-A140 HydrophobicContact CG-CB 3.74Å; Q136-A140 PolarHBondContact O-N 3.44Å; V137-A140 PolarHBondContact O-N 3.02Å; A140-L143 PolarHBondContact O-N 2.89Å; A140-W144 WeakPolarHBondContact O-CB 3.4Å; A140-W144 PolarHBondContact O-N 3.43Å; A140-M164 HydrophobicContact CB-SD 4.02Å
141	R	97.1	Very high	95.8	Very high	69 Å²	69	61.1 Å²	61.1	26%	0.26	29%	0.291	S	S	.	.	H	α-helix	trans	-58.8	-51.3	174.3	-76.5	176.3	178.2	142.8	-3.7	112.2	V137 N138 L143 W144 D145 M164 E165	V137-R141 HydrophobicContact CG1-CG 4.45Å; V137-R141 WeakPolarHBondContact O-CG 3.4Å; V137-R141 PolarHBondContact O-N 3.48Å; N138-R141 PolarHBondContact O-N 3.32Å; N138-R141 PolarHBondContact OD1-NH1 3.34Å; R141-L143 PolarHBondContact O-N 2.77Å; R141-W144 PolarHBondContact O-N 3.11Å; R141-D145 VanDerWaalsContact O-CB 3.28Å; R141-D145 WeakPolarHBondContact O-CB 3.27Å; R141-D145 PolarHBondContact O-N 3.13Å; R141-M164 HydrophobicContact CG-CE 3.93Å; R141-E165 WeakPolarHBondContact CG-OE1 3.47Å; R141-E165 IonicContact CZ-OE1 3.88Å; R141-E165 IonicContact CZ-OE2 3.86Å; R141-E165 IonicContact NE-OE1 3.61Å; R141-E165 PolarHBondContact NE-OE1 3.03Å; R141-E165 IonicContact NE-OE2 3.71Å; R141-E165 IonicContact NH2-OE1 3.22Å; R141-E165 IonicContact NH2-OE2 3.71Å; R141-E165 PolarHBondContact NH2-OE2 2.9Å
142	N	96.7	Very high	95.8	Very high	110 Å²	110	61.9 Å²	61.9	59%	0.588	30%	0.297	S	S	*	.	H	α-helix	trans	-59.4	-37.9	177.8	-66.8	-12.8	0	0	0	111.3	N138 H139 R146	N138-N142 PolarHBondContact O-N 3.36Å; N138-N142 PolarHBondContact O-ND2 2.99Å; N138-N142 PolarHBondContact O-OD1 3.45Å; H139-N142 PolarHBondContact O-N 3.43Å; N142-R146 VanDerWaalsContact O-CB 3.25Å; N142-R146 WeakPolarHBondContact O-CB 3.21Å; N142-R146 PolarHBondContact O-N 3.34Å
143	L	96.8	Very high	95.8	Very high	5 Å²	5	66.9 Å²	66.9	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-71.6	-42.8	179.6	-173.6	65.9	0	0	0	112.5	W124 Y127 A128 H139 A140 R141 R146 A147	W124-L143 HydrophobicContact CE3-CD1 3.66Å; W124-L143 HydrophobicContact CE3-CG 4.15Å; W124-L143 HydrophobicContact CZ3-CD1 3.46Å; W124-L143 VanDerWaalsContact CZ3-CD1 3.46Å; W124-L143 HydrophobicContact CZ3-CG 4.28Å; Y127-L143 HydrophobicContact CD1-CD1 3.41Å; Y127-L143 VanDerWaalsContact CD1-CD1 3.41Å; Y127-L143 HydrophobicContact CD1-CD2 3.37Å; Y127-L143 HydrophobicContact CD1-CG 4.05Å; Y127-L143 HydrophobicContact CD2-CD2 3.8Å; Y127-L143 HydrophobicContact CE1-CD1 3.42Å; Y127-L143 VanDerWaalsContact CE1-CD1 3.42Å; Y127-L143 HydrophobicContact CE1-CD2 3.85Å; Y127-L143 HydrophobicContact CE1-CG 4.3Å; Y127-L143 HydrophobicContact CE2-CD2 4.22Å; Y127-L143 HydrophobicContact CG-CD1 4.27Å; Y127-L143 HydrophobicContact CG-CD2 3.35Å; Y127-L143 HydrophobicContact CG-CG 4.47Å; A128-L143 VanDerWaalsContact CA-CD2 3.44Å; A128-L143 HydrophobicContact CB-CD2 3.69Å; A128-L143 HydrophobicContact CB-CG 4.35Å; H139-L143 VanDerWaalsContact O-CB 3.31Å; H139-L143 WeakPolarHBondContact O-CB 3.44Å; H139-L143 PolarHBondContact O-N 2.98Å; A140-L143 PolarHBondContact O-N 2.89Å; R141-L143 PolarHBondContact O-N 2.77Å; L143-R146 PolarHBondContact O-N 2.9Å; L143-A147 WeakPolarHBondContact O-CB 3.36Å; L143-A147 PolarHBondContact O-N 2.76Å
144	W	97.3	Very high	95.8	Very high	1 Å²	1	61.2 Å²	61.2	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-63.9	-44.5	174.1	-75.9	127.2	0	0	0	111.6	L125 A128 M132 A140 R141 R146 A147 V148 F157 K160 Y161 M164	L125-W144 HydrophobicContact CD2-CH2 3.62Å; L125-W144 HydrophobicContact CD2-CZ3 3.97Å; A128-W144 HydrophobicContact CB-CD2 3.96Å; A128-W144 VanDerWaalsContact CB-CE2 3.46Å; A128-W144 HydrophobicContact CB-CE3 4.28Å; A128-W144 HydrophobicContact CB-CH2 3.69Å; A128-W144 HydrophobicContact CB-CZ2 3.35Å; A128-W144 HydrophobicContact CB-CZ3 4.13Å; M132-W144 HydrophobicContact CE-CZ2 3.88Å; A140-W144 WeakPolarHBondContact O-CB 3.4Å; A140-W144 PolarHBondContact O-N 3.43Å; R141-W144 PolarHBondContact O-N 3.11Å; W144-R146 VanDerWaalsContact C-N 3.31Å; W144-R146 PolarHBondContact O-N 3.02Å; W144-A147 HydrophobicContact CE3-CB 4.4Å; W144-A147 WeakPolarHBondContact O-CB 3.25Å; W144-A147 PolarHBondContact O-N 3.48Å; W144-A147 VanDerWaalsContact O-N 3.1Å; W144-V148 WeakPolarHBondContact O-CG2 3.37Å; W144-V148 PolarHBondContact O-N 3.49Å; W144-F157 HydrophobicContact CE3-CB 4.27Å; W144-F157 HydrophobicContact CE3-CD1 4.38Å; W144-F157 HydrophobicContact CZ3-CB 4.23Å; W144-F157 AromaticContact CZ3-CD1 3.66Å; W144-F157 HydrophobicContact CZ3-CD1 3.66Å; W144-F157 HydrophobicContact CZ3-CE1 4.43Å; W144-F157 HydrophobicContact CZ3-CG 4.28Å; W144-K160 HydrophobicContact CH2-CB 3.73Å; W144-K160 HydrophobicContact CH2-CD 3.69Å; W144-K160 HydrophobicContact CH2-CG 4.37Å; W144-K160 HydrophobicContact CZ2-CB 3.69Å; W144-K160 HydrophobicContact CZ2-CD 4.1Å; W144-K160 HydrophobicContact CZ3-CB 4.35Å; W144-Y161 HydrophobicContact CB-CD1 3.95Å; W144-Y161 HydrophobicContact CB-CD2 3.69Å; W144-Y161 HydrophobicContact CB-CE1 4.24Å; W144-Y161 HydrophobicContact CB-CE2 4Å; W144-Y161 HydrophobicContact CB-CG 3.66Å; W144-Y161 HydrophobicContact CG-CD2 4.04Å; W144-Y161 HydrophobicContact CG-CG 4.12Å; W144-M164 VanDerWaalsContact CD1-CE 3.44Å; W144-M164 HydrophobicContact CG-CE 4.48Å
145	D	97	Very high	95.9	Very high	56 Å²	56	59.7 Å²	59.7	30%	0.299	29%	0.289	S	S	.	.	H	α-helix	trans	-59.2	-43.8	176.4	-168.8	65.9	0	0	0	111.3	R141 V148 T149 R180	R141-D145 VanDerWaalsContact O-CB 3.28Å; R141-D145 WeakPolarHBondContact O-CB 3.27Å; R141-D145 PolarHBondContact O-N 3.13Å; D145-V148 VanDerWaalsContact O-CG2 3.27Å; D145-V148 WeakPolarHBondContact O-CG2 3.44Å; D145-T149 VanDerWaalsContact O-CB 3.28Å; D145-T149 WeakPolarHBondContact O-CB 3.43Å; D145-T149 PolarHBondContact O-N 3.04Å; D145-T149 PolarHBondContact O-OG1 3.39Å; D145-R180 IonicContact OD1-CZ 3.02Å; D145-R180 VanDerWaalsContact OD1-CZ 3.23Å; D145-R180 IonicContact OD1-NH1 3.58Å; D145-R180 PolarHBondContact OD1-NH1 2.93Å; D145-R180 IonicContact OD1-NH2 3.63Å; D145-R180 PolarHBondContact OD1-NH2 3.41Å
146	R	97	Very high	96.1	Very high	85 Å²	85	56.3 Å²	56.3	32%	0.321	28%	0.276	S	S	.	.	H	α-helix	trans	-64.8	-40.3	173.4	-167.6	173.4	62.8	173.4	-0.2	112.1	E111 W124 N142 L143 W144 T149 L150	E111-R146 VanDerWaalsContact CD-NH2 3.31Å; E111-R146 IonicContact OE1-CZ 2.67Å; E111-R146 IonicContact OE1-NH1 3.56Å; E111-R146 PolarHBondContact OE1-NH1 2.75Å; E111-R146 IonicContact OE1-NH2 3.77Å; E111-R146 PolarHBondContact OE1-NH2 2.74Å; E111-R146 IonicContact OE2-CZ 3.04Å; E111-R146 IonicContact OE2-NH1 2.77Å; E111-R146 PolarHBondContact OE2-NH1 3.16Å; E111-R146 IonicContact OE2-NH2 3.76Å; E111-R146 PolarHBondContact OE2-NH2 3.49Å; E111-R146 VanDerWaalsContact OE2-NH2 3.1Å; W124-R146 HydrophobicContact CH2-CB 4.42Å; W124-R146 HydrophobicContact CH2-CG 3.92Å; W124-R146 HydrophobicContact CZ3-CB 4.2Å; W124-R146 HydrophobicContact CZ3-CG 4.2Å; N142-R146 VanDerWaalsContact O-CB 3.25Å; N142-R146 WeakPolarHBondContact O-CB 3.21Å; N142-R146 PolarHBondContact O-N 3.34Å; L143-R146 PolarHBondContact O-N 2.9Å; W144-R146 VanDerWaalsContact C-N 3.31Å; W144-R146 PolarHBondContact O-N 3.02Å; R146-T149 PolarHBondContact O-N 3.06Å; R146-L150 HydrophobicContact CG-CD1 3.98Å; R146-L150 HydrophobicContact CG-CG 4.44Å; R146-L150 WeakPolarHBondContact O-CB 3.37Å; R146-L150 WeakPolarHBondContact O-CG 3.12Å; R146-L150 PolarHBondContact O-N 3.33Å
147	A	97.1	Very high	96.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-47.9	179.2	0	0	0	0	0	112	W124 L143 W144 T149 L150 M151 F157	W124-A147 HydrophobicContact CD2-CB 4.01Å; W124-A147 HydrophobicContact CE3-CB 3.51Å; W124-A147 HydrophobicContact CZ3-CB 3.95Å; L143-A147 WeakPolarHBondContact O-CB 3.36Å; L143-A147 PolarHBondContact O-N 2.76Å; W144-A147 HydrophobicContact CE3-CB 4.4Å; W144-A147 WeakPolarHBondContact O-CB 3.25Å; W144-A147 PolarHBondContact O-N 3.48Å; W144-A147 VanDerWaalsContact O-N 3.1Å; A147-T149 VanDerWaalsContact C-N 3.29Å; A147-T149 PolarHBondContact O-N 2.88Å; A147-L150 PolarHBondContact O-N 3.5Å; A147-M151 PolarHBondContact O-N 2.91Å; A147-F157 HydrophobicContact CB-CD2 3.99Å; A147-F157 HydrophobicContact CB-CE2 4.27Å; A147-F157 HydrophobicContact CB-CG 4.12Å
148	V	96.4	Very high	96.3	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-69	-29.6	178.4	-60.8	0	0	0	0	112	W144 D145 P152 F157 W158 Y161	W144-V148 WeakPolarHBondContact O-CG2 3.37Å; W144-V148 PolarHBondContact O-N 3.49Å; D145-V148 VanDerWaalsContact O-CG2 3.27Å; D145-V148 WeakPolarHBondContact O-CG2 3.44Å; V148-P152 WeakPolarHBondContact O-CA 3.19Å; V148-P152 WeakPolarHBondContact O-CB 3.41Å; V148-F157 HydrophobicContact CG1-CB 3.84Å; V148-W158 HydrophobicContact CB-CD2 4.14Å; V148-W158 HydrophobicContact CB-CE3 4.26Å; V148-W158 HydrophobicContact CB-CH2 3.89Å; V148-W158 HydrophobicContact CB-CZ2 3.72Å; V148-W158 HydrophobicContact CB-CZ3 4.15Å; V148-W158 HydrophobicContact CG1-CD2 3.73Å; V148-W158 HydrophobicContact CG1-CE3 3.92Å; V148-W158 HydrophobicContact CG1-CG 4.21Å; V148-W158 HydrophobicContact CG1-CH2 4.45Å; V148-W158 HydrophobicContact CG1-CZ2 4.27Å; V148-W158 HydrophobicContact CG1-CZ3 4.28Å; V148-W158 HydrophobicContact CG2-CH2 4.11Å; V148-W158 HydrophobicContact CG2-CZ2 4.43Å; V148-W158 HydrophobicContact CG2-CZ3 4.24Å; V148-Y161 HydrophobicContact CG1-CD1 4.3Å
149	T	96.1	Very high	96.3	Very high	88 Å²	88	49.4 Å²	49.4	54%	0.54	23%	0.234	S	C	.	.	H	α-helix	trans	-71.3	-42.7	176	-58.6	0	0	0	0	111.9	D145 R146 A147	D145-T149 VanDerWaalsContact O-CB 3.28Å; D145-T149 WeakPolarHBondContact O-CB 3.43Å; D145-T149 PolarHBondContact O-N 3.04Å; D145-T149 PolarHBondContact O-OG1 3.39Å; R146-T149 PolarHBondContact O-N 3.06Å; A147-T149 VanDerWaalsContact C-N 3.29Å; A147-T149 PolarHBondContact O-N 2.88Å
150	L	96.2	Very high	96.3	Very high	87 Å²	87	49 Å²	49	46%	0.455	23%	0.232	S	C	.	.	H	α-helix	trans	-78.8	-34.5	-179.9	-69.2	174.7	0	0	0	113	W124 R146 A147	W124-L150 HydrophobicContact CH2-CD1 3.62Å; W124-L150 HydrophobicContact CZ2-CD1 3.61Å; R146-L150 HydrophobicContact CG-CD1 3.98Å; R146-L150 HydrophobicContact CG-CG 4.44Å; R146-L150 WeakPolarHBondContact O-CB 3.37Å; R146-L150 WeakPolarHBondContact O-CG 3.12Å; R146-L150 PolarHBondContact O-N 3.33Å; A147-L150 PolarHBondContact O-N 3.5Å
151	M	94.7	Very high	96.4	Very high	27 Å²	27	50 Å²	50	13%	0.133	24%	0.236	C	C	.	.			trans	-133.9	69.7	-176	-75.3	-170.5	-76.7	0	0	111.3	Y118 R119 W124 A147 R153 A154 F157	Y118-M151 WeakPolarHBondContact O-CE 3.39Å; R119-M151 HydrophobicContact CB-SD 4.45Å; W124-M151 HydrophobicContact CD2-CE 4.46Å; W124-M151 HydrophobicContact CG-CE 4.1Å; A147-M151 PolarHBondContact O-N 2.91Å; M151-R153 PolarHBondContact O-N 2.98Å; M151-A154 HydrophobicContact CB-CB 4.37Å; M151-A154 PolarHBondContact O-N 3.28Å; M151-F157 HydrophobicContact CB-CD2 4.32Å; M151-F157 HydrophobicContact CB-CE2 3.79Å; M151-F157 HydrophobicContact CE-CE2 3.6Å; M151-F157 HydrophobicContact CE-CZ 3.74Å; M151-F157 HydrophobicContact SD-CE2 4.28Å
152	P	95.2	Very high	96.4	Very high	19 Å²	19	47 Å²	47	12%	0.123	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.2	-176.9	25.3	-34.9	0	0	0	113.4	V148 A154 W158 W184	V148-P152 WeakPolarHBondContact O-CA 3.19Å; V148-P152 WeakPolarHBondContact O-CB 3.41Å; P152-A154 VanDerWaalsContact C-N 3.33Å; P152-W158 HydrophobicContact CB-CZ2 4.38Å; P152-W158 PolarHBondContact O-NE1 2.97Å; P152-W184 HydrophobicContact CB-CD2 3.55Å; P152-W184 HydrophobicContact CB-CE3 4.03Å; P152-W184 HydrophobicContact CB-CG 4.03Å; P152-W184 HydrophobicContact CB-CH2 4.06Å; P152-W184 HydrophobicContact CB-CZ2 3.58Å; P152-W184 HydrophobicContact CB-CZ3 4.26Å; P152-W184 HydrophobicContact CG-CD2 4.08Å; P152-W184 HydrophobicContact CG-CE3 4.08Å; P152-W184 HydrophobicContact CG-CH2 3.57Å; P152-W184 HydrophobicContact CG-CZ2 3.55Å; P152-W184 HydrophobicContact CG-CZ3 3.84Å
153	R	94.4	Very high	96.3	Very high	168 Å²	168	48.9 Å²	48.9	63%	0.634	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-9.6	179.2	-62.9	-61.7	-175.9	-169.5	-2.7	114	M151 N155 W184	M151-R153 PolarHBondContact O-N 2.98Å; R153-N155 PolarHBondContact O-N 2.97Å; R153-W184 PolarHBondContact NH1-O 3.36Å
154	A	95.2	Very high	96.3	Very high	19 Å²	19	49.2 Å²	49.2	16%	0.157	23%	0.226	C	C	.	.			trans	-84.6	89.8	177.9	0	0	0	0	0	110.7	V121 M151 P152 Q156 F157	V121-A154 HydrophobicContact CG2-CB 4.27Å; M151-A154 HydrophobicContact CB-CB 4.37Å; M151-A154 PolarHBondContact O-N 3.28Å; P152-A154 VanDerWaalsContact C-N 3.33Å; A154-Q156 PolarHBondContact O-N 3.25Å; A154-F157 HydrophobicContact CB-CD2 3.51Å; A154-F157 HydrophobicContact CB-CE2 3.46Å; A154-F157 VanDerWaalsContact CB-CE2 3.46Å; A154-F157 HydrophobicContact CB-CG 4.25Å; A154-F157 HydrophobicContact CB-CZ 4.25Å; A154-F157 PolarHBondContact O-N 2.9Å
155	N	95.9	Very high	96.2	Very high	35 Å²	35	49.4 Å²	49.4	19%	0.187	23%	0.227	C	C	.	.	H	α-helix	trans	-53.3	-30.2	-177.4	-65	-19	0	0	0	113.7	R153 F157 W158 Y159 W181 E187	R153-N155 PolarHBondContact O-N 2.97Å; N155-F157 PolarHBondContact O-N 3.1Å; N155-W158 PolarHBondContact O-N 3.41Å; N155-W158 VanDerWaalsContact O-N 3.16Å; N155-Y159 HydrophobicContact CB-CD2 4.15Å; N155-Y159 HydrophobicContact CB-CE2 3.86Å; N155-Y159 WeakPolarHBondContact O-CD2 3.26Å; N155-Y159 PolarHBondContact O-N 3.25Å; N155-W181 HydrophobicContact CB-CZ2 4.05Å; N155-E187 PolarHBondContact ND2-OE1 3.28Å
156	Q	96.1	Very high	96.1	Very high	109 Å²	109	48.4 Å²	48.4	51%	0.509	22%	0.221	S	C	.	.	H	α-helix	trans	-56	-34.7	178.1	-62.6	176.8	13.5	0	0	113.1	V121 A154 K160	V121-Q156 VanDerWaalsContact CG1-OE1 3.22Å; A154-Q156 PolarHBondContact O-N 3.25Å; Q156-K160 WeakPolarHBondContact O-CB 3.35Å; Q156-K160 PolarHBondContact O-N 3.1Å; Q156-K160 VanDerWaalsContact O-N 3.16Å
157	F	97	Very high	96	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-70.4	-46	178.1	-58.4	-29.2	0	0	0	111.3	V121 W124 L125 W144 A147 V148 M151 A154 N155 K160 Y161	V121-F157 HydrophobicContact CB-CE1 4.42Å; V121-F157 HydrophobicContact CB-CZ 4.12Å; V121-F157 HydrophobicContact CG1-CD1 4.47Å; V121-F157 HydrophobicContact CG1-CE1 3.63Å; V121-F157 HydrophobicContact CG1-CZ 3.76Å; V121-F157 HydrophobicContact CG2-CZ 4.15Å; W124-F157 HydrophobicContact CB-CE1 3.61Å; W124-F157 HydrophobicContact CB-CZ 3.68Å; W124-F157 HydrophobicContact CG-CE1 4.35Å; W124-F157 AromaticContact CG-CZ 3.94Å; W124-F157 HydrophobicContact CG-CZ 3.94Å; L125-F157 HydrophobicContact CD2-CD1 3.9Å; L125-F157 HydrophobicContact CD2-CE1 3.97Å; L125-F157 HydrophobicContact CG-CE1 4.22Å; W144-F157 HydrophobicContact CE3-CB 4.27Å; W144-F157 HydrophobicContact CE3-CD1 4.38Å; W144-F157 HydrophobicContact CZ3-CB 4.23Å; W144-F157 AromaticContact CZ3-CD1 3.66Å; W144-F157 HydrophobicContact CZ3-CD1 3.66Å; W144-F157 HydrophobicContact CZ3-CE1 4.43Å; W144-F157 HydrophobicContact CZ3-CG 4.28Å; A147-F157 HydrophobicContact CB-CD2 3.99Å; A147-F157 HydrophobicContact CB-CE2 4.27Å; A147-F157 HydrophobicContact CB-CG 4.12Å; V148-F157 HydrophobicContact CG1-CB 3.84Å; M151-F157 HydrophobicContact CB-CD2 4.32Å; M151-F157 HydrophobicContact CB-CE2 3.79Å; M151-F157 HydrophobicContact CE-CE2 3.6Å; M151-F157 HydrophobicContact CE-CZ 3.74Å; M151-F157 HydrophobicContact SD-CE2 4.28Å; A154-F157 HydrophobicContact CB-CD2 3.51Å; A154-F157 HydrophobicContact CB-CE2 3.46Å; A154-F157 VanDerWaalsContact CB-CE2 3.46Å; A154-F157 HydrophobicContact CB-CG 4.25Å; A154-F157 HydrophobicContact CB-CZ 4.25Å; A154-F157 PolarHBondContact O-N 2.9Å; N155-F157 PolarHBondContact O-N 3.1Å; F157-K160 PolarHBondContact O-N 3.14Å; F157-Y161 WeakPolarHBondContact O-CB 3.23Å; F157-Y161 PolarHBondContact O-N 3.4Å
158	W	97.4	Very high	95.8	Very high	3 Å²	3	52.1 Å²	52.1	1%	0.011	25%	0.25	C	C	.	.	H	α-helix	trans	-61.9	-45.5	178.4	-62.7	103.3	0	0	0	112.4	V148 P152 N155 K160 Y161 T162 I177 R180 W181 W184	V148-W158 HydrophobicContact CB-CD2 4.14Å; V148-W158 HydrophobicContact CB-CE3 4.26Å; V148-W158 HydrophobicContact CB-CH2 3.89Å; V148-W158 HydrophobicContact CB-CZ2 3.72Å; V148-W158 HydrophobicContact CB-CZ3 4.15Å; V148-W158 HydrophobicContact CG1-CD2 3.73Å; V148-W158 HydrophobicContact CG1-CE3 3.92Å; V148-W158 HydrophobicContact CG1-CG 4.21Å; V148-W158 HydrophobicContact CG1-CH2 4.45Å; V148-W158 HydrophobicContact CG1-CZ2 4.27Å; V148-W158 HydrophobicContact CG1-CZ3 4.28Å; V148-W158 HydrophobicContact CG2-CH2 4.11Å; V148-W158 HydrophobicContact CG2-CZ2 4.43Å; V148-W158 HydrophobicContact CG2-CZ3 4.24Å; P152-W158 HydrophobicContact CB-CZ2 4.38Å; P152-W158 PolarHBondContact O-NE1 2.97Å; N155-W158 PolarHBondContact O-N 3.41Å; N155-W158 VanDerWaalsContact O-N 3.16Å; W158-K160 PolarHBondContact O-N 3.05Å; W158-Y161 PolarHBondContact O-N 3.09Å; W158-T162 WeakPolarHBondContact O-CB 3.44Å; W158-T162 WeakPolarHBondContact O-CG2 3.2Å; W158-T162 PolarHBondContact O-N 3.42Å; W158-T162 PolarHBondContact O-OG1 2.69Å; W158-I177 HydrophobicContact CE3-CG2 3.83Å; W158-I177 HydrophobicContact CZ3-CG2 4.09Å; W158-R180 HydrophobicContact CH2-CB 4.17Å; W158-R180 HydrophobicContact CZ3-CB 4.03Å; W158-W181 HydrophobicContact CB-CD2 3.43Å; W158-W181 VanDerWaalsContact CB-CD2 3.43Å; W158-W181 VanDerWaalsContact CB-CE2 3.42Å; W158-W181 HydrophobicContact CB-CE3 3.74Å; W158-W181 HydrophobicContact CB-CG 3.89Å; W158-W181 HydrophobicContact CB-CH2 4.01Å; W158-W181 HydrophobicContact CB-CZ2 3.73Å; W158-W181 HydrophobicContact CB-CZ3 4.02Å; W158-W181 AromaticContact CD1-CD1 3.57Å; W158-W181 AromaticContact CD1-CE2 3.82Å; W158-W181 AromaticContact CD1-NE1 3.33Å; W158-W181 VanDerWaalsContact CD1-NE1 3.33Å; W158-W181 HydrophobicContact CD2-CB 3.8Å; W158-W181 AromaticContact CD2-CD1 3.46Å; W158-W181 VanDerWaalsContact CD2-CD1 3.46Å; W158-W181 HydrophobicContact CD2-CD2 4.08Å; W158-W181 AromaticContact CD2-CG 3.5Å; W158-W181 HydrophobicContact CD2-CG 3.5Å; W158-W181 AromaticContact CD2-NE1 3.98Å; W158-W181 AromaticContact CE2-CD1 3.52Å; W158-W181 HydrophobicContact CE3-CB 3.47Å; W158-W181 VanDerWaalsContact CE3-CB 3.47Å; W158-W181 HydrophobicContact CE3-CD2 4.42Å; W158-W181 AromaticContact CE3-CG 3.72Å; W158-W181 HydrophobicContact CE3-CG 3.72Å; W158-W181 HydrophobicContact CG-CB 4.37Å; W158-W181 AromaticContact CG-CD1 3.47Å; W158-W181 VanDerWaalsContact CG-CD1 3.47Å; W158-W181 AromaticContact CG-CD2 3.68Å; W158-W181 HydrophobicContact CG-CD2 3.68Å; W158-W181 AromaticContact CG-CE2 3.59Å; W158-W181 HydrophobicContact CG-CE3 4.44Å; W158-W181 AromaticContact CG-CG 3.61Å; W158-W181 HydrophobicContact CG-CG 3.61Å; W158-W181 HydrophobicContact CG-CZ2 4.28Å; W158-W181 AromaticContact CG-NE1 3.46Å; W158-W181 HydrophobicContact CH2-CB 4.28Å; W158-W181 HydrophobicContact CZ3-CB 3.73Å; W158-W181 HydrophobicContact CZ3-CG 4.36Å; W158-W181 AromaticContact NE1-CD1 3.58Å; W158-W181 AromaticContact NE1-NE1 3.72Å; W158-W184 AromaticContact CZ2-CD1 3.76Å
159	Y	97.1	Very high	95.7	Very high	73 Å²	73	54.6 Å²	54.6	29%	0.286	28%	0.276	S	S	.	.	H	α-helix	trans	-59.6	-47.4	175.5	-74.3	-63.3	0	0	0	112	N155 Y161 T162 Y163 W181 Q189 A193	N155-Y159 HydrophobicContact CB-CD2 4.15Å; N155-Y159 HydrophobicContact CB-CE2 3.86Å; N155-Y159 WeakPolarHBondContact O-CD2 3.26Å; N155-Y159 PolarHBondContact O-N 3.25Å; Y159-Y161 VanDerWaalsContact C-N 3.35Å; Y159-T162 PolarHBondContact O-OG1 3.14Å; Y159-T162 VanDerWaalsContact O-OG1 3.06Å; Y159-Y163 WeakPolarHBondContact O-CB 3.43Å; Y159-Y163 PolarHBondContact O-N 2.8Å; Y159-W181 AromaticContact CD1-CH2 3.82Å; Y159-W181 HydrophobicContact CD1-CH2 3.82Å; Y159-W181 HydrophobicContact CD1-CZ3 4.16Å; Y159-W181 HydrophobicContact CD2-CH2 4.05Å; Y159-W181 AromaticContact CE1-CH2 3.55Å; Y159-W181 HydrophobicContact CE1-CH2 3.55Å; Y159-W181 HydrophobicContact CE1-CZ3 4.08Å; Y159-W181 AromaticContact CE2-CH2 3.79Å; Y159-W181 HydrophobicContact CE2-CH2 3.79Å; Y159-W181 HydrophobicContact CE2-CZ2 4.25Å; Y159-W181 HydrophobicContact CG-CH2 4.06Å; Y159-W181 AromaticContact CZ-CH2 3.52Å; Y159-Q189 WeakPolarHBondContact OH-CG 3.48Å; Y159-A193 HydrophobicContact CE1-CB 3.74Å
160	K	96.3	Very high	95.7	Very high	74 Å²	74	53.3 Å²	53.3	32%	0.322	27%	0.265	S	S	.	.	H	α-helix	trans	-69.1	-34.1	179.4	-77.9	177.3	-180	-89.9	0	112.5	L125 E129 W144 Q156 F157 W158 M164	L125-K160 HydrophobicContact CD2-CD 3.45Å; L125-K160 VanDerWaalsContact CD2-CD 3.45Å; E129-K160 IonicContact OE1-NZ 3.38Å; E129-K160 PolarHBondContact OE1-NZ 3.49Å; W144-K160 HydrophobicContact CH2-CB 3.73Å; W144-K160 HydrophobicContact CH2-CD 3.69Å; W144-K160 HydrophobicContact CH2-CG 4.37Å; W144-K160 HydrophobicContact CZ2-CB 3.69Å; W144-K160 HydrophobicContact CZ2-CD 4.1Å; W144-K160 HydrophobicContact CZ3-CB 4.35Å; Q156-K160 WeakPolarHBondContact O-CB 3.35Å; Q156-K160 PolarHBondContact O-N 3.1Å; Q156-K160 VanDerWaalsContact O-N 3.16Å; F157-K160 PolarHBondContact O-N 3.14Å; W158-K160 PolarHBondContact O-N 3.05Å; K160-M164 VanDerWaalsContact O-CB 3.29Å; K160-M164 WeakPolarHBondContact O-CB 3.23Å; K160-M164 PolarHBondContact O-N 3.37Å
161	Y	97.1	Very high	95.7	Very high	20 Å²	20	50.7 Å²	50.7	8%	0.078	25%	0.253	C	S	.	.	H	α-helix	trans	-70.4	-49.5	179.6	-170.2	-166.4	0	0	0	111.4	W144 V148 F157 W158 Y159 Y163 M164 E165 I177	W144-Y161 HydrophobicContact CB-CD1 3.95Å; W144-Y161 HydrophobicContact CB-CD2 3.69Å; W144-Y161 HydrophobicContact CB-CE1 4.24Å; W144-Y161 HydrophobicContact CB-CE2 4Å; W144-Y161 HydrophobicContact CB-CG 3.66Å; W144-Y161 HydrophobicContact CG-CD2 4.04Å; W144-Y161 HydrophobicContact CG-CG 4.12Å; V148-Y161 HydrophobicContact CG1-CD1 4.3Å; F157-Y161 WeakPolarHBondContact O-CB 3.23Å; F157-Y161 PolarHBondContact O-N 3.4Å; W158-Y161 PolarHBondContact O-N 3.09Å; Y159-Y161 VanDerWaalsContact C-N 3.35Å; Y161-Y163 VanDerWaalsContact C-N 3.34Å; Y161-Y163 PolarHBondContact O-N 3.02Å; Y161-M164 HydrophobicContact CD2-CE 3.63Å; Y161-M164 HydrophobicContact CE2-CE 3.77Å; Y161-M164 PolarHBondContact O-N 3.09Å; Y161-E165 HydrophobicContact CD2-CG 4.33Å; Y161-E165 HydrophobicContact CE2-CG 4.12Å; Y161-E165 PolarHBondContact O-N 3.27Å; Y161-I177 HydrophobicContact CD1-CB 4.47Å; Y161-I177 HydrophobicContact CD1-CD1 3.78Å; Y161-I177 HydrophobicContact CD1-CG1 3.95Å; Y161-I177 HydrophobicContact CD1-CG2 3.62Å; Y161-I177 HydrophobicContact CD2-CD1 3.57Å; Y161-I177 HydrophobicContact CE1-CD1 3.66Å; Y161-I177 HydrophobicContact CE1-CG1 3.68Å; Y161-I177 HydrophobicContact CE1-CG2 4.15Å; Y161-I177 HydrophobicContact CE2-CD1 3.45Å; Y161-I177 VanDerWaalsContact CE2-CD1 3.45Å; Y161-I177 HydrophobicContact CE2-CG1 4.36Å; Y161-I177 HydrophobicContact CG-CD1 3.75Å; Y161-I177 HydrophobicContact CG-CG1 4.41Å; Y161-I177 HydrophobicContact CG-CG2 4.1Å; Y161-I177 VanDerWaalsContact CZ-CD1 3.5Å
162	T	96.7	Very high	95.7	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-43.5	174.7	50.9	0	0	0	0	111.5	W158 Y159 M164 E165 E166 I177 F178	W158-T162 WeakPolarHBondContact O-CB 3.44Å; W158-T162 WeakPolarHBondContact O-CG2 3.2Å; W158-T162 PolarHBondContact O-N 3.42Å; W158-T162 PolarHBondContact O-OG1 2.69Å; Y159-T162 PolarHBondContact O-OG1 3.14Å; Y159-T162 VanDerWaalsContact O-OG1 3.06Å; T162-M164 PolarHBondContact O-N 3.23Å; T162-E165 PolarHBondContact O-N 2.88Å; T162-E166 WeakPolarHBondContact O-CB 3.47Å; T162-E166 PolarHBondContact O-N 3.08Å; T162-I177 HydrophobicContact CG2-CB 3.98Å; T162-I177 HydrophobicContact CG2-CG2 3.53Å; T162-F178 HydrophobicContact CG2-CD1 3.95Å; T162-F178 HydrophobicContact CG2-CD2 3.84Å; T162-F178 HydrophobicContact CG2-CE1 3.85Å; T162-F178 HydrophobicContact CG2-CE2 3.72Å; T162-F178 HydrophobicContact CG2-CG 3.93Å; T162-F178 HydrophobicContact CG2-CZ 3.72Å
163	Y	96.3	Very high	95.7	Very high	151 Å²	151	52.2 Å²	52.2	59%	0.592	27%	0.272	S	S	*	.	H	α-helix	trans	-62.9	-41	175.4	-177.6	-102.2	0	0	0	112.7	Y159 Y161 E166 T167	Y159-Y163 WeakPolarHBondContact O-CB 3.43Å; Y159-Y163 PolarHBondContact O-N 2.8Å; Y161-Y163 VanDerWaalsContact C-N 3.34Å; Y161-Y163 PolarHBondContact O-N 3.02Å; Y163-E166 PolarHBondContact O-N 3.45Å; Y163-T167 HydrophobicContact CD1-CG2 4.11Å; Y163-T167 HydrophobicContact CD2-CG2 4.36Å; Y163-T167 HydrophobicContact CE1-CG2 3.7Å; Y163-T167 HydrophobicContact CE2-CG2 3.97Å; Y163-T167 HydrophobicContact CG-CG2 4.43Å; Y163-T167 WeakPolarHBondContact O-CB 3.45Å; Y163-T167 VanDerWaalsContact O-CG2 3.29Å; Y163-T167 WeakPolarHBondContact O-CG2 3.23Å; Y163-T167 PolarHBondContact O-N 3.16Å; Y163-T167 PolarHBondContact O-OG1 3.03Å
164	M	95.2	Very high	95.8	Very high	11 Å²	11	44.2 Å²	44.2	5%	0.054	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-48.4	175.7	-178	-168.5	60.2	0	0	111	M132 A140 R141 W144 K160 Y161 T162 E166 T167 L168	M132-M164 HydrophobicContact CG-SD 3.94Å; M132-M164 HydrophobicContact SD-CB 4.28Å; M132-M164 HydrophobicContact SD-CG 3.93Å; M132-M164 HydrophobicContact SD-SD 3.69Å; M132-M164 VanDerWaalsContact SD-SD 3.69Å; A140-M164 HydrophobicContact CB-SD 4.02Å; R141-M164 HydrophobicContact CG-CE 3.93Å; W144-M164 VanDerWaalsContact CD1-CE 3.44Å; W144-M164 HydrophobicContact CG-CE 4.48Å; K160-M164 VanDerWaalsContact O-CB 3.29Å; K160-M164 WeakPolarHBondContact O-CB 3.23Å; K160-M164 PolarHBondContact O-N 3.37Å; Y161-M164 HydrophobicContact CD2-CE 3.63Å; Y161-M164 HydrophobicContact CE2-CE 3.77Å; Y161-M164 PolarHBondContact O-N 3.09Å; T162-M164 PolarHBondContact O-N 3.23Å; M164-E166 VanDerWaalsContact C-N 3.34Å; M164-E166 PolarHBondContact O-N 2.95Å; M164-T167 WeakPolarHBondContact CA-OG1 3.37Å; M164-T167 PolarHBondContact O-N 3.21Å; M164-T167 PolarHBondContact O-OG1 3.34Å; M164-L168 HydrophobicContact CG-CD1 4.06Å; M164-L168 VanDerWaalsContact O-CG 3.26Å; M164-L168 WeakPolarHBondContact O-CG 3.45Å; M164-L168 PolarHBondContact O-N 2.87Å
165	E	96	Very high	95.9	Very high	5 Å²	5	45.4 Å²	45.4	2%	0.023	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-35.9	178.1	-69.3	-56.7	144.8	0	0	112.4	R141 Y161 T162 L168 G169 N170 A174 I177	R141-E165 WeakPolarHBondContact CG-OE1 3.47Å; R141-E165 IonicContact CZ-OE1 3.88Å; R141-E165 IonicContact CZ-OE2 3.86Å; R141-E165 IonicContact NE-OE1 3.61Å; R141-E165 PolarHBondContact NE-OE1 3.03Å; R141-E165 IonicContact NE-OE2 3.71Å; R141-E165 IonicContact NH2-OE1 3.22Å; R141-E165 IonicContact NH2-OE2 3.71Å; R141-E165 PolarHBondContact NH2-OE2 2.9Å; Y161-E165 HydrophobicContact CD2-CG 4.33Å; Y161-E165 HydrophobicContact CE2-CG 4.12Å; Y161-E165 PolarHBondContact O-N 3.27Å; T162-E165 PolarHBondContact O-N 2.88Å; E165-L168 PolarHBondContact O-N 3.12Å; E165-G169 PolarHBondContact O-N 3.48Å; E165-N170 HydrophobicContact CB-CB 4.42Å; E165-N170 PolarHBondContact O-N 3.31Å; E165-N170 VanDerWaalsContact OE2-CB 3.32Å; E165-N170 WeakPolarHBondContact OE2-CB 3.45Å; E165-N170 PolarHBondContact OE2-ND2 3.35Å; E165-A174 HydrophobicContact CB-CB 4.06Å; E165-I177 HydrophobicContact CB-CD1 4.21Å; E165-I177 HydrophobicContact CG-CD1 3.47Å; E165-I177 VanDerWaalsContact CG-CD1 3.47Å
166	E	95.2	Very high	95.9	Very high	35 Å²	35	50 Å²	50	16%	0.164	26%	0.263	C	S	.	.	H	α-helix	trans	-63.3	-45.3	174.1	-173.4	174.3	-169.1	0	0	111.7	T162 Y163 M164 L168 G169 F197 R200	T162-E166 WeakPolarHBondContact O-CB 3.47Å; T162-E166 PolarHBondContact O-N 3.08Å; Y163-E166 PolarHBondContact O-N 3.45Å; M164-E166 VanDerWaalsContact C-N 3.34Å; M164-E166 PolarHBondContact O-N 2.95Å; E166-L168 VanDerWaalsContact C-N 3.27Å; E166-L168 PolarHBondContact O-N 3.45Å; E166-G169 PolarHBondContact O-N 2.83Å; E166-F197 HydrophobicContact CG-CE2 4.27Å; E166-R200 VanDerWaalsContact CD-NH2 3.31Å; E166-R200 IonicContact OE1-CZ 3.23Å; E166-R200 IonicContact OE1-NE 2.97Å; E166-R200 PolarHBondContact OE1-NE 3.18Å; E166-R200 IonicContact OE1-NH2 3.09Å; E166-R200 PolarHBondContact OE1-NH2 3.01Å; E166-R200 IonicContact OE2-CZ 3.19Å; E166-R200 IonicContact OE2-NE 2.78Å; E166-R200 IonicContact OE2-NH2 3.23Å; E166-R200 PolarHBondContact OE2-NH2 2.86Å
167	T	94.2	Very high	96	Very high	83 Å²	83	45.1 Å²	45.1	51%	0.509	24%	0.24	S	C	.	.	H	α-helix	trans	-66.7	-26.6	177.1	54.9	0	0	0	0	113.6	Y163 M164 G169	Y163-T167 HydrophobicContact CD1-CG2 4.11Å; Y163-T167 HydrophobicContact CD2-CG2 4.36Å; Y163-T167 HydrophobicContact CE1-CG2 3.7Å; Y163-T167 HydrophobicContact CE2-CG2 3.97Å; Y163-T167 HydrophobicContact CG-CG2 4.43Å; Y163-T167 WeakPolarHBondContact O-CB 3.45Å; Y163-T167 VanDerWaalsContact O-CG2 3.29Å; Y163-T167 WeakPolarHBondContact O-CG2 3.23Å; Y163-T167 PolarHBondContact O-N 3.16Å; Y163-T167 PolarHBondContact O-OG1 3.03Å; M164-T167 WeakPolarHBondContact CA-OG1 3.37Å; M164-T167 PolarHBondContact O-N 3.21Å; M164-T167 PolarHBondContact O-OG1 3.34Å; T167-G169 PolarHBondContact O-N 3.12Å
168	L	94.1	Very high	96	Very high	80 Å²	80	45.3 Å²	45.3	42%	0.419	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-2.8	171.8	-67	170.6	0	0	0	113	V137 M164 E165 E166 N170	V137-L168 HydrophobicContact CG1-CD1 3.52Å; V137-L168 HydrophobicContact CG2-CD2 4.38Å; M164-L168 HydrophobicContact CG-CD1 4.06Å; M164-L168 VanDerWaalsContact O-CG 3.26Å; M164-L168 WeakPolarHBondContact O-CG 3.45Å; M164-L168 PolarHBondContact O-N 2.87Å; E165-L168 PolarHBondContact O-N 3.12Å; E166-L168 VanDerWaalsContact C-N 3.27Å; E166-L168 PolarHBondContact O-N 3.45Å; L168-N170 PolarHBondContact O-N 2.97Å
169	G	94	Very high	95.9	Very high	54 Å²	54	48.2 Å²	48.2	56%	0.557	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	8.1	-176.8	0	0	0	0	0	114.1	E165 E166 T167 V171	E165-G169 PolarHBondContact O-N 3.48Å; E166-G169 PolarHBondContact O-N 2.83Å; T167-G169 PolarHBondContact O-N 3.12Å; G169-V171 VanDerWaalsContact C-N 3.28Å; G169-V171 PolarHBondContact O-N 2.95Å
170	N	95.3	Very high	95.9	Very high	61 Å²	61	48 Å²	48	33%	0.326	25%	0.253	S	S	.	.			trans	-84.9	69.3	179.1	-173.8	12.8	0	0	0	111	E165 L168 A172 G173 A174	E165-N170 HydrophobicContact CB-CB 4.42Å; E165-N170 PolarHBondContact O-N 3.31Å; E165-N170 VanDerWaalsContact OE2-CB 3.32Å; E165-N170 WeakPolarHBondContact OE2-CB 3.45Å; E165-N170 PolarHBondContact OE2-ND2 3.35Å; L168-N170 PolarHBondContact O-N 2.97Å; N170-A172 VanDerWaalsContact C-N 3.27Å; N170-A172 PolarHBondContact O-N 3.16Å; N170-G173 PolarHBondContact O-N 2.73Å; N170-G173 VanDerWaalsContact O-N 3.15Å; N170-G173 PolarHBondContact OD1-N 3.08Å; N170-A174 PolarHBondContact O-N 3.09Å
171	V	95.4	Very high	96	Very high	32 Å²	32	44.5 Å²	44.5	19%	0.194	24%	0.238	C	C	.	.	H	α-helix	trans	-59.1	-38.8	-177.5	-171.3	0	0	0	0	111.6	G169 A174 R175 F197 Y201	G169-V171 VanDerWaalsContact C-N 3.28Å; G169-V171 PolarHBondContact O-N 2.95Å; V171-A174 PolarHBondContact O-N 3.35Å; V171-R175 WeakPolarHBondContact O-CG 3.47Å; V171-R175 PolarHBondContact O-N 2.88Å; V171-F197 HydrophobicContact CG1-CE1 4.4Å; V171-F197 HydrophobicContact CG1-CE2 4.46Å; V171-F197 HydrophobicContact CG1-CZ 3.67Å; V171-Y201 HydrophobicContact CG1-CD1 4.49Å; V171-Y201 HydrophobicContact CG1-CD2 4.14Å; V171-Y201 HydrophobicContact CG1-CE1 4.34Å; V171-Y201 HydrophobicContact CG1-CE2 4.02Å; V171-Y201 HydrophobicContact CG1-CG 4.4Å; V171-Y201 HydrophobicContact CG2-CE1 3.79Å; V171-Y201 HydrophobicContact CG2-CE2 4.45Å
172	A	95.9	Very high	95.9	Very high	69 Å²	69	43.8 Å²	43.8	57%	0.57	24%	0.235	S	C	*	.	H	α-helix	trans	-65.6	-41.6	177.3	0	0	0	0	0	112.2	N170 R175 Q176	N170-A172 VanDerWaalsContact C-N 3.27Å; N170-A172 PolarHBondContact O-N 3.16Å; A172-R175 PolarHBondContact O-N 2.92Å; A172-Q176 PolarHBondContact O-N 3.39Å
173	G	95.2	Very high	95.9	Very high	9 Å²	9	50.4 Å²	50.4	9%	0.093	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-43.1	174.3	0	0	0	0	0	112.6	N170 R175 Q176 I177	N170-G173 PolarHBondContact O-N 2.73Å; N170-G173 VanDerWaalsContact O-N 3.15Å; N170-G173 PolarHBondContact OD1-N 3.08Å; G173-R175 VanDerWaalsContact C-N 3.31Å; G173-R175 PolarHBondContact O-N 3.18Å; G173-Q176 WeakPolarHBondContact O-CB 3.35Å; G173-Q176 PolarHBondContact O-N 3.36Å; G173-I177 WeakPolarHBondContact O-CD1 3.31Å; G173-I177 VanDerWaalsContact O-CG1 3.31Å; G173-I177 WeakPolarHBondContact O-CG1 3.28Å; G173-I177 PolarHBondContact O-N 2.79Å
174	A	96.6	Very high	95.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.3	-43.4	175.1	0	0	0	0	0	111.6	E165 N170 V171 I177 F178 F197	E165-A174 HydrophobicContact CB-CB 4.06Å; N170-A174 PolarHBondContact O-N 3.09Å; V171-A174 PolarHBondContact O-N 3.35Å; A174-I177 PolarHBondContact O-N 3.19Å; A174-F178 WeakPolarHBondContact O-CD2 3.42Å; A174-F178 PolarHBondContact O-N 2.88Å; A174-F197 HydrophobicContact CB-CE2 3.86Å; A174-F197 HydrophobicContact CB-CZ 3.88Å
175	R	96.6	Very high	95.9	Very high	44 Å²	44	53.5 Å²	53.5	17%	0.166	28%	0.282	C	S	.	.	H	α-helix	trans	-60.5	-45.7	173.6	-74.2	-179.7	-178.2	125.5	-2.7	112.7	V171 A172 G173 I177 F178 E179 F197 E198	V171-R175 WeakPolarHBondContact O-CG 3.47Å; V171-R175 PolarHBondContact O-N 2.88Å; A172-R175 PolarHBondContact O-N 2.92Å; G173-R175 VanDerWaalsContact C-N 3.31Å; G173-R175 PolarHBondContact O-N 3.18Å; R175-I177 PolarHBondContact O-N 3.19Å; R175-F178 PolarHBondContact O-N 3.45Å; R175-F178 VanDerWaalsContact O-N 3.15Å; R175-E179 WeakPolarHBondContact O-CG 3.09Å; R175-E179 PolarHBondContact O-N 2.9Å; R175-F197 HydrophobicContact CG-CE1 3.48Å; R175-F197 VanDerWaalsContact CG-CE1 3.48Å; R175-F197 HydrophobicContact CG-CZ 3.99Å; R175-E198 WeakPolarHBondContact CD-OE1 3.5Å; R175-E198 WeakPolarHBondContact CG-OE1 3.34Å; R175-E198 IonicContact CZ-OE1 3.53Å; R175-E198 IonicContact CZ-OE2 3.98Å; R175-E198 IonicContact NE-OE1 2.94Å; R175-E198 PolarHBondContact NE-OE1 3.49Å; R175-E198 IonicContact NE-OE2 2.79Å; R175-E198 PolarHBondContact NE-OE2 3.29Å; R175-E198 IonicContact NH2-OE1 2.93Å; R175-E198 IonicContact NH2-OE2 3.87Å; R175-E198 PolarHBondContact NH2-OE2 2.98Å
176	Q	96.5	Very high	95.8	Very high	133 Å²	133	53.6 Å²	53.6	62%	0.621	28%	0.283	S	S	*	.	H	α-helix	trans	-59	-37.9	177.3	-171.7	180	18.7	0	0	111.7	A172 G173 R180	A172-Q176 PolarHBondContact O-N 3.39Å; G173-Q176 WeakPolarHBondContact O-CB 3.35Å; G173-Q176 PolarHBondContact O-N 3.36Å; Q176-R180 WeakPolarHBondContact O-CG 3.36Å; Q176-R180 PolarHBondContact O-N 3.12Å
177	I	97	Very high	95.8	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-70.1	-42.9	176.2	-62.2	159.1	0	0	0	110.9	W158 Y161 T162 E165 G173 A174 R175 E179 R180 W181	W158-I177 HydrophobicContact CE3-CG2 3.83Å; W158-I177 HydrophobicContact CZ3-CG2 4.09Å; Y161-I177 HydrophobicContact CD1-CB 4.47Å; Y161-I177 HydrophobicContact CD1-CD1 3.78Å; Y161-I177 HydrophobicContact CD1-CG1 3.95Å; Y161-I177 HydrophobicContact CD1-CG2 3.62Å; Y161-I177 HydrophobicContact CD2-CD1 3.57Å; Y161-I177 HydrophobicContact CE1-CD1 3.66Å; Y161-I177 HydrophobicContact CE1-CG1 3.68Å; Y161-I177 HydrophobicContact CE1-CG2 4.15Å; Y161-I177 HydrophobicContact CE2-CD1 3.45Å; Y161-I177 VanDerWaalsContact CE2-CD1 3.45Å; Y161-I177 HydrophobicContact CE2-CG1 4.36Å; Y161-I177 HydrophobicContact CG-CD1 3.75Å; Y161-I177 HydrophobicContact CG-CG1 4.41Å; Y161-I177 HydrophobicContact CG-CG2 4.1Å; Y161-I177 VanDerWaalsContact CZ-CD1 3.5Å; T162-I177 HydrophobicContact CG2-CB 3.98Å; T162-I177 HydrophobicContact CG2-CG2 3.53Å; E165-I177 HydrophobicContact CB-CD1 4.21Å; E165-I177 HydrophobicContact CG-CD1 3.47Å; E165-I177 VanDerWaalsContact CG-CD1 3.47Å; G173-I177 WeakPolarHBondContact O-CD1 3.31Å; G173-I177 VanDerWaalsContact O-CG1 3.31Å; G173-I177 WeakPolarHBondContact O-CG1 3.28Å; G173-I177 PolarHBondContact O-N 2.79Å; A174-I177 PolarHBondContact O-N 3.19Å; R175-I177 PolarHBondContact O-N 3.19Å; I177-E179 VanDerWaalsContact C-N 3.35Å; I177-R180 PolarHBondContact O-N 2.92Å; I177-W181 WeakPolarHBondContact O-CB 3.42Å; I177-W181 PolarHBondContact O-N 3.31Å
178	F	97.4	Very high	95.8	Very high	5 Å²	5	54.7 Å²	54.7	2%	0.022	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-44.6	173.9	-82.9	-65.2	0	0	0	111.7	T162 A174 R175 R180 W181 M182 Y194 F197	T162-F178 HydrophobicContact CG2-CD1 3.95Å; T162-F178 HydrophobicContact CG2-CD2 3.84Å; T162-F178 HydrophobicContact CG2-CE1 3.85Å; T162-F178 HydrophobicContact CG2-CE2 3.72Å; T162-F178 HydrophobicContact CG2-CG 3.93Å; T162-F178 HydrophobicContact CG2-CZ 3.72Å; A174-F178 WeakPolarHBondContact O-CD2 3.42Å; A174-F178 PolarHBondContact O-N 2.88Å; R175-F178 PolarHBondContact O-N 3.45Å; R175-F178 VanDerWaalsContact O-N 3.15Å; F178-R180 PolarHBondContact O-N 3.42Å; F178-W181 AromaticContact CD1-CE3 3.85Å; F178-W181 HydrophobicContact CD1-CE3 3.85Å; F178-W181 HydrophobicContact CD1-CZ3 4.25Å; F178-W181 HydrophobicContact CE1-CE3 4.01Å; F178-W181 AromaticContact CE1-CZ3 3.93Å; F178-W181 HydrophobicContact CE1-CZ3 3.93Å; F178-W181 CarbonylContact O-C 3.52Å; F178-W181 WeakPolarHBondContact O-CA 3.46Å; F178-W181 WeakPolarHBondContact O-CB 3.39Å; F178-W181 PolarHBondContact O-N 3.46Å; F178-M182 HydrophobicContact CD1-CE 4.37Å; F178-M182 VanDerWaalsContact O-CG 3.3Å; F178-M182 WeakPolarHBondContact O-CG 3.34Å; F178-M182 PolarHBondContact O-N 2.74Å; F178-Y194 HydrophobicContact CB-CD1 4.09Å; F178-Y194 HydrophobicContact CB-CD2 3.52Å; F178-Y194 HydrophobicContact CB-CE1 4.13Å; F178-Y194 HydrophobicContact CB-CE2 3.6Å; F178-Y194 HydrophobicContact CB-CG 3.8Å; F178-Y194 AromaticContact CD1-CD2 3.89Å; F178-Y194 HydrophobicContact CD1-CD2 3.89Å; F178-Y194 AromaticContact CD1-CG 3.86Å; F178-Y194 HydrophobicContact CD1-CG 3.86Å; F178-Y194 AromaticContact CD2-CD2 3.7Å; F178-Y194 HydrophobicContact CD2-CD2 3.7Å; F178-Y194 HydrophobicContact CD2-CE2 4.1Å; F178-Y194 HydrophobicContact CD2-CG 4.49Å; F178-Y194 HydrophobicContact CE2-CD2 4.38Å; F178-Y194 AromaticContact CG-CD2 3.44Å; F178-Y194 HydrophobicContact CG-CD2 3.44Å; F178-Y194 VanDerWaalsContact CG-CD2 3.44Å; F178-Y194 AromaticContact CG-CE2 3.95Å; F178-Y194 HydrophobicContact CG-CE2 3.95Å; F178-Y194 AromaticContact CG-CG 3.82Å; F178-Y194 HydrophobicContact CG-CG 3.82Å; F178-F197 HydrophobicContact CD2-CD1 4.1Å; F178-F197 HydrophobicContact CD2-CE1 4.43Å; F178-F197 HydrophobicContact CD2-CG 4.17Å; F178-F197 HydrophobicContact CE2-CB 3.86Å; F178-F197 HydrophobicContact CE2-CD1 4Å; F178-F197 AromaticContact CE2-CD2 3.76Å; F178-F197 HydrophobicContact CE2-CD2 3.76Å; F178-F197 HydrophobicContact CE2-CE2 4.28Å; F178-F197 AromaticContact CE2-CG 3.59Å; F178-F197 HydrophobicContact CE2-CG 3.59Å; F178-F197 HydrophobicContact CZ-CB 4.11Å; F178-F197 HydrophobicContact CZ-CG 4.33Å
179	E	96.8	Very high	95.9	Very high	63 Å²	63	56.2 Å²	56.2	29%	0.294	29%	0.287	S	S	.	.	H	α-helix	trans	-59.4	-48.1	176.9	-72.8	-58	154.9	0	0	111.8	R175 I177 W181 M182 E183 Y194 R213	R175-E179 WeakPolarHBondContact O-CG 3.09Å; R175-E179 PolarHBondContact O-N 2.9Å; I177-E179 VanDerWaalsContact C-N 3.35Å; E179-W181 PolarHBondContact O-N 2.84Å; E179-M182 PolarHBondContact O-N 3.2Å; E179-M182 VanDerWaalsContact O-N 3.16Å; E179-E183 PolarHBondContact O-N 3.3Å; E179-E183 VanDerWaalsContact O-N 3.13Å; E179-Y194 WeakPolarHBondContact OE1-CE1 3.3Å; E179-Y194 PolarHBondContact OE1-OH 2.99Å; E179-R213 VanDerWaalsContact CD-NH1 3.25Å; E179-R213 IonicContact OE1-NH1 3.66Å; E179-R213 PolarHBondContact OE1-NH1 2.97Å; E179-R213 IonicContact OE2-CZ 2.91Å; E179-R213 IonicContact OE2-NH1 3.4Å; E179-R213 PolarHBondContact OE2-NH1 3.48Å; E179-R213 IonicContact OE2-NH2 2.63Å; E179-R213 PolarHBondContact OE2-NH2 3.1Å
180	R	96.5	Very high	96	Very high	69 Å²	69	53.6 Å²	53.6	26%	0.26	26%	0.26	S	S	.	.	H	α-helix	trans	-59.3	-34.3	172.6	-74	172.6	63.7	-169.9	1.7	112.8	D145 W158 Q176 I177 F178 E183	D145-R180 IonicContact OD1-CZ 3.02Å; D145-R180 VanDerWaalsContact OD1-CZ 3.23Å; D145-R180 IonicContact OD1-NH1 3.58Å; D145-R180 PolarHBondContact OD1-NH1 2.93Å; D145-R180 IonicContact OD1-NH2 3.63Å; D145-R180 PolarHBondContact OD1-NH2 3.41Å; W158-R180 HydrophobicContact CH2-CB 4.17Å; W158-R180 HydrophobicContact CZ3-CB 4.03Å; Q176-R180 WeakPolarHBondContact O-CG 3.36Å; Q176-R180 PolarHBondContact O-N 3.12Å; I177-R180 PolarHBondContact O-N 2.92Å; F178-R180 PolarHBondContact O-N 3.42Å; R180-E183 WeakPolarHBondContact O-CB 3.38Å
181	W	97.4	Very high	96.1	Very high	1 Å²	1	50.8 Å²	50.8	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-70.4	-41.8	177.5	-169.2	15.5	0	0	0	111.3	N155 W158 Y159 I177 F178 E179 E183 W184 P186 A190	N155-W181 HydrophobicContact CB-CZ2 4.05Å; W158-W181 HydrophobicContact CB-CD2 3.43Å; W158-W181 VanDerWaalsContact CB-CD2 3.43Å; W158-W181 VanDerWaalsContact CB-CE2 3.42Å; W158-W181 HydrophobicContact CB-CE3 3.74Å; W158-W181 HydrophobicContact CB-CG 3.89Å; W158-W181 HydrophobicContact CB-CH2 4.01Å; W158-W181 HydrophobicContact CB-CZ2 3.73Å; W158-W181 HydrophobicContact CB-CZ3 4.02Å; W158-W181 AromaticContact CD1-CD1 3.57Å; W158-W181 AromaticContact CD1-CE2 3.82Å; W158-W181 AromaticContact CD1-NE1 3.33Å; W158-W181 VanDerWaalsContact CD1-NE1 3.33Å; W158-W181 HydrophobicContact CD2-CB 3.8Å; W158-W181 AromaticContact CD2-CD1 3.46Å; W158-W181 VanDerWaalsContact CD2-CD1 3.46Å; W158-W181 HydrophobicContact CD2-CD2 4.08Å; W158-W181 AromaticContact CD2-CG 3.5Å; W158-W181 HydrophobicContact CD2-CG 3.5Å; W158-W181 AromaticContact CD2-NE1 3.98Å; W158-W181 AromaticContact CE2-CD1 3.52Å; W158-W181 HydrophobicContact CE3-CB 3.47Å; W158-W181 VanDerWaalsContact CE3-CB 3.47Å; W158-W181 HydrophobicContact CE3-CD2 4.42Å; W158-W181 AromaticContact CE3-CG 3.72Å; W158-W181 HydrophobicContact CE3-CG 3.72Å; W158-W181 HydrophobicContact CG-CB 4.37Å; W158-W181 AromaticContact CG-CD1 3.47Å; W158-W181 VanDerWaalsContact CG-CD1 3.47Å; W158-W181 AromaticContact CG-CD2 3.68Å; W158-W181 HydrophobicContact CG-CD2 3.68Å; W158-W181 AromaticContact CG-CE2 3.59Å; W158-W181 HydrophobicContact CG-CE3 4.44Å; W158-W181 AromaticContact CG-CG 3.61Å; W158-W181 HydrophobicContact CG-CG 3.61Å; W158-W181 HydrophobicContact CG-CZ2 4.28Å; W158-W181 AromaticContact CG-NE1 3.46Å; W158-W181 HydrophobicContact CH2-CB 4.28Å; W158-W181 HydrophobicContact CZ3-CB 3.73Å; W158-W181 HydrophobicContact CZ3-CG 4.36Å; W158-W181 AromaticContact NE1-CD1 3.58Å; W158-W181 AromaticContact NE1-NE1 3.72Å; Y159-W181 AromaticContact CD1-CH2 3.82Å; Y159-W181 HydrophobicContact CD1-CH2 3.82Å; Y159-W181 HydrophobicContact CD1-CZ3 4.16Å; Y159-W181 HydrophobicContact CD2-CH2 4.05Å; Y159-W181 AromaticContact CE1-CH2 3.55Å; Y159-W181 HydrophobicContact CE1-CH2 3.55Å; Y159-W181 HydrophobicContact CE1-CZ3 4.08Å; Y159-W181 AromaticContact CE2-CH2 3.79Å; Y159-W181 HydrophobicContact CE2-CH2 3.79Å; Y159-W181 HydrophobicContact CE2-CZ2 4.25Å; Y159-W181 HydrophobicContact CG-CH2 4.06Å; Y159-W181 AromaticContact CZ-CH2 3.52Å; I177-W181 WeakPolarHBondContact O-CB 3.42Å; I177-W181 PolarHBondContact O-N 3.31Å; F178-W181 AromaticContact CD1-CE3 3.85Å; F178-W181 HydrophobicContact CD1-CE3 3.85Å; F178-W181 HydrophobicContact CD1-CZ3 4.25Å; F178-W181 HydrophobicContact CE1-CE3 4.01Å; F178-W181 AromaticContact CE1-CZ3 3.93Å; F178-W181 HydrophobicContact CE1-CZ3 3.93Å; F178-W181 CarbonylContact O-C 3.52Å; F178-W181 WeakPolarHBondContact O-CA 3.46Å; F178-W181 WeakPolarHBondContact O-CB 3.39Å; F178-W181 PolarHBondContact O-N 3.46Å; E179-W181 PolarHBondContact O-N 2.84Å; W181-E183 VanDerWaalsContact C-N 3.25Å; W181-E183 PolarHBondContact O-N 3.42Å; W181-W184 WeakPolarHBondContact O-CB 3.35Å; W181-W184 PolarHBondContact O-N 2.86Å; W181-P186 HydrophobicContact CD2-CG 4.37Å; W181-P186 HydrophobicContact CG-CG 4.28Å; W181-P186 HydrophobicContact CZ2-CB 4.44Å; W181-P186 WeakPolarHBondContact O-CD 3.17Å; W181-A190 HydrophobicContact CD2-CB 4.27Å; W181-A190 HydrophobicContact CE3-CB 4.33Å; W181-A190 HydrophobicContact CH2-CB 3.4Å; W181-A190 HydrophobicContact CZ2-CB 3.31Å; W181-A190 HydrophobicContact CZ3-CB 3.93Å
182	M	96.5	Very high	96.2	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.02	24%	0.239	C	C	.	.	H	α-helix	trans	-67.1	-24.3	179.2	-65	-47	116.2	0	0	112.8	F178 E179 W184 Q185 P186 A190 W191 Y194	F178-M182 HydrophobicContact CD1-CE 4.37Å; F178-M182 VanDerWaalsContact O-CG 3.3Å; F178-M182 WeakPolarHBondContact O-CG 3.34Å; F178-M182 PolarHBondContact O-N 2.74Å; E179-M182 PolarHBondContact O-N 3.2Å; E179-M182 VanDerWaalsContact O-N 3.16Å; M182-W184 PolarHBondContact O-N 2.73Å; M182-Q185 PolarHBondContact O-N 3.46Å; M182-P186 HydrophobicContact CE-CG 3.85Å; M182-P186 HydrophobicContact SD-CG 3.97Å; M182-A190 HydrophobicContact CE-CB 4.26Å; M182-W191 HydrophobicContact CB-CH2 3.76Å; M182-W191 HydrophobicContact CB-CZ2 4.09Å; M182-W191 HydrophobicContact CB-CZ3 4.17Å; M182-W191 HydrophobicContact CG-CE3 4.16Å; M182-W191 HydrophobicContact CG-CH2 3.94Å; M182-W191 HydrophobicContact CG-CZ2 4.3Å; M182-W191 HydrophobicContact CG-CZ3 3.86Å; M182-W191 HydrophobicContact SD-CD2 3.37Å; M182-W191 HydrophobicContact SD-CE3 3.51Å; M182-W191 VanDerWaalsContact SD-CE3 3.51Å; M182-W191 HydrophobicContact SD-CG 3.93Å; M182-W191 HydrophobicContact SD-CH2 3.91Å; M182-W191 HydrophobicContact SD-CZ2 3.77Å; M182-W191 HydrophobicContact SD-CZ3 3.78Å; M182-Y194 HydrophobicContact CG-CD1 3.88Å; M182-Y194 HydrophobicContact CG-CE1 4.3Å; M182-Y194 HydrophobicContact SD-CD1 4.47Å
183	E	95.9	Very high	96.2	Very high	145 Å²	145	47.7 Å²	47.7	68%	0.678	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.5	169.4	-69.8	171.4	-176.7	0	0	112.4	E179 R180 W181 Q185	E179-E183 PolarHBondContact O-N 3.3Å; E179-E183 VanDerWaalsContact O-N 3.13Å; R180-E183 WeakPolarHBondContact O-CB 3.38Å; W181-E183 VanDerWaalsContact C-N 3.25Å; W181-E183 PolarHBondContact O-N 3.42Å; E183-Q185 VanDerWaalsContact C-N 3.26Å; E183-Q185 PolarHBondContact O-N 2.88Å
184	W	95.7	Very high	96.3	Very high	107 Å²	107	47.7 Å²	47.7	41%	0.405	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-2.3	177.7	-71.9	95.9	0	0	0	114.4	P152 R153 W158 W181 M182	P152-W184 HydrophobicContact CB-CD2 3.55Å; P152-W184 HydrophobicContact CB-CE3 4.03Å; P152-W184 HydrophobicContact CB-CG 4.03Å; P152-W184 HydrophobicContact CB-CH2 4.06Å; P152-W184 HydrophobicContact CB-CZ2 3.58Å; P152-W184 HydrophobicContact CB-CZ3 4.26Å; P152-W184 HydrophobicContact CG-CD2 4.08Å; P152-W184 HydrophobicContact CG-CE3 4.08Å; P152-W184 HydrophobicContact CG-CH2 3.57Å; P152-W184 HydrophobicContact CG-CZ2 3.55Å; P152-W184 HydrophobicContact CG-CZ3 3.84Å; R153-W184 PolarHBondContact NH1-O 3.36Å; W158-W184 AromaticContact CZ2-CD1 3.76Å; W181-W184 WeakPolarHBondContact O-CB 3.35Å; W181-W184 PolarHBondContact O-N 2.86Å; M182-W184 PolarHBondContact O-N 2.73Å
185	Q	94.7	Very high	96.3	Very high	120 Å²	120	47.7 Å²	47.7	56%	0.561	22%	0.217	S	C	*	.			trans	49.5	63.9	-176.4	-61.9	175.6	-18.3	0	0	111.4	M182 E183 V217	M182-Q185 PolarHBondContact O-N 3.46Å; E183-Q185 VanDerWaalsContact C-N 3.26Å; E183-Q185 PolarHBondContact O-N 2.88Å; Q185-V217 HydrophobicContact CB-CG1 3.62Å; Q185-V217 HydrophobicContact CG-CG1 3.69Å; Q185-V217 HydrophobicContact CG-CG2 4.19Å
186	P	95.2	Very high	96.2	Very high	7 Å²	7	49.4 Å²	49.4	5%	0.045	23%	0.229	C	C	.	.			trans	-72.6	176.2	-176	32.4	-36.5	0	0	0	111.8	W181 M182 A190 W191 H218	W181-P186 HydrophobicContact CD2-CG 4.37Å; W181-P186 HydrophobicContact CG-CG 4.28Å; W181-P186 HydrophobicContact CZ2-CB 4.44Å; W181-P186 WeakPolarHBondContact O-CD 3.17Å; M182-P186 HydrophobicContact CE-CG 3.85Å; M182-P186 HydrophobicContact SD-CG 3.97Å; P186-A190 HydrophobicContact CB-CB 3.62Å; P186-A190 HydrophobicContact CG-CB 3.49Å; P186-A190 VanDerWaalsContact CG-CB 3.49Å; P186-W191 PolarHBondContact O-NE1 3.39Å; P186-H218 PolarHBondContact O-CE1 3.5Å; P186-H218 PolarHBondContact O-NE2 2.94Å
187	E	94.3	Very high	96.3	Very high	99 Å²	99	43 Å²	43	46%	0.463	20%	0.2	S	C	.	.			trans	-56.6	162.2	178.9	69.1	-173.3	167.1	0	0	114.1	N155 Q189 A190	N155-E187 PolarHBondContact ND2-OE1 3.28Å; E187-Q189 HydrophobicContact CG-CB 4.23Å; E187-Q189 PolarHBondContact O-N 3.32Å; E187-A190 HydrophobicContact CG-CB 4.47Å; E187-A190 WeakPolarHBondContact O-CB 3.39Å; E187-A190 PolarHBondContact O-N 2.9Å
188	E	95	Very high	96.2	Very high	41 Å²	41	42.8 Å²	42.8	19%	0.192	20%	0.198	C	C	.	.	H	α-helix	trans	-46.5	-42.6	-179.7	-153.9	-158	144.5	0	0	112.9	A190 W191 H192 F214 K222 N223 K226	E188-A190 VanDerWaalsContact C-N 3.31Å; E188-A190 PolarHBondContact O-N 3.39Å; E188-W191 PolarHBondContact O-N 2.87Å; E188-H192 PolarHBondContact O-CD2 3.48Å; E188-H192 PolarHBondContact O-N 3.03Å; E188-H192 VanDerWaalsContact O-N 3.08Å; E188-H192 IonicContact OE1-CD2 2.69Å; E188-H192 IonicContact OE1-CE1 3.65Å; E188-H192 IonicContact OE1-NE2 3.83Å; E188-H192 PolarHBondContact OE1-NE2 2.95Å; E188-F214 HydrophobicContact CG-CE2 3.86Å; E188-F214 HydrophobicContact CG-CZ 3.49Å; E188-F214 VanDerWaalsContact CG-CZ 3.49Å; E188-K222 IonicContact OE1-NZ 3Å; E188-K222 IonicContact OE2-NZ 2.9Å; E188-K222 PolarHBondContact OE2-NZ 3.12Å; E188-N223 PolarHBondContact OE1-OD1 2.89Å; E188-K226 IonicContact OE1-NZ 3.22Å; E188-K226 PolarHBondContact OE1-NZ 3.44Å
189	Q	96	Very high	96.1	Very high	112 Å²	112	45 Å²	45	52%	0.523	21%	0.21	S	C	.	.	H	α-helix	trans	-66	-31.2	-175.9	-169	60.7	21.8	0	0	113.3	Y159 E187 H192 A193	Y159-Q189 WeakPolarHBondContact OH-CG 3.48Å; E187-Q189 HydrophobicContact CG-CB 4.23Å; E187-Q189 PolarHBondContact O-N 3.32Å; Q189-H192 PolarHBondContact O-N 3.41Å; Q189-A193 WeakPolarHBondContact O-CB 3.22Å; Q189-A193 PolarHBondContact O-N 3.16Å
190	A	96.8	Very high	96	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-68.1	-41.1	177.6	0	0	0	0	0	111.4	W181 M182 P186 E187 E188 A193 Y194	W181-A190 HydrophobicContact CD2-CB 4.27Å; W181-A190 HydrophobicContact CE3-CB 4.33Å; W181-A190 HydrophobicContact CH2-CB 3.4Å; W181-A190 HydrophobicContact CZ2-CB 3.31Å; W181-A190 HydrophobicContact CZ3-CB 3.93Å; M182-A190 HydrophobicContact CE-CB 4.26Å; P186-A190 HydrophobicContact CB-CB 3.62Å; P186-A190 HydrophobicContact CG-CB 3.49Å; P186-A190 VanDerWaalsContact CG-CB 3.49Å; E187-A190 HydrophobicContact CG-CB 4.47Å; E187-A190 WeakPolarHBondContact O-CB 3.39Å; E187-A190 PolarHBondContact O-N 2.9Å; E188-A190 VanDerWaalsContact C-N 3.31Å; E188-A190 PolarHBondContact O-N 3.39Å; A190-A193 WeakPolarHBondContact O-CB 2.93Å; A190-A193 PolarHBondContact O-N 2.62Å; A190-Y194 PolarHBondContact O-N 2.76Å
191	W	97.2	Very high	95.8	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-45.9	173.4	-68.9	92.5	0	0	0	111.3	M182 P186 E188 A193 Y194 I195 V210 R213 F214 V217 H218	M182-W191 HydrophobicContact CB-CH2 3.76Å; M182-W191 HydrophobicContact CB-CZ2 4.09Å; M182-W191 HydrophobicContact CB-CZ3 4.17Å; M182-W191 HydrophobicContact CG-CE3 4.16Å; M182-W191 HydrophobicContact CG-CH2 3.94Å; M182-W191 HydrophobicContact CG-CZ2 4.3Å; M182-W191 HydrophobicContact CG-CZ3 3.86Å; M182-W191 HydrophobicContact SD-CD2 3.37Å; M182-W191 HydrophobicContact SD-CE3 3.51Å; M182-W191 VanDerWaalsContact SD-CE3 3.51Å; M182-W191 HydrophobicContact SD-CG 3.93Å; M182-W191 HydrophobicContact SD-CH2 3.91Å; M182-W191 HydrophobicContact SD-CZ2 3.77Å; M182-W191 HydrophobicContact SD-CZ3 3.78Å; P186-W191 PolarHBondContact O-NE1 3.39Å; E188-W191 PolarHBondContact O-N 2.87Å; W191-A193 VanDerWaalsContact C-N 3.27Å; W191-A193 PolarHBondContact O-N 3.09Å; W191-Y194 PolarHBondContact O-N 3.04Å; W191-Y194 VanDerWaalsContact O-N 3.13Å; W191-I195 WeakPolarHBondContact O-CG1 3.33Å; W191-I195 PolarHBondContact O-N 3.42Å; W191-V210 HydrophobicContact CE3-CG1 3.84Å; W191-V210 HydrophobicContact CZ3-CG1 4.23Å; W191-R213 HydrophobicContact CH2-CB 4.04Å; W191-R213 HydrophobicContact CZ3-CB 3.77Å; W191-F214 HydrophobicContact CB-CB 4.37Å; W191-F214 HydrophobicContact CB-CD2 3.4Å; W191-F214 VanDerWaalsContact CB-CD2 3.4Å; W191-F214 HydrophobicContact CB-CE2 3.81Å; W191-F214 HydrophobicContact CB-CG 3.93Å; W191-F214 AromaticContact CD1-CD2 3.72Å; W191-F214 HydrophobicContact CD2-CB 4.01Å; W191-F214 AromaticContact CD2-CD2 3.78Å; W191-F214 HydrophobicContact CD2-CD2 3.78Å; W191-F214 HydrophobicContact CD2-CG 4.3Å; W191-F214 HydrophobicContact CE3-CB 3.7Å; W191-F214 HydrophobicContact CE3-CD2 4.35Å; W191-F214 HydrophobicContact CE3-CG 4.43Å; W191-F214 HydrophobicContact CG-CB 4.32Å; W191-F214 AromaticContact CG-CD2 3.33Å; W191-F214 HydrophobicContact CG-CD2 3.33Å; W191-F214 AromaticContact CG-CE2 3.95Å; W191-F214 HydrophobicContact CG-CE2 3.95Å; W191-F214 HydrophobicContact CG-CG 4.1Å; W191-F214 HydrophobicContact CZ3-CB 4.32Å; W191-V217 HydrophobicContact CH2-CG2 4.08Å; W191-V217 HydrophobicContact CZ2-CB 4.01Å; W191-V217 HydrophobicContact CZ2-CG1 4.01Å; W191-V217 HydrophobicContact CZ2-CG2 3.82Å; W191-H218 AromaticContact CD1-CD2 3.66Å; W191-H218 AromaticContact CD1-NE2 3.76Å; W191-H218 AromaticContact NE1-CD2 3.54Å; W191-H218 AromaticContact NE1-NE2 3.5Å
192	H	96.4	Very high	95.6	Very high	17 Å²	17	57.4 Å²	57.4	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-60.6	-36.2	174.3	-71.6	-55.3	0	0	0	112.4	E188 Q189 Y194 I195 N196 F214 K226	E188-H192 PolarHBondContact O-CD2 3.48Å; E188-H192 PolarHBondContact O-N 3.03Å; E188-H192 VanDerWaalsContact O-N 3.08Å; E188-H192 IonicContact OE1-CD2 2.69Å; E188-H192 IonicContact OE1-CE1 3.65Å; E188-H192 IonicContact OE1-NE2 3.83Å; E188-H192 PolarHBondContact OE1-NE2 2.95Å; Q189-H192 PolarHBondContact O-N 3.41Å; H192-Y194 VanDerWaalsContact C-N 3.34Å; H192-I195 PolarHBondContact O-N 2.94Å; H192-N196 VanDerWaalsContact O-CB 3.23Å; H192-N196 WeakPolarHBondContact O-CB 3.37Å; H192-N196 PolarHBondContact O-N 2.85Å; H192-N196 PolarHBondContact O-ND2 2.93Å; H192-F214 AromaticContact CE1-CE1 3.9Å; H192-F214 AromaticContact NE2-CZ 3.86Å; H192-K226 PolarHBondContact NE2-NZ 3.43Å
193	A	96.4	Very high	95.4	Very high	19 Å²	19	60.8 Å²	60.8	16%	0.157	28%	0.276	C	S	.	.	H	α-helix	trans	-64.8	-39	175.5	0	0	0	0	0	112.2	Y159 Q189 A190 W191 F197	Y159-A193 HydrophobicContact CE1-CB 3.74Å; Q189-A193 WeakPolarHBondContact O-CB 3.22Å; Q189-A193 PolarHBondContact O-N 3.16Å; A190-A193 WeakPolarHBondContact O-CB 2.93Å; A190-A193 PolarHBondContact O-N 2.62Å; W191-A193 VanDerWaalsContact C-N 3.27Å; W191-A193 PolarHBondContact O-N 3.09Å; A193-F197 WeakPolarHBondContact O-CB 3.44Å; A193-F197 PolarHBondContact O-N 2.77Å
194	Y	97.3	Very high	95.2	Very high	9 Å²	9	56.4 Å²	56.4	4%	0.035	26%	0.256	C	S	.	.	H	α-helix	trans	-69.8	-43.6	175.6	-173	-158	0	0	0	112.2	F178 E179 M182 A190 W191 H192 N196 F197 E198 V210	F178-Y194 HydrophobicContact CB-CD1 4.09Å; F178-Y194 HydrophobicContact CB-CD2 3.52Å; F178-Y194 HydrophobicContact CB-CE1 4.13Å; F178-Y194 HydrophobicContact CB-CE2 3.6Å; F178-Y194 HydrophobicContact CB-CG 3.8Å; F178-Y194 AromaticContact CD1-CD2 3.89Å; F178-Y194 HydrophobicContact CD1-CD2 3.89Å; F178-Y194 AromaticContact CD1-CG 3.86Å; F178-Y194 HydrophobicContact CD1-CG 3.86Å; F178-Y194 AromaticContact CD2-CD2 3.7Å; F178-Y194 HydrophobicContact CD2-CD2 3.7Å; F178-Y194 HydrophobicContact CD2-CE2 4.1Å; F178-Y194 HydrophobicContact CD2-CG 4.49Å; F178-Y194 HydrophobicContact CE2-CD2 4.38Å; F178-Y194 AromaticContact CG-CD2 3.44Å; F178-Y194 HydrophobicContact CG-CD2 3.44Å; F178-Y194 VanDerWaalsContact CG-CD2 3.44Å; F178-Y194 AromaticContact CG-CE2 3.95Å; F178-Y194 HydrophobicContact CG-CE2 3.95Å; F178-Y194 AromaticContact CG-CG 3.82Å; F178-Y194 HydrophobicContact CG-CG 3.82Å; E179-Y194 WeakPolarHBondContact OE1-CE1 3.3Å; E179-Y194 PolarHBondContact OE1-OH 2.99Å; M182-Y194 HydrophobicContact CG-CD1 3.88Å; M182-Y194 HydrophobicContact CG-CE1 4.3Å; M182-Y194 HydrophobicContact SD-CD1 4.47Å; A190-Y194 PolarHBondContact O-N 2.76Å; W191-Y194 PolarHBondContact O-N 3.04Å; W191-Y194 VanDerWaalsContact O-N 3.13Å; H192-Y194 VanDerWaalsContact C-N 3.34Å; Y194-N196 PolarHBondContact O-N 3.49Å; Y194-F197 HydrophobicContact CD2-CD1 4.06Å; Y194-F197 HydrophobicContact CE2-CD1 4.13Å; Y194-F197 WeakPolarHBondContact O-CA 3.44Å; Y194-F197 WeakPolarHBondContact O-CB 3.33Å; Y194-F197 PolarHBondContact O-N 3.09Å; Y194-F197 VanDerWaalsContact O-N 3.1Å; Y194-E198 HydrophobicContact CD2-CG 4.39Å; Y194-E198 HydrophobicContact CE2-CG 4.04Å; Y194-E198 PolarHBondContact O-N 2.85Å; Y194-V210 HydrophobicContact CD1-CB 4.31Å; Y194-V210 HydrophobicContact CD1-CG1 3.61Å; Y194-V210 HydrophobicContact CD1-CG2 3.6Å; Y194-V210 HydrophobicContact CE1-CB 4.49Å; Y194-V210 HydrophobicContact CE1-CG1 4.21Å; Y194-V210 HydrophobicContact CE1-CG2 3.38Å; Y194-V210 HydrophobicContact CG-CG1 4.23Å; Y194-V210 HydrophobicContact CG-CG2 4.3Å
195	I	96.1	Very high	95.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.3	-50.9	173.4	-69.1	159.2	0	0	0	109.8	W191 H192 F197 E198 L199 A207 V210 Y211	W191-I195 WeakPolarHBondContact O-CG1 3.33Å; W191-I195 PolarHBondContact O-N 3.42Å; H192-I195 PolarHBondContact O-N 2.94Å; I195-F197 PolarHBondContact O-N 3.28Å; I195-E198 PolarHBondContact O-N 3.24Å; I195-E198 VanDerWaalsContact O-N 3.13Å; I195-L199 HydrophobicContact CG2-CD1 3.98Å; I195-L199 HydrophobicContact CG2-CG 4.3Å; I195-L199 VanDerWaalsContact O-CG 3.31Å; I195-L199 WeakPolarHBondContact O-CG 3.5Å; I195-L199 PolarHBondContact O-N 2.96Å; I195-A207 HydrophobicContact CG2-CB 4.45Å; I195-V210 HydrophobicContact CD1-CG1 4.25Å; I195-V210 HydrophobicContact CG1-CB 4.02Å; I195-V210 HydrophobicContact CG1-CG1 3.58Å; I195-Y211 HydrophobicContact CB-CE2 4.42Å; I195-Y211 HydrophobicContact CD1-CD1 3.77Å; I195-Y211 HydrophobicContact CD1-CD2 4.01Å; I195-Y211 HydrophobicContact CD1-CE1 3.59Å; I195-Y211 HydrophobicContact CD1-CE2 3.86Å; I195-Y211 HydrophobicContact CD1-CG 3.96Å; I195-Y211 HydrophobicContact CG1-CD2 4.24Å; I195-Y211 HydrophobicContact CG1-CE2 4.15Å; I195-Y211 HydrophobicContact CG2-CD2 4.17Å; I195-Y211 HydrophobicContact CG2-CE2 3.42Å; I195-Y211 VanDerWaalsContact CG2-CE2 3.42Å
196	N	96.1	Very high	95.1	Very high	79 Å²	79	55.8 Å²	55.8	42%	0.422	26%	0.256	S	S	.	.	H	α-helix	trans	-61.7	-30.8	178.1	-73	-32.5	0	0	0	112.5	H192 Y194 R200	H192-N196 VanDerWaalsContact O-CB 3.23Å; H192-N196 WeakPolarHBondContact O-CB 3.37Å; H192-N196 PolarHBondContact O-N 2.85Å; H192-N196 PolarHBondContact O-ND2 2.93Å; Y194-N196 PolarHBondContact O-N 3.49Å; N196-R200 VanDerWaalsContact C-NH1 3.34Å; N196-R200 WeakPolarHBondContact O-CG 3.21Å; N196-R200 PolarHBondContact O-N 3.32Å; N196-R200 PolarHBondContact O-NH1 3.45Å; N196-R200 VanDerWaalsContact O-NH1 3.14Å
197	F	96.6	Very high	95.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-49.5	172.7	167.3	-89.1	0	0	0	111.2	E166 V171 A174 R175 F178 A193 Y194 I195 L199 R200 Y201	E166-F197 HydrophobicContact CG-CE2 4.27Å; V171-F197 HydrophobicContact CG1-CE1 4.4Å; V171-F197 HydrophobicContact CG1-CE2 4.46Å; V171-F197 HydrophobicContact CG1-CZ 3.67Å; A174-F197 HydrophobicContact CB-CE2 3.86Å; A174-F197 HydrophobicContact CB-CZ 3.88Å; R175-F197 HydrophobicContact CG-CE1 3.48Å; R175-F197 VanDerWaalsContact CG-CE1 3.48Å; R175-F197 HydrophobicContact CG-CZ 3.99Å; F178-F197 HydrophobicContact CD2-CD1 4.1Å; F178-F197 HydrophobicContact CD2-CE1 4.43Å; F178-F197 HydrophobicContact CD2-CG 4.17Å; F178-F197 HydrophobicContact CE2-CB 3.86Å; F178-F197 HydrophobicContact CE2-CD1 4Å; F178-F197 AromaticContact CE2-CD2 3.76Å; F178-F197 HydrophobicContact CE2-CD2 3.76Å; F178-F197 HydrophobicContact CE2-CE2 4.28Å; F178-F197 AromaticContact CE2-CG 3.59Å; F178-F197 HydrophobicContact CE2-CG 3.59Å; F178-F197 HydrophobicContact CZ-CB 4.11Å; F178-F197 HydrophobicContact CZ-CG 4.33Å; A193-F197 WeakPolarHBondContact O-CB 3.44Å; A193-F197 PolarHBondContact O-N 2.77Å; Y194-F197 HydrophobicContact CD2-CD1 4.06Å; Y194-F197 HydrophobicContact CE2-CD1 4.13Å; Y194-F197 WeakPolarHBondContact O-CA 3.44Å; Y194-F197 WeakPolarHBondContact O-CB 3.33Å; Y194-F197 PolarHBondContact O-N 3.09Å; Y194-F197 VanDerWaalsContact O-N 3.1Å; I195-F197 PolarHBondContact O-N 3.28Å; F197-L199 VanDerWaalsContact C-N 3.31Å; F197-L199 PolarHBondContact O-N 3.41Å; F197-R200 WeakPolarHBondContact O-CB 3.18Å; F197-R200 PolarHBondContact O-N 2.85Å; F197-Y201 HydrophobicContact CD2-CD2 4.42Å; F197-Y201 AromaticContact CD2-CE2 3.94Å; F197-Y201 HydrophobicContact CD2-CE2 3.94Å; F197-Y201 HydrophobicContact CE1-CD2 4.44Å; F197-Y201 HydrophobicContact CE2-CD2 4.15Å; F197-Y201 AromaticContact CE2-CE2 3.53Å; F197-Y201 HydrophobicContact CE2-CE2 3.53Å; F197-Y201 HydrophobicContact CZ-CD2 4.17Å; F197-Y201 AromaticContact CZ-CE2 3.89Å; F197-Y201 HydrophobicContact CZ-CE2 3.89Å; F197-Y201 VanDerWaalsContact O-CD2 3.3Å; F197-Y201 WeakPolarHBondContact O-CD2 3.39Å
198	E	95.9	Very high	95.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-35.1	176.8	-65.7	-61	167.6	0	0	112.2	R175 Y194 I195 R200 Y201 K202 E203 R206 A207	R175-E198 WeakPolarHBondContact CD-OE1 3.5Å; R175-E198 WeakPolarHBondContact CG-OE1 3.34Å; R175-E198 IonicContact CZ-OE1 3.53Å; R175-E198 IonicContact CZ-OE2 3.98Å; R175-E198 IonicContact NE-OE1 2.94Å; R175-E198 PolarHBondContact NE-OE1 3.49Å; R175-E198 IonicContact NE-OE2 2.79Å; R175-E198 PolarHBondContact NE-OE2 3.29Å; R175-E198 IonicContact NH2-OE1 2.93Å; R175-E198 IonicContact NH2-OE2 3.87Å; R175-E198 PolarHBondContact NH2-OE2 2.98Å; Y194-E198 HydrophobicContact CD2-CG 4.39Å; Y194-E198 HydrophobicContact CE2-CG 4.04Å; Y194-E198 PolarHBondContact O-N 2.85Å; I195-E198 PolarHBondContact O-N 3.24Å; I195-E198 VanDerWaalsContact O-N 3.13Å; E198-R200 VanDerWaalsContact C-N 3.35Å; E198-R200 PolarHBondContact O-N 3.34Å; E198-Y201 CarbonylContact O-C 3.56Å; E198-Y201 PolarHBondContact O-N 2.95Å; E198-Y201 VanDerWaalsContact O-N 3.15Å; E198-K202 PolarHBondContact O-N 2.96Å; E198-K202 VanDerWaalsContact O-N 3.16Å; E198-E203 HydrophobicContact CB-CB 4.24Å; E198-E203 PolarHBondContact O-N 2.63Å; E198-E203 WeakPolarHBondContact OE2-CB 3.28Å; E198-R206 HydrophobicContact CB-CB 4.41Å; E198-R206 HydrophobicContact CG-CB 4Å; E198-A207 HydrophobicContact CB-CB 4.16Å
199	L	94.4	Very high	95.1	Very high	52 Å²	52	56.7 Å²	56.7	27%	0.272	26%	0.261	S	S	.	.	H	α-helix	trans	-64.9	-33.8	174.6	-64.2	180	0	0	0	113.3	I195 F197 Y201 K202 M204 A207 F230	I195-L199 HydrophobicContact CG2-CD1 3.98Å; I195-L199 HydrophobicContact CG2-CG 4.3Å; I195-L199 VanDerWaalsContact O-CG 3.31Å; I195-L199 WeakPolarHBondContact O-CG 3.5Å; I195-L199 PolarHBondContact O-N 2.96Å; F197-L199 VanDerWaalsContact C-N 3.31Å; F197-L199 PolarHBondContact O-N 3.41Å; L199-Y201 PolarHBondContact O-N 3.44Å; L199-K202 PolarHBondContact O-N 3.41Å; L199-K202 VanDerWaalsContact O-N 3.15Å; L199-M204 HydrophobicContact CD2-CE 3.81Å; L199-M204 HydrophobicContact CD2-SD 3.48Å; L199-M204 WeakPolarHBondContact CD2-SD 3.43Å; L199-A207 HydrophobicContact CD2-CB 3.82Å; L199-A207 HydrophobicContact CG-CB 4.29Å; L199-F230 HydrophobicContact CD1-CE2 4.09Å; L199-F230 HydrophobicContact CD2-CE2 3.58Å; L199-F230 HydrophobicContact CD2-CZ 4.04Å; L199-F230 HydrophobicContact CG-CE2 4.41Å
200	R	94.8	Very high	95.1	Very high	128 Å²	128	51.5 Å²	51.5	48%	0.483	24%	0.237	S	C	.	.	H	α-helix	trans	-60.6	-33.7	173.4	-78	-169.6	-61.1	-81.5	15.5	112.1	E166 N196 F197 E198	E166-R200 VanDerWaalsContact CD-NH2 3.31Å; E166-R200 IonicContact OE1-CZ 3.23Å; E166-R200 IonicContact OE1-NE 2.97Å; E166-R200 PolarHBondContact OE1-NE 3.18Å; E166-R200 IonicContact OE1-NH2 3.09Å; E166-R200 PolarHBondContact OE1-NH2 3.01Å; E166-R200 IonicContact OE2-CZ 3.19Å; E166-R200 IonicContact OE2-NE 2.78Å; E166-R200 IonicContact OE2-NH2 3.23Å; E166-R200 PolarHBondContact OE2-NH2 2.86Å; N196-R200 VanDerWaalsContact C-NH1 3.34Å; N196-R200 WeakPolarHBondContact O-CG 3.21Å; N196-R200 PolarHBondContact O-N 3.32Å; N196-R200 PolarHBondContact O-NH1 3.45Å; N196-R200 VanDerWaalsContact O-NH1 3.14Å; F197-R200 WeakPolarHBondContact O-CB 3.18Å; F197-R200 PolarHBondContact O-N 2.85Å; E198-R200 VanDerWaalsContact C-N 3.35Å; E198-R200 PolarHBondContact O-N 3.34Å
201	Y	93.8	Very high	95	Very high	84 Å²	84	52.4 Å²	52.4	33%	0.329	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	7.5	178.7	-66.1	-76.3	0	0	0	113.8	V171 F197 E198 L199 E203	V171-Y201 HydrophobicContact CG1-CD1 4.49Å; V171-Y201 HydrophobicContact CG1-CD2 4.14Å; V171-Y201 HydrophobicContact CG1-CE1 4.34Å; V171-Y201 HydrophobicContact CG1-CE2 4.02Å; V171-Y201 HydrophobicContact CG1-CG 4.4Å; V171-Y201 HydrophobicContact CG2-CE1 3.79Å; V171-Y201 HydrophobicContact CG2-CE2 4.45Å; F197-Y201 HydrophobicContact CD2-CD2 4.42Å; F197-Y201 AromaticContact CD2-CE2 3.94Å; F197-Y201 HydrophobicContact CD2-CE2 3.94Å; F197-Y201 HydrophobicContact CE1-CD2 4.44Å; F197-Y201 HydrophobicContact CE2-CD2 4.15Å; F197-Y201 AromaticContact CE2-CE2 3.53Å; F197-Y201 HydrophobicContact CE2-CE2 3.53Å; F197-Y201 HydrophobicContact CZ-CD2 4.17Å; F197-Y201 AromaticContact CZ-CE2 3.89Å; F197-Y201 HydrophobicContact CZ-CE2 3.89Å; F197-Y201 VanDerWaalsContact O-CD2 3.3Å; F197-Y201 WeakPolarHBondContact O-CD2 3.39Å; E198-Y201 CarbonylContact O-C 3.56Å; E198-Y201 PolarHBondContact O-N 2.95Å; E198-Y201 VanDerWaalsContact O-N 3.15Å; L199-Y201 PolarHBondContact O-N 3.44Å; Y201-E203 PolarHBondContact O-N 3.05Å
202	K	92.1	Very high	94.9	Very high	180 Å²	180	54.4 Å²	54.4	78%	0.783	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	23.9	-178.9	-53.7	179.2	178.5	179.8	0	114.3	E198 L199 M204	E198-K202 PolarHBondContact O-N 2.96Å; E198-K202 VanDerWaalsContact O-N 3.16Å; L199-K202 PolarHBondContact O-N 3.41Å; L199-K202 VanDerWaalsContact O-N 3.15Å; K202-M204 VanDerWaalsContact C-N 3.33Å; K202-M204 PolarHBondContact O-N 2.91Å; K202-M204 VanDerWaalsContact O-N 3.09Å
203	E	93.8	Very high	94.9	Very high	76 Å²	76	57.6 Å²	57.6	36%	0.355	26%	0.261	S	S	.	.			trans	-87.2	71.7	178.7	-67.5	-71	165.8	0	0	110.5	E198 Y201 D205 R206 A207	E198-E203 HydrophobicContact CB-CB 4.24Å; E198-E203 PolarHBondContact O-N 2.63Å; E198-E203 WeakPolarHBondContact OE2-CB 3.28Å; Y201-E203 PolarHBondContact O-N 3.05Å; E203-D205 PolarHBondContact O-N 3.34Å; E203-R206 HydrophobicContact CB-CB 4.09Å; E203-R206 HydrophobicContact CB-CG 4.22Å; E203-R206 PolarHBondContact O-N 3.02Å; E203-R206 IonicContact OE2-NE 3.33Å; E203-A207 PolarHBondContact O-N 3.47Å
204	M	91.4	Very high	94.9	Very high	52 Å²	52	56.7 Å²	56.7	26%	0.256	25%	0.253	S	S	.	.	H	α-helix	trans	-63.5	-40.5	-172.8	-58.4	-55.6	-69.6	0	0	112.8	L199 K202 R206 A207 R208 F230 N234	L199-M204 HydrophobicContact CD2-CE 3.81Å; L199-M204 HydrophobicContact CD2-SD 3.48Å; L199-M204 WeakPolarHBondContact CD2-SD 3.43Å; K202-M204 VanDerWaalsContact C-N 3.33Å; K202-M204 PolarHBondContact O-N 2.91Å; K202-M204 VanDerWaalsContact O-N 3.09Å; M204-R206 VanDerWaalsContact C-N 3.31Å; M204-R206 PolarHBondContact O-N 3.46Å; M204-A207 WeakPolarHBondContact O-CB 3.49Å; M204-A207 PolarHBondContact O-N 3.26Å; M204-R208 PolarHBondContact O-N 3.27Å; M204-F230 HydrophobicContact CE-CE2 3.79Å; M204-F230 HydrophobicContact CE-CZ 3.72Å; M204-N234 HydrophobicContact CE-CB 4.21Å; M204-N234 WeakPolarHBondContact CE-ND2 3.39Å; M204-N234 VanDerWaalsContact CE-OD1 3.23Å; M204-N234 WeakPolarHBondContact CE-OD1 3.47Å
205	D	93.4	Very high	94.7	Very high	106 Å²	106	56.2 Å²	56.2	57%	0.567	25%	0.252	S	S	*	.	H	α-helix	trans	-67.1	-34.6	-180	-63.8	-41.1	0	0	0	111.7	E203 R208 L209	E203-D205 PolarHBondContact O-N 3.34Å; D205-R208 WeakPolarHBondContact O-CB 3.35Å; D205-R208 PolarHBondContact O-N 3.09Å; D205-R208 IonicContact OD1-NH1 3.62Å; D205-R208 PolarHBondContact OD1-NH1 3.07Å; D205-L209 WeakPolarHBondContact O-CG 3.5Å; D205-L209 PolarHBondContact O-N 2.75Å
206	R	94	Very high	94.6	Very high	108 Å²	108	61.4 Å²	61.4	41%	0.408	28%	0.279	S	S	.	.	H	α-helix	trans	-69	-44.3	173.2	-64.8	-173.9	175	-160.3	-2.8	111.3	E198 E203 M204 R208 L209 V210	E198-R206 HydrophobicContact CB-CB 4.41Å; E198-R206 HydrophobicContact CG-CB 4Å; E203-R206 HydrophobicContact CB-CB 4.09Å; E203-R206 HydrophobicContact CB-CG 4.22Å; E203-R206 PolarHBondContact O-N 3.02Å; E203-R206 IonicContact OE2-NE 3.33Å; M204-R206 VanDerWaalsContact C-N 3.31Å; M204-R206 PolarHBondContact O-N 3.46Å; R206-R208 PolarHBondContact O-N 2.77Å; R206-L209 WeakPolarHBondContact O-CB 3.28Å; R206-L209 PolarHBondContact O-N 3.06Å; R206-L209 VanDerWaalsContact O-N 3.1Å; R206-V210 WeakPolarHBondContact O-CG2 3.32Å; R206-V210 PolarHBondContact O-N 3.28Å
207	A	95.2	Very high	94.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.7	-40.1	174.6	0	0	0	0	0	111.4	I195 E198 L199 E203 M204 V210 Y211 F230	I195-A207 HydrophobicContact CG2-CB 4.45Å; E198-A207 HydrophobicContact CB-CB 4.16Å; L199-A207 HydrophobicContact CD2-CB 3.82Å; L199-A207 HydrophobicContact CG-CB 4.29Å; E203-A207 PolarHBondContact O-N 3.47Å; M204-A207 WeakPolarHBondContact O-CB 3.49Å; M204-A207 PolarHBondContact O-N 3.26Å; A207-V210 PolarHBondContact O-N 3.09Å; A207-Y211 WeakPolarHBondContact O-CD2 3.42Å; A207-Y211 PolarHBondContact O-N 3.21Å; A207-F230 HydrophobicContact CB-CZ 4.05Å
208	R	94.3	Very high	94.4	Very high	52 Å²	52	61.6 Å²	61.6	20%	0.196	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-47.7	173.2	-171.6	-177.5	-65.7	126.3	-1.5	112.1	M204 D205 R206 V210 Y211 E212 Y227 E231	M204-R208 PolarHBondContact O-N 3.27Å; D205-R208 WeakPolarHBondContact O-CB 3.35Å; D205-R208 PolarHBondContact O-N 3.09Å; D205-R208 IonicContact OD1-NH1 3.62Å; D205-R208 PolarHBondContact OD1-NH1 3.07Å; R206-R208 PolarHBondContact O-N 2.77Å; R208-V210 PolarHBondContact O-N 3.14Å; R208-Y211 WeakPolarHBondContact O-CA 3.37Å; R208-Y211 WeakPolarHBondContact O-CB 3.16Å; R208-Y211 PolarHBondContact O-N 3.31Å; R208-Y211 VanDerWaalsContact O-N 3.07Å; R208-E212 WeakPolarHBondContact O-CG 3.25Å; R208-E212 PolarHBondContact O-N 2.83Å; R208-Y227 HydrophobicContact CG-CE2 4.11Å; R208-Y227 WeakPolarHBondContact CG-OH 3.36Å; R208-E231 WeakPolarHBondContact CG-OE1 3.48Å; R208-E231 IonicContact CZ-OE1 2.83Å; R208-E231 IonicContact CZ-OE2 3.16Å; R208-E231 IonicContact NE-OE1 3.36Å; R208-E231 PolarHBondContact NE-OE1 2.98Å; R208-E231 IonicContact NE-OE2 3.57Å; R208-E231 PolarHBondContact NE-OE2 3.11Å; R208-E231 IonicContact NH2-OE1 3.62Å; R208-E231 IonicContact NH2-OE2 2.75Å; R208-E231 PolarHBondContact NH2-OE2 2.9Å
209	L	95.1	Very high	94.1	Very high	115 Å²	115	64.2 Å²	64.2	60%	0.602	30%	0.296	S	S	*	.	H	α-helix	trans	-59.4	-35.8	175.7	-69.4	171.1	0	0	0	112.6	D205 R206 R213	D205-L209 WeakPolarHBondContact O-CG 3.5Å; D205-L209 PolarHBondContact O-N 2.75Å; R206-L209 WeakPolarHBondContact O-CB 3.28Å; R206-L209 PolarHBondContact O-N 3.06Å; R206-L209 VanDerWaalsContact O-N 3.1Å; L209-R213 WeakPolarHBondContact O-CG 3.42Å; L209-R213 PolarHBondContact O-N 3.27Å
210	V	96	Very high	94	Very high	3 Å²	3	66.3 Å²	66.3	2%	0.018	31%	0.305	C	S	.	.	H	α-helix	trans	-68.4	-41.6	174.1	-179.3	0	0	0	0	110.8	W191 Y194 I195 R206 A207 R208 R213 F214	W191-V210 HydrophobicContact CE3-CG1 3.84Å; W191-V210 HydrophobicContact CZ3-CG1 4.23Å; Y194-V210 HydrophobicContact CD1-CB 4.31Å; Y194-V210 HydrophobicContact CD1-CG1 3.61Å; Y194-V210 HydrophobicContact CD1-CG2 3.6Å; Y194-V210 HydrophobicContact CE1-CB 4.49Å; Y194-V210 HydrophobicContact CE1-CG1 4.21Å; Y194-V210 HydrophobicContact CE1-CG2 3.38Å; Y194-V210 HydrophobicContact CG-CG1 4.23Å; Y194-V210 HydrophobicContact CG-CG2 4.3Å; I195-V210 HydrophobicContact CD1-CG1 4.25Å; I195-V210 HydrophobicContact CG1-CB 4.02Å; I195-V210 HydrophobicContact CG1-CG1 3.58Å; R206-V210 WeakPolarHBondContact O-CG2 3.32Å; R206-V210 PolarHBondContact O-N 3.28Å; A207-V210 PolarHBondContact O-N 3.09Å; R208-V210 PolarHBondContact O-N 3.14Å; V210-R213 PolarHBondContact O-N 3.47Å; V210-F214 WeakPolarHBondContact O-CB 3.26Å; V210-F214 PolarHBondContact O-N 3.19Å
211	Y	95.8	Very high	93.9	Very high	19 Å²	19	61.5 Å²	61.5	8%	0.075	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-44.2	173.1	-89.8	-68.2	0	0	0	112.7	I195 A207 R208 R213 F214 V215 Y227 F230	I195-Y211 HydrophobicContact CB-CE2 4.42Å; I195-Y211 HydrophobicContact CD1-CD1 3.77Å; I195-Y211 HydrophobicContact CD1-CD2 4.01Å; I195-Y211 HydrophobicContact CD1-CE1 3.59Å; I195-Y211 HydrophobicContact CD1-CE2 3.86Å; I195-Y211 HydrophobicContact CD1-CG 3.96Å; I195-Y211 HydrophobicContact CG1-CD2 4.24Å; I195-Y211 HydrophobicContact CG1-CE2 4.15Å; I195-Y211 HydrophobicContact CG2-CD2 4.17Å; I195-Y211 HydrophobicContact CG2-CE2 3.42Å; I195-Y211 VanDerWaalsContact CG2-CE2 3.42Å; A207-Y211 WeakPolarHBondContact O-CD2 3.42Å; A207-Y211 PolarHBondContact O-N 3.21Å; R208-Y211 WeakPolarHBondContact O-CA 3.37Å; R208-Y211 WeakPolarHBondContact O-CB 3.16Å; R208-Y211 PolarHBondContact O-N 3.31Å; R208-Y211 VanDerWaalsContact O-N 3.07Å; Y211-R213 VanDerWaalsContact C-N 3.3Å; Y211-R213 PolarHBondContact O-N 3.3Å; Y211-F214 HydrophobicContact CD1-CD1 4.02Å; Y211-F214 HydrophobicContact CE1-CD1 4.37Å; Y211-F214 WeakPolarHBondContact O-CB 3.4Å; Y211-F214 PolarHBondContact O-N 3.28Å; Y211-F214 VanDerWaalsContact O-N 3.09Å; Y211-V215 WeakPolarHBondContact O-CG2 3.31Å; Y211-V215 PolarHBondContact O-N 3.02Å; Y211-Y227 AromaticContact CD1-CD2 3.89Å; Y211-Y227 HydrophobicContact CD1-CD2 3.89Å; Y211-Y227 HydrophobicContact CD1-CG 4Å; Y211-Y227 AromaticContact CD2-CD2 4Å; Y211-Y227 HydrophobicContact CD2-CD2 4Å; Y211-Y227 HydrophobicContact CD2-CE2 4.43Å; Y211-Y227 AromaticContact CG-CD2 3.51Å; Y211-Y227 HydrophobicContact CG-CD2 3.51Å; Y211-Y227 HydrophobicContact CG-CE2 4.09Å; Y211-Y227 HydrophobicContact CG-CG 4.03Å; Y211-F230 AromaticContact CD2-CD1 3.65Å; Y211-F230 HydrophobicContact CD2-CD1 3.65Å; Y211-F230 AromaticContact CD2-CE1 3.92Å; Y211-F230 HydrophobicContact CD2-CE1 3.92Å; Y211-F230 AromaticContact CD2-CG 4Å; Y211-F230 HydrophobicContact CD2-CG 4Å; Y211-F230 HydrophobicContact CD2-CZ 4.48Å; Y211-F230 HydrophobicContact CE2-CB 3.82Å; Y211-F230 AromaticContact CE2-CD1 3.56Å; Y211-F230 HydrophobicContact CE2-CD1 3.56Å; Y211-F230 AromaticContact CE2-CD2 3.72Å; Y211-F230 HydrophobicContact CE2-CD2 3.72Å; Y211-F230 HydrophobicContact CE2-CE1 4.01Å; Y211-F230 HydrophobicContact CE2-CE2 4.17Å; Y211-F230 AromaticContact CE2-CG 3.39Å; Y211-F230 HydrophobicContact CE2-CG 3.39Å; Y211-F230 HydrophobicContact CE2-CZ 4.29Å
212	E	94.4	Very high	93.9	Very high	44 Å²	44	61.4 Å²	61.4	21%	0.206	29%	0.292	C	S	.	.	H	α-helix	trans	-56.4	-43.7	176.3	-73.1	-65.3	161.5	0	0	111.8	R208 V215 L216 Y227 R246	R208-E212 WeakPolarHBondContact O-CG 3.25Å; R208-E212 PolarHBondContact O-N 2.83Å; E212-V215 WeakPolarHBondContact O-CG2 3.48Å; E212-L216 WeakPolarHBondContact O-CG 3.23Å; E212-Y227 HydrophobicContact CG-CE1 4.5Å; E212-Y227 WeakPolarHBondContact OE1-CE1 3.43Å; E212-Y227 PolarHBondContact OE1-OH 3.45Å; E212-R246 IonicContact OE1-CZ 2.76Å; E212-R246 IonicContact OE1-NH1 2.74Å; E212-R246 PolarHBondContact OE1-NH1 3.2Å; E212-R246 IonicContact OE2-CZ 3.48Å; E212-R246 IonicContact OE2-NH1 3.53Å; E212-R246 PolarHBondContact OE2-NH1 2.7Å; E212-R246 IonicContact OE2-NH2 2.78Å; E212-R246 PolarHBondContact OE2-NH2 3.34Å
213	R	95.5	Very high	94.1	Very high	83 Å²	83	52.9 Å²	52.9	31%	0.313	26%	0.255	S	S	.	.	H	α-helix	trans	-69.3	-41	174.2	-70.4	164.3	61.9	-170.2	6.8	111.7	E179 W191 L209 V210 Y211 V215 L216 V217	E179-R213 VanDerWaalsContact CD-NH1 3.25Å; E179-R213 IonicContact OE1-NH1 3.66Å; E179-R213 PolarHBondContact OE1-NH1 2.97Å; E179-R213 IonicContact OE2-CZ 2.91Å; E179-R213 IonicContact OE2-NH1 3.4Å; E179-R213 PolarHBondContact OE2-NH1 3.48Å; E179-R213 IonicContact OE2-NH2 2.63Å; E179-R213 PolarHBondContact OE2-NH2 3.1Å; W191-R213 HydrophobicContact CH2-CB 4.04Å; W191-R213 HydrophobicContact CZ3-CB 3.77Å; L209-R213 WeakPolarHBondContact O-CG 3.42Å; L209-R213 PolarHBondContact O-N 3.27Å; V210-R213 PolarHBondContact O-N 3.47Å; Y211-R213 VanDerWaalsContact C-N 3.3Å; Y211-R213 PolarHBondContact O-N 3.3Å; R213-V215 PolarHBondContact O-N 3.31Å; R213-L216 PolarHBondContact O-N 3Å; R213-V217 WeakPolarHBondContact O-CG2 3.5Å; R213-V217 PolarHBondContact O-N 3.4Å
214	F	96.5	Very high	94.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-44.2	-177	170.4	-125.3	0	0	0	112.4	E188 W191 H192 V210 Y211 L216 V217 H218 N223	E188-F214 HydrophobicContact CG-CE2 3.86Å; E188-F214 HydrophobicContact CG-CZ 3.49Å; E188-F214 VanDerWaalsContact CG-CZ 3.49Å; W191-F214 HydrophobicContact CB-CB 4.37Å; W191-F214 HydrophobicContact CB-CD2 3.4Å; W191-F214 VanDerWaalsContact CB-CD2 3.4Å; W191-F214 HydrophobicContact CB-CE2 3.81Å; W191-F214 HydrophobicContact CB-CG 3.93Å; W191-F214 AromaticContact CD1-CD2 3.72Å; W191-F214 HydrophobicContact CD2-CB 4.01Å; W191-F214 AromaticContact CD2-CD2 3.78Å; W191-F214 HydrophobicContact CD2-CD2 3.78Å; W191-F214 HydrophobicContact CD2-CG 4.3Å; W191-F214 HydrophobicContact CE3-CB 3.7Å; W191-F214 HydrophobicContact CE3-CD2 4.35Å; W191-F214 HydrophobicContact CE3-CG 4.43Å; W191-F214 HydrophobicContact CG-CB 4.32Å; W191-F214 AromaticContact CG-CD2 3.33Å; W191-F214 HydrophobicContact CG-CD2 3.33Å; W191-F214 AromaticContact CG-CE2 3.95Å; W191-F214 HydrophobicContact CG-CE2 3.95Å; W191-F214 HydrophobicContact CG-CG 4.1Å; W191-F214 HydrophobicContact CZ3-CB 4.32Å; H192-F214 AromaticContact CE1-CE1 3.9Å; H192-F214 AromaticContact NE2-CZ 3.86Å; V210-F214 WeakPolarHBondContact O-CB 3.26Å; V210-F214 PolarHBondContact O-N 3.19Å; Y211-F214 HydrophobicContact CD1-CD1 4.02Å; Y211-F214 HydrophobicContact CE1-CD1 4.37Å; Y211-F214 WeakPolarHBondContact O-CB 3.4Å; Y211-F214 PolarHBondContact O-N 3.28Å; Y211-F214 VanDerWaalsContact O-N 3.09Å; F214-L216 VanDerWaalsContact C-N 3.28Å; F214-L216 PolarHBondContact O-N 3.34Å; F214-V217 PolarHBondContact O-N 2.85Å; F214-H218 HydrophobicContact CD2-CB 4.29Å; F214-H218 AromaticContact CD2-CD2 3.87Å; F214-H218 HydrophobicContact CE2-CB 3.91Å; F214-H218 AromaticContact CE2-CD2 3.74Å; F214-H218 PolarHBondContact O-N 3.5Å; F214-N223 HydrophobicContact CD1-CB 4.39Å; F214-N223 HydrophobicContact CE1-CB 3.61Å; F214-N223 HydrophobicContact CZ-CB 3.79Å; F214-N223 WeakPolarHBondContact CZ-OD1 3.32Å
215	V	94.4	Very high	94.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69.1	-26.4	179.2	-62.8	0	0	0	0	113.1	Y211 E212 R213 H218 P219 W224 Y227	Y211-V215 WeakPolarHBondContact O-CG2 3.31Å; Y211-V215 PolarHBondContact O-N 3.02Å; E212-V215 WeakPolarHBondContact O-CG2 3.48Å; R213-V215 PolarHBondContact O-N 3.31Å; V215-H218 CarbonylContact O-C 3.6Å; V215-P219 WeakPolarHBondContact O-CA 3.5Å; V215-W224 HydrophobicContact CB-CD2 3.99Å; V215-W224 HydrophobicContact CB-CE3 4.22Å; V215-W224 HydrophobicContact CB-CH2 4.14Å; V215-W224 HydrophobicContact CB-CZ2 3.88Å; V215-W224 HydrophobicContact CB-CZ3 4.3Å; V215-W224 HydrophobicContact CG1-CD2 4.11Å; V215-W224 HydrophobicContact CG1-CE3 4.23Å; V215-W224 HydrophobicContact CG1-CG 4.45Å; V215-W224 HydrophobicContact CG2-CD2 4.49Å; V215-W224 HydrophobicContact CG2-CE3 4.29Å; V215-W224 HydrophobicContact CG2-CH2 3.7Å; V215-W224 HydrophobicContact CG2-CZ2 3.9Å; V215-W224 HydrophobicContact CG2-CZ3 3.91Å; V215-Y227 HydrophobicContact CG1-CD1 4.08Å
216	L	93.2	Very high	94.4	Very high	109 Å²	109	45.6 Å²	45.6	57%	0.571	22%	0.215	S	C	*	.	H	α-helix	trans	-76.8	-36.7	173.9	-66.4	175.3	0	0	0	112.3	E212 R213 F214	E212-L216 WeakPolarHBondContact O-CG 3.23Å; R213-L216 PolarHBondContact O-N 3Å; F214-L216 VanDerWaalsContact C-N 3.28Å; F214-L216 PolarHBondContact O-N 3.34Å
217	V	94.2	Very high	94.5	Very high	38 Å²	38	40.7 Å²	40.7	23%	0.23	20%	0.197	C	C	.	.	H	α-helix	trans	-76.9	-41.2	178.7	174.1	0	0	0	0	111.4	Q185 W191 R213 F214 P219	Q185-V217 HydrophobicContact CB-CG1 3.62Å; Q185-V217 HydrophobicContact CG-CG1 3.69Å; Q185-V217 HydrophobicContact CG-CG2 4.19Å; W191-V217 HydrophobicContact CH2-CG2 4.08Å; W191-V217 HydrophobicContact CZ2-CB 4.01Å; W191-V217 HydrophobicContact CZ2-CG1 4.01Å; W191-V217 HydrophobicContact CZ2-CG2 3.82Å; R213-V217 WeakPolarHBondContact O-CG2 3.5Å; R213-V217 PolarHBondContact O-N 3.4Å; F214-V217 PolarHBondContact O-N 2.85Å; V217-P219 VanDerWaalsContact C-CD 3.46Å; V217-P219 VanDerWaalsContact O-CD 3.28Å; V217-P219 WeakPolarHBondContact O-CD 3.25Å
218	H	93.8	Very high	94.4	Very high	44 Å²	44	40.7 Å²	40.7	20%	0.204	20%	0.197	C	C	.	.	S	Bend	trans	-118.9	79.2	178.9	-67.4	-71.3	0	0	0	110.3	P186 W191 F214 V215 E220 N223	P186-H218 PolarHBondContact O-CE1 3.5Å; P186-H218 PolarHBondContact O-NE2 2.94Å; W191-H218 AromaticContact CD1-CD2 3.66Å; W191-H218 AromaticContact CD1-NE2 3.76Å; W191-H218 AromaticContact NE1-CD2 3.54Å; W191-H218 AromaticContact NE1-NE2 3.5Å; F214-H218 HydrophobicContact CD2-CB 4.29Å; F214-H218 AromaticContact CD2-CD2 3.87Å; F214-H218 HydrophobicContact CE2-CB 3.91Å; F214-H218 AromaticContact CE2-CD2 3.74Å; F214-H218 PolarHBondContact O-N 3.5Å; V215-H218 CarbonylContact O-C 3.6Å; H218-E220 PolarHBondContact O-N 2.86Å; H218-N223 VanDerWaalsContact CB-ND2 3.3Å; H218-N223 WeakPolarHBondContact CB-ND2 3.45Å; H218-N223 PolarHBondContact O-ND2 3.34Å
219	P	91	Very high	94.4	Very high	55 Å²	55	41.2 Å²	41.2	36%	0.357	20%	0.2	S	C	.	.			trans	-76.5	55.2	-174.7	33	-37.4	0	0	0	112.9	V215 V217 F250 F251	V215-P219 WeakPolarHBondContact O-CA 3.5Å; V217-P219 VanDerWaalsContact C-CD 3.46Å; V217-P219 VanDerWaalsContact O-CD 3.28Å; V217-P219 WeakPolarHBondContact O-CD 3.25Å; P219-F250 HydrophobicContact CB-CE1 3.47Å; P219-F250 VanDerWaalsContact CB-CE1 3.47Å; P219-F250 HydrophobicContact CB-CZ 3.56Å; P219-F250 HydrophobicContact CG-CZ 4.44Å; P219-F251 WeakPolarHBondContact O-CE1 3.18Å; P219-F251 WeakPolarHBondContact O-CZ 3.25Å
220	E	91.8	Very high	94.4	Very high	97 Å²	97	36.3 Å²	36.3	45%	0.453	17%	0.174	S	C	.	.			trans	-98.9	142.3	174.5	-62.7	-175.4	170.1	0	0	110.5	H218 K222 N223 W224	H218-E220 PolarHBondContact O-N 2.86Å; E220-K222 PolarHBondContact O-N 3Å; E220-K222 VanDerWaalsContact O-N 3.11Å; E220-N223 WeakPolarHBondContact O-CB 3.36Å; E220-N223 PolarHBondContact O-N 2.95Å; E220-W224 VanDerWaalsContact O-CD1 3.29Å; E220-W224 PolarHBondContact O-N 2.74Å
221	P	91.8	Very high	94.3	Very high	26 Å²	26	36.2 Å²	36.2	17%	0.169	17%	0.174	C	C	.	.	H	α-helix	trans	-59.1	-31.4	-179.2	23.4	-34.3	0	0	0	112.1	N223 W224 I225 F251 Q257 L260	P221-N223 VanDerWaalsContact C-N 3.27Å; P221-N223 PolarHBondContact O-N 3.41Å; P221-W224 PolarHBondContact O-N 3.06Å; P221-I225 WeakPolarHBondContact O-CB 3.34Å; P221-I225 WeakPolarHBondContact O-CD1 3.44Å; P221-I225 WeakPolarHBondContact O-CG1 3.37Å; P221-I225 PolarHBondContact O-N 3.18Å; P221-F251 HydrophobicContact CB-CE2 4.18Å; P221-F251 HydrophobicContact CB-CZ 4.18Å; P221-Q257 HydrophobicContact CB-CB 3.97Å; P221-Q257 HydrophobicContact CB-CG 4.05Å; P221-Q257 HydrophobicContact CG-CB 4.27Å; P221-Q257 HydrophobicContact CG-CG 4.03Å; P221-L260 HydrophobicContact CB-CB 4.23Å
222	K	94.8	Very high	94.2	Very high	83 Å²	83	37.3 Å²	37.3	36%	0.361	18%	0.18	S	C	.	.	H	α-helix	trans	-58	-37.9	174.1	-178	-170	172.6	-157.1	0	112.4	E188 E220 K226	E188-K222 IonicContact OE1-NZ 3Å; E188-K222 IonicContact OE2-NZ 2.9Å; E188-K222 PolarHBondContact OE2-NZ 3.12Å; E220-K222 PolarHBondContact O-N 3Å; E220-K222 VanDerWaalsContact O-N 3.11Å; K222-K226 WeakPolarHBondContact O-CG 3.34Å; K222-K226 PolarHBondContact O-N 3.05Å
223	N	95.3	Very high	94.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-75.6	-40.9	-177	-63.3	-23.3	0	0	0	111.1	E188 F214 H218 E220 P221 I225 K226 Y227	E188-N223 PolarHBondContact OE1-OD1 2.89Å; F214-N223 HydrophobicContact CD1-CB 4.39Å; F214-N223 HydrophobicContact CE1-CB 3.61Å; F214-N223 HydrophobicContact CZ-CB 3.79Å; F214-N223 WeakPolarHBondContact CZ-OD1 3.32Å; H218-N223 VanDerWaalsContact CB-ND2 3.3Å; H218-N223 WeakPolarHBondContact CB-ND2 3.45Å; H218-N223 PolarHBondContact O-ND2 3.34Å; E220-N223 WeakPolarHBondContact O-CB 3.36Å; E220-N223 PolarHBondContact O-N 2.95Å; P221-N223 VanDerWaalsContact C-N 3.27Å; P221-N223 PolarHBondContact O-N 3.41Å; N223-I225 PolarHBondContact O-N 3.38Å; N223-K226 WeakPolarHBondContact O-CB 3.42Å; N223-K226 PolarHBondContact O-N 3.29Å; N223-Y227 PolarHBondContact O-N 2.92Å
224	W	95.4	Very high	93.9	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.015	21%	0.209	C	C	.	.	H	α-helix	trans	-58.4	-45.7	170	-69.7	100	0	0	0	112	V215 E220 P221 K226 Y227 S228 V243 R246 A247 F250 F251 L260	V215-W224 HydrophobicContact CB-CD2 3.99Å; V215-W224 HydrophobicContact CB-CE3 4.22Å; V215-W224 HydrophobicContact CB-CH2 4.14Å; V215-W224 HydrophobicContact CB-CZ2 3.88Å; V215-W224 HydrophobicContact CB-CZ3 4.3Å; V215-W224 HydrophobicContact CG1-CD2 4.11Å; V215-W224 HydrophobicContact CG1-CE3 4.23Å; V215-W224 HydrophobicContact CG1-CG 4.45Å; V215-W224 HydrophobicContact CG2-CD2 4.49Å; V215-W224 HydrophobicContact CG2-CE3 4.29Å; V215-W224 HydrophobicContact CG2-CH2 3.7Å; V215-W224 HydrophobicContact CG2-CZ2 3.9Å; V215-W224 HydrophobicContact CG2-CZ3 3.91Å; E220-W224 VanDerWaalsContact O-CD1 3.29Å; E220-W224 PolarHBondContact O-N 2.74Å; P221-W224 PolarHBondContact O-N 3.06Å; W224-K226 VanDerWaalsContact C-N 3.3Å; W224-K226 PolarHBondContact O-N 2.8Å; W224-Y227 PolarHBondContact O-N 3.24Å; W224-Y227 VanDerWaalsContact O-N 3.16Å; W224-S228 PolarHBondContact O-N 2.97Å; W224-S228 PolarHBondContact O-OG 3.12Å; W224-V243 HydrophobicContact CE3-CG1 4.07Å; W224-R246 HydrophobicContact CZ3-CB 4.19Å; W224-A247 HydrophobicContact CB-CB 3.89Å; W224-A247 HydrophobicContact CD2-CB 3.63Å; W224-A247 HydrophobicContact CE3-CB 3.57Å; W224-A247 HydrophobicContact CG-CB 3.79Å; W224-A247 HydrophobicContact CZ3-CB 4.28Å; W224-F250 HydrophobicContact CZ2-CB 4.16Å; W224-F250 HydrophobicContact CZ2-CD1 4.29Å; W224-F250 HydrophobicContact CZ2-CD2 4.37Å; W224-F250 AromaticContact CZ2-CG 4Å; W224-F250 HydrophobicContact CZ2-CG 4Å; W224-F251 AromaticContact CD1-CE2 3.6Å; W224-F251 AromaticContact CD1-CZ 3.89Å; W224-F251 HydrophobicContact CG-CE2 4.39Å; W224-F251 AromaticContact NE1-CE2 3.87Å; W224-L260 HydrophobicContact CB-CD1 4.23Å
225	I	95.1	Very high	93.6	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.036	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-38.7	175.6	-70.8	163.9	0	0	0	111.6	P221 N223 S228 K229 R259 L260 D263	P221-I225 WeakPolarHBondContact O-CB 3.34Å; P221-I225 WeakPolarHBondContact O-CD1 3.44Å; P221-I225 WeakPolarHBondContact O-CG1 3.37Å; P221-I225 PolarHBondContact O-N 3.18Å; N223-I225 PolarHBondContact O-N 3.38Å; I225-S228 PolarHBondContact O-OG 3.42Å; I225-S228 VanDerWaalsContact O-OG 3.08Å; I225-K229 HydrophobicContact CG2-CD 3.87Å; I225-K229 VanDerWaalsContact CG2-NZ 3.25Å; I225-K229 VanDerWaalsContact O-CB 3.28Å; I225-K229 WeakPolarHBondContact O-CB 3.43Å; I225-K229 VanDerWaalsContact O-CG 3.25Å; I225-K229 WeakPolarHBondContact O-CG 3.45Å; I225-K229 PolarHBondContact O-N 3.24Å; I225-R259 HydrophobicContact CD1-CG 3.92Å; I225-L260 HydrophobicContact CG1-CD1 4.03Å; I225-D263 HydrophobicContact CD1-CB 4.27Å; I225-D263 HydrophobicContact CG1-CB 4.18Å; I225-D263 WeakPolarHBondContact CG2-OD2 3.48Å
226	K	94.8	Very high	93.5	Very high	70 Å²	70	51.1 Å²	51.1	30%	0.304	25%	0.253	S	S	.	.	H	α-helix	trans	-67.3	-39.6	175.9	-78.3	179.9	174.8	-172.2	0	111.5	E188 H192 K222 N223 W224 F230	E188-K226 IonicContact OE1-NZ 3.22Å; E188-K226 PolarHBondContact OE1-NZ 3.44Å; H192-K226 PolarHBondContact NE2-NZ 3.43Å; K222-K226 WeakPolarHBondContact O-CG 3.34Å; K222-K226 PolarHBondContact O-N 3.05Å; N223-K226 WeakPolarHBondContact O-CB 3.42Å; N223-K226 PolarHBondContact O-N 3.29Å; W224-K226 VanDerWaalsContact C-N 3.3Å; W224-K226 PolarHBondContact O-N 2.8Å; K226-F230 WeakPolarHBondContact O-CB 3.34Å; K226-F230 PolarHBondContact O-N 3.19Å
227	Y	95.6	Very high	93.5	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-66.4	-45.9	177.5	-179	-154.7	0	0	0	111.7	R208 Y211 E212 V215 N223 W224 K229 F230 E231 V243	R208-Y227 HydrophobicContact CG-CE2 4.11Å; R208-Y227 WeakPolarHBondContact CG-OH 3.36Å; Y211-Y227 AromaticContact CD1-CD2 3.89Å; Y211-Y227 HydrophobicContact CD1-CD2 3.89Å; Y211-Y227 HydrophobicContact CD1-CG 4Å; Y211-Y227 AromaticContact CD2-CD2 4Å; Y211-Y227 HydrophobicContact CD2-CD2 4Å; Y211-Y227 HydrophobicContact CD2-CE2 4.43Å; Y211-Y227 AromaticContact CG-CD2 3.51Å; Y211-Y227 HydrophobicContact CG-CD2 3.51Å; Y211-Y227 HydrophobicContact CG-CE2 4.09Å; Y211-Y227 HydrophobicContact CG-CG 4.03Å; E212-Y227 HydrophobicContact CG-CE1 4.5Å; E212-Y227 WeakPolarHBondContact OE1-CE1 3.43Å; E212-Y227 PolarHBondContact OE1-OH 3.45Å; V215-Y227 HydrophobicContact CG1-CD1 4.08Å; N223-Y227 PolarHBondContact O-N 2.92Å; W224-Y227 PolarHBondContact O-N 3.24Å; W224-Y227 VanDerWaalsContact O-N 3.16Å; Y227-K229 PolarHBondContact O-N 3.05Å; Y227-F230 HydrophobicContact CD2-CD1 4.18Å; Y227-F230 HydrophobicContact CE2-CD1 4.34Å; Y227-F230 WeakPolarHBondContact O-CA 2.99Å; Y227-F230 VanDerWaalsContact O-CB 3.31Å; Y227-F230 WeakPolarHBondContact O-CB 3.37Å; Y227-F230 PolarHBondContact O-N 2.96Å; Y227-F230 VanDerWaalsContact O-N 3.09Å; Y227-E231 HydrophobicContact CD2-CG 4.27Å; Y227-E231 HydrophobicContact CE2-CG 3.84Å; Y227-E231 PolarHBondContact O-N 3.35Å; Y227-V243 HydrophobicContact CD1-CB 4.22Å; Y227-V243 HydrophobicContact CD1-CG1 3.39Å; Y227-V243 HydrophobicContact CD1-CG2 3.67Å; Y227-V243 HydrophobicContact CE1-CB 4.27Å; Y227-V243 HydrophobicContact CE1-CG1 3.91Å; Y227-V243 HydrophobicContact CE1-CG2 3.29Å; Y227-V243 HydrophobicContact CE2-CG2 4.24Å; Y227-V243 HydrophobicContact CG-CG1 3.92Å; Y227-V243 HydrophobicContact CG-CG2 4.3Å
228	S	94.6	Very high	93.4	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-40.5	176.6	64.2	0	0	0	0	112.2	W224 I225 F230 E231 E232 F244	W224-S228 PolarHBondContact O-N 2.97Å; W224-S228 PolarHBondContact O-OG 3.12Å; I225-S228 PolarHBondContact O-OG 3.42Å; I225-S228 VanDerWaalsContact O-OG 3.08Å; S228-F230 VanDerWaalsContact C-N 3.26Å; S228-F230 PolarHBondContact O-N 3.27Å; S228-E231 PolarHBondContact O-N 3.41Å; S228-E232 WeakPolarHBondContact O-CB 3.45Å; S228-E232 PolarHBondContact O-N 2.81Å; S228-F244 VanDerWaalsContact CB-CE2 3.4Å; S228-F244 VanDerWaalsContact CB-CZ 3.5Å; S228-F244 VanDerWaalsContact OG-CE1 3.3Å; S228-F244 WeakPolarHBondContact OG-CE1 3.17Å; S228-F244 WeakPolarHBondContact OG-CE2 3.08Å; S228-F244 WeakPolarHBondContact OG-CZ 3.16Å
229	K	94.1	Very high	93.4	Very high	63 Å²	63	52.8 Å²	52.8	27%	0.274	27%	0.265	S	S	.	.	H	α-helix	trans	-63.9	-30	172.5	-76.2	172.9	179.9	157.7	0	112.8	I225 Y227 R233 D263	I225-K229 HydrophobicContact CG2-CD 3.87Å; I225-K229 VanDerWaalsContact CG2-NZ 3.25Å; I225-K229 VanDerWaalsContact O-CB 3.28Å; I225-K229 WeakPolarHBondContact O-CB 3.43Å; I225-K229 VanDerWaalsContact O-CG 3.25Å; I225-K229 WeakPolarHBondContact O-CG 3.45Å; I225-K229 PolarHBondContact O-N 3.24Å; Y227-K229 PolarHBondContact O-N 3.05Å; K229-R233 WeakPolarHBondContact O-CB 3.38Å; K229-R233 WeakPolarHBondContact O-CG 3.49Å; K229-R233 PolarHBondContact O-N 2.97Å; K229-D263 IonicContact NZ-OD1 3.1Å; K229-D263 IonicContact NZ-OD2 2.81Å; K229-D263 PolarHBondContact NZ-OD2 3.38Å
230	F	94.3	Very high	93.6	Very high	13 Å²	13	50.1 Å²	50.1	6%	0.057	25%	0.248	C	C	.	.	H	α-helix	trans	-67.2	-50	173.2	164.5	-99.6	0	0	0	111	L199 M204 A207 Y211 K226 Y227 S228 E232 R233 N234	L199-F230 HydrophobicContact CD1-CE2 4.09Å; L199-F230 HydrophobicContact CD2-CE2 3.58Å; L199-F230 HydrophobicContact CD2-CZ 4.04Å; L199-F230 HydrophobicContact CG-CE2 4.41Å; M204-F230 HydrophobicContact CE-CE2 3.79Å; M204-F230 HydrophobicContact CE-CZ 3.72Å; A207-F230 HydrophobicContact CB-CZ 4.05Å; Y211-F230 AromaticContact CD2-CD1 3.65Å; Y211-F230 HydrophobicContact CD2-CD1 3.65Å; Y211-F230 AromaticContact CD2-CE1 3.92Å; Y211-F230 HydrophobicContact CD2-CE1 3.92Å; Y211-F230 AromaticContact CD2-CG 4Å; Y211-F230 HydrophobicContact CD2-CG 4Å; Y211-F230 HydrophobicContact CD2-CZ 4.48Å; Y211-F230 HydrophobicContact CE2-CB 3.82Å; Y211-F230 AromaticContact CE2-CD1 3.56Å; Y211-F230 HydrophobicContact CE2-CD1 3.56Å; Y211-F230 AromaticContact CE2-CD2 3.72Å; Y211-F230 HydrophobicContact CE2-CD2 3.72Å; Y211-F230 HydrophobicContact CE2-CE1 4.01Å; Y211-F230 HydrophobicContact CE2-CE2 4.17Å; Y211-F230 AromaticContact CE2-CG 3.39Å; Y211-F230 HydrophobicContact CE2-CG 3.39Å; Y211-F230 HydrophobicContact CE2-CZ 4.29Å; K226-F230 WeakPolarHBondContact O-CB 3.34Å; K226-F230 PolarHBondContact O-N 3.19Å; Y227-F230 HydrophobicContact CD2-CD1 4.18Å; Y227-F230 HydrophobicContact CE2-CD1 4.34Å; Y227-F230 WeakPolarHBondContact O-CA 2.99Å; Y227-F230 VanDerWaalsContact O-CB 3.31Å; Y227-F230 WeakPolarHBondContact O-CB 3.37Å; Y227-F230 PolarHBondContact O-N 2.96Å; Y227-F230 VanDerWaalsContact O-N 3.09Å; S228-F230 VanDerWaalsContact C-N 3.26Å; S228-F230 PolarHBondContact O-N 3.27Å; F230-E232 VanDerWaalsContact C-N 3.31Å; F230-E232 PolarHBondContact O-N 2.88Å; F230-R233 PolarHBondContact O-N 3.23Å; F230-N234 WeakPolarHBondContact CD2-ND2 3.27Å; F230-N234 WeakPolarHBondContact CE2-ND2 3.36Å; F230-N234 VanDerWaalsContact CZ-ND2 3.34Å; F230-N234 WeakPolarHBondContact CZ-ND2 3.43Å; F230-N234 PolarHBondContact O-N 3.45Å; F230-N234 PolarHBondContact O-ND2 2.83Å
231	E	94.8	Very high	93.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-40.2	175.8	-68.2	-63.3	147.2	0	0	111.7	R208 Y227 S228 N234 G235 F236 S239 A240	R208-E231 WeakPolarHBondContact CG-OE1 3.48Å; R208-E231 IonicContact CZ-OE1 2.83Å; R208-E231 IonicContact CZ-OE2 3.16Å; R208-E231 IonicContact NE-OE1 3.36Å; R208-E231 PolarHBondContact NE-OE1 2.98Å; R208-E231 IonicContact NE-OE2 3.57Å; R208-E231 PolarHBondContact NE-OE2 3.11Å; R208-E231 IonicContact NH2-OE1 3.62Å; R208-E231 IonicContact NH2-OE2 2.75Å; R208-E231 PolarHBondContact NH2-OE2 2.9Å; Y227-E231 HydrophobicContact CD2-CG 4.27Å; Y227-E231 HydrophobicContact CE2-CG 3.84Å; Y227-E231 PolarHBondContact O-N 3.35Å; S228-E231 PolarHBondContact O-N 3.41Å; E231-N234 PolarHBondContact O-N 2.96Å; E231-G235 PolarHBondContact O-N 2.84Å; E231-F236 HydrophobicContact CB-CB 4.4Å; E231-F236 PolarHBondContact O-N 2.93Å; E231-F236 WeakPolarHBondContact OE2-CB 3.3Å; E231-S239 WeakPolarHBondContact OE2-CB 3.46Å; E231-A240 HydrophobicContact CB-CB 3.77Å
232	E	93.3	Very high	93.9	Very high	43 Å²	43	50.5 Å²	50.5	20%	0.201	25%	0.248	C	C	.	.	H	α-helix	trans	-61.6	-47	177.5	-174.3	-179.5	-177.3	0	0	112.3	S228 F230 N234 G235 A240 F267 R270	S228-E232 WeakPolarHBondContact O-CB 3.45Å; S228-E232 PolarHBondContact O-N 2.81Å; F230-E232 VanDerWaalsContact C-N 3.31Å; F230-E232 PolarHBondContact O-N 2.88Å; E232-N234 PolarHBondContact O-N 3.29Å; E232-G235 PolarHBondContact O-N 3.42Å; E232-A240 HydrophobicContact CB-CB 4.42Å; E232-F267 HydrophobicContact CG-CD2 4.43Å; E232-F267 HydrophobicContact CG-CE2 4.38Å; E232-R270 IonicContact OE1-CZ 3.98Å; E232-R270 IonicContact OE1-NE 3.73Å; E232-R270 PolarHBondContact OE1-NE 3.36Å; E232-R270 IonicContact OE1-NH2 2.73Å; E232-R270 PolarHBondContact OE1-NH2 3.05Å; E232-R270 IonicContact OE2-CZ 2.67Å; E232-R270 IonicContact OE2-NE 3.8Å; E232-R270 IonicContact OE2-NH2 2.96Å; E232-R270 PolarHBondContact OE2-NH2 3.06Å
233	R	92.4	Very high	93.9	Very high	210 Å²	210	46.8 Å²	46.8	79%	0.792	23%	0.232	S	C	*	.	H	α-helix	trans	-62.5	-28	179	-76.9	171.6	-171.8	168	2.2	113.3	K229 F230 G235	K229-R233 WeakPolarHBondContact O-CB 3.38Å; K229-R233 WeakPolarHBondContact O-CG 3.49Å; K229-R233 PolarHBondContact O-N 2.97Å; F230-R233 PolarHBondContact O-N 3.23Å; R233-G235 VanDerWaalsContact C-N 3.34Å
234	N	90.4	Very high	93.8	Very high	65 Å²	65	46.8 Å²	46.8	35%	0.348	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	2.2	178.9	-63.3	-45.9	0	0	0	113	M204 F230 E231 E232 F236	M204-N234 HydrophobicContact CE-CB 4.21Å; M204-N234 WeakPolarHBondContact CE-ND2 3.39Å; M204-N234 VanDerWaalsContact CE-OD1 3.23Å; M204-N234 WeakPolarHBondContact CE-OD1 3.47Å; F230-N234 WeakPolarHBondContact CD2-ND2 3.27Å; F230-N234 WeakPolarHBondContact CE2-ND2 3.36Å; F230-N234 VanDerWaalsContact CZ-ND2 3.34Å; F230-N234 WeakPolarHBondContact CZ-ND2 3.43Å; F230-N234 PolarHBondContact O-N 3.45Å; F230-N234 PolarHBondContact O-ND2 2.83Å; E231-N234 PolarHBondContact O-N 2.96Å; E232-N234 PolarHBondContact O-N 3.29Å; N234-F236 VanDerWaalsContact C-N 3.34Å; N234-F236 HydrophobicContact CB-CD2 3.8Å; N234-F236 HydrophobicContact CB-CE2 4.08Å
235	G	89.7	Confident	93.8	Very high	50 Å²	50	50.9 Å²	50.9	52%	0.515	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	4.4	178.2	0	0	0	0	0	115	E231 E232 R233 I237	E231-G235 PolarHBondContact O-N 2.84Å; E232-G235 PolarHBondContact O-N 3.42Å; R233-G235 VanDerWaalsContact C-N 3.34Å; G235-I237 VanDerWaalsContact C-N 3.28Å; G235-I237 PolarHBondContact O-N 2.92Å
236	F	92.9	Very high	93.7	Very high	91 Å²	91	54.1 Å²	54.1	40%	0.399	26%	0.263	S	S	.	.			trans	-84.4	68.8	177.6	-64.1	-67.9	0	0	0	111.1	E231 N234 N238 S239 A240	E231-F236 HydrophobicContact CB-CB 4.4Å; E231-F236 PolarHBondContact O-N 2.93Å; E231-F236 WeakPolarHBondContact OE2-CB 3.3Å; N234-F236 VanDerWaalsContact C-N 3.34Å; N234-F236 HydrophobicContact CB-CD2 3.8Å; N234-F236 HydrophobicContact CB-CE2 4.08Å; F236-N238 PolarHBondContact O-N 3.24Å; F236-S239 PolarHBondContact O-N 2.89Å; F236-A240 PolarHBondContact O-N 3.35Å
237	I	92.9	Very high	93.7	Very high	61 Å²	61	50.8 Å²	50.8	31%	0.313	25%	0.249	S	C	.	.	H	α-helix	trans	-60.4	-44.2	-174.6	-63.4	158.1	0	0	0	111.9	G235 S239 A240 R241 F267 Q271	G235-I237 VanDerWaalsContact C-N 3.28Å; G235-I237 PolarHBondContact O-N 2.92Å; I237-S239 VanDerWaalsContact C-N 3.33Å; I237-S239 PolarHBondContact O-N 3.38Å; I237-A240 WeakPolarHBondContact O-CB 3.33Å; I237-A240 PolarHBondContact O-N 2.87Å; I237-R241 PolarHBondContact O-N 2.72Å; I237-F267 HydrophobicContact CG2-CE2 4.48Å; I237-F267 HydrophobicContact CG2-CZ 3.98Å; I237-Q271 VanDerWaalsContact CG2-CD 3.44Å; I237-Q271 HydrophobicContact CG2-CG 3.89Å; I237-Q271 VanDerWaalsContact CG2-OE1 3.3Å
238	N	93.5	Very high	93.5	Very high	126 Å²	126	52 Å²	52	67%	0.674	26%	0.257	S	S	*	.	H	α-helix	trans	-64.2	-39.3	179.6	-68.6	-22	0	0	0	111.8	F236 R241 L242	F236-N238 PolarHBondContact O-N 3.24Å; N238-R241 PolarHBondContact O-N 3.27Å; N238-L242 PolarHBondContact O-N 3.49Å
239	S	92.6	Very high	93.4	Very high	39 Å²	39	59.5 Å²	59.5	27%	0.273	29%	0.292	S	S	.	.	H	α-helix	trans	-65.4	-44.2	174.2	-53	0	0	0	0	111	E231 F236 I237 R241 L242 V243	E231-S239 WeakPolarHBondContact OE2-CB 3.46Å; F236-S239 PolarHBondContact O-N 2.89Å; I237-S239 VanDerWaalsContact C-N 3.33Å; I237-S239 PolarHBondContact O-N 3.38Å; S239-R241 VanDerWaalsContact C-N 3.3Å; S239-R241 PolarHBondContact O-N 2.97Å; S239-L242 PolarHBondContact O-N 3.42Å; S239-V243 VanDerWaalsContact O-CG2 3.29Å; S239-V243 WeakPolarHBondContact O-CG2 3.3Å; S239-V243 PolarHBondContact O-N 2.99Å
240	A	94.8	Very high	93.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-41.8	177.1	0	0	0	0	0	112	E231 E232 F236 I237 V243 F244 F267	E231-A240 HydrophobicContact CB-CB 3.77Å; E232-A240 HydrophobicContact CB-CB 4.42Å; F236-A240 PolarHBondContact O-N 3.35Å; I237-A240 WeakPolarHBondContact O-CB 3.33Å; I237-A240 PolarHBondContact O-N 2.87Å; A240-V243 PolarHBondContact O-N 3.06Å; A240-F244 WeakPolarHBondContact O-CD2 3.34Å; A240-F244 PolarHBondContact O-N 2.83Å; A240-F244 VanDerWaalsContact O-N 3.09Å; A240-F267 HydrophobicContact CB-CE2 3.74Å; A240-F267 HydrophobicContact CB-CZ 3.88Å
241	R	95.1	Very high	93.1	Very high	36 Å²	36	62 Å²	62	14%	0.136	30%	0.303	C	S	.	.	H	α-helix	trans	-62.8	-47.8	174.5	-173.6	178	-71.1	126.8	-3.6	111.8	I237 N238 S239 V243 F244 E245 F267 E268 R276	I237-R241 PolarHBondContact O-N 2.72Å; N238-R241 PolarHBondContact O-N 3.27Å; S239-R241 VanDerWaalsContact C-N 3.3Å; S239-R241 PolarHBondContact O-N 2.97Å; R241-V243 PolarHBondContact O-N 3.06Å; R241-F244 WeakPolarHBondContact O-CB 3.43Å; R241-F244 PolarHBondContact O-N 3.4Å; R241-E245 HydrophobicContact CG-CG 4.47Å; R241-E245 WeakPolarHBondContact O-CG 3.47Å; R241-E245 PolarHBondContact O-N 3.04Å; R241-F267 HydrophobicContact CB-CE1 3.86Å; R241-F267 HydrophobicContact CB-CZ 4.18Å; R241-F267 HydrophobicContact CG-CE1 4.36Å; R241-E268 IonicContact CZ-OE1 2.71Å; R241-E268 IonicContact CZ-OE2 2.81Å; R241-E268 IonicContact NE-OE1 3.36Å; R241-E268 PolarHBondContact NE-OE1 3.29Å; R241-E268 IonicContact NE-OE2 3.96Å; R241-E268 IonicContact NH2-OE1 2.82Å; R241-E268 IonicContact NH2-OE2 3.2Å; R241-E268 PolarHBondContact NH2-OE2 2.95Å; R241-R276 VanDerWaalsContact CD-NH1 3.35Å
242	L	95	Very high	92.7	Very high	95 Å²	95	63.3 Å²	63.3	50%	0.497	32%	0.316	S	S	.	.	H	α-helix	trans	-59.3	-36.8	176.9	-176.4	66.5	0	0	0	111.9	N238 S239 E245 R246	N238-L242 PolarHBondContact O-N 3.49Å; S239-L242 PolarHBondContact O-N 3.42Å; L242-E245 PolarHBondContact O-N 2.84Å; L242-R246 WeakPolarHBondContact O-CB 3.49Å; L242-R246 VanDerWaalsContact O-CG 3.23Å; L242-R246 WeakPolarHBondContact O-CG 3.13Å; L242-R246 PolarHBondContact O-N 2.82Å
243	V	94.8	Very high	92.1	Very high	4 Å²	4	65 Å²	65	2%	0.024	33%	0.33	C	S	.	.	H	α-helix	trans	-64.1	-42.1	174.6	171.6	0	0	0	0	111.3	W224 Y227 S239 A240 R241 A247	W224-V243 HydrophobicContact CE3-CG1 4.07Å; Y227-V243 HydrophobicContact CD1-CB 4.22Å; Y227-V243 HydrophobicContact CD1-CG1 3.39Å; Y227-V243 HydrophobicContact CD1-CG2 3.67Å; Y227-V243 HydrophobicContact CE1-CB 4.27Å; Y227-V243 HydrophobicContact CE1-CG1 3.91Å; Y227-V243 HydrophobicContact CE1-CG2 3.29Å; Y227-V243 HydrophobicContact CE2-CG2 4.24Å; Y227-V243 HydrophobicContact CG-CG1 3.92Å; Y227-V243 HydrophobicContact CG-CG2 4.3Å; S239-V243 VanDerWaalsContact O-CG2 3.29Å; S239-V243 WeakPolarHBondContact O-CG2 3.3Å; S239-V243 PolarHBondContact O-N 2.99Å; A240-V243 PolarHBondContact O-N 3.06Å; R241-V243 PolarHBondContact O-N 3.06Å; V243-A247 WeakPolarHBondContact O-CB 3.33Å; V243-A247 PolarHBondContact O-N 3.37Å
244	F	94.8	Very high	91.5	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.009	33%	0.332	C	S	.	.	H	α-helix	trans	-66.2	-44.7	174.9	-79	-63.7	0	0	0	112.5	S228 A240 R241 R246 A247 V248 L260 F264 F267	S228-F244 VanDerWaalsContact CB-CE2 3.4Å; S228-F244 VanDerWaalsContact CB-CZ 3.5Å; S228-F244 VanDerWaalsContact OG-CE1 3.3Å; S228-F244 WeakPolarHBondContact OG-CE1 3.17Å; S228-F244 WeakPolarHBondContact OG-CE2 3.08Å; S228-F244 WeakPolarHBondContact OG-CZ 3.16Å; A240-F244 WeakPolarHBondContact O-CD2 3.34Å; A240-F244 PolarHBondContact O-N 2.83Å; A240-F244 VanDerWaalsContact O-N 3.09Å; R241-F244 WeakPolarHBondContact O-CB 3.43Å; R241-F244 PolarHBondContact O-N 3.4Å; F244-R246 VanDerWaalsContact C-N 3.33Å; F244-R246 PolarHBondContact O-N 3.36Å; F244-A247 WeakPolarHBondContact O-CB 3.49Å; F244-A247 PolarHBondContact O-N 2.83Å; F244-A247 VanDerWaalsContact O-N 3.12Å; F244-V248 WeakPolarHBondContact O-CG2 3.21Å; F244-V248 PolarHBondContact O-N 3.4Å; F244-L260 HydrophobicContact CD1-CD1 4.08Å; F244-L260 HydrophobicContact CE1-CD1 4.3Å; F244-F264 HydrophobicContact CB-CB 4.42Å; F244-F264 HydrophobicContact CB-CD1 4.29Å; F244-F264 HydrophobicContact CB-CD2 3.33Å; F244-F264 HydrophobicContact CB-CE1 4.4Å; F244-F264 HydrophobicContact CB-CE2 3.49Å; F244-F264 VanDerWaalsContact CB-CE2 3.49Å; F244-F264 HydrophobicContact CB-CG 3.77Å; F244-F264 HydrophobicContact CB-CZ 4.04Å; F244-F264 HydrophobicContact CD1-CB 3.75Å; F244-F264 HydrophobicContact CD1-CD2 4Å; F244-F264 HydrophobicContact CD1-CG 4.04Å; F244-F264 AromaticContact CD2-CD2 3.63Å; F244-F264 HydrophobicContact CD2-CD2 3.63Å; F244-F264 HydrophobicContact CD2-CE2 4.17Å; F244-F264 HydrophobicContact CD2-CG 4.47Å; F244-F264 HydrophobicContact CE1-CB 4.07Å; F244-F264 HydrophobicContact CE2-CD2 4.36Å; F244-F264 HydrophobicContact CG-CB 4.09Å; F244-F264 AromaticContact CG-CD2 3.41Å; F244-F264 HydrophobicContact CG-CD2 3.41Å; F244-F264 VanDerWaalsContact CG-CD2 3.41Å; F244-F264 HydrophobicContact CG-CE2 4.02Å; F244-F264 AromaticContact CG-CG 3.89Å; F244-F264 HydrophobicContact CG-CG 3.89Å; F244-F267 HydrophobicContact CD2-CB 4.28Å; F244-F267 AromaticContact CD2-CD1 3.82Å; F244-F267 HydrophobicContact CD2-CD1 3.82Å; F244-F267 HydrophobicContact CD2-CE1 4.28Å; F244-F267 AromaticContact CD2-CG 3.96Å; F244-F267 HydrophobicContact CD2-CG 3.96Å; F244-F267 HydrophobicContact CE2-CB 3.53Å; F244-F267 AromaticContact CE2-CD1 3.85Å; F244-F267 HydrophobicContact CE2-CD1 3.85Å; F244-F267 AromaticContact CE2-CD2 3.91Å; F244-F267 HydrophobicContact CE2-CD2 3.91Å; F244-F267 AromaticContact CE2-CG 3.48Å; F244-F267 HydrophobicContact CE2-CG 3.48Å; F244-F267 VanDerWaalsContact CE2-CG 3.48Å; F244-F267 HydrophobicContact CZ-CB 4.03Å; F244-F267 HydrophobicContact CZ-CG 4.43Å
245	E	93.9	Very high	91.1	Very high	90 Å²	90	63.8 Å²	63.8	42%	0.421	34%	0.339	S	S	.	.	H	α-helix	trans	-57.4	-47.4	176.2	-72.1	173	178.1	0	0	110.9	R241 L242 A247 V248 E249 F264	R241-E245 HydrophobicContact CG-CG 4.47Å; R241-E245 WeakPolarHBondContact O-CG 3.47Å; R241-E245 PolarHBondContact O-N 3.04Å; L242-E245 PolarHBondContact O-N 2.84Å; E245-A247 VanDerWaalsContact C-N 3.33Å; E245-A247 PolarHBondContact O-N 3.33Å; E245-V248 PolarHBondContact O-N 3.01Å; E245-E249 WeakPolarHBondContact O-CB 3.36Å; E245-E249 PolarHBondContact O-N 2.91Å; E245-F264 HydrophobicContact CG-CZ 4.42Å
246	R	93.9	Very high	90.6	Very high	74 Å²	74	62.1 Å²	62.1	28%	0.279	32%	0.319	S	S	.	.	H	α-helix	trans	-62.8	-37	174.6	-73.8	173.1	61.3	-154.4	-2.7	113.1	E212 W224 L242 F244 F250	E212-R246 IonicContact OE1-CZ 2.76Å; E212-R246 IonicContact OE1-NH1 2.74Å; E212-R246 PolarHBondContact OE1-NH1 3.2Å; E212-R246 IonicContact OE2-CZ 3.48Å; E212-R246 IonicContact OE2-NH1 3.53Å; E212-R246 PolarHBondContact OE2-NH1 2.7Å; E212-R246 IonicContact OE2-NH2 2.78Å; E212-R246 PolarHBondContact OE2-NH2 3.34Å; W224-R246 HydrophobicContact CZ3-CB 4.19Å; L242-R246 WeakPolarHBondContact O-CB 3.49Å; L242-R246 VanDerWaalsContact O-CG 3.23Å; L242-R246 WeakPolarHBondContact O-CG 3.13Å; L242-R246 PolarHBondContact O-N 2.82Å; F244-R246 VanDerWaalsContact C-N 3.33Å; F244-R246 PolarHBondContact O-N 3.36Å; R246-F250 WeakPolarHBondContact O-CB 3.32Å; R246-F250 PolarHBondContact O-N 3.49Å
247	A	93.8	Very high	90.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.6	-43.2	177	0	0	0	0	0	111	W224 V243 F244 E245 F250 F251 L260	W224-A247 HydrophobicContact CB-CB 3.89Å; W224-A247 HydrophobicContact CD2-CB 3.63Å; W224-A247 HydrophobicContact CE3-CB 3.57Å; W224-A247 HydrophobicContact CG-CB 3.79Å; W224-A247 HydrophobicContact CZ3-CB 4.28Å; V243-A247 WeakPolarHBondContact O-CB 3.33Å; V243-A247 PolarHBondContact O-N 3.37Å; F244-A247 WeakPolarHBondContact O-CB 3.49Å; F244-A247 PolarHBondContact O-N 2.83Å; F244-A247 VanDerWaalsContact O-N 3.12Å; E245-A247 VanDerWaalsContact C-N 3.33Å; E245-A247 PolarHBondContact O-N 3.33Å; A247-F250 PolarHBondContact O-N 2.91Å; A247-F251 WeakPolarHBondContact O-CD2 3.26Å; A247-F251 PolarHBondContact O-N 3.09Å; A247-F251 VanDerWaalsContact O-N 3.12Å; A247-L260 HydrophobicContact CB-CD1 3.9Å; A247-L260 HydrophobicContact CB-CD2 3.7Å; A247-L260 HydrophobicContact CB-CG 4.39Å
248	V	92.2	Very high	90	Very high	29 Å²	29	57.7 Å²	57.7	18%	0.176	30%	0.3	C	S	.	.	H	α-helix	trans	-65	-42.9	177.1	175.1	0	0	0	0	110.7	F244 E245 F250 G252 L260 L261 F264 Y283	F244-V248 WeakPolarHBondContact O-CG2 3.21Å; F244-V248 PolarHBondContact O-N 3.4Å; E245-V248 PolarHBondContact O-N 3.01Å; V248-F250 PolarHBondContact O-N 3.48Å; V248-G252 PolarHBondContact O-N 3.03Å; V248-L260 HydrophobicContact CG2-CD2 4.33Å; V248-L261 HydrophobicContact CG2-CD2 3.98Å; V248-F264 HydrophobicContact CG2-CD1 4.22Å; V248-Y283 HydrophobicContact CG1-CE1 4.21Å
249	E	92.3	Very high	89.9	Confident	159 Å²	159	59.2 Å²	59.2	74%	0.743	30%	0.296	S	S	*	.	H	α-helix	trans	-62.1	-41.4	174.7	-172.8	-179	-175.5	0	0	112.1	E245 G252	E245-E249 WeakPolarHBondContact O-CB 3.36Å; E245-E249 PolarHBondContact O-N 2.91Å; E249-G252 PolarHBondContact O-N 3.18Å
250	F	91.9	Very high	89.9	Confident	99 Å²	99	57.5 Å²	57.5	43%	0.434	28%	0.284	S	S	.	.	H	α-helix	trans	-65.9	-43.2	-178.7	179.7	-87.6	0	0	0	113.2	P219 W224 R246 A247 V248 G252	P219-F250 HydrophobicContact CB-CE1 3.47Å; P219-F250 VanDerWaalsContact CB-CE1 3.47Å; P219-F250 HydrophobicContact CB-CZ 3.56Å; P219-F250 HydrophobicContact CG-CZ 4.44Å; W224-F250 HydrophobicContact CZ2-CB 4.16Å; W224-F250 HydrophobicContact CZ2-CD1 4.29Å; W224-F250 HydrophobicContact CZ2-CD2 4.37Å; W224-F250 AromaticContact CZ2-CG 4Å; W224-F250 HydrophobicContact CZ2-CG 4Å; R246-F250 WeakPolarHBondContact O-CB 3.32Å; R246-F250 PolarHBondContact O-N 3.49Å; A247-F250 PolarHBondContact O-N 2.91Å; V248-F250 PolarHBondContact O-N 3.48Å; F250-G252 VanDerWaalsContact C-N 3.31Å
251	F	89.8	Confident	89.8	Confident	29 Å²	29	57.9 Å²	57.9	13%	0.127	29%	0.286	C	S	.	.	H	α-helix	trans	-76	-22.2	176.5	-73.2	-67.6	0	0	0	112.7	P219 P221 W224 A247 Q257 L260	P219-F251 WeakPolarHBondContact O-CE1 3.18Å; P219-F251 WeakPolarHBondContact O-CZ 3.25Å; P221-F251 HydrophobicContact CB-CE2 4.18Å; P221-F251 HydrophobicContact CB-CZ 4.18Å; W224-F251 AromaticContact CD1-CE2 3.6Å; W224-F251 AromaticContact CD1-CZ 3.89Å; W224-F251 HydrophobicContact CG-CE2 4.39Å; W224-F251 AromaticContact NE1-CE2 3.87Å; A247-F251 WeakPolarHBondContact O-CD2 3.26Å; A247-F251 PolarHBondContact O-N 3.09Å; A247-F251 VanDerWaalsContact O-N 3.12Å; F251-Q257 HydrophobicContact CD1-CG 3.91Å; F251-Q257 HydrophobicContact CD2-CG 4.23Å; F251-Q257 HydrophobicContact CE1-CG 4.11Å; F251-Q257 HydrophobicContact CE2-CG 4.43Å; F251-Q257 HydrophobicContact CG-CG 4Å; F251-Q257 HydrophobicContact CZ-CG 4.39Å; F251-L260 HydrophobicContact CD2-CD2 3.64Å; F251-L260 HydrophobicContact CE2-CD2 4.01Å
252	G	86.1	Confident	89.7	Confident	27 Å²	27	56.8 Å²	56.8	28%	0.278	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	-167.5	178.1	0	0	0	0	0	113.7	V248 E249 F250	V248-G252 PolarHBondContact O-N 3.03Å; E249-G252 PolarHBondContact O-N 3.18Å; F250-G252 VanDerWaalsContact C-N 3.31Å
253	T	81.9	Confident	89.6	Confident	79 Å²	79	53 Å²	53	49%	0.485	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-17.7	175.8	49.1	0	0	0	0	113.1	P256	T253-P256 WeakPolarHBondContact O-CD 3.38Å
254	D	78.6	Confident	89.6	Confident	158 Å²	158	53.8 Å²	53.8	85%	0.845	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-30.5	-173.9	-62.4	-20	0	0	0	112.6
255	N	82	Confident	89.6	Confident	92 Å²	92	53.7 Å²	53.7	49%	0.492	27%	0.265	S	S	.	.	S	Bend	trans	-137.9	60.9	180	-168.9	13.4	0	0	0	112.3	Q257	N255-Q257 PolarHBondContact ND2-NE2 3.19Å; N255-Q257 PolarHBondContact O-N 3.27Å; N255-Q257 PolarHBondContact O-NE2 2.92Å; N255-Q257 PolarHBondContact OD1-NE2 3.36Å
256	P	79.9	Confident	89.6	Confident	14 Å²	14	54.7 Å²	54.7	9%	0.091	27%	0.265	C	S	.	.			trans	-65.7	131	-178.7	28.5	-33.8	0	0	0	110	T253 L261 N287 L288	T253-P256 WeakPolarHBondContact O-CD 3.38Å; P256-L261 HydrophobicContact CB-CD1 4.45Å; P256-N287 HydrophobicContact CG-CB 4.27Å; P256-N287 WeakPolarHBondContact CG-O 3.46Å; P256-L288 HydrophobicContact CB-CD1 4.47Å; P256-L288 HydrophobicContact CB-CD2 4.24Å; P256-L288 HydrophobicContact CB-CG 3.96Å; P256-L288 HydrophobicContact CG-CD2 4.15Å; P256-L288 HydrophobicContact CG-CG 3.85Å; P256-L288 VanDerWaalsContact O-CD2 3.29Å; P256-L288 WeakPolarHBondContact O-CD2 3.42Å
257	Q	85.6	Confident	89.6	Confident	50 Å²	50	51.1 Å²	51.1	23%	0.234	25%	0.252	C	S	.	.			trans	-98.7	108.4	-177.1	-64.7	-64.1	-40.8	0	0	109.9	P221 F251 N255 R259 L260 L261	P221-Q257 HydrophobicContact CB-CB 3.97Å; P221-Q257 HydrophobicContact CB-CG 4.05Å; P221-Q257 HydrophobicContact CG-CB 4.27Å; P221-Q257 HydrophobicContact CG-CG 4.03Å; F251-Q257 HydrophobicContact CD1-CG 3.91Å; F251-Q257 HydrophobicContact CD2-CG 4.23Å; F251-Q257 HydrophobicContact CE1-CG 4.11Å; F251-Q257 HydrophobicContact CE2-CG 4.43Å; F251-Q257 HydrophobicContact CG-CG 4Å; F251-Q257 HydrophobicContact CZ-CG 4.39Å; N255-Q257 PolarHBondContact ND2-NE2 3.19Å; N255-Q257 PolarHBondContact O-N 3.27Å; N255-Q257 PolarHBondContact O-NE2 2.92Å; N255-Q257 PolarHBondContact OD1-NE2 3.36Å; Q257-R259 VanDerWaalsContact C-N 3.25Å; Q257-R259 PolarHBondContact O-N 3.2Å; Q257-L260 HydrophobicContact CB-CB 3.94Å; Q257-L260 WeakPolarHBondContact O-CB 3.29Å; Q257-L260 PolarHBondContact O-N 3.28Å; Q257-L261 PolarHBondContact O-N 3.28Å
258	A	88.3	Confident	89.7	Confident	9 Å²	9	51.2 Å²	51.2	7%	0.074	25%	0.252	C	S	.	.	H	α-helix	trans	-51.9	-45.5	-177.7	0	0	0	0	0	112.3	L260 L261 I262 L288 D292 I296	A258-L260 VanDerWaalsContact C-N 3.32Å; A258-L260 PolarHBondContact O-N 3.02Å; A258-L261 PolarHBondContact O-N 2.87Å; A258-I262 VanDerWaalsContact O-CG1 3.27Å; A258-I262 WeakPolarHBondContact O-CG1 3.02Å; A258-I262 PolarHBondContact O-N 3.32Å; A258-L288 HydrophobicContact CB-CD2 3.81Å; A258-D292 HydrophobicContact CB-CB 4.07Å; A258-I296 HydrophobicContact CB-CD1 4.02Å; A258-I296 HydrophobicContact CB-CG1 4.43Å
259	R	90.9	Very high	89.7	Confident	159 Å²	159	51.1 Å²	51.1	60%	0.6	25%	0.25	S	C	*	.	H	α-helix	trans	-61.5	-38	-179.7	-171.3	176.9	-177.8	161.1	5.3	113.2	I225 Q257 D263	I225-R259 HydrophobicContact CD1-CG 3.92Å; Q257-R259 VanDerWaalsContact C-N 3.25Å; Q257-R259 PolarHBondContact O-N 3.2Å; R259-D263 PolarHBondContact O-N 3.1Å; R259-D263 VanDerWaalsContact O-N 3.09Å
260	L	92.5	Very high	89.7	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-66.2	-47.1	178	177.7	68.3	0	0	0	110.3	P221 W224 I225 F244 A247 V248 F251 Q257 A258 D263 F264	P221-L260 HydrophobicContact CB-CB 4.23Å; W224-L260 HydrophobicContact CB-CD1 4.23Å; I225-L260 HydrophobicContact CG1-CD1 4.03Å; F244-L260 HydrophobicContact CD1-CD1 4.08Å; F244-L260 HydrophobicContact CE1-CD1 4.3Å; A247-L260 HydrophobicContact CB-CD1 3.9Å; A247-L260 HydrophobicContact CB-CD2 3.7Å; A247-L260 HydrophobicContact CB-CG 4.39Å; V248-L260 HydrophobicContact CG2-CD2 4.33Å; F251-L260 HydrophobicContact CD2-CD2 3.64Å; F251-L260 HydrophobicContact CE2-CD2 4.01Å; Q257-L260 HydrophobicContact CB-CB 3.94Å; Q257-L260 WeakPolarHBondContact O-CB 3.29Å; Q257-L260 PolarHBondContact O-N 3.28Å; A258-L260 VanDerWaalsContact C-N 3.32Å; A258-L260 PolarHBondContact O-N 3.02Å; L260-D263 PolarHBondContact O-N 3.08Å; L260-F264 WeakPolarHBondContact O-CB 3.27Å; L260-F264 PolarHBondContact O-N 3.04Å
261	L	92.5	Very high	89.8	Confident	8 Å²	8	46.6 Å²	46.6	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-66.1	-39.5	-179.4	-66.8	168	0	0	0	111.9	V248 P256 Q257 A258 F264 A265 I280 Y283 A284 L288	V248-L261 HydrophobicContact CG2-CD2 3.98Å; P256-L261 HydrophobicContact CB-CD1 4.45Å; Q257-L261 PolarHBondContact O-N 3.28Å; A258-L261 PolarHBondContact O-N 2.87Å; L261-F264 PolarHBondContact O-N 3.39Å; L261-A265 WeakPolarHBondContact O-CB 3.43Å; L261-A265 PolarHBondContact O-N 2.95Å; L261-I280 HydrophobicContact CB-CG2 4.37Å; L261-I280 HydrophobicContact CD2-CG2 4.2Å; L261-Y283 HydrophobicContact CD2-CD1 4.22Å; L261-Y283 HydrophobicContact CD2-CE1 4.44Å; L261-A284 HydrophobicContact CB-CB 4.2Å; L261-A284 HydrophobicContact CD1-CB 3.71Å; L261-L288 HydrophobicContact CD1-CD1 3.56Å
262	I	92.9	Very high	89.8	Confident	14 Å²	14	52.7 Å²	52.7	7%	0.072	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-46.5	174.2	-68.4	166.3	0	0	0	110.9	A258 F264 A265 R266 E295 I296 A299	A258-I262 VanDerWaalsContact O-CG1 3.27Å; A258-I262 WeakPolarHBondContact O-CG1 3.02Å; A258-I262 PolarHBondContact O-N 3.32Å; I262-F264 VanDerWaalsContact C-N 3.31Å; I262-F264 PolarHBondContact O-N 3.47Å; I262-A265 PolarHBondContact O-N 3.46Å; I262-R266 WeakPolarHBondContact O-CB 3.17Å; I262-R266 VanDerWaalsContact O-CG 3.25Å; I262-R266 WeakPolarHBondContact O-CG 3.43Å; I262-R266 PolarHBondContact O-N 2.96Å; I262-E295 HydrophobicContact CD1-CB 4.25Å; I262-I296 HydrophobicContact CD1-CG1 4.1Å; I262-I296 HydrophobicContact CG1-CG1 4.16Å; I262-A299 HydrophobicContact CG1-CB 4.35Å; I262-A299 HydrophobicContact CG2-CB 4.42Å
263	D	93.7	Very high	90.2	Very high	15 Å²	15	55.5 Å²	55.5	8%	0.08	26%	0.258	C	S	.	.	H	α-helix	trans	-69.4	-30.1	178.8	-93.6	-15.2	0	0	0	112	I225 K229 R259 L260 R266 F267	I225-D263 HydrophobicContact CD1-CB 4.27Å; I225-D263 HydrophobicContact CG1-CB 4.18Å; I225-D263 WeakPolarHBondContact CG2-OD2 3.48Å; K229-D263 IonicContact NZ-OD1 3.1Å; K229-D263 IonicContact NZ-OD2 2.81Å; K229-D263 PolarHBondContact NZ-OD2 3.38Å; R259-D263 PolarHBondContact O-N 3.1Å; R259-D263 VanDerWaalsContact O-N 3.09Å; L260-D263 PolarHBondContact O-N 3.08Å; D263-R266 IonicContact OD1-NH1 3.88Å; D263-F267 WeakPolarHBondContact O-CB 3.39Å; D263-F267 PolarHBondContact O-N 3.13Å
264	F	95	Very high	90.6	Very high	20 Å²	20	55.3 Å²	55.3	9%	0.088	25%	0.249	C	C	.	.	H	α-helix	trans	-69.3	-46.2	173.3	-175.8	-152.2	0	0	0	111.9	F244 E245 V248 L260 L261 I262 R266 F267 E268 I280	F244-F264 HydrophobicContact CB-CB 4.42Å; F244-F264 HydrophobicContact CB-CD1 4.29Å; F244-F264 HydrophobicContact CB-CD2 3.33Å; F244-F264 HydrophobicContact CB-CE1 4.4Å; F244-F264 HydrophobicContact CB-CE2 3.49Å; F244-F264 VanDerWaalsContact CB-CE2 3.49Å; F244-F264 HydrophobicContact CB-CG 3.77Å; F244-F264 HydrophobicContact CB-CZ 4.04Å; F244-F264 HydrophobicContact CD1-CB 3.75Å; F244-F264 HydrophobicContact CD1-CD2 4Å; F244-F264 HydrophobicContact CD1-CG 4.04Å; F244-F264 AromaticContact CD2-CD2 3.63Å; F244-F264 HydrophobicContact CD2-CD2 3.63Å; F244-F264 HydrophobicContact CD2-CE2 4.17Å; F244-F264 HydrophobicContact CD2-CG 4.47Å; F244-F264 HydrophobicContact CE1-CB 4.07Å; F244-F264 HydrophobicContact CE2-CD2 4.36Å; F244-F264 HydrophobicContact CG-CB 4.09Å; F244-F264 AromaticContact CG-CD2 3.41Å; F244-F264 HydrophobicContact CG-CD2 3.41Å; F244-F264 VanDerWaalsContact CG-CD2 3.41Å; F244-F264 HydrophobicContact CG-CE2 4.02Å; F244-F264 AromaticContact CG-CG 3.89Å; F244-F264 HydrophobicContact CG-CG 3.89Å; E245-F264 HydrophobicContact CG-CZ 4.42Å; V248-F264 HydrophobicContact CG2-CD1 4.22Å; L260-F264 WeakPolarHBondContact O-CB 3.27Å; L260-F264 PolarHBondContact O-N 3.04Å; L261-F264 PolarHBondContact O-N 3.39Å; I262-F264 VanDerWaalsContact C-N 3.31Å; I262-F264 PolarHBondContact O-N 3.47Å; F264-R266 VanDerWaalsContact C-N 3.31Å; F264-R266 PolarHBondContact O-N 3.24Å; F264-F267 HydrophobicContact CD2-CD1 4.09Å; F264-F267 HydrophobicContact CE2-CD1 4.2Å; F264-F267 WeakPolarHBondContact O-CA 3.06Å; F264-F267 WeakPolarHBondContact O-CB 3.37Å; F264-F267 PolarHBondContact O-N 2.9Å; F264-E268 HydrophobicContact CD2-CG 4.35Å; F264-E268 HydrophobicContact CE2-CG 4.01Å; F264-E268 PolarHBondContact O-N 3.41Å; F264-I280 HydrophobicContact CD1-CD1 3.48Å; F264-I280 VanDerWaalsContact CD1-CD1 3.48Å; F264-I280 HydrophobicContact CD1-CG1 3.88Å; F264-I280 HydrophobicContact CD1-CG2 4.15Å; F264-I280 HydrophobicContact CD2-CD1 4.14Å; F264-I280 HydrophobicContact CE1-CD1 3.5Å; F264-I280 VanDerWaalsContact CE1-CD1 3.5Å; F264-I280 HydrophobicContact CE1-CG1 3.85Å; F264-I280 HydrophobicContact CE2-CD1 4.15Å; F264-I280 HydrophobicContact CG-CD1 3.82Å; F264-I280 HydrophobicContact CZ-CD1 3.85Å
265	A	94.2	Very high	91.2	Very high	0 Å²	0	53 Å²	53	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-41.2	174.7	0	0	0	0	0	111.6	L261 I262 F267 E268 E269 A277 I280 Y281	L261-A265 WeakPolarHBondContact O-CB 3.43Å; L261-A265 PolarHBondContact O-N 2.95Å; I262-A265 PolarHBondContact O-N 3.46Å; A265-F267 VanDerWaalsContact C-N 3.29Å; A265-F267 PolarHBondContact O-N 3.33Å; A265-E268 PolarHBondContact O-N 3.49Å; A265-E269 WeakPolarHBondContact O-CB 3.4Å; A265-E269 PolarHBondContact O-N 3.09Å; A265-A277 HydrophobicContact CB-CB 4.41Å; A265-I280 HydrophobicContact CB-CB 4.29Å; A265-I280 HydrophobicContact CB-CG2 3.94Å; A265-Y281 HydrophobicContact CB-CD1 4.27Å; A265-Y281 HydrophobicContact CB-CD2 4.16Å; A265-Y281 HydrophobicContact CB-CE1 3.76Å; A265-Y281 HydrophobicContact CB-CE2 3.63Å; A265-Y281 HydrophobicContact CB-CG 4.45Å
266	R	94	Very high	91.7	Very high	111 Å²	111	54 Å²	54	42%	0.419	23%	0.229	S	C	.	.	H	α-helix	trans	-65.1	-30.9	173.3	-73.7	173.6	176.7	174.8	0.2	113	I262 D263 F264 R270	I262-R266 WeakPolarHBondContact O-CB 3.17Å; I262-R266 VanDerWaalsContact O-CG 3.25Å; I262-R266 WeakPolarHBondContact O-CG 3.43Å; I262-R266 PolarHBondContact O-N 2.96Å; D263-R266 IonicContact OD1-NH1 3.88Å; F264-R266 VanDerWaalsContact C-N 3.31Å; F264-R266 PolarHBondContact O-N 3.24Å; R266-R270 WeakPolarHBondContact O-CG 3.19Å; R266-R270 PolarHBondContact O-N 3.21Å; R266-R270 PolarHBondContact O-NH1 3.2Å
267	F	94.8	Very high	92.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.1	-47.9	173.7	163.8	-96.4	0	0	0	110.4	E232 I237 A240 R241 F244 D263 F264 A265 E269 R270 Q271	E232-F267 HydrophobicContact CG-CD2 4.43Å; E232-F267 HydrophobicContact CG-CE2 4.38Å; I237-F267 HydrophobicContact CG2-CE2 4.48Å; I237-F267 HydrophobicContact CG2-CZ 3.98Å; A240-F267 HydrophobicContact CB-CE2 3.74Å; A240-F267 HydrophobicContact CB-CZ 3.88Å; R241-F267 HydrophobicContact CB-CE1 3.86Å; R241-F267 HydrophobicContact CB-CZ 4.18Å; R241-F267 HydrophobicContact CG-CE1 4.36Å; F244-F267 HydrophobicContact CD2-CB 4.28Å; F244-F267 AromaticContact CD2-CD1 3.82Å; F244-F267 HydrophobicContact CD2-CD1 3.82Å; F244-F267 HydrophobicContact CD2-CE1 4.28Å; F244-F267 AromaticContact CD2-CG 3.96Å; F244-F267 HydrophobicContact CD2-CG 3.96Å; F244-F267 HydrophobicContact CE2-CB 3.53Å; F244-F267 AromaticContact CE2-CD1 3.85Å; F244-F267 HydrophobicContact CE2-CD1 3.85Å; F244-F267 AromaticContact CE2-CD2 3.91Å; F244-F267 HydrophobicContact CE2-CD2 3.91Å; F244-F267 AromaticContact CE2-CG 3.48Å; F244-F267 HydrophobicContact CE2-CG 3.48Å; F244-F267 VanDerWaalsContact CE2-CG 3.48Å; F244-F267 HydrophobicContact CZ-CB 4.03Å; F244-F267 HydrophobicContact CZ-CG 4.43Å; D263-F267 WeakPolarHBondContact O-CB 3.39Å; D263-F267 PolarHBondContact O-N 3.13Å; F264-F267 HydrophobicContact CD2-CD1 4.09Å; F264-F267 HydrophobicContact CE2-CD1 4.2Å; F264-F267 WeakPolarHBondContact O-CA 3.06Å; F264-F267 WeakPolarHBondContact O-CB 3.37Å; F264-F267 PolarHBondContact O-N 2.9Å; A265-F267 VanDerWaalsContact C-N 3.29Å; A265-F267 PolarHBondContact O-N 3.33Å; F267-E269 VanDerWaalsContact C-N 3.31Å; F267-E269 PolarHBondContact O-N 3.34Å; F267-R270 WeakPolarHBondContact O-CB 3.46Å; F267-R270 PolarHBondContact O-N 2.89Å; F267-R270 VanDerWaalsContact O-N 3.09Å; F267-Q271 HydrophobicContact CE1-CG 4.2Å; F267-Q271 HydrophobicContact CE2-CG 4.14Å; F267-Q271 HydrophobicContact CZ-CG 3.95Å; F267-Q271 WeakPolarHBondContact O-CG 3.47Å; F267-Q271 PolarHBondContact O-N 3.37Å
268	E	94.7	Very high	92.6	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.009	22%	0.221	C	C	.	.	H	α-helix	trans	-65.3	-33.2	175.6	-64.9	-62.9	170.7	0	0	112.2	R241 F264 A265 R270 Q271 K272 E273 R276 A277 I280	R241-E268 IonicContact CZ-OE1 2.71Å; R241-E268 IonicContact CZ-OE2 2.81Å; R241-E268 IonicContact NE-OE1 3.36Å; R241-E268 PolarHBondContact NE-OE1 3.29Å; R241-E268 IonicContact NE-OE2 3.96Å; R241-E268 IonicContact NH2-OE1 2.82Å; R241-E268 IonicContact NH2-OE2 3.2Å; R241-E268 PolarHBondContact NH2-OE2 2.95Å; F264-E268 HydrophobicContact CD2-CG 4.35Å; F264-E268 HydrophobicContact CE2-CG 4.01Å; F264-E268 PolarHBondContact O-N 3.41Å; A265-E268 PolarHBondContact O-N 3.49Å; E268-R270 VanDerWaalsContact C-N 3.31Å; E268-R270 PolarHBondContact O-N 2.94Å; E268-Q271 CarbonylContact O-C 3.38Å; E268-Q271 PolarHBondContact O-N 2.94Å; E268-Q271 VanDerWaalsContact O-N 3.14Å; E268-K272 PolarHBondContact O-N 2.89Å; E268-K272 VanDerWaalsContact O-N 3.1Å; E268-E273 HydrophobicContact CB-CB 4.29Å; E268-E273 PolarHBondContact O-N 3.28Å; E268-E273 WeakPolarHBondContact OE2-CB 3.32Å; E268-R276 HydrophobicContact CB-CB 4.33Å; E268-R276 HydrophobicContact CG-CB 4.16Å; E268-A277 HydrophobicContact CB-CB 4.26Å; E268-I280 HydrophobicContact CG-CD1 3.86Å
269	E	92.9	Very high	92.7	Very high	27 Å²	27	56.5 Å²	56.5	13%	0.126	24%	0.243	C	C	.	.	H	α-helix	trans	-55.8	-44.9	169.6	-171.7	-168.7	161.6	0	0	111.1	A265 F267 Q271 K272 K306 Y307	A265-E269 WeakPolarHBondContact O-CB 3.4Å; A265-E269 PolarHBondContact O-N 3.09Å; F267-E269 VanDerWaalsContact C-N 3.31Å; F267-E269 PolarHBondContact O-N 3.34Å; E269-Q271 VanDerWaalsContact C-N 3.33Å; E269-Q271 PolarHBondContact O-N 3.41Å; E269-K272 PolarHBondContact O-N 3.35Å; E269-K272 VanDerWaalsContact O-N 3.14Å; E269-K306 IonicContact OE1-NZ 2.98Å; E269-K306 PolarHBondContact OE1-NZ 3.1Å; E269-K306 IonicContact OE2-NZ 2.98Å; E269-Y307 HydrophobicContact CG-CD2 4.33Å; E269-Y307 HydrophobicContact CG-CE2 3.38Å; E269-Y307 WeakPolarHBondContact OE1-CE2 3.31Å; E269-Y307 PolarHBondContact OE1-OH 3.09Å
270	R	92.7	Very high	92.8	Very high	110 Å²	110	49.8 Å²	49.8	42%	0.415	22%	0.218	S	C	.	.	H	α-helix	trans	-68.8	-30.9	177.6	-71.7	-172.1	-61.1	-81.8	7	112.8	E232 R266 F267 E268 K272	E232-R270 IonicContact OE1-CZ 3.98Å; E232-R270 IonicContact OE1-NE 3.73Å; E232-R270 PolarHBondContact OE1-NE 3.36Å; E232-R270 IonicContact OE1-NH2 2.73Å; E232-R270 PolarHBondContact OE1-NH2 3.05Å; E232-R270 IonicContact OE2-CZ 2.67Å; E232-R270 IonicContact OE2-NE 3.8Å; E232-R270 IonicContact OE2-NH2 2.96Å; E232-R270 PolarHBondContact OE2-NH2 3.06Å; R266-R270 WeakPolarHBondContact O-CG 3.19Å; R266-R270 PolarHBondContact O-N 3.21Å; R266-R270 PolarHBondContact O-NH1 3.2Å; F267-R270 WeakPolarHBondContact O-CB 3.46Å; F267-R270 PolarHBondContact O-N 2.89Å; F267-R270 VanDerWaalsContact O-N 3.09Å; E268-R270 VanDerWaalsContact C-N 3.31Å; E268-R270 PolarHBondContact O-N 2.94Å; R270-K272 PolarHBondContact O-N 2.96Å
271	Q	92.5	Very high	92.7	Very high	53 Å²	53	49.9 Å²	49.9	25%	0.248	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-0.7	173.6	-58.3	-48.3	-45.3	0	0	113.6	I237 F267 E268 E269 E273	I237-Q271 VanDerWaalsContact CG2-CD 3.44Å; I237-Q271 HydrophobicContact CG2-CG 3.89Å; I237-Q271 VanDerWaalsContact CG2-OE1 3.3Å; F267-Q271 HydrophobicContact CE1-CG 4.2Å; F267-Q271 HydrophobicContact CE2-CG 4.14Å; F267-Q271 HydrophobicContact CZ-CG 3.95Å; F267-Q271 WeakPolarHBondContact O-CG 3.47Å; F267-Q271 PolarHBondContact O-N 3.37Å; E268-Q271 CarbonylContact O-C 3.38Å; E268-Q271 PolarHBondContact O-N 2.94Å; E268-Q271 VanDerWaalsContact O-N 3.14Å; E269-Q271 VanDerWaalsContact C-N 3.33Å; E269-Q271 PolarHBondContact O-N 3.41Å; Q271-E273 HydrophobicContact CB-CG 4.47Å; Q271-E273 PolarHBondContact O-N 2.87Å
272	K	91.2	Very high	92.5	Very high	156 Å²	156	54.9 Å²	54.9	68%	0.678	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	20.8	-176.1	-50.3	-179.7	179.2	179.9	0	114.3	E268 E269 R270 Y274	E268-K272 PolarHBondContact O-N 2.89Å; E268-K272 VanDerWaalsContact O-N 3.1Å; E269-K272 PolarHBondContact O-N 3.35Å; E269-K272 VanDerWaalsContact O-N 3.14Å; R270-K272 PolarHBondContact O-N 2.96Å; K272-Y274 VanDerWaalsContact C-N 3.33Å; K272-Y274 HydrophobicContact CB-CE2 4.31Å; K272-Y274 PolarHBondContact O-N 3.15Å
273	E	93	Very high	92.4	Very high	86 Å²	86	57.9 Å²	57.9	40%	0.402	25%	0.251	S	S	.	.			trans	-93.1	66.1	175.3	-70.2	-67.9	165.7	0	0	109.5	E268 Q271 E275 R276 A277	E268-E273 HydrophobicContact CB-CB 4.29Å; E268-E273 PolarHBondContact O-N 3.28Å; E268-E273 WeakPolarHBondContact OE2-CB 3.32Å; Q271-E273 HydrophobicContact CB-CG 4.47Å; Q271-E273 PolarHBondContact O-N 2.87Å; E273-E275 VanDerWaalsContact C-N 3.27Å; E273-E275 PolarHBondContact O-N 2.97Å; E273-R276 HydrophobicContact CB-CB 4.13Å; E273-R276 HydrophobicContact CB-CG 4.16Å; E273-R276 PolarHBondContact O-N 3.42Å; E273-A277 PolarHBondContact O-N 3.14Å; E273-A277 VanDerWaalsContact O-N 3.14Å
274	Y	91.7	Very high	92.1	Very high	76 Å²	76	57.1 Å²	57.1	30%	0.298	25%	0.247	S	C	.	.	H	α-helix	trans	-62.3	-35.3	-171.9	-51.2	-56.2	0	0	0	112.8	K272 A277 R278 H303 Y307	K272-Y274 VanDerWaalsContact C-N 3.33Å; K272-Y274 HydrophobicContact CB-CE2 4.31Å; K272-Y274 PolarHBondContact O-N 3.15Å; Y274-A277 WeakPolarHBondContact O-CB 3.29Å; Y274-A277 PolarHBondContact O-N 3.3Å; Y274-R278 WeakPolarHBondContact O-CG 3.43Å; Y274-R278 PolarHBondContact O-N 2.73Å; Y274-H303 PolarHBondContact O-NE2 3.08Å; Y274-Y307 AromaticContact CD1-CD1 3.77Å; Y274-Y307 HydrophobicContact CD1-CD1 3.77Å; Y274-Y307 AromaticContact CD1-CD2 3.81Å; Y274-Y307 HydrophobicContact CD1-CD2 3.81Å; Y274-Y307 HydrophobicContact CD1-CE1 4.09Å; Y274-Y307 HydrophobicContact CD1-CE2 4.16Å; Y274-Y307 AromaticContact CD1-CG 3.6Å; Y274-Y307 HydrophobicContact CD1-CG 3.6Å; Y274-Y307 HydrophobicContact CD2-CD1 4.4Å; Y274-Y307 AromaticContact CE1-CD1 3.36Å; Y274-Y307 HydrophobicContact CE1-CD1 3.36Å; Y274-Y307 HydrophobicContact CE1-CD2 4Å; Y274-Y307 AromaticContact CE1-CE1 3.31Å; Y274-Y307 HydrophobicContact CE1-CE1 3.31Å; Y274-Y307 AromaticContact CE1-CE2 3.98Å; Y274-Y307 HydrophobicContact CE1-CE2 3.98Å; Y274-Y307 AromaticContact CE1-CG 3.71Å; Y274-Y307 HydrophobicContact CE1-CG 3.71Å; Y274-Y307 AromaticContact CE1-CZ 3.63Å; Y274-Y307 HydrophobicContact CE2-CD1 4.04Å; Y274-Y307 HydrophobicContact CG-CD1 4.27Å; Y274-Y307 HydrophobicContact CG-CG 4.06Å; Y274-Y307 AromaticContact CZ-CD1 3.5Å; Y274-Y307 AromaticContact CZ-CE1 3.55Å
275	E	91	Very high	91.6	Very high	108 Å²	108	57.9 Å²	57.9	51%	0.505	25%	0.252	S	S	.	.	H	α-helix	trans	-66.7	-39.1	178.5	-166.7	56.5	-148.4	0	0	111.7	E273 A277 R278 V279	E273-E275 VanDerWaalsContact C-N 3.27Å; E273-E275 PolarHBondContact O-N 2.97Å; E275-A277 VanDerWaalsContact C-N 3.33Å; E275-A277 PolarHBondContact O-N 3.22Å; E275-R278 WeakPolarHBondContact O-CB 3.41Å; E275-R278 PolarHBondContact O-N 3.36Å; E275-R278 IonicContact OE2-CZ 2.9Å; E275-R278 IonicContact OE2-NH1 3.95Å; E275-R278 PolarHBondContact OE2-NH1 2.97Å; E275-V279 WeakPolarHBondContact O-CG2 3.38Å; E275-V279 PolarHBondContact O-N 3.18Å
276	R	92.1	Very high	91.2	Very high	113 Å²	113	65.3 Å²	65.3	43%	0.426	29%	0.287	S	S	.	.	H	α-helix	trans	-63.1	-42.4	173.3	-67	-174	172.8	-148.3	-7	111.3	R241 E268 E273 R278 V279 I280	R241-R276 VanDerWaalsContact CD-NH1 3.35Å; E268-R276 HydrophobicContact CB-CB 4.33Å; E268-R276 HydrophobicContact CG-CB 4.16Å; E273-R276 HydrophobicContact CB-CB 4.13Å; E273-R276 HydrophobicContact CB-CG 4.16Å; E273-R276 PolarHBondContact O-N 3.42Å; R276-R278 VanDerWaalsContact C-N 3.28Å; R276-R278 PolarHBondContact O-N 3.41Å; R276-V279 PolarHBondContact O-N 2.98Å; R276-I280 WeakPolarHBondContact O-CD1 3Å; R276-I280 VanDerWaalsContact O-CG1 3.27Å; R276-I280 WeakPolarHBondContact O-CG1 3.4Å; R276-I280 PolarHBondContact O-N 2.87Å
277	A	92.7	Very high	90.8	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.3	-39.2	175.2	0	0	0	0	0	111.9	A265 E268 E273 Y274 E275 I280 Y281	A265-A277 HydrophobicContact CB-CB 4.41Å; E268-A277 HydrophobicContact CB-CB 4.26Å; E273-A277 PolarHBondContact O-N 3.14Å; E273-A277 VanDerWaalsContact O-N 3.14Å; Y274-A277 WeakPolarHBondContact O-CB 3.29Å; Y274-A277 PolarHBondContact O-N 3.3Å; E275-A277 VanDerWaalsContact C-N 3.33Å; E275-A277 PolarHBondContact O-N 3.22Å; A277-I280 PolarHBondContact O-N 2.7Å; A277-Y281 WeakPolarHBondContact O-CD2 3.26Å; A277-Y281 PolarHBondContact O-N 3.03Å
278	R	90.4	Very high	90.2	Very high	39 Å²	39	63.1 Å²	63.1	15%	0.147	28%	0.283	C	S	.	.	H	α-helix	trans	-61.4	-47.4	174	-67.6	-175.6	177.5	139.6	-2.8	112.7	Y274 E275 R276 I280 Y281 K282 E304 Y307	Y274-R278 WeakPolarHBondContact O-CG 3.43Å; Y274-R278 PolarHBondContact O-N 2.73Å; E275-R278 WeakPolarHBondContact O-CB 3.41Å; E275-R278 PolarHBondContact O-N 3.36Å; E275-R278 IonicContact OE2-CZ 2.9Å; E275-R278 IonicContact OE2-NH1 3.95Å; E275-R278 PolarHBondContact OE2-NH1 2.97Å; R276-R278 VanDerWaalsContact C-N 3.28Å; R276-R278 PolarHBondContact O-N 3.41Å; R278-I280 VanDerWaalsContact C-N 3.28Å; R278-I280 PolarHBondContact O-N 3.34Å; R278-Y281 PolarHBondContact O-N 3.3Å; R278-K282 PolarHBondContact O-N 3.41Å; R278-E304 VanDerWaalsContact CD-OE1 3.27Å; R278-E304 WeakPolarHBondContact CD-OE1 3.35Å; R278-E304 WeakPolarHBondContact CG-OE1 3.27Å; R278-E304 IonicContact CZ-OE1 3.81Å; R278-E304 IonicContact CZ-OE2 2.66Å; R278-E304 IonicContact NE-OE1 3.63Å; R278-E304 PolarHBondContact NE-OE1 3.37Å; R278-E304 IonicContact NE-OE2 3.9Å; R278-E304 PolarHBondContact NE-OE2 3.29Å; R278-E304 IonicContact NH2-OE2 3.73Å; R278-E304 PolarHBondContact NH2-OE2 3.23Å; R278-Y307 PolarHBondContact NH2-O 3.06Å
279	V	92.2	Very high	89.5	Confident	87 Å²	87	66.6 Å²	66.6	53%	0.527	31%	0.306	S	S	.	.	H	α-helix	trans	-60.4	-41.2	178	175.7	0	0	0	0	110.6	E275 R276 Y281 K282 Y283	E275-V279 WeakPolarHBondContact O-CG2 3.38Å; E275-V279 PolarHBondContact O-N 3.18Å; R276-V279 PolarHBondContact O-N 2.98Å; V279-Y281 PolarHBondContact O-N 2.8Å; V279-K282 PolarHBondContact O-N 3.46Å; V279-Y283 WeakPolarHBondContact O-CB 3.04Å; V279-Y283 PolarHBondContact O-N 3.05Å
280	I	92.3	Very high	88.5	Confident	18 Å²	18	72.1 Å²	72.1	9%	0.092	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-44.1	175.6	-65.5	160.7	0	0	0	110.9	L261 F264 A265 E268 R276 A277 R278 Y283 A284	L261-I280 HydrophobicContact CB-CG2 4.37Å; L261-I280 HydrophobicContact CD2-CG2 4.2Å; F264-I280 HydrophobicContact CD1-CD1 3.48Å; F264-I280 VanDerWaalsContact CD1-CD1 3.48Å; F264-I280 HydrophobicContact CD1-CG1 3.88Å; F264-I280 HydrophobicContact CD1-CG2 4.15Å; F264-I280 HydrophobicContact CD2-CD1 4.14Å; F264-I280 HydrophobicContact CE1-CD1 3.5Å; F264-I280 VanDerWaalsContact CE1-CD1 3.5Å; F264-I280 HydrophobicContact CE1-CG1 3.85Å; F264-I280 HydrophobicContact CE2-CD1 4.15Å; F264-I280 HydrophobicContact CG-CD1 3.82Å; F264-I280 HydrophobicContact CZ-CD1 3.85Å; A265-I280 HydrophobicContact CB-CB 4.29Å; A265-I280 HydrophobicContact CB-CG2 3.94Å; E268-I280 HydrophobicContact CG-CD1 3.86Å; R276-I280 WeakPolarHBondContact O-CD1 3Å; R276-I280 VanDerWaalsContact O-CG1 3.27Å; R276-I280 WeakPolarHBondContact O-CG1 3.4Å; R276-I280 PolarHBondContact O-N 2.87Å; A277-I280 PolarHBondContact O-N 2.7Å; R278-I280 VanDerWaalsContact C-N 3.28Å; R278-I280 PolarHBondContact O-N 3.34Å; I280-Y283 PolarHBondContact O-N 3.15Å; I280-A284 WeakPolarHBondContact O-CB 3.3Å; I280-A284 PolarHBondContact O-N 3.36Å
281	Y	90.5	Very high	87.8	Confident	4 Å²	4	73.2 Å²	73.2	2%	0.016	34%	0.344	C	S	.	.	H	α-helix	trans	-64.5	-42	177.2	-75.2	-55.8	0	0	0	112.7	A265 A277 R278 V279 A284 L285 I296 A299 Y300 H303	A265-Y281 HydrophobicContact CB-CD1 4.27Å; A265-Y281 HydrophobicContact CB-CD2 4.16Å; A265-Y281 HydrophobicContact CB-CE1 3.76Å; A265-Y281 HydrophobicContact CB-CE2 3.63Å; A265-Y281 HydrophobicContact CB-CG 4.45Å; A277-Y281 WeakPolarHBondContact O-CD2 3.26Å; A277-Y281 PolarHBondContact O-N 3.03Å; R278-Y281 PolarHBondContact O-N 3.3Å; V279-Y281 PolarHBondContact O-N 2.8Å; Y281-A284 WeakPolarHBondContact O-CB 3.49Å; Y281-A284 PolarHBondContact O-N 2.98Å; Y281-L285 WeakPolarHBondContact O-CG 3.38Å; Y281-L285 PolarHBondContact O-N 3.1Å; Y281-I296 HydrophobicContact CD1-CG2 4.18Å; Y281-A299 HydrophobicContact CE1-CB 3.73Å; Y281-Y300 AromaticContact CD2-CD2 3.5Å; Y281-Y300 HydrophobicContact CD2-CD2 3.5Å; Y281-Y300 VanDerWaalsContact CD2-CD2 3.5Å; Y281-Y300 HydrophobicContact CD2-CE2 4.26Å; Y281-Y300 HydrophobicContact CD2-CG 4.27Å; Y281-Y300 HydrophobicContact CE2-CD2 4.41Å; Y281-Y300 AromaticContact CG-CD2 3.56Å; Y281-Y300 HydrophobicContact CG-CD2 3.56Å; Y281-Y300 HydrophobicContact CG-CE2 4.4Å; Y281-Y300 AromaticContact CG-CG 3.94Å; Y281-Y300 HydrophobicContact CG-CG 3.94Å; Y281-H303 HydrophobicContact CD2-CB 4.18Å; Y281-H303 HydrophobicContact CE2-CB 3.52Å; Y281-H303 AromaticContact CE2-CG 3.62Å
282	K	88.2	Confident	87	Confident	114 Å²	114	74.1 Å²	74.1	50%	0.496	35%	0.35	S	S	.	.	H	α-helix	trans	-62.6	-48	175	-72.9	-176.4	177.3	-179	0	111.7	R278 V279 A284 L285 E286	R278-K282 PolarHBondContact O-N 3.41Å; V279-K282 PolarHBondContact O-N 3.46Å; K282-A284 PolarHBondContact O-N 2.78Å; K282-L285 PolarHBondContact O-N 2.91Å; K282-L285 VanDerWaalsContact O-N 3.1Å; K282-E286 PolarHBondContact O-N 3.06Å; K282-E286 VanDerWaalsContact O-N 3.08Å
283	Y	89.5	Confident	86.4	Confident	76 Å²	76	67 Å²	67	30%	0.298	32%	0.32	S	S	.	.	H	α-helix	trans	-57.2	-38.4	174.9	178	-94.1	0	0	0	112.1	V248 L261 V279 I280 N287	V248-Y283 HydrophobicContact CG1-CE1 4.21Å; L261-Y283 HydrophobicContact CD2-CD1 4.22Å; L261-Y283 HydrophobicContact CD2-CE1 4.44Å; V279-Y283 WeakPolarHBondContact O-CB 3.04Å; V279-Y283 PolarHBondContact O-N 3.05Å; I280-Y283 PolarHBondContact O-N 3.15Å; Y283-N287 VanDerWaalsContact CD2-ND2 3.3Å; Y283-N287 WeakPolarHBondContact CD2-ND2 3.26Å; Y283-N287 WeakPolarHBondContact CE2-ND2 3.38Å; Y283-N287 PolarHBondContact O-N 3.34Å; Y283-N287 PolarHBondContact O-ND2 3.36Å
284	A	88.5	Confident	85.8	Confident	0 Å²	0	67 Å²	67	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-46.8	176.5	0	0	0	0	0	111.2	L261 I280 Y281 K282 E286 N287 L288 I296	L261-A284 HydrophobicContact CB-CB 4.2Å; L261-A284 HydrophobicContact CD1-CB 3.71Å; I280-A284 WeakPolarHBondContact O-CB 3.3Å; I280-A284 PolarHBondContact O-N 3.36Å; Y281-A284 WeakPolarHBondContact O-CB 3.49Å; Y281-A284 PolarHBondContact O-N 2.98Å; K282-A284 PolarHBondContact O-N 2.78Å; A284-E286 VanDerWaalsContact C-N 3.31Å; A284-E286 PolarHBondContact O-N 3.43Å; A284-N287 PolarHBondContact O-N 3.27Å; A284-L288 HydrophobicContact CB-CD1 3.61Å; A284-L288 VanDerWaalsContact O-CB 3.28Å; A284-L288 WeakPolarHBondContact O-CB 3.27Å; A284-L288 WeakPolarHBondContact O-CD1 3.44Å; A284-L288 PolarHBondContact O-N 3.17Å; A284-I296 HydrophobicContact CB-CD1 3.94Å; A284-I296 HydrophobicContact CB-CG2 4.03Å
285	L	84.5	Confident	85.5	Confident	36 Å²	36	69.1 Å²	69.1	19%	0.188	33%	0.332	C	S	.	.	H	α-helix	trans	-64.7	-30.8	-179.9	-69.8	173.4	0	0	0	113.9	Y281 K282 C293 I296 Y297 Y300	Y281-L285 WeakPolarHBondContact O-CG 3.38Å; Y281-L285 PolarHBondContact O-N 3.1Å; K282-L285 PolarHBondContact O-N 2.91Å; K282-L285 VanDerWaalsContact O-N 3.1Å; L285-C293 HydrophobicContact CD2-CB 4.29Å; L285-I296 HydrophobicContact CD2-CB 4.26Å; L285-I296 HydrophobicContact CD2-CG2 3.73Å; L285-I296 HydrophobicContact CG-CG2 3.94Å; L285-Y297 HydrophobicContact CD1-CD1 4.2Å; L285-Y297 HydrophobicContact CD1-CE1 3.73Å; L285-Y297 HydrophobicContact CD2-CD1 4Å; L285-Y297 HydrophobicContact CD2-CD2 4.01Å; L285-Y297 HydrophobicContact CD2-CE1 3.75Å; L285-Y297 HydrophobicContact CD2-CE2 3.76Å; L285-Y297 HydrophobicContact CD2-CG 4.11Å; L285-Y297 HydrophobicContact CG-CE1 4.4Å; L285-Y300 HydrophobicContact CD1-CD1 3.95Å; L285-Y300 HydrophobicContact CD1-CE1 4.27Å
286	E	85.2	Confident	85.3	Confident	156 Å²	156	64 Å²	64	73%	0.729	31%	0.308	S	S	*	.	H	α-helix	trans	-76.5	-33.4	179.7	-71.8	173.7	-177.7	0	0	113.2	K282 A284	K282-E286 PolarHBondContact O-N 3.06Å; K282-E286 VanDerWaalsContact O-N 3.08Å; A284-E286 VanDerWaalsContact C-N 3.31Å; A284-E286 PolarHBondContact O-N 3.43Å
287	N	85.7	Confident	85	Confident	51 Å²	51	60.2 Å²	60.2	27%	0.273	30%	0.295	S	S	.	.	H	α-helix	trans	-103	-22.3	-171.7	-65.1	-68.3	0	0	0	114.3	P256 Y283 A284	P256-N287 HydrophobicContact CG-CB 4.27Å; P256-N287 WeakPolarHBondContact CG-O 3.46Å; Y283-N287 VanDerWaalsContact CD2-ND2 3.3Å; Y283-N287 WeakPolarHBondContact CD2-ND2 3.26Å; Y283-N287 WeakPolarHBondContact CE2-ND2 3.38Å; Y283-N287 PolarHBondContact O-N 3.34Å; Y283-N287 PolarHBondContact O-ND2 3.36Å; A284-N287 PolarHBondContact O-N 3.27Å
288	L	82	Confident	84.7	Confident	14 Å²	14	66.3 Å²	66.3	7%	0.073	32%	0.321	C	S	.	.	S	Bend	trans	-80.1	149.9	-175.3	-81.9	130.4	0	0	0	113.9	P256 A258 L261 A284 D292 I296	P256-L288 HydrophobicContact CB-CD1 4.47Å; P256-L288 HydrophobicContact CB-CD2 4.24Å; P256-L288 HydrophobicContact CB-CG 3.96Å; P256-L288 HydrophobicContact CG-CD2 4.15Å; P256-L288 HydrophobicContact CG-CG 3.85Å; P256-L288 VanDerWaalsContact O-CD2 3.29Å; P256-L288 WeakPolarHBondContact O-CD2 3.42Å; A258-L288 HydrophobicContact CB-CD2 3.81Å; L261-L288 HydrophobicContact CD1-CD1 3.56Å; A284-L288 HydrophobicContact CB-CD1 3.61Å; A284-L288 VanDerWaalsContact O-CB 3.28Å; A284-L288 WeakPolarHBondContact O-CB 3.27Å; A284-L288 WeakPolarHBondContact O-CD1 3.44Å; A284-L288 PolarHBondContact O-N 3.17Å; L288-D292 HydrophobicContact CD2-CB 4Å; L288-I296 HydrophobicContact CB-CD1 4.36Å; L288-I296 HydrophobicContact CD1-CD1 3.19Å; L288-I296 HydrophobicContact CD2-CD1 4.35Å; L288-I296 HydrophobicContact CG-CD1 4.12Å
289	P	79.8	Confident	84.5	Confident	74 Å²	74	65 Å²	65	48%	0.481	32%	0.319	S	S	.	.			trans	-57.6	146.8	167.8	-21.4	33.3	0	0	0	111.4	D291 D292 C293	P289-D291 PolarHBondContact O-N 3.11Å; P289-D292 PolarHBondContact O-N 3.35Å; P289-D292 VanDerWaalsContact O-N 3.11Å; P289-C293 PolarHBondContact O-N 3.39Å; P289-C293 PolarHBondContact O-SG 3.05Å; P289-C293 VanDerWaalsContact O-SG 3.35Å
290	K	73.6	Confident	84.4	Confident	144 Å²	144	61.5 Å²	61.5	63%	0.626	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-31.5	-175.3	-65.8	-176.9	178.5	-177.2	0	113.8	C293 F323	K290-C293 WeakPolarHBondContact O-CB 3.35Å; K290-C293 PolarHBondContact O-N 3.42Å; K290-F323 HydrophobicContact CB-CE2 4.36Å; K290-F323 HydrophobicContact CB-CZ 4.42Å
291	D	77	Confident	84.1	Confident	133 Å²	133	61.4 Å²	61.4	71%	0.711	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-41.9	-178.3	-59.8	-21.8	0	0	0	112.1	P289 C293	P289-D291 PolarHBondContact O-N 3.11Å; D291-C293 VanDerWaalsContact C-N 3.32Å
292	D	76	Confident	84.1	Confident	72 Å²	72	65.6 Å²	65.6	39%	0.385	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-17.5	-178.4	-71.6	-21.2	0	0	0	112.5	A258 L288 P289 Q294 E295	A258-D292 HydrophobicContact CB-CB 4.07Å; L288-D292 HydrophobicContact CD2-CB 4Å; P289-D292 PolarHBondContact O-N 3.35Å; P289-D292 VanDerWaalsContact O-N 3.11Å; D292-Q294 PolarHBondContact O-N 3.4Å; D292-Q294 VanDerWaalsContact O-N 3.17Å; D292-E295 PolarHBondContact O-N 2.72Å
293	C	77.5	Confident	84.1	Confident	7 Å²	7	60.2 Å²	60.2	5%	0.047	30%	0.295	C	S	.	.	H	α-helix	trans	-60.4	-26.7	178.6	-67.8	0	0	0	0	112.3	L285 P289 K290 D291 E295 I296 Y297	L285-C293 HydrophobicContact CD2-CB 4.29Å; P289-C293 PolarHBondContact O-N 3.39Å; P289-C293 PolarHBondContact O-SG 3.05Å; P289-C293 VanDerWaalsContact O-SG 3.35Å; K290-C293 WeakPolarHBondContact O-CB 3.35Å; K290-C293 PolarHBondContact O-N 3.42Å; D291-C293 VanDerWaalsContact C-N 3.32Å; C293-E295 PolarHBondContact O-N 3.11Å; C293-I296 PolarHBondContact O-N 2.85Å; C293-Y297 HydrophobicContact CB-CD2 4.07Å; C293-Y297 HydrophobicContact CB-CE2 3.92Å; C293-Y297 WeakPolarHBondContact O-CB 3.34Å; C293-Y297 WeakPolarHBondContact O-CD2 3.27Å; C293-Y297 PolarHBondContact O-N 3.2Å
294	Q	82.2	Confident	84.1	Confident	84 Å²	84	56.7 Å²	56.7	39%	0.393	28%	0.281	S	S	.	.	H	α-helix	trans	-62.1	-41.9	179.2	-64.7	-168.9	0.6	0	0	112.8	D292 I296 K298 F323 E327	D292-Q294 PolarHBondContact O-N 3.4Å; D292-Q294 VanDerWaalsContact O-N 3.17Å; Q294-I296 VanDerWaalsContact C-N 3.31Å; Q294-K298 VanDerWaalsContact O-CG 3.29Å; Q294-K298 WeakPolarHBondContact O-CG 3.27Å; Q294-K298 PolarHBondContact O-N 2.99Å; Q294-K298 VanDerWaalsContact O-N 3.15Å; Q294-F323 HydrophobicContact CG-CE1 4.32Å; Q294-E327 PolarHBondContact NE2-OE1 2.61Å
295	E	84	Confident	84.1	Confident	121 Å²	121	63.4 Å²	63.4	57%	0.565	31%	0.311	S	S	*	.	H	α-helix	trans	-67.4	-36.7	177.4	-66.4	-161.3	162.8	0	0	111.2	I262 D292 C293 K298 A299	I262-E295 HydrophobicContact CD1-CB 4.25Å; D292-E295 PolarHBondContact O-N 2.72Å; C293-E295 PolarHBondContact O-N 3.11Å; E295-K298 PolarHBondContact O-N 3.07Å; E295-A299 PolarHBondContact O-N 3.36Å
296	I	87.6	Confident	84.2	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-72.2	-43.6	179.8	-65.9	162.9	0	0	0	111	A258 I262 Y281 A284 L285 L288 C293 Q294 K298 A299 Y300	A258-I296 HydrophobicContact CB-CD1 4.02Å; A258-I296 HydrophobicContact CB-CG1 4.43Å; I262-I296 HydrophobicContact CD1-CG1 4.1Å; I262-I296 HydrophobicContact CG1-CG1 4.16Å; Y281-I296 HydrophobicContact CD1-CG2 4.18Å; A284-I296 HydrophobicContact CB-CD1 3.94Å; A284-I296 HydrophobicContact CB-CG2 4.03Å; L285-I296 HydrophobicContact CD2-CB 4.26Å; L285-I296 HydrophobicContact CD2-CG2 3.73Å; L285-I296 HydrophobicContact CG-CG2 3.94Å; L288-I296 HydrophobicContact CB-CD1 4.36Å; L288-I296 HydrophobicContact CD1-CD1 3.19Å; L288-I296 HydrophobicContact CD2-CD1 4.35Å; L288-I296 HydrophobicContact CG-CD1 4.12Å; C293-I296 PolarHBondContact O-N 2.85Å; Q294-I296 VanDerWaalsContact C-N 3.31Å; I296-K298 VanDerWaalsContact C-N 3.26Å; I296-K298 PolarHBondContact O-N 3.3Å; I296-A299 CarbonylContact O-C 3.5Å; I296-A299 PolarHBondContact O-N 3.25Å; I296-A299 VanDerWaalsContact O-N 3.08Å; I296-Y300 VanDerWaalsContact O-CB 3.27Å; I296-Y300 WeakPolarHBondContact O-CB 3.27Å; I296-Y300 PolarHBondContact O-N 3.38Å
297	Y	84.6	Confident	84.3	Confident	35 Å²	35	63.1 Å²	63.1	14%	0.137	30%	0.304	C	S	.	.	H	α-helix	trans	-58.5	-40.3	173.3	-81.9	-60.9	0	0	0	111.2	L285 C293 T301 K320 F323	L285-Y297 HydrophobicContact CD1-CD1 4.2Å; L285-Y297 HydrophobicContact CD1-CE1 3.73Å; L285-Y297 HydrophobicContact CD2-CD1 4Å; L285-Y297 HydrophobicContact CD2-CD2 4.01Å; L285-Y297 HydrophobicContact CD2-CE1 3.75Å; L285-Y297 HydrophobicContact CD2-CE2 3.76Å; L285-Y297 HydrophobicContact CD2-CG 4.11Å; L285-Y297 HydrophobicContact CG-CE1 4.4Å; C293-Y297 HydrophobicContact CB-CD2 4.07Å; C293-Y297 HydrophobicContact CB-CE2 3.92Å; C293-Y297 WeakPolarHBondContact O-CB 3.34Å; C293-Y297 WeakPolarHBondContact O-CD2 3.27Å; C293-Y297 PolarHBondContact O-N 3.2Å; Y297-T301 VanDerWaalsContact O-CB 3.29Å; Y297-T301 WeakPolarHBondContact O-CB 3.14Å; Y297-T301 WeakPolarHBondContact O-CG2 3.44Å; Y297-T301 PolarHBondContact O-N 3.5Å; Y297-T301 PolarHBondContact O-OG1 2.96Å; Y297-K320 HydrophobicContact CD1-CB 4.29Å; Y297-F323 HydrophobicContact CE2-CB 4.43Å; Y297-F323 HydrophobicContact CE2-CD1 4.44Å; Y297-F323 HydrophobicContact CE2-CG 4.2Å
298	K	86.6	Confident	84.1	Confident	127 Å²	127	61.6 Å²	61.6	55%	0.552	30%	0.3	S	S	*	.	H	α-helix	trans	-62.8	-43.7	174	-72	169.2	-173.8	168.7	0	111.5	Q294 E295 I296 T301 L302	Q294-K298 VanDerWaalsContact O-CG 3.29Å; Q294-K298 WeakPolarHBondContact O-CG 3.27Å; Q294-K298 PolarHBondContact O-N 2.99Å; Q294-K298 VanDerWaalsContact O-N 3.15Å; E295-K298 PolarHBondContact O-N 3.07Å; I296-K298 VanDerWaalsContact C-N 3.26Å; I296-K298 PolarHBondContact O-N 3.3Å; K298-T301 PolarHBondContact O-OG1 3.47Å; K298-T301 VanDerWaalsContact O-OG1 3.05Å; K298-L302 WeakPolarHBondContact O-CB 3.16Å; K298-L302 PolarHBondContact O-N 3.27Å; K298-L302 VanDerWaalsContact O-N 3.15Å
299	A	88.1	Confident	84.2	Confident	12 Å²	12	66.4 Å²	66.4	10%	0.099	33%	0.326	C	S	.	.	H	α-helix	trans	-67.9	-42.8	178.1	0	0	0	0	0	112.6	I262 Y281 E295 I296 L302 H303	I262-A299 HydrophobicContact CG1-CB 4.35Å; I262-A299 HydrophobicContact CG2-CB 4.42Å; Y281-A299 HydrophobicContact CE1-CB 3.73Å; E295-A299 PolarHBondContact O-N 3.36Å; I296-A299 CarbonylContact O-C 3.5Å; I296-A299 PolarHBondContact O-N 3.25Å; I296-A299 VanDerWaalsContact O-N 3.08Å; A299-L302 WeakPolarHBondContact O-CB 3.4Å; A299-L302 PolarHBondContact O-N 2.87Å; A299-H303 PolarHBondContact O-N 3.2Å
300	Y	88.2	Confident	84.3	Confident	14 Å²	14	72 Å²	72	6%	0.055	34%	0.338	C	S	.	.	H	α-helix	trans	-70.2	-42.9	-178.9	-175.6	-143.3	0	0	0	111.8	Y281 L285 I296 L302 H303 E304 V316	Y281-Y300 AromaticContact CD2-CD2 3.5Å; Y281-Y300 HydrophobicContact CD2-CD2 3.5Å; Y281-Y300 VanDerWaalsContact CD2-CD2 3.5Å; Y281-Y300 HydrophobicContact CD2-CE2 4.26Å; Y281-Y300 HydrophobicContact CD2-CG 4.27Å; Y281-Y300 HydrophobicContact CE2-CD2 4.41Å; Y281-Y300 AromaticContact CG-CD2 3.56Å; Y281-Y300 HydrophobicContact CG-CD2 3.56Å; Y281-Y300 HydrophobicContact CG-CE2 4.4Å; Y281-Y300 AromaticContact CG-CG 3.94Å; Y281-Y300 HydrophobicContact CG-CG 3.94Å; L285-Y300 HydrophobicContact CD1-CD1 3.95Å; L285-Y300 HydrophobicContact CD1-CE1 4.27Å; I296-Y300 VanDerWaalsContact O-CB 3.27Å; I296-Y300 WeakPolarHBondContact O-CB 3.27Å; I296-Y300 PolarHBondContact O-N 3.38Å; Y300-L302 VanDerWaalsContact C-N 3.26Å; Y300-L302 PolarHBondContact O-N 3.44Å; Y300-H303 WeakPolarHBondContact O-CB 3.21Å; Y300-H303 PolarHBondContact O-N 3.44Å; Y300-H303 VanDerWaalsContact O-N 3.13Å; Y300-E304 HydrophobicContact CD2-CG 4.18Å; Y300-E304 HydrophobicContact CE2-CG 3.81Å; Y300-E304 WeakPolarHBondContact CE2-OE1 3.09Å; Y300-E304 PolarHBondContact O-N 2.85Å; Y300-V316 HydrophobicContact CD1-CB 4.32Å; Y300-V316 HydrophobicContact CD1-CG1 3.39Å; Y300-V316 HydrophobicContact CD1-CG2 3.86Å; Y300-V316 HydrophobicContact CE1-CB 4.04Å; Y300-V316 HydrophobicContact CE1-CG1 3.62Å; Y300-V316 HydrophobicContact CE1-CG2 3.15Å; Y300-V316 HydrophobicContact CE2-CG2 4.31Å; Y300-V316 HydrophobicContact CG-CG1 4.1Å; Y300-V316 VanDerWaalsContact CZ-CG2 3.4Å; Y300-V316 WeakPolarHBondContact OH-CG2 3.28Å
301	T	86.9	Confident	84.7	Confident	16 Å²	16	71.1 Å²	71.1	10%	0.098	34%	0.339	C	S	.	.	H	α-helix	trans	-61.2	-35.5	171.3	51.6	0	0	0	0	112	Y297 K298 K305 V316 K320	Y297-T301 VanDerWaalsContact O-CB 3.29Å; Y297-T301 WeakPolarHBondContact O-CB 3.14Å; Y297-T301 WeakPolarHBondContact O-CG2 3.44Å; Y297-T301 PolarHBondContact O-N 3.5Å; Y297-T301 PolarHBondContact O-OG1 2.96Å; K298-T301 PolarHBondContact O-OG1 3.47Å; K298-T301 VanDerWaalsContact O-OG1 3.05Å; T301-K305 VanDerWaalsContact O-CB 3.26Å; T301-K305 WeakPolarHBondContact O-CB 3.48Å; T301-K305 WeakPolarHBondContact O-CG 3.4Å; T301-K305 PolarHBondContact O-N 3.29Å; T301-V316 HydrophobicContact CG2-CG1 3.73Å; T301-K320 HydrophobicContact CG2-CD 3.99Å
302	L	89.7	Confident	84.7	Confident	91 Å²	91	66 Å²	66	48%	0.476	32%	0.315	S	S	.	.	H	α-helix	trans	-69.8	-37.5	174.7	-174.1	67.6	0	0	0	111.9	K298 A299 Y300 K306	K298-L302 WeakPolarHBondContact O-CB 3.16Å; K298-L302 PolarHBondContact O-N 3.27Å; K298-L302 VanDerWaalsContact O-N 3.15Å; A299-L302 WeakPolarHBondContact O-CB 3.4Å; A299-L302 PolarHBondContact O-N 2.87Å; Y300-L302 VanDerWaalsContact C-N 3.26Å; Y300-L302 PolarHBondContact O-N 3.44Å; L302-K306 VanDerWaalsContact O-CG 3.3Å; L302-K306 WeakPolarHBondContact O-CG 3.42Å; L302-K306 PolarHBondContact O-N 2.74Å
303	H	89.7	Confident	84.9	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.009	31%	0.306	C	S	.	.	H	α-helix	trans	-63.2	-52.2	175.2	179.9	70.6	0	0	0	111.6	Y274 Y281 A299 Y300 K305 K306 Y307	Y274-H303 PolarHBondContact O-NE2 3.08Å; Y281-H303 HydrophobicContact CD2-CB 4.18Å; Y281-H303 HydrophobicContact CE2-CB 3.52Å; Y281-H303 AromaticContact CE2-CG 3.62Å; A299-H303 PolarHBondContact O-N 3.2Å; Y300-H303 WeakPolarHBondContact O-CB 3.21Å; Y300-H303 PolarHBondContact O-N 3.44Å; Y300-H303 VanDerWaalsContact O-N 3.13Å; H303-K305 VanDerWaalsContact C-N 3.31Å; H303-K305 PolarHBondContact O-N 3.41Å; H303-K306 PolarHBondContact O-N 2.9Å; H303-Y307 AromaticContact CE1-CD2 3.82Å; H303-Y307 AromaticContact ND1-CD2 3.69Å; H303-Y307 PolarHBondContact O-N 3.46Å
304	E	88.4	Confident	85.1	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.009	32%	0.322	C	S	.	.	H	α-helix	trans	-64.6	-34.8	176.9	-69.4	-54.1	141.3	0	0	111.8	R278 Y300 K306 G308 I313 V316	R278-E304 VanDerWaalsContact CD-OE1 3.27Å; R278-E304 WeakPolarHBondContact CD-OE1 3.35Å; R278-E304 WeakPolarHBondContact CG-OE1 3.27Å; R278-E304 IonicContact CZ-OE1 3.81Å; R278-E304 IonicContact CZ-OE2 2.66Å; R278-E304 IonicContact NE-OE1 3.63Å; R278-E304 PolarHBondContact NE-OE1 3.37Å; R278-E304 IonicContact NE-OE2 3.9Å; R278-E304 PolarHBondContact NE-OE2 3.29Å; R278-E304 IonicContact NH2-OE2 3.73Å; R278-E304 PolarHBondContact NH2-OE2 3.23Å; Y300-E304 HydrophobicContact CD2-CG 4.18Å; Y300-E304 HydrophobicContact CE2-CG 3.81Å; Y300-E304 WeakPolarHBondContact CE2-OE1 3.09Å; Y300-E304 PolarHBondContact O-N 2.85Å; E304-K306 PolarHBondContact O-N 2.97Å; E304-G308 WeakPolarHBondContact O-CA 3.29Å; E304-G308 PolarHBondContact O-N 3.32Å; E304-G308 WeakPolarHBondContact OE2-CA 3.42Å; E304-I313 HydrophobicContact CB-CG1 3.94Å; E304-I313 WeakPolarHBondContact O-CD1 3.34Å; E304-I313 VanDerWaalsContact O-CG1 3.26Å; E304-I313 WeakPolarHBondContact O-CG1 3.29Å; E304-V316 HydrophobicContact CG-CG2 3.97Å
305	K	87.9	Confident	85.1	Confident	141 Å²	141	69 Å²	69	61%	0.613	33%	0.33	S	S	*	.	H	α-helix	trans	-63.4	-27.2	173.6	-80.1	177.4	179.5	-168.5	0	113.8	T301 H303	T301-K305 VanDerWaalsContact O-CB 3.26Å; T301-K305 WeakPolarHBondContact O-CB 3.48Å; T301-K305 WeakPolarHBondContact O-CG 3.4Å; T301-K305 PolarHBondContact O-N 3.29Å; H303-K305 VanDerWaalsContact C-N 3.31Å; H303-K305 PolarHBondContact O-N 3.41Å
306	K	87.8	Confident	84.8	Confident	107 Å²	107	63.5 Å²	63.5	47%	0.465	31%	0.305	S	S	.	.	H	α-helix	trans	-87.7	-39.8	179.9	-73	172.6	175.4	-179.7	0	112.9	E269 L302 H303 E304	E269-K306 IonicContact OE1-NZ 2.98Å; E269-K306 PolarHBondContact OE1-NZ 3.1Å; E269-K306 IonicContact OE2-NZ 2.98Å; L302-K306 VanDerWaalsContact O-CG 3.3Å; L302-K306 WeakPolarHBondContact O-CG 3.42Å; L302-K306 PolarHBondContact O-N 2.74Å; H303-K306 PolarHBondContact O-N 2.9Å; E304-K306 PolarHBondContact O-N 2.97Å
307	Y	87.2	Confident	84.6	Confident	78 Å²	78	65.8 Å²	65.8	31%	0.306	32%	0.316	S	S	.	.	H	α-helix	trans	-131.3	0.3	-170.2	-47.9	-76.8	0	0	0	114.3	E269 Y274 R278 H303	E269-Y307 HydrophobicContact CG-CD2 4.33Å; E269-Y307 HydrophobicContact CG-CE2 3.38Å; E269-Y307 WeakPolarHBondContact OE1-CE2 3.31Å; E269-Y307 PolarHBondContact OE1-OH 3.09Å; Y274-Y307 AromaticContact CD1-CD1 3.77Å; Y274-Y307 HydrophobicContact CD1-CD1 3.77Å; Y274-Y307 AromaticContact CD1-CD2 3.81Å; Y274-Y307 HydrophobicContact CD1-CD2 3.81Å; Y274-Y307 HydrophobicContact CD1-CE1 4.09Å; Y274-Y307 HydrophobicContact CD1-CE2 4.16Å; Y274-Y307 AromaticContact CD1-CG 3.6Å; Y274-Y307 HydrophobicContact CD1-CG 3.6Å; Y274-Y307 HydrophobicContact CD2-CD1 4.4Å; Y274-Y307 AromaticContact CE1-CD1 3.36Å; Y274-Y307 HydrophobicContact CE1-CD1 3.36Å; Y274-Y307 HydrophobicContact CE1-CD2 4Å; Y274-Y307 AromaticContact CE1-CE1 3.31Å; Y274-Y307 HydrophobicContact CE1-CE1 3.31Å; Y274-Y307 AromaticContact CE1-CE2 3.98Å; Y274-Y307 HydrophobicContact CE1-CE2 3.98Å; Y274-Y307 AromaticContact CE1-CG 3.71Å; Y274-Y307 HydrophobicContact CE1-CG 3.71Å; Y274-Y307 AromaticContact CE1-CZ 3.63Å; Y274-Y307 HydrophobicContact CE2-CD1 4.04Å; Y274-Y307 HydrophobicContact CG-CD1 4.27Å; Y274-Y307 HydrophobicContact CG-CG 4.06Å; Y274-Y307 AromaticContact CZ-CD1 3.5Å; Y274-Y307 AromaticContact CZ-CE1 3.55Å; R278-Y307 PolarHBondContact NH2-O 3.06Å; H303-Y307 AromaticContact CE1-CD2 3.82Å; H303-Y307 AromaticContact ND1-CD2 3.69Å; H303-Y307 PolarHBondContact O-N 3.46Å
308	G	81.1	Confident	84.5	Confident	19 Å²	19	65.9 Å²	65.9	20%	0.196	32%	0.319	C	S	.	.			trans	-78.8	149.1	-177.3	0	0	0	0	0	113.9	E304	E304-G308 WeakPolarHBondContact O-CA 3.29Å; E304-G308 PolarHBondContact O-N 3.32Å; E304-G308 WeakPolarHBondContact OE2-CA 3.42Å
309	D	83.7	Confident	84.2	Confident	115 Å²	115	61.8 Å²	61.8	62%	0.615	31%	0.306	S	S	*	.			trans	-73.6	157.1	163.3	-64.9	-33.4	0	0	0	109.3	L311 A312 I313	D309-L311 VanDerWaalsContact C-N 3.26Å; D309-L311 PolarHBondContact O-N 3.18Å; D309-A312 PolarHBondContact O-N 3.47Å; D309-A312 VanDerWaalsContact O-N 3.09Å; D309-I313 WeakPolarHBondContact O-CG1 3.32Å; D309-I313 PolarHBondContact O-N 3.41Å
310	R	82.6	Confident	83.9	Confident	193 Å²	193	64 Å²	64	73%	0.728	31%	0.314	S	S	*	.	H	α-helix	trans	-53.7	-43.3	-178.6	-177.1	176	175	170.3	0.5	112.8	I313 E314	R310-I313 PolarHBondContact O-N 3.06Å; R310-E314 WeakPolarHBondContact CG-OE1 3.25Å; R310-E314 IonicContact CZ-OE1 3.54Å; R310-E314 IonicContact NE-OE1 3.61Å; R310-E314 PolarHBondContact NE-OE1 3.41Å; R310-E314 IonicContact NH2-OE1 3.63Å; R310-E314 WeakPolarHBondContact O-CG 3.39Å; R310-E314 PolarHBondContact O-N 3.08Å
311	L	82	Confident	83.7	Confident	125 Å²	125	68.7 Å²	68.7	65%	0.654	33%	0.332	S	S	*	.	H	α-helix	trans	-64.8	-44	178.7	-64	174.9	0	0	0	111.9	D309 I313 E314 D315	D309-L311 VanDerWaalsContact C-N 3.26Å; D309-L311 PolarHBondContact O-N 3.18Å; L311-I313 VanDerWaalsContact C-N 3.31Å; L311-I313 PolarHBondContact O-N 3.09Å; L311-E314 PolarHBondContact O-N 3.07Å; L311-D315 VanDerWaalsContact O-CG 3.32Å; L311-D315 PolarHBondContact O-N 3.36Å
312	A	77.9	Confident	83.7	Confident	25 Å²	25	70 Å²	70	21%	0.207	34%	0.336	C	S	.	.	H	α-helix	trans	-64.3	-38	177.8	0	0	0	0	0	111.8	D309 V316	D309-A312 PolarHBondContact O-N 3.47Å; D309-A312 VanDerWaalsContact O-N 3.09Å; A312-V316 VanDerWaalsContact O-CG2 3.27Å; A312-V316 WeakPolarHBondContact O-CG2 3.25Å; A312-V316 PolarHBondContact O-N 3.24Å; A312-V316 VanDerWaalsContact O-N 3.14Å
313	I	80.4	Confident	83.3	Confident	40 Å²	40	67.6 Å²	67.6	21%	0.205	32%	0.322	C	S	.	.	H	α-helix	trans	-63.1	-45.8	174	-65.3	163.7	0	0	0	110.3	E304 D309 R310 L311 V316 I317	E304-I313 HydrophobicContact CB-CG1 3.94Å; E304-I313 WeakPolarHBondContact O-CD1 3.34Å; E304-I313 VanDerWaalsContact O-CG1 3.26Å; E304-I313 WeakPolarHBondContact O-CG1 3.29Å; D309-I313 WeakPolarHBondContact O-CG1 3.32Å; D309-I313 PolarHBondContact O-N 3.41Å; R310-I313 PolarHBondContact O-N 3.06Å; L311-I313 VanDerWaalsContact C-N 3.31Å; L311-I313 PolarHBondContact O-N 3.09Å; I313-V316 PolarHBondContact O-N 3.05Å; I313-I317 HydrophobicContact CG2-CD1 3.54Å; I313-I317 HydrophobicContact CG2-CG1 4.34Å; I313-I317 WeakPolarHBondContact O-CB 3.28Å; I313-I317 WeakPolarHBondContact O-CD1 3.1Å; I313-I317 WeakPolarHBondContact O-CG1 3.27Å; I313-I317 PolarHBondContact O-N 2.96Å
314	E	81.7	Confident	83.1	Confident	79 Å²	79	71.3 Å²	71.3	37%	0.369	34%	0.339	S	S	.	.	H	α-helix	trans	-59.9	-49.9	177.9	-75.4	170.2	-172.5	0	0	110.5	R310 L311 V316 I317 L318	R310-E314 WeakPolarHBondContact CG-OE1 3.25Å; R310-E314 IonicContact CZ-OE1 3.54Å; R310-E314 IonicContact NE-OE1 3.61Å; R310-E314 PolarHBondContact NE-OE1 3.41Å; R310-E314 IonicContact NH2-OE1 3.63Å; R310-E314 WeakPolarHBondContact O-CG 3.39Å; R310-E314 PolarHBondContact O-N 3.08Å; L311-E314 PolarHBondContact O-N 3.07Å; E314-V316 VanDerWaalsContact C-N 3.35Å; E314-V316 PolarHBondContact O-N 3.05Å; E314-I317 CarbonylContact O-C 3.55Å; E314-I317 PolarHBondContact O-N 3.04Å; E314-I317 VanDerWaalsContact O-N 3.1Å; E314-L318 VanDerWaalsContact O-CG 3.27Å; E314-L318 WeakPolarHBondContact O-CG 3.5Å; E314-L318 PolarHBondContact O-N 3.28Å
315	D	80.9	Confident	83	Confident	106 Å²	106	73.4 Å²	73.4	57%	0.567	35%	0.347	S	S	*	.	H	α-helix	trans	-56.3	-44.4	178.6	-70.4	-16.5	0	0	0	113.1	L311 L318 S319	L311-D315 VanDerWaalsContact O-CG 3.32Å; L311-D315 PolarHBondContact O-N 3.36Å; D315-L318 PolarHBondContact O-N 3.47Å; D315-S319 PolarHBondContact O-N 3.25Å
316	V	79	Confident	82.9	Confident	6 Å²	6	68.6 Å²	68.6	4%	0.036	33%	0.327	C	S	.	.	H	α-helix	trans	-72	-32.4	179.8	178.5	0	0	0	0	112	Y300 T301 E304 A312 I313 E314 S319 K320	Y300-V316 HydrophobicContact CD1-CB 4.32Å; Y300-V316 HydrophobicContact CD1-CG1 3.39Å; Y300-V316 HydrophobicContact CD1-CG2 3.86Å; Y300-V316 HydrophobicContact CE1-CB 4.04Å; Y300-V316 HydrophobicContact CE1-CG1 3.62Å; Y300-V316 HydrophobicContact CE1-CG2 3.15Å; Y300-V316 HydrophobicContact CE2-CG2 4.31Å; Y300-V316 HydrophobicContact CG-CG1 4.1Å; Y300-V316 VanDerWaalsContact CZ-CG2 3.4Å; Y300-V316 WeakPolarHBondContact OH-CG2 3.28Å; T301-V316 HydrophobicContact CG2-CG1 3.73Å; E304-V316 HydrophobicContact CG-CG2 3.97Å; A312-V316 VanDerWaalsContact O-CG2 3.27Å; A312-V316 WeakPolarHBondContact O-CG2 3.25Å; A312-V316 PolarHBondContact O-N 3.24Å; A312-V316 VanDerWaalsContact O-N 3.14Å; I313-V316 PolarHBondContact O-N 3.05Å; E314-V316 VanDerWaalsContact C-N 3.35Å; E314-V316 PolarHBondContact O-N 3.05Å; V316-S319 PolarHBondContact O-OG 3.29Å; V316-K320 WeakPolarHBondContact O-CB 3.37Å; V316-K320 PolarHBondContact O-N 2.89Å
317	I	82.4	Confident	82.8	Confident	48 Å²	48	67 Å²	67	25%	0.246	32%	0.321	C	S	.	.	H	α-helix	trans	-68.8	-43.1	173	-70.7	168.9	0	0	0	110	I313 E314 K320 R321	I313-I317 HydrophobicContact CG2-CD1 3.54Å; I313-I317 HydrophobicContact CG2-CG1 4.34Å; I313-I317 WeakPolarHBondContact O-CB 3.28Å; I313-I317 WeakPolarHBondContact O-CD1 3.1Å; I313-I317 WeakPolarHBondContact O-CG1 3.27Å; I313-I317 PolarHBondContact O-N 2.96Å; E314-I317 CarbonylContact O-C 3.55Å; E314-I317 PolarHBondContact O-N 3.04Å; E314-I317 VanDerWaalsContact O-N 3.1Å; I317-K320 PolarHBondContact O-N 3.34Å; I317-R321 HydrophobicContact CG2-CG 4.29Å; I317-R321 WeakPolarHBondContact O-CB 3.38Å; I317-R321 VanDerWaalsContact O-CG 3.31Å; I317-R321 WeakPolarHBondContact O-CG 3.34Å; I317-R321 PolarHBondContact O-N 3.37Å
318	L	82.6	Confident	82.8	Confident	37 Å²	37	67.8 Å²	67.8	19%	0.194	33%	0.328	C	S	.	.	H	α-helix	trans	-59.9	-48.6	176	-68.8	177.5	0	0	0	110.3	E314 D315 K320 R321 K322 L345	E314-L318 VanDerWaalsContact O-CG 3.27Å; E314-L318 WeakPolarHBondContact O-CG 3.5Å; E314-L318 PolarHBondContact O-N 3.28Å; D315-L318 PolarHBondContact O-N 3.47Å; L318-K320 VanDerWaalsContact C-N 3.32Å; L318-K320 PolarHBondContact O-N 3.26Å; L318-R321 PolarHBondContact O-N 2.92Å; L318-K322 WeakPolarHBondContact O-CG 3.39Å; L318-K322 PolarHBondContact O-N 3.38Å; L318-L345 HydrophobicContact CD2-CD1 3.39Å; L318-L345 HydrophobicContact CD2-CG 4.15Å
319	S	80.5	Confident	83.1	Confident	41 Å²	41	67.2 Å²	67.2	29%	0.287	32%	0.32	S	S	.	.	H	α-helix	trans	-60.7	-40.9	178.2	73.1	0	0	0	0	112.4	D315 V316 F323	D315-S319 PolarHBondContact O-N 3.25Å; V316-S319 PolarHBondContact O-OG 3.29Å; S319-F323 PolarHBondContact O-N 3.03Å; S319-F323 VanDerWaalsContact O-N 3.11Å
320	K	81.3	Confident	83.3	Confident	59 Å²	59	67.5 Å²	67.5	26%	0.257	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-45.5	175.5	179.7	-177.8	173.3	-173.1	0	111.6	Y297 T301 V316 I317 L318 F323 Q324	Y297-K320 HydrophobicContact CD1-CB 4.29Å; T301-K320 HydrophobicContact CG2-CD 3.99Å; V316-K320 WeakPolarHBondContact O-CB 3.37Å; V316-K320 PolarHBondContact O-N 2.89Å; I317-K320 PolarHBondContact O-N 3.34Å; L318-K320 VanDerWaalsContact C-N 3.32Å; L318-K320 PolarHBondContact O-N 3.26Å; K320-F323 PolarHBondContact O-N 3.4Å; K320-Q324 WeakPolarHBondContact O-CG 3.21Å; K320-Q324 PolarHBondContact O-N 2.86Å
321	R	85	Confident	83.5	Confident	113 Å²	113	61.6 Å²	61.6	43%	0.426	31%	0.311	S	S	.	.	H	α-helix	trans	-62.6	-42.7	178.6	-76.4	178.4	179.5	177	0.8	111.4	I317 L318 F323 Q324 Y325 L345	I317-R321 HydrophobicContact CG2-CG 4.29Å; I317-R321 WeakPolarHBondContact O-CB 3.38Å; I317-R321 VanDerWaalsContact O-CG 3.31Å; I317-R321 WeakPolarHBondContact O-CG 3.34Å; I317-R321 PolarHBondContact O-N 3.37Å; L318-R321 PolarHBondContact O-N 2.92Å; R321-F323 VanDerWaalsContact C-N 3.35Å; R321-F323 PolarHBondContact O-N 2.9Å; R321-Q324 PolarHBondContact O-N 2.93Å; R321-Y325 HydrophobicContact CB-CD2 4.48Å; R321-Y325 HydrophobicContact CB-CE2 4.19Å; R321-Y325 VanDerWaalsContact O-CD2 3.28Å; R321-Y325 WeakPolarHBondContact O-CD2 3.45Å; R321-Y325 PolarHBondContact O-N 3.1Å; R321-L345 HydrophobicContact CB-CD1 4.44Å; R321-L345 HydrophobicContact CB-CD2 3.84Å
322	K	85.4	Confident	83.8	Confident	43 Å²	43	61 Å²	61	19%	0.187	31%	0.308	C	S	.	.	H	α-helix	trans	-56.1	-48.2	173.4	-72.9	-178.6	-177.2	-172	0	111.8	L318 Q324 Y325 E326 Y342 L345 M346 E349	L318-K322 WeakPolarHBondContact O-CG 3.39Å; L318-K322 PolarHBondContact O-N 3.38Å; K322-Q324 VanDerWaalsContact C-N 3.33Å; K322-Q324 PolarHBondContact O-N 3.01Å; K322-Y325 PolarHBondContact O-N 2.84Å; K322-E326 VanDerWaalsContact O-CB 3.25Å; K322-E326 WeakPolarHBondContact O-CB 3.38Å; K322-E326 PolarHBondContact O-N 2.82Å; K322-Y342 HydrophobicContact CG-CE2 4.41Å; K322-L345 HydrophobicContact CG-CD2 3.64Å; K322-M346 HydrophobicContact CD-SD 4.18Å; K322-M346 VanDerWaalsContact CE-SD 3.57Å; K322-M346 HydrophobicContact CG-SD 4.33Å; K322-E349 VanDerWaalsContact CE-OE2 3.25Å; K322-E349 WeakPolarHBondContact CE-OE2 3.42Å; K322-E349 IonicContact NZ-OE1 2.95Å; K322-E349 PolarHBondContact NZ-OE1 2.98Å; K322-E349 IonicContact NZ-OE2 2.94Å; K322-E349 PolarHBondContact NZ-OE2 3.4Å
323	F	82	Confident	84.2	Confident	40 Å²	40	62 Å²	62	18%	0.175	31%	0.312	C	S	.	.	H	α-helix	trans	-60.7	-42.6	177.5	-177.5	-95.8	0	0	0	112	K290 Q294 Y297 S319 K320 R321 E326 E327	K290-F323 HydrophobicContact CB-CE2 4.36Å; K290-F323 HydrophobicContact CB-CZ 4.42Å; Q294-F323 HydrophobicContact CG-CE1 4.32Å; Y297-F323 HydrophobicContact CE2-CB 4.43Å; Y297-F323 HydrophobicContact CE2-CD1 4.44Å; Y297-F323 HydrophobicContact CE2-CG 4.2Å; S319-F323 PolarHBondContact O-N 3.03Å; S319-F323 VanDerWaalsContact O-N 3.11Å; K320-F323 PolarHBondContact O-N 3.4Å; R321-F323 VanDerWaalsContact C-N 3.35Å; R321-F323 PolarHBondContact O-N 2.9Å; F323-E326 PolarHBondContact O-N 3.29Å; F323-E327 HydrophobicContact CD1-CG 4.38Å; F323-E327 HydrophobicContact CE1-CG 3.96Å; F323-E327 WeakPolarHBondContact CE1-OE1 3.4Å; F323-E327 HydrophobicContact CZ-CG 4.16Å; F323-E327 VanDerWaalsContact CZ-OE1 3.27Å; F323-E327 WeakPolarHBondContact CZ-OE1 3.19Å; F323-E327 PolarHBondContact O-N 3.02Å
324	Q	85	Confident	84.4	Confident	80 Å²	80	65 Å²	65	37%	0.374	33%	0.325	S	S	.	.	H	α-helix	trans	-64.1	-47.5	177.2	-71.2	178.2	-39.1	0	0	112.4	K320 R321 K322 E326 E327 E328	K320-Q324 WeakPolarHBondContact O-CG 3.21Å; K320-Q324 PolarHBondContact O-N 2.86Å; R321-Q324 PolarHBondContact O-N 2.93Å; K322-Q324 VanDerWaalsContact C-N 3.33Å; K322-Q324 PolarHBondContact O-N 3.01Å; Q324-E326 VanDerWaalsContact C-N 3.28Å; Q324-E326 PolarHBondContact O-N 2.94Å; Q324-E327 PolarHBondContact O-N 3.39Å; Q324-E328 WeakPolarHBondContact O-CB 3.36Å; Q324-E328 WeakPolarHBondContact O-CG 3.49Å; Q324-E328 PolarHBondContact O-N 3.18Å
325	Y	87.1	Confident	84.7	Confident	47 Å²	47	64.6 Å²	64.6	18%	0.184	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-37.1	176.5	-67.1	-40.5	0	0	0	111.7	R321 K322 E328 V329 V338 D341 Y342 L345	R321-Y325 HydrophobicContact CB-CD2 4.48Å; R321-Y325 HydrophobicContact CB-CE2 4.19Å; R321-Y325 VanDerWaalsContact O-CD2 3.28Å; R321-Y325 WeakPolarHBondContact O-CD2 3.45Å; R321-Y325 PolarHBondContact O-N 3.1Å; K322-Y325 PolarHBondContact O-N 2.84Å; Y325-E328 PolarHBondContact O-N 3.49Å; Y325-V329 VanDerWaalsContact O-CB 3.22Å; Y325-V329 WeakPolarHBondContact O-CB 3.31Å; Y325-V329 WeakPolarHBondContact O-CG2 3.31Å; Y325-V329 PolarHBondContact O-N 2.95Å; Y325-V338 HydrophobicContact CD1-CG1 4.11Å; Y325-D341 HydrophobicContact CE1-CB 4.28Å; Y325-Y342 HydrophobicContact CD2-CD2 4.06Å; Y325-Y342 HydrophobicContact CD2-CG 4.44Å; Y325-Y342 HydrophobicContact CG-CD2 4.45Å; Y325-Y342 HydrophobicContact CG-CG 4.49Å; Y325-L345 HydrophobicContact CD2-CD2 3.88Å; Y325-L345 HydrophobicContact CE2-CB 4.39Å; Y325-L345 HydrophobicContact CE2-CD2 3.88Å
326	E	86.2	Confident	84.9	Confident	40 Å²	40	60.5 Å²	60.5	19%	0.187	30%	0.302	C	S	.	.	H	α-helix	trans	-64.8	-41.3	175.8	-169.9	61.9	-143.1	0	0	112	K322 F323 Q324 Q330 Y342 R361	K322-E326 VanDerWaalsContact O-CB 3.25Å; K322-E326 WeakPolarHBondContact O-CB 3.38Å; K322-E326 PolarHBondContact O-N 2.82Å; F323-E326 PolarHBondContact O-N 3.29Å; Q324-E326 VanDerWaalsContact C-N 3.28Å; Q324-E326 PolarHBondContact O-N 2.94Å; E326-Q330 WeakPolarHBondContact O-CB 3.22Å; E326-Q330 VanDerWaalsContact O-CG 3.22Å; E326-Q330 WeakPolarHBondContact O-CG 3.42Å; E326-Q330 PolarHBondContact O-N 3.22Å; E326-Q330 PolarHBondContact OE1-NE2 3.34Å; E326-Y342 PolarHBondContact OE2-OH 2.93Å; E326-Y342 VanDerWaalsContact OE2-OH 3.1Å; E326-R361 VanDerWaalsContact CD-NH2 3.27Å; E326-R361 IonicContact OE1-CZ 3.23Å; E326-R361 IonicContact OE1-NH1 3.7Å; E326-R361 IonicContact OE1-NH2 2.69Å; E326-R361 PolarHBondContact OE1-NH2 2.94Å; E326-R361 IonicContact OE2-CZ 3.99Å; E326-R361 IonicContact OE2-NH1 3.92Å; E326-R361 PolarHBondContact OE2-NH1 3.31Å; E326-R361 IonicContact OE2-NH2 3.28Å; E326-R361 PolarHBondContact OE2-NH2 2.9Å; E326-R361 VanDerWaalsContact OE2-NH2 3.1Å
327	E	84.3	Confident	85.4	Confident	72 Å²	72	63.7 Å²	63.7	34%	0.336	32%	0.319	S	S	.	.	H	α-helix	trans	-63.6	-44.8	171.5	-75.8	-173.3	151.7	0	0	112	Q294 F323 Q324 Q330 A331	Q294-E327 PolarHBondContact NE2-OE1 2.61Å; F323-E327 HydrophobicContact CD1-CG 4.38Å; F323-E327 HydrophobicContact CE1-CG 3.96Å; F323-E327 WeakPolarHBondContact CE1-OE1 3.4Å; F323-E327 HydrophobicContact CZ-CG 4.16Å; F323-E327 VanDerWaalsContact CZ-OE1 3.27Å; F323-E327 WeakPolarHBondContact CZ-OE1 3.19Å; F323-E327 PolarHBondContact O-N 3.02Å; Q324-E327 PolarHBondContact O-N 3.39Å; E327-Q330 PolarHBondContact O-N 3.32Å; E327-A331 WeakPolarHBondContact O-CB 3.35Å; E327-A331 PolarHBondContact O-N 2.68Å
328	E	87.3	Confident	85.7	Confident	96 Å²	96	62.1 Å²	62.1	45%	0.449	31%	0.312	S	S	.	.	H	α-helix	trans	-64.9	-40.3	179.7	-74.6	178.4	-173.1	0	0	112.3	Q324 Y325 A331 N332 V338	Q324-E328 WeakPolarHBondContact O-CB 3.36Å; Q324-E328 WeakPolarHBondContact O-CG 3.49Å; Q324-E328 PolarHBondContact O-N 3.18Å; Y325-E328 PolarHBondContact O-N 3.49Å; E328-A331 PolarHBondContact O-N 2.97Å; E328-N332 PolarHBondContact O-N 3.36Å; E328-V338 HydrophobicContact CB-CG1 4.02Å
329	V	88.4	Confident	86.2	Confident	6 Å²	6	60.5 Å²	60.5	4%	0.036	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-43.3	174.3	161.4	0	0	0	0	111	Y325 A331 N332 P333 V338 W339 Y342	Y325-V329 VanDerWaalsContact O-CB 3.22Å; Y325-V329 WeakPolarHBondContact O-CB 3.31Å; Y325-V329 WeakPolarHBondContact O-CG2 3.31Å; Y325-V329 PolarHBondContact O-N 2.95Å; V329-A331 VanDerWaalsContact C-N 3.33Å; V329-N332 CarbonylContact O-C 3.56Å; V329-N332 PolarHBondContact O-N 3.14Å; V329-P333 WeakPolarHBondContact O-CA 3.4Å; V329-P333 WeakPolarHBondContact O-CD 3.22Å; V329-P333 WeakPolarHBondContact O-CG 3.17Å; V329-V338 HydrophobicContact CG2-CG1 3.89Å; V329-W339 HydrophobicContact CB-CH2 4.41Å; V329-W339 HydrophobicContact CB-CZ2 4.24Å; V329-W339 HydrophobicContact CG1-CH2 3.34Å; V329-W339 HydrophobicContact CG1-CZ2 3.21Å; V329-W339 HydrophobicContact CG1-CZ3 4.17Å; V329-W339 HydrophobicContact CG2-CD2 4.11Å; V329-W339 HydrophobicContact CG2-CE3 4.2Å; V329-W339 HydrophobicContact CG2-CH2 4.14Å; V329-W339 HydrophobicContact CG2-CZ2 4.01Å; V329-W339 HydrophobicContact CG2-CZ3 4.23Å; V329-Y342 HydrophobicContact CG2-CD1 4.39Å
330	Q	86.7	Confident	86.6	Confident	121 Å²	121	59.3 Å²	59.3	57%	0.565	29%	0.293	S	S	*	.	H	α-helix	trans	-66.1	-36.6	176.9	-75.3	174.3	22.3	0	0	111.9	E326 E327	E326-Q330 WeakPolarHBondContact O-CB 3.22Å; E326-Q330 VanDerWaalsContact O-CG 3.22Å; E326-Q330 WeakPolarHBondContact O-CG 3.42Å; E326-Q330 PolarHBondContact O-N 3.22Å; E326-Q330 PolarHBondContact OE1-NE2 3.34Å; E327-Q330 PolarHBondContact O-N 3.32Å
331	A	88.2	Confident	86.9	Confident	70 Å²	70	59.7 Å²	59.7	58%	0.579	30%	0.298	S	S	*	.	H	α-helix	trans	-67.9	-46.3	175.7	0	0	0	0	0	112.2	E327 E328 V329	E327-A331 WeakPolarHBondContact O-CB 3.35Å; E327-A331 PolarHBondContact O-N 2.68Å; E328-A331 PolarHBondContact O-N 2.97Å; V329-A331 VanDerWaalsContact C-N 3.33Å
332	N	86.8	Confident	87.1	Confident	112 Å²	112	55.1 Å²	55.1	60%	0.599	28%	0.28	S	S	*	.			trans	-138.7	85.3	-176.5	-73.4	-43.3	0	0	0	112.7	E328 V329 H334 N335	E328-N332 PolarHBondContact O-N 3.36Å; V329-N332 CarbonylContact O-C 3.56Å; V329-N332 PolarHBondContact O-N 3.14Å; N332-H334 PolarHBondContact O-N 2.84Å; N332-H334 VanDerWaalsContact O-N 3.1Å; N332-N335 HydrophobicContact CB-CB 4.5Å; N332-N335 PolarHBondContact O-N 3.3Å
333	P	88.1	Confident	87.2	Confident	45 Å²	45	53.2 Å²	53.2	29%	0.292	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.9	-176.9	-25.1	33.9	0	0	0	115.2	V329 W339	V329-P333 WeakPolarHBondContact O-CA 3.4Å; V329-P333 WeakPolarHBondContact O-CD 3.22Å; V329-P333 WeakPolarHBondContact O-CG 3.17Å; P333-W339 PolarHBondContact O-NE1 3.18Å
334	H	83.1	Confident	87.5	Confident	103 Å²	103	57.5 Å²	57.5	48%	0.477	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-1.6	-177.6	-61.4	-56.8	0	0	0	114.2	N332 Y336	N332-H334 PolarHBondContact O-N 2.84Å; N332-H334 VanDerWaalsContact O-N 3.1Å; H334-Y336 WeakPolarHBondContact O-CD2 3.44Å; H334-Y336 PolarHBondContact O-N 2.86Å; H334-Y336 VanDerWaalsContact O-N 3.12Å
335	N	87.5	Confident	87.6	Confident	71 Å²	71	54 Å²	54	38%	0.38	27%	0.271	S	S	.	.			trans	-80.8	90.9	175.5	-171.7	-2.8	0	0	0	110.7	N332 D337 V338 W339	N332-N335 HydrophobicContact CB-CB 4.5Å; N332-N335 PolarHBondContact O-N 3.3Å; N335-D337 PolarHBondContact O-N 2.65Å; N335-D337 PolarHBondContact OD1-N 3.47Å; N335-V338 HydrophobicContact CB-CG2 4.28Å; N335-V338 VanDerWaalsContact ND2-CG2 3.34Å; N335-V338 WeakPolarHBondContact ND2-CG2 3.22Å; N335-V338 PolarHBondContact O-N 2.93Å; N335-W339 VanDerWaalsContact O-CD1 3.27Å
336	Y	86.8	Confident	87.5	Confident	21 Å²	21	51.9 Å²	51.9	8%	0.082	26%	0.263	C	S	.	.	H	α-helix	trans	-64.1	-22.4	-178.8	-58.6	-62.9	0	0	0	114.3	H334 W339 F340 N365 P367 R377 Y378	H334-Y336 WeakPolarHBondContact O-CD2 3.44Å; H334-Y336 PolarHBondContact O-N 2.86Å; H334-Y336 VanDerWaalsContact O-N 3.12Å; Y336-W339 WeakPolarHBondContact O-CB 3.44Å; Y336-W339 PolarHBondContact O-N 3Å; Y336-F340 WeakPolarHBondContact O-CD2 3.41Å; Y336-F340 PolarHBondContact O-N 3.17Å; Y336-N365 WeakPolarHBondContact CE1-O 3.36Å; Y336-N365 PolarHBondContact OH-O 3.36Å; Y336-P367 HydrophobicContact CE2-CG 4.19Å; Y336-P367 WeakPolarHBondContact OH-CA 3.23Å; Y336-P367 WeakPolarHBondContact OH-CD 3.36Å; Y336-P367 VanDerWaalsContact OH-CG 3.22Å; Y336-P367 WeakPolarHBondContact OH-CG 3.2Å; Y336-R377 HydrophobicContact CD2-CB 4.04Å; Y336-R377 HydrophobicContact CG-CB 4.26Å; Y336-Y378 HydrophobicContact CD1-CD2 4.4Å; Y336-Y378 AromaticContact CE1-CD2 3.65Å; Y336-Y378 HydrophobicContact CE1-CD2 3.65Å; Y336-Y378 HydrophobicContact CE1-CG 4.43Å; Y336-Y378 AromaticContact CZ-CD2 3.93Å
337	D	89	Confident	87.5	Confident	72 Å²	72	53.5 Å²	53.5	39%	0.385	27%	0.271	S	S	.	.	H	α-helix	trans	-69.5	-38.8	178.9	-66	-40.2	0	0	0	111.3	N335 W339 F340 D341 R377	N335-D337 PolarHBondContact O-N 2.65Å; N335-D337 PolarHBondContact OD1-N 3.47Å; D337-W339 VanDerWaalsContact C-N 3.3Å; D337-W339 PolarHBondContact O-N 3.47Å; D337-F340 PolarHBondContact O-N 3.31Å; D337-F340 VanDerWaalsContact O-N 3.16Å; D337-D341 PolarHBondContact O-N 3.07Å; D337-D341 VanDerWaalsContact O-N 3.1Å; D337-R377 IonicContact OD1-CZ 3.25Å; D337-R377 IonicContact OD1-NE 3.98Å; D337-R377 IonicContact OD1-NH1 2.91Å; D337-R377 IonicContact OD1-NH2 3.54Å
338	V	89.1	Confident	87.5	Confident	15 Å²	15	57 Å²	57	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-62.4	-38.9	172.1	177.8	0	0	0	0	110.9	Y325 E328 V329 N335 F340 D341 Y342	Y325-V338 HydrophobicContact CD1-CG1 4.11Å; E328-V338 HydrophobicContact CB-CG1 4.02Å; V329-V338 HydrophobicContact CG2-CG1 3.89Å; N335-V338 HydrophobicContact CB-CG2 4.28Å; N335-V338 VanDerWaalsContact ND2-CG2 3.34Å; N335-V338 WeakPolarHBondContact ND2-CG2 3.22Å; N335-V338 PolarHBondContact O-N 2.93Å; V338-F340 PolarHBondContact O-N 3.48Å; V338-D341 PolarHBondContact O-N 3.28Å; V338-Y342 VanDerWaalsContact O-CB 3.29Å; V338-Y342 WeakPolarHBondContact O-CB 3.26Å; V338-Y342 PolarHBondContact O-N 3.45Å
339	W	91.5	Very high	87.1	Confident	3 Å²	3	56.5 Å²	56.5	1%	0.011	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-38.6	174.9	-71.5	109.2	0	0	0	112.7	V329 P333 N335 Y336 D337 Y342 V343 I358 R361 A362 N365 L381	V329-W339 HydrophobicContact CB-CH2 4.41Å; V329-W339 HydrophobicContact CB-CZ2 4.24Å; V329-W339 HydrophobicContact CG1-CH2 3.34Å; V329-W339 HydrophobicContact CG1-CZ2 3.21Å; V329-W339 HydrophobicContact CG1-CZ3 4.17Å; V329-W339 HydrophobicContact CG2-CD2 4.11Å; V329-W339 HydrophobicContact CG2-CE3 4.2Å; V329-W339 HydrophobicContact CG2-CH2 4.14Å; V329-W339 HydrophobicContact CG2-CZ2 4.01Å; V329-W339 HydrophobicContact CG2-CZ3 4.23Å; P333-W339 PolarHBondContact O-NE1 3.18Å; N335-W339 VanDerWaalsContact O-CD1 3.27Å; Y336-W339 WeakPolarHBondContact O-CB 3.44Å; Y336-W339 PolarHBondContact O-N 3Å; D337-W339 VanDerWaalsContact C-N 3.3Å; D337-W339 PolarHBondContact O-N 3.47Å; W339-Y342 HydrophobicContact CE3-CD1 4.2Å; W339-Y342 HydrophobicContact CZ3-CD1 4.17Å; W339-V343 VanDerWaalsContact O-CB 3.28Å; W339-V343 WeakPolarHBondContact O-CB 3.42Å; W339-V343 WeakPolarHBondContact O-CG2 3.46Å; W339-V343 PolarHBondContact O-N 3.11Å; W339-I358 HydrophobicContact CE3-CG2 4.28Å; W339-I358 HydrophobicContact CZ3-CG2 4.19Å; W339-R361 HydrophobicContact CH2-CB 3.84Å; W339-R361 HydrophobicContact CZ3-CB 4.09Å; W339-A362 HydrophobicContact CB-CB 4.14Å; W339-A362 HydrophobicContact CD2-CB 3.48Å; W339-A362 VanDerWaalsContact CD2-CB 3.48Å; W339-A362 HydrophobicContact CE3-CB 3.35Å; W339-A362 HydrophobicContact CG-CB 3.87Å; W339-A362 HydrophobicContact CH2-CB 4.43Å; W339-A362 HydrophobicContact CZ3-CB 3.86Å; W339-N365 WeakPolarHBondContact CZ2-ND2 3.26Å; W339-L381 HydrophobicContact CB-CD1 4.41Å
340	F	89.8	Confident	86.6	Confident	16 Å²	16	58.6 Å²	58.6	7%	0.07	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-43.8	175.3	-72.9	-58.1	0	0	0	111.8	Y336 D337 V338 R344 R377 L381 N384	Y336-F340 WeakPolarHBondContact O-CD2 3.41Å; Y336-F340 PolarHBondContact O-N 3.17Å; D337-F340 PolarHBondContact O-N 3.31Å; D337-F340 VanDerWaalsContact O-N 3.16Å; V338-F340 PolarHBondContact O-N 3.48Å; F340-R344 VanDerWaalsContact O-CG 3.28Å; F340-R344 WeakPolarHBondContact O-CG 3.38Å; F340-R344 PolarHBondContact O-N 2.75Å; F340-R377 HydrophobicContact CE2-CB 4.35Å; F340-R377 WeakPolarHBondContact CZ-O 3.11Å; F340-L381 HydrophobicContact CD1-CD1 4.47Å; F340-L381 HydrophobicContact CE1-CB 4.17Å; F340-L381 HydrophobicContact CE1-CD1 4.25Å; F340-L381 HydrophobicContact CZ-CB 4.2Å; F340-N384 WeakPolarHBondContact CE1-ND2 3.44Å
341	D	88.2	Confident	86.4	Confident	68 Å²	68	54.6 Å²	54.6	36%	0.364	29%	0.293	S	S	.	.	H	α-helix	trans	-70.1	-38.6	179.5	-67.6	-23.8	0	0	0	111.6	Y325 D337 V338 R344 L345	Y325-D341 HydrophobicContact CE1-CB 4.28Å; D337-D341 PolarHBondContact O-N 3.07Å; D337-D341 VanDerWaalsContact O-N 3.1Å; V338-D341 PolarHBondContact O-N 3.28Å; D341-R344 PolarHBondContact O-N 2.84Å; D341-R344 IonicContact OD1-NH1 2.62Å; D341-L345 PolarHBondContact O-N 3.49Å
342	Y	88.6	Confident	86.2	Confident	16 Å²	16	54.7 Å²	54.7	6%	0.063	28%	0.283	C	S	.	.	H	α-helix	trans	-64.7	-45.3	176	-172	-162.5	0	0	0	111.6	K322 Y325 E326 V329 V338 W339 R344 L345 M346 I358	K322-Y342 HydrophobicContact CG-CE2 4.41Å; Y325-Y342 HydrophobicContact CD2-CD2 4.06Å; Y325-Y342 HydrophobicContact CD2-CG 4.44Å; Y325-Y342 HydrophobicContact CG-CD2 4.45Å; Y325-Y342 HydrophobicContact CG-CG 4.49Å; E326-Y342 PolarHBondContact OE2-OH 2.93Å; E326-Y342 VanDerWaalsContact OE2-OH 3.1Å; V329-Y342 HydrophobicContact CG2-CD1 4.39Å; V338-Y342 VanDerWaalsContact O-CB 3.29Å; V338-Y342 WeakPolarHBondContact O-CB 3.26Å; V338-Y342 PolarHBondContact O-N 3.45Å; W339-Y342 HydrophobicContact CE3-CD1 4.2Å; W339-Y342 HydrophobicContact CZ3-CD1 4.17Å; Y342-R344 PolarHBondContact O-N 3.35Å; Y342-L345 WeakPolarHBondContact O-CB 3.46Å; Y342-L345 PolarHBondContact O-N 3.16Å; Y342-M346 HydrophobicContact CD2-CG 4.06Å; Y342-M346 HydrophobicContact CD2-SD 4.48Å; Y342-M346 HydrophobicContact CE2-CG 4.04Å; Y342-M346 HydrophobicContact CE2-SD 3.94Å; Y342-M346 WeakPolarHBondContact O-CG 3.45Å; Y342-M346 PolarHBondContact O-N 3.41Å; Y342-I358 HydrophobicContact CD1-CD1 4.44Å; Y342-I358 HydrophobicContact CD1-CG2 3.72Å; Y342-I358 HydrophobicContact CD2-CD1 4.32Å; Y342-I358 HydrophobicContact CE1-CD1 3.88Å; Y342-I358 HydrophobicContact CE1-CG1 3.99Å; Y342-I358 HydrophobicContact CE1-CG2 4Å; Y342-I358 HydrophobicContact CE2-CD1 3.7Å; Y342-I358 HydrophobicContact CG-CG2 4.16Å; Y342-I358 VanDerWaalsContact CZ-CD1 3.48Å
343	V	88.5	Confident	86.1	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.018	29%	0.29	C	S	.	.	H	α-helix	trans	-60	-45.4	175.5	162.8	0	0	0	0	111.2	W339 L345 M346 E347 I358 Y359	W339-V343 VanDerWaalsContact O-CB 3.28Å; W339-V343 WeakPolarHBondContact O-CB 3.42Å; W339-V343 WeakPolarHBondContact O-CG2 3.46Å; W339-V343 PolarHBondContact O-N 3.11Å; V343-L345 VanDerWaalsContact C-N 3.31Å; V343-L345 PolarHBondContact O-N 3.02Å; V343-M346 WeakPolarHBondContact O-CB 3.47Å; V343-M346 PolarHBondContact O-N 2.62Å; V343-E347 HydrophobicContact CG1-CG 4.23Å; V343-E347 WeakPolarHBondContact O-CG 3.28Å; V343-E347 PolarHBondContact O-N 2.89Å; V343-I358 HydrophobicContact CG2-CG2 3.82Å; V343-Y359 HydrophobicContact CB-CE1 4.43Å; V343-Y359 HydrophobicContact CG1-CD1 4.39Å; V343-Y359 HydrophobicContact CG1-CD2 4.41Å; V343-Y359 HydrophobicContact CG1-CE1 3.6Å; V343-Y359 HydrophobicContact CG1-CE2 3.61Å; V343-Y359 WeakPolarHBondContact CG1-OH 3.33Å; V343-Y359 HydrophobicContact CG2-CD1 4.05Å; V343-Y359 HydrophobicContact CG2-CE1 3.98Å; V343-Y359 HydrophobicContact CG2-CG 4.4Å
344	R	88.3	Confident	85.8	Confident	130 Å²	130	58.7 Å²	58.7	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-58.9	-42.4	177.6	-76.7	173.1	-176	173.6	-0.2	112.3	F340 D341 Y342 M346 E347 E348	F340-R344 VanDerWaalsContact O-CG 3.28Å; F340-R344 WeakPolarHBondContact O-CG 3.38Å; F340-R344 PolarHBondContact O-N 2.75Å; D341-R344 PolarHBondContact O-N 2.84Å; D341-R344 IonicContact OD1-NH1 2.62Å; Y342-R344 PolarHBondContact O-N 3.35Å; R344-M346 PolarHBondContact O-N 3.31Å; R344-E347 PolarHBondContact O-N 3.1Å; R344-E348 WeakPolarHBondContact O-CG 3.29Å; R344-E348 PolarHBondContact O-N 2.9Å
345	L	86.2	Confident	86	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.037	27%	0.272	C	S	.	.	H	α-helix	trans	-58.1	-35.2	176.7	-168.6	75.6	0	0	0	111.9	L318 R321 K322 Y325 D341 Y342 V343 E349	L318-L345 HydrophobicContact CD2-CD1 3.39Å; L318-L345 HydrophobicContact CD2-CG 4.15Å; R321-L345 HydrophobicContact CB-CD1 4.44Å; R321-L345 HydrophobicContact CB-CD2 3.84Å; K322-L345 HydrophobicContact CG-CD2 3.64Å; Y325-L345 HydrophobicContact CD2-CD2 3.88Å; Y325-L345 HydrophobicContact CE2-CB 4.39Å; Y325-L345 HydrophobicContact CE2-CD2 3.88Å; D341-L345 PolarHBondContact O-N 3.49Å; Y342-L345 WeakPolarHBondContact O-CB 3.46Å; Y342-L345 PolarHBondContact O-N 3.16Å; V343-L345 VanDerWaalsContact C-N 3.31Å; V343-L345 PolarHBondContact O-N 3.02Å; L345-E349 PolarHBondContact O-N 3.38Å
346	M	85.2	Confident	86.1	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-83.5	-34	-177.8	-60.2	-70.2	-43.2	0	0	111.9	K322 Y342 V343 R344 E348 E349 G350 Q354 T355 I358	K322-M346 HydrophobicContact CD-SD 4.18Å; K322-M346 VanDerWaalsContact CE-SD 3.57Å; K322-M346 HydrophobicContact CG-SD 4.33Å; Y342-M346 HydrophobicContact CD2-CG 4.06Å; Y342-M346 HydrophobicContact CD2-SD 4.48Å; Y342-M346 HydrophobicContact CE2-CG 4.04Å; Y342-M346 HydrophobicContact CE2-SD 3.94Å; Y342-M346 WeakPolarHBondContact O-CG 3.45Å; Y342-M346 PolarHBondContact O-N 3.41Å; V343-M346 WeakPolarHBondContact O-CB 3.47Å; V343-M346 PolarHBondContact O-N 2.62Å; R344-M346 PolarHBondContact O-N 3.31Å; M346-E348 VanDerWaalsContact C-N 3.27Å; M346-E348 PolarHBondContact O-N 3.36Å; M346-E349 WeakPolarHBondContact CE-OE2 3.34Å; M346-E349 PolarHBondContact O-N 3.05Å; M346-G350 PolarHBondContact O-N 2.78Å; M346-Q354 HydrophobicContact CE-CB 3.35Å; M346-Q354 HydrophobicContact CE-CG 4.34Å; M346-Q354 VanDerWaalsContact CE-OE1 3.27Å; M346-T355 HydrophobicContact CB-CG2 4.5Å; M346-T355 PolarHBondContact O-OG1 3.47Å; M346-I358 HydrophobicContact CB-CD1 4.29Å; M346-I358 HydrophobicContact CE-CD1 3.74Å; M346-I358 HydrophobicContact CG-CD1 3.34Å; M346-I358 HydrophobicContact SD-CD1 3.57Å; M346-I358 VanDerWaalsContact SD-CD1 3.57Å
347	E	85.4	Confident	86.2	Confident	74 Å²	74	56.9 Å²	56.9	35%	0.346	28%	0.283	S	S	.	.	H	α-helix	trans	-60.4	-38.5	168.9	-71.7	-179	169.2	0	0	111.1	V343 R344 G350 T355 Y359 Y388	V343-E347 HydrophobicContact CG1-CG 4.23Å; V343-E347 WeakPolarHBondContact O-CG 3.28Å; V343-E347 PolarHBondContact O-N 2.89Å; R344-E347 PolarHBondContact O-N 3.1Å; E347-G350 PolarHBondContact O-N 3.5Å; E347-T355 HydrophobicContact CG-CG2 3.92Å; E347-Y359 PolarHBondContact OE1-OH 3.27Å; E347-Y388 HydrophobicContact CG-CD2 3.83Å; E347-Y388 HydrophobicContact CG-CE2 3.76Å; E347-Y388 VanDerWaalsContact OE1-CD2 3.31Å; E347-Y388 WeakPolarHBondContact OE1-CD2 3.44Å
348	E	84.4	Confident	86.2	Confident	145 Å²	145	53.7 Å²	53.7	68%	0.678	27%	0.266	S	S	*	.	H	α-helix	trans	-65.8	-34	175.2	-74.8	175	-175.6	0	0	113.2	R344 M346 G350	R344-E348 WeakPolarHBondContact O-CG 3.29Å; R344-E348 PolarHBondContact O-N 2.9Å; M346-E348 VanDerWaalsContact C-N 3.27Å; M346-E348 PolarHBondContact O-N 3.36Å; E348-G350 VanDerWaalsContact C-N 3.28Å; E348-G350 PolarHBondContact O-N 2.84Å
349	E	79.7	Confident	86.2	Confident	85 Å²	85	53 Å²	53	40%	0.397	26%	0.262	S	S	.	.	H	α-helix	trans	-73.9	-21.5	176.4	-169.4	179.5	-151.6	0	0	112.6	K322 L345 M346 S351	K322-E349 VanDerWaalsContact CE-OE2 3.25Å; K322-E349 WeakPolarHBondContact CE-OE2 3.42Å; K322-E349 IonicContact NZ-OE1 2.95Å; K322-E349 PolarHBondContact NZ-OE1 2.98Å; K322-E349 IonicContact NZ-OE2 2.94Å; K322-E349 PolarHBondContact NZ-OE2 3.4Å; L345-E349 PolarHBondContact O-N 3.38Å; M346-E349 WeakPolarHBondContact CE-OE2 3.34Å; M346-E349 PolarHBondContact O-N 3.05Å; E349-S351 VanDerWaalsContact C-N 3.31Å; E349-S351 PolarHBondContact O-N 3.44Å
350	G	78	Confident	86	Confident	51 Å²	51	57.6 Å²	57.6	53%	0.526	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	5.3	174.9	0	0	0	0	0	115.3	M346 E347 E348 I352	M346-G350 PolarHBondContact O-N 2.78Å; E347-G350 PolarHBondContact O-N 3.5Å; E348-G350 VanDerWaalsContact C-N 3.28Å; E348-G350 PolarHBondContact O-N 2.84Å; G350-I352 PolarHBondContact O-N 2.89Å
351	S	81.3	Confident	86	Confident	37 Å²	37	60.3 Å²	60.3	26%	0.259	29%	0.293	S	S	.	.			trans	-79	107.8	176.6	-175.3	0	0	0	0	111.7	E349 E353 T355	E349-S351 VanDerWaalsContact C-N 3.31Å; E349-S351 PolarHBondContact O-N 3.44Å; S351-E353 PolarHBondContact O-N 2.9Å; S351-T355 WeakPolarHBondContact O-CB 3.42Å; S351-T355 PolarHBondContact O-N 3.3Å; S351-T355 VanDerWaalsContact O-N 3.09Å; S351-T355 PolarHBondContact O-OG1 3.18Å
352	I	83.8	Confident	86.1	Confident	71 Å²	71	57 Å²	57	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-63.4	-42.4	-176.7	-59.4	172.6	0	0	0	111.4	G350 R356 Y388 A393	G350-I352 PolarHBondContact O-N 2.89Å; I352-R356 WeakPolarHBondContact O-CB 3.31Å; I352-R356 WeakPolarHBondContact O-CD 3.19Å; I352-R356 WeakPolarHBondContact O-CG 3.11Å; I352-R356 PolarHBondContact O-N 3.45Å; I352-Y388 WeakPolarHBondContact CA-OH 3.43Å; I352-A393 HydrophobicContact CG2-CB 3.9Å
353	E	84.8	Confident	86	Confident	159 Å²	159	57 Å²	57	74%	0.743	28%	0.277	S	S	*	.	H	α-helix	trans	-68.1	-44.1	-176.3	-64.9	179.8	175.9	0	0	112.4	S351 R356 E357	S351-E353 PolarHBondContact O-N 2.9Å; E353-R356 WeakPolarHBondContact O-CB 3.28Å; E353-R356 PolarHBondContact O-N 3.45Å; E353-E357 PolarHBondContact O-N 2.91Å; E353-E357 VanDerWaalsContact O-N 3.08Å
354	Q	83.5	Confident	86	Confident	83 Å²	83	60.3 Å²	60.3	39%	0.388	30%	0.304	S	S	.	.	H	α-helix	trans	-71.4	-38.9	-179.7	-62.8	-179.2	-2.1	0	0	111.5	M346 R356 E357 I358	M346-Q354 HydrophobicContact CE-CB 3.35Å; M346-Q354 HydrophobicContact CE-CG 4.34Å; M346-Q354 VanDerWaalsContact CE-OE1 3.27Å; Q354-R356 VanDerWaalsContact C-N 3.29Å; Q354-R356 PolarHBondContact O-N 3.43Å; Q354-E357 PolarHBondContact O-N 3.32Å; Q354-I358 WeakPolarHBondContact O-CG1 3.48Å; Q354-I358 PolarHBondContact O-N 2.84Å
355	T	87.2	Confident	85.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-40.9	175.6	-55.6	0	0	0	0	111	M346 E347 S351 I358 Y359 Y388	M346-T355 HydrophobicContact CB-CG2 4.5Å; M346-T355 PolarHBondContact O-OG1 3.47Å; E347-T355 HydrophobicContact CG-CG2 3.92Å; S351-T355 WeakPolarHBondContact O-CB 3.42Å; S351-T355 PolarHBondContact O-N 3.3Å; S351-T355 VanDerWaalsContact O-N 3.09Å; S351-T355 PolarHBondContact O-OG1 3.18Å; T355-I358 PolarHBondContact O-N 3.38Å; T355-Y359 HydrophobicContact CG2-CD2 3.78Å; T355-Y359 HydrophobicContact CG2-CE2 3.62Å; T355-Y359 VanDerWaalsContact O-CD2 3.26Å; T355-Y359 WeakPolarHBondContact O-CD2 3.41Å; T355-Y359 PolarHBondContact O-N 3.3Å; T355-Y388 WeakPolarHBondContact CB-OH 3.41Å; T355-Y388 HydrophobicContact CG2-CD1 4.17Å; T355-Y388 HydrophobicContact CG2-CD2 4.29Å; T355-Y388 HydrophobicContact CG2-CE1 3.62Å; T355-Y388 HydrophobicContact CG2-CE2 3.77Å; T355-Y388 HydrophobicContact CG2-CG 4.48Å
356	R	88.5	Confident	85.9	Confident	42 Å²	42	58.3 Å²	58.3	16%	0.158	31%	0.306	C	S	.	.	H	α-helix	trans	-59.5	-50.2	173.9	-83	167.5	169.5	170.8	0.4	113.2	I352 E353 Q354 I358 Y359 E360 E389 D395	I352-R356 WeakPolarHBondContact O-CB 3.31Å; I352-R356 WeakPolarHBondContact O-CD 3.19Å; I352-R356 WeakPolarHBondContact O-CG 3.11Å; I352-R356 PolarHBondContact O-N 3.45Å; E353-R356 WeakPolarHBondContact O-CB 3.28Å; E353-R356 PolarHBondContact O-N 3.45Å; Q354-R356 VanDerWaalsContact C-N 3.29Å; Q354-R356 PolarHBondContact O-N 3.43Å; R356-I358 PolarHBondContact O-N 3.48Å; R356-Y359 PolarHBondContact O-N 3.25Å; R356-E360 WeakPolarHBondContact O-CG 3.25Å; R356-E360 PolarHBondContact O-N 3.42Å; R356-E389 WeakPolarHBondContact CG-OE1 3.46Å; R356-E389 IonicContact CZ-OE1 3.38Å; R356-E389 IonicContact CZ-OE2 2.76Å; R356-E389 IonicContact NE-OE1 3.91Å; R356-E389 PolarHBondContact NE-OE1 3.25Å; R356-E389 IonicContact NE-OE2 3.68Å; R356-E389 PolarHBondContact NE-OE2 3.25Å; R356-E389 IonicContact NH2-OE1 3.22Å; R356-E389 IonicContact NH2-OE2 2.82Å; R356-E389 PolarHBondContact NH2-OE2 3.33Å; R356-D395 IonicContact NH2-OD2 3.72Å
357	E	88.9	Confident	85.9	Confident	114 Å²	114	58.5 Å²	58.5	53%	0.533	31%	0.307	S	S	.	.	H	α-helix	trans	-56.8	-42	178.8	-172.9	-175.5	164.5	0	0	110.7	E353 Q354 E360 R361	E353-E357 PolarHBondContact O-N 2.91Å; E353-E357 VanDerWaalsContact O-N 3.08Å; Q354-E357 PolarHBondContact O-N 3.32Å; E357-E360 PolarHBondContact O-N 2.73Å; E357-R361 WeakPolarHBondContact O-CB 3.46Å; E357-R361 VanDerWaalsContact O-CG 3.22Å; E357-R361 WeakPolarHBondContact O-CG 3.45Å; E357-R361 PolarHBondContact O-N 3.01Å
358	I	88.6	Confident	85.8	Confident	6 Å²	6	60 Å²	60	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-69.5	-40.9	-179.8	-69.6	166.6	0	0	0	111.5	W339 Y342 V343 M346 Q354 T355 R356 E360 R361 A362	W339-I358 HydrophobicContact CE3-CG2 4.28Å; W339-I358 HydrophobicContact CZ3-CG2 4.19Å; Y342-I358 HydrophobicContact CD1-CD1 4.44Å; Y342-I358 HydrophobicContact CD1-CG2 3.72Å; Y342-I358 HydrophobicContact CD2-CD1 4.32Å; Y342-I358 HydrophobicContact CE1-CD1 3.88Å; Y342-I358 HydrophobicContact CE1-CG1 3.99Å; Y342-I358 HydrophobicContact CE1-CG2 4Å; Y342-I358 HydrophobicContact CE2-CD1 3.7Å; Y342-I358 HydrophobicContact CG-CG2 4.16Å; Y342-I358 VanDerWaalsContact CZ-CD1 3.48Å; V343-I358 HydrophobicContact CG2-CG2 3.82Å; M346-I358 HydrophobicContact CB-CD1 4.29Å; M346-I358 HydrophobicContact CE-CD1 3.74Å; M346-I358 HydrophobicContact CG-CD1 3.34Å; M346-I358 HydrophobicContact SD-CD1 3.57Å; M346-I358 VanDerWaalsContact SD-CD1 3.57Å; Q354-I358 WeakPolarHBondContact O-CG1 3.48Å; Q354-I358 PolarHBondContact O-N 2.84Å; T355-I358 PolarHBondContact O-N 3.38Å; R356-I358 PolarHBondContact O-N 3.48Å; I358-E360 VanDerWaalsContact C-N 3.34Å; I358-E360 PolarHBondContact O-N 3.01Å; I358-R361 PolarHBondContact O-N 2.91Å; I358-A362 VanDerWaalsContact O-CB 3.24Å; I358-A362 WeakPolarHBondContact O-CB 3.24Å; I358-A362 PolarHBondContact O-N 2.74Å
359	Y	89.2	Confident	85.8	Confident	1 Å²	1	56.8 Å²	56.8	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-59.1	-44	171.7	-87.5	-63.4	0	0	0	112.2	V343 E347 T355 R356 A362 V363 L381 N384 Y385 Y388	V343-Y359 HydrophobicContact CB-CE1 4.43Å; V343-Y359 HydrophobicContact CG1-CD1 4.39Å; V343-Y359 HydrophobicContact CG1-CD2 4.41Å; V343-Y359 HydrophobicContact CG1-CE1 3.6Å; V343-Y359 HydrophobicContact CG1-CE2 3.61Å; V343-Y359 WeakPolarHBondContact CG1-OH 3.33Å; V343-Y359 HydrophobicContact CG2-CD1 4.05Å; V343-Y359 HydrophobicContact CG2-CE1 3.98Å; V343-Y359 HydrophobicContact CG2-CG 4.4Å; E347-Y359 PolarHBondContact OE1-OH 3.27Å; T355-Y359 HydrophobicContact CG2-CD2 3.78Å; T355-Y359 HydrophobicContact CG2-CE2 3.62Å; T355-Y359 VanDerWaalsContact O-CD2 3.26Å; T355-Y359 WeakPolarHBondContact O-CD2 3.41Å; T355-Y359 PolarHBondContact O-N 3.3Å; R356-Y359 PolarHBondContact O-N 3.25Å; Y359-A362 PolarHBondContact O-N 2.88Å; Y359-V363 VanDerWaalsContact O-CB 3.26Å; Y359-V363 WeakPolarHBondContact O-CB 3.39Å; Y359-V363 VanDerWaalsContact O-CG2 3.23Å; Y359-V363 WeakPolarHBondContact O-CG2 3.41Å; Y359-V363 PolarHBondContact O-N 3.25Å; Y359-L381 HydrophobicContact CD1-CD1 4.38Å; Y359-L381 HydrophobicContact CE1-CD1 4.44Å; Y359-N384 HydrophobicContact CE1-CB 4.14Å; Y359-Y385 VanDerWaalsContact CB-CD2 3.46Å; Y359-Y385 AromaticContact CD1-CD2 3.99Å; Y359-Y385 HydrophobicContact CD1-CD2 3.99Å; Y359-Y385 AromaticContact CD1-CG 3.95Å; Y359-Y385 HydrophobicContact CD1-CG 3.95Å; Y359-Y385 AromaticContact CD2-CD2 3.72Å; Y359-Y385 HydrophobicContact CD2-CD2 3.72Å; Y359-Y385 HydrophobicContact CD2-CE2 4.34Å; Y359-Y385 HydrophobicContact CD2-CG 4.5Å; Y359-Y385 HydrophobicContact CE2-CD2 4.42Å; Y359-Y385 AromaticContact CG-CD2 3.47Å; Y359-Y385 HydrophobicContact CG-CD2 3.47Å; Y359-Y385 VanDerWaalsContact CG-CD2 3.47Å; Y359-Y385 HydrophobicContact CG-CE2 4.18Å; Y359-Y385 AromaticContact CG-CG 3.87Å; Y359-Y385 HydrophobicContact CG-CG 3.87Å; Y359-Y388 HydrophobicContact CD2-CD1 4.11Å; Y359-Y388 HydrophobicContact CD2-CG 4.46Å; Y359-Y388 AromaticContact CE2-CD1 3.74Å; Y359-Y388 HydrophobicContact CE2-CD1 3.74Å; Y359-Y388 HydrophobicContact CE2-CD2 4.26Å; Y359-Y388 HydrophobicContact CE2-CE1 4.43Å; Y359-Y388 AromaticContact CE2-CG 3.64Å; Y359-Y388 HydrophobicContact CE2-CG 3.64Å
360	E	89	Confident	85.9	Confident	98 Å²	98	58.1 Å²	58.1	46%	0.458	31%	0.314	S	S	.	.	H	α-helix	trans	-64.7	-42.5	178.2	-72.1	-176	166.2	0	0	112.3	R356 E357 I358 V363 A364 Y385 R398	R356-E360 WeakPolarHBondContact O-CG 3.25Å; R356-E360 PolarHBondContact O-N 3.42Å; E357-E360 PolarHBondContact O-N 2.73Å; I358-E360 VanDerWaalsContact C-N 3.34Å; I358-E360 PolarHBondContact O-N 3.01Å; E360-V363 PolarHBondContact O-N 3.39Å; E360-A364 PolarHBondContact O-N 3.07Å; E360-Y385 PolarHBondContact OE1-OH 2.84Å; E360-R398 IonicContact OE1-CZ 3.78Å; E360-R398 IonicContact OE1-NH2 2.73Å; E360-R398 PolarHBondContact OE1-NH2 2.94Å
361	R	89.7	Confident	86.1	Confident	73 Å²	73	60.6 Å²	60.6	28%	0.275	31%	0.312	S	S	.	.	H	α-helix	trans	-62.2	-42.8	173.5	-71.6	172.9	61.8	-162.3	-4.9	111.8	E326 W339 E357 I358 A364 N365	E326-R361 VanDerWaalsContact CD-NH2 3.27Å; E326-R361 IonicContact OE1-CZ 3.23Å; E326-R361 IonicContact OE1-NH1 3.7Å; E326-R361 IonicContact OE1-NH2 2.69Å; E326-R361 PolarHBondContact OE1-NH2 2.94Å; E326-R361 IonicContact OE2-CZ 3.99Å; E326-R361 IonicContact OE2-NH1 3.92Å; E326-R361 PolarHBondContact OE2-NH1 3.31Å; E326-R361 IonicContact OE2-NH2 3.28Å; E326-R361 PolarHBondContact OE2-NH2 2.9Å; E326-R361 VanDerWaalsContact OE2-NH2 3.1Å; W339-R361 HydrophobicContact CH2-CB 3.84Å; W339-R361 HydrophobicContact CZ3-CB 4.09Å; E357-R361 WeakPolarHBondContact O-CB 3.46Å; E357-R361 VanDerWaalsContact O-CG 3.22Å; E357-R361 WeakPolarHBondContact O-CG 3.45Å; E357-R361 PolarHBondContact O-N 3.01Å; I358-R361 PolarHBondContact O-N 2.91Å; R361-A364 PolarHBondContact O-N 2.98Å; R361-N365 PolarHBondContact O-ND2 2.91Å
362	A	89.1	Confident	86.1	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.4	-43.4	179.5	0	0	0	0	0	111.3	W339 I358 Y359 A364 N365 L381	W339-A362 HydrophobicContact CB-CB 4.14Å; W339-A362 HydrophobicContact CD2-CB 3.48Å; W339-A362 VanDerWaalsContact CD2-CB 3.48Å; W339-A362 HydrophobicContact CE3-CB 3.35Å; W339-A362 HydrophobicContact CG-CB 3.87Å; W339-A362 HydrophobicContact CH2-CB 4.43Å; W339-A362 HydrophobicContact CZ3-CB 3.86Å; I358-A362 VanDerWaalsContact O-CB 3.24Å; I358-A362 WeakPolarHBondContact O-CB 3.24Å; I358-A362 PolarHBondContact O-N 2.74Å; Y359-A362 PolarHBondContact O-N 2.88Å; A362-A364 VanDerWaalsContact C-N 3.35Å; A362-N365 PolarHBondContact O-N 2.94Å; A362-L381 HydrophobicContact CB-CD1 4.01Å; A362-L381 HydrophobicContact CB-CD2 3.54Å; A362-L381 HydrophobicContact CB-CG 4.26Å
363	V	87.4	Confident	86.1	Confident	16 Å²	16	69 Å²	69	10%	0.097	34%	0.336	C	S	.	.	H	α-helix	trans	-69.3	-30.2	-179.9	161.7	0	0	0	0	112.6	Y359 E360 N365 Y378 L381 W382 Y385	Y359-V363 VanDerWaalsContact O-CB 3.26Å; Y359-V363 WeakPolarHBondContact O-CB 3.39Å; Y359-V363 VanDerWaalsContact O-CG2 3.23Å; Y359-V363 WeakPolarHBondContact O-CG2 3.41Å; Y359-V363 PolarHBondContact O-N 3.25Å; E360-V363 PolarHBondContact O-N 3.39Å; V363-N365 PolarHBondContact O-N 2.92Å; V363-N365 VanDerWaalsContact O-N 3.14Å; V363-Y378 WeakPolarHBondContact O-CE2 3.44Å; V363-Y378 PolarHBondContact O-OH 2.91Å; V363-L381 HydrophobicContact CG2-CD2 4.08Å; V363-L381 HydrophobicContact CG2-CG 4.37Å; V363-W382 HydrophobicContact CB-CZ2 4.25Å; V363-W382 HydrophobicContact CG1-CD2 4.28Å; V363-W382 VanDerWaalsContact CG1-CE2 3.44Å; V363-W382 HydrophobicContact CG1-CH2 3.4Å; V363-W382 VanDerWaalsContact CG1-CH2 3.4Å; V363-W382 HydrophobicContact CG1-CZ2 2.98Å; V363-W382 HydrophobicContact CG1-CZ3 4.18Å; V363-W382 HydrophobicContact CG2-CD2 4.15Å; V363-W382 HydrophobicContact CG2-CE3 4.47Å; V363-W382 HydrophobicContact CG2-CZ2 4.31Å; V363-Y385 HydrophobicContact CG2-CD1 4.39Å
364	A	88.4	Confident	86	Confident	72 Å²	72	67.6 Å²	67.6	60%	0.595	32%	0.324	S	S	*	.	H	α-helix	trans	-59.5	-24.5	176.1	0	0	0	0	0	113	E360 R361 A362 V366	E360-A364 PolarHBondContact O-N 3.07Å; R361-A364 PolarHBondContact O-N 2.98Å; A362-A364 VanDerWaalsContact C-N 3.35Å; A364-V366 PolarHBondContact O-N 2.88Å
365	N	86.3	Confident	86.3	Confident	37 Å²	37	64 Å²	64	20%	0.198	31%	0.307	C	S	.	.	S	Bend	trans	-84.9	74.9	-178.3	-63.1	-47.5	0	0	0	112.5	Y336 W339 R361 A362 V363	Y336-N365 WeakPolarHBondContact CE1-O 3.36Å; Y336-N365 PolarHBondContact OH-O 3.36Å; W339-N365 WeakPolarHBondContact CZ2-ND2 3.26Å; R361-N365 PolarHBondContact O-ND2 2.91Å; A362-N365 PolarHBondContact O-N 2.94Å; V363-N365 PolarHBondContact O-N 2.92Å; V363-N365 VanDerWaalsContact O-N 3.14Å
366	V	85	Confident	86.2	Confident	58 Å²	58	70.3 Å²	70.3	35%	0.352	33%	0.331	S	S	.	.			trans	-65	135.2	179.2	-175.5	0	0	0	0	111.5	A364 W375	A364-V366 PolarHBondContact O-N 2.88Å; V366-W375 HydrophobicContact CG1-CH2 4.2Å; V366-W375 HydrophobicContact CG1-CZ2 4.4Å
367	P	86	Confident	86.1	Confident	7 Å²	7	74.2 Å²	74.2	5%	0.045	35%	0.346	C	S	.	.			trans	-58.9	128.5	175.4	-18.7	25.5	0	0	0	111.5	Y336 I369 W375 Y378	Y336-P367 HydrophobicContact CE2-CG 4.19Å; Y336-P367 WeakPolarHBondContact OH-CA 3.23Å; Y336-P367 WeakPolarHBondContact OH-CD 3.36Å; Y336-P367 VanDerWaalsContact OH-CG 3.22Å; Y336-P367 WeakPolarHBondContact OH-CG 3.2Å; P367-I369 VanDerWaalsContact C-N 3.32Å; P367-I369 PolarHBondContact O-N 3.1Å; P367-W375 HydrophobicContact CG-CD2 4.34Å; P367-W375 HydrophobicContact CG-CG 4.43Å; P367-Y378 HydrophobicContact CG-CD1 4Å; P367-Y378 HydrophobicContact CG-CD2 4.29Å; P367-Y378 HydrophobicContact CG-CG 3.74Å
368	P	82.9	Confident	86.1	Confident	104 Å²	104	68.8 Å²	68.8	68%	0.675	32%	0.321	S	S	*	.	S	Bend	trans	-68.9	-30.6	-177.5	24.6	-32.6	0	0	0	112.8
369	I	84.7	Confident	86.1	Confident	79 Å²	79	68.7 Å²	68.7	41%	0.405	32%	0.32	S	S	.	.	S	Bend	trans	-96.1	128.4	-176	-57.7	171.6	0	0	0	110.2	P367 E371 Y374 W375	P367-I369 VanDerWaalsContact C-N 3.32Å; P367-I369 PolarHBondContact O-N 3.1Å; I369-E371 HydrophobicContact CG2-CB 4.09Å; I369-E371 HydrophobicContact CG2-CG 3.8Å; I369-E371 PolarHBondContact O-N 3.36Å; I369-E371 VanDerWaalsContact O-N 3.08Å; I369-Y374 HydrophobicContact CB-CD2 3.99Å; I369-Y374 HydrophobicContact CB-CE2 4.32Å; I369-Y374 HydrophobicContact CD1-CD2 4.48Å; I369-Y374 HydrophobicContact CD1-CE2 4.07Å; I369-Y374 HydrophobicContact CG2-CD2 4Å; I369-Y374 HydrophobicContact CG2-CE2 4.11Å; I369-W375 VanDerWaalsContact O-CD1 3.32Å; I369-W375 PolarHBondContact O-NE1 2.78Å
370	K	81.5	Confident	86.1	Confident	112 Å²	112	73.3 Å²	73.3	49%	0.487	34%	0.338	S	S	.	.			trans	-85.3	46.5	-179.5	-65.1	-178.5	-178.3	177.6	0	113.2	P411	K370-P411 HydrophobicContact CD-CG 4.42Å; K370-P411 HydrophobicContact CG-CG 4.48Å
371	E	81.9	Confident	86.1	Confident	104 Å²	104	68.6 Å²	68.6	49%	0.486	32%	0.316	S	S	.	.	S	Bend	trans	-109	142.9	174	-72.9	177.8	-172.1	0	0	111	I369 R373 Y374 W375	I369-E371 HydrophobicContact CG2-CB 4.09Å; I369-E371 HydrophobicContact CG2-CG 3.8Å; I369-E371 PolarHBondContact O-N 3.36Å; I369-E371 VanDerWaalsContact O-N 3.08Å; E371-R373 PolarHBondContact O-N 3.15Å; E371-Y374 HydrophobicContact CB-CD2 4.07Å; E371-Y374 HydrophobicContact CB-CE2 4.46Å; E371-Y374 PolarHBondContact O-N 3.06Å; E371-Y374 WeakPolarHBondContact OE2-CE2 3.43Å; E371-W375 PolarHBondContact O-N 3.31Å
372	K	82.5	Confident	86.2	Confident	83 Å²	83	65.9 Å²	65.9	36%	0.361	31%	0.306	S	S	.	.	H	α-helix	trans	-55.6	-31.3	-175.5	-169.3	-177.4	178.3	-167.5	0	113.3	W375 R376 F415 F417	K372-W375 PolarHBondContact O-N 3.16Å; K372-R376 WeakPolarHBondContact O-CG 3.31Å; K372-R376 PolarHBondContact O-N 3.19Å; K372-F415 HydrophobicContact CB-CB 3.97Å; K372-F415 HydrophobicContact CB-CD1 4.42Å; K372-F415 HydrophobicContact CB-CG 4.15Å; K372-F415 HydrophobicContact CD-CB 4.38Å; K372-F415 HydrophobicContact CG-CB 4.12Å; K372-F415 HydrophobicContact CG-CG 4.4Å; K372-F417 HydrophobicContact CG-CE1 4.17Å; K372-F417 HydrophobicContact CG-CE2 4.23Å; K372-F417 HydrophobicContact CG-CZ 3.65Å
373	R	83.8	Confident	86.3	Confident	202 Å²	202	66.1 Å²	66.1	76%	0.762	31%	0.307	S	S	*	.	H	α-helix	trans	-62.3	-52.5	-177.2	-69.1	-177.2	178.5	-174.2	-1.1	112	E371 W375 R376	E371-R373 PolarHBondContact O-N 3.15Å; R373-W375 VanDerWaalsContact C-N 3.28Å; R373-W375 PolarHBondContact O-N 3.02Å; R373-R376 PolarHBondContact O-N 2.96Å
374	Y	82.9	Confident	86.3	Confident	128 Å²	128	66.7 Å²	66.7	50%	0.502	31%	0.31	S	S	.	.	H	α-helix	trans	-68.1	-26.5	-179.9	-58.5	-74.7	0	0	0	113.4	I369 E371	I369-Y374 HydrophobicContact CB-CD2 3.99Å; I369-Y374 HydrophobicContact CB-CE2 4.32Å; I369-Y374 HydrophobicContact CD1-CD2 4.48Å; I369-Y374 HydrophobicContact CD1-CE2 4.07Å; I369-Y374 HydrophobicContact CG2-CD2 4Å; I369-Y374 HydrophobicContact CG2-CE2 4.11Å; E371-Y374 HydrophobicContact CB-CD2 4.07Å; E371-Y374 HydrophobicContact CB-CE2 4.46Å; E371-Y374 PolarHBondContact O-N 3.06Å; E371-Y374 WeakPolarHBondContact OE2-CE2 3.43Å
375	W	88.2	Confident	86.4	Confident	8 Å²	8	63.7 Å²	63.7	3%	0.03	28%	0.283	C	S	.	.	H	α-helix	trans	-79	-19.3	178.8	-74.9	67.1	0	0	0	113.7	V366 P367 I369 E371 K372 R373 Y378 I379 I410 P411 F415 F417	V366-W375 HydrophobicContact CG1-CH2 4.2Å; V366-W375 HydrophobicContact CG1-CZ2 4.4Å; P367-W375 HydrophobicContact CG-CD2 4.34Å; P367-W375 HydrophobicContact CG-CG 4.43Å; I369-W375 VanDerWaalsContact O-CD1 3.32Å; I369-W375 PolarHBondContact O-NE1 2.78Å; E371-W375 PolarHBondContact O-N 3.31Å; K372-W375 PolarHBondContact O-N 3.16Å; R373-W375 VanDerWaalsContact C-N 3.28Å; R373-W375 PolarHBondContact O-N 3.02Å; W375-Y378 HydrophobicContact CE3-CD1 4.09Å; W375-Y378 HydrophobicContact CE3-CE1 4.49Å; W375-Y378 HydrophobicContact CZ3-CD1 4.29Å; W375-Y378 HydrophobicContact CZ3-CE1 4.23Å; W375-Y378 PolarHBondContact O-N 3.4Å; W375-I379 HydrophobicContact CB-CD1 4.27Å; W375-I379 WeakPolarHBondContact O-CB 3.35Å; W375-I379 WeakPolarHBondContact O-CD1 3.45Å; W375-I379 WeakPolarHBondContact O-CG1 3.37Å; W375-I379 PolarHBondContact O-N 3.43Å; W375-I410 HydrophobicContact CE3-CG1 4.37Å; W375-I410 HydrophobicContact CZ3-CG1 4.17Å; W375-P411 HydrophobicContact CH2-CG 3.92Å; W375-P411 HydrophobicContact CZ2-CG 3.95Å; W375-F415 HydrophobicContact CB-CE2 4.04Å; W375-F415 HydrophobicContact CB-CZ 3.95Å; W375-F415 AromaticContact CD1-CZ 3.71Å; W375-F415 HydrophobicContact CD2-CE1 4.28Å; W375-F415 AromaticContact CD2-CE2 3.92Å; W375-F415 HydrophobicContact CD2-CE2 3.92Å; W375-F415 AromaticContact CD2-CZ 3.31Å; W375-F415 HydrophobicContact CD2-CZ 3.31Å; W375-F415 AromaticContact CE2-CZ 3.65Å; W375-F415 HydrophobicContact CE3-CE2 4.05Å; W375-F415 AromaticContact CE3-CZ 3.79Å; W375-F415 HydrophobicContact CE3-CZ 3.79Å; W375-F415 HydrophobicContact CG-CE1 4.07Å; W375-F415 AromaticContact CG-CE2 3.91Å; W375-F415 HydrophobicContact CG-CE2 3.91Å; W375-F415 AromaticContact CG-CZ 3.35Å; W375-F415 HydrophobicContact CG-CZ 3.35Å; W375-F415 HydrophobicContact CZ2-CZ 4.37Å; W375-F415 HydrophobicContact CZ3-CZ 4.48Å; W375-F415 AromaticContact NE1-CZ 3.87Å; W375-F417 HydrophobicContact CB-CE2 3.91Å; W375-F417 HydrophobicContact CB-CZ 4.01Å
376	R	86.6	Confident	86.6	Confident	132 Å²	132	62 Å²	62	50%	0.498	27%	0.274	S	S	.	.	H	α-helix	trans	-56.7	-55.3	-178.5	-79.2	171.9	-172.9	-160.8	3	111.3	K372 R373 I379 Y380 F417	K372-R376 WeakPolarHBondContact O-CG 3.31Å; K372-R376 PolarHBondContact O-N 3.19Å; R373-R376 PolarHBondContact O-N 2.96Å; R376-I379 PolarHBondContact O-N 3.31Å; R376-Y380 WeakPolarHBondContact O-CD2 3.45Å; R376-Y380 PolarHBondContact O-N 2.93Å; R376-Y380 VanDerWaalsContact O-N 3.15Å; R376-F417 HydrophobicContact CG-CE1 3.95Å; R376-F417 HydrophobicContact CG-CZ 4.2Å
377	R	86.1	Confident	86.7	Confident	124 Å²	124	60.2 Å²	60.2	47%	0.468	26%	0.262	S	S	.	.	H	α-helix	trans	-64	-45.3	-178.7	-71.8	-68.8	-171.4	169.7	10.2	111.5	Y336 D337 F340 I379 Y380 L381	Y336-R377 HydrophobicContact CD2-CB 4.04Å; Y336-R377 HydrophobicContact CG-CB 4.26Å; D337-R377 IonicContact OD1-CZ 3.25Å; D337-R377 IonicContact OD1-NE 3.98Å; D337-R377 IonicContact OD1-NH1 2.91Å; D337-R377 IonicContact OD1-NH2 3.54Å; F340-R377 HydrophobicContact CE2-CB 4.35Å; F340-R377 WeakPolarHBondContact CZ-O 3.11Å; R377-I379 PolarHBondContact O-N 3.08Å; R377-Y380 WeakPolarHBondContact O-CB 3.39Å; R377-Y380 PolarHBondContact O-N 3.45Å; R377-L381 PolarHBondContact O-N 3.25Å
378	Y	88.8	Confident	86.8	Confident	1 Å²	1	60.5 Å²	60.5	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-56.4	-38.1	175.6	-178.6	-111.5	0	0	0	113.1	Y336 V363 P367 W375 L381 W382	Y336-Y378 HydrophobicContact CD1-CD2 4.4Å; Y336-Y378 AromaticContact CE1-CD2 3.65Å; Y336-Y378 HydrophobicContact CE1-CD2 3.65Å; Y336-Y378 HydrophobicContact CE1-CG 4.43Å; Y336-Y378 AromaticContact CZ-CD2 3.93Å; V363-Y378 WeakPolarHBondContact O-CE2 3.44Å; V363-Y378 PolarHBondContact O-OH 2.91Å; P367-Y378 HydrophobicContact CG-CD1 4Å; P367-Y378 HydrophobicContact CG-CD2 4.29Å; P367-Y378 HydrophobicContact CG-CG 3.74Å; W375-Y378 HydrophobicContact CE3-CD1 4.09Å; W375-Y378 HydrophobicContact CE3-CE1 4.49Å; W375-Y378 HydrophobicContact CZ3-CD1 4.29Å; W375-Y378 HydrophobicContact CZ3-CE1 4.23Å; W375-Y378 PolarHBondContact O-N 3.4Å; Y378-L381 WeakPolarHBondContact O-CB 3.26Å; Y378-L381 PolarHBondContact O-N 2.94Å; Y378-W382 AromaticContact CE1-CD1 3.72Å; Y378-W382 AromaticContact CE1-NE1 3.33Å; Y378-W382 VanDerWaalsContact CE1-NE1 3.33Å; Y378-W382 AromaticContact CE2-NE1 3.83Å; Y378-W382 AromaticContact CZ-CD1 3.83Å; Y378-W382 AromaticContact CZ-NE1 3.14Å; Y378-W382 PolarHBondContact O-N 2.85Å; Y378-W382 PolarHBondContact OH-NE1 3.26Å
379	I	87.8	Confident	87.1	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-70.8	-35.3	176.3	-79.3	163.9	0	0	0	112.7	W375 R376 R377 L381 W382 L383 I410 F417 I420	W375-I379 HydrophobicContact CB-CD1 4.27Å; W375-I379 WeakPolarHBondContact O-CB 3.35Å; W375-I379 WeakPolarHBondContact O-CD1 3.45Å; W375-I379 WeakPolarHBondContact O-CG1 3.37Å; W375-I379 PolarHBondContact O-N 3.43Å; R376-I379 PolarHBondContact O-N 3.31Å; R377-I379 PolarHBondContact O-N 3.08Å; I379-L381 VanDerWaalsContact C-N 3.26Å; I379-L381 PolarHBondContact O-N 3.3Å; I379-W382 WeakPolarHBondContact O-CB 3.07Å; I379-W382 PolarHBondContact O-N 3.4Å; I379-L383 HydrophobicContact CG2-CD1 4.31Å; I379-L383 WeakPolarHBondContact O-CG 3.47Å; I379-L383 PolarHBondContact O-N 3.49Å; I379-I410 HydrophobicContact CD1-CD1 4.1Å; I379-I410 HydrophobicContact CD1-CG1 4.43Å; I379-I410 HydrophobicContact CG1-CD1 4.2Å; I379-F417 HydrophobicContact CD1-CB 4.12Å; I379-F417 HydrophobicContact CD1-CD1 3.78Å; I379-F417 HydrophobicContact CD1-CD2 3Å; I379-F417 HydrophobicContact CD1-CE1 3.83Å; I379-F417 HydrophobicContact CD1-CE2 3.01Å; I379-F417 HydrophobicContact CD1-CG 3.37Å; I379-F417 HydrophobicContact CD1-CZ 3.46Å; I379-F417 VanDerWaalsContact CD1-CZ 3.46Å; I379-F417 HydrophobicContact CG1-CD2 4.47Å; I379-F417 HydrophobicContact CG1-CE2 4.5Å; I379-I420 HydrophobicContact CB-CD1 4.06Å; I379-I420 HydrophobicContact CD1-CD1 3.88Å; I379-I420 HydrophobicContact CG1-CD1 3.71Å; I379-I420 HydrophobicContact CG2-CD1 3.29Å; I379-I420 HydrophobicContact CG2-CG1 3.5Å
380	Y	89.6	Confident	87.2	Confident	97 Å²	97	52.7 Å²	52.7	38%	0.38	22%	0.216	S	C	.	.	H	α-helix	trans	-64.5	-34.3	172.7	-82.2	-71.2	0	0	0	111.9	R376 R377 W382 L383 N384 K419	R376-Y380 WeakPolarHBondContact O-CD2 3.45Å; R376-Y380 PolarHBondContact O-N 2.93Å; R376-Y380 VanDerWaalsContact O-N 3.15Å; R377-Y380 WeakPolarHBondContact O-CB 3.39Å; R377-Y380 PolarHBondContact O-N 3.45Å; Y380-W382 VanDerWaalsContact C-N 3.34Å; Y380-W382 PolarHBondContact O-N 3.33Å; Y380-L383 HydrophobicContact CD1-CD1 4.17Å; Y380-L383 HydrophobicContact CE1-CD1 4.35Å; Y380-L383 PolarHBondContact O-N 3.25Å; Y380-N384 WeakPolarHBondContact O-CB 3.44Å; Y380-N384 VanDerWaalsContact O-CG 3.27Å; Y380-N384 PolarHBondContact O-N 3.03Å; Y380-N384 PolarHBondContact O-OD1 3.12Å; Y380-K419 HydrophobicContact CE1-CD 4.46Å
381	L	89.4	Confident	87.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.4	-44.1	172.2	-175.4	73.7	0	0	0	111.4	W339 F340 Y359 A362 V363 R377 Y378 I379 N384 Y385	W339-L381 HydrophobicContact CB-CD1 4.41Å; F340-L381 HydrophobicContact CD1-CD1 4.47Å; F340-L381 HydrophobicContact CE1-CB 4.17Å; F340-L381 HydrophobicContact CE1-CD1 4.25Å; F340-L381 HydrophobicContact CZ-CB 4.2Å; Y359-L381 HydrophobicContact CD1-CD1 4.38Å; Y359-L381 HydrophobicContact CE1-CD1 4.44Å; A362-L381 HydrophobicContact CB-CD1 4.01Å; A362-L381 HydrophobicContact CB-CD2 3.54Å; A362-L381 HydrophobicContact CB-CG 4.26Å; V363-L381 HydrophobicContact CG2-CD2 4.08Å; V363-L381 HydrophobicContact CG2-CG 4.37Å; R377-L381 PolarHBondContact O-N 3.25Å; Y378-L381 WeakPolarHBondContact O-CB 3.26Å; Y378-L381 PolarHBondContact O-N 2.94Å; I379-L381 VanDerWaalsContact C-N 3.26Å; I379-L381 PolarHBondContact O-N 3.3Å; L381-N384 PolarHBondContact O-N 3.3Å; L381-Y385 WeakPolarHBondContact O-CB 3.21Å; L381-Y385 PolarHBondContact O-N 3.21Å
382	W	91.4	Very high	87.5	Confident	15 Å²	15	49.7 Å²	49.7	6%	0.057	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-40.1	173.8	-82.4	99.6	0	0	0	113.6	V363 Y378 I379 Y380 Y385 A386 V402 F405 C406 L409	V363-W382 HydrophobicContact CB-CZ2 4.25Å; V363-W382 HydrophobicContact CG1-CD2 4.28Å; V363-W382 VanDerWaalsContact CG1-CE2 3.44Å; V363-W382 HydrophobicContact CG1-CH2 3.4Å; V363-W382 VanDerWaalsContact CG1-CH2 3.4Å; V363-W382 HydrophobicContact CG1-CZ2 2.98Å; V363-W382 HydrophobicContact CG1-CZ3 4.18Å; V363-W382 HydrophobicContact CG2-CD2 4.15Å; V363-W382 HydrophobicContact CG2-CE3 4.47Å; V363-W382 HydrophobicContact CG2-CZ2 4.31Å; Y378-W382 AromaticContact CE1-CD1 3.72Å; Y378-W382 AromaticContact CE1-NE1 3.33Å; Y378-W382 VanDerWaalsContact CE1-NE1 3.33Å; Y378-W382 AromaticContact CE2-NE1 3.83Å; Y378-W382 AromaticContact CZ-CD1 3.83Å; Y378-W382 AromaticContact CZ-NE1 3.14Å; Y378-W382 PolarHBondContact O-N 2.85Å; Y378-W382 PolarHBondContact OH-NE1 3.26Å; I379-W382 WeakPolarHBondContact O-CB 3.07Å; I379-W382 PolarHBondContact O-N 3.4Å; Y380-W382 VanDerWaalsContact C-N 3.34Å; Y380-W382 PolarHBondContact O-N 3.33Å; W382-Y385 HydrophobicContact CE3-CD1 4.4Å; W382-Y385 HydrophobicContact CZ3-CD1 4.4Å; W382-Y385 PolarHBondContact O-N 3.1Å; W382-A386 WeakPolarHBondContact O-CB 3.02Å; W382-A386 PolarHBondContact O-N 2.63Å; W382-V402 HydrophobicContact CE3-CG1 3.58Å; W382-V402 HydrophobicContact CZ3-CB 4.38Å; W382-V402 HydrophobicContact CZ3-CG1 3.75Å; W382-V402 VanDerWaalsContact CZ3-O 3.28Å; W382-V402 WeakPolarHBondContact CZ3-O 3.43Å; W382-F405 HydrophobicContact CH2-CB 3.7Å; W382-F405 HydrophobicContact CZ3-CB 4.1Å; W382-C406 HydrophobicContact CB-CB 4.28Å; W382-C406 VanDerWaalsContact CB-SG 3.57Å; W382-C406 HydrophobicContact CD2-CB 3.66Å; W382-C406 HydrophobicContact CE3-CB 3.65Å; W382-C406 HydrophobicContact CG-CB 3.98Å; W382-C406 HydrophobicContact CZ3-CB 4.19Å; W382-L409 HydrophobicContact CH2-CD1 4.12Å; W382-L409 HydrophobicContact CZ2-CD1 3.32Å
383	L	90.3	Very high	87.5	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-65.1	-43.2	176.1	-73.6	173.6	0	0	0	111.1	I379 Y380 A386 L387 Y403 K419 I420 Y423	I379-L383 HydrophobicContact CG2-CD1 4.31Å; I379-L383 WeakPolarHBondContact O-CG 3.47Å; I379-L383 PolarHBondContact O-N 3.49Å; Y380-L383 HydrophobicContact CD1-CD1 4.17Å; Y380-L383 HydrophobicContact CE1-CD1 4.35Å; Y380-L383 PolarHBondContact O-N 3.25Å; L383-A386 PolarHBondContact O-N 2.91Å; L383-L387 WeakPolarHBondContact O-CB 3.23Å; L383-L387 VanDerWaalsContact O-CG 3.23Å; L383-L387 WeakPolarHBondContact O-CG 3.36Å; L383-L387 PolarHBondContact O-N 3.23Å; L383-Y403 HydrophobicContact CD2-CE1 4.41Å; L383-K419 HydrophobicContact CD1-CD 4.1Å; L383-K419 HydrophobicContact CD1-CG 4.11Å; L383-I420 HydrophobicContact CD2-CG1 4.39Å; L383-Y423 HydrophobicContact CD2-CD1 4.26Å; L383-Y423 HydrophobicContact CD2-CG 4Å
384	N	88.8	Confident	87.5	Confident	28 Å²	28	43 Å²	43	15%	0.15	20%	0.198	C	C	.	.	H	α-helix	trans	-63.5	-42.7	175.8	-70.9	5.2	0	0	0	111	F340 Y359 Y380 L381 A386 L387 Y388	F340-N384 WeakPolarHBondContact CE1-ND2 3.44Å; Y359-N384 HydrophobicContact CE1-CB 4.14Å; Y380-N384 WeakPolarHBondContact O-CB 3.44Å; Y380-N384 VanDerWaalsContact O-CG 3.27Å; Y380-N384 PolarHBondContact O-N 3.03Å; Y380-N384 PolarHBondContact O-OD1 3.12Å; L381-N384 PolarHBondContact O-N 3.3Å; N384-A386 PolarHBondContact O-N 3.48Å; N384-L387 PolarHBondContact O-N 3.09Å; N384-Y388 VanDerWaalsContact O-CB 3.25Å; N384-Y388 WeakPolarHBondContact O-CB 3.44Å; N384-Y388 PolarHBondContact O-N 3.12Å
385	Y	89.6	Confident	87.7	Confident	10 Å²	10	39.6 Å²	39.6	4%	0.039	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-45.2	176.1	-176	-152.9	0	0	0	111.9	Y359 E360 V363 L381 W382 Y388 E389 R398 V402	Y359-Y385 VanDerWaalsContact CB-CD2 3.46Å; Y359-Y385 AromaticContact CD1-CD2 3.99Å; Y359-Y385 HydrophobicContact CD1-CD2 3.99Å; Y359-Y385 AromaticContact CD1-CG 3.95Å; Y359-Y385 HydrophobicContact CD1-CG 3.95Å; Y359-Y385 AromaticContact CD2-CD2 3.72Å; Y359-Y385 HydrophobicContact CD2-CD2 3.72Å; Y359-Y385 HydrophobicContact CD2-CE2 4.34Å; Y359-Y385 HydrophobicContact CD2-CG 4.5Å; Y359-Y385 HydrophobicContact CE2-CD2 4.42Å; Y359-Y385 AromaticContact CG-CD2 3.47Å; Y359-Y385 HydrophobicContact CG-CD2 3.47Å; Y359-Y385 VanDerWaalsContact CG-CD2 3.47Å; Y359-Y385 HydrophobicContact CG-CE2 4.18Å; Y359-Y385 AromaticContact CG-CG 3.87Å; Y359-Y385 HydrophobicContact CG-CG 3.87Å; E360-Y385 PolarHBondContact OE1-OH 2.84Å; V363-Y385 HydrophobicContact CG2-CD1 4.39Å; L381-Y385 WeakPolarHBondContact O-CB 3.21Å; L381-Y385 PolarHBondContact O-N 3.21Å; W382-Y385 HydrophobicContact CE3-CD1 4.4Å; W382-Y385 HydrophobicContact CZ3-CD1 4.4Å; W382-Y385 PolarHBondContact O-N 3.1Å; Y385-Y388 PolarHBondContact O-N 3.37Å; Y385-E389 HydrophobicContact CD2-CG 3.94Å; Y385-E389 HydrophobicContact CE2-CG 3.61Å; Y385-E389 WeakPolarHBondContact CE2-OE1 3.37Å; Y385-E389 WeakPolarHBondContact O-CG 3.28Å; Y385-E389 PolarHBondContact O-N 2.93Å; Y385-R398 PolarHBondContact OH-NE 3.39Å; Y385-R398 VanDerWaalsContact OH-NE 3.14Å; Y385-R398 PolarHBondContact OH-NH2 3.06Å; Y385-V402 HydrophobicContact CD1-CB 4.33Å; Y385-V402 HydrophobicContact CD1-CG1 3.58Å; Y385-V402 HydrophobicContact CD1-CG2 3.69Å; Y385-V402 HydrophobicContact CE1-CB 4.4Å; Y385-V402 HydrophobicContact CE1-CG1 4.12Å; Y385-V402 HydrophobicContact CE1-CG2 3.35Å; Y385-V402 HydrophobicContact CE2-CG2 4.44Å; Y385-V402 HydrophobicContact CG-CG1 4.12Å; Y385-V402 HydrophobicContact CG-CG2 4.38Å
386	A	89.7	Confident	87.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.7	-40.5	177.7	0	0	0	0	0	112.4	W382 L383 N384 E390 T399 V402 Y403	W382-A386 WeakPolarHBondContact O-CB 3.02Å; W382-A386 PolarHBondContact O-N 2.63Å; L383-A386 PolarHBondContact O-N 2.91Å; N384-A386 PolarHBondContact O-N 3.48Å; A386-E390 WeakPolarHBondContact O-CB 3.44Å; A386-E390 PolarHBondContact O-N 2.72Å; A386-T399 HydrophobicContact CB-CG2 4.44Å; A386-V402 HydrophobicContact CB-CG1 3.87Å; A386-Y403 HydrophobicContact CB-CD1 4.36Å; A386-Y403 HydrophobicContact CB-CD2 4.37Å; A386-Y403 HydrophobicContact CB-CE1 3.79Å; A386-Y403 HydrophobicContact CB-CE2 3.82Å; A386-Y403 VanDerWaalsContact CB-CZ 3.48Å
387	L	89	Confident	87.7	Confident	22 Å²	22	40.2 Å²	40.2	12%	0.115	20%	0.199	C	C	.	.	H	α-helix	trans	-67.9	-38	176.4	-72.7	170.9	0	0	0	112	L383 N384 E390 L391 Y423	L383-L387 WeakPolarHBondContact O-CB 3.23Å; L383-L387 VanDerWaalsContact O-CG 3.23Å; L383-L387 WeakPolarHBondContact O-CG 3.36Å; L383-L387 PolarHBondContact O-N 3.23Å; N384-L387 PolarHBondContact O-N 3.09Å; L387-E390 PolarHBondContact O-N 3.22Å; L387-L391 VanDerWaalsContact O-CB 3.31Å; L387-L391 WeakPolarHBondContact O-CB 3.33Å; L387-L391 WeakPolarHBondContact O-CG 3.5Å; L387-L391 PolarHBondContact O-N 3.05Å; L387-Y423 HydrophobicContact CD1-CE1 4.41Å; L387-Y423 HydrophobicContact CD2-CD1 4.41Å; L387-Y423 HydrophobicContact CD2-CE1 4.35Å
388	Y	87.8	Confident	87.7	Confident	13 Å²	13	37 Å²	37	5%	0.051	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-46.2	176.1	176.7	-97.5	0	0	0	111.4	E347 I352 T355 Y359 N384 Y385 E390 S392 A393	E347-Y388 HydrophobicContact CG-CD2 3.83Å; E347-Y388 HydrophobicContact CG-CE2 3.76Å; E347-Y388 VanDerWaalsContact OE1-CD2 3.31Å; E347-Y388 WeakPolarHBondContact OE1-CD2 3.44Å; I352-Y388 WeakPolarHBondContact CA-OH 3.43Å; T355-Y388 WeakPolarHBondContact CB-OH 3.41Å; T355-Y388 HydrophobicContact CG2-CD1 4.17Å; T355-Y388 HydrophobicContact CG2-CD2 4.29Å; T355-Y388 HydrophobicContact CG2-CE1 3.62Å; T355-Y388 HydrophobicContact CG2-CE2 3.77Å; T355-Y388 HydrophobicContact CG2-CG 4.48Å; Y359-Y388 HydrophobicContact CD2-CD1 4.11Å; Y359-Y388 HydrophobicContact CD2-CG 4.46Å; Y359-Y388 AromaticContact CE2-CD1 3.74Å; Y359-Y388 HydrophobicContact CE2-CD1 3.74Å; Y359-Y388 HydrophobicContact CE2-CD2 4.26Å; Y359-Y388 HydrophobicContact CE2-CE1 4.43Å; Y359-Y388 AromaticContact CE2-CG 3.64Å; Y359-Y388 HydrophobicContact CE2-CG 3.64Å; N384-Y388 VanDerWaalsContact O-CB 3.25Å; N384-Y388 WeakPolarHBondContact O-CB 3.44Å; N384-Y388 PolarHBondContact O-N 3.12Å; Y385-Y388 PolarHBondContact O-N 3.37Å; Y388-E390 VanDerWaalsContact C-N 3.27Å; Y388-E390 PolarHBondContact O-N 2.97Å; Y388-S392 WeakPolarHBondContact O-CA 3.46Å; Y388-S392 VanDerWaalsContact O-CB 3.31Å; Y388-S392 WeakPolarHBondContact O-CB 3.47Å; Y388-S392 PolarHBondContact O-N 3.36Å; Y388-A393 PolarHBondContact O-N 2.97Å
389	E	88.3	Confident	87.7	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-33.7	176.3	-74.1	-67.3	170.7	0	0	112.5	R356 Y385 A393 I394 D395 R398 T399	R356-E389 WeakPolarHBondContact CG-OE1 3.46Å; R356-E389 IonicContact CZ-OE1 3.38Å; R356-E389 IonicContact CZ-OE2 2.76Å; R356-E389 IonicContact NE-OE1 3.91Å; R356-E389 PolarHBondContact NE-OE1 3.25Å; R356-E389 IonicContact NE-OE2 3.68Å; R356-E389 PolarHBondContact NE-OE2 3.25Å; R356-E389 IonicContact NH2-OE1 3.22Å; R356-E389 IonicContact NH2-OE2 2.82Å; R356-E389 PolarHBondContact NH2-OE2 3.33Å; Y385-E389 HydrophobicContact CD2-CG 3.94Å; Y385-E389 HydrophobicContact CE2-CG 3.61Å; Y385-E389 WeakPolarHBondContact CE2-OE1 3.37Å; Y385-E389 WeakPolarHBondContact O-CG 3.28Å; Y385-E389 PolarHBondContact O-N 2.93Å; E389-A393 CarbonylContact O-C 3.37Å; E389-A393 WeakPolarHBondContact OE2-CB 3.47Å; E389-I394 PolarHBondContact O-N 2.89Å; E389-D395 PolarHBondContact O-N 3.17Å; E389-R398 HydrophobicContact CG-CG 4.35Å; E389-R398 WeakPolarHBondContact OE1-CD 3.34Å; E389-R398 IonicContact OE1-CZ 2.8Å; E389-R398 IonicContact OE1-NE 3.83Å; E389-R398 PolarHBondContact OE1-NE 3.46Å; E389-T399 WeakPolarHBondContact CB-OG1 3.43Å
390	E	87.2	Confident	87.8	Confident	19 Å²	19	37.6 Å²	37.6	9%	0.089	19%	0.189	C	C	.	.	H	α-helix	trans	-76.6	-51.4	178.8	-176.8	173.4	-153.3	0	0	113.3	A386 L387 Y388 T399 F427 R430	A386-E390 WeakPolarHBondContact O-CB 3.44Å; A386-E390 PolarHBondContact O-N 2.72Å; L387-E390 PolarHBondContact O-N 3.22Å; Y388-E390 VanDerWaalsContact C-N 3.27Å; Y388-E390 PolarHBondContact O-N 2.97Å; E390-T399 HydrophobicContact CB-CG2 4.21Å; E390-T399 PolarHBondContact N-OG1 3.3Å; E390-F427 HydrophobicContact CG-CD2 4.4Å; E390-F427 HydrophobicContact CG-CE2 4.46Å; E390-F427 WeakPolarHBondContact OE1-CD2 3.47Å; E390-R430 VanDerWaalsContact CD-NH1 3.31Å; E390-R430 IonicContact OE1-CZ 2.91Å; E390-R430 IonicContact OE1-NE 3.48Å; E390-R430 PolarHBondContact OE1-NE 3.32Å; E390-R430 VanDerWaalsContact OE1-NE 3.12Å; E390-R430 IonicContact OE1-NH1 3.71Å; E390-R430 PolarHBondContact OE1-NH1 3.07Å; E390-R430 VanDerWaalsContact OE1-NH1 3.09Å; E390-R430 IonicContact OE1-NH2 2.75Å; E390-R430 PolarHBondContact OE1-NH2 3.29Å; E390-R430 IonicContact OE2-CZ 3.81Å; E390-R430 IonicContact OE2-NH1 3.53Å; E390-R430 PolarHBondContact OE2-NH1 2.91Å; E390-R430 IonicContact OE2-NH2 2.63Å; E390-R430 PolarHBondContact OE2-NH2 3.29Å
391	L	86.9	Confident	87.8	Confident	83 Å²	83	37.2 Å²	37.2	44%	0.435	19%	0.19	S	C	.	.	H	α-helix	trans	-86.1	-42	-171	-64.4	176.5	0	0	0	112.4	L387	L387-L391 VanDerWaalsContact O-CB 3.31Å; L387-L391 WeakPolarHBondContact O-CB 3.33Å; L387-L391 WeakPolarHBondContact O-CG 3.5Å; L387-L391 PolarHBondContact O-N 3.05Å
392	S	83.7	Confident	87.7	Confident	70 Å²	70	37.5 Å²	37.5	49%	0.49	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-50.2	-172.8	-54.3	0	0	0	0	111.5	Y388	Y388-S392 WeakPolarHBondContact O-CA 3.46Å; Y388-S392 VanDerWaalsContact O-CB 3.31Å; Y388-S392 WeakPolarHBondContact O-CB 3.47Å; Y388-S392 PolarHBondContact O-N 3.36Å
393	A	80.9	Confident	87.7	Confident	19 Å²	19	37.2 Å²	37.2	16%	0.157	19%	0.191	C	C	.	.	S	Bend	trans	-86	-18.2	-176	0	0	0	0	0	113.8	I352 Y388 E389 D395	I352-A393 HydrophobicContact CG2-CB 3.9Å; Y388-A393 PolarHBondContact O-N 2.97Å; E389-A393 CarbonylContact O-C 3.37Å; E389-A393 WeakPolarHBondContact OE2-CB 3.47Å; A393-D395 PolarHBondContact O-N 3.12Å
394	I	84.9	Confident	87.6	Confident	126 Å²	126	43.6 Å²	43.6	65%	0.646	22%	0.215	S	C	*	.			trans	56.1	30.4	178.9	-46.4	168.2	0	0	0	111.6	E389 L396	E389-I394 PolarHBondContact O-N 2.89Å; I394-L396 PolarHBondContact O-N 3.35Å
395	D	87.3	Confident	87.6	Confident	55 Å²	55	47.8 Å²	47.8	29%	0.294	23%	0.232	S	C	.	.			trans	-97.5	96	177.5	-169.2	-22.2	0	0	0	111	R356 E389 A393 E397 R398 T399	R356-D395 IonicContact NH2-OD2 3.72Å; E389-D395 PolarHBondContact O-N 3.17Å; A393-D395 PolarHBondContact O-N 3.12Å; D395-E397 PolarHBondContact O-N 3.11Å; D395-E397 PolarHBondContact OD1-N 3.26Å; D395-R398 HydrophobicContact CB-CB 3.98Å; D395-R398 PolarHBondContact OD1-N 3.47Å; D395-R398 WeakPolarHBondContact OD2-CB 3.38Å; D395-T399 WeakPolarHBondContact O-CB 3.28Å; D395-T399 PolarHBondContact O-N 2.97Å; D395-T399 PolarHBondContact O-OG1 3.12Å
396	L	86.7	Confident	87.6	Confident	68 Å²	68	47.4 Å²	47.4	36%	0.356	23%	0.231	S	C	.	.	H	α-helix	trans	-67	-36.7	-175.5	-55.9	176.6	0	0	0	112.8	I394 R400 F427	I394-L396 PolarHBondContact O-N 3.35Å; L396-R400 PolarHBondContact O-N 2.9Å; L396-F427 WeakPolarHBondContact O-CZ 3.21Å
397	E	87.5	Confident	87.4	Confident	86 Å²	86	48.3 Å²	48.3	40%	0.402	24%	0.235	S	C	.	.	H	α-helix	trans	-79.2	-37.2	-176.2	-168.1	56.4	-153.3	0	0	110.8	D395 R400 Q401	D395-E397 PolarHBondContact O-N 3.11Å; D395-E397 PolarHBondContact OD1-N 3.26Å; E397-R400 WeakPolarHBondContact O-CB 3.34Å; E397-R400 PolarHBondContact O-N 3.3Å; E397-R400 IonicContact OE2-CZ 3.09Å; E397-R400 IonicContact OE2-NH1 2.76Å; E397-R400 PolarHBondContact OE2-NH1 2.96Å; E397-Q401 WeakPolarHBondContact O-CG 3.37Å; E397-Q401 PolarHBondContact O-N 3.06Å; E397-Q401 VanDerWaalsContact O-N 3.07Å
398	R	85.4	Confident	87.3	Confident	56 Å²	56	55.4 Å²	55.4	21%	0.211	27%	0.266	C	S	.	.	H	α-helix	trans	-63.6	-43.4	172	-166.9	165.9	-173.6	154.2	1.7	111.2	E360 Y385 E389 D395 R400 Q401 V402	E360-R398 IonicContact OE1-CZ 3.78Å; E360-R398 IonicContact OE1-NH2 2.73Å; E360-R398 PolarHBondContact OE1-NH2 2.94Å; Y385-R398 PolarHBondContact OH-NE 3.39Å; Y385-R398 VanDerWaalsContact OH-NE 3.14Å; Y385-R398 PolarHBondContact OH-NH2 3.06Å; E389-R398 HydrophobicContact CG-CG 4.35Å; E389-R398 WeakPolarHBondContact OE1-CD 3.34Å; E389-R398 IonicContact OE1-CZ 2.8Å; E389-R398 IonicContact OE1-NE 3.83Å; E389-R398 PolarHBondContact OE1-NE 3.46Å; D395-R398 HydrophobicContact CB-CB 3.98Å; D395-R398 PolarHBondContact OD1-N 3.47Å; D395-R398 WeakPolarHBondContact OD2-CB 3.38Å; R398-R400 VanDerWaalsContact C-N 3.28Å; R398-R400 PolarHBondContact O-N 3.13Å; R398-Q401 CarbonylContact O-C 3.45Å; R398-Q401 WeakPolarHBondContact O-CA 3.32Å; R398-Q401 WeakPolarHBondContact O-CB 3.41Å; R398-Q401 PolarHBondContact O-N 3.45Å; R398-V402 HydrophobicContact CG-CG2 4.42Å; R398-V402 VanDerWaalsContact O-CG2 3.31Å; R398-V402 WeakPolarHBondContact O-CG2 3.5Å; R398-V402 PolarHBondContact O-N 3.48Å
399	T	89	Confident	87.2	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-55.7	-42.1	175.3	-56.1	0	0	0	0	112.1	A386 E389 E390 D395 Q401 V402 Y403 F427	A386-T399 HydrophobicContact CB-CG2 4.44Å; E389-T399 WeakPolarHBondContact CB-OG1 3.43Å; E390-T399 HydrophobicContact CB-CG2 4.21Å; E390-T399 PolarHBondContact N-OG1 3.3Å; D395-T399 WeakPolarHBondContact O-CB 3.28Å; D395-T399 PolarHBondContact O-N 2.97Å; D395-T399 PolarHBondContact O-OG1 3.12Å; T399-Q401 PolarHBondContact O-N 3.14Å; T399-V402 PolarHBondContact O-N 3.06Å; T399-Y403 HydrophobicContact CG2-CD2 3.96Å; T399-Y403 HydrophobicContact CG2-CE2 3.69Å; T399-Y403 WeakPolarHBondContact O-CD2 3.15Å; T399-Y403 PolarHBondContact O-N 3.24Å; T399-F427 HydrophobicContact CG2-CD2 3.47Å; T399-F427 VanDerWaalsContact CG2-CD2 3.47Å; T399-F427 HydrophobicContact CG2-CE1 4.5Å; T399-F427 HydrophobicContact CG2-CE2 3.28Å; T399-F427 HydrophobicContact CG2-CG 4.16Å; T399-F427 HydrophobicContact CG2-CZ 3.86Å
400	R	90.2	Very high	86.9	Confident	18 Å²	18	58.7 Å²	58.7	7%	0.068	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-44.5	172.9	-74.5	-173.7	-173.4	103.1	16.1	112.7	L396 E397 R398 Y403 R404 F427 E428 Q431	L396-R400 PolarHBondContact O-N 2.9Å; E397-R400 WeakPolarHBondContact O-CB 3.34Å; E397-R400 PolarHBondContact O-N 3.3Å; E397-R400 IonicContact OE2-CZ 3.09Å; E397-R400 IonicContact OE2-NH1 2.76Å; E397-R400 PolarHBondContact OE2-NH1 2.96Å; R398-R400 VanDerWaalsContact C-N 3.28Å; R398-R400 PolarHBondContact O-N 3.13Å; R400-Y403 PolarHBondContact O-N 2.69Å; R400-R404 WeakPolarHBondContact O-CB 3.49Å; R400-R404 VanDerWaalsContact O-CG 3.28Å; R400-R404 WeakPolarHBondContact O-CG 3.28Å; R400-R404 PolarHBondContact O-N 3.36Å; R400-F427 HydrophobicContact CB-CE1 4.46Å; R400-F427 HydrophobicContact CG-CD1 4.32Å; R400-F427 HydrophobicContact CG-CE1 3.33Å; R400-F427 HydrophobicContact CG-CZ 3.91Å; R400-E428 WeakPolarHBondContact CD-OE1 3.36Å; R400-E428 WeakPolarHBondContact CG-OE1 3.4Å; R400-E428 IonicContact CZ-OE2 3.23Å; R400-E428 IonicContact NE-OE1 3.41Å; R400-E428 PolarHBondContact NE-OE1 2.92Å; R400-E428 IonicContact NE-OE2 3.9Å; R400-E428 PolarHBondContact NE-OE2 3.38Å; R400-E428 VanDerWaalsContact NE-OE2 3.13Å; R400-E428 IonicContact NH2-OE2 3.56Å; R400-Q431 VanDerWaalsContact NH2-CB 3.33Å
401	Q	89.2	Confident	86.6	Confident	88 Å²	88	59.1 Å²	59.1	41%	0.411	29%	0.288	S	S	.	.	H	α-helix	trans	-62.3	-45.4	178.6	-68.2	172.8	19.9	0	0	110.6	E397 R398 T399 Y403 R404 F405	E397-Q401 WeakPolarHBondContact O-CG 3.37Å; E397-Q401 PolarHBondContact O-N 3.06Å; E397-Q401 VanDerWaalsContact O-N 3.07Å; R398-Q401 CarbonylContact O-C 3.45Å; R398-Q401 WeakPolarHBondContact O-CA 3.32Å; R398-Q401 WeakPolarHBondContact O-CB 3.41Å; R398-Q401 PolarHBondContact O-N 3.45Å; T399-Q401 PolarHBondContact O-N 3.14Å; Q401-Y403 PolarHBondContact O-N 2.67Å; Q401-R404 PolarHBondContact O-N 3.14Å; Q401-R404 VanDerWaalsContact O-N 3.15Å; Q401-F405 HydrophobicContact CB-CD2 4.18Å; Q401-F405 HydrophobicContact CB-CE2 4.04Å; Q401-F405 WeakPolarHBondContact O-CB 3.03Å; Q401-F405 WeakPolarHBondContact O-CD2 3.49Å; Q401-F405 PolarHBondContact O-N 3.42Å
402	V	88.7	Confident	86.2	Confident	6 Å²	6	56.3 Å²	56.3	4%	0.036	27%	0.272	C	S	.	.	H	α-helix	trans	-55.7	-50.9	177.1	173.8	0	0	0	0	110.9	W382 Y385 A386 R398 T399 R404 F405 C406	W382-V402 HydrophobicContact CE3-CG1 3.58Å; W382-V402 HydrophobicContact CZ3-CB 4.38Å; W382-V402 HydrophobicContact CZ3-CG1 3.75Å; W382-V402 VanDerWaalsContact CZ3-O 3.28Å; W382-V402 WeakPolarHBondContact CZ3-O 3.43Å; Y385-V402 HydrophobicContact CD1-CB 4.33Å; Y385-V402 HydrophobicContact CD1-CG1 3.58Å; Y385-V402 HydrophobicContact CD1-CG2 3.69Å; Y385-V402 HydrophobicContact CE1-CB 4.4Å; Y385-V402 HydrophobicContact CE1-CG1 4.12Å; Y385-V402 HydrophobicContact CE1-CG2 3.35Å; Y385-V402 HydrophobicContact CE2-CG2 4.44Å; Y385-V402 HydrophobicContact CG-CG1 4.12Å; Y385-V402 HydrophobicContact CG-CG2 4.38Å; A386-V402 HydrophobicContact CB-CG1 3.87Å; R398-V402 HydrophobicContact CG-CG2 4.42Å; R398-V402 VanDerWaalsContact O-CG2 3.31Å; R398-V402 WeakPolarHBondContact O-CG2 3.5Å; R398-V402 PolarHBondContact O-N 3.48Å; T399-V402 PolarHBondContact O-N 3.06Å; V402-R404 PolarHBondContact O-N 2.82Å; V402-F405 PolarHBondContact O-N 3.45Å; V402-C406 WeakPolarHBondContact O-CB 3.43Å; V402-C406 PolarHBondContact O-N 3.15Å
403	Y	90.6	Very high	85.8	Confident	10 Å²	10	65 Å²	65	4%	0.039	29%	0.294	C	S	.	.	H	α-helix	trans	-61.2	-44.4	175.5	-77.9	-58.5	0	0	0	112.6	L383 A386 T399 R400 Q401 F405 C406 L407 A424 F427	L383-Y403 HydrophobicContact CD2-CE1 4.41Å; A386-Y403 HydrophobicContact CB-CD1 4.36Å; A386-Y403 HydrophobicContact CB-CD2 4.37Å; A386-Y403 HydrophobicContact CB-CE1 3.79Å; A386-Y403 HydrophobicContact CB-CE2 3.82Å; A386-Y403 VanDerWaalsContact CB-CZ 3.48Å; T399-Y403 HydrophobicContact CG2-CD2 3.96Å; T399-Y403 HydrophobicContact CG2-CE2 3.69Å; T399-Y403 WeakPolarHBondContact O-CD2 3.15Å; T399-Y403 PolarHBondContact O-N 3.24Å; R400-Y403 PolarHBondContact O-N 2.69Å; Q401-Y403 PolarHBondContact O-N 2.67Å; Y403-F405 PolarHBondContact O-N 3.22Å; Y403-C406 PolarHBondContact O-N 3.39Å; Y403-L407 WeakPolarHBondContact O-CB 3.4Å; Y403-L407 WeakPolarHBondContact O-CG 3.15Å; Y403-L407 PolarHBondContact O-N 3.1Å; Y403-A424 HydrophobicContact CD1-CB 3.75Å; Y403-A424 HydrophobicContact CD2-CB 4.39Å; Y403-A424 HydrophobicContact CE1-CB 4.25Å; Y403-A424 HydrophobicContact CG-CB 3.85Å; Y403-F427 HydrophobicContact CD2-CB 4.29Å; Y403-F427 HydrophobicContact CD2-CD1 4.28Å; Y403-F427 HydrophobicContact CD2-CG 4.16Å; Y403-F427 HydrophobicContact CE2-CB 3.7Å; Y403-F427 HydrophobicContact CE2-CD1 4.38Å; Y403-F427 HydrophobicContact CE2-CD2 4.21Å; Y403-F427 AromaticContact CE2-CG 3.81Å; Y403-F427 HydrophobicContact CE2-CG 3.81Å
404	R	89.3	Confident	85.5	Confident	138 Å²	138	72.4 Å²	72.4	52%	0.521	32%	0.318	S	S	.	.	H	α-helix	trans	-62.6	-40.8	178.9	-75.9	175.3	175.8	179.7	0.7	112.5	R400 Q401 V402 K408	R400-R404 WeakPolarHBondContact O-CB 3.49Å; R400-R404 VanDerWaalsContact O-CG 3.28Å; R400-R404 WeakPolarHBondContact O-CG 3.28Å; R400-R404 PolarHBondContact O-N 3.36Å; Q401-R404 PolarHBondContact O-N 3.14Å; Q401-R404 VanDerWaalsContact O-N 3.15Å; V402-R404 PolarHBondContact O-N 2.82Å; R404-K408 WeakPolarHBondContact O-CG 3.45Å; R404-K408 PolarHBondContact O-N 3.26Å; R404-K408 VanDerWaalsContact O-N 3.12Å
405	F	88.7	Confident	85.2	Confident	116 Å²	116	67.1 Å²	67.1	51%	0.509	29%	0.291	S	S	.	.	H	α-helix	trans	-67.6	-45.9	176.6	-76.1	-61.5	0	0	0	111.3	W382 Q401 V402 Y403 L407 K408 L409	W382-F405 HydrophobicContact CH2-CB 3.7Å; W382-F405 HydrophobicContact CZ3-CB 4.1Å; Q401-F405 HydrophobicContact CB-CD2 4.18Å; Q401-F405 HydrophobicContact CB-CE2 4.04Å; Q401-F405 WeakPolarHBondContact O-CB 3.03Å; Q401-F405 WeakPolarHBondContact O-CD2 3.49Å; Q401-F405 PolarHBondContact O-N 3.42Å; V402-F405 PolarHBondContact O-N 3.45Å; Y403-F405 PolarHBondContact O-N 3.22Å; F405-L407 VanDerWaalsContact C-N 3.32Å; F405-L407 PolarHBondContact O-N 2.67Å; F405-K408 PolarHBondContact O-N 2.98Å; F405-K408 VanDerWaalsContact O-N 3.15Å; F405-L409 WeakPolarHBondContact O-CG 3.48Å; F405-L409 PolarHBondContact O-N 3.4Å; F405-L409 VanDerWaalsContact O-N 3.07Å
406	C	87.9	Confident	84.6	Confident	3 Å²	3	65.5 Å²	65.5	2%	0.02	28%	0.283	C	S	.	.	H	α-helix	trans	-55.1	-48.4	175.1	-172.3	0	0	0	0	111.6	W382 V402 Y403 K408 L409 I410	W382-C406 HydrophobicContact CB-CB 4.28Å; W382-C406 VanDerWaalsContact CB-SG 3.57Å; W382-C406 HydrophobicContact CD2-CB 3.66Å; W382-C406 HydrophobicContact CE3-CB 3.65Å; W382-C406 HydrophobicContact CG-CB 3.98Å; W382-C406 HydrophobicContact CZ3-CB 4.19Å; V402-C406 WeakPolarHBondContact O-CB 3.43Å; V402-C406 PolarHBondContact O-N 3.15Å; Y403-C406 PolarHBondContact O-N 3.39Å; C406-K408 VanDerWaalsContact C-N 3.32Å; C406-K408 PolarHBondContact O-N 3.04Å; C406-L409 PolarHBondContact O-N 3.38Å; C406-I410 WeakPolarHBondContact O-CG1 3.32Å; C406-I410 PolarHBondContact O-N 3.26Å
407	L	86.6	Confident	84.4	Confident	18 Å²	18	63.4 Å²	63.4	9%	0.094	27%	0.271	C	S	.	.	H	α-helix	trans	-65.2	-31.3	179.6	-69.6	175.1	0	0	0	113	Y403 F405 H412 I420 W421 L440	Y403-L407 WeakPolarHBondContact O-CB 3.4Å; Y403-L407 WeakPolarHBondContact O-CG 3.15Å; Y403-L407 PolarHBondContact O-N 3.1Å; F405-L407 VanDerWaalsContact C-N 3.32Å; F405-L407 PolarHBondContact O-N 2.67Å; L407-H412 PolarHBondContact O-NE2 2.86Å; L407-I420 HydrophobicContact CD2-CG2 3.86Å; L407-I420 HydrophobicContact CG-CG2 4.48Å; L407-W421 HydrophobicContact CD1-CE3 3.94Å; L407-W421 HydrophobicContact CD1-CH2 4.07Å; L407-W421 HydrophobicContact CD1-CZ3 3.65Å; L407-W421 HydrophobicContact CD2-CD2 3.62Å; L407-W421 HydrophobicContact CD2-CE3 3.8Å; L407-W421 HydrophobicContact CD2-CG 4.29Å; L407-W421 HydrophobicContact CD2-CH2 3.87Å; L407-W421 HydrophobicContact CD2-CZ2 3.7Å; L407-W421 HydrophobicContact CD2-CZ3 3.93Å; L407-W421 HydrophobicContact CG-CH2 4.38Å; L407-W421 HydrophobicContact CG-CZ3 4.35Å; L407-L440 HydrophobicContact CD1-CD2 4.07Å
408	K	86.2	Confident	84.2	Confident	172 Å²	172	59.9 Å²	59.9	75%	0.748	26%	0.256	S	S	*	.	H	α-helix	trans	-73.6	-33	175.1	-76	176	-179.2	179.6	0	113.1	R404 F405 C406	R404-K408 WeakPolarHBondContact O-CG 3.45Å; R404-K408 PolarHBondContact O-N 3.26Å; R404-K408 VanDerWaalsContact O-N 3.12Å; F405-K408 PolarHBondContact O-N 2.98Å; F405-K408 VanDerWaalsContact O-N 3.15Å; C406-K408 VanDerWaalsContact C-N 3.32Å; C406-K408 PolarHBondContact O-N 3.04Å
409	L	85.6	Confident	84.2	Confident	73 Å²	73	60.9 Å²	60.9	38%	0.382	26%	0.263	S	S	.	.	H	α-helix	trans	-75.4	-31.4	-176.3	-75.4	164.6	0	0	0	113.1	W382 F405 C406 P411	W382-L409 HydrophobicContact CH2-CD1 4.12Å; W382-L409 HydrophobicContact CZ2-CD1 3.32Å; F405-L409 WeakPolarHBondContact O-CG 3.48Å; F405-L409 PolarHBondContact O-N 3.4Å; F405-L409 VanDerWaalsContact O-N 3.07Å; C406-L409 PolarHBondContact O-N 3.38Å; L409-P411 WeakPolarHBondContact O-CD 3.47Å
410	I	82.7	Confident	84.2	Confident	9 Å²	9	61 Å²	61	5%	0.046	26%	0.263	C	S	.	.	S	Bend	trans	-71	125.9	-174.8	-68.1	164.8	0	0	0	111	W375 I379 C406 H412 F415 I420	W375-I410 HydrophobicContact CE3-CG1 4.37Å; W375-I410 HydrophobicContact CZ3-CG1 4.17Å; I379-I410 HydrophobicContact CD1-CD1 4.1Å; I379-I410 HydrophobicContact CD1-CG1 4.43Å; I379-I410 HydrophobicContact CG1-CD1 4.2Å; C406-I410 WeakPolarHBondContact O-CG1 3.32Å; C406-I410 PolarHBondContact O-N 3.26Å; I410-H412 PolarHBondContact O-CD2 3.47Å; I410-H412 PolarHBondContact O-N 3.25Å; I410-F415 HydrophobicContact CG2-CD2 4.48Å; I410-F415 HydrophobicContact CG2-CE2 3.93Å; I410-I420 HydrophobicContact CD1-CD1 3.17Å
411	P	79.6	Confident	84.2	Confident	28 Å²	28	60.5 Å²	60.5	18%	0.182	26%	0.261	C	S	.	.			trans	-72.1	75.2	171.4	-12.6	27.2	0	0	0	111.5	K370 W375 L409 R413 R414 F415	K370-P411 HydrophobicContact CD-CG 4.42Å; K370-P411 HydrophobicContact CG-CG 4.48Å; W375-P411 HydrophobicContact CH2-CG 3.92Å; W375-P411 HydrophobicContact CZ2-CG 3.95Å; L409-P411 WeakPolarHBondContact O-CD 3.47Å; P411-R413 PolarHBondContact O-N 3.03Å; P411-R414 PolarHBondContact O-N 3.15Å; P411-F415 HydrophobicContact CG-CE1 4.47Å; P411-F415 HydrophobicContact CG-CZ 4.12Å; P411-F415 PolarHBondContact O-N 3.36Å
412	H	79.4	Confident	84.2	Confident	23 Å²	23	57.7 Å²	57.7	11%	0.106	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-23.5	-177.1	-62.2	-68.4	0	0	0	114.1	L407 I410 R414 F415 T416 W421	L407-H412 PolarHBondContact O-NE2 2.86Å; I410-H412 PolarHBondContact O-CD2 3.47Å; I410-H412 PolarHBondContact O-N 3.25Å; H412-R414 VanDerWaalsContact C-N 3.33Å; H412-R414 PolarHBondContact O-N 3.3Å; H412-F415 WeakPolarHBondContact CA-O 3.32Å; H412-T416 WeakPolarHBondContact O-CG2 3.35Å; H412-W421 AromaticContact CE1-CE2 3.82Å; H412-W421 AromaticContact CE1-CZ2 3.56Å; H412-W421 AromaticContact CE1-NE1 3.6Å; H412-W421 AromaticContact ND1-NE1 3.72Å; H412-W421 AromaticContact NE2-CZ2 3.81Å
413	R	75.9	Confident	84.3	Confident	252 Å²	252	59.8 Å²	59.8	95%	0.951	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-25.6	176.3	-65.7	-173.5	179.3	-179	-0.2	114.2	P411	P411-R413 PolarHBondContact O-N 3.03Å
414	R	74.6	Confident	84.2	Confident	175 Å²	175	59.4 Å²	59.4	66%	0.66	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-42.8	-176.5	-70.7	-170.1	176.4	-162.8	-1.1	112.3	P411 H412	P411-R414 PolarHBondContact O-N 3.15Å; H412-R414 VanDerWaalsContact C-N 3.33Å; H412-R414 PolarHBondContact O-N 3.3Å
415	F	78.5	Confident	84.3	Confident	15 Å²	15	52.9 Å²	52.9	7%	0.066	23%	0.231	C	C	.	.			trans	-149.7	157.3	178.3	54.8	-102	0	0	0	109.3	K372 W375 I410 P411 H412 F417	K372-F415 HydrophobicContact CB-CB 3.97Å; K372-F415 HydrophobicContact CB-CD1 4.42Å; K372-F415 HydrophobicContact CB-CG 4.15Å; K372-F415 HydrophobicContact CD-CB 4.38Å; K372-F415 HydrophobicContact CG-CB 4.12Å; K372-F415 HydrophobicContact CG-CG 4.4Å; W375-F415 HydrophobicContact CB-CE2 4.04Å; W375-F415 HydrophobicContact CB-CZ 3.95Å; W375-F415 AromaticContact CD1-CZ 3.71Å; W375-F415 HydrophobicContact CD2-CE1 4.28Å; W375-F415 AromaticContact CD2-CE2 3.92Å; W375-F415 HydrophobicContact CD2-CE2 3.92Å; W375-F415 AromaticContact CD2-CZ 3.31Å; W375-F415 HydrophobicContact CD2-CZ 3.31Å; W375-F415 AromaticContact CE2-CZ 3.65Å; W375-F415 HydrophobicContact CE3-CE2 4.05Å; W375-F415 AromaticContact CE3-CZ 3.79Å; W375-F415 HydrophobicContact CE3-CZ 3.79Å; W375-F415 HydrophobicContact CG-CE1 4.07Å; W375-F415 AromaticContact CG-CE2 3.91Å; W375-F415 HydrophobicContact CG-CE2 3.91Å; W375-F415 AromaticContact CG-CZ 3.35Å; W375-F415 HydrophobicContact CG-CZ 3.35Å; W375-F415 HydrophobicContact CZ2-CZ 4.37Å; W375-F415 HydrophobicContact CZ3-CZ 4.48Å; W375-F415 AromaticContact NE1-CZ 3.87Å; I410-F415 HydrophobicContact CG2-CD2 4.48Å; I410-F415 HydrophobicContact CG2-CE2 3.93Å; P411-F415 HydrophobicContact CG-CE1 4.47Å; P411-F415 HydrophobicContact CG-CZ 4.12Å; P411-F415 PolarHBondContact O-N 3.36Å; H412-F415 WeakPolarHBondContact CA-O 3.32Å; F415-F417 AromaticContact CD2-CD2 3.54Å; F415-F417 HydrophobicContact CD2-CD2 3.54Å; F415-F417 AromaticContact CD2-CE2 3.16Å; F415-F417 HydrophobicContact CD2-CE2 3.16Å; F415-F417 HydrophobicContact CD2-CZ 4.22Å; F415-F417 AromaticContact CE2-CD2 3.8Å; F415-F417 HydrophobicContact CE2-CD2 3.8Å; F415-F417 AromaticContact CE2-CE2 3.32Å; F415-F417 HydrophobicContact CE2-CE2 3.32Å; F415-F417 HydrophobicContact CE2-CZ 4.47Å; F415-F417 HydrophobicContact CG-CE2 4.22Å; F415-F417 HydrophobicContact CZ-CE2 4.45Å
416	T	74.3	Confident	84.3	Confident	21 Å²	21	51.8 Å²	51.8	13%	0.129	23%	0.226	C	C	.	.			trans	-133.1	135.6	-170.7	65.9	0	0	0	0	109.7	H412 C448 K450	H412-T416 WeakPolarHBondContact O-CG2 3.35Å; T416-C448 VanDerWaalsContact CB-CB 3.44Å; T416-C448 HydrophobicContact CG2-CB 3.13Å; T416-K450 PolarHBondContact O-NZ 2.97Å; T416-K450 VanDerWaalsContact OG1-CD 3.32Å; T416-K450 WeakPolarHBondContact OG1-CD 3.26Å; T416-K450 WeakPolarHBondContact OG1-CE 3.46Å; T416-K450 PolarHBondContact OG1-NZ 3.35Å
417	F	81.5	Confident	84.5	Confident	24 Å²	24	51.7 Å²	51.7	11%	0.105	23%	0.225	C	C	.	.			trans	-118	90.8	-177.9	-75.3	-81.7	0	0	0	109.7	K372 W375 R376 I379 F415 K419 I420	K372-F417 HydrophobicContact CG-CE1 4.17Å; K372-F417 HydrophobicContact CG-CE2 4.23Å; K372-F417 HydrophobicContact CG-CZ 3.65Å; W375-F417 HydrophobicContact CB-CE2 3.91Å; W375-F417 HydrophobicContact CB-CZ 4.01Å; R376-F417 HydrophobicContact CG-CE1 3.95Å; R376-F417 HydrophobicContact CG-CZ 4.2Å; I379-F417 HydrophobicContact CD1-CB 4.12Å; I379-F417 HydrophobicContact CD1-CD1 3.78Å; I379-F417 HydrophobicContact CD1-CD2 3Å; I379-F417 HydrophobicContact CD1-CE1 3.83Å; I379-F417 HydrophobicContact CD1-CE2 3.01Å; I379-F417 HydrophobicContact CD1-CG 3.37Å; I379-F417 HydrophobicContact CD1-CZ 3.46Å; I379-F417 VanDerWaalsContact CD1-CZ 3.46Å; I379-F417 HydrophobicContact CG1-CD2 4.47Å; I379-F417 HydrophobicContact CG1-CE2 4.5Å; F415-F417 AromaticContact CD2-CD2 3.54Å; F415-F417 HydrophobicContact CD2-CD2 3.54Å; F415-F417 AromaticContact CD2-CE2 3.16Å; F415-F417 HydrophobicContact CD2-CE2 3.16Å; F415-F417 HydrophobicContact CD2-CZ 4.22Å; F415-F417 AromaticContact CE2-CD2 3.8Å; F415-F417 HydrophobicContact CE2-CD2 3.8Å; F415-F417 AromaticContact CE2-CE2 3.32Å; F415-F417 HydrophobicContact CE2-CE2 3.32Å; F415-F417 HydrophobicContact CE2-CZ 4.47Å; F415-F417 HydrophobicContact CG-CE2 4.22Å; F415-F417 HydrophobicContact CZ-CE2 4.45Å; F417-K419 PolarHBondContact O-N 2.93Å; F417-I420 HydrophobicContact CB-CD1 3.94Å; F417-I420 HydrophobicContact CB-CG1 4.26Å; F417-I420 PolarHBondContact O-N 2.92Å
418	A	83.7	Confident	84.6	Confident	12 Å²	12	51.2 Å²	51.2	10%	0.099	22%	0.222	C	C	.	.	H	α-helix	trans	-55.2	-36.4	-179.3	0	0	0	0	0	112.8	I420 W421 L422 K452 L453	A418-I420 PolarHBondContact O-N 3.37Å; A418-W421 PolarHBondContact O-N 3.34Å; A418-L422 WeakPolarHBondContact O-CG 3.2Å; A418-L422 PolarHBondContact O-N 2.84Å; A418-L422 VanDerWaalsContact O-N 3.09Å; A418-K452 HydrophobicContact CB-CB 4.14Å; A418-L453 HydrophobicContact CB-CD1 4.3Å; A418-L453 HydrophobicContact CB-CD2 3.91Å; A418-L453 HydrophobicContact CB-CG 3.67Å
419	K	86.6	Confident	84.8	Confident	78 Å²	78	45.1 Å²	45.1	34%	0.339	20%	0.198	S	C	.	.	H	α-helix	trans	-57.9	-44.3	-176.9	-167.9	166.9	179	168.4	0	112.2	Y380 L383 F417 W421 L422 Y423	Y380-K419 HydrophobicContact CE1-CD 4.46Å; L383-K419 HydrophobicContact CD1-CD 4.1Å; L383-K419 HydrophobicContact CD1-CG 4.11Å; F417-K419 PolarHBondContact O-N 2.93Å; K419-W421 PolarHBondContact O-N 3.43Å; K419-L422 PolarHBondContact O-N 3.34Å; K419-Y423 HydrophobicContact CD-CE2 4.2Å; K419-Y423 HydrophobicContact CG-CD2 3.75Å; K419-Y423 HydrophobicContact CG-CE2 3.59Å; K419-Y423 WeakPolarHBondContact O-CD2 3.22Å; K419-Y423 PolarHBondContact O-N 2.87Å
420	I	88.4	Confident	84.9	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-43.6	-177.3	-56.9	171	0	0	0	111.4	I379 L383 L407 I410 F417 A418 Y423 A424	I379-I420 HydrophobicContact CB-CD1 4.06Å; I379-I420 HydrophobicContact CD1-CD1 3.88Å; I379-I420 HydrophobicContact CG1-CD1 3.71Å; I379-I420 HydrophobicContact CG2-CD1 3.29Å; I379-I420 HydrophobicContact CG2-CG1 3.5Å; L383-I420 HydrophobicContact CD2-CG1 4.39Å; L407-I420 HydrophobicContact CD2-CG2 3.86Å; L407-I420 HydrophobicContact CG-CG2 4.48Å; I410-I420 HydrophobicContact CD1-CD1 3.17Å; F417-I420 HydrophobicContact CB-CD1 3.94Å; F417-I420 HydrophobicContact CB-CG1 4.26Å; F417-I420 PolarHBondContact O-N 2.92Å; A418-I420 PolarHBondContact O-N 3.37Å; I420-Y423 PolarHBondContact O-N 3.48Å; I420-A424 WeakPolarHBondContact O-CB 3.5Å; I420-A424 PolarHBondContact O-N 3.29Å
421	W	90.3	Very high	85.1	Confident	7 Å²	7	48.9 Å²	48.9	3%	0.027	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-43.1	178.4	-71	108.4	0	0	0	112	L407 H412 A418 K419 A424 A425 L440 A444 M447 L453	L407-W421 HydrophobicContact CD1-CE3 3.94Å; L407-W421 HydrophobicContact CD1-CH2 4.07Å; L407-W421 HydrophobicContact CD1-CZ3 3.65Å; L407-W421 HydrophobicContact CD2-CD2 3.62Å; L407-W421 HydrophobicContact CD2-CE3 3.8Å; L407-W421 HydrophobicContact CD2-CG 4.29Å; L407-W421 HydrophobicContact CD2-CH2 3.87Å; L407-W421 HydrophobicContact CD2-CZ2 3.7Å; L407-W421 HydrophobicContact CD2-CZ3 3.93Å; L407-W421 HydrophobicContact CG-CH2 4.38Å; L407-W421 HydrophobicContact CG-CZ3 4.35Å; H412-W421 AromaticContact CE1-CE2 3.82Å; H412-W421 AromaticContact CE1-CZ2 3.56Å; H412-W421 AromaticContact CE1-NE1 3.6Å; H412-W421 AromaticContact ND1-NE1 3.72Å; H412-W421 AromaticContact NE2-CZ2 3.81Å; A418-W421 PolarHBondContact O-N 3.34Å; K419-W421 PolarHBondContact O-N 3.43Å; W421-A424 PolarHBondContact O-N 3.23Å; W421-A425 WeakPolarHBondContact O-CB 3.27Å; W421-A425 PolarHBondContact O-N 3.37Å; W421-L440 HydrophobicContact CZ3-CD2 4.18Å; W421-A444 HydrophobicContact CB-CB 3.96Å; W421-A444 HydrophobicContact CD2-CB 3.4Å; W421-A444 VanDerWaalsContact CD2-CB 3.4Å; W421-A444 HydrophobicContact CE3-CB 3.56Å; W421-A444 HydrophobicContact CG-CB 3.61Å; W421-A444 HydrophobicContact CZ2-CB 4.47Å; W421-A444 HydrophobicContact CZ3-CB 4.16Å; W421-M447 HydrophobicContact CH2-CE 3.47Å; W421-M447 VanDerWaalsContact CH2-CE 3.47Å; W421-M447 HydrophobicContact CZ2-CE 3.82Å; W421-L453 HydrophobicContact CB-CD2 3.76Å; W421-L453 HydrophobicContact CG-CD2 4.46Å
422	L	89.8	Confident	85.4	Confident	30 Å²	30	56.6 Å²	56.6	16%	0.157	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-42.5	176.2	-67.2	175.4	0	0	0	111.9	A418 K419 A425 K426 L441 L453	A418-L422 WeakPolarHBondContact O-CG 3.2Å; A418-L422 PolarHBondContact O-N 2.84Å; A418-L422 VanDerWaalsContact O-N 3.09Å; K419-L422 PolarHBondContact O-N 3.34Å; L422-A425 PolarHBondContact O-N 3.41Å; L422-K426 WeakPolarHBondContact O-CB 3.34Å; L422-K426 VanDerWaalsContact O-CG 3.32Å; L422-K426 WeakPolarHBondContact O-CG 3.36Å; L422-K426 PolarHBondContact O-N 2.94Å; L422-L441 HydrophobicContact CD2-CD2 4.15Å; L422-L453 HydrophobicContact CD2-CD2 4.32Å; L422-L453 HydrophobicContact CG-CD2 4.17Å
423	Y	89.4	Confident	85.9	Confident	50 Å²	50	59.2 Å²	59.2	20%	0.196	25%	0.25	C	C	.	.	H	α-helix	trans	-66.1	-43.1	177.3	-86	-109.7	0	0	0	111.7	L383 L387 K419 I420 A425 K426 F427	L383-Y423 HydrophobicContact CD2-CD1 4.26Å; L383-Y423 HydrophobicContact CD2-CG 4Å; L387-Y423 HydrophobicContact CD1-CE1 4.41Å; L387-Y423 HydrophobicContact CD2-CD1 4.41Å; L387-Y423 HydrophobicContact CD2-CE1 4.35Å; K419-Y423 HydrophobicContact CD-CE2 4.2Å; K419-Y423 HydrophobicContact CG-CD2 3.75Å; K419-Y423 HydrophobicContact CG-CE2 3.59Å; K419-Y423 WeakPolarHBondContact O-CD2 3.22Å; K419-Y423 PolarHBondContact O-N 2.87Å; I420-Y423 PolarHBondContact O-N 3.48Å; Y423-A425 VanDerWaalsContact C-N 3.31Å; Y423-A425 PolarHBondContact O-N 3.08Å; Y423-K426 PolarHBondContact O-N 3.25Å; Y423-F427 WeakPolarHBondContact O-CB 3.45Å; Y423-F427 PolarHBondContact O-N 3.07Å
424	A	90	Very high	86.5	Confident	2 Å²	2	50.1 Å²	50.1	2%	0.017	22%	0.22	C	C	.	.	H	α-helix	trans	-61.9	-38.5	175.1	0	0	0	0	0	112.1	Y403 I420 W421 E428	Y403-A424 HydrophobicContact CD1-CB 3.75Å; Y403-A424 HydrophobicContact CD2-CB 4.39Å; Y403-A424 HydrophobicContact CE1-CB 4.25Å; Y403-A424 HydrophobicContact CG-CB 3.85Å; I420-A424 WeakPolarHBondContact O-CB 3.5Å; I420-A424 PolarHBondContact O-N 3.29Å; W421-A424 PolarHBondContact O-N 3.23Å; A424-E428 PolarHBondContact O-N 3.26Å; A424-E428 VanDerWaalsContact O-N 3.11Å
425	A	89.7	Confident	87.3	Confident	0 Å²	0	46 Å²	46	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-69.1	-45.7	175.7	0	0	0	0	0	112.2	W421 L422 Y423 F427 E428 I429 L441 L460	W421-A425 WeakPolarHBondContact O-CB 3.27Å; W421-A425 PolarHBondContact O-N 3.37Å; L422-A425 PolarHBondContact O-N 3.41Å; Y423-A425 VanDerWaalsContact C-N 3.31Å; Y423-A425 PolarHBondContact O-N 3.08Å; A425-F427 VanDerWaalsContact C-N 3.26Å; A425-F427 PolarHBondContact O-N 3.43Å; A425-E428 PolarHBondContact O-N 3.44Å; A425-E428 VanDerWaalsContact O-N 3.17Å; A425-I429 VanDerWaalsContact O-CG1 3.27Å; A425-I429 WeakPolarHBondContact O-CG1 3.43Å; A425-I429 PolarHBondContact O-N 3.12Å; A425-L441 HydrophobicContact CB-CD1 3.69Å; A425-L441 HydrophobicContact CB-CD2 3.64Å; A425-L441 HydrophobicContact CB-CG 3.54Å; A425-L460 HydrophobicContact CB-CD1 4.41Å
426	K	90.3	Very high	87.8	Confident	93 Å²	93	47.6 Å²	47.6	40%	0.404	22%	0.223	S	C	.	.	H	α-helix	trans	-59.5	-37.2	174.3	-75.3	-176.4	177.6	-162.4	0	112	L422 Y423 I429 R430 L460	L422-K426 WeakPolarHBondContact O-CB 3.34Å; L422-K426 VanDerWaalsContact O-CG 3.32Å; L422-K426 WeakPolarHBondContact O-CG 3.36Å; L422-K426 PolarHBondContact O-N 2.94Å; Y423-K426 PolarHBondContact O-N 3.25Å; K426-I429 PolarHBondContact O-N 3.38Å; K426-R430 WeakPolarHBondContact O-CG 3.49Å; K426-R430 PolarHBondContact O-N 3.15Å; K426-L460 HydrophobicContact CG-CD2 4.23Å
427	F	90.6	Very high	88.5	Confident	1 Å²	1	46.7 Å²	46.7	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-59.3	-53.8	171.2	171.7	-89.9	0	0	0	111.3	E390 L396 T399 R400 Y403 Y423 A425 I429 R430 Q431	E390-F427 HydrophobicContact CG-CD2 4.4Å; E390-F427 HydrophobicContact CG-CE2 4.46Å; E390-F427 WeakPolarHBondContact OE1-CD2 3.47Å; L396-F427 WeakPolarHBondContact O-CZ 3.21Å; T399-F427 HydrophobicContact CG2-CD2 3.47Å; T399-F427 VanDerWaalsContact CG2-CD2 3.47Å; T399-F427 HydrophobicContact CG2-CE1 4.5Å; T399-F427 HydrophobicContact CG2-CE2 3.28Å; T399-F427 HydrophobicContact CG2-CG 4.16Å; T399-F427 HydrophobicContact CG2-CZ 3.86Å; R400-F427 HydrophobicContact CB-CE1 4.46Å; R400-F427 HydrophobicContact CG-CD1 4.32Å; R400-F427 HydrophobicContact CG-CE1 3.33Å; R400-F427 HydrophobicContact CG-CZ 3.91Å; Y403-F427 HydrophobicContact CD2-CB 4.29Å; Y403-F427 HydrophobicContact CD2-CD1 4.28Å; Y403-F427 HydrophobicContact CD2-CG 4.16Å; Y403-F427 HydrophobicContact CE2-CB 3.7Å; Y403-F427 HydrophobicContact CE2-CD1 4.38Å; Y403-F427 HydrophobicContact CE2-CD2 4.21Å; Y403-F427 AromaticContact CE2-CG 3.81Å; Y403-F427 HydrophobicContact CE2-CG 3.81Å; Y423-F427 WeakPolarHBondContact O-CB 3.45Å; Y423-F427 PolarHBondContact O-N 3.07Å; A425-F427 VanDerWaalsContact C-N 3.26Å; A425-F427 PolarHBondContact O-N 3.43Å; F427-I429 PolarHBondContact O-N 2.83Å; F427-R430 WeakPolarHBondContact O-CB 3.4Å; F427-R430 PolarHBondContact O-N 2.92Å; F427-R430 VanDerWaalsContact O-N 3.12Å; F427-Q431 HydrophobicContact CD1-CG 4.36Å; F427-Q431 HydrophobicContact CE1-CG 3.76Å; F427-Q431 HydrophobicContact CE2-CG 4.1Å; F427-Q431 HydrophobicContact CZ-CG 3.63Å; F427-Q431 WeakPolarHBondContact O-CG 3.35Å; F427-Q431 PolarHBondContact O-N 3.36Å
428	E	90.1	Very high	88.9	Confident	8 Å²	8	47.2 Å²	47.2	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-65.3	-27.8	179.8	-67.7	-66.1	-175.3	0	0	113.1	R400 A424 A425 Q431 K432 K433 A437 L440	R400-E428 WeakPolarHBondContact CD-OE1 3.36Å; R400-E428 WeakPolarHBondContact CG-OE1 3.4Å; R400-E428 IonicContact CZ-OE2 3.23Å; R400-E428 IonicContact NE-OE1 3.41Å; R400-E428 PolarHBondContact NE-OE1 2.92Å; R400-E428 IonicContact NE-OE2 3.9Å; R400-E428 PolarHBondContact NE-OE2 3.38Å; R400-E428 VanDerWaalsContact NE-OE2 3.13Å; R400-E428 IonicContact NH2-OE2 3.56Å; A424-E428 PolarHBondContact O-N 3.26Å; A424-E428 VanDerWaalsContact O-N 3.11Å; A425-E428 PolarHBondContact O-N 3.44Å; A425-E428 VanDerWaalsContact O-N 3.17Å; E428-Q431 CarbonylContact O-C 3.56Å; E428-Q431 PolarHBondContact O-N 3.48Å; E428-K432 PolarHBondContact O-N 3.33Å; E428-K433 HydrophobicContact CB-CB 4.47Å; E428-K433 PolarHBondContact O-N 2.94Å; E428-A437 HydrophobicContact CB-CB 3.94Å; E428-L440 HydrophobicContact CG-CD1 3.79Å
429	I	89.5	Confident	89.2	Confident	45 Å²	45	53 Å²	53	23%	0.231	24%	0.243	C	C	.	.	H	α-helix	trans	-65.9	-46.6	171.7	-68.8	169.3	0	0	0	110.8	A425 K426 F427 Q431 K432 L434 A437 L460	A425-I429 VanDerWaalsContact O-CG1 3.27Å; A425-I429 WeakPolarHBondContact O-CG1 3.43Å; A425-I429 PolarHBondContact O-N 3.12Å; K426-I429 PolarHBondContact O-N 3.38Å; F427-I429 PolarHBondContact O-N 2.83Å; I429-Q431 PolarHBondContact O-N 3.5Å; I429-K432 WeakPolarHBondContact O-CA 3.4Å; I429-K432 PolarHBondContact O-N 3.07Å; I429-L434 HydrophobicContact CG1-CD2 4.17Å; I429-L434 HydrophobicContact CG2-CD2 4.4Å; I429-A437 HydrophobicContact CD1-CB 4.38Å; I429-A437 HydrophobicContact CG1-CB 3.74Å; I429-L460 HydrophobicContact CD1-CB 4.29Å; I429-L460 HydrophobicContact CD1-CD1 3.87Å; I429-L460 HydrophobicContact CD1-CD2 3.63Å; I429-L460 HydrophobicContact CD1-CG 4.13Å
430	R	87.9	Confident	89.4	Confident	115 Å²	115	51.1 Å²	51.1	43%	0.434	24%	0.236	S	C	.	.	H	α-helix	trans	-57.6	-32.3	173.1	-75.9	-178.2	-76.5	178.4	5.3	112	E390 K426 F427 K432	E390-R430 VanDerWaalsContact CD-NH1 3.31Å; E390-R430 IonicContact OE1-CZ 2.91Å; E390-R430 IonicContact OE1-NE 3.48Å; E390-R430 PolarHBondContact OE1-NE 3.32Å; E390-R430 VanDerWaalsContact OE1-NE 3.12Å; E390-R430 IonicContact OE1-NH1 3.71Å; E390-R430 PolarHBondContact OE1-NH1 3.07Å; E390-R430 VanDerWaalsContact OE1-NH1 3.09Å; E390-R430 IonicContact OE1-NH2 2.75Å; E390-R430 PolarHBondContact OE1-NH2 3.29Å; E390-R430 IonicContact OE2-CZ 3.81Å; E390-R430 IonicContact OE2-NH1 3.53Å; E390-R430 PolarHBondContact OE2-NH1 2.91Å; E390-R430 IonicContact OE2-NH2 2.63Å; E390-R430 PolarHBondContact OE2-NH2 3.29Å; K426-R430 WeakPolarHBondContact O-CG 3.49Å; K426-R430 PolarHBondContact O-N 3.15Å; F427-R430 WeakPolarHBondContact O-CB 3.4Å; F427-R430 PolarHBondContact O-N 2.92Å; F427-R430 VanDerWaalsContact O-N 3.12Å; R430-K432 PolarHBondContact O-N 3.28Å
431	Q	87.6	Confident	89.4	Confident	45 Å²	45	51.3 Å²	51.3	21%	0.21	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	6.8	175	-59.3	-52.9	-49	0	0	114.9	R400 F427 E428 I429 K433	R400-Q431 VanDerWaalsContact NH2-CB 3.33Å; F427-Q431 HydrophobicContact CD1-CG 4.36Å; F427-Q431 HydrophobicContact CE1-CG 3.76Å; F427-Q431 HydrophobicContact CE2-CG 4.1Å; F427-Q431 HydrophobicContact CZ-CG 3.63Å; F427-Q431 WeakPolarHBondContact O-CG 3.35Å; F427-Q431 PolarHBondContact O-N 3.36Å; E428-Q431 CarbonylContact O-C 3.56Å; E428-Q431 PolarHBondContact O-N 3.48Å; I429-Q431 PolarHBondContact O-N 3.5Å; Q431-K433 PolarHBondContact O-N 3.29Å; Q431-K433 VanDerWaalsContact O-N 3.12Å
432	K	86.5	Confident	89.3	Confident	190 Å²	190	52.7 Å²	52.7	83%	0.826	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	15.3	-176.8	-54.1	-178.5	179.4	-178.3	0	114.3	E428 I429 R430 L434	E428-K432 PolarHBondContact O-N 3.33Å; I429-K432 WeakPolarHBondContact O-CA 3.4Å; I429-K432 PolarHBondContact O-N 3.07Å; R430-K432 PolarHBondContact O-N 3.28Å; K432-L434 PolarHBondContact O-N 3.45Å
433	K	89.5	Confident	89.2	Confident	78 Å²	78	54.4 Å²	54.4	34%	0.339	27%	0.265	S	S	.	.			trans	-93.5	64.5	178.4	-66.8	-171	-176.1	178.8	0	111.4	E428 Q431 T435 D436 A437	E428-K433 HydrophobicContact CB-CB 4.47Å; E428-K433 PolarHBondContact O-N 2.94Å; Q431-K433 PolarHBondContact O-N 3.29Å; Q431-K433 VanDerWaalsContact O-N 3.12Å; K433-T435 VanDerWaalsContact C-N 3.28Å; K433-T435 PolarHBondContact O-N 2.97Å; K433-D436 HydrophobicContact CB-CB 4.26Å; K433-D436 PolarHBondContact O-N 3.45Å; K433-D436 VanDerWaalsContact O-N 3.08Å; K433-A437 PolarHBondContact O-N 3.41Å; K433-A437 VanDerWaalsContact O-N 3.07Å
434	L	88	Confident	89.1	Confident	61 Å²	61	52.1 Å²	52.1	32%	0.319	26%	0.256	S	S	.	.	H	α-helix	trans	-58.1	-37.7	-176.6	-62.2	178.2	0	0	0	113.2	I429 K432 D436 A437 R438 L464	I429-L434 HydrophobicContact CG1-CD2 4.17Å; I429-L434 HydrophobicContact CG2-CD2 4.4Å; K432-L434 PolarHBondContact O-N 3.45Å; L434-D436 VanDerWaalsContact C-N 3.26Å; L434-D436 PolarHBondContact O-N 3.2Å; L434-A437 PolarHBondContact O-N 3.36Å; L434-R438 WeakPolarHBondContact O-CB 3.41Å; L434-R438 WeakPolarHBondContact O-CD 3.33Å; L434-R438 VanDerWaalsContact O-CG 3.31Å; L434-R438 WeakPolarHBondContact O-CG 3.25Å; L434-R438 PolarHBondContact O-N 3.33Å; L434-L464 HydrophobicContact CD1-CD2 4.17Å; L434-L464 HydrophobicContact CD2-CD1 3.9Å; L434-L464 HydrophobicContact CD2-CD2 3.7Å; L434-L464 HydrophobicContact CD2-CG 4.48Å
435	T	90.4	Very high	89	Confident	90 Å²	90	53.1 Å²	53.1	55%	0.552	26%	0.261	S	S	*	.	H	α-helix	trans	-61.8	-36.9	178.6	53.4	0	0	0	0	112.3	K433 K439	K433-T435 VanDerWaalsContact C-N 3.28Å; K433-T435 PolarHBondContact O-N 2.97Å; T435-K439 VanDerWaalsContact O-CG 3.24Å; T435-K439 WeakPolarHBondContact O-CG 3.31Å; T435-K439 PolarHBondContact O-N 3.29Å
436	D	89.6	Confident	88.7	Confident	47 Å²	47	56.4 Å²	56.4	25%	0.251	30%	0.296	S	S	.	.	H	α-helix	trans	-80.2	-38.6	-177.5	-66	-16	0	0	0	110.5	K433 L434 R438 K439 L440	K433-D436 HydrophobicContact CB-CB 4.26Å; K433-D436 PolarHBondContact O-N 3.45Å; K433-D436 VanDerWaalsContact O-N 3.08Å; L434-D436 VanDerWaalsContact C-N 3.26Å; L434-D436 PolarHBondContact O-N 3.2Å; D436-R438 VanDerWaalsContact C-N 3.34Å; D436-R438 PolarHBondContact O-N 3.34Å; D436-K439 PolarHBondContact O-N 3.34Å; D436-K439 IonicContact OD1-NZ 3.13Å; D436-L440 WeakPolarHBondContact O-CB 3.15Å; D436-L440 WeakPolarHBondContact O-CG 3.43Å; D436-L440 PolarHBondContact O-N 3.09Å
437	A	89.8	Confident	88.3	Confident	3 Å²	3	56.6 Å²	56.6	3%	0.025	30%	0.299	C	S	.	.	H	α-helix	trans	-56.5	-46.8	169.9	0	0	0	0	0	111.9	E428 I429 K433 L434 L440 L441	E428-A437 HydrophobicContact CB-CB 3.94Å; I429-A437 HydrophobicContact CD1-CB 4.38Å; I429-A437 HydrophobicContact CG1-CB 3.74Å; K433-A437 PolarHBondContact O-N 3.41Å; K433-A437 VanDerWaalsContact O-N 3.07Å; L434-A437 PolarHBondContact O-N 3.36Å; A437-L440 WeakPolarHBondContact O-CB 3.36Å; A437-L440 PolarHBondContact O-N 3.4Å; A437-L441 PolarHBondContact O-N 3.11Å
438	R	90	Very high	87.6	Confident	34 Å²	34	56.6 Å²	56.6	13%	0.128	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-40.8	177	-77.1	159.5	160	176.5	4.3	112.5	L434 D436 G442 Y457 E461 E466 R469	L434-R438 WeakPolarHBondContact O-CB 3.41Å; L434-R438 WeakPolarHBondContact O-CD 3.33Å; L434-R438 VanDerWaalsContact O-CG 3.31Å; L434-R438 WeakPolarHBondContact O-CG 3.25Å; L434-R438 PolarHBondContact O-N 3.33Å; D436-R438 VanDerWaalsContact C-N 3.34Å; D436-R438 PolarHBondContact O-N 3.34Å; R438-G442 PolarHBondContact O-N 3.45Å; R438-Y457 HydrophobicContact CG-CE2 4.36Å; R438-Y457 PolarHBondContact O-OH 3.2Å; R438-E461 WeakPolarHBondContact CG-OE1 3.35Å; R438-E461 IonicContact CZ-OE1 3.31Å; R438-E461 IonicContact CZ-OE2 2.77Å; R438-E461 IonicContact NE-OE1 3.8Å; R438-E461 PolarHBondContact NE-OE1 3.33Å; R438-E461 IonicContact NE-OE2 2.74Å; R438-E461 PolarHBondContact NE-OE2 2.85Å; R438-E461 IonicContact NH2-OE1 3.73Å; R438-E461 IonicContact NH2-OE2 2.83Å; R438-E461 PolarHBondContact NH2-OE2 3.08Å; R438-E466 IonicContact CZ-OE1 2.73Å; R438-E466 IonicContact NH1-OE1 3.76Å; R438-E466 PolarHBondContact NH1-OE1 2.89Å; R438-E466 VanDerWaalsContact NH2-CD 3.3Å; R438-E466 VanDerWaalsContact NH2-CG 3.32Å; R438-E466 IonicContact NH2-OE1 3.47Å; R438-E466 PolarHBondContact NH2-OE1 3.27Å; R438-R469 VanDerWaalsContact CZ-CZ 3.45Å; R438-R469 VanDerWaalsContact NE-NH1 3.15Å
439	K	90.5	Very high	87.2	Confident	135 Å²	135	58.9 Å²	58.9	59%	0.587	32%	0.315	S	S	*	.	H	α-helix	trans	-63.9	-43.4	173.1	-74.6	169.4	-172.6	169.5	0	111.3	T435 D436 G442 T443	T435-K439 VanDerWaalsContact O-CG 3.24Å; T435-K439 WeakPolarHBondContact O-CG 3.31Å; T435-K439 PolarHBondContact O-N 3.29Å; D436-K439 PolarHBondContact O-N 3.34Å; D436-K439 IonicContact OD1-NZ 3.13Å; K439-G442 PolarHBondContact O-N 3.32Å; K439-T443 WeakPolarHBondContact O-CB 3.34Å; K439-T443 VanDerWaalsContact O-CG2 3.26Å; K439-T443 WeakPolarHBondContact O-CG2 3.31Å; K439-T443 PolarHBondContact O-N 3.32Å; K439-T443 PolarHBondContact O-OG1 3.36Å; K439-T443 VanDerWaalsContact O-OG1 3.04Å
440	L	89.6	Confident	86.9	Confident	38 Å²	38	60 Å²	60	20%	0.199	32%	0.318	C	S	.	.	H	α-helix	trans	-60.3	-49	177	-76.7	168.7	0	0	0	111.2	L407 W421 E428 D436 A437 T443 A444	L407-L440 HydrophobicContact CD1-CD2 4.07Å; W421-L440 HydrophobicContact CZ3-CD2 4.18Å; E428-L440 HydrophobicContact CG-CD1 3.79Å; D436-L440 WeakPolarHBondContact O-CB 3.15Å; D436-L440 WeakPolarHBondContact O-CG 3.43Å; D436-L440 PolarHBondContact O-N 3.09Å; A437-L440 WeakPolarHBondContact O-CB 3.36Å; A437-L440 PolarHBondContact O-N 3.4Å; L440-T443 WeakPolarHBondContact CA-OG1 3.32Å; L440-T443 PolarHBondContact O-N 3.18Å; L440-T443 PolarHBondContact O-OG1 2.92Å; L440-A444 WeakPolarHBondContact O-CB 3.26Å; L440-A444 PolarHBondContact O-N 3.33Å
441	L	88.5	Confident	86.8	Confident	5 Å²	5	57 Å²	57	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-67.8	-37	177.9	-67.3	173.1	0	0	0	112.6	L422 A425 A437 A444 L445 Y457 L460	L422-L441 HydrophobicContact CD2-CD2 4.15Å; A425-L441 HydrophobicContact CB-CD1 3.69Å; A425-L441 HydrophobicContact CB-CD2 3.64Å; A425-L441 HydrophobicContact CB-CG 3.54Å; A437-L441 PolarHBondContact O-N 3.11Å; L441-A444 WeakPolarHBondContact O-CB 3.45Å; L441-A444 PolarHBondContact O-N 3.29Å; L441-L445 WeakPolarHBondContact O-CG 3.49Å; L441-L445 PolarHBondContact O-N 2.84Å; L441-Y457 HydrophobicContact CB-CD1 3.75Å; L441-Y457 HydrophobicContact CB-CD2 3.94Å; L441-Y457 HydrophobicContact CB-CE1 3.79Å; L441-Y457 HydrophobicContact CB-CE2 3.99Å; L441-Y457 HydrophobicContact CB-CG 3.83Å; L441-Y457 HydrophobicContact CD1-CD1 4.47Å; L441-Y457 HydrophobicContact CD1-CD2 3.25Å; L441-Y457 HydrophobicContact CD1-CE2 3.7Å; L441-Y457 HydrophobicContact CD1-CG 3.71Å; L441-Y457 HydrophobicContact CG-CD2 4.2Å; L441-Y457 HydrophobicContact CG-CG 4.31Å; L441-L460 HydrophobicContact CD1-CD1 3.71Å
442	G	88.9	Confident	86.7	Confident	37 Å²	37	62.4 Å²	62.4	38%	0.381	33%	0.334	S	S	.	.	H	α-helix	trans	-62.6	-43.2	173.3	0	0	0	0	0	112.8	R438 K439 A444 L445 G446	R438-G442 PolarHBondContact O-N 3.45Å; K439-G442 PolarHBondContact O-N 3.32Å; G442-A444 VanDerWaalsContact C-N 3.35Å; G442-L445 PolarHBondContact O-N 2.8Å; G442-G446 PolarHBondContact O-N 2.76Å
443	T	87.7	Confident	86.7	Confident	66 Å²	66	53.5 Å²	53.5	41%	0.405	30%	0.295	S	S	.	.	H	α-helix	trans	-67.1	-36.1	174	58.1	0	0	0	0	111.9	K439 L440 G446 M447	K439-T443 WeakPolarHBondContact O-CB 3.34Å; K439-T443 VanDerWaalsContact O-CG2 3.26Å; K439-T443 WeakPolarHBondContact O-CG2 3.31Å; K439-T443 PolarHBondContact O-N 3.32Å; K439-T443 PolarHBondContact O-OG1 3.36Å; K439-T443 VanDerWaalsContact O-OG1 3.04Å; L440-T443 WeakPolarHBondContact CA-OG1 3.32Å; L440-T443 PolarHBondContact O-N 3.18Å; L440-T443 PolarHBondContact O-OG1 2.92Å; T443-G446 PolarHBondContact O-N 2.88Å; T443-M447 WeakPolarHBondContact O-CB 3.48Å; T443-M447 WeakPolarHBondContact O-CE 3.24Å; T443-M447 WeakPolarHBondContact O-CG 3.48Å; T443-M447 PolarHBondContact O-N 2.95Å
444	A	87.5	Confident	86.7	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-61.4	-48.2	173	0	0	0	0	0	111.5	W421 L440 L441 G442 G446 M447 C448 L453	W421-A444 HydrophobicContact CB-CB 3.96Å; W421-A444 HydrophobicContact CD2-CB 3.4Å; W421-A444 VanDerWaalsContact CD2-CB 3.4Å; W421-A444 HydrophobicContact CE3-CB 3.56Å; W421-A444 HydrophobicContact CG-CB 3.61Å; W421-A444 HydrophobicContact CZ2-CB 4.47Å; W421-A444 HydrophobicContact CZ3-CB 4.16Å; L440-A444 WeakPolarHBondContact O-CB 3.26Å; L440-A444 PolarHBondContact O-N 3.33Å; L441-A444 WeakPolarHBondContact O-CB 3.45Å; L441-A444 PolarHBondContact O-N 3.29Å; G442-A444 VanDerWaalsContact C-N 3.35Å; A444-G446 VanDerWaalsContact C-N 3.32Å; A444-G446 PolarHBondContact O-N 3.24Å; A444-M447 PolarHBondContact O-N 2.87Å; A444-C448 CarbonylContact O-C 3.53Å; A444-C448 WeakPolarHBondContact O-CA 3.27Å; A444-C448 PolarHBondContact O-N 3.49Å; A444-C448 PolarHBondContact O-SG 3.04Å; A444-L453 HydrophobicContact CB-CD1 4.42Å; A444-L453 HydrophobicContact CB-CD2 4.49Å
445	L	86.3	Confident	86.8	Confident	23 Å²	23	53.2 Å²	53.2	12%	0.12	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-38.8	177.8	-72.7	-179.2	0	0	0	112.1	L441 G442 L453 F454 Y457 L473	L441-L445 WeakPolarHBondContact O-CG 3.49Å; L441-L445 PolarHBondContact O-N 2.84Å; G442-L445 PolarHBondContact O-N 2.8Å; L445-L453 HydrophobicContact CD2-CB 3.92Å; L445-F454 HydrophobicContact CD1-CD1 3.97Å; L445-F454 HydrophobicContact CD1-CE1 3.74Å; L445-F454 HydrophobicContact CD1-CZ 4.4Å; L445-F454 HydrophobicContact CD2-CD1 3.81Å; L445-F454 HydrophobicContact CD2-CD2 3.92Å; L445-F454 HydrophobicContact CD2-CE1 3.77Å; L445-F454 HydrophobicContact CD2-CE2 3.87Å; L445-F454 HydrophobicContact CD2-CG 3.89Å; L445-F454 HydrophobicContact CD2-CZ 3.79Å; L445-F454 HydrophobicContact CG-CE1 4.35Å; L445-Y457 HydrophobicContact CD1-CD1 3.71Å; L445-Y457 HydrophobicContact CD1-CE1 4.17Å; L445-Y457 HydrophobicContact CG-CD1 4.5Å; L445-L473 HydrophobicContact CD1-CD2 4.04Å
446	G	83.4	Confident	86.7	Confident	70 Å²	70	49.3 Å²	49.3	72%	0.722	27%	0.265	S	S	*	.	H	α-helix	trans	-69	-34.5	177.5	0	0	0	0	0	114.1	G442 T443 A444	G442-G446 PolarHBondContact O-N 2.76Å; T443-G446 PolarHBondContact O-N 2.88Å; A444-G446 VanDerWaalsContact C-N 3.32Å; A444-G446 PolarHBondContact O-N 3.24Å
447	M	83.2	Confident	86.7	Confident	96 Å²	96	48 Å²	48	47%	0.473	26%	0.257	S	S	.	.	H	α-helix	trans	-85.5	-34.3	177.5	-74.3	-172.9	-94.3	0	0	113	W421 T443 A444	W421-M447 HydrophobicContact CH2-CE 3.47Å; W421-M447 VanDerWaalsContact CH2-CE 3.47Å; W421-M447 HydrophobicContact CZ2-CE 3.82Å; T443-M447 WeakPolarHBondContact O-CB 3.48Å; T443-M447 WeakPolarHBondContact O-CE 3.24Å; T443-M447 WeakPolarHBondContact O-CG 3.48Å; T443-M447 PolarHBondContact O-N 2.95Å; A444-M447 PolarHBondContact O-N 2.87Å
448	C	75.9	Confident	86.8	Confident	2 Å²	2	48 Å²	48	1%	0.014	26%	0.257	C	S	.	.			trans	-148.8	82.6	-171.1	56	0	0	0	0	112.8	T416 A444 K450 L453	T416-C448 VanDerWaalsContact CB-CB 3.44Å; T416-C448 HydrophobicContact CG2-CB 3.13Å; A444-C448 CarbonylContact O-C 3.53Å; A444-C448 WeakPolarHBondContact O-CA 3.27Å; A444-C448 PolarHBondContact O-N 3.49Å; A444-C448 PolarHBondContact O-SG 3.04Å; C448-K450 PolarHBondContact O-N 2.86Å; C448-L453 WeakPolarHBondContact O-CD1 3.39Å
449	P	81.2	Confident	86.8	Confident	55 Å²	55	51.6 Å²	51.6	36%	0.357	28%	0.275	S	S	.	.			trans	-71.7	123.9	175.2	30	-34.2	0	0	0	110.3	F454 F480	P449-F454 HydrophobicContact CB-CE2 4.16Å; P449-F480 HydrophobicContact CB-CD2 3.66Å; P449-F480 HydrophobicContact CB-CE1 4.44Å; P449-F480 HydrophobicContact CB-CE2 3.5Å; P449-F480 VanDerWaalsContact CB-CE2 3.5Å; P449-F480 HydrophobicContact CB-CG 4.21Å; P449-F480 HydrophobicContact CB-CZ 3.91Å; P449-F480 HydrophobicContact CG-CD2 3.99Å; P449-F480 HydrophobicContact CG-CE2 3.53Å; P449-F480 HydrophobicContact CG-CZ 4.17Å; P449-F480 WeakPolarHBondContact O-CZ 3.48Å
450	K	82.4	Confident	86.6	Confident	68 Å²	68	45.6 Å²	45.6	30%	0.296	25%	0.249	S	C	.	.			trans	-149.2	145.9	174.8	-85.9	-169.9	168.6	161.6	0	110.1	T416 C448 K452 L453 F454	T416-K450 PolarHBondContact O-NZ 2.97Å; T416-K450 VanDerWaalsContact OG1-CD 3.32Å; T416-K450 WeakPolarHBondContact OG1-CD 3.26Å; T416-K450 WeakPolarHBondContact OG1-CE 3.46Å; T416-K450 PolarHBondContact OG1-NZ 3.35Å; C448-K450 PolarHBondContact O-N 2.86Å; K450-K452 PolarHBondContact O-N 2.74Å; K450-K452 VanDerWaalsContact O-N 3.16Å; K450-L453 HydrophobicContact CB-CD1 4.47Å; K450-L453 WeakPolarHBondContact O-CB 3.29Å; K450-L453 PolarHBondContact O-N 3.15Å; K450-F454 WeakPolarHBondContact O-CD2 3.44Å; K450-F454 PolarHBondContact O-N 3.25Å; K450-F454 VanDerWaalsContact O-N 3.11Å
451	D	85.5	Confident	86.6	Confident	54 Å²	54	43.9 Å²	43.9	29%	0.289	24%	0.24	S	C	.	.	H	α-helix	trans	-53.3	-41.2	179.3	-62.7	24.5	0	0	0	112.7	L453 F454 R455 F477 N484	D451-L453 VanDerWaalsContact C-N 3.3Å; D451-L453 PolarHBondContact O-N 3.06Å; D451-F454 PolarHBondContact O-N 2.67Å; D451-R455 WeakPolarHBondContact O-CB 3.36Å; D451-R455 VanDerWaalsContact O-CG 3.29Å; D451-R455 WeakPolarHBondContact O-CG 3.45Å; D451-R455 PolarHBondContact O-N 3.46Å; D451-F477 HydrophobicContact CB-CE2 4.13Å; D451-F477 HydrophobicContact CB-CZ 3.89Å; D451-N484 PolarHBondContact OD2-ND2 3.4Å
452	K	86.3	Confident	86.7	Confident	158 Å²	158	46.6 Å²	46.6	69%	0.687	25%	0.254	S	S	*	.	H	α-helix	trans	-64	-32.9	178	-65.9	-167.4	178.7	-168.1	0	113.3	A418 K450 G456	A418-K452 HydrophobicContact CB-CB 4.14Å; K450-K452 PolarHBondContact O-N 2.74Å; K450-K452 VanDerWaalsContact O-N 3.16Å; K452-G456 PolarHBondContact O-N 3.11Å
453	L	87.5	Confident	86.7	Confident	2 Å²	2	51 Å²	51	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-74.9	-41	176.6	-76.4	169.2	0	0	0	111.1	A418 W421 L422 A444 L445 C448 K450 D451 Y457	A418-L453 HydrophobicContact CB-CD1 4.3Å; A418-L453 HydrophobicContact CB-CD2 3.91Å; A418-L453 HydrophobicContact CB-CG 3.67Å; W421-L453 HydrophobicContact CB-CD2 3.76Å; W421-L453 HydrophobicContact CG-CD2 4.46Å; L422-L453 HydrophobicContact CD2-CD2 4.32Å; L422-L453 HydrophobicContact CG-CD2 4.17Å; A444-L453 HydrophobicContact CB-CD1 4.42Å; A444-L453 HydrophobicContact CB-CD2 4.49Å; L445-L453 HydrophobicContact CD2-CB 3.92Å; C448-L453 WeakPolarHBondContact O-CD1 3.39Å; K450-L453 HydrophobicContact CB-CD1 4.47Å; K450-L453 WeakPolarHBondContact O-CB 3.29Å; K450-L453 PolarHBondContact O-N 3.15Å; D451-L453 VanDerWaalsContact C-N 3.3Å; D451-L453 PolarHBondContact O-N 3.06Å; L453-Y457 VanDerWaalsContact O-CB 3.26Å; L453-Y457 WeakPolarHBondContact O-CB 3.1Å; L453-Y457 PolarHBondContact O-N 3.36Å
454	F	89.6	Confident	86.6	Confident	9 Å²	9	50.6 Å²	50.6	4%	0.039	26%	0.26	C	S	.	.	H	α-helix	trans	-60.8	-52.8	173.4	-78.2	-73.5	0	0	0	111.2	L445 P449 K450 D451 G456 Y457 I458 K476 F477 F480	L445-F454 HydrophobicContact CD1-CD1 3.97Å; L445-F454 HydrophobicContact CD1-CE1 3.74Å; L445-F454 HydrophobicContact CD1-CZ 4.4Å; L445-F454 HydrophobicContact CD2-CD1 3.81Å; L445-F454 HydrophobicContact CD2-CD2 3.92Å; L445-F454 HydrophobicContact CD2-CE1 3.77Å; L445-F454 HydrophobicContact CD2-CE2 3.87Å; L445-F454 HydrophobicContact CD2-CG 3.89Å; L445-F454 HydrophobicContact CD2-CZ 3.79Å; L445-F454 HydrophobicContact CG-CE1 4.35Å; P449-F454 HydrophobicContact CB-CE2 4.16Å; K450-F454 WeakPolarHBondContact O-CD2 3.44Å; K450-F454 PolarHBondContact O-N 3.25Å; K450-F454 VanDerWaalsContact O-N 3.11Å; D451-F454 PolarHBondContact O-N 2.67Å; F454-G456 PolarHBondContact O-N 2.88Å; F454-Y457 PolarHBondContact O-N 3.42Å; F454-I458 WeakPolarHBondContact O-CB 3.29Å; F454-I458 WeakPolarHBondContact O-CD1 3.41Å; F454-I458 WeakPolarHBondContact O-CG1 3.39Å; F454-I458 PolarHBondContact O-N 3.33Å; F454-K476 HydrophobicContact CE1-CB 4.21Å; F454-F477 HydrophobicContact CB-CB 4.33Å; F454-F477 HydrophobicContact CB-CD1 3.61Å; F454-F477 HydrophobicContact CB-CD2 3.81Å; F454-F477 HydrophobicContact CB-CE1 3.7Å; F454-F477 HydrophobicContact CB-CE2 3.92Å; F454-F477 HydrophobicContact CB-CG 3.66Å; F454-F477 HydrophobicContact CB-CZ 3.87Å; F454-F477 HydrophobicContact CD1-CB 3.75Å; F454-F477 HydrophobicContact CD1-CD2 4.23Å; F454-F477 AromaticContact CD1-CG 3.97Å; F454-F477 HydrophobicContact CD1-CG 3.97Å; F454-F477 AromaticContact CD2-CD2 3.53Å; F454-F477 HydrophobicContact CD2-CD2 3.53Å; F454-F477 AromaticContact CD2-CE2 3.85Å; F454-F477 HydrophobicContact CD2-CE2 3.85Å; F454-F477 HydrophobicContact CD2-CG 4.09Å; F454-F477 HydrophobicContact CE1-CB 4.12Å; F454-F477 HydrophobicContact CE2-CD2 4.1Å; F454-F477 HydrophobicContact CG-CB 4Å; F454-F477 HydrophobicContact CG-CD1 4.15Å; F454-F477 AromaticContact CG-CD2 3.61Å; F454-F477 HydrophobicContact CG-CD2 3.61Å; F454-F477 HydrophobicContact CG-CE2 4.08Å; F454-F477 AromaticContact CG-CG 3.67Å; F454-F477 HydrophobicContact CG-CG 3.67Å; F454-F480 HydrophobicContact CD2-CD1 4.34Å; F454-F480 HydrophobicContact CE2-CB 4.04Å; F454-F480 AromaticContact CE2-CD1 3.79Å; F454-F480 HydrophobicContact CE2-CD1 3.79Å; F454-F480 AromaticContact CE2-CG 3.94Å; F454-F480 HydrophobicContact CE2-CG 3.94Å; F454-F480 HydrophobicContact CZ-CB 4.16Å; F454-F480 HydrophobicContact CZ-CG 4.49Å
455	R	89.6	Confident	86.6	Confident	124 Å²	124	60.2 Å²	60.2	47%	0.468	30%	0.296	S	S	.	.	H	α-helix	trans	-55.4	-50.1	177.3	-70.3	178.8	-167.9	-145.7	-1.3	111.7	D451 Y457 I458 E459 F477 T486	D451-R455 WeakPolarHBondContact O-CB 3.36Å; D451-R455 VanDerWaalsContact O-CG 3.29Å; D451-R455 WeakPolarHBondContact O-CG 3.45Å; D451-R455 PolarHBondContact O-N 3.46Å; R455-Y457 VanDerWaalsContact C-N 3.34Å; R455-Y457 PolarHBondContact O-N 3.03Å; R455-I458 PolarHBondContact O-N 2.82Å; R455-E459 VanDerWaalsContact O-CB 3.29Å; R455-E459 WeakPolarHBondContact O-CB 3.45Å; R455-E459 PolarHBondContact O-N 3.03Å; R455-F477 HydrophobicContact CG-CE1 4.2Å; R455-T486 PolarHBondContact NH2-OG1 3.24Å
456	G	87	Confident	86.8	Confident	8 Å²	8	62.8 Å²	62.8	8%	0.082	31%	0.307	C	S	.	.	H	α-helix	trans	-66.1	-32.8	179.8	0	0	0	0	0	113.5	K452 F454 L460	K452-G456 PolarHBondContact O-N 3.11Å; F454-G456 PolarHBondContact O-N 2.88Å; G456-L460 WeakPolarHBondContact O-CD1 3.49Å; G456-L460 WeakPolarHBondContact O-CG 3.41Å; G456-L460 PolarHBondContact O-N 2.9Å
457	Y	90.7	Very high	87	Confident	20 Å²	20	62.6 Å²	62.6	8%	0.078	29%	0.286	C	S	.	.	H	α-helix	trans	-74.2	-41.2	175.5	-170	-171.9	0	0	0	111.8	R438 L441 L445 L453 F454 R455 L460 E461 L473	R438-Y457 HydrophobicContact CG-CE2 4.36Å; R438-Y457 PolarHBondContact O-OH 3.2Å; L441-Y457 HydrophobicContact CB-CD1 3.75Å; L441-Y457 HydrophobicContact CB-CD2 3.94Å; L441-Y457 HydrophobicContact CB-CE1 3.79Å; L441-Y457 HydrophobicContact CB-CE2 3.99Å; L441-Y457 HydrophobicContact CB-CG 3.83Å; L441-Y457 HydrophobicContact CD1-CD1 4.47Å; L441-Y457 HydrophobicContact CD1-CD2 3.25Å; L441-Y457 HydrophobicContact CD1-CE2 3.7Å; L441-Y457 HydrophobicContact CD1-CG 3.71Å; L441-Y457 HydrophobicContact CG-CD2 4.2Å; L441-Y457 HydrophobicContact CG-CG 4.31Å; L445-Y457 HydrophobicContact CD1-CD1 3.71Å; L445-Y457 HydrophobicContact CD1-CE1 4.17Å; L445-Y457 HydrophobicContact CG-CD1 4.5Å; L453-Y457 VanDerWaalsContact O-CB 3.26Å; L453-Y457 WeakPolarHBondContact O-CB 3.1Å; L453-Y457 PolarHBondContact O-N 3.36Å; F454-Y457 PolarHBondContact O-N 3.42Å; R455-Y457 VanDerWaalsContact C-N 3.34Å; R455-Y457 PolarHBondContact O-N 3.03Å; Y457-L460 PolarHBondContact O-N 3.37Å; Y457-E461 HydrophobicContact CD2-CG 3.83Å; Y457-E461 HydrophobicContact CE2-CG 3.63Å; Y457-E461 VanDerWaalsContact CE2-OE1 3.29Å; Y457-E461 WeakPolarHBondContact CE2-OE1 3.27Å; Y457-E461 PolarHBondContact O-N 3.45Å; Y457-L473 HydrophobicContact CD1-CD1 3.75Å; Y457-L473 HydrophobicContact CD1-CD2 3.47Å; Y457-L473 VanDerWaalsContact CD1-CD2 3.47Å; Y457-L473 HydrophobicContact CD1-CG 4.28Å; Y457-L473 HydrophobicContact CD2-CD1 3.98Å; Y457-L473 HydrophobicContact CE1-CD1 3.95Å; Y457-L473 HydrophobicContact CE1-CD2 3.47Å; Y457-L473 VanDerWaalsContact CE1-CD2 3.47Å; Y457-L473 HydrophobicContact CE1-CG 4.33Å; Y457-L473 HydrophobicContact CE2-CD1 4.16Å; Y457-L473 HydrophobicContact CG-CD1 3.77Å; Y457-L473 HydrophobicContact CG-CD2 4.31Å
458	I	90.7	Very high	87.3	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-62.1	-47.2	176.1	-69.9	164.6	0	0	0	110.1	F454 R455 L460 E461 I462 L473 Y474 F477	F454-I458 WeakPolarHBondContact O-CB 3.29Å; F454-I458 WeakPolarHBondContact O-CD1 3.41Å; F454-I458 WeakPolarHBondContact O-CG1 3.39Å; F454-I458 PolarHBondContact O-N 3.33Å; R455-I458 PolarHBondContact O-N 2.82Å; I458-L460 VanDerWaalsContact C-N 3.28Å; I458-L460 PolarHBondContact O-N 3.01Å; I458-E461 PolarHBondContact O-N 2.88Å; I458-E461 VanDerWaalsContact O-N 3.11Å; I458-I462 HydrophobicContact CG2-CD1 3.66Å; I458-I462 HydrophobicContact CG2-CG1 4.2Å; I458-I462 WeakPolarHBondContact O-CB 3.13Å; I458-I462 VanDerWaalsContact O-CG1 3.27Å; I458-I462 WeakPolarHBondContact O-CG1 3.29Å; I458-I462 PolarHBondContact O-N 3.18Å; I458-L473 HydrophobicContact CD1-CB 4.34Å; I458-L473 HydrophobicContact CG1-CB 3.74Å; I458-L473 HydrophobicContact CG1-CD1 4.19Å; I458-Y474 HydrophobicContact CD1-CD1 3.81Å; I458-Y474 HydrophobicContact CD1-CD2 4.31Å; I458-Y474 HydrophobicContact CD1-CE1 3.75Å; I458-Y474 HydrophobicContact CD1-CE2 4.26Å; I458-Y474 HydrophobicContact CD1-CG 4.1Å; I458-Y474 HydrophobicContact CG2-CD2 4.33Å; I458-Y474 HydrophobicContact CG2-CE1 4.44Å; I458-Y474 HydrophobicContact CG2-CE2 3.53Å; I458-F477 HydrophobicContact CD1-CD1 3.95Å
459	E	90.5	Very high	87.9	Confident	108 Å²	108	67.2 Å²	67.2	51%	0.505	31%	0.306	S	S	.	.	H	α-helix	trans	-56.5	-42.7	176.3	-173.2	-178.2	178.5	0	0	111.7	R455 I462 Q463	R455-E459 VanDerWaalsContact O-CB 3.29Å; R455-E459 WeakPolarHBondContact O-CB 3.45Å; R455-E459 PolarHBondContact O-N 3.03Å; E459-I462 PolarHBondContact O-N 3.41Å; E459-Q463 VanDerWaalsContact O-CG 3.31Å; E459-Q463 WeakPolarHBondContact O-CG 3.33Å; E459-Q463 PolarHBondContact O-N 3.15Å
460	L	87	Confident	88.4	Confident	10 Å²	10	64.6 Å²	64.6	5%	0.052	29%	0.289	C	S	.	.	H	α-helix	trans	-65.3	-40.3	175.5	-71	171.6	0	0	0	112.7	A425 K426 I429 L441 G456 Y457 I458 Q463 L464	A425-L460 HydrophobicContact CB-CD1 4.41Å; K426-L460 HydrophobicContact CG-CD2 4.23Å; I429-L460 HydrophobicContact CD1-CB 4.29Å; I429-L460 HydrophobicContact CD1-CD1 3.87Å; I429-L460 HydrophobicContact CD1-CD2 3.63Å; I429-L460 HydrophobicContact CD1-CG 4.13Å; L441-L460 HydrophobicContact CD1-CD1 3.71Å; G456-L460 WeakPolarHBondContact O-CD1 3.49Å; G456-L460 WeakPolarHBondContact O-CG 3.41Å; G456-L460 PolarHBondContact O-N 2.9Å; Y457-L460 PolarHBondContact O-N 3.37Å; I458-L460 VanDerWaalsContact C-N 3.28Å; I458-L460 PolarHBondContact O-N 3.01Å; L460-Q463 PolarHBondContact O-N 3.14Å; L460-L464 VanDerWaalsContact O-CG 3.25Å; L460-L464 WeakPolarHBondContact O-CG 3.48Å; L460-L464 PolarHBondContact O-N 2.95Å; L460-L464 VanDerWaalsContact O-N 3.11Å
461	E	89.8	Confident	88.8	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-73.6	-30.1	177.6	-68.1	-74.5	-172.6	0	0	112.4	R438 Y457 I458 L464 R465 E466 R469 C470 L473	R438-E461 WeakPolarHBondContact CG-OE1 3.35Å; R438-E461 IonicContact CZ-OE1 3.31Å; R438-E461 IonicContact CZ-OE2 2.77Å; R438-E461 IonicContact NE-OE1 3.8Å; R438-E461 PolarHBondContact NE-OE1 3.33Å; R438-E461 IonicContact NE-OE2 2.74Å; R438-E461 PolarHBondContact NE-OE2 2.85Å; R438-E461 IonicContact NH2-OE1 3.73Å; R438-E461 IonicContact NH2-OE2 2.83Å; R438-E461 PolarHBondContact NH2-OE2 3.08Å; Y457-E461 HydrophobicContact CD2-CG 3.83Å; Y457-E461 HydrophobicContact CE2-CG 3.63Å; Y457-E461 VanDerWaalsContact CE2-OE1 3.29Å; Y457-E461 WeakPolarHBondContact CE2-OE1 3.27Å; Y457-E461 PolarHBondContact O-N 3.45Å; I458-E461 PolarHBondContact O-N 2.88Å; I458-E461 VanDerWaalsContact O-N 3.11Å; E461-L464 CarbonylContact O-C 3.58Å; E461-L464 PolarHBondContact O-N 2.98Å; E461-R465 PolarHBondContact O-N 3.47Å; E461-E466 PolarHBondContact O-N 2.84Å; E461-R469 HydrophobicContact CG-CB 4.46Å; E461-R469 IonicContact OE1-NH1 2.79Å; E461-R469 WeakPolarHBondContact OE2-CD 3.42Å; E461-C470 VanDerWaalsContact CB-SG 3.54Å; E461-L473 HydrophobicContact CB-CD1 4.43Å; E461-L473 HydrophobicContact CG-CD1 3.86Å
462	I	90.2	Very high	89	Confident	63 Å²	63	66.3 Å²	66.3	32%	0.323	29%	0.293	S	S	.	.	H	α-helix	trans	-63.6	-46.5	170.4	-70.8	170.3	0	0	0	109.7	I458 E459 L464 R465 L494	I458-I462 HydrophobicContact CG2-CD1 3.66Å; I458-I462 HydrophobicContact CG2-CG1 4.2Å; I458-I462 WeakPolarHBondContact O-CB 3.13Å; I458-I462 VanDerWaalsContact O-CG1 3.27Å; I458-I462 WeakPolarHBondContact O-CG1 3.29Å; I458-I462 PolarHBondContact O-N 3.18Å; E459-I462 PolarHBondContact O-N 3.41Å; I462-L464 PolarHBondContact O-N 3.05Å; I462-R465 WeakPolarHBondContact O-CA 3.21Å; I462-R465 PolarHBondContact O-N 3.27Å; I462-L494 HydrophobicContact CD1-CD1 4.07Å; I462-L494 HydrophobicContact CG1-CD1 4.1Å
463	Q	88.3	Confident	89.2	Confident	130 Å²	130	59.5 Å²	59.5	61%	0.607	26%	0.264	S	S	*	.	H	α-helix	trans	-60	-33.2	175.4	-74.3	174.5	-12.1	0	0	112.4	E459 L460 R465	E459-Q463 VanDerWaalsContact O-CG 3.31Å; E459-Q463 WeakPolarHBondContact O-CG 3.33Å; E459-Q463 PolarHBondContact O-N 3.15Å; L460-Q463 PolarHBondContact O-N 3.14Å; Q463-R465 VanDerWaalsContact C-N 3.26Å; Q463-R465 PolarHBondContact O-N 3.38Å
464	L	86.3	Confident	89.3	Confident	56 Å²	56	60.2 Å²	60.2	29%	0.293	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-0	175	-64.6	170.8	0	0	0	113.9	L434 L460 E461 I462 E466	L434-L464 HydrophobicContact CD1-CD2 4.17Å; L434-L464 HydrophobicContact CD2-CD1 3.9Å; L434-L464 HydrophobicContact CD2-CD2 3.7Å; L434-L464 HydrophobicContact CD2-CG 4.48Å; L460-L464 VanDerWaalsContact O-CG 3.25Å; L460-L464 WeakPolarHBondContact O-CG 3.48Å; L460-L464 PolarHBondContact O-N 2.95Å; L460-L464 VanDerWaalsContact O-N 3.11Å; E461-L464 CarbonylContact O-C 3.58Å; E461-L464 PolarHBondContact O-N 2.98Å; I462-L464 PolarHBondContact O-N 3.05Å; L464-E466 HydrophobicContact CB-CG 4.41Å; L464-E466 PolarHBondContact O-N 3.4Å
465	R	87.5	Confident	89.3	Confident	203 Å²	203	64.6 Å²	64.6	77%	0.766	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	31.1	-177.3	-57.1	-175.1	177.5	-160.3	-0.2	114.3	E461 I462 Q463 F467	E461-R465 PolarHBondContact O-N 3.47Å; I462-R465 WeakPolarHBondContact O-CA 3.21Å; I462-R465 PolarHBondContact O-N 3.27Å; Q463-R465 VanDerWaalsContact C-N 3.26Å; Q463-R465 PolarHBondContact O-N 3.38Å; R465-F467 HydrophobicContact CB-CE2 4.19Å; R465-F467 HydrophobicContact CB-CZ 4.32Å; R465-F467 PolarHBondContact O-N 3.43Å
466	E	89.2	Confident	89.3	Confident	77 Å²	77	64.4 Å²	64.4	36%	0.36	29%	0.29	S	S	.	.			trans	-103	72.5	-177.5	-72.9	-112.1	-129.5	0	0	111.3	R438 E461 L464 D468 R469 C470	R438-E466 IonicContact CZ-OE1 2.73Å; R438-E466 IonicContact NH1-OE1 3.76Å; R438-E466 PolarHBondContact NH1-OE1 2.89Å; R438-E466 VanDerWaalsContact NH2-CD 3.3Å; R438-E466 VanDerWaalsContact NH2-CG 3.32Å; R438-E466 IonicContact NH2-OE1 3.47Å; R438-E466 PolarHBondContact NH2-OE1 3.27Å; E461-E466 PolarHBondContact O-N 2.84Å; L464-E466 HydrophobicContact CB-CG 4.41Å; L464-E466 PolarHBondContact O-N 3.4Å; E466-D468 PolarHBondContact O-N 2.95Å; E466-R469 HydrophobicContact CB-CB 4.46Å; E466-R469 WeakPolarHBondContact O-CB 3.28Å; E466-R469 PolarHBondContact O-N 2.97Å; E466-R469 VanDerWaalsContact O-N 3.14Å; E466-C470 PolarHBondContact O-N 3.38Å; E466-C470 VanDerWaalsContact O-N 3.15Å; E466-C470 PolarHBondContact O-SG 3.05Å
467	F	88.1	Confident	89.4	Confident	66 Å²	66	64.2 Å²	64.2	29%	0.289	29%	0.286	S	S	.	.	H	α-helix	trans	-65.5	-33.8	-170.7	-57	-65.3	0	0	0	114	R465 R469 C470 R471 L494 L498	R465-F467 HydrophobicContact CB-CE2 4.19Å; R465-F467 HydrophobicContact CB-CZ 4.32Å; R465-F467 PolarHBondContact O-N 3.43Å; F467-R469 PolarHBondContact O-N 3.42Å; F467-C470 WeakPolarHBondContact O-CA 3.47Å; F467-C470 WeakPolarHBondContact O-CB 3.38Å; F467-C470 PolarHBondContact O-N 2.74Å; F467-C470 VanDerWaalsContact O-N 3.07Å; F467-R471 WeakPolarHBondContact O-CG 3.22Å; F467-R471 PolarHBondContact O-N 3.35Å; F467-L494 HydrophobicContact CD1-CD1 4.18Å; F467-L494 HydrophobicContact CE1-CD1 4.31Å; F467-L498 HydrophobicContact CB-CD1 3.72Å; F467-L498 HydrophobicContact CB-CD2 4.27Å; F467-L498 HydrophobicContact CD1-CD1 3.85Å; F467-L498 HydrophobicContact CD1-CD2 3.66Å; F467-L498 HydrophobicContact CD1-CG 4.21Å; F467-L498 HydrophobicContact CD2-CD2 3.52Å; F467-L498 HydrophobicContact CE1-CD2 3.77Å; F467-L498 HydrophobicContact CE2-CD2 3.63Å; F467-L498 HydrophobicContact CG-CD1 3.78Å; F467-L498 HydrophobicContact CG-CD2 3.53Å; F467-L498 HydrophobicContact CG-CG 4.27Å; F467-L498 HydrophobicContact CZ-CD2 3.75Å
468	D	89.7	Confident	89.2	Confident	99 Å²	99	63.9 Å²	63.9	53%	0.529	29%	0.286	S	S	.	.	H	α-helix	trans	-63.1	-30.6	175.4	-70.2	-33.9	0	0	0	113	E466 R471 K472	E466-D468 PolarHBondContact O-N 2.95Å; D468-R471 IonicContact OD1-CZ 3.91Å; D468-R471 IonicContact OD1-NH1 3.83Å; D468-R471 PolarHBondContact OD1-NH1 3.31Å; D468-K472 WeakPolarHBondContact O-CG 3.32Å; D468-K472 PolarHBondContact O-N 3.11Å
469	R	89.3	Confident	89	Confident	96 Å²	96	71.3 Å²	71.3	36%	0.362	32%	0.321	S	S	.	.	H	α-helix	trans	-76.2	-39.5	173	-68.7	179.9	173.8	-117.2	-2.5	110.9	R438 E461 E466 F467 R471 K472 L473	R438-R469 VanDerWaalsContact CZ-CZ 3.45Å; R438-R469 VanDerWaalsContact NE-NH1 3.15Å; E461-R469 HydrophobicContact CG-CB 4.46Å; E461-R469 IonicContact OE1-NH1 2.79Å; E461-R469 WeakPolarHBondContact OE2-CD 3.42Å; E466-R469 HydrophobicContact CB-CB 4.46Å; E466-R469 WeakPolarHBondContact O-CB 3.28Å; E466-R469 PolarHBondContact O-N 2.97Å; E466-R469 VanDerWaalsContact O-N 3.14Å; F467-R469 PolarHBondContact O-N 3.42Å; R469-R471 VanDerWaalsContact C-N 3.28Å; R469-R471 PolarHBondContact O-N 3.47Å; R469-K472 PolarHBondContact O-N 3.1Å; R469-L473 WeakPolarHBondContact O-CG 3.32Å; R469-L473 PolarHBondContact O-N 3.4Å
470	C	90.3	Very high	88.7	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-56	-45	174.9	-60.5	0	0	0	0	110.9	E461 E466 F467 L473 Y474 L494	E461-C470 VanDerWaalsContact CB-SG 3.54Å; E466-C470 PolarHBondContact O-N 3.38Å; E466-C470 VanDerWaalsContact O-N 3.15Å; E466-C470 PolarHBondContact O-SG 3.05Å; F467-C470 WeakPolarHBondContact O-CA 3.47Å; F467-C470 WeakPolarHBondContact O-CB 3.38Å; F467-C470 PolarHBondContact O-N 2.74Å; F467-C470 VanDerWaalsContact O-N 3.07Å; C470-L473 WeakPolarHBondContact O-CB 3.43Å; C470-L473 PolarHBondContact O-N 2.94Å; C470-L473 VanDerWaalsContact O-N 3.14Å; C470-Y474 VanDerWaalsContact O-CD2 3.28Å; C470-Y474 WeakPolarHBondContact O-CD2 3.47Å; C470-Y474 PolarHBondContact O-N 2.84Å; C470-L494 HydrophobicContact CB-CD2 3.59Å
471	R	91.1	Very high	88.5	Confident	31 Å²	31	70.8 Å²	70.8	12%	0.117	32%	0.318	C	S	.	.	H	α-helix	trans	-54.1	-54.5	173.8	-72.6	166	-169.4	161.1	-8.7	112.6	F467 D468 R469 L473 Y474 E475 Y491 E495 E500	F467-R471 WeakPolarHBondContact O-CG 3.22Å; F467-R471 PolarHBondContact O-N 3.35Å; D468-R471 IonicContact OD1-CZ 3.91Å; D468-R471 IonicContact OD1-NH1 3.83Å; D468-R471 PolarHBondContact OD1-NH1 3.31Å; R469-R471 VanDerWaalsContact C-N 3.28Å; R469-R471 PolarHBondContact O-N 3.47Å; R471-L473 PolarHBondContact O-N 3.02Å; R471-Y474 PolarHBondContact O-N 2.81Å; R471-Y474 VanDerWaalsContact O-N 3.15Å; R471-E475 WeakPolarHBondContact O-CG 3.42Å; R471-E475 PolarHBondContact O-N 2.8Å; R471-Y491 HydrophobicContact CG-CE2 4.15Å; R471-E495 WeakPolarHBondContact CD-OE1 3.41Å; R471-E495 WeakPolarHBondContact CG-OE1 3.22Å; R471-E495 IonicContact CZ-OE1 3.37Å; R471-E495 IonicContact CZ-OE2 3.34Å; R471-E495 IonicContact NE-OE1 3.56Å; R471-E495 PolarHBondContact NE-OE1 3.35Å; R471-E495 IonicContact NE-OE2 3.52Å; R471-E495 PolarHBondContact NE-OE2 2.87Å; R471-E495 IonicContact NH2-OE1 3.79Å; R471-E495 IonicContact NH2-OE2 2.7Å; R471-E495 PolarHBondContact NH2-OE2 2.9Å; R471-E500 IonicContact CZ-OE1 2.83Å; R471-E500 IonicContact NH1-OE1 3.28Å; R471-E500 IonicContact NH2-OE1 3.2Å; R471-E500 PolarHBondContact NH2-OE1 3.35Å
472	K	91.1	Very high	88.1	Confident	128 Å²	128	72.2 Å²	72.2	56%	0.557	33%	0.328	S	S	*	.	H	α-helix	trans	-59.9	-33.5	177.7	-69.1	172.2	-176.2	170.3	0	112.6	D468 R469 K476	D468-K472 WeakPolarHBondContact O-CG 3.32Å; D468-K472 PolarHBondContact O-N 3.11Å; R469-K472 PolarHBondContact O-N 3.1Å; K472-K476 WeakPolarHBondContact O-CB 2.99Å; K472-K476 VanDerWaalsContact O-CG 3.3Å; K472-K476 WeakPolarHBondContact O-CG 3.46Å; K472-K476 PolarHBondContact O-N 2.85Å; K472-K476 VanDerWaalsContact O-N 3.17Å
473	L	90	Very high	87.8	Confident	14 Å²	14	73.1 Å²	73.1	7%	0.073	33%	0.331	C	S	.	.	H	α-helix	trans	-73.2	-41.5	176.8	-72.7	174.2	0	0	0	111.8	L445 Y457 I458 E461 R469 C470 R471 K476 F477	L445-L473 HydrophobicContact CD1-CD2 4.04Å; Y457-L473 HydrophobicContact CD1-CD1 3.75Å; Y457-L473 HydrophobicContact CD1-CD2 3.47Å; Y457-L473 VanDerWaalsContact CD1-CD2 3.47Å; Y457-L473 HydrophobicContact CD1-CG 4.28Å; Y457-L473 HydrophobicContact CD2-CD1 3.98Å; Y457-L473 HydrophobicContact CE1-CD1 3.95Å; Y457-L473 HydrophobicContact CE1-CD2 3.47Å; Y457-L473 VanDerWaalsContact CE1-CD2 3.47Å; Y457-L473 HydrophobicContact CE1-CG 4.33Å; Y457-L473 HydrophobicContact CE2-CD1 4.16Å; Y457-L473 HydrophobicContact CG-CD1 3.77Å; Y457-L473 HydrophobicContact CG-CD2 4.31Å; I458-L473 HydrophobicContact CD1-CB 4.34Å; I458-L473 HydrophobicContact CG1-CB 3.74Å; I458-L473 HydrophobicContact CG1-CD1 4.19Å; E461-L473 HydrophobicContact CB-CD1 4.43Å; E461-L473 HydrophobicContact CG-CD1 3.86Å; R469-L473 WeakPolarHBondContact O-CG 3.32Å; R469-L473 PolarHBondContact O-N 3.4Å; C470-L473 WeakPolarHBondContact O-CB 3.43Å; C470-L473 PolarHBondContact O-N 2.94Å; C470-L473 VanDerWaalsContact O-N 3.14Å; R471-L473 PolarHBondContact O-N 3.02Å; L473-K476 PolarHBondContact O-N 2.73Å; L473-F477 VanDerWaalsContact O-CB 3.3Å; L473-F477 WeakPolarHBondContact O-CB 3.47Å; L473-F477 PolarHBondContact O-N 3.22Å
474	Y	90.4	Very high	87.6	Confident	17 Å²	17	68.3 Å²	68.3	7%	0.067	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-44.2	173.2	-84.6	-65.7	0	0	0	111.7	I458 C470 R471 K476 F477 L478 R490 Y491 L494	I458-Y474 HydrophobicContact CD1-CD1 3.81Å; I458-Y474 HydrophobicContact CD1-CD2 4.31Å; I458-Y474 HydrophobicContact CD1-CE1 3.75Å; I458-Y474 HydrophobicContact CD1-CE2 4.26Å; I458-Y474 HydrophobicContact CD1-CG 4.1Å; I458-Y474 HydrophobicContact CG2-CD2 4.33Å; I458-Y474 HydrophobicContact CG2-CE1 4.44Å; I458-Y474 HydrophobicContact CG2-CE2 3.53Å; C470-Y474 VanDerWaalsContact O-CD2 3.28Å; C470-Y474 WeakPolarHBondContact O-CD2 3.47Å; C470-Y474 PolarHBondContact O-N 2.84Å; R471-Y474 PolarHBondContact O-N 2.81Å; R471-Y474 VanDerWaalsContact O-N 3.15Å; Y474-K476 VanDerWaalsContact C-N 3.34Å; Y474-K476 PolarHBondContact O-N 3.26Å; Y474-F477 CarbonylContact O-C 3.25Å; Y474-F477 WeakPolarHBondContact O-CA 3.48Å; Y474-F477 WeakPolarHBondContact O-CB 3.49Å; Y474-F477 PolarHBondContact O-N 3.18Å; Y474-L478 WeakPolarHBondContact O-CB 3.34Å; Y474-L478 VanDerWaalsContact O-CG 3.27Å; Y474-L478 WeakPolarHBondContact O-CG 3.5Å; Y474-L478 PolarHBondContact O-N 2.78Å; Y474-R490 HydrophobicContact CE1-CB 4.13Å; Y474-R490 WeakPolarHBondContact OH-CB 3.27Å; Y474-R490 PolarHBondContact OH-O 3.38Å; Y474-Y491 HydrophobicContact CD1-CD2 4.3Å; Y474-Y491 HydrophobicContact CD1-CG 4.08Å; Y474-Y491 AromaticContact CD2-CD2 3.47Å; Y474-Y491 HydrophobicContact CD2-CD2 3.47Å; Y474-Y491 VanDerWaalsContact CD2-CD2 3.47Å; Y474-Y491 HydrophobicContact CD2-CE2 4.1Å; Y474-Y491 HydrophobicContact CD2-CG 4.09Å; Y474-Y491 HydrophobicContact CE2-CD2 4.21Å; Y474-Y491 HydrophobicContact CG-CD1 4.49Å; Y474-Y491 AromaticContact CG-CD2 3.52Å; Y474-Y491 HydrophobicContact CG-CD2 3.52Å; Y474-Y491 HydrophobicContact CG-CE2 4.22Å; Y474-Y491 AromaticContact CG-CG 3.69Å; Y474-Y491 HydrophobicContact CG-CG 3.69Å; Y474-L494 HydrophobicContact CD2-CD2 4.05Å; Y474-L494 HydrophobicContact CE2-CB 4.34Å; Y474-L494 HydrophobicContact CE2-CD2 3.63Å
475	E	89.7	Confident	87.4	Confident	102 Å²	102	65.9 Å²	65.9	48%	0.477	30%	0.297	S	S	.	.	H	α-helix	trans	-54.8	-49.5	173.9	-73.3	171.6	172.8	0	0	111.4	R471 F477 L478 E479	R471-E475 WeakPolarHBondContact O-CG 3.42Å; R471-E475 PolarHBondContact O-N 2.8Å; E475-F477 VanDerWaalsContact C-N 3.3Å; E475-F477 PolarHBondContact O-N 3.45Å; E475-L478 PolarHBondContact O-N 2.67Å; E475-E479 WeakPolarHBondContact O-CG 3.37Å; E475-E479 PolarHBondContact O-N 2.84Å
476	K	89	Confident	87.4	Confident	120 Å²	120	58.4 Å²	58.4	52%	0.522	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-32.8	174.9	-73.6	179.6	-179.6	-174.2	0	113.4	F454 K472 L473 Y474 L478 F480	F454-K476 HydrophobicContact CE1-CB 4.21Å; K472-K476 WeakPolarHBondContact O-CB 2.99Å; K472-K476 VanDerWaalsContact O-CG 3.3Å; K472-K476 WeakPolarHBondContact O-CG 3.46Å; K472-K476 PolarHBondContact O-N 2.85Å; K472-K476 VanDerWaalsContact O-N 3.17Å; L473-K476 PolarHBondContact O-N 2.73Å; Y474-K476 VanDerWaalsContact C-N 3.34Å; Y474-K476 PolarHBondContact O-N 3.26Å; K476-L478 VanDerWaalsContact C-N 3.35Å; K476-F480 PolarHBondContact O-N 3.31Å; K476-F480 VanDerWaalsContact O-N 3.11Å
477	F	89.5	Confident	87.3	Confident	3 Å²	3	54.9 Å²	54.9	1%	0.013	26%	0.258	C	S	.	.	H	α-helix	trans	-69.2	-38.4	176.7	-166.3	-173.8	0	0	0	110.5	D451 F454 R455 I458 L473 Y474 E475 F480 S481 T487	D451-F477 HydrophobicContact CB-CE2 4.13Å; D451-F477 HydrophobicContact CB-CZ 3.89Å; F454-F477 HydrophobicContact CB-CB 4.33Å; F454-F477 HydrophobicContact CB-CD1 3.61Å; F454-F477 HydrophobicContact CB-CD2 3.81Å; F454-F477 HydrophobicContact CB-CE1 3.7Å; F454-F477 HydrophobicContact CB-CE2 3.92Å; F454-F477 HydrophobicContact CB-CG 3.66Å; F454-F477 HydrophobicContact CB-CZ 3.87Å; F454-F477 HydrophobicContact CD1-CB 3.75Å; F454-F477 HydrophobicContact CD1-CD2 4.23Å; F454-F477 AromaticContact CD1-CG 3.97Å; F454-F477 HydrophobicContact CD1-CG 3.97Å; F454-F477 AromaticContact CD2-CD2 3.53Å; F454-F477 HydrophobicContact CD2-CD2 3.53Å; F454-F477 AromaticContact CD2-CE2 3.85Å; F454-F477 HydrophobicContact CD2-CE2 3.85Å; F454-F477 HydrophobicContact CD2-CG 4.09Å; F454-F477 HydrophobicContact CE1-CB 4.12Å; F454-F477 HydrophobicContact CE2-CD2 4.1Å; F454-F477 HydrophobicContact CG-CB 4Å; F454-F477 HydrophobicContact CG-CD1 4.15Å; F454-F477 AromaticContact CG-CD2 3.61Å; F454-F477 HydrophobicContact CG-CD2 3.61Å; F454-F477 HydrophobicContact CG-CE2 4.08Å; F454-F477 AromaticContact CG-CG 3.67Å; F454-F477 HydrophobicContact CG-CG 3.67Å; R455-F477 HydrophobicContact CG-CE1 4.2Å; I458-F477 HydrophobicContact CD1-CD1 3.95Å; L473-F477 VanDerWaalsContact O-CB 3.3Å; L473-F477 WeakPolarHBondContact O-CB 3.47Å; L473-F477 PolarHBondContact O-N 3.22Å; Y474-F477 CarbonylContact O-C 3.25Å; Y474-F477 WeakPolarHBondContact O-CA 3.48Å; Y474-F477 WeakPolarHBondContact O-CB 3.49Å; Y474-F477 PolarHBondContact O-N 3.18Å; E475-F477 VanDerWaalsContact C-N 3.3Å; E475-F477 PolarHBondContact O-N 3.45Å; F477-F480 PolarHBondContact O-N 3.11Å; F477-S481 VanDerWaalsContact CD2-OG 3.22Å; F477-S481 WeakPolarHBondContact CD2-OG 3.11Å; F477-S481 WeakPolarHBondContact CE2-OG 3.26Å; F477-S481 PolarHBondContact O-N 3.16Å; F477-S481 PolarHBondContact O-OG 2.96Å; F477-T487 HydrophobicContact CD1-CG2 3.73Å; F477-T487 HydrophobicContact CD2-CG2 4.25Å; F477-T487 HydrophobicContact CE1-CG2 3.24Å; F477-T487 HydrophobicContact CE2-CG2 3.81Å; F477-T487 HydrophobicContact CG-CG2 4.22Å; F477-T487 HydrophobicContact CZ-CG2 3.28Å
478	L	86.6	Confident	87.4	Confident	14 Å²	14	52.3 Å²	52.3	7%	0.073	25%	0.246	C	C	.	.	H	α-helix	trans	-71.5	-30.9	175.5	-66.8	175.8	0	0	0	112.9	Y474 E475 K476 F480 P482 T487 W488 Y491	Y474-L478 WeakPolarHBondContact O-CB 3.34Å; Y474-L478 VanDerWaalsContact O-CG 3.27Å; Y474-L478 WeakPolarHBondContact O-CG 3.5Å; Y474-L478 PolarHBondContact O-N 2.78Å; E475-L478 PolarHBondContact O-N 2.67Å; K476-L478 VanDerWaalsContact C-N 3.35Å; L478-F480 VanDerWaalsContact C-N 3.33Å; L478-P482 WeakPolarHBondContact O-CA 3.43Å; L478-T487 WeakPolarHBondContact CD2-OG1 3.39Å; L478-W488 HydrophobicContact CB-CH2 4.48Å; L478-W488 HydrophobicContact CB-CZ2 4.33Å; L478-W488 HydrophobicContact CD1-CD2 4.24Å; L478-W488 HydrophobicContact CD1-CE3 3.82Å; L478-W488 HydrophobicContact CD1-CH2 3.66Å; L478-W488 HydrophobicContact CD1-CZ2 4.06Å; L478-W488 HydrophobicContact CD1-CZ3 3.55Å; L478-W488 HydrophobicContact CD2-CD2 3.6Å; L478-W488 HydrophobicContact CD2-CE3 4.08Å; L478-W488 HydrophobicContact CD2-CG 4.01Å; L478-W488 HydrophobicContact CD2-CH2 4.14Å; L478-W488 HydrophobicContact CD2-CZ2 3.63Å; L478-W488 HydrophobicContact CD2-CZ3 4.35Å; L478-W488 HydrophobicContact CG-CH2 4.3Å; L478-W488 HydrophobicContact CG-CZ2 4.21Å; L478-Y491 HydrophobicContact CD1-CD1 3.82Å; L478-Y491 HydrophobicContact CD1-CE1 4.25Å
479	E	86.1	Confident	87.3	Confident	159 Å²	159	49.3 Å²	49.3	74%	0.743	23%	0.229	S	C	*	.	H	α-helix	trans	-63.8	-39.1	168.3	-73.3	175.4	174.2	0	0	111.7	E475	E475-E479 WeakPolarHBondContact O-CG 3.37Å; E475-E479 PolarHBondContact O-N 2.84Å
480	F	84.4	Confident	87.2	Confident	91 Å²	91	51.7 Å²	51.7	40%	0.399	24%	0.238	S	C	.	.	H	α-helix	trans	-77.2	-48.8	-179.6	175.5	-105	0	0	0	113.1	P449 F454 K476 F477 L478	P449-F480 HydrophobicContact CB-CD2 3.66Å; P449-F480 HydrophobicContact CB-CE1 4.44Å; P449-F480 HydrophobicContact CB-CE2 3.5Å; P449-F480 VanDerWaalsContact CB-CE2 3.5Å; P449-F480 HydrophobicContact CB-CG 4.21Å; P449-F480 HydrophobicContact CB-CZ 3.91Å; P449-F480 HydrophobicContact CG-CD2 3.99Å; P449-F480 HydrophobicContact CG-CE2 3.53Å; P449-F480 HydrophobicContact CG-CZ 4.17Å; P449-F480 WeakPolarHBondContact O-CZ 3.48Å; F454-F480 HydrophobicContact CD2-CD1 4.34Å; F454-F480 HydrophobicContact CE2-CB 4.04Å; F454-F480 AromaticContact CE2-CD1 3.79Å; F454-F480 HydrophobicContact CE2-CD1 3.79Å; F454-F480 AromaticContact CE2-CG 3.94Å; F454-F480 HydrophobicContact CE2-CG 3.94Å; F454-F480 HydrophobicContact CZ-CB 4.16Å; F454-F480 HydrophobicContact CZ-CG 4.49Å; K476-F480 PolarHBondContact O-N 3.31Å; K476-F480 VanDerWaalsContact O-N 3.11Å; F477-F480 PolarHBondContact O-N 3.11Å; L478-F480 VanDerWaalsContact C-N 3.33Å
481	S	82.2	Confident	87.2	Confident	16 Å²	16	52.3 Å²	52.3	11%	0.112	24%	0.241	C	C	.	.			trans	-129	78.6	-176.6	61.7	0	0	0	0	110.6	F477 E483	F477-S481 VanDerWaalsContact CD2-OG 3.22Å; F477-S481 WeakPolarHBondContact CD2-OG 3.11Å; F477-S481 WeakPolarHBondContact CE2-OG 3.26Å; F477-S481 PolarHBondContact O-N 3.16Å; F477-S481 PolarHBondContact O-OG 2.96Å; S481-E483 VanDerWaalsContact C-N 3.31Å; S481-E483 PolarHBondContact O-N 3.28Å
482	P	82.1	Confident	87.2	Confident	32 Å²	32	50.9 Å²	50.9	21%	0.208	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-25.9	-179.4	21.3	-30.2	0	0	0	114.6	L478 W488	L478-P482 WeakPolarHBondContact O-CA 3.43Å; P482-W488 PolarHBondContact O-NE1 2.68Å
483	E	82.5	Confident	87.1	Confident	81 Å²	81	47.8 Å²	47.8	38%	0.379	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-22.3	-172.7	-56	-58.4	140.2	0	0	112.8	S481 C485 L516 D518	S481-E483 VanDerWaalsContact C-N 3.31Å; S481-E483 PolarHBondContact O-N 3.28Å; E483-C485 PolarHBondContact O-N 3.14Å; E483-L516 WeakPolarHBondContact OE2-CB 3.36Å; E483-D518 WeakPolarHBondContact O-CB 3.26Å; E483-D518 PolarHBondContact O-N 2.93Å
484	N	84.3	Confident	87.1	Confident	30 Å²	30	47.6 Å²	47.6	16%	0.16	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-77	104.7	-169.7	-172	-15.8	0	0	0	111.5	D451 T486 T487 W488	D451-N484 PolarHBondContact OD2-ND2 3.4Å; N484-T486 PolarHBondContact ND2-OG1 3.42Å; N484-T486 PolarHBondContact O-N 2.84Å; N484-T486 WeakPolarHBondContact OD1-CB 3.35Å; N484-T486 PolarHBondContact OD1-N 2.84Å; N484-T486 PolarHBondContact OD1-OG1 2.9Å; N484-T487 HydrophobicContact CB-CG2 3.98Å; N484-T487 PolarHBondContact O-N 2.93Å; N484-T487 PolarHBondContact O-OG1 3.07Å; N484-W488 VanDerWaalsContact O-CD1 3.3Å
485	C	82.8	Confident	87	Confident	4 Å²	4	46.8 Å²	46.8	3%	0.027	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-30	179	-75.7	0	0	0	0	113.8	E483 T487 W488 M489 D518	E483-C485 PolarHBondContact O-N 3.14Å; C485-T487 PolarHBondContact O-N 3.27Å; C485-W488 PolarHBondContact O-N 3.33Å; C485-M489 WeakPolarHBondContact O-CG 3.45Å; C485-M489 PolarHBondContact O-N 3.37Å; C485-D518 VanDerWaalsContact CB-O 3.29Å; C485-D518 WeakPolarHBondContact CB-O 3.36Å; C485-D518 PolarHBondContact SG-O 3.46Å
486	T	86.6	Confident	87	Confident	47 Å²	47	43 Å²	43	29%	0.288	20%	0.203	S	C	.	.	H	α-helix	trans	-65.6	-28.8	-179.2	67.2	0	0	0	0	112.4	R455 N484 R490	R455-T486 PolarHBondContact NH2-OG1 3.24Å; N484-T486 PolarHBondContact ND2-OG1 3.42Å; N484-T486 PolarHBondContact O-N 2.84Å; N484-T486 WeakPolarHBondContact OD1-CB 3.35Å; N484-T486 PolarHBondContact OD1-N 2.84Å; N484-T486 PolarHBondContact OD1-OG1 2.9Å; T486-R490 WeakPolarHBondContact O-CB 3.38Å; T486-R490 WeakPolarHBondContact O-CG 3.47Å; T486-R490 PolarHBondContact O-N 3.09Å; T486-R490 VanDerWaalsContact O-N 3.09Å
487	T	87.2	Confident	86.9	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-74.3	-39.8	178.1	62.3	0	0	0	0	111.1	F477 L478 N484 C485 Y491	F477-T487 HydrophobicContact CD1-CG2 3.73Å; F477-T487 HydrophobicContact CD2-CG2 4.25Å; F477-T487 HydrophobicContact CE1-CG2 3.24Å; F477-T487 HydrophobicContact CE2-CG2 3.81Å; F477-T487 HydrophobicContact CG-CG2 4.22Å; F477-T487 HydrophobicContact CZ-CG2 3.28Å; L478-T487 WeakPolarHBondContact CD2-OG1 3.39Å; N484-T487 HydrophobicContact CB-CG2 3.98Å; N484-T487 PolarHBondContact O-N 2.93Å; N484-T487 PolarHBondContact O-OG1 3.07Å; C485-T487 PolarHBondContact O-N 3.27Å; T487-Y491 WeakPolarHBondContact O-CB 3.46Å; T487-Y491 PolarHBondContact O-N 3.33Å
488	W	90.3	Very high	86.8	Confident	12 Å²	12	47 Å²	47	5%	0.045	23%	0.23	C	C	.	.	H	α-helix	trans	-61.2	-48.6	173.2	-68.5	102.6	0	0	0	111.9	L478 P482 N484 C485 Y491 A492 I507 L510 A511 L523	L478-W488 HydrophobicContact CB-CH2 4.48Å; L478-W488 HydrophobicContact CB-CZ2 4.33Å; L478-W488 HydrophobicContact CD1-CD2 4.24Å; L478-W488 HydrophobicContact CD1-CE3 3.82Å; L478-W488 HydrophobicContact CD1-CH2 3.66Å; L478-W488 HydrophobicContact CD1-CZ2 4.06Å; L478-W488 HydrophobicContact CD1-CZ3 3.55Å; L478-W488 HydrophobicContact CD2-CD2 3.6Å; L478-W488 HydrophobicContact CD2-CE3 4.08Å; L478-W488 HydrophobicContact CD2-CG 4.01Å; L478-W488 HydrophobicContact CD2-CH2 4.14Å; L478-W488 HydrophobicContact CD2-CZ2 3.63Å; L478-W488 HydrophobicContact CD2-CZ3 4.35Å; L478-W488 HydrophobicContact CG-CH2 4.3Å; L478-W488 HydrophobicContact CG-CZ2 4.21Å; P482-W488 PolarHBondContact O-NE1 2.68Å; N484-W488 VanDerWaalsContact O-CD1 3.3Å; C485-W488 PolarHBondContact O-N 3.33Å; W488-Y491 PolarHBondContact O-N 3.28Å; W488-A492 PolarHBondContact O-N 3.17Å; W488-I507 HydrophobicContact CE3-CG2 3.82Å; W488-I507 HydrophobicContact CZ3-CG2 4.26Å; W488-L510 HydrophobicContact CZ3-CB 4.21Å; W488-A511 HydrophobicContact CB-CB 4.07Å; W488-A511 HydrophobicContact CD2-CB 3.6Å; W488-A511 HydrophobicContact CE3-CB 3.61Å; W488-A511 HydrophobicContact CG-CB 3.81Å; W488-A511 HydrophobicContact CZ3-CB 4.28Å; W488-L523 HydrophobicContact CB-CD1 3.96Å
489	M	88.1	Confident	86.7	Confident	36 Å²	36	48.9 Å²	48.9	18%	0.177	25%	0.253	C	S	.	.	H	α-helix	trans	-58.2	-51.1	177.7	-69.6	171.2	62.1	0	0	111.2	C485 Y491 A492 E493 L522 L523 A526	C485-M489 WeakPolarHBondContact O-CG 3.45Å; C485-M489 PolarHBondContact O-N 3.37Å; M489-Y491 VanDerWaalsContact C-N 3.29Å; M489-Y491 PolarHBondContact O-N 2.97Å; M489-A492 PolarHBondContact O-N 2.84Å; M489-E493 WeakPolarHBondContact O-CB 3.46Å; M489-E493 VanDerWaalsContact O-CG 3.27Å; M489-E493 WeakPolarHBondContact O-CG 3.39Å; M489-E493 PolarHBondContact O-N 2.62Å; M489-L522 HydrophobicContact SD-CB 4.01Å; M489-L523 HydrophobicContact CG-CD1 4.18Å; M489-A526 HydrophobicContact CE-CB 3.98Å; M489-A526 HydrophobicContact CG-CB 4.1Å
490	R	87.3	Confident	86.8	Confident	146 Å²	146	44.6 Å²	44.6	55%	0.551	23%	0.233	S	C	*	.	H	α-helix	trans	-64.8	-31.5	179.8	-66.3	-53.2	-173.4	176	0.7	113.5	Y474 T486 E493 L494	Y474-R490 HydrophobicContact CE1-CB 4.13Å; Y474-R490 WeakPolarHBondContact OH-CB 3.27Å; Y474-R490 PolarHBondContact OH-O 3.38Å; T486-R490 WeakPolarHBondContact O-CB 3.38Å; T486-R490 WeakPolarHBondContact O-CG 3.47Å; T486-R490 PolarHBondContact O-N 3.09Å; T486-R490 VanDerWaalsContact O-N 3.09Å; R490-E493 WeakPolarHBondContact CD-OE2 3.36Å; R490-E493 IonicContact CZ-OE2 2.84Å; R490-E493 IonicContact NE-OE2 3.83Å; R490-E493 IonicContact NH1-OE1 3.86Å; R490-E493 IonicContact NH1-OE2 3.29Å; R490-E493 PolarHBondContact NH1-OE2 3.26Å; R490-L494 WeakPolarHBondContact O-CB 3.09Å; R490-L494 PolarHBondContact O-N 3.05Å; R490-L494 VanDerWaalsContact O-N 3.08Å
491	Y	90.9	Very high	86.9	Confident	13 Å²	13	42 Å²	42	5%	0.051	22%	0.224	C	C	.	.	H	α-helix	trans	-70	-44.3	175.9	-173.1	-155.3	0	0	0	111.4	R471 Y474 L478 T487 W488 M489 L494 E495 I507	R471-Y491 HydrophobicContact CG-CE2 4.15Å; Y474-Y491 HydrophobicContact CD1-CD2 4.3Å; Y474-Y491 HydrophobicContact CD1-CG 4.08Å; Y474-Y491 AromaticContact CD2-CD2 3.47Å; Y474-Y491 HydrophobicContact CD2-CD2 3.47Å; Y474-Y491 VanDerWaalsContact CD2-CD2 3.47Å; Y474-Y491 HydrophobicContact CD2-CE2 4.1Å; Y474-Y491 HydrophobicContact CD2-CG 4.09Å; Y474-Y491 HydrophobicContact CE2-CD2 4.21Å; Y474-Y491 HydrophobicContact CG-CD1 4.49Å; Y474-Y491 AromaticContact CG-CD2 3.52Å; Y474-Y491 HydrophobicContact CG-CD2 3.52Å; Y474-Y491 HydrophobicContact CG-CE2 4.22Å; Y474-Y491 AromaticContact CG-CG 3.69Å; Y474-Y491 HydrophobicContact CG-CG 3.69Å; L478-Y491 HydrophobicContact CD1-CD1 3.82Å; L478-Y491 HydrophobicContact CD1-CE1 4.25Å; T487-Y491 WeakPolarHBondContact O-CB 3.46Å; T487-Y491 PolarHBondContact O-N 3.33Å; W488-Y491 PolarHBondContact O-N 3.28Å; M489-Y491 VanDerWaalsContact C-N 3.29Å; M489-Y491 PolarHBondContact O-N 2.97Å; Y491-L494 PolarHBondContact O-N 3.28Å; Y491-E495 HydrophobicContact CD2-CG 4.38Å; Y491-E495 HydrophobicContact CE2-CG 4.09Å; Y491-E495 PolarHBondContact O-N 3.02Å; Y491-E495 VanDerWaalsContact O-N 3.14Å; Y491-I507 HydrophobicContact CD1-CD1 3.53Å; Y491-I507 HydrophobicContact CD1-CG1 3.86Å; Y491-I507 HydrophobicContact CD1-CG2 3.82Å; Y491-I507 HydrophobicContact CD2-CD1 4.02Å; Y491-I507 HydrophobicContact CE1-CD1 3.48Å; Y491-I507 VanDerWaalsContact CE1-CD1 3.48Å; Y491-I507 HydrophobicContact CE1-CG1 3.76Å; Y491-I507 HydrophobicContact CE2-CD1 3.95Å; Y491-I507 HydrophobicContact CG-CD1 3.82Å; Y491-I507 HydrophobicContact CG-CG2 4.37Å
492	A	90.2	Very high	87.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.1	-39.9	177.5	0	0	0	0	0	112.4	W488 M489 L494 E495 S496 I507 Y508	W488-A492 PolarHBondContact O-N 3.17Å; M489-A492 PolarHBondContact O-N 2.84Å; A492-L494 VanDerWaalsContact C-N 3.3Å; A492-L494 PolarHBondContact O-N 3.07Å; A492-E495 PolarHBondContact O-N 2.94Å; A492-S496 WeakPolarHBondContact O-CB 3.06Å; A492-S496 PolarHBondContact O-N 3.28Å; A492-I507 HydrophobicContact CB-CB 4.38Å; A492-I507 HydrophobicContact CB-CG2 4.04Å; A492-Y508 HydrophobicContact CB-CD1 4.18Å; A492-Y508 HydrophobicContact CB-CD2 3.85Å; A492-Y508 HydrophobicContact CB-CE1 3.74Å; A492-Y508 HydrophobicContact CB-CE2 3.38Å; A492-Y508 HydrophobicContact CB-CG 4.22Å
493	E	89.8	Confident	87.6	Confident	63 Å²	63	49.7 Å²	49.7	29%	0.294	26%	0.255	S	S	.	.	H	α-helix	trans	-56.7	-43.2	171	-76	169.3	-156.3	0	0	111.3	M489 R490 S496 L497	M489-E493 WeakPolarHBondContact O-CB 3.46Å; M489-E493 VanDerWaalsContact O-CG 3.27Å; M489-E493 WeakPolarHBondContact O-CG 3.39Å; M489-E493 PolarHBondContact O-N 2.62Å; R490-E493 WeakPolarHBondContact CD-OE2 3.36Å; R490-E493 IonicContact CZ-OE2 2.84Å; R490-E493 IonicContact NE-OE2 3.83Å; R490-E493 IonicContact NH1-OE1 3.86Å; R490-E493 IonicContact NH1-OE2 3.29Å; R490-E493 PolarHBondContact NH1-OE2 3.26Å; E493-S496 WeakPolarHBondContact O-CB 3.44Å; E493-S496 PolarHBondContact O-N 3.49Å; E493-L497 VanDerWaalsContact O-CG 3.27Å; E493-L497 WeakPolarHBondContact O-CG 3.43Å; E493-L497 PolarHBondContact O-N 2.92Å
494	L	88.7	Confident	87.9	Confident	11 Å²	11	45.8 Å²	45.8	6%	0.058	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-46.1	177.3	-178.4	70.2	0	0	0	112	I462 F467 C470 Y474 R490 Y491 A492 S496 L497 L498	I462-L494 HydrophobicContact CD1-CD1 4.07Å; I462-L494 HydrophobicContact CG1-CD1 4.1Å; F467-L494 HydrophobicContact CD1-CD1 4.18Å; F467-L494 HydrophobicContact CE1-CD1 4.31Å; C470-L494 HydrophobicContact CB-CD2 3.59Å; Y474-L494 HydrophobicContact CD2-CD2 4.05Å; Y474-L494 HydrophobicContact CE2-CB 4.34Å; Y474-L494 HydrophobicContact CE2-CD2 3.63Å; R490-L494 WeakPolarHBondContact O-CB 3.09Å; R490-L494 PolarHBondContact O-N 3.05Å; R490-L494 VanDerWaalsContact O-N 3.08Å; Y491-L494 PolarHBondContact O-N 3.28Å; A492-L494 VanDerWaalsContact C-N 3.3Å; A492-L494 PolarHBondContact O-N 3.07Å; L494-S496 VanDerWaalsContact C-N 3.33Å; L494-L497 PolarHBondContact O-N 3.14Å; L494-L498 HydrophobicContact CG-CD1 4.3Å; L494-L498 WeakPolarHBondContact O-CG 3.27Å; L494-L498 PolarHBondContact O-N 3.42Å
495	E	89.9	Confident	88.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.8	-33	178.6	-65.5	-59.5	149.7	0	0	112.3	R471 Y491 A492 L498 G499 E500 R503 A504 I507	R471-E495 WeakPolarHBondContact CD-OE1 3.41Å; R471-E495 WeakPolarHBondContact CG-OE1 3.22Å; R471-E495 IonicContact CZ-OE1 3.37Å; R471-E495 IonicContact CZ-OE2 3.34Å; R471-E495 IonicContact NE-OE1 3.56Å; R471-E495 PolarHBondContact NE-OE1 3.35Å; R471-E495 IonicContact NE-OE2 3.52Å; R471-E495 PolarHBondContact NE-OE2 2.87Å; R471-E495 IonicContact NH2-OE1 3.79Å; R471-E495 IonicContact NH2-OE2 2.7Å; R471-E495 PolarHBondContact NH2-OE2 2.9Å; Y491-E495 HydrophobicContact CD2-CG 4.38Å; Y491-E495 HydrophobicContact CE2-CG 4.09Å; Y491-E495 PolarHBondContact O-N 3.02Å; Y491-E495 VanDerWaalsContact O-N 3.14Å; A492-E495 PolarHBondContact O-N 2.94Å; E495-L498 PolarHBondContact O-N 3.3Å; E495-G499 PolarHBondContact O-N 2.99Å; E495-E500 PolarHBondContact O-N 3.14Å; E495-R503 HydrophobicContact CG-CB 4.45Å; E495-R503 HydrophobicContact CG-CG 4.12Å; E495-R503 IonicContact OE1-NH1 3.75Å; E495-R503 WeakPolarHBondContact OE2-CD 3.47Å; E495-R503 IonicContact OE2-CZ 2.74Å; E495-R503 IonicContact OE2-NH1 3.81Å; E495-R503 PolarHBondContact OE2-NH1 3.22Å; E495-A504 HydrophobicContact CB-CB 4.11Å; E495-I507 HydrophobicContact CB-CD1 4.34Å; E495-I507 HydrophobicContact CG-CD1 3.65Å
496	S	88.2	Confident	88.5	Confident	22 Å²	22	47.2 Å²	47.2	15%	0.154	25%	0.249	C	C	.	.	H	α-helix	trans	-59.8	-48.5	171.6	-175.8	0	0	0	0	111.2	A492 E493 L494 L498 G499 F530	A492-S496 WeakPolarHBondContact O-CB 3.06Å; A492-S496 PolarHBondContact O-N 3.28Å; E493-S496 WeakPolarHBondContact O-CB 3.44Å; E493-S496 PolarHBondContact O-N 3.49Å; L494-S496 VanDerWaalsContact C-N 3.33Å; S496-L498 PolarHBondContact O-N 3.08Å; S496-G499 PolarHBondContact O-N 3.28Å; S496-F530 WeakPolarHBondContact OG-CE2 3.37Å
497	L	87.5	Confident	88.7	Confident	152 Å²	152	45.3 Å²	45.3	80%	0.796	24%	0.237	S	C	*	.	H	α-helix	trans	-63.7	-24.2	178	-70.8	171	0	0	0	113.3	E493 L494 G499	E493-L497 VanDerWaalsContact O-CG 3.27Å; E493-L497 WeakPolarHBondContact O-CG 3.43Å; E493-L497 PolarHBondContact O-N 2.92Å; L494-L497 PolarHBondContact O-N 3.14Å; L497-G499 VanDerWaalsContact C-N 3.3Å
498	L	87.7	Confident	88.8	Confident	55 Å²	55	45.5 Å²	45.5	29%	0.288	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-4.5	174.3	-67.6	169.8	0	0	0	113.5	F467 L494 E495 S496 E500	F467-L498 HydrophobicContact CB-CD1 3.72Å; F467-L498 HydrophobicContact CB-CD2 4.27Å; F467-L498 HydrophobicContact CD1-CD1 3.85Å; F467-L498 HydrophobicContact CD1-CD2 3.66Å; F467-L498 HydrophobicContact CD1-CG 4.21Å; F467-L498 HydrophobicContact CD2-CD2 3.52Å; F467-L498 HydrophobicContact CE1-CD2 3.77Å; F467-L498 HydrophobicContact CE2-CD2 3.63Å; F467-L498 HydrophobicContact CG-CD1 3.78Å; F467-L498 HydrophobicContact CG-CD2 3.53Å; F467-L498 HydrophobicContact CG-CG 4.27Å; F467-L498 HydrophobicContact CZ-CD2 3.75Å; L494-L498 HydrophobicContact CG-CD1 4.3Å; L494-L498 WeakPolarHBondContact O-CG 3.27Å; L494-L498 PolarHBondContact O-N 3.42Å; E495-L498 PolarHBondContact O-N 3.3Å; S496-L498 PolarHBondContact O-N 3.08Å; L498-E500 VanDerWaalsContact C-N 3.28Å
499	G	84.7	Confident	88.7	Confident	54 Å²	54	47.3 Å²	47.3	56%	0.557	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.3	7.1	-176.2	0	0	0	0	0	114.1	E495 S496 L497 T501	E495-G499 PolarHBondContact O-N 2.99Å; S496-G499 PolarHBondContact O-N 3.28Å; L497-G499 VanDerWaalsContact C-N 3.3Å; G499-T501 VanDerWaalsContact C-N 3.29Å; G499-T501 PolarHBondContact O-N 2.98Å
500	E	88	Confident	88.7	Confident	69 Å²	69	51 Å²	51	32%	0.322	27%	0.266	S	S	.	.			trans	-86.8	69.5	178.1	-69.8	-155.9	-136.2	0	0	111.2	R471 E495 L498 D502 R503 A504	R471-E500 IonicContact CZ-OE1 2.83Å; R471-E500 IonicContact NH1-OE1 3.28Å; R471-E500 IonicContact NH2-OE1 3.2Å; R471-E500 PolarHBondContact NH2-OE1 3.35Å; E495-E500 PolarHBondContact O-N 3.14Å; L498-E500 VanDerWaalsContact C-N 3.28Å; E500-D502 VanDerWaalsContact C-N 3.34Å; E500-D502 PolarHBondContact O-N 3.15Å; E500-R503 HydrophobicContact CB-CB 4.18Å; E500-R503 PolarHBondContact O-N 3Å; E500-R503 VanDerWaalsContact O-N 3.14Å; E500-R503 IonicContact OE1-CZ 3.7Å; E500-R503 IonicContact OE1-NH1 2.72Å; E500-R503 PolarHBondContact OE1-NH1 2.94Å; E500-R503 IonicContact OE1-NH2 2.81Å; E500-R503 IonicContact OE2-CZ 2.8Å; E500-R503 IonicContact OE2-NE 3.67Å; E500-R503 IonicContact OE2-NH1 3.53Å; E500-R503 PolarHBondContact OE2-NH1 2.95Å; E500-R503 IonicContact OE2-NH2 3.27Å; E500-R503 PolarHBondContact OE2-NH2 3.28Å; E500-A504 PolarHBondContact O-N 2.66Å
501	T	86.7	Confident	88.7	Confident	35 Å²	35	44 Å²	44	22%	0.215	24%	0.24	C	C	.	.	H	α-helix	trans	-58.2	-42.6	-175.2	58.4	0	0	0	0	112.6	G499 R503 A504 R505 Q534	G499-T501 VanDerWaalsContact C-N 3.29Å; G499-T501 PolarHBondContact O-N 2.98Å; T501-R503 VanDerWaalsContact C-N 3.32Å; T501-R503 PolarHBondContact O-N 2.82Å; T501-A504 PolarHBondContact O-N 3.24Å; T501-R505 WeakPolarHBondContact O-CD 3.4Å; T501-R505 WeakPolarHBondContact O-CG 3.49Å; T501-R505 PolarHBondContact O-N 2.85Å; T501-Q534 HydrophobicContact CG2-CG 4.29Å
502	D	89	Confident	88.3	Confident	116 Å²	116	43.8 Å²	43.8	62%	0.62	24%	0.24	S	C	*	.	H	α-helix	trans	-65.3	-34.2	179.3	-69	-29.5	0	0	0	112.8	E500 R505 G506	E500-D502 VanDerWaalsContact C-N 3.34Å; E500-D502 PolarHBondContact O-N 3.15Å; D502-R505 IonicContact OD1-NH1 2.72Å; D502-R505 PolarHBondContact OD1-NH1 3.03Å; D502-G506 PolarHBondContact O-N 2.84Å
503	R	88.3	Confident	88.1	Confident	94 Å²	94	49.3 Å²	49.3	36%	0.355	27%	0.269	S	S	.	.	H	α-helix	trans	-72.4	-43.5	175.4	-169.3	180	-72.6	127.5	8.5	110.8	E495 E500 T501 R505 G506 I507	E495-R503 HydrophobicContact CG-CB 4.45Å; E495-R503 HydrophobicContact CG-CG 4.12Å; E495-R503 IonicContact OE1-NH1 3.75Å; E495-R503 WeakPolarHBondContact OE2-CD 3.47Å; E495-R503 IonicContact OE2-CZ 2.74Å; E495-R503 IonicContact OE2-NH1 3.81Å; E495-R503 PolarHBondContact OE2-NH1 3.22Å; E500-R503 HydrophobicContact CB-CB 4.18Å; E500-R503 PolarHBondContact O-N 3Å; E500-R503 VanDerWaalsContact O-N 3.14Å; E500-R503 IonicContact OE1-CZ 3.7Å; E500-R503 IonicContact OE1-NH1 2.72Å; E500-R503 PolarHBondContact OE1-NH1 2.94Å; E500-R503 IonicContact OE1-NH2 2.81Å; E500-R503 IonicContact OE2-CZ 2.8Å; E500-R503 IonicContact OE2-NE 3.67Å; E500-R503 IonicContact OE2-NH1 3.53Å; E500-R503 PolarHBondContact OE2-NH1 2.95Å; E500-R503 IonicContact OE2-NH2 3.27Å; E500-R503 PolarHBondContact OE2-NH2 3.28Å; T501-R503 VanDerWaalsContact C-N 3.32Å; T501-R503 PolarHBondContact O-N 2.82Å; R503-R505 VanDerWaalsContact C-N 3.29Å; R503-R505 PolarHBondContact O-N 3.39Å; R503-G506 PolarHBondContact O-N 2.81Å; R503-G506 VanDerWaalsContact O-N 3.14Å; R503-I507 HydrophobicContact CG-CD1 4.08Å; R503-I507 HydrophobicContact CG-CG1 4.5Å; R503-I507 VanDerWaalsContact O-CG1 3.3Å; R503-I507 WeakPolarHBondContact O-CG1 3.23Å; R503-I507 PolarHBondContact O-N 3.11Å
504	A	89.9	Confident	87.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-56.2	-45.3	175.3	0	0	0	0	0	111.4	E495 E500 T501 G506 I507 Y508 F530	E495-A504 HydrophobicContact CB-CB 4.11Å; E500-A504 PolarHBondContact O-N 2.66Å; T501-A504 PolarHBondContact O-N 3.24Å; A504-G506 PolarHBondContact O-N 2.82Å; A504-I507 WeakPolarHBondContact O-CB 3.3Å; A504-I507 PolarHBondContact O-N 2.93Å; A504-Y508 WeakPolarHBondContact O-CD2 3.35Å; A504-Y508 PolarHBondContact O-N 3.39Å; A504-F530 HydrophobicContact CB-CE1 4.37Å; A504-F530 HydrophobicContact CB-CE2 3.73Å; A504-F530 HydrophobicContact CB-CZ 3.62Å
505	R	90.7	Very high	87	Confident	31 Å²	31	59.5 Å²	59.5	12%	0.117	31%	0.31	C	S	.	.	H	α-helix	trans	-59.6	-46.3	173.6	-69.7	167.7	168.6	151.1	1.4	112.8	T501 D502 R503 I507 Y508 E509 F530 E531 D536	T501-R505 WeakPolarHBondContact O-CD 3.4Å; T501-R505 WeakPolarHBondContact O-CG 3.49Å; T501-R505 PolarHBondContact O-N 2.85Å; D502-R505 IonicContact OD1-NH1 2.72Å; D502-R505 PolarHBondContact OD1-NH1 3.03Å; R503-R505 VanDerWaalsContact C-N 3.29Å; R503-R505 PolarHBondContact O-N 3.39Å; R505-I507 VanDerWaalsContact C-N 3.27Å; R505-I507 PolarHBondContact O-N 3.17Å; R505-Y508 PolarHBondContact O-N 2.91Å; R505-E509 PolarHBondContact O-N 3.09Å; R505-F530 HydrophobicContact CG-CE1 3.59Å; R505-F530 HydrophobicContact CG-CZ 4.27Å; R505-E531 WeakPolarHBondContact CD-OE1 3.39Å; R505-E531 VanDerWaalsContact CG-OE1 3.3Å; R505-E531 WeakPolarHBondContact CG-OE1 3.34Å; R505-E531 IonicContact CZ-OE1 2.89Å; R505-E531 IonicContact CZ-OE2 3.56Å; R505-E531 IonicContact NE-OE1 3.65Å; R505-E531 PolarHBondContact NE-OE1 3.36Å; R505-E531 IonicContact NE-OE2 3.88Å; R505-E531 PolarHBondContact NE-OE2 3.44Å; R505-E531 IonicContact NH2-OE1 2.61Å; R505-E531 IonicContact NH2-OE2 2.97Å; R505-E531 PolarHBondContact NH2-OE2 3.43Å; R505-D536 IonicContact NH2-OD2 3.17Å
506	G	89.6	Confident	86.1	Confident	32 Å²	32	65.4 Å²	65.4	33%	0.33	34%	0.341	S	S	.	.	H	α-helix	trans	-56.9	-41.4	175.2	0	0	0	0	0	112.3	D502 R503 A504 L510	D502-G506 PolarHBondContact O-N 2.84Å; R503-G506 PolarHBondContact O-N 2.81Å; R503-G506 VanDerWaalsContact O-N 3.14Å; A504-G506 PolarHBondContact O-N 2.82Å; G506-L510 WeakPolarHBondContact O-CB 3.3Å; G506-L510 WeakPolarHBondContact O-CG 3.5Å; G506-L510 PolarHBondContact O-N 3.24Å
507	I	89.9	Confident	85.4	Confident	7 Å²	7	65.7 Å²	65.7	4%	0.036	34%	0.34	C	S	.	.	H	α-helix	trans	-65.4	-46.1	177.2	-66	161.1	0	0	0	110.9	W488 Y491 A492 E495 R503 A504 R505 L510 A511	W488-I507 HydrophobicContact CE3-CG2 3.82Å; W488-I507 HydrophobicContact CZ3-CG2 4.26Å; Y491-I507 HydrophobicContact CD1-CD1 3.53Å; Y491-I507 HydrophobicContact CD1-CG1 3.86Å; Y491-I507 HydrophobicContact CD1-CG2 3.82Å; Y491-I507 HydrophobicContact CD2-CD1 4.02Å; Y491-I507 HydrophobicContact CE1-CD1 3.48Å; Y491-I507 VanDerWaalsContact CE1-CD1 3.48Å; Y491-I507 HydrophobicContact CE1-CG1 3.76Å; Y491-I507 HydrophobicContact CE2-CD1 3.95Å; Y491-I507 HydrophobicContact CG-CD1 3.82Å; Y491-I507 HydrophobicContact CG-CG2 4.37Å; A492-I507 HydrophobicContact CB-CB 4.38Å; A492-I507 HydrophobicContact CB-CG2 4.04Å; E495-I507 HydrophobicContact CB-CD1 4.34Å; E495-I507 HydrophobicContact CG-CD1 3.65Å; R503-I507 HydrophobicContact CG-CD1 4.08Å; R503-I507 HydrophobicContact CG-CG1 4.5Å; R503-I507 VanDerWaalsContact O-CG1 3.3Å; R503-I507 WeakPolarHBondContact O-CG1 3.23Å; R503-I507 PolarHBondContact O-N 3.11Å; A504-I507 WeakPolarHBondContact O-CB 3.3Å; A504-I507 PolarHBondContact O-N 2.93Å; R505-I507 VanDerWaalsContact C-N 3.27Å; R505-I507 PolarHBondContact O-N 3.17Å; I507-L510 PolarHBondContact O-N 3.15Å; I507-A511 WeakPolarHBondContact O-CB 3.3Å; I507-A511 PolarHBondContact O-N 3.46Å
508	Y	89.3	Confident	84.6	Confident	7 Å²	7	63.7 Å²	63.7	3%	0.027	33%	0.33	C	S	.	.	H	α-helix	trans	-63.4	-43.5	177.2	-76.4	-61.1	0	0	0	112.8	A492 A504 R505 L510 A511 I512 L523 A526 Y527 F530	A492-Y508 HydrophobicContact CB-CD1 4.18Å; A492-Y508 HydrophobicContact CB-CD2 3.85Å; A492-Y508 HydrophobicContact CB-CE1 3.74Å; A492-Y508 HydrophobicContact CB-CE2 3.38Å; A492-Y508 HydrophobicContact CB-CG 4.22Å; A504-Y508 WeakPolarHBondContact O-CD2 3.35Å; A504-Y508 PolarHBondContact O-N 3.39Å; R505-Y508 PolarHBondContact O-N 2.91Å; Y508-L510 PolarHBondContact O-N 2.93Å; Y508-A511 WeakPolarHBondContact O-CB 3.42Å; Y508-A511 PolarHBondContact O-N 3.18Å; Y508-I512 WeakPolarHBondContact O-CG1 3.26Å; Y508-I512 PolarHBondContact O-N 2.98Å; Y508-L523 HydrophobicContact CD1-CD1 4.01Å; Y508-L523 HydrophobicContact CE1-CD1 4.25Å; Y508-A526 HydrophobicContact CE1-CB 4.13Å; Y508-Y527 HydrophobicContact CD1-CD2 4.22Å; Y508-Y527 HydrophobicContact CD1-CG 4.13Å; Y508-Y527 AromaticContact CD2-CD2 3.4Å; Y508-Y527 HydrophobicContact CD2-CD2 3.4Å; Y508-Y527 VanDerWaalsContact CD2-CD2 3.4Å; Y508-Y527 AromaticContact CD2-CE2 3.96Å; Y508-Y527 HydrophobicContact CD2-CE2 3.96Å; Y508-Y527 HydrophobicContact CD2-CG 4.14Å; Y508-Y527 HydrophobicContact CE2-CD2 4.18Å; Y508-Y527 AromaticContact CG-CD2 3.43Å; Y508-Y527 HydrophobicContact CG-CD2 3.43Å; Y508-Y527 VanDerWaalsContact CG-CD2 3.43Å; Y508-Y527 HydrophobicContact CG-CE2 4.07Å; Y508-Y527 AromaticContact CG-CG 3.72Å; Y508-Y527 HydrophobicContact CG-CG 3.72Å; Y508-F530 HydrophobicContact CD2-CD1 4.18Å; Y508-F530 HydrophobicContact CD2-CG 4.32Å; Y508-F530 HydrophobicContact CE2-CB 3.76Å; Y508-F530 AromaticContact CE2-CD1 3.98Å; Y508-F530 HydrophobicContact CE2-CD1 3.98Å; Y508-F530 HydrophobicContact CE2-CD2 4.14Å; Y508-F530 AromaticContact CE2-CG 3.67Å; Y508-F530 HydrophobicContact CE2-CG 3.67Å
509	E	89	Confident	84.2	Confident	51 Å²	51	66.8 Å²	66.8	24%	0.238	35%	0.345	C	S	.	.	H	α-helix	trans	-63.2	-41.7	175.8	-74.4	-62.7	160.4	0	0	111.9	R505 A511 I512 N513 Y527 R546	R505-E509 PolarHBondContact O-N 3.09Å; E509-A511 VanDerWaalsContact C-N 3.29Å; E509-A511 PolarHBondContact O-N 2.8Å; E509-I512 PolarHBondContact O-N 3.41Å; E509-N513 WeakPolarHBondContact O-CB 3.38Å; E509-N513 PolarHBondContact O-N 3.03Å; E509-N513 VanDerWaalsContact O-N 3.1Å; E509-N513 PolarHBondContact O-ND2 2.8Å; E509-Y527 WeakPolarHBondContact CG-OH 3.33Å; E509-Y527 WeakPolarHBondContact OE1-CE1 3.44Å; E509-Y527 PolarHBondContact OE1-OH 3.07Å; E509-R546 IonicContact OE1-CZ 3.9Å; E509-R546 IonicContact OE1-NH1 3.3Å; E509-R546 PolarHBondContact OE1-NH1 3.16Å; E509-R546 IonicContact OE1-NH2 3.36Å; E509-R546 IonicContact OE2-CZ 3.51Å; E509-R546 IonicContact OE2-NH1 2.84Å; E509-R546 PolarHBondContact OE2-NH1 2.9Å; E509-R546 IonicContact OE2-NH2 3.71Å; E509-R546 PolarHBondContact OE2-NH2 2.91Å
510	L	87.6	Confident	84.1	Confident	112 Å²	112	66.3 Å²	66.3	59%	0.586	33%	0.332	S	S	*	.	H	α-helix	trans	-61.8	-39.8	174.6	-76.1	172.8	0	0	0	111.7	W488 G506 I507 Y508	W488-L510 HydrophobicContact CZ3-CB 4.21Å; G506-L510 WeakPolarHBondContact O-CB 3.3Å; G506-L510 WeakPolarHBondContact O-CG 3.5Å; G506-L510 PolarHBondContact O-N 3.24Å; I507-L510 PolarHBondContact O-N 3.15Å; Y508-L510 PolarHBondContact O-N 2.93Å
511	A	86.3	Confident	83.7	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-65	-51.5	177.9	0	0	0	0	0	110.9	W488 I507 Y508 E509 N513 R514 L517 L523	W488-A511 HydrophobicContact CB-CB 4.07Å; W488-A511 HydrophobicContact CD2-CB 3.6Å; W488-A511 HydrophobicContact CE3-CB 3.61Å; W488-A511 HydrophobicContact CG-CB 3.81Å; W488-A511 HydrophobicContact CZ3-CB 4.28Å; I507-A511 WeakPolarHBondContact O-CB 3.3Å; I507-A511 PolarHBondContact O-N 3.46Å; Y508-A511 WeakPolarHBondContact O-CB 3.42Å; Y508-A511 PolarHBondContact O-N 3.18Å; E509-A511 VanDerWaalsContact C-N 3.29Å; E509-A511 PolarHBondContact O-N 2.8Å; A511-N513 VanDerWaalsContact C-N 3.29Å; A511-N513 PolarHBondContact O-N 3.09Å; A511-R514 WeakPolarHBondContact O-CB 3.27Å; A511-R514 PolarHBondContact O-N 3.06Å; A511-L517 WeakPolarHBondContact O-CD1 3.38Å; A511-L523 HydrophobicContact CB-CD1 3.97Å; A511-L523 HydrophobicContact CB-CD2 3.48Å; A511-L523 VanDerWaalsContact CB-CD2 3.48Å; A511-L523 HydrophobicContact CB-CG 4.28Å
512	I	84.2	Confident	83.6	Confident	9 Å²	9	72.8 Å²	72.8	5%	0.046	36%	0.362	C	S	.	.	H	α-helix	trans	-63	-33	-177.4	-72.8	168.1	0	0	0	113.1	Y508 E509 R514 L523 W524 Y527	Y508-I512 WeakPolarHBondContact O-CG1 3.26Å; Y508-I512 PolarHBondContact O-N 2.98Å; E509-I512 PolarHBondContact O-N 3.41Å; I512-R514 PolarHBondContact O-N 2.99Å; I512-L523 HydrophobicContact CG1-CD2 4.05Å; I512-W524 HydrophobicContact CB-CZ2 4.45Å; I512-W524 HydrophobicContact CD1-CD2 4.13Å; I512-W524 HydrophobicContact CD1-CE3 3.92Å; I512-W524 HydrophobicContact CD1-CH2 4.08Å; I512-W524 HydrophobicContact CD1-CZ2 4.28Å; I512-W524 HydrophobicContact CD1-CZ3 3.9Å; I512-W524 HydrophobicContact CG1-CD2 4.44Å; I512-W524 HydrophobicContact CG1-CZ2 4.29Å; I512-W524 HydrophobicContact CG2-CH2 3.61Å; I512-W524 HydrophobicContact CG2-CZ2 3.35Å; I512-W524 HydrophobicContact CG2-CZ3 4.48Å; I512-Y527 HydrophobicContact CD1-CD1 3.27Å; I512-Y527 HydrophobicContact CD1-CE1 3.77Å; I512-Y527 HydrophobicContact CD1-CG 4.25Å
513	N	84.7	Confident	83.5	Confident	115 Å²	115	67.2 Å²	67.2	62%	0.615	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-10.9	178.1	-74	-36.4	0	0	0	113.2	E509 A511	E509-N513 WeakPolarHBondContact O-CB 3.38Å; E509-N513 PolarHBondContact O-N 3.03Å; E509-N513 VanDerWaalsContact O-N 3.1Å; E509-N513 PolarHBondContact O-ND2 2.8Å; A511-N513 VanDerWaalsContact C-N 3.29Å; A511-N513 PolarHBondContact O-N 3.09Å
514	R	82.5	Confident	83.5	Confident	93 Å²	93	63.4 Å²	63.4	35%	0.351	32%	0.318	S	S	.	.			trans	-72.7	137	173	-68.2	-172.4	174.6	-115	10.9	111.2	A511 I512 L517	A511-R514 WeakPolarHBondContact O-CB 3.27Å; A511-R514 PolarHBondContact O-N 3.06Å; I512-R514 PolarHBondContact O-N 2.99Å; R514-L517 HydrophobicContact CB-CD2 4.35Å; R514-L517 HydrophobicContact CB-CG 4.2Å
515	K	72.5	Confident	83.4	Confident	196 Å²	196	69.7 Å²	69.7	85%	0.852	35%	0.345	S	S	*	.	S	Bend	trans	-75.8	-32.3	-177	-67.3	-176.2	178.6	-179.4	0	113.1
516	L	71.9	Confident	83.2	Confident	124 Å²	124	68.9 Å²	68.9	65%	0.649	35%	0.345	S	S	*	.			trans	-119.2	123.9	-179.5	-62.2	168.8	0	0	0	106.8	E483	E483-L516 WeakPolarHBondContact OE2-CB 3.36Å
517	L	74.2	Confident	83.2	Confident	27 Å²	27	67.8 Å²	67.8	14%	0.141	33%	0.331	C	S	.	.			trans	-148.3	139.6	-179.8	-80.9	172.6	0	0	0	107.1	A511 R514 P520 L523	A511-L517 WeakPolarHBondContact O-CD1 3.38Å; R514-L517 HydrophobicContact CB-CD2 4.35Å; R514-L517 HydrophobicContact CB-CG 4.2Å; L517-P520 HydrophobicContact CB-CB 4.36Å; L517-L523 HydrophobicContact CD1-CD2 3.64Å
518	D	70.1	Confident	83.1	Confident	110 Å²	110	67.6 Å²	67.6	59%	0.588	33%	0.33	S	S	*	.	B	Isolated β-bridge	trans	-85.2	113.8	178.9	-142	3.5	0	0	0	109.4	E483 C485	E483-D518 WeakPolarHBondContact O-CB 3.26Å; E483-D518 PolarHBondContact O-N 2.93Å; C485-D518 VanDerWaalsContact CB-O 3.29Å; C485-D518 WeakPolarHBondContact CB-O 3.36Å; C485-D518 PolarHBondContact SG-O 3.46Å
519	M	78.5	Confident	83.1	Confident	120 Å²	120	70.3 Å²	70.3	59%	0.591	35%	0.345	S	S	*	.	S	Bend	trans	54.3	70.3	-171.9	-59.2	-169.2	-70.4	0	0	114.6	E521 L522	M519-E521 PolarHBondContact O-N 3.31Å; M519-E521 VanDerWaalsContact O-N 3.17Å; M519-L522 HydrophobicContact CB-CD1 4.06Å; M519-L522 HydrophobicContact CB-CG 4.44Å; M519-L522 HydrophobicContact CE-CD1 3.72Å; M519-L522 PolarHBondContact O-N 3.39Å; M519-L522 HydrophobicContact SD-CD1 4.18Å
520	P	82.4	Confident	83.1	Confident	45 Å²	45	68 Å²	68	29%	0.292	33%	0.334	S	S	.	.	H	α-helix	trans	-63.5	-23.9	-177.1	25.9	-34.5	0	0	0	113.8	L517 L522 L523 W524	L517-P520 HydrophobicContact CB-CB 4.36Å; P520-L522 VanDerWaalsContact C-N 3.26Å; P520-L522 PolarHBondContact O-N 3.16Å; P520-L523 PolarHBondContact O-N 3.22Å; P520-W524 VanDerWaalsContact O-CD1 3.24Å; P520-W524 PolarHBondContact O-N 3.36Å; P520-W524 VanDerWaalsContact O-N 3.11Å
521	E	80.7	Confident	83.2	Confident	163 Å²	163	62.7 Å²	62.7	76%	0.762	31%	0.306	S	S	*	.	H	α-helix	trans	-57.9	-38.6	-179.9	-60.4	-178.3	-178.4	0	0	112.6	M519 W524 K525	M519-E521 PolarHBondContact O-N 3.31Å; M519-E521 VanDerWaalsContact O-N 3.17Å; E521-W524 PolarHBondContact O-N 3.02Å; E521-K525 WeakPolarHBondContact O-CB 3.38Å; E521-K525 PolarHBondContact O-N 3Å
522	L	84.4	Confident	83.2	Confident	76 Å²	76	65 Å²	65	40%	0.398	32%	0.318	S	S	.	.	H	α-helix	trans	-65.7	-40.1	179.1	-65.8	174.4	0	0	0	111.5	M489 M519 P520 A526	M489-L522 HydrophobicContact SD-CB 4.01Å; M519-L522 HydrophobicContact CB-CD1 4.06Å; M519-L522 HydrophobicContact CB-CG 4.44Å; M519-L522 HydrophobicContact CE-CD1 3.72Å; M519-L522 PolarHBondContact O-N 3.39Å; M519-L522 HydrophobicContact SD-CD1 4.18Å; P520-L522 VanDerWaalsContact C-N 3.26Å; P520-L522 PolarHBondContact O-N 3.16Å; L522-A526 WeakPolarHBondContact O-CB 3.32Å; L522-A526 PolarHBondContact O-N 3.48Å
523	L	86.9	Confident	83.3	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-68.5	-42.8	179.4	-176.9	72.6	0	0	0	111.6	W488 M489 Y508 A511 I512 L517 P520 A526 Y527	W488-L523 HydrophobicContact CB-CD1 3.96Å; M489-L523 HydrophobicContact CG-CD1 4.18Å; Y508-L523 HydrophobicContact CD1-CD1 4.01Å; Y508-L523 HydrophobicContact CE1-CD1 4.25Å; A511-L523 HydrophobicContact CB-CD1 3.97Å; A511-L523 HydrophobicContact CB-CD2 3.48Å; A511-L523 VanDerWaalsContact CB-CD2 3.48Å; A511-L523 HydrophobicContact CB-CG 4.28Å; I512-L523 HydrophobicContact CG1-CD2 4.05Å; L517-L523 HydrophobicContact CD1-CD2 3.64Å; P520-L523 PolarHBondContact O-N 3.22Å; L523-A526 PolarHBondContact O-N 3.15Å; L523-Y527 PolarHBondContact O-N 3.31Å
524	W	88.3	Confident	83.3	Confident	13 Å²	13	68.1 Å²	68.1	5%	0.049	33%	0.329	C	S	.	.	H	α-helix	trans	-62.6	-45.2	176.3	-81.9	104.5	0	0	0	112	I512 P520 E521 Y527 I528 R546 L547	I512-W524 HydrophobicContact CB-CZ2 4.45Å; I512-W524 HydrophobicContact CD1-CD2 4.13Å; I512-W524 HydrophobicContact CD1-CE3 3.92Å; I512-W524 HydrophobicContact CD1-CH2 4.08Å; I512-W524 HydrophobicContact CD1-CZ2 4.28Å; I512-W524 HydrophobicContact CD1-CZ3 3.9Å; I512-W524 HydrophobicContact CG1-CD2 4.44Å; I512-W524 HydrophobicContact CG1-CZ2 4.29Å; I512-W524 HydrophobicContact CG2-CH2 3.61Å; I512-W524 HydrophobicContact CG2-CZ2 3.35Å; I512-W524 HydrophobicContact CG2-CZ3 4.48Å; P520-W524 VanDerWaalsContact O-CD1 3.24Å; P520-W524 PolarHBondContact O-N 3.36Å; P520-W524 VanDerWaalsContact O-N 3.11Å; E521-W524 PolarHBondContact O-N 3.02Å; W524-Y527 PolarHBondContact O-N 3.42Å; W524-I528 VanDerWaalsContact O-CG1 3.29Å; W524-I528 WeakPolarHBondContact O-CG1 3.46Å; W524-I528 PolarHBondContact O-N 3.28Å; W524-R546 HydrophobicContact CH2-CB 4.16Å; W524-R546 HydrophobicContact CZ3-CB 4.31Å; W524-L547 HydrophobicContact CB-CD1 4.19Å; W524-L547 HydrophobicContact CB-CD2 4.25Å; W524-L547 HydrophobicContact CD2-CD1 3.77Å; W524-L547 HydrophobicContact CE3-CB 4.13Å; W524-L547 HydrophobicContact CE3-CD1 4.23Å; W524-L547 HydrophobicContact CG-CD1 3.74Å; W524-L547 HydrophobicContact CZ3-CB 4.31Å
525	K	87.2	Confident	83.2	Confident	132 Å²	132	72 Å²	72	57%	0.574	35%	0.345	S	S	*	.	H	α-helix	trans	-59	-49.1	175.3	-173.7	-173.1	172.6	-171	0	110.7	E521 Y527 I528 D529	E521-K525 WeakPolarHBondContact O-CB 3.38Å; E521-K525 PolarHBondContact O-N 3Å; K525-Y527 VanDerWaalsContact C-N 3.3Å; K525-Y527 PolarHBondContact O-N 3.41Å; K525-I528 PolarHBondContact O-N 3.46Å; K525-D529 WeakPolarHBondContact CE-OD2 3.5Å; K525-D529 WeakPolarHBondContact CG-OD2 3.42Å; K525-D529 WeakPolarHBondContact O-CB 3.44Å; K525-D529 PolarHBondContact O-N 2.9Å
526	A	87.2	Confident	83.8	Confident	14 Å²	14	64.6 Å²	64.6	12%	0.116	32%	0.315	C	S	.	.	H	α-helix	trans	-60.6	-37.2	179.6	0	0	0	0	0	113.2	M489 Y508 L522 L523 F530	M489-A526 HydrophobicContact CE-CB 3.98Å; M489-A526 HydrophobicContact CG-CB 4.1Å; Y508-A526 HydrophobicContact CE1-CB 4.13Å; L522-A526 WeakPolarHBondContact O-CB 3.32Å; L522-A526 PolarHBondContact O-N 3.48Å; L523-A526 PolarHBondContact O-N 3.15Å; A526-F530 VanDerWaalsContact O-CB 3.27Å; A526-F530 WeakPolarHBondContact O-CB 3.49Å; A526-F530 PolarHBondContact O-N 3.47Å
527	Y	89.8	Confident	84.4	Confident	9 Å²	9	60.6 Å²	60.6	4%	0.035	29%	0.291	C	S	.	.	H	α-helix	trans	-71.4	-38.8	177.5	-173.1	-155.9	0	0	0	112.6	Y508 E509 I512 L523 W524 K525 F530 E531 L543	Y508-Y527 HydrophobicContact CD1-CD2 4.22Å; Y508-Y527 HydrophobicContact CD1-CG 4.13Å; Y508-Y527 AromaticContact CD2-CD2 3.4Å; Y508-Y527 HydrophobicContact CD2-CD2 3.4Å; Y508-Y527 VanDerWaalsContact CD2-CD2 3.4Å; Y508-Y527 AromaticContact CD2-CE2 3.96Å; Y508-Y527 HydrophobicContact CD2-CE2 3.96Å; Y508-Y527 HydrophobicContact CD2-CG 4.14Å; Y508-Y527 HydrophobicContact CE2-CD2 4.18Å; Y508-Y527 AromaticContact CG-CD2 3.43Å; Y508-Y527 HydrophobicContact CG-CD2 3.43Å; Y508-Y527 VanDerWaalsContact CG-CD2 3.43Å; Y508-Y527 HydrophobicContact CG-CE2 4.07Å; Y508-Y527 AromaticContact CG-CG 3.72Å; Y508-Y527 HydrophobicContact CG-CG 3.72Å; E509-Y527 WeakPolarHBondContact CG-OH 3.33Å; E509-Y527 WeakPolarHBondContact OE1-CE1 3.44Å; E509-Y527 PolarHBondContact OE1-OH 3.07Å; I512-Y527 HydrophobicContact CD1-CD1 3.27Å; I512-Y527 HydrophobicContact CD1-CE1 3.77Å; I512-Y527 HydrophobicContact CD1-CG 4.25Å; L523-Y527 PolarHBondContact O-N 3.31Å; W524-Y527 PolarHBondContact O-N 3.42Å; K525-Y527 VanDerWaalsContact C-N 3.3Å; K525-Y527 PolarHBondContact O-N 3.41Å; Y527-F530 HydrophobicContact CD2-CD1 4.25Å; Y527-F530 HydrophobicContact CE2-CD1 4.43Å; Y527-F530 PolarHBondContact O-N 3.27Å; Y527-E531 HydrophobicContact CD2-CG 4.38Å; Y527-E531 HydrophobicContact CE2-CG 4.11Å; Y527-E531 PolarHBondContact O-N 3.18Å; Y527-E531 VanDerWaalsContact O-N 3.09Å; Y527-L543 HydrophobicContact CD1-CD1 3.52Å; Y527-L543 HydrophobicContact CD1-CD2 3.63Å; Y527-L543 HydrophobicContact CD1-CG 4.2Å; Y527-L543 HydrophobicContact CD2-CD1 4.02Å; Y527-L543 HydrophobicContact CE1-CD1 3.58Å; Y527-L543 HydrophobicContact CE1-CD2 3.21Å; Y527-L543 HydrophobicContact CE1-CG 4.03Å; Y527-L543 HydrophobicContact CE2-CD1 3.99Å; Y527-L543 HydrophobicContact CG-CD1 3.8Å
528	I	88.1	Confident	84.9	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-65.6	-48.2	175.4	-70.7	167.5	0	0	0	110.2	W524 K525 F530 E531 I532 L543 Y544 L547	W524-I528 VanDerWaalsContact O-CG1 3.29Å; W524-I528 WeakPolarHBondContact O-CG1 3.46Å; W524-I528 PolarHBondContact O-N 3.28Å; K525-I528 PolarHBondContact O-N 3.46Å; I528-F530 VanDerWaalsContact C-N 3.26Å; I528-F530 PolarHBondContact O-N 2.96Å; I528-E531 PolarHBondContact O-N 3.09Å; I528-I532 HydrophobicContact CG2-CD1 3.75Å; I528-I532 HydrophobicContact CG2-CG1 4.44Å; I528-I532 VanDerWaalsContact O-CG1 3.27Å; I528-I532 WeakPolarHBondContact O-CG1 3.32Å; I528-I532 PolarHBondContact O-N 2.95Å; I528-L543 HydrophobicContact CG1-CB 4.04Å; I528-Y544 HydrophobicContact CD1-CD1 3.95Å; I528-Y544 HydrophobicContact CD1-CE1 3.89Å; I528-Y544 HydrophobicContact CD1-CG 4.35Å; I528-Y544 HydrophobicContact CG2-CD2 4.23Å; I528-Y544 HydrophobicContact CG2-CE1 4.13Å; I528-Y544 HydrophobicContact CG2-CE2 3.45Å; I528-Y544 VanDerWaalsContact CG2-CE2 3.45Å; I528-Y544 VanDerWaalsContact CG2-CZ 3.41Å; I528-Y544 WeakPolarHBondContact CG2-OH 3.37Å; I528-L547 HydrophobicContact CD1-CD2 3.9Å
529	D	88.8	Confident	85.6	Confident	63 Å²	63	66.4 Å²	66.4	34%	0.337	31%	0.309	S	S	.	.	H	α-helix	trans	-58.3	-40.6	176.8	-67.6	-14.2	0	0	0	110.3	K525 I532 E533	K525-D529 WeakPolarHBondContact CE-OD2 3.5Å; K525-D529 WeakPolarHBondContact CG-OD2 3.42Å; K525-D529 WeakPolarHBondContact O-CB 3.44Å; K525-D529 PolarHBondContact O-N 2.9Å; D529-I532 WeakPolarHBondContact O-CB 3.27Å; D529-I532 PolarHBondContact O-N 2.84Å; D529-E533 WeakPolarHBondContact O-CG 3.29Å; D529-E533 PolarHBondContact O-N 3.35Å
530	F	89.3	Confident	86	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.018	28%	0.281	C	S	.	.	H	α-helix	trans	-60.5	-46.3	174.4	169.6	-93.5	0	0	0	113.1	S496 A504 R505 Y508 A526 Y527 I528 I532 E533 Q534	S496-F530 WeakPolarHBondContact OG-CE2 3.37Å; A504-F530 HydrophobicContact CB-CE1 4.37Å; A504-F530 HydrophobicContact CB-CE2 3.73Å; A504-F530 HydrophobicContact CB-CZ 3.62Å; R505-F530 HydrophobicContact CG-CE1 3.59Å; R505-F530 HydrophobicContact CG-CZ 4.27Å; Y508-F530 HydrophobicContact CD2-CD1 4.18Å; Y508-F530 HydrophobicContact CD2-CG 4.32Å; Y508-F530 HydrophobicContact CE2-CB 3.76Å; Y508-F530 AromaticContact CE2-CD1 3.98Å; Y508-F530 HydrophobicContact CE2-CD1 3.98Å; Y508-F530 HydrophobicContact CE2-CD2 4.14Å; Y508-F530 AromaticContact CE2-CG 3.67Å; Y508-F530 HydrophobicContact CE2-CG 3.67Å; A526-F530 VanDerWaalsContact O-CB 3.27Å; A526-F530 WeakPolarHBondContact O-CB 3.49Å; A526-F530 PolarHBondContact O-N 3.47Å; Y527-F530 HydrophobicContact CD2-CD1 4.25Å; Y527-F530 HydrophobicContact CE2-CD1 4.43Å; Y527-F530 PolarHBondContact O-N 3.27Å; I528-F530 VanDerWaalsContact C-N 3.26Å; I528-F530 PolarHBondContact O-N 2.96Å; F530-I532 VanDerWaalsContact C-N 3.31Å; F530-I532 PolarHBondContact O-N 3.33Å; F530-E533 PolarHBondContact O-N 2.96Å; F530-Q534 HydrophobicContact CD2-CG 4.46Å; F530-Q534 HydrophobicContact CE1-CG 4.08Å; F530-Q534 HydrophobicContact CE2-CG 3.98Å; F530-Q534 HydrophobicContact CZ-CG 3.77Å; F530-Q534 WeakPolarHBondContact O-CG 3.48Å; F530-Q534 PolarHBondContact O-N 3.22Å
531	E	88.7	Confident	86.2	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-70.4	-28.8	177.8	-67.7	-66.7	179.4	0	0	112.4	R505 Y527 I528 Q534 Y535 D536 R539 A540 L543	R505-E531 WeakPolarHBondContact CD-OE1 3.39Å; R505-E531 VanDerWaalsContact CG-OE1 3.3Å; R505-E531 WeakPolarHBondContact CG-OE1 3.34Å; R505-E531 IonicContact CZ-OE1 2.89Å; R505-E531 IonicContact CZ-OE2 3.56Å; R505-E531 IonicContact NE-OE1 3.65Å; R505-E531 PolarHBondContact NE-OE1 3.36Å; R505-E531 IonicContact NE-OE2 3.88Å; R505-E531 PolarHBondContact NE-OE2 3.44Å; R505-E531 IonicContact NH2-OE1 2.61Å; R505-E531 IonicContact NH2-OE2 2.97Å; R505-E531 PolarHBondContact NH2-OE2 3.43Å; Y527-E531 HydrophobicContact CD2-CG 4.38Å; Y527-E531 HydrophobicContact CE2-CG 4.11Å; Y527-E531 PolarHBondContact O-N 3.18Å; Y527-E531 VanDerWaalsContact O-N 3.09Å; I528-E531 PolarHBondContact O-N 3.09Å; E531-Q534 PolarHBondContact O-N 2.96Å; E531-Y535 PolarHBondContact O-N 2.97Å; E531-D536 PolarHBondContact O-N 2.79Å; E531-D536 VanDerWaalsContact O-N 3.16Å; E531-R539 HydrophobicContact CG-CB 4.26Å; E531-A540 HydrophobicContact CB-CB 4.17Å; E531-L543 HydrophobicContact CB-CD1 4.45Å; E531-L543 HydrophobicContact CG-CD1 3.74Å
532	I	86.7	Confident	86.6	Confident	47 Å²	47	56.5 Å²	56.5	24%	0.241	26%	0.261	C	S	.	.	H	α-helix	trans	-63.8	-44.6	170.7	-68.9	167.3	0	0	0	110.3	I528 D529 F530 Q534 Y535 W537 A540 F563	I528-I532 HydrophobicContact CG2-CD1 3.75Å; I528-I532 HydrophobicContact CG2-CG1 4.44Å; I528-I532 VanDerWaalsContact O-CG1 3.27Å; I528-I532 WeakPolarHBondContact O-CG1 3.32Å; I528-I532 PolarHBondContact O-N 2.95Å; D529-I532 WeakPolarHBondContact O-CB 3.27Å; D529-I532 PolarHBondContact O-N 2.84Å; F530-I532 VanDerWaalsContact C-N 3.31Å; F530-I532 PolarHBondContact O-N 3.33Å; I532-Q534 VanDerWaalsContact C-N 3.29Å; I532-Q534 PolarHBondContact O-N 3.37Å; I532-Y535 PolarHBondContact O-N 2.98Å; I532-Y535 VanDerWaalsContact O-N 3.15Å; I532-W537 HydrophobicContact CG2-CZ3 4.31Å; I532-A540 HydrophobicContact CG1-CB 4.4Å; I532-F563 HydrophobicContact CD1-CD2 3.69Å; I532-F563 HydrophobicContact CD1-CE2 4.26Å; I532-F563 HydrophobicContact CG1-CD2 3.67Å; I532-F563 HydrophobicContact CG1-CE2 3.7Å
533	E	86.1	Confident	86.8	Confident	125 Å²	125	53 Å²	53	58%	0.584	24%	0.242	S	C	*	.	H	α-helix	trans	-64.2	-32	176.8	-74.7	174.6	-176.1	0	0	112.8	D529 F530 Y535	D529-E533 WeakPolarHBondContact O-CG 3.29Å; D529-E533 PolarHBondContact O-N 3.35Å; F530-E533 PolarHBondContact O-N 2.96Å; E533-Y535 VanDerWaalsContact C-N 3.27Å; E533-Y535 WeakPolarHBondContact O-CD2 3.22Å; E533-Y535 PolarHBondContact O-N 3.18Å
534	Q	84.9	Confident	86.9	Confident	66 Å²	66	53.5 Å²	53.5	31%	0.308	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	2.6	176.3	-61.6	-56.4	-41.8	0	0	113.8	T501 F530 E531 I532 D536	T501-Q534 HydrophobicContact CG2-CG 4.29Å; F530-Q534 HydrophobicContact CD2-CG 4.46Å; F530-Q534 HydrophobicContact CE1-CG 4.08Å; F530-Q534 HydrophobicContact CE2-CG 3.98Å; F530-Q534 HydrophobicContact CZ-CG 3.77Å; F530-Q534 WeakPolarHBondContact O-CG 3.48Å; F530-Q534 PolarHBondContact O-N 3.22Å; E531-Q534 PolarHBondContact O-N 2.96Å; I532-Q534 VanDerWaalsContact C-N 3.29Å; I532-Q534 PolarHBondContact O-N 3.37Å; Q534-D536 PolarHBondContact O-N 3.18Å
535	Y	81.5	Confident	86.9	Confident	173 Å²	173	58 Å²	58	68%	0.678	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	21.3	-178	-55.8	-83.4	0	0	0	114.8	E531 I532 E533 W537	E531-Y535 PolarHBondContact O-N 2.97Å; I532-Y535 PolarHBondContact O-N 2.98Å; I532-Y535 VanDerWaalsContact O-N 3.15Å; E533-Y535 VanDerWaalsContact C-N 3.27Å; E533-Y535 WeakPolarHBondContact O-CD2 3.22Å; E533-Y535 PolarHBondContact O-N 3.18Å; Y535-W537 AromaticContact CD1-CH2 3.75Å; Y535-W537 HydrophobicContact CD1-CH2 3.75Å; Y535-W537 AromaticContact CD1-CZ2 3.63Å; Y535-W537 HydrophobicContact CD1-CZ2 3.63Å; Y535-W537 HydrophobicContact CE1-CH2 4.45Å; Y535-W537 HydrophobicContact CG-CZ2 4.45Å; Y535-W537 PolarHBondContact O-N 3.28Å
536	D	84.8	Confident	87	Confident	42 Å²	42	55.8 Å²	55.8	23%	0.225	25%	0.249	C	C	.	.			trans	-91.4	80.1	176.7	-165.2	-29.9	0	0	0	110.4	R505 E531 Q534 E538 R539 A540	R505-D536 IonicContact NH2-OD2 3.17Å; E531-D536 PolarHBondContact O-N 2.79Å; E531-D536 VanDerWaalsContact O-N 3.16Å; Q534-D536 PolarHBondContact O-N 3.18Å; D536-E538 VanDerWaalsContact C-N 3.27Å; D536-E538 PolarHBondContact O-N 2.95Å; D536-R539 HydrophobicContact CB-CB 4.32Å; D536-R539 PolarHBondContact O-N 3.34Å; D536-R539 WeakPolarHBondContact OD1-CG 3.32Å; D536-R539 PolarHBondContact OD1-N 2.95Å; D536-R539 VanDerWaalsContact OD1-N 3.12Å; D536-R539 WeakPolarHBondContact OD2-CD 3.48Å; D536-R539 WeakPolarHBondContact OD2-CG 3.35Å; D536-R539 IonicContact OD2-CZ 2.8Å; D536-R539 IonicContact OD2-NE 2.72Å; D536-R539 PolarHBondContact OD2-NE 3.3Å; D536-A540 PolarHBondContact O-N 3.39Å
537	W	82.9	Confident	86.9	Confident	39 Å²	39	56 Å²	56	15%	0.148	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-33.3	-175.3	-47.2	125.4	0	0	0	113.3	I532 Y535 R541 F563 A567 N569	I532-W537 HydrophobicContact CG2-CZ3 4.31Å; Y535-W537 AromaticContact CD1-CH2 3.75Å; Y535-W537 HydrophobicContact CD1-CH2 3.75Å; Y535-W537 AromaticContact CD1-CZ2 3.63Å; Y535-W537 HydrophobicContact CD1-CZ2 3.63Å; Y535-W537 HydrophobicContact CE1-CH2 4.45Å; Y535-W537 HydrophobicContact CG-CZ2 4.45Å; Y535-W537 PolarHBondContact O-N 3.28Å; W537-R541 WeakPolarHBondContact O-CB 3.3Å; W537-R541 VanDerWaalsContact O-CG 3.24Å; W537-R541 WeakPolarHBondContact O-CG 3.41Å; W537-R541 PolarHBondContact O-N 3.14Å; W537-F563 HydrophobicContact CB-CZ 4.37Å; W537-F563 AromaticContact CE3-CE2 3.8Å; W537-F563 HydrophobicContact CE3-CE2 3.8Å; W537-F563 HydrophobicContact CE3-CZ 4.08Å; W537-F563 HydrophobicContact CZ3-CE2 4.26Å; W537-A567 HydrophobicContact CB-CB 4.5Å; W537-A567 HydrophobicContact CD2-CB 3.95Å; W537-A567 HydrophobicContact CE3-CB 3.85Å; W537-A567 HydrophobicContact CG-CB 4.25Å; W537-A567 HydrophobicContact CZ3-CB 4.38Å; W537-N569 VanDerWaalsContact CD1-OD1 3.27Å; W537-N569 PolarHBondContact NE1-OD1 3.35Å
538	E	84.7	Confident	86.7	Confident	151 Å²	151	56 Å²	56	71%	0.706	25%	0.249	S	C	*	.	H	α-helix	trans	-69.5	-42.7	-178.9	-65.7	-170.5	171.6	0	0	111.4	D536 R541 S542	D536-E538 VanDerWaalsContact C-N 3.27Å; D536-E538 PolarHBondContact O-N 2.95Å; E538-R541 PolarHBondContact O-N 3.03Å; E538-S542 PolarHBondContact O-N 3.39Å
539	R	85.5	Confident	86.6	Confident	108 Å²	108	62.8 Å²	62.8	41%	0.408	29%	0.286	S	S	.	.	H	α-helix	trans	-65.6	-45.6	174.8	-72	-172.7	-173.3	-170.1	1.4	111.4	E531 D536 R541 S542 L543	E531-R539 HydrophobicContact CG-CB 4.26Å; D536-R539 HydrophobicContact CB-CB 4.32Å; D536-R539 PolarHBondContact O-N 3.34Å; D536-R539 WeakPolarHBondContact OD1-CG 3.32Å; D536-R539 PolarHBondContact OD1-N 2.95Å; D536-R539 VanDerWaalsContact OD1-N 3.12Å; D536-R539 WeakPolarHBondContact OD2-CD 3.48Å; D536-R539 WeakPolarHBondContact OD2-CG 3.35Å; D536-R539 IonicContact OD2-CZ 2.8Å; D536-R539 IonicContact OD2-NE 2.72Å; D536-R539 PolarHBondContact OD2-NE 3.3Å; R539-R541 VanDerWaalsContact C-N 3.31Å; R539-R541 PolarHBondContact O-N 3.5Å; R539-S542 WeakPolarHBondContact O-CA 3.2Å; R539-S542 WeakPolarHBondContact O-CB 3.48Å; R539-S542 PolarHBondContact O-N 3.09Å; R539-S542 PolarHBondContact O-OG 2.99Å; R539-L543 WeakPolarHBondContact O-CG 3.38Å; R539-L543 PolarHBondContact O-N 2.64Å
540	A	87	Confident	86.3	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-55.9	-45.2	175.9	0	0	0	0	0	111.7	E531 I532 D536 S542 L543 Y544 F563	E531-A540 HydrophobicContact CB-CB 4.17Å; I532-A540 HydrophobicContact CG1-CB 4.4Å; D536-A540 PolarHBondContact O-N 3.39Å; A540-S542 VanDerWaalsContact C-N 3.35Å; A540-S542 PolarHBondContact O-N 3.36Å; A540-L543 PolarHBondContact O-N 3.23Å; A540-Y544 VanDerWaalsContact O-CD2 3.25Å; A540-Y544 WeakPolarHBondContact O-CD2 3.41Å; A540-Y544 PolarHBondContact O-N 3.19Å; A540-F563 HydrophobicContact CB-CD2 4.42Å; A540-F563 HydrophobicContact CB-CE1 4.41Å; A540-F563 HydrophobicContact CB-CE2 3.48Å; A540-F563 VanDerWaalsContact CB-CE2 3.48Å; A540-F563 HydrophobicContact CB-CZ 3.48Å; A540-F563 VanDerWaalsContact CB-CZ 3.48Å
541	R	87.3	Confident	86	Confident	64 Å²	64	68.8 Å²	68.8	24%	0.242	31%	0.31	C	S	.	.	H	α-helix	trans	-57.4	-45.4	172.6	-73.9	174.3	-179.2	127.1	7.9	112.2	W537 E538 R539 L543 Y544 R545 F563 E564	W537-R541 WeakPolarHBondContact O-CB 3.3Å; W537-R541 VanDerWaalsContact O-CG 3.24Å; W537-R541 WeakPolarHBondContact O-CG 3.41Å; W537-R541 PolarHBondContact O-N 3.14Å; E538-R541 PolarHBondContact O-N 3.03Å; R539-R541 VanDerWaalsContact C-N 3.31Å; R539-R541 PolarHBondContact O-N 3.5Å; R541-L543 VanDerWaalsContact C-N 3.3Å; R541-L543 PolarHBondContact O-N 2.85Å; R541-Y544 PolarHBondContact O-N 2.85Å; R541-R545 VanDerWaalsContact O-CG 3.29Å; R541-R545 WeakPolarHBondContact O-CG 3.43Å; R541-R545 PolarHBondContact O-N 2.88Å; R541-F563 HydrophobicContact CG-CE1 3.61Å; R541-F563 HydrophobicContact CG-CZ 4.25Å; R541-E564 WeakPolarHBondContact CD-OE1 3.36Å; R541-E564 WeakPolarHBondContact CG-OE1 3.44Å; R541-E564 IonicContact CZ-OE1 2.84Å; R541-E564 IonicContact CZ-OE2 3.1Å; R541-E564 IonicContact NE-OE1 3.33Å; R541-E564 PolarHBondContact NE-OE1 3.22Å; R541-E564 IonicContact NE-OE2 3.65Å; R541-E564 PolarHBondContact NE-OE2 3.3Å; R541-E564 IonicContact NH2-OE1 2.68Å; R541-E564 IonicContact NH2-OE2 3.5Å; R541-E564 PolarHBondContact NH2-OE2 3.46Å
542	S	89.4	Confident	85.6	Confident	56 Å²	56	74.4 Å²	74.4	39%	0.392	34%	0.336	S	S	.	.	H	α-helix	trans	-62.1	-38.4	179	85.1	0	0	0	0	112.1	E538 R539 A540 R545 R546	E538-S542 PolarHBondContact O-N 3.39Å; R539-S542 WeakPolarHBondContact O-CA 3.2Å; R539-S542 WeakPolarHBondContact O-CB 3.48Å; R539-S542 PolarHBondContact O-N 3.09Å; R539-S542 PolarHBondContact O-OG 2.99Å; A540-S542 VanDerWaalsContact C-N 3.35Å; A540-S542 PolarHBondContact O-N 3.36Å; S542-R545 PolarHBondContact O-N 3.18Å; S542-R546 WeakPolarHBondContact O-CG 3.36Å; S542-R546 PolarHBondContact O-N 3.46Å
543	L	88.2	Confident	85.6	Confident	2 Å²	2	75.4 Å²	75.4	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-68.7	-44.2	178.1	-68.3	178.1	0	0	0	111.6	Y527 I528 E531 R539 A540 R541 R545 R546 L547	Y527-L543 HydrophobicContact CD1-CD1 3.52Å; Y527-L543 HydrophobicContact CD1-CD2 3.63Å; Y527-L543 HydrophobicContact CD1-CG 4.2Å; Y527-L543 HydrophobicContact CD2-CD1 4.02Å; Y527-L543 HydrophobicContact CE1-CD1 3.58Å; Y527-L543 HydrophobicContact CE1-CD2 3.21Å; Y527-L543 HydrophobicContact CE1-CG 4.03Å; Y527-L543 HydrophobicContact CE2-CD1 3.99Å; Y527-L543 HydrophobicContact CG-CD1 3.8Å; I528-L543 HydrophobicContact CG1-CB 4.04Å; E531-L543 HydrophobicContact CB-CD1 4.45Å; E531-L543 HydrophobicContact CG-CD1 3.74Å; R539-L543 WeakPolarHBondContact O-CG 3.38Å; R539-L543 PolarHBondContact O-N 2.64Å; A540-L543 PolarHBondContact O-N 3.23Å; R541-L543 VanDerWaalsContact C-N 3.3Å; R541-L543 PolarHBondContact O-N 2.85Å; L543-R545 VanDerWaalsContact C-N 3.32Å; L543-R545 PolarHBondContact O-N 3.48Å; L543-R546 PolarHBondContact O-N 3.32Å; L543-L547 WeakPolarHBondContact O-CB 3.44Å; L543-L547 PolarHBondContact O-N 3.48Å
544	Y	87.9	Confident	85.5	Confident	11 Å²	11	69.6 Å²	69.6	4%	0.043	31%	0.313	C	S	.	.	H	α-helix	trans	-58.6	-43.5	172	-84.3	-67.1	0	0	0	112.1	I528 A540 R541 L547 L548 V556 S559 L560 F563	I528-Y544 HydrophobicContact CD1-CD1 3.95Å; I528-Y544 HydrophobicContact CD1-CE1 3.89Å; I528-Y544 HydrophobicContact CD1-CG 4.35Å; I528-Y544 HydrophobicContact CG2-CD2 4.23Å; I528-Y544 HydrophobicContact CG2-CE1 4.13Å; I528-Y544 HydrophobicContact CG2-CE2 3.45Å; I528-Y544 VanDerWaalsContact CG2-CE2 3.45Å; I528-Y544 VanDerWaalsContact CG2-CZ 3.41Å; I528-Y544 WeakPolarHBondContact CG2-OH 3.37Å; A540-Y544 VanDerWaalsContact O-CD2 3.25Å; A540-Y544 WeakPolarHBondContact O-CD2 3.41Å; A540-Y544 PolarHBondContact O-N 3.19Å; R541-Y544 PolarHBondContact O-N 2.85Å; Y544-L547 PolarHBondContact O-N 3.23Å; Y544-L548 WeakPolarHBondContact O-CB 3.25Å; Y544-L548 VanDerWaalsContact O-CG 3.31Å; Y544-L548 WeakPolarHBondContact O-CG 3.4Å; Y544-L548 PolarHBondContact O-N 2.93Å; Y544-V556 HydrophobicContact CD1-CG1 4.32Å; Y544-S559 WeakPolarHBondContact CE1-OG 3.38Å; Y544-S559 PolarHBondContact OH-O 2.88Å; Y544-L560 HydrophobicContact CD1-CB 3.86Å; Y544-L560 HydrophobicContact CD1-CD1 4.34Å; Y544-L560 HydrophobicContact CD2-CD1 3.72Å; Y544-L560 HydrophobicContact CE1-CB 4.19Å; Y544-L560 HydrophobicContact CE2-CD1 4.42Å; Y544-L560 HydrophobicContact CG-CB 4.08Å; Y544-L560 HydrophobicContact CG-CD1 3.67Å; Y544-L560 HydrophobicContact CG-CG 4.33Å; Y544-F563 HydrophobicContact CD2-CD1 4.11Å; Y544-F563 HydrophobicContact CD2-CG 4.16Å; Y544-F563 HydrophobicContact CE2-CB 3.62Å; Y544-F563 AromaticContact CE2-CD1 3.91Å; Y544-F563 HydrophobicContact CE2-CD1 3.91Å; Y544-F563 AromaticContact CE2-CD2 3.9Å; Y544-F563 HydrophobicContact CE2-CD2 3.9Å; Y544-F563 AromaticContact CE2-CG 3.5Å; Y544-F563 HydrophobicContact CE2-CG 3.5Å
545	R	88.7	Confident	85.5	Confident	109 Å²	109	73.8 Å²	73.8	41%	0.411	33%	0.33	S	S	.	.	H	α-helix	trans	-64.7	-39.3	176.7	-67.3	-68.6	-173.7	179	0.9	111.9	R541 S542 L543 L548 N549 E616	R541-R545 VanDerWaalsContact O-CG 3.29Å; R541-R545 WeakPolarHBondContact O-CG 3.43Å; R541-R545 PolarHBondContact O-N 2.88Å; S542-R545 PolarHBondContact O-N 3.18Å; L543-R545 VanDerWaalsContact C-N 3.32Å; L543-R545 PolarHBondContact O-N 3.48Å; R545-L548 PolarHBondContact O-N 3.39Å; R545-N549 VanDerWaalsContact O-CG 3.25Å; R545-N549 PolarHBondContact O-N 2.81Å; R545-N549 PolarHBondContact O-ND2 3.38Å; R545-E616 IonicContact CZ-OE2 2.81Å; R545-E616 IonicContact NH1-OE2 3.54Å; R545-E616 PolarHBondContact NH1-OE2 3.4Å; R545-E616 IonicContact NH2-OE1 3.52Å; R545-E616 IonicContact NH2-OE2 3.12Å; R545-E616 PolarHBondContact NH2-OE2 2.83Å
546	R	88.6	Confident	85.7	Confident	84 Å²	84	66.3 Å²	66.3	32%	0.317	30%	0.303	S	S	.	.	H	α-helix	trans	-63.1	-42.1	172.8	-75.8	169.3	66.7	-174	2.6	111.8	E509 W524 S542 L543 N549 R550	E509-R546 IonicContact OE1-CZ 3.9Å; E509-R546 IonicContact OE1-NH1 3.3Å; E509-R546 PolarHBondContact OE1-NH1 3.16Å; E509-R546 IonicContact OE1-NH2 3.36Å; E509-R546 IonicContact OE2-CZ 3.51Å; E509-R546 IonicContact OE2-NH1 2.84Å; E509-R546 PolarHBondContact OE2-NH1 2.9Å; E509-R546 IonicContact OE2-NH2 3.71Å; E509-R546 PolarHBondContact OE2-NH2 2.91Å; W524-R546 HydrophobicContact CH2-CB 4.16Å; W524-R546 HydrophobicContact CZ3-CB 4.31Å; S542-R546 WeakPolarHBondContact O-CG 3.36Å; S542-R546 PolarHBondContact O-N 3.46Å; L543-R546 PolarHBondContact O-N 3.32Å; R546-N549 PolarHBondContact O-N 3.07Å; R546-R550 PolarHBondContact O-N 3.32Å
547	L	86.9	Confident	86	Confident	19 Å²	19	65.1 Å²	65.1	10%	0.099	30%	0.295	C	S	.	.	H	α-helix	trans	-65.1	-44.5	177	-177.4	57.7	0	0	0	111	W524 I528 L543 Y544 N549 R550 T551 V556	W524-L547 HydrophobicContact CB-CD1 4.19Å; W524-L547 HydrophobicContact CB-CD2 4.25Å; W524-L547 HydrophobicContact CD2-CD1 3.77Å; W524-L547 HydrophobicContact CE3-CB 4.13Å; W524-L547 HydrophobicContact CE3-CD1 4.23Å; W524-L547 HydrophobicContact CG-CD1 3.74Å; W524-L547 HydrophobicContact CZ3-CB 4.31Å; I528-L547 HydrophobicContact CD1-CD2 3.9Å; L543-L547 WeakPolarHBondContact O-CB 3.44Å; L543-L547 PolarHBondContact O-N 3.48Å; Y544-L547 PolarHBondContact O-N 3.23Å; L547-N549 VanDerWaalsContact C-N 3.28Å; L547-N549 PolarHBondContact O-N 3.05Å; L547-R550 CarbonylContact O-C 3.55Å; L547-R550 WeakPolarHBondContact O-CA 3.19Å; L547-R550 WeakPolarHBondContact O-CB 3.39Å; L547-R550 PolarHBondContact O-N 2.93Å; L547-T551 PolarHBondContact O-N 3.2Å; L547-V556 HydrophobicContact CB-CG1 4.39Å; L547-V556 HydrophobicContact CD2-CB 4.47Å; L547-V556 HydrophobicContact CD2-CG1 3.66Å; L547-V556 HydrophobicContact CD2-CG2 3.93Å; L547-V556 HydrophobicContact CG-CG1 3.84Å; L547-V556 HydrophobicContact CG-CG2 4.18Å
548	L	85.5	Confident	86.2	Confident	10 Å²	10	65 Å²	65	5%	0.052	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-30.7	176.9	-75.4	173.1	0	0	0	113.7	Y544 R545 R550 T551 V556 W557 L560	Y544-L548 WeakPolarHBondContact O-CB 3.25Å; Y544-L548 VanDerWaalsContact O-CG 3.31Å; Y544-L548 WeakPolarHBondContact O-CG 3.4Å; Y544-L548 PolarHBondContact O-N 2.93Å; R545-L548 PolarHBondContact O-N 3.39Å; L548-R550 PolarHBondContact O-N 2.81Å; L548-T551 WeakPolarHBondContact CA-O 3.3Å; L548-V556 HydrophobicContact CD2-CB 4.01Å; L548-V556 HydrophobicContact CD2-CG1 3.59Å; L548-V556 HydrophobicContact CG-CG1 3.85Å; L548-W557 HydrophobicContact CD1-CD2 4.19Å; L548-W557 HydrophobicContact CD1-CE3 3.85Å; L548-W557 HydrophobicContact CD1-CH2 3.77Å; L548-W557 HydrophobicContact CD1-CZ2 4.09Å; L548-W557 HydrophobicContact CD1-CZ3 3.64Å; L548-W557 HydrophobicContact CD2-CD2 3.66Å; L548-W557 VanDerWaalsContact CD2-CE2 3.46Å; L548-W557 HydrophobicContact CD2-CE3 4.19Å; L548-W557 HydrophobicContact CD2-CG 4.02Å; L548-W557 HydrophobicContact CD2-CH2 4.38Å; L548-W557 HydrophobicContact CD2-CZ2 3.85Å; L548-W557 HydrophobicContact CG-CZ2 4.48Å; L548-L560 HydrophobicContact CD1-CD2 3.57Å
549	N	85.2	Confident	86.2	Confident	146 Å²	146	59.9 Å²	59.9	78%	0.781	28%	0.278	S	S	*	.	H	α-helix	trans	-67.3	-25.1	171.6	-71.4	-20.9	0	0	0	112.5	R545 R546 L547	R545-N549 VanDerWaalsContact O-CG 3.25Å; R545-N549 PolarHBondContact O-N 2.81Å; R545-N549 PolarHBondContact O-ND2 3.38Å; R546-N549 PolarHBondContact O-N 3.07Å; L547-N549 VanDerWaalsContact C-N 3.28Å; L547-N549 PolarHBondContact O-N 3.05Å
550	R	82.8	Confident	86.4	Confident	133 Å²	133	54.9 Å²	54.9	50%	0.502	26%	0.259	S	S	.	.	H	α-helix	trans	-93.4	-40.2	179.4	-168.3	172.4	179.2	168.3	-2.1	112.2	R546 L547 L548	R546-R550 PolarHBondContact O-N 3.32Å; L547-R550 CarbonylContact O-C 3.55Å; L547-R550 WeakPolarHBondContact O-CA 3.19Å; L547-R550 WeakPolarHBondContact O-CB 3.39Å; L547-R550 PolarHBondContact O-N 2.93Å; L548-R550 PolarHBondContact O-N 2.81Å
551	T	82.6	Confident	86.3	Confident	60 Å²	60	55 Å²	55	37%	0.368	26%	0.26	S	S	.	.			trans	-138.9	127	-179.6	60.7	0	0	0	0	110.8	L547 L548 H553	L547-T551 PolarHBondContact O-N 3.2Å; L548-T551 WeakPolarHBondContact CA-O 3.3Å; T551-H553 VanDerWaalsContact C-N 3.26Å; T551-H553 PolarHBondContact O-N 3.39Å
552	Q	81.2	Confident	86.3	Confident	117 Å²	117	55.9 Å²	55.9	55%	0.547	27%	0.269	S	S	.	.			trans	-93.5	29.2	177.3	-65.4	-172.9	-4	0	0	112.7
553	H	84.9	Confident	86.1	Confident	68 Å²	68	53.5 Å²	53.5	32%	0.315	25%	0.252	S	S	.	.			trans	-73.1	142	-172.9	-170.8	-90.2	0	0	0	111.9	T551 K555 V556 W557	T551-H553 VanDerWaalsContact C-N 3.26Å; T551-H553 PolarHBondContact O-N 3.39Å; H553-K555 VanDerWaalsContact C-N 3.3Å; H553-K555 PolarHBondContact ND1-N 3.03Å; H553-K555 PolarHBondContact O-N 3.4Å; H553-V556 HydrophobicContact CB-CG2 4.47Å; H553-V556 WeakPolarHBondContact O-CB 3.29Å; H553-V556 PolarHBondContact O-N 2.8Å; H553-W557 PolarHBondContact O-N 3.25Å
554	V	84.3	Confident	86	Confident	4 Å²	4	54 Å²	54	2%	0.024	25%	0.254	C	S	.	.	H	α-helix	trans	-55.9	-41.3	-175.5	-179.8	0	0	0	0	113.1	V556 W557 L558 L621 Q629 R632 L633	V554-V556 PolarHBondContact O-N 2.82Å; V554-V556 VanDerWaalsContact O-N 3.17Å; V554-W557 WeakPolarHBondContact O-CB 3.35Å; V554-W557 PolarHBondContact O-N 3.32Å; V554-L558 HydrophobicContact CG1-CD1 3.72Å; V554-L558 HydrophobicContact CG1-CG 3.84Å; V554-L558 WeakPolarHBondContact O-CG 3.4Å; V554-L558 PolarHBondContact O-N 3.27Å; V554-L621 HydrophobicContact CG2-CD1 3.68Å; V554-L621 HydrophobicContact CG2-CD2 4.28Å; V554-Q629 VanDerWaalsContact CG2-C 3.4Å; V554-Q629 HydrophobicContact CG2-CB 3.21Å; V554-Q629 HydrophobicContact CG2-CG 3.54Å; V554-Q629 WeakPolarHBondContact CG2-O 3.48Å; V554-R632 HydrophobicContact CG1-CB 4.27Å; V554-L633 HydrophobicContact CG1-CB 4.23Å
555	K	85.5	Confident	85.6	Confident	154 Å²	154	55 Å²	55	67%	0.67	26%	0.26	S	S	*	.	H	α-helix	trans	-58.5	-30	178.7	-69.5	176.7	-177.9	176.7	0	112.7	H553 S559	H553-K555 VanDerWaalsContact C-N 3.3Å; H553-K555 PolarHBondContact ND1-N 3.03Å; H553-K555 PolarHBondContact O-N 3.4Å; K555-S559 WeakPolarHBondContact O-CB 3.46Å; K555-S559 PolarHBondContact O-N 3Å; K555-S559 PolarHBondContact O-OG 3.39Å
556	V	86.8	Confident	85.1	Confident	16 Å²	16	54 Å²	54	10%	0.097	27%	0.269	C	S	.	.	H	α-helix	trans	-74.8	-41.8	176.1	-175.8	0	0	0	0	110.3	Y544 L547 L548 H553 V554 S559 L560	Y544-V556 HydrophobicContact CD1-CG1 4.32Å; L547-V556 HydrophobicContact CB-CG1 4.39Å; L547-V556 HydrophobicContact CD2-CB 4.47Å; L547-V556 HydrophobicContact CD2-CG1 3.66Å; L547-V556 HydrophobicContact CD2-CG2 3.93Å; L547-V556 HydrophobicContact CG-CG1 3.84Å; L547-V556 HydrophobicContact CG-CG2 4.18Å; L548-V556 HydrophobicContact CD2-CB 4.01Å; L548-V556 HydrophobicContact CD2-CG1 3.59Å; L548-V556 HydrophobicContact CG-CG1 3.85Å; H553-V556 HydrophobicContact CB-CG2 4.47Å; H553-V556 WeakPolarHBondContact O-CB 3.29Å; H553-V556 PolarHBondContact O-N 2.8Å; V554-V556 PolarHBondContact O-N 2.82Å; V554-V556 VanDerWaalsContact O-N 3.17Å; V556-S559 WeakPolarHBondContact CA-OG 3.29Å; V556-S559 PolarHBondContact O-N 3.37Å; V556-S559 PolarHBondContact O-OG 3.45Å; V556-L560 WeakPolarHBondContact O-CB 3.49Å; V556-L560 PolarHBondContact O-N 2.93Å
557	W	89.2	Confident	84.3	Confident	17 Å²	17	50.1 Å²	50.1	6%	0.064	26%	0.255	C	S	.	.	H	α-helix	trans	-63.1	-45.5	175.1	-73.9	111.7	0	0	0	112.7	L548 H553 V554 L560 A561 I613 E616 A617 A620 L633	L548-W557 HydrophobicContact CD1-CD2 4.19Å; L548-W557 HydrophobicContact CD1-CE3 3.85Å; L548-W557 HydrophobicContact CD1-CH2 3.77Å; L548-W557 HydrophobicContact CD1-CZ2 4.09Å; L548-W557 HydrophobicContact CD1-CZ3 3.64Å; L548-W557 HydrophobicContact CD2-CD2 3.66Å; L548-W557 VanDerWaalsContact CD2-CE2 3.46Å; L548-W557 HydrophobicContact CD2-CE3 4.19Å; L548-W557 HydrophobicContact CD2-CG 4.02Å; L548-W557 HydrophobicContact CD2-CH2 4.38Å; L548-W557 HydrophobicContact CD2-CZ2 3.85Å; L548-W557 HydrophobicContact CG-CZ2 4.48Å; H553-W557 PolarHBondContact O-N 3.25Å; V554-W557 WeakPolarHBondContact O-CB 3.35Å; V554-W557 PolarHBondContact O-N 3.32Å; W557-L560 PolarHBondContact O-N 2.93Å; W557-A561 WeakPolarHBondContact O-CB 3.39Å; W557-A561 PolarHBondContact O-N 3.04Å; W557-I613 HydrophobicContact CE3-CG2 3.82Å; W557-I613 HydrophobicContact CZ3-CG2 4.2Å; W557-E616 HydrophobicContact CH2-CB 4.22Å; W557-E616 HydrophobicContact CZ3-CB 4.09Å; W557-A617 HydrophobicContact CB-CB 3.83Å; W557-A617 HydrophobicContact CD2-CB 3.51Å; W557-A617 HydrophobicContact CE3-CB 3.65Å; W557-A617 HydrophobicContact CG-CB 3.62Å; W557-A617 HydrophobicContact CZ3-CB 4.35Å; W557-A620 HydrophobicContact CZ2-CB 4Å; W557-L633 HydrophobicContact CB-CD1 4.27Å
558	L	87.6	Confident	83.5	Confident	37 Å²	37	51 Å²	51	19%	0.194	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-42.4	176.9	-66.5	-179.7	0	0	0	111.4	V554 A561 N562 Y614 L633 A636	V554-L558 HydrophobicContact CG1-CD1 3.72Å; V554-L558 HydrophobicContact CG1-CG 3.84Å; V554-L558 WeakPolarHBondContact O-CG 3.4Å; V554-L558 PolarHBondContact O-N 3.27Å; L558-A561 PolarHBondContact O-N 3.29Å; L558-N562 WeakPolarHBondContact O-CB 3.19Å; L558-N562 VanDerWaalsContact O-CG 3.31Å; L558-N562 PolarHBondContact O-N 3.42Å; L558-Y614 HydrophobicContact CD2-CE1 3.83Å; L558-L633 HydrophobicContact CD2-CD1 4.02Å; L558-A636 HydrophobicContact CD1-CB 4.36Å; L558-A636 HydrophobicContact CD2-CB 3.44Å; L558-A636 VanDerWaalsContact CD2-CB 3.44Å
559	S	86.1	Confident	82.5	Confident	43 Å²	43	55 Å²	55	30%	0.301	28%	0.281	S	S	.	.	H	α-helix	trans	-67.8	-35.6	177.1	55.7	0	0	0	0	112.4	Y544 K555 V556 F563	Y544-S559 WeakPolarHBondContact CE1-OG 3.38Å; Y544-S559 PolarHBondContact OH-O 2.88Å; K555-S559 WeakPolarHBondContact O-CB 3.46Å; K555-S559 PolarHBondContact O-N 3Å; K555-S559 PolarHBondContact O-OG 3.39Å; V556-S559 WeakPolarHBondContact CA-OG 3.29Å; V556-S559 PolarHBondContact O-N 3.37Å; V556-S559 PolarHBondContact O-OG 3.45Å; S559-F563 WeakPolarHBondContact O-CB 3.32Å; S559-F563 PolarHBondContact O-N 3.48Å
560	L	88.3	Confident	81.5	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-65.8	-40.8	172	176.6	58.1	0	0	0	112.3	Y544 L548 V556 W557 F563 E564 I613	Y544-L560 HydrophobicContact CD1-CB 3.86Å; Y544-L560 HydrophobicContact CD1-CD1 4.34Å; Y544-L560 HydrophobicContact CD2-CD1 3.72Å; Y544-L560 HydrophobicContact CE1-CB 4.19Å; Y544-L560 HydrophobicContact CE2-CD1 4.42Å; Y544-L560 HydrophobicContact CG-CB 4.08Å; Y544-L560 HydrophobicContact CG-CD1 3.67Å; Y544-L560 HydrophobicContact CG-CG 4.33Å; L548-L560 HydrophobicContact CD1-CD2 3.57Å; V556-L560 WeakPolarHBondContact O-CB 3.49Å; V556-L560 PolarHBondContact O-N 2.93Å; W557-L560 PolarHBondContact O-N 2.93Å; L560-F563 HydrophobicContact CD1-CD1 4.05Å; L560-F563 PolarHBondContact O-N 2.86Å; L560-E564 PolarHBondContact O-N 3.12Å; L560-I613 HydrophobicContact CB-CG2 4.42Å; L560-I613 HydrophobicContact CD1-CD1 4.25Å; L560-I613 HydrophobicContact CD2-CD1 4.29Å; L560-I613 HydrophobicContact CD2-CG1 4.27Å; L560-I613 HydrophobicContact CD2-CG2 4.07Å; L560-I613 HydrophobicContact CG-CD1 3.78Å; L560-I613 HydrophobicContact CG-CG1 4.26Å; L560-I613 HydrophobicContact CG-CG2 4.06Å
561	A	86.2	Confident	80.7	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-65.1	-42.3	177.3	0	0	0	0	0	112	W557 L558 E564 L565 S610 I613 Y614	W557-A561 WeakPolarHBondContact O-CB 3.39Å; W557-A561 PolarHBondContact O-N 3.04Å; L558-A561 PolarHBondContact O-N 3.29Å; A561-E564 PolarHBondContact O-N 2.91Å; A561-L565 PolarHBondContact O-N 3.34Å; A561-S610 PolarHBondContact O-OG 3.04Å; A561-I613 HydrophobicContact CB-CG2 4.08Å; A561-Y614 HydrophobicContact CB-CD2 4.09Å; A561-Y614 HydrophobicContact CB-CE1 4.37Å; A561-Y614 HydrophobicContact CB-CE2 3.61Å
562	N	86	Confident	79.8	Confident	83 Å²	83	50.4 Å²	50.4	44%	0.444	26%	0.26	S	S	.	.	H	α-helix	trans	-67.7	-36.9	173.4	-70.6	-9.2	0	0	0	111.7	L558 L565 C566	L558-N562 WeakPolarHBondContact O-CB 3.19Å; L558-N562 VanDerWaalsContact O-CG 3.31Å; L558-N562 PolarHBondContact O-N 3.42Å; N562-L565 WeakPolarHBondContact O-CB 3.29Å; N562-L565 PolarHBondContact O-N 3.06Å; N562-C566 PolarHBondContact O-N 3.19Å; N562-C566 PolarHBondContact O-SG 3.18Å; N562-C566 VanDerWaalsContact O-SG 3.41Å
563	F	86.4	Confident	78.8	Confident	7 Å²	7	48.4 Å²	48.4	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-43.7	175.5	163	-93.4	0	0	0	111.9	I532 W537 A540 R541 Y544 S559 L560 L565 C566 A567	I532-F563 HydrophobicContact CD1-CD2 3.69Å; I532-F563 HydrophobicContact CD1-CE2 4.26Å; I532-F563 HydrophobicContact CG1-CD2 3.67Å; I532-F563 HydrophobicContact CG1-CE2 3.7Å; W537-F563 HydrophobicContact CB-CZ 4.37Å; W537-F563 AromaticContact CE3-CE2 3.8Å; W537-F563 HydrophobicContact CE3-CE2 3.8Å; W537-F563 HydrophobicContact CE3-CZ 4.08Å; W537-F563 HydrophobicContact CZ3-CE2 4.26Å; A540-F563 HydrophobicContact CB-CD2 4.42Å; A540-F563 HydrophobicContact CB-CE1 4.41Å; A540-F563 HydrophobicContact CB-CE2 3.48Å; A540-F563 VanDerWaalsContact CB-CE2 3.48Å; A540-F563 HydrophobicContact CB-CZ 3.48Å; A540-F563 VanDerWaalsContact CB-CZ 3.48Å; R541-F563 HydrophobicContact CG-CE1 3.61Å; R541-F563 HydrophobicContact CG-CZ 4.25Å; Y544-F563 HydrophobicContact CD2-CD1 4.11Å; Y544-F563 HydrophobicContact CD2-CG 4.16Å; Y544-F563 HydrophobicContact CE2-CB 3.62Å; Y544-F563 AromaticContact CE2-CD1 3.91Å; Y544-F563 HydrophobicContact CE2-CD1 3.91Å; Y544-F563 AromaticContact CE2-CD2 3.9Å; Y544-F563 HydrophobicContact CE2-CD2 3.9Å; Y544-F563 AromaticContact CE2-CG 3.5Å; Y544-F563 HydrophobicContact CE2-CG 3.5Å; S559-F563 WeakPolarHBondContact O-CB 3.32Å; S559-F563 PolarHBondContact O-N 3.48Å; L560-F563 HydrophobicContact CD1-CD1 4.05Å; L560-F563 PolarHBondContact O-N 2.86Å; F563-L565 PolarHBondContact O-N 3.16Å; F563-C566 CarbonylContact O-C 3.56Å; F563-C566 PolarHBondContact O-N 3.03Å; F563-C566 VanDerWaalsContact O-N 3.07Å; F563-A567 HydrophobicContact CE1-CB 4.18Å; F563-A567 HydrophobicContact CE2-CB 4.27Å; F563-A567 HydrophobicContact CZ-CB 3.97Å; F563-A567 VanDerWaalsContact O-CB 3.29Å; F563-A567 WeakPolarHBondContact O-CB 3.27Å; F563-A567 PolarHBondContact O-N 3.32Å
564	E	84.5	Confident	77.9	Confident	13 Å²	13	49.5 Å²	49.5	6%	0.061	29%	0.285	C	S	.	.	H	α-helix	trans	-65.3	-27.6	176.6	-73.5	-61.9	165.6	0	0	113	R541 L560 A561 A606 R609 I613	R541-E564 WeakPolarHBondContact CD-OE1 3.36Å; R541-E564 WeakPolarHBondContact CG-OE1 3.44Å; R541-E564 IonicContact CZ-OE1 2.84Å; R541-E564 IonicContact CZ-OE2 3.1Å; R541-E564 IonicContact NE-OE1 3.33Å; R541-E564 PolarHBondContact NE-OE1 3.22Å; R541-E564 IonicContact NE-OE2 3.65Å; R541-E564 PolarHBondContact NE-OE2 3.3Å; R541-E564 IonicContact NH2-OE1 2.68Å; R541-E564 IonicContact NH2-OE2 3.5Å; R541-E564 PolarHBondContact NH2-OE2 3.46Å; L560-E564 PolarHBondContact O-N 3.12Å; A561-E564 PolarHBondContact O-N 2.91Å; E564-A606 WeakPolarHBondContact O-CB 3.47Å; E564-R609 HydrophobicContact CB-CB 4.31Å; E564-R609 HydrophobicContact CG-CB 4.23Å; E564-R609 WeakPolarHBondContact OE2-CD 3.43Å; E564-I613 HydrophobicContact CB-CD1 4.04Å; E564-I613 HydrophobicContact CG-CD1 3.21Å
565	L	80.5	Confident	77	Confident	31 Å²	31	53.5 Å²	53.5	16%	0.162	31%	0.306	C	S	.	.	H	α-helix	trans	-70.2	-36.4	171.4	-72.7	173.7	0	0	0	112.2	A561 N562 F563 L568 V607 F640 Y644	A561-L565 PolarHBondContact O-N 3.34Å; N562-L565 WeakPolarHBondContact O-CB 3.29Å; N562-L565 PolarHBondContact O-N 3.06Å; F563-L565 PolarHBondContact O-N 3.16Å; L565-L568 WeakPolarHBondContact O-CD1 3.44Å; L565-L568 WeakPolarHBondContact O-CG 3.13Å; L565-V607 HydrophobicContact CD2-CG2 4.13Å; L565-F640 HydrophobicContact CD1-CD2 3.86Å; L565-F640 HydrophobicContact CD1-CE2 3.74Å; L565-F640 HydrophobicContact CD2-CE2 3.65Å; L565-F640 HydrophobicContact CD2-CZ 4.46Å; L565-F640 HydrophobicContact CG-CE2 3.98Å; L565-Y644 HydrophobicContact CD1-CE2 4.19Å; L565-Y644 HydrophobicContact CD2-CE2 4.46Å
566	C	78.3	Confident	76	Confident	89 Å²	89	47 Å²	47	60%	0.601	28%	0.278	S	S	*	.	H	α-helix	trans	-78.1	-29.9	178.1	-67.7	0	0	0	0	112.9	N562 F563 L568	N562-C566 PolarHBondContact O-N 3.19Å; N562-C566 PolarHBondContact O-SG 3.18Å; N562-C566 VanDerWaalsContact O-SG 3.41Å; F563-C566 CarbonylContact O-C 3.56Å; F563-C566 PolarHBondContact O-N 3.03Å; F563-C566 VanDerWaalsContact O-N 3.07Å; C566-L568 PolarHBondContact O-N 3.11Å
567	A	72.6	Confident	75	Confident	2 Å²	2	50.2 Å²	50.2	2%	0.017	30%	0.295	C	S	.	.			trans	-75.7	56.6	-178.6	0	0	0	0	0	112.2	W537 F563	W537-A567 HydrophobicContact CB-CB 4.5Å; W537-A567 HydrophobicContact CD2-CB 3.95Å; W537-A567 HydrophobicContact CE3-CB 3.85Å; W537-A567 HydrophobicContact CG-CB 4.25Å; W537-A567 HydrophobicContact CZ3-CB 4.38Å; F563-A567 HydrophobicContact CE1-CB 4.18Å; F563-A567 HydrophobicContact CE2-CB 4.27Å; F563-A567 HydrophobicContact CZ-CB 3.97Å; F563-A567 VanDerWaalsContact O-CB 3.29Å; F563-A567 WeakPolarHBondContact O-CB 3.27Å; F563-A567 PolarHBondContact O-N 3.32Å
568	L	68.9	Low	73.9	Confident	38 Å²	38	55.9 Å²	55.9	20%	0.199	33%	0.327	C	S	.	.			trans	-91	116.9	174.4	-66	164.3	0	0	0	108.8	L565 C566 K570 I603 A606	L565-L568 WeakPolarHBondContact O-CD1 3.44Å; L565-L568 WeakPolarHBondContact O-CG 3.13Å; C566-L568 PolarHBondContact O-N 3.11Å; L568-K570 HydrophobicContact CB-CG 4.08Å; L568-K570 PolarHBondContact O-N 3.17Å; L568-I603 HydrophobicContact CD1-CG1 4.23Å; L568-I603 HydrophobicContact CD2-CB 4.32Å; L568-I603 HydrophobicContact CD2-CG1 3.81Å; L568-A606 HydrophobicContact CD2-CB 3.52Å; L568-A606 HydrophobicContact CG-CB 4.49Å
569	N	63.6	Low	72.9	Confident	94 Å²	94	61.4 Å²	61.4	50%	0.503	35%	0.351	S	S	.	.			trans	-74.7	80.4	163.3	-78.6	-5.5	0	0	0	107.9	W537 L571	W537-N569 VanDerWaalsContact CD1-OD1 3.27Å; W537-N569 PolarHBondContact NE1-OD1 3.35Å; N569-L571 PolarHBondContact O-N 3.22Å
570	K	65.9	Low	71.9	Confident	136 Å²	136	62.3 Å²	62.3	59%	0.591	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-70	119.4	174.5	-70.7	-176.8	-179.3	177.4	0	108.5	L568 T572 N599	L568-K570 HydrophobicContact CB-CG 4.08Å; L568-K570 PolarHBondContact O-N 3.17Å; K570-T572 PolarHBondContact O-N 3.12Å; K570-N599 VanDerWaalsContact CA-OD1 3.26Å; K570-N599 WeakPolarHBondContact CA-OD1 3.4Å
571	L	64.9	Low	70.7	Confident	34 Å²	34	64.4 Å²	64.4	18%	0.178	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-72.3	123.5	169.7	-160.2	80	0	0	0	108	N569 D575 L576 I595 H598 N599	N569-L571 PolarHBondContact O-N 3.22Å; L571-D575 HydrophobicContact CD1-CB 3.88Å; L571-D575 HydrophobicContact CG-CB 4.35Å; L571-L576 HydrophobicContact CD2-CD2 4.07Å; L571-I595 HydrophobicContact CD2-CG1 4.46Å; L571-I595 WeakPolarHBondContact O-CG2 3.36Å; L571-H598 HydrophobicContact CB-CB 4.42Å; L571-H598 VanDerWaalsContact CB-CD2 3.49Å; L571-H598 WeakPolarHBondContact CB-CD2 3.38Å; L571-H598 HydrophobicContact CD2-CB 4.16Å; L571-N599 PolarHBondContact N-OD1 3.27Å; L571-N599 PolarHBondContact O-ND2 3.13Å
572	T	63.6	Low	69.7	Low	71 Å²	71	70.3 Å²	70.3	44%	0.436	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-102.4	163.1	170.7	69.6	0	0	0	0	109.9	K570 A574 D575	K570-T572 PolarHBondContact O-N 3.12Å; T572-A574 PolarHBondContact O-N 3.25Å; T572-D575 WeakPolarHBondContact CA-OD2 3.44Å; T572-D575 WeakPolarHBondContact CB-OD2 3.5Å; T572-D575 PolarHBondContact N-OD2 2.91Å; T572-D575 PolarHBondContact O-N 2.91Å; T572-D575 PolarHBondContact OG1-OD2 2.78Å
573	A	61.7	Low	68.7	Low	76 Å²	76	72.2 Å²	72.2	63%	0.628	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.9	177.4	0	0	0	0	0	113.7	I595	A573-I595 HydrophobicContact CB-CD1 3.89Å
574	A	65.1	Low	67.5	Low	91 Å²	91	72.7 Å²	72.7	75%	0.752	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-17.6	176.9	0	0	0	0	0	113.4	T572	T572-A574 PolarHBondContact O-N 3.25Å
575	D	65.6	Low	66.5	Low	88 Å²	88	79.7 Å²	79.7	47%	0.471	43%	0.43	S	S	.	.	S	Bend	trans	-87	-10.7	-178.2	-55.9	-51	0	0	0	112.6	L571 T572 D577	L571-D575 HydrophobicContact CD1-CB 3.88Å; L571-D575 HydrophobicContact CG-CB 4.35Å; T572-D575 WeakPolarHBondContact CA-OD2 3.44Å; T572-D575 WeakPolarHBondContact CB-OD2 3.5Å; T572-D575 PolarHBondContact N-OD2 2.91Å; T572-D575 PolarHBondContact O-N 2.91Å; T572-D575 PolarHBondContact OG1-OD2 2.78Å; D575-D577 PolarHBondContact O-N 3.46Å
576	L	64.8	Low	65.8	Low	17 Å²	17	84.5 Å²	84.5	9%	0.089	46%	0.456	C	S	.	.			trans	-73.8	114.5	175.2	-68.4	164.7	0	0	0	109.3	L571 D580 L584 L594 I595	L571-L576 HydrophobicContact CD2-CD2 4.07Å; L576-D580 HydrophobicContact CB-CB 4.22Å; L576-D580 HydrophobicContact CD2-CB 3.74Å; L576-L584 HydrophobicContact CD1-CD1 4.41Å; L576-L584 HydrophobicContact CD2-CD1 4.43Å; L576-L594 HydrophobicContact CD2-CD2 3.67Å; L576-I595 HydrophobicContact CD1-CD1 3.91Å; L576-I595 HydrophobicContact CD1-CG1 4.07Å
577	D	66.2	Low	65.2	Low	84 Å²	84	84 Å²	84	45%	0.449	45%	0.45	S	S	.	.			trans	-80	172.2	175.5	55.8	21.3	0	0	0	112.1	D575 E579 D580 L581	D575-D577 PolarHBondContact O-N 3.46Å; D577-E579 PolarHBondContact O-N 3.41Å; D577-D580 PolarHBondContact N-OD2 2.93Å; D577-D580 WeakPolarHBondContact O-CB 3.3Å; D577-D580 PolarHBondContact O-N 2.9Å; D577-D580 VanDerWaalsContact O-N 3.16Å; D577-D580 WeakPolarHBondContact OD1-CB 3.42Å; D577-D580 PolarHBondContact OD1-N 3.36Å; D577-L581 WeakPolarHBondContact O-CG 3.4Å; D577-L581 PolarHBondContact O-N 3.14Å
578	D	64.6	Low	64.8	Low	136 Å²	136	92.7 Å²	92.7	73%	0.727	49%	0.49	S	S	*	.	H	α-helix	trans	-61.1	-28	-178.2	-74.9	-31.9	0	0	0	111.9	E582	D578-E582 WeakPolarHBondContact O-CB 3.47Å; D578-E582 PolarHBondContact O-N 3.24Å
579	E	66.2	Low	64.5	Low	153 Å²	153	93.8 Å²	93.8	72%	0.715	50%	0.496	S	S	*	.	H	α-helix	trans	-69.7	-45.7	174.7	-65.3	-173	-177	0	0	111.1	D577 L581 E582 H583	D577-E579 PolarHBondContact O-N 3.41Å; E579-L581 VanDerWaalsContact C-N 3.28Å; E579-L581 PolarHBondContact O-N 3Å; E579-E582 PolarHBondContact O-N 3.22Å; E579-E582 VanDerWaalsContact O-N 3.12Å; E579-H583 PolarHBondContact O-N 2.94Å
580	D	65.2	Low	64.7	Low	62 Å²	62	94.8 Å²	94.8	33%	0.332	50%	0.501	S	S	.	.	H	α-helix	trans	-59.1	-41.1	173.6	-72.8	-32.2	0	0	0	111.4	L576 D577 E582 H583 L584	L576-D580 HydrophobicContact CB-CB 4.22Å; L576-D580 HydrophobicContact CD2-CB 3.74Å; D577-D580 PolarHBondContact N-OD2 2.93Å; D577-D580 WeakPolarHBondContact O-CB 3.3Å; D577-D580 PolarHBondContact O-N 2.9Å; D577-D580 VanDerWaalsContact O-N 3.16Å; D577-D580 WeakPolarHBondContact OD1-CB 3.42Å; D577-D580 PolarHBondContact OD1-N 3.36Å; D580-E582 VanDerWaalsContact C-N 3.31Å; D580-E582 PolarHBondContact O-N 2.91Å; D580-H583 PolarHBondContact O-N 2.97Å; D580-L584 WeakPolarHBondContact O-CB 3.2Å; D580-L584 VanDerWaalsContact O-CD1 3.32Å; D580-L584 WeakPolarHBondContact O-CD1 3.47Å; D580-L584 VanDerWaalsContact O-CG 3.29Å; D580-L584 WeakPolarHBondContact O-CG 3.36Å; D580-L584 PolarHBondContact O-N 3.44Å
581	L	64.9	Low	64.8	Low	46 Å²	46	94.1 Å²	94.1	24%	0.241	50%	0.498	C	S	.	.	H	α-helix	trans	-67.2	-29.3	176.5	-70	176.2	0	0	0	113.3	D577 E579 L584 K591	D577-L581 WeakPolarHBondContact O-CG 3.4Å; D577-L581 PolarHBondContact O-N 3.14Å; E579-L581 VanDerWaalsContact C-N 3.28Å; E579-L581 PolarHBondContact O-N 3Å; L581-L584 HydrophobicContact CD2-CD1 4.1Å; L581-K591 HydrophobicContact CD2-CD 4.19Å; L581-K591 VanDerWaalsContact CD2-CE 3.48Å
582	E	64.2	Low	65.1	Low	125 Å²	125	99.4 Å²	99.4	58%	0.584	52%	0.522	S	S	*	.	H	α-helix	trans	-77.3	-41.8	174.8	-160.9	159	-140.4	0	0	110.6	D578 E579 D580 L584 K585 D586	D578-E582 WeakPolarHBondContact O-CB 3.47Å; D578-E582 PolarHBondContact O-N 3.24Å; E579-E582 PolarHBondContact O-N 3.22Å; E579-E582 VanDerWaalsContact O-N 3.12Å; D580-E582 VanDerWaalsContact C-N 3.31Å; D580-E582 PolarHBondContact O-N 2.91Å; E582-L584 VanDerWaalsContact C-N 3.29Å; E582-L584 PolarHBondContact O-N 3.5Å; E582-K585 WeakPolarHBondContact O-CB 3.39Å; E582-K585 PolarHBondContact O-N 3.38Å; E582-D586 PolarHBondContact O-N 3.28Å
583	H	65.1	Low	65.7	Low	124 Å²	124	98.1 Å²	98.1	57%	0.574	51%	0.514	S	S	*	.	H	α-helix	trans	-64.9	-32.5	174.2	-156.2	-60.2	0	0	0	112.4	E579 D580 K585 D586 V587	E579-H583 PolarHBondContact O-N 2.94Å; D580-H583 PolarHBondContact O-N 2.97Å; H583-K585 VanDerWaalsContact C-N 3.27Å; H583-K585 PolarHBondContact O-N 3.05Å; H583-D586 PolarHBondContact O-N 3.18Å; H583-V587 WeakPolarHBondContact ND1-CG2 3.34Å; H583-V587 WeakPolarHBondContact O-CG2 3.15Å; H583-V587 PolarHBondContact O-N 2.89Å
584	L	62	Low	66.2	Low	16 Å²	16	97.2 Å²	97.2	8%	0.084	50%	0.498	C	S	.	.	H	α-helix	trans	-62	-32.4	170.9	-84.1	155.5	0	0	0	112.4	L576 D580 L581 E582 L589 K591 L594	L576-L584 HydrophobicContact CD1-CD1 4.41Å; L576-L584 HydrophobicContact CD2-CD1 4.43Å; D580-L584 WeakPolarHBondContact O-CB 3.2Å; D580-L584 VanDerWaalsContact O-CD1 3.32Å; D580-L584 WeakPolarHBondContact O-CD1 3.47Å; D580-L584 VanDerWaalsContact O-CG 3.29Å; D580-L584 WeakPolarHBondContact O-CG 3.36Å; D580-L584 PolarHBondContact O-N 3.44Å; L581-L584 HydrophobicContact CD2-CD1 4.1Å; E582-L584 VanDerWaalsContact C-N 3.29Å; E582-L584 PolarHBondContact O-N 3.5Å; L584-L589 HydrophobicContact CD2-CB 4.46Å; L584-L589 VanDerWaalsContact CD2-O 3.3Å; L584-L589 WeakPolarHBondContact CD2-O 3.43Å; L584-K591 HydrophobicContact CD1-CG 4.1Å; L584-L594 HydrophobicContact CD1-CD2 4Å; L584-L594 HydrophobicContact CD2-CB 4.01Å; L584-L594 HydrophobicContact CD2-CD2 3.93Å; L584-L594 HydrophobicContact CG-CD2 4.01Å
585	K	63	Low	66.5	Low	161 Å²	161	94.1 Å²	94.1	70%	0.7	47%	0.469	S	S	*	.	H	α-helix	trans	-74	-32.6	175.9	-67.7	170.2	-172.6	162.7	0	112.2	E582 H583	E582-K585 WeakPolarHBondContact O-CB 3.39Å; E582-K585 PolarHBondContact O-N 3.38Å; H583-K585 VanDerWaalsContact C-N 3.27Å; H583-K585 PolarHBondContact O-N 3.05Å
586	D	65.7	Low	67	Low	132 Å²	132	95.2 Å²	95.2	71%	0.706	47%	0.471	S	S	*	.	H	α-helix	trans	-75.1	-29.1	-178	-76.5	-13.3	0	0	0	113.4	E582 H583	E582-D586 PolarHBondContact O-N 3.28Å; H583-D586 PolarHBondContact O-N 3.18Å
587	V	66.4	Low	67.6	Low	77 Å²	77	99.2 Å²	99.2	47%	0.467	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	0.7	-173.5	-160.1	0	0	0	0	113.2	H583 L589	H583-V587 WeakPolarHBondContact ND1-CG2 3.34Å; H583-V587 WeakPolarHBondContact O-CG2 3.15Å; H583-V587 PolarHBondContact O-N 2.89Å; V587-L589 HydrophobicContact CB-CD1 4.03Å; V587-L589 HydrophobicContact CG1-CD1 3.46Å; V587-L589 VanDerWaalsContact CG1-CD1 3.46Å; V587-L589 PolarHBondContact O-N 3.38Å; V587-L589 VanDerWaalsContact O-N 3.16Å
588	E	62.7	Low	68.1	Low	186 Å²	186	98.5 Å²	98.5	87%	0.869	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	32.9	-176.2	-63.7	-176.6	161.5	0	0	113.4
589	L	63.8	Low	68.6	Low	60 Å²	60	93.7 Å²	93.7	31%	0.314	46%	0.458	S	S	.	.			trans	-95.4	139.7	172.5	-95.7	109.3	0	0	0	111.1	L584 V587	L584-L589 HydrophobicContact CD2-CB 4.46Å; L584-L589 VanDerWaalsContact CD2-O 3.3Å; L584-L589 WeakPolarHBondContact CD2-O 3.43Å; V587-L589 HydrophobicContact CB-CD1 4.03Å; V587-L589 HydrophobicContact CG1-CD1 3.46Å; V587-L589 VanDerWaalsContact CG1-CD1 3.46Å; V587-L589 PolarHBondContact O-N 3.38Å; V587-L589 VanDerWaalsContact O-N 3.16Å
590	D	67.9	Low	69.2	Low	116 Å²	116	92.1 Å²	92.1	62%	0.62	45%	0.45	S	S	*	.			trans	-72.1	139.6	175.5	-70	-29	0	0	0	110.3	E592 T593 L594	D590-E592 PolarHBondContact O-N 2.91Å; D590-E592 VanDerWaalsContact O-N 3.09Å; D590-T593 HydrophobicContact CB-CG2 4.16Å; D590-T593 PolarHBondContact N-OG1 2.95Å; D590-T593 PolarHBondContact O-N 3.47Å; D590-T593 PolarHBondContact O-OG1 3.14Å; D590-L594 PolarHBondContact O-N 2.91Å; D590-L594 VanDerWaalsContact O-N 3.15Å
591	K	67.7	Low	69.9	Low	121 Å²	121	93.2 Å²	93.2	53%	0.526	46%	0.456	S	S	.	.	H	α-helix	trans	-50	-39.7	177.7	-60.9	-172.7	178.4	-169.6	0	112.5	L581 L584 I595	L581-K591 HydrophobicContact CD2-CD 4.19Å; L581-K591 VanDerWaalsContact CD2-CE 3.48Å; L584-K591 HydrophobicContact CD1-CG 4.1Å; K591-I595 WeakPolarHBondContact O-CD1 3.2Å; K591-I595 VanDerWaalsContact O-CG1 3.27Å; K591-I595 WeakPolarHBondContact O-CG1 3.19Å; K591-I595 PolarHBondContact O-N 3.37Å
592	E	72	Confident	70.6	Confident	145 Å²	145	92.1 Å²	92.1	68%	0.678	45%	0.45	S	S	*	.	H	α-helix	trans	-65.7	-40.7	179.2	-66.6	-178.1	175.9	0	0	111.8	D590 I595 Q596	D590-E592 PolarHBondContact O-N 2.91Å; D590-E592 VanDerWaalsContact O-N 3.09Å; E592-I595 PolarHBondContact O-N 2.9Å; E592-Q596 WeakPolarHBondContact O-CB 3.07Å; E592-Q596 VanDerWaalsContact O-CG 3.23Å; E592-Q596 WeakPolarHBondContact O-CG 3.17Å; E592-Q596 PolarHBondContact O-N 2.96Å
593	T	75.1	Confident	71.3	Confident	45 Å²	45	89.4 Å²	89.4	28%	0.276	44%	0.439	S	S	.	.	H	α-helix	trans	-67	-41.4	178.7	56.1	0	0	0	0	112.2	D590 I595 Q596 E597	D590-T593 HydrophobicContact CB-CG2 4.16Å; D590-T593 PolarHBondContact N-OG1 2.95Å; D590-T593 PolarHBondContact O-N 3.47Å; D590-T593 PolarHBondContact O-OG1 3.14Å; T593-I595 PolarHBondContact O-N 3.04Å; T593-Q596 PolarHBondContact O-N 3.41Å; T593-E597 WeakPolarHBondContact O-CB 3.46Å; T593-E597 WeakPolarHBondContact O-CG 3.36Å; T593-E597 PolarHBondContact O-N 2.84Å
594	L	71.8	Confident	72.1	Confident	56 Å²	56	87.9 Å²	87.9	29%	0.293	44%	0.435	S	S	.	.	H	α-helix	trans	-61.5	-46.3	175.7	-175	79.4	0	0	0	111.8	L576 L584 D590 Q596 E597 H598	L576-L594 HydrophobicContact CD2-CD2 3.67Å; L584-L594 HydrophobicContact CD1-CD2 4Å; L584-L594 HydrophobicContact CD2-CB 4.01Å; L584-L594 HydrophobicContact CD2-CD2 3.93Å; L584-L594 HydrophobicContact CG-CD2 4.01Å; D590-L594 PolarHBondContact O-N 2.91Å; D590-L594 VanDerWaalsContact O-N 3.15Å; L594-Q596 VanDerWaalsContact C-N 3.34Å; L594-E597 PolarHBondContact O-N 3.13Å; L594-H598 VanDerWaalsContact O-CB 3.3Å; L594-H598 WeakPolarHBondContact O-CB 3.45Å; L594-H598 PolarHBondContact O-N 3.39Å
595	I	72.3	Confident	73.1	Confident	27 Å²	27	91.7 Å²	91.7	14%	0.138	45%	0.451	C	S	.	.	H	α-helix	trans	-63.4	-42.8	178.6	-68.6	166.1	0	0	0	110.5	L571 A573 L576 K591 E592 T593 N599	L571-I595 HydrophobicContact CD2-CG1 4.46Å; L571-I595 WeakPolarHBondContact O-CG2 3.36Å; A573-I595 HydrophobicContact CB-CD1 3.89Å; L576-I595 HydrophobicContact CD1-CD1 3.91Å; L576-I595 HydrophobicContact CD1-CG1 4.07Å; K591-I595 WeakPolarHBondContact O-CD1 3.2Å; K591-I595 VanDerWaalsContact O-CG1 3.27Å; K591-I595 WeakPolarHBondContact O-CG1 3.19Å; K591-I595 PolarHBondContact O-N 3.37Å; E592-I595 PolarHBondContact O-N 2.9Å; T593-I595 PolarHBondContact O-N 3.04Å; I595-N599 WeakPolarHBondContact CG2-ND2 3.49Å; I595-N599 VanDerWaalsContact O-CB 3.26Å; I595-N599 WeakPolarHBondContact O-CB 3.42Å; I595-N599 PolarHBondContact O-N 2.96Å; I595-N599 PolarHBondContact O-ND2 3.23Å; I595-N599 VanDerWaalsContact O-ND2 3.09Å
596	Q	76.3	Confident	74	Confident	110 Å²	110	84 Å²	84	51%	0.514	42%	0.418	S	S	.	.	H	α-helix	trans	-62.8	-51.7	176.9	-77	174	3	0	0	111.3	E592 T593 L594 H598 N599 E600	E592-Q596 WeakPolarHBondContact O-CB 3.07Å; E592-Q596 VanDerWaalsContact O-CG 3.23Å; E592-Q596 WeakPolarHBondContact O-CG 3.17Å; E592-Q596 PolarHBondContact O-N 2.96Å; T593-Q596 PolarHBondContact O-N 3.41Å; L594-Q596 VanDerWaalsContact C-N 3.34Å; Q596-H598 VanDerWaalsContact C-N 3.33Å; Q596-H598 PolarHBondContact O-N 3.41Å; Q596-N599 PolarHBondContact O-N 2.97Å; Q596-E600 WeakPolarHBondContact O-CB 3.43Å; Q596-E600 WeakPolarHBondContact O-CG 3.41Å; Q596-E600 PolarHBondContact O-N 2.96Å
597	E	77.5	Confident	75	Confident	102 Å²	102	78.2 Å²	78.2	48%	0.477	39%	0.387	S	S	.	.	H	α-helix	trans	-60.8	-40.9	179.2	-74.1	-175.3	174.1	0	0	111.9	T593 L594 N601	T593-E597 WeakPolarHBondContact O-CB 3.46Å; T593-E597 WeakPolarHBondContact O-CG 3.36Å; T593-E597 PolarHBondContact O-N 2.84Å; L594-E597 PolarHBondContact O-N 3.13Å; E597-N601 VanDerWaalsContact O-CB 3.25Å; E597-N601 WeakPolarHBondContact O-CB 3.36Å; E597-N601 PolarHBondContact O-N 3Å; E597-N601 PolarHBondContact O-ND2 3.44Å
598	H	75.2	Confident	75.9	Confident	68 Å²	68	79.6 Å²	79.6	32%	0.315	39%	0.388	S	S	.	.	H	α-helix	trans	-62.7	-48.4	175.9	-173.9	98.3	0	0	0	111.4	L571 L594 Q596 N601 E602	L571-H598 HydrophobicContact CB-CB 4.42Å; L571-H598 VanDerWaalsContact CB-CD2 3.49Å; L571-H598 WeakPolarHBondContact CB-CD2 3.38Å; L571-H598 HydrophobicContact CD2-CB 4.16Å; L594-H598 VanDerWaalsContact O-CB 3.3Å; L594-H598 WeakPolarHBondContact O-CB 3.45Å; L594-H598 PolarHBondContact O-N 3.39Å; Q596-H598 VanDerWaalsContact C-N 3.33Å; Q596-H598 PolarHBondContact O-N 3.41Å; H598-N601 PolarHBondContact O-N 3.4Å; H598-E602 PolarHBondContact O-N 3.15Å
599	N	76.5	Confident	77	Confident	35 Å²	35	74.7 Å²	74.7	19%	0.187	36%	0.362	C	S	.	.	H	α-helix	trans	-66	-40.4	-178.4	-73.9	-28.1	0	0	0	112	K570 L571 I595 Q596 E602 I603	K570-N599 VanDerWaalsContact CA-OD1 3.26Å; K570-N599 WeakPolarHBondContact CA-OD1 3.4Å; L571-N599 PolarHBondContact N-OD1 3.27Å; L571-N599 PolarHBondContact O-ND2 3.13Å; I595-N599 WeakPolarHBondContact CG2-ND2 3.49Å; I595-N599 VanDerWaalsContact O-CB 3.26Å; I595-N599 WeakPolarHBondContact O-CB 3.42Å; I595-N599 PolarHBondContact O-N 2.96Å; I595-N599 PolarHBondContact O-ND2 3.23Å; I595-N599 VanDerWaalsContact O-ND2 3.09Å; Q596-N599 PolarHBondContact O-N 2.97Å; N599-E602 PolarHBondContact O-N 2.97Å; N599-I603 WeakPolarHBondContact O-CD1 3.46Å; N599-I603 WeakPolarHBondContact O-CG1 3.45Å; N599-I603 PolarHBondContact O-N 3.5Å
600	E	79.2	Confident	78.1	Confident	120 Å²	120	71.8 Å²	71.8	56%	0.561	35%	0.347	S	S	*	.	H	α-helix	trans	-63.2	-42.1	173.6	-74.6	-176.4	175.8	0	0	111.8	Q596 I603 N604	Q596-E600 WeakPolarHBondContact O-CB 3.43Å; Q596-E600 WeakPolarHBondContact O-CG 3.41Å; Q596-E600 PolarHBondContact O-N 2.96Å; E600-I603 PolarHBondContact O-N 3.31Å; E600-N604 VanDerWaalsContact O-CG 3.31Å; E600-N604 PolarHBondContact O-N 2.93Å; E600-N604 PolarHBondContact O-ND2 2.84Å
601	N	79.2	Confident	79.2	Confident	86 Å²	86	68.3 Å²	68.3	46%	0.46	33%	0.325	S	S	.	.	H	α-helix	trans	-64.2	-40.7	176.2	-77.1	-38.1	0	0	0	112.4	E597 H598 N604 K605	E597-N601 VanDerWaalsContact O-CB 3.25Å; E597-N601 WeakPolarHBondContact O-CB 3.36Å; E597-N601 PolarHBondContact O-N 3Å; E597-N601 PolarHBondContact O-ND2 3.44Å; H598-N601 PolarHBondContact O-N 3.4Å; N601-N604 PolarHBondContact O-N 3.5Å; N601-K605 VanDerWaalsContact O-CG 3.31Å; N601-K605 WeakPolarHBondContact O-CG 3.34Å; N601-K605 PolarHBondContact O-N 2.94Å
602	E	78.5	Confident	80.3	Confident	23 Å²	23	67.9 Å²	67.9	11%	0.107	32%	0.323	C	S	.	.	H	α-helix	trans	-67.9	-37.3	174.7	-79.6	-57.9	132.9	0	0	112.4	H598 N599 N604 K605 A606	H598-E602 PolarHBondContact O-N 3.15Å; N599-E602 PolarHBondContact O-N 2.97Å; E602-N604 PolarHBondContact O-N 3.42Å; E602-K605 PolarHBondContact O-N 3.32Å; E602-K605 WeakPolarHBondContact OE1-CD 3.37Å; E602-K605 IonicContact OE1-NZ 3.43Å; E602-K605 PolarHBondContact OE1-NZ 3.04Å; E602-A606 WeakPolarHBondContact O-CB 3.48Å; E602-A606 PolarHBondContact O-N 2.97Å
603	I	78.6	Confident	81.1	Confident	67 Å²	67	61.3 Å²	61.3	34%	0.344	29%	0.292	S	S	.	.	H	α-helix	trans	-59.9	-47.4	172.3	-69	163.1	0	0	0	110.4	L568 N599 E600 K605 A606 V607	L568-I603 HydrophobicContact CD1-CG1 4.23Å; L568-I603 HydrophobicContact CD2-CB 4.32Å; L568-I603 HydrophobicContact CD2-CG1 3.81Å; N599-I603 WeakPolarHBondContact O-CD1 3.46Å; N599-I603 WeakPolarHBondContact O-CG1 3.45Å; N599-I603 PolarHBondContact O-N 3.5Å; E600-I603 PolarHBondContact O-N 3.31Å; I603-K605 VanDerWaalsContact C-N 3.33Å; I603-K605 PolarHBondContact O-N 2.83Å; I603-A606 WeakPolarHBondContact O-CB 3.42Å; I603-A606 PolarHBondContact O-N 3.44Å; I603-A606 VanDerWaalsContact O-N 3.16Å; I603-V607 HydrophobicContact CG2-CG2 4.39Å; I603-V607 WeakPolarHBondContact O-CG2 3.31Å; I603-V607 PolarHBondContact O-N 2.85Å
604	N	81.8	Confident	81.8	Confident	93 Å²	93	59.4 Å²	59.4	50%	0.497	28%	0.28	S	S	.	.	H	α-helix	trans	-60.6	-43	178.1	-73	-31.4	0	0	0	111.7	E600 N601 E602 A606 V607 E608	E600-N604 VanDerWaalsContact O-CG 3.31Å; E600-N604 PolarHBondContact O-N 2.93Å; E600-N604 PolarHBondContact O-ND2 2.84Å; N601-N604 PolarHBondContact O-N 3.5Å; E602-N604 PolarHBondContact O-N 3.42Å; N604-A606 PolarHBondContact O-N 3.33Å; N604-V607 PolarHBondContact O-N 2.89Å; N604-E608 WeakPolarHBondContact O-CG 3.43Å; N604-E608 PolarHBondContact O-N 3.16Å
605	K	83.3	Confident	82.7	Confident	95 Å²	95	60.8 Å²	60.8	41%	0.413	29%	0.285	S	S	.	.	H	α-helix	trans	-62.6	-41.4	174.4	-71	173.7	-162.6	167.6	0	112.1	N601 E602 I603 E608 R609	N601-K605 VanDerWaalsContact O-CG 3.31Å; N601-K605 WeakPolarHBondContact O-CG 3.34Å; N601-K605 PolarHBondContact O-N 2.94Å; E602-K605 PolarHBondContact O-N 3.32Å; E602-K605 WeakPolarHBondContact OE1-CD 3.37Å; E602-K605 IonicContact OE1-NZ 3.43Å; E602-K605 PolarHBondContact OE1-NZ 3.04Å; I603-K605 VanDerWaalsContact C-N 3.33Å; I603-K605 PolarHBondContact O-N 2.83Å; K605-E608 PolarHBondContact O-N 3.5Å; K605-R609 VanDerWaalsContact O-CG 3.32Å; K605-R609 WeakPolarHBondContact O-CG 3.41Å; K605-R609 PolarHBondContact O-N 3.34Å
606	A	82.8	Confident	83.6	Confident	1 Å²	1	63 Å²	63	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-44.6	178	0	0	0	0	0	111.8	E564 L568 E602 I603 N604 E608 R609 S610	E564-A606 WeakPolarHBondContact O-CB 3.47Å; L568-A606 HydrophobicContact CD2-CB 3.52Å; L568-A606 HydrophobicContact CG-CB 4.49Å; E602-A606 WeakPolarHBondContact O-CB 3.48Å; E602-A606 PolarHBondContact O-N 2.97Å; I603-A606 WeakPolarHBondContact O-CB 3.42Å; I603-A606 PolarHBondContact O-N 3.44Å; I603-A606 VanDerWaalsContact O-N 3.16Å; N604-A606 PolarHBondContact O-N 3.33Å; A606-E608 VanDerWaalsContact C-N 3.32Å; A606-E608 PolarHBondContact O-N 3.03Å; A606-R609 PolarHBondContact O-N 3.17Å; A606-S610 WeakPolarHBondContact O-CB 3.45Å; A606-S610 PolarHBondContact O-N 2.73Å
607	V	85.6	Confident	84.1	Confident	9 Å²	9	57.8 Å²	57.8	6%	0.055	27%	0.27	C	S	.	.	H	α-helix	trans	-59.9	-42.7	173.7	171.4	0	0	0	0	110.7	L565 I603 N604 S610 R611 F640 Y644	L565-V607 HydrophobicContact CD2-CG2 4.13Å; I603-V607 HydrophobicContact CG2-CG2 4.39Å; I603-V607 WeakPolarHBondContact O-CG2 3.31Å; I603-V607 PolarHBondContact O-N 2.85Å; N604-V607 PolarHBondContact O-N 2.89Å; V607-S610 PolarHBondContact O-N 3.18Å; V607-R611 VanDerWaalsContact O-CB 3.26Å; V607-R611 WeakPolarHBondContact O-CB 3.36Å; V607-R611 PolarHBondContact O-N 2.85Å; V607-F640 HydrophobicContact CG1-CE1 4.47Å; V607-F640 HydrophobicContact CG1-CZ 3.9Å; V607-Y644 HydrophobicContact CG2-CD1 3.79Å; V607-Y644 HydrophobicContact CG2-CG 3.93Å
608	E	86.6	Confident	84.6	Confident	106 Å²	106	53.8 Å²	53.8	50%	0.495	25%	0.252	S	S	.	.	H	α-helix	trans	-64	-40	174.8	-75.7	-174.9	-178.2	0	0	113.3	N604 K605 A606 K612	N604-E608 WeakPolarHBondContact O-CG 3.43Å; N604-E608 PolarHBondContact O-N 3.16Å; K605-E608 PolarHBondContact O-N 3.5Å; A606-E608 VanDerWaalsContact C-N 3.32Å; A606-E608 PolarHBondContact O-N 3.03Å; E608-K612 VanDerWaalsContact O-CG 3.31Å; E608-K612 WeakPolarHBondContact O-CG 3.42Å; E608-K612 PolarHBondContact O-N 2.92Å
609	R	86.2	Confident	85.2	Confident	83 Å²	83	57.8 Å²	57.8	31%	0.313	27%	0.269	S	S	.	.	H	α-helix	trans	-64.7	-47.6	175.4	-71.6	175.4	-163.5	148	6.5	111.1	E564 K605 A606 R611 K612 I613	E564-R609 HydrophobicContact CB-CB 4.31Å; E564-R609 HydrophobicContact CG-CB 4.23Å; E564-R609 WeakPolarHBondContact OE2-CD 3.43Å; K605-R609 VanDerWaalsContact O-CG 3.32Å; K605-R609 WeakPolarHBondContact O-CG 3.41Å; K605-R609 PolarHBondContact O-N 3.34Å; A606-R609 PolarHBondContact O-N 3.17Å; R609-R611 PolarHBondContact O-N 3.38Å; R609-K612 WeakPolarHBondContact O-CB 3.4Å; R609-K612 PolarHBondContact O-N 2.99Å; R609-K612 VanDerWaalsContact O-N 3.16Å; R609-I613 PolarHBondContact O-N 2.99Å
610	S	87.2	Confident	85.6	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-44.3	177.2	-172.9	0	0	0	0	111.4	A561 A606 V607 K612 I613 Y614 F640	A561-S610 PolarHBondContact O-OG 3.04Å; A606-S610 WeakPolarHBondContact O-CB 3.45Å; A606-S610 PolarHBondContact O-N 2.73Å; V607-S610 PolarHBondContact O-N 3.18Å; S610-K612 VanDerWaalsContact C-N 3.33Å; S610-K612 PolarHBondContact O-N 3.42Å; S610-I613 WeakPolarHBondContact O-CA 3.43Å; S610-I613 WeakPolarHBondContact O-CB 3.24Å; S610-I613 PolarHBondContact O-N 2.93Å; S610-Y614 WeakPolarHBondContact O-CD2 3.25Å; S610-Y614 PolarHBondContact O-N 3.43Å; S610-F640 WeakPolarHBondContact OG-CE2 3.45Å
611	R	89.5	Confident	85.9	Confident	42 Å²	42	52.1 Å²	52.1	16%	0.158	25%	0.247	C	C	.	.	H	α-helix	trans	-58.2	-41.8	173.4	-174.7	178.4	-67.7	117.2	2.1	112.7	V607 R609 I613 Y614 Q615 F640 E641	V607-R611 VanDerWaalsContact O-CB 3.26Å; V607-R611 WeakPolarHBondContact O-CB 3.36Å; V607-R611 PolarHBondContact O-N 2.85Å; R609-R611 PolarHBondContact O-N 3.38Å; R611-I613 VanDerWaalsContact C-N 3.3Å; R611-I613 PolarHBondContact O-N 2.97Å; R611-Y614 PolarHBondContact O-N 3.2Å; R611-Q615 WeakPolarHBondContact O-CG 3.5Å; R611-Q615 PolarHBondContact O-N 3.23Å; R611-F640 HydrophobicContact CB-CE1 4.05Å; R611-F640 HydrophobicContact CB-CZ 4.5Å; R611-E641 WeakPolarHBondContact CD-OE1 3.34Å; R611-E641 WeakPolarHBondContact CG-OE1 3.46Å; R611-E641 IonicContact CZ-OE1 2.65Å; R611-E641 IonicContact CZ-OE2 3.79Å; R611-E641 IonicContact NE-OE1 3.97Å; R611-E641 PolarHBondContact NE-OE1 2.79Å; R611-E641 IonicContact NE-OE2 3.88Å; R611-E641 PolarHBondContact NE-OE2 3.27Å; R611-E641 IonicContact NH2-OE1 2.75Å; R611-E641 IonicContact NH2-OE2 3.74Å; R611-E641 PolarHBondContact NH2-OE2 2.8Å
612	K	90.2	Very high	86	Confident	113 Å²	113	51.5 Å²	51.5	49%	0.491	24%	0.24	S	C	.	.	H	α-helix	trans	-61.7	-38.6	175.1	-75	168.9	-175.3	168.1	0	111.4	E608 R609 S610 Q615 E616	E608-K612 VanDerWaalsContact O-CG 3.31Å; E608-K612 WeakPolarHBondContact O-CG 3.42Å; E608-K612 PolarHBondContact O-N 2.92Å; R609-K612 WeakPolarHBondContact O-CB 3.4Å; R609-K612 PolarHBondContact O-N 2.99Å; R609-K612 VanDerWaalsContact O-N 3.16Å; S610-K612 VanDerWaalsContact C-N 3.33Å; S610-K612 PolarHBondContact O-N 3.42Å; K612-Q615 WeakPolarHBondContact O-CB 3.39Å; K612-Q615 PolarHBondContact O-N 3.35Å; K612-E616 WeakPolarHBondContact O-CG 3.47Å; K612-E616 PolarHBondContact O-N 2.69Å
613	I	90.1	Very high	85.9	Confident	6 Å²	6	59.7 Å²	59.7	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-64.5	-44.8	175.9	-68.2	154.8	0	0	0	111.2	W557 L560 A561 E564 R609 S610 R611 Q615 E616 A617	W557-I613 HydrophobicContact CE3-CG2 3.82Å; W557-I613 HydrophobicContact CZ3-CG2 4.2Å; L560-I613 HydrophobicContact CB-CG2 4.42Å; L560-I613 HydrophobicContact CD1-CD1 4.25Å; L560-I613 HydrophobicContact CD2-CD1 4.29Å; L560-I613 HydrophobicContact CD2-CG1 4.27Å; L560-I613 HydrophobicContact CD2-CG2 4.07Å; L560-I613 HydrophobicContact CG-CD1 3.78Å; L560-I613 HydrophobicContact CG-CG1 4.26Å; L560-I613 HydrophobicContact CG-CG2 4.06Å; A561-I613 HydrophobicContact CB-CG2 4.08Å; E564-I613 HydrophobicContact CB-CD1 4.04Å; E564-I613 HydrophobicContact CG-CD1 3.21Å; R609-I613 PolarHBondContact O-N 2.99Å; S610-I613 WeakPolarHBondContact O-CA 3.43Å; S610-I613 WeakPolarHBondContact O-CB 3.24Å; S610-I613 PolarHBondContact O-N 2.93Å; R611-I613 VanDerWaalsContact C-N 3.3Å; R611-I613 PolarHBondContact O-N 2.97Å; I613-Q615 VanDerWaalsContact C-N 3.29Å; I613-Q615 PolarHBondContact O-N 3.2Å; I613-E616 PolarHBondContact O-N 2.89Å; I613-A617 VanDerWaalsContact O-CB 3.27Å; I613-A617 WeakPolarHBondContact O-CB 3.41Å; I613-A617 PolarHBondContact O-N 3.43Å
614	Y	90.4	Very high	85.7	Confident	6 Å²	6	58.1 Å²	58.1	2%	0.024	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-40.2	174.3	-79.4	-72.3	0	0	0	112.3	L558 A561 S610 R611 A617 N618 L633 A636 W637 F640	L558-Y614 HydrophobicContact CD2-CE1 3.83Å; A561-Y614 HydrophobicContact CB-CD2 4.09Å; A561-Y614 HydrophobicContact CB-CE1 4.37Å; A561-Y614 HydrophobicContact CB-CE2 3.61Å; S610-Y614 WeakPolarHBondContact O-CD2 3.25Å; S610-Y614 PolarHBondContact O-N 3.43Å; R611-Y614 PolarHBondContact O-N 3.2Å; Y614-A617 PolarHBondContact O-N 3.41Å; Y614-N618 WeakPolarHBondContact O-CB 3.48Å; Y614-N618 PolarHBondContact O-N 3.02Å; Y614-L633 HydrophobicContact CD1-CD1 4.06Å; Y614-L633 HydrophobicContact CD1-CG 4.43Å; Y614-L633 HydrophobicContact CE1-CD1 4.4Å; Y614-A636 HydrophobicContact CE1-CB 4.35Å; Y614-W637 HydrophobicContact CD1-CB 3.55Å; Y614-W637 HydrophobicContact CD1-CD2 4.38Å; Y614-W637 AromaticContact CD1-CG 3.76Å; Y614-W637 HydrophobicContact CD1-CG 3.76Å; Y614-W637 AromaticContact CD2-CD1 3.94Å; Y614-W637 HydrophobicContact CD2-CG 4.37Å; Y614-W637 HydrophobicContact CE1-CB 3.89Å; Y614-W637 HydrophobicContact CE1-CG 4.45Å; Y614-W637 HydrophobicContact CG-CB 4.04Å; Y614-W637 AromaticContact CG-CD1 3.7Å; Y614-W637 HydrophobicContact CG-CD2 4.17Å; Y614-W637 AromaticContact CG-CG 3.71Å; Y614-W637 HydrophobicContact CG-CG 3.71Å; Y614-F640 HydrophobicContact CD2-CD1 4.02Å; Y614-F640 HydrophobicContact CD2-CE1 4.36Å; Y614-F640 HydrophobicContact CD2-CG 4.17Å; Y614-F640 HydrophobicContact CE2-CB 3.82Å; Y614-F640 AromaticContact CE2-CD1 3.9Å; Y614-F640 HydrophobicContact CE2-CD1 3.9Å; Y614-F640 AromaticContact CE2-CD2 3.86Å; Y614-F640 HydrophobicContact CE2-CD2 3.86Å; Y614-F640 HydrophobicContact CE2-CE1 4.46Å; Y614-F640 HydrophobicContact CE2-CE2 4.4Å; Y614-F640 AromaticContact CE2-CG 3.57Å; Y614-F640 HydrophobicContact CE2-CG 3.57Å
615	Q	89.9	Confident	85.4	Confident	84 Å²	84	63.3 Å²	63.3	39%	0.393	29%	0.29	S	S	.	.	H	α-helix	trans	-64.8	-41.9	174.8	-69.4	174.1	5	0	0	112.6	R611 K612 I613 K619 W637	R611-Q615 WeakPolarHBondContact O-CG 3.5Å; R611-Q615 PolarHBondContact O-N 3.23Å; K612-Q615 WeakPolarHBondContact O-CB 3.39Å; K612-Q615 PolarHBondContact O-N 3.35Å; I613-Q615 VanDerWaalsContact C-N 3.29Å; I613-Q615 PolarHBondContact O-N 3.2Å; Q615-K619 WeakPolarHBondContact O-CG 3.41Å; Q615-K619 PolarHBondContact O-N 2.97Å; Q615-K619 VanDerWaalsContact O-N 3.13Å; Q615-W637 HydrophobicContact CB-CH2 4.46Å; Q615-W637 HydrophobicContact CG-CH2 3.67Å; Q615-W637 HydrophobicContact CG-CZ2 3.69Å
616	E	90.2	Very high	85.2	Confident	74 Å²	74	61.6 Å²	61.6	35%	0.346	29%	0.285	S	S	.	.	H	α-helix	trans	-63.4	-46.3	174.3	-75.6	178.4	-167.6	0	0	111.3	R545 W557 K612 I613 N618 K619 A620	R545-E616 IonicContact CZ-OE2 2.81Å; R545-E616 IonicContact NH1-OE2 3.54Å; R545-E616 PolarHBondContact NH1-OE2 3.4Å; R545-E616 IonicContact NH2-OE1 3.52Å; R545-E616 IonicContact NH2-OE2 3.12Å; R545-E616 PolarHBondContact NH2-OE2 2.83Å; W557-E616 HydrophobicContact CH2-CB 4.22Å; W557-E616 HydrophobicContact CZ3-CB 4.09Å; K612-E616 WeakPolarHBondContact O-CG 3.47Å; K612-E616 PolarHBondContact O-N 2.69Å; I613-E616 PolarHBondContact O-N 2.89Å; E616-N618 PolarHBondContact O-N 3.43Å; E616-K619 WeakPolarHBondContact O-CB 3.44Å; E616-K619 PolarHBondContact O-N 2.72Å; E616-A620 PolarHBondContact O-N 2.91Å
617	A	88.6	Confident	85.1	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.8	-44.1	177.9	0	0	0	0	0	111.6	W557 I613 Y614 K619 A620 L621 L633	W557-A617 HydrophobicContact CB-CB 3.83Å; W557-A617 HydrophobicContact CD2-CB 3.51Å; W557-A617 HydrophobicContact CE3-CB 3.65Å; W557-A617 HydrophobicContact CG-CB 3.62Å; W557-A617 HydrophobicContact CZ3-CB 4.35Å; I613-A617 VanDerWaalsContact O-CB 3.27Å; I613-A617 WeakPolarHBondContact O-CB 3.41Å; I613-A617 PolarHBondContact O-N 3.43Å; Y614-A617 PolarHBondContact O-N 3.41Å; A617-K619 VanDerWaalsContact C-N 3.31Å; A617-K619 PolarHBondContact O-N 3.27Å; A617-A620 PolarHBondContact O-N 3.1Å; A617-L621 WeakPolarHBondContact O-CB 3.39Å; A617-L621 WeakPolarHBondContact O-CG 3.39Å; A617-L621 PolarHBondContact O-N 3.22Å; A617-L633 HydrophobicContact CB-CD1 3.6Å; A617-L633 HydrophobicContact CB-CD2 3.68Å; A617-L633 HydrophobicContact CB-CG 4.28Å
618	N	88	Confident	85	Confident	19 Å²	19	69.7 Å²	69.7	10%	0.102	32%	0.321	C	S	.	.	H	α-helix	trans	-66	-34.1	177.7	-175.6	38.4	0	0	0	111.7	Y614 E616 K622 R630 L633 W637	Y614-N618 WeakPolarHBondContact O-CB 3.48Å; Y614-N618 PolarHBondContact O-N 3.02Å; E616-N618 PolarHBondContact O-N 3.43Å; N618-K622 WeakPolarHBondContact O-CB 3.48Å; N618-K622 PolarHBondContact O-N 2.81Å; N618-K622 VanDerWaalsContact O-N 3.08Å; N618-R630 PolarHBondContact OD1-NE 3.28Å; N618-R630 PolarHBondContact OD1-NH2 3.09Å; N618-L633 HydrophobicContact CB-CD2 3.9Å; N618-L633 VanDerWaalsContact N-CD2 3.35Å; N618-W637 HydrophobicContact CB-CE3 4.43Å; N618-W637 HydrophobicContact CB-CZ3 3.87Å
619	K	86.9	Confident	84.9	Confident	151 Å²	151	66.3 Å²	66.3	66%	0.657	31%	0.305	S	S	*	.	H	α-helix	trans	-67.6	-43.6	172.8	-74	173.1	-176.5	173.8	0	111.9	Q615 E616 A617 K622	Q615-K619 WeakPolarHBondContact O-CG 3.41Å; Q615-K619 PolarHBondContact O-N 2.97Å; Q615-K619 VanDerWaalsContact O-N 3.13Å; E616-K619 WeakPolarHBondContact O-CB 3.44Å; E616-K619 PolarHBondContact O-N 2.72Å; A617-K619 VanDerWaalsContact C-N 3.31Å; A617-K619 PolarHBondContact O-N 3.27Å; K619-K622 WeakPolarHBondContact O-CB 3.4Å; K619-K622 PolarHBondContact O-N 3.27Å
620	A	85.6	Confident	85	Confident	32 Å²	32	62.6 Å²	62.6	26%	0.264	29%	0.291	S	S	.	.	H	α-helix	trans	-65.3	-44.9	178.7	0	0	0	0	0	111.7	W557 E616 A617 K622	W557-A620 HydrophobicContact CZ2-CB 4Å; E616-A620 PolarHBondContact O-N 2.91Å; A617-A620 PolarHBondContact O-N 3.1Å; A620-K622 VanDerWaalsContact C-N 3.3Å; A620-K622 PolarHBondContact O-N 3Å
621	L	84.9	Confident	85	Confident	4 Å²	4	62.8 Å²	62.8	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-81.4	-3.8	-178.4	-68.7	166.2	0	0	0	113.8	V554 A617 Y623 A624 Q629 R630 L633	V554-L621 HydrophobicContact CG2-CD1 3.68Å; V554-L621 HydrophobicContact CG2-CD2 4.28Å; A617-L621 WeakPolarHBondContact O-CB 3.39Å; A617-L621 WeakPolarHBondContact O-CG 3.39Å; A617-L621 PolarHBondContact O-N 3.22Å; L621-Y623 PolarHBondContact O-N 3.46Å; L621-A624 HydrophobicContact CD2-CB 3.92Å; L621-A624 PolarHBondContact O-N 2.93Å; L621-Q629 HydrophobicContact CD2-CB 4.21Å; L621-R630 HydrophobicContact CB-CB 4.28Å; L621-R630 HydrophobicContact CB-CG 4.44Å; L621-L633 HydrophobicContact CD1-CB 4.27Å; L621-L633 HydrophobicContact CD1-CD2 4.01Å; L621-L633 HydrophobicContact CD1-CG 4.48Å
622	K	81.5	Confident	84.9	Confident	74 Å²	74	66.6 Å²	66.6	32%	0.322	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-32.5	178.6	-173	170.7	-177	172.1	0	112.7	N618 K619 A620 D684	N618-K622 WeakPolarHBondContact O-CB 3.48Å; N618-K622 PolarHBondContact O-N 2.81Å; N618-K622 VanDerWaalsContact O-N 3.08Å; K619-K622 WeakPolarHBondContact O-CB 3.4Å; K619-K622 PolarHBondContact O-N 3.27Å; A620-K622 VanDerWaalsContact C-N 3.3Å; A620-K622 PolarHBondContact O-N 3Å; K622-D684 PolarHBondContact NZ-O 2.91Å
623	Y	76.8	Confident	84.9	Confident	194 Å²	194	61.3 Å²	61.3	76%	0.761	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	9.7	-177.6	-55	-76.6	0	0	0	113	L621	L621-Y623 PolarHBondContact O-N 3.46Å
624	A	74.6	Confident	84.8	Confident	35 Å²	35	61 Å²	61	29%	0.289	28%	0.282	S	S	.	.			trans	-64.9	140.1	175.3	0	0	0	0	0	109.9	L621 D626	L621-A624 HydrophobicContact CD2-CB 3.92Å; L621-A624 PolarHBondContact O-N 2.93Å; A624-D626 PolarHBondContact O-N 3.43Å
625	E	73.8	Confident	84.7	Confident	201 Å²	201	64.8 Å²	64.8	94%	0.939	30%	0.3	S	S	*	.	S	Bend	trans	-60.3	-39.1	178.3	-65	-179.3	169.2	0	0	111.1	K627	E625-K627 PolarHBondContact O-N 3.39Å
626	D	80	Confident	84.7	Confident	60 Å²	60	61.6 Å²	61.6	32%	0.321	29%	0.288	S	S	.	.			trans	-84.7	97.4	178.9	-174.3	-3.2	0	0	0	110.7	A624 E628 Q629	A624-D626 PolarHBondContact O-N 3.43Å; D626-E628 PolarHBondContact O-N 2.99Å; D626-E628 VanDerWaalsContact OD1-CB 3.3Å; D626-E628 WeakPolarHBondContact OD1-CB 3.38Å; D626-E628 PolarHBondContact OD1-N 2.82Å; D626-Q629 HydrophobicContact CB-CB 4.5Å; D626-Q629 HydrophobicContact CB-CG 4.21Å; D626-Q629 WeakPolarHBondContact O-CB 3.42Å; D626-Q629 PolarHBondContact O-N 3.11Å; D626-Q629 WeakPolarHBondContact OD2-CG 3.37Å; D626-Q629 PolarHBondContact OD2-NE2 3.33Å
627	K	81.5	Confident	84.8	Confident	83 Å²	83	58.7 Å²	58.7	36%	0.361	27%	0.274	S	S	.	.	H	α-helix	trans	-63.6	-28.1	177.5	-66.8	-179	-178.2	179.1	0	112.2	E625 Q629 R630 V631 E679 Y680 F682	E625-K627 PolarHBondContact O-N 3.39Å; K627-Q629 PolarHBondContact O-N 2.88Å; K627-R630 WeakPolarHBondContact O-CB 3.16Å; K627-R630 PolarHBondContact O-N 2.74Å; K627-R630 VanDerWaalsContact O-N 3.12Å; K627-V631 WeakPolarHBondContact O-CG2 3.48Å; K627-V631 PolarHBondContact O-N 3.45Å; K627-V631 VanDerWaalsContact O-N 3.15Å; K627-E679 IonicContact NZ-OE1 3.71Å; K627-E679 PolarHBondContact NZ-OE1 3.01Å; K627-Y680 WeakPolarHBondContact CD-O 3.43Å; K627-Y680 PolarHBondContact NZ-O 3.28Å; K627-F682 HydrophobicContact CB-CE2 4.12Å; K627-F682 HydrophobicContact CD-CE2 4.34Å; K627-F682 HydrophobicContact CG-CE2 4.22Å
628	E	83.5	Confident	84.8	Confident	96 Å²	96	63.4 Å²	63.4	45%	0.449	29%	0.294	S	S	.	.	H	α-helix	trans	-63.5	-33.8	-179.2	-59.8	-169.8	167.1	0	0	111.8	D626 R630 V631 R632 Y680	D626-E628 PolarHBondContact O-N 2.99Å; D626-E628 VanDerWaalsContact OD1-CB 3.3Å; D626-E628 WeakPolarHBondContact OD1-CB 3.38Å; D626-E628 PolarHBondContact OD1-N 2.82Å; E628-R630 VanDerWaalsContact C-N 3.27Å; E628-R630 PolarHBondContact O-N 2.94Å; E628-V631 WeakPolarHBondContact O-CB 3.39Å; E628-V631 PolarHBondContact O-N 3.27Å; E628-V631 VanDerWaalsContact O-N 3.12Å; E628-R632 PolarHBondContact O-N 3.49Å; E628-R632 IonicContact OE2-NH2 3.8Å; E628-R632 PolarHBondContact OE2-NH2 2.84Å; E628-R632 VanDerWaalsContact OE2-NH2 3.13Å; E628-Y680 HydrophobicContact CG-CE2 4.45Å
629	Q	84.7	Confident	84.8	Confident	35 Å²	35	68.7 Å²	68.7	16%	0.164	32%	0.318	C	S	.	.	H	α-helix	trans	-56.9	-44.9	175.2	-83.3	-179.9	46.3	0	0	111.5	V554 L621 D626 K627 V631 L633	V554-Q629 VanDerWaalsContact CG2-C 3.4Å; V554-Q629 HydrophobicContact CG2-CB 3.21Å; V554-Q629 HydrophobicContact CG2-CG 3.54Å; V554-Q629 WeakPolarHBondContact CG2-O 3.48Å; L621-Q629 HydrophobicContact CD2-CB 4.21Å; D626-Q629 HydrophobicContact CB-CB 4.5Å; D626-Q629 HydrophobicContact CB-CG 4.21Å; D626-Q629 WeakPolarHBondContact O-CB 3.42Å; D626-Q629 PolarHBondContact O-N 3.11Å; D626-Q629 WeakPolarHBondContact OD2-CG 3.37Å; D626-Q629 PolarHBondContact OD2-NE2 3.33Å; K627-Q629 PolarHBondContact O-N 2.88Å; Q629-V631 VanDerWaalsContact C-N 3.35Å; Q629-L633 PolarHBondContact O-N 2.83Å; Q629-L633 VanDerWaalsContact O-N 3.15Å
630	R	87	Confident	85	Confident	5 Å²	5	61.8 Å²	61.8	2%	0.019	29%	0.289	C	S	.	.	H	α-helix	trans	-68.2	-34.4	176.6	-170.1	175.1	179.4	-150.7	-12.8	112.3	N618 L621 K627 E628 L633 L634 F682 D684	N618-R630 PolarHBondContact OD1-NE 3.28Å; N618-R630 PolarHBondContact OD1-NH2 3.09Å; L621-R630 HydrophobicContact CB-CB 4.28Å; L621-R630 HydrophobicContact CB-CG 4.44Å; K627-R630 WeakPolarHBondContact O-CB 3.16Å; K627-R630 PolarHBondContact O-N 2.74Å; K627-R630 VanDerWaalsContact O-N 3.12Å; E628-R630 VanDerWaalsContact C-N 3.27Å; E628-R630 PolarHBondContact O-N 2.94Å; R630-L633 PolarHBondContact O-N 2.85Å; R630-L634 HydrophobicContact CG-CD1 4.29Å; R630-L634 WeakPolarHBondContact O-CG 3.42Å; R630-L634 PolarHBondContact O-N 2.84Å; R630-F682 HydrophobicContact CB-CE1 4.38Å; R630-F682 HydrophobicContact CB-CZ 3.97Å; R630-F682 HydrophobicContact CG-CE1 4Å; R630-F682 HydrophobicContact CG-CZ 4.03Å; R630-D684 IonicContact NH2-OD2 2.63Å
631	V	87	Confident	85.1	Confident	5 Å²	5	60.4 Å²	60.4	3%	0.03	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-51.9	175.3	179.8	0	0	0	0	110.6	K627 E628 Q629 L633 L634 E635 P658 Y680 F682	K627-V631 WeakPolarHBondContact O-CG2 3.48Å; K627-V631 PolarHBondContact O-N 3.45Å; K627-V631 VanDerWaalsContact O-N 3.15Å; E628-V631 WeakPolarHBondContact O-CB 3.39Å; E628-V631 PolarHBondContact O-N 3.27Å; E628-V631 VanDerWaalsContact O-N 3.12Å; Q629-V631 VanDerWaalsContact C-N 3.35Å; V631-L633 PolarHBondContact O-N 3.2Å; V631-L634 PolarHBondContact O-N 2.87Å; V631-E635 HydrophobicContact CG1-CG 4.33Å; V631-E635 WeakPolarHBondContact O-CG 3.49Å; V631-E635 PolarHBondContact O-N 3.36Å; V631-P658 HydrophobicContact CG1-CG 4.22Å; V631-P658 HydrophobicContact CG2-CG 4.1Å; V631-Y680 HydrophobicContact CG1-CD1 4.41Å; V631-Y680 HydrophobicContact CG1-CE1 4.01Å; V631-Y680 HydrophobicContact CG2-CD1 3.58Å; V631-Y680 HydrophobicContact CG2-CD2 3.81Å; V631-Y680 HydrophobicContact CG2-CE1 3.89Å; V631-Y680 HydrophobicContact CG2-CE2 4.15Å; V631-Y680 HydrophobicContact CG2-CG 3.52Å; V631-F682 HydrophobicContact CG2-CE1 4.34Å; V631-F682 HydrophobicContact CG2-CZ 3.99Å
632	R	87.5	Confident	85.3	Confident	122 Å²	122	69 Å²	69	46%	0.46	31%	0.31	S	S	.	.	H	α-helix	trans	-58.8	-36.9	178.2	-67.3	-175.3	-168.4	122.7	11.7	112.3	V554 E628 A636	V554-R632 HydrophobicContact CG1-CB 4.27Å; E628-R632 PolarHBondContact O-N 3.49Å; E628-R632 IonicContact OE2-NH2 3.8Å; E628-R632 PolarHBondContact OE2-NH2 2.84Å; E628-R632 VanDerWaalsContact OE2-NH2 3.13Å; R632-A636 WeakPolarHBondContact O-CB 2.76Å; R632-A636 PolarHBondContact O-N 2.97Å; R632-A636 VanDerWaalsContact O-N 3.13Å
633	L	89.6	Confident	85.5	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-63.1	-46.6	173.8	-176.2	83.5	0	0	0	111.7	V554 W557 L558 Y614 A617 N618 L621 Q629 R630 V631 A636 W637	V554-L633 HydrophobicContact CG1-CB 4.23Å; W557-L633 HydrophobicContact CB-CD1 4.27Å; L558-L633 HydrophobicContact CD2-CD1 4.02Å; Y614-L633 HydrophobicContact CD1-CD1 4.06Å; Y614-L633 HydrophobicContact CD1-CG 4.43Å; Y614-L633 HydrophobicContact CE1-CD1 4.4Å; A617-L633 HydrophobicContact CB-CD1 3.6Å; A617-L633 HydrophobicContact CB-CD2 3.68Å; A617-L633 HydrophobicContact CB-CG 4.28Å; N618-L633 HydrophobicContact CB-CD2 3.9Å; N618-L633 VanDerWaalsContact N-CD2 3.35Å; L621-L633 HydrophobicContact CD1-CB 4.27Å; L621-L633 HydrophobicContact CD1-CD2 4.01Å; L621-L633 HydrophobicContact CD1-CG 4.48Å; Q629-L633 PolarHBondContact O-N 2.83Å; Q629-L633 VanDerWaalsContact O-N 3.15Å; R630-L633 PolarHBondContact O-N 2.85Å; V631-L633 PolarHBondContact O-N 3.2Å; L633-A636 PolarHBondContact O-N 3.02Å; L633-W637 WeakPolarHBondContact O-CB 3.18Å; L633-W637 PolarHBondContact O-N 2.92Å
634	L	89	Confident	85.8	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-70.7	-33.2	-177.5	-71.7	172	0	0	0	112.9	R630 V631 W637 K638 L656 Q657 F682	R630-L634 HydrophobicContact CG-CD1 4.29Å; R630-L634 WeakPolarHBondContact O-CG 3.42Å; R630-L634 PolarHBondContact O-N 2.84Å; V631-L634 PolarHBondContact O-N 2.87Å; L634-W637 HydrophobicContact CD2-CE3 4Å; L634-W637 HydrophobicContact CD2-CZ3 4.43Å; L634-K638 WeakPolarHBondContact O-CB 3.43Å; L634-K638 PolarHBondContact O-N 2.68Å; L634-L656 WeakPolarHBondContact CD1-O 3.13Å; L634-L656 HydrophobicContact CD2-CB 4.03Å; L634-L656 HydrophobicContact CD2-CD1 4.43Å; L634-Q657 PolarHBondContact O-NE2 2.92Å; L634-F682 HydrophobicContact CD1-CD1 3.89Å; L634-F682 HydrophobicContact CD1-CE1 3.66Å
635	E	89.1	Confident	86.1	Confident	85 Å²	85	67.1 Å²	67.1	40%	0.397	31%	0.305	S	S	.	.	H	α-helix	trans	-62.8	-51.2	171.4	-72.9	174.7	164.6	0	0	110	V631 W637 K638 E639	V631-E635 HydrophobicContact CG1-CG 4.33Å; V631-E635 WeakPolarHBondContact O-CG 3.49Å; V631-E635 PolarHBondContact O-N 3.36Å; E635-W637 VanDerWaalsContact C-N 3.33Å; E635-W637 PolarHBondContact O-N 3.02Å; E635-K638 WeakPolarHBondContact O-CB 3.44Å; E635-K638 PolarHBondContact O-N 3.4Å; E635-K638 VanDerWaalsContact O-N 3.14Å; E635-E639 PolarHBondContact O-N 3.01Å
636	A	89.4	Confident	86.6	Confident	17 Å²	17	61.7 Å²	61.7	14%	0.14	29%	0.286	C	S	.	.	H	α-helix	trans	-64.4	-34.3	176.7	0	0	0	0	0	113.2	L558 Y614 R632 L633 K638 E639 F640	L558-A636 HydrophobicContact CD1-CB 4.36Å; L558-A636 HydrophobicContact CD2-CB 3.44Å; L558-A636 VanDerWaalsContact CD2-CB 3.44Å; Y614-A636 HydrophobicContact CE1-CB 4.35Å; R632-A636 WeakPolarHBondContact O-CB 2.76Å; R632-A636 PolarHBondContact O-N 2.97Å; R632-A636 VanDerWaalsContact O-N 3.13Å; L633-A636 PolarHBondContact O-N 3.02Å; A636-K638 VanDerWaalsContact C-N 3.34Å; A636-E639 PolarHBondContact O-N 3Å; A636-F640 WeakPolarHBondContact O-CB 3.44Å; A636-F640 PolarHBondContact O-N 3.02Å
637	W	91.2	Very high	86.8	Confident	14 Å²	14	64.9 Å²	64.9	5%	0.053	30%	0.299	C	S	.	.	H	α-helix	trans	-69	-34.7	175.1	-169.1	7.3	0	0	0	111.5	Y614 Q615 N618 L633 L634 E635 F640 E641 V653 L656	Y614-W637 HydrophobicContact CD1-CB 3.55Å; Y614-W637 HydrophobicContact CD1-CD2 4.38Å; Y614-W637 AromaticContact CD1-CG 3.76Å; Y614-W637 HydrophobicContact CD1-CG 3.76Å; Y614-W637 AromaticContact CD2-CD1 3.94Å; Y614-W637 HydrophobicContact CD2-CG 4.37Å; Y614-W637 HydrophobicContact CE1-CB 3.89Å; Y614-W637 HydrophobicContact CE1-CG 4.45Å; Y614-W637 HydrophobicContact CG-CB 4.04Å; Y614-W637 AromaticContact CG-CD1 3.7Å; Y614-W637 HydrophobicContact CG-CD2 4.17Å; Y614-W637 AromaticContact CG-CG 3.71Å; Y614-W637 HydrophobicContact CG-CG 3.71Å; Q615-W637 HydrophobicContact CB-CH2 4.46Å; Q615-W637 HydrophobicContact CG-CH2 3.67Å; Q615-W637 HydrophobicContact CG-CZ2 3.69Å; N618-W637 HydrophobicContact CB-CE3 4.43Å; N618-W637 HydrophobicContact CB-CZ3 3.87Å; L633-W637 WeakPolarHBondContact O-CB 3.18Å; L633-W637 PolarHBondContact O-N 2.92Å; L634-W637 HydrophobicContact CD2-CE3 4Å; L634-W637 HydrophobicContact CD2-CZ3 4.43Å; E635-W637 VanDerWaalsContact C-N 3.33Å; E635-W637 PolarHBondContact O-N 3.02Å; W637-F640 PolarHBondContact O-N 2.72Å; W637-E641 PolarHBondContact NE1-OE1 2.89Å; W637-E641 PolarHBondContact O-N 2.8Å; W637-V653 HydrophobicContact CB-CG1 4.49Å; W637-V653 HydrophobicContact CD2-CG1 4.45Å; W637-V653 HydrophobicContact CD2-CG2 3.83Å; W637-V653 HydrophobicContact CE3-CG2 4.46Å; W637-V653 HydrophobicContact CG-CG1 4.32Å; W637-V653 HydrophobicContact CG-CG2 4.11Å; W637-V653 HydrophobicContact CZ2-CG2 3.95Å; W637-L656 HydrophobicContact CH2-CD1 4.1Å; W637-L656 HydrophobicContact CZ3-CD1 3.79Å
638	K	88.9	Confident	87.1	Confident	98 Å²	98	68.2 Å²	68.2	43%	0.426	31%	0.313	S	S	.	.	H	α-helix	trans	-64.8	-44.9	174.2	-175.1	-179.8	178.6	170.1	0	111.3	L634 E635 A636 F640 E641 Y642 V653 D654	L634-K638 WeakPolarHBondContact O-CB 3.43Å; L634-K638 PolarHBondContact O-N 2.68Å; E635-K638 WeakPolarHBondContact O-CB 3.44Å; E635-K638 PolarHBondContact O-N 3.4Å; E635-K638 VanDerWaalsContact O-N 3.14Å; A636-K638 VanDerWaalsContact C-N 3.34Å; K638-F640 VanDerWaalsContact C-N 3.34Å; K638-E641 PolarHBondContact O-N 2.98Å; K638-Y642 WeakPolarHBondContact O-CB 3.03Å; K638-Y642 PolarHBondContact O-N 3.33Å; K638-V653 HydrophobicContact CB-CG1 4.12Å; K638-D654 WeakPolarHBondContact CE-OD1 3.35Å; K638-D654 IonicContact NZ-OD1 3.51Å; K638-D654 PolarHBondContact NZ-OD1 2.96Å
639	E	89.3	Confident	87.2	Confident	130 Å²	130	65.1 Å²	65.1	61%	0.607	30%	0.301	S	S	*	.	H	α-helix	trans	-59.4	-45.6	174.4	-69.4	173.6	175.2	0	0	111	E635 A636 E641 Y642 E643	E635-E639 PolarHBondContact O-N 3.01Å; A636-E639 PolarHBondContact O-N 3Å; E639-E641 PolarHBondContact O-N 3.33Å; E639-Y642 WeakPolarHBondContact O-CB 3.45Å; E639-Y642 PolarHBondContact O-N 3.26Å; E639-E643 PolarHBondContact O-N 2.75Å; E639-E643 VanDerWaalsContact O-N 3.09Å
640	F	89.3	Confident	87.3	Confident	7 Å²	7	66.1 Å²	66.1	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-58.9	-46.5	176.1	172.4	-94.9	0	0	0	113.7	L565 V607 S610 R611 Y614 A636 W637 K638 Y642 E643 Y644	L565-F640 HydrophobicContact CD1-CD2 3.86Å; L565-F640 HydrophobicContact CD1-CE2 3.74Å; L565-F640 HydrophobicContact CD2-CE2 3.65Å; L565-F640 HydrophobicContact CD2-CZ 4.46Å; L565-F640 HydrophobicContact CG-CE2 3.98Å; V607-F640 HydrophobicContact CG1-CE1 4.47Å; V607-F640 HydrophobicContact CG1-CZ 3.9Å; S610-F640 WeakPolarHBondContact OG-CE2 3.45Å; R611-F640 HydrophobicContact CB-CE1 4.05Å; R611-F640 HydrophobicContact CB-CZ 4.5Å; Y614-F640 HydrophobicContact CD2-CD1 4.02Å; Y614-F640 HydrophobicContact CD2-CE1 4.36Å; Y614-F640 HydrophobicContact CD2-CG 4.17Å; Y614-F640 HydrophobicContact CE2-CB 3.82Å; Y614-F640 AromaticContact CE2-CD1 3.9Å; Y614-F640 HydrophobicContact CE2-CD1 3.9Å; Y614-F640 AromaticContact CE2-CD2 3.86Å; Y614-F640 HydrophobicContact CE2-CD2 3.86Å; Y614-F640 HydrophobicContact CE2-CE1 4.46Å; Y614-F640 HydrophobicContact CE2-CE2 4.4Å; Y614-F640 AromaticContact CE2-CG 3.57Å; Y614-F640 HydrophobicContact CE2-CG 3.57Å; A636-F640 WeakPolarHBondContact O-CB 3.44Å; A636-F640 PolarHBondContact O-N 3.02Å; W637-F640 PolarHBondContact O-N 2.72Å; K638-F640 VanDerWaalsContact C-N 3.34Å; F640-Y642 VanDerWaalsContact C-N 3.31Å; F640-E643 PolarHBondContact O-N 3.2Å; F640-Y644 AromaticContact CD2-CD2 3.87Å; F640-Y644 HydrophobicContact CD2-CD2 3.87Å; F640-Y644 HydrophobicContact CD2-CE2 4.39Å; F640-Y644 AromaticContact CE2-CD2 3.9Å; F640-Y644 HydrophobicContact CE2-CD2 3.9Å; F640-Y644 PolarHBondContact O-N 3.01Å
641	E	89.3	Confident	87.4	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.009	33%	0.33	C	S	.	.	H	α-helix	trans	-74.2	-22.9	177.6	-65.7	-65.8	169	0	0	112.6	R611 W637 K638 E639 E643 G645 T649 Q650 V653	R611-E641 WeakPolarHBondContact CD-OE1 3.34Å; R611-E641 WeakPolarHBondContact CG-OE1 3.46Å; R611-E641 IonicContact CZ-OE1 2.65Å; R611-E641 IonicContact CZ-OE2 3.79Å; R611-E641 IonicContact NE-OE1 3.97Å; R611-E641 PolarHBondContact NE-OE1 2.79Å; R611-E641 IonicContact NE-OE2 3.88Å; R611-E641 PolarHBondContact NE-OE2 3.27Å; R611-E641 IonicContact NH2-OE1 2.75Å; R611-E641 IonicContact NH2-OE2 3.74Å; R611-E641 PolarHBondContact NH2-OE2 2.8Å; W637-E641 PolarHBondContact NE1-OE1 2.89Å; W637-E641 PolarHBondContact O-N 2.8Å; K638-E641 PolarHBondContact O-N 2.98Å; E639-E641 PolarHBondContact O-N 3.33Å; E641-E643 VanDerWaalsContact C-N 3.33Å; E641-G645 WeakPolarHBondContact O-CA 3.3Å; E641-G645 PolarHBondContact O-N 3.12Å; E641-G645 WeakPolarHBondContact OE2-CA 3.5Å; E641-T649 WeakPolarHBondContact OE2-CB 3.35Å; E641-T649 PolarHBondContact OE2-OG1 3.35Å; E641-Q650 HydrophobicContact CB-CG 4.08Å; E641-Q650 WeakPolarHBondContact O-CG 3.49Å; E641-Q650 PolarHBondContact O-NE2 3.35Å; E641-V653 HydrophobicContact CG-CG2 3.75Å
642	Y	88.2	Confident	87.3	Confident	185 Å²	185	76 Å²	76	73%	0.725	35%	0.348	S	S	*	.	H	α-helix	trans	-66	-39.5	171.2	-177	-99.4	0	0	0	111	K638 E639 F640	K638-Y642 WeakPolarHBondContact O-CB 3.03Å; K638-Y642 PolarHBondContact O-N 3.33Å; E639-Y642 WeakPolarHBondContact O-CB 3.45Å; E639-Y642 PolarHBondContact O-N 3.26Å; F640-Y642 VanDerWaalsContact C-N 3.31Å
643	E	85.6	Confident	87.2	Confident	135 Å²	135	70.4 Å²	70.4	63%	0.631	33%	0.327	S	S	*	.	H	α-helix	trans	-79	-46.5	179.7	-68.6	-177.5	176.9	0	0	113.8	E639 F640 E641	E639-E643 PolarHBondContact O-N 2.75Å; E639-E643 VanDerWaalsContact O-N 3.09Å; F640-E643 PolarHBondContact O-N 3.2Å; E641-E643 VanDerWaalsContact C-N 3.33Å
644	Y	83.2	Confident	87	Confident	108 Å²	108	74 Å²	74	42%	0.424	35%	0.346	S	S	.	.	H	α-helix	trans	-117.6	-4.1	-170.7	-55.7	-81.8	0	0	0	114.5	L565 V607 F640	L565-Y644 HydrophobicContact CD1-CE2 4.19Å; L565-Y644 HydrophobicContact CD2-CE2 4.46Å; V607-Y644 HydrophobicContact CG2-CD1 3.79Å; V607-Y644 HydrophobicContact CG2-CG 3.93Å; F640-Y644 AromaticContact CD2-CD2 3.87Å; F640-Y644 HydrophobicContact CD2-CD2 3.87Å; F640-Y644 HydrophobicContact CD2-CE2 4.39Å; F640-Y644 AromaticContact CE2-CD2 3.9Å; F640-Y644 HydrophobicContact CE2-CD2 3.9Å; F640-Y644 PolarHBondContact O-N 3.01Å
645	G	80	Confident	86.9	Confident	21 Å²	21	80.1 Å²	80.1	22%	0.216	37%	0.373	C	S	.	.			trans	-85.3	167.8	-173.6	0	0	0	0	0	114.1	E641 T649	E641-G645 WeakPolarHBondContact O-CA 3.3Å; E641-G645 PolarHBondContact O-N 3.12Å; E641-G645 WeakPolarHBondContact OE2-CA 3.5Å; G645-T649 WeakPolarHBondContact CA-OG1 3.4Å
646	T	85	Confident	86.7	Confident	86 Å²	86	77.5 Å²	77.5	53%	0.528	36%	0.362	S	S	.	.			trans	-93.2	161.5	165.8	59.9	0	0	0	0	109	K648 T649 Q650	T646-K648 PolarHBondContact O-N 3.12Å; T646-T649 PolarHBondContact N-OG1 3.03Å; T646-T649 PolarHBondContact O-N 3.33Å; T646-T649 PolarHBondContact O-OG1 3.33Å; T646-T649 PolarHBondContact OG1-N 3.36Å; T646-Q650 WeakPolarHBondContact O-CG 3.34Å; T646-Q650 PolarHBondContact O-N 3.15Å
647	E	84.8	Confident	86.4	Confident	127 Å²	127	78.7 Å²	78.7	59%	0.593	36%	0.364	S	S	*	.	H	α-helix	trans	-52	-29.1	173.8	-65.2	-172	173.5	0	0	112.9	R651	E647-R651 WeakPolarHBondContact O-CB 3.31Å; E647-R651 WeakPolarHBondContact O-CG 3.26Å; E647-R651 PolarHBondContact O-N 3.38Å; E647-R651 VanDerWaalsContact O-N 3.09Å; E647-R651 IonicContact OE2-CZ 3.87Å; E647-R651 IonicContact OE2-NH1 2.75Å; E647-R651 IonicContact OE2-NH2 2.86Å; E647-R651 PolarHBondContact OE2-NH2 3.04Å
648	K	87.1	Confident	86.1	Confident	154 Å²	154	79.1 Å²	79.1	67%	0.67	37%	0.369	S	S	*	.	H	α-helix	trans	-71.3	-45.7	178.9	-148.8	-179.4	-175.1	-177	0	111.3	T646 R651 D652	T646-K648 PolarHBondContact O-N 3.12Å; K648-R651 PolarHBondContact O-N 3.16Å; K648-D652 VanDerWaalsContact O-CG 3.3Å; K648-D652 PolarHBondContact O-N 3.33Å; K648-D652 VanDerWaalsContact O-N 3.08Å
649	T	86.2	Confident	85.6	Confident	31 Å²	31	80.4 Å²	80.4	19%	0.19	38%	0.377	C	S	.	.	H	α-helix	trans	-70.4	-37.3	178.8	58.4	0	0	0	0	111.7	E641 G645 T646 D652 V653	E641-T649 WeakPolarHBondContact OE2-CB 3.35Å; E641-T649 PolarHBondContact OE2-OG1 3.35Å; G645-T649 WeakPolarHBondContact CA-OG1 3.4Å; T646-T649 PolarHBondContact N-OG1 3.03Å; T646-T649 PolarHBondContact O-N 3.33Å; T646-T649 PolarHBondContact O-OG1 3.33Å; T646-T649 PolarHBondContact OG1-N 3.36Å; T649-D652 PolarHBondContact O-N 3.47Å; T649-V653 PolarHBondContact O-N 3.04Å
650	Q	87	Confident	85.3	Confident	56 Å²	56	80.7 Å²	80.7	26%	0.262	38%	0.376	S	S	.	.	H	α-helix	trans	-58.4	-50.1	171.9	-70	173.7	1.1	0	0	111.6	E641 T646 D652 V653 D654	E641-Q650 HydrophobicContact CB-CG 4.08Å; E641-Q650 WeakPolarHBondContact O-CG 3.49Å; E641-Q650 PolarHBondContact O-NE2 3.35Å; T646-Q650 WeakPolarHBondContact O-CG 3.34Å; T646-Q650 PolarHBondContact O-N 3.15Å; Q650-D652 PolarHBondContact O-N 3.43Å; Q650-V653 PolarHBondContact O-N 3.47Å; Q650-D654 WeakPolarHBondContact O-CB 3.38Å; Q650-D654 PolarHBondContact O-N 2.88Å
651	R	87.7	Confident	84.7	Confident	139 Å²	139	82.5 Å²	82.5	53%	0.525	39%	0.387	S	S	.	.	H	α-helix	trans	-59.6	-34.7	176.1	-76.1	174.2	-166.5	129.5	7.7	112.7	E647 K648 K655	E647-R651 WeakPolarHBondContact O-CB 3.31Å; E647-R651 WeakPolarHBondContact O-CG 3.26Å; E647-R651 PolarHBondContact O-N 3.38Å; E647-R651 VanDerWaalsContact O-N 3.09Å; E647-R651 IonicContact OE2-CZ 3.87Å; E647-R651 IonicContact OE2-NH1 2.75Å; E647-R651 IonicContact OE2-NH2 2.86Å; E647-R651 PolarHBondContact OE2-NH2 3.04Å; K648-R651 PolarHBondContact O-N 3.16Å; R651-K655 VanDerWaalsContact O-CG 3.3Å; R651-K655 WeakPolarHBondContact O-CG 3.27Å; R651-K655 PolarHBondContact O-N 3.45Å
652	D	86.2	Confident	84.3	Confident	78 Å²	78	87.8 Å²	87.8	42%	0.417	42%	0.415	S	S	.	.	H	α-helix	trans	-72.3	-37.8	179.4	-71.8	-21.6	0	0	0	111.7	K648 T649 Q650 K655 L656	K648-D652 VanDerWaalsContact O-CG 3.3Å; K648-D652 PolarHBondContact O-N 3.33Å; K648-D652 VanDerWaalsContact O-N 3.08Å; T649-D652 PolarHBondContact O-N 3.47Å; Q650-D652 PolarHBondContact O-N 3.43Å; D652-K655 IonicContact OD1-NZ 3.69Å; D652-K655 PolarHBondContact OD1-NZ 2.78Å; D652-L656 WeakPolarHBondContact O-CG 3.44Å
653	V	85.7	Confident	83.8	Confident	4 Å²	4	83 Å²	83	2%	0.024	40%	0.395	C	S	.	.	H	α-helix	trans	-70.9	-37.2	172.7	175.1	0	0	0	0	112	W637 K638 E641 T649 Q650 K655 L656	W637-V653 HydrophobicContact CB-CG1 4.49Å; W637-V653 HydrophobicContact CD2-CG1 4.45Å; W637-V653 HydrophobicContact CD2-CG2 3.83Å; W637-V653 HydrophobicContact CE3-CG2 4.46Å; W637-V653 HydrophobicContact CG-CG1 4.32Å; W637-V653 HydrophobicContact CG-CG2 4.11Å; W637-V653 HydrophobicContact CZ2-CG2 3.95Å; K638-V653 HydrophobicContact CB-CG1 4.12Å; E641-V653 HydrophobicContact CG-CG2 3.75Å; T649-V653 PolarHBondContact O-N 3.04Å; Q650-V653 PolarHBondContact O-N 3.47Å; V653-K655 VanDerWaalsContact C-N 3.25Å; V653-K655 PolarHBondContact O-N 3.37Å; V653-L656 WeakPolarHBondContact O-CB 3.39Å; V653-L656 PolarHBondContact O-N 3.04Å
654	D	85.8	Confident	83.4	Confident	76 Å²	76	79.7 Å²	79.7	41%	0.406	39%	0.387	S	S	.	.	H	α-helix	trans	-61.5	-33.1	176.6	-82.8	-29.1	0	0	0	112.5	K638 Q650 L656 Q657	K638-D654 WeakPolarHBondContact CE-OD1 3.35Å; K638-D654 IonicContact NZ-OD1 3.51Å; K638-D654 PolarHBondContact NZ-OD1 2.96Å; Q650-D654 WeakPolarHBondContact O-CB 3.38Å; Q650-D654 PolarHBondContact O-N 2.88Å; D654-L656 PolarHBondContact O-N 3.01Å; D654-Q657 WeakPolarHBondContact O-CB 3.31Å; D654-Q657 WeakPolarHBondContact O-CG 3.4Å; D654-Q657 PolarHBondContact O-N 3.19Å
655	K	85.9	Confident	83	Confident	130 Å²	130	80.7 Å²	80.7	57%	0.565	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-24.9	173.9	-70.9	165.8	-162.9	160	0	113.4	R651 D652 V653 Q657 P683	R651-K655 VanDerWaalsContact O-CG 3.3Å; R651-K655 WeakPolarHBondContact O-CG 3.27Å; R651-K655 PolarHBondContact O-N 3.45Å; D652-K655 IonicContact OD1-NZ 3.69Å; D652-K655 PolarHBondContact OD1-NZ 2.78Å; V653-K655 VanDerWaalsContact C-N 3.25Å; V653-K655 PolarHBondContact O-N 3.37Å; K655-Q657 VanDerWaalsContact C-N 3.32Å; K655-P683 WeakPolarHBondContact O-CG 3.37Å
656	L	84.6	Confident	82.6	Confident	30 Å²	30	85.3 Å²	85.3	16%	0.157	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-7.7	-179.2	-55.4	173.6	0	0	0	112.3	L634 W637 D652 V653 D654 D684	L634-L656 WeakPolarHBondContact CD1-O 3.13Å; L634-L656 HydrophobicContact CD2-CB 4.03Å; L634-L656 HydrophobicContact CD2-CD1 4.43Å; W637-L656 HydrophobicContact CH2-CD1 4.1Å; W637-L656 HydrophobicContact CZ3-CD1 3.79Å; D652-L656 WeakPolarHBondContact O-CG 3.44Å; V653-L656 WeakPolarHBondContact O-CB 3.39Å; V653-L656 PolarHBondContact O-N 3.04Å; D654-L656 PolarHBondContact O-N 3.01Å; L656-D684 VanDerWaalsContact CD2-CG 3.45Å; L656-D684 WeakPolarHBondContact CD2-OD1 3.32Å; L656-D684 WeakPolarHBondContact CD2-OD2 3.41Å
657	Q	83.1	Confident	81.6	Confident	41 Å²	41	85.3 Å²	85.3	19%	0.192	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-62.2	135.6	-173.6	-68.9	-64.9	-37.4	0	0	111.6	L634 D654 K655 P683	L634-Q657 PolarHBondContact O-NE2 2.92Å; D654-Q657 WeakPolarHBondContact O-CB 3.31Å; D654-Q657 WeakPolarHBondContact O-CG 3.4Å; D654-Q657 PolarHBondContact O-N 3.19Å; K655-Q657 VanDerWaalsContact C-N 3.32Å; Q657-P683 WeakPolarHBondContact O-CD 3.48Å
658	P	84.7	Confident	81	Confident	24 Å²	24	82.2 Å²	82.2	16%	0.156	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-72.1	148.5	-179.4	30.1	-33.9	0	0	0	111.4	V631 Y680 T681 F682	V631-P658 HydrophobicContact CG1-CG 4.22Å; V631-P658 HydrophobicContact CG2-CG 4.1Å; P658-Y680 HydrophobicContact CB-CD1 4.01Å; P658-Y680 HydrophobicContact CG-CD1 4.15Å; P658-T681 CarbonylContact C-O 3.6Å; P658-T681 VanDerWaalsContact CA-O 3.29Å; P658-T681 WeakPolarHBondContact CA-O 3.4Å; P658-F682 HydrophobicContact CB-CD1 3.83Å; P658-F682 HydrophobicContact CB-CE1 3.67Å; P658-F682 HydrophobicContact CB-CZ 4.33Å; P658-F682 HydrophobicContact CG-CE1 4.15Å
659	Q	78.7	Confident	79.6	Confident	124 Å²	124	81.7 Å²	81.7	58%	0.579	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.4	165.2	-66.2	-178.2	-8.8	0	0	109.1	V661 T681	Q659-V661 PolarHBondContact O-N 2.92Å; Q659-T681 PolarHBondContact N-O 2.86Å; Q659-T681 PolarHBondContact O-N 3.4Å; Q659-T681 PolarHBondContact O-OG1 3.07Å
660	K	82.6	Confident	78.4	Confident	136 Å²	136	88 Å²	88	59%	0.591	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	112.1	172.6	-69.7	179.6	179.4	178.8	0	108.2	I678 Y680	K660-I678 HydrophobicContact CB-CG2 4.26Å; K660-I678 HydrophobicContact CG-CG2 4.29Å; K660-Y680 HydrophobicContact CD-CE1 4.14Å; K660-Y680 HydrophobicContact CG-CD1 3.97Å; K660-Y680 HydrophobicContact CG-CE1 3.53Å
661	V	78.5	Confident	76.9	Confident	45 Å²	45	97.4 Å²	97.4	27%	0.273	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	113.9	174.6	-175.4	0	0	0	0	107.7	Q659 R663 E679 T681	Q659-V661 PolarHBondContact O-N 2.92Å; V661-R663 HydrophobicContact CG1-CG 3.98Å; V661-R663 PolarHBondContact O-N 3.07Å; V661-E679 PolarHBondContact N-O 3.29Å; V661-E679 PolarHBondContact O-N 3.4Å; V661-T681 HydrophobicContact CG2-CG2 4.02Å
662	I	80.8	Confident	75.7	Confident	114 Å²	114	93.5 Å²	93.5	59%	0.585	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	116.7	171.9	-56.4	171.9	0	0	0	106.6	E676	I662-E676 HydrophobicContact CG2-CB 3.97Å; I662-E676 HydrophobicContact CG2-CG 4.31Å
663	R	77.2	Confident	74.9	Confident	84 Å²	84	92.2 Å²	92.2	32%	0.317	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.9	174.2	-69.2	-168.6	-179.4	167.8	0.2	108.2	V661 E676 Y677 E679 E688	V661-R663 HydrophobicContact CG1-CG 3.98Å; V661-R663 PolarHBondContact O-N 3.07Å; R663-E676 WeakPolarHBondContact O-CA 3.44Å; R663-Y677 HydrophobicContact CB-CD1 4.43Å; R663-Y677 HydrophobicContact CB-CE1 3.77Å; R663-Y677 HydrophobicContact CB-CE2 4.18Å; R663-Y677 PolarHBondContact N-O 3.38Å; R663-Y677 WeakPolarHBondContact O-CD1 3.35Å; R663-Y677 WeakPolarHBondContact O-CE1 3.46Å; R663-Y677 PolarHBondContact O-N 2.98Å; R663-Y677 VanDerWaalsContact O-O 3.13Å; R663-E679 VanDerWaalsContact CD-OE2 3.23Å; R663-E679 WeakPolarHBondContact CD-OE2 3.41Å; R663-E679 IonicContact CZ-OE2 3.05Å; R663-E679 IonicContact NE-OE2 3.78Å; R663-E679 PolarHBondContact NE-OE2 3Å; R663-E679 VanDerWaalsContact NH1-CD 3.31Å; R663-E679 IonicContact NH1-OE1 2.91Å; R663-E679 IonicContact NH1-OE2 2.75Å; R663-E679 PolarHBondContact NH1-OE2 3.05Å; R663-E688 IonicContact NH2-OE1 2.83Å; R663-E688 PolarHBondContact NH2-OE1 3.08Å; R663-E688 VanDerWaalsContact NH2-OE1 3.12Å
664	S	76.6	Confident	74.4	Confident	65 Å²	65	100 Å²	100	46%	0.455	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	118	172.9	55.8	0	0	0	0	109.2	E675	S664-E675 CarbonylContact C-O 3.56Å; S664-E675 WeakPolarHBondContact CA-O 3.43Å
665	R	76	Confident	74	Confident	129 Å²	129	99.8 Å²	99.8	49%	0.487	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	147.7	166	69.8	176.7	-170.3	-178.3	0.9	109.6	E675 Y677	R665-E675 HydrophobicContact CG-CB 4.12Å; R665-E675 IonicContact CZ-OE2 3.17Å; R665-E675 PolarHBondContact N-O 2.92Å; R665-E675 IonicContact NE-OE2 3.4Å; R665-E675 PolarHBondContact NE-OE2 2.9Å; R665-E675 IonicContact NH2-OE1 3.38Å; R665-E675 IonicContact NH2-OE2 2.61Å; R665-E675 PolarHBondContact NH2-OE2 3.37Å; R665-E675 PolarHBondContact O-N 3.06Å; R665-Y677 HydrophobicContact CB-CD1 4.15Å; R665-Y677 HydrophobicContact CB-CE1 3.7Å; R665-Y677 HydrophobicContact CG-CD1 4Å; R665-Y677 HydrophobicContact CG-CE1 4.05Å
666	R	70.2	Confident	73.7	Confident	119 Å²	119	100.6 Å²	100.6	45%	0.449	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	124.1	171.7	-159.2	176.8	-176.3	174.3	5.9	108.9	G668 E670 W674	R666-G668 PolarHBondContact O-N 2.84Å; R666-G668 VanDerWaalsContact O-N 3.1Å; R666-E670 PolarHBondContact NH2-O 3.44Å; R666-W674 HydrophobicContact CB-CE3 4.24Å; R666-W674 HydrophobicContact CB-CH2 4.5Å; R666-W674 HydrophobicContact CB-CZ3 4.14Å
667	L	64.8	Low	73.4	Confident	86 Å²	86	103.4 Å²	103.4	45%	0.45	50%	0.504	S	S	.	.			trans	-80.5	76.8	177.9	-93.5	160.1	0	0	0	110.7	S672 G673 E675	L667-S672 WeakPolarHBondContact O-CB 3.34Å; L667-S672 PolarHBondContact O-OG 3.34Å; L667-G673 PolarHBondContact N-O 3.41Å; L667-E675 HydrophobicContact CD1-CB 3.6Å; L667-E675 HydrophobicContact CD1-CG 4.12Å; L667-E675 WeakPolarHBondContact CD1-OE2 3.29Å; L667-E675 HydrophobicContact CG-CB 4.08Å
668	G	72.2	Confident	73.1	Confident	62 Å²	62	106 Å²	106	64%	0.639	52%	0.518	S	S	*	.	S	Bend	trans	82.7	-144.5	174.1	0	0	0	0	0	115.2	R666	R666-G668 PolarHBondContact O-N 2.84Å; R666-G668 VanDerWaalsContact O-N 3.1Å
669	D	58.3	Low	72.8	Confident	143 Å²	143	106.4 Å²	106.4	77%	0.765	52%	0.518	S	S	*	.	S	Bend	trans	-69.2	167.3	-167.7	-96.6	-12	0	0	0	114	R671 S672	D669-R671 PolarHBondContact O-N 3.27Å; D669-S672 PolarHBondContact O-N 2.82Å
670	E	59.3	Low	72.9	Confident	164 Å²	164	102.1 Å²	102.1	77%	0.766	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-13.7	-157.9	-67.6	-177.4	155	0	0	117.7	R666	R666-E670 PolarHBondContact NH2-O 3.44Å
671	R	56.1	Low	72.5	Confident	253 Å²	253	96.1 Å²	96.1	96%	0.955	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-13.3	179.8	-71.5	-178.2	177.9	-176.9	-2	115.3	D669	D669-R671 PolarHBondContact O-N 3.27Å
672	S	63.3	Low	72.5	Confident	56 Å²	56	94.4 Å²	94.4	39%	0.392	46%	0.461	S	S	.	.	S	Bend	trans	-82.8	141.7	-177.5	-55.4	0	0	0	0	111.5	L667 D669	L667-S672 WeakPolarHBondContact O-CB 3.34Å; L667-S672 PolarHBondContact O-OG 3.34Å; D669-S672 PolarHBondContact O-N 2.82Å
673	G	69.5	Low	72.1	Confident	52 Å²	52	91.7 Å²	91.7	54%	0.536	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-61.4	171	-178.2	0	0	0	0	0	114.4	L667	L667-G673 PolarHBondContact N-O 3.41Å
674	W	74.3	Confident	71.9	Confident	167 Å²	167	90.2 Å²	90.2	63%	0.633	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.7	172.2	-66.3	90.3	0	0	0	108.8	R666	R666-W674 HydrophobicContact CB-CE3 4.24Å; R666-W674 HydrophobicContact CB-CH2 4.5Å; R666-W674 HydrophobicContact CB-CZ3 4.14Å
675	E	77.2	Confident	71.3	Confident	72 Å²	72	89.5 Å²	89.5	34%	0.336	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.4	170.3	-168	-177	-177.4	0	0	108.8	S664 R665 L667	S664-E675 CarbonylContact C-O 3.56Å; S664-E675 WeakPolarHBondContact CA-O 3.43Å; R665-E675 HydrophobicContact CG-CB 4.12Å; R665-E675 IonicContact CZ-OE2 3.17Å; R665-E675 PolarHBondContact N-O 2.92Å; R665-E675 IonicContact NE-OE2 3.4Å; R665-E675 PolarHBondContact NE-OE2 2.9Å; R665-E675 IonicContact NH2-OE1 3.38Å; R665-E675 IonicContact NH2-OE2 2.61Å; R665-E675 PolarHBondContact NH2-OE2 3.37Å; R665-E675 PolarHBondContact O-N 3.06Å; L667-E675 HydrophobicContact CD1-CB 3.6Å; L667-E675 HydrophobicContact CD1-CG 4.12Å; L667-E675 WeakPolarHBondContact CD1-OE2 3.29Å; L667-E675 HydrophobicContact CG-CB 4.08Å
676	E	81.1	Confident	70.3	Confident	147 Å²	147	88.9 Å²	88.9	69%	0.687	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	119.5	170.1	-64	-171.9	168.7	0	0	109.3	I662 R663	I662-E676 HydrophobicContact CG2-CB 3.97Å; I662-E676 HydrophobicContact CG2-CG 4.31Å; R663-E676 WeakPolarHBondContact O-CA 3.44Å
677	Y	76.5	Confident	69.6	Low	88 Å²	88	87.6 Å²	87.6	35%	0.345	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	148.7	172.1	68.9	-80	0	0	0	110	R663 R665 E679	R663-Y677 HydrophobicContact CB-CD1 4.43Å; R663-Y677 HydrophobicContact CB-CE1 3.77Å; R663-Y677 HydrophobicContact CB-CE2 4.18Å; R663-Y677 PolarHBondContact N-O 3.38Å; R663-Y677 WeakPolarHBondContact O-CD1 3.35Å; R663-Y677 WeakPolarHBondContact O-CE1 3.46Å; R663-Y677 PolarHBondContact O-N 2.98Å; R663-Y677 VanDerWaalsContact O-O 3.13Å; R665-Y677 HydrophobicContact CB-CD1 4.15Å; R665-Y677 HydrophobicContact CB-CE1 3.7Å; R665-Y677 HydrophobicContact CG-CD1 4Å; R665-Y677 HydrophobicContact CG-CE1 4.05Å; Y677-E679 HydrophobicContact CD2-CB 4.4Å; Y677-E679 HydrophobicContact CE2-CB 4Å; Y677-E679 PolarHBondContact O-N 3.43Å
678	I	77.6	Confident	69.1	Low	95 Å²	95	86 Å²	86	49%	0.487	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	113.1	178.7	-58.3	172.5	0	0	0	107.8	K660 Y680	K660-I678 HydrophobicContact CB-CG2 4.26Å; K660-I678 HydrophobicContact CG-CG2 4.29Å; I678-Y680 HydrophobicContact CG2-CD2 4.48Å; I678-Y680 HydrophobicContact CG2-CE1 4.3Å; I678-Y680 HydrophobicContact CG2-CE2 4.02Å
679	E	78.8	Confident	68.4	Low	34 Å²	34	89 Å²	89	16%	0.159	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	123.7	168.9	-169.9	169.4	175.1	0	0	110.4	K627 V661 R663 Y677	K627-E679 IonicContact NZ-OE1 3.71Å; K627-E679 PolarHBondContact NZ-OE1 3.01Å; V661-E679 PolarHBondContact N-O 3.29Å; V661-E679 PolarHBondContact O-N 3.4Å; R663-E679 VanDerWaalsContact CD-OE2 3.23Å; R663-E679 WeakPolarHBondContact CD-OE2 3.41Å; R663-E679 IonicContact CZ-OE2 3.05Å; R663-E679 IonicContact NE-OE2 3.78Å; R663-E679 PolarHBondContact NE-OE2 3Å; R663-E679 VanDerWaalsContact NH1-CD 3.31Å; R663-E679 IonicContact NH1-OE1 2.91Å; R663-E679 IonicContact NH1-OE2 2.75Å; R663-E679 PolarHBondContact NH1-OE2 3.05Å; Y677-E679 HydrophobicContact CD2-CB 4.4Å; Y677-E679 HydrophobicContact CE2-CB 4Å; Y677-E679 PolarHBondContact O-N 3.43Å
680	Y	80.2	Confident	68.3	Low	33 Å²	33	86.8 Å²	86.8	13%	0.129	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	124.7	173.1	-63.8	-82.8	0	0	0	110.3	K627 E628 V631 P658 K660 I678	K627-Y680 WeakPolarHBondContact CD-O 3.43Å; K627-Y680 PolarHBondContact NZ-O 3.28Å; E628-Y680 HydrophobicContact CG-CE2 4.45Å; V631-Y680 HydrophobicContact CG1-CD1 4.41Å; V631-Y680 HydrophobicContact CG1-CE1 4.01Å; V631-Y680 HydrophobicContact CG2-CD1 3.58Å; V631-Y680 HydrophobicContact CG2-CD2 3.81Å; V631-Y680 HydrophobicContact CG2-CE1 3.89Å; V631-Y680 HydrophobicContact CG2-CE2 4.15Å; V631-Y680 HydrophobicContact CG2-CG 3.52Å; P658-Y680 HydrophobicContact CB-CD1 4.01Å; P658-Y680 HydrophobicContact CG-CD1 4.15Å; K660-Y680 HydrophobicContact CD-CE1 4.14Å; K660-Y680 HydrophobicContact CG-CD1 3.97Å; K660-Y680 HydrophobicContact CG-CE1 3.53Å; I678-Y680 HydrophobicContact CG2-CD2 4.48Å; I678-Y680 HydrophobicContact CG2-CE1 4.3Å; I678-Y680 HydrophobicContact CG2-CE2 4.02Å
681	T	75.2	Confident	68.3	Low	10 Å²	10	83.4 Å²	83.4	6%	0.061	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.1	171.2	60.4	0	0	0	0	109.7	P658 Q659 V661 E688	P658-T681 CarbonylContact C-O 3.6Å; P658-T681 VanDerWaalsContact CA-O 3.29Å; P658-T681 WeakPolarHBondContact CA-O 3.4Å; Q659-T681 PolarHBondContact N-O 2.86Å; Q659-T681 PolarHBondContact O-N 3.4Å; Q659-T681 PolarHBondContact O-OG1 3.07Å; V661-T681 HydrophobicContact CG2-CG2 4.02Å; T681-E688 WeakPolarHBondContact CG2-OE2 3.32Å
682	F	77.9	Confident	68.4	Low	10 Å²	10	74.3 Å²	74.3	4%	0.044	40%	0.398	C	S	.	.			trans	-103.7	135.9	-178.3	-60	-85.5	0	0	0	110.1	K627 R630 V631 L634 P658 D684 T685	K627-F682 HydrophobicContact CB-CE2 4.12Å; K627-F682 HydrophobicContact CD-CE2 4.34Å; K627-F682 HydrophobicContact CG-CE2 4.22Å; R630-F682 HydrophobicContact CB-CE1 4.38Å; R630-F682 HydrophobicContact CB-CZ 3.97Å; R630-F682 HydrophobicContact CG-CE1 4Å; R630-F682 HydrophobicContact CG-CZ 4.03Å; V631-F682 HydrophobicContact CG2-CE1 4.34Å; V631-F682 HydrophobicContact CG2-CZ 3.99Å; L634-F682 HydrophobicContact CD1-CD1 3.89Å; L634-F682 HydrophobicContact CD1-CE1 3.66Å; P658-F682 HydrophobicContact CB-CD1 3.83Å; P658-F682 HydrophobicContact CB-CE1 3.67Å; P658-F682 HydrophobicContact CB-CZ 4.33Å; P658-F682 HydrophobicContact CG-CE1 4.15Å; F682-D684 VanDerWaalsContact C-N 3.26Å; F682-D684 PolarHBondContact O-N 2.89Å; F682-T685 HydrophobicContact CB-CG2 4.4Å; F682-T685 PolarHBondContact O-N 3.34Å; F682-T685 PolarHBondContact O-OG1 2.9Å
683	P	72.4	Confident	68.4	Low	57 Å²	57	78.9 Å²	78.9	37%	0.37	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-31.5	-179.3	-29.4	38.4	0	0	0	114.9	K655 Q657	K655-P683 WeakPolarHBondContact O-CG 3.37Å; Q657-P683 WeakPolarHBondContact O-CD 3.48Å
684	D	71.9	Confident	68.2	Low	53 Å²	53	81.8 Å²	81.8	28%	0.283	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	4.4	-172.2	-18.1	-57.9	0	0	0	114.4	K622 R630 L656 F682	K622-D684 PolarHBondContact NZ-O 2.91Å; R630-D684 IonicContact NH2-OD2 2.63Å; L656-D684 VanDerWaalsContact CD2-CG 3.45Å; L656-D684 WeakPolarHBondContact CD2-OD1 3.32Å; L656-D684 WeakPolarHBondContact CD2-OD2 3.41Å; F682-D684 VanDerWaalsContact C-N 3.26Å; F682-D684 PolarHBondContact O-N 2.89Å
685	T	65.2	Low	67.8	Low	49 Å²	49	79 Å²	79	30%	0.301	41%	0.41	S	S	.	.			trans	-95.2	100.6	173	46.6	0	0	0	0	108.4	F682 A687	F682-T685 HydrophobicContact CB-CG2 4.4Å; F682-T685 PolarHBondContact O-N 3.34Å; F682-T685 PolarHBondContact O-OG1 2.9Å; T685-A687 PolarHBondContact O-N 2.76Å
686	D	53.6	Low	67.4	Low	117 Å²	117	79.5 Å²	79.5	63%	0.626	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-56.6	0	-172.1	-81.9	-45.9	0	0	0	116.8	E688 K689	D686-E688 PolarHBondContact O-N 2.88Å; D686-K689 VanDerWaalsContact OD1-CE 3.26Å; D686-K689 WeakPolarHBondContact OD1-CE 3.3Å; D686-K689 IonicContact OD1-NZ 3.53Å; D686-K689 PolarHBondContact OD1-NZ 3.2Å
687	A	56.2	Low	67.1	Low	92 Å²	92	78.1 Å²	78.1	76%	0.76	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-79.9	-13.7	-167	0	0	0	0	0	115.6	T685	T685-A687 PolarHBondContact O-N 2.76Å
688	E	54.1	Low	67	Low	51 Å²	51	76.4 Å²	76.4	24%	0.238	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-118.9	11.8	-172.1	-67.4	-171	150.2	0	0	115.4	R663 T681 D686 P690 N691 Q692	R663-E688 IonicContact NH2-OE1 2.83Å; R663-E688 PolarHBondContact NH2-OE1 3.08Å; R663-E688 VanDerWaalsContact NH2-OE1 3.12Å; T681-E688 WeakPolarHBondContact CG2-OE2 3.32Å; D686-E688 PolarHBondContact O-N 2.88Å; E688-P690 VanDerWaalsContact C-N 3.35Å; E688-P690 VanDerWaalsContact O-N 3.14Å; E688-N691 PolarHBondContact O-N 3.26Å; E688-Q692 HydrophobicContact CB-CG 4.44Å; E688-Q692 PolarHBondContact O-N 3.31Å
689	K	57.5	Low	66.9	Low	125 Å²	125	74.7 Å²	74.7	54%	0.543	42%	0.417	S	S	.	.	H	α-helix	trans	-52.9	-32.5	-176.3	-79.2	176.3	171.1	167.7	0	116.6	D686	D686-K689 VanDerWaalsContact OD1-CE 3.26Å; D686-K689 WeakPolarHBondContact OD1-CE 3.3Å; D686-K689 IonicContact OD1-NZ 3.53Å; D686-K689 PolarHBondContact OD1-NZ 3.2Å
690	P	56.5	Low	66.8	Low	97 Å²	97	81.8 Å²	81.8	63%	0.63	44%	0.443	S	S	*	.	H	α-helix	trans	-68.8	-37.5	175	-16.7	30.3	0	0	0	112.3	E688	E688-P690 VanDerWaalsContact C-N 3.35Å; E688-P690 VanDerWaalsContact O-N 3.14Å
691	N	58.8	Low	66.8	Low	94 Å²	94	87.8 Å²	87.8	50%	0.503	47%	0.465	S	S	.	.	H	α-helix	trans	-83.8	-31.6	-173.5	-68.4	-11	0	0	0	112.1	E688 K693 L694 L695	E688-N691 PolarHBondContact O-N 3.26Å; N691-K693 VanDerWaalsContact C-N 3.34Å; N691-K693 PolarHBondContact O-N 3.3Å; N691-L694 WeakPolarHBondContact O-CB 3.35Å; N691-L694 PolarHBondContact O-N 2.84Å; N691-L694 VanDerWaalsContact O-N 3.16Å; N691-L695 WeakPolarHBondContact O-CB 3.4Å; N691-L695 WeakPolarHBondContact O-CG 3.29Å; N691-L695 PolarHBondContact O-N 3.45Å
692	Q	59.1	Low	66.9	Low	61 Å²	61	89.7 Å²	89.7	29%	0.285	48%	0.482	S	S	.	.	H	α-helix	trans	-62.5	-37	177.8	-76.1	-178.1	-5.6	0	0	113.1	E688 L695 T696	E688-Q692 HydrophobicContact CB-CG 4.44Å; E688-Q692 PolarHBondContact O-N 3.31Å; Q692-L695 PolarHBondContact O-N 3.36Å; Q692-T696 WeakPolarHBondContact O-CB 3.23Å; Q692-T696 VanDerWaalsContact O-CG2 3.31Å; Q692-T696 WeakPolarHBondContact O-CG2 3.04Å; Q692-T696 PolarHBondContact O-N 2.99Å; Q692-T696 PolarHBondContact O-OG1 2.92Å
693	K	63.5	Low	67	Low	153 Å²	153	94.6 Å²	94.6	67%	0.665	51%	0.505	S	S	*	.	H	α-helix	trans	-66.1	-39.2	174.5	-74.5	-174.8	179.8	178.5	0	111.9	N691 T696 M697	N691-K693 VanDerWaalsContact C-N 3.34Å; N691-K693 PolarHBondContact O-N 3.3Å; K693-T696 WeakPolarHBondContact CA-OG1 3.4Å; K693-T696 PolarHBondContact O-OG1 3.42Å; K693-M697 WeakPolarHBondContact O-CB 3.47Å; K693-M697 WeakPolarHBondContact O-CE 3.37Å; K693-M697 VanDerWaalsContact O-CG 3.23Å; K693-M697 WeakPolarHBondContact O-CG 3.47Å; K693-M697 PolarHBondContact O-N 2.61Å
694	L	64.1	Low	67.3	Low	112 Å²	112	97.6 Å²	97.6	59%	0.586	51%	0.514	S	S	*	.	H	α-helix	trans	-66.6	-45.4	175.3	-93.9	156.7	0	0	0	111.8	N691 M697 A698	N691-L694 WeakPolarHBondContact O-CB 3.35Å; N691-L694 PolarHBondContact O-N 2.84Å; N691-L694 VanDerWaalsContact O-N 3.16Å; L694-M697 HydrophobicContact CD2-CE 4.46Å; L694-M697 HydrophobicContact CG-CE 4.4Å; L694-M697 PolarHBondContact O-N 3.4Å; L694-A698 WeakPolarHBondContact O-CB 3.35Å; L694-A698 PolarHBondContact O-N 3.1Å
695	L	65.6	Low	67.6	Low	108 Å²	108	99.1 Å²	99.1	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-65.7	-40.2	178.2	-76.2	163.7	0	0	0	112.2	N691 Q692 A698 A699	N691-L695 WeakPolarHBondContact O-CB 3.4Å; N691-L695 WeakPolarHBondContact O-CG 3.29Å; N691-L695 PolarHBondContact O-N 3.45Å; Q692-L695 PolarHBondContact O-N 3.36Å; L695-A698 PolarHBondContact O-N 3.45Å; L695-A699 WeakPolarHBondContact O-CB 3.48Å; L695-A699 PolarHBondContact O-N 3.28Å
696	T	69.5	Low	68.2	Low	84 Å²	84	103.8 Å²	103.8	52%	0.515	54%	0.539	S	S	.	.	H	α-helix	trans	-68.2	-35.6	174.9	47.4	0	0	0	0	112.4	Q692 K693 R700	Q692-T696 WeakPolarHBondContact O-CB 3.23Å; Q692-T696 VanDerWaalsContact O-CG2 3.31Å; Q692-T696 WeakPolarHBondContact O-CG2 3.04Å; Q692-T696 PolarHBondContact O-N 2.99Å; Q692-T696 PolarHBondContact O-OG1 2.92Å; K693-T696 WeakPolarHBondContact CA-OG1 3.4Å; K693-T696 PolarHBondContact O-OG1 3.42Å; T696-R700 PolarHBondContact O-N 2.91Å
697	M	74.7	Confident	69.4	Low	117 Å²	117	107 Å²	107	58%	0.576	54%	0.542	S	S	*	.	H	α-helix	trans	-66.8	-39.6	170.3	-74.1	-173.1	-66.4	0	0	111.8	K693 L694 R700 W701	K693-M697 WeakPolarHBondContact O-CB 3.47Å; K693-M697 WeakPolarHBondContact O-CE 3.37Å; K693-M697 VanDerWaalsContact O-CG 3.23Å; K693-M697 WeakPolarHBondContact O-CG 3.47Å; K693-M697 PolarHBondContact O-N 2.61Å; L694-M697 HydrophobicContact CD2-CE 4.46Å; L694-M697 HydrophobicContact CG-CE 4.4Å; L694-M697 PolarHBondContact O-N 3.4Å; M697-R700 PolarHBondContact O-N 3.28Å; M697-W701 WeakPolarHBondContact O-CB 3.4Å; M697-W701 PolarHBondContact O-N 2.88Å
698	A	75.1	Confident	70.4	Confident	52 Å²	52	109.5 Å²	109.5	43%	0.43	54%	0.536	S	S	.	.	H	α-helix	trans	-66.2	-41.8	176.5	0	0	0	0	0	112	L694 L695 W701 A702	L694-A698 WeakPolarHBondContact O-CB 3.35Å; L694-A698 PolarHBondContact O-N 3.1Å; L695-A698 PolarHBondContact O-N 3.45Å; A698-W701 WeakPolarHBondContact O-CB 3.45Å; A698-W701 PolarHBondContact O-N 3.13Å; A698-A702 WeakPolarHBondContact O-CB 3.32Å; A698-A702 PolarHBondContact O-N 2.89Å
699	A	74.6	Confident	71.4	Confident	60 Å²	60	113.7 Å²	113.7	50%	0.496	55%	0.553	S	S	.	*	H	α-helix	trans	-62.8	-45.4	174.6	0	0	0	0	0	111.5	L695 W701 A702 E703	L695-A699 WeakPolarHBondContact O-CB 3.48Å; L695-A699 PolarHBondContact O-N 3.28Å; A699-W701 VanDerWaalsContact C-N 3.26Å; A699-W701 PolarHBondContact O-N 3.29Å; A699-A702 PolarHBondContact O-N 3.45Å; A699-E703 WeakPolarHBondContact O-CB 3.47Å; A699-E703 PolarHBondContact O-N 3.26Å
700	R	77.9	Confident	72.3	Confident	183 Å²	183	110.6 Å²	110.6	69%	0.691	55%	0.551	S	S	*	*	H	α-helix	trans	-60.9	-35.9	172.9	-82.8	-177.1	175	173.1	-0	112.6	T696 M697 Q704	T696-R700 PolarHBondContact O-N 2.91Å; M697-R700 PolarHBondContact O-N 3.28Å; R700-Q704 WeakPolarHBondContact O-CB 3.28Å; R700-Q704 VanDerWaalsContact O-CG 3.28Å; R700-Q704 WeakPolarHBondContact O-CG 3.4Å; R700-Q704 PolarHBondContact O-N 2.92Å
701	W	79.1	Confident	73.1	Confident	159 Å²	159	108.9 Å²	108.9	60%	0.602	55%	0.545	S	S	*	.	H	α-helix	trans	-69.4	-43.7	176.2	-174.9	81.1	0	0	0	111.4	M697 A698 A699 Q704 M705	M697-W701 WeakPolarHBondContact O-CB 3.4Å; M697-W701 PolarHBondContact O-N 2.88Å; A698-W701 WeakPolarHBondContact O-CB 3.45Å; A698-W701 PolarHBondContact O-N 3.13Å; A699-W701 VanDerWaalsContact C-N 3.26Å; A699-W701 PolarHBondContact O-N 3.29Å; W701-Q704 PolarHBondContact O-N 3.42Å; W701-M705 HydrophobicContact CD2-CG 4Å; W701-M705 HydrophobicContact CE3-CG 4.19Å; W701-M705 HydrophobicContact CH2-CE 3.89Å; W701-M705 HydrophobicContact CH2-CG 4.18Å; W701-M705 HydrophobicContact CZ2-CE 3.65Å; W701-M705 HydrophobicContact CZ2-CG 3.98Å; W701-M705 HydrophobicContact CZ2-SD 4.11Å; W701-M705 HydrophobicContact CZ3-CG 4.28Å; W701-M705 VanDerWaalsContact O-CG 3.23Å; W701-M705 WeakPolarHBondContact O-CG 3.23Å; W701-M705 PolarHBondContact O-N 3.08Å
702	A	77.5	Confident	73.5	Confident	49 Å²	49	107.8 Å²	107.8	41%	0.405	55%	0.549	S	S	.	.	H	α-helix	trans	-60.9	-45.9	175.3	0	0	0	0	0	111.9	A698 A699 Q704 M705 E706	A698-A702 WeakPolarHBondContact O-CB 3.32Å; A698-A702 PolarHBondContact O-N 2.89Å; A699-A702 PolarHBondContact O-N 3.45Å; A702-Q704 VanDerWaalsContact C-N 3.32Å; A702-Q704 PolarHBondContact O-N 3.19Å; A702-M705 PolarHBondContact O-N 3.47Å; A702-E706 PolarHBondContact O-N 2.85Å
703	E	79.7	Confident	73.7	Confident	113 Å²	113	110.6 Å²	110.6	53%	0.528	56%	0.562	S	S	.	*	H	α-helix	trans	-63.2	-37.1	176.8	-164.2	-175.7	-173.8	0	0	111.8	A699 R707	A699-E703 WeakPolarHBondContact O-CB 3.47Å; A699-E703 PolarHBondContact O-N 3.26Å; E703-R707 WeakPolarHBondContact O-CB 3.46Å; E703-R707 WeakPolarHBondContact O-CG 3.36Å; E703-R707 PolarHBondContact O-N 3.49Å
704	Q	79.2	Confident	73.5	Confident	120 Å²	120	107.3 Å²	107.3	56%	0.561	56%	0.563	S	S	*	*	H	α-helix	trans	-67	-36.6	171.8	-79.8	-177.4	2.3	0	0	112.7	R700 W701 A702 K708	R700-Q704 WeakPolarHBondContact O-CB 3.28Å; R700-Q704 VanDerWaalsContact O-CG 3.28Å; R700-Q704 WeakPolarHBondContact O-CG 3.4Å; R700-Q704 PolarHBondContact O-N 2.92Å; W701-Q704 PolarHBondContact O-N 3.42Å; A702-Q704 VanDerWaalsContact C-N 3.32Å; A702-Q704 PolarHBondContact O-N 3.19Å; Q704-K708 WeakPolarHBondContact O-CG 3.35Å; Q704-K708 PolarHBondContact O-N 3.22Å
705	M	77.7	Confident	73	Confident	86 Å²	86	110.9 Å²	110.9	42%	0.424	58%	0.577	S	S	.	*	H	α-helix	trans	-71.1	-40.9	178.1	-69.3	-65.9	-93.7	0	0	111.2	W701 A702 K708 K709	W701-M705 HydrophobicContact CD2-CG 4Å; W701-M705 HydrophobicContact CE3-CG 4.19Å; W701-M705 HydrophobicContact CH2-CE 3.89Å; W701-M705 HydrophobicContact CH2-CG 4.18Å; W701-M705 HydrophobicContact CZ2-CE 3.65Å; W701-M705 HydrophobicContact CZ2-CG 3.98Å; W701-M705 HydrophobicContact CZ2-SD 4.11Å; W701-M705 HydrophobicContact CZ3-CG 4.28Å; W701-M705 VanDerWaalsContact O-CG 3.23Å; W701-M705 WeakPolarHBondContact O-CG 3.23Å; W701-M705 PolarHBondContact O-N 3.08Å; A702-M705 PolarHBondContact O-N 3.47Å; M705-K708 PolarHBondContact O-N 3.28Å; M705-K709 WeakPolarHBondContact O-CB 3.31Å; M705-K709 PolarHBondContact O-N 3.4Å
706	E	78	Confident	72.2	Confident	146 Å²	146	108.7 Å²	108.7	68%	0.682	58%	0.58	S	S	*	*	H	α-helix	trans	-61.4	-45.6	171.2	-83.1	-163.7	153.4	0	0	111.9	A702 K708 K709 A710	A702-E706 PolarHBondContact O-N 2.85Å; E706-K708 VanDerWaalsContact C-N 3.28Å; E706-K708 PolarHBondContact O-N 3.41Å; E706-K709 PolarHBondContact O-N 3.05Å; E706-K709 VanDerWaalsContact O-N 3.11Å; E706-A710 WeakPolarHBondContact O-CB 3.37Å; E706-A710 PolarHBondContact O-N 2.75Å
707	R	79	Confident	70.8	Confident	185 Å²	185	113.5 Å²	113.5	70%	0.698	59%	0.594	S	S	*	*	H	α-helix	trans	-59.4	-38.4	175.2	-83.6	-177.2	166.1	-174.9	-1.9	112.7	E703 A711	E703-R707 WeakPolarHBondContact O-CB 3.46Å; E703-R707 WeakPolarHBondContact O-CG 3.36Å; E703-R707 PolarHBondContact O-N 3.49Å; R707-A711 WeakPolarHBondContact O-CB 3.44Å; R707-A711 PolarHBondContact O-N 3.42Å
708	K	77.8	Confident	69	Low	145 Å²	145	117 Å²	117	63%	0.63	61%	0.609	S	S	*	*	H	α-helix	trans	-67.9	-39.7	174.4	-80.2	-177.9	177.7	-178.8	0	112.2	Q704 M705 E706 A711 A712	Q704-K708 WeakPolarHBondContact O-CG 3.35Å; Q704-K708 PolarHBondContact O-N 3.22Å; M705-K708 PolarHBondContact O-N 3.28Å; E706-K708 VanDerWaalsContact C-N 3.28Å; E706-K708 PolarHBondContact O-N 3.41Å; K708-A711 PolarHBondContact O-N 2.82Å; K708-A712 WeakPolarHBondContact O-CB 3.43Å; K708-A712 PolarHBondContact O-N 2.91Å
709	K	75.5	Confident	67.2	Low	139 Å²	139	121.7 Å²	121.7	60%	0.604	63%	0.627	S	S	*	*	H	α-helix	trans	-65.4	-45	177.8	-148.9	-179	180	-168.2	0	110.7	M705 E706 A711 A712 E713	M705-K709 WeakPolarHBondContact O-CB 3.31Å; M705-K709 PolarHBondContact O-N 3.4Å; E706-K709 PolarHBondContact O-N 3.05Å; E706-K709 VanDerWaalsContact O-N 3.11Å; K709-A711 PolarHBondContact O-N 3.25Å; K709-A712 PolarHBondContact O-N 3.36Å; K709-E713 WeakPolarHBondContact O-CB 3.43Å; K709-E713 WeakPolarHBondContact O-CG 3.45Å; K709-E713 PolarHBondContact O-N 3.05Å
710	A	74.7	Confident	65.3	Low	60 Å²	60	124.3 Å²	124.3	50%	0.496	64%	0.641	S	S	.	*	H	α-helix	trans	-62.3	-37.6	174.2	0	0	0	0	0	112.9	E706 A714	E706-A710 WeakPolarHBondContact O-CB 3.37Å; E706-A710 PolarHBondContact O-N 2.75Å; A710-A714 WeakPolarHBondContact O-CB 3.41Å; A710-A714 PolarHBondContact O-N 3.46Å
711	A	73.5	Confident	63	Low	61 Å²	61	123.3 Å²	123.3	50%	0.504	65%	0.65	S	S	.	*	H	α-helix	trans	-69.6	-37.6	175.7	0	0	0	0	0	112.9	R707 K708 K709 A714	R707-A711 WeakPolarHBondContact O-CB 3.44Å; R707-A711 PolarHBondContact O-N 3.42Å; K708-A711 PolarHBondContact O-N 2.82Å; K709-A711 PolarHBondContact O-N 3.25Å; A711-A714 PolarHBondContact O-N 3.19Å
712	A	68.8	Low	60.8	Low	70 Å²	70	120.5 Å²	120.5	58%	0.579	66%	0.655	S	S	*	*	H	α-helix	trans	-72.4	-34	176.7	0	0	0	0	0	112.6	K708 K709 A714	K708-A712 WeakPolarHBondContact O-CB 3.43Å; K708-A712 PolarHBondContact O-N 2.91Å; K709-A712 PolarHBondContact O-N 3.36Å; A712-A714 VanDerWaalsContact C-N 3.3Å
713	E	62.9	Low	58.6	Low	121 Å²	121	122.9 Å²	122.9	57%	0.565	67%	0.668	S	S	*	*	H	α-helix	trans	-72.3	-22.8	175.2	-74.9	171.7	-175.8	0	0	112.5	K709	K709-E713 WeakPolarHBondContact O-CB 3.43Å; K709-E713 WeakPolarHBondContact O-CG 3.45Å; K709-E713 PolarHBondContact O-N 3.05Å
714	A	59.2	Low	56.5	Low	83 Å²	83	126.9 Å²	126.9	69%	0.686	69%	0.687	S	S	*	*	H	α-helix	trans	-78.8	-22.3	177.7	0	0	0	0	0	114.9	A710 A711 A712	A710-A714 WeakPolarHBondContact O-CB 3.41Å; A710-A714 PolarHBondContact O-N 3.46Å; A711-A714 PolarHBondContact O-N 3.19Å; A712-A714 VanDerWaalsContact C-N 3.3Å
715	E	52.2	Low	54.1	Low	188 Å²	188	130 Å²	130	88%	0.879	70%	0.701	S	S	*	*	S	Bend	trans	-91.5	-7.5	179	-79	-174.2	165.2	0	0	114.1
716	G	49	Very low	51.8	Low	61 Å²	61	131 Å²	131	63%	0.629	72%	0.717	S	S	*	*	S	Bend	trans	-115.1	1.6	-165.3	0	0	0	0	0	118.1
717	K	40.9	Very low	49.5	Very low	186 Å²	186	132.5 Å²	132.5	81%	0.809	72%	0.724	S	S	*	*			trans	-141.1	61.5	-171.5	-76.4	-178.6	175.7	175.9	0	113.5
718	E	36.6	Very low	47	Very low	189 Å²	189	131.9 Å²	131.9	88%	0.883	73%	0.729	S	S	*	*			trans	-82.9	101.2	140.8	-75.9	-176.8	164.1	0	0	105.7
719	D	37.2	Very low	44.6	Very low	151 Å²	151	131.8 Å²	131.8	81%	0.807	73%	0.73	S	S	*	*			trans	154	131.1	154.2	-79.7	-26.7	0	0	0	111.7
720	S	34	Very low	42.3	Very low	115 Å²	115	132.6 Å²	132.6	80%	0.804	74%	0.736	S	S	*	*			trans	70.5	88.5	162.7	65.5	0	0	0	0	119.4
721	D	29.5	Very low	40.2	Very low	162 Å²	162	136.7 Å²	136.7	87%	0.866	75%	0.745	S	S	*	*				0.2	126.8	111.6	-144.6	7.7	0	0	0	117.4
722	S	34	Very low	38.1	Very low	101 Å²	101	141 Å²	141	71%	0.706	76%	0.755	S	S	*	*				155.3	124.3	127	69.5	0	0	0	0	113.9
723	S	32	Very low	36.3	Very low	98 Å²	98	145.1 Å²	145.1	69%	0.685	76%	0.762	S	S	*	*			trans	44	128.1	138.7	62.4	0	0	0	0	121.5
724	E	33.9	Very low	34.7	Very low	197 Å²	197	146.1 Å²	146.1	92%	0.921	77%	0.771	S	S	*	*				-168.7	126.3	123.4	-102.8	158.8	-166.6	0	0	111.2
725	E	28.9	Very low	33.5	Very low	186 Å²	186	148.8 Å²	148.8	87%	0.869	77%	0.774	S	S	*	*			trans	-81.9	-176.3	169.3	-67.7	175.6	147	0	0	110.9
726	S	30.7	Very low	32.7	Very low	107 Å²	107	145.8 Å²	145.8	75%	0.748	76%	0.764	S	S	*	*			trans	85.4	111.9	170.2	65.4	0	0	0	0	115.6
727	E	28.1	Very low	31.8	Very low	178 Å²	178	151.9 Å²	151.9	83%	0.832	78%	0.776	S	S	*	*				82.9	152.5	73	-78.8	-176.7	174.1	0	0	112.3
728	E	28.5	Very low	31.3	Very low	171 Å²	171	146.6 Å²	146.6	80%	0.799	77%	0.774	S	S	*	*			trans	82.2	142.9	171.7	-60.9	174	-170.3	0	0	115.7
729	E	27.4	Very low	31	Very low	143 Å²	143	145.4 Å²	145.4	67%	0.668	77%	0.774	S	S	*	*			cis	179.5	158.4	-16.5	-117.4	170.9	-176.4	0	0	104.1
730	E	27.2	Very low	31	Very low	156 Å²	156	147.6 Å²	147.6	73%	0.729	78%	0.78	S	S	*	*			trans	67.8	141.5	150.5	-65.8	174.1	172.3	0	0	117
731	E	28.9	Very low	30.8	Very low	146 Å²	146	149.7 Å²	149.7	68%	0.682	78%	0.781	S	S	*	*				175.1	133.2	64.5	-123.4	157.2	-148	0	0	105.2
732	E	29.1	Very low	30.8	Very low	153 Å²	153	148.9 Å²	148.9	72%	0.715	78%	0.777	S	S	*	*				73.8	143.7	112.3	-70.1	-175.5	175	0	0	114.6
733	E	31.1	Very low	30.7	Very low	156 Å²	156	152.1 Å²	152.1	73%	0.729	79%	0.787	S	S	*	*			cis	-171	154.3	17	-124.3	173.9	175.3	0	0	109
734	D	30.8	Very low	30.6	Very low	141 Å²	141	159.3 Å²	159.3	75%	0.754	80%	0.799	S	S	*	*			trans	3.1	140.5	155.8	-70.6	-30	0	0	0	122.9
735	D	33	Very low	30.6	Very low	139 Å²	139	157.1 Å²	157.1	74%	0.743	79%	0.792	S	S	*	*				-173.5	123.3	111.2	-99	-24.1	0	0	0	115.8
736	L	34.9	Very low	30.6	Very low	126 Å²	126	153.6 Å²	153.6	66%	0.66	79%	0.785	S	S	*	*			trans	75.3	102.4	133.5	-62.6	164	0	0	0	123.5
737	Q	31	Very low	30.6	Very low	188 Å²	188	158.1 Å²	158.1	88%	0.879	79%	0.794	S	S	*	*				58.7	121.4	120.3	-77.7	169.4	-12.1	0	0	122.2
738	G	30.8	Very low	30.8	Very low	76 Å²	76	159.8 Å²	159.8	78%	0.784	79%	0.793	S	S	*	*			trans	175.1	107.6	156.4	0	0	0	0	0	112.4
739	D	29.2	Very low	31.1	Very low	163 Å²	163	159.2 Å²	159.2	87%	0.872	79%	0.79	S	S	*	*			trans	-50.1	141.4	-177.7	-58	-55.4	0	0	0	115.4
740	E	37.1	Very low	31.5	Very low	198 Å²	198	156 Å²	156	93%	0.925	78%	0.782	S	S	*	*			trans	-179.5	119.9	130.6	-97.7	171.6	-163.5	0	0	112.5
741	D	30.8	Very low	32	Very low	158 Å²	158	151.2 Å²	151.2	85%	0.845	76%	0.764	S	S	*	*			trans	-65.1	156.3	-174.8	-84	-45.5	0	0	0	115.9
742	D	28.6	Very low	32.5	Very low	146 Å²	146	152.2 Å²	152.2	78%	0.781	76%	0.761	S	S	*	*			trans	63.3	95.9	150.4	-89.9	-16.7	0	0	0	117.9
743	N	31.9	Very low	32.8	Very low	169 Å²	169	148.6 Å²	148.6	90%	0.904	74%	0.743	S	S	*	*			trans	178.9	43.4	138.5	-87.7	-37.2	0	0	0	115.3
744	R	30.3	Very low	33.3	Very low	248 Å²	248	145.1 Å²	145.1	94%	0.936	73%	0.73	S	S	*	*			trans	-122	80.6	167.1	-134.5	175.4	-171.5	-176.6	2.2	110.5
745	I	34	Very low	33.9	Very low	151 Å²	151	145 Å²	145	77%	0.774	72%	0.718	S	S	*	*			trans	-74.1	122.9	164.4	-58.9	172.7	0	0	0	106.1	E747	I745-E747 PolarHBondContact O-N 2.8Å
746	P	28.7	Very low	34.4	Very low	112 Å²	112	141.9 Å²	141.9	73%	0.727	70%	0.698	S	S	*	*			trans	-57.4	137.1	174.2	-19.8	30.8	0	0	0	109.9	R748	P746-R748 PolarHBondContact O-N 2.81Å
747	E	30.5	Very low	34.6	Very low	202 Å²	202	138.8 Å²	138.8	94%	0.944	68%	0.683	S	S	*	*			trans	-49.6	107.5	177.6	-68.5	-178.5	165.1	0	0	110.1	I745	I745-E747 PolarHBondContact O-N 2.8Å
748	R	33	Very low	35.1	Very low	213 Å²	213	138 Å²	138	80%	0.804	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-80	129.9	177.9	-161.5	179.9	-173.3	-165.4	1	107.4	P746	P746-R748 PolarHBondContact O-N 2.81Å
749	E	34.3	Very low	35.5	Very low	159 Å²	159	140.9 Å²	140.9	74%	0.743	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-47.8	137.9	174.5	-70.1	-173.9	165.8	0	0	110.8	T751	E749-T751 PolarHBondContact O-N 3.26Å; E749-T751 VanDerWaalsContact O-N 3.1Å
750	P	36.4	Very low	36.1	Very low	76 Å²	76	137.9 Å²	137.9	49%	0.494	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-54	122.5	178.8	-19.9	28.8	0	0	0	108.9	D754 R755	P750-D754 HydrophobicContact CB-CB 4.03Å; P750-R755 HydrophobicContact CB-CG 4.24Å
751	T	37.2	Very low	36.1	Very low	56 Å²	56	134 Å²	134	34%	0.344	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-62	155.4	176.2	62.1	0	0	0	0	108.8	E749 F753 D754 R755	E749-T751 PolarHBondContact O-N 3.26Å; E749-T751 VanDerWaalsContact O-N 3.1Å; T751-F753 PolarHBondContact O-N 3.12Å; T751-D754 WeakPolarHBondContact CB-OD2 3.36Å; T751-D754 PolarHBondContact N-OD2 3.22Å; T751-D754 WeakPolarHBondContact O-CA 3.23Å; T751-D754 WeakPolarHBondContact O-CB 3.4Å; T751-D754 PolarHBondContact O-N 2.88Å; T751-D754 VanDerWaalsContact OG1-CG 3.25Å; T751-D754 PolarHBondContact OG1-N 2.81Å; T751-D754 PolarHBondContact OG1-OD2 2.87Å; T751-R755 PolarHBondContact O-N 3.39Å; T751-R755 VanDerWaalsContact O-N 3.16Å
752	W	40.8	Very low	36.3	Very low	167 Å²	167	134.2 Å²	134.2	63%	0.633	63%	0.63	S	S	*	*	H	α-helix	trans	-49	-34.3	173.6	175.8	87.3	0	0	0	112	R755 K756	W752-R755 PolarHBondContact O-N 2.83Å; W752-K756 HydrophobicContact CH2-CD 3.82Å; W752-K756 HydrophobicContact CZ2-CD 3.77Å; W752-K756 HydrophobicContact CZ3-CD 4.5Å; W752-K756 PolarHBondContact O-N 2.71Å; W752-K756 VanDerWaalsContact O-N 3.1Å
753	F	35.3	Very low	36.6	Very low	77 Å²	77	134.3 Å²	134.3	34%	0.338	63%	0.63	S	S	.	*	H	α-helix	trans	-66.1	-31.5	172.9	-76.8	-79.3	0	0	0	115.2	T751 N757	T751-F753 PolarHBondContact O-N 3.12Å; F753-N757 PolarHBondContact O-N 3.49Å; F753-N757 PolarHBondContact O-ND2 2.82Å
754	D	41.3	Very low	36.8	Very low	83 Å²	83	132.9 Å²	132.9	44%	0.444	62%	0.622	S	S	.	*	H	α-helix	trans	-76	-29.6	175.1	-61.8	-49.6	0	0	0	111.4	P750 T751	P750-D754 HydrophobicContact CB-CB 4.03Å; T751-D754 WeakPolarHBondContact CB-OD2 3.36Å; T751-D754 PolarHBondContact N-OD2 3.22Å; T751-D754 WeakPolarHBondContact O-CA 3.23Å; T751-D754 WeakPolarHBondContact O-CB 3.4Å; T751-D754 PolarHBondContact O-N 2.88Å; T751-D754 VanDerWaalsContact OG1-CG 3.25Å; T751-D754 PolarHBondContact OG1-N 2.81Å; T751-D754 PolarHBondContact OG1-OD2 2.87Å
755	R	43.7	Very low	37.5	Very low	137 Å²	137	130.2 Å²	130.2	52%	0.517	62%	0.62	S	S	.	*	H	α-helix	trans	-72	-49.3	175.8	-61.8	-175	-165.2	-171.1	0.7	111.5	P750 T751 W752 N757 K758 E759	P750-R755 HydrophobicContact CB-CG 4.24Å; T751-R755 PolarHBondContact O-N 3.39Å; T751-R755 VanDerWaalsContact O-N 3.16Å; W752-R755 PolarHBondContact O-N 2.83Å; R755-N757 PolarHBondContact O-N 3.04Å; R755-K758 WeakPolarHBondContact O-CB 3.49Å; R755-K758 PolarHBondContact O-N 3.32Å; R755-E759 PolarHBondContact O-N 3.04Å; R755-E759 VanDerWaalsContact O-N 3.15Å
756	K	43.1	Very low	37.7	Very low	74 Å²	74	130.6 Å²	130.6	32%	0.322	62%	0.624	S	S	.	*	H	α-helix	trans	-63.9	-36.2	-178.2	-124.3	-167.2	174.2	-111.9	0	113.9	W752 K758 E759 E760	W752-K756 HydrophobicContact CH2-CD 3.82Å; W752-K756 HydrophobicContact CZ2-CD 3.77Å; W752-K756 HydrophobicContact CZ3-CD 4.5Å; W752-K756 PolarHBondContact O-N 2.71Å; W752-K756 VanDerWaalsContact O-N 3.1Å; K756-K758 VanDerWaalsContact C-N 3.28Å; K756-K758 PolarHBondContact O-N 3.16Å; K756-E759 PolarHBondContact O-N 3.39Å; K756-E760 IonicContact NZ-OE1 2.91Å; K756-E760 PolarHBondContact NZ-OE1 2.98Å; K756-E760 PolarHBondContact O-N 3.04Å; K756-E760 VanDerWaalsContact O-N 3.08Å
757	N	38.6	Very low	37.9	Very low	62 Å²	62	130 Å²	130	33%	0.332	62%	0.622	S	S	.	*	H	α-helix	trans	-71.9	-19.5	175.7	-81.8	-57.3	0	0	0	113.5	F753 R755 I761	F753-N757 PolarHBondContact O-N 3.49Å; F753-N757 PolarHBondContact O-ND2 2.82Å; R755-N757 PolarHBondContact O-N 3.04Å; N757-I761 WeakPolarHBondContact O-CD1 3.34Å; N757-I761 VanDerWaalsContact O-CG1 3.28Å; N757-I761 WeakPolarHBondContact O-CG1 3.26Å
758	K	41.2	Very low	37.9	Very low	172 Å²	172	132.1 Å²	132.1	75%	0.748	64%	0.64	S	S	*	*	H	α-helix	trans	-79.3	-40.9	171.7	-101.3	-177	171.4	-173.1	0	111.1	R755 K756	R755-K758 WeakPolarHBondContact O-CB 3.49Å; R755-K758 PolarHBondContact O-N 3.32Å; K756-K758 VanDerWaalsContact C-N 3.28Å; K756-K758 PolarHBondContact O-N 3.16Å
759	E	38.5	Very low	38.2	Very low	136 Å²	136	128.1 Å²	128.1	64%	0.636	63%	0.632	S	S	*	*	H	α-helix	trans	-71.8	-30.3	-179.1	-70	169.9	-178.2	0	0	113	R755 K756	R755-E759 PolarHBondContact O-N 3.04Å; R755-E759 VanDerWaalsContact O-N 3.15Å; K756-E759 PolarHBondContact O-N 3.39Å
760	E	42	Very low	38.4	Very low	99 Å²	99	126.5 Å²	126.5	46%	0.463	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.5	1.6	-179.7	-68.4	176	-172.3	0	0	114.3	K756	K756-E760 IonicContact NZ-OE1 2.91Å; K756-E760 PolarHBondContact NZ-OE1 2.98Å; K756-E760 PolarHBondContact O-N 3.04Å; K756-E760 VanDerWaalsContact O-N 3.08Å
761	I	38.7	Very low	38.5	Very low	116 Å²	116	129.3 Å²	129.3	60%	0.595	63%	0.633	S	S	*	*	S	Bend	trans	-105.4	-5.9	176.6	-65	176.6	0	0	0	112.2	N757 I763	N757-I761 WeakPolarHBondContact O-CD1 3.34Å; N757-I761 VanDerWaalsContact O-CG1 3.28Å; N757-I761 WeakPolarHBondContact O-CG1 3.26Å; I761-I763 PolarHBondContact O-N 3.38Å
762	E	34.1	Very low	38.5	Very low	163 Å²	163	133.6 Å²	133.6	76%	0.762	65%	0.65	S	S	*	*			trans	-72.6	86.4	159.9	-78	176.8	173.2	0	0	108	D764	E762-D764 PolarHBondContact O-N 3.46Å
763	I	35.4	Very low	38.4	Very low	149 Å²	149	131.5 Å²	131.5	76%	0.764	65%	0.652	S	S	*	*			trans	-66.3	116.2	162.1	-62.5	170.3	0	0	0	104.9	I761 E765	I761-I763 PolarHBondContact O-N 3.38Å; I763-E765 PolarHBondContact O-N 2.82Å
764	D	35.5	Very low	38.6	Very low	139 Å²	139	135.1 Å²	135.1	74%	0.743	67%	0.672	S	S	*	*			trans	-45.5	109.7	170.4	-74.8	-44.3	0	0	0	109.3	E762 D766	E762-D764 PolarHBondContact O-N 3.46Å; D764-D766 PolarHBondContact O-N 2.63Å
765	E	44.9	Very low	38.4	Very low	192 Å²	192	138.9 Å²	138.9	90%	0.897	69%	0.689	S	S	*	*	S	Bend	trans	-75.7	10.4	175.2	-71.5	-173	152	0	0	112.2	I763	I763-E765 PolarHBondContact O-N 2.82Å
766	D	37.9	Very low	38	Very low	159 Å²	159	139 Å²	139	85%	0.85	70%	0.702	S	S	*	*			trans	-122.4	52.7	-174.5	-70	-34.1	0	0	0	112.8	D764	D764-D766 PolarHBondContact O-N 2.63Å
767	S	33.9	Very low	37.6	Very low	100 Å²	100	144.4 Å²	144.4	70%	0.699	73%	0.734	S	S	*	*			trans	-151.3	113.2	159.2	70.4	0	0	0	0	112.2
768	D	30.3	Very low	37.5	Very low	246 Å²	246	151.9 Å²	151.9	100%	1.316	77%	0.77	S	S	*	*			trans	87.6	0	-179.6	-63.5	-16.2	0	0	0	118.4

Retrieved 768 of 768 residues in 314.9 ms (Link to these results)

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