A0A087XHA5_POEFO Loading...

Crooked neck-like protein 1

Involved in pre-mRNA splicing process. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs.

AlphaFold DB , UniProt , Accession A0A087XHA5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 739 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	44.7	Very low	250 Å²	250	151 Å²	151	100%	1.232	87%	0.874	S	S	*	*				0	151.6	0	-58.2	-178.4	-168.1	0	0	108.2
2	A	40.9	Very low	45.3	Very low	104 Å²	104	147.4 Å²	147.4	86%	0.86	86%	0.86	S	S	*	*			trans	-94.2	148.7	173.5	0	0	0	0	0	110.6
3	S	34.8	Very low	46.6	Very low	107 Å²	107	152.1 Å²	152.1	75%	0.748	86%	0.863	S	S	*	*			trans	-152.2	121.5	156	-157.2	0	0	0	0	111.1
4	T	38.5	Very low	47.6	Very low	127 Å²	127	150.3 Å²	150.3	78%	0.779	86%	0.857	S	S	*	*			trans	29.5	106.2	157	52.7	0	0	0	0	119.7
5	A	44.2	Very low	48.5	Very low	113 Å²	113	146.1 Å²	146.1	93%	0.934	85%	0.848	S	S	*	*			trans	-72.2	127.1	151.7	0	0	0	0	0	109.9
6	A	42.1	Very low	49.6	Very low	89 Å²	89	149.1 Å²	149.1	74%	0.736	85%	0.848	S	S	*	*			trans	-129.2	122.7	167.3	0	0	0	0	0	108.7	K8	A6-K8 PolarHBondContact O-N 2.99Å
7	G	48.1	Very low	50.9	Low	85 Å²	85	148.6 Å²	148.6	88%	0.876	85%	0.848	S	S	*	*			trans	-72.6	107.7	-167.8	0	0	0	0	0	113.6
8	K	48	Very low	52.4	Low	203 Å²	203	150 Å²	150	88%	0.883	84%	0.843	S	S	*	*			trans	-82.2	115.4	160.4	-73	-173.2	176.5	-178.8	0	109.2	A6 R10	A6-K8 PolarHBondContact O-N 2.99Å; K8-R10 PolarHBondContact O-N 2.84Å
9	Q	48.4	Very low	53.7	Low	188 Å²	188	149.4 Å²	149.4	88%	0.879	84%	0.837	S	S	*	*			trans	-54.9	133.2	176.6	-68.9	167.5	-29.4	0	0	110.2	I11	Q9-I11 PolarHBondContact O-N 2.8Å
10	R	51.3	Low	55	Low	247 Å²	247	151.5 Å²	151.5	93%	0.932	84%	0.837	S	S	*	*			trans	-72.3	94.7	174.4	-80.1	-174.9	172.1	-177.4	-0.4	109.3	K8	K8-R10 PolarHBondContact O-N 2.84Å
11	I	56.8	Low	56.3	Low	148 Å²	148	147 Å²	147	76%	0.759	82%	0.82	S	S	*	*			trans	-49.2	130.4	162.8	-60.5	162.1	0	0	0	107.6	Q9 K13	Q9-I11 PolarHBondContact O-N 2.8Å; I11-K13 PolarHBondContact O-N 3.47Å
12	P	53	Low	58.1	Low	108 Å²	108	140.8 Å²	140.8	70%	0.701	80%	0.798	S	S	*	*			trans	-54.3	130.8	177.7	-26.7	35.1	0	0	0	110.6	V14	P12-V14 VanDerWaalsContact C-N 3.3Å; P12-V14 PolarHBondContact O-N 3.07Å
13	K	61.9	Low	59.9	Low	208 Å²	208	138.7 Å²	138.7	90%	0.904	78%	0.781	S	S	*	*			trans	-67.7	94.2	171.7	-74.2	-174.4	177.9	-178.6	0	108	I11 A15	I11-K13 PolarHBondContact O-N 3.47Å; K13-A15 PolarHBondContact O-N 2.84Å
14	V	59.6	Low	62	Low	127 Å²	127	143.3 Å²	143.3	77%	0.77	79%	0.791	S	S	*	*			trans	-45.8	129.4	170.6	-179.6	0	0	0	0	108.1	P12 K16	P12-V14 VanDerWaalsContact C-N 3.3Å; P12-V14 PolarHBondContact O-N 3.07Å; V14-K16 PolarHBondContact O-N 2.79Å
15	A	61.3	Low	64	Low	88 Å²	88	142 Å²	142	73%	0.727	78%	0.783	S	S	*	*			trans	-60.1	106.5	-178.1	0	0	0	0	0	108.8	K13 V17	K13-A15 PolarHBondContact O-N 2.84Å; A15-V17 PolarHBondContact O-N 3.05Å
16	K	66.2	Low	65.9	Low	194 Å²	194	142.8 Å²	142.8	84%	0.843	77%	0.767	S	S	*	*			trans	-57.5	113.2	177	-80.8	-168.4	169.5	-168.5	0	108.1	V14 K18	V14-K16 PolarHBondContact O-N 2.79Å; K16-K18 PolarHBondContact O-N 3.07Å
17	V	71.6	Confident	67.9	Low	140 Å²	140	144.2 Å²	144.2	85%	0.848	76%	0.761	S	S	*	*			trans	-55.4	111.2	174.5	-179.4	0	0	0	0	107.2	A15 N19	A15-V17 PolarHBondContact O-N 3.05Å; V17-N19 PolarHBondContact O-N 3.33Å
18	K	77.9	Confident	69.8	Low	174 Å²	174	143.6 Å²	143.6	76%	0.757	74%	0.74	S	S	*	*			trans	-72.9	116.2	177.2	-67.4	-176.6	179.3	-178.7	0	106.9	K16 K20	K16-K18 PolarHBondContact O-N 3.07Å; K18-K20 PolarHBondContact O-N 2.89Å
19	N	77.6	Confident	71.8	Confident	139 Å²	139	137.3 Å²	137.3	74%	0.743	73%	0.726	S	S	*	*			trans	-56.6	137.9	172.3	-167.8	0.4	0	0	0	109.2	V17 A21	V17-N19 PolarHBondContact O-N 3.33Å; N19-A21 WeakPolarHBondContact OD1-CB 3.32Å; N19-A21 PolarHBondContact OD1-N 2.67Å
20	K	80	Confident	73.8	Confident	190 Å²	190	133.7 Å²	133.7	83%	0.826	71%	0.709	S	S	*	*			trans	-117.3	6.5	-179.9	-71.9	-64.9	-171.6	165.9	0	112.9	K18	K18-K20 PolarHBondContact O-N 2.89Å
21	A	82.8	Confident	75.6	Confident	59 Å²	59	125.6 Å²	125.6	49%	0.488	68%	0.682	S	S	.	*	S	Bend	trans	-52.9	149.5	164.9	0	0	0	0	0	111	N19	N19-A21 WeakPolarHBondContact OD1-CB 3.32Å; N19-A21 PolarHBondContact OD1-N 2.67Å
22	P	75.2	Confident	77.2	Confident	118 Å²	118	123.4 Å²	123.4	77%	0.766	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-58.7	139.5	173	26.5	-34.7	0	0	0	110.4
23	A	79.1	Confident	79	Confident	60 Å²	60	124.3 Å²	124.3	50%	0.496	67%	0.669	S	S	.	*	P	Polyproline II helix	trans	-72.6	134.7	175.3	0	0	0	0	0	110.5	V25 Q26	A23-V25 PolarHBondContact O-N 2.65Å; A23-Q26 PolarHBondContact O-NE2 3.01Å
24	E	78.6	Confident	80.3	Confident	204 Å²	204	121 Å²	121	95%	0.953	65%	0.651	S	S	*	*	S	Bend	trans	-60.4	-35.4	178.8	-63.1	172.2	167.6	0	0	112.1
25	V	80.6	Confident	81.8	Confident	101 Å²	101	119.5 Å²	119.5	61%	0.612	64%	0.636	S	S	*	*	S	Bend	trans	-106.9	116.4	171.3	-177.8	0	0	0	0	109	A23	A23-V25 PolarHBondContact O-N 2.65Å
26	Q	83.4	Confident	83.1	Confident	128 Å²	128	118.3 Å²	118.3	60%	0.598	63%	0.626	S	S	*	*			trans	-81.5	126.6	168.9	-63.4	-60.5	-50.4	0	0	109.2	A23 T28	A23-Q26 PolarHBondContact O-NE2 3.01Å; Q26-T28 PolarHBondContact O-N 3.28Å; Q26-T28 VanDerWaalsContact O-N 3.14Å
27	I	84.9	Confident	84.3	Confident	119 Å²	119	116.3 Å²	116.3	61%	0.61	62%	0.617	S	S	*	*			trans	-69	112.9	-178.9	-61.3	174.4	0	0	0	109	L32	I27-L32 HydrophobicContact CG2-CD1 4.34Å; I27-L32 HydrophobicContact CG2-CD2 3.87Å; I27-L32 HydrophobicContact CG2-CG 3.83Å
28	T	87.9	Confident	85.1	Confident	72 Å²	72	116.1 Å²	116.1	44%	0.442	61%	0.607	S	S	.	*			trans	-87	160.2	178.7	68.1	0	0	0	0	111.6	Q26 E30 Q31 L32	Q26-T28 PolarHBondContact O-N 3.28Å; Q26-T28 VanDerWaalsContact O-N 3.14Å; T28-E30 PolarHBondContact O-N 2.7Å; T28-Q31 WeakPolarHBondContact O-CB 3.36Å; T28-Q31 PolarHBondContact O-N 3.2Å; T28-Q31 VanDerWaalsContact O-N 3.12Å; T28-Q31 PolarHBondContact OG1-N 2.97Å; T28-L32 PolarHBondContact O-N 2.93Å
29	A	88.9	Confident	85.6	Confident	72 Å²	72	114.2 Å²	114.2	60%	0.595	60%	0.595	S	S	*	*	H	α-helix	trans	-59.5	-33.5	172.2	0	0	0	0	0	112.2	L32 L33	A29-L32 PolarHBondContact O-N 3.21Å; A29-L33 VanDerWaalsContact O-CG 3.31Å; A29-L33 WeakPolarHBondContact O-CG 3.24Å; A29-L33 PolarHBondContact O-N 2.81Å
30	E	90.3	Very high	85.8	Confident	112 Å²	112	113.3 Å²	113.3	52%	0.523	59%	0.586	S	S	.	*	H	α-helix	trans	-60	-44.9	173	-173.9	-155	134.3	0	0	111.7	T28 L32 L33 R34	T28-E30 PolarHBondContact O-N 2.7Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.24Å; E30-L33 PolarHBondContact O-N 2.81Å; E30-R34 WeakPolarHBondContact O-CB 3.36Å; E30-R34 PolarHBondContact O-N 2.99Å; E30-R34 IonicContact OE1-CZ 3.75Å; E30-R34 IonicContact OE1-NH1 2.99Å; E30-R34 PolarHBondContact OE1-NH1 3.18Å; E30-R34 IonicContact OE1-NH2 2.82Å; E30-R34 PolarHBondContact OE1-NH2 3.11Å
31	Q	89.1	Confident	86	Confident	76 Å²	76	111.7 Å²	111.7	36%	0.355	59%	0.586	S	S	.	*	H	α-helix	trans	-63.1	-41.4	179.5	-170.4	174.8	7.9	0	0	111.5	T28 R34 E35	T28-Q31 WeakPolarHBondContact O-CB 3.36Å; T28-Q31 PolarHBondContact O-N 3.2Å; T28-Q31 VanDerWaalsContact O-N 3.12Å; T28-Q31 PolarHBondContact OG1-N 2.97Å; Q31-R34 PolarHBondContact O-N 3.09Å; Q31-E35 WeakPolarHBondContact O-CB 3.44Å; Q31-E35 PolarHBondContact O-N 3.5Å
32	L	91.1	Very high	86.1	Confident	102 Å²	102	117.9 Å²	117.9	53%	0.534	61%	0.605	S	S	.	*	H	α-helix	trans	-64.5	-42.3	174.9	-66.4	173.8	0	0	0	112.4	I27 T28 A29 E30 E35 A36	I27-L32 HydrophobicContact CG2-CD1 4.34Å; I27-L32 HydrophobicContact CG2-CD2 3.87Å; I27-L32 HydrophobicContact CG2-CG 3.83Å; T28-L32 PolarHBondContact O-N 2.93Å; A29-L32 PolarHBondContact O-N 3.21Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.24Å; L32-E35 PolarHBondContact O-N 2.73Å; L32-A36 VanDerWaalsContact O-CB 3.3Å; L32-A36 WeakPolarHBondContact O-CB 3.46Å; L32-A36 PolarHBondContact O-N 2.98Å
33	L	90.2	Very high	86.6	Confident	127 Å²	127	117.7 Å²	117.7	67%	0.665	60%	0.597	S	S	*	*	H	α-helix	trans	-67.4	-37.6	177.1	-71.2	171.3	0	0	0	112.2	A29 E30 A36 K37	A29-L33 VanDerWaalsContact O-CG 3.31Å; A29-L33 WeakPolarHBondContact O-CG 3.24Å; A29-L33 PolarHBondContact O-N 2.81Å; E30-L33 PolarHBondContact O-N 2.81Å; L33-A36 PolarHBondContact O-N 3.33Å; L33-K37 PolarHBondContact O-N 3.48Å
34	R	89.9	Confident	86.8	Confident	139 Å²	139	122 Å²	122	53%	0.525	61%	0.61	S	S	.	*	H	α-helix	trans	-61.2	-53.3	171.7	-176.8	176.9	-73.4	120.9	5.4	110.2	E30 Q31 A36 K37 E38	E30-R34 WeakPolarHBondContact O-CB 3.36Å; E30-R34 PolarHBondContact O-N 2.99Å; E30-R34 IonicContact OE1-CZ 3.75Å; E30-R34 IonicContact OE1-NH1 2.99Å; E30-R34 PolarHBondContact OE1-NH1 3.18Å; E30-R34 IonicContact OE1-NH2 2.82Å; E30-R34 PolarHBondContact OE1-NH2 3.11Å; Q31-R34 PolarHBondContact O-N 3.09Å; R34-A36 VanDerWaalsContact C-N 3.26Å; R34-A36 PolarHBondContact O-N 2.99Å; R34-K37 PolarHBondContact O-N 2.83Å; R34-K37 VanDerWaalsContact O-N 3.1Å; R34-E38 HydrophobicContact CG-CG 4.4Å; R34-E38 WeakPolarHBondContact O-CG 3.39Å; R34-E38 PolarHBondContact O-N 3.08Å
35	E	91.5	Very high	87	Confident	96 Å²	96	117.4 Å²	117.4	45%	0.449	60%	0.599	S	S	.	*	H	α-helix	trans	-65.4	-26.4	-179.8	-151.6	-159.1	112.5	0	0	113.3	Q31 L32 R39	Q31-E35 WeakPolarHBondContact O-CB 3.44Å; Q31-E35 PolarHBondContact O-N 3.5Å; L32-E35 PolarHBondContact O-N 2.73Å; E35-R39 WeakPolarHBondContact O-CG 3.32Å; E35-R39 PolarHBondContact O-NH1 3.49Å; E35-R39 IonicContact OE1-CZ 3.37Å; E35-R39 IonicContact OE1-NH1 3.27Å; E35-R39 PolarHBondContact OE1-NH1 3.33Å; E35-R39 IonicContact OE1-NH2 2.7Å; E35-R39 PolarHBondContact OE1-NH2 2.78Å
36	A	89.2	Confident	87.2	Confident	62 Å²	62	118.2 Å²	118.2	51%	0.512	61%	0.606	S	S	.	*	H	α-helix	trans	-70.8	-41.7	171.4	0	0	0	0	0	111.9	L32 L33 R34	L32-A36 VanDerWaalsContact O-CB 3.3Å; L32-A36 WeakPolarHBondContact O-CB 3.46Å; L32-A36 PolarHBondContact O-N 2.98Å; L33-A36 PolarHBondContact O-N 3.33Å; R34-A36 VanDerWaalsContact C-N 3.26Å; R34-A36 PolarHBondContact O-N 2.99Å
37	K	89.9	Confident	87.2	Confident	152 Å²	152	117.5 Å²	117.5	66%	0.661	61%	0.612	S	S	*	*	H	α-helix	trans	-65.9	-48.5	177.5	-173.9	-164.7	170.7	-153.6	0	112.1	L33 R34 R39 E40	L33-K37 PolarHBondContact O-N 3.48Å; R34-K37 PolarHBondContact O-N 2.83Å; R34-K37 VanDerWaalsContact O-N 3.1Å; K37-R39 PolarHBondContact O-N 3.27Å; K37-E40 WeakPolarHBondContact O-CG 3.33Å; K37-E40 PolarHBondContact O-N 2.87Å
38	E	89.8	Confident	87.4	Confident	136 Å²	136	117.8 Å²	117.8	64%	0.636	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-7.5	-177.6	-61.7	-61.8	129.2	0	0	113.9	R34	R34-E38 HydrophobicContact CG-CG 4.4Å; R34-E38 WeakPolarHBondContact O-CG 3.39Å; R34-E38 PolarHBondContact O-N 3.08Å
39	R	86.9	Confident	87.2	Confident	135 Å²	135	124.4 Å²	124.4	51%	0.509	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.4	-19.5	171.7	-76.1	177.7	168.9	83.2	0.8	114.1	E35 K37 L41	E35-R39 WeakPolarHBondContact O-CG 3.32Å; E35-R39 PolarHBondContact O-NH1 3.49Å; E35-R39 IonicContact OE1-CZ 3.37Å; E35-R39 IonicContact OE1-NH1 3.27Å; E35-R39 PolarHBondContact OE1-NH1 3.33Å; E35-R39 IonicContact OE1-NH2 2.7Å; E35-R39 PolarHBondContact OE1-NH2 2.78Å; K37-R39 PolarHBondContact O-N 3.27Å; R39-L41 HydrophobicContact CB-CG 4.04Å; R39-L41 PolarHBondContact O-N 3.08Å
40	E	82.5	Confident	87	Confident	119 Å²	119	128 Å²	128	56%	0.556	65%	0.649	S	S	*	*			trans	43.9	30	175.6	-58.9	-160	133.1	0	0	116.4	K37 E42 L43	K37-E40 WeakPolarHBondContact O-CG 3.33Å; K37-E40 PolarHBondContact O-N 2.87Å; E40-E42 PolarHBondContact O-N 3.12Å; E40-L43 HydrophobicContact CB-CB 4.04Å; E40-L43 HydrophobicContact CB-CD2 4.38Å; E40-L43 WeakPolarHBondContact O-CB 3.44Å; E40-L43 PolarHBondContact O-N 2.9Å; E40-L43 WeakPolarHBondContact OE2-CD2 3.45Å
41	L	84.7	Confident	86.7	Confident	156 Å²	156	131.4 Å²	131.4	82%	0.817	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-23.2	-168.1	-64	175.6	0	0	0	115.2	R39	R39-L41 HydrophobicContact CB-CG 4.04Å; R39-L41 PolarHBondContact O-N 3.08Å
42	E	83.7	Confident	86.5	Confident	190 Å²	190	131.4 Å²	131.4	89%	0.888	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-8.5	178.3	-60.1	-175.7	172.3	0	0	112.9	E40 L44	E40-E42 PolarHBondContact O-N 3.12Å; E42-L44 PolarHBondContact O-N 3.26Å; E42-L44 VanDerWaalsContact O-N 3.14Å
43	L	85.4	Confident	86.2	Confident	113 Å²	113	131.7 Å²	131.7	59%	0.592	67%	0.67	S	S	*	*			trans	-78.9	100.1	-179.1	-172.9	63.6	0	0	0	110.2	E40	E40-L43 HydrophobicContact CB-CB 4.04Å; E40-L43 HydrophobicContact CB-CD2 4.38Å; E40-L43 WeakPolarHBondContact O-CB 3.44Å; E40-L43 PolarHBondContact O-N 2.9Å; E40-L43 WeakPolarHBondContact OE2-CD2 3.45Å
44	L	83.9	Confident	86.1	Confident	150 Å²	150	130.4 Å²	130.4	79%	0.785	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-59	133.4	174.8	-64.5	177	0	0	0	110.9	E42	E42-L44 PolarHBondContact O-N 3.26Å; E42-L44 VanDerWaalsContact O-N 3.14Å
45	P	84.1	Confident	86	Confident	109 Å²	109	132.2 Å²	132.2	71%	0.708	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-62.4	142.3	179.4	25.9	-34.4	0	0	0	110.8
46	P	84.9	Confident	85.8	Confident	117 Å²	117	135.4 Å²	135.4	76%	0.76	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-63.4	143.8	-179.3	26.3	-34.5	0	0	0	111.1
47	P	83.1	Confident	85.6	Confident	113 Å²	113	135.7 Å²	135.7	73%	0.734	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-62.9	147	-179.3	26.5	-34.8	0	0	0	111.5
48	P	88.3	Confident	85.5	Confident	125 Å²	125	131.3 Å²	131.3	81%	0.812	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-61.6	143.6	-179.2	25.8	-34.6	0	0	0	111.6	Q50	P48-Q50 VanDerWaalsContact C-N 3.32Å; P48-Q50 PolarHBondContact O-N 2.88Å
49	K	84.8	Confident	85.4	Confident	211 Å²	211	129.2 Å²	129.2	92%	0.917	66%	0.657	S	S	*	*			trans	-74.6	78.3	-178.1	-65.9	-178.9	-179.4	176.5	0	111.6
50	Q	83.2	Confident	85.5	Confident	148 Å²	148	127 Å²	127	69%	0.692	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-64	132.1	169.9	-175.4	173.7	1.4	0	0	110.2	P48 E57	P48-Q50 VanDerWaalsContact C-N 3.32Å; P48-Q50 PolarHBondContact O-N 2.88Å; Q50-E57 PolarHBondContact NE2-OE1 2.84Å
51	K	83.8	Confident	85.8	Confident	184 Å²	184	126 Å²	126	80%	0.8	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-86.7	137.6	163.7	-68	180	-179.5	179.2	0	107.8
52	I	86.5	Confident	86	Confident	75 Å²	75	119.8 Å²	119.8	39%	0.385	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-93.5	117.7	174.1	-60.7	171.5	0	0	0	106.8	E57 L58 Y61	I52-E57 WeakPolarHBondContact CA-OE2 3.33Å; I52-E57 HydrophobicContact CG2-CB 3.9Å; I52-L58 HydrophobicContact CD1-CD1 4.25Å; I52-L58 HydrophobicContact CG2-CB 3.86Å; I52-Y61 HydrophobicContact CD1-CD1 4.4Å; I52-Y61 HydrophobicContact CD1-CD2 4.35Å; I52-Y61 HydrophobicContact CD1-CG 4.05Å
53	T	84.1	Confident	86.4	Confident	109 Å²	109	115.8 Å²	115.8	67%	0.669	60%	0.598	S	S	*	*			trans	-90.1	-43.8	177.4	54.3	0	0	0	0	111.7	E57	T53-E57 PolarHBondContact N-OE2 3.03Å; T53-E57 PolarHBondContact OG1-OE2 3.47Å
54	D	88.3	Confident	86.7	Confident	99 Å²	99	117.6 Å²	117.6	53%	0.529	60%	0.602	S	S	.	*	S	Bend	trans	-117.7	159.1	-162.4	-73.5	-76.8	0	0	0	114.5	E56 E57 L58	D54-E56 PolarHBondContact O-N 2.97Å; D54-E57 PolarHBondContact O-N 3.38Å; D54-L58 WeakPolarHBondContact O-CB 3.41Å; D54-L58 PolarHBondContact O-N 3.04Å
55	K	86.5	Confident	87	Confident	178 Å²	178	114.1 Å²	114.1	77%	0.774	58%	0.58	S	S	*	*	H	α-helix	trans	-61.7	-28.5	175.7	-67.9	178.1	-178	172.2	0	112.1	N59	K55-N59 WeakPolarHBondContact O-CB 3.47Å; K55-N59 PolarHBondContact O-N 3.22Å; K55-N59 PolarHBondContact O-ND2 3.02Å
56	E	87.9	Confident	87.5	Confident	163 Å²	163	110.6 Å²	110.6	76%	0.762	55%	0.553	S	S	*	*	H	α-helix	trans	-73.1	-48.2	176.9	-170.8	165.6	-175.1	0	0	111.7	D54 L58 N59 D60	D54-E56 PolarHBondContact O-N 2.97Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 PolarHBondContact O-N 3.27Å; E56-N59 CarbonylContact O-C 3.56Å; E56-N59 WeakPolarHBondContact O-CA 3.29Å; E56-N59 WeakPolarHBondContact O-CB 3.27Å; E56-N59 PolarHBondContact O-N 3.41Å; E56-D60 PolarHBondContact O-N 3.37Å
57	E	86.1	Confident	87.9	Confident	67 Å²	67	111.2 Å²	111.2	31%	0.313	54%	0.543	S	S	.	.	H	α-helix	trans	-58.2	-41.1	171.5	-69.4	-162.3	128.1	0	0	112.2	Q50 I52 T53 D54 N59 D60 Y61	Q50-E57 PolarHBondContact NE2-OE1 2.84Å; I52-E57 WeakPolarHBondContact CA-OE2 3.33Å; I52-E57 HydrophobicContact CG2-CB 3.9Å; T53-E57 PolarHBondContact N-OE2 3.03Å; T53-E57 PolarHBondContact OG1-OE2 3.47Å; D54-E57 PolarHBondContact O-N 3.38Å; E57-N59 PolarHBondContact O-N 2.85Å; E57-D60 PolarHBondContact O-N 2.79Å; E57-Y61 WeakPolarHBondContact O-CB 3.29Å; E57-Y61 PolarHBondContact O-N 2.93Å
58	L	87	Confident	88.4	Confident	60 Å²	60	107.3 Å²	107.3	31%	0.314	52%	0.523	S	S	.	.	H	α-helix	trans	-62.3	-34.6	174.7	-177.2	59.8	0	0	0	111.6	I52 D54 E56 K62	I52-L58 HydrophobicContact CD1-CD1 4.25Å; I52-L58 HydrophobicContact CG2-CB 3.86Å; D54-L58 WeakPolarHBondContact O-CB 3.41Å; D54-L58 PolarHBondContact O-N 3.04Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 PolarHBondContact O-N 3.27Å; L58-K62 HydrophobicContact CG-CD 4.48Å; L58-K62 WeakPolarHBondContact O-CB 3.3Å; L58-K62 WeakPolarHBondContact O-CG 3.43Å; L58-K62 PolarHBondContact O-N 2.93Å
59	N	88.3	Confident	88.6	Confident	92 Å²	92	102.9 Å²	102.9	49%	0.492	49%	0.492	S	S	.	.	H	α-helix	trans	-75.2	-37.7	177.1	-75.7	-22.2	0	0	0	112.5	K55 E56 E57 K62 L63	K55-N59 WeakPolarHBondContact O-CB 3.47Å; K55-N59 PolarHBondContact O-N 3.22Å; K55-N59 PolarHBondContact O-ND2 3.02Å; E56-N59 CarbonylContact O-C 3.56Å; E56-N59 WeakPolarHBondContact O-CA 3.29Å; E56-N59 WeakPolarHBondContact O-CB 3.27Å; E56-N59 PolarHBondContact O-N 3.41Å; E57-N59 PolarHBondContact O-N 2.85Å; N59-K62 PolarHBondContact O-N 3.48Å; N59-L63 VanDerWaalsContact O-CB 3.32Å; N59-L63 WeakPolarHBondContact O-CB 3.49Å; N59-L63 PolarHBondContact O-N 2.76Å
60	D	88.7	Confident	89	Confident	90 Å²	90	95 Å²	95	48%	0.481	46%	0.458	S	S	.	.	H	α-helix	trans	-65.9	-45.2	170.7	-179.9	63.2	0	0	0	111.4	E56 E57 K62 L63 K64	E56-D60 PolarHBondContact O-N 3.37Å; E57-D60 PolarHBondContact O-N 2.79Å; D60-K62 VanDerWaalsContact C-N 3.26Å; D60-K62 PolarHBondContact O-N 3.33Å; D60-L63 PolarHBondContact O-N 3.13Å; D60-K64 VanDerWaalsContact O-CB 3.29Å; D60-K64 WeakPolarHBondContact O-CB 3.3Å; D60-K64 PolarHBondContact O-N 3.43Å
61	Y	88.8	Confident	89.5	Confident	97 Å²	97	89.9 Å²	89.9	38%	0.38	44%	0.435	S	S	.	.	H	α-helix	trans	-53.3	-46.8	172.5	175.7	-91.9	0	0	0	110.8	I52 E57 K65 W89	I52-Y61 HydrophobicContact CD1-CD1 4.4Å; I52-Y61 HydrophobicContact CD1-CD2 4.35Å; I52-Y61 HydrophobicContact CD1-CG 4.05Å; E57-Y61 WeakPolarHBondContact O-CB 3.29Å; E57-Y61 PolarHBondContact O-N 2.93Å; Y61-K65 HydrophobicContact CD1-CG 4.28Å; Y61-K65 HydrophobicContact CD2-CG 4.41Å; Y61-K65 HydrophobicContact CE1-CG 3.87Å; Y61-K65 HydrophobicContact CE2-CD 4.31Å; Y61-K65 HydrophobicContact CE2-CG 4.03Å; Y61-K65 WeakPolarHBondContact O-CB 3.43Å; Y61-K65 WeakPolarHBondContact O-CG 3.41Å; Y61-K65 PolarHBondContact O-N 3.4Å; Y61-W89 HydrophobicContact CD1-CZ2 4.38Å; Y61-W89 AromaticContact CE1-CZ2 3.95Å; Y61-W89 HydrophobicContact CE1-CZ2 3.95Å; Y61-W89 AromaticContact CE1-NE1 3.97Å
62	K	89.3	Confident	89.9	Confident	25 Å²	25	84.6 Å²	84.6	11%	0.109	42%	0.416	C	S	.	.	H	α-helix	trans	-61.9	-45.3	174.9	-77.2	172.7	-177.2	-170.6	0	112.2	L58 N59 D60 K65 R66 W89 L93 E95	L58-K62 HydrophobicContact CG-CD 4.48Å; L58-K62 WeakPolarHBondContact O-CB 3.3Å; L58-K62 WeakPolarHBondContact O-CG 3.43Å; L58-K62 PolarHBondContact O-N 2.93Å; N59-K62 PolarHBondContact O-N 3.48Å; D60-K62 VanDerWaalsContact C-N 3.26Å; D60-K62 PolarHBondContact O-N 3.33Å; K62-K65 PolarHBondContact O-N 3.27Å; K62-R66 WeakPolarHBondContact O-CB 3.22Å; K62-R66 WeakPolarHBondContact O-CD 3.44Å; K62-R66 WeakPolarHBondContact O-CG 3.39Å; K62-R66 PolarHBondContact O-N 3.04Å; K62-W89 HydrophobicContact CB-CH2 4.14Å; K62-W89 HydrophobicContact CG-CH2 4.07Å; K62-W89 HydrophobicContact CG-CZ2 4.36Å; K62-L93 HydrophobicContact CD-CD1 4.44Å; K62-L93 HydrophobicContact CG-CD1 4.03Å; K62-E95 WeakPolarHBondContact CE-OE1 3.32Å; K62-E95 IonicContact NZ-OE1 2.73Å; K62-E95 PolarHBondContact NZ-OE1 2.91Å
63	L	91.9	Very high	90.1	Very high	107 Å²	107	81.3 Å²	81.3	56%	0.56	40%	0.399	S	S	*	.	H	α-helix	trans	-61.6	-49.4	179.9	-171.5	160.2	0	0	0	111.1	N59 D60 K65 R66 K67	N59-L63 VanDerWaalsContact O-CB 3.32Å; N59-L63 WeakPolarHBondContact O-CB 3.49Å; N59-L63 PolarHBondContact O-N 2.76Å; D60-L63 PolarHBondContact O-N 3.13Å; L63-K65 PolarHBondContact O-N 2.88Å; L63-R66 PolarHBondContact O-N 3.14Å; L63-K67 VanDerWaalsContact O-CB 3.28Å; L63-K67 WeakPolarHBondContact O-CB 3.49Å; L63-K67 PolarHBondContact O-N 3.42Å
64	K	91.3	Very high	90.4	Very high	151 Å²	151	84.7 Å²	84.7	66%	0.657	40%	0.4	S	S	*	.	H	α-helix	trans	-60.3	-42.6	178.3	-169.6	172.3	-173.6	170.9	0	112	D60 G68	D60-K64 VanDerWaalsContact O-CB 3.29Å; D60-K64 WeakPolarHBondContact O-CB 3.3Å; D60-K64 PolarHBondContact O-N 3.43Å; K64-G68 PolarHBondContact O-N 3.47Å; K64-G68 VanDerWaalsContact O-N 3.08Å
65	K	91.1	Very high	90.5	Very high	76 Å²	76	87.5 Å²	87.5	33%	0.33	41%	0.407	S	S	.	.	H	α-helix	trans	-69.1	-47.2	175.4	-69.5	-71.5	-66	-178	0	112.3	Y61 K62 L63 G68 F69 W89	Y61-K65 HydrophobicContact CD1-CG 4.28Å; Y61-K65 HydrophobicContact CD2-CG 4.41Å; Y61-K65 HydrophobicContact CE1-CG 3.87Å; Y61-K65 HydrophobicContact CE2-CD 4.31Å; Y61-K65 HydrophobicContact CE2-CG 4.03Å; Y61-K65 WeakPolarHBondContact O-CB 3.43Å; Y61-K65 WeakPolarHBondContact O-CG 3.41Å; Y61-K65 PolarHBondContact O-N 3.4Å; K62-K65 PolarHBondContact O-N 3.27Å; L63-K65 PolarHBondContact O-N 2.88Å; K65-G68 PolarHBondContact O-N 2.98Å; K65-F69 WeakPolarHBondContact O-CD2 3.33Å; K65-F69 PolarHBondContact O-N 3.05Å; K65-W89 HydrophobicContact CB-CH2 3.64Å; K65-W89 HydrophobicContact CB-CZ2 3.29Å; K65-W89 HydrophobicContact CB-CZ3 4.39Å; K65-W89 HydrophobicContact CG-CZ2 3.77Å
66	R	93.6	Very high	90.6	Very high	36 Å²	36	83 Å²	83	14%	0.136	39%	0.391	C	S	.	.	H	α-helix	trans	-58.3	-47.1	175.8	-76.3	169.1	176.8	156.1	6.3	111.6	K62 L63 G68 F69 E70 Y86 W89 E90 E95	K62-R66 WeakPolarHBondContact O-CB 3.22Å; K62-R66 WeakPolarHBondContact O-CD 3.44Å; K62-R66 WeakPolarHBondContact O-CG 3.39Å; K62-R66 PolarHBondContact O-N 3.04Å; L63-R66 PolarHBondContact O-N 3.14Å; R66-G68 PolarHBondContact O-N 2.94Å; R66-F69 PolarHBondContact O-N 3.27Å; R66-E70 WeakPolarHBondContact O-CB 3.41Å; R66-E70 WeakPolarHBondContact O-CG 3.5Å; R66-E70 PolarHBondContact O-N 3.28Å; R66-Y86 HydrophobicContact CG-CE2 4.04Å; R66-W89 HydrophobicContact CG-CH2 3.93Å; R66-W89 HydrophobicContact CG-CZ3 3.65Å; R66-E90 IonicContact CZ-OE1 3.67Å; R66-E90 IonicContact CZ-OE2 2.71Å; R66-E90 IonicContact NE-OE1 3.72Å; R66-E90 PolarHBondContact NE-OE1 3.11Å; R66-E90 IonicContact NE-OE2 2.87Å; R66-E90 VanDerWaalsContact NH2-CD 3.34Å; R66-E90 IonicContact NH2-OE1 3.96Å; R66-E90 PolarHBondContact NH2-OE1 3.41Å; R66-E90 VanDerWaalsContact NH2-OE1 3.13Å; R66-E90 IonicContact NH2-OE2 3.86Å; R66-E90 PolarHBondContact NH2-OE2 3.04Å; R66-E95 IonicContact CZ-OE1 3.63Å; R66-E95 IonicContact CZ-OE2 3.36Å; R66-E95 IonicContact NH1-OE2 2.72Å; R66-E95 IonicContact NH2-OE1 3.16Å; R66-E95 PolarHBondContact NH2-OE1 3.31Å; R66-E95 IonicContact NH2-OE2 2.7Å; R66-E95 PolarHBondContact NH2-OE2 2.92Å
67	K	93.9	Very high	90.5	Very high	129 Å²	129	80.3 Å²	80.3	56%	0.561	37%	0.374	S	S	*	.	H	α-helix	trans	-58	-47.3	174.6	-178.9	173.4	178.8	179.3	0	111.1	L63 F69 E70 D71	L63-K67 VanDerWaalsContact O-CB 3.28Å; L63-K67 WeakPolarHBondContact O-CB 3.49Å; L63-K67 PolarHBondContact O-N 3.42Å; K67-F69 VanDerWaalsContact C-N 3.34Å; K67-F69 PolarHBondContact O-N 3.21Å; K67-E70 PolarHBondContact O-N 2.98Å; K67-D71 WeakPolarHBondContact CE-OD2 3.5Å; K67-D71 VanDerWaalsContact CG-OD2 3.29Å; K67-D71 WeakPolarHBondContact CG-OD2 3.39Å; K67-D71 WeakPolarHBondContact O-CB 3.5Å; K67-D71 VanDerWaalsContact O-CG 3.24Å; K67-D71 PolarHBondContact O-N 2.96Å
68	G	93	Very high	90.5	Very high	31 Å²	31	82.3 Å²	82.3	32%	0.32	39%	0.391	S	S	.	.	H	α-helix	trans	-58.2	-41.9	175.3	0	0	0	0	0	113.6	K64 K65 R66 N72	K64-G68 PolarHBondContact O-N 3.47Å; K64-G68 VanDerWaalsContact O-N 3.08Å; K65-G68 PolarHBondContact O-N 2.98Å; R66-G68 PolarHBondContact O-N 2.94Å; G68-N72 VanDerWaalsContact O-CB 3.31Å; G68-N72 WeakPolarHBondContact O-CB 3.4Å; G68-N72 PolarHBondContact O-N 2.97Å; G68-N72 VanDerWaalsContact O-N 3.12Å; G68-N72 PolarHBondContact O-ND2 3.41Å
69	F	92.9	Very high	90.6	Very high	33 Å²	33	82.2 Å²	82.2	15%	0.145	39%	0.393	C	S	.	.	H	α-helix	trans	-70.4	-47.6	176.6	-73.5	-59.9	0	0	0	112.9	K65 R66 K67 N72 I73 K85 Y86 W89	K65-F69 WeakPolarHBondContact O-CD2 3.33Å; K65-F69 PolarHBondContact O-N 3.05Å; R66-F69 PolarHBondContact O-N 3.27Å; K67-F69 VanDerWaalsContact C-N 3.34Å; K67-F69 PolarHBondContact O-N 3.21Å; F69-N72 PolarHBondContact O-N 3.06Å; F69-I73 VanDerWaalsContact O-CB 3.31Å; F69-I73 WeakPolarHBondContact O-CB 3.36Å; F69-I73 WeakPolarHBondContact O-CG1 3.38Å; F69-I73 PolarHBondContact O-N 2.75Å; F69-K85 HydrophobicContact CE1-CB 4.19Å; F69-Y86 HydrophobicContact CB-CD1 3.98Å; F69-Y86 HydrophobicContact CB-CD2 3.68Å; F69-Y86 HydrophobicContact CB-CE1 4.41Å; F69-Y86 HydrophobicContact CB-CE2 4.17Å; F69-Y86 HydrophobicContact CB-CG 3.58Å; F69-Y86 HydrophobicContact CD1-CG 4.42Å; F69-Y86 AromaticContact CD2-CD2 3.51Å; F69-Y86 HydrophobicContact CD2-CD2 3.51Å; F69-Y86 HydrophobicContact CD2-CE2 4.18Å; F69-Y86 HydrophobicContact CD2-CG 4.1Å; F69-Y86 HydrophobicContact CE2-CD2 4.26Å; F69-Y86 AromaticContact CG-CD2 3.72Å; F69-Y86 HydrophobicContact CG-CD2 3.72Å; F69-Y86 AromaticContact CG-CG 3.82Å; F69-Y86 HydrophobicContact CG-CG 3.82Å; F69-W89 HydrophobicContact CD2-CD2 4.43Å; F69-W89 HydrophobicContact CD2-CE3 4.19Å; F69-W89 HydrophobicContact CE2-CB 3.94Å; F69-W89 AromaticContact CE2-CD2 3.76Å; F69-W89 HydrophobicContact CE2-CD2 3.76Å; F69-W89 AromaticContact CE2-CE3 3.96Å; F69-W89 HydrophobicContact CE2-CE3 3.96Å; F69-W89 AromaticContact CE2-CG 3.76Å; F69-W89 HydrophobicContact CE2-CG 3.76Å; F69-W89 HydrophobicContact CZ-CB 4.15Å; F69-W89 HydrophobicContact CZ-CG 4.29Å
70	E	92.8	Very high	90.5	Very high	44 Å²	44	78.7 Å²	78.7	21%	0.206	37%	0.374	C	S	.	.	H	α-helix	trans	-66.4	-35.2	178.7	-69.3	-75.2	-179.5	0	0	112.3	R66 K67 I73 R74 Y86 R105	R66-E70 WeakPolarHBondContact O-CB 3.41Å; R66-E70 WeakPolarHBondContact O-CG 3.5Å; R66-E70 PolarHBondContact O-N 3.28Å; K67-E70 PolarHBondContact O-N 2.98Å; E70-I73 PolarHBondContact O-N 3.46Å; E70-R74 VanDerWaalsContact O-CB 3.31Å; E70-R74 WeakPolarHBondContact O-CB 3.27Å; E70-R74 PolarHBondContact O-N 3.1Å; E70-Y86 HydrophobicContact CG-CE1 4.11Å; E70-Y86 WeakPolarHBondContact OE1-CE1 3.42Å; E70-Y86 PolarHBondContact OE1-OH 2.92Å; E70-R105 IonicContact OE1-CZ 3.49Å; E70-R105 IonicContact OE1-NH1 2.72Å; E70-R105 PolarHBondContact OE1-NH1 3.33Å; E70-R105 IonicContact OE1-NH2 3.21Å; E70-R105 PolarHBondContact OE1-NH2 3.36Å; E70-R105 IonicContact OE2-CZ 3.19Å; E70-R105 IonicContact OE2-NH1 2.92Å; E70-R105 IonicContact OE2-NH2 2.69Å; E70-R105 PolarHBondContact OE2-NH2 3.3Å
71	D	93	Very high	90.7	Very high	41 Å²	41	77.2 Å²	77.2	22%	0.219	37%	0.37	C	S	.	.	H	α-helix	trans	-70.8	-35.9	174	-71.7	-19.7	0	0	0	111.4	K67 R74 K75	K67-D71 WeakPolarHBondContact CE-OD2 3.5Å; K67-D71 VanDerWaalsContact CG-OD2 3.29Å; K67-D71 WeakPolarHBondContact CG-OD2 3.39Å; K67-D71 WeakPolarHBondContact O-CB 3.5Å; K67-D71 VanDerWaalsContact O-CG 3.24Å; K67-D71 PolarHBondContact O-N 2.96Å; D71-R74 PolarHBondContact O-N 2.94Å; D71-R74 IonicContact OD1-CZ 3.47Å; D71-R74 VanDerWaalsContact OD1-CZ 3.29Å; D71-R74 IonicContact OD1-NH1 3.53Å; D71-R74 PolarHBondContact OD1-NH1 3.41Å; D71-R74 IonicContact OD1-NH2 3.5Å; D71-R74 PolarHBondContact OD1-NH2 2.82Å; D71-K75 VanDerWaalsContact O-CG 3.29Å; D71-K75 WeakPolarHBondContact O-CG 3.47Å; D71-K75 PolarHBondContact O-N 3.43Å; D71-K75 VanDerWaalsContact O-N 3.08Å
72	N	92.2	Very high	90.8	Very high	73 Å²	73	73.8 Å²	73.8	39%	0.39	36%	0.359	S	S	.	.	H	α-helix	trans	-69	-36.4	171.9	-74.9	-16	0	0	0	112.2	G68 F69 N76	G68-N72 VanDerWaalsContact O-CB 3.31Å; G68-N72 WeakPolarHBondContact O-CB 3.4Å; G68-N72 PolarHBondContact O-N 2.97Å; G68-N72 VanDerWaalsContact O-N 3.12Å; G68-N72 PolarHBondContact O-ND2 3.41Å; F69-N72 PolarHBondContact O-N 3.06Å; N72-N76 PolarHBondContact O-N 3.32Å
73	I	91.9	Very high	91	Very high	6 Å²	6	72.7 Å²	72.7	3%	0.031	35%	0.354	C	S	.	.	H	α-helix	trans	-66.9	-39.3	172.4	-85.5	166.1	0	0	0	111.5	F69 E70 N76 R77 N82 W83 Y86	F69-I73 VanDerWaalsContact O-CB 3.31Å; F69-I73 WeakPolarHBondContact O-CB 3.36Å; F69-I73 WeakPolarHBondContact O-CG1 3.38Å; F69-I73 PolarHBondContact O-N 2.75Å; E70-I73 PolarHBondContact O-N 3.46Å; I73-N76 CarbonylContact O-C 3.57Å; I73-N76 PolarHBondContact O-N 3.46Å; I73-R77 WeakPolarHBondContact O-CA 3.34Å; I73-R77 PolarHBondContact O-N 2.87Å; I73-N82 HydrophobicContact CG1-CB 4.18Å; I73-W83 HydrophobicContact CB-CZ2 4.22Å; I73-W83 HydrophobicContact CD1-CD2 3.87Å; I73-W83 HydrophobicContact CD1-CE3 3.88Å; I73-W83 HydrophobicContact CD1-CG 4.43Å; I73-W83 HydrophobicContact CD1-CH2 4.16Å; I73-W83 HydrophobicContact CD1-CZ2 4.18Å; I73-W83 HydrophobicContact CD1-CZ3 4.03Å; I73-W83 HydrophobicContact CG1-CD2 4.13Å; I73-W83 HydrophobicContact CG1-CH2 4.48Å; I73-W83 HydrophobicContact CG1-CZ2 4.04Å; I73-W83 HydrophobicContact CG2-CH2 3.55Å; I73-W83 HydrophobicContact CG2-CZ2 3.25Å; I73-W83 HydrophobicContact CG2-CZ3 4.45Å; I73-Y86 HydrophobicContact CD1-CD1 3.65Å; I73-Y86 HydrophobicContact CD1-CE1 4.37Å
74	R	90.9	Very high	91.1	Very high	181 Å²	181	68.8 Å²	68.8	68%	0.683	33%	0.334	S	S	*	.	H	α-helix	trans	-66.5	-37.6	176.9	-166.7	-176.9	-54.6	119.4	16	111.8	E70 D71	E70-R74 VanDerWaalsContact O-CB 3.31Å; E70-R74 WeakPolarHBondContact O-CB 3.27Å; E70-R74 PolarHBondContact O-N 3.1Å; D71-R74 PolarHBondContact O-N 2.94Å; D71-R74 IonicContact OD1-CZ 3.47Å; D71-R74 VanDerWaalsContact OD1-CZ 3.29Å; D71-R74 IonicContact OD1-NH1 3.53Å; D71-R74 PolarHBondContact OD1-NH1 3.41Å; D71-R74 IonicContact OD1-NH2 3.5Å; D71-R74 PolarHBondContact OD1-NH2 2.82Å
75	K	90.4	Very high	91.2	Very high	157 Å²	157	67.5 Å²	67.5	68%	0.683	33%	0.328	S	S	*	.	H	α-helix	trans	-68.6	-49.7	172.7	-69.7	167.8	-176	178.5	0	111.7	D71	D71-K75 VanDerWaalsContact O-CG 3.29Å; D71-K75 WeakPolarHBondContact O-CG 3.47Å; D71-K75 PolarHBondContact O-N 3.43Å; D71-K75 VanDerWaalsContact O-N 3.08Å
76	N	87.4	Confident	91.3	Very high	84 Å²	84	64.3 Å²	64.3	45%	0.449	31%	0.314	S	S	.	.			trans	-123.1	62.7	-168.9	-65.4	-8	0	0	0	111.5	N72 I73 T78 V79	N72-N76 PolarHBondContact O-N 3.32Å; I73-N76 CarbonylContact O-C 3.57Å; I73-N76 PolarHBondContact O-N 3.46Å; N76-T78 PolarHBondContact O-N 3.31Å; N76-V79 HydrophobicContact CB-CB 4.08Å; N76-V79 HydrophobicContact CB-CG2 3.88Å; N76-V79 PolarHBondContact O-N 3.29Å; N76-V79 VanDerWaalsContact O-N 3.07Å
77	R	86.4	Confident	91.3	Very high	107 Å²	107	62.6 Å²	62.6	40%	0.404	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-34.1	-174.8	175.6	60.8	161.7	149.1	6.2	113.6	I73 W83 R105 V109	I73-R77 WeakPolarHBondContact O-CA 3.34Å; I73-R77 PolarHBondContact O-N 2.87Å; R77-W83 PolarHBondContact O-NE1 2.99Å; R77-R105 PolarHBondContact NH1-O 3.17Å; R77-V109 HydrophobicContact CG-CG2 4.26Å
78	T	86.5	Confident	91.2	Very high	109 Å²	109	60.2 Å²	60.2	67%	0.669	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-13.4	-179.1	52.2	0	0	0	0	114.7	N76 I80	N76-T78 PolarHBondContact O-N 3.31Å; T78-I80 PolarHBondContact O-N 3.2Å; T78-I80 VanDerWaalsContact O-N 3.07Å
79	V	88.6	Confident	91.3	Very high	57 Å²	57	60 Å²	60	35%	0.345	29%	0.288	S	S	.	.			trans	-85.2	90.9	-174.1	179.4	0	0	0	0	110	N76 S81 N82	N76-V79 HydrophobicContact CB-CB 4.08Å; N76-V79 HydrophobicContact CB-CG2 3.88Å; N76-V79 PolarHBondContact O-N 3.29Å; N76-V79 VanDerWaalsContact O-N 3.07Å; V79-S81 WeakPolarHBondContact CG1-OG 3.39Å; V79-S81 PolarHBondContact O-N 3.05Å; V79-S81 VanDerWaalsContact O-N 3.1Å; V79-N82 WeakPolarHBondContact O-CB 3.46Å; V79-N82 PolarHBondContact O-N 3.26Å
80	I	86.8	Confident	91.3	Very high	19 Å²	19	58.4 Å²	58.4	10%	0.097	28%	0.281	C	S	.	.	H	α-helix	trans	-61.4	-21.5	-172.4	-64.9	158.2	0	0	0	113.2	T78 N82 W83 I84 D110 N113 L116	T78-I80 PolarHBondContact O-N 3.2Å; T78-I80 VanDerWaalsContact O-N 3.07Å; I80-N82 VanDerWaalsContact C-N 3.25Å; I80-N82 PolarHBondContact O-N 3.29Å; I80-W83 WeakPolarHBondContact O-CB 3.35Å; I80-W83 PolarHBondContact O-N 3.42Å; I80-I84 HydrophobicContact CG2-CD1 3.87Å; I80-I84 HydrophobicContact CG2-CG1 4.15Å; I80-I84 WeakPolarHBondContact O-CG1 3.45Å; I80-I84 PolarHBondContact O-N 3Å; I80-D110 HydrophobicContact CD1-CB 3.62Å; I80-D110 WeakPolarHBondContact CD1-OD2 3.34Å; I80-N113 HydrophobicContact CD1-CB 3.9Å; I80-N113 WeakPolarHBondContact CD1-ND2 3.14Å; I80-L116 HydrophobicContact CG2-CB 4.34Å; I80-L116 HydrophobicContact CG2-CD1 4.13Å; I80-L116 HydrophobicContact CG2-CD2 4.38Å
81	S	91.1	Very high	91.2	Very high	58 Å²	58	58.4 Å²	58.4	41%	0.406	28%	0.281	S	S	.	.	H	α-helix	trans	-65	-25.7	171.8	72	0	0	0	0	113.5	V79 K85	V79-S81 WeakPolarHBondContact CG1-OG 3.39Å; V79-S81 PolarHBondContact O-N 3.05Å; V79-S81 VanDerWaalsContact O-N 3.1Å; S81-K85 VanDerWaalsContact O-CB 3.29Å; S81-K85 WeakPolarHBondContact O-CB 3.38Å; S81-K85 WeakPolarHBondContact O-CD 3.4Å; S81-K85 WeakPolarHBondContact O-CG 3.31Å; S81-K85 PolarHBondContact O-N 2.85Å; S81-K85 VanDerWaalsContact O-N 3.09Å
82	N	92.1	Very high	91.1	Very high	26 Å²	26	60.7 Å²	60.7	14%	0.139	30%	0.3	C	S	.	.	H	α-helix	trans	-70.8	-43.4	171.8	-68.2	-29	0	0	0	111.2	I73 V79 I80 K85 Y86	I73-N82 HydrophobicContact CG1-CB 4.18Å; V79-N82 WeakPolarHBondContact O-CB 3.46Å; V79-N82 PolarHBondContact O-N 3.26Å; I80-N82 VanDerWaalsContact C-N 3.25Å; I80-N82 PolarHBondContact O-N 3.29Å; N82-K85 PolarHBondContact O-N 2.85Å; N82-Y86 WeakPolarHBondContact O-CB 3.3Å; N82-Y86 PolarHBondContact O-N 3.33Å
83	W	93.6	Very high	90.9	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-49.4	176.6	-68.1	94	0	0	0	111.7	I73 R77 I80 Y86 A87 I102 R105 A106	I73-W83 HydrophobicContact CB-CZ2 4.22Å; I73-W83 HydrophobicContact CD1-CD2 3.87Å; I73-W83 HydrophobicContact CD1-CE3 3.88Å; I73-W83 HydrophobicContact CD1-CG 4.43Å; I73-W83 HydrophobicContact CD1-CH2 4.16Å; I73-W83 HydrophobicContact CD1-CZ2 4.18Å; I73-W83 HydrophobicContact CD1-CZ3 4.03Å; I73-W83 HydrophobicContact CG1-CD2 4.13Å; I73-W83 HydrophobicContact CG1-CH2 4.48Å; I73-W83 HydrophobicContact CG1-CZ2 4.04Å; I73-W83 HydrophobicContact CG2-CH2 3.55Å; I73-W83 HydrophobicContact CG2-CZ2 3.25Å; I73-W83 HydrophobicContact CG2-CZ3 4.45Å; R77-W83 PolarHBondContact O-NE1 2.99Å; I80-W83 WeakPolarHBondContact O-CB 3.35Å; I80-W83 PolarHBondContact O-N 3.42Å; W83-Y86 PolarHBondContact O-N 3.07Å; W83-A87 WeakPolarHBondContact O-CB 3.48Å; W83-A87 PolarHBondContact O-N 2.84Å; W83-I102 HydrophobicContact CE3-CG2 3.81Å; W83-I102 HydrophobicContact CZ3-CG2 4.32Å; W83-R105 HydrophobicContact CH2-CB 4.14Å; W83-R105 HydrophobicContact CZ3-CB 3.68Å; W83-A106 HydrophobicContact CB-CB 3.85Å; W83-A106 HydrophobicContact CD2-CB 3.74Å; W83-A106 HydrophobicContact CE3-CB 3.73Å; W83-A106 HydrophobicContact CG-CB 3.79Å
84	I	93.2	Very high	90.8	Very high	25 Å²	25	67.6 Å²	67.6	13%	0.128	33%	0.328	C	S	.	.	H	α-helix	trans	-62.8	-45	178.1	-66.6	172	0	0	0	111	I80 Y86 A87 Q88 L116 K119	I80-I84 HydrophobicContact CG2-CD1 3.87Å; I80-I84 HydrophobicContact CG2-CG1 4.15Å; I80-I84 WeakPolarHBondContact O-CG1 3.45Å; I80-I84 PolarHBondContact O-N 3Å; I84-Y86 VanDerWaalsContact C-N 3.31Å; I84-Y86 PolarHBondContact O-N 3.49Å; I84-A87 PolarHBondContact O-N 3.16Å; I84-Q88 HydrophobicContact CG2-CG 4.24Å; I84-Q88 VanDerWaalsContact O-CB 3.32Å; I84-Q88 WeakPolarHBondContact O-CB 3.33Å; I84-Q88 VanDerWaalsContact O-CG 3.25Å; I84-Q88 WeakPolarHBondContact O-CG 3.46Å; I84-Q88 PolarHBondContact O-N 2.84Å; I84-L116 HydrophobicContact CG1-CD1 4.05Å; I84-K119 HydrophobicContact CG2-CG 4.49Å
85	K	93.3	Very high	90.7	Very high	123 Å²	123	61.4 Å²	61.4	54%	0.535	31%	0.307	S	S	.	.	H	α-helix	trans	-62.2	-36.4	177.5	-75.7	169.4	-175.5	173.7	0	112.9	F69 S81 N82 W89	F69-K85 HydrophobicContact CE1-CB 4.19Å; S81-K85 VanDerWaalsContact O-CB 3.29Å; S81-K85 WeakPolarHBondContact O-CB 3.38Å; S81-K85 WeakPolarHBondContact O-CD 3.4Å; S81-K85 WeakPolarHBondContact O-CG 3.31Å; S81-K85 PolarHBondContact O-N 2.85Å; S81-K85 VanDerWaalsContact O-N 3.09Å; N82-K85 PolarHBondContact O-N 2.85Å; K85-W89 WeakPolarHBondContact O-CB 3.43Å; K85-W89 PolarHBondContact O-N 3.06Å
86	Y	94.3	Very high	90.7	Very high	9 Å²	9	56 Å²	56	4%	0.035	29%	0.285	C	S	.	.	H	α-helix	trans	-71.8	-46.8	176.7	-178.9	-155.2	0	0	0	111.5	R66 F69 E70 I73 N82 W83 I84 Q88 W89 E90 I102	R66-Y86 HydrophobicContact CG-CE2 4.04Å; F69-Y86 HydrophobicContact CB-CD1 3.98Å; F69-Y86 HydrophobicContact CB-CD2 3.68Å; F69-Y86 HydrophobicContact CB-CE1 4.41Å; F69-Y86 HydrophobicContact CB-CE2 4.17Å; F69-Y86 HydrophobicContact CB-CG 3.58Å; F69-Y86 HydrophobicContact CD1-CG 4.42Å; F69-Y86 AromaticContact CD2-CD2 3.51Å; F69-Y86 HydrophobicContact CD2-CD2 3.51Å; F69-Y86 HydrophobicContact CD2-CE2 4.18Å; F69-Y86 HydrophobicContact CD2-CG 4.1Å; F69-Y86 HydrophobicContact CE2-CD2 4.26Å; F69-Y86 AromaticContact CG-CD2 3.72Å; F69-Y86 HydrophobicContact CG-CD2 3.72Å; F69-Y86 AromaticContact CG-CG 3.82Å; F69-Y86 HydrophobicContact CG-CG 3.82Å; E70-Y86 HydrophobicContact CG-CE1 4.11Å; E70-Y86 WeakPolarHBondContact OE1-CE1 3.42Å; E70-Y86 PolarHBondContact OE1-OH 2.92Å; I73-Y86 HydrophobicContact CD1-CD1 3.65Å; I73-Y86 HydrophobicContact CD1-CE1 4.37Å; N82-Y86 WeakPolarHBondContact O-CB 3.3Å; N82-Y86 PolarHBondContact O-N 3.33Å; W83-Y86 PolarHBondContact O-N 3.07Å; I84-Y86 VanDerWaalsContact C-N 3.31Å; I84-Y86 PolarHBondContact O-N 3.49Å; Y86-Q88 PolarHBondContact O-N 2.92Å; Y86-W89 HydrophobicContact CD2-CE3 4.05Å; Y86-W89 HydrophobicContact CE2-CE3 4.12Å; Y86-W89 HydrophobicContact CE2-CZ3 4.13Å; Y86-W89 PolarHBondContact O-N 2.85Å; Y86-W89 VanDerWaalsContact O-N 3.09Å; Y86-E90 HydrophobicContact CD2-CG 4.21Å; Y86-E90 HydrophobicContact CE2-CG 3.91Å; Y86-E90 PolarHBondContact O-N 3.11Å; Y86-I102 HydrophobicContact CD1-CD1 3.64Å; Y86-I102 HydrophobicContact CD1-CG1 3.91Å; Y86-I102 HydrophobicContact CD1-CG2 3.83Å; Y86-I102 HydrophobicContact CD2-CD1 3.99Å; Y86-I102 HydrophobicContact CE1-CD1 3.47Å; Y86-I102 VanDerWaalsContact CE1-CD1 3.47Å; Y86-I102 HydrophobicContact CE1-CG1 3.7Å; Y86-I102 HydrophobicContact CE1-CG2 4.44Å; Y86-I102 HydrophobicContact CE2-CD1 3.81Å; Y86-I102 HydrophobicContact CG-CD1 3.91Å; Y86-I102 HydrophobicContact CG-CG2 4.37Å
87	A	93.1	Very high	90.9	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-40.7	177.8	0	0	0	0	0	112.5	W83 I84 W89 E90 E91 I102 Y103	W83-A87 WeakPolarHBondContact O-CB 3.48Å; W83-A87 PolarHBondContact O-N 2.84Å; I84-A87 PolarHBondContact O-N 3.16Å; A87-W89 VanDerWaalsContact C-N 3.28Å; A87-W89 PolarHBondContact O-N 3.1Å; A87-E90 PolarHBondContact O-N 3.34Å; A87-E91 WeakPolarHBondContact O-CB 3.26Å; A87-E91 PolarHBondContact O-N 3.29Å; A87-I102 HydrophobicContact CB-CB 4.3Å; A87-I102 HydrophobicContact CB-CG2 3.89Å; A87-Y103 HydrophobicContact CB-CD1 4.31Å; A87-Y103 HydrophobicContact CB-CD2 4Å; A87-Y103 HydrophobicContact CB-CE1 3.91Å; A87-Y103 HydrophobicContact CB-CE2 3.57Å; A87-Y103 HydrophobicContact CB-CG 4.35Å
88	Q	92.8	Very high	91.1	Very high	79 Å²	79	59 Å²	59	37%	0.369	30%	0.296	S	S	.	.	H	α-helix	trans	-66	-27.1	173.9	-74.1	175.9	-9.4	0	0	113.4	I84 Y86 S92	I84-Q88 HydrophobicContact CG2-CG 4.24Å; I84-Q88 VanDerWaalsContact O-CB 3.32Å; I84-Q88 WeakPolarHBondContact O-CB 3.33Å; I84-Q88 VanDerWaalsContact O-CG 3.25Å; I84-Q88 WeakPolarHBondContact O-CG 3.46Å; I84-Q88 PolarHBondContact O-N 2.84Å; Y86-Q88 PolarHBondContact O-N 2.92Å; Q88-S92 PolarHBondContact O-N 2.93Å; Q88-S92 VanDerWaalsContact O-N 3.09Å
89	W	94.5	Very high	91.4	Very high	27 Å²	27	53.8 Å²	53.8	10%	0.102	26%	0.264	C	S	.	.	H	α-helix	trans	-77.8	-36	174.7	176.1	82.7	0	0	0	111.8	Y61 K62 K65 R66 F69 K85 Y86 A87 S92 L93	Y61-W89 HydrophobicContact CD1-CZ2 4.38Å; Y61-W89 AromaticContact CE1-CZ2 3.95Å; Y61-W89 HydrophobicContact CE1-CZ2 3.95Å; Y61-W89 AromaticContact CE1-NE1 3.97Å; K62-W89 HydrophobicContact CB-CH2 4.14Å; K62-W89 HydrophobicContact CG-CH2 4.07Å; K62-W89 HydrophobicContact CG-CZ2 4.36Å; K65-W89 HydrophobicContact CB-CH2 3.64Å; K65-W89 HydrophobicContact CB-CZ2 3.29Å; K65-W89 HydrophobicContact CB-CZ3 4.39Å; K65-W89 HydrophobicContact CG-CZ2 3.77Å; R66-W89 HydrophobicContact CG-CH2 3.93Å; R66-W89 HydrophobicContact CG-CZ3 3.65Å; F69-W89 HydrophobicContact CD2-CD2 4.43Å; F69-W89 HydrophobicContact CD2-CE3 4.19Å; F69-W89 HydrophobicContact CE2-CB 3.94Å; F69-W89 AromaticContact CE2-CD2 3.76Å; F69-W89 HydrophobicContact CE2-CD2 3.76Å; F69-W89 AromaticContact CE2-CE3 3.96Å; F69-W89 HydrophobicContact CE2-CE3 3.96Å; F69-W89 AromaticContact CE2-CG 3.76Å; F69-W89 HydrophobicContact CE2-CG 3.76Å; F69-W89 HydrophobicContact CZ-CB 4.15Å; F69-W89 HydrophobicContact CZ-CG 4.29Å; K85-W89 WeakPolarHBondContact O-CB 3.43Å; K85-W89 PolarHBondContact O-N 3.06Å; Y86-W89 HydrophobicContact CD2-CE3 4.05Å; Y86-W89 HydrophobicContact CE2-CE3 4.12Å; Y86-W89 HydrophobicContact CE2-CZ3 4.13Å; Y86-W89 PolarHBondContact O-N 2.85Å; Y86-W89 VanDerWaalsContact O-N 3.09Å; A87-W89 VanDerWaalsContact C-N 3.28Å; A87-W89 PolarHBondContact O-N 3.1Å; W89-S92 PolarHBondContact O-N 3.15Å; W89-S92 PolarHBondContact O-OG 2.76Å; W89-L93 HydrophobicContact CD2-CD1 4.08Å; W89-L93 HydrophobicContact CE3-CD1 4.11Å; W89-L93 HydrophobicContact CH2-CD1 3.58Å; W89-L93 HydrophobicContact CZ2-CD1 3.54Å; W89-L93 HydrophobicContact CZ3-CD1 3.87Å; W89-L93 WeakPolarHBondContact O-CG 3.42Å; W89-L93 PolarHBondContact O-N 2.77Å
90	E	91.6	Very high	91.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-70.4	-33.3	169.1	-62.8	-73.7	-165	0	0	112.1	R66 Y86 A87 L93 K94 E95 R98 A99 I102	R66-E90 IonicContact CZ-OE1 3.67Å; R66-E90 IonicContact CZ-OE2 2.71Å; R66-E90 IonicContact NE-OE1 3.72Å; R66-E90 PolarHBondContact NE-OE1 3.11Å; R66-E90 IonicContact NE-OE2 2.87Å; R66-E90 VanDerWaalsContact NH2-CD 3.34Å; R66-E90 IonicContact NH2-OE1 3.96Å; R66-E90 PolarHBondContact NH2-OE1 3.41Å; R66-E90 VanDerWaalsContact NH2-OE1 3.13Å; R66-E90 IonicContact NH2-OE2 3.86Å; R66-E90 PolarHBondContact NH2-OE2 3.04Å; Y86-E90 HydrophobicContact CD2-CG 4.21Å; Y86-E90 HydrophobicContact CE2-CG 3.91Å; Y86-E90 PolarHBondContact O-N 3.11Å; A87-E90 PolarHBondContact O-N 3.34Å; E90-L93 CarbonylContact O-C 3.59Å; E90-L93 PolarHBondContact O-N 2.54Å; E90-K94 PolarHBondContact O-N 3.38Å; E90-K94 VanDerWaalsContact O-N 3.15Å; E90-E95 PolarHBondContact O-N 2.71Å; E90-R98 HydrophobicContact CB-CB 4.43Å; E90-R98 HydrophobicContact CG-CB 4.18Å; E90-R98 WeakPolarHBondContact OE1-CD 3.28Å; E90-A99 HydrophobicContact CB-CB 4.21Å; E90-I102 HydrophobicContact CB-CD1 4.44Å; E90-I102 HydrophobicContact CG-CD1 3.65Å
91	E	90.6	Very high	92	Very high	43 Å²	43	54.8 Å²	54.8	20%	0.201	27%	0.27	C	S	.	.	H	α-helix	trans	-57.5	-47.8	170.7	179.4	-169.9	153.9	0	0	111	A87 L93 K94 M123 K126	A87-E91 WeakPolarHBondContact O-CB 3.26Å; A87-E91 PolarHBondContact O-N 3.29Å; E91-L93 PolarHBondContact O-N 3.42Å; E91-K94 WeakPolarHBondContact O-CA 3.33Å; E91-K94 PolarHBondContact O-N 2.8Å; E91-M123 HydrophobicContact CB-CG 4.18Å; E91-M123 HydrophobicContact CG-CG 3.79Å; E91-K126 WeakPolarHBondContact OE1-CD 3.22Å; E91-K126 WeakPolarHBondContact OE1-CE 3.21Å; E91-K126 IonicContact OE1-NZ 3.86Å; E91-K126 PolarHBondContact OE1-NZ 2.94Å; E91-K126 IonicContact OE2-NZ 3.47Å
92	S	91.7	Very high	92.1	Very high	89 Å²	89	52.2 Å²	52.2	62%	0.622	25%	0.252	S	S	*	.	H	α-helix	trans	-68	-24.3	179.8	72.3	0	0	0	0	113.5	Q88 W89 K94	Q88-S92 PolarHBondContact O-N 2.93Å; Q88-S92 VanDerWaalsContact O-N 3.09Å; W89-S92 PolarHBondContact O-N 3.15Å; W89-S92 PolarHBondContact O-OG 2.76Å; S92-K94 VanDerWaalsContact C-N 3.31Å
93	L	89.1	Confident	92.2	Very high	50 Å²	50	51.1 Å²	51.1	26%	0.262	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-4	170	-67	172.2	0	0	0	113.9	K62 W89 E90 E91 E95	K62-L93 HydrophobicContact CD-CD1 4.44Å; K62-L93 HydrophobicContact CG-CD1 4.03Å; W89-L93 HydrophobicContact CD2-CD1 4.08Å; W89-L93 HydrophobicContact CE3-CD1 4.11Å; W89-L93 HydrophobicContact CH2-CD1 3.58Å; W89-L93 HydrophobicContact CZ2-CD1 3.54Å; W89-L93 HydrophobicContact CZ3-CD1 3.87Å; W89-L93 WeakPolarHBondContact O-CG 3.42Å; W89-L93 PolarHBondContact O-N 2.77Å; E90-L93 CarbonylContact O-C 3.59Å; E90-L93 PolarHBondContact O-N 2.54Å; E91-L93 PolarHBondContact O-N 3.42Å; L93-E95 PolarHBondContact O-N 3.28Å
94	K	88	Confident	92.2	Very high	175 Å²	175	53.3 Å²	53.3	76%	0.761	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	16	-172.4	-51.8	-178.1	-178.2	177.9	0	114.7	E90 E91 S92 I96	E90-K94 PolarHBondContact O-N 3.38Å; E90-K94 VanDerWaalsContact O-N 3.15Å; E91-K94 WeakPolarHBondContact O-CA 3.33Å; E91-K94 PolarHBondContact O-N 2.8Å; S92-K94 VanDerWaalsContact C-N 3.31Å; K94-I96 PolarHBondContact O-N 3.34Å
95	E	90.5	Very high	92.3	Very high	51 Å²	51	55.8 Å²	55.8	24%	0.238	26%	0.264	C	S	.	.			trans	-80.8	56.2	173.2	-75.7	-170.5	-127	0	0	110.7	K62 R66 E90 L93 Q97 R98 A99	K62-E95 WeakPolarHBondContact CE-OE1 3.32Å; K62-E95 IonicContact NZ-OE1 2.73Å; K62-E95 PolarHBondContact NZ-OE1 2.91Å; R66-E95 IonicContact CZ-OE1 3.63Å; R66-E95 IonicContact CZ-OE2 3.36Å; R66-E95 IonicContact NH1-OE2 2.72Å; R66-E95 IonicContact NH2-OE1 3.16Å; R66-E95 PolarHBondContact NH2-OE1 3.31Å; R66-E95 IonicContact NH2-OE2 2.7Å; R66-E95 PolarHBondContact NH2-OE2 2.92Å; E90-E95 PolarHBondContact O-N 2.71Å; L93-E95 PolarHBondContact O-N 3.28Å; E95-Q97 PolarHBondContact O-N 3.41Å; E95-Q97 VanDerWaalsContact O-N 3.11Å; E95-R98 HydrophobicContact CB-CB 4.48Å; E95-R98 WeakPolarHBondContact O-CA 3.47Å; E95-R98 WeakPolarHBondContact O-CB 3.49Å; E95-R98 PolarHBondContact O-N 2.92Å; E95-R98 VanDerWaalsContact OE2-CD 3.25Å; E95-R98 WeakPolarHBondContact OE2-CD 3.31Å; E95-R98 IonicContact OE2-CZ 3.18Å; E95-R98 IonicContact OE2-NE 3.77Å; E95-R98 PolarHBondContact OE2-NE 2.9Å; E95-A99 PolarHBondContact O-N 3.2Å
96	I	89.8	Confident	92.3	Very high	43 Å²	43	49.9 Å²	49.9	22%	0.221	24%	0.238	C	C	.	.	H	α-helix	trans	-52.5	-37.6	-173.4	-66.5	154.4	0	0	0	112.3	K94 R98 A99 R100 M123	K94-I96 PolarHBondContact O-N 3.34Å; I96-R98 VanDerWaalsContact C-N 3.27Å; I96-R98 PolarHBondContact O-N 3.43Å; I96-A99 WeakPolarHBondContact O-CB 3.21Å; I96-A99 PolarHBondContact O-N 3.13Å; I96-A99 VanDerWaalsContact O-N 3.09Å; I96-R100 HydrophobicContact CG2-CG 4.39Å; I96-R100 WeakPolarHBondContact O-CG 3.24Å; I96-R100 PolarHBondContact O-N 3.26Å; I96-M123 HydrophobicContact CG1-SD 4.32Å; I96-M123 HydrophobicContact CG2-CE 4.29Å; I96-M123 HydrophobicContact CG2-SD 3.86Å
97	Q	92.6	Very high	92.2	Very high	135 Å²	135	49.9 Å²	49.9	63%	0.631	24%	0.239	S	C	*	.	H	α-helix	trans	-66	-27.1	178.6	-164	63.9	16	0	0	113.3	E95 R100 S101	E95-Q97 PolarHBondContact O-N 3.41Å; E95-Q97 VanDerWaalsContact O-N 3.11Å; Q97-R100 VanDerWaalsContact OE1-CD 3.25Å; Q97-S101 PolarHBondContact O-N 3.44Å
98	R	90	Very high	92.1	Very high	118 Å²	118	55.7 Å²	55.7	45%	0.445	27%	0.27	S	S	.	.	H	α-helix	trans	-75.6	-43.2	167.7	-68.6	-174.1	-175.9	-92.7	-7.2	111.2	E90 E95 I96 R100 S101 I102	E90-R98 HydrophobicContact CB-CB 4.43Å; E90-R98 HydrophobicContact CG-CB 4.18Å; E90-R98 WeakPolarHBondContact OE1-CD 3.28Å; E95-R98 HydrophobicContact CB-CB 4.48Å; E95-R98 WeakPolarHBondContact O-CA 3.47Å; E95-R98 WeakPolarHBondContact O-CB 3.49Å; E95-R98 PolarHBondContact O-N 2.92Å; E95-R98 VanDerWaalsContact OE2-CD 3.25Å; E95-R98 WeakPolarHBondContact OE2-CD 3.31Å; E95-R98 IonicContact OE2-CZ 3.18Å; E95-R98 IonicContact OE2-NE 3.77Å; E95-R98 PolarHBondContact OE2-NE 2.9Å; I96-R98 VanDerWaalsContact C-N 3.27Å; I96-R98 PolarHBondContact O-N 3.43Å; R98-R100 VanDerWaalsContact C-N 3.3Å; R98-R100 PolarHBondContact O-N 3.32Å; R98-S101 PolarHBondContact O-N 3.06Å; R98-S101 VanDerWaalsContact O-N 3.09Å; R98-I102 WeakPolarHBondContact O-CD1 3.29Å; R98-I102 VanDerWaalsContact O-CG1 3.28Å; R98-I102 WeakPolarHBondContact O-CG1 3.46Å; R98-I102 PolarHBondContact O-N 2.99Å
99	A	92.8	Very high	92	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-55.9	-44.6	176.7	0	0	0	0	0	111.7	E90 E95 I96 I102 Y103 M123	E90-A99 HydrophobicContact CB-CB 4.21Å; E95-A99 PolarHBondContact O-N 3.2Å; I96-A99 WeakPolarHBondContact O-CB 3.21Å; I96-A99 PolarHBondContact O-N 3.13Å; I96-A99 VanDerWaalsContact O-N 3.09Å; A99-I102 PolarHBondContact O-N 3.04Å; A99-Y103 WeakPolarHBondContact O-CD2 3.43Å; A99-Y103 PolarHBondContact O-N 2.9Å; A99-M123 HydrophobicContact CB-CE 4.05Å; A99-M123 HydrophobicContact CB-SD 4.35Å
100	R	93.5	Very high	91.8	Very high	35 Å²	35	55.3 Å²	55.3	13%	0.132	27%	0.274	C	S	.	.	H	α-helix	trans	-52.9	-54.4	170.1	-72.4	167.5	179.3	-172.6	-10.3	112.1	I96 Q97 R98 I102 Y103 E104 Y120 M123 E124 H132	I96-R100 HydrophobicContact CG2-CG 4.39Å; I96-R100 WeakPolarHBondContact O-CG 3.24Å; I96-R100 PolarHBondContact O-N 3.26Å; Q97-R100 VanDerWaalsContact OE1-CD 3.25Å; R98-R100 VanDerWaalsContact C-N 3.3Å; R98-R100 PolarHBondContact O-N 3.32Å; R100-I102 VanDerWaalsContact C-N 3.26Å; R100-I102 PolarHBondContact O-N 3.35Å; R100-Y103 PolarHBondContact O-N 3.4Å; R100-Y103 VanDerWaalsContact O-N 3.13Å; R100-E104 WeakPolarHBondContact O-CG 3.3Å; R100-E104 PolarHBondContact O-N 3.18Å; R100-Y120 HydrophobicContact CB-CE2 4.4Å; R100-Y120 HydrophobicContact CG-CE2 4.02Å; R100-M123 HydrophobicContact CG-CE 4.25Å; R100-E124 WeakPolarHBondContact CG-OE1 3.44Å; R100-E124 IonicContact CZ-OE1 2.77Å; R100-E124 IonicContact CZ-OE2 3.46Å; R100-E124 IonicContact NE-OE1 3.97Å; R100-E124 PolarHBondContact NE-OE1 3Å; R100-E124 IonicContact NE-OE2 2.82Å; R100-E124 PolarHBondContact NE-OE2 3.03Å; R100-E124 IonicContact NH2-OE1 2.88Å; R100-E124 IonicContact NH2-OE2 3.57Å; R100-E124 PolarHBondContact NH2-OE2 3Å; R100-H132 PolarHBondContact NH1-NE2 3.03Å; R100-H132 PolarHBondContact NH2-CD2 2.81Å; R100-H132 PolarHBondContact NH2-CE1 3.38Å; R100-H132 VanDerWaalsContact NH2-CG 3.27Å; R100-H132 PolarHBondContact NH2-ND1 3.11Å; R100-H132 PolarHBondContact NH2-NE2 3.37Å
101	S	94.5	Very high	91.6	Very high	63 Å²	63	59.3 Å²	59.3	44%	0.441	29%	0.293	S	S	.	.	H	α-helix	trans	-59.7	-34.6	178.7	178.8	0	0	0	0	112.9	Q97 R98 R105	Q97-S101 PolarHBondContact O-N 3.44Å; R98-S101 PolarHBondContact O-N 3.06Å; R98-S101 VanDerWaalsContact O-N 3.09Å; S101-R105 WeakPolarHBondContact O-CB 3.34Å; S101-R105 WeakPolarHBondContact O-CD 3.41Å; S101-R105 WeakPolarHBondContact O-CG 3.17Å; S101-R105 PolarHBondContact O-N 3.42Å
102	I	93.1	Very high	91.6	Very high	4 Å²	4	65.9 Å²	65.9	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-71.8	-39.7	176	-63.6	158.3	0	0	0	111.1	W83 Y86 A87 E90 R98 A99 R100 A106	W83-I102 HydrophobicContact CE3-CG2 3.81Å; W83-I102 HydrophobicContact CZ3-CG2 4.32Å; Y86-I102 HydrophobicContact CD1-CD1 3.64Å; Y86-I102 HydrophobicContact CD1-CG1 3.91Å; Y86-I102 HydrophobicContact CD1-CG2 3.83Å; Y86-I102 HydrophobicContact CD2-CD1 3.99Å; Y86-I102 HydrophobicContact CE1-CD1 3.47Å; Y86-I102 VanDerWaalsContact CE1-CD1 3.47Å; Y86-I102 HydrophobicContact CE1-CG1 3.7Å; Y86-I102 HydrophobicContact CE1-CG2 4.44Å; Y86-I102 HydrophobicContact CE2-CD1 3.81Å; Y86-I102 HydrophobicContact CG-CD1 3.91Å; Y86-I102 HydrophobicContact CG-CG2 4.37Å; A87-I102 HydrophobicContact CB-CB 4.3Å; A87-I102 HydrophobicContact CB-CG2 3.89Å; E90-I102 HydrophobicContact CB-CD1 4.44Å; E90-I102 HydrophobicContact CG-CD1 3.65Å; R98-I102 WeakPolarHBondContact O-CD1 3.29Å; R98-I102 VanDerWaalsContact O-CG1 3.28Å; R98-I102 WeakPolarHBondContact O-CG1 3.46Å; R98-I102 PolarHBondContact O-N 2.99Å; A99-I102 PolarHBondContact O-N 3.04Å; R100-I102 VanDerWaalsContact C-N 3.26Å; R100-I102 PolarHBondContact O-N 3.35Å; I102-A106 WeakPolarHBondContact O-CB 3.49Å; I102-A106 PolarHBondContact O-N 2.76Å; I102-A106 VanDerWaalsContact O-N 3.07Å
103	Y	94	Very high	91.6	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-67.1	-47.1	175.7	-79	-60.5	0	0	0	112.1	A87 A99 R100 A106 L107 L116 K119 Y120 M123	A87-Y103 HydrophobicContact CB-CD1 4.31Å; A87-Y103 HydrophobicContact CB-CD2 4Å; A87-Y103 HydrophobicContact CB-CE1 3.91Å; A87-Y103 HydrophobicContact CB-CE2 3.57Å; A87-Y103 HydrophobicContact CB-CG 4.35Å; A99-Y103 WeakPolarHBondContact O-CD2 3.43Å; A99-Y103 PolarHBondContact O-N 2.9Å; R100-Y103 PolarHBondContact O-N 3.4Å; R100-Y103 VanDerWaalsContact O-N 3.13Å; Y103-A106 WeakPolarHBondContact O-CB 3.24Å; Y103-A106 PolarHBondContact O-N 2.96Å; Y103-A106 VanDerWaalsContact O-N 3.1Å; Y103-L107 WeakPolarHBondContact O-CG 3.41Å; Y103-L107 PolarHBondContact O-N 3.02Å; Y103-L116 HydrophobicContact CD1-CD1 3.69Å; Y103-L116 HydrophobicContact CE1-CD1 4.04Å; Y103-K119 HydrophobicContact CE1-CB 4.14Å; Y103-K119 PolarHBondContact OH-O 3.42Å; Y103-Y120 HydrophobicContact CD1-CG 4.31Å; Y103-Y120 AromaticContact CD2-CD2 3.49Å; Y103-Y120 HydrophobicContact CD2-CD2 3.49Å; Y103-Y120 VanDerWaalsContact CD2-CD2 3.49Å; Y103-Y120 HydrophobicContact CD2-CE2 4.23Å; Y103-Y120 AromaticContact CD2-CG 3.97Å; Y103-Y120 HydrophobicContact CD2-CG 3.97Å; Y103-Y120 HydrophobicContact CE2-CD2 4.3Å; Y103-Y120 HydrophobicContact CG-CD1 4.49Å; Y103-Y120 AromaticContact CG-CD2 3.71Å; Y103-Y120 HydrophobicContact CG-CD2 3.71Å; Y103-Y120 HydrophobicContact CG-CE2 4.47Å; Y103-Y120 AromaticContact CG-CG 3.72Å; Y103-Y120 HydrophobicContact CG-CG 3.72Å; Y103-M123 HydrophobicContact CD2-CE 4.02Å; Y103-M123 HydrophobicContact CE2-CB 4.14Å; Y103-M123 HydrophobicContact CE2-CE 4.04Å; Y103-M123 HydrophobicContact CE2-CG 4.26Å
104	E	94.1	Very high	91.8	Very high	49 Å²	49	63.8 Å²	63.8	23%	0.229	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-46.7	174.8	-58.6	-69.7	175.5	0	0	110.7	R100 A106 L107 D108 Y120 R139	R100-E104 WeakPolarHBondContact O-CG 3.3Å; R100-E104 PolarHBondContact O-N 3.18Å; E104-A106 PolarHBondContact O-N 2.74Å; E104-L107 PolarHBondContact O-N 3.23Å; E104-D108 VanDerWaalsContact O-CG 3.29Å; E104-D108 PolarHBondContact O-N 3.17Å; E104-Y120 HydrophobicContact CG-CE1 4.36Å; E104-Y120 WeakPolarHBondContact OE1-CE1 3.44Å; E104-Y120 PolarHBondContact OE1-OH 2.87Å; E104-R139 IonicContact OE1-CZ 3.48Å; E104-R139 IonicContact OE1-NH1 2.71Å; E104-R139 PolarHBondContact OE1-NH1 3.44Å; E104-R139 IonicContact OE1-NH2 2.9Å; E104-R139 IonicContact OE2-CZ 2.84Å; E104-R139 IonicContact OE2-NH1 3.87Å; E104-R139 PolarHBondContact OE2-NH1 3.46Å; E104-R139 IonicContact OE2-NH2 3.47Å; E104-R139 PolarHBondContact OE2-NH2 3.4Å
105	R	94	Very high	92	Very high	76 Å²	76	58.8 Å²	58.8	29%	0.287	28%	0.281	S	S	.	.	H	α-helix	trans	-58.8	-20.5	174.1	-78.7	170.8	63.6	-153.3	0.4	114.4	E70 R77 W83 S101 D108	E70-R105 IonicContact OE1-CZ 3.49Å; E70-R105 IonicContact OE1-NH1 2.72Å; E70-R105 PolarHBondContact OE1-NH1 3.33Å; E70-R105 IonicContact OE1-NH2 3.21Å; E70-R105 PolarHBondContact OE1-NH2 3.36Å; E70-R105 IonicContact OE2-CZ 3.19Å; E70-R105 IonicContact OE2-NH1 2.92Å; E70-R105 IonicContact OE2-NH2 2.69Å; E70-R105 PolarHBondContact OE2-NH2 3.3Å; R77-R105 PolarHBondContact NH1-O 3.17Å; W83-R105 HydrophobicContact CH2-CB 4.14Å; W83-R105 HydrophobicContact CZ3-CB 3.68Å; S101-R105 WeakPolarHBondContact O-CB 3.34Å; S101-R105 WeakPolarHBondContact O-CD 3.41Å; S101-R105 WeakPolarHBondContact O-CG 3.17Å; S101-R105 PolarHBondContact O-N 3.42Å; R105-D108 WeakPolarHBondContact CA-OD2 3.46Å
106	A	93	Very high	92.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-90	-35.6	175.1	0	0	0	0	0	111.7	W83 I102 Y103 E104 D108 V109 D110 L116	W83-A106 HydrophobicContact CB-CB 3.85Å; W83-A106 HydrophobicContact CD2-CB 3.74Å; W83-A106 HydrophobicContact CE3-CB 3.73Å; W83-A106 HydrophobicContact CG-CB 3.79Å; I102-A106 WeakPolarHBondContact O-CB 3.49Å; I102-A106 PolarHBondContact O-N 2.76Å; I102-A106 VanDerWaalsContact O-N 3.07Å; Y103-A106 WeakPolarHBondContact O-CB 3.24Å; Y103-A106 PolarHBondContact O-N 2.96Å; Y103-A106 VanDerWaalsContact O-N 3.1Å; E104-A106 PolarHBondContact O-N 2.74Å; A106-D108 VanDerWaalsContact C-N 3.26Å; A106-D108 PolarHBondContact O-N 3.01Å; A106-V109 WeakPolarHBondContact O-CA 3.3Å; A106-V109 WeakPolarHBondContact O-CB 3.18Å; A106-V109 PolarHBondContact O-N 2.9Å; A106-D110 PolarHBondContact O-N 3.24Å; A106-L116 HydrophobicContact CB-CD1 3.95Å; A106-L116 HydrophobicContact CB-CD2 3.59Å; A106-L116 HydrophobicContact CB-CG 4.36Å
107	L	92.1	Very high	92.4	Very high	9 Å²	9	54.4 Å²	54.4	5%	0.047	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-32.8	170.5	-68.4	171	0	0	0	111.1	Y103 E104 V109 D110 H111 L116 W117 Y120	Y103-L107 WeakPolarHBondContact O-CG 3.41Å; Y103-L107 PolarHBondContact O-N 3.02Å; E104-L107 PolarHBondContact O-N 3.23Å; L107-V109 PolarHBondContact O-N 2.79Å; L107-V109 VanDerWaalsContact O-N 3.14Å; L107-D110 CarbonylContact O-C 3.54Å; L107-D110 PolarHBondContact O-N 3.13Å; L107-H111 WeakPolarHBondContact O-CA 3.29Å; L107-H111 WeakPolarHBondContact O-CB 3.28Å; L107-H111 PolarHBondContact O-N 3.18Å; L107-L116 HydrophobicContact CD2-CD2 3.82Å; L107-L116 HydrophobicContact CD2-CG 4.05Å; L107-L116 HydrophobicContact CG-CD2 4.11Å; L107-L116 HydrophobicContact CG-CG 4.41Å; L107-W117 HydrophobicContact CD1-CD2 4.35Å; L107-W117 HydrophobicContact CD1-CE3 4.14Å; L107-W117 HydrophobicContact CD1-CH2 3.89Å; L107-W117 HydrophobicContact CD1-CZ2 4.12Å; L107-W117 HydrophobicContact CD1-CZ3 3.91Å; L107-W117 HydrophobicContact CD2-CD2 3.79Å; L107-W117 VanDerWaalsContact CD2-CE2 3.44Å; L107-W117 HydrophobicContact CD2-CE3 4.4Å; L107-W117 HydrophobicContact CD2-CG 4.11Å; L107-W117 HydrophobicContact CD2-CH2 4.4Å; L107-W117 HydrophobicContact CD2-CZ2 3.79Å; L107-Y120 HydrophobicContact CD1-CD1 3.99Å; L107-Y120 HydrophobicContact CD1-CE1 4.22Å
108	D	91.9	Very high	92.4	Very high	122 Å²	122	48.9 Å²	48.9	65%	0.652	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.8	168.4	-64.3	-29.1	0	0	0	113.9	E104 R105 A106	E104-D108 VanDerWaalsContact O-CG 3.29Å; E104-D108 PolarHBondContact O-N 3.17Å; R105-D108 WeakPolarHBondContact CA-OD2 3.46Å; A106-D108 VanDerWaalsContact C-N 3.26Å; A106-D108 PolarHBondContact O-N 3.01Å
109	V	90.5	Very high	92.6	Very high	47 Å²	47	46.9 Å²	46.9	29%	0.285	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-50.1	173.4	-174.8	0	0	0	0	110.7	R77 A106 L107	R77-V109 HydrophobicContact CG-CG2 4.26Å; A106-V109 WeakPolarHBondContact O-CA 3.3Å; A106-V109 WeakPolarHBondContact O-CB 3.18Å; A106-V109 PolarHBondContact O-N 2.9Å; L107-V109 PolarHBondContact O-N 2.79Å; L107-V109 VanDerWaalsContact O-N 3.14Å
110	D	89.7	Confident	92.6	Very high	50 Å²	50	47.5 Å²	47.5	27%	0.267	23%	0.231	S	C	.	.			trans	-145.7	82	-174.1	-173.4	-5.4	0	0	0	110.1	I80 A106 L107 R112 N113	I80-D110 HydrophobicContact CD1-CB 3.62Å; I80-D110 WeakPolarHBondContact CD1-OD2 3.34Å; A106-D110 PolarHBondContact O-N 3.24Å; L107-D110 CarbonylContact O-C 3.54Å; L107-D110 PolarHBondContact O-N 3.13Å; D110-R112 PolarHBondContact O-N 2.73Å; D110-R112 WeakPolarHBondContact OD1-CA 3.31Å; D110-R112 WeakPolarHBondContact OD1-CB 3.41Å; D110-R112 PolarHBondContact OD1-N 2.99Å; D110-N113 HydrophobicContact CB-CB 4.49Å; D110-N113 PolarHBondContact OD1-N 3.02Å; D110-N113 WeakPolarHBondContact OD2-CB 3.22Å
111	H	88.9	Confident	92.6	Very high	85 Å²	85	45.8 Å²	45.8	39%	0.394	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-3.2	169.9	68.1	92.2	0	0	0	113.1	L107 W117 L144	L107-H111 WeakPolarHBondContact O-CA 3.29Å; L107-H111 WeakPolarHBondContact O-CB 3.28Å; L107-H111 PolarHBondContact O-N 3.18Å; H111-W117 PolarHBondContact O-NE1 3.28Å; H111-L144 WeakPolarHBondContact O-CD1 3.46Å
112	R	90.7	Very high	92.4	Very high	181 Å²	181	44.5 Å²	44.5	68%	0.683	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-21.6	179	-58.2	-174.2	-179	-157.4	-1.9	112.5	D110 I114	D110-R112 PolarHBondContact O-N 2.73Å; D110-R112 WeakPolarHBondContact OD1-CA 3.31Å; D110-R112 WeakPolarHBondContact OD1-CB 3.41Å; D110-R112 PolarHBondContact OD1-N 2.99Å; R112-I114 PolarHBondContact O-N 3.25Å
113	N	91.3	Very high	92.4	Very high	40 Å²	40	44.4 Å²	44.4	21%	0.214	21%	0.211	C	C	.	.			trans	-68.6	106.6	-179.6	-170.5	-26.2	0	0	0	112.5	I80 D110 T115 L116	I80-N113 HydrophobicContact CD1-CB 3.9Å; I80-N113 WeakPolarHBondContact CD1-ND2 3.14Å; D110-N113 HydrophobicContact CB-CB 4.49Å; D110-N113 PolarHBondContact OD1-N 3.02Å; D110-N113 WeakPolarHBondContact OD2-CB 3.22Å; N113-T115 VanDerWaalsContact C-N 3.28Å; N113-T115 PolarHBondContact O-N 2.98Å; N113-T115 WeakPolarHBondContact OD1-CB 3.48Å; N113-T115 PolarHBondContact OD1-N 3.02Å; N113-T115 PolarHBondContact OD1-OG1 3.27Å; N113-L116 HydrophobicContact CB-CB 4.27Å; N113-L116 WeakPolarHBondContact O-CB 3.34Å; N113-L116 PolarHBondContact O-N 3.01Å; N113-L116 VanDerWaalsContact O-N 3.12Å
114	I	92.4	Very high	92.3	Very high	55 Å²	55	44.3 Å²	44.3	28%	0.282	21%	0.211	S	C	.	.	H	α-helix	trans	-49.6	-47.1	176.7	-56.4	173.2	0	0	0	111.7	R112 L116 W117 L118 V147 F150	R112-I114 PolarHBondContact O-N 3.25Å; I114-L116 PolarHBondContact O-N 2.92Å; I114-W117 PolarHBondContact O-N 2.84Å; I114-L118 HydrophobicContact CG2-CD1 4.16Å; I114-L118 HydrophobicContact CG2-CG 4.19Å; I114-L118 WeakPolarHBondContact O-CG 3.46Å; I114-L118 PolarHBondContact O-N 3.33Å; I114-V147 HydrophobicContact CD1-CG1 3.8Å; I114-V147 HydrophobicContact CD1-CG2 4.02Å; I114-V147 HydrophobicContact CG1-CG1 3.89Å; I114-V147 HydrophobicContact CG1-CG2 4.1Å; I114-V147 HydrophobicContact CG2-CG1 3.88Å; I114-F150 HydrophobicContact CB-CE1 4.47Å; I114-F150 HydrophobicContact CB-CZ 4.34Å; I114-F150 HydrophobicContact CG2-CE1 3.71Å; I114-F150 HydrophobicContact CG2-CZ 4.02Å
115	T	93.3	Very high	92	Very high	69 Å²	69	45 Å²	45	42%	0.423	22%	0.215	S	C	.	.	H	α-helix	trans	-64.1	-26.4	-174.9	69.1	0	0	0	0	113.4	N113 K119	N113-T115 VanDerWaalsContact C-N 3.28Å; N113-T115 PolarHBondContact O-N 2.98Å; N113-T115 WeakPolarHBondContact OD1-CB 3.48Å; N113-T115 PolarHBondContact OD1-N 3.02Å; N113-T115 PolarHBondContact OD1-OG1 3.27Å; T115-K119 WeakPolarHBondContact O-CG 3.33Å; T115-K119 PolarHBondContact O-N 3.5Å
116	L	93.1	Very high	91.7	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-73.9	-48.4	179.7	-174.4	60.3	0	0	0	110.9	I80 I84 Y103 A106 L107 N113 I114 L118 K119 Y120	I80-L116 HydrophobicContact CG2-CB 4.34Å; I80-L116 HydrophobicContact CG2-CD1 4.13Å; I80-L116 HydrophobicContact CG2-CD2 4.38Å; I84-L116 HydrophobicContact CG1-CD1 4.05Å; Y103-L116 HydrophobicContact CD1-CD1 3.69Å; Y103-L116 HydrophobicContact CE1-CD1 4.04Å; A106-L116 HydrophobicContact CB-CD1 3.95Å; A106-L116 HydrophobicContact CB-CD2 3.59Å; A106-L116 HydrophobicContact CB-CG 4.36Å; L107-L116 HydrophobicContact CD2-CD2 3.82Å; L107-L116 HydrophobicContact CD2-CG 4.05Å; L107-L116 HydrophobicContact CG-CD2 4.11Å; L107-L116 HydrophobicContact CG-CG 4.41Å; N113-L116 HydrophobicContact CB-CB 4.27Å; N113-L116 WeakPolarHBondContact O-CB 3.34Å; N113-L116 PolarHBondContact O-N 3.01Å; N113-L116 VanDerWaalsContact O-N 3.12Å; I114-L116 PolarHBondContact O-N 2.92Å; L116-L118 VanDerWaalsContact C-N 3.33Å; L116-L118 PolarHBondContact O-N 3.39Å; L116-K119 PolarHBondContact O-N 3.48Å; L116-Y120 WeakPolarHBondContact O-CB 3.39Å; L116-Y120 PolarHBondContact O-N 2.98Å
117	W	94.6	Very high	91.4	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-56.4	-46.1	170.6	-71.9	104.4	0	0	0	111.7	L107 H111 I114 K119 Y120 A121 I136 R139 A140 I143 F150	L107-W117 HydrophobicContact CD1-CD2 4.35Å; L107-W117 HydrophobicContact CD1-CE3 4.14Å; L107-W117 HydrophobicContact CD1-CH2 3.89Å; L107-W117 HydrophobicContact CD1-CZ2 4.12Å; L107-W117 HydrophobicContact CD1-CZ3 3.91Å; L107-W117 HydrophobicContact CD2-CD2 3.79Å; L107-W117 VanDerWaalsContact CD2-CE2 3.44Å; L107-W117 HydrophobicContact CD2-CE3 4.4Å; L107-W117 HydrophobicContact CD2-CG 4.11Å; L107-W117 HydrophobicContact CD2-CH2 4.4Å; L107-W117 HydrophobicContact CD2-CZ2 3.79Å; H111-W117 PolarHBondContact O-NE1 3.28Å; I114-W117 PolarHBondContact O-N 2.84Å; W117-K119 PolarHBondContact O-N 3.16Å; W117-Y120 PolarHBondContact O-N 3.19Å; W117-A121 WeakPolarHBondContact O-CB 3.47Å; W117-A121 PolarHBondContact O-N 3.18Å; W117-I136 HydrophobicContact CE3-CG2 3.93Å; W117-I136 HydrophobicContact CZ3-CG2 4.19Å; W117-R139 HydrophobicContact CH2-CB 4.07Å; W117-R139 HydrophobicContact CZ3-CB 4.01Å; W117-A140 HydrophobicContact CD2-CB 3.96Å; W117-A140 HydrophobicContact CE3-CB 3.74Å; W117-A140 HydrophobicContact CG-CB 4.34Å; W117-A140 HydrophobicContact CZ3-CB 4.26Å; W117-I143 HydrophobicContact CH2-CD1 3.76Å; W117-I143 HydrophobicContact CZ2-CD1 3.75Å; W117-F150 HydrophobicContact CB-CE1 3.67Å; W117-F150 HydrophobicContact CB-CE2 4.47Å; W117-F150 HydrophobicContact CB-CZ 3.52Å; W117-F150 AromaticContact CD1-CZ 3.78Å; W117-F150 HydrophobicContact CG-CE1 4.42Å; W117-F150 HydrophobicContact CG-CE2 4.42Å; W117-F150 AromaticContact CG-CZ 3.79Å; W117-F150 HydrophobicContact CG-CZ 3.79Å
118	L	93.8	Very high	91.2	Very high	18 Å²	18	59.1 Å²	59.1	9%	0.094	28%	0.276	C	S	.	.	H	α-helix	trans	-57.1	-47.9	177.3	-68.8	-172.6	0	0	0	112.1	I114 L116 E122 W137 F150 K153	I114-L118 HydrophobicContact CG2-CD1 4.16Å; I114-L118 HydrophobicContact CG2-CG 4.19Å; I114-L118 WeakPolarHBondContact O-CG 3.46Å; I114-L118 PolarHBondContact O-N 3.33Å; L116-L118 VanDerWaalsContact C-N 3.33Å; L116-L118 PolarHBondContact O-N 3.39Å; L118-E122 VanDerWaalsContact O-CB 3.22Å; L118-E122 WeakPolarHBondContact O-CB 3.26Å; L118-E122 WeakPolarHBondContact O-CG 3.36Å; L118-E122 PolarHBondContact O-N 2.95Å; L118-W137 HydrophobicContact CD2-CH2 3.75Å; L118-W137 HydrophobicContact CD2-CZ3 4.01Å; L118-F150 HydrophobicContact CD2-CD1 3.84Å; L118-F150 HydrophobicContact CD2-CE1 3.88Å; L118-F150 HydrophobicContact CG-CE1 4.17Å; L118-K153 HydrophobicContact CD2-CD 3.41Å; L118-K153 VanDerWaalsContact CD2-CD 3.41Å
119	K	92.5	Very high	91.1	Very high	76 Å²	76	57 Å²	57	33%	0.33	26%	0.262	S	S	.	.	H	α-helix	trans	-73.7	-29.4	-178	-64.9	-64.2	158.8	-154.8	0	113.3	I84 Y103 T115 L116 W117 E122 M123	I84-K119 HydrophobicContact CG2-CG 4.49Å; Y103-K119 HydrophobicContact CE1-CB 4.14Å; Y103-K119 PolarHBondContact OH-O 3.42Å; T115-K119 WeakPolarHBondContact O-CG 3.33Å; T115-K119 PolarHBondContact O-N 3.5Å; L116-K119 PolarHBondContact O-N 3.48Å; W117-K119 PolarHBondContact O-N 3.16Å; K119-E122 IonicContact NZ-OE2 3.29Å; K119-E122 PolarHBondContact NZ-OE2 3.22Å; K119-M123 WeakPolarHBondContact O-CB 3.33Å; K119-M123 PolarHBondContact O-N 3.04Å; K119-M123 VanDerWaalsContact O-N 3.12Å
120	Y	94.2	Very high	91.1	Very high	13 Å²	13	56.8 Å²	56.8	5%	0.051	26%	0.261	C	S	.	.	H	α-helix	trans	-67	-51.3	172.4	-174.6	-161.6	0	0	0	111.6	R100 Y103 E104 L107 L116 W117 E122 M123 E124 I136	R100-Y120 HydrophobicContact CB-CE2 4.4Å; R100-Y120 HydrophobicContact CG-CE2 4.02Å; Y103-Y120 HydrophobicContact CD1-CG 4.31Å; Y103-Y120 AromaticContact CD2-CD2 3.49Å; Y103-Y120 HydrophobicContact CD2-CD2 3.49Å; Y103-Y120 VanDerWaalsContact CD2-CD2 3.49Å; Y103-Y120 HydrophobicContact CD2-CE2 4.23Å; Y103-Y120 AromaticContact CD2-CG 3.97Å; Y103-Y120 HydrophobicContact CD2-CG 3.97Å; Y103-Y120 HydrophobicContact CE2-CD2 4.3Å; Y103-Y120 HydrophobicContact CG-CD1 4.49Å; Y103-Y120 AromaticContact CG-CD2 3.71Å; Y103-Y120 HydrophobicContact CG-CD2 3.71Å; Y103-Y120 HydrophobicContact CG-CE2 4.47Å; Y103-Y120 AromaticContact CG-CG 3.72Å; Y103-Y120 HydrophobicContact CG-CG 3.72Å; E104-Y120 HydrophobicContact CG-CE1 4.36Å; E104-Y120 WeakPolarHBondContact OE1-CE1 3.44Å; E104-Y120 PolarHBondContact OE1-OH 2.87Å; L107-Y120 HydrophobicContact CD1-CD1 3.99Å; L107-Y120 HydrophobicContact CD1-CE1 4.22Å; L116-Y120 WeakPolarHBondContact O-CB 3.39Å; L116-Y120 PolarHBondContact O-N 2.98Å; W117-Y120 PolarHBondContact O-N 3.19Å; Y120-E122 PolarHBondContact O-N 3.04Å; Y120-M123 HydrophobicContact CD2-CE 4Å; Y120-M123 HydrophobicContact CE2-CE 4.15Å; Y120-M123 WeakPolarHBondContact O-CB 3.43Å; Y120-M123 PolarHBondContact O-N 3Å; Y120-M123 VanDerWaalsContact O-N 3.15Å; Y120-E124 HydrophobicContact CD2-CG 4.47Å; Y120-E124 HydrophobicContact CE2-CG 4.27Å; Y120-E124 PolarHBondContact O-N 3.45Å; Y120-I136 HydrophobicContact CD1-CD1 3.87Å; Y120-I136 HydrophobicContact CD1-CG1 4.11Å; Y120-I136 HydrophobicContact CD1-CG2 3.96Å; Y120-I136 HydrophobicContact CD2-CD1 3.79Å; Y120-I136 HydrophobicContact CE1-CD1 3.65Å; Y120-I136 HydrophobicContact CE1-CG1 3.76Å; Y120-I136 HydrophobicContact CE1-CG2 4.41Å; Y120-I136 HydrophobicContact CE2-CD1 3.54Å; Y120-I136 HydrophobicContact CG-CD1 3.96Å; Y120-I136 HydrophobicContact CG-CG2 4.42Å; Y120-I136 VanDerWaalsContact CZ-CD1 3.48Å
121	A	92.5	Very high	91.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-40.2	177.9	0	0	0	0	0	112.3	W117 M123 E124 M125 I136 W137	W117-A121 WeakPolarHBondContact O-CB 3.47Å; W117-A121 PolarHBondContact O-N 3.18Å; A121-M123 PolarHBondContact O-N 2.91Å; A121-E124 PolarHBondContact O-N 3.43Å; A121-M125 WeakPolarHBondContact O-CG 3.16Å; A121-M125 PolarHBondContact O-N 3.02Å; A121-I136 HydrophobicContact CB-CG2 3.95Å; A121-W137 HydrophobicContact CB-CD2 4Å; A121-W137 HydrophobicContact CB-CE3 4.27Å; A121-W137 HydrophobicContact CB-CH2 3.68Å; A121-W137 HydrophobicContact CB-CZ2 3.39Å; A121-W137 HydrophobicContact CB-CZ3 4.11Å
122	E	91.9	Very high	91.3	Very high	36 Å²	36	59 Å²	59	17%	0.168	27%	0.273	C	S	.	.	H	α-helix	trans	-61.8	-30.9	174.1	-75.8	169.7	-170.7	0	0	112.8	L118 K119 Y120 M125 K126 K153	L118-E122 VanDerWaalsContact O-CB 3.22Å; L118-E122 WeakPolarHBondContact O-CB 3.26Å; L118-E122 WeakPolarHBondContact O-CG 3.36Å; L118-E122 PolarHBondContact O-N 2.95Å; K119-E122 IonicContact NZ-OE2 3.29Å; K119-E122 PolarHBondContact NZ-OE2 3.22Å; Y120-E122 PolarHBondContact O-N 3.04Å; E122-M125 HydrophobicContact CB-CE 4.35Å; E122-M125 HydrophobicContact CG-CE 3.82Å; E122-K126 WeakPolarHBondContact O-CB 3.22Å; E122-K126 WeakPolarHBondContact O-CD 3.47Å; E122-K126 WeakPolarHBondContact O-CG 3.4Å; E122-K126 PolarHBondContact O-N 2.87Å; E122-K153 IonicContact OE1-NZ 3.33Å; E122-K153 PolarHBondContact OE1-NZ 2.94Å
123	M	92.1	Very high	91.4	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-72.3	-42.3	176.1	-173.7	-80	-59.4	0	0	112.3	E91 I96 A99 R100 Y103 K119 Y120 A121 S127	E91-M123 HydrophobicContact CB-CG 4.18Å; E91-M123 HydrophobicContact CG-CG 3.79Å; I96-M123 HydrophobicContact CG1-SD 4.32Å; I96-M123 HydrophobicContact CG2-CE 4.29Å; I96-M123 HydrophobicContact CG2-SD 3.86Å; A99-M123 HydrophobicContact CB-CE 4.05Å; A99-M123 HydrophobicContact CB-SD 4.35Å; R100-M123 HydrophobicContact CG-CE 4.25Å; Y103-M123 HydrophobicContact CD2-CE 4.02Å; Y103-M123 HydrophobicContact CE2-CB 4.14Å; Y103-M123 HydrophobicContact CE2-CE 4.04Å; Y103-M123 HydrophobicContact CE2-CG 4.26Å; K119-M123 WeakPolarHBondContact O-CB 3.33Å; K119-M123 PolarHBondContact O-N 3.04Å; K119-M123 VanDerWaalsContact O-N 3.12Å; Y120-M123 HydrophobicContact CD2-CE 4Å; Y120-M123 HydrophobicContact CE2-CE 4.15Å; Y120-M123 WeakPolarHBondContact O-CB 3.43Å; Y120-M123 PolarHBondContact O-N 3Å; Y120-M123 VanDerWaalsContact O-N 3.15Å; A121-M123 PolarHBondContact O-N 2.91Å; M123-S127 WeakPolarHBondContact O-CB 3.48Å; M123-S127 PolarHBondContact O-N 2.69Å; M123-S127 PolarHBondContact O-OG 2.93Å
124	E	91.2	Very high	91.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-37.7	172.7	-65.1	-60.1	144.1	0	0	112.1	R100 Y120 A121 S127 R128 Q129 H132 A133 I136	R100-E124 WeakPolarHBondContact CG-OE1 3.44Å; R100-E124 IonicContact CZ-OE1 2.77Å; R100-E124 IonicContact CZ-OE2 3.46Å; R100-E124 IonicContact NE-OE1 3.97Å; R100-E124 PolarHBondContact NE-OE1 3Å; R100-E124 IonicContact NE-OE2 2.82Å; R100-E124 PolarHBondContact NE-OE2 3.03Å; R100-E124 IonicContact NH2-OE1 2.88Å; R100-E124 IonicContact NH2-OE2 3.57Å; R100-E124 PolarHBondContact NH2-OE2 3Å; Y120-E124 HydrophobicContact CD2-CG 4.47Å; Y120-E124 HydrophobicContact CE2-CG 4.27Å; Y120-E124 PolarHBondContact O-N 3.45Å; A121-E124 PolarHBondContact O-N 3.43Å; E124-S127 WeakPolarHBondContact CA-OG 3.37Å; E124-S127 PolarHBondContact O-N 3.29Å; E124-S127 PolarHBondContact O-OG 3.5Å; E124-R128 PolarHBondContact O-N 3.27Å; E124-Q129 HydrophobicContact CB-CB 4.32Å; E124-Q129 PolarHBondContact O-N 3.13Å; E124-Q129 WeakPolarHBondContact OE2-CB 3.41Å; E124-H132 HydrophobicContact CB-CB 4.45Å; E124-H132 HydrophobicContact CG-CB 4.09Å; E124-H132 WeakPolarHBondContact OE2-CB 3.31Å; E124-H132 IonicContact OE2-CG 3.61Å; E124-A133 HydrophobicContact CB-CB 3.98Å; E124-I136 HydrophobicContact CB-CD1 4.34Å; E124-I136 HydrophobicContact CG-CD1 3.51Å
125	M	88.3	Confident	91.5	Very high	65 Å²	65	54 Å²	54	32%	0.32	26%	0.256	S	S	.	.	H	α-helix	trans	-63.4	-48.3	174.4	-72.3	-171.4	-64	0	0	111.9	A121 E122 S127 R128 A133 W137 M157	A121-M125 WeakPolarHBondContact O-CG 3.16Å; A121-M125 PolarHBondContact O-N 3.02Å; E122-M125 HydrophobicContact CB-CE 4.35Å; E122-M125 HydrophobicContact CG-CE 3.82Å; M125-S127 VanDerWaalsContact C-N 3.3Å; M125-S127 PolarHBondContact O-N 3.35Å; M125-R128 PolarHBondContact O-N 3.29Å; M125-A133 HydrophobicContact CG-CB 3.85Å; M125-W137 HydrophobicContact CE-CZ2 3.85Å; M125-M157 HydrophobicContact CG-SD 4.08Å; M125-M157 HydrophobicContact SD-CB 4.37Å; M125-M157 HydrophobicContact SD-CG 3.91Å; M125-M157 HydrophobicContact SD-SD 3.84Å
126	K	88.8	Confident	91.5	Very high	130 Å²	130	51 Å²	51	57%	0.565	24%	0.237	S	C	*	.	H	α-helix	trans	-57.4	-40.9	175.1	-76	165.8	177	175.6	0	112.8	E91 E122 R128	E91-K126 WeakPolarHBondContact OE1-CD 3.22Å; E91-K126 WeakPolarHBondContact OE1-CE 3.21Å; E91-K126 IonicContact OE1-NZ 3.86Å; E91-K126 PolarHBondContact OE1-NZ 2.94Å; E91-K126 IonicContact OE2-NZ 3.47Å; E122-K126 WeakPolarHBondContact O-CB 3.22Å; E122-K126 WeakPolarHBondContact O-CD 3.47Å; E122-K126 WeakPolarHBondContact O-CG 3.4Å; E122-K126 PolarHBondContact O-N 2.87Å; K126-R128 PolarHBondContact O-N 3.37Å
127	S	86.7	Confident	91.6	Very high	32 Å²	32	50.9 Å²	50.9	22%	0.224	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	7.1	179.3	57.3	0	0	0	0	113.9	M123 E124 M125 Q129	M123-S127 WeakPolarHBondContact O-CB 3.48Å; M123-S127 PolarHBondContact O-N 2.69Å; M123-S127 PolarHBondContact O-OG 2.93Å; E124-S127 WeakPolarHBondContact CA-OG 3.37Å; E124-S127 PolarHBondContact O-N 3.29Å; E124-S127 PolarHBondContact O-OG 3.5Å; M125-S127 VanDerWaalsContact C-N 3.3Å; M125-S127 PolarHBondContact O-N 3.35Å; S127-Q129 PolarHBondContact O-N 2.92Å
128	R	87.2	Confident	91.5	Very high	219 Å²	219	53.5 Å²	53.5	83%	0.826	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	20.4	179	-53.5	-178.8	176.3	-172	-3.6	114.1	E124 M125 K126 V130	E124-R128 PolarHBondContact O-N 3.27Å; M125-R128 PolarHBondContact O-N 3.29Å; K126-R128 PolarHBondContact O-N 3.37Å; R128-V130 PolarHBondContact O-N 2.93Å
129	Q	90.5	Very high	91.5	Very high	76 Å²	76	57.2 Å²	57.2	36%	0.355	26%	0.263	S	S	.	.			trans	-86.4	58.9	-178.3	-67.4	-61.4	-40.8	0	0	111.4	E124 S127 N131 H132 A133	E124-Q129 HydrophobicContact CB-CB 4.32Å; E124-Q129 PolarHBondContact O-N 3.13Å; E124-Q129 WeakPolarHBondContact OE2-CB 3.41Å; S127-Q129 PolarHBondContact O-N 2.92Å; Q129-N131 VanDerWaalsContact C-N 3.31Å; Q129-N131 PolarHBondContact O-N 2.81Å; Q129-N131 VanDerWaalsContact O-N 3.15Å; Q129-H132 HydrophobicContact CB-CB 4.17Å; Q129-H132 WeakPolarHBondContact O-CA 3.45Å; Q129-H132 WeakPolarHBondContact O-CB 3.23Å; Q129-H132 PolarHBondContact O-N 2.98Å; Q129-H132 PolarHBondContact OE1-ND1 3.33Å; Q129-A133 PolarHBondContact O-N 3.48Å
130	V	90.4	Very high	91.6	Very high	43 Å²	43	53.6 Å²	53.6	26%	0.261	25%	0.247	S	C	.	.	H	α-helix	trans	-50.5	-44.5	-170	177.2	0	0	0	0	113.4	R128 H132 A133 R134 L161	R128-V130 PolarHBondContact O-N 2.93Å; V130-H132 VanDerWaalsContact C-N 3.33Å; V130-H132 PolarHBondContact O-N 2.84Å; V130-A133 PolarHBondContact O-N 2.86Å; V130-R134 WeakPolarHBondContact O-CG 3.35Å; V130-R134 PolarHBondContact O-N 3.45Å; V130-L161 HydrophobicContact CG1-CD1 3.52Å; V130-L161 HydrophobicContact CG1-CD2 4.14Å; V130-L161 HydrophobicContact CG2-CD2 4.06Å
131	N	91.2	Very high	91.5	Very high	103 Å²	103	53 Å²	53	55%	0.551	25%	0.245	S	C	*	.	H	α-helix	trans	-70.5	-28.2	-179.1	-66.5	-9.9	0	0	0	113	Q129 R134 N135	Q129-N131 VanDerWaalsContact C-N 3.31Å; Q129-N131 PolarHBondContact O-N 2.81Å; Q129-N131 VanDerWaalsContact O-N 3.15Å; N131-R134 PolarHBondContact OD1-NH1 2.98Å; N131-N135 PolarHBondContact O-N 3.11Å; N131-N135 PolarHBondContact O-OD1 3.41Å
132	H	90.8	Very high	91.5	Very high	79 Å²	79	57.2 Å²	57.2	37%	0.366	27%	0.271	S	S	.	.	H	α-helix	trans	-72.5	-42.4	171.1	-64.9	87.2	0	0	0	110.4	R100 E124 Q129 V130 R134 N135 I136	R100-H132 PolarHBondContact NH1-NE2 3.03Å; R100-H132 PolarHBondContact NH2-CD2 2.81Å; R100-H132 PolarHBondContact NH2-CE1 3.38Å; R100-H132 VanDerWaalsContact NH2-CG 3.27Å; R100-H132 PolarHBondContact NH2-ND1 3.11Å; R100-H132 PolarHBondContact NH2-NE2 3.37Å; E124-H132 HydrophobicContact CB-CB 4.45Å; E124-H132 HydrophobicContact CG-CB 4.09Å; E124-H132 WeakPolarHBondContact OE2-CB 3.31Å; E124-H132 IonicContact OE2-CG 3.61Å; Q129-H132 HydrophobicContact CB-CB 4.17Å; Q129-H132 WeakPolarHBondContact O-CA 3.45Å; Q129-H132 WeakPolarHBondContact O-CB 3.23Å; Q129-H132 PolarHBondContact O-N 2.98Å; Q129-H132 PolarHBondContact OE1-ND1 3.33Å; V130-H132 VanDerWaalsContact C-N 3.33Å; V130-H132 PolarHBondContact O-N 2.84Å; H132-R134 VanDerWaalsContact C-N 3.35Å; H132-R134 PolarHBondContact O-N 3.08Å; H132-N135 PolarHBondContact O-N 3.49Å; H132-I136 WeakPolarHBondContact O-CD1 3.42Å; H132-I136 VanDerWaalsContact O-CG1 3.27Å; H132-I136 WeakPolarHBondContact O-CG1 3.47Å; H132-I136 PolarHBondContact O-N 3.22Å
133	A	92	Very high	91.5	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.2	-42.5	174.2	0	0	0	0	0	112.4	E124 M125 Q129 V130 I136 W137 M157	E124-A133 HydrophobicContact CB-CB 3.98Å; M125-A133 HydrophobicContact CG-CB 3.85Å; Q129-A133 PolarHBondContact O-N 3.48Å; V130-A133 PolarHBondContact O-N 2.86Å; A133-I136 PolarHBondContact O-N 3.27Å; A133-W137 PolarHBondContact O-N 3.01Å; A133-M157 HydrophobicContact CB-SD 3.96Å
134	R	92.9	Very high	91.4	Very high	64 Å²	64	60.4 Å²	60.4	24%	0.242	29%	0.288	C	S	.	.	H	α-helix	trans	-55.6	-52.6	171.7	-77.3	174.4	169.7	148	-4	112.3	V130 N131 H132 I136 W137 D138 M157 E158	V130-R134 WeakPolarHBondContact O-CG 3.35Å; V130-R134 PolarHBondContact O-N 3.45Å; N131-R134 PolarHBondContact OD1-NH1 2.98Å; H132-R134 VanDerWaalsContact C-N 3.35Å; H132-R134 PolarHBondContact O-N 3.08Å; R134-I136 PolarHBondContact O-N 3.47Å; R134-W137 PolarHBondContact O-N 3.06Å; R134-D138 WeakPolarHBondContact O-CB 3.24Å; R134-D138 PolarHBondContact O-N 3.02Å; R134-M157 HydrophobicContact CG-CE 3.57Å; R134-E158 WeakPolarHBondContact CG-OE1 3.46Å; R134-E158 IonicContact CZ-OE1 3.04Å; R134-E158 IonicContact CZ-OE2 2.76Å; R134-E158 IonicContact NE-OE1 2.77Å; R134-E158 PolarHBondContact NE-OE1 3.25Å; R134-E158 IonicContact NE-OE2 3.17Å; R134-E158 PolarHBondContact NE-OE2 3.24Å; R134-E158 IonicContact NH2-OE1 2.99Å; R134-E158 PolarHBondContact NH2-OE1 3.39Å; R134-E158 IonicContact NH2-OE2 2.67Å; R134-E158 PolarHBondContact NH2-OE2 3.05Å
135	N	93.6	Very high	91.4	Very high	107 Å²	107	61.4 Å²	61.4	57%	0.572	30%	0.295	S	S	*	.	H	α-helix	trans	-63.6	-30.8	-179.5	-65.4	1.4	0	0	0	112.4	N131 H132 R139	N131-N135 PolarHBondContact O-N 3.11Å; N131-N135 PolarHBondContact O-OD1 3.41Å; H132-N135 PolarHBondContact O-N 3.49Å; N135-R139 WeakPolarHBondContact O-CB 3.44Å; N135-R139 WeakPolarHBondContact O-CD 3.4Å; N135-R139 WeakPolarHBondContact O-CG 3.37Å; N135-R139 PolarHBondContact O-N 3.21Å; N135-R139 VanDerWaalsContact O-N 3.16Å
136	I	93.5	Very high	91.5	Very high	5 Å²	5	66 Å²	66	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-73.3	-43.9	174.2	-66.3	161.6	0	0	0	110.9	W117 Y120 A121 E124 H132 A133 R134 R139 A140	W117-I136 HydrophobicContact CE3-CG2 3.93Å; W117-I136 HydrophobicContact CZ3-CG2 4.19Å; Y120-I136 HydrophobicContact CD1-CD1 3.87Å; Y120-I136 HydrophobicContact CD1-CG1 4.11Å; Y120-I136 HydrophobicContact CD1-CG2 3.96Å; Y120-I136 HydrophobicContact CD2-CD1 3.79Å; Y120-I136 HydrophobicContact CE1-CD1 3.65Å; Y120-I136 HydrophobicContact CE1-CG1 3.76Å; Y120-I136 HydrophobicContact CE1-CG2 4.41Å; Y120-I136 HydrophobicContact CE2-CD1 3.54Å; Y120-I136 HydrophobicContact CG-CD1 3.96Å; Y120-I136 HydrophobicContact CG-CG2 4.42Å; Y120-I136 VanDerWaalsContact CZ-CD1 3.48Å; A121-I136 HydrophobicContact CB-CG2 3.95Å; E124-I136 HydrophobicContact CB-CD1 4.34Å; E124-I136 HydrophobicContact CG-CD1 3.51Å; H132-I136 WeakPolarHBondContact O-CD1 3.42Å; H132-I136 VanDerWaalsContact O-CG1 3.27Å; H132-I136 WeakPolarHBondContact O-CG1 3.47Å; H132-I136 PolarHBondContact O-N 3.22Å; A133-I136 PolarHBondContact O-N 3.27Å; R134-I136 PolarHBondContact O-N 3.47Å; I136-R139 PolarHBondContact O-N 3.12Å; I136-A140 VanDerWaalsContact O-CB 3.3Å; I136-A140 WeakPolarHBondContact O-CB 3.26Å; I136-A140 PolarHBondContact O-N 2.73Å
137	W	94.1	Very high	91.7	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.9	-44	176.8	-74.1	131.4	0	0	0	112.2	L118 A121 M125 A133 R134 R139 A140 I141 F150 K153 Y154 M157	L118-W137 HydrophobicContact CD2-CH2 3.75Å; L118-W137 HydrophobicContact CD2-CZ3 4.01Å; A121-W137 HydrophobicContact CB-CD2 4Å; A121-W137 HydrophobicContact CB-CE3 4.27Å; A121-W137 HydrophobicContact CB-CH2 3.68Å; A121-W137 HydrophobicContact CB-CZ2 3.39Å; A121-W137 HydrophobicContact CB-CZ3 4.11Å; M125-W137 HydrophobicContact CE-CZ2 3.85Å; A133-W137 PolarHBondContact O-N 3.01Å; R134-W137 PolarHBondContact O-N 3.06Å; W137-R139 PolarHBondContact O-N 3.26Å; W137-A140 HydrophobicContact CE3-CB 4.48Å; W137-A140 WeakPolarHBondContact O-CB 3.41Å; W137-A140 PolarHBondContact O-N 3.01Å; W137-A140 VanDerWaalsContact O-N 3.1Å; W137-I141 WeakPolarHBondContact O-CG1 3.43Å; W137-I141 PolarHBondContact O-N 3.01Å; W137-F150 HydrophobicContact CE3-CB 4.34Å; W137-F150 HydrophobicContact CE3-CD1 4.49Å; W137-F150 HydrophobicContact CZ3-CB 4.31Å; W137-F150 AromaticContact CZ3-CD1 3.79Å; W137-F150 HydrophobicContact CZ3-CD1 3.79Å; W137-F150 HydrophobicContact CZ3-CG 4.34Å; W137-K153 HydrophobicContact CH2-CB 3.72Å; W137-K153 HydrophobicContact CH2-CD 3.77Å; W137-K153 HydrophobicContact CH2-CG 4.39Å; W137-K153 HydrophobicContact CZ2-CB 3.74Å; W137-K153 HydrophobicContact CZ2-CD 4.3Å; W137-K153 HydrophobicContact CZ3-CB 4.32Å; W137-Y154 HydrophobicContact CB-CD1 3.88Å; W137-Y154 HydrophobicContact CB-CD2 3.7Å; W137-Y154 HydrophobicContact CB-CE1 4.29Å; W137-Y154 HydrophobicContact CB-CE2 4.16Å; W137-Y154 HydrophobicContact CB-CG 3.58Å; W137-Y154 AromaticContact CD1-CD2 3.86Å; W137-Y154 AromaticContact CG-CD2 3.95Å; W137-Y154 HydrophobicContact CG-CD2 3.95Å; W137-Y154 AromaticContact CG-CG 3.97Å; W137-Y154 HydrophobicContact CG-CG 3.97Å; W137-M157 VanDerWaalsContact CD1-SD 3.57Å
138	D	93.9	Very high	92	Very high	57 Å²	57	61 Å²	61	31%	0.305	29%	0.287	S	S	.	.	H	α-helix	trans	-63.1	-41.3	177.4	-171.9	63.7	0	0	0	112	R134 I141 T142 R173	R134-D138 WeakPolarHBondContact O-CB 3.24Å; R134-D138 PolarHBondContact O-N 3.02Å; D138-I141 VanDerWaalsContact O-CG1 3.3Å; D138-I141 WeakPolarHBondContact O-CG1 3.34Å; D138-T142 VanDerWaalsContact O-CB 3.24Å; D138-T142 WeakPolarHBondContact O-CB 3.31Å; D138-T142 PolarHBondContact O-N 3.18Å; D138-T142 PolarHBondContact O-OG1 3.37Å; D138-R173 IonicContact OD1-CZ 3.5Å; D138-R173 VanDerWaalsContact OD1-CZ 3.24Å; D138-R173 IonicContact OD1-NH1 2.83Å; D138-R173 PolarHBondContact OD1-NH1 3.15Å; D138-R173 IonicContact OD1-NH2 2.77Å; D138-R173 PolarHBondContact OD1-NH2 2.94Å
139	R	93.8	Very high	92.2	Very high	95 Å²	95	55.6 Å²	55.6	36%	0.358	27%	0.271	S	S	.	.	H	α-helix	trans	-60.4	-43.8	168.8	-76.9	169	66.2	-157.3	1.2	112.1	E104 W117 N135 I136 W137 T142 I143	E104-R139 IonicContact OE1-CZ 3.48Å; E104-R139 IonicContact OE1-NH1 2.71Å; E104-R139 PolarHBondContact OE1-NH1 3.44Å; E104-R139 IonicContact OE1-NH2 2.9Å; E104-R139 IonicContact OE2-CZ 2.84Å; E104-R139 IonicContact OE2-NH1 3.87Å; E104-R139 PolarHBondContact OE2-NH1 3.46Å; E104-R139 IonicContact OE2-NH2 3.47Å; E104-R139 PolarHBondContact OE2-NH2 3.4Å; W117-R139 HydrophobicContact CH2-CB 4.07Å; W117-R139 HydrophobicContact CZ3-CB 4.01Å; N135-R139 WeakPolarHBondContact O-CB 3.44Å; N135-R139 WeakPolarHBondContact O-CD 3.4Å; N135-R139 WeakPolarHBondContact O-CG 3.37Å; N135-R139 PolarHBondContact O-N 3.21Å; N135-R139 VanDerWaalsContact O-N 3.16Å; I136-R139 PolarHBondContact O-N 3.12Å; W137-R139 PolarHBondContact O-N 3.26Å; R139-T142 PolarHBondContact O-N 2.78Å; R139-I143 HydrophobicContact CB-CD1 4.49Å; R139-I143 WeakPolarHBondContact O-CB 3.45Å; R139-I143 WeakPolarHBondContact O-CD1 3.31Å; R139-I143 VanDerWaalsContact O-CG1 3.26Å; R139-I143 WeakPolarHBondContact O-CG1 3.38Å; R139-I143 PolarHBondContact O-N 2.98Å
140	A	93.3	Very high	92.4	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.1	-45.9	-177.4	0	0	0	0	0	112.3	W117 I136 W137 T142 L144 F150	W117-A140 HydrophobicContact CD2-CB 3.96Å; W117-A140 HydrophobicContact CE3-CB 3.74Å; W117-A140 HydrophobicContact CG-CB 4.34Å; W117-A140 HydrophobicContact CZ3-CB 4.26Å; I136-A140 VanDerWaalsContact O-CB 3.3Å; I136-A140 WeakPolarHBondContact O-CB 3.26Å; I136-A140 PolarHBondContact O-N 2.73Å; W137-A140 HydrophobicContact CE3-CB 4.48Å; W137-A140 WeakPolarHBondContact O-CB 3.41Å; W137-A140 PolarHBondContact O-N 3.01Å; W137-A140 VanDerWaalsContact O-N 3.1Å; A140-T142 VanDerWaalsContact C-N 3.32Å; A140-T142 PolarHBondContact O-N 3.22Å; A140-L144 PolarHBondContact O-N 2.83Å; A140-F150 HydrophobicContact CB-CD2 3.8Å; A140-F150 HydrophobicContact CB-CE2 3.95Å; A140-F150 HydrophobicContact CB-CG 4.15Å; A140-F150 HydrophobicContact CB-CZ 4.42Å
141	I	92.5	Very high	92.5	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-67.9	-31.8	175.3	64	174.5	0	0	0	112	W137 D138 P145 F150 W151 Y154	W137-I141 WeakPolarHBondContact O-CG1 3.43Å; W137-I141 PolarHBondContact O-N 3.01Å; D138-I141 VanDerWaalsContact O-CG1 3.3Å; D138-I141 WeakPolarHBondContact O-CG1 3.34Å; I141-P145 WeakPolarHBondContact O-CA 3.35Å; I141-P145 WeakPolarHBondContact O-CB 3.3Å; I141-P145 WeakPolarHBondContact O-CD 3.49Å; I141-P145 VanDerWaalsContact O-N 3.12Å; I141-F150 HydrophobicContact CG2-CB 3.97Å; I141-W151 HydrophobicContact CB-CD2 4.19Å; I141-W151 HydrophobicContact CB-CE3 4.35Å; I141-W151 HydrophobicContact CB-CH2 4.02Å; I141-W151 HydrophobicContact CB-CZ2 3.8Å; I141-W151 HydrophobicContact CB-CZ3 4.28Å; I141-W151 HydrophobicContact CD1-CE3 4.1Å; I141-W151 HydrophobicContact CD1-CH2 3.76Å; I141-W151 HydrophobicContact CD1-CZ2 4.43Å; I141-W151 HydrophobicContact CD1-CZ3 3.56Å; I141-W151 HydrophobicContact CG1-CH2 4.3Å; I141-W151 HydrophobicContact CG1-CZ3 4.45Å; I141-W151 HydrophobicContact CG2-CD2 3.69Å; I141-W151 HydrophobicContact CG2-CE3 3.95Å; I141-W151 HydrophobicContact CG2-CG 4.12Å; I141-W151 HydrophobicContact CG2-CZ2 4.25Å; I141-W151 HydrophobicContact CG2-CZ3 4.35Å; I141-Y154 HydrophobicContact CD1-CD1 4.01Å; I141-Y154 HydrophobicContact CD1-CE1 3.94Å
142	T	92.9	Very high	92.7	Very high	87 Å²	87	48.5 Å²	48.5	53%	0.534	23%	0.228	S	C	.	.	H	α-helix	trans	-73.1	-36.8	178.8	-58.8	0	0	0	0	112.3	D138 R139 A140	D138-T142 VanDerWaalsContact O-CB 3.24Å; D138-T142 WeakPolarHBondContact O-CB 3.31Å; D138-T142 PolarHBondContact O-N 3.18Å; D138-T142 PolarHBondContact O-OG1 3.37Å; R139-T142 PolarHBondContact O-N 2.78Å; A140-T142 VanDerWaalsContact C-N 3.32Å; A140-T142 PolarHBondContact O-N 3.22Å
143	I	91.1	Very high	92.8	Very high	74 Å²	74	48.2 Å²	48.2	38%	0.379	23%	0.226	S	C	.	.	H	α-helix	trans	-84.4	-29.8	179.9	-61.9	164.4	0	0	0	111.5	W117 R139	W117-I143 HydrophobicContact CH2-CD1 3.76Å; W117-I143 HydrophobicContact CZ2-CD1 3.75Å; R139-I143 HydrophobicContact CB-CD1 4.49Å; R139-I143 WeakPolarHBondContact O-CB 3.45Å; R139-I143 WeakPolarHBondContact O-CD1 3.31Å; R139-I143 VanDerWaalsContact O-CG1 3.26Å; R139-I143 WeakPolarHBondContact O-CG1 3.38Å; R139-I143 PolarHBondContact O-N 2.98Å
144	L	91.1	Very high	92.8	Very high	30 Å²	30	49.3 Å²	49.3	16%	0.157	23%	0.23	C	C	.	.			trans	-136.2	60.5	-174.9	-64.9	172	0	0	0	112.3	H111 A140 R146 V147 F150	H111-L144 WeakPolarHBondContact O-CD1 3.46Å; A140-L144 PolarHBondContact O-N 2.83Å; L144-R146 PolarHBondContact O-N 2.82Å; L144-R146 VanDerWaalsContact O-N 3.1Å; L144-V147 HydrophobicContact CB-CB 4.39Å; L144-V147 HydrophobicContact CB-CG2 3.93Å; L144-V147 PolarHBondContact O-N 3.29Å; L144-F150 HydrophobicContact CB-CD2 4.31Å; L144-F150 HydrophobicContact CB-CE2 3.84Å; L144-F150 HydrophobicContact CD1-CE2 3.7Å; L144-F150 HydrophobicContact CD1-CZ 4.17Å; L144-F150 HydrophobicContact CG-CE2 4.4Å
145	P	91.6	Very high	92.8	Very high	22 Å²	22	46.6 Å²	46.6	14%	0.143	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.5	-173.3	23.3	-33.9	0	0	0	114.3	I141 V147 W151 W177	I141-P145 WeakPolarHBondContact O-CA 3.35Å; I141-P145 WeakPolarHBondContact O-CB 3.3Å; I141-P145 WeakPolarHBondContact O-CD 3.49Å; I141-P145 VanDerWaalsContact O-N 3.12Å; P145-V147 VanDerWaalsContact C-N 3.26Å; P145-V147 PolarHBondContact O-N 3.08Å; P145-W151 HydrophobicContact CB-CZ2 4.44Å; P145-W151 PolarHBondContact O-NE1 2.96Å; P145-W177 HydrophobicContact CB-CD2 3.67Å; P145-W177 HydrophobicContact CB-CE3 4.07Å; P145-W177 HydrophobicContact CB-CG 4.14Å; P145-W177 HydrophobicContact CB-CH2 4.24Å; P145-W177 HydrophobicContact CB-CZ2 3.86Å; P145-W177 HydrophobicContact CB-CZ3 4.33Å; P145-W177 HydrophobicContact CG-CD2 4.16Å; P145-W177 HydrophobicContact CG-CE3 4.09Å; P145-W177 HydrophobicContact CG-CH2 3.73Å; P145-W177 HydrophobicContact CG-CZ2 3.79Å; P145-W177 HydrophobicContact CG-CZ3 3.89Å
146	R	89.3	Confident	92.8	Very high	162 Å²	162	48.1 Å²	48.1	61%	0.611	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	0.4	176.3	-63.3	-66.5	-179.7	-166.3	-6.7	114.2	L144 N148 W177	L144-R146 PolarHBondContact O-N 2.82Å; L144-R146 VanDerWaalsContact O-N 3.1Å; R146-N148 PolarHBondContact O-N 2.82Å; R146-W177 PolarHBondContact NH1-O 2.89Å; R146-W177 PolarHBondContact NH2-O 2.98Å
147	V	92.9	Very high	92.7	Very high	23 Å²	23	48.5 Å²	48.5	14%	0.139	22%	0.222	C	C	.	.			trans	-95.1	88.8	-180	179.5	0	0	0	0	110.8	I114 L144 P145 Q149 F150	I114-V147 HydrophobicContact CD1-CG1 3.8Å; I114-V147 HydrophobicContact CD1-CG2 4.02Å; I114-V147 HydrophobicContact CG1-CG1 3.89Å; I114-V147 HydrophobicContact CG1-CG2 4.1Å; I114-V147 HydrophobicContact CG2-CG1 3.88Å; L144-V147 HydrophobicContact CB-CB 4.39Å; L144-V147 HydrophobicContact CB-CG2 3.93Å; L144-V147 PolarHBondContact O-N 3.29Å; P145-V147 VanDerWaalsContact C-N 3.26Å; P145-V147 PolarHBondContact O-N 3.08Å; V147-Q149 HydrophobicContact CG1-CB 4.18Å; V147-Q149 PolarHBondContact O-N 3.49Å; V147-F150 HydrophobicContact CB-CD2 3.76Å; V147-F150 HydrophobicContact CB-CE2 3.92Å; V147-F150 HydrophobicContact CB-CG 4.31Å; V147-F150 HydrophobicContact CG1-CD1 4.1Å; V147-F150 HydrophobicContact CG1-CD2 3.77Å; V147-F150 HydrophobicContact CG1-CE1 4.17Å; V147-F150 HydrophobicContact CG1-CE2 3.83Å; V147-F150 HydrophobicContact CG1-CG 3.93Å; V147-F150 HydrophobicContact CG1-CZ 4.05Å; V147-F150 HydrophobicContact CG2-CE2 4.38Å; V147-F150 PolarHBondContact O-N 3.02Å
148	N	92.6	Very high	92.5	Very high	34 Å²	34	48.6 Å²	48.6	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-54.4	-30.1	-177.8	-58.2	-18.4	0	0	0	113.4	R146 F150 W151 Y152 W174 E180	R146-N148 PolarHBondContact O-N 2.82Å; N148-F150 PolarHBondContact O-N 3.33Å; N148-W151 PolarHBondContact O-N 2.87Å; N148-Y152 HydrophobicContact CB-CD2 4.11Å; N148-Y152 HydrophobicContact CB-CE2 3.7Å; N148-Y152 WeakPolarHBondContact O-CD2 3.12Å; N148-Y152 PolarHBondContact O-N 3.14Å; N148-W174 HydrophobicContact CB-CZ2 3.88Å; N148-E180 PolarHBondContact ND2-OE1 3.47Å; N148-E180 PolarHBondContact ND2-OE2 3.21Å; N148-E180 VanDerWaalsContact ND2-OE2 3.1Å
149	Q	92.4	Very high	92.4	Very high	105 Å²	105	47.7 Å²	47.7	49%	0.491	22%	0.216	S	C	.	.	H	α-helix	trans	-58.1	-29.1	176.7	-62	-174.7	10.9	0	0	114	V147 K153	V147-Q149 HydrophobicContact CG1-CB 4.18Å; V147-Q149 PolarHBondContact O-N 3.49Å; Q149-K153 WeakPolarHBondContact O-CB 3.44Å; Q149-K153 WeakPolarHBondContact O-CG 3.49Å; Q149-K153 PolarHBondContact O-N 3.46Å
150	F	93.9	Very high	92.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-76.3	-47.3	176.2	-61.4	-24.5	0	0	0	111.1	I114 W117 L118 W137 A140 I141 L144 V147 N148 K153 Y154	I114-F150 HydrophobicContact CB-CE1 4.47Å; I114-F150 HydrophobicContact CB-CZ 4.34Å; I114-F150 HydrophobicContact CG2-CE1 3.71Å; I114-F150 HydrophobicContact CG2-CZ 4.02Å; W117-F150 HydrophobicContact CB-CE1 3.67Å; W117-F150 HydrophobicContact CB-CE2 4.47Å; W117-F150 HydrophobicContact CB-CZ 3.52Å; W117-F150 AromaticContact CD1-CZ 3.78Å; W117-F150 HydrophobicContact CG-CE1 4.42Å; W117-F150 HydrophobicContact CG-CE2 4.42Å; W117-F150 AromaticContact CG-CZ 3.79Å; W117-F150 HydrophobicContact CG-CZ 3.79Å; L118-F150 HydrophobicContact CD2-CD1 3.84Å; L118-F150 HydrophobicContact CD2-CE1 3.88Å; L118-F150 HydrophobicContact CG-CE1 4.17Å; W137-F150 HydrophobicContact CE3-CB 4.34Å; W137-F150 HydrophobicContact CE3-CD1 4.49Å; W137-F150 HydrophobicContact CZ3-CB 4.31Å; W137-F150 AromaticContact CZ3-CD1 3.79Å; W137-F150 HydrophobicContact CZ3-CD1 3.79Å; W137-F150 HydrophobicContact CZ3-CG 4.34Å; A140-F150 HydrophobicContact CB-CD2 3.8Å; A140-F150 HydrophobicContact CB-CE2 3.95Å; A140-F150 HydrophobicContact CB-CG 4.15Å; A140-F150 HydrophobicContact CB-CZ 4.42Å; I141-F150 HydrophobicContact CG2-CB 3.97Å; L144-F150 HydrophobicContact CB-CD2 4.31Å; L144-F150 HydrophobicContact CB-CE2 3.84Å; L144-F150 HydrophobicContact CD1-CE2 3.7Å; L144-F150 HydrophobicContact CD1-CZ 4.17Å; L144-F150 HydrophobicContact CG-CE2 4.4Å; V147-F150 HydrophobicContact CB-CD2 3.76Å; V147-F150 HydrophobicContact CB-CE2 3.92Å; V147-F150 HydrophobicContact CB-CG 4.31Å; V147-F150 HydrophobicContact CG1-CD1 4.1Å; V147-F150 HydrophobicContact CG1-CD2 3.77Å; V147-F150 HydrophobicContact CG1-CE1 4.17Å; V147-F150 HydrophobicContact CG1-CE2 3.83Å; V147-F150 HydrophobicContact CG1-CG 3.93Å; V147-F150 HydrophobicContact CG1-CZ 4.05Å; V147-F150 HydrophobicContact CG2-CE2 4.38Å; V147-F150 PolarHBondContact O-N 3.02Å; N148-F150 PolarHBondContact O-N 3.33Å; F150-K153 PolarHBondContact O-N 2.95Å; F150-Y154 VanDerWaalsContact O-CB 3.31Å; F150-Y154 WeakPolarHBondContact O-CB 3.3Å; F150-Y154 PolarHBondContact O-N 3.3Å
151	W	94	Very high	91.9	Very high	3 Å²	3	53.1 Å²	53.1	1%	0.011	25%	0.249	C	C	.	.	H	α-helix	trans	-57.8	-51.4	176.6	-62.4	102.3	0	0	0	111.7	I141 P145 N148 K153 Y154 T155 V170 R173 W174 W177	I141-W151 HydrophobicContact CB-CD2 4.19Å; I141-W151 HydrophobicContact CB-CE3 4.35Å; I141-W151 HydrophobicContact CB-CH2 4.02Å; I141-W151 HydrophobicContact CB-CZ2 3.8Å; I141-W151 HydrophobicContact CB-CZ3 4.28Å; I141-W151 HydrophobicContact CD1-CE3 4.1Å; I141-W151 HydrophobicContact CD1-CH2 3.76Å; I141-W151 HydrophobicContact CD1-CZ2 4.43Å; I141-W151 HydrophobicContact CD1-CZ3 3.56Å; I141-W151 HydrophobicContact CG1-CH2 4.3Å; I141-W151 HydrophobicContact CG1-CZ3 4.45Å; I141-W151 HydrophobicContact CG2-CD2 3.69Å; I141-W151 HydrophobicContact CG2-CE3 3.95Å; I141-W151 HydrophobicContact CG2-CG 4.12Å; I141-W151 HydrophobicContact CG2-CZ2 4.25Å; I141-W151 HydrophobicContact CG2-CZ3 4.35Å; P145-W151 HydrophobicContact CB-CZ2 4.44Å; P145-W151 PolarHBondContact O-NE1 2.96Å; N148-W151 PolarHBondContact O-N 2.87Å; W151-K153 VanDerWaalsContact C-N 3.31Å; W151-K153 PolarHBondContact O-N 3.2Å; W151-Y154 PolarHBondContact O-N 3.37Å; W151-Y154 VanDerWaalsContact O-N 3.15Å; W151-T155 PolarHBondContact O-N 2.9Å; W151-T155 PolarHBondContact O-OG1 2.79Å; W151-V170 HydrophobicContact CE3-CG1 3.85Å; W151-V170 HydrophobicContact CZ3-CG1 4.11Å; W151-V170 WeakPolarHBondContact CZ3-O 3.43Å; W151-R173 HydrophobicContact CH2-CB 4.23Å; W151-R173 VanDerWaalsContact CH2-O 3.28Å; W151-R173 WeakPolarHBondContact CH2-O 3.42Å; W151-R173 HydrophobicContact CZ3-CB 4.13Å; W151-W174 HydrophobicContact CB-CD2 3.52Å; W151-W174 VanDerWaalsContact CB-CE2 3.5Å; W151-W174 HydrophobicContact CB-CE3 3.77Å; W151-W174 HydrophobicContact CB-CG 4.05Å; W151-W174 HydrophobicContact CB-CH2 3.98Å; W151-W174 HydrophobicContact CB-CZ2 3.75Å; W151-W174 HydrophobicContact CB-CZ3 4Å; W151-W174 AromaticContact CD1-CD1 3.65Å; W151-W174 AromaticContact CD1-CE2 3.77Å; W151-W174 AromaticContact CD1-NE1 3.34Å; W151-W174 VanDerWaalsContact CD1-NE1 3.34Å; W151-W174 HydrophobicContact CD2-CB 3.85Å; W151-W174 AromaticContact CD2-CD1 3.49Å; W151-W174 VanDerWaalsContact CD2-CD1 3.49Å; W151-W174 HydrophobicContact CD2-CD2 4.01Å; W151-W174 AromaticContact CD2-CG 3.51Å; W151-W174 HydrophobicContact CD2-CG 3.51Å; W151-W174 AromaticContact CD2-NE1 3.95Å; W151-W174 AromaticContact CE2-CD1 3.46Å; W151-W174 VanDerWaalsContact CE2-CD1 3.46Å; W151-W174 AromaticContact CE2-CG 3.93Å; W151-W174 AromaticContact CE2-NE1 4Å; W151-W174 HydrophobicContact CE3-CB 3.51Å; W151-W174 HydrophobicContact CE3-CD2 4.35Å; W151-W174 AromaticContact CE3-CG 3.72Å; W151-W174 HydrophobicContact CE3-CG 3.72Å; W151-W174 HydrophobicContact CG-CB 4.48Å; W151-W174 AromaticContact CG-CD1 3.59Å; W151-W174 AromaticContact CG-CD2 3.69Å; W151-W174 HydrophobicContact CG-CD2 3.69Å; W151-W174 AromaticContact CG-CE2 3.58Å; W151-W174 HydrophobicContact CG-CE3 4.41Å; W151-W174 AromaticContact CG-CG 3.7Å; W151-W174 HydrophobicContact CG-CG 3.7Å; W151-W174 HydrophobicContact CG-CZ2 4.23Å; W151-W174 AromaticContact CG-NE1 3.51Å; W151-W174 HydrophobicContact CH2-CB 4.14Å; W151-W174 HydrophobicContact CZ2-CB 4.45Å; W151-W174 HydrophobicContact CZ2-CG 4.46Å; W151-W174 HydrophobicContact CZ3-CB 3.66Å; W151-W174 HydrophobicContact CZ3-CG 4.26Å; W151-W174 AromaticContact NE1-CD1 3.56Å; W151-W174 AromaticContact NE1-NE1 3.63Å; W151-W177 AromaticContact CZ2-CD1 4Å
152	Y	94.2	Very high	91.7	Very high	69 Å²	69	55.7 Å²	55.7	27%	0.271	28%	0.276	S	S	.	.	H	α-helix	trans	-56.4	-40.3	176.3	-69.3	-59.8	0	0	0	113	N148 T155 Y156 W174 E180 Q182 A183	N148-Y152 HydrophobicContact CB-CD2 4.11Å; N148-Y152 HydrophobicContact CB-CE2 3.7Å; N148-Y152 WeakPolarHBondContact O-CD2 3.12Å; N148-Y152 PolarHBondContact O-N 3.14Å; Y152-T155 PolarHBondContact O-OG1 2.71Å; Y152-Y156 WeakPolarHBondContact O-CB 3.31Å; Y152-Y156 PolarHBondContact O-N 3.26Å; Y152-W174 AromaticContact CD1-CH2 3.79Å; Y152-W174 HydrophobicContact CD1-CH2 3.79Å; Y152-W174 HydrophobicContact CD1-CZ3 4.16Å; Y152-W174 HydrophobicContact CD2-CH2 4.33Å; Y152-W174 AromaticContact CE1-CH2 3.53Å; Y152-W174 HydrophobicContact CE1-CH2 3.53Å; Y152-W174 HydrophobicContact CE1-CZ3 4.11Å; Y152-W174 HydrophobicContact CE2-CH2 4.08Å; Y152-W174 HydrophobicContact CG-CH2 4.17Å; Y152-W174 AromaticContact CZ-CH2 3.65Å; Y152-E180 PolarHBondContact OH-OE1 3.4Å; Y152-Q182 WeakPolarHBondContact OH-CG 3.21Å; Y152-A183 PolarHBondContact OH-N 3.06Å
153	K	92.3	Very high	91.6	Very high	73 Å²	73	54.2 Å²	54.2	32%	0.317	27%	0.265	S	S	.	.	H	α-helix	trans	-75.9	-30.9	178.9	-80.3	172.1	176.1	-87.3	0	112.9	L118 E122 W137 Q149 F150 W151 M157	L118-K153 HydrophobicContact CD2-CD 3.41Å; L118-K153 VanDerWaalsContact CD2-CD 3.41Å; E122-K153 IonicContact OE1-NZ 3.33Å; E122-K153 PolarHBondContact OE1-NZ 2.94Å; W137-K153 HydrophobicContact CH2-CB 3.72Å; W137-K153 HydrophobicContact CH2-CD 3.77Å; W137-K153 HydrophobicContact CH2-CG 4.39Å; W137-K153 HydrophobicContact CZ2-CB 3.74Å; W137-K153 HydrophobicContact CZ2-CD 4.3Å; W137-K153 HydrophobicContact CZ3-CB 4.32Å; Q149-K153 WeakPolarHBondContact O-CB 3.44Å; Q149-K153 WeakPolarHBondContact O-CG 3.49Å; Q149-K153 PolarHBondContact O-N 3.46Å; F150-K153 PolarHBondContact O-N 2.95Å; W151-K153 VanDerWaalsContact C-N 3.31Å; W151-K153 PolarHBondContact O-N 3.2Å; K153-M157 VanDerWaalsContact O-CB 3.32Å; K153-M157 WeakPolarHBondContact O-CB 3.34Å; K153-M157 PolarHBondContact O-N 3.17Å
154	Y	93.8	Very high	91.6	Very high	23 Å²	23	52.3 Å²	52.3	9%	0.09	26%	0.257	C	S	.	.	H	α-helix	trans	-77.3	-44.5	179.4	-174.8	-158.6	0	0	0	111.8	W137 I141 F150 W151 M157 E158 V170	W137-Y154 HydrophobicContact CB-CD1 3.88Å; W137-Y154 HydrophobicContact CB-CD2 3.7Å; W137-Y154 HydrophobicContact CB-CE1 4.29Å; W137-Y154 HydrophobicContact CB-CE2 4.16Å; W137-Y154 HydrophobicContact CB-CG 3.58Å; W137-Y154 AromaticContact CD1-CD2 3.86Å; W137-Y154 AromaticContact CG-CD2 3.95Å; W137-Y154 HydrophobicContact CG-CD2 3.95Å; W137-Y154 AromaticContact CG-CG 3.97Å; W137-Y154 HydrophobicContact CG-CG 3.97Å; I141-Y154 HydrophobicContact CD1-CD1 4.01Å; I141-Y154 HydrophobicContact CD1-CE1 3.94Å; F150-Y154 VanDerWaalsContact O-CB 3.31Å; F150-Y154 WeakPolarHBondContact O-CB 3.3Å; F150-Y154 PolarHBondContact O-N 3.3Å; W151-Y154 PolarHBondContact O-N 3.37Å; W151-Y154 VanDerWaalsContact O-N 3.15Å; Y154-M157 HydrophobicContact CD2-CE 3.87Å; Y154-M157 HydrophobicContact CE2-CE 3.88Å; Y154-M157 WeakPolarHBondContact O-CB 3.49Å; Y154-M157 PolarHBondContact O-N 3.3Å; Y154-M157 VanDerWaalsContact O-N 3.16Å; Y154-E158 HydrophobicContact CD2-CG 4.15Å; Y154-E158 HydrophobicContact CE2-CG 3.8Å; Y154-E158 PolarHBondContact O-N 3.02Å; Y154-V170 HydrophobicContact CD1-CB 4.44Å; Y154-V170 HydrophobicContact CD1-CG1 3.6Å; Y154-V170 HydrophobicContact CD1-CG2 3.86Å; Y154-V170 HydrophobicContact CE1-CB 4.4Å; Y154-V170 HydrophobicContact CE1-CG1 3.99Å; Y154-V170 HydrophobicContact CE1-CG2 3.4Å; Y154-V170 VanDerWaalsContact CE1-CG2 3.4Å; Y154-V170 HydrophobicContact CE2-CG2 4.31Å; Y154-V170 HydrophobicContact CG-CG1 4.19Å; Y154-V170 HydrophobicContact CG-CG2 4.48Å
155	T	92.4	Very high	91.6	Very high	7 Å²	7	54.4 Å²	54.4	4%	0.043	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-45.3	173	54.4	0	0	0	0	111.1	W151 Y152 M157 E158 E159 C167 V170 F171	W151-T155 PolarHBondContact O-N 2.9Å; W151-T155 PolarHBondContact O-OG1 2.79Å; Y152-T155 PolarHBondContact O-OG1 2.71Å; T155-M157 VanDerWaalsContact C-N 3.29Å; T155-M157 PolarHBondContact O-N 3.23Å; T155-E158 PolarHBondContact O-N 3.46Å; T155-E159 WeakPolarHBondContact O-CB 3.42Å; T155-E159 PolarHBondContact O-N 3.03Å; T155-C167 PolarHBondContact O-SG 3.31Å; T155-V170 HydrophobicContact CG2-CB 4.08Å; T155-V170 HydrophobicContact CG2-CG1 3.57Å; T155-F171 HydrophobicContact CG2-CD1 4.02Å; T155-F171 HydrophobicContact CG2-CD2 3.87Å; T155-F171 HydrophobicContact CG2-CE1 3.92Å; T155-F171 HydrophobicContact CG2-CE2 3.77Å; T155-F171 HydrophobicContact CG2-CG 3.99Å; T155-F171 HydrophobicContact CG2-CZ 3.8Å
156	Y	93.1	Very high	91.5	Very high	139 Å²	139	53.9 Å²	53.9	55%	0.545	28%	0.276	S	S	.	.	H	α-helix	trans	-59.4	-37.1	173	-177.4	-102.9	0	0	0	112.7	Y152 M160	Y152-Y156 WeakPolarHBondContact O-CB 3.31Å; Y152-Y156 PolarHBondContact O-N 3.26Å; Y156-M160 HydrophobicContact CD1-CG 4.1Å; Y156-M160 HydrophobicContact CD2-CG 4.21Å; Y156-M160 HydrophobicContact CE1-CG 3.75Å; Y156-M160 HydrophobicContact CE2-CG 3.87Å; Y156-M160 HydrophobicContact CE2-SD 4.09Å; Y156-M160 HydrophobicContact CG-CG 4.33Å; Y156-M160 VanDerWaalsContact O-CB 3.29Å; Y156-M160 WeakPolarHBondContact O-CB 3.41Å; Y156-M160 WeakPolarHBondContact O-CG 3.37Å; Y156-M160 PolarHBondContact O-N 2.71Å
157	M	91.2	Very high	91.6	Very high	13 Å²	13	46.1 Å²	46.1	6%	0.064	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-47.8	175.3	-172.2	-166.6	76.5	0	0	111.6	M125 A133 R134 W137 K153 Y154 T155 M160 L161	M125-M157 HydrophobicContact CG-SD 4.08Å; M125-M157 HydrophobicContact SD-CB 4.37Å; M125-M157 HydrophobicContact SD-CG 3.91Å; M125-M157 HydrophobicContact SD-SD 3.84Å; A133-M157 HydrophobicContact CB-SD 3.96Å; R134-M157 HydrophobicContact CG-CE 3.57Å; W137-M157 VanDerWaalsContact CD1-SD 3.57Å; K153-M157 VanDerWaalsContact O-CB 3.32Å; K153-M157 WeakPolarHBondContact O-CB 3.34Å; K153-M157 PolarHBondContact O-N 3.17Å; Y154-M157 HydrophobicContact CD2-CE 3.87Å; Y154-M157 HydrophobicContact CE2-CE 3.88Å; Y154-M157 WeakPolarHBondContact O-CB 3.49Å; Y154-M157 PolarHBondContact O-N 3.3Å; Y154-M157 VanDerWaalsContact O-N 3.16Å; T155-M157 VanDerWaalsContact C-N 3.29Å; T155-M157 PolarHBondContact O-N 3.23Å; M157-M160 PolarHBondContact O-N 3.39Å; M157-L161 HydrophobicContact CE-CD1 4.15Å; M157-L161 HydrophobicContact CG-CD1 3.95Å; M157-L161 WeakPolarHBondContact O-CB 3.28Å; M157-L161 WeakPolarHBondContact O-CD1 3.49Å; M157-L161 WeakPolarHBondContact O-CG 3.4Å; M157-L161 PolarHBondContact O-N 2.66Å
158	E	89.9	Confident	91.5	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.014	25%	0.251	C	S	.	.	H	α-helix	trans	-67.6	-35.2	178.6	-66.6	-58.6	147.4	0	0	112.4	R134 Y154 T155 L161 G162 N163 C167	R134-E158 WeakPolarHBondContact CG-OE1 3.46Å; R134-E158 IonicContact CZ-OE1 3.04Å; R134-E158 IonicContact CZ-OE2 2.76Å; R134-E158 IonicContact NE-OE1 2.77Å; R134-E158 PolarHBondContact NE-OE1 3.25Å; R134-E158 IonicContact NE-OE2 3.17Å; R134-E158 PolarHBondContact NE-OE2 3.24Å; R134-E158 IonicContact NH2-OE1 2.99Å; R134-E158 PolarHBondContact NH2-OE1 3.39Å; R134-E158 IonicContact NH2-OE2 2.67Å; R134-E158 PolarHBondContact NH2-OE2 3.05Å; Y154-E158 HydrophobicContact CD2-CG 4.15Å; Y154-E158 HydrophobicContact CE2-CG 3.8Å; Y154-E158 PolarHBondContact O-N 3.02Å; T155-E158 PolarHBondContact O-N 3.46Å; E158-L161 CarbonylContact O-C 3.47Å; E158-L161 PolarHBondContact O-N 3.11Å; E158-G162 PolarHBondContact O-N 2.82Å; E158-N163 HydrophobicContact CB-CB 4.36Å; E158-N163 PolarHBondContact O-N 3.31Å; E158-N163 WeakPolarHBondContact OE2-CB 3.4Å; E158-N163 PolarHBondContact OE2-ND2 3.35Å; E158-C167 HydrophobicContact CB-CB 3.95Å
159	E	91.9	Very high	91.6	Very high	38 Å²	38	52.5 Å²	52.5	18%	0.178	27%	0.272	C	S	.	.	H	α-helix	trans	-63.5	-46.8	172.6	-174.8	174.3	-174.7	0	0	111.8	T155 L161 G162 F190 R193	T155-E159 WeakPolarHBondContact O-CB 3.42Å; T155-E159 PolarHBondContact O-N 3.03Å; E159-L161 PolarHBondContact O-N 2.97Å; E159-G162 WeakPolarHBondContact O-CA 3.49Å; E159-G162 PolarHBondContact O-N 3.32Å; E159-F190 HydrophobicContact CG-CE2 4.38Å; E159-R193 IonicContact OE1-CZ 3.6Å; E159-R193 VanDerWaalsContact OE1-CZ 3.24Å; E159-R193 IonicContact OE1-NE 3.35Å; E159-R193 PolarHBondContact OE1-NE 3.42Å; E159-R193 IonicContact OE1-NH2 3.53Å; E159-R193 PolarHBondContact OE1-NH2 3.38Å; E159-R193 IonicContact OE2-CZ 2.79Å; E159-R193 IonicContact OE2-NH2 3.48Å; E159-R193 PolarHBondContact OE2-NH2 3.48Å
160	M	88.4	Confident	91.6	Very high	131 Å²	131	47.7 Å²	47.7	65%	0.645	25%	0.25	S	C	*	.	H	α-helix	trans	-67.4	-17.8	175.7	-70.3	-68.3	-70	0	0	113.5	Y156 M157	Y156-M160 HydrophobicContact CD1-CG 4.1Å; Y156-M160 HydrophobicContact CD2-CG 4.21Å; Y156-M160 HydrophobicContact CE1-CG 3.75Å; Y156-M160 HydrophobicContact CE2-CG 3.87Å; Y156-M160 HydrophobicContact CE2-SD 4.09Å; Y156-M160 HydrophobicContact CG-CG 4.33Å; Y156-M160 VanDerWaalsContact O-CB 3.29Å; Y156-M160 WeakPolarHBondContact O-CB 3.41Å; Y156-M160 WeakPolarHBondContact O-CG 3.37Å; Y156-M160 PolarHBondContact O-N 2.71Å; M157-M160 PolarHBondContact O-N 3.39Å
161	L	87.8	Confident	91.6	Very high	78 Å²	78	47.9 Å²	47.9	41%	0.408	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-0.5	170.2	-68.9	165.2	0	0	0	112.9	V130 M157 E158 E159 N163	V130-L161 HydrophobicContact CG1-CD1 3.52Å; V130-L161 HydrophobicContact CG1-CD2 4.14Å; V130-L161 HydrophobicContact CG2-CD2 4.06Å; M157-L161 HydrophobicContact CE-CD1 4.15Å; M157-L161 HydrophobicContact CG-CD1 3.95Å; M157-L161 WeakPolarHBondContact O-CB 3.28Å; M157-L161 WeakPolarHBondContact O-CD1 3.49Å; M157-L161 WeakPolarHBondContact O-CG 3.4Å; M157-L161 PolarHBondContact O-N 2.66Å; E158-L161 CarbonylContact O-C 3.47Å; E158-L161 PolarHBondContact O-N 3.11Å; E159-L161 PolarHBondContact O-N 2.97Å; L161-N163 PolarHBondContact O-N 2.79Å
162	G	88	Confident	91.5	Very high	55 Å²	55	50.6 Å²	50.6	57%	0.567	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	7.5	-177.1	0	0	0	0	0	114.7	E158 E159 V164	E158-G162 PolarHBondContact O-N 2.82Å; E159-G162 WeakPolarHBondContact O-CA 3.49Å; E159-G162 PolarHBondContact O-N 3.32Å; G162-V164 VanDerWaalsContact C-N 3.3Å; G162-V164 PolarHBondContact O-N 3.09Å
163	N	92.1	Very high	91.4	Very high	57 Å²	57	50.7 Å²	50.7	31%	0.305	26%	0.263	S	S	.	.			trans	-85.3	67.9	-176.4	-174.7	14.9	0	0	0	111.4	E158 L161 A165 G166 C167	E158-N163 HydrophobicContact CB-CB 4.36Å; E158-N163 PolarHBondContact O-N 3.31Å; E158-N163 WeakPolarHBondContact OE2-CB 3.4Å; E158-N163 PolarHBondContact OE2-ND2 3.35Å; L161-N163 PolarHBondContact O-N 2.79Å; N163-A165 PolarHBondContact O-N 3.28Å; N163-G166 PolarHBondContact O-N 3.29Å; N163-G166 PolarHBondContact OD1-N 2.99Å; N163-C167 WeakPolarHBondContact O-CB 3.41Å; N163-C167 PolarHBondContact O-N 3.03Å
164	V	90.4	Very high	91.5	Very high	34 Å²	34	47.3 Å²	47.3	21%	0.206	25%	0.248	C	C	.	.	H	α-helix	trans	-56	-38.5	-178	-169.7	0	0	0	0	111.9	G162 C167 R168 F190 Y194	G162-V164 VanDerWaalsContact C-N 3.3Å; G162-V164 PolarHBondContact O-N 3.09Å; V164-C167 PolarHBondContact O-N 2.83Å; V164-R168 WeakPolarHBondContact O-CG 3.4Å; V164-R168 PolarHBondContact O-N 3.48Å; V164-F190 HydrophobicContact CG1-CE1 4.44Å; V164-F190 HydrophobicContact CG1-CZ 3.8Å; V164-Y194 HydrophobicContact CG1-CD2 4.2Å; V164-Y194 HydrophobicContact CG1-CE1 4.37Å; V164-Y194 HydrophobicContact CG1-CE2 3.98Å; V164-Y194 HydrophobicContact CG2-CE1 3.83Å; V164-Y194 HydrophobicContact CG2-CE2 4.43Å
165	A	91	Very high	91.3	Very high	73 Å²	73	46.7 Å²	46.7	60%	0.603	25%	0.246	S	C	*	.	H	α-helix	trans	-68.2	-45.2	178.7	0	0	0	0	0	112.7	N163 R168 Q169	N163-A165 PolarHBondContact O-N 3.28Å; A165-R168 PolarHBondContact O-N 2.75Å; A165-Q169 PolarHBondContact O-N 2.72Å
166	G	89.9	Confident	91.2	Very high	11 Å²	11	53.3 Å²	53.3	11%	0.113	28%	0.277	C	S	.	.	H	α-helix	trans	-65	-39.2	173.8	0	0	0	0	0	112.4	N163 R168 Q169 V170	N163-G166 PolarHBondContact O-N 3.29Å; N163-G166 PolarHBondContact OD1-N 2.99Å; G166-R168 PolarHBondContact O-N 3.28Å; G166-Q169 WeakPolarHBondContact O-CB 3.32Å; G166-Q169 PolarHBondContact O-N 2.91Å; G166-V170 WeakPolarHBondContact O-CG2 3.32Å; G166-V170 PolarHBondContact O-N 3.36Å
167	C	91.6	Very high	91.1	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-44.8	175.4	-167.1	0	0	0	0	111.7	T155 E158 N163 V164 Q169 V170 F171 F190	T155-C167 PolarHBondContact O-SG 3.31Å; E158-C167 HydrophobicContact CB-CB 3.95Å; N163-C167 WeakPolarHBondContact O-CB 3.41Å; N163-C167 PolarHBondContact O-N 3.03Å; V164-C167 PolarHBondContact O-N 2.83Å; C167-Q169 PolarHBondContact O-N 3.46Å; C167-V170 PolarHBondContact O-N 2.85Å; C167-F171 VanDerWaalsContact O-CD2 3.31Å; C167-F171 WeakPolarHBondContact O-CD2 3.24Å; C167-F171 PolarHBondContact O-N 2.88Å; C167-F171 VanDerWaalsContact SG-CE2 3.58Å; C167-F190 HydrophobicContact CB-CE2 3.89Å; C167-F190 HydrophobicContact CB-CZ 3.9Å; C167-F190 WeakPolarHBondContact SG-CE2 3.32Å
168	R	91.5	Very high	91	Very high	59 Å²	59	57 Å²	57	22%	0.223	30%	0.295	C	S	.	.	H	α-helix	trans	-57.6	-45.2	170.5	-75.8	174.3	173.1	151	-6	112.4	V164 A165 G166 V170 F171 E172 F190 E191 E196	V164-R168 WeakPolarHBondContact O-CG 3.4Å; V164-R168 PolarHBondContact O-N 3.48Å; A165-R168 PolarHBondContact O-N 2.75Å; G166-R168 PolarHBondContact O-N 3.28Å; R168-V170 VanDerWaalsContact C-N 3.29Å; R168-V170 PolarHBondContact O-N 3.47Å; R168-F171 PolarHBondContact O-N 3.07Å; R168-F171 VanDerWaalsContact O-N 3.17Å; R168-E172 WeakPolarHBondContact O-CG 3.4Å; R168-E172 PolarHBondContact O-N 3.26Å; R168-F190 HydrophobicContact CG-CE1 3.64Å; R168-F190 HydrophobicContact CG-CZ 4.12Å; R168-E191 WeakPolarHBondContact CG-OE1 3.3Å; R168-E191 IonicContact CZ-OE1 3.63Å; R168-E191 IonicContact CZ-OE2 2.66Å; R168-E191 IonicContact NE-OE1 3.8Å; R168-E191 PolarHBondContact NE-OE1 2.64Å; R168-E191 IonicContact NE-OE2 3.69Å; R168-E191 PolarHBondContact NE-OE2 3.28Å; R168-E191 IonicContact NH2-OE1 3.7Å; R168-E191 IonicContact NH2-OE2 3.87Å; R168-E191 PolarHBondContact NH2-OE2 3.26Å; R168-E196 IonicContact CZ-OE1 2.73Å; R168-E196 IonicContact NH1-OE1 3.54Å; R168-E196 IonicContact NH2-OE1 2.65Å; R168-E196 PolarHBondContact NH2-OE1 2.97Å
169	Q	93.1	Very high	90.9	Very high	132 Å²	132	57.1 Å²	57.1	62%	0.617	30%	0.295	S	S	*	.	H	α-helix	trans	-62	-36.1	177.5	-169.4	-178.8	14.8	0	0	112.6	A165 G166 C167 R173	A165-Q169 PolarHBondContact O-N 2.72Å; G166-Q169 WeakPolarHBondContact O-CB 3.32Å; G166-Q169 PolarHBondContact O-N 2.91Å; C167-Q169 PolarHBondContact O-N 3.46Å; Q169-R173 WeakPolarHBondContact O-CB 3.4Å; Q169-R173 WeakPolarHBondContact O-CG 3.01Å; Q169-R173 PolarHBondContact O-N 3.11Å; Q169-R173 VanDerWaalsContact O-N 3.08Å
170	V	93.3	Very high	90.7	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.024	31%	0.306	C	S	.	.	H	α-helix	trans	-70.6	-39.4	173.9	176.3	0	0	0	0	111.2	W151 Y154 T155 G166 C167 R168 W174	W151-V170 HydrophobicContact CE3-CG1 3.85Å; W151-V170 HydrophobicContact CZ3-CG1 4.11Å; W151-V170 WeakPolarHBondContact CZ3-O 3.43Å; Y154-V170 HydrophobicContact CD1-CB 4.44Å; Y154-V170 HydrophobicContact CD1-CG1 3.6Å; Y154-V170 HydrophobicContact CD1-CG2 3.86Å; Y154-V170 HydrophobicContact CE1-CB 4.4Å; Y154-V170 HydrophobicContact CE1-CG1 3.99Å; Y154-V170 HydrophobicContact CE1-CG2 3.4Å; Y154-V170 VanDerWaalsContact CE1-CG2 3.4Å; Y154-V170 HydrophobicContact CE2-CG2 4.31Å; Y154-V170 HydrophobicContact CG-CG1 4.19Å; Y154-V170 HydrophobicContact CG-CG2 4.48Å; T155-V170 HydrophobicContact CG2-CB 4.08Å; T155-V170 HydrophobicContact CG2-CG1 3.57Å; G166-V170 WeakPolarHBondContact O-CG2 3.32Å; G166-V170 PolarHBondContact O-N 3.36Å; C167-V170 PolarHBondContact O-N 2.85Å; R168-V170 VanDerWaalsContact C-N 3.29Å; R168-V170 PolarHBondContact O-N 3.47Å; V170-W174 WeakPolarHBondContact O-CB 3.38Å; V170-W174 PolarHBondContact O-N 3.2Å
171	F	92.8	Very high	90.8	Very high	3 Å²	3	55 Å²	55	1%	0.013	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-45.8	173.8	-84.8	-63.8	0	0	0	112.5	T155 C167 R168 W174 M175 Y187 F190	T155-F171 HydrophobicContact CG2-CD1 4.02Å; T155-F171 HydrophobicContact CG2-CD2 3.87Å; T155-F171 HydrophobicContact CG2-CE1 3.92Å; T155-F171 HydrophobicContact CG2-CE2 3.77Å; T155-F171 HydrophobicContact CG2-CG 3.99Å; T155-F171 HydrophobicContact CG2-CZ 3.8Å; C167-F171 VanDerWaalsContact O-CD2 3.31Å; C167-F171 WeakPolarHBondContact O-CD2 3.24Å; C167-F171 PolarHBondContact O-N 2.88Å; C167-F171 VanDerWaalsContact SG-CE2 3.58Å; R168-F171 PolarHBondContact O-N 3.07Å; R168-F171 VanDerWaalsContact O-N 3.17Å; F171-W174 AromaticContact CD1-CE3 3.93Å; F171-W174 HydrophobicContact CD1-CE3 3.93Å; F171-W174 HydrophobicContact CD1-CZ3 4.35Å; F171-W174 HydrophobicContact CE1-CE3 4.08Å; F171-W174 HydrophobicContact CE1-CZ3 4.02Å; F171-W174 WeakPolarHBondContact O-CA 3.35Å; F171-W174 VanDerWaalsContact O-CB 3.32Å; F171-W174 WeakPolarHBondContact O-CB 3.31Å; F171-W174 PolarHBondContact O-N 2.91Å; F171-M175 HydrophobicContact CD1-CE 4.14Å; F171-M175 WeakPolarHBondContact O-CG 3.38Å; F171-M175 PolarHBondContact O-N 3.27Å; F171-Y187 HydrophobicContact CB-CD1 3.95Å; F171-Y187 HydrophobicContact CB-CD2 3.61Å; F171-Y187 HydrophobicContact CB-CE1 4.02Å; F171-Y187 HydrophobicContact CB-CE2 3.72Å; F171-Y187 HydrophobicContact CB-CG 3.77Å; F171-Y187 HydrophobicContact CD1-CD1 4.46Å; F171-Y187 AromaticContact CD1-CD2 3.92Å; F171-Y187 HydrophobicContact CD1-CD2 3.92Å; F171-Y187 AromaticContact CD1-CG 3.73Å; F171-Y187 HydrophobicContact CD1-CG 3.73Å; F171-Y187 AromaticContact CD2-CD2 3.64Å; F171-Y187 HydrophobicContact CD2-CD2 3.64Å; F171-Y187 HydrophobicContact CD2-CE2 4.1Å; F171-Y187 HydrophobicContact CD2-CG 4.31Å; F171-Y187 HydrophobicContact CE1-CD2 4.47Å; F171-Y187 HydrophobicContact CE1-CG 4.36Å; F171-Y187 HydrophobicContact CE2-CD2 4.22Å; F171-Y187 HydrophobicContact CG-CD1 4.38Å; F171-Y187 AromaticContact CG-CD2 3.46Å; F171-Y187 HydrophobicContact CG-CD2 3.46Å; F171-Y187 VanDerWaalsContact CG-CD2 3.46Å; F171-Y187 HydrophobicContact CG-CE2 4.02Å; F171-Y187 AromaticContact CG-CG 3.7Å; F171-Y187 HydrophobicContact CG-CG 3.7Å; F171-F190 HydrophobicContact CD2-CD1 4.2Å; F171-F190 HydrophobicContact CD2-CE1 4.47Å; F171-F190 HydrophobicContact CD2-CG 4.27Å; F171-F190 HydrophobicContact CE2-CB 3.89Å; F171-F190 HydrophobicContact CE2-CD1 4.06Å; F171-F190 AromaticContact CE2-CD2 3.82Å; F171-F190 HydrophobicContact CE2-CD2 3.82Å; F171-F190 HydrophobicContact CE2-CE2 4.34Å; F171-F190 AromaticContact CE2-CG 3.66Å; F171-F190 HydrophobicContact CE2-CG 3.66Å; F171-F190 HydrophobicContact CZ-CB 4.18Å; F171-F190 HydrophobicContact CZ-CG 4.43Å
172	E	92.2	Very high	90.9	Very high	61 Å²	61	56.5 Å²	56.5	29%	0.285	29%	0.289	S	S	.	.	H	α-helix	trans	-60.9	-47.6	176.5	-68.5	-62.4	152	0	0	111.4	R168 W174 M175 E176 Y187 R206	R168-E172 WeakPolarHBondContact O-CG 3.4Å; R168-E172 PolarHBondContact O-N 3.26Å; E172-W174 PolarHBondContact O-N 3.31Å; E172-W174 VanDerWaalsContact O-N 3.11Å; E172-M175 PolarHBondContact O-N 2.87Å; E172-M175 VanDerWaalsContact O-N 3.08Å; E172-E176 PolarHBondContact O-N 3.13Å; E172-E176 VanDerWaalsContact O-N 3.1Å; E172-Y187 WeakPolarHBondContact OE1-CE1 3.29Å; E172-Y187 PolarHBondContact OE1-OH 2.95Å; E172-R206 IonicContact OE1-CZ 3.52Å; E172-R206 IonicContact OE1-NH1 3.29Å; E172-R206 IonicContact OE1-NH2 2.77Å; E172-R206 PolarHBondContact OE1-NH2 2.86Å; E172-R206 IonicContact OE2-CZ 2.65Å; E172-R206 IonicContact OE2-NH1 2.75Å; E172-R206 PolarHBondContact OE2-NH1 2.89Å; E172-R206 IonicContact OE2-NH2 3.7Å; E172-R206 PolarHBondContact OE2-NH2 3.06Å
173	R	92.8	Very high	91.1	Very high	71 Å²	71	53.9 Å²	53.9	27%	0.268	26%	0.262	S	S	.	.	H	α-helix	trans	-58.5	-21.4	171.3	-78.1	176.8	66.5	-164	2.8	114.1	D138 W151 Q169	D138-R173 IonicContact OD1-CZ 3.5Å; D138-R173 VanDerWaalsContact OD1-CZ 3.24Å; D138-R173 IonicContact OD1-NH1 2.83Å; D138-R173 PolarHBondContact OD1-NH1 3.15Å; D138-R173 IonicContact OD1-NH2 2.77Å; D138-R173 PolarHBondContact OD1-NH2 2.94Å; W151-R173 HydrophobicContact CH2-CB 4.23Å; W151-R173 VanDerWaalsContact CH2-O 3.28Å; W151-R173 WeakPolarHBondContact CH2-O 3.42Å; W151-R173 HydrophobicContact CZ3-CB 4.13Å; Q169-R173 WeakPolarHBondContact O-CB 3.4Å; Q169-R173 WeakPolarHBondContact O-CG 3.01Å; Q169-R173 PolarHBondContact O-N 3.11Å; Q169-R173 VanDerWaalsContact O-N 3.08Å
174	W	93.3	Very high	91.1	Very high	1 Å²	1	51.3 Å²	51.3	0%	0.004	25%	0.248	C	C	.	.	H	α-helix	trans	-83.8	-41.2	174.8	-168.2	15.6	0	0	0	111.4	N148 W151 Y152 V170 F171 E172 E176 W177 P179 A183	N148-W174 HydrophobicContact CB-CZ2 3.88Å; W151-W174 HydrophobicContact CB-CD2 3.52Å; W151-W174 VanDerWaalsContact CB-CE2 3.5Å; W151-W174 HydrophobicContact CB-CE3 3.77Å; W151-W174 HydrophobicContact CB-CG 4.05Å; W151-W174 HydrophobicContact CB-CH2 3.98Å; W151-W174 HydrophobicContact CB-CZ2 3.75Å; W151-W174 HydrophobicContact CB-CZ3 4Å; W151-W174 AromaticContact CD1-CD1 3.65Å; W151-W174 AromaticContact CD1-CE2 3.77Å; W151-W174 AromaticContact CD1-NE1 3.34Å; W151-W174 VanDerWaalsContact CD1-NE1 3.34Å; W151-W174 HydrophobicContact CD2-CB 3.85Å; W151-W174 AromaticContact CD2-CD1 3.49Å; W151-W174 VanDerWaalsContact CD2-CD1 3.49Å; W151-W174 HydrophobicContact CD2-CD2 4.01Å; W151-W174 AromaticContact CD2-CG 3.51Å; W151-W174 HydrophobicContact CD2-CG 3.51Å; W151-W174 AromaticContact CD2-NE1 3.95Å; W151-W174 AromaticContact CE2-CD1 3.46Å; W151-W174 VanDerWaalsContact CE2-CD1 3.46Å; W151-W174 AromaticContact CE2-CG 3.93Å; W151-W174 AromaticContact CE2-NE1 4Å; W151-W174 HydrophobicContact CE3-CB 3.51Å; W151-W174 HydrophobicContact CE3-CD2 4.35Å; W151-W174 AromaticContact CE3-CG 3.72Å; W151-W174 HydrophobicContact CE3-CG 3.72Å; W151-W174 HydrophobicContact CG-CB 4.48Å; W151-W174 AromaticContact CG-CD1 3.59Å; W151-W174 AromaticContact CG-CD2 3.69Å; W151-W174 HydrophobicContact CG-CD2 3.69Å; W151-W174 AromaticContact CG-CE2 3.58Å; W151-W174 HydrophobicContact CG-CE3 4.41Å; W151-W174 AromaticContact CG-CG 3.7Å; W151-W174 HydrophobicContact CG-CG 3.7Å; W151-W174 HydrophobicContact CG-CZ2 4.23Å; W151-W174 AromaticContact CG-NE1 3.51Å; W151-W174 HydrophobicContact CH2-CB 4.14Å; W151-W174 HydrophobicContact CZ2-CB 4.45Å; W151-W174 HydrophobicContact CZ2-CG 4.46Å; W151-W174 HydrophobicContact CZ3-CB 3.66Å; W151-W174 HydrophobicContact CZ3-CG 4.26Å; W151-W174 AromaticContact NE1-CD1 3.56Å; W151-W174 AromaticContact NE1-NE1 3.63Å; Y152-W174 AromaticContact CD1-CH2 3.79Å; Y152-W174 HydrophobicContact CD1-CH2 3.79Å; Y152-W174 HydrophobicContact CD1-CZ3 4.16Å; Y152-W174 HydrophobicContact CD2-CH2 4.33Å; Y152-W174 AromaticContact CE1-CH2 3.53Å; Y152-W174 HydrophobicContact CE1-CH2 3.53Å; Y152-W174 HydrophobicContact CE1-CZ3 4.11Å; Y152-W174 HydrophobicContact CE2-CH2 4.08Å; Y152-W174 HydrophobicContact CG-CH2 4.17Å; Y152-W174 AromaticContact CZ-CH2 3.65Å; V170-W174 WeakPolarHBondContact O-CB 3.38Å; V170-W174 PolarHBondContact O-N 3.2Å; F171-W174 AromaticContact CD1-CE3 3.93Å; F171-W174 HydrophobicContact CD1-CE3 3.93Å; F171-W174 HydrophobicContact CD1-CZ3 4.35Å; F171-W174 HydrophobicContact CE1-CE3 4.08Å; F171-W174 HydrophobicContact CE1-CZ3 4.02Å; F171-W174 WeakPolarHBondContact O-CA 3.35Å; F171-W174 VanDerWaalsContact O-CB 3.32Å; F171-W174 WeakPolarHBondContact O-CB 3.31Å; F171-W174 PolarHBondContact O-N 2.91Å; E172-W174 PolarHBondContact O-N 3.31Å; E172-W174 VanDerWaalsContact O-N 3.11Å; W174-E176 PolarHBondContact O-N 3.34Å; W174-W177 PolarHBondContact O-N 3.14Å; W174-P179 HydrophobicContact CD2-CG 4.37Å; W174-P179 HydrophobicContact CG-CG 4.22Å; W174-P179 HydrophobicContact CZ2-CB 4.38Å; W174-P179 WeakPolarHBondContact O-CD 3.48Å; W174-A183 HydrophobicContact CD2-CB 4.22Å; W174-A183 HydrophobicContact CE3-CB 4.21Å; W174-A183 HydrophobicContact CH2-CB 3.34Å; W174-A183 HydrophobicContact CZ2-CB 3.33Å; W174-A183 HydrophobicContact CZ3-CB 3.8Å
175	M	90.6	Very high	91.1	Very high	10 Å²	10	50.5 Å²	50.5	5%	0.049	24%	0.242	C	C	.	.	H	α-helix	trans	-65	-28	177.6	-59.7	-48.4	129.6	0	0	112.4	F171 E172 W177 E178 P179 A183 W184 Y187	F171-M175 HydrophobicContact CD1-CE 4.14Å; F171-M175 WeakPolarHBondContact O-CG 3.38Å; F171-M175 PolarHBondContact O-N 3.27Å; E172-M175 PolarHBondContact O-N 2.87Å; E172-M175 VanDerWaalsContact O-N 3.08Å; M175-W177 PolarHBondContact O-N 3.43Å; M175-W177 VanDerWaalsContact O-N 3.1Å; M175-E178 PolarHBondContact O-N 3Å; M175-P179 HydrophobicContact CE-CG 4.14Å; M175-P179 HydrophobicContact SD-CG 3.82Å; M175-A183 HydrophobicContact CE-CB 4.48Å; M175-W184 HydrophobicContact CB-CH2 3.79Å; M175-W184 HydrophobicContact CB-CZ2 4.06Å; M175-W184 HydrophobicContact CB-CZ3 4.27Å; M175-W184 HydrophobicContact CG-CE3 4.27Å; M175-W184 HydrophobicContact CG-CH2 3.96Å; M175-W184 HydrophobicContact CG-CZ2 4.27Å; M175-W184 HydrophobicContact CG-CZ3 3.96Å; M175-W184 HydrophobicContact SD-CD2 3.44Å; M175-W184 VanDerWaalsContact SD-CE2 3.52Å; M175-W184 HydrophobicContact SD-CE3 3.62Å; M175-W184 HydrophobicContact SD-CG 4Å; M175-W184 HydrophobicContact SD-CH2 3.95Å; M175-W184 HydrophobicContact SD-CZ2 3.78Å; M175-W184 HydrophobicContact SD-CZ3 3.87Å; M175-Y187 HydrophobicContact CE-CD1 4.14Å; M175-Y187 HydrophobicContact CE-CG 4.48Å; M175-Y187 HydrophobicContact CG-CD1 4.08Å; M175-Y187 HydrophobicContact CG-CE1 4.44Å
176	E	91.1	Very high	91.1	Very high	146 Å²	146	48 Å²	48	68%	0.682	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-23.5	168.1	-73.5	172.8	176.6	0	0	114	E172 W174	E172-E176 PolarHBondContact O-N 3.13Å; E172-E176 VanDerWaalsContact O-N 3.1Å; W174-E176 PolarHBondContact O-N 3.34Å
177	W	90.1	Very high	91.3	Very high	111 Å²	111	48 Å²	48	42%	0.42	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	2.2	177.9	-71.4	90.9	0	0	0	114.2	P145 R146 W151 W174 M175	P145-W177 HydrophobicContact CB-CD2 3.67Å; P145-W177 HydrophobicContact CB-CE3 4.07Å; P145-W177 HydrophobicContact CB-CG 4.14Å; P145-W177 HydrophobicContact CB-CH2 4.24Å; P145-W177 HydrophobicContact CB-CZ2 3.86Å; P145-W177 HydrophobicContact CB-CZ3 4.33Å; P145-W177 HydrophobicContact CG-CD2 4.16Å; P145-W177 HydrophobicContact CG-CE3 4.09Å; P145-W177 HydrophobicContact CG-CH2 3.73Å; P145-W177 HydrophobicContact CG-CZ2 3.79Å; P145-W177 HydrophobicContact CG-CZ3 3.89Å; R146-W177 PolarHBondContact NH1-O 2.89Å; R146-W177 PolarHBondContact NH2-O 2.98Å; W151-W177 AromaticContact CZ2-CD1 4Å; W174-W177 PolarHBondContact O-N 3.14Å; M175-W177 PolarHBondContact O-N 3.43Å; M175-W177 VanDerWaalsContact O-N 3.1Å
178	E	88.9	Confident	91.3	Very high	120 Å²	120	48 Å²	48	56%	0.561	22%	0.217	S	C	*	.			trans	52.4	63.9	-177.1	-59	177.6	149.7	0	0	111.9	M175 V210	M175-E178 PolarHBondContact O-N 3Å; E178-V210 HydrophobicContact CB-CG1 3.71Å; E178-V210 HydrophobicContact CG-CG1 3.71Å
179	P	88.4	Confident	91.3	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.032	23%	0.228	C	C	.	.			trans	-78.1	171	-173.3	34.3	-37	0	0	0	112.4	W174 M175 A183 W184 H211	W174-P179 HydrophobicContact CD2-CG 4.37Å; W174-P179 HydrophobicContact CG-CG 4.22Å; W174-P179 HydrophobicContact CZ2-CB 4.38Å; W174-P179 WeakPolarHBondContact O-CD 3.48Å; M175-P179 HydrophobicContact CE-CG 4.14Å; M175-P179 HydrophobicContact SD-CG 3.82Å; P179-A183 HydrophobicContact CB-CB 3.63Å; P179-A183 HydrophobicContact CG-CB 3.64Å; P179-W184 VanDerWaalsContact O-CD1 3.29Å; P179-W184 PolarHBondContact O-NE1 3.03Å; P179-W184 VanDerWaalsContact O-NE1 3.07Å; P179-H211 PolarHBondContact O-NE2 3.01Å
180	E	88.1	Confident	91.3	Very high	87 Å²	87	43 Å²	43	41%	0.407	20%	0.198	S	C	.	.			trans	-52.4	156.4	-178.8	72.4	-171.6	169.7	0	0	114	N148 Y152 Q182 A183	N148-E180 PolarHBondContact ND2-OE1 3.47Å; N148-E180 PolarHBondContact ND2-OE2 3.21Å; N148-E180 VanDerWaalsContact ND2-OE2 3.1Å; Y152-E180 PolarHBondContact OH-OE1 3.4Å; E180-Q182 HydrophobicContact CG-CB 4.08Å; E180-Q182 PolarHBondContact O-N 3.35Å; E180-A183 HydrophobicContact CG-CB 4.17Å; E180-A183 VanDerWaalsContact O-CB 3.26Å; E180-A183 WeakPolarHBondContact O-CB 3.46Å; E180-A183 PolarHBondContact O-N 2.86Å
181	E	89.4	Confident	91.2	Very high	37 Å²	37	42.8 Å²	42.8	17%	0.173	20%	0.197	C	C	.	.	H	α-helix	trans	-42.9	-44.7	174.7	162.4	174.5	-139.4	0	0	113.1	A183 W184 H185 F207 K215 N216 K219	E181-A183 VanDerWaalsContact C-N 3.27Å; E181-A183 PolarHBondContact O-N 2.65Å; E181-W184 PolarHBondContact O-N 3.08Å; E181-H185 WeakPolarHBondContact CG-CD2 3.49Å; E181-H185 VanDerWaalsContact CG-NE2 3.27Å; E181-H185 WeakPolarHBondContact CG-NE2 3.28Å; E181-H185 PolarHBondContact O-CD2 2.89Å; E181-H185 PolarHBondContact O-N 3.18Å; E181-H185 IonicContact OE1-CD2 2.64Å; E181-H185 IonicContact OE1-CE1 2.75Å; E181-H185 IonicContact OE1-NE2 2.92Å; E181-H185 PolarHBondContact OE1-NE2 3.24Å; E181-F207 HydrophobicContact CB-CE2 4.41Å; E181-F207 HydrophobicContact CB-CZ 4.21Å; E181-F207 HydrophobicContact CG-CZ 3.95Å; E181-K215 IonicContact OE1-NZ 2.81Å; E181-K215 WeakPolarHBondContact OE2-CE 3.43Å; E181-K215 IonicContact OE2-NZ 2.69Å; E181-K215 PolarHBondContact OE2-NZ 3.2Å; E181-N216 PolarHBondContact OE1-OD1 3.44Å; E181-K219 WeakPolarHBondContact OE1-CD 3.47Å; E181-K219 WeakPolarHBondContact OE1-CE 3.05Å; E181-K219 IonicContact OE1-NZ 3.68Å; E181-K219 PolarHBondContact OE1-NZ 3.02Å; E181-K219 IonicContact OE2-NZ 3.36Å
182	Q	90.2	Very high	91.1	Very high	109 Å²	109	44.8 Å²	44.8	51%	0.509	21%	0.208	S	C	.	.	H	α-helix	trans	-66.5	-27.2	-176.3	-171.9	60.7	21.8	0	0	113.3	Y152 E180 S186	Y152-Q182 WeakPolarHBondContact OH-CG 3.21Å; E180-Q182 HydrophobicContact CG-CB 4.08Å; E180-Q182 PolarHBondContact O-N 3.35Å; Q182-S186 WeakPolarHBondContact O-CB 3.48Å; Q182-S186 PolarHBondContact O-N 3.33Å
183	A	91.5	Very high	91	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.6	-48	174.2	0	0	0	0	0	110.9	Y152 W174 M175 P179 E180 E181 S186 Y187	Y152-A183 PolarHBondContact OH-N 3.06Å; W174-A183 HydrophobicContact CD2-CB 4.22Å; W174-A183 HydrophobicContact CE3-CB 4.21Å; W174-A183 HydrophobicContact CH2-CB 3.34Å; W174-A183 HydrophobicContact CZ2-CB 3.33Å; W174-A183 HydrophobicContact CZ3-CB 3.8Å; M175-A183 HydrophobicContact CE-CB 4.48Å; P179-A183 HydrophobicContact CB-CB 3.63Å; P179-A183 HydrophobicContact CG-CB 3.64Å; E180-A183 HydrophobicContact CG-CB 4.17Å; E180-A183 VanDerWaalsContact O-CB 3.26Å; E180-A183 WeakPolarHBondContact O-CB 3.46Å; E180-A183 PolarHBondContact O-N 2.86Å; E181-A183 VanDerWaalsContact C-N 3.27Å; E181-A183 PolarHBondContact O-N 2.65Å; A183-S186 WeakPolarHBondContact O-CB 3.33Å; A183-S186 PolarHBondContact O-N 3.14Å; A183-S186 VanDerWaalsContact O-N 3.07Å; A183-S186 PolarHBondContact O-OG 3.32Å; A183-Y187 PolarHBondContact O-N 3.06Å; A183-Y187 VanDerWaalsContact O-N 3.08Å
184	W	92.3	Very high	90.8	Very high	4 Å²	4	49 Å²	49	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-47.4	175.7	-67.7	90.3	0	0	0	111.5	M175 P179 E181 S186 Y187 I188 I203 R206 F207 V210 H211	M175-W184 HydrophobicContact CB-CH2 3.79Å; M175-W184 HydrophobicContact CB-CZ2 4.06Å; M175-W184 HydrophobicContact CB-CZ3 4.27Å; M175-W184 HydrophobicContact CG-CE3 4.27Å; M175-W184 HydrophobicContact CG-CH2 3.96Å; M175-W184 HydrophobicContact CG-CZ2 4.27Å; M175-W184 HydrophobicContact CG-CZ3 3.96Å; M175-W184 HydrophobicContact SD-CD2 3.44Å; M175-W184 VanDerWaalsContact SD-CE2 3.52Å; M175-W184 HydrophobicContact SD-CE3 3.62Å; M175-W184 HydrophobicContact SD-CG 4Å; M175-W184 HydrophobicContact SD-CH2 3.95Å; M175-W184 HydrophobicContact SD-CZ2 3.78Å; M175-W184 HydrophobicContact SD-CZ3 3.87Å; P179-W184 VanDerWaalsContact O-CD1 3.29Å; P179-W184 PolarHBondContact O-NE1 3.03Å; P179-W184 VanDerWaalsContact O-NE1 3.07Å; E181-W184 PolarHBondContact O-N 3.08Å; W184-S186 VanDerWaalsContact C-N 3.25Å; W184-S186 PolarHBondContact O-N 3.42Å; W184-Y187 PolarHBondContact O-N 2.81Å; W184-Y187 VanDerWaalsContact O-N 3.17Å; W184-I188 WeakPolarHBondContact O-CD1 3.44Å; W184-I188 VanDerWaalsContact O-CG1 3.32Å; W184-I188 WeakPolarHBondContact O-CG1 3.07Å; W184-I188 PolarHBondContact O-N 2.78Å; W184-I203 HydrophobicContact CE3-CG2 3.82Å; W184-I203 HydrophobicContact CZ3-CG2 4.21Å; W184-R206 HydrophobicContact CH2-CB 4.07Å; W184-R206 HydrophobicContact CZ3-CB 3.82Å; W184-F207 HydrophobicContact CB-CB 4.42Å; W184-F207 HydrophobicContact CB-CD2 3.47Å; W184-F207 VanDerWaalsContact CB-CD2 3.47Å; W184-F207 HydrophobicContact CB-CE2 3.8Å; W184-F207 HydrophobicContact CB-CG 3.89Å; W184-F207 HydrophobicContact CB-CZ 4.46Å; W184-F207 AromaticContact CD1-CD2 3.62Å; W184-F207 AromaticContact CD1-CE2 3.86Å; W184-F207 HydrophobicContact CD2-CB 4.02Å; W184-F207 AromaticContact CD2-CD2 3.68Å; W184-F207 HydrophobicContact CD2-CD2 3.68Å; W184-F207 HydrophobicContact CD2-CG 4.2Å; W184-F207 HydrophobicContact CE3-CB 3.7Å; W184-F207 HydrophobicContact CE3-CD2 4.27Å; W184-F207 HydrophobicContact CE3-CG 4.35Å; W184-F207 HydrophobicContact CG-CB 4.34Å; W184-F207 AromaticContact CG-CD2 3.28Å; W184-F207 HydrophobicContact CG-CD2 3.28Å; W184-F207 AromaticContact CG-CE2 3.82Å; W184-F207 HydrophobicContact CG-CE2 3.82Å; W184-F207 HydrophobicContact CG-CG 4.01Å; W184-F207 HydrophobicContact CZ3-CB 4.31Å; W184-V210 HydrophobicContact CH2-CG2 4.16Å; W184-V210 HydrophobicContact CZ2-CB 4.06Å; W184-V210 HydrophobicContact CZ2-CG1 4Å; W184-V210 HydrophobicContact CZ2-CG2 4Å; W184-H211 AromaticContact CD1-CD2 3.86Å; W184-H211 AromaticContact NE1-CD2 3.6Å; W184-H211 AromaticContact NE1-NE2 3.68Å
185	H	91.1	Very high	90.5	Very high	16 Å²	16	57.5 Å²	57.5	7%	0.074	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-33.1	173.7	-69.2	-51.1	0	0	0	112.5	E181 N189 F207 K219	E181-H185 WeakPolarHBondContact CG-CD2 3.49Å; E181-H185 VanDerWaalsContact CG-NE2 3.27Å; E181-H185 WeakPolarHBondContact CG-NE2 3.28Å; E181-H185 PolarHBondContact O-CD2 2.89Å; E181-H185 PolarHBondContact O-N 3.18Å; E181-H185 IonicContact OE1-CD2 2.64Å; E181-H185 IonicContact OE1-CE1 2.75Å; E181-H185 IonicContact OE1-NE2 2.92Å; E181-H185 PolarHBondContact OE1-NE2 3.24Å; H185-N189 VanDerWaalsContact O-CB 3.26Å; H185-N189 WeakPolarHBondContact O-CB 3.45Å; H185-N189 VanDerWaalsContact O-CG 3.28Å; H185-N189 PolarHBondContact O-N 2.71Å; H185-N189 PolarHBondContact O-ND2 3.16Å; H185-F207 AromaticContact CE1-CE1 3.76Å; H185-F207 AromaticContact NE2-CE1 3.91Å; H185-F207 AromaticContact NE2-CZ 3.97Å; H185-K219 WeakPolarHBondContact NE2-CD 3.32Å; H185-K219 PolarHBondContact NE2-NZ 3.45Å
186	S	91.5	Very high	90.5	Very high	21 Å²	21	59.9 Å²	59.9	15%	0.147	27%	0.27	C	S	.	.	H	α-helix	trans	-67.7	-36.3	176.6	80.2	0	0	0	0	112.9	Q182 A183 W184 F190	Q182-S186 WeakPolarHBondContact O-CB 3.48Å; Q182-S186 PolarHBondContact O-N 3.33Å; A183-S186 WeakPolarHBondContact O-CB 3.33Å; A183-S186 PolarHBondContact O-N 3.14Å; A183-S186 VanDerWaalsContact O-N 3.07Å; A183-S186 PolarHBondContact O-OG 3.32Å; W184-S186 VanDerWaalsContact C-N 3.25Å; W184-S186 PolarHBondContact O-N 3.42Å; S186-F190 WeakPolarHBondContact O-CB 3.5Å; S186-F190 PolarHBondContact O-N 3.25Å
187	Y	93.2	Very high	90.4	Very high	10 Å²	10	54.1 Å²	54.1	4%	0.039	25%	0.245	C	C	.	.	H	α-helix	trans	-73.3	-42.5	175.8	-174.1	-159.2	0	0	0	111.8	F171 E172 M175 A183 W184 N189 F190 E191 I203	F171-Y187 HydrophobicContact CB-CD1 3.95Å; F171-Y187 HydrophobicContact CB-CD2 3.61Å; F171-Y187 HydrophobicContact CB-CE1 4.02Å; F171-Y187 HydrophobicContact CB-CE2 3.72Å; F171-Y187 HydrophobicContact CB-CG 3.77Å; F171-Y187 HydrophobicContact CD1-CD1 4.46Å; F171-Y187 AromaticContact CD1-CD2 3.92Å; F171-Y187 HydrophobicContact CD1-CD2 3.92Å; F171-Y187 AromaticContact CD1-CG 3.73Å; F171-Y187 HydrophobicContact CD1-CG 3.73Å; F171-Y187 AromaticContact CD2-CD2 3.64Å; F171-Y187 HydrophobicContact CD2-CD2 3.64Å; F171-Y187 HydrophobicContact CD2-CE2 4.1Å; F171-Y187 HydrophobicContact CD2-CG 4.31Å; F171-Y187 HydrophobicContact CE1-CD2 4.47Å; F171-Y187 HydrophobicContact CE1-CG 4.36Å; F171-Y187 HydrophobicContact CE2-CD2 4.22Å; F171-Y187 HydrophobicContact CG-CD1 4.38Å; F171-Y187 AromaticContact CG-CD2 3.46Å; F171-Y187 HydrophobicContact CG-CD2 3.46Å; F171-Y187 VanDerWaalsContact CG-CD2 3.46Å; F171-Y187 HydrophobicContact CG-CE2 4.02Å; F171-Y187 AromaticContact CG-CG 3.7Å; F171-Y187 HydrophobicContact CG-CG 3.7Å; E172-Y187 WeakPolarHBondContact OE1-CE1 3.29Å; E172-Y187 PolarHBondContact OE1-OH 2.95Å; M175-Y187 HydrophobicContact CE-CD1 4.14Å; M175-Y187 HydrophobicContact CE-CG 4.48Å; M175-Y187 HydrophobicContact CG-CD1 4.08Å; M175-Y187 HydrophobicContact CG-CE1 4.44Å; A183-Y187 PolarHBondContact O-N 3.06Å; A183-Y187 VanDerWaalsContact O-N 3.08Å; W184-Y187 PolarHBondContact O-N 2.81Å; W184-Y187 VanDerWaalsContact O-N 3.17Å; Y187-N189 PolarHBondContact O-N 3Å; Y187-F190 AromaticContact CD2-CD1 3.99Å; Y187-F190 HydrophobicContact CD2-CD1 3.99Å; Y187-F190 HydrophobicContact CE2-CD1 4.09Å; Y187-F190 HydrophobicContact CE2-CE1 4.45Å; Y187-F190 WeakPolarHBondContact O-CA 3.44Å; Y187-F190 WeakPolarHBondContact O-CB 3.48Å; Y187-F190 PolarHBondContact O-N 3.45Å; Y187-E191 HydrophobicContact CD2-CG 4.33Å; Y187-E191 HydrophobicContact CE2-CG 3.94Å; Y187-E191 WeakPolarHBondContact CE2-OE1 3.16Å; Y187-E191 PolarHBondContact O-N 3.44Å; Y187-I203 HydrophobicContact CD1-CD1 3.65Å; Y187-I203 HydrophobicContact CD1-CG1 3.96Å; Y187-I203 HydrophobicContact CD1-CG2 3.96Å; Y187-I203 HydrophobicContact CD2-CD1 4.01Å; Y187-I203 HydrophobicContact CE1-CD1 3.46Å; Y187-I203 VanDerWaalsContact CE1-CD1 3.46Å; Y187-I203 HydrophobicContact CE1-CG1 3.68Å; Y187-I203 HydrophobicContact CE1-CG2 4.46Å; Y187-I203 HydrophobicContact CE2-CD1 3.81Å; Y187-I203 HydrophobicContact CG-CD1 3.92Å
188	I	91.7	Very high	90.3	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-56.5	-50.2	171.6	-69.1	160.1	0	0	0	110	W184 F190 E191 L192 A200 I203 Y204	W184-I188 WeakPolarHBondContact O-CD1 3.44Å; W184-I188 VanDerWaalsContact O-CG1 3.32Å; W184-I188 WeakPolarHBondContact O-CG1 3.07Å; W184-I188 PolarHBondContact O-N 2.78Å; I188-F190 PolarHBondContact O-N 2.99Å; I188-E191 PolarHBondContact O-N 3.02Å; I188-L192 HydrophobicContact CG2-CD1 3.87Å; I188-L192 HydrophobicContact CG2-CG 4.42Å; I188-L192 VanDerWaalsContact O-CG 3.28Å; I188-L192 WeakPolarHBondContact O-CG 3.46Å; I188-L192 PolarHBondContact O-N 3.23Å; I188-A200 HydrophobicContact CG2-CB 4.48Å; I188-I203 HydrophobicContact CD1-CG2 4.15Å; I188-I203 HydrophobicContact CG1-CB 4.09Å; I188-I203 HydrophobicContact CG1-CG2 3.6Å; I188-Y204 HydrophobicContact CD1-CD1 3.91Å; I188-Y204 HydrophobicContact CD1-CD2 4.05Å; I188-Y204 HydrophobicContact CD1-CE1 3.75Å; I188-Y204 HydrophobicContact CD1-CE2 3.89Å; I188-Y204 HydrophobicContact CD1-CG 4.05Å; I188-Y204 HydrophobicContact CG1-CD2 4.37Å; I188-Y204 HydrophobicContact CG1-CE2 4.26Å; I188-Y204 HydrophobicContact CG2-CD2 4.31Å; I188-Y204 HydrophobicContact CG2-CE2 3.54Å
189	N	92.4	Very high	90.3	Very high	85 Å²	85	52 Å²	52	46%	0.455	24%	0.242	S	C	.	.	H	α-helix	trans	-62.9	-25.6	176.9	-77.9	-57.5	0	0	0	113.2	H185 Y187 R193	H185-N189 VanDerWaalsContact O-CB 3.26Å; H185-N189 WeakPolarHBondContact O-CB 3.45Å; H185-N189 VanDerWaalsContact O-CG 3.28Å; H185-N189 PolarHBondContact O-N 2.71Å; H185-N189 PolarHBondContact O-ND2 3.16Å; Y187-N189 PolarHBondContact O-N 3Å; N189-R193 WeakPolarHBondContact O-CG 3.48Å; N189-R193 PolarHBondContact O-N 2.57Å; N189-R193 PolarHBondContact O-NH1 3.38Å
190	F	93	Very high	90.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-70.8	-51.4	172.7	165	-86	0	0	0	111.2	E159 V164 C167 R168 F171 S186 Y187 I188 L192 R193 Y194	E159-F190 HydrophobicContact CG-CE2 4.38Å; V164-F190 HydrophobicContact CG1-CE1 4.44Å; V164-F190 HydrophobicContact CG1-CZ 3.8Å; C167-F190 HydrophobicContact CB-CE2 3.89Å; C167-F190 HydrophobicContact CB-CZ 3.9Å; C167-F190 WeakPolarHBondContact SG-CE2 3.32Å; R168-F190 HydrophobicContact CG-CE1 3.64Å; R168-F190 HydrophobicContact CG-CZ 4.12Å; F171-F190 HydrophobicContact CD2-CD1 4.2Å; F171-F190 HydrophobicContact CD2-CE1 4.47Å; F171-F190 HydrophobicContact CD2-CG 4.27Å; F171-F190 HydrophobicContact CE2-CB 3.89Å; F171-F190 HydrophobicContact CE2-CD1 4.06Å; F171-F190 AromaticContact CE2-CD2 3.82Å; F171-F190 HydrophobicContact CE2-CD2 3.82Å; F171-F190 HydrophobicContact CE2-CE2 4.34Å; F171-F190 AromaticContact CE2-CG 3.66Å; F171-F190 HydrophobicContact CE2-CG 3.66Å; F171-F190 HydrophobicContact CZ-CB 4.18Å; F171-F190 HydrophobicContact CZ-CG 4.43Å; S186-F190 WeakPolarHBondContact O-CB 3.5Å; S186-F190 PolarHBondContact O-N 3.25Å; Y187-F190 AromaticContact CD2-CD1 3.99Å; Y187-F190 HydrophobicContact CD2-CD1 3.99Å; Y187-F190 HydrophobicContact CE2-CD1 4.09Å; Y187-F190 HydrophobicContact CE2-CE1 4.45Å; Y187-F190 WeakPolarHBondContact O-CA 3.44Å; Y187-F190 WeakPolarHBondContact O-CB 3.48Å; Y187-F190 PolarHBondContact O-N 3.45Å; I188-F190 PolarHBondContact O-N 2.99Å; F190-L192 PolarHBondContact O-N 3.29Å; F190-R193 WeakPolarHBondContact O-CB 3.38Å; F190-R193 PolarHBondContact O-N 3.36Å; F190-Y194 AromaticContact CD2-CE2 3.94Å; F190-Y194 HydrophobicContact CD2-CE2 3.94Å; F190-Y194 HydrophobicContact CE1-CD2 4.32Å; F190-Y194 HydrophobicContact CE1-CE2 4.33Å; F190-Y194 HydrophobicContact CE2-CD2 4.29Å; F190-Y194 AromaticContact CE2-CE2 3.55Å; F190-Y194 HydrophobicContact CE2-CE2 3.55Å; F190-Y194 HydrophobicContact CZ-CD2 4.19Å; F190-Y194 AromaticContact CZ-CE2 3.77Å; F190-Y194 HydrophobicContact CZ-CE2 3.77Å; F190-Y194 VanDerWaalsContact O-CD2 3.3Å; F190-Y194 WeakPolarHBondContact O-CD2 3.31Å; F190-Y194 PolarHBondContact O-N 3.03Å
191	E	91.4	Very high	90.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-34.2	176.5	-68.1	-58.4	154.4	0	0	112.1	R168 Y187 I188 R193 Y194 K195 E196 K199 A200 I203	R168-E191 WeakPolarHBondContact CG-OE1 3.3Å; R168-E191 IonicContact CZ-OE1 3.63Å; R168-E191 IonicContact CZ-OE2 2.66Å; R168-E191 IonicContact NE-OE1 3.8Å; R168-E191 PolarHBondContact NE-OE1 2.64Å; R168-E191 IonicContact NE-OE2 3.69Å; R168-E191 PolarHBondContact NE-OE2 3.28Å; R168-E191 IonicContact NH2-OE1 3.7Å; R168-E191 IonicContact NH2-OE2 3.87Å; R168-E191 PolarHBondContact NH2-OE2 3.26Å; Y187-E191 HydrophobicContact CD2-CG 4.33Å; Y187-E191 HydrophobicContact CE2-CG 3.94Å; Y187-E191 WeakPolarHBondContact CE2-OE1 3.16Å; Y187-E191 PolarHBondContact O-N 3.44Å; I188-E191 PolarHBondContact O-N 3.02Å; E191-R193 PolarHBondContact O-N 2.8Å; E191-Y194 CarbonylContact O-C 3.58Å; E191-Y194 WeakPolarHBondContact O-CA 3.5Å; E191-Y194 PolarHBondContact O-N 2.87Å; E191-Y194 VanDerWaalsContact O-N 3.11Å; E191-K195 PolarHBondContact O-N 3.47Å; E191-E196 HydrophobicContact CB-CB 4.19Å; E191-E196 PolarHBondContact O-N 3Å; E191-E196 VanDerWaalsContact OE2-CB 3.27Å; E191-E196 WeakPolarHBondContact OE2-CB 3.32Å; E191-K199 HydrophobicContact CG-CB 4.23Å; E191-A200 HydrophobicContact CB-CB 4.31Å; E191-I203 HydrophobicContact CB-CD1 4.49Å; E191-I203 HydrophobicContact CG-CD1 3.64Å
192	L	89.9	Confident	90.4	Very high	46 Å²	46	51 Å²	51	24%	0.241	24%	0.242	C	C	.	.	H	α-helix	trans	-69.9	-27.5	175	-63.9	176.2	0	0	0	113.9	I188 F190 Y194 K195 V197 A200 F223	I188-L192 HydrophobicContact CG2-CD1 3.87Å; I188-L192 HydrophobicContact CG2-CG 4.42Å; I188-L192 VanDerWaalsContact O-CG 3.28Å; I188-L192 WeakPolarHBondContact O-CG 3.46Å; I188-L192 PolarHBondContact O-N 3.23Å; F190-L192 PolarHBondContact O-N 3.29Å; L192-Y194 PolarHBondContact O-N 3.26Å; L192-K195 PolarHBondContact O-N 2.66Å; L192-K195 VanDerWaalsContact O-N 3.15Å; L192-V197 HydrophobicContact CD2-CG2 4.41Å; L192-A200 HydrophobicContact CD2-CB 3.82Å; L192-A200 HydrophobicContact CG-CB 4.14Å; L192-F223 HydrophobicContact CD1-CD2 4.26Å; L192-F223 HydrophobicContact CD1-CE2 3.76Å; L192-F223 HydrophobicContact CD2-CE2 3.67Å; L192-F223 HydrophobicContact CD2-CZ 4.11Å; L192-F223 HydrophobicContact CG-CE2 4.29Å
193	R	90.6	Very high	90.4	Very high	131 Å²	131	45.9 Å²	45.9	49%	0.494	22%	0.218	S	C	.	.	H	α-helix	trans	-62.7	-33.2	168.1	-76.4	-171.1	-61.6	-80	19.7	111.6	E159 N189 F190 E191	E159-R193 IonicContact OE1-CZ 3.6Å; E159-R193 VanDerWaalsContact OE1-CZ 3.24Å; E159-R193 IonicContact OE1-NE 3.35Å; E159-R193 PolarHBondContact OE1-NE 3.42Å; E159-R193 IonicContact OE1-NH2 3.53Å; E159-R193 PolarHBondContact OE1-NH2 3.38Å; E159-R193 IonicContact OE2-CZ 2.79Å; E159-R193 IonicContact OE2-NH2 3.48Å; E159-R193 PolarHBondContact OE2-NH2 3.48Å; N189-R193 WeakPolarHBondContact O-CG 3.48Å; N189-R193 PolarHBondContact O-N 2.57Å; N189-R193 PolarHBondContact O-NH1 3.38Å; F190-R193 WeakPolarHBondContact O-CB 3.38Å; F190-R193 PolarHBondContact O-N 3.36Å; E191-R193 PolarHBondContact O-N 2.8Å
194	Y	88.4	Confident	90.4	Very high	88 Å²	88	46.7 Å²	46.7	35%	0.345	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	4.1	175.2	-63.7	-73.6	0	0	0	114.3	V164 F190 E191 L192 E196	V164-Y194 HydrophobicContact CG1-CD2 4.2Å; V164-Y194 HydrophobicContact CG1-CE1 4.37Å; V164-Y194 HydrophobicContact CG1-CE2 3.98Å; V164-Y194 HydrophobicContact CG2-CE1 3.83Å; V164-Y194 HydrophobicContact CG2-CE2 4.43Å; F190-Y194 AromaticContact CD2-CE2 3.94Å; F190-Y194 HydrophobicContact CD2-CE2 3.94Å; F190-Y194 HydrophobicContact CE1-CD2 4.32Å; F190-Y194 HydrophobicContact CE1-CE2 4.33Å; F190-Y194 HydrophobicContact CE2-CD2 4.29Å; F190-Y194 AromaticContact CE2-CE2 3.55Å; F190-Y194 HydrophobicContact CE2-CE2 3.55Å; F190-Y194 HydrophobicContact CZ-CD2 4.19Å; F190-Y194 AromaticContact CZ-CE2 3.77Å; F190-Y194 HydrophobicContact CZ-CE2 3.77Å; F190-Y194 VanDerWaalsContact O-CD2 3.3Å; F190-Y194 WeakPolarHBondContact O-CD2 3.31Å; F190-Y194 PolarHBondContact O-N 3.03Å; E191-Y194 CarbonylContact O-C 3.58Å; E191-Y194 WeakPolarHBondContact O-CA 3.5Å; E191-Y194 PolarHBondContact O-N 2.87Å; E191-Y194 VanDerWaalsContact O-N 3.11Å; L192-Y194 PolarHBondContact O-N 3.26Å; Y194-E196 VanDerWaalsContact C-N 3.26Å; Y194-E196 PolarHBondContact O-N 3.4Å
195	K	86.9	Confident	90.2	Very high	181 Å²	181	49.2 Å²	49.2	79%	0.787	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	24.1	-178.1	-53	-177.9	179.6	-179.4	0	115	E191 L192 V197	E191-K195 PolarHBondContact O-N 3.47Å; L192-K195 PolarHBondContact O-N 2.66Å; L192-K195 VanDerWaalsContact O-N 3.15Å; K195-V197 VanDerWaalsContact C-N 3.28Å; K195-V197 PolarHBondContact O-N 2.69Å
196	E	90.6	Very high	90.1	Very high	59 Å²	59	52.8 Å²	52.8	28%	0.276	25%	0.246	S	C	.	.			trans	-87.1	63	-174.3	-70.5	-101.3	-129.2	0	0	111.3	R168 E191 Y194 D198 K199 A200	R168-E196 IonicContact CZ-OE1 2.73Å; R168-E196 IonicContact NH1-OE1 3.54Å; R168-E196 IonicContact NH2-OE1 2.65Å; R168-E196 PolarHBondContact NH2-OE1 2.97Å; E191-E196 HydrophobicContact CB-CB 4.19Å; E191-E196 PolarHBondContact O-N 3Å; E191-E196 VanDerWaalsContact OE2-CB 3.27Å; E191-E196 WeakPolarHBondContact OE2-CB 3.32Å; Y194-E196 VanDerWaalsContact C-N 3.26Å; Y194-E196 PolarHBondContact O-N 3.4Å; E196-D198 VanDerWaalsContact C-N 3.33Å; E196-D198 PolarHBondContact O-N 3.14Å; E196-K199 HydrophobicContact CB-CB 4.19Å; E196-K199 HydrophobicContact CB-CD 4.23Å; E196-K199 HydrophobicContact CB-CG 4.29Å; E196-K199 WeakPolarHBondContact O-CB 3.27Å; E196-K199 PolarHBondContact O-N 3.42Å; E196-K199 VanDerWaalsContact O-N 3.09Å; E196-K199 IonicContact OE1-NZ 3.54Å; E196-K199 PolarHBondContact OE1-NZ 2.91Å; E196-K199 IonicContact OE2-NZ 3.12Å; E196-K199 PolarHBondContact OE2-NZ 2.9Å; E196-A200 PolarHBondContact O-N 2.87Å
197	V	89	Confident	90.2	Very high	26 Å²	26	51.8 Å²	51.8	16%	0.158	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-39.6	-169.5	-178.8	0	0	0	0	112.8	L192 K195 K199 A200 R201 F223 Y229	L192-V197 HydrophobicContact CD2-CG2 4.41Å; K195-V197 VanDerWaalsContact C-N 3.28Å; K195-V197 PolarHBondContact O-N 2.69Å; V197-K199 VanDerWaalsContact C-N 3.35Å; V197-K199 PolarHBondContact O-N 3.08Å; V197-A200 WeakPolarHBondContact O-CB 3.34Å; V197-A200 PolarHBondContact O-N 3.21Å; V197-R201 PolarHBondContact O-N 3.11Å; V197-F223 HydrophobicContact CG1-CZ 4Å; V197-Y229 HydrophobicContact CG1-CE2 4.19Å
198	D	88.3	Confident	89.9	Confident	102 Å²	102	51.3 Å²	51.3	55%	0.545	24%	0.238	S	C	.	.	H	α-helix	trans	-71.8	-29.9	-179.9	-56.9	-50.9	0	0	0	112.4	E196 R201 S202	E196-D198 VanDerWaalsContact C-N 3.33Å; E196-D198 PolarHBondContact O-N 3.14Å; D198-R201 IonicContact OD1-CZ 3.39Å; D198-R201 IonicContact OD1-NH1 3.64Å; D198-R201 PolarHBondContact OD1-NH1 2.87Å; D198-S202 WeakPolarHBondContact O-CB 3.28Å; D198-S202 PolarHBondContact O-N 2.91Å; D198-S202 PolarHBondContact O-OG 3.11Å
199	K	88	Confident	89.6	Confident	85 Å²	85	56.3 Å²	56.3	37%	0.37	26%	0.262	S	S	.	.	H	α-helix	trans	-69.6	-44	169.8	-61.2	-168.8	175.7	80.4	0	110.7	E191 E196 V197 R201 S202 I203	E191-K199 HydrophobicContact CG-CB 4.23Å; E196-K199 HydrophobicContact CB-CB 4.19Å; E196-K199 HydrophobicContact CB-CD 4.23Å; E196-K199 HydrophobicContact CB-CG 4.29Å; E196-K199 WeakPolarHBondContact O-CB 3.27Å; E196-K199 PolarHBondContact O-N 3.42Å; E196-K199 VanDerWaalsContact O-N 3.09Å; E196-K199 IonicContact OE1-NZ 3.54Å; E196-K199 PolarHBondContact OE1-NZ 2.91Å; E196-K199 IonicContact OE2-NZ 3.12Å; E196-K199 PolarHBondContact OE2-NZ 2.9Å; V197-K199 VanDerWaalsContact C-N 3.35Å; V197-K199 PolarHBondContact O-N 3.08Å; K199-R201 VanDerWaalsContact C-N 3.3Å; K199-R201 PolarHBondContact O-N 3.36Å; K199-S202 CarbonylContact O-C 3.56Å; K199-S202 WeakPolarHBondContact O-CA 3.41Å; K199-S202 WeakPolarHBondContact O-CB 3.41Å; K199-S202 PolarHBondContact O-N 3.44Å; K199-I203 VanDerWaalsContact O-CG1 3.31Å; K199-I203 WeakPolarHBondContact O-CG1 3.44Å; K199-I203 PolarHBondContact O-N 3.3Å
200	A	89.4	Confident	89.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.4	-41.8	173.1	0	0	0	0	0	112.1	I188 E191 L192 E196 V197 I203 Y204 F223	I188-A200 HydrophobicContact CG2-CB 4.48Å; E191-A200 HydrophobicContact CB-CB 4.31Å; L192-A200 HydrophobicContact CD2-CB 3.82Å; L192-A200 HydrophobicContact CG-CB 4.14Å; E196-A200 PolarHBondContact O-N 2.87Å; V197-A200 WeakPolarHBondContact O-CB 3.34Å; V197-A200 PolarHBondContact O-N 3.21Å; A200-I203 PolarHBondContact O-N 3Å; A200-Y204 WeakPolarHBondContact O-CD2 3.37Å; A200-Y204 PolarHBondContact O-N 3.1Å; A200-F223 HydrophobicContact CB-CE2 4.46Å; A200-F223 HydrophobicContact CB-CZ 3.9Å
201	R	89.3	Confident	89	Confident	38 Å²	38	56.6 Å²	56.6	14%	0.143	26%	0.263	C	S	.	.	H	α-helix	trans	-60	-45.6	171.3	-170.9	179.7	-63.3	114.1	3.3	111.9	V197 D198 K199 I203 Y204 E205 Y220 E224 Y229	V197-R201 PolarHBondContact O-N 3.11Å; D198-R201 IonicContact OD1-CZ 3.39Å; D198-R201 IonicContact OD1-NH1 3.64Å; D198-R201 PolarHBondContact OD1-NH1 2.87Å; K199-R201 VanDerWaalsContact C-N 3.3Å; K199-R201 PolarHBondContact O-N 3.36Å; R201-I203 PolarHBondContact O-N 2.97Å; R201-Y204 WeakPolarHBondContact O-CB 3.19Å; R201-Y204 PolarHBondContact O-N 3.35Å; R201-Y204 VanDerWaalsContact O-N 3.09Å; R201-E205 WeakPolarHBondContact O-CG 3.32Å; R201-E205 PolarHBondContact O-N 3.25Å; R201-Y220 HydrophobicContact CG-CE2 4.12Å; R201-Y220 VanDerWaalsContact CG-OH 3.24Å; R201-Y220 WeakPolarHBondContact CG-OH 3.44Å; R201-E224 IonicContact CZ-OE1 3.82Å; R201-E224 IonicContact CZ-OE2 2.66Å; R201-E224 IonicContact NE-OE1 3.35Å; R201-E224 PolarHBondContact NE-OE1 3.48Å; R201-E224 IonicContact NE-OE2 2.76Å; R201-E224 PolarHBondContact NE-OE2 3.13Å; R201-E224 IonicContact NH2-OE1 3.84Å; R201-E224 PolarHBondContact NH2-OE1 2.88Å; R201-E224 IonicContact NH2-OE2 3.66Å; R201-E224 PolarHBondContact NH2-OE2 3.25Å; R201-Y229 VanDerWaalsContact NH2-CD2 3.26Å
202	S	90.3	Very high	88.7	Confident	69 Å²	69	59.3 Å²	59.3	48%	0.483	28%	0.281	S	S	.	.	H	α-helix	trans	-65.3	-22.8	177.8	-53.6	0	0	0	0	113.2	D198 K199 R206	D198-S202 WeakPolarHBondContact O-CB 3.28Å; D198-S202 PolarHBondContact O-N 2.91Å; D198-S202 PolarHBondContact O-OG 3.11Å; K199-S202 CarbonylContact O-C 3.56Å; K199-S202 WeakPolarHBondContact O-CA 3.41Å; K199-S202 WeakPolarHBondContact O-CB 3.41Å; K199-S202 PolarHBondContact O-N 3.44Å; S202-R206 PolarHBondContact O-NE 3.49Å
203	I	90.4	Very high	88.5	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-80.4	-42	170.6	-62	158	0	0	0	110.3	W184 Y187 I188 E191 K199 A200 R201 E205 R206 F207	W184-I203 HydrophobicContact CE3-CG2 3.82Å; W184-I203 HydrophobicContact CZ3-CG2 4.21Å; Y187-I203 HydrophobicContact CD1-CD1 3.65Å; Y187-I203 HydrophobicContact CD1-CG1 3.96Å; Y187-I203 HydrophobicContact CD1-CG2 3.96Å; Y187-I203 HydrophobicContact CD2-CD1 4.01Å; Y187-I203 HydrophobicContact CE1-CD1 3.46Å; Y187-I203 VanDerWaalsContact CE1-CD1 3.46Å; Y187-I203 HydrophobicContact CE1-CG1 3.68Å; Y187-I203 HydrophobicContact CE1-CG2 4.46Å; Y187-I203 HydrophobicContact CE2-CD1 3.81Å; Y187-I203 HydrophobicContact CG-CD1 3.92Å; I188-I203 HydrophobicContact CD1-CG2 4.15Å; I188-I203 HydrophobicContact CG1-CB 4.09Å; I188-I203 HydrophobicContact CG1-CG2 3.6Å; E191-I203 HydrophobicContact CB-CD1 4.49Å; E191-I203 HydrophobicContact CG-CD1 3.64Å; K199-I203 VanDerWaalsContact O-CG1 3.31Å; K199-I203 WeakPolarHBondContact O-CG1 3.44Å; K199-I203 PolarHBondContact O-N 3.3Å; A200-I203 PolarHBondContact O-N 3Å; R201-I203 PolarHBondContact O-N 2.97Å; I203-E205 PolarHBondContact O-N 3.01Å; I203-R206 PolarHBondContact O-N 2.77Å; I203-F207 VanDerWaalsContact O-CB 3.31Å; I203-F207 WeakPolarHBondContact O-CB 3.47Å; I203-F207 PolarHBondContact O-N 3.45Å
204	Y	90	Very high	88.2	Confident	17 Å²	17	55.7 Å²	55.7	7%	0.067	27%	0.269	C	S	.	.	H	α-helix	trans	-59.3	-42.5	172.9	-89.5	-67.6	0	0	0	112.9	I188 A200 R201 R206 F207 V208 Y220 F223	I188-Y204 HydrophobicContact CD1-CD1 3.91Å; I188-Y204 HydrophobicContact CD1-CD2 4.05Å; I188-Y204 HydrophobicContact CD1-CE1 3.75Å; I188-Y204 HydrophobicContact CD1-CE2 3.89Å; I188-Y204 HydrophobicContact CD1-CG 4.05Å; I188-Y204 HydrophobicContact CG1-CD2 4.37Å; I188-Y204 HydrophobicContact CG1-CE2 4.26Å; I188-Y204 HydrophobicContact CG2-CD2 4.31Å; I188-Y204 HydrophobicContact CG2-CE2 3.54Å; A200-Y204 WeakPolarHBondContact O-CD2 3.37Å; A200-Y204 PolarHBondContact O-N 3.1Å; R201-Y204 WeakPolarHBondContact O-CB 3.19Å; R201-Y204 PolarHBondContact O-N 3.35Å; R201-Y204 VanDerWaalsContact O-N 3.09Å; Y204-R206 VanDerWaalsContact C-N 3.31Å; Y204-R206 PolarHBondContact O-N 3.01Å; Y204-F207 HydrophobicContact CD1-CD1 4.17Å; Y204-F207 HydrophobicContact CE1-CD1 4.46Å; Y204-F207 PolarHBondContact O-N 2.88Å; Y204-F207 VanDerWaalsContact O-N 3.15Å; Y204-V208 PolarHBondContact O-N 3.3Å; Y204-Y220 VanDerWaalsContact CB-CD2 3.45Å; Y204-Y220 AromaticContact CD1-CD2 3.88Å; Y204-Y220 HydrophobicContact CD1-CD2 3.88Å; Y204-Y220 AromaticContact CD1-CG 3.87Å; Y204-Y220 HydrophobicContact CD1-CG 3.87Å; Y204-Y220 AromaticContact CD2-CD2 3.95Å; Y204-Y220 HydrophobicContact CD2-CD2 3.95Å; Y204-Y220 HydrophobicContact CD2-CE2 4.4Å; Y204-Y220 AromaticContact CG-CD2 3.51Å; Y204-Y220 HydrophobicContact CG-CD2 3.51Å; Y204-Y220 HydrophobicContact CG-CE2 4.09Å; Y204-Y220 AromaticContact CG-CG 3.91Å; Y204-Y220 HydrophobicContact CG-CG 3.91Å; Y204-F223 HydrophobicContact CD2-CB 4.48Å; Y204-F223 AromaticContact CD2-CD1 3.57Å; Y204-F223 HydrophobicContact CD2-CD1 3.57Å; Y204-F223 AromaticContact CD2-CE1 3.83Å; Y204-F223 HydrophobicContact CD2-CE1 3.83Å; Y204-F223 AromaticContact CD2-CG 3.94Å; Y204-F223 HydrophobicContact CD2-CG 3.94Å; Y204-F223 HydrophobicContact CD2-CZ 4.41Å; Y204-F223 HydrophobicContact CE2-CB 3.72Å; Y204-F223 AromaticContact CE2-CD1 3.48Å; Y204-F223 HydrophobicContact CE2-CD1 3.48Å; Y204-F223 VanDerWaalsContact CE2-CD1 3.48Å; Y204-F223 AromaticContact CE2-CD2 3.69Å; Y204-F223 HydrophobicContact CE2-CD2 3.69Å; Y204-F223 AromaticContact CE2-CE1 3.95Å; Y204-F223 HydrophobicContact CE2-CE1 3.95Å; Y204-F223 HydrophobicContact CE2-CE2 4.15Å; Y204-F223 AromaticContact CE2-CG 3.32Å; Y204-F223 HydrophobicContact CE2-CG 3.32Å; Y204-F223 HydrophobicContact CE2-CZ 4.26Å; Y204-F223 AromaticContact CZ-CG 3.98Å
205	E	89	Confident	88.1	Confident	57 Å²	57	56.3 Å²	56.3	27%	0.266	27%	0.273	S	S	.	.	H	α-helix	trans	-57.9	-40.8	175.5	-74.4	-63	153.4	0	0	112.5	R201 I203 M209 Y220 R239	R201-E205 WeakPolarHBondContact O-CG 3.32Å; R201-E205 PolarHBondContact O-N 3.25Å; I203-E205 PolarHBondContact O-N 3.01Å; E205-M209 VanDerWaalsContact O-CG 3.31Å; E205-M209 WeakPolarHBondContact O-CG 3.41Å; E205-Y220 VanDerWaalsContact OE1-CE1 3.31Å; E205-Y220 WeakPolarHBondContact OE1-CE1 3.5Å; E205-Y220 PolarHBondContact OE1-OH 3.01Å; E205-R239 IonicContact OE1-CZ 3.75Å; E205-R239 IonicContact OE1-NH1 3.41Å; E205-R239 PolarHBondContact OE1-NH1 3Å; E205-R239 IonicContact OE1-NH2 2.71Å; E205-R239 PolarHBondContact OE1-NH2 3.2Å; E205-R239 IonicContact OE2-CZ 3.72Å; E205-R239 IonicContact OE2-NH1 3.72Å; E205-R239 PolarHBondContact OE2-NH1 3.37Å; E205-R239 IonicContact OE2-NH2 3.46Å; E205-R239 PolarHBondContact OE2-NH2 2.92Å
206	R	89.7	Confident	88.3	Confident	91 Å²	91	47.7 Å²	47.7	34%	0.343	24%	0.236	S	C	.	.	H	α-helix	trans	-71.7	-41.6	172.8	-69.7	-174.4	-71.3	168.1	-3.9	111.9	E172 W184 S202 I203 Y204 V208 M209 V210	E172-R206 IonicContact OE1-CZ 3.52Å; E172-R206 IonicContact OE1-NH1 3.29Å; E172-R206 IonicContact OE1-NH2 2.77Å; E172-R206 PolarHBondContact OE1-NH2 2.86Å; E172-R206 IonicContact OE2-CZ 2.65Å; E172-R206 IonicContact OE2-NH1 2.75Å; E172-R206 PolarHBondContact OE2-NH1 2.89Å; E172-R206 IonicContact OE2-NH2 3.7Å; E172-R206 PolarHBondContact OE2-NH2 3.06Å; W184-R206 HydrophobicContact CH2-CB 4.07Å; W184-R206 HydrophobicContact CZ3-CB 3.82Å; S202-R206 PolarHBondContact O-NE 3.49Å; I203-R206 PolarHBondContact O-N 2.77Å; Y204-R206 VanDerWaalsContact C-N 3.31Å; Y204-R206 PolarHBondContact O-N 3.01Å; R206-V208 PolarHBondContact O-N 3.24Å; R206-M209 PolarHBondContact O-N 3.35Å; R206-V210 WeakPolarHBondContact O-CG2 3.49Å; R206-V210 PolarHBondContact O-N 3.28Å
207	F	91.6	Very high	88.2	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-43.7	-177.5	176.2	-130.2	0	0	0	112.8	E181 W184 H185 I203 Y204 M209 V210 H211 N216	E181-F207 HydrophobicContact CB-CE2 4.41Å; E181-F207 HydrophobicContact CB-CZ 4.21Å; E181-F207 HydrophobicContact CG-CZ 3.95Å; W184-F207 HydrophobicContact CB-CB 4.42Å; W184-F207 HydrophobicContact CB-CD2 3.47Å; W184-F207 VanDerWaalsContact CB-CD2 3.47Å; W184-F207 HydrophobicContact CB-CE2 3.8Å; W184-F207 HydrophobicContact CB-CG 3.89Å; W184-F207 HydrophobicContact CB-CZ 4.46Å; W184-F207 AromaticContact CD1-CD2 3.62Å; W184-F207 AromaticContact CD1-CE2 3.86Å; W184-F207 HydrophobicContact CD2-CB 4.02Å; W184-F207 AromaticContact CD2-CD2 3.68Å; W184-F207 HydrophobicContact CD2-CD2 3.68Å; W184-F207 HydrophobicContact CD2-CG 4.2Å; W184-F207 HydrophobicContact CE3-CB 3.7Å; W184-F207 HydrophobicContact CE3-CD2 4.27Å; W184-F207 HydrophobicContact CE3-CG 4.35Å; W184-F207 HydrophobicContact CG-CB 4.34Å; W184-F207 AromaticContact CG-CD2 3.28Å; W184-F207 HydrophobicContact CG-CD2 3.28Å; W184-F207 AromaticContact CG-CE2 3.82Å; W184-F207 HydrophobicContact CG-CE2 3.82Å; W184-F207 HydrophobicContact CG-CG 4.01Å; W184-F207 HydrophobicContact CZ3-CB 4.31Å; H185-F207 AromaticContact CE1-CE1 3.76Å; H185-F207 AromaticContact NE2-CE1 3.91Å; H185-F207 AromaticContact NE2-CZ 3.97Å; I203-F207 VanDerWaalsContact O-CB 3.31Å; I203-F207 WeakPolarHBondContact O-CB 3.47Å; I203-F207 PolarHBondContact O-N 3.45Å; Y204-F207 HydrophobicContact CD1-CD1 4.17Å; Y204-F207 HydrophobicContact CE1-CD1 4.46Å; Y204-F207 PolarHBondContact O-N 2.88Å; Y204-F207 VanDerWaalsContact O-N 3.15Å; F207-M209 VanDerWaalsContact C-N 3.26Å; F207-M209 PolarHBondContact O-N 3.32Å; F207-V210 PolarHBondContact O-N 3.48Å; F207-H211 HydrophobicContact CD2-CB 4.23Å; F207-H211 AromaticContact CD2-CD2 3.95Å; F207-H211 HydrophobicContact CE2-CB 3.85Å; F207-H211 AromaticContact CE2-CD2 3.77Å; F207-H211 PolarHBondContact O-N 2.95Å; F207-N216 HydrophobicContact CD1-CB 4.32Å; F207-N216 HydrophobicContact CE1-CB 3.62Å; F207-N216 HydrophobicContact CZ-CB 3.88Å; F207-N216 VanDerWaalsContact CZ-OD1 3.31Å; F207-N216 WeakPolarHBondContact CZ-OD1 3.32Å
208	V	87.6	Confident	88.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-71.6	-19	178.8	-60.4	0	0	0	0	113.8	Y204 R206 P212 W217 Y220	Y204-V208 PolarHBondContact O-N 3.3Å; R206-V208 PolarHBondContact O-N 3.24Å; V208-P212 WeakPolarHBondContact O-CA 3.47Å; V208-W217 HydrophobicContact CB-CD2 4.01Å; V208-W217 HydrophobicContact CB-CE3 4.42Å; V208-W217 HydrophobicContact CB-CH2 4.35Å; V208-W217 HydrophobicContact CB-CZ2 3.9Å; V208-W217 HydrophobicContact CG1-CD2 4.08Å; V208-W217 HydrophobicContact CG1-CE3 4.4Å; V208-W217 HydrophobicContact CG1-CG 4.31Å; V208-W217 HydrophobicContact CG2-CD2 4.45Å; V208-W217 HydrophobicContact CG2-CE3 4.41Å; V208-W217 HydrophobicContact CG2-CH2 3.86Å; V208-W217 HydrophobicContact CG2-CZ2 3.86Å; V208-W217 HydrophobicContact CG2-CZ3 4.15Å; V208-Y220 HydrophobicContact CG1-CD1 4.06Å
209	M	86.5	Confident	88.3	Confident	105 Å²	105	43.1 Å²	43.1	52%	0.517	21%	0.209	S	C	.	.	H	α-helix	trans	-84.6	-36.1	173.4	-64.3	-69.1	-177.7	0	0	112.2	E205 R206 F207	E205-M209 VanDerWaalsContact O-CG 3.31Å; E205-M209 WeakPolarHBondContact O-CG 3.41Å; R206-M209 PolarHBondContact O-N 3.35Å; F207-M209 VanDerWaalsContact C-N 3.26Å; F207-M209 PolarHBondContact O-N 3.32Å
210	V	87.1	Confident	88.4	Confident	44 Å²	44	39.2 Å²	39.2	27%	0.267	19%	0.192	S	C	.	.	H	α-helix	trans	-79.3	-35.5	177.8	175.3	0	0	0	0	112	E178 W184 R206 F207	E178-V210 HydrophobicContact CB-CG1 3.71Å; E178-V210 HydrophobicContact CG-CG1 3.71Å; W184-V210 HydrophobicContact CH2-CG2 4.16Å; W184-V210 HydrophobicContact CZ2-CB 4.06Å; W184-V210 HydrophobicContact CZ2-CG1 4Å; W184-V210 HydrophobicContact CZ2-CG2 4Å; R206-V210 WeakPolarHBondContact O-CG2 3.49Å; R206-V210 PolarHBondContact O-N 3.28Å; F207-V210 PolarHBondContact O-N 3.48Å
211	H	84.4	Confident	88.3	Confident	47 Å²	47	39.2 Å²	39.2	22%	0.218	19%	0.192	C	C	.	.	S	Bend	trans	-126.5	80.3	177.7	-69.5	-74.6	0	0	0	111.2	P179 W184 F207 E213 N216	P179-H211 PolarHBondContact O-NE2 3.01Å; W184-H211 AromaticContact CD1-CD2 3.86Å; W184-H211 AromaticContact NE1-CD2 3.6Å; W184-H211 AromaticContact NE1-NE2 3.68Å; F207-H211 HydrophobicContact CD2-CB 4.23Å; F207-H211 AromaticContact CD2-CD2 3.95Å; F207-H211 HydrophobicContact CE2-CB 3.85Å; F207-H211 AromaticContact CE2-CD2 3.77Å; F207-H211 PolarHBondContact O-N 2.95Å; H211-E213 PolarHBondContact O-N 3.37Å; H211-N216 WeakPolarHBondContact CB-ND2 3.49Å; H211-N216 PolarHBondContact O-ND2 3.38Å
212	P	85.1	Confident	88.3	Confident	57 Å²	57	43.4 Å²	43.4	37%	0.37	21%	0.208	S	C	.	.			trans	-75.5	43.3	-174	-15	32.2	0	0	0	115	V208 F243 F244	V208-P212 WeakPolarHBondContact O-CA 3.47Å; P212-F243 HydrophobicContact CB-CE1 3.53Å; P212-F243 HydrophobicContact CB-CZ 3.72Å; P212-F243 HydrophobicContact CG-CE1 4.4Å; P212-F243 HydrophobicContact CG-CZ 4.09Å; P212-F244 WeakPolarHBondContact O-CE1 3.43Å; P212-F244 VanDerWaalsContact O-CZ 3.23Å; P212-F244 WeakPolarHBondContact O-CZ 3.39Å
213	E	85.6	Confident	88.3	Confident	94 Å²	94	40.6 Å²	40.6	44%	0.439	19%	0.186	S	C	.	.			trans	-79.6	137.7	172.3	-53.4	-176	157.4	0	0	110.7	H211 K215 N216 W217	H211-E213 PolarHBondContact O-N 3.37Å; E213-K215 HydrophobicContact CB-CB 4.36Å; E213-K215 PolarHBondContact O-N 3.05Å; E213-K215 VanDerWaalsContact O-N 3.11Å; E213-K215 IonicContact OE2-NZ 2.7Å; E213-N216 WeakPolarHBondContact O-CB 3.47Å; E213-N216 PolarHBondContact O-N 3.38Å; E213-W217 PolarHBondContact O-N 3.12Å
214	V	84.1	Confident	88.2	Confident	7 Å²	7	40.5 Å²	40.5	4%	0.042	19%	0.186	C	C	.	.	H	α-helix	trans	-50.5	-39.6	174.5	165.5	0	0	0	0	112.2	N216 W217 I218 F244 D250 N252 L253	V214-N216 PolarHBondContact O-N 3.12Å; V214-W217 PolarHBondContact O-N 3.02Å; V214-I218 HydrophobicContact CG1-CD1 3.65Å; V214-I218 HydrophobicContact CG1-CG1 4.26Å; V214-I218 WeakPolarHBondContact O-CG1 3.45Å; V214-I218 PolarHBondContact O-N 2.97Å; V214-F244 HydrophobicContact CB-CE2 4.37Å; V214-F244 HydrophobicContact CB-CZ 4.28Å; V214-F244 HydrophobicContact CG2-CD1 4.25Å; V214-F244 HydrophobicContact CG2-CD2 3.99Å; V214-F244 HydrophobicContact CG2-CE1 3.85Å; V214-F244 HydrophobicContact CG2-CE2 3.57Å; V214-F244 HydrophobicContact CG2-CG 4.34Å; V214-F244 HydrophobicContact CG2-CZ 3.51Å; V214-D250 HydrophobicContact CB-CB 4.32Å; V214-D250 WeakPolarHBondContact CB-OD2 3.34Å; V214-D250 HydrophobicContact CG1-CB 4.14Å; V214-D250 HydrophobicContact CG2-CB 4.06Å; V214-D250 WeakPolarHBondContact CG2-OD2 3.49Å; V214-N252 HydrophobicContact CG1-CB 4.37Å; V214-L253 HydrophobicContact CG1-CB 3.73Å; V214-L253 HydrophobicContact CG1-CD1 4.49Å
215	K	88	Confident	88.1	Confident	101 Å²	101	42.9 Å²	42.9	44%	0.439	20%	0.198	S	C	.	.	H	α-helix	trans	-52.9	-36.7	173.8	176.3	-176.7	157.4	-145.1	0	113.7	E181 E213 K219	E181-K215 IonicContact OE1-NZ 2.81Å; E181-K215 WeakPolarHBondContact OE2-CE 3.43Å; E181-K215 IonicContact OE2-NZ 2.69Å; E181-K215 PolarHBondContact OE2-NZ 3.2Å; E213-K215 HydrophobicContact CB-CB 4.36Å; E213-K215 PolarHBondContact O-N 3.05Å; E213-K215 VanDerWaalsContact O-N 3.11Å; E213-K215 IonicContact OE2-NZ 2.7Å; K215-K219 WeakPolarHBondContact O-CG 3.27Å; K215-K219 PolarHBondContact O-N 3.19Å
216	N	89.9	Confident	88	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-77	-40.1	-178.7	-63.1	-24.3	0	0	0	111.1	E181 F207 H211 E213 V214 K219 Y220	E181-N216 PolarHBondContact OE1-OD1 3.44Å; F207-N216 HydrophobicContact CD1-CB 4.32Å; F207-N216 HydrophobicContact CE1-CB 3.62Å; F207-N216 HydrophobicContact CZ-CB 3.88Å; F207-N216 VanDerWaalsContact CZ-OD1 3.31Å; F207-N216 WeakPolarHBondContact CZ-OD1 3.32Å; H211-N216 WeakPolarHBondContact CB-ND2 3.49Å; H211-N216 PolarHBondContact O-ND2 3.38Å; E213-N216 WeakPolarHBondContact O-CB 3.47Å; E213-N216 PolarHBondContact O-N 3.38Å; V214-N216 PolarHBondContact O-N 3.12Å; N216-K219 PolarHBondContact O-N 3.04Å; N216-Y220 PolarHBondContact O-N 3.01Å
217	W	89	Confident	87.8	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-60.6	-44.4	170.5	-69.1	92.2	0	0	0	112	V208 E213 V214 K219 Y220 A221 V236 R239 A240 F243 F244	V208-W217 HydrophobicContact CB-CD2 4.01Å; V208-W217 HydrophobicContact CB-CE3 4.42Å; V208-W217 HydrophobicContact CB-CH2 4.35Å; V208-W217 HydrophobicContact CB-CZ2 3.9Å; V208-W217 HydrophobicContact CG1-CD2 4.08Å; V208-W217 HydrophobicContact CG1-CE3 4.4Å; V208-W217 HydrophobicContact CG1-CG 4.31Å; V208-W217 HydrophobicContact CG2-CD2 4.45Å; V208-W217 HydrophobicContact CG2-CE3 4.41Å; V208-W217 HydrophobicContact CG2-CH2 3.86Å; V208-W217 HydrophobicContact CG2-CZ2 3.86Å; V208-W217 HydrophobicContact CG2-CZ3 4.15Å; E213-W217 PolarHBondContact O-N 3.12Å; V214-W217 PolarHBondContact O-N 3.02Å; W217-K219 VanDerWaalsContact C-N 3.31Å; W217-K219 PolarHBondContact O-N 3.28Å; W217-Y220 PolarHBondContact O-N 2.89Å; W217-Y220 VanDerWaalsContact O-N 3.17Å; W217-A221 PolarHBondContact O-N 3.35Å; W217-V236 HydrophobicContact CE3-CG1 4.04Å; W217-R239 HydrophobicContact CH2-CG 4.32Å; W217-R239 HydrophobicContact CZ3-CB 4.36Å; W217-R239 HydrophobicContact CZ3-CG 4.45Å; W217-A240 HydrophobicContact CB-CB 4.09Å; W217-A240 HydrophobicContact CD2-CB 3.79Å; W217-A240 HydrophobicContact CE3-CB 3.62Å; W217-A240 HydrophobicContact CG-CB 4.02Å; W217-A240 HydrophobicContact CZ3-CB 4.24Å; W217-F243 HydrophobicContact CZ2-CB 4.21Å; W217-F243 HydrophobicContact CZ2-CD1 4.2Å; W217-F243 HydrophobicContact CZ2-CD2 4.38Å; W217-F243 AromaticContact CZ2-CG 3.99Å; W217-F243 HydrophobicContact CZ2-CG 3.99Å; W217-F244 AromaticContact CD1-CE2 3.42Å; W217-F244 VanDerWaalsContact CD1-CE2 3.42Å; W217-F244 AromaticContact CD1-CZ 3.55Å; W217-F244 HydrophobicContact CG-CE2 4.03Å; W217-F244 AromaticContact NE1-CE2 3.68Å; W217-F244 AromaticContact NE1-CZ 3.69Å
218	I	89.5	Confident	87.3	Confident	15 Å²	15	50.6 Å²	50.6	8%	0.077	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-38.3	174.5	-65.5	167.2	0	0	0	111.3	V214 R222 N252 L253 A256	V214-I218 HydrophobicContact CG1-CD1 3.65Å; V214-I218 HydrophobicContact CG1-CG1 4.26Å; V214-I218 WeakPolarHBondContact O-CG1 3.45Å; V214-I218 PolarHBondContact O-N 2.97Å; I218-R222 HydrophobicContact CG2-CG 4.47Å; I218-R222 VanDerWaalsContact O-CB 3.3Å; I218-R222 WeakPolarHBondContact O-CB 3.27Å; I218-R222 VanDerWaalsContact O-CG 3.23Å; I218-R222 WeakPolarHBondContact O-CG 3.48Å; I218-R222 PolarHBondContact O-N 3.26Å; I218-N252 HydrophobicContact CD1-CB 3.99Å; I218-N252 WeakPolarHBondContact CD1-O 3.22Å; I218-L253 HydrophobicContact CG1-CD1 4.38Å; I218-A256 HydrophobicContact CD1-CB 4.08Å; I218-A256 HydrophobicContact CG1-CB 3.89Å; I218-A256 HydrophobicContact CG2-CB 4.07Å
219	K	88.8	Confident	87.4	Confident	74 Å²	74	55.3 Å²	55.3	32%	0.322	27%	0.267	S	S	.	.	H	α-helix	trans	-66.8	-36.4	174.6	-78.8	-178.2	176.5	-176	0	112.7	E181 H185 K215 N216 W217 F223	E181-K219 WeakPolarHBondContact OE1-CD 3.47Å; E181-K219 WeakPolarHBondContact OE1-CE 3.05Å; E181-K219 IonicContact OE1-NZ 3.68Å; E181-K219 PolarHBondContact OE1-NZ 3.02Å; E181-K219 IonicContact OE2-NZ 3.36Å; H185-K219 WeakPolarHBondContact NE2-CD 3.32Å; H185-K219 PolarHBondContact NE2-NZ 3.45Å; K215-K219 WeakPolarHBondContact O-CG 3.27Å; K215-K219 PolarHBondContact O-N 3.19Å; N216-K219 PolarHBondContact O-N 3.04Å; W217-K219 VanDerWaalsContact C-N 3.31Å; W217-K219 PolarHBondContact O-N 3.28Å; K219-F223 PolarHBondContact O-N 3.48Å; K219-F223 VanDerWaalsContact O-N 3.13Å
220	Y	90.9	Very high	87.3	Confident	3 Å²	3	52.3 Å²	52.3	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-70.2	-45.4	176	-178.7	-159.2	0	0	0	111.8	R201 Y204 E205 V208 N216 W217 R222 F223 E224 V236	R201-Y220 HydrophobicContact CG-CE2 4.12Å; R201-Y220 VanDerWaalsContact CG-OH 3.24Å; R201-Y220 WeakPolarHBondContact CG-OH 3.44Å; Y204-Y220 VanDerWaalsContact CB-CD2 3.45Å; Y204-Y220 AromaticContact CD1-CD2 3.88Å; Y204-Y220 HydrophobicContact CD1-CD2 3.88Å; Y204-Y220 AromaticContact CD1-CG 3.87Å; Y204-Y220 HydrophobicContact CD1-CG 3.87Å; Y204-Y220 AromaticContact CD2-CD2 3.95Å; Y204-Y220 HydrophobicContact CD2-CD2 3.95Å; Y204-Y220 HydrophobicContact CD2-CE2 4.4Å; Y204-Y220 AromaticContact CG-CD2 3.51Å; Y204-Y220 HydrophobicContact CG-CD2 3.51Å; Y204-Y220 HydrophobicContact CG-CE2 4.09Å; Y204-Y220 AromaticContact CG-CG 3.91Å; Y204-Y220 HydrophobicContact CG-CG 3.91Å; E205-Y220 VanDerWaalsContact OE1-CE1 3.31Å; E205-Y220 WeakPolarHBondContact OE1-CE1 3.5Å; E205-Y220 PolarHBondContact OE1-OH 3.01Å; V208-Y220 HydrophobicContact CG1-CD1 4.06Å; N216-Y220 PolarHBondContact O-N 3.01Å; W217-Y220 PolarHBondContact O-N 2.89Å; W217-Y220 VanDerWaalsContact O-N 3.17Å; Y220-R222 PolarHBondContact O-N 2.92Å; Y220-F223 HydrophobicContact CD2-CD1 4.11Å; Y220-F223 HydrophobicContact CE2-CD1 4.31Å; Y220-F223 WeakPolarHBondContact O-CA 3.33Å; Y220-F223 VanDerWaalsContact O-CB 3.28Å; Y220-F223 WeakPolarHBondContact O-CB 3.42Å; Y220-F223 PolarHBondContact O-N 2.89Å; Y220-E224 HydrophobicContact CD2-CG 4.3Å; Y220-E224 HydrophobicContact CE2-CG 3.9Å; Y220-E224 PolarHBondContact O-N 2.84Å; Y220-E224 VanDerWaalsContact O-N 3.12Å; Y220-V236 HydrophobicContact CD1-CB 4.39Å; Y220-V236 HydrophobicContact CD1-CG1 3.54Å; Y220-V236 HydrophobicContact CD1-CG2 3.84Å; Y220-V236 HydrophobicContact CE1-CB 4.43Å; Y220-V236 HydrophobicContact CE1-CG1 4.03Å; Y220-V236 HydrophobicContact CE1-CG2 3.45Å; Y220-V236 VanDerWaalsContact CE1-CG2 3.45Å; Y220-V236 HydrophobicContact CE2-CG2 4.23Å; Y220-V236 HydrophobicContact CG-CG1 3.98Å; Y220-V236 HydrophobicContact CG-CG2 4.38Å
221	A	88.5	Confident	87.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.9	-44.5	175.5	0	0	0	0	0	112	W217 F223 E224 E225 S233 V236 Y237	W217-A221 PolarHBondContact O-N 3.35Å; A221-F223 PolarHBondContact O-N 3Å; A221-E224 PolarHBondContact O-N 3.2Å; A221-E225 WeakPolarHBondContact O-CB 3.4Å; A221-E225 VanDerWaalsContact O-CG 3.28Å; A221-E225 WeakPolarHBondContact O-CG 3.28Å; A221-E225 PolarHBondContact O-N 2.8Å; A221-S233 PolarHBondContact O-OG 2.69Å; A221-V236 HydrophobicContact CB-CG1 4.1Å; A221-Y237 HydrophobicContact CB-CD1 4.23Å; A221-Y237 HydrophobicContact CB-CD2 4.01Å; A221-Y237 HydrophobicContact CB-CE1 3.73Å; A221-Y237 HydrophobicContact CB-CE2 3.49Å; A221-Y237 VanDerWaalsContact CB-CE2 3.49Å; A221-Y237 HydrophobicContact CB-CG 4.35Å
222	R	88.9	Confident	87.5	Confident	127 Å²	127	54.8 Å²	54.8	48%	0.479	28%	0.275	S	S	.	.	H	α-helix	trans	-63.1	-18.6	172.2	-73.6	178.3	-175.1	-179.7	7.6	114.6	I218 Y220 E225 K226	I218-R222 HydrophobicContact CG2-CG 4.47Å; I218-R222 VanDerWaalsContact O-CB 3.3Å; I218-R222 WeakPolarHBondContact O-CB 3.27Å; I218-R222 VanDerWaalsContact O-CG 3.23Å; I218-R222 WeakPolarHBondContact O-CG 3.48Å; I218-R222 PolarHBondContact O-N 3.26Å; Y220-R222 PolarHBondContact O-N 2.92Å; R222-E225 WeakPolarHBondContact CA-OE2 3.33Å; R222-K226 WeakPolarHBondContact O-CD 3.4Å; R222-K226 VanDerWaalsContact O-CG 3.25Å; R222-K226 WeakPolarHBondContact O-CG 3.49Å; R222-K226 PolarHBondContact O-N 3.01Å
223	F	90.2	Very high	87.6	Confident	9 Å²	9	52.1 Å²	52.1	4%	0.039	26%	0.257	C	S	.	.	H	α-helix	trans	-78.3	-49.4	172.6	162.8	-100.3	0	0	0	110.7	L192 V197 A200 Y204 K219 Y220 A221 E225 K226 H227	L192-F223 HydrophobicContact CD1-CD2 4.26Å; L192-F223 HydrophobicContact CD1-CE2 3.76Å; L192-F223 HydrophobicContact CD2-CE2 3.67Å; L192-F223 HydrophobicContact CD2-CZ 4.11Å; L192-F223 HydrophobicContact CG-CE2 4.29Å; V197-F223 HydrophobicContact CG1-CZ 4Å; A200-F223 HydrophobicContact CB-CE2 4.46Å; A200-F223 HydrophobicContact CB-CZ 3.9Å; Y204-F223 HydrophobicContact CD2-CB 4.48Å; Y204-F223 AromaticContact CD2-CD1 3.57Å; Y204-F223 HydrophobicContact CD2-CD1 3.57Å; Y204-F223 AromaticContact CD2-CE1 3.83Å; Y204-F223 HydrophobicContact CD2-CE1 3.83Å; Y204-F223 AromaticContact CD2-CG 3.94Å; Y204-F223 HydrophobicContact CD2-CG 3.94Å; Y204-F223 HydrophobicContact CD2-CZ 4.41Å; Y204-F223 HydrophobicContact CE2-CB 3.72Å; Y204-F223 AromaticContact CE2-CD1 3.48Å; Y204-F223 HydrophobicContact CE2-CD1 3.48Å; Y204-F223 VanDerWaalsContact CE2-CD1 3.48Å; Y204-F223 AromaticContact CE2-CD2 3.69Å; Y204-F223 HydrophobicContact CE2-CD2 3.69Å; Y204-F223 AromaticContact CE2-CE1 3.95Å; Y204-F223 HydrophobicContact CE2-CE1 3.95Å; Y204-F223 HydrophobicContact CE2-CE2 4.15Å; Y204-F223 AromaticContact CE2-CG 3.32Å; Y204-F223 HydrophobicContact CE2-CG 3.32Å; Y204-F223 HydrophobicContact CE2-CZ 4.26Å; Y204-F223 AromaticContact CZ-CG 3.98Å; K219-F223 PolarHBondContact O-N 3.48Å; K219-F223 VanDerWaalsContact O-N 3.13Å; Y220-F223 HydrophobicContact CD2-CD1 4.11Å; Y220-F223 HydrophobicContact CE2-CD1 4.31Å; Y220-F223 WeakPolarHBondContact O-CA 3.33Å; Y220-F223 VanDerWaalsContact O-CB 3.28Å; Y220-F223 WeakPolarHBondContact O-CB 3.42Å; Y220-F223 PolarHBondContact O-N 2.89Å; A221-F223 PolarHBondContact O-N 3Å; F223-E225 VanDerWaalsContact C-N 3.31Å; F223-E225 PolarHBondContact O-N 2.86Å; F223-K226 PolarHBondContact O-N 2.95Å; F223-H227 AromaticContact CD2-CD2 3.65Å; F223-H227 AromaticContact CD2-NE2 3.85Å; F223-H227 AromaticContact CE2-CD2 3.29Å; F223-H227 WeakPolarHBondContact CE2-CD2 3.27Å; F223-H227 AromaticContact CE2-NE2 3.27Å; F223-H227 VanDerWaalsContact CE2-NE2 3.27Å; F223-H227 WeakPolarHBondContact CE2-NE2 3.48Å; F223-H227 AromaticContact CZ-CD2 3.76Å; F223-H227 AromaticContact CZ-NE2 3.99Å; F223-H227 PolarHBondContact O-CD2 3.05Å; F223-H227 PolarHBondContact O-N 3.35Å
224	E	88.3	Confident	87.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.5	-36	175	-64.1	-61.5	149.9	0	0	112.1	R201 Y220 A221 H227 G228 Y229 H232	R201-E224 IonicContact CZ-OE1 3.82Å; R201-E224 IonicContact CZ-OE2 2.66Å; R201-E224 IonicContact NE-OE1 3.35Å; R201-E224 PolarHBondContact NE-OE1 3.48Å; R201-E224 IonicContact NE-OE2 2.76Å; R201-E224 PolarHBondContact NE-OE2 3.13Å; R201-E224 IonicContact NH2-OE1 3.84Å; R201-E224 PolarHBondContact NH2-OE1 2.88Å; R201-E224 IonicContact NH2-OE2 3.66Å; R201-E224 PolarHBondContact NH2-OE2 3.25Å; Y220-E224 HydrophobicContact CD2-CG 4.3Å; Y220-E224 HydrophobicContact CE2-CG 3.9Å; Y220-E224 PolarHBondContact O-N 2.84Å; Y220-E224 VanDerWaalsContact O-N 3.12Å; A221-E224 PolarHBondContact O-N 3.2Å; E224-H227 CarbonylContact O-C 3.35Å; E224-H227 PolarHBondContact O-N 3.38Å; E224-G228 PolarHBondContact O-N 3.27Å; E224-G228 VanDerWaalsContact O-N 3.1Å; E224-Y229 PolarHBondContact O-N 2.98Å; E224-Y229 VanDerWaalsContact OE2-CB 3.27Å; E224-Y229 WeakPolarHBondContact OE2-CB 3.33Å; E224-Y229 VanDerWaalsContact OE2-CD2 3.28Å; E224-Y229 WeakPolarHBondContact OE2-CD2 3.25Å; E224-H232 HydrophobicContact CG-CB 4.24Å
225	E	87.2	Confident	88.1	Confident	67 Å²	67	56.2 Å²	56.2	31%	0.313	27%	0.272	S	S	.	.	H	α-helix	trans	-55.2	-50.5	170.2	-76	164.1	-156.5	0	0	112.1	A221 R222 F223 H227 G228 Y237 F260	A221-E225 WeakPolarHBondContact O-CB 3.4Å; A221-E225 VanDerWaalsContact O-CG 3.28Å; A221-E225 WeakPolarHBondContact O-CG 3.28Å; A221-E225 PolarHBondContact O-N 2.8Å; R222-E225 WeakPolarHBondContact CA-OE2 3.33Å; F223-E225 VanDerWaalsContact C-N 3.31Å; F223-E225 PolarHBondContact O-N 2.86Å; E225-H227 PolarHBondContact O-N 3.37Å; E225-G228 PolarHBondContact O-N 2.91Å; E225-Y237 WeakPolarHBondContact OE1-CE2 3.49Å; E225-Y237 PolarHBondContact OE1-OH 3.05Å; E225-F260 HydrophobicContact CG-CD2 3.74Å; E225-F260 HydrophobicContact CG-CE2 4Å
226	K	87.4	Confident	88.2	Confident	178 Å²	178	51.7 Å²	51.7	77%	0.774	25%	0.252	S	S	*	.	H	α-helix	trans	-63.6	-28.2	179.7	-78.2	172.5	-178.6	-178.4	0	113.6	R222 F223	R222-K226 WeakPolarHBondContact O-CD 3.4Å; R222-K226 VanDerWaalsContact O-CG 3.25Å; R222-K226 WeakPolarHBondContact O-CG 3.49Å; R222-K226 PolarHBondContact O-N 3.01Å; F223-K226 PolarHBondContact O-N 2.95Å
227	H	85.6	Confident	88.1	Confident	80 Å²	80	51.9 Å²	51.9	37%	0.37	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	2.1	175.1	-72.9	-70.5	0	0	0	113.5	F223 E224 E225 Y229	F223-H227 AromaticContact CD2-CD2 3.65Å; F223-H227 AromaticContact CD2-NE2 3.85Å; F223-H227 AromaticContact CE2-CD2 3.29Å; F223-H227 WeakPolarHBondContact CE2-CD2 3.27Å; F223-H227 AromaticContact CE2-NE2 3.27Å; F223-H227 VanDerWaalsContact CE2-NE2 3.27Å; F223-H227 WeakPolarHBondContact CE2-NE2 3.48Å; F223-H227 AromaticContact CZ-CD2 3.76Å; F223-H227 AromaticContact CZ-NE2 3.99Å; F223-H227 PolarHBondContact O-CD2 3.05Å; F223-H227 PolarHBondContact O-N 3.35Å; E224-H227 CarbonylContact O-C 3.35Å; E224-H227 PolarHBondContact O-N 3.38Å; E225-H227 PolarHBondContact O-N 3.37Å; H227-Y229 VanDerWaalsContact C-N 3.29Å; H227-Y229 HydrophobicContact CB-CD2 3.64Å; H227-Y229 HydrophobicContact CB-CE2 3.84Å; H227-Y229 PolarHBondContact O-N 3.3Å
228	G	81.4	Confident	88	Confident	53 Å²	53	55.7 Å²	55.7	55%	0.546	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	7.3	176.8	0	0	0	0	0	114.9	E224 E225 V230	E224-G228 PolarHBondContact O-N 3.27Å; E224-G228 VanDerWaalsContact O-N 3.1Å; E225-G228 PolarHBondContact O-N 2.91Å; G228-V230 PolarHBondContact O-N 3.46Å
229	Y	89.3	Confident	88	Confident	98 Å²	98	58.4 Å²	58.4	38%	0.384	28%	0.28	S	S	.	.			trans	-83	60.5	-178	-66.5	-60.9	0	0	0	111.8	V197 R201 E224 H227 A231 H232 S233	V197-Y229 HydrophobicContact CG1-CE2 4.19Å; R201-Y229 VanDerWaalsContact NH2-CD2 3.26Å; E224-Y229 PolarHBondContact O-N 2.98Å; E224-Y229 VanDerWaalsContact OE2-CB 3.27Å; E224-Y229 WeakPolarHBondContact OE2-CB 3.33Å; E224-Y229 VanDerWaalsContact OE2-CD2 3.28Å; E224-Y229 WeakPolarHBondContact OE2-CD2 3.25Å; H227-Y229 VanDerWaalsContact C-N 3.29Å; H227-Y229 HydrophobicContact CB-CD2 3.64Å; H227-Y229 HydrophobicContact CB-CE2 3.84Å; H227-Y229 PolarHBondContact O-N 3.3Å; Y229-A231 VanDerWaalsContact C-N 3.26Å; Y229-A231 PolarHBondContact O-N 2.89Å; Y229-A231 VanDerWaalsContact O-N 3.16Å; Y229-H232 WeakPolarHBondContact O-CA 3.3Å; Y229-H232 PolarHBondContact O-N 3.42Å; Y229-S233 PolarHBondContact O-N 3.09Å
230	V	84.9	Confident	87.9	Confident	43 Å²	43	54.9 Å²	54.9	26%	0.261	27%	0.265	S	S	.	.	H	α-helix	trans	-47.3	-46.1	-179.1	176.9	0	0	0	0	112.4	G228 H232 S233 R234 F260 Q264	G228-V230 PolarHBondContact O-N 3.46Å; V230-H232 VanDerWaalsContact C-N 3.27Å; V230-H232 PolarHBondContact O-N 3.39Å; V230-S233 PolarHBondContact O-N 3.3Å; V230-R234 PolarHBondContact O-N 2.96Å; V230-F260 HydrophobicContact CG1-CE2 4.36Å; V230-F260 HydrophobicContact CG1-CZ 3.86Å; V230-Q264 HydrophobicContact CG1-CG 4.07Å
231	A	88.8	Confident	87.6	Confident	64 Å²	64	55.8 Å²	55.8	53%	0.529	27%	0.271	S	S	.	.	H	α-helix	trans	-69.1	-19.4	-179.6	0	0	0	0	0	114.3	Y229 K235	Y229-A231 VanDerWaalsContact C-N 3.26Å; Y229-A231 PolarHBondContact O-N 2.89Å; Y229-A231 VanDerWaalsContact O-N 3.16Å; A231-K235 WeakPolarHBondContact O-CG 3.39Å
232	H	86.6	Confident	87.4	Confident	79 Å²	79	63.1 Å²	63.1	37%	0.366	31%	0.305	S	S	.	.	H	α-helix	trans	-87.8	-43.3	170.3	-65.5	110.6	0	0	0	110.9	E224 Y229 V230 R234 K235 V236	E224-H232 HydrophobicContact CG-CB 4.24Å; Y229-H232 WeakPolarHBondContact O-CA 3.3Å; Y229-H232 PolarHBondContact O-N 3.42Å; V230-H232 VanDerWaalsContact C-N 3.27Å; V230-H232 PolarHBondContact O-N 3.39Å; H232-R234 VanDerWaalsContact C-N 3.3Å; H232-R234 PolarHBondContact O-N 3.16Å; H232-K235 WeakPolarHBondContact O-CB 3.48Å; H232-K235 PolarHBondContact O-N 3.05Å; H232-K235 VanDerWaalsContact O-N 3.08Å; H232-V236 WeakPolarHBondContact O-CG2 3.49Å; H232-V236 PolarHBondContact O-N 3.1Å
233	S	87.6	Confident	87.2	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-55.5	-44.3	174.3	-173.3	0	0	0	0	112.1	A221 Y229 V230 K235 V236 Y237	A221-S233 PolarHBondContact O-OG 2.69Å; Y229-S233 PolarHBondContact O-N 3.09Å; V230-S233 PolarHBondContact O-N 3.3Å; S233-K235 PolarHBondContact O-N 3.43Å; S233-V236 WeakPolarHBondContact O-CB 3.3Å; S233-V236 PolarHBondContact O-N 2.84Å; S233-V236 VanDerWaalsContact O-N 3.09Å; S233-Y237 VanDerWaalsContact O-CD2 3.27Å; S233-Y237 WeakPolarHBondContact O-CD2 3.34Å; S233-Y237 PolarHBondContact O-N 3.33Å; S233-Y237 WeakPolarHBondContact OG-CE2 3.33Å
234	R	88.8	Confident	86.7	Confident	61 Å²	61	62.8 Å²	62.8	23%	0.23	31%	0.307	C	S	.	.	H	α-helix	trans	-59.1	-44	174.7	-172.4	173.4	-72.8	137.1	0	112.7	V230 H232 V236 Y237 E238 F260 E261	V230-R234 PolarHBondContact O-N 2.96Å; H232-R234 VanDerWaalsContact C-N 3.3Å; H232-R234 PolarHBondContact O-N 3.16Å; R234-V236 VanDerWaalsContact C-N 3.3Å; R234-V236 PolarHBondContact O-N 3Å; R234-Y237 PolarHBondContact O-N 3.02Å; R234-E238 HydrophobicContact CG-CG 4.37Å; R234-E238 WeakPolarHBondContact O-CB 3.24Å; R234-E238 VanDerWaalsContact O-CG 3.31Å; R234-E238 WeakPolarHBondContact O-CG 3.39Å; R234-E238 PolarHBondContact O-N 2.75Å; R234-F260 HydrophobicContact CB-CE1 3.96Å; R234-F260 HydrophobicContact CB-CZ 4.25Å; R234-E261 IonicContact CZ-OE1 3.46Å; R234-E261 IonicContact CZ-OE2 3.49Å; R234-E261 IonicContact NE-OE1 2.74Å; R234-E261 PolarHBondContact NE-OE1 3.13Å; R234-E261 IonicContact NE-OE2 2.69Å; R234-E261 PolarHBondContact NE-OE2 3.4Å; R234-E261 IonicContact NH2-OE1 2.71Å; R234-E261 IonicContact NH2-OE2 2.74Å; R234-E261 PolarHBondContact NH2-OE2 3.41Å
235	K	90.2	Very high	86	Confident	127 Å²	127	64.2 Å²	64.2	55%	0.552	32%	0.322	S	S	*	.	H	α-helix	trans	-63.9	-33.8	174.5	-70.9	175.4	-178.4	-179	0	112.7	A231 H232 S233 R239	A231-K235 WeakPolarHBondContact O-CG 3.39Å; H232-K235 WeakPolarHBondContact O-CB 3.48Å; H232-K235 PolarHBondContact O-N 3.05Å; H232-K235 VanDerWaalsContact O-N 3.08Å; S233-K235 PolarHBondContact O-N 3.43Å; K235-R239 WeakPolarHBondContact O-CB 3.28Å; K235-R239 PolarHBondContact O-N 2.98Å
236	V	89.4	Confident	84.7	Confident	5 Å²	5	68.1 Å²	68.1	3%	0.03	34%	0.34	C	S	.	.	H	α-helix	trans	-67.6	-42.8	175	173.3	0	0	0	0	110.7	W217 Y220 A221 H232 S233 R234 A240	W217-V236 HydrophobicContact CE3-CG1 4.04Å; Y220-V236 HydrophobicContact CD1-CB 4.39Å; Y220-V236 HydrophobicContact CD1-CG1 3.54Å; Y220-V236 HydrophobicContact CD1-CG2 3.84Å; Y220-V236 HydrophobicContact CE1-CB 4.43Å; Y220-V236 HydrophobicContact CE1-CG1 4.03Å; Y220-V236 HydrophobicContact CE1-CG2 3.45Å; Y220-V236 VanDerWaalsContact CE1-CG2 3.45Å; Y220-V236 HydrophobicContact CE2-CG2 4.23Å; Y220-V236 HydrophobicContact CG-CG1 3.98Å; Y220-V236 HydrophobicContact CG-CG2 4.38Å; A221-V236 HydrophobicContact CB-CG1 4.1Å; H232-V236 WeakPolarHBondContact O-CG2 3.49Å; H232-V236 PolarHBondContact O-N 3.1Å; S233-V236 WeakPolarHBondContact O-CB 3.3Å; S233-V236 PolarHBondContact O-N 2.84Å; S233-V236 VanDerWaalsContact O-N 3.09Å; R234-V236 VanDerWaalsContact C-N 3.3Å; R234-V236 PolarHBondContact O-N 3Å; V236-A240 VanDerWaalsContact O-CB 3.27Å; V236-A240 WeakPolarHBondContact O-CB 3.26Å; V236-A240 PolarHBondContact O-N 3.35Å
237	Y	88.4	Confident	83.4	Confident	4 Å²	4	67.7 Å²	67.7	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-66.2	-45	173.2	-74.1	-65.7	0	0	0	112.6	A221 E225 S233 R234 A240 V241 L253 A256 F257 F260	A221-Y237 HydrophobicContact CB-CD1 4.23Å; A221-Y237 HydrophobicContact CB-CD2 4.01Å; A221-Y237 HydrophobicContact CB-CE1 3.73Å; A221-Y237 HydrophobicContact CB-CE2 3.49Å; A221-Y237 VanDerWaalsContact CB-CE2 3.49Å; A221-Y237 HydrophobicContact CB-CG 4.35Å; E225-Y237 WeakPolarHBondContact OE1-CE2 3.49Å; E225-Y237 PolarHBondContact OE1-OH 3.05Å; S233-Y237 VanDerWaalsContact O-CD2 3.27Å; S233-Y237 WeakPolarHBondContact O-CD2 3.34Å; S233-Y237 PolarHBondContact O-N 3.33Å; S233-Y237 WeakPolarHBondContact OG-CE2 3.33Å; R234-Y237 PolarHBondContact O-N 3.02Å; Y237-A240 WeakPolarHBondContact O-CB 3.39Å; Y237-A240 PolarHBondContact O-N 3.36Å; Y237-V241 WeakPolarHBondContact O-CG2 3.31Å; Y237-V241 PolarHBondContact O-N 3.17Å; Y237-L253 HydrophobicContact CD1-CD1 4.25Å; Y237-A256 HydrophobicContact CE1-CB 4.05Å; Y237-F257 VanDerWaalsContact CB-CD2 3.45Å; Y237-F257 HydrophobicContact CD1-CB 3.73Å; Y237-F257 HydrophobicContact CD1-CD2 4.04Å; Y237-F257 HydrophobicContact CD1-CG 4.08Å; Y237-F257 AromaticContact CD2-CD2 3.7Å; Y237-F257 HydrophobicContact CD2-CD2 3.7Å; Y237-F257 HydrophobicContact CD2-CE2 4.26Å; Y237-F257 HydrophobicContact CE1-CB 4.09Å; Y237-F257 HydrophobicContact CE2-CD2 4.43Å; Y237-F257 HydrophobicContact CG-CB 4.1Å; Y237-F257 AromaticContact CG-CD2 3.48Å; Y237-F257 HydrophobicContact CG-CD2 3.48Å; Y237-F257 VanDerWaalsContact CG-CD2 3.48Å; Y237-F257 HydrophobicContact CG-CE2 4.12Å; Y237-F257 AromaticContact CG-CG 3.95Å; Y237-F257 HydrophobicContact CG-CG 3.95Å; Y237-F260 HydrophobicContact CD2-CB 4.32Å; Y237-F260 AromaticContact CD2-CD1 3.77Å; Y237-F260 HydrophobicContact CD2-CD1 3.77Å; Y237-F260 HydrophobicContact CD2-CE1 4.23Å; Y237-F260 AromaticContact CD2-CG 4Å; Y237-F260 HydrophobicContact CD2-CG 4Å; Y237-F260 HydrophobicContact CE2-CB 3.53Å; Y237-F260 AromaticContact CE2-CD1 3.75Å; Y237-F260 HydrophobicContact CE2-CD1 3.75Å; Y237-F260 AromaticContact CE2-CD2 3.96Å; Y237-F260 HydrophobicContact CE2-CD2 3.96Å; Y237-F260 HydrophobicContact CE2-CE1 4.45Å; Y237-F260 AromaticContact CE2-CG 3.46Å; Y237-F260 HydrophobicContact CE2-CG 3.46Å; Y237-F260 VanDerWaalsContact CE2-CG 3.46Å
238	E	87.6	Confident	82.2	Confident	83 Å²	83	72.4 Å²	72.4	39%	0.388	36%	0.357	S	S	.	.	H	α-helix	trans	-59.8	-47.6	177.7	-74.4	169	162.7	0	0	111.1	R234 A240 V241 E242 R269	R234-E238 HydrophobicContact CG-CG 4.37Å; R234-E238 WeakPolarHBondContact O-CB 3.24Å; R234-E238 VanDerWaalsContact O-CG 3.31Å; R234-E238 WeakPolarHBondContact O-CG 3.39Å; R234-E238 PolarHBondContact O-N 2.75Å; E238-A240 VanDerWaalsContact C-N 3.35Å; E238-A240 PolarHBondContact O-N 2.92Å; E238-V241 PolarHBondContact O-N 3.34Å; E238-E242 PolarHBondContact O-N 3.07Å; E238-R269 IonicContact OE1-CZ 2.92Å; E238-R269 IonicContact OE1-NH1 3.02Å; E238-R269 IonicContact OE1-NH2 3.53Å; E238-R269 PolarHBondContact OE1-NH2 2.7Å
239	R	88.3	Confident	81.3	Confident	71 Å²	71	71.1 Å²	71.1	27%	0.268	34%	0.338	S	S	.	.	H	α-helix	trans	-68.9	-29.4	176.3	-164.9	-176.7	69.9	-173.8	5	113.1	E205 W217 K235 F243	E205-R239 IonicContact OE1-CZ 3.75Å; E205-R239 IonicContact OE1-NH1 3.41Å; E205-R239 PolarHBondContact OE1-NH1 3Å; E205-R239 IonicContact OE1-NH2 2.71Å; E205-R239 PolarHBondContact OE1-NH2 3.2Å; E205-R239 IonicContact OE2-CZ 3.72Å; E205-R239 IonicContact OE2-NH1 3.72Å; E205-R239 PolarHBondContact OE2-NH1 3.37Å; E205-R239 IonicContact OE2-NH2 3.46Å; E205-R239 PolarHBondContact OE2-NH2 2.92Å; W217-R239 HydrophobicContact CH2-CG 4.32Å; W217-R239 HydrophobicContact CZ3-CB 4.36Å; W217-R239 HydrophobicContact CZ3-CG 4.45Å; K235-R239 WeakPolarHBondContact O-CB 3.28Å; K235-R239 PolarHBondContact O-N 2.98Å; R239-F243 WeakPolarHBondContact O-CB 3.29Å; R239-F243 PolarHBondContact O-N 2.64Å
240	A	87.1	Confident	80.2	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.008	34%	0.343	C	S	.	.	H	α-helix	trans	-65	-47.4	172.2	0	0	0	0	0	110.8	W217 V236 Y237 E238 E242 F243 F244 L253	W217-A240 HydrophobicContact CB-CB 4.09Å; W217-A240 HydrophobicContact CD2-CB 3.79Å; W217-A240 HydrophobicContact CE3-CB 3.62Å; W217-A240 HydrophobicContact CG-CB 4.02Å; W217-A240 HydrophobicContact CZ3-CB 4.24Å; V236-A240 VanDerWaalsContact O-CB 3.27Å; V236-A240 WeakPolarHBondContact O-CB 3.26Å; V236-A240 PolarHBondContact O-N 3.35Å; Y237-A240 WeakPolarHBondContact O-CB 3.39Å; Y237-A240 PolarHBondContact O-N 3.36Å; E238-A240 VanDerWaalsContact C-N 3.35Å; E238-A240 PolarHBondContact O-N 2.92Å; A240-E242 VanDerWaalsContact C-N 3.33Å; A240-E242 PolarHBondContact O-N 3.35Å; A240-F243 PolarHBondContact O-N 3.36Å; A240-F244 HydrophobicContact CB-CD2 4.48Å; A240-F244 WeakPolarHBondContact O-CD2 3.39Å; A240-F244 PolarHBondContact O-N 3.46Å; A240-L253 HydrophobicContact CB-CD1 3.96Å; A240-L253 HydrophobicContact CB-CD2 4.07Å
241	V	84.3	Confident	79.7	Confident	21 Å²	21	70.5 Å²	70.5	13%	0.127	34%	0.339	C	S	.	.	H	α-helix	trans	-63.4	-38.8	177.3	174.6	0	0	0	0	111.3	Y237 E238 G245 L253 F254 Y276	Y237-V241 WeakPolarHBondContact O-CG2 3.31Å; Y237-V241 PolarHBondContact O-N 3.17Å; E238-V241 PolarHBondContact O-N 3.34Å; V241-G245 PolarHBondContact O-N 3.4Å; V241-L253 HydrophobicContact CG2-CD2 3.97Å; V241-L253 HydrophobicContact CG2-CG 4.45Å; V241-F254 HydrophobicContact CG1-CE1 4.44Å; V241-F254 HydrophobicContact CG2-CE1 4.14Å; V241-Y276 HydrophobicContact CG1-CE1 4Å
242	E	86	Confident	79.4	Confident	155 Å²	155	72.1 Å²	72.1	72%	0.724	34%	0.338	S	S	*	.	H	α-helix	trans	-63.4	-44.1	172.6	-174.3	178.7	-158.9	0	0	112.4	E238 A240 G245	E238-E242 PolarHBondContact O-N 3.07Å; A240-E242 VanDerWaalsContact C-N 3.33Å; A240-E242 PolarHBondContact O-N 3.35Å; E242-G245 PolarHBondContact O-N 2.91Å
243	F	84.1	Confident	79.3	Confident	98 Å²	98	68.3 Å²	68.3	43%	0.43	32%	0.321	S	S	.	.	H	α-helix	trans	-69.1	-40.6	-177.6	179.5	-85.3	0	0	0	113.4	P212 W217 R239 A240 G245	P212-F243 HydrophobicContact CB-CE1 3.53Å; P212-F243 HydrophobicContact CB-CZ 3.72Å; P212-F243 HydrophobicContact CG-CE1 4.4Å; P212-F243 HydrophobicContact CG-CZ 4.09Å; W217-F243 HydrophobicContact CZ2-CB 4.21Å; W217-F243 HydrophobicContact CZ2-CD1 4.2Å; W217-F243 HydrophobicContact CZ2-CD2 4.38Å; W217-F243 AromaticContact CZ2-CG 3.99Å; W217-F243 HydrophobicContact CZ2-CG 3.99Å; R239-F243 WeakPolarHBondContact O-CB 3.29Å; R239-F243 PolarHBondContact O-N 2.64Å; A240-F243 PolarHBondContact O-N 3.36Å; F243-G245 VanDerWaalsContact C-N 3.32Å
244	F	79.3	Confident	79.1	Confident	30 Å²	30	68.5 Å²	68.5	13%	0.132	32%	0.322	C	S	.	.	H	α-helix	trans	-77.1	-18.7	177.7	-74.4	-63.4	0	0	0	113.4	P212 V214 W217 A240 Y248 V249 L253	P212-F244 WeakPolarHBondContact O-CE1 3.43Å; P212-F244 VanDerWaalsContact O-CZ 3.23Å; P212-F244 WeakPolarHBondContact O-CZ 3.39Å; V214-F244 HydrophobicContact CB-CE2 4.37Å; V214-F244 HydrophobicContact CB-CZ 4.28Å; V214-F244 HydrophobicContact CG2-CD1 4.25Å; V214-F244 HydrophobicContact CG2-CD2 3.99Å; V214-F244 HydrophobicContact CG2-CE1 3.85Å; V214-F244 HydrophobicContact CG2-CE2 3.57Å; V214-F244 HydrophobicContact CG2-CG 4.34Å; V214-F244 HydrophobicContact CG2-CZ 3.51Å; W217-F244 AromaticContact CD1-CE2 3.42Å; W217-F244 VanDerWaalsContact CD1-CE2 3.42Å; W217-F244 AromaticContact CD1-CZ 3.55Å; W217-F244 HydrophobicContact CG-CE2 4.03Å; W217-F244 AromaticContact NE1-CE2 3.68Å; W217-F244 AromaticContact NE1-CZ 3.69Å; A240-F244 HydrophobicContact CB-CD2 4.48Å; A240-F244 WeakPolarHBondContact O-CD2 3.39Å; A240-F244 PolarHBondContact O-N 3.46Å; F244-Y248 WeakPolarHBondContact CB-O 3.25Å; F244-Y248 WeakPolarHBondContact CD1-O 3.5Å; F244-V249 HydrophobicContact CB-CG2 4.39Å; F244-L253 HydrophobicContact CD2-CD2 3.86Å; F244-L253 HydrophobicContact CE2-CD2 4.47Å
245	G	73	Confident	78.9	Confident	30 Å²	30	66 Å²	66	31%	0.309	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	-133	170	0	0	0	0	0	113.9	V241 E242 F243 V249	V241-G245 PolarHBondContact O-N 3.4Å; E242-G245 PolarHBondContact O-N 2.91Å; F243-G245 VanDerWaalsContact C-N 3.32Å; G245-V249 WeakPolarHBondContact O-CG2 3.43Å
246	E	61.2	Low	78.7	Confident	149 Å²	149	60.4 Å²	60.4	70%	0.696	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-7.9	-176.6	-79.2	172.7	-166.8	0	0	113.9	R280	E246-R280 IonicContact OE1-CZ 3.6Å; E246-R280 IonicContact OE1-NH1 3.38Å; E246-R280 PolarHBondContact OE1-NH1 3.38Å; E246-R280 IonicContact OE1-NH2 2.77Å; E246-R280 PolarHBondContact OE1-NH2 3.14Å
247	E	60.3	Low	78.5	Confident	170 Å²	170	60.8 Å²	60.8	79%	0.794	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-29.1	-167.6	-160.4	167.9	-157.1	0	0	113.6
248	Y	60.3	Low	78.4	Confident	179 Å²	179	60.6 Å²	60.6	70%	0.702	29%	0.291	S	S	*	.			trans	-142.6	82.5	-177.3	-76.1	-81.7	0	0	0	112.6	F244	F244-Y248 WeakPolarHBondContact CB-O 3.25Å; F244-Y248 WeakPolarHBondContact CD1-O 3.5Å
249	V	62.5	Low	78.3	Confident	25 Å²	25	62.1 Å²	62.1	15%	0.152	29%	0.293	C	S	.	.			trans	-122.6	102.6	179.7	-156.5	0	0	0	0	112.3	F244 G245 L253 F254	F244-V249 HydrophobicContact CB-CG2 4.39Å; G245-V249 WeakPolarHBondContact O-CG2 3.43Å; V249-L253 HydrophobicContact CG1-CD2 4.36Å; V249-F254 HydrophobicContact CB-CE2 4.09Å; V249-F254 HydrophobicContact CG1-CD2 4.04Å; V249-F254 HydrophobicContact CG1-CE2 3.31Å; V249-F254 HydrophobicContact CG1-CZ 3.67Å
250	D	66.1	Low	78.3	Confident	90 Å²	90	58.9 Å²	58.9	48%	0.481	28%	0.281	S	S	.	.			trans	-65.7	138.6	174.3	-68.2	-34.6	0	0	0	111.7	V214 N252 L253	V214-D250 HydrophobicContact CB-CB 4.32Å; V214-D250 WeakPolarHBondContact CB-OD2 3.34Å; V214-D250 HydrophobicContact CG1-CB 4.14Å; V214-D250 HydrophobicContact CG2-CB 4.06Å; V214-D250 WeakPolarHBondContact CG2-OD2 3.49Å; D250-N252 HydrophobicContact CB-CB 4.38Å; D250-N252 PolarHBondContact O-N 3Å; D250-L253 PolarHBondContact O-N 3.16Å
251	E	73.9	Confident	78.3	Confident	38 Å²	38	58.9 Å²	58.9	18%	0.178	28%	0.281	C	S	.	.	H	α-helix	trans	-50.5	-33.7	171.6	-65	172.2	-90.2	0	0	112.9	L253 F254 V255 I281 Q285 A286 E288 L289	E251-L253 PolarHBondContact O-N 3.46Å; E251-F254 PolarHBondContact O-N 2.81Å; E251-V255 WeakPolarHBondContact O-CB 3.46Å; E251-V255 WeakPolarHBondContact O-CG2 3.36Å; E251-V255 PolarHBondContact O-N 2.83Å; E251-I281 HydrophobicContact CG-CD1 4.05Å; E251-I281 HydrophobicContact CG-CG2 4.49Å; E251-Q285 VanDerWaalsContact OE2-O 3.1Å; E251-A286 VanDerWaalsContact OE2-CA 3.3Å; E251-A286 WeakPolarHBondContact OE2-CA 3.3Å; E251-E288 PolarHBondContact OE2-N 3Å; E251-L289 HydrophobicContact CG-CB 4.25Å; E251-L289 PolarHBondContact OE2-N 3.03Å
252	N	81.5	Confident	78.4	Confident	98 Å²	98	59.9 Å²	59.9	52%	0.524	28%	0.284	S	S	.	.	H	α-helix	trans	-56.1	-33.2	179.3	-77.4	-66.4	0	0	0	113.2	V214 I218 D250 A256	V214-N252 HydrophobicContact CG1-CB 4.37Å; I218-N252 HydrophobicContact CD1-CB 3.99Å; I218-N252 WeakPolarHBondContact CD1-O 3.22Å; D250-N252 HydrophobicContact CB-CB 4.38Å; D250-N252 PolarHBondContact O-N 3Å; N252-A256 VanDerWaalsContact O-CB 3.25Å; N252-A256 WeakPolarHBondContact O-CB 3.26Å; N252-A256 PolarHBondContact O-N 3.48Å
253	L	84.5	Confident	78.3	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.1	-50.7	177.6	-175.2	58.7	0	0	0	110.7	V214 I218 Y237 A240 V241 F244 V249 D250 E251 A256 F257	V214-L253 HydrophobicContact CG1-CB 3.73Å; V214-L253 HydrophobicContact CG1-CD1 4.49Å; I218-L253 HydrophobicContact CG1-CD1 4.38Å; Y237-L253 HydrophobicContact CD1-CD1 4.25Å; A240-L253 HydrophobicContact CB-CD1 3.96Å; A240-L253 HydrophobicContact CB-CD2 4.07Å; V241-L253 HydrophobicContact CG2-CD2 3.97Å; V241-L253 HydrophobicContact CG2-CG 4.45Å; F244-L253 HydrophobicContact CD2-CD2 3.86Å; F244-L253 HydrophobicContact CE2-CD2 4.47Å; V249-L253 HydrophobicContact CG1-CD2 4.36Å; D250-L253 PolarHBondContact O-N 3.16Å; E251-L253 PolarHBondContact O-N 3.46Å; L253-A256 PolarHBondContact O-N 2.69Å; L253-F257 WeakPolarHBondContact O-CB 3.48Å; L253-F257 PolarHBondContact O-N 3.1Å
254	F	84.4	Confident	78.3	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-67.9	-38	179.9	-66.2	-60.9	0	0	0	112.4	V241 V249 E251 A256 F257 A258 I273 Y276 A277 I281 L289	V241-F254 HydrophobicContact CG1-CE1 4.44Å; V241-F254 HydrophobicContact CG2-CE1 4.14Å; V249-F254 HydrophobicContact CB-CE2 4.09Å; V249-F254 HydrophobicContact CG1-CD2 4.04Å; V249-F254 HydrophobicContact CG1-CE2 3.31Å; V249-F254 HydrophobicContact CG1-CZ 3.67Å; E251-F254 PolarHBondContact O-N 2.81Å; F254-A256 VanDerWaalsContact C-N 3.33Å; F254-A256 PolarHBondContact O-N 3.06Å; F254-F257 PolarHBondContact O-N 3.4Å; F254-A258 WeakPolarHBondContact O-CB 3.48Å; F254-A258 PolarHBondContact O-N 3.49Å; F254-I273 HydrophobicContact CB-CG2 4.46Å; F254-I273 HydrophobicContact CD1-CG2 4.07Å; F254-Y276 AromaticContact CE1-CD1 3.9Å; F254-Y276 HydrophobicContact CE1-CD1 3.9Å; F254-Y276 HydrophobicContact CE1-CE1 4.11Å; F254-Y276 HydrophobicContact CZ-CD1 4.05Å; F254-Y276 HydrophobicContact CZ-CE1 4.12Å; F254-A277 HydrophobicContact CB-CB 3.92Å; F254-A277 HydrophobicContact CD1-CB 3.92Å; F254-A277 HydrophobicContact CD2-CB 3.36Å; F254-A277 HydrophobicContact CE1-CB 4.21Å; F254-A277 HydrophobicContact CE2-CB 3.66Å; F254-A277 HydrophobicContact CG-CB 3.48Å; F254-A277 VanDerWaalsContact CG-CB 3.48Å; F254-A277 HydrophobicContact CZ-CB 4.08Å; F254-I281 HydrophobicContact CD2-CD1 3.67Å; F254-I281 HydrophobicContact CE2-CD1 3.8Å; F254-I281 HydrophobicContact CE2-CG1 4.31Å; F254-L289 HydrophobicContact CB-CD1 4.13Å
255	V	84.8	Confident	78.5	Confident	8 Å²	8	61.6 Å²	61.6	5%	0.048	30%	0.298	C	S	.	.	H	α-helix	trans	-65.8	-35.8	174.5	173	0	0	0	0	111.3	E251 R259 L289 N292	E251-V255 WeakPolarHBondContact O-CB 3.46Å; E251-V255 WeakPolarHBondContact O-CG2 3.36Å; E251-V255 PolarHBondContact O-N 2.83Å; V255-R259 WeakPolarHBondContact O-CB 3.32Å; V255-R259 WeakPolarHBondContact O-CD 3.38Å; V255-R259 WeakPolarHBondContact O-CG 3.24Å; V255-R259 PolarHBondContact O-N 3.33Å; V255-L289 HydrophobicContact CG2-CD1 3.95Å; V255-N292 HydrophobicContact CG1-CB 4.48Å; V255-N292 HydrophobicContact CG2-CB 4.18Å
256	A	84.6	Confident	79.1	Confident	9 Å²	9	64.8 Å²	64.8	7%	0.074	31%	0.305	C	S	.	.	H	α-helix	trans	-68.1	-47.1	172.2	0	0	0	0	0	112	I218 Y237 N252 L253 F254 R259 F260	I218-A256 HydrophobicContact CD1-CB 4.08Å; I218-A256 HydrophobicContact CG1-CB 3.89Å; I218-A256 HydrophobicContact CG2-CB 4.07Å; Y237-A256 HydrophobicContact CE1-CB 4.05Å; N252-A256 VanDerWaalsContact O-CB 3.25Å; N252-A256 WeakPolarHBondContact O-CB 3.26Å; N252-A256 PolarHBondContact O-N 3.48Å; L253-A256 PolarHBondContact O-N 2.69Å; F254-A256 VanDerWaalsContact C-N 3.33Å; F254-A256 PolarHBondContact O-N 3.06Å; A256-R259 PolarHBondContact O-N 3.31Å; A256-F260 PolarHBondContact O-N 3.33Å
257	F	87.1	Confident	80.1	Confident	13 Å²	13	61 Å²	61	6%	0.057	29%	0.287	C	S	.	.	H	α-helix	trans	-66.5	-40.4	-178.8	-174.9	-150.6	0	0	0	112.6	Y237 L253 F254 F260 E261 I273	Y237-F257 VanDerWaalsContact CB-CD2 3.45Å; Y237-F257 HydrophobicContact CD1-CB 3.73Å; Y237-F257 HydrophobicContact CD1-CD2 4.04Å; Y237-F257 HydrophobicContact CD1-CG 4.08Å; Y237-F257 AromaticContact CD2-CD2 3.7Å; Y237-F257 HydrophobicContact CD2-CD2 3.7Å; Y237-F257 HydrophobicContact CD2-CE2 4.26Å; Y237-F257 HydrophobicContact CE1-CB 4.09Å; Y237-F257 HydrophobicContact CE2-CD2 4.43Å; Y237-F257 HydrophobicContact CG-CB 4.1Å; Y237-F257 AromaticContact CG-CD2 3.48Å; Y237-F257 HydrophobicContact CG-CD2 3.48Å; Y237-F257 VanDerWaalsContact CG-CD2 3.48Å; Y237-F257 HydrophobicContact CG-CE2 4.12Å; Y237-F257 AromaticContact CG-CG 3.95Å; Y237-F257 HydrophobicContact CG-CG 3.95Å; L253-F257 WeakPolarHBondContact O-CB 3.48Å; L253-F257 PolarHBondContact O-N 3.1Å; F254-F257 PolarHBondContact O-N 3.4Å; F257-F260 HydrophobicContact CD2-CD1 4.05Å; F257-F260 HydrophobicContact CE2-CD1 4.23Å; F257-F260 WeakPolarHBondContact O-CB 3.29Å; F257-F260 PolarHBondContact O-N 3.12Å; F257-E261 HydrophobicContact CD2-CG 4.08Å; F257-E261 HydrophobicContact CE2-CG 3.81Å; F257-E261 WeakPolarHBondContact CE2-OE1 3.35Å; F257-E261 HydrophobicContact CZ-CG 4.48Å; F257-E261 PolarHBondContact O-N 3.48Å; F257-I273 HydrophobicContact CD1-CD1 3.6Å; F257-I273 HydrophobicContact CD1-CG1 3.91Å; F257-I273 HydrophobicContact CD1-CG2 4.08Å; F257-I273 HydrophobicContact CD2-CD1 4.32Å; F257-I273 HydrophobicContact CE1-CD1 3.48Å; F257-I273 VanDerWaalsContact CE1-CD1 3.48Å; F257-I273 HydrophobicContact CE1-CG1 3.75Å; F257-I273 HydrophobicContact CE2-CD1 4.22Å; F257-I273 HydrophobicContact CG-CD1 4.03Å; F257-I273 HydrophobicContact CZ-CD1 3.81Å; F257-I273 HydrophobicContact CZ-CG1 4.47Å
258	A	85.6	Confident	81.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-41.1	172.8	0	0	0	0	0	111.9	F254 E261 E262 V270 I273 Y274	F254-A258 WeakPolarHBondContact O-CB 3.48Å; F254-A258 PolarHBondContact O-N 3.49Å; A258-E261 PolarHBondContact O-N 2.91Å; A258-E262 VanDerWaalsContact O-CB 3.31Å; A258-E262 WeakPolarHBondContact O-CB 3.45Å; A258-E262 PolarHBondContact O-N 3.09Å; A258-V270 HydrophobicContact CB-CG1 4.06Å; A258-V270 WeakPolarHBondContact O-CG2 3.32Å; A258-I273 HydrophobicContact CB-CG2 4.34Å; A258-Y274 HydrophobicContact CB-CD2 4.32Å; A258-Y274 HydrophobicContact CB-CE1 4.25Å; A258-Y274 HydrophobicContact CB-CE2 3.69Å
259	R	85.5	Confident	82.2	Confident	115 Å²	115	56 Å²	56	43%	0.434	27%	0.266	S	S	.	.	H	α-helix	trans	-67.9	-34	173.4	-72.7	173.4	-170.8	177.5	8.3	112.2	V255 A256 E262 T263 N292	V255-R259 WeakPolarHBondContact O-CB 3.32Å; V255-R259 WeakPolarHBondContact O-CD 3.38Å; V255-R259 WeakPolarHBondContact O-CG 3.24Å; V255-R259 PolarHBondContact O-N 3.33Å; A256-R259 PolarHBondContact O-N 3.31Å; R259-E262 WeakPolarHBondContact O-CB 3.46Å; R259-E262 PolarHBondContact O-N 3.25Å; R259-T263 WeakPolarHBondContact O-CG2 3.32Å; R259-T263 PolarHBondContact O-N 2.92Å; R259-T263 VanDerWaalsContact O-N 3.09Å; R259-N292 PolarHBondContact NH2-OD1 2.79Å
260	F	88	Confident	83.2	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-62.3	-53.4	172.3	167.2	-103.9	0	0	0	110.9	E225 V230 R234 Y237 A256 F257 E262 T263 Q264	E225-F260 HydrophobicContact CG-CD2 3.74Å; E225-F260 HydrophobicContact CG-CE2 4Å; V230-F260 HydrophobicContact CG1-CE2 4.36Å; V230-F260 HydrophobicContact CG1-CZ 3.86Å; R234-F260 HydrophobicContact CB-CE1 3.96Å; R234-F260 HydrophobicContact CB-CZ 4.25Å; Y237-F260 HydrophobicContact CD2-CB 4.32Å; Y237-F260 AromaticContact CD2-CD1 3.77Å; Y237-F260 HydrophobicContact CD2-CD1 3.77Å; Y237-F260 HydrophobicContact CD2-CE1 4.23Å; Y237-F260 AromaticContact CD2-CG 4Å; Y237-F260 HydrophobicContact CD2-CG 4Å; Y237-F260 HydrophobicContact CE2-CB 3.53Å; Y237-F260 AromaticContact CE2-CD1 3.75Å; Y237-F260 HydrophobicContact CE2-CD1 3.75Å; Y237-F260 AromaticContact CE2-CD2 3.96Å; Y237-F260 HydrophobicContact CE2-CD2 3.96Å; Y237-F260 HydrophobicContact CE2-CE1 4.45Å; Y237-F260 AromaticContact CE2-CG 3.46Å; Y237-F260 HydrophobicContact CE2-CG 3.46Å; Y237-F260 VanDerWaalsContact CE2-CG 3.46Å; A256-F260 PolarHBondContact O-N 3.33Å; F257-F260 HydrophobicContact CD2-CD1 4.05Å; F257-F260 HydrophobicContact CE2-CD1 4.23Å; F257-F260 WeakPolarHBondContact O-CB 3.29Å; F257-F260 PolarHBondContact O-N 3.12Å; F260-E262 VanDerWaalsContact C-N 3.28Å; F260-E262 PolarHBondContact O-N 2.73Å; F260-T263 WeakPolarHBondContact O-CA 3.35Å; F260-T263 WeakPolarHBondContact O-CB 3.37Å; F260-T263 PolarHBondContact O-N 2.66Å; F260-T263 PolarHBondContact O-OG1 2.87Å; F260-Q264 HydrophobicContact CE1-CG 4.34Å; F260-Q264 HydrophobicContact CE2-CG 4.23Å; F260-Q264 HydrophobicContact CZ-CG 4.09Å; F260-Q264 PolarHBondContact O-N 3.27Å; F260-Q264 VanDerWaalsContact O-N 3.13Å
261	E	86.8	Confident	84	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-67.9	-25.6	178.6	-58	-68.8	-162.2	0	0	112.3	R234 F257 A258 Q264 K265 E266 R269 V270 I273	R234-E261 IonicContact CZ-OE1 3.46Å; R234-E261 IonicContact CZ-OE2 3.49Å; R234-E261 IonicContact NE-OE1 2.74Å; R234-E261 PolarHBondContact NE-OE1 3.13Å; R234-E261 IonicContact NE-OE2 2.69Å; R234-E261 PolarHBondContact NE-OE2 3.4Å; R234-E261 IonicContact NH2-OE1 2.71Å; R234-E261 IonicContact NH2-OE2 2.74Å; R234-E261 PolarHBondContact NH2-OE2 3.41Å; F257-E261 HydrophobicContact CD2-CG 4.08Å; F257-E261 HydrophobicContact CE2-CG 3.81Å; F257-E261 WeakPolarHBondContact CE2-OE1 3.35Å; F257-E261 HydrophobicContact CZ-CG 4.48Å; F257-E261 PolarHBondContact O-N 3.48Å; A258-E261 PolarHBondContact O-N 2.91Å; E261-Q264 CarbonylContact O-C 3.49Å; E261-Q264 PolarHBondContact O-N 3.43Å; E261-Q264 VanDerWaalsContact O-N 3.16Å; E261-K265 PolarHBondContact O-N 3.05Å; E261-E266 HydrophobicContact CB-CB 4.4Å; E261-E266 PolarHBondContact O-N 2.95Å; E261-R269 HydrophobicContact CG-CG 4.49Å; E261-R269 IonicContact OE1-CZ 2.74Å; E261-R269 IonicContact OE1-NE 2.73Å; E261-R269 PolarHBondContact OE1-NE 3.06Å; E261-R269 IonicContact OE1-NH2 3.28Å; E261-R269 PolarHBondContact OE1-NH2 3.16Å; E261-V270 HydrophobicContact CB-CG2 3.6Å; E261-I273 HydrophobicContact CB-CD1 4.48Å; E261-I273 HydrophobicContact CG-CD1 3.86Å
262	E	86	Confident	84.5	Confident	43 Å²	43	56.9 Å²	56.9	20%	0.201	27%	0.268	C	S	.	.	H	α-helix	trans	-59	-43.4	165.8	-176.4	-174.4	167.8	0	0	111.1	A258 R259 F260 Q264 K265 K299 F300	A258-E262 VanDerWaalsContact O-CB 3.31Å; A258-E262 WeakPolarHBondContact O-CB 3.45Å; A258-E262 PolarHBondContact O-N 3.09Å; R259-E262 WeakPolarHBondContact O-CB 3.46Å; R259-E262 PolarHBondContact O-N 3.25Å; F260-E262 VanDerWaalsContact C-N 3.28Å; F260-E262 PolarHBondContact O-N 2.73Å; E262-Q264 VanDerWaalsContact C-N 3.3Å; E262-Q264 PolarHBondContact O-N 3.45Å; E262-K265 PolarHBondContact O-N 2.99Å; E262-K299 IonicContact OE1-NZ 3.27Å; E262-K299 PolarHBondContact OE1-NZ 3.19Å; E262-K299 IonicContact OE2-NZ 3.74Å; E262-F300 HydrophobicContact CG-CE2 3.79Å; E262-F300 HydrophobicContact CG-CZ 4.19Å; E262-F300 WeakPolarHBondContact OE1-CE2 3.18Å
263	T	84.7	Confident	84.7	Confident	97 Å²	97	52.8 Å²	52.8	60%	0.595	25%	0.246	S	C	*	.	H	α-helix	trans	-66.9	-29.5	173.5	69	0	0	0	0	113.4	R259 F260 K265	R259-T263 WeakPolarHBondContact O-CG2 3.32Å; R259-T263 PolarHBondContact O-N 2.92Å; R259-T263 VanDerWaalsContact O-N 3.09Å; F260-T263 WeakPolarHBondContact O-CA 3.35Å; F260-T263 WeakPolarHBondContact O-CB 3.37Å; F260-T263 PolarHBondContact O-N 2.66Å; F260-T263 PolarHBondContact O-OG1 2.87Å; T263-K265 VanDerWaalsContact C-N 3.28Å
264	Q	84.5	Confident	84.6	Confident	66 Å²	66	52.9 Å²	52.9	31%	0.308	25%	0.247	S	C	.	.	H	α-helix	trans	-82	-6.8	175.8	-55	-47	-65.1	0	0	113	V230 F260 E261 E262 E266	V230-Q264 HydrophobicContact CG1-CG 4.07Å; F260-Q264 HydrophobicContact CE1-CG 4.34Å; F260-Q264 HydrophobicContact CE2-CG 4.23Å; F260-Q264 HydrophobicContact CZ-CG 4.09Å; F260-Q264 PolarHBondContact O-N 3.27Å; F260-Q264 VanDerWaalsContact O-N 3.13Å; E261-Q264 CarbonylContact O-C 3.49Å; E261-Q264 PolarHBondContact O-N 3.43Å; E261-Q264 VanDerWaalsContact O-N 3.16Å; E262-Q264 VanDerWaalsContact C-N 3.3Å; E262-Q264 PolarHBondContact O-N 3.45Å; Q264-E266 VanDerWaalsContact C-N 3.28Å; Q264-E266 HydrophobicContact CB-CG 4.33Å; Q264-E266 PolarHBondContact O-N 3.44Å
265	K	83.9	Confident	84.5	Confident	155 Å²	155	59 Å²	59	67%	0.674	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	19.7	-177.9	-50.5	177	-178.9	177.8	0	115	E261 E262 T263 F267	E261-K265 PolarHBondContact O-N 3.05Å; E262-K265 PolarHBondContact O-N 2.99Å; T263-K265 VanDerWaalsContact C-N 3.28Å; K265-F267 HydrophobicContact CB-CE2 4.03Å; K265-F267 HydrophobicContact CB-CZ 4.11Å; K265-F267 HydrophobicContact CG-CZ 4.47Å; K265-F267 VanDerWaalsContact O-CD2 3.25Å; K265-F267 WeakPolarHBondContact O-CD2 3.47Å; K265-F267 PolarHBondContact O-N 2.9Å
266	E	85.8	Confident	84.4	Confident	98 Å²	98	62.9 Å²	62.9	46%	0.458	29%	0.288	S	S	.	.			trans	-85	61.6	-180	-68.5	-67	174.5	0	0	110.9	E261 Q264 E268 R269 V270	E261-E266 HydrophobicContact CB-CB 4.4Å; E261-E266 PolarHBondContact O-N 2.95Å; Q264-E266 VanDerWaalsContact C-N 3.28Å; Q264-E266 HydrophobicContact CB-CG 4.33Å; Q264-E266 PolarHBondContact O-N 3.44Å; E266-E268 VanDerWaalsContact C-N 3.29Å; E266-E268 PolarHBondContact O-N 3.08Å; E266-R269 HydrophobicContact CB-CB 4.02Å; E266-R269 WeakPolarHBondContact O-CB 3.23Å; E266-R269 PolarHBondContact O-N 3.48Å; E266-V270 PolarHBondContact O-N 2.85Å
267	F	81.9	Confident	84.1	Confident	69 Å²	69	62.5 Å²	62.5	30%	0.303	28%	0.284	S	S	.	.	H	α-helix	trans	-59.2	-34.3	-169.7	-56.9	-64	0	0	0	114.1	K265 V270 R271 F296 F300	K265-F267 HydrophobicContact CB-CE2 4.03Å; K265-F267 HydrophobicContact CB-CZ 4.11Å; K265-F267 HydrophobicContact CG-CZ 4.47Å; K265-F267 VanDerWaalsContact O-CD2 3.25Å; K265-F267 WeakPolarHBondContact O-CD2 3.47Å; K265-F267 PolarHBondContact O-N 2.9Å; F267-V270 PolarHBondContact O-N 3.16Å; F267-R271 PolarHBondContact O-N 2.96Å; F267-R271 VanDerWaalsContact O-N 3.08Å; F267-F296 HydrophobicContact CB-CZ 4.19Å; F267-F296 AromaticContact CD1-CE2 3.93Å; F267-F296 HydrophobicContact CD1-CE2 3.93Å; F267-F296 HydrophobicContact CD1-CZ 4.06Å; F267-F300 HydrophobicContact CD1-CB 4.13Å; F267-F300 HydrophobicContact CD1-CD1 4.21Å; F267-F300 HydrophobicContact CD1-CD2 4.14Å; F267-F300 AromaticContact CD1-CG 3.91Å; F267-F300 HydrophobicContact CD1-CG 3.91Å; F267-F300 HydrophobicContact CE1-CB 4.3Å; F267-F300 AromaticContact CE1-CD1 3.52Å; F267-F300 HydrophobicContact CE1-CD1 3.52Å; F267-F300 AromaticContact CE1-CD2 3.89Å; F267-F300 HydrophobicContact CE1-CD2 3.89Å; F267-F300 AromaticContact CE1-CE1 3.68Å; F267-F300 HydrophobicContact CE1-CE1 3.68Å; F267-F300 HydrophobicContact CE1-CE2 4.02Å; F267-F300 AromaticContact CE1-CG 3.63Å; F267-F300 HydrophobicContact CE1-CG 3.63Å; F267-F300 AromaticContact CE1-CZ 3.92Å; F267-F300 HydrophobicContact CE1-CZ 3.92Å; F267-F300 AromaticContact CZ-CD1 3.79Å; F267-F300 HydrophobicContact CZ-CD1 3.79Å; F267-F300 AromaticContact CZ-CE1 3.88Å; F267-F300 HydrophobicContact CZ-CE1 3.88Å; F267-F300 HydrophobicContact CZ-CG 4.32Å; F267-F300 HydrophobicContact CZ-CZ 4.48Å
268	E	81.2	Confident	83.5	Confident	158 Å²	158	63.2 Å²	63.2	74%	0.738	29%	0.289	S	S	*	.	H	α-helix	trans	-66.6	-42.1	175.3	-174.8	172	-164.4	0	0	111.5	E266 V270 R271 V272	E266-E268 VanDerWaalsContact C-N 3.29Å; E266-E268 PolarHBondContact O-N 3.08Å; E268-V270 VanDerWaalsContact C-N 3.31Å; E268-V270 PolarHBondContact O-N 2.94Å; E268-R271 WeakPolarHBondContact O-CB 3.48Å; E268-R271 PolarHBondContact O-N 2.96Å; E268-V272 WeakPolarHBondContact O-CG2 3.37Å; E268-V272 PolarHBondContact O-N 3.16Å
269	R	83.1	Confident	83	Confident	86 Å²	86	69 Å²	69	33%	0.325	32%	0.319	S	S	.	.	H	α-helix	trans	-64.3	-36.5	174.5	-171.2	168.8	165	105	-2.5	111.4	E238 E261 E266 V272 I273	E238-R269 IonicContact OE1-CZ 2.92Å; E238-R269 IonicContact OE1-NH1 3.02Å; E238-R269 IonicContact OE1-NH2 3.53Å; E238-R269 PolarHBondContact OE1-NH2 2.7Å; E261-R269 HydrophobicContact CG-CG 4.49Å; E261-R269 IonicContact OE1-CZ 2.74Å; E261-R269 IonicContact OE1-NE 2.73Å; E261-R269 PolarHBondContact OE1-NE 3.06Å; E261-R269 IonicContact OE1-NH2 3.28Å; E261-R269 PolarHBondContact OE1-NH2 3.16Å; E266-R269 HydrophobicContact CB-CB 4.02Å; E266-R269 WeakPolarHBondContact O-CB 3.23Å; E266-R269 PolarHBondContact O-N 3.48Å; R269-V272 PolarHBondContact O-N 3.3Å; R269-I273 HydrophobicContact CG-CD1 4.15Å; R269-I273 WeakPolarHBondContact O-CD1 3.44Å; R269-I273 VanDerWaalsContact O-CG1 3.23Å; R269-I273 WeakPolarHBondContact O-CG1 3.47Å; R269-I273 PolarHBondContact O-N 3.09Å
270	V	84.2	Confident	82.3	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.4	-42.3	172.5	176.6	0	0	0	0	111.8	A258 E261 E266 F267 E268 I273 Y274 F296	A258-V270 HydrophobicContact CB-CG1 4.06Å; A258-V270 WeakPolarHBondContact O-CG2 3.32Å; E261-V270 HydrophobicContact CB-CG2 3.6Å; E266-V270 PolarHBondContact O-N 2.85Å; F267-V270 PolarHBondContact O-N 3.16Å; E268-V270 VanDerWaalsContact C-N 3.31Å; E268-V270 PolarHBondContact O-N 2.94Å; V270-I273 PolarHBondContact O-N 3.43Å; V270-Y274 HydrophobicContact CG1-CD2 3.59Å; V270-Y274 HydrophobicContact CG1-CE2 3.45Å; V270-Y274 VanDerWaalsContact CG1-CE2 3.45Å; V270-Y274 VanDerWaalsContact O-CD2 3.31Å; V270-Y274 WeakPolarHBondContact O-CD2 3.49Å; V270-Y274 PolarHBondContact O-N 2.99Å; V270-F296 HydrophobicContact CB-CE1 4.39Å; V270-F296 HydrophobicContact CB-CE2 3.87Å; V270-F296 HydrophobicContact CB-CZ 3.73Å; V270-F296 HydrophobicContact CG1-CD1 4.16Å; V270-F296 HydrophobicContact CG1-CD2 3.68Å; V270-F296 HydrophobicContact CG1-CE1 3.9Å; V270-F296 HydrophobicContact CG1-CE2 3.37Å; V270-F296 HydrophobicContact CG1-CG 4.08Å; V270-F296 HydrophobicContact CG1-CZ 3.49Å; V270-F296 VanDerWaalsContact CG1-CZ 3.49Å; V270-F296 HydrophobicContact CG2-CE2 4.3Å
271	R	82	Confident	81.5	Confident	78 Å²	78	68.4 Å²	68.4	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-61.6	-44.3	174.1	-72.6	178.1	169.9	152.2	-1.7	112.3	F267 E268 I273 Y274 K275 F296 E297 D302	F267-R271 PolarHBondContact O-N 2.96Å; F267-R271 VanDerWaalsContact O-N 3.08Å; E268-R271 WeakPolarHBondContact O-CB 3.48Å; E268-R271 PolarHBondContact O-N 2.96Å; R271-I273 VanDerWaalsContact C-N 3.34Å; R271-I273 PolarHBondContact O-N 3.4Å; R271-Y274 PolarHBondContact O-N 2.65Å; R271-K275 WeakPolarHBondContact O-CB 3.34Å; R271-K275 PolarHBondContact O-N 3.15Å; R271-F296 HydrophobicContact CG-CE1 3.96Å; R271-E297 VanDerWaalsContact CG-OE1 3.31Å; R271-E297 WeakPolarHBondContact CG-OE1 3.33Å; R271-E297 IonicContact CZ-OE1 2.79Å; R271-E297 IonicContact CZ-OE2 2.74Å; R271-E297 IonicContact NE-OE1 3.24Å; R271-E297 PolarHBondContact NE-OE1 3.33Å; R271-E297 IonicContact NE-OE2 3.4Å; R271-E297 PolarHBondContact NE-OE2 3.05Å; R271-E297 IonicContact NH2-OE1 2.74Å; R271-E297 IonicContact NH2-OE2 3.01Å; R271-E297 PolarHBondContact NH2-OE2 2.99Å; R271-D302 IonicContact NH2-OD2 3.96Å
272	V	85.4	Confident	80.5	Confident	93 Å²	93	72.5 Å²	72.5	56%	0.564	34%	0.344	S	S	*	.	H	α-helix	trans	-61.3	-42.6	175.8	174.6	0	0	0	0	111	E268 R269 K275 Y276	E268-V272 WeakPolarHBondContact O-CG2 3.37Å; E268-V272 PolarHBondContact O-N 3.16Å; R269-V272 PolarHBondContact O-N 3.3Å; V272-K275 PolarHBondContact O-N 3.16Å; V272-Y276 WeakPolarHBondContact O-CB 3.25Å; V272-Y276 PolarHBondContact O-N 2.87Å
273	I	83.9	Confident	79.5	Confident	12 Å²	12	76.2 Å²	76.2	6%	0.062	36%	0.36	C	S	.	.	H	α-helix	trans	-61.1	-49.4	175.9	-69.7	160.3	0	0	0	111.3	F254 F257 A258 E261 R269 V270 R271 K275 Y276 A277	F254-I273 HydrophobicContact CB-CG2 4.46Å; F254-I273 HydrophobicContact CD1-CG2 4.07Å; F257-I273 HydrophobicContact CD1-CD1 3.6Å; F257-I273 HydrophobicContact CD1-CG1 3.91Å; F257-I273 HydrophobicContact CD1-CG2 4.08Å; F257-I273 HydrophobicContact CD2-CD1 4.32Å; F257-I273 HydrophobicContact CE1-CD1 3.48Å; F257-I273 VanDerWaalsContact CE1-CD1 3.48Å; F257-I273 HydrophobicContact CE1-CG1 3.75Å; F257-I273 HydrophobicContact CE2-CD1 4.22Å; F257-I273 HydrophobicContact CG-CD1 4.03Å; F257-I273 HydrophobicContact CZ-CD1 3.81Å; F257-I273 HydrophobicContact CZ-CG1 4.47Å; A258-I273 HydrophobicContact CB-CG2 4.34Å; E261-I273 HydrophobicContact CB-CD1 4.48Å; E261-I273 HydrophobicContact CG-CD1 3.86Å; R269-I273 HydrophobicContact CG-CD1 4.15Å; R269-I273 WeakPolarHBondContact O-CD1 3.44Å; R269-I273 VanDerWaalsContact O-CG1 3.23Å; R269-I273 WeakPolarHBondContact O-CG1 3.47Å; R269-I273 PolarHBondContact O-N 3.09Å; V270-I273 PolarHBondContact O-N 3.43Å; R271-I273 VanDerWaalsContact C-N 3.34Å; R271-I273 PolarHBondContact O-N 3.4Å; I273-K275 PolarHBondContact O-N 3.08Å; I273-Y276 PolarHBondContact O-N 3.3Å; I273-A277 VanDerWaalsContact O-CB 3.27Å; I273-A277 WeakPolarHBondContact O-CB 3.23Å; I273-A277 PolarHBondContact O-N 2.9Å
274	Y	82.6	Confident	78.4	Confident	3 Å²	3	78 Å²	78	1%	0.012	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-41.9	179	-82.3	-62.9	0	0	0	112.4	A258 V270 R271 A277 L278 L289 N292 Y293 F296	A258-Y274 HydrophobicContact CB-CD2 4.32Å; A258-Y274 HydrophobicContact CB-CE1 4.25Å; A258-Y274 HydrophobicContact CB-CE2 3.69Å; V270-Y274 HydrophobicContact CG1-CD2 3.59Å; V270-Y274 HydrophobicContact CG1-CE2 3.45Å; V270-Y274 VanDerWaalsContact CG1-CE2 3.45Å; V270-Y274 VanDerWaalsContact O-CD2 3.31Å; V270-Y274 WeakPolarHBondContact O-CD2 3.49Å; V270-Y274 PolarHBondContact O-N 2.99Å; R271-Y274 PolarHBondContact O-N 2.65Å; Y274-A277 PolarHBondContact O-N 2.9Å; Y274-L278 WeakPolarHBondContact O-CB 3.48Å; Y274-L278 VanDerWaalsContact O-CG 3.26Å; Y274-L278 WeakPolarHBondContact O-CG 3.45Å; Y274-L278 PolarHBondContact O-N 3.41Å; Y274-L289 HydrophobicContact CD1-CD1 3.72Å; Y274-L289 HydrophobicContact CD1-CG 4.16Å; Y274-L289 HydrophobicContact CE1-CD1 3.8Å; Y274-L289 HydrophobicContact CE1-CG 4.48Å; Y274-N292 HydrophobicContact CE1-CB 4.28Å; Y274-Y293 HydrophobicContact CD1-CD2 4.16Å; Y274-Y293 HydrophobicContact CD1-CG 4.04Å; Y274-Y293 AromaticContact CD2-CD2 3.39Å; Y274-Y293 HydrophobicContact CD2-CD2 3.39Å; Y274-Y293 HydrophobicContact CD2-CE2 4.02Å; Y274-Y293 HydrophobicContact CD2-CG 4.11Å; Y274-Y293 HydrophobicContact CE2-CD2 4Å; Y274-Y293 AromaticContact CG-CD2 3.48Å; Y274-Y293 HydrophobicContact CG-CD2 3.48Å; Y274-Y293 VanDerWaalsContact CG-CD2 3.48Å; Y274-Y293 HydrophobicContact CG-CE2 4.18Å; Y274-Y293 AromaticContact CG-CG 3.77Å; Y274-Y293 HydrophobicContact CG-CG 3.77Å; Y274-F296 HydrophobicContact CD2-CD1 4.42Å; Y274-F296 HydrophobicContact CE2-CB 3.94Å; Y274-F296 HydrophobicContact CE2-CD1 4.28Å; Y274-F296 HydrophobicContact CE2-CD2 4.45Å; Y274-F296 AromaticContact CE2-CG 3.96Å; Y274-F296 HydrophobicContact CE2-CG 3.96Å
275	K	81.9	Confident	77.3	Confident	131 Å²	131	80.1 Å²	80.1	57%	0.57	37%	0.371	S	S	*	.	H	α-helix	trans	-62.9	-50.8	175.7	-178.4	174.4	179.2	178.8	0	111.7	R271 V272 I273 A277 L278 D279	R271-K275 WeakPolarHBondContact O-CB 3.34Å; R271-K275 PolarHBondContact O-N 3.15Å; V272-K275 PolarHBondContact O-N 3.16Å; I273-K275 PolarHBondContact O-N 3.08Å; K275-A277 PolarHBondContact O-N 3.31Å; K275-L278 PolarHBondContact O-N 3.25Å; K275-L278 VanDerWaalsContact O-N 3.08Å; K275-D279 WeakPolarHBondContact CE-OD2 3.19Å; K275-D279 WeakPolarHBondContact CG-OD2 3.01Å; K275-D279 WeakPolarHBondContact O-CB 3.48Å; K275-D279 PolarHBondContact O-N 3.49Å
276	Y	82.8	Confident	76.3	Confident	91 Å²	91	72.8 Å²	72.8	36%	0.357	34%	0.339	S	S	.	.	H	α-helix	trans	-57.7	-37	178.6	178.9	-93.1	0	0	0	112.6	V241 F254 V272 I273 R280	V241-Y276 HydrophobicContact CG1-CE1 4Å; F254-Y276 AromaticContact CE1-CD1 3.9Å; F254-Y276 HydrophobicContact CE1-CD1 3.9Å; F254-Y276 HydrophobicContact CE1-CE1 4.11Å; F254-Y276 HydrophobicContact CZ-CD1 4.05Å; F254-Y276 HydrophobicContact CZ-CE1 4.12Å; V272-Y276 WeakPolarHBondContact O-CB 3.25Å; V272-Y276 PolarHBondContact O-N 2.87Å; I273-Y276 PolarHBondContact O-N 3.3Å; Y276-R280 VanDerWaalsContact CE2-NE 3.3Å; Y276-R280 VanDerWaalsContact CZ-NE 3.34Å; Y276-R280 WeakPolarHBondContact O-CB 3.43Å; Y276-R280 WeakPolarHBondContact O-CD 3.32Å; Y276-R280 VanDerWaalsContact O-CG 3.32Å; Y276-R280 WeakPolarHBondContact O-CG 3.48Å; Y276-R280 PolarHBondContact O-N 3.47Å; Y276-R280 PolarHBondContact OH-NH1 3.46Å
277	A	78.8	Confident	75.5	Confident	0 Å²	0	73 Å²	73	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-70.1	-42	174.4	0	0	0	0	0	112.7	F254 I273 Y274 K275 R280 I281 L289	F254-A277 HydrophobicContact CB-CB 3.92Å; F254-A277 HydrophobicContact CD1-CB 3.92Å; F254-A277 HydrophobicContact CD2-CB 3.36Å; F254-A277 HydrophobicContact CE1-CB 4.21Å; F254-A277 HydrophobicContact CE2-CB 3.66Å; F254-A277 HydrophobicContact CG-CB 3.48Å; F254-A277 VanDerWaalsContact CG-CB 3.48Å; F254-A277 HydrophobicContact CZ-CB 4.08Å; I273-A277 VanDerWaalsContact O-CB 3.27Å; I273-A277 WeakPolarHBondContact O-CB 3.23Å; I273-A277 PolarHBondContact O-N 2.9Å; Y274-A277 PolarHBondContact O-N 2.9Å; K275-A277 PolarHBondContact O-N 3.31Å; A277-R280 PolarHBondContact O-N 2.95Å; A277-I281 WeakPolarHBondContact O-CB 3.48Å; A277-I281 WeakPolarHBondContact O-CG1 3.49Å; A277-I281 PolarHBondContact O-N 3.32Å; A277-L289 HydrophobicContact CB-CD1 4.29Å; A277-L289 HydrophobicContact CB-CD2 3.57Å
278	L	74.7	Confident	75	Confident	29 Å²	29	74.3 Å²	74.3	15%	0.152	35%	0.347	C	S	.	.	H	α-helix	trans	-69.9	-31.1	177.6	-74.4	168.6	0	0	0	113.7	Y274 K275 R280 A286 L289 F290 Y293	Y274-L278 WeakPolarHBondContact O-CB 3.48Å; Y274-L278 VanDerWaalsContact O-CG 3.26Å; Y274-L278 WeakPolarHBondContact O-CG 3.45Å; Y274-L278 PolarHBondContact O-N 3.41Å; K275-L278 PolarHBondContact O-N 3.25Å; K275-L278 VanDerWaalsContact O-N 3.08Å; L278-R280 VanDerWaalsContact C-N 3.26Å; L278-R280 PolarHBondContact O-N 3.49Å; L278-A286 HydrophobicContact CD2-CB 4.08Å; L278-L289 HydrophobicContact CD2-CD2 3.79Å; L278-L289 HydrophobicContact CD2-CG 4.38Å; L278-L289 HydrophobicContact CG-CD2 3.84Å; L278-F290 HydrophobicContact CD1-CD1 4.36Å; L278-F290 HydrophobicContact CD1-CE1 4.08Å; L278-F290 HydrophobicContact CD2-CD1 3.98Å; L278-F290 HydrophobicContact CD2-CD2 3.98Å; L278-F290 HydrophobicContact CD2-CE1 3.75Å; L278-F290 HydrophobicContact CD2-CE2 3.74Å; L278-F290 HydrophobicContact CD2-CG 4.09Å; L278-F290 HydrophobicContact CD2-CZ 3.63Å; L278-Y293 HydrophobicContact CD1-CD1 3.84Å; L278-Y293 HydrophobicContact CD1-CE1 4.18Å
279	D	75.2	Confident	74.7	Confident	120 Å²	120	66.8 Å²	66.8	64%	0.642	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-17.2	175.9	-70.7	-24.5	0	0	0	112.2	K275	K275-D279 WeakPolarHBondContact CE-OD2 3.19Å; K275-D279 WeakPolarHBondContact CG-OD2 3.01Å; K275-D279 WeakPolarHBondContact O-CB 3.48Å; K275-D279 PolarHBondContact O-N 3.49Å
280	R	70.8	Confident	74.1	Confident	99 Å²	99	63.6 Å²	63.6	37%	0.374	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-39.3	-174.7	-70.3	177.2	173.4	-117.9	-25.7	114.7	E246 Y276 A277 L278	E246-R280 IonicContact OE1-CZ 3.6Å; E246-R280 IonicContact OE1-NH1 3.38Å; E246-R280 PolarHBondContact OE1-NH1 3.38Å; E246-R280 IonicContact OE1-NH2 2.77Å; E246-R280 PolarHBondContact OE1-NH2 3.14Å; Y276-R280 VanDerWaalsContact CE2-NE 3.3Å; Y276-R280 VanDerWaalsContact CZ-NE 3.34Å; Y276-R280 WeakPolarHBondContact O-CB 3.43Å; Y276-R280 WeakPolarHBondContact O-CD 3.32Å; Y276-R280 VanDerWaalsContact O-CG 3.32Å; Y276-R280 WeakPolarHBondContact O-CG 3.48Å; Y276-R280 PolarHBondContact O-N 3.47Å; Y276-R280 PolarHBondContact OH-NH1 3.46Å; A277-R280 PolarHBondContact O-N 2.95Å; L278-R280 VanDerWaalsContact C-N 3.26Å; L278-R280 PolarHBondContact O-N 3.49Å
281	I	70.4	Confident	73.8	Confident	9 Å²	9	70 Å²	70	5%	0.046	33%	0.329	C	S	.	.	S	Bend	trans	-77.6	133.1	-177.1	-69.4	174.9	0	0	0	110.5	E251 F254 A277 K283 Q285 A286 L289	E251-I281 HydrophobicContact CG-CD1 4.05Å; E251-I281 HydrophobicContact CG-CG2 4.49Å; F254-I281 HydrophobicContact CD2-CD1 3.67Å; F254-I281 HydrophobicContact CE2-CD1 3.8Å; F254-I281 HydrophobicContact CE2-CG1 4.31Å; A277-I281 WeakPolarHBondContact O-CB 3.48Å; A277-I281 WeakPolarHBondContact O-CG1 3.49Å; A277-I281 PolarHBondContact O-N 3.32Å; I281-K283 PolarHBondContact O-N 3.46Å; I281-K283 VanDerWaalsContact O-N 3.16Å; I281-Q285 HydrophobicContact CG2-CB 3.93Å; I281-A286 HydrophobicContact CG2-CB 3.99Å; I281-L289 HydrophobicContact CD1-CD2 4.37Å
282	P	67.1	Low	73.4	Confident	85 Å²	85	67.4 Å²	67.4	55%	0.552	32%	0.32	S	S	*	.			trans	-53.8	120.6	171.5	-27	35.8	0	0	0	111.7	H284 Q285	P282-H284 PolarHBondContact O-N 3.31Å; P282-Q285 PolarHBondContact O-N 2.86Å
283	K	63.7	Low	72.8	Confident	121 Å²	121	64.4 Å²	64.4	53%	0.526	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-28.6	-164.4	-59.9	179.9	-179	178.8	0	115.8	I281 Q285 A286 F316	I281-K283 PolarHBondContact O-N 3.46Å; I281-K283 VanDerWaalsContact O-N 3.16Å; K283-Q285 VanDerWaalsContact C-N 3.33Å; K283-Q285 PolarHBondContact O-N 3.13Å; K283-A286 PolarHBondContact O-N 3.03Å; K283-F316 VanDerWaalsContact C-CZ 3.47Å; K283-F316 HydrophobicContact CB-CD2 3.97Å; K283-F316 HydrophobicContact CB-CE1 4.29Å; K283-F316 HydrophobicContact CB-CE2 3.37Å; K283-F316 HydrophobicContact CB-CZ 3.55Å; K283-F316 HydrophobicContact CD-CD2 4.04Å; K283-F316 HydrophobicContact CD-CE2 4.12Å; K283-F316 HydrophobicContact CG-CE2 4.38Å; K283-F316 WeakPolarHBondContact O-CE1 3.38Å; K283-F316 WeakPolarHBondContact O-CZ 3.31Å
284	H	62.3	Low	72.4	Confident	136 Å²	136	64.7 Å²	64.7	63%	0.63	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-33.7	175	177.3	-75.6	0	0	0	113.1	P282 E320	P282-H284 PolarHBondContact O-N 3.31Å; H284-E320 IonicContact CD2-OE1 3.47Å
285	Q	61.1	Low	72.1	Confident	109 Å²	109	69.4 Å²	69.4	51%	0.509	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-49.4	173.3	-72.2	172.4	-25.9	0	0	109.8	E251 I281 P282 K283 Q287	E251-Q285 VanDerWaalsContact OE2-O 3.1Å; I281-Q285 HydrophobicContact CG2-CB 3.93Å; P282-Q285 PolarHBondContact O-N 2.86Å; K283-Q285 VanDerWaalsContact C-N 3.33Å; K283-Q285 PolarHBondContact O-N 3.13Å; Q285-Q287 PolarHBondContact O-N 3.07Å
286	A	62.7	Low	72	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.008	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	8.2	-173.4	0	0	0	0	0	117.7	E251 L278 I281 K283 E288 L289 F290	E251-A286 VanDerWaalsContact OE2-CA 3.3Å; E251-A286 WeakPolarHBondContact OE2-CA 3.3Å; L278-A286 HydrophobicContact CD2-CB 4.08Å; I281-A286 HydrophobicContact CG2-CB 3.99Å; K283-A286 PolarHBondContact O-N 3.03Å; A286-E288 VanDerWaalsContact C-N 3.34Å; A286-E288 PolarHBondContact O-N 3.36Å; A286-L289 HydrophobicContact CB-CB 4.25Å; A286-L289 HydrophobicContact CB-CD2 4.37Å; A286-L289 WeakPolarHBondContact O-CB 3.42Å; A286-L289 PolarHBondContact O-N 3.18Å; A286-F290 HydrophobicContact CB-CD2 4.3Å; A286-F290 HydrophobicContact CB-CE2 4.44Å; A286-F290 WeakPolarHBondContact O-CB 3.17Å; A286-F290 WeakPolarHBondContact O-CD2 3.26Å; A286-F290 PolarHBondContact O-N 3.37Å
287	Q	70.4	Confident	71.6	Confident	103 Å²	103	59.1 Å²	59.1	48%	0.481	28%	0.282	S	S	.	.	H	α-helix	trans	-60.5	-36.9	174.3	-65	-170.8	-0	0	0	112.8	Q285 K291 F316 E320	Q285-Q287 PolarHBondContact O-N 3.07Å; Q287-K291 WeakPolarHBondContact O-CB 3.49Å; Q287-K291 PolarHBondContact O-N 3.06Å; Q287-F316 HydrophobicContact CG-CE1 4.49Å; Q287-E320 PolarHBondContact NE2-OE2 3.44Å
288	E	70.9	Confident	71.6	Confident	97 Å²	97	65.4 Å²	65.4	45%	0.453	31%	0.309	S	S	.	.	H	α-helix	trans	-74.3	-38.7	173.5	175.8	158.6	-170.4	0	0	111.1	E251 A286 F290 K291 N292	E251-E288 PolarHBondContact OE2-N 3Å; A286-E288 VanDerWaalsContact C-N 3.34Å; A286-E288 PolarHBondContact O-N 3.36Å; E288-F290 PolarHBondContact O-N 2.77Å; E288-K291 WeakPolarHBondContact O-CB 3.42Å; E288-K291 PolarHBondContact O-N 3.31Å; E288-K291 VanDerWaalsContact O-N 3.17Å; E288-N292 WeakPolarHBondContact CG-ND2 3.46Å; E288-N292 PolarHBondContact O-N 3.01Å; E288-N292 PolarHBondContact O-ND2 3.04Å; E288-N292 PolarHBondContact OE1-ND2 2.9Å
289	L	74.1	Confident	71.7	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-57.4	-48.2	172.2	-170.8	72.3	0	0	0	111.5	E251 F254 V255 Y274 A277 L278 I281 A286 K291 N292 Y293	E251-L289 HydrophobicContact CG-CB 4.25Å; E251-L289 PolarHBondContact OE2-N 3.03Å; F254-L289 HydrophobicContact CB-CD1 4.13Å; V255-L289 HydrophobicContact CG2-CD1 3.95Å; Y274-L289 HydrophobicContact CD1-CD1 3.72Å; Y274-L289 HydrophobicContact CD1-CG 4.16Å; Y274-L289 HydrophobicContact CE1-CD1 3.8Å; Y274-L289 HydrophobicContact CE1-CG 4.48Å; A277-L289 HydrophobicContact CB-CD1 4.29Å; A277-L289 HydrophobicContact CB-CD2 3.57Å; L278-L289 HydrophobicContact CD2-CD2 3.79Å; L278-L289 HydrophobicContact CD2-CG 4.38Å; L278-L289 HydrophobicContact CG-CD2 3.84Å; I281-L289 HydrophobicContact CD1-CD2 4.37Å; A286-L289 HydrophobicContact CB-CB 4.25Å; A286-L289 HydrophobicContact CB-CD2 4.37Å; A286-L289 WeakPolarHBondContact O-CB 3.42Å; A286-L289 PolarHBondContact O-N 3.18Å; L289-K291 VanDerWaalsContact C-N 3.33Å; L289-K291 PolarHBondContact O-N 3.08Å; L289-N292 PolarHBondContact O-N 3.38Å; L289-Y293 WeakPolarHBondContact O-CB 3.48Å; L289-Y293 PolarHBondContact O-N 2.61Å
290	F	71.3	Confident	71.4	Confident	18 Å²	18	68.1 Å²	68.1	8%	0.079	31%	0.314	C	S	.	.	H	α-helix	trans	-59.1	-39.8	173.4	-86.4	-63.5	0	0	0	112.3	L278 A286 E288 T294 K313 F316	L278-F290 HydrophobicContact CD1-CD1 4.36Å; L278-F290 HydrophobicContact CD1-CE1 4.08Å; L278-F290 HydrophobicContact CD2-CD1 3.98Å; L278-F290 HydrophobicContact CD2-CD2 3.98Å; L278-F290 HydrophobicContact CD2-CE1 3.75Å; L278-F290 HydrophobicContact CD2-CE2 3.74Å; L278-F290 HydrophobicContact CD2-CG 4.09Å; L278-F290 HydrophobicContact CD2-CZ 3.63Å; A286-F290 HydrophobicContact CB-CD2 4.3Å; A286-F290 HydrophobicContact CB-CE2 4.44Å; A286-F290 WeakPolarHBondContact O-CB 3.17Å; A286-F290 WeakPolarHBondContact O-CD2 3.26Å; A286-F290 PolarHBondContact O-N 3.37Å; E288-F290 PolarHBondContact O-N 2.77Å; F290-T294 WeakPolarHBondContact O-CB 3.39Å; F290-T294 PolarHBondContact O-N 2.96Å; F290-T294 PolarHBondContact O-OG1 3Å; F290-K313 HydrophobicContact CB-CD 4.48Å; F290-K313 HydrophobicContact CD1-CB 4.39Å; F290-F316 HydrophobicContact CE2-CD1 4.46Å
291	K	77.2	Confident	71.4	Confident	136 Å²	136	64.4 Å²	64.4	59%	0.591	31%	0.307	S	S	*	.	H	α-helix	trans	-64.4	-45.6	176.2	-177	-177.2	177.9	-176	0	111.2	Q287 E288 L289 M295	Q287-K291 WeakPolarHBondContact O-CB 3.49Å; Q287-K291 PolarHBondContact O-N 3.06Å; E288-K291 WeakPolarHBondContact O-CB 3.42Å; E288-K291 PolarHBondContact O-N 3.31Å; E288-K291 VanDerWaalsContact O-N 3.17Å; L289-K291 VanDerWaalsContact C-N 3.33Å; L289-K291 PolarHBondContact O-N 3.08Å; K291-M295 VanDerWaalsContact O-CG 3.3Å; K291-M295 WeakPolarHBondContact O-CG 3.41Å; K291-M295 PolarHBondContact O-N 2.83Å
292	N	73.9	Confident	71.3	Confident	22 Å²	22	69.2 Å²	69.2	12%	0.118	33%	0.333	C	S	.	.	H	α-helix	trans	-66.1	-41.3	176.6	-77.5	-77	0	0	0	111.7	V255 R259 Y274 E288 L289 M295 F296	V255-N292 HydrophobicContact CG1-CB 4.48Å; V255-N292 HydrophobicContact CG2-CB 4.18Å; R259-N292 PolarHBondContact NH2-OD1 2.79Å; Y274-N292 HydrophobicContact CE1-CB 4.28Å; E288-N292 WeakPolarHBondContact CG-ND2 3.46Å; E288-N292 PolarHBondContact O-N 3.01Å; E288-N292 PolarHBondContact O-ND2 3.04Å; E288-N292 PolarHBondContact OE1-ND2 2.9Å; L289-N292 PolarHBondContact O-N 3.38Å; N292-M295 CarbonylContact O-C 3.58Å; N292-M295 PolarHBondContact O-N 2.96Å; N292-F296 PolarHBondContact O-N 2.79Å
293	Y	73	Confident	71.3	Confident	31 Å²	31	74.3 Å²	74.3	12%	0.122	34%	0.341	C	S	.	.	H	α-helix	trans	-66.8	-41.5	177.1	-173.4	-145	0	0	0	112.4	Y274 L278 L289 M295 F296 E297 V309	Y274-Y293 HydrophobicContact CD1-CD2 4.16Å; Y274-Y293 HydrophobicContact CD1-CG 4.04Å; Y274-Y293 AromaticContact CD2-CD2 3.39Å; Y274-Y293 HydrophobicContact CD2-CD2 3.39Å; Y274-Y293 HydrophobicContact CD2-CE2 4.02Å; Y274-Y293 HydrophobicContact CD2-CG 4.11Å; Y274-Y293 HydrophobicContact CE2-CD2 4Å; Y274-Y293 AromaticContact CG-CD2 3.48Å; Y274-Y293 HydrophobicContact CG-CD2 3.48Å; Y274-Y293 VanDerWaalsContact CG-CD2 3.48Å; Y274-Y293 HydrophobicContact CG-CE2 4.18Å; Y274-Y293 AromaticContact CG-CG 3.77Å; Y274-Y293 HydrophobicContact CG-CG 3.77Å; L278-Y293 HydrophobicContact CD1-CD1 3.84Å; L278-Y293 HydrophobicContact CD1-CE1 4.18Å; L289-Y293 WeakPolarHBondContact O-CB 3.48Å; L289-Y293 PolarHBondContact O-N 2.61Å; Y293-M295 VanDerWaalsContact C-N 3.27Å; Y293-M295 PolarHBondContact O-N 3.35Å; Y293-F296 HydrophobicContact CD2-CD1 4.12Å; Y293-F296 HydrophobicContact CE2-CD1 4.15Å; Y293-F296 WeakPolarHBondContact O-CB 3.33Å; Y293-F296 PolarHBondContact O-N 3.26Å; Y293-F296 VanDerWaalsContact O-N 3.07Å; Y293-E297 HydrophobicContact CD2-CG 4.12Å; Y293-E297 HydrophobicContact CE2-CG 3.6Å; Y293-E297 VanDerWaalsContact CE2-OE1 3.32Å; Y293-E297 WeakPolarHBondContact CE2-OE1 3.17Å; Y293-E297 PolarHBondContact O-N 3.32Å; Y293-E297 PolarHBondContact OH-OE1 2.74Å; Y293-V309 HydrophobicContact CD1-CG1 3.73Å; Y293-V309 HydrophobicContact CD1-CG2 4.18Å; Y293-V309 HydrophobicContact CE1-CB 4.32Å; Y293-V309 HydrophobicContact CE1-CG1 3.84Å; Y293-V309 HydrophobicContact CE1-CG2 3.4Å; Y293-V309 VanDerWaalsContact CE1-CG2 3.4Å; Y293-V309 HydrophobicContact CG-CG1 4.45Å
294	T	74.8	Confident	71.4	Confident	18 Å²	18	78 Å²	78	11%	0.11	35%	0.352	C	S	.	.	H	α-helix	trans	-58.9	-39.7	171.4	-54.1	0	0	0	0	111.1	F290 F296 K298	F290-T294 WeakPolarHBondContact O-CB 3.39Å; F290-T294 PolarHBondContact O-N 2.96Å; F290-T294 PolarHBondContact O-OG1 3Å; T294-F296 VanDerWaalsContact C-N 3.34Å; T294-K298 HydrophobicContact CG2-CD 4.27Å; T294-K298 VanDerWaalsContact O-CB 3.27Å; T294-K298 WeakPolarHBondContact O-CB 3.13Å; T294-K298 WeakPolarHBondContact O-CG 3.45Å; T294-K298 PolarHBondContact O-N 3.23Å
295	M	77.9	Confident	71.6	Confident	102 Å²	102	72.6 Å²	72.6	50%	0.502	33%	0.333	S	S	.	.	H	α-helix	trans	-72.7	-25.7	176.4	-72.5	-62	-62.9	0	0	113.1	K291 N292 Y293 K299	K291-M295 VanDerWaalsContact O-CG 3.3Å; K291-M295 WeakPolarHBondContact O-CG 3.41Å; K291-M295 PolarHBondContact O-N 2.83Å; N292-M295 CarbonylContact O-C 3.58Å; N292-M295 PolarHBondContact O-N 2.96Å; Y293-M295 VanDerWaalsContact C-N 3.27Å; Y293-M295 PolarHBondContact O-N 3.35Å; M295-K299 VanDerWaalsContact O-CG 3.31Å; M295-K299 WeakPolarHBondContact O-CG 3.47Å; M295-K299 PolarHBondContact O-N 2.92Å
296	F	78.4	Confident	71.9	Confident	3 Å²	3	69.4 Å²	69.4	1%	0.013	32%	0.318	C	S	.	.	H	α-helix	trans	-72.9	-54.3	173.6	171.6	-95.3	0	0	0	111.5	F267 V270 R271 Y274 N292 Y293 T294 K298 K299 F300	F267-F296 HydrophobicContact CB-CZ 4.19Å; F267-F296 AromaticContact CD1-CE2 3.93Å; F267-F296 HydrophobicContact CD1-CE2 3.93Å; F267-F296 HydrophobicContact CD1-CZ 4.06Å; V270-F296 HydrophobicContact CB-CE1 4.39Å; V270-F296 HydrophobicContact CB-CE2 3.87Å; V270-F296 HydrophobicContact CB-CZ 3.73Å; V270-F296 HydrophobicContact CG1-CD1 4.16Å; V270-F296 HydrophobicContact CG1-CD2 3.68Å; V270-F296 HydrophobicContact CG1-CE1 3.9Å; V270-F296 HydrophobicContact CG1-CE2 3.37Å; V270-F296 HydrophobicContact CG1-CG 4.08Å; V270-F296 HydrophobicContact CG1-CZ 3.49Å; V270-F296 VanDerWaalsContact CG1-CZ 3.49Å; V270-F296 HydrophobicContact CG2-CE2 4.3Å; R271-F296 HydrophobicContact CG-CE1 3.96Å; Y274-F296 HydrophobicContact CD2-CD1 4.42Å; Y274-F296 HydrophobicContact CE2-CB 3.94Å; Y274-F296 HydrophobicContact CE2-CD1 4.28Å; Y274-F296 HydrophobicContact CE2-CD2 4.45Å; Y274-F296 AromaticContact CE2-CG 3.96Å; Y274-F296 HydrophobicContact CE2-CG 3.96Å; N292-F296 PolarHBondContact O-N 2.79Å; Y293-F296 HydrophobicContact CD2-CD1 4.12Å; Y293-F296 HydrophobicContact CE2-CD1 4.15Å; Y293-F296 WeakPolarHBondContact O-CB 3.33Å; Y293-F296 PolarHBondContact O-N 3.26Å; Y293-F296 VanDerWaalsContact O-N 3.07Å; T294-F296 VanDerWaalsContact C-N 3.34Å; F296-K298 PolarHBondContact O-N 2.9Å; F296-K299 WeakPolarHBondContact O-CB 3.32Å; F296-K299 PolarHBondContact O-N 3.1Å; F296-F300 AromaticContact CD2-CD2 3.72Å; F296-F300 HydrophobicContact CD2-CD2 3.72Å; F296-F300 HydrophobicContact CD2-CE2 4.26Å; F296-F300 HydrophobicContact CE2-CB 4.48Å; F296-F300 AromaticContact CE2-CD2 3.64Å; F296-F300 HydrophobicContact CE2-CD2 3.64Å; F296-F300 HydrophobicContact CE2-CE2 4.32Å; F296-F300 HydrophobicContact CE2-CG 4.42Å; F296-F300 HydrophobicContact CZ-CB 4.44Å; F296-F300 HydrophobicContact CZ-CD2 4.4Å; F296-F300 PolarHBondContact O-N 2.86Å
297	E	74.1	Confident	72.1	Confident	3 Å²	3	73.1 Å²	73.1	1%	0.014	34%	0.336	C	S	.	.	H	α-helix	trans	-64.7	-29.9	177.7	-64.6	-64.5	162.5	0	0	111.3	R271 Y293 K299 G301 I306	R271-E297 VanDerWaalsContact CG-OE1 3.31Å; R271-E297 WeakPolarHBondContact CG-OE1 3.33Å; R271-E297 IonicContact CZ-OE1 2.79Å; R271-E297 IonicContact CZ-OE2 2.74Å; R271-E297 IonicContact NE-OE1 3.24Å; R271-E297 PolarHBondContact NE-OE1 3.33Å; R271-E297 IonicContact NE-OE2 3.4Å; R271-E297 PolarHBondContact NE-OE2 3.05Å; R271-E297 IonicContact NH2-OE1 2.74Å; R271-E297 IonicContact NH2-OE2 3.01Å; R271-E297 PolarHBondContact NH2-OE2 2.99Å; Y293-E297 HydrophobicContact CD2-CG 4.12Å; Y293-E297 HydrophobicContact CE2-CG 3.6Å; Y293-E297 VanDerWaalsContact CE2-OE1 3.32Å; Y293-E297 WeakPolarHBondContact CE2-OE1 3.17Å; Y293-E297 PolarHBondContact O-N 3.32Å; Y293-E297 PolarHBondContact OH-OE1 2.74Å; E297-K299 PolarHBondContact O-N 2.86Å; E297-G301 WeakPolarHBondContact O-CA 3.36Å; E297-G301 PolarHBondContact O-N 3.18Å; E297-G301 WeakPolarHBondContact OE2-CA 3.49Å; E297-I306 HydrophobicContact CB-CG1 3.89Å; E297-I306 WeakPolarHBondContact O-CD1 3.43Å; E297-I306 WeakPolarHBondContact O-CG1 3.25Å
298	K	79.1	Confident	72	Confident	132 Å²	132	73.3 Å²	73.3	57%	0.574	34%	0.34	S	S	*	.	H	α-helix	trans	-65	-19.7	169.9	-80.9	-179	176.5	-169.3	0	115.2	T294 F296	T294-K298 HydrophobicContact CG2-CD 4.27Å; T294-K298 VanDerWaalsContact O-CB 3.27Å; T294-K298 WeakPolarHBondContact O-CB 3.13Å; T294-K298 WeakPolarHBondContact O-CG 3.45Å; T294-K298 PolarHBondContact O-N 3.23Å; F296-K298 PolarHBondContact O-N 2.9Å
299	K	76.8	Confident	71.9	Confident	121 Å²	121	69.2 Å²	69.2	53%	0.526	32%	0.322	S	S	.	.	H	α-helix	trans	-95.5	-37.7	177	-73.9	169	172.2	-179.4	0	112.9	E262 M295 F296 E297	E262-K299 IonicContact OE1-NZ 3.27Å; E262-K299 PolarHBondContact OE1-NZ 3.19Å; E262-K299 IonicContact OE2-NZ 3.74Å; M295-K299 VanDerWaalsContact O-CG 3.31Å; M295-K299 WeakPolarHBondContact O-CG 3.47Å; M295-K299 PolarHBondContact O-N 2.92Å; F296-K299 WeakPolarHBondContact O-CB 3.32Å; F296-K299 PolarHBondContact O-N 3.1Å; E297-K299 PolarHBondContact O-N 2.86Å
300	F	70.3	Confident	71.7	Confident	84 Å²	84	71.5 Å²	71.5	37%	0.368	33%	0.334	S	S	.	.	H	α-helix	trans	-133.5	6.5	-166	-52.2	-69.3	0	0	0	113.8	E262 F267 F296	E262-F300 HydrophobicContact CG-CE2 3.79Å; E262-F300 HydrophobicContact CG-CZ 4.19Å; E262-F300 WeakPolarHBondContact OE1-CE2 3.18Å; F267-F300 HydrophobicContact CD1-CB 4.13Å; F267-F300 HydrophobicContact CD1-CD1 4.21Å; F267-F300 HydrophobicContact CD1-CD2 4.14Å; F267-F300 AromaticContact CD1-CG 3.91Å; F267-F300 HydrophobicContact CD1-CG 3.91Å; F267-F300 HydrophobicContact CE1-CB 4.3Å; F267-F300 AromaticContact CE1-CD1 3.52Å; F267-F300 HydrophobicContact CE1-CD1 3.52Å; F267-F300 AromaticContact CE1-CD2 3.89Å; F267-F300 HydrophobicContact CE1-CD2 3.89Å; F267-F300 AromaticContact CE1-CE1 3.68Å; F267-F300 HydrophobicContact CE1-CE1 3.68Å; F267-F300 HydrophobicContact CE1-CE2 4.02Å; F267-F300 AromaticContact CE1-CG 3.63Å; F267-F300 HydrophobicContact CE1-CG 3.63Å; F267-F300 AromaticContact CE1-CZ 3.92Å; F267-F300 HydrophobicContact CE1-CZ 3.92Å; F267-F300 AromaticContact CZ-CD1 3.79Å; F267-F300 HydrophobicContact CZ-CD1 3.79Å; F267-F300 AromaticContact CZ-CE1 3.88Å; F267-F300 HydrophobicContact CZ-CE1 3.88Å; F267-F300 HydrophobicContact CZ-CG 4.32Å; F267-F300 HydrophobicContact CZ-CZ 4.48Å; F296-F300 AromaticContact CD2-CD2 3.72Å; F296-F300 HydrophobicContact CD2-CD2 3.72Å; F296-F300 HydrophobicContact CD2-CE2 4.26Å; F296-F300 HydrophobicContact CE2-CB 4.48Å; F296-F300 AromaticContact CE2-CD2 3.64Å; F296-F300 HydrophobicContact CE2-CD2 3.64Å; F296-F300 HydrophobicContact CE2-CE2 4.32Å; F296-F300 HydrophobicContact CE2-CG 4.42Å; F296-F300 HydrophobicContact CZ-CB 4.44Å; F296-F300 HydrophobicContact CZ-CD2 4.4Å; F296-F300 PolarHBondContact O-N 2.86Å
301	G	69.7	Low	71.7	Confident	22 Å²	22	72 Å²	72	23%	0.227	34%	0.338	C	S	.	.			trans	-96.1	152.3	-171.1	0	0	0	0	0	115.1	E297	E297-G301 WeakPolarHBondContact O-CA 3.36Å; E297-G301 PolarHBondContact O-N 3.18Å; E297-G301 WeakPolarHBondContact OE2-CA 3.49Å
302	D	69.6	Low	71.3	Confident	110 Å²	110	68.2 Å²	68.2	59%	0.588	33%	0.328	S	S	*	.			trans	-76.9	145.6	166.9	-64.5	-74.7	0	0	0	109.8	R271 R304 G305 I306	R271-D302 IonicContact NH2-OD2 3.96Å; D302-R304 PolarHBondContact O-N 3.09Å; D302-G305 PolarHBondContact O-N 3.14Å; D302-I306 WeakPolarHBondContact O-CG1 3.46Å; D302-I306 PolarHBondContact O-N 3.42Å
303	R	66.1	Low	71.2	Confident	191 Å²	191	70.7 Å²	70.7	72%	0.721	34%	0.338	S	S	*	.	H	α-helix	trans	-49.2	-40.7	-176.2	178.3	174.8	168.5	166.2	1.6	113.7	I306 E307	R303-I306 WeakPolarHBondContact O-CB 3.49Å; R303-I306 PolarHBondContact O-N 3.19Å; R303-E307 IonicContact CZ-OE1 3.73Å; R303-E307 VanDerWaalsContact CZ-OE1 3.29Å; R303-E307 IonicContact NE-OE1 2.75Å; R303-E307 PolarHBondContact NE-OE1 2.89Å; R303-E307 IonicContact NE-OE2 2.7Å; R303-E307 IonicContact NH2-OE1 3.45Å; R303-E307 PolarHBondContact NH2-OE1 3.48Å; R303-E307 VanDerWaalsContact O-CG 3.32Å; R303-E307 WeakPolarHBondContact O-CG 3.42Å; R303-E307 PolarHBondContact O-N 2.93Å
304	R	66.3	Low	71.1	Confident	200 Å²	200	75.2 Å²	75.2	76%	0.755	36%	0.355	S	S	*	.	H	α-helix	trans	-66.8	-46.3	178.6	-67.6	-179.6	179.1	166.7	-1.3	112.6	D302 I306 E307 D308	D302-R304 PolarHBondContact O-N 3.09Å; R304-I306 VanDerWaalsContact C-N 3.25Å; R304-I306 PolarHBondContact O-N 2.9Å; R304-E307 CarbonylContact O-C 3.59Å; R304-E307 WeakPolarHBondContact O-CA 3.4Å; R304-E307 WeakPolarHBondContact O-CB 3.47Å; R304-E307 PolarHBondContact O-N 2.99Å; R304-D308 PolarHBondContact O-N 2.9Å
305	G	66.8	Low	71.1	Confident	22 Å²	22	78.7 Å²	78.7	23%	0.227	37%	0.366	C	S	.	.	H	α-helix	trans	-63.5	-32.1	175.6	0	0	0	0	0	112.7	D302 V309	D302-G305 PolarHBondContact O-N 3.14Å; G305-V309 WeakPolarHBondContact O-CB 3.44Å; G305-V309 WeakPolarHBondContact O-CG2 3.31Å; G305-V309 PolarHBondContact O-N 3.1Å; G305-V309 VanDerWaalsContact O-N 3.14Å
306	I	66.1	Low	70.8	Confident	41 Å²	41	74.9 Å²	74.9	21%	0.21	35%	0.347	C	S	.	.	H	α-helix	trans	-65.6	-43.8	170.4	-62.8	166	0	0	0	110.8	E297 D302 R303 R304 I310	E297-I306 HydrophobicContact CB-CG1 3.89Å; E297-I306 WeakPolarHBondContact O-CD1 3.43Å; E297-I306 WeakPolarHBondContact O-CG1 3.25Å; D302-I306 WeakPolarHBondContact O-CG1 3.46Å; D302-I306 PolarHBondContact O-N 3.42Å; R303-I306 WeakPolarHBondContact O-CB 3.49Å; R303-I306 PolarHBondContact O-N 3.19Å; R304-I306 VanDerWaalsContact C-N 3.25Å; R304-I306 PolarHBondContact O-N 2.9Å; I306-I310 HydrophobicContact CG2-CD1 3.71Å; I306-I310 WeakPolarHBondContact O-CB 3.06Å; I306-I310 WeakPolarHBondContact O-CD1 3.4Å; I306-I310 WeakPolarHBondContact O-CG1 3.13Å; I306-I310 PolarHBondContact O-N 3.33Å
307	E	67	Low	70.7	Confident	80 Å²	80	79 Å²	79	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-63.1	-50.9	177.8	-73.7	162.3	163	0	0	110.8	R303 R304 V309 I310 V311	R303-E307 IonicContact CZ-OE1 3.73Å; R303-E307 VanDerWaalsContact CZ-OE1 3.29Å; R303-E307 IonicContact NE-OE1 2.75Å; R303-E307 PolarHBondContact NE-OE1 2.89Å; R303-E307 IonicContact NE-OE2 2.7Å; R303-E307 IonicContact NH2-OE1 3.45Å; R303-E307 PolarHBondContact NH2-OE1 3.48Å; R303-E307 VanDerWaalsContact O-CG 3.32Å; R303-E307 WeakPolarHBondContact O-CG 3.42Å; R303-E307 PolarHBondContact O-N 2.93Å; R304-E307 CarbonylContact O-C 3.59Å; R304-E307 WeakPolarHBondContact O-CA 3.4Å; R304-E307 WeakPolarHBondContact O-CB 3.47Å; R304-E307 PolarHBondContact O-N 2.99Å; E307-V309 VanDerWaalsContact C-N 3.35Å; E307-V309 PolarHBondContact O-N 3.19Å; E307-I310 PolarHBondContact O-N 3.04Å; E307-I310 VanDerWaalsContact O-N 3.13Å; E307-V311 WeakPolarHBondContact O-CG2 3.47Å; E307-V311 PolarHBondContact O-N 3.16Å
308	D	68.1	Low	70.6	Confident	106 Å²	106	81 Å²	81	57%	0.567	37%	0.374	S	S	*	.	H	α-helix	trans	-56	-42.9	177	-59.3	-28.9	0	0	0	113	R304 V311 S312	R304-D308 PolarHBondContact O-N 2.9Å; D308-V311 PolarHBondContact O-N 3.22Å; D308-S312 PolarHBondContact O-N 2.88Å; D308-S312 PolarHBondContact O-OG 3.3Å
309	V	68.6	Low	70.4	Confident	12 Å²	12	76.8 Å²	76.8	7%	0.073	36%	0.356	C	S	.	.	H	α-helix	trans	-72.8	-33.2	179.9	173	0	0	0	0	111.6	Y293 G305 E307 S312 K313	Y293-V309 HydrophobicContact CD1-CG1 3.73Å; Y293-V309 HydrophobicContact CD1-CG2 4.18Å; Y293-V309 HydrophobicContact CE1-CB 4.32Å; Y293-V309 HydrophobicContact CE1-CG1 3.84Å; Y293-V309 HydrophobicContact CE1-CG2 3.4Å; Y293-V309 VanDerWaalsContact CE1-CG2 3.4Å; Y293-V309 HydrophobicContact CG-CG1 4.45Å; G305-V309 WeakPolarHBondContact O-CB 3.44Å; G305-V309 WeakPolarHBondContact O-CG2 3.31Å; G305-V309 PolarHBondContact O-N 3.1Å; G305-V309 VanDerWaalsContact O-N 3.14Å; E307-V309 VanDerWaalsContact C-N 3.35Å; E307-V309 PolarHBondContact O-N 3.19Å; V309-S312 WeakPolarHBondContact CA-OG 3.49Å; V309-S312 PolarHBondContact O-OG 3.24Å; V309-S312 VanDerWaalsContact O-OG 3.06Å; V309-K313 WeakPolarHBondContact O-CB 3.21Å; V309-K313 PolarHBondContact O-N 3.45Å; V309-K313 VanDerWaalsContact O-N 3.16Å
310	I	70.8	Confident	70.4	Confident	48 Å²	48	73.4 Å²	73.4	25%	0.246	34%	0.342	C	S	.	.	H	α-helix	trans	-71.1	-40	173.2	-71.8	170.7	0	0	0	110.9	I306 E307 K313 R314	I306-I310 HydrophobicContact CG2-CD1 3.71Å; I306-I310 WeakPolarHBondContact O-CB 3.06Å; I306-I310 WeakPolarHBondContact O-CD1 3.4Å; I306-I310 WeakPolarHBondContact O-CG1 3.13Å; I306-I310 PolarHBondContact O-N 3.33Å; E307-I310 PolarHBondContact O-N 3.04Å; E307-I310 VanDerWaalsContact O-N 3.13Å; I310-K313 PolarHBondContact O-N 3.2Å; I310-R314 HydrophobicContact CG2-CG 4.42Å; I310-R314 WeakPolarHBondContact O-CB 3.45Å; I310-R314 WeakPolarHBondContact O-CG 3.13Å; I310-R314 PolarHBondContact O-N 2.89Å
311	V	70.8	Confident	70.6	Confident	29 Å²	29	72.6 Å²	72.6	18%	0.176	34%	0.34	C	S	.	.	H	α-helix	trans	-59.1	-54.3	173.9	165.1	0	0	0	0	110.6	E307 D308 K313 R314 R315 L338 D342	E307-V311 WeakPolarHBondContact O-CG2 3.47Å; E307-V311 PolarHBondContact O-N 3.16Å; D308-V311 PolarHBondContact O-N 3.22Å; V311-K313 VanDerWaalsContact C-N 3.3Å; V311-K313 PolarHBondContact O-N 3.16Å; V311-R314 PolarHBondContact O-N 2.94Å; V311-R314 VanDerWaalsContact O-N 3.16Å; V311-R315 WeakPolarHBondContact O-CB 3.09Å; V311-R315 PolarHBondContact O-N 3.37Å; V311-L338 HydrophobicContact CG1-CD1 4.42Å; V311-L338 HydrophobicContact CG2-CD1 4.22Å; V311-D342 HydrophobicContact CG1-CB 4.03Å; V311-D342 VanDerWaalsContact CG1-CG 3.49Å; V311-D342 WeakPolarHBondContact CG1-OD2 3.32Å
312	S	69.8	Low	71	Confident	55 Å²	55	71.9 Å²	71.9	39%	0.385	33%	0.331	S	S	.	.	H	α-helix	trans	-59.4	-39.1	-179.4	58	0	0	0	0	112.8	D308 V309 F316	D308-S312 PolarHBondContact O-N 2.88Å; D308-S312 PolarHBondContact O-OG 3.3Å; V309-S312 WeakPolarHBondContact CA-OG 3.49Å; V309-S312 PolarHBondContact O-OG 3.24Å; V309-S312 VanDerWaalsContact O-OG 3.06Å; S312-F316 PolarHBondContact O-N 3.49Å; S312-F316 VanDerWaalsContact O-N 3.12Å
313	K	71.4	Confident	71.3	Confident	75 Å²	75	72.7 Å²	72.7	33%	0.326	33%	0.329	S	S	.	.	H	α-helix	trans	-64.7	-47.1	174	-175.1	-177.9	178.6	-176.8	0	112.8	F290 V309 I310 V311 F316 Q317	F290-K313 HydrophobicContact CB-CD 4.48Å; F290-K313 HydrophobicContact CD1-CB 4.39Å; V309-K313 WeakPolarHBondContact O-CB 3.21Å; V309-K313 PolarHBondContact O-N 3.45Å; V309-K313 VanDerWaalsContact O-N 3.16Å; I310-K313 PolarHBondContact O-N 3.2Å; V311-K313 VanDerWaalsContact C-N 3.3Å; V311-K313 PolarHBondContact O-N 3.16Å; K313-F316 PolarHBondContact O-N 2.85Å; K313-Q317 PolarHBondContact O-N 3.41Å
314	R	71	Confident	71.8	Confident	126 Å²	126	67 Å²	67	48%	0.475	32%	0.323	S	S	.	.	H	α-helix	trans	-62.2	-44.1	177.9	-76.3	173.2	172.9	167.5	-3.4	111.1	I310 V311 F316 Q317 Y318 L338	I310-R314 HydrophobicContact CG2-CG 4.42Å; I310-R314 WeakPolarHBondContact O-CB 3.45Å; I310-R314 WeakPolarHBondContact O-CG 3.13Å; I310-R314 PolarHBondContact O-N 2.89Å; V311-R314 PolarHBondContact O-N 2.94Å; V311-R314 VanDerWaalsContact O-N 3.16Å; R314-F316 VanDerWaalsContact C-N 3.27Å; R314-F316 PolarHBondContact O-N 2.98Å; R314-Q317 PolarHBondContact O-N 2.93Å; R314-Y318 HydrophobicContact CB-CD2 4.3Å; R314-Y318 HydrophobicContact CB-CE2 4.03Å; R314-Y318 WeakPolarHBondContact O-CD2 3.25Å; R314-Y318 PolarHBondContact O-N 2.77Å; R314-L338 HydrophobicContact CB-CD1 4.43Å; R314-L338 HydrophobicContact CB-CD2 3.59Å
315	R	74.6	Confident	72.2	Confident	90 Å²	90	62 Å²	62	34%	0.34	31%	0.311	S	S	.	.	H	α-helix	trans	-57	-41.6	176.9	-168.6	-178.8	-177.5	-177.4	3.9	111.2	V311 E319 Y335 L338	V311-R315 WeakPolarHBondContact O-CB 3.09Å; V311-R315 PolarHBondContact O-N 3.37Å; R315-E319 WeakPolarHBondContact O-CB 3.24Å; R315-E319 PolarHBondContact O-N 3.48Å; R315-E319 VanDerWaalsContact O-N 3.1Å; R315-Y335 HydrophobicContact CG-CE2 3.75Å; R315-Y335 WeakPolarHBondContact O-CE2 3.25Å; R315-L338 HydrophobicContact CB-CD2 3.91Å; R315-L338 VanDerWaalsContact N-CD2 3.34Å
316	F	70.8	Confident	72.5	Confident	23 Å²	23	63.2 Å²	63.2	10%	0.101	32%	0.315	C	S	.	.	H	α-helix	trans	-68.2	-47.6	175.2	179.2	-111.9	0	0	0	112.8	K283 Q287 F290 S312 K313 R314 Y318 E319 E320	K283-F316 VanDerWaalsContact C-CZ 3.47Å; K283-F316 HydrophobicContact CB-CD2 3.97Å; K283-F316 HydrophobicContact CB-CE1 4.29Å; K283-F316 HydrophobicContact CB-CE2 3.37Å; K283-F316 HydrophobicContact CB-CZ 3.55Å; K283-F316 HydrophobicContact CD-CD2 4.04Å; K283-F316 HydrophobicContact CD-CE2 4.12Å; K283-F316 HydrophobicContact CG-CE2 4.38Å; K283-F316 WeakPolarHBondContact O-CE1 3.38Å; K283-F316 WeakPolarHBondContact O-CZ 3.31Å; Q287-F316 HydrophobicContact CG-CE1 4.49Å; F290-F316 HydrophobicContact CE2-CD1 4.46Å; S312-F316 PolarHBondContact O-N 3.49Å; S312-F316 VanDerWaalsContact O-N 3.12Å; K313-F316 PolarHBondContact O-N 2.85Å; R314-F316 VanDerWaalsContact C-N 3.27Å; R314-F316 PolarHBondContact O-N 2.98Å; F316-Y318 PolarHBondContact O-N 3.2Å; F316-E319 WeakPolarHBondContact O-CB 3.25Å; F316-E319 PolarHBondContact O-N 2.93Å; F316-E319 VanDerWaalsContact O-N 3.09Å; F316-E320 HydrophobicContact CD2-CG 4.37Å; F316-E320 VanDerWaalsContact CE1-CD 3.43Å; F316-E320 HydrophobicContact CE1-CG 3.95Å; F316-E320 VanDerWaalsContact CE1-OE2 3.26Å; F316-E320 WeakPolarHBondContact CE1-OE2 3.33Å; F316-E320 HydrophobicContact CE2-CG 3.79Å; F316-E320 HydrophobicContact CZ-CG 3.56Å; F316-E320 VanDerWaalsContact CZ-OE1 3.24Å; F316-E320 WeakPolarHBondContact CZ-OE1 3.43Å; F316-E320 PolarHBondContact O-N 3.28Å
317	Q	76.1	Confident	72.7	Confident	90 Å²	90	66.3 Å²	66.3	42%	0.421	33%	0.328	S	S	.	.	H	α-helix	trans	-55.5	-50.1	177.9	176.5	179.9	-18.8	0	0	111.4	K313 R314 E319 E320 E321	K313-Q317 PolarHBondContact O-N 3.41Å; R314-Q317 PolarHBondContact O-N 2.93Å; Q317-E319 VanDerWaalsContact C-N 3.3Å; Q317-E319 PolarHBondContact O-N 3.47Å; Q317-E320 PolarHBondContact O-N 2.9Å; Q317-E321 HydrophobicContact CG-CG 4.49Å; Q317-E321 VanDerWaalsContact CG-OE1 3.3Å; Q317-E321 WeakPolarHBondContact CG-OE1 3.41Å; Q317-E321 PolarHBondContact NE2-OE1 2.9Å; Q317-E321 WeakPolarHBondContact O-CG 3.49Å; Q317-E321 PolarHBondContact O-N 2.87Å
318	Y	74	Confident	73.3	Confident	45 Å²	45	65.9 Å²	65.9	18%	0.176	33%	0.329	C	S	.	.	H	α-helix	trans	-65.3	-31.9	178.2	-65.3	-46.9	0	0	0	112.5	R314 F316 E321 V322 D334 Y335 L338	R314-Y318 HydrophobicContact CB-CD2 4.3Å; R314-Y318 HydrophobicContact CB-CE2 4.03Å; R314-Y318 WeakPolarHBondContact O-CD2 3.25Å; R314-Y318 PolarHBondContact O-N 2.77Å; F316-Y318 PolarHBondContact O-N 3.2Å; Y318-E321 PolarHBondContact O-N 3.17Å; Y318-V322 VanDerWaalsContact O-CB 3.23Å; Y318-V322 WeakPolarHBondContact O-CB 3.23Å; Y318-V322 VanDerWaalsContact O-CG2 3.25Å; Y318-V322 WeakPolarHBondContact O-CG2 3.5Å; Y318-V322 PolarHBondContact O-N 3.36Å; Y318-D334 HydrophobicContact CD1-CB 4.19Å; Y318-D334 HydrophobicContact CE1-CB 3.63Å; Y318-D334 HydrophobicContact CE2-CB 4.26Å; Y318-Y335 HydrophobicContact CG-CD2 4.47Å; Y318-L338 HydrophobicContact CD2-CD2 4.1Å; Y318-L338 HydrophobicContact CE2-CD2 4.3Å
319	E	74.9	Confident	73.4	Confident	43 Å²	43	61.6 Å²	61.6	20%	0.201	31%	0.305	C	S	.	.	H	α-helix	trans	-68.6	-35.5	173.4	-161.7	-167.4	154.4	0	0	112.4	R315 F316 Q317 K323 Y335	R315-E319 WeakPolarHBondContact O-CB 3.24Å; R315-E319 PolarHBondContact O-N 3.48Å; R315-E319 VanDerWaalsContact O-N 3.1Å; F316-E319 WeakPolarHBondContact O-CB 3.25Å; F316-E319 PolarHBondContact O-N 2.93Å; F316-E319 VanDerWaalsContact O-N 3.09Å; Q317-E319 VanDerWaalsContact C-N 3.3Å; Q317-E319 PolarHBondContact O-N 3.47Å; E319-K323 WeakPolarHBondContact O-CB 3.48Å; E319-K323 WeakPolarHBondContact O-CD 3.47Å; E319-K323 VanDerWaalsContact O-CG 3.23Å; E319-K323 WeakPolarHBondContact O-CG 3.29Å; E319-K323 PolarHBondContact O-N 3.28Å; E319-K323 VanDerWaalsContact O-N 3.09Å; E319-K323 VanDerWaalsContact OE1-CE 3.23Å; E319-K323 WeakPolarHBondContact OE1-CE 3.38Å; E319-K323 IonicContact OE1-NZ 3.65Å; E319-K323 PolarHBondContact OE1-NZ 2.96Å; E319-Y335 HydrophobicContact CB-CE2 4.34Å
320	E	75.6	Confident	73.8	Confident	50 Å²	50	63.7 Å²	63.7	23%	0.234	32%	0.316	C	S	.	.	H	α-helix	trans	-68.7	-45.2	171	-66.5	-159.2	121.5	0	0	111.6	H284 Q287 F316 Q317 V322 K323 A324	H284-E320 IonicContact CD2-OE1 3.47Å; Q287-E320 PolarHBondContact NE2-OE2 3.44Å; F316-E320 HydrophobicContact CD2-CG 4.37Å; F316-E320 VanDerWaalsContact CE1-CD 3.43Å; F316-E320 HydrophobicContact CE1-CG 3.95Å; F316-E320 VanDerWaalsContact CE1-OE2 3.26Å; F316-E320 WeakPolarHBondContact CE1-OE2 3.33Å; F316-E320 HydrophobicContact CE2-CG 3.79Å; F316-E320 HydrophobicContact CZ-CG 3.56Å; F316-E320 VanDerWaalsContact CZ-OE1 3.24Å; F316-E320 WeakPolarHBondContact CZ-OE1 3.43Å; F316-E320 PolarHBondContact O-N 3.28Å; Q317-E320 PolarHBondContact O-N 2.9Å; E320-V322 VanDerWaalsContact C-N 3.33Å; E320-V322 PolarHBondContact O-N 3.14Å; E320-K323 PolarHBondContact O-N 3.46Å; E320-A324 WeakPolarHBondContact O-CB 3.34Å; E320-A324 PolarHBondContact O-N 2.96Å
321	E	74.9	Confident	74.1	Confident	67 Å²	67	61.6 Å²	61.6	31%	0.313	31%	0.305	S	S	.	.	H	α-helix	trans	-60.9	-40.1	177.3	-72.8	173.9	-168.7	0	0	112.2	Q317 Y318 N325 A331	Q317-E321 HydrophobicContact CG-CG 4.49Å; Q317-E321 VanDerWaalsContact CG-OE1 3.3Å; Q317-E321 WeakPolarHBondContact CG-OE1 3.41Å; Q317-E321 PolarHBondContact NE2-OE1 2.9Å; Q317-E321 WeakPolarHBondContact O-CG 3.49Å; Q317-E321 PolarHBondContact O-N 2.87Å; Y318-E321 PolarHBondContact O-N 3.17Å; E321-N325 PolarHBondContact O-N 3.46Å; E321-A331 HydrophobicContact CB-CB 4.32Å
322	V	78.4	Confident	74.6	Confident	7 Å²	7	60.3 Å²	60.3	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-66.1	-40	173.7	158.3	0	0	0	0	112.2	Y318 E320 N325 P326 A331 W332	Y318-V322 VanDerWaalsContact O-CB 3.23Å; Y318-V322 WeakPolarHBondContact O-CB 3.23Å; Y318-V322 VanDerWaalsContact O-CG2 3.25Å; Y318-V322 WeakPolarHBondContact O-CG2 3.5Å; Y318-V322 PolarHBondContact O-N 3.36Å; E320-V322 VanDerWaalsContact C-N 3.33Å; E320-V322 PolarHBondContact O-N 3.14Å; V322-N325 CarbonylContact O-C 3.59Å; V322-P326 VanDerWaalsContact O-CA 3.29Å; V322-P326 WeakPolarHBondContact O-CA 3.47Å; V322-P326 WeakPolarHBondContact O-CD 3.44Å; V322-P326 WeakPolarHBondContact O-CG 3.37Å; V322-P326 VanDerWaalsContact O-N 3.15Å; V322-A331 HydrophobicContact CG2-CB 4.42Å; V322-W332 HydrophobicContact CB-CZ2 4.47Å; V322-W332 HydrophobicContact CG1-CD2 4.22Å; V322-W332 HydrophobicContact CG1-CE3 4.3Å; V322-W332 HydrophobicContact CG1-CH2 3.45Å; V322-W332 VanDerWaalsContact CG1-CH2 3.45Å; V322-W332 HydrophobicContact CG1-CZ2 3.3Å; V322-W332 HydrophobicContact CG1-CZ3 3.96Å; V322-W332 HydrophobicContact CG2-CD2 3.82Å; V322-W332 HydrophobicContact CG2-CE3 4.06Å; V322-W332 HydrophobicContact CG2-CG 4.2Å; V322-W332 HydrophobicContact CG2-CZ2 4.42Å; V322-W332 HydrophobicContact CG2-CZ3 4.48Å
323	K	75.4	Confident	75.1	Confident	126 Å²	126	58.8 Å²	58.8	55%	0.548	28%	0.283	S	S	.	.	H	α-helix	trans	-69	-38.7	175.9	-75.8	167	-173.1	164.6	0	112.2	E319 E320	E319-K323 WeakPolarHBondContact O-CB 3.48Å; E319-K323 WeakPolarHBondContact O-CD 3.47Å; E319-K323 VanDerWaalsContact O-CG 3.23Å; E319-K323 WeakPolarHBondContact O-CG 3.29Å; E319-K323 PolarHBondContact O-N 3.28Å; E319-K323 VanDerWaalsContact O-N 3.09Å; E319-K323 VanDerWaalsContact OE1-CE 3.23Å; E319-K323 WeakPolarHBondContact OE1-CE 3.38Å; E319-K323 IonicContact OE1-NZ 3.65Å; E319-K323 PolarHBondContact OE1-NZ 2.96Å; E320-K323 PolarHBondContact O-N 3.46Å
324	A	76.8	Confident	75.4	Confident	71 Å²	71	58 Å²	58	59%	0.587	28%	0.283	S	S	*	.	H	α-helix	trans	-71.9	-38.8	178.1	0	0	0	0	0	112.2	E320	E320-A324 WeakPolarHBondContact O-CB 3.34Å; E320-A324 PolarHBondContact O-N 2.96Å
325	N	73.9	Confident	75.8	Confident	97 Å²	97	52.1 Å²	52.1	52%	0.519	26%	0.261	S	S	.	.			trans	-132.3	73.9	-178	-64	-77.4	0	0	0	112.2	E321 V322 H327 N328	E321-N325 PolarHBondContact O-N 3.46Å; V322-N325 CarbonylContact O-C 3.59Å; N325-H327 PolarHBondContact O-N 3.47Å; N325-N328 HydrophobicContact CB-CB 3.92Å; N325-N328 WeakPolarHBondContact O-CB 3.46Å; N325-N328 PolarHBondContact O-N 2.96Å
326	P	74.5	Confident	75.9	Confident	47 Å²	47	48 Å²	48	31%	0.305	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-21.9	-177.7	-25.8	34.6	0	0	0	115	V322 W332 N358	V322-P326 VanDerWaalsContact O-CA 3.29Å; V322-P326 WeakPolarHBondContact O-CA 3.47Å; V322-P326 WeakPolarHBondContact O-CD 3.44Å; V322-P326 WeakPolarHBondContact O-CG 3.37Å; V322-P326 VanDerWaalsContact O-N 3.15Å; P326-W332 PolarHBondContact O-NE1 2.7Å; P326-N358 WeakPolarHBondContact CB-OD1 3.24Å
327	H	70.1	Confident	76.3	Confident	105 Å²	105	54.4 Å²	54.4	49%	0.486	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	0.2	176.9	-57.5	-45.2	0	0	0	114.4	N325 Y329	N325-H327 PolarHBondContact O-N 3.47Å; H327-Y329 WeakPolarHBondContact O-CD2 3.26Å; H327-Y329 VanDerWaalsContact O-CE2 3.32Å; H327-Y329 WeakPolarHBondContact O-CE2 3.3Å; H327-Y329 PolarHBondContact O-N 3.32Å; H327-Y329 VanDerWaalsContact O-N 3.14Å
328	N	78.2	Confident	76.4	Confident	71 Å²	71	50.9 Å²	50.9	38%	0.38	25%	0.253	S	S	.	.			trans	-82.2	87.2	173.3	-177.1	12.5	0	0	0	110.6	N325 D330 A331 W332	N325-N328 HydrophobicContact CB-CB 3.92Å; N325-N328 WeakPolarHBondContact O-CB 3.46Å; N325-N328 PolarHBondContact O-N 2.96Å; N328-D330 PolarHBondContact O-N 3.39Å; N328-D330 VanDerWaalsContact O-N 3.1Å; N328-D330 PolarHBondContact OD1-N 2.95Å; N328-A331 HydrophobicContact CB-CB 4.38Å; N328-A331 PolarHBondContact O-N 2.92Å; N328-W332 PolarHBondContact O-N 2.98Å
329	Y	70.2	Confident	76.3	Confident	17 Å²	17	48.8 Å²	48.8	7%	0.067	25%	0.245	C	C	.	.	H	α-helix	trans	-59.3	-20.3	179	-58.1	-67.7	0	0	0	114.3	H327 W332 F333 N358 P360 R370 Y371	H327-Y329 WeakPolarHBondContact O-CD2 3.26Å; H327-Y329 VanDerWaalsContact O-CE2 3.32Å; H327-Y329 WeakPolarHBondContact O-CE2 3.3Å; H327-Y329 PolarHBondContact O-N 3.32Å; H327-Y329 VanDerWaalsContact O-N 3.14Å; Y329-W332 WeakPolarHBondContact O-CB 3.4Å; Y329-W332 PolarHBondContact O-N 3.44Å; Y329-F333 WeakPolarHBondContact O-CD2 3.42Å; Y329-F333 PolarHBondContact O-N 2.85Å; Y329-N358 WeakPolarHBondContact CE1-O 3.41Å; Y329-N358 PolarHBondContact OH-O 2.92Å; Y329-P360 HydrophobicContact CE2-CB 4.49Å; Y329-P360 HydrophobicContact CE2-CG 4.21Å; Y329-P360 WeakPolarHBondContact OH-CA 3.49Å; Y329-P360 WeakPolarHBondContact OH-CG 3.45Å; Y329-R370 HydrophobicContact CD2-CB 4.1Å; Y329-R370 HydrophobicContact CG-CB 4.12Å; Y329-Y371 HydrophobicContact CD1-CD2 4.42Å; Y329-Y371 AromaticContact CE1-CD2 3.79Å; Y329-Y371 HydrophobicContact CE1-CD2 3.79Å
330	D	76.8	Confident	76.2	Confident	56 Å²	56	49.4 Å²	49.4	30%	0.299	25%	0.247	S	C	.	.	H	α-helix	trans	-79.2	-34.7	179.8	-66.7	-20.4	0	0	0	112	N328 W332 F333 D334 R370	N328-D330 PolarHBondContact O-N 3.39Å; N328-D330 VanDerWaalsContact O-N 3.1Å; N328-D330 PolarHBondContact OD1-N 2.95Å; D330-W332 VanDerWaalsContact C-N 3.29Å; D330-W332 PolarHBondContact O-N 3.45Å; D330-F333 PolarHBondContact O-N 3.2Å; D330-D334 PolarHBondContact O-N 2.71Å; D330-R370 WeakPolarHBondContact OD1-CD 3.2Å; D330-R370 IonicContact OD1-CZ 2.66Å; D330-R370 IonicContact OD1-NE 3.43Å; D330-R370 PolarHBondContact OD1-NE 2.8Å; D330-R370 IonicContact OD1-NH1 2.96Å; D330-R370 PolarHBondContact OD1-NH1 3.25Å; D330-R370 IonicContact OD1-NH2 2.66Å; D330-R370 PolarHBondContact OD1-NH2 2.69Å; D330-R370 IonicContact OD2-CZ 2.74Å; D330-R370 IonicContact OD2-NE 3.54Å; D330-R370 PolarHBondContact OD2-NE 3.46Å; D330-R370 IonicContact OD2-NH1 2.76Å; D330-R370 IonicContact OD2-NH2 2.74Å; D330-R370 PolarHBondContact OD2-NH2 2.86Å
331	A	77.7	Confident	75.9	Confident	3 Å²	3	50.9 Å²	50.9	3%	0.025	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-35.4	166.7	0	0	0	0	0	111.8	E321 V322 N328 D334 Y335	E321-A331 HydrophobicContact CB-CB 4.32Å; V322-A331 HydrophobicContact CG2-CB 4.42Å; N328-A331 HydrophobicContact CB-CB 4.38Å; N328-A331 PolarHBondContact O-N 2.92Å; A331-D334 PolarHBondContact O-N 3.46Å; A331-Y335 VanDerWaalsContact O-CB 3.31Å; A331-Y335 WeakPolarHBondContact O-CB 3.34Å; A331-Y335 PolarHBondContact O-N 2.82Å
332	W	81.5	Confident	75.2	Confident	3 Å²	3	51.2 Å²	51.2	1%	0.011	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-40.1	172.5	-74	106.9	0	0	0	112.8	V322 P326 N328 Y329 D330 Y335 L336 I351 R354 A355 N358	V322-W332 HydrophobicContact CB-CZ2 4.47Å; V322-W332 HydrophobicContact CG1-CD2 4.22Å; V322-W332 HydrophobicContact CG1-CE3 4.3Å; V322-W332 HydrophobicContact CG1-CH2 3.45Å; V322-W332 VanDerWaalsContact CG1-CH2 3.45Å; V322-W332 HydrophobicContact CG1-CZ2 3.3Å; V322-W332 HydrophobicContact CG1-CZ3 3.96Å; V322-W332 HydrophobicContact CG2-CD2 3.82Å; V322-W332 HydrophobicContact CG2-CE3 4.06Å; V322-W332 HydrophobicContact CG2-CG 4.2Å; V322-W332 HydrophobicContact CG2-CZ2 4.42Å; V322-W332 HydrophobicContact CG2-CZ3 4.48Å; P326-W332 PolarHBondContact O-NE1 2.7Å; N328-W332 PolarHBondContact O-N 2.98Å; Y329-W332 WeakPolarHBondContact O-CB 3.4Å; Y329-W332 PolarHBondContact O-N 3.44Å; D330-W332 VanDerWaalsContact C-N 3.29Å; D330-W332 PolarHBondContact O-N 3.45Å; W332-Y335 HydrophobicContact CE3-CD1 4.33Å; W332-Y335 HydrophobicContact CZ3-CD1 4.42Å; W332-Y335 PolarHBondContact O-N 3.47Å; W332-L336 VanDerWaalsContact O-CB 3.31Å; W332-L336 WeakPolarHBondContact O-CB 3.45Å; W332-L336 WeakPolarHBondContact O-CD1 3.43Å; W332-L336 VanDerWaalsContact O-CG 3.28Å; W332-L336 WeakPolarHBondContact O-CG 3.17Å; W332-L336 PolarHBondContact O-N 2.88Å; W332-I351 HydrophobicContact CZ3-CG2 4.34Å; W332-R354 HydrophobicContact CH2-CB 3.97Å; W332-R354 HydrophobicContact CZ3-CB 4.34Å; W332-A355 HydrophobicContact CD2-CB 3.67Å; W332-A355 HydrophobicContact CE3-CB 3.37Å; W332-A355 HydrophobicContact CG-CB 4.24Å; W332-A355 HydrophobicContact CH2-CB 4.21Å; W332-A355 HydrophobicContact CZ2-CB 4.47Å; W332-A355 HydrophobicContact CZ3-CB 3.67Å; W332-N358 WeakPolarHBondContact CZ2-ND2 3.37Å
333	F	79.7	Confident	74.3	Confident	22 Å²	22	53 Å²	53	10%	0.096	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-35.4	175.2	-74.9	-59.2	0	0	0	112.9	Y329 D330 R337 R370 L374	Y329-F333 WeakPolarHBondContact O-CD2 3.42Å; Y329-F333 PolarHBondContact O-N 2.85Å; D330-F333 PolarHBondContact O-N 3.2Å; F333-R337 WeakPolarHBondContact O-CB 3.42Å; F333-R337 VanDerWaalsContact O-CG 3.3Å; F333-R337 WeakPolarHBondContact O-CG 3.34Å; F333-R337 PolarHBondContact O-N 3.08Å; F333-R337 VanDerWaalsContact O-N 3.13Å; F333-R337 PolarHBondContact O-NE 3.46Å; F333-R370 HydrophobicContact CE2-CB 4.39Å; F333-R370 WeakPolarHBondContact CZ-O 3.46Å; F333-L374 HydrophobicContact CE1-CB 4.32Å; F333-L374 HydrophobicContact CE1-CD1 4.41Å; F333-L374 HydrophobicContact CZ-CB 4.25Å
334	D	78.1	Confident	73.9	Confident	58 Å²	58	53.2 Å²	53.2	31%	0.31	29%	0.285	S	S	.	.	H	α-helix	trans	-74.9	-37	176.9	-73.9	-0.1	0	0	0	112	Y318 D330 A331 R337 L338	Y318-D334 HydrophobicContact CD1-CB 4.19Å; Y318-D334 HydrophobicContact CE1-CB 3.63Å; Y318-D334 HydrophobicContact CE2-CB 4.26Å; D330-D334 PolarHBondContact O-N 2.71Å; A331-D334 PolarHBondContact O-N 3.46Å; D334-R337 IonicContact OD1-CZ 2.68Å; D334-R337 IonicContact OD1-NE 3.82Å; D334-R337 IonicContact OD1-NH2 3.61Å; D334-R337 PolarHBondContact OD1-NH2 2.77Å; D334-L338 PolarHBondContact O-N 3.19Å
335	Y	78.9	Confident	73.4	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-62.2	-47.2	171.9	-168.7	-134.8	0	0	0	111.8	R315 Y318 E319 A331 W332 L338 V339 I351	R315-Y335 HydrophobicContact CG-CE2 3.75Å; R315-Y335 WeakPolarHBondContact O-CE2 3.25Å; Y318-Y335 HydrophobicContact CG-CD2 4.47Å; E319-Y335 HydrophobicContact CB-CE2 4.34Å; A331-Y335 VanDerWaalsContact O-CB 3.31Å; A331-Y335 WeakPolarHBondContact O-CB 3.34Å; A331-Y335 PolarHBondContact O-N 2.82Å; W332-Y335 HydrophobicContact CE3-CD1 4.33Å; W332-Y335 HydrophobicContact CZ3-CD1 4.42Å; W332-Y335 PolarHBondContact O-N 3.47Å; Y335-L338 PolarHBondContact O-N 2.95Å; Y335-V339 HydrophobicContact CD2-CG2 4.32Å; Y335-V339 HydrophobicContact CE2-CG2 4.29Å; Y335-V339 WeakPolarHBondContact O-CB 3.47Å; Y335-V339 VanDerWaalsContact O-CG2 3.24Å; Y335-V339 WeakPolarHBondContact O-CG2 3.47Å; Y335-V339 PolarHBondContact O-N 3.07Å; Y335-I351 HydrophobicContact CD1-CG2 3.46Å; Y335-I351 VanDerWaalsContact CD1-CG2 3.46Å; Y335-I351 HydrophobicContact CE1-CB 4.33Å; Y335-I351 HydrophobicContact CE1-CD1 3.72Å; Y335-I351 HydrophobicContact CE1-CG1 3.92Å; Y335-I351 HydrophobicContact CE1-CG2 3.45Å; Y335-I351 VanDerWaalsContact CE1-CG2 3.45Å
336	L	77.8	Confident	73.2	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-45.4	-179.4	-78.9	166.4	0	0	0	112.1	W332 L338 V339 E340 I351 Y352 L374	W332-L336 VanDerWaalsContact O-CB 3.31Å; W332-L336 WeakPolarHBondContact O-CB 3.45Å; W332-L336 WeakPolarHBondContact O-CD1 3.43Å; W332-L336 VanDerWaalsContact O-CG 3.28Å; W332-L336 WeakPolarHBondContact O-CG 3.17Å; W332-L336 PolarHBondContact O-N 2.88Å; L336-L338 PolarHBondContact O-N 3.35Å; L336-V339 CarbonylContact O-C 3.6Å; L336-V339 PolarHBondContact O-N 3.05Å; L336-E340 WeakPolarHBondContact O-CB 3.27Å; L336-E340 VanDerWaalsContact O-CG 3.26Å; L336-E340 WeakPolarHBondContact O-CG 3.4Å; L336-E340 PolarHBondContact O-N 2.98Å; L336-I351 HydrophobicContact CD2-CB 4.47Å; L336-I351 HydrophobicContact CD2-CG2 3.7Å; L336-I351 HydrophobicContact CG-CG2 4.32Å; L336-Y352 HydrophobicContact CD1-CD1 3.78Å; L336-Y352 HydrophobicContact CD1-CE1 3.44Å; L336-Y352 VanDerWaalsContact CD1-CE1 3.44Å; L336-Y352 HydrophobicContact CD1-CG 4.49Å; L336-Y352 HydrophobicContact CD2-CD1 3.93Å; L336-Y352 HydrophobicContact CD2-CD2 3.68Å; L336-Y352 HydrophobicContact CD2-CE1 3.93Å; L336-Y352 HydrophobicContact CD2-CE2 3.65Å; L336-Y352 HydrophobicContact CD2-CG 3.81Å; L336-Y352 HydrophobicContact CG-CE1 4.27Å; L336-L374 HydrophobicContact CD1-CD1 3.38Å
337	R	79.1	Confident	73.2	Confident	159 Å²	159	52 Å²	52	60%	0.6	27%	0.273	S	S	*	.	H	α-helix	trans	-62.8	-25.8	179	-74.2	-173.3	-67.4	170.2	-2.1	114.2	F333 D334 S341	F333-R337 WeakPolarHBondContact O-CB 3.42Å; F333-R337 VanDerWaalsContact O-CG 3.3Å; F333-R337 WeakPolarHBondContact O-CG 3.34Å; F333-R337 PolarHBondContact O-N 3.08Å; F333-R337 VanDerWaalsContact O-N 3.13Å; F333-R337 PolarHBondContact O-NE 3.46Å; D334-R337 IonicContact OD1-CZ 2.68Å; D334-R337 IonicContact OD1-NE 3.82Å; D334-R337 IonicContact OD1-NH2 3.61Å; D334-R337 PolarHBondContact OD1-NH2 2.77Å; R337-S341 PolarHBondContact O-OG 3.33Å
338	L	77	Confident	73.5	Confident	16 Å²	16	47 Å²	47	8%	0.084	25%	0.25	C	S	.	.	H	α-helix	trans	-79.3	-39.4	171.3	-174.2	75.1	0	0	0	111.5	V311 R314 R315 Y318 D334 Y335 L336 E340 S341 D342	V311-L338 HydrophobicContact CG1-CD1 4.42Å; V311-L338 HydrophobicContact CG2-CD1 4.22Å; R314-L338 HydrophobicContact CB-CD1 4.43Å; R314-L338 HydrophobicContact CB-CD2 3.59Å; R315-L338 HydrophobicContact CB-CD2 3.91Å; R315-L338 VanDerWaalsContact N-CD2 3.34Å; Y318-L338 HydrophobicContact CD2-CD2 4.1Å; Y318-L338 HydrophobicContact CE2-CD2 4.3Å; D334-L338 PolarHBondContact O-N 3.19Å; Y335-L338 PolarHBondContact O-N 2.95Å; L336-L338 PolarHBondContact O-N 3.35Å; L338-E340 VanDerWaalsContact C-N 3.35Å; L338-S341 PolarHBondContact O-N 3.41Å; L338-S341 PolarHBondContact O-OG 2.96Å; L338-D342 PolarHBondContact O-N 3.07Å
339	V	73.8	Confident	73.4	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-68.8	-35.8	179.7	161	0	0	0	0	111.4	Y335 L336 S341 D342 T343 V348 I351	Y335-V339 HydrophobicContact CD2-CG2 4.32Å; Y335-V339 HydrophobicContact CE2-CG2 4.29Å; Y335-V339 WeakPolarHBondContact O-CB 3.47Å; Y335-V339 VanDerWaalsContact O-CG2 3.24Å; Y335-V339 WeakPolarHBondContact O-CG2 3.47Å; Y335-V339 PolarHBondContact O-N 3.07Å; L336-V339 CarbonylContact O-C 3.6Å; L336-V339 PolarHBondContact O-N 3.05Å; V339-S341 VanDerWaalsContact C-N 3.32Å; V339-S341 PolarHBondContact O-N 3.31Å; V339-D342 PolarHBondContact O-N 3.4Å; V339-T343 PolarHBondContact O-N 2.99Å; V339-T343 PolarHBondContact O-OG1 3.1Å; V339-V348 HydrophobicContact CG1-CB 4.05Å; V339-V348 HydrophobicContact CG1-CG1 4.09Å; V339-V348 HydrophobicContact CG1-CG2 3.77Å; V339-I351 HydrophobicContact CB-CD1 4.44Å; V339-I351 HydrophobicContact CG1-CD1 3.86Å; V339-I351 HydrophobicContact CG2-CD1 3.74Å
340	E	72.6	Confident	73.9	Confident	55 Å²	55	49.3 Å²	49.3	26%	0.257	26%	0.257	S	S	.	.	H	α-helix	trans	-63.9	-29.3	171.3	-72.5	167.7	165.3	0	0	113	L336 L338 V348 Y352 Y381	L336-E340 WeakPolarHBondContact O-CB 3.27Å; L336-E340 VanDerWaalsContact O-CG 3.26Å; L336-E340 WeakPolarHBondContact O-CG 3.4Å; L336-E340 PolarHBondContact O-N 2.98Å; L338-E340 VanDerWaalsContact C-N 3.35Å; E340-V348 HydrophobicContact CG-CG1 4.25Å; E340-Y352 PolarHBondContact OE1-OH 3.43Å; E340-Y381 HydrophobicContact CG-CD2 4.05Å; E340-Y381 HydrophobicContact CG-CE2 4.11Å
341	S	68.7	Low	74	Confident	82 Å²	82	46.8 Å²	46.8	57%	0.573	24%	0.244	S	C	*	.	H	α-helix	trans	-81.6	-23.9	176.7	48.6	0	0	0	0	114.8	R337 L338 V339	R337-S341 PolarHBondContact O-OG 3.33Å; L338-S341 PolarHBondContact O-N 3.41Å; L338-S341 PolarHBondContact O-OG 2.96Å; V339-S341 VanDerWaalsContact C-N 3.32Å; V339-S341 PolarHBondContact O-N 3.31Å
342	D	59.9	Low	74	Confident	74 Å²	74	46.7 Å²	46.7	40%	0.396	24%	0.243	S	C	.	.	H	α-helix	trans	-126.8	-11.4	-158	-68.1	-65.7	0	0	0	116.3	V311 L338 V339	V311-D342 HydrophobicContact CG1-CB 4.03Å; V311-D342 VanDerWaalsContact CG1-CG 3.49Å; V311-D342 WeakPolarHBondContact CG1-OD2 3.32Å; L338-D342 PolarHBondContact O-N 3.07Å; V339-D342 PolarHBondContact O-N 3.4Å
343	T	59.4	Low	73.8	Confident	43 Å²	43	51 Å²	51	26%	0.264	26%	0.263	S	S	.	.	S	Bend	trans	-141.1	158.1	-164.2	52.6	0	0	0	0	118	V339 T347	V339-T343 PolarHBondContact O-N 2.99Å; V339-T343 PolarHBondContact O-OG1 3.1Å; T343-T347 WeakPolarHBondContact CB-OG1 3.36Å; T343-T347 PolarHBondContact OG1-OG1 2.93Å
344	D	66.4	Low	73.9	Confident	131 Å²	131	54.1 Å²	54.1	70%	0.701	27%	0.274	S	S	*	.			trans	-55.6	136.6	178.1	-63.4	-63.1	0	0	0	112.7	D346 T347 V348	D344-D346 PolarHBondContact O-N 3.48Å; D344-T347 WeakPolarHBondContact O-CA 3.42Å; D344-T347 PolarHBondContact O-N 3Å; D344-T347 PolarHBondContact O-OG1 2.8Å; D344-V348 PolarHBondContact O-N 2.69Å
345	A	66.5	Low	73.8	Confident	34 Å²	34	51.4 Å²	51.4	28%	0.281	26%	0.26	S	S	.	.	H	α-helix	trans	-53.3	-30.3	-174.1	0	0	0	0	0	114.7	V348 R349 Y381 T386	A345-V348 PolarHBondContact O-N 3.06Å; A345-R349 WeakPolarHBondContact O-CB 3.35Å; A345-R349 WeakPolarHBondContact O-CD 3.31Å; A345-R349 VanDerWaalsContact O-CG 3.24Å; A345-R349 WeakPolarHBondContact O-CG 3.41Å; A345-R349 PolarHBondContact O-N 3.3Å; A345-Y381 WeakPolarHBondContact CA-OH 3.47Å; A345-T386 HydrophobicContact CB-CG2 4.19Å
346	D	71.2	Confident	73.6	Confident	112 Å²	112	52.2 Å²	52.2	60%	0.599	26%	0.264	S	S	*	.	H	α-helix	trans	-72.9	-27.1	177.3	-66.7	-33.1	0	0	0	113.1	D344 R349 E350	D344-D346 PolarHBondContact O-N 3.48Å; D346-R349 WeakPolarHBondContact OD1-CD 3.31Å; D346-R349 IonicContact OD1-CZ 3.64Å; D346-R349 IonicContact OD1-NH1 2.97Å; D346-R349 PolarHBondContact OD1-NH1 2.96Å; D346-E350 PolarHBondContact O-N 3.16Å; D346-E350 VanDerWaalsContact O-N 3.08Å
347	T	73.7	Confident	73.6	Confident	45 Å²	45	55.7 Å²	55.7	28%	0.276	29%	0.293	S	S	.	.	H	α-helix	trans	-78	-34.1	170.4	70.8	0	0	0	0	111.9	T343 D344 R349 E350 I351	T343-T347 WeakPolarHBondContact CB-OG1 3.36Å; T343-T347 PolarHBondContact OG1-OG1 2.93Å; D344-T347 WeakPolarHBondContact O-CA 3.42Å; D344-T347 PolarHBondContact O-N 3Å; D344-T347 PolarHBondContact O-OG1 2.8Å; T347-R349 VanDerWaalsContact C-N 3.33Å; T347-E350 PolarHBondContact O-N 2.92Å; T347-I351 WeakPolarHBondContact O-CG1 3.23Å; T347-I351 PolarHBondContact O-N 2.9Å; T347-I351 VanDerWaalsContact O-N 3.14Å
348	V	75.6	Confident	73.3	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-44	170.9	-171.1	0	0	0	0	110.1	V339 E340 D344 A345 I351 Y352 Y381	V339-V348 HydrophobicContact CG1-CB 4.05Å; V339-V348 HydrophobicContact CG1-CG1 4.09Å; V339-V348 HydrophobicContact CG1-CG2 3.77Å; E340-V348 HydrophobicContact CG-CG1 4.25Å; D344-V348 PolarHBondContact O-N 2.69Å; A345-V348 PolarHBondContact O-N 3.06Å; V348-I351 PolarHBondContact O-N 3.44Å; V348-Y352 HydrophobicContact CG1-CD2 3.84Å; V348-Y352 HydrophobicContact CG1-CE2 3.87Å; V348-Y352 WeakPolarHBondContact O-CD2 3.32Å; V348-Y352 PolarHBondContact O-N 3.08Å; V348-Y381 HydrophobicContact CB-CE1 4.15Å; V348-Y381 HydrophobicContact CG1-CD1 4.32Å; V348-Y381 HydrophobicContact CG1-CD2 4.31Å; V348-Y381 HydrophobicContact CG1-CE1 3.81Å; V348-Y381 HydrophobicContact CG1-CE2 3.79Å
349	R	77.3	Confident	73.2	Confident	37 Å²	37	52.2 Å²	52.2	14%	0.14	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-49.7	173.6	-77.1	162	171.7	155.2	2.9	113.5	A345 D346 T347 I351 Y352 E353 Y378 E382	A345-R349 WeakPolarHBondContact O-CB 3.35Å; A345-R349 WeakPolarHBondContact O-CD 3.31Å; A345-R349 VanDerWaalsContact O-CG 3.24Å; A345-R349 WeakPolarHBondContact O-CG 3.41Å; A345-R349 PolarHBondContact O-N 3.3Å; D346-R349 WeakPolarHBondContact OD1-CD 3.31Å; D346-R349 IonicContact OD1-CZ 3.64Å; D346-R349 IonicContact OD1-NH1 2.97Å; D346-R349 PolarHBondContact OD1-NH1 2.96Å; T347-R349 VanDerWaalsContact C-N 3.33Å; R349-I351 PolarHBondContact O-N 2.88Å; R349-Y352 PolarHBondContact O-N 3.45Å; R349-E353 WeakPolarHBondContact O-CB 3.39Å; R349-E353 WeakPolarHBondContact O-CG 3.45Å; R349-E353 PolarHBondContact O-N 2.96Å; R349-Y378 HydrophobicContact CG-CE2 4.41Å; R349-E382 WeakPolarHBondContact CG-OE1 3.49Å; R349-E382 IonicContact CZ-OE1 3.18Å; R349-E382 IonicContact CZ-OE2 3.42Å; R349-E382 IonicContact NE-OE1 3.27Å; R349-E382 PolarHBondContact NE-OE1 3.27Å; R349-E382 IonicContact NE-OE2 2.69Å; R349-E382 PolarHBondContact NE-OE2 3.4Å; R349-E382 IonicContact NH2-OE1 3.24Å; R349-E382 IonicContact NH2-OE2 2.73Å; R349-E382 PolarHBondContact NH2-OE2 3.49Å
350	E	79.7	Confident	73.2	Confident	99 Å²	99	52.4 Å²	52.4	46%	0.463	29%	0.29	S	S	.	.	H	α-helix	trans	-56.5	-40.6	177.9	-166.9	-147	118.6	0	0	111	D346 T347 E353 R354	D346-E350 PolarHBondContact O-N 3.16Å; D346-E350 VanDerWaalsContact O-N 3.08Å; T347-E350 PolarHBondContact O-N 2.92Å; E350-E353 PolarHBondContact O-N 2.72Å; E350-R354 WeakPolarHBondContact O-CB 3.43Å; E350-R354 WeakPolarHBondContact O-CD 3.27Å; E350-R354 WeakPolarHBondContact O-CG 3.21Å; E350-R354 PolarHBondContact O-N 3.24Å; E350-R354 WeakPolarHBondContact OE1-CD 3.38Å; E350-R354 IonicContact OE1-CZ 3.6Å; E350-R354 IonicContact OE1-NE 2.63Å; E350-R354 IonicContact OE1-NH1 3.97Å; E350-R354 PolarHBondContact OE1-NH1 2.95Å
351	I	78.9	Confident	73.1	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.015	31%	0.309	C	S	.	.	H	α-helix	trans	-71.8	-40.2	-179.8	-68.6	169.3	0	0	0	111.3	W332 Y335 L336 V339 T347 V348 R349 R354 A355	W332-I351 HydrophobicContact CZ3-CG2 4.34Å; Y335-I351 HydrophobicContact CD1-CG2 3.46Å; Y335-I351 VanDerWaalsContact CD1-CG2 3.46Å; Y335-I351 HydrophobicContact CE1-CB 4.33Å; Y335-I351 HydrophobicContact CE1-CD1 3.72Å; Y335-I351 HydrophobicContact CE1-CG1 3.92Å; Y335-I351 HydrophobicContact CE1-CG2 3.45Å; Y335-I351 VanDerWaalsContact CE1-CG2 3.45Å; L336-I351 HydrophobicContact CD2-CB 4.47Å; L336-I351 HydrophobicContact CD2-CG2 3.7Å; L336-I351 HydrophobicContact CG-CG2 4.32Å; V339-I351 HydrophobicContact CB-CD1 4.44Å; V339-I351 HydrophobicContact CG1-CD1 3.86Å; V339-I351 HydrophobicContact CG2-CD1 3.74Å; T347-I351 WeakPolarHBondContact O-CG1 3.23Å; T347-I351 PolarHBondContact O-N 2.9Å; T347-I351 VanDerWaalsContact O-N 3.14Å; V348-I351 PolarHBondContact O-N 3.44Å; R349-I351 PolarHBondContact O-N 2.88Å; I351-R354 PolarHBondContact O-N 3.24Å; I351-A355 WeakPolarHBondContact O-CB 3.48Å; I351-A355 PolarHBondContact O-N 3Å
352	Y	77.8	Confident	73.4	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-44.4	171.1	-94.3	-63.8	0	0	0	112.3	L336 E340 V348 R349 A355 I356 L374 N377 Y378 Y381	L336-Y352 HydrophobicContact CD1-CD1 3.78Å; L336-Y352 HydrophobicContact CD1-CE1 3.44Å; L336-Y352 VanDerWaalsContact CD1-CE1 3.44Å; L336-Y352 HydrophobicContact CD1-CG 4.49Å; L336-Y352 HydrophobicContact CD2-CD1 3.93Å; L336-Y352 HydrophobicContact CD2-CD2 3.68Å; L336-Y352 HydrophobicContact CD2-CE1 3.93Å; L336-Y352 HydrophobicContact CD2-CE2 3.65Å; L336-Y352 HydrophobicContact CD2-CG 3.81Å; L336-Y352 HydrophobicContact CG-CE1 4.27Å; E340-Y352 PolarHBondContact OE1-OH 3.43Å; V348-Y352 HydrophobicContact CG1-CD2 3.84Å; V348-Y352 HydrophobicContact CG1-CE2 3.87Å; V348-Y352 WeakPolarHBondContact O-CD2 3.32Å; V348-Y352 PolarHBondContact O-N 3.08Å; R349-Y352 PolarHBondContact O-N 3.45Å; Y352-A355 WeakPolarHBondContact O-CB 3.49Å; Y352-A355 PolarHBondContact O-N 2.85Å; Y352-I356 VanDerWaalsContact O-CB 3.32Å; Y352-I356 WeakPolarHBondContact O-CB 3.36Å; Y352-I356 WeakPolarHBondContact O-CD1 3.44Å; Y352-I356 VanDerWaalsContact O-CG1 3.28Å; Y352-I356 WeakPolarHBondContact O-CG1 3.46Å; Y352-I356 PolarHBondContact O-N 3.44Å; Y352-L374 HydrophobicContact CE1-CD1 4.4Å; Y352-N377 HydrophobicContact CE1-CB 4.35Å; Y352-N377 WeakPolarHBondContact OH-CB 3.41Å; Y352-Y378 VanDerWaalsContact CD1-CB 3.49Å; Y352-Y378 HydrophobicContact CD1-CD2 4.01Å; Y352-Y378 AromaticContact CD1-CG 3.83Å; Y352-Y378 HydrophobicContact CD1-CG 3.83Å; Y352-Y378 AromaticContact CD2-CD2 3.62Å; Y352-Y378 HydrophobicContact CD2-CD2 3.62Å; Y352-Y378 HydrophobicContact CD2-CE2 4.27Å; Y352-Y378 HydrophobicContact CD2-CG 4.3Å; Y352-Y378 HydrophobicContact CE1-CG 4.37Å; Y352-Y378 HydrophobicContact CE2-CD2 4.22Å; Y352-Y378 AromaticContact CG-CD2 3.53Å; Y352-Y378 HydrophobicContact CG-CD2 3.53Å; Y352-Y378 HydrophobicContact CG-CE2 4.22Å; Y352-Y378 AromaticContact CG-CG 3.79Å; Y352-Y378 HydrophobicContact CG-CG 3.79Å; Y352-Y381 HydrophobicContact CE2-CD1 4.38Å; Y352-Y381 HydrophobicContact CE2-CG 4.11Å
353	E	78.6	Confident	73.8	Confident	95 Å²	95	56 Å²	56	44%	0.444	31%	0.306	S	S	.	.	H	α-helix	trans	-66.4	-38.9	178.4	-72.4	176.9	-172.7	0	0	111.9	R349 E350 I356 A357 R391	R349-E353 WeakPolarHBondContact O-CB 3.39Å; R349-E353 WeakPolarHBondContact O-CG 3.45Å; R349-E353 PolarHBondContact O-N 2.96Å; E350-E353 PolarHBondContact O-N 2.72Å; E353-I356 PolarHBondContact O-N 2.88Å; E353-A357 PolarHBondContact O-N 3.45Å; E353-R391 IonicContact OE1-CZ 2.7Å; E353-R391 IonicContact OE1-NH2 3.76Å; E353-R391 PolarHBondContact OE1-NH2 3.22Å
354	R	80.1	Confident	74.5	Confident	87 Å²	87	58.7 Å²	58.7	33%	0.328	32%	0.316	S	S	.	.	H	α-helix	trans	-65.5	-37.5	171.6	-75.3	166.9	54.9	-177.4	-6.2	112.9	W332 E350 I351 N358	W332-R354 HydrophobicContact CH2-CB 3.97Å; W332-R354 HydrophobicContact CZ3-CB 4.34Å; E350-R354 WeakPolarHBondContact O-CB 3.43Å; E350-R354 WeakPolarHBondContact O-CD 3.27Å; E350-R354 WeakPolarHBondContact O-CG 3.21Å; E350-R354 PolarHBondContact O-N 3.24Å; E350-R354 WeakPolarHBondContact OE1-CD 3.38Å; E350-R354 IonicContact OE1-CZ 3.6Å; E350-R354 IonicContact OE1-NE 2.63Å; E350-R354 IonicContact OE1-NH1 3.97Å; E350-R354 PolarHBondContact OE1-NH1 2.95Å; I351-R354 PolarHBondContact O-N 3.24Å; R354-N358 PolarHBondContact O-ND2 2.68Å
355	A	76.9	Confident	74.6	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.7	-41.9	174.6	0	0	0	0	0	111.1	W332 I351 Y352 N358 L374	W332-A355 HydrophobicContact CD2-CB 3.67Å; W332-A355 HydrophobicContact CE3-CB 3.37Å; W332-A355 HydrophobicContact CG-CB 4.24Å; W332-A355 HydrophobicContact CH2-CB 4.21Å; W332-A355 HydrophobicContact CZ2-CB 4.47Å; W332-A355 HydrophobicContact CZ3-CB 3.67Å; I351-A355 WeakPolarHBondContact O-CB 3.48Å; I351-A355 PolarHBondContact O-N 3Å; Y352-A355 WeakPolarHBondContact O-CB 3.49Å; Y352-A355 PolarHBondContact O-N 2.85Å; A355-N358 PolarHBondContact O-N 2.71Å; A355-L374 HydrophobicContact CB-CD1 3.97Å; A355-L374 HydrophobicContact CB-CD2 3.68Å; A355-L374 HydrophobicContact CB-CG 4.33Å
356	I	75.1	Confident	75	Confident	22 Å²	22	65.4 Å²	65.4	11%	0.113	33%	0.327	C	S	.	.	H	α-helix	trans	-64.6	-36.8	178.1	-80.1	166	0	0	0	112.5	Y352 E353 N358 Y371 L374 W375 Y378	Y352-I356 VanDerWaalsContact O-CB 3.32Å; Y352-I356 WeakPolarHBondContact O-CB 3.36Å; Y352-I356 WeakPolarHBondContact O-CD1 3.44Å; Y352-I356 VanDerWaalsContact O-CG1 3.28Å; Y352-I356 WeakPolarHBondContact O-CG1 3.46Å; Y352-I356 PolarHBondContact O-N 3.44Å; E353-I356 PolarHBondContact O-N 2.88Å; I356-N358 PolarHBondContact O-N 3.36Å; I356-N358 VanDerWaalsContact O-N 3.11Å; I356-Y371 PolarHBondContact O-OH 2.77Å; I356-L374 HydrophobicContact CG1-CD2 4.27Å; I356-W375 HydrophobicContact CB-CZ2 4.23Å; I356-W375 HydrophobicContact CD1-CD2 4.08Å; I356-W375 HydrophobicContact CD1-CE3 4.02Å; I356-W375 HydrophobicContact CD1-CH2 4Å; I356-W375 HydrophobicContact CD1-CZ2 4.04Å; I356-W375 HydrophobicContact CD1-CZ3 3.98Å; I356-W375 HydrophobicContact CG1-CD2 4.22Å; I356-W375 HydrophobicContact CG1-CH2 4.44Å; I356-W375 HydrophobicContact CG1-CZ2 3.98Å; I356-W375 HydrophobicContact CG2-CH2 3.79Å; I356-W375 HydrophobicContact CG2-CZ2 3.27Å; I356-Y378 HydrophobicContact CD1-CD1 3.5Å; I356-Y378 HydrophobicContact CD1-CE1 4Å; I356-Y378 HydrophobicContact CD1-CG 4.37Å
357	A	76.6	Confident	75	Confident	74 Å²	74	64.6 Å²	64.6	61%	0.612	32%	0.319	S	S	*	.	H	α-helix	trans	-58.7	-24.9	177.8	0	0	0	0	0	113.4	E353 V359	E353-A357 PolarHBondContact O-N 3.45Å; A357-V359 VanDerWaalsContact C-N 3.27Å; A357-V359 PolarHBondContact O-N 3.47Å
358	N	73.6	Confident	75.2	Confident	41 Å²	41	62.8 Å²	62.8	22%	0.219	31%	0.307	C	S	.	.	S	Bend	trans	-84	61.7	-179.2	-71.4	-72.2	0	0	0	112.5	P326 Y329 W332 R354 A355 I356	P326-N358 WeakPolarHBondContact CB-OD1 3.24Å; Y329-N358 WeakPolarHBondContact CE1-O 3.41Å; Y329-N358 PolarHBondContact OH-O 2.92Å; W332-N358 WeakPolarHBondContact CZ2-ND2 3.37Å; R354-N358 PolarHBondContact O-ND2 2.68Å; A355-N358 PolarHBondContact O-N 2.71Å; I356-N358 PolarHBondContact O-N 3.36Å; I356-N358 VanDerWaalsContact O-N 3.11Å
359	V	74.4	Confident	75.4	Confident	61 Å²	61	69.3 Å²	69.3	37%	0.37	33%	0.332	S	S	.	.			trans	-55.6	134.2	177.7	-176.8	0	0	0	0	111.1	A357 P361 W368	A357-V359 VanDerWaalsContact C-N 3.27Å; A357-V359 PolarHBondContact O-N 3.47Å; V359-P361 WeakPolarHBondContact O-CD 3.15Å; V359-W368 HydrophobicContact CG1-CH2 3.97Å; V359-W368 HydrophobicContact CG1-CZ2 3.98Å
360	P	73.5	Confident	75.4	Confident	6 Å²	6	73.6 Å²	73.6	4%	0.039	35%	0.348	C	S	.	.			trans	-65.2	123.3	-179.8	-14.3	24	0	0	0	111.6	Y329 I362 W368 Y371	Y329-P360 HydrophobicContact CE2-CB 4.49Å; Y329-P360 HydrophobicContact CE2-CG 4.21Å; Y329-P360 WeakPolarHBondContact OH-CA 3.49Å; Y329-P360 WeakPolarHBondContact OH-CG 3.45Å; P360-I362 VanDerWaalsContact C-N 3.29Å; P360-I362 PolarHBondContact O-N 3.22Å; P360-W368 HydrophobicContact CG-CD2 4.21Å; P360-W368 HydrophobicContact CG-CG 4.28Å; P360-Y371 HydrophobicContact CG-CD1 3.99Å; P360-Y371 HydrophobicContact CG-CD2 4.22Å; P360-Y371 HydrophobicContact CG-CG 3.69Å
361	P	71.6	Confident	75.4	Confident	101 Å²	101	69 Å²	69	66%	0.656	33%	0.327	S	S	*	.	S	Bend	trans	-68.4	-28.3	-176	25.3	-33.7	0	0	0	113	V359	V359-P361 WeakPolarHBondContact O-CD 3.15Å
362	I	74.4	Confident	75.4	Confident	89 Å²	89	69.1 Å²	69.1	46%	0.456	33%	0.328	S	S	.	.	S	Bend	trans	-89.1	121.1	178.4	-56.6	176.4	0	0	0	109.2	P360 E364 W368	P360-I362 VanDerWaalsContact C-N 3.29Å; P360-I362 PolarHBondContact O-N 3.22Å; I362-E364 HydrophobicContact CG2-CB 3.94Å; I362-E364 HydrophobicContact CG2-CG 3.85Å; I362-E364 PolarHBondContact O-N 2.99Å; I362-W368 VanDerWaalsContact O-CD1 3.24Å; I362-W368 PolarHBondContact O-NE1 3.49Å
363	Q	69.4	Low	75.5	Confident	95 Å²	95	73.9 Å²	73.9	44%	0.444	35%	0.346	S	S	.	.			trans	-80.7	48.4	-179.8	-66.7	-176.8	-7.3	0	0	112.8	K407 F408	Q363-K407 HydrophobicContact CB-CD 4.36Å; Q363-F408 HydrophobicContact CB-CE1 4.22Å; Q363-F408 VanDerWaalsContact O-CE1 3.29Å; Q363-F408 WeakPolarHBondContact O-CE1 3.13Å
364	E	73.6	Confident	75.6	Confident	101 Å²	101	69.3 Å²	69.3	47%	0.472	33%	0.325	S	S	.	.			trans	-106.8	139.2	177.3	-85.5	-169.6	-142	0	0	113	I362 R366 H367 W368	I362-E364 HydrophobicContact CG2-CB 3.94Å; I362-E364 HydrophobicContact CG2-CG 3.85Å; I362-E364 PolarHBondContact O-N 2.99Å; E364-R366 PolarHBondContact O-N 3.19Å; E364-H367 PolarHBondContact O-N 3.01Å; E364-W368 VanDerWaalsContact O-CD1 3.29Å; E364-W368 PolarHBondContact O-N 3.04Å
365	K	69.3	Low	75.8	Confident	113 Å²	113	66 Å²	66	49%	0.491	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.8	178.6	-171.1	-173.7	172.4	-166.1	0	113.7	R369 F408 F410	K365-R369 WeakPolarHBondContact O-CG 3.3Å; K365-F408 HydrophobicContact CB-CB 4.35Å; K365-F410 HydrophobicContact CG-CE1 4.29Å; K365-F410 HydrophobicContact CG-CZ 4.26Å
366	R	73.1	Confident	76	Confident	193 Å²	193	66.3 Å²	66.3	73%	0.728	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-62.4	176.2	-72	-178.7	174.2	-173.2	-1.8	110.9	E364 W368 R369	E364-R366 PolarHBondContact O-N 3.19Å; R366-W368 VanDerWaalsContact C-N 3.31Å; R366-W368 PolarHBondContact O-N 2.79Å; R366-R369 WeakPolarHBondContact O-CB 3.39Å; R366-R369 PolarHBondContact O-N 3.29Å; R366-R369 VanDerWaalsContact O-N 3.07Å
367	H	72.1	Confident	76.3	Confident	95 Å²	95	67.6 Å²	67.6	44%	0.44	32%	0.321	S	S	.	.	H	α-helix	trans	-61.3	-38.2	-179.3	-57.8	-72.7	0	0	0	112.6	E364 R369 R370	E364-H367 PolarHBondContact O-N 3.01Å; H367-R369 PolarHBondContact O-N 2.86Å; H367-R369 VanDerWaalsContact O-N 3.17Å; H367-R370 PolarHBondContact O-N 3.21Å
368	W	77.8	Confident	76.4	Confident	6 Å²	6	64.4 Å²	64.4	2%	0.023	29%	0.293	C	S	.	.	H	α-helix	trans	-67	-12.6	177	-77	70.1	0	0	0	114.5	V359 P360 I362 E364 R366 Y371 V372 I403 P404 F408 F410	V359-W368 HydrophobicContact CG1-CH2 3.97Å; V359-W368 HydrophobicContact CG1-CZ2 3.98Å; P360-W368 HydrophobicContact CG-CD2 4.21Å; P360-W368 HydrophobicContact CG-CG 4.28Å; I362-W368 VanDerWaalsContact O-CD1 3.24Å; I362-W368 PolarHBondContact O-NE1 3.49Å; E364-W368 VanDerWaalsContact O-CD1 3.29Å; E364-W368 PolarHBondContact O-N 3.04Å; R366-W368 VanDerWaalsContact C-N 3.31Å; R366-W368 PolarHBondContact O-N 2.79Å; W368-Y371 AromaticContact CE3-CD1 3.95Å; W368-Y371 HydrophobicContact CE3-CD1 3.95Å; W368-Y371 HydrophobicContact CE3-CE1 4.39Å; W368-Y371 HydrophobicContact CZ3-CD1 4.07Å; W368-Y371 HydrophobicContact CZ3-CE1 4.03Å; W368-V372 VanDerWaalsContact O-CB 3.25Å; W368-V372 WeakPolarHBondContact O-CB 3.48Å; W368-V372 WeakPolarHBondContact O-CG2 3.36Å; W368-V372 PolarHBondContact O-N 3.49Å; W368-I403 HydrophobicContact CE3-CG1 4.45Å; W368-I403 HydrophobicContact CZ3-CG1 4.24Å; W368-P404 HydrophobicContact CH2-CG 4.21Å; W368-P404 HydrophobicContact CZ2-CG 4.37Å; W368-F408 HydrophobicContact CB-CE2 3.88Å; W368-F408 HydrophobicContact CB-CZ 4.08Å; W368-F408 AromaticContact CD1-CZ 3.78Å; W368-F408 AromaticContact CD2-CE2 3.72Å; W368-F408 HydrophobicContact CD2-CE2 3.72Å; W368-F408 AromaticContact CD2-CZ 3.43Å; W368-F408 HydrophobicContact CD2-CZ 3.43Å; W368-F408 VanDerWaalsContact CD2-CZ 3.43Å; W368-F408 AromaticContact CE2-CZ 3.75Å; W368-F408 AromaticContact CE3-CE2 3.82Å; W368-F408 HydrophobicContact CE3-CE2 3.82Å; W368-F408 AromaticContact CE3-CZ 3.9Å; W368-F408 HydrophobicContact CE3-CZ 3.9Å; W368-F408 HydrophobicContact CG-CE1 4.44Å; W368-F408 AromaticContact CG-CE2 3.73Å; W368-F408 HydrophobicContact CG-CE2 3.73Å; W368-F408 AromaticContact CG-CZ 3.49Å; W368-F408 HydrophobicContact CG-CZ 3.49Å; W368-F408 VanDerWaalsContact CG-CZ 3.49Å; W368-F408 HydrophobicContact CZ2-CZ 4.44Å; W368-F408 AromaticContact NE1-CZ 3.93Å; W368-F410 HydrophobicContact CB-CE2 3.86Å; W368-F410 HydrophobicContact CB-CZ 3.76Å
369	R	79.1	Confident	76.6	Confident	138 Å²	138	62.4 Å²	62.4	52%	0.521	28%	0.283	S	S	.	.	H	α-helix	trans	-63.7	-49.8	172	-76.5	169.3	-163.2	-148.5	9.2	111.7	K365 R366 H367 V372 Y373 F410	K365-R369 WeakPolarHBondContact O-CG 3.3Å; R366-R369 WeakPolarHBondContact O-CB 3.39Å; R366-R369 PolarHBondContact O-N 3.29Å; R366-R369 VanDerWaalsContact O-N 3.07Å; H367-R369 PolarHBondContact O-N 2.86Å; H367-R369 VanDerWaalsContact O-N 3.17Å; R369-V372 PolarHBondContact O-N 3Å; R369-Y373 VanDerWaalsContact O-CD2 3.3Å; R369-Y373 WeakPolarHBondContact O-CD2 3.43Å; R369-Y373 PolarHBondContact O-N 3.39Å; R369-F410 HydrophobicContact CG-CE1 3.82Å; R369-F410 HydrophobicContact CG-CZ 4.47Å
370	R	77	Confident	76.9	Confident	126 Å²	126	62.3 Å²	62.3	48%	0.475	28%	0.28	S	S	.	.	H	α-helix	trans	-62.6	-49	-178.5	-70.6	-77	-167.7	178.2	2.7	110.1	Y329 D330 F333 H367 V372 Y373 L374	Y329-R370 HydrophobicContact CD2-CB 4.1Å; Y329-R370 HydrophobicContact CG-CB 4.12Å; D330-R370 WeakPolarHBondContact OD1-CD 3.2Å; D330-R370 IonicContact OD1-CZ 2.66Å; D330-R370 IonicContact OD1-NE 3.43Å; D330-R370 PolarHBondContact OD1-NE 2.8Å; D330-R370 IonicContact OD1-NH1 2.96Å; D330-R370 PolarHBondContact OD1-NH1 3.25Å; D330-R370 IonicContact OD1-NH2 2.66Å; D330-R370 PolarHBondContact OD1-NH2 2.69Å; D330-R370 IonicContact OD2-CZ 2.74Å; D330-R370 IonicContact OD2-NE 3.54Å; D330-R370 PolarHBondContact OD2-NE 3.46Å; D330-R370 IonicContact OD2-NH1 2.76Å; D330-R370 IonicContact OD2-NH2 2.74Å; D330-R370 PolarHBondContact OD2-NH2 2.86Å; F333-R370 HydrophobicContact CE2-CB 4.39Å; F333-R370 WeakPolarHBondContact CZ-O 3.46Å; H367-R370 PolarHBondContact O-N 3.21Å; R370-V372 VanDerWaalsContact C-N 3.33Å; R370-V372 PolarHBondContact O-N 3.24Å; R370-Y373 WeakPolarHBondContact O-CA 3.48Å; R370-Y373 WeakPolarHBondContact O-CB 3.47Å; R370-Y373 PolarHBondContact O-N 2.99Å; R370-L374 PolarHBondContact O-N 3.28Å
371	Y	79.8	Confident	77.2	Confident	3 Å²	3	62.6 Å²	62.6	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-59.4	-38.3	175.3	-176.3	-109.4	0	0	0	113.2	Y329 I356 P360 W368 L374 W375	Y329-Y371 HydrophobicContact CD1-CD2 4.42Å; Y329-Y371 AromaticContact CE1-CD2 3.79Å; Y329-Y371 HydrophobicContact CE1-CD2 3.79Å; I356-Y371 PolarHBondContact O-OH 2.77Å; P360-Y371 HydrophobicContact CG-CD1 3.99Å; P360-Y371 HydrophobicContact CG-CD2 4.22Å; P360-Y371 HydrophobicContact CG-CG 3.69Å; W368-Y371 AromaticContact CE3-CD1 3.95Å; W368-Y371 HydrophobicContact CE3-CD1 3.95Å; W368-Y371 HydrophobicContact CE3-CE1 4.39Å; W368-Y371 HydrophobicContact CZ3-CD1 4.07Å; W368-Y371 HydrophobicContact CZ3-CE1 4.03Å; Y371-L374 HydrophobicContact CD2-CD2 4.29Å; Y371-L374 HydrophobicContact CE2-CD2 4.49Å; Y371-L374 WeakPolarHBondContact O-CB 3.27Å; Y371-L374 PolarHBondContact O-N 3.06Å; Y371-W375 AromaticContact CE1-CD1 3.78Å; Y371-W375 AromaticContact CE1-NE1 3.41Å; Y371-W375 AromaticContact CE2-NE1 3.85Å; Y371-W375 AromaticContact CZ-CD1 3.87Å; Y371-W375 AromaticContact CZ-NE1 3.19Å; Y371-W375 PolarHBondContact O-N 3.02Å; Y371-W375 PolarHBondContact OH-NE1 3.27Å; Y371-W375 VanDerWaalsContact OH-NE1 3.1Å
372	V	79.3	Confident	77.3	Confident	6 Å²	6	57.8 Å²	57.8	4%	0.036	25%	0.249	C	C	.	.	H	α-helix	trans	-67.6	-33.2	172.9	154.5	0	0	0	0	112.9	W368 R369 R370 W375 I376 I403 F410 I413	W368-V372 VanDerWaalsContact O-CB 3.25Å; W368-V372 WeakPolarHBondContact O-CB 3.48Å; W368-V372 WeakPolarHBondContact O-CG2 3.36Å; W368-V372 PolarHBondContact O-N 3.49Å; R369-V372 PolarHBondContact O-N 3Å; R370-V372 VanDerWaalsContact C-N 3.33Å; R370-V372 PolarHBondContact O-N 3.24Å; V372-W375 PolarHBondContact O-N 3.16Å; V372-I376 HydrophobicContact CG1-CD1 3.89Å; V372-I376 WeakPolarHBondContact O-CG1 3.39Å; V372-I376 PolarHBondContact O-N 2.72Å; V372-I403 HydrophobicContact CG2-CD1 4.09Å; V372-F410 HydrophobicContact CB-CD2 4.46Å; V372-F410 HydrophobicContact CG1-CB 4.34Å; V372-F410 HydrophobicContact CG1-CD1 4.41Å; V372-F410 HydrophobicContact CG1-CG 4.18Å; V372-F410 HydrophobicContact CG2-CD2 3.63Å; V372-F410 HydrophobicContact CG2-CE2 3.77Å; V372-F410 HydrophobicContact CG2-CG 4.11Å; V372-F410 HydrophobicContact CG2-CZ 4.39Å; V372-I413 HydrophobicContact CB-CD1 4.12Å; V372-I413 HydrophobicContact CG1-CD1 3.42Å; V372-I413 VanDerWaalsContact CG1-CD1 3.42Å; V372-I413 HydrophobicContact CG1-CG1 3.73Å; V372-I413 HydrophobicContact CG2-CD1 3.67Å
373	Y	80.8	Confident	77.3	Confident	99 Å²	99	54.7 Å²	54.7	39%	0.388	23%	0.233	S	C	.	.	H	α-helix	trans	-68.7	-33.7	173.2	-86.8	-64.7	0	0	0	112.7	R369 R370 W375 I376 N377 K412	R369-Y373 VanDerWaalsContact O-CD2 3.3Å; R369-Y373 WeakPolarHBondContact O-CD2 3.43Å; R369-Y373 PolarHBondContact O-N 3.39Å; R370-Y373 WeakPolarHBondContact O-CA 3.48Å; R370-Y373 WeakPolarHBondContact O-CB 3.47Å; R370-Y373 PolarHBondContact O-N 2.99Å; Y373-W375 VanDerWaalsContact C-N 3.35Å; Y373-W375 PolarHBondContact O-N 3.27Å; Y373-I376 HydrophobicContact CD1-CD1 4.14Å; Y373-I376 HydrophobicContact CE1-CD1 4.26Å; Y373-I376 PolarHBondContact O-N 2.87Å; Y373-N377 PolarHBondContact O-N 3.28Å; Y373-N377 PolarHBondContact O-OD1 3.17Å; Y373-N377 VanDerWaalsContact O-OD1 3.12Å; Y373-K412 HydrophobicContact CE1-CD 4.39Å; Y373-K412 PolarHBondContact OH-NZ 3.16Å
374	L	81.3	Confident	77.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57.6	-46.9	170.9	-175	77.4	0	0	0	111.5	F333 L336 Y352 A355 I356 R370 Y371 N377 Y378	F333-L374 HydrophobicContact CE1-CB 4.32Å; F333-L374 HydrophobicContact CE1-CD1 4.41Å; F333-L374 HydrophobicContact CZ-CB 4.25Å; L336-L374 HydrophobicContact CD1-CD1 3.38Å; Y352-L374 HydrophobicContact CE1-CD1 4.4Å; A355-L374 HydrophobicContact CB-CD1 3.97Å; A355-L374 HydrophobicContact CB-CD2 3.68Å; A355-L374 HydrophobicContact CB-CG 4.33Å; I356-L374 HydrophobicContact CG1-CD2 4.27Å; R370-L374 PolarHBondContact O-N 3.28Å; Y371-L374 HydrophobicContact CD2-CD2 4.29Å; Y371-L374 HydrophobicContact CE2-CD2 4.49Å; Y371-L374 WeakPolarHBondContact O-CB 3.27Å; Y371-L374 PolarHBondContact O-N 3.06Å; L374-N377 PolarHBondContact O-N 2.93Å; L374-Y378 PolarHBondContact O-N 3.43Å
375	W	82.8	Confident	77.3	Confident	16 Å²	16	55.9 Å²	55.9	6%	0.061	24%	0.241	C	C	.	.	H	α-helix	trans	-64.6	-36.1	174.9	-82.1	97.2	0	0	0	113.7	I356 Y371 V372 Y373 A379 V395 A398 C399 L402	I356-W375 HydrophobicContact CB-CZ2 4.23Å; I356-W375 HydrophobicContact CD1-CD2 4.08Å; I356-W375 HydrophobicContact CD1-CE3 4.02Å; I356-W375 HydrophobicContact CD1-CH2 4Å; I356-W375 HydrophobicContact CD1-CZ2 4.04Å; I356-W375 HydrophobicContact CD1-CZ3 3.98Å; I356-W375 HydrophobicContact CG1-CD2 4.22Å; I356-W375 HydrophobicContact CG1-CH2 4.44Å; I356-W375 HydrophobicContact CG1-CZ2 3.98Å; I356-W375 HydrophobicContact CG2-CH2 3.79Å; I356-W375 HydrophobicContact CG2-CZ2 3.27Å; Y371-W375 AromaticContact CE1-CD1 3.78Å; Y371-W375 AromaticContact CE1-NE1 3.41Å; Y371-W375 AromaticContact CE2-NE1 3.85Å; Y371-W375 AromaticContact CZ-CD1 3.87Å; Y371-W375 AromaticContact CZ-NE1 3.19Å; Y371-W375 PolarHBondContact O-N 3.02Å; Y371-W375 PolarHBondContact OH-NE1 3.27Å; Y371-W375 VanDerWaalsContact OH-NE1 3.1Å; V372-W375 PolarHBondContact O-N 3.16Å; Y373-W375 VanDerWaalsContact C-N 3.35Å; Y373-W375 PolarHBondContact O-N 3.27Å; W375-A379 WeakPolarHBondContact O-CB 3.46Å; W375-A379 PolarHBondContact O-N 3.49Å; W375-A379 VanDerWaalsContact O-N 3.11Å; W375-V395 HydrophobicContact CE3-CG1 3.7Å; W375-V395 HydrophobicContact CZ3-CB 4.44Å; W375-V395 HydrophobicContact CZ3-CG1 3.84Å; W375-V395 WeakPolarHBondContact CZ3-O 3.23Å; W375-A398 HydrophobicContact CH2-CB 3.72Å; W375-A398 HydrophobicContact CZ3-CB 4.04Å; W375-C399 HydrophobicContact CB-CB 4.34Å; W375-C399 VanDerWaalsContact CB-SG 3.57Å; W375-C399 HydrophobicContact CD2-CB 3.7Å; W375-C399 HydrophobicContact CE3-CB 3.61Å; W375-C399 HydrophobicContact CG-CB 4.06Å; W375-C399 VanDerWaalsContact CG-SG 3.52Å; W375-C399 HydrophobicContact CZ3-CB 4.13Å; W375-L402 HydrophobicContact CH2-CD1 4.15Å; W375-L402 HydrophobicContact CZ2-CD1 3.43Å; W375-L402 VanDerWaalsContact CZ2-CD1 3.43Å
376	I	82.8	Confident	77.1	Confident	7 Å²	7	52.3 Å²	52.3	4%	0.036	23%	0.229	C	C	.	.	H	α-helix	trans	-67.6	-42.3	175.2	-71.3	166	0	0	0	110.4	V372 Y373 A379 L380 K412 I413 L416	V372-I376 HydrophobicContact CG1-CD1 3.89Å; V372-I376 WeakPolarHBondContact O-CG1 3.39Å; V372-I376 PolarHBondContact O-N 2.72Å; Y373-I376 HydrophobicContact CD1-CD1 4.14Å; Y373-I376 HydrophobicContact CE1-CD1 4.26Å; Y373-I376 PolarHBondContact O-N 2.87Å; I376-A379 PolarHBondContact O-N 2.79Å; I376-L380 HydrophobicContact CG2-CD1 3.84Å; I376-L380 HydrophobicContact CG2-CG 4.42Å; I376-L380 WeakPolarHBondContact O-CB 3.32Å; I376-L380 VanDerWaalsContact O-CG 3.3Å; I376-L380 WeakPolarHBondContact O-CG 3.44Å; I376-L380 PolarHBondContact O-N 3.18Å; I376-K412 HydrophobicContact CD1-CD 4.42Å; I376-K412 HydrophobicContact CD1-CG 4.33Å; I376-I413 HydrophobicContact CD1-CG1 4.19Å; I376-I413 HydrophobicContact CG1-CG1 4.27Å; I376-L416 HydrophobicContact CD1-CD1 4.02Å; I376-L416 HydrophobicContact CG1-CD1 4.02Å; I376-L416 HydrophobicContact CG2-CD1 3.9Å
377	N	80.7	Confident	77	Confident	49 Å²	49	52.3 Å²	52.3	26%	0.262	23%	0.229	S	C	.	.	H	α-helix	trans	-63.6	-46.1	177	-71.8	21.5	0	0	0	111.1	Y352 Y373 L374 A379 L380 Y381	Y352-N377 HydrophobicContact CE1-CB 4.35Å; Y352-N377 WeakPolarHBondContact OH-CB 3.41Å; Y373-N377 PolarHBondContact O-N 3.28Å; Y373-N377 PolarHBondContact O-OD1 3.17Å; Y373-N377 VanDerWaalsContact O-OD1 3.12Å; L374-N377 PolarHBondContact O-N 2.93Å; N377-A379 VanDerWaalsContact C-N 3.31Å; N377-A379 PolarHBondContact O-N 3.3Å; N377-L380 PolarHBondContact O-N 2.81Å; N377-L380 VanDerWaalsContact O-N 3.08Å; N377-Y381 WeakPolarHBondContact O-CB 3.19Å; N377-Y381 PolarHBondContact O-N 3.25Å
378	Y	79.1	Confident	77.3	Confident	7 Å²	7	50.3 Å²	50.3	3%	0.027	22%	0.221	C	C	.	.	H	α-helix	trans	-59.1	-41.6	176.5	-173.7	-149.5	0	0	0	112.5	R349 Y352 I356 L374 L380 Y381 E382 R391 V395	R349-Y378 HydrophobicContact CG-CE2 4.41Å; Y352-Y378 VanDerWaalsContact CD1-CB 3.49Å; Y352-Y378 HydrophobicContact CD1-CD2 4.01Å; Y352-Y378 AromaticContact CD1-CG 3.83Å; Y352-Y378 HydrophobicContact CD1-CG 3.83Å; Y352-Y378 AromaticContact CD2-CD2 3.62Å; Y352-Y378 HydrophobicContact CD2-CD2 3.62Å; Y352-Y378 HydrophobicContact CD2-CE2 4.27Å; Y352-Y378 HydrophobicContact CD2-CG 4.3Å; Y352-Y378 HydrophobicContact CE1-CG 4.37Å; Y352-Y378 HydrophobicContact CE2-CD2 4.22Å; Y352-Y378 AromaticContact CG-CD2 3.53Å; Y352-Y378 HydrophobicContact CG-CD2 3.53Å; Y352-Y378 HydrophobicContact CG-CE2 4.22Å; Y352-Y378 AromaticContact CG-CG 3.79Å; Y352-Y378 HydrophobicContact CG-CG 3.79Å; I356-Y378 HydrophobicContact CD1-CD1 3.5Å; I356-Y378 HydrophobicContact CD1-CE1 4Å; I356-Y378 HydrophobicContact CD1-CG 4.37Å; L374-Y378 PolarHBondContact O-N 3.43Å; Y378-L380 VanDerWaalsContact C-N 3.33Å; Y378-L380 PolarHBondContact O-N 3.09Å; Y378-Y381 PolarHBondContact O-N 2.9Å; Y378-E382 HydrophobicContact CD2-CG 3.92Å; Y378-E382 HydrophobicContact CE2-CG 3.47Å; Y378-E382 VanDerWaalsContact CE2-CG 3.47Å; Y378-E382 WeakPolarHBondContact CE2-OE1 3.42Å; Y378-E382 PolarHBondContact O-N 3.36Å; Y378-E382 PolarHBondContact OH-OE1 2.88Å; Y378-R391 PolarHBondContact OH-NE 3.5Å; Y378-V395 HydrophobicContact CD1-CB 4.41Å; Y378-V395 HydrophobicContact CD1-CG1 3.65Å; Y378-V395 HydrophobicContact CD1-CG2 3.76Å; Y378-V395 HydrophobicContact CE1-CB 4.47Å; Y378-V395 HydrophobicContact CE1-CG1 4.18Å; Y378-V395 HydrophobicContact CE1-CG2 3.4Å; Y378-V395 HydrophobicContact CG-CG1 4.3Å
379	A	77.9	Confident	77.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-71.1	-25.1	177.5	0	0	0	0	0	113.7	W375 I376 N377 E383 V395 Y396	W375-A379 WeakPolarHBondContact O-CB 3.46Å; W375-A379 PolarHBondContact O-N 3.49Å; W375-A379 VanDerWaalsContact O-N 3.11Å; I376-A379 PolarHBondContact O-N 2.79Å; N377-A379 VanDerWaalsContact C-N 3.31Å; N377-A379 PolarHBondContact O-N 3.3Å; A379-E383 VanDerWaalsContact O-CB 3.28Å; A379-E383 WeakPolarHBondContact O-CB 3.46Å; A379-E383 PolarHBondContact O-N 3.17Å; A379-V395 HydrophobicContact CB-CG1 3.95Å; A379-Y396 HydrophobicContact CB-CD1 4.45Å; A379-Y396 HydrophobicContact CB-CD2 4.28Å; A379-Y396 HydrophobicContact CB-CE1 3.92Å; A379-Y396 HydrophobicContact CB-CE2 3.72Å
380	L	79.9	Confident	77.1	Confident	58 Å²	58	51.9 Å²	51.9	30%	0.304	24%	0.239	S	C	.	.	H	α-helix	trans	-79.1	-37	171.7	-72.8	169.3	0	0	0	111.6	I376 N377 Y378 E383 L384	I376-L380 HydrophobicContact CG2-CD1 3.84Å; I376-L380 HydrophobicContact CG2-CG 4.42Å; I376-L380 WeakPolarHBondContact O-CB 3.32Å; I376-L380 VanDerWaalsContact O-CG 3.3Å; I376-L380 WeakPolarHBondContact O-CG 3.44Å; I376-L380 PolarHBondContact O-N 3.18Å; N377-L380 PolarHBondContact O-N 2.81Å; N377-L380 VanDerWaalsContact O-N 3.08Å; Y378-L380 VanDerWaalsContact C-N 3.33Å; Y378-L380 PolarHBondContact O-N 3.09Å; L380-E383 PolarHBondContact O-N 3.05Å; L380-L384 WeakPolarHBondContact O-CB 3.38Å; L380-L384 VanDerWaalsContact O-CG 3.31Å; L380-L384 WeakPolarHBondContact O-CG 3.14Å; L380-L384 PolarHBondContact O-N 3.36Å
381	Y	78.8	Confident	77.1	Confident	13 Å²	13	49.1 Å²	49.1	5%	0.051	23%	0.228	C	C	.	.	H	α-helix	trans	-60.2	-53.6	174.7	179.5	-94.2	0	0	0	111.3	E340 A345 V348 Y352 N377 Y378 E383 L384 E385 T386	E340-Y381 HydrophobicContact CG-CD2 4.05Å; E340-Y381 HydrophobicContact CG-CE2 4.11Å; A345-Y381 WeakPolarHBondContact CA-OH 3.47Å; V348-Y381 HydrophobicContact CB-CE1 4.15Å; V348-Y381 HydrophobicContact CG1-CD1 4.32Å; V348-Y381 HydrophobicContact CG1-CD2 4.31Å; V348-Y381 HydrophobicContact CG1-CE1 3.81Å; V348-Y381 HydrophobicContact CG1-CE2 3.79Å; Y352-Y381 HydrophobicContact CE2-CD1 4.38Å; Y352-Y381 HydrophobicContact CE2-CG 4.11Å; N377-Y381 WeakPolarHBondContact O-CB 3.19Å; N377-Y381 PolarHBondContact O-N 3.25Å; Y378-Y381 PolarHBondContact O-N 2.9Å; Y381-E383 PolarHBondContact O-N 2.87Å; Y381-L384 PolarHBondContact O-N 3.04Å; Y381-E385 HydrophobicContact CD2-CB 4.45Å; Y381-E385 HydrophobicContact CD2-CG 4.34Å; Y381-E385 WeakPolarHBondContact CD2-OE1 3.44Å; Y381-E385 HydrophobicContact CE2-CB 4.21Å; Y381-E385 HydrophobicContact CE2-CG 4.27Å; Y381-E385 WeakPolarHBondContact CE2-OE2 3.3Å; Y381-E385 WeakPolarHBondContact O-CB 3.38Å; Y381-E385 PolarHBondContact O-N 2.87Å; Y381-T386 HydrophobicContact CD1-CG2 4.19Å; Y381-T386 HydrophobicContact CE1-CG2 3.61Å
382	E	75.1	Confident	77	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.3	-21.9	178.1	-64.2	-84.7	-162.3	0	0	112.7	R349 Y378 T386 R387 D388 R391 T392	R349-E382 WeakPolarHBondContact CG-OE1 3.49Å; R349-E382 IonicContact CZ-OE1 3.18Å; R349-E382 IonicContact CZ-OE2 3.42Å; R349-E382 IonicContact NE-OE1 3.27Å; R349-E382 PolarHBondContact NE-OE1 3.27Å; R349-E382 IonicContact NE-OE2 2.69Å; R349-E382 PolarHBondContact NE-OE2 3.4Å; R349-E382 IonicContact NH2-OE1 3.24Å; R349-E382 IonicContact NH2-OE2 2.73Å; R349-E382 PolarHBondContact NH2-OE2 3.49Å; Y378-E382 HydrophobicContact CD2-CG 3.92Å; Y378-E382 HydrophobicContact CE2-CG 3.47Å; Y378-E382 VanDerWaalsContact CE2-CG 3.47Å; Y378-E382 WeakPolarHBondContact CE2-OE1 3.42Å; Y378-E382 PolarHBondContact O-N 3.36Å; Y378-E382 PolarHBondContact OH-OE1 2.88Å; E382-T386 VanDerWaalsContact CA-OG1 3.29Å; E382-T386 WeakPolarHBondContact CA-OG1 3.27Å; E382-T386 PolarHBondContact O-OG1 3.46Å; E382-T386 VanDerWaalsContact OE2-CB 3.31Å; E382-T386 WeakPolarHBondContact OE2-CB 3.29Å; E382-T386 VanDerWaalsContact OE2-CG2 3.28Å; E382-T386 WeakPolarHBondContact OE2-CG2 3.48Å; E382-T386 PolarHBondContact OE2-OG1 2.88Å; E382-R387 WeakPolarHBondContact O-CA 3.42Å; E382-R387 PolarHBondContact O-N 3.32Å; E382-D388 PolarHBondContact O-N 3.41Å; E382-R391 VanDerWaalsContact OE1-CD 3.29Å; E382-R391 WeakPolarHBondContact OE1-CD 3.49Å; E382-R391 IonicContact OE1-NE 2.99Å; E382-R391 PolarHBondContact OE1-NE 2.93Å; E382-T392 WeakPolarHBondContact CB-OG1 3.45Å
383	E	73.9	Confident	77.1	Confident	24 Å²	24	51.8 Å²	51.8	11%	0.112	24%	0.238	C	C	.	.	H	α-helix	trans	-79.4	-43.9	174.2	-179.8	170.3	-140.5	0	0	113.1	A379 L380 Y381 T392 F420 R423	A379-E383 VanDerWaalsContact O-CB 3.28Å; A379-E383 WeakPolarHBondContact O-CB 3.46Å; A379-E383 PolarHBondContact O-N 3.17Å; L380-E383 PolarHBondContact O-N 3.05Å; Y381-E383 PolarHBondContact O-N 2.87Å; E383-T392 HydrophobicContact CB-CG2 4.42Å; E383-F420 WeakPolarHBondContact OE1-CD2 3.42Å; E383-R423 VanDerWaalsContact CD-NH2 3.29Å; E383-R423 IonicContact OE1-CZ 2.77Å; E383-R423 IonicContact OE1-NE 2.66Å; E383-R423 IonicContact OE1-NH1 2.81Å; E383-R423 PolarHBondContact OE1-NH1 3.3Å; E383-R423 IonicContact OE1-NH2 2.97Å; E383-R423 PolarHBondContact OE1-NH2 3.02Å; E383-R423 IonicContact OE2-CZ 3.15Å; E383-R423 IonicContact OE2-NH1 3.72Å; E383-R423 PolarHBondContact OE2-NH1 3.42Å; E383-R423 IonicContact OE2-NH2 3.86Å; E383-R423 PolarHBondContact OE2-NH2 2.86Å
384	L	76.3	Confident	77.2	Confident	111 Å²	111	52.7 Å²	52.7	58%	0.581	25%	0.245	S	C	*	.	H	α-helix	trans	-90.3	-43.9	-170.2	-64.8	173.8	0	0	0	112.9	L380 Y381 R387	L380-L384 WeakPolarHBondContact O-CB 3.38Å; L380-L384 VanDerWaalsContact O-CG 3.31Å; L380-L384 WeakPolarHBondContact O-CG 3.14Å; L380-L384 PolarHBondContact O-N 3.36Å; Y381-L384 PolarHBondContact O-N 3.04Å; L384-R387 PolarHBondContact O-NE 2.87Å
385	E	67.5	Low	77.2	Confident	110 Å²	110	53.1 Å²	53.1	51%	0.514	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-60.8	-171.9	-64.8	-172	-141.7	0	0	112	Y381	Y381-E385 HydrophobicContact CD2-CB 4.45Å; Y381-E385 HydrophobicContact CD2-CG 4.34Å; Y381-E385 WeakPolarHBondContact CD2-OE1 3.44Å; Y381-E385 HydrophobicContact CE2-CB 4.21Å; Y381-E385 HydrophobicContact CE2-CG 4.27Å; Y381-E385 WeakPolarHBondContact CE2-OE2 3.3Å; Y381-E385 WeakPolarHBondContact O-CB 3.38Å; Y381-E385 PolarHBondContact O-N 2.87Å
386	T	64.6	Low	77.2	Confident	38 Å²	38	52.5 Å²	52.5	23%	0.233	25%	0.246	C	C	.	.	S	Bend	trans	-76.9	-27.5	-178.4	80.3	0	0	0	0	112.3	A345 Y381 E382 D388	A345-T386 HydrophobicContact CB-CG2 4.19Å; Y381-T386 HydrophobicContact CD1-CG2 4.19Å; Y381-T386 HydrophobicContact CE1-CG2 3.61Å; E382-T386 VanDerWaalsContact CA-OG1 3.29Å; E382-T386 WeakPolarHBondContact CA-OG1 3.27Å; E382-T386 PolarHBondContact O-OG1 3.46Å; E382-T386 VanDerWaalsContact OE2-CB 3.31Å; E382-T386 WeakPolarHBondContact OE2-CB 3.29Å; E382-T386 VanDerWaalsContact OE2-CG2 3.28Å; E382-T386 WeakPolarHBondContact OE2-CG2 3.48Å; E382-T386 PolarHBondContact OE2-OG1 2.88Å; T386-D388 VanDerWaalsContact C-N 3.32Å; T386-D388 PolarHBondContact O-N 3.08Å
387	R	71.3	Confident	77.2	Confident	192 Å²	192	56.6 Å²	56.6	73%	0.725	27%	0.265	S	S	*	.			trans	60	34.5	178.2	-55	177	-177.1	173.1	1.6	113.8	E382 L384 P389	E382-R387 WeakPolarHBondContact O-CA 3.42Å; E382-R387 PolarHBondContact O-N 3.32Å; L384-R387 PolarHBondContact O-NE 2.87Å; R387-P389 VanDerWaalsContact O-CD 3.22Å; R387-P389 WeakPolarHBondContact O-CD 3.4Å
388	D	76.9	Confident	77.3	Confident	53 Å²	53	56 Å²	56	28%	0.283	27%	0.267	S	S	.	.			trans	-90.4	104.5	175.5	-173.9	-22.1	0	0	0	111	E382 T386 E390 R391 T392	E382-D388 PolarHBondContact O-N 3.41Å; T386-D388 VanDerWaalsContact C-N 3.32Å; T386-D388 PolarHBondContact O-N 3.08Å; D388-E390 VanDerWaalsContact C-N 3.31Å; D388-E390 PolarHBondContact O-N 2.93Å; D388-E390 WeakPolarHBondContact OD1-CA 3.31Å; D388-E390 PolarHBondContact OD1-N 3.33Å; D388-R391 HydrophobicContact CB-CB 4.11Å; D388-R391 VanDerWaalsContact CG-CB 3.47Å; D388-R391 PolarHBondContact OD1-N 3.32Å; D388-R391 VanDerWaalsContact OD2-CB 3.31Å; D388-R391 WeakPolarHBondContact OD2-CB 3.46Å; D388-T392 VanDerWaalsContact O-CB 3.24Å; D388-T392 WeakPolarHBondContact O-CB 3.5Å; D388-T392 PolarHBondContact O-N 2.86Å; D388-T392 VanDerWaalsContact O-N 3.11Å; D388-T392 PolarHBondContact O-OG1 3.2Å
389	P	75.1	Confident	77.3	Confident	46 Å²	46	55.9 Å²	55.9	30%	0.299	27%	0.267	S	S	.	.	H	α-helix	trans	-76.6	-17.1	-180	34.5	-37.2	0	0	0	113.2	R387 R393 F420 Q424	R387-P389 VanDerWaalsContact O-CD 3.22Å; R387-P389 WeakPolarHBondContact O-CD 3.4Å; P389-R393 WeakPolarHBondContact O-CB 3.31Å; P389-R393 PolarHBondContact O-N 3.27Å; P389-F420 HydrophobicContact CB-CZ 4.14Å; P389-F420 WeakPolarHBondContact O-CZ 3.41Å; P389-Q424 HydrophobicContact CB-CG 4.4Å
390	E	78.8	Confident	77.3	Confident	131 Å²	131	56.4 Å²	56.4	61%	0.612	27%	0.269	S	S	*	.	H	α-helix	trans	-85.9	-45.2	-179.7	-60.8	-159.8	167.2	0	0	110.7	D388 R393 Q394	D388-E390 VanDerWaalsContact C-N 3.31Å; D388-E390 PolarHBondContact O-N 2.93Å; D388-E390 WeakPolarHBondContact OD1-CA 3.31Å; D388-E390 PolarHBondContact OD1-N 3.33Å; E390-R393 WeakPolarHBondContact O-CB 3.42Å; E390-R393 PolarHBondContact O-N 2.66Å; E390-Q394 WeakPolarHBondContact O-CG 3.44Å; E390-Q394 PolarHBondContact O-N 3.42Å
391	R	76.6	Confident	77.3	Confident	69 Å²	69	61.6 Å²	61.6	26%	0.26	29%	0.292	S	S	.	.	H	α-helix	trans	-64.2	-42.9	171.6	-166	170.7	-172.8	141.3	4.4	111.1	E353 Y378 E382 D388 R393 Q394 V395	E353-R391 IonicContact OE1-CZ 2.7Å; E353-R391 IonicContact OE1-NH2 3.76Å; E353-R391 PolarHBondContact OE1-NH2 3.22Å; Y378-R391 PolarHBondContact OH-NE 3.5Å; E382-R391 VanDerWaalsContact OE1-CD 3.29Å; E382-R391 WeakPolarHBondContact OE1-CD 3.49Å; E382-R391 IonicContact OE1-NE 2.99Å; E382-R391 PolarHBondContact OE1-NE 2.93Å; D388-R391 HydrophobicContact CB-CB 4.11Å; D388-R391 VanDerWaalsContact CG-CB 3.47Å; D388-R391 PolarHBondContact OD1-N 3.32Å; D388-R391 VanDerWaalsContact OD2-CB 3.31Å; D388-R391 WeakPolarHBondContact OD2-CB 3.46Å; R391-R393 VanDerWaalsContact C-N 3.27Å; R391-R393 PolarHBondContact O-N 3.29Å; R391-Q394 CarbonylContact O-C 3.57Å; R391-Q394 WeakPolarHBondContact O-CA 3.33Å; R391-Q394 WeakPolarHBondContact O-CB 3.31Å; R391-Q394 PolarHBondContact O-N 3.02Å; R391-V395 HydrophobicContact CG-CG2 4.48Å; R391-V395 WeakPolarHBondContact O-CG2 3.28Å; R391-V395 PolarHBondContact O-N 2.93Å
392	T	78.4	Confident	77.3	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-57	-39.4	174.7	-60.1	0	0	0	0	112.2	E382 E383 D388 V395 Y396 F420	E382-T392 WeakPolarHBondContact CB-OG1 3.45Å; E383-T392 HydrophobicContact CB-CG2 4.42Å; D388-T392 VanDerWaalsContact O-CB 3.24Å; D388-T392 WeakPolarHBondContact O-CB 3.5Å; D388-T392 PolarHBondContact O-N 2.86Å; D388-T392 VanDerWaalsContact O-N 3.11Å; D388-T392 PolarHBondContact O-OG1 3.2Å; T392-V395 PolarHBondContact O-N 3.27Å; T392-Y396 HydrophobicContact CG2-CD2 3.91Å; T392-Y396 HydrophobicContact CG2-CE2 3.7Å; T392-Y396 VanDerWaalsContact O-CD2 3.26Å; T392-Y396 WeakPolarHBondContact O-CD2 3.47Å; T392-Y396 PolarHBondContact O-N 2.85Å; T392-F420 HydrophobicContact CG2-CD2 3.74Å; T392-F420 HydrophobicContact CG2-CE1 4.39Å; T392-F420 HydrophobicContact CG2-CE2 3.4Å; T392-F420 VanDerWaalsContact CG2-CE2 3.4Å; T392-F420 HydrophobicContact CG2-CG 4.38Å; T392-F420 HydrophobicContact CG2-CZ 3.77Å
393	R	81	Confident	77.2	Confident	65 Å²	65	65 Å²	65	25%	0.245	31%	0.311	C	S	.	.	H	α-helix	trans	-64.2	-42.4	173.3	178.5	-178.5	-68.5	119.8	3.3	112.3	P389 E390 R391 Y396 Q397 F417 F420 E421	P389-R393 WeakPolarHBondContact O-CB 3.31Å; P389-R393 PolarHBondContact O-N 3.27Å; E390-R393 WeakPolarHBondContact O-CB 3.42Å; E390-R393 PolarHBondContact O-N 2.66Å; R391-R393 VanDerWaalsContact C-N 3.27Å; R391-R393 PolarHBondContact O-N 3.29Å; R393-Y396 PolarHBondContact O-N 3.24Å; R393-Q397 WeakPolarHBondContact O-CB 3.47Å; R393-Q397 VanDerWaalsContact O-CG 3.27Å; R393-Q397 WeakPolarHBondContact O-CG 3.46Å; R393-Q397 PolarHBondContact O-N 3.16Å; R393-F417 HydrophobicContact CG-CE2 4.33Å; R393-F417 HydrophobicContact CG-CZ 4.37Å; R393-F420 HydrophobicContact CB-CE1 4.26Å; R393-E421 IonicContact CZ-OE1 3.24Å; R393-E421 IonicContact CZ-OE2 2.67Å; R393-E421 IonicContact NE-OE1 2.76Å; R393-E421 PolarHBondContact NE-OE1 2.68Å; R393-E421 IonicContact NE-OE2 3.61Å; R393-E421 IonicContact NH2-OE1 3.55Å; R393-E421 PolarHBondContact NH2-OE1 3.44Å; R393-E421 IonicContact NH2-OE2 2.65Å; R393-E421 PolarHBondContact NH2-OE2 3.04Å
394	Q	82.7	Confident	77.2	Confident	117 Å²	117	65.4 Å²	65.4	55%	0.547	32%	0.315	S	S	.	.	H	α-helix	trans	-63.5	-41.4	175.9	-66.2	169.7	29.8	0	0	111.6	E390 R391 Q397 A398	E390-Q394 WeakPolarHBondContact O-CG 3.44Å; E390-Q394 PolarHBondContact O-N 3.42Å; R391-Q394 CarbonylContact O-C 3.57Å; R391-Q394 WeakPolarHBondContact O-CA 3.33Å; R391-Q394 WeakPolarHBondContact O-CB 3.31Å; R391-Q394 PolarHBondContact O-N 3.02Å; Q394-Q397 PolarHBondContact O-N 2.63Å; Q394-A398 WeakPolarHBondContact O-CB 3.36Å; Q394-A398 PolarHBondContact O-N 3.13Å
395	V	81.8	Confident	76.7	Confident	9 Å²	9	61.7 Å²	61.7	6%	0.055	30%	0.295	C	S	.	.	H	α-helix	trans	-59.8	-48.6	176.5	171.3	0	0	0	0	111.1	W375 Y378 A379 R391 T392 Q397 C399	W375-V395 HydrophobicContact CE3-CG1 3.7Å; W375-V395 HydrophobicContact CZ3-CB 4.44Å; W375-V395 HydrophobicContact CZ3-CG1 3.84Å; W375-V395 WeakPolarHBondContact CZ3-O 3.23Å; Y378-V395 HydrophobicContact CD1-CB 4.41Å; Y378-V395 HydrophobicContact CD1-CG1 3.65Å; Y378-V395 HydrophobicContact CD1-CG2 3.76Å; Y378-V395 HydrophobicContact CE1-CB 4.47Å; Y378-V395 HydrophobicContact CE1-CG1 4.18Å; Y378-V395 HydrophobicContact CE1-CG2 3.4Å; Y378-V395 HydrophobicContact CG-CG1 4.3Å; A379-V395 HydrophobicContact CB-CG1 3.95Å; R391-V395 HydrophobicContact CG-CG2 4.48Å; R391-V395 WeakPolarHBondContact O-CG2 3.28Å; R391-V395 PolarHBondContact O-N 2.93Å; T392-V395 PolarHBondContact O-N 3.27Å; V395-Q397 VanDerWaalsContact C-N 3.34Å; V395-Q397 PolarHBondContact O-N 2.94Å; V395-C399 WeakPolarHBondContact O-CB 3.21Å; V395-C399 PolarHBondContact O-N 2.63Å
396	Y	82.1	Confident	76.6	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.016	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-37.9	174.3	-80	-62.4	0	0	0	112.9	A379 T392 R393 L400 I413 L416 F417 F420	A379-Y396 HydrophobicContact CB-CD1 4.45Å; A379-Y396 HydrophobicContact CB-CD2 4.28Å; A379-Y396 HydrophobicContact CB-CE1 3.92Å; A379-Y396 HydrophobicContact CB-CE2 3.72Å; T392-Y396 HydrophobicContact CG2-CD2 3.91Å; T392-Y396 HydrophobicContact CG2-CE2 3.7Å; T392-Y396 VanDerWaalsContact O-CD2 3.26Å; T392-Y396 WeakPolarHBondContact O-CD2 3.47Å; T392-Y396 PolarHBondContact O-N 2.85Å; R393-Y396 PolarHBondContact O-N 3.24Å; Y396-L400 WeakPolarHBondContact O-CB 3.41Å; Y396-L400 WeakPolarHBondContact O-CG 3.4Å; Y396-L400 PolarHBondContact O-N 3.09Å; Y396-L400 VanDerWaalsContact O-N 3.09Å; Y396-I413 HydrophobicContact CD1-CG2 4.09Å; Y396-I413 HydrophobicContact CE1-CG2 4.43Å; Y396-L416 HydrophobicContact CE1-CB 4.36Å; Y396-F417 VanDerWaalsContact CB-CD2 3.43Å; Y396-F417 HydrophobicContact CD1-CB 3.82Å; Y396-F417 HydrophobicContact CD1-CD2 4.34Å; Y396-F417 HydrophobicContact CD1-CG 4.18Å; Y396-F417 HydrophobicContact CD2-CB 4.37Å; Y396-F417 AromaticContact CD2-CD2 3.55Å; Y396-F417 HydrophobicContact CD2-CD2 3.55Å; Y396-F417 HydrophobicContact CD2-CE2 4.18Å; Y396-F417 HydrophobicContact CD2-CG 4.21Å; Y396-F417 HydrophobicContact CE1-CB 4.25Å; Y396-F417 HydrophobicContact CE2-CD2 4.4Å; Y396-F417 HydrophobicContact CG-CB 3.9Å; Y396-F417 AromaticContact CG-CD2 3.53Å; Y396-F417 HydrophobicContact CG-CD2 3.53Å; Y396-F417 HydrophobicContact CG-CE2 4.18Å; Y396-F417 AromaticContact CG-CG 3.77Å; Y396-F417 HydrophobicContact CG-CG 3.77Å; Y396-F420 HydrophobicContact CD2-CD1 4.45Å; Y396-F420 HydrophobicContact CD2-CG 4.47Å; Y396-F420 HydrophobicContact CE2-CB 4.11Å; Y396-F420 HydrophobicContact CE2-CD2 4.49Å; Y396-F420 HydrophobicContact CE2-CG 4.13Å
397	Q	82.1	Confident	76.5	Confident	93 Å²	93	72 Å²	72	44%	0.435	34%	0.335	S	S	.	.	H	α-helix	trans	-66.3	-48.9	177.5	-74.5	173.3	3.6	0	0	112.1	R393 Q394 V395 C399 L400 E401 F417	R393-Q397 WeakPolarHBondContact O-CB 3.47Å; R393-Q397 VanDerWaalsContact O-CG 3.27Å; R393-Q397 WeakPolarHBondContact O-CG 3.46Å; R393-Q397 PolarHBondContact O-N 3.16Å; Q394-Q397 PolarHBondContact O-N 2.63Å; V395-Q397 VanDerWaalsContact C-N 3.34Å; V395-Q397 PolarHBondContact O-N 2.94Å; Q397-C399 PolarHBondContact O-N 3Å; Q397-L400 CarbonylContact O-C 3.49Å; Q397-L400 WeakPolarHBondContact O-CA 3.16Å; Q397-L400 PolarHBondContact O-N 3.44Å; Q397-E401 PolarHBondContact O-N 3.34Å; Q397-F417 HydrophobicContact CG-CE1 4.45Å; Q397-F417 HydrophobicContact CG-CZ 4.14Å
398	A	82.4	Confident	76.4	Confident	37 Å²	37	63.6 Å²	63.6	31%	0.306	30%	0.304	S	S	.	.	H	α-helix	trans	-60.2	-42.8	177.4	0	0	0	0	0	112.2	W375 Q394 L400 E401 L402	W375-A398 HydrophobicContact CH2-CB 3.72Å; W375-A398 HydrophobicContact CZ3-CB 4.04Å; Q394-A398 WeakPolarHBondContact O-CB 3.36Å; Q394-A398 PolarHBondContact O-N 3.13Å; A398-L400 VanDerWaalsContact C-N 3.28Å; A398-L400 PolarHBondContact O-N 3.18Å; A398-E401 PolarHBondContact O-N 3.47Å; A398-E401 VanDerWaalsContact O-N 3.16Å; A398-L402 WeakPolarHBondContact O-CG 3.24Å; A398-L402 PolarHBondContact O-N 3.17Å
399	C	80.8	Confident	75.7	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.02	29%	0.292	C	S	.	.	H	α-helix	trans	-56.4	-42.8	172.2	-169.3	0	0	0	0	111.9	W375 V395 Q397 E401 I403	W375-C399 HydrophobicContact CB-CB 4.34Å; W375-C399 VanDerWaalsContact CB-SG 3.57Å; W375-C399 HydrophobicContact CD2-CB 3.7Å; W375-C399 HydrophobicContact CE3-CB 3.61Å; W375-C399 HydrophobicContact CG-CB 4.06Å; W375-C399 VanDerWaalsContact CG-SG 3.52Å; W375-C399 HydrophobicContact CZ3-CB 4.13Å; V395-C399 WeakPolarHBondContact O-CB 3.21Å; V395-C399 PolarHBondContact O-N 2.63Å; Q397-C399 PolarHBondContact O-N 3Å; C399-E401 VanDerWaalsContact C-N 3.34Å; C399-E401 PolarHBondContact O-N 2.66Å; C399-I403 WeakPolarHBondContact O-CD1 3.36Å; C399-I403 VanDerWaalsContact O-CG1 3.29Å; C399-I403 WeakPolarHBondContact O-CG1 3.31Å; C399-I403 PolarHBondContact O-N 3.39Å
400	L	77.9	Confident	75.5	Confident	11 Å²	11	60.3 Å²	60.3	6%	0.058	28%	0.283	C	S	.	.	H	α-helix	trans	-76.9	-13.6	179.5	-70.9	175.2	0	0	0	114.5	Y396 Q397 A398 H405 I413 W414 F417	Y396-L400 WeakPolarHBondContact O-CB 3.41Å; Y396-L400 WeakPolarHBondContact O-CG 3.4Å; Y396-L400 PolarHBondContact O-N 3.09Å; Y396-L400 VanDerWaalsContact O-N 3.09Å; Q397-L400 CarbonylContact O-C 3.49Å; Q397-L400 WeakPolarHBondContact O-CA 3.16Å; Q397-L400 PolarHBondContact O-N 3.44Å; A398-L400 VanDerWaalsContact C-N 3.28Å; A398-L400 PolarHBondContact O-N 3.18Å; L400-H405 PolarHBondContact O-NE2 3.25Å; L400-I413 HydrophobicContact CD2-CG2 4.01Å; L400-I413 HydrophobicContact CG-CG2 4.32Å; L400-W414 HydrophobicContact CD1-CD2 4.32Å; L400-W414 HydrophobicContact CD1-CE3 3.81Å; L400-W414 HydrophobicContact CD1-CH2 4.13Å; L400-W414 HydrophobicContact CD1-CZ3 3.7Å; L400-W414 HydrophobicContact CD2-CD2 3.75Å; L400-W414 HydrophobicContact CD2-CE3 4.09Å; L400-W414 HydrophobicContact CD2-CG 4.34Å; L400-W414 HydrophobicContact CD2-CH2 4.11Å; L400-W414 HydrophobicContact CD2-CZ2 3.75Å; L400-W414 HydrophobicContact CD2-CZ3 4.26Å; L400-F417 HydrophobicContact CD1-CD1 3.56Å; L400-F417 HydrophobicContact CD1-CE1 3.9Å
401	E	79.4	Confident	75.2	Confident	168 Å²	168	55.1 Å²	55.1	79%	0.785	26%	0.262	S	S	*	.	H	α-helix	trans	-87.6	-37.3	170.1	-71	-173.7	169.9	0	0	111.9	Q397 A398 C399	Q397-E401 PolarHBondContact O-N 3.34Å; A398-E401 PolarHBondContact O-N 3.47Å; A398-E401 VanDerWaalsContact O-N 3.16Å; C399-E401 VanDerWaalsContact C-N 3.34Å; C399-E401 PolarHBondContact O-N 2.66Å
402	L	77.9	Confident	75.4	Confident	77 Å²	77	56.7 Å²	56.7	40%	0.403	27%	0.271	S	S	.	.	H	α-helix	trans	-71.6	-28.1	179.7	-71.6	165.4	0	0	0	114.2	W375 A398 P404	W375-L402 HydrophobicContact CH2-CD1 4.15Å; W375-L402 HydrophobicContact CZ2-CD1 3.43Å; W375-L402 VanDerWaalsContact CZ2-CD1 3.43Å; A398-L402 WeakPolarHBondContact O-CG 3.24Å; A398-L402 PolarHBondContact O-N 3.17Å; L402-P404 VanDerWaalsContact O-CD 3.27Å; L402-P404 WeakPolarHBondContact O-CD 3.4Å
403	I	74.5	Confident	75.6	Confident	8 Å²	8	56.8 Å²	56.8	4%	0.041	27%	0.271	C	S	.	.	S	Bend	trans	-70.4	123.5	-178.4	-73.4	165.2	0	0	0	111.4	W368 V372 C399 H405 F408 F410 I413	W368-I403 HydrophobicContact CE3-CG1 4.45Å; W368-I403 HydrophobicContact CZ3-CG1 4.24Å; V372-I403 HydrophobicContact CG2-CD1 4.09Å; C399-I403 WeakPolarHBondContact O-CD1 3.36Å; C399-I403 VanDerWaalsContact O-CG1 3.29Å; C399-I403 WeakPolarHBondContact O-CG1 3.31Å; C399-I403 PolarHBondContact O-N 3.39Å; I403-H405 VanDerWaalsContact C-N 3.31Å; I403-H405 PolarHBondContact O-CD2 3.24Å; I403-H405 PolarHBondContact O-N 2.81Å; I403-H405 PolarHBondContact O-NE2 2.89Å; I403-F408 HydrophobicContact CG2-CE2 4.41Å; I403-F410 HydrophobicContact CD1-CD2 4.48Å; I403-I413 HydrophobicContact CD1-CD1 3.39Å
404	P	72.4	Confident	75.7	Confident	31 Å²	31	54 Å²	54	20%	0.201	26%	0.261	C	S	.	.			trans	-72.2	74.7	176.9	-20.5	35.2	0	0	0	113.6	W368 L402 K406 K407 F408	W368-P404 HydrophobicContact CH2-CG 4.21Å; W368-P404 HydrophobicContact CZ2-CG 4.37Å; L402-P404 VanDerWaalsContact O-CD 3.27Å; L402-P404 WeakPolarHBondContact O-CD 3.4Å; P404-K406 PolarHBondContact O-N 3.24Å; P404-K407 PolarHBondContact O-N 2.76Å; P404-F408 HydrophobicContact CG-CZ 4.11Å; P404-F408 PolarHBondContact O-N 3.35Å
405	H	66.9	Low	75.6	Confident	34 Å²	34	50.4 Å²	50.4	16%	0.157	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-24.5	-173.4	-59.7	-82	0	0	0	115.1	L400 I403 K407 F408 T409 W414	L400-H405 PolarHBondContact O-NE2 3.25Å; I403-H405 VanDerWaalsContact C-N 3.31Å; I403-H405 PolarHBondContact O-CD2 3.24Å; I403-H405 PolarHBondContact O-N 2.81Å; I403-H405 PolarHBondContact O-NE2 2.89Å; H405-K407 VanDerWaalsContact C-N 3.3Å; H405-K407 PolarHBondContact O-N 2.94Å; H405-F408 WeakPolarHBondContact CA-O 3.45Å; H405-T409 HydrophobicContact CB-CG2 3.81Å; H405-T409 WeakPolarHBondContact ND1-CG2 3.25Å; H405-W414 AromaticContact CE1-CZ2 3.59Å; H405-W414 AromaticContact ND1-CZ2 3.98Å
406	K	65.1	Low	75.6	Confident	217 Å²	217	51.5 Å²	51.5	94%	0.943	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.9	175.3	-66	-175.1	177.8	-178.4	0	114.5	P404	P404-K406 PolarHBondContact O-N 3.24Å
407	K	61.7	Low	75.6	Confident	146 Å²	146	51.7 Å²	51.7	64%	0.635	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-42.7	-178.7	-70.2	-173.5	176.4	-179	0	112.6	Q363 P404 H405	Q363-K407 HydrophobicContact CB-CD 4.36Å; P404-K407 PolarHBondContact O-N 2.76Å; H405-K407 VanDerWaalsContact C-N 3.3Å; H405-K407 PolarHBondContact O-N 2.94Å
408	F	68.7	Low	75.6	Confident	17 Å²	17	47.2 Å²	47.2	8%	0.075	23%	0.231	C	C	.	.			trans	-154.5	158.1	176.2	56	-95.1	0	0	0	110.9	Q363 K365 W368 I403 P404 H405 F410	Q363-F408 HydrophobicContact CB-CE1 4.22Å; Q363-F408 VanDerWaalsContact O-CE1 3.29Å; Q363-F408 WeakPolarHBondContact O-CE1 3.13Å; K365-F408 HydrophobicContact CB-CB 4.35Å; W368-F408 HydrophobicContact CB-CE2 3.88Å; W368-F408 HydrophobicContact CB-CZ 4.08Å; W368-F408 AromaticContact CD1-CZ 3.78Å; W368-F408 AromaticContact CD2-CE2 3.72Å; W368-F408 HydrophobicContact CD2-CE2 3.72Å; W368-F408 AromaticContact CD2-CZ 3.43Å; W368-F408 HydrophobicContact CD2-CZ 3.43Å; W368-F408 VanDerWaalsContact CD2-CZ 3.43Å; W368-F408 AromaticContact CE2-CZ 3.75Å; W368-F408 AromaticContact CE3-CE2 3.82Å; W368-F408 HydrophobicContact CE3-CE2 3.82Å; W368-F408 AromaticContact CE3-CZ 3.9Å; W368-F408 HydrophobicContact CE3-CZ 3.9Å; W368-F408 HydrophobicContact CG-CE1 4.44Å; W368-F408 AromaticContact CG-CE2 3.73Å; W368-F408 HydrophobicContact CG-CE2 3.73Å; W368-F408 AromaticContact CG-CZ 3.49Å; W368-F408 HydrophobicContact CG-CZ 3.49Å; W368-F408 VanDerWaalsContact CG-CZ 3.49Å; W368-F408 HydrophobicContact CZ2-CZ 4.44Å; W368-F408 AromaticContact NE1-CZ 3.93Å; I403-F408 HydrophobicContact CG2-CE2 4.41Å; P404-F408 HydrophobicContact CG-CZ 4.11Å; P404-F408 PolarHBondContact O-N 3.35Å; H405-F408 WeakPolarHBondContact CA-O 3.45Å; F408-F410 HydrophobicContact CD2-CD2 4.26Å; F408-F410 AromaticContact CD2-CE2 3.57Å; F408-F410 HydrophobicContact CD2-CE2 3.57Å; F408-F410 HydrophobicContact CD2-CZ 4.24Å; F408-F410 AromaticContact CE2-CE2 3.72Å; F408-F410 HydrophobicContact CE2-CE2 3.72Å
409	T	64	Low	75.6	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.031	24%	0.239	C	C	.	.			trans	-145.2	150	174	59.5	0	0	0	0	110.9	H405 C441 K443	H405-T409 HydrophobicContact CB-CG2 3.81Å; H405-T409 WeakPolarHBondContact ND1-CG2 3.25Å; T409-C441 HydrophobicContact CG2-CB 3.74Å; T409-C441 PolarHBondContact OG1-SG 3.09Å; T409-K443 PolarHBondContact O-NZ 2.92Å; T409-K443 PolarHBondContact OG1-NZ 3.13Å
410	F	70	Confident	75.7	Confident	25 Å²	25	50.2 Å²	50.2	11%	0.11	24%	0.238	C	C	.	.			trans	-107.9	110.4	179	-65.7	-84.7	0	0	0	109.9	K365 W368 R369 V372 I403 F408 K412 I413	K365-F410 HydrophobicContact CG-CE1 4.29Å; K365-F410 HydrophobicContact CG-CZ 4.26Å; W368-F410 HydrophobicContact CB-CE2 3.86Å; W368-F410 HydrophobicContact CB-CZ 3.76Å; R369-F410 HydrophobicContact CG-CE1 3.82Å; R369-F410 HydrophobicContact CG-CZ 4.47Å; V372-F410 HydrophobicContact CB-CD2 4.46Å; V372-F410 HydrophobicContact CG1-CB 4.34Å; V372-F410 HydrophobicContact CG1-CD1 4.41Å; V372-F410 HydrophobicContact CG1-CG 4.18Å; V372-F410 HydrophobicContact CG2-CD2 3.63Å; V372-F410 HydrophobicContact CG2-CE2 3.77Å; V372-F410 HydrophobicContact CG2-CG 4.11Å; V372-F410 HydrophobicContact CG2-CZ 4.39Å; I403-F410 HydrophobicContact CD1-CD2 4.48Å; F408-F410 HydrophobicContact CD2-CD2 4.26Å; F408-F410 AromaticContact CD2-CE2 3.57Å; F408-F410 HydrophobicContact CD2-CE2 3.57Å; F408-F410 HydrophobicContact CD2-CZ 4.24Å; F408-F410 AromaticContact CE2-CE2 3.72Å; F408-F410 HydrophobicContact CE2-CE2 3.72Å; F410-K412 PolarHBondContact O-N 3.09Å; F410-I413 HydrophobicContact CB-CD1 4.17Å; F410-I413 HydrophobicContact CB-CG1 4.47Å
411	A	73.3	Confident	75.8	Confident	22 Å²	22	49.9 Å²	49.9	18%	0.182	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-35.6	-179.3	0	0	0	0	0	112.3	I413 W414 L415 L446	A411-I413 PolarHBondContact O-N 3.09Å; A411-W414 PolarHBondContact O-N 2.58Å; A411-L415 WeakPolarHBondContact O-CG 3.31Å; A411-L415 PolarHBondContact O-N 3.4Å; A411-L415 VanDerWaalsContact O-N 3.11Å; A411-L446 HydrophobicContact CB-CD2 3.78Å; A411-L446 HydrophobicContact CB-CG 3.81Å
412	K	79.2	Confident	76	Confident	101 Å²	101	44.4 Å²	44.4	44%	0.439	21%	0.211	S	C	.	.	H	α-helix	trans	-57.7	-40.2	-176.2	-171.5	167.4	176.1	171.7	0	113.4	Y373 I376 F410 L415 L416	Y373-K412 HydrophobicContact CE1-CD 4.39Å; Y373-K412 PolarHBondContact OH-NZ 3.16Å; I376-K412 HydrophobicContact CD1-CD 4.42Å; I376-K412 HydrophobicContact CD1-CG 4.33Å; F410-K412 PolarHBondContact O-N 3.09Å; K412-L415 PolarHBondContact O-N 3.17Å; K412-L416 HydrophobicContact CG-CD1 3.89Å; K412-L416 HydrophobicContact CG-CG 4.39Å; K412-L416 WeakPolarHBondContact O-CB 3.5Å; K412-L416 VanDerWaalsContact O-CG 3.26Å; K412-L416 WeakPolarHBondContact O-CG 3.28Å; K412-L416 PolarHBondContact O-N 3.02Å
413	I	82.6	Confident	76.1	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-64.8	-48.7	178.7	-61.6	165.9	0	0	0	111.1	V372 I376 Y396 L400 I403 F410 A411 L415 L416 F417	V372-I413 HydrophobicContact CB-CD1 4.12Å; V372-I413 HydrophobicContact CG1-CD1 3.42Å; V372-I413 VanDerWaalsContact CG1-CD1 3.42Å; V372-I413 HydrophobicContact CG1-CG1 3.73Å; V372-I413 HydrophobicContact CG2-CD1 3.67Å; I376-I413 HydrophobicContact CD1-CG1 4.19Å; I376-I413 HydrophobicContact CG1-CG1 4.27Å; Y396-I413 HydrophobicContact CD1-CG2 4.09Å; Y396-I413 HydrophobicContact CE1-CG2 4.43Å; L400-I413 HydrophobicContact CD2-CG2 4.01Å; L400-I413 HydrophobicContact CG-CG2 4.32Å; I403-I413 HydrophobicContact CD1-CD1 3.39Å; F410-I413 HydrophobicContact CB-CD1 4.17Å; F410-I413 HydrophobicContact CB-CG1 4.47Å; A411-I413 PolarHBondContact O-N 3.09Å; I413-L415 VanDerWaalsContact C-N 3.31Å; I413-L415 PolarHBondContact O-N 3.37Å; I413-L416 PolarHBondContact O-N 2.76Å; I413-F417 WeakPolarHBondContact O-CB 3.27Å; I413-F417 PolarHBondContact O-N 3.33Å
414	W	83.4	Confident	76.4	Confident	7 Å²	7	50.2 Å²	50.2	3%	0.027	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-38.9	-179.6	-69.3	107.2	0	0	0	112.3	L400 H405 A411 A418 I433 S436 A437 K440 L446	L400-W414 HydrophobicContact CD1-CD2 4.32Å; L400-W414 HydrophobicContact CD1-CE3 3.81Å; L400-W414 HydrophobicContact CD1-CH2 4.13Å; L400-W414 HydrophobicContact CD1-CZ3 3.7Å; L400-W414 HydrophobicContact CD2-CD2 3.75Å; L400-W414 HydrophobicContact CD2-CE3 4.09Å; L400-W414 HydrophobicContact CD2-CG 4.34Å; L400-W414 HydrophobicContact CD2-CH2 4.11Å; L400-W414 HydrophobicContact CD2-CZ2 3.75Å; L400-W414 HydrophobicContact CD2-CZ3 4.26Å; H405-W414 AromaticContact CE1-CZ2 3.59Å; H405-W414 AromaticContact ND1-CZ2 3.98Å; A411-W414 PolarHBondContact O-N 2.58Å; W414-A418 WeakPolarHBondContact O-CB 3.33Å; W414-A418 PolarHBondContact O-N 2.88Å; W414-A418 VanDerWaalsContact O-N 3.13Å; W414-I433 HydrophobicContact CE3-CG2 3.77Å; W414-I433 HydrophobicContact CZ3-CG2 4.09Å; W414-S436 WeakPolarHBondContact CZ3-OG 3.48Å; W414-A437 HydrophobicContact CB-CB 4.06Å; W414-A437 HydrophobicContact CD2-CB 3.45Å; W414-A437 VanDerWaalsContact CD2-CB 3.45Å; W414-A437 HydrophobicContact CE3-CB 3.52Å; W414-A437 HydrophobicContact CG-CB 3.75Å; W414-A437 HydrophobicContact CH2-CB 4.44Å; W414-A437 HydrophobicContact CZ2-CB 4.41Å; W414-A437 HydrophobicContact CZ3-CB 4.03Å; W414-K440 HydrophobicContact CH2-CD 4.1Å; W414-K440 HydrophobicContact CZ2-CD 4.08Å; W414-L446 HydrophobicContact CB-CD2 3.74Å; W414-L446 HydrophobicContact CG-CD2 4.4Å
415	L	81.7	Confident	76.8	Confident	42 Å²	42	57.4 Å²	57.4	22%	0.22	26%	0.259	C	S	.	.	H	α-helix	trans	-65.4	-48.4	174.2	-63	-179.4	0	0	0	111.5	A411 K412 I413 F417 A418 Q419 M434 L446	A411-L415 WeakPolarHBondContact O-CG 3.31Å; A411-L415 PolarHBondContact O-N 3.4Å; A411-L415 VanDerWaalsContact O-N 3.11Å; K412-L415 PolarHBondContact O-N 3.17Å; I413-L415 VanDerWaalsContact C-N 3.31Å; I413-L415 PolarHBondContact O-N 3.37Å; L415-F417 PolarHBondContact O-N 3.46Å; L415-A418 PolarHBondContact O-N 3.49Å; L415-Q419 WeakPolarHBondContact O-CB 3.44Å; L415-Q419 VanDerWaalsContact O-CG 3.31Å; L415-Q419 WeakPolarHBondContact O-CG 3.23Å; L415-Q419 PolarHBondContact O-N 2.71Å; L415-M434 HydrophobicContact CD2-CE 3.63Å; L415-M434 HydrophobicContact CD2-SD 4.36Å; L415-L446 HydrophobicContact CD2-CD2 4.16Å; L415-L446 HydrophobicContact CG-CD2 4.23Å
416	L	82.4	Confident	77.7	Confident	32 Å²	32	58.4 Å²	58.4	17%	0.168	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-41.8	178.5	-73.5	170.1	0	0	0	112.4	I376 Y396 K412 I413 Q419 F420	I376-L416 HydrophobicContact CD1-CD1 4.02Å; I376-L416 HydrophobicContact CG1-CD1 4.02Å; I376-L416 HydrophobicContact CG2-CD1 3.9Å; Y396-L416 HydrophobicContact CE1-CB 4.36Å; K412-L416 HydrophobicContact CG-CD1 3.89Å; K412-L416 HydrophobicContact CG-CG 4.39Å; K412-L416 WeakPolarHBondContact O-CB 3.5Å; K412-L416 VanDerWaalsContact O-CG 3.26Å; K412-L416 WeakPolarHBondContact O-CG 3.28Å; K412-L416 PolarHBondContact O-N 3.02Å; I413-L416 PolarHBondContact O-N 2.76Å; L416-Q419 CarbonylContact O-C 3.52Å; L416-Q419 PolarHBondContact O-N 3.37Å; L416-F420 WeakPolarHBondContact O-CB 3.28Å; L416-F420 PolarHBondContact O-N 2.8Å
417	F	81.4	Confident	78.3	Confident	7 Å²	7	50.9 Å²	50.9	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-67.8	-36.6	178.6	-175.4	-150.7	0	0	0	112.3	R393 Y396 Q397 L400 I413 L415 F420 E421 I433	R393-F417 HydrophobicContact CG-CE2 4.33Å; R393-F417 HydrophobicContact CG-CZ 4.37Å; Y396-F417 VanDerWaalsContact CB-CD2 3.43Å; Y396-F417 HydrophobicContact CD1-CB 3.82Å; Y396-F417 HydrophobicContact CD1-CD2 4.34Å; Y396-F417 HydrophobicContact CD1-CG 4.18Å; Y396-F417 HydrophobicContact CD2-CB 4.37Å; Y396-F417 AromaticContact CD2-CD2 3.55Å; Y396-F417 HydrophobicContact CD2-CD2 3.55Å; Y396-F417 HydrophobicContact CD2-CE2 4.18Å; Y396-F417 HydrophobicContact CD2-CG 4.21Å; Y396-F417 HydrophobicContact CE1-CB 4.25Å; Y396-F417 HydrophobicContact CE2-CD2 4.4Å; Y396-F417 HydrophobicContact CG-CB 3.9Å; Y396-F417 AromaticContact CG-CD2 3.53Å; Y396-F417 HydrophobicContact CG-CD2 3.53Å; Y396-F417 HydrophobicContact CG-CE2 4.18Å; Y396-F417 AromaticContact CG-CG 3.77Å; Y396-F417 HydrophobicContact CG-CG 3.77Å; Q397-F417 HydrophobicContact CG-CE1 4.45Å; Q397-F417 HydrophobicContact CG-CZ 4.14Å; L400-F417 HydrophobicContact CD1-CD1 3.56Å; L400-F417 HydrophobicContact CD1-CE1 3.9Å; I413-F417 WeakPolarHBondContact O-CB 3.27Å; I413-F417 PolarHBondContact O-N 3.33Å; L415-F417 PolarHBondContact O-N 3.46Å; F417-F420 HydrophobicContact CD2-CD1 4.06Å; F417-F420 HydrophobicContact CE2-CD1 4.2Å; F417-F420 WeakPolarHBondContact O-CB 3.48Å; F417-F420 PolarHBondContact O-N 2.75Å; F417-E421 HydrophobicContact CD2-CG 4.42Å; F417-E421 HydrophobicContact CE2-CG 4.15Å; F417-E421 PolarHBondContact O-N 3.21Å; F417-I433 HydrophobicContact CD1-CB 4.49Å; F417-I433 HydrophobicContact CD1-CD1 3.67Å; F417-I433 HydrophobicContact CD1-CG1 4Å; F417-I433 HydrophobicContact CD1-CG2 3.66Å; F417-I433 HydrophobicContact CD2-CD1 4.24Å; F417-I433 HydrophobicContact CE1-CD1 3.4Å; F417-I433 VanDerWaalsContact CE1-CD1 3.4Å; F417-I433 HydrophobicContact CE1-CG1 3.69Å; F417-I433 HydrophobicContact CE1-CG2 4.2Å; F417-I433 HydrophobicContact CE2-CD1 3.98Å; F417-I433 HydrophobicContact CG-CD1 4.1Å; F417-I433 HydrophobicContact CG-CG2 4.36Å; F417-I433 HydrophobicContact CZ-CD1 3.56Å; F417-I433 HydrophobicContact CZ-CG1 4.27Å
418	A	81.3	Confident	79.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.7	-38.6	172.1	0	0	0	0	0	112.3	W414 L415 F420 E421 I422 A430 M434 L453	W414-A418 WeakPolarHBondContact O-CB 3.33Å; W414-A418 PolarHBondContact O-N 2.88Å; W414-A418 VanDerWaalsContact O-N 3.13Å; L415-A418 PolarHBondContact O-N 3.49Å; A418-F420 VanDerWaalsContact C-N 3.33Å; A418-E421 PolarHBondContact O-N 3.19Å; A418-I422 WeakPolarHBondContact O-CG1 3.41Å; A418-I422 PolarHBondContact O-N 2.93Å; A418-A430 HydrophobicContact CB-CB 4.41Å; A418-M434 HydrophobicContact CB-CE 3.46Å; A418-M434 VanDerWaalsContact CB-CE 3.46Å; A418-M434 HydrophobicContact CB-CG 3.87Å; A418-M434 HydrophobicContact CB-SD 3.87Å; A418-L453 HydrophobicContact CB-CD1 4.28Å
419	Q	82.9	Confident	80.1	Confident	102 Å²	102	48.5 Å²	48.5	48%	0.477	24%	0.24	S	C	.	.	H	α-helix	trans	-66.7	-32.1	173.4	-73.2	171	-24.7	0	0	112.5	L415 L416 R423	L415-Q419 WeakPolarHBondContact O-CB 3.44Å; L415-Q419 VanDerWaalsContact O-CG 3.31Å; L415-Q419 WeakPolarHBondContact O-CG 3.23Å; L415-Q419 PolarHBondContact O-N 2.71Å; L416-Q419 CarbonylContact O-C 3.52Å; L416-Q419 PolarHBondContact O-N 3.37Å; Q419-R423 WeakPolarHBondContact O-CG 3.11Å; Q419-R423 PolarHBondContact O-N 3Å; Q419-R423 PolarHBondContact O-NE 3.1Å
420	F	83.3	Confident	80.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-55	169.2	168.6	-96.3	0	0	0	111.3	E383 P389 T392 R393 Y396 L416 F417 A418 I422 R423 Q424	E383-F420 WeakPolarHBondContact OE1-CD2 3.42Å; P389-F420 HydrophobicContact CB-CZ 4.14Å; P389-F420 WeakPolarHBondContact O-CZ 3.41Å; T392-F420 HydrophobicContact CG2-CD2 3.74Å; T392-F420 HydrophobicContact CG2-CE1 4.39Å; T392-F420 HydrophobicContact CG2-CE2 3.4Å; T392-F420 VanDerWaalsContact CG2-CE2 3.4Å; T392-F420 HydrophobicContact CG2-CG 4.38Å; T392-F420 HydrophobicContact CG2-CZ 3.77Å; R393-F420 HydrophobicContact CB-CE1 4.26Å; Y396-F420 HydrophobicContact CD2-CD1 4.45Å; Y396-F420 HydrophobicContact CD2-CG 4.47Å; Y396-F420 HydrophobicContact CE2-CB 4.11Å; Y396-F420 HydrophobicContact CE2-CD2 4.49Å; Y396-F420 HydrophobicContact CE2-CG 4.13Å; L416-F420 WeakPolarHBondContact O-CB 3.28Å; L416-F420 PolarHBondContact O-N 2.8Å; F417-F420 HydrophobicContact CD2-CD1 4.06Å; F417-F420 HydrophobicContact CE2-CD1 4.2Å; F417-F420 WeakPolarHBondContact O-CB 3.48Å; F417-F420 PolarHBondContact O-N 2.75Å; A418-F420 VanDerWaalsContact C-N 3.33Å; F420-I422 PolarHBondContact O-N 3.44Å; F420-R423 WeakPolarHBondContact O-CB 3.49Å; F420-R423 PolarHBondContact O-N 3.34Å; F420-Q424 HydrophobicContact CD2-CG 4.43Å; F420-Q424 HydrophobicContact CE1-CG 4.06Å; F420-Q424 HydrophobicContact CE2-CG 3.96Å; F420-Q424 HydrophobicContact CZ-CG 3.74Å; F420-Q424 WeakPolarHBondContact O-CG 3.24Å; F420-Q424 PolarHBondContact O-N 3.28Å
421	E	80.7	Confident	81.6	Confident	4 Å²	4	49 Å²	49	2%	0.019	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-29.2	178.7	-68	-70.8	176.5	0	0	112.5	R393 F417 A418 Q424 K425 N426 A430 I433	R393-E421 IonicContact CZ-OE1 3.24Å; R393-E421 IonicContact CZ-OE2 2.67Å; R393-E421 IonicContact NE-OE1 2.76Å; R393-E421 PolarHBondContact NE-OE1 2.68Å; R393-E421 IonicContact NE-OE2 3.61Å; R393-E421 IonicContact NH2-OE1 3.55Å; R393-E421 PolarHBondContact NH2-OE1 3.44Å; R393-E421 IonicContact NH2-OE2 2.65Å; R393-E421 PolarHBondContact NH2-OE2 3.04Å; F417-E421 HydrophobicContact CD2-CG 4.42Å; F417-E421 HydrophobicContact CE2-CG 4.15Å; F417-E421 PolarHBondContact O-N 3.21Å; A418-E421 PolarHBondContact O-N 3.19Å; E421-Q424 CarbonylContact O-C 3.59Å; E421-Q424 VanDerWaalsContact O-C 3.3Å; E421-Q424 PolarHBondContact O-N 2.89Å; E421-K425 PolarHBondContact O-N 3.42Å; E421-N426 HydrophobicContact CB-CB 4.31Å; E421-N426 PolarHBondContact O-N 3.18Å; E421-N426 VanDerWaalsContact OE2-CB 3.32Å; E421-N426 WeakPolarHBondContact OE2-CB 3.38Å; E421-N426 PolarHBondContact OE2-ND2 2.89Å; E421-A430 HydrophobicContact CB-CB 4.03Å; E421-I433 HydrophobicContact CG-CD1 3.61Å
422	I	82.4	Confident	82.2	Confident	53 Å²	53	56 Å²	56	27%	0.272	27%	0.267	S	S	.	.	H	α-helix	trans	-67.2	-43	170.9	-74.8	168.6	0	0	0	112.1	A418 F420 Q424 K425 L427 A430 L453	A418-I422 WeakPolarHBondContact O-CG1 3.41Å; A418-I422 PolarHBondContact O-N 2.93Å; F420-I422 PolarHBondContact O-N 3.44Å; I422-Q424 PolarHBondContact O-N 3.29Å; I422-K425 WeakPolarHBondContact O-CA 3.31Å; I422-K425 PolarHBondContact O-N 3.38Å; I422-L427 HydrophobicContact CG1-CD2 4.1Å; I422-A430 HydrophobicContact CD1-CB 4.37Å; I422-A430 HydrophobicContact CG1-CB 3.91Å; I422-L453 HydrophobicContact CD1-CD1 3.52Å; I422-L453 HydrophobicContact CD1-CD2 3.9Å; I422-L453 HydrophobicContact CD1-CG 3.52Å
423	R	81	Confident	82.3	Confident	123 Å²	123	52 Å²	52	46%	0.464	25%	0.25	S	C	.	.	H	α-helix	trans	-61.6	-35.8	172.8	-75.7	177.5	-73.6	160.4	8	111.4	E383 Q419 F420 K425	E383-R423 VanDerWaalsContact CD-NH2 3.29Å; E383-R423 IonicContact OE1-CZ 2.77Å; E383-R423 IonicContact OE1-NE 2.66Å; E383-R423 IonicContact OE1-NH1 2.81Å; E383-R423 PolarHBondContact OE1-NH1 3.3Å; E383-R423 IonicContact OE1-NH2 2.97Å; E383-R423 PolarHBondContact OE1-NH2 3.02Å; E383-R423 IonicContact OE2-CZ 3.15Å; E383-R423 IonicContact OE2-NH1 3.72Å; E383-R423 PolarHBondContact OE2-NH1 3.42Å; E383-R423 IonicContact OE2-NH2 3.86Å; E383-R423 PolarHBondContact OE2-NH2 2.86Å; Q419-R423 WeakPolarHBondContact O-CG 3.11Å; Q419-R423 PolarHBondContact O-N 3Å; Q419-R423 PolarHBondContact O-NE 3.1Å; F420-R423 WeakPolarHBondContact O-CB 3.49Å; F420-R423 PolarHBondContact O-N 3.34Å; R423-K425 PolarHBondContact O-N 2.98Å
424	Q	79.9	Confident	82.3	Confident	84 Å²	84	52.2 Å²	52.2	39%	0.393	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	9.1	170.1	-55.6	-58.2	-24.3	0	0	114.2	P389 F420 E421 I422 N426	P389-Q424 HydrophobicContact CB-CG 4.4Å; F420-Q424 HydrophobicContact CD2-CG 4.43Å; F420-Q424 HydrophobicContact CE1-CG 4.06Å; F420-Q424 HydrophobicContact CE2-CG 3.96Å; F420-Q424 HydrophobicContact CZ-CG 3.74Å; F420-Q424 WeakPolarHBondContact O-CG 3.24Å; F420-Q424 PolarHBondContact O-N 3.28Å; E421-Q424 CarbonylContact O-C 3.59Å; E421-Q424 VanDerWaalsContact O-C 3.3Å; E421-Q424 PolarHBondContact O-N 2.89Å; I422-Q424 PolarHBondContact O-N 3.29Å; Q424-N426 PolarHBondContact O-N 2.85Å
425	K	81.9	Confident	82.2	Confident	183 Å²	183	53.7 Å²	53.7	80%	0.796	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	10.2	178.4	-55.6	177.7	-177	174.5	0	115.9	E421 I422 R423 L427	E421-K425 PolarHBondContact O-N 3.42Å; I422-K425 WeakPolarHBondContact O-CA 3.31Å; I422-K425 PolarHBondContact O-N 3.38Å; R423-K425 PolarHBondContact O-N 2.98Å; K425-L427 VanDerWaalsContact C-N 3.33Å; K425-L427 PolarHBondContact O-N 3.37Å
426	N	84.2	Confident	82.2	Confident	54 Å²	54	53.9 Å²	53.9	29%	0.289	27%	0.273	S	S	.	.			trans	-85.1	67.6	-179.1	-175.9	13	0	0	0	111.9	E421 Q424 P428 G429 A430	E421-N426 HydrophobicContact CB-CB 4.31Å; E421-N426 PolarHBondContact O-N 3.18Å; E421-N426 VanDerWaalsContact OE2-CB 3.32Å; E421-N426 WeakPolarHBondContact OE2-CB 3.38Å; E421-N426 PolarHBondContact OE2-ND2 2.89Å; Q424-N426 PolarHBondContact O-N 2.85Å; N426-P428 VanDerWaalsContact C-CD 3.46Å; N426-P428 VanDerWaalsContact C-N 3.35Å; N426-G429 PolarHBondContact O-N 2.94Å; N426-G429 VanDerWaalsContact O-N 3.09Å; N426-G429 PolarHBondContact OD1-N 2.82Å; N426-A430 PolarHBondContact O-N 3.45Å
427	L	79.3	Confident	82	Confident	60 Å²	60	52.4 Å²	52.4	31%	0.314	27%	0.265	S	S	.	.	H	α-helix	trans	-55	-39.7	177.6	-55.6	-179.3	0	0	0	113.7	I422 K425 G429 R431 L457	I422-L427 HydrophobicContact CG1-CD2 4.1Å; K425-L427 VanDerWaalsContact C-N 3.33Å; K425-L427 PolarHBondContact O-N 3.37Å; L427-G429 PolarHBondContact O-N 2.97Å; L427-R431 WeakPolarHBondContact O-CB 3.49Å; L427-R431 WeakPolarHBondContact O-CD 3.38Å; L427-R431 VanDerWaalsContact O-CG 3.27Å; L427-R431 WeakPolarHBondContact O-CG 3.31Å; L427-R431 PolarHBondContact O-N 2.69Å; L427-L457 HydrophobicContact CD1-CD2 4.28Å; L427-L457 HydrophobicContact CD2-CD1 4.08Å; L427-L457 HydrophobicContact CD2-CD2 3.92Å
428	P	84.4	Confident	81.8	Confident	98 Å²	98	53.7 Å²	53.7	64%	0.636	27%	0.272	S	S	*	.	H	α-helix	trans	-63.8	-38.5	174.8	-22.3	35	0	0	0	113	N426 K432	N426-P428 VanDerWaalsContact C-CD 3.46Å; N426-P428 VanDerWaalsContact C-N 3.35Å; P428-K432 WeakPolarHBondContact O-CB 3.48Å; P428-K432 PolarHBondContact O-N 3.4Å
429	G	82.2	Confident	81.5	Confident	15 Å²	15	57 Å²	57	16%	0.155	31%	0.307	C	S	.	.	H	α-helix	trans	-61.2	-55.4	173.6	0	0	0	0	0	111.9	N426 L427 R431 K432 I433	N426-G429 PolarHBondContact O-N 2.94Å; N426-G429 VanDerWaalsContact O-N 3.09Å; N426-G429 PolarHBondContact OD1-N 2.82Å; L427-G429 PolarHBondContact O-N 2.97Å; G429-R431 VanDerWaalsContact C-N 3.32Å; G429-R431 PolarHBondContact O-N 3.21Å; G429-K432 PolarHBondContact O-N 3.26Å; G429-K432 VanDerWaalsContact O-N 3.11Å; G429-I433 WeakPolarHBondContact O-CD1 3.43Å; G429-I433 VanDerWaalsContact O-CG1 3.29Å; G429-I433 WeakPolarHBondContact O-CG1 3.45Å; G429-I433 PolarHBondContact O-N 2.97Å
430	A	82.1	Confident	81	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.008	31%	0.308	C	S	.	.	H	α-helix	trans	-54.5	-45.4	177.8	0	0	0	0	0	112.4	A418 E421 I422 N426 I433 M434	A418-A430 HydrophobicContact CB-CB 4.41Å; E421-A430 HydrophobicContact CB-CB 4.03Å; I422-A430 HydrophobicContact CD1-CB 4.37Å; I422-A430 HydrophobicContact CG1-CB 3.91Å; N426-A430 PolarHBondContact O-N 3.45Å; A430-I433 PolarHBondContact O-N 3.15Å; A430-M434 WeakPolarHBondContact O-CG 3.23Å; A430-M434 PolarHBondContact O-N 3.41Å
431	R	83.9	Confident	79.9	Confident	40 Å²	40	58.5 Å²	58.5	15%	0.151	31%	0.314	C	S	.	.	H	α-helix	trans	-64.4	-39.9	176.9	-74.5	167.8	161.5	172	2.8	112.7	L427 G429 G435 Y450 E454 E459	L427-R431 WeakPolarHBondContact O-CB 3.49Å; L427-R431 WeakPolarHBondContact O-CD 3.38Å; L427-R431 VanDerWaalsContact O-CG 3.27Å; L427-R431 WeakPolarHBondContact O-CG 3.31Å; L427-R431 PolarHBondContact O-N 2.69Å; G429-R431 VanDerWaalsContact C-N 3.32Å; G429-R431 PolarHBondContact O-N 3.21Å; R431-G435 PolarHBondContact O-N 3.09Å; R431-Y450 HydrophobicContact CG-CE2 4.41Å; R431-E454 IonicContact CZ-OE1 3.57Å; R431-E454 IonicContact CZ-OE2 3.37Å; R431-E454 IonicContact NE-OE1 3.35Å; R431-E454 PolarHBondContact NE-OE1 3.41Å; R431-E454 IonicContact NE-OE2 2.81Å; R431-E454 PolarHBondContact NE-OE2 3.38Å; R431-E454 IonicContact NH2-OE1 3.84Å; R431-E454 IonicContact NH2-OE2 2.84Å; R431-E454 PolarHBondContact NH2-OE2 3.39Å; R431-E459 IonicContact CZ-OE1 3.21Å; R431-E459 IonicContact NH1-OE1 2.84Å; R431-E459 PolarHBondContact NH1-OE1 3.46Å; R431-E459 IonicContact NH2-OE1 2.66Å; R431-E459 PolarHBondContact NH2-OE1 2.88Å; R431-E459 IonicContact NH2-OE2 2.66Å
432	K	85.3	Confident	79.3	Confident	169 Å²	169	60.6 Å²	60.6	74%	0.735	33%	0.328	S	S	*	.	H	α-helix	trans	-65.9	-40.3	174.5	-173.8	179.5	179.3	-176.5	0	111.7	P428 G429 S436	P428-K432 WeakPolarHBondContact O-CB 3.48Å; P428-K432 PolarHBondContact O-N 3.4Å; G429-K432 PolarHBondContact O-N 3.26Å; G429-K432 VanDerWaalsContact O-N 3.11Å; K432-S436 WeakPolarHBondContact O-CB 3.3Å; K432-S436 PolarHBondContact O-N 3.04Å; K432-S436 PolarHBondContact O-OG 3.19Å
433	I	83.1	Confident	78.7	Confident	17 Å²	17	61.3 Å²	61.3	9%	0.087	33%	0.329	C	S	.	.	H	α-helix	trans	-62.2	-54.3	175.9	-69.7	158.3	0	0	0	110	W414 F417 E421 G429 A430 G435 S436 A437	W414-I433 HydrophobicContact CE3-CG2 3.77Å; W414-I433 HydrophobicContact CZ3-CG2 4.09Å; F417-I433 HydrophobicContact CD1-CB 4.49Å; F417-I433 HydrophobicContact CD1-CD1 3.67Å; F417-I433 HydrophobicContact CD1-CG1 4Å; F417-I433 HydrophobicContact CD1-CG2 3.66Å; F417-I433 HydrophobicContact CD2-CD1 4.24Å; F417-I433 HydrophobicContact CE1-CD1 3.4Å; F417-I433 VanDerWaalsContact CE1-CD1 3.4Å; F417-I433 HydrophobicContact CE1-CG1 3.69Å; F417-I433 HydrophobicContact CE1-CG2 4.2Å; F417-I433 HydrophobicContact CE2-CD1 3.98Å; F417-I433 HydrophobicContact CG-CD1 4.1Å; F417-I433 HydrophobicContact CG-CG2 4.36Å; F417-I433 HydrophobicContact CZ-CD1 3.56Å; F417-I433 HydrophobicContact CZ-CG1 4.27Å; E421-I433 HydrophobicContact CG-CD1 3.61Å; G429-I433 WeakPolarHBondContact O-CD1 3.43Å; G429-I433 VanDerWaalsContact O-CG1 3.29Å; G429-I433 WeakPolarHBondContact O-CG1 3.45Å; G429-I433 PolarHBondContact O-N 2.97Å; A430-I433 PolarHBondContact O-N 3.15Å; I433-G435 PolarHBondContact O-N 2.83Å; I433-S436 CarbonylContact O-C 3.44Å; I433-S436 PolarHBondContact O-N 3.11Å; I433-S436 VanDerWaalsContact O-N 3.1Å; I433-S436 PolarHBondContact O-OG 3.26Å; I433-A437 PolarHBondContact O-N 3.47Å
434	M	80.8	Confident	78.3	Confident	5 Å²	5	58.3 Å²	58.3	3%	0.025	32%	0.322	C	S	.	.	H	α-helix	trans	-60.4	-42.5	178.2	-69.8	-62.3	-150.2	0	0	112.8	L415 A418 A430 S436 A437 I438 Y450 L453	L415-M434 HydrophobicContact CD2-CE 3.63Å; L415-M434 HydrophobicContact CD2-SD 4.36Å; A418-M434 HydrophobicContact CB-CE 3.46Å; A418-M434 VanDerWaalsContact CB-CE 3.46Å; A418-M434 HydrophobicContact CB-CG 3.87Å; A418-M434 HydrophobicContact CB-SD 3.87Å; A430-M434 WeakPolarHBondContact O-CG 3.23Å; A430-M434 PolarHBondContact O-N 3.41Å; M434-S436 VanDerWaalsContact C-N 3.31Å; M434-S436 PolarHBondContact O-N 2.94Å; M434-A437 WeakPolarHBondContact O-CB 3.46Å; M434-A437 PolarHBondContact O-N 3.16Å; M434-A437 VanDerWaalsContact O-N 3.17Å; M434-I438 WeakPolarHBondContact O-CG1 3.38Å; M434-I438 PolarHBondContact O-N 2.85Å; M434-Y450 HydrophobicContact CB-CD1 3.92Å; M434-Y450 HydrophobicContact CB-CD2 3.59Å; M434-Y450 HydrophobicContact CB-CE1 3.91Å; M434-Y450 HydrophobicContact CB-CE2 3.61Å; M434-Y450 HydrophobicContact CB-CG 3.75Å; M434-Y450 HydrophobicContact CE-CD2 4.49Å; M434-Y450 HydrophobicContact CG-CD2 3.57Å; M434-Y450 HydrophobicContact CG-CE2 3.9Å; M434-Y450 HydrophobicContact CG-CG 3.99Å; M434-L453 HydrophobicContact CE-CD1 3.46Å; M434-L453 VanDerWaalsContact CE-CD1 3.46Å; M434-L453 HydrophobicContact CG-CD1 4.39Å
435	G	81.8	Confident	78.1	Confident	39 Å²	39	62.5 Å²	62.5	40%	0.402	34%	0.339	S	S	.	.	H	α-helix	trans	-59.3	-41	173.4	0	0	0	0	0	112.6	R431 I433 G439	R431-G435 PolarHBondContact O-N 3.09Å; I433-G435 PolarHBondContact O-N 2.83Å; G435-G439 PolarHBondContact O-N 2.91Å
436	S	82	Confident	77.9	Confident	45 Å²	45	53.9 Å²	53.9	32%	0.315	30%	0.301	S	S	.	.	H	α-helix	trans	-70.9	-32	174.9	80.3	0	0	0	0	113.2	W414 K432 I433 M434 K440	W414-S436 WeakPolarHBondContact CZ3-OG 3.48Å; K432-S436 WeakPolarHBondContact O-CB 3.3Å; K432-S436 PolarHBondContact O-N 3.04Å; K432-S436 PolarHBondContact O-OG 3.19Å; I433-S436 CarbonylContact O-C 3.44Å; I433-S436 PolarHBondContact O-N 3.11Å; I433-S436 VanDerWaalsContact O-N 3.1Å; I433-S436 PolarHBondContact O-OG 3.26Å; M434-S436 VanDerWaalsContact C-N 3.31Å; M434-S436 PolarHBondContact O-N 2.94Å; S436-K440 WeakPolarHBondContact O-CB 3.27Å; S436-K440 WeakPolarHBondContact O-CG 3.29Å; S436-K440 PolarHBondContact O-N 3.21Å
437	A	79.3	Confident	77.6	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-46.7	175.3	0	0	0	0	0	110.5	W414 I433 M434 K440 C441 L446	W414-A437 HydrophobicContact CB-CB 4.06Å; W414-A437 HydrophobicContact CD2-CB 3.45Å; W414-A437 VanDerWaalsContact CD2-CB 3.45Å; W414-A437 HydrophobicContact CE3-CB 3.52Å; W414-A437 HydrophobicContact CG-CB 3.75Å; W414-A437 HydrophobicContact CH2-CB 4.44Å; W414-A437 HydrophobicContact CZ2-CB 4.41Å; W414-A437 HydrophobicContact CZ3-CB 4.03Å; I433-A437 PolarHBondContact O-N 3.47Å; M434-A437 WeakPolarHBondContact O-CB 3.46Å; M434-A437 PolarHBondContact O-N 3.16Å; M434-A437 VanDerWaalsContact O-N 3.17Å; A437-K440 PolarHBondContact O-N 2.77Å; A437-C441 CarbonylContact O-C 3.53Å; A437-C441 WeakPolarHBondContact O-CA 3.46Å; A437-C441 PolarHBondContact O-N 2.99Å; A437-C441 VanDerWaalsContact O-O 3.09Å; A437-L446 HydrophobicContact CB-CD1 4.31Å
438	I	77.3	Confident	77.6	Confident	34 Å²	34	52.1 Å²	52.1	17%	0.174	29%	0.289	C	S	.	.	H	α-helix	trans	-65.5	-46	176.6	-66.4	160.4	0	0	0	110.7	M434 K440 C441 P442 L447 Y450	M434-I438 WeakPolarHBondContact O-CG1 3.38Å; M434-I438 PolarHBondContact O-N 2.85Å; I438-K440 VanDerWaalsContact C-N 3.33Å; I438-K440 PolarHBondContact O-N 3.06Å; I438-C441 CarbonylContact O-C 3.56Å; I438-C441 PolarHBondContact O-N 2.86Å; I438-P442 VanDerWaalsContact O-CD 3.32Å; I438-P442 WeakPolarHBondContact O-CD 3.28Å; I438-P442 VanDerWaalsContact O-N 3.16Å; I438-L447 HydrophobicContact CD1-CD2 3.57Å; I438-L447 HydrophobicContact CG1-CD2 3.73Å; I438-L447 HydrophobicContact CG1-CG 4.3Å; I438-L447 HydrophobicContact CG2-CD2 4.02Å; I438-Y450 HydrophobicContact CD1-CD1 3.51Å; I438-Y450 HydrophobicContact CD1-CE1 4.02Å; I438-Y450 HydrophobicContact CD1-CG 4.5Å
439	G	74.9	Confident	77.3	Confident	70 Å²	70	48.1 Å²	48.1	72%	0.722	27%	0.265	S	S	*	.	H	α-helix	trans	-65.1	-30.3	178.7	0	0	0	0	0	114.4	G435	G435-G439 PolarHBondContact O-N 2.91Å
440	K	71.4	Confident	77.2	Confident	115 Å²	115	48.2 Å²	48.2	50%	0.5	26%	0.261	S	S	.	.	H	α-helix	trans	-85	-32.1	172.9	-72.6	-178.7	178.2	-177	0	113	W414 S436 A437 I438	W414-K440 HydrophobicContact CH2-CD 4.1Å; W414-K440 HydrophobicContact CZ2-CD 4.08Å; S436-K440 WeakPolarHBondContact O-CB 3.27Å; S436-K440 WeakPolarHBondContact O-CG 3.29Å; S436-K440 PolarHBondContact O-N 3.21Å; A437-K440 PolarHBondContact O-N 2.77Å; I438-K440 VanDerWaalsContact C-N 3.33Å; I438-K440 PolarHBondContact O-N 3.06Å
441	C	60.4	Low	77.2	Confident	18 Å²	18	48.6 Å²	48.6	12%	0.122	26%	0.263	C	S	.	.			trans	-159.1	95.9	-178.5	-171.8	0	0	0	0	112.4	T409 A437 I438 K443	T409-C441 HydrophobicContact CG2-CB 3.74Å; T409-C441 PolarHBondContact OG1-SG 3.09Å; A437-C441 CarbonylContact O-C 3.53Å; A437-C441 WeakPolarHBondContact O-CA 3.46Å; A437-C441 PolarHBondContact O-N 2.99Å; A437-C441 VanDerWaalsContact O-O 3.09Å; I438-C441 CarbonylContact O-C 3.56Å; I438-C441 PolarHBondContact O-N 2.86Å; C441-K443 PolarHBondContact O-N 2.91Å
442	P	67.2	Low	77.1	Confident	48 Å²	48	52.1 Å²	52.1	31%	0.312	28%	0.281	S	S	.	.			trans	-66.2	123.3	168.8	28.5	-34.4	0	0	0	109.8	I438 F473	I438-P442 VanDerWaalsContact O-CD 3.32Å; I438-P442 WeakPolarHBondContact O-CD 3.28Å; I438-P442 VanDerWaalsContact O-N 3.16Å; P442-F473 HydrophobicContact CB-CD1 3.88Å; P442-F473 HydrophobicContact CB-CD2 3.65Å; P442-F473 HydrophobicContact CB-CE1 3.85Å; P442-F473 HydrophobicContact CB-CE2 3.64Å; P442-F473 HydrophobicContact CB-CG 3.77Å; P442-F473 HydrophobicContact CB-CZ 3.74Å; P442-F473 HydrophobicContact CG-CD2 3.62Å; P442-F473 HydrophobicContact CG-CE1 4.26Å; P442-F473 HydrophobicContact CG-CE2 3.25Å; P442-F473 HydrophobicContact CG-CG 4.27Å; P442-F473 HydrophobicContact CG-CZ 3.61Å
443	K	70.1	Confident	76.8	Confident	68 Å²	68	44.6 Å²	44.6	30%	0.296	25%	0.249	S	C	.	.			trans	-145.8	136.8	177.3	-93.3	175.7	178.6	161.5	0	110.6	T409 C441 K445 L446 L447	T409-K443 PolarHBondContact O-NZ 2.92Å; T409-K443 PolarHBondContact OG1-NZ 3.13Å; C441-K443 PolarHBondContact O-N 2.91Å; K443-K445 VanDerWaalsContact C-N 3.26Å; K443-K445 PolarHBondContact O-N 3.02Å; K443-K445 VanDerWaalsContact O-N 3.13Å; K443-L446 HydrophobicContact CB-CB 4.39Å; K443-L446 HydrophobicContact CB-CD1 4.28Å; K443-L446 HydrophobicContact CB-CG 4.34Å; K443-L446 WeakPolarHBondContact O-CA 3.45Å; K443-L446 WeakPolarHBondContact O-CB 3.25Å; K443-L446 PolarHBondContact O-N 2.95Å; K443-L447 PolarHBondContact O-N 3.48Å
444	N	73	Confident	76.8	Confident	61 Å²	61	43.8 Å²	43.8	33%	0.326	25%	0.245	S	C	.	.	H	α-helix	trans	-51	-41.7	-178	-60	13	0	0	0	112.8	K448 Y470 N477	N444-K448 VanDerWaalsContact O-CB 3.31Å; N444-K448 WeakPolarHBondContact O-CB 3.32Å; N444-K448 VanDerWaalsContact O-CG 3.27Å; N444-K448 WeakPolarHBondContact O-CG 3.49Å; N444-K448 PolarHBondContact O-N 3.09Å; N444-Y470 WeakPolarHBondContact CB-OH 3.47Å; N444-N477 PolarHBondContact ND2-ND2 3.22Å
445	K	76.1	Confident	76.8	Confident	171 Å²	171	47.1 Å²	47.1	74%	0.743	26%	0.262	S	S	*	.	H	α-helix	trans	-72.4	-28.6	176.8	-63.5	-162.2	178.5	-167.3	0	114.3	K443 G449	K443-K445 VanDerWaalsContact C-N 3.26Å; K443-K445 PolarHBondContact O-N 3.02Å; K443-K445 VanDerWaalsContact O-N 3.13Å; K445-G449 PolarHBondContact O-N 3.29Å
446	L	77.9	Confident	76.7	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-73.9	-47.9	174.6	-77.3	176.6	0	0	0	111.1	A411 W414 L415 A437 K443 G449 Y450	A411-L446 HydrophobicContact CB-CD2 3.78Å; A411-L446 HydrophobicContact CB-CG 3.81Å; W414-L446 HydrophobicContact CB-CD2 3.74Å; W414-L446 HydrophobicContact CG-CD2 4.4Å; L415-L446 HydrophobicContact CD2-CD2 4.16Å; L415-L446 HydrophobicContact CG-CD2 4.23Å; A437-L446 HydrophobicContact CB-CD1 4.31Å; K443-L446 HydrophobicContact CB-CB 4.39Å; K443-L446 HydrophobicContact CB-CD1 4.28Å; K443-L446 HydrophobicContact CB-CG 4.34Å; K443-L446 WeakPolarHBondContact O-CA 3.45Å; K443-L446 WeakPolarHBondContact O-CB 3.25Å; K443-L446 PolarHBondContact O-N 2.95Å; L446-G449 PolarHBondContact O-N 2.98Å; L446-Y450 PolarHBondContact O-N 2.85Å
447	L	77.3	Confident	76.6	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-43.6	-179.8	-68.9	156.3	0	0	0	111.3	I438 K443 G449 Y450 I451 Y470 F473	I438-L447 HydrophobicContact CD1-CD2 3.57Å; I438-L447 HydrophobicContact CG1-CD2 3.73Å; I438-L447 HydrophobicContact CG1-CG 4.3Å; I438-L447 HydrophobicContact CG2-CD2 4.02Å; K443-L447 PolarHBondContact O-N 3.48Å; L447-G449 PolarHBondContact O-N 3.28Å; L447-Y450 PolarHBondContact O-N 3.12Å; L447-I451 WeakPolarHBondContact O-CB 3.27Å; L447-I451 VanDerWaalsContact O-CG1 3.3Å; L447-I451 WeakPolarHBondContact O-CG1 3.1Å; L447-I451 PolarHBondContact O-N 3.37Å; L447-Y470 HydrophobicContact CB-CD2 3.45Å; L447-Y470 VanDerWaalsContact CB-CD2 3.45Å; L447-Y470 HydrophobicContact CB-CE2 3.74Å; L447-Y470 HydrophobicContact CD1-CD2 3.87Å; L447-Y470 HydrophobicContact CD1-CE2 4.21Å; L447-Y470 HydrophobicContact CD1-CG 4.4Å; L447-Y470 HydrophobicContact CG-CD2 4.23Å; L447-F473 HydrophobicContact CD1-CD1 4.45Å
448	K	79.5	Confident	76.6	Confident	74 Å²	74	61.9 Å²	61.9	32%	0.322	31%	0.309	S	S	.	.	H	α-helix	trans	-58.1	-46.7	173.8	-74.8	-178.8	179.4	-168.6	0	111.7	N444 Y450 I451 E452 Y470 T479	N444-K448 VanDerWaalsContact O-CB 3.31Å; N444-K448 WeakPolarHBondContact O-CB 3.32Å; N444-K448 VanDerWaalsContact O-CG 3.27Å; N444-K448 WeakPolarHBondContact O-CG 3.49Å; N444-K448 PolarHBondContact O-N 3.09Å; K448-Y450 VanDerWaalsContact C-N 3.34Å; K448-Y450 PolarHBondContact O-N 3Å; K448-I451 PolarHBondContact O-N 3.33Å; K448-E452 WeakPolarHBondContact O-CB 3.33Å; K448-E452 PolarHBondContact O-N 3.2Å; K448-Y470 HydrophobicContact CG-CE2 4.09Å; K448-T479 PolarHBondContact NZ-OG1 3.46Å
449	G	77.8	Confident	76.8	Confident	14 Å²	14	63.9 Å²	63.9	14%	0.144	32%	0.317	C	S	.	.	H	α-helix	trans	-66.6	-28	176.9	0	0	0	0	0	114.7	K445 L446 L447 L453	K445-G449 PolarHBondContact O-N 3.29Å; L446-G449 PolarHBondContact O-N 2.98Å; L447-G449 PolarHBondContact O-N 3.28Å; G449-L453 VanDerWaalsContact O-CB 3.24Å; G449-L453 WeakPolarHBondContact O-CB 3.41Å; G449-L453 PolarHBondContact O-N 3.2Å; G449-L453 VanDerWaalsContact O-N 3.13Å
450	Y	80.4	Confident	76.9	Confident	18 Å²	18	63.4 Å²	63.4	7%	0.071	30%	0.296	C	S	.	.	H	α-helix	trans	-79.4	-34	174	-173.5	-147.4	0	0	0	112.7	R431 M434 I438 L446 L447 K448 L453 E454 L466	R431-Y450 HydrophobicContact CG-CE2 4.41Å; M434-Y450 HydrophobicContact CB-CD1 3.92Å; M434-Y450 HydrophobicContact CB-CD2 3.59Å; M434-Y450 HydrophobicContact CB-CE1 3.91Å; M434-Y450 HydrophobicContact CB-CE2 3.61Å; M434-Y450 HydrophobicContact CB-CG 3.75Å; M434-Y450 HydrophobicContact CE-CD2 4.49Å; M434-Y450 HydrophobicContact CG-CD2 3.57Å; M434-Y450 HydrophobicContact CG-CE2 3.9Å; M434-Y450 HydrophobicContact CG-CG 3.99Å; I438-Y450 HydrophobicContact CD1-CD1 3.51Å; I438-Y450 HydrophobicContact CD1-CE1 4.02Å; I438-Y450 HydrophobicContact CD1-CG 4.5Å; L446-Y450 PolarHBondContact O-N 2.85Å; L447-Y450 PolarHBondContact O-N 3.12Å; K448-Y450 VanDerWaalsContact C-N 3.34Å; K448-Y450 PolarHBondContact O-N 3Å; Y450-L453 HydrophobicContact CD2-CD1 4.3Å; Y450-L453 HydrophobicContact CD2-CD2 4.15Å; Y450-L453 HydrophobicContact CE2-CD2 4.27Å; Y450-L453 PolarHBondContact O-N 3.07Å; Y450-E454 HydrophobicContact CD2-CG 4.01Å; Y450-E454 HydrophobicContact CE2-CG 3.7Å; Y450-E454 WeakPolarHBondContact O-CG 3.27Å; Y450-E454 PolarHBondContact O-N 3.2Å; Y450-E454 PolarHBondContact OH-OE1 2.68Å; Y450-L466 HydrophobicContact CD1-CD1 3.49Å; Y450-L466 VanDerWaalsContact CD1-CD1 3.49Å; Y450-L466 HydrophobicContact CD1-CD2 3.65Å; Y450-L466 HydrophobicContact CD1-CG 4.22Å; Y450-L466 HydrophobicContact CD2-CD1 4.5Å; Y450-L466 HydrophobicContact CE1-CD1 3.63Å; Y450-L466 HydrophobicContact CE1-CD2 3.53Å; Y450-L466 HydrophobicContact CE1-CG 4.23Å; Y450-L466 HydrophobicContact CG-CD1 3.99Å
451	I	81.1	Confident	77.3	Confident	8 Å²	8	62.4 Å²	62.4	4%	0.041	30%	0.296	C	S	.	.	H	α-helix	trans	-64.7	-45.5	171	-71	164.3	0	0	0	110.1	L447 K448 L453 E454 L455 L466 Y467 Y470	L447-I451 WeakPolarHBondContact O-CB 3.27Å; L447-I451 VanDerWaalsContact O-CG1 3.3Å; L447-I451 WeakPolarHBondContact O-CG1 3.1Å; L447-I451 PolarHBondContact O-N 3.37Å; K448-I451 PolarHBondContact O-N 3.33Å; I451-L453 VanDerWaalsContact C-N 3.3Å; I451-L453 PolarHBondContact O-N 2.76Å; I451-E454 PolarHBondContact O-N 3.17Å; I451-L455 WeakPolarHBondContact O-CB 3.3Å; I451-L455 PolarHBondContact O-N 3.34Å; I451-L466 HydrophobicContact CD1-CB 4.3Å; I451-L466 HydrophobicContact CG1-CB 3.73Å; I451-L466 HydrophobicContact CG1-CD1 4.33Å; I451-Y467 HydrophobicContact CD1-CD1 3.99Å; I451-Y467 HydrophobicContact CD1-CD2 4.31Å; I451-Y467 HydrophobicContact CD1-CE1 3.95Å; I451-Y467 HydrophobicContact CD1-CE2 4.27Å; I451-Y467 HydrophobicContact CD1-CG 4.17Å; I451-Y467 HydrophobicContact CG2-CD2 4.34Å; I451-Y467 HydrophobicContact CG2-CE2 3.56Å; I451-Y470 HydrophobicContact CD1-CD2 4.35Å
452	E	81.8	Confident	78.2	Confident	115 Å²	115	66.2 Å²	66.2	54%	0.537	31%	0.308	S	S	.	.	H	α-helix	trans	-59.3	-40.1	175.3	-173.9	177	-177	0	0	112.1	K448 L455 Q456	K448-E452 WeakPolarHBondContact O-CB 3.33Å; K448-E452 PolarHBondContact O-N 3.2Å; E452-L455 PolarHBondContact O-N 2.67Å; E452-Q456 VanDerWaalsContact O-CG 3.31Å; E452-Q456 WeakPolarHBondContact O-CG 3.46Å; E452-Q456 PolarHBondContact O-N 2.78Å
453	L	80.6	Confident	78.8	Confident	11 Å²	11	63.9 Å²	63.9	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-64.9	-49.9	174.4	-179.8	169.2	0	0	0	112.4	A418 I422 M434 G449 Y450 I451 L455 Q456 L457	A418-L453 HydrophobicContact CB-CD1 4.28Å; I422-L453 HydrophobicContact CD1-CD1 3.52Å; I422-L453 HydrophobicContact CD1-CD2 3.9Å; I422-L453 HydrophobicContact CD1-CG 3.52Å; M434-L453 HydrophobicContact CE-CD1 3.46Å; M434-L453 VanDerWaalsContact CE-CD1 3.46Å; M434-L453 HydrophobicContact CG-CD1 4.39Å; G449-L453 VanDerWaalsContact O-CB 3.24Å; G449-L453 WeakPolarHBondContact O-CB 3.41Å; G449-L453 PolarHBondContact O-N 3.2Å; G449-L453 VanDerWaalsContact O-N 3.13Å; Y450-L453 HydrophobicContact CD2-CD1 4.3Å; Y450-L453 HydrophobicContact CD2-CD2 4.15Å; Y450-L453 HydrophobicContact CE2-CD2 4.27Å; Y450-L453 PolarHBondContact O-N 3.07Å; I451-L453 VanDerWaalsContact C-N 3.3Å; I451-L453 PolarHBondContact O-N 2.76Å; L453-L455 VanDerWaalsContact C-N 3.26Å; L453-L455 PolarHBondContact O-N 2.77Å; L453-Q456 WeakPolarHBondContact O-CB 3.44Å; L453-Q456 PolarHBondContact O-N 2.97Å; L453-L457 HydrophobicContact CD2-CD1 3.77Å; L453-L457 HydrophobicContact CD2-CG 4.47Å; L453-L457 WeakPolarHBondContact O-CG 3.32Å; L453-L457 PolarHBondContact O-N 2.66Å
454	E	81.2	Confident	79.4	Confident	0 Å²	0	63 Å²	63	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.3	-25.7	178.2	-68.1	-75	-157.2	0	0	112.1	R431 Y450 I451 L457 R458 E459 R462 L466	R431-E454 IonicContact CZ-OE1 3.57Å; R431-E454 IonicContact CZ-OE2 3.37Å; R431-E454 IonicContact NE-OE1 3.35Å; R431-E454 PolarHBondContact NE-OE1 3.41Å; R431-E454 IonicContact NE-OE2 2.81Å; R431-E454 PolarHBondContact NE-OE2 3.38Å; R431-E454 IonicContact NH2-OE1 3.84Å; R431-E454 IonicContact NH2-OE2 2.84Å; R431-E454 PolarHBondContact NH2-OE2 3.39Å; Y450-E454 HydrophobicContact CD2-CG 4.01Å; Y450-E454 HydrophobicContact CE2-CG 3.7Å; Y450-E454 WeakPolarHBondContact O-CG 3.27Å; Y450-E454 PolarHBondContact O-N 3.2Å; Y450-E454 PolarHBondContact OH-OE1 2.68Å; I451-E454 PolarHBondContact O-N 3.17Å; E454-L457 CarbonylContact O-C 3.3Å; E454-L457 PolarHBondContact O-N 3.12Å; E454-R458 PolarHBondContact O-N 3.16Å; E454-E459 PolarHBondContact O-N 2.63Å; E454-R462 HydrophobicContact CG-CB 4.43Å; E454-R462 VanDerWaalsContact OE1-CD 3.29Å; E454-R462 WeakPolarHBondContact OE1-CD 3.31Å; E454-R462 IonicContact OE1-NH1 3.8Å; E454-L466 HydrophobicContact CB-CD1 4.43Å; E454-L466 HydrophobicContact CG-CD1 3.93Å
455	L	82.4	Confident	79.9	Confident	74 Å²	74	66 Å²	66	39%	0.387	30%	0.297	S	S	.	.	H	α-helix	trans	-69.7	-41.8	171	-176.9	65.1	0	0	0	111.9	I451 E452 L453 L457 R458 F460 L487	I451-L455 WeakPolarHBondContact O-CB 3.3Å; I451-L455 PolarHBondContact O-N 3.34Å; E452-L455 PolarHBondContact O-N 2.67Å; L453-L455 VanDerWaalsContact C-N 3.26Å; L453-L455 PolarHBondContact O-N 2.77Å; L455-L457 VanDerWaalsContact C-N 3.26Å; L455-L457 PolarHBondContact O-N 2.85Å; L455-R458 WeakPolarHBondContact O-CA 3.31Å; L455-R458 PolarHBondContact O-N 3.21Å; L455-F460 HydrophobicContact CD1-CD1 4.19Å; L455-F460 HydrophobicContact CD1-CE1 3.63Å; L455-L487 HydrophobicContact CD1-CD1 3.74Å
456	Q	79.9	Confident	80.2	Confident	144 Å²	144	58.7 Å²	58.7	67%	0.673	27%	0.267	S	S	*	.	H	α-helix	trans	-61.2	-35.3	170.3	-73.6	171.4	9.8	0	0	111.7	E452 L453 R458	E452-Q456 VanDerWaalsContact O-CG 3.31Å; E452-Q456 WeakPolarHBondContact O-CG 3.46Å; E452-Q456 PolarHBondContact O-N 2.78Å; L453-Q456 WeakPolarHBondContact O-CB 3.44Å; L453-Q456 PolarHBondContact O-N 2.97Å; Q456-R458 VanDerWaalsContact C-N 3.26Å; Q456-R458 PolarHBondContact O-N 3.44Å
457	L	78.5	Confident	80.3	Confident	57 Å²	57	59.7 Å²	59.7	30%	0.298	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-3.9	172.3	-62.6	177	0	0	0	114	L427 L453 E454 L455 E459	L427-L457 HydrophobicContact CD1-CD2 4.28Å; L427-L457 HydrophobicContact CD2-CD1 4.08Å; L427-L457 HydrophobicContact CD2-CD2 3.92Å; L453-L457 HydrophobicContact CD2-CD1 3.77Å; L453-L457 HydrophobicContact CD2-CG 4.47Å; L453-L457 WeakPolarHBondContact O-CG 3.32Å; L453-L457 PolarHBondContact O-N 2.66Å; E454-L457 CarbonylContact O-C 3.3Å; E454-L457 PolarHBondContact O-N 3.12Å; L455-L457 VanDerWaalsContact C-N 3.26Å; L455-L457 PolarHBondContact O-N 2.85Å; L457-E459 PolarHBondContact O-N 2.85Å
458	R	78.8	Confident	80.5	Confident	195 Å²	195	64.4 Å²	64.4	74%	0.736	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	25.2	-178.6	-55.8	-175.8	176.3	-160.2	-3.1	115.3	E454 L455 Q456 F460	E454-R458 PolarHBondContact O-N 3.16Å; L455-R458 WeakPolarHBondContact O-CA 3.31Å; L455-R458 PolarHBondContact O-N 3.21Å; Q456-R458 VanDerWaalsContact C-N 3.26Å; Q456-R458 PolarHBondContact O-N 3.44Å; R458-F460 HydrophobicContact CB-CE2 4.08Å; R458-F460 HydrophobicContact CB-CZ 4.31Å; R458-F460 VanDerWaalsContact O-CD2 3.24Å; R458-F460 WeakPolarHBondContact O-CD2 3.48Å; R458-F460 WeakPolarHBondContact O-CE2 3.27Å; R458-F460 PolarHBondContact O-N 2.65Å
459	E	82.6	Confident	80.4	Confident	75 Å²	75	66.5 Å²	66.5	35%	0.35	30%	0.302	S	S	.	.			trans	-91.3	70.6	178.3	-78.7	-143.5	-126.8	0	0	111.9	R431 E454 L457 D461 R462 C463	R431-E459 IonicContact CZ-OE1 3.21Å; R431-E459 IonicContact NH1-OE1 2.84Å; R431-E459 PolarHBondContact NH1-OE1 3.46Å; R431-E459 IonicContact NH2-OE1 2.66Å; R431-E459 PolarHBondContact NH2-OE1 2.88Å; R431-E459 IonicContact NH2-OE2 2.66Å; E454-E459 PolarHBondContact O-N 2.63Å; L457-E459 PolarHBondContact O-N 2.85Å; E459-D461 VanDerWaalsContact C-N 3.3Å; E459-D461 PolarHBondContact O-N 2.87Å; E459-R462 HydrophobicContact CB-CB 4.29Å; E459-R462 HydrophobicContact CB-CG 4.05Å; E459-R462 VanDerWaalsContact CD-NE 3.33Å; E459-R462 WeakPolarHBondContact O-CA 3.37Å; E459-R462 VanDerWaalsContact O-CB 3.3Å; E459-R462 WeakPolarHBondContact O-CB 3.45Å; E459-R462 PolarHBondContact O-N 3.49Å; E459-R462 IonicContact OE1-NE 3.47Å; E459-R462 PolarHBondContact OE1-NE 3.39Å; E459-R462 WeakPolarHBondContact OE2-CD 3.28Å; E459-R462 IonicContact OE2-CZ 3.83Å; E459-R462 IonicContact OE2-NE 2.8Å; E459-R462 PolarHBondContact OE2-NE 2.63Å; E459-C463 PolarHBondContact O-N 2.75Å; E459-C463 VanDerWaalsContact O-N 3.12Å
460	F	77.6	Confident	80.4	Confident	60 Å²	60	65.9 Å²	65.9	26%	0.263	30%	0.295	S	S	.	.	H	α-helix	trans	-56.5	-35.9	-173.6	-57.3	-72.7	0	0	0	114.6	L455 R458 R462 C463 R464 L487 L491	L455-F460 HydrophobicContact CD1-CD1 4.19Å; L455-F460 HydrophobicContact CD1-CE1 3.63Å; R458-F460 HydrophobicContact CB-CE2 4.08Å; R458-F460 HydrophobicContact CB-CZ 4.31Å; R458-F460 VanDerWaalsContact O-CD2 3.24Å; R458-F460 WeakPolarHBondContact O-CD2 3.48Å; R458-F460 WeakPolarHBondContact O-CE2 3.27Å; R458-F460 PolarHBondContact O-N 2.65Å; F460-R462 PolarHBondContact O-N 3.41Å; F460-C463 WeakPolarHBondContact O-CA 3.26Å; F460-C463 WeakPolarHBondContact O-CB 3.41Å; F460-C463 PolarHBondContact O-N 2.95Å; F460-C463 VanDerWaalsContact O-N 3.08Å; F460-R464 WeakPolarHBondContact O-CG 3.38Å; F460-R464 PolarHBondContact O-N 3.01Å; F460-L487 HydrophobicContact CD1-CD1 4.15Å; F460-L487 HydrophobicContact CE1-CD1 4.25Å; F460-L491 HydrophobicContact CB-CD1 4.04Å; F460-L491 HydrophobicContact CB-CD2 4.5Å; F460-L491 HydrophobicContact CD1-CD1 3.91Å; F460-L491 HydrophobicContact CD1-CD2 3.74Å; F460-L491 HydrophobicContact CD1-CG 4.24Å; F460-L491 HydrophobicContact CD2-CD2 3.94Å; F460-L491 HydrophobicContact CE1-CD2 3.82Å; F460-L491 HydrophobicContact CE1-CG 4.5Å; F460-L491 HydrophobicContact CE2-CD2 4.03Å; F460-L491 HydrophobicContact CG-CD1 4.06Å; F460-L491 HydrophobicContact CG-CD2 3.79Å; F460-L491 HydrophobicContact CZ-CD2 3.97Å
461	D	79.5	Confident	80.2	Confident	95 Å²	95	65.8 Å²	65.8	51%	0.508	30%	0.295	S	S	.	.	H	α-helix	trans	-70.3	-14.2	175.9	-67	-29	0	0	0	114	E459 R464 K465	E459-D461 VanDerWaalsContact C-N 3.3Å; E459-D461 PolarHBondContact O-N 2.87Å; D461-R464 IonicContact OD1-CZ 2.63Å; D461-R464 IonicContact OD1-NH1 3.74Å; D461-R464 PolarHBondContact OD1-NH1 3.42Å; D461-K465 WeakPolarHBondContact O-CD 3.45Å; D461-K465 WeakPolarHBondContact O-CG 3.41Å
462	R	79.3	Confident	79.9	Confident	97 Å²	97	72.5 Å²	72.5	37%	0.366	33%	0.327	S	S	.	.	H	α-helix	trans	-84.5	-43.9	164.8	-60.7	-178.9	177.2	-110.6	-9.3	110.5	E454 E459 F460 R464 K465 L466	E454-R462 HydrophobicContact CG-CB 4.43Å; E454-R462 VanDerWaalsContact OE1-CD 3.29Å; E454-R462 WeakPolarHBondContact OE1-CD 3.31Å; E454-R462 IonicContact OE1-NH1 3.8Å; E459-R462 HydrophobicContact CB-CB 4.29Å; E459-R462 HydrophobicContact CB-CG 4.05Å; E459-R462 VanDerWaalsContact CD-NE 3.33Å; E459-R462 WeakPolarHBondContact O-CA 3.37Å; E459-R462 VanDerWaalsContact O-CB 3.3Å; E459-R462 WeakPolarHBondContact O-CB 3.45Å; E459-R462 PolarHBondContact O-N 3.49Å; E459-R462 IonicContact OE1-NE 3.47Å; E459-R462 PolarHBondContact OE1-NE 3.39Å; E459-R462 WeakPolarHBondContact OE2-CD 3.28Å; E459-R462 IonicContact OE2-CZ 3.83Å; E459-R462 IonicContact OE2-NE 2.8Å; E459-R462 PolarHBondContact OE2-NE 2.63Å; F460-R462 PolarHBondContact O-N 3.41Å; R462-R464 VanDerWaalsContact C-N 3.27Å; R462-R464 PolarHBondContact O-N 3.4Å; R462-K465 CarbonylContact O-C 3.3Å; R462-K465 PolarHBondContact O-N 3.35Å; R462-K465 VanDerWaalsContact O-N 3.08Å; R462-L466 VanDerWaalsContact O-CG 3.3Å; R462-L466 WeakPolarHBondContact O-CG 3.28Å; R462-L466 PolarHBondContact O-N 2.84Å
463	C	79.2	Confident	79.4	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-53.5	-45.6	175.2	-60.6	0	0	0	0	111.4	E459 F460 K465 L466 Y467 L487	E459-C463 PolarHBondContact O-N 2.75Å; E459-C463 VanDerWaalsContact O-N 3.12Å; F460-C463 WeakPolarHBondContact O-CA 3.26Å; F460-C463 WeakPolarHBondContact O-CB 3.41Å; F460-C463 PolarHBondContact O-N 2.95Å; F460-C463 VanDerWaalsContact O-N 3.08Å; C463-K465 PolarHBondContact O-N 3.03Å; C463-L466 CarbonylContact O-C 3.53Å; C463-L466 PolarHBondContact O-N 3.1Å; C463-L466 VanDerWaalsContact O-N 3.1Å; C463-Y467 VanDerWaalsContact O-CD2 3.32Å; C463-Y467 WeakPolarHBondContact O-CD2 3.44Å; C463-Y467 PolarHBondContact O-N 2.71Å; C463-L487 HydrophobicContact CB-CD2 3.74Å
464	R	83.6	Confident	78.8	Confident	49 Å²	49	71.9 Å²	71.9	19%	0.185	32%	0.323	C	S	.	.	H	α-helix	trans	-51.5	-55.7	171.6	-72.5	166.4	175	155.6	-3.6	112	F460 D461 R462 L466 Y467 E468 F484 E488 D493	F460-R464 WeakPolarHBondContact O-CG 3.38Å; F460-R464 PolarHBondContact O-N 3.01Å; D461-R464 IonicContact OD1-CZ 2.63Å; D461-R464 IonicContact OD1-NH1 3.74Å; D461-R464 PolarHBondContact OD1-NH1 3.42Å; R462-R464 VanDerWaalsContact C-N 3.27Å; R462-R464 PolarHBondContact O-N 3.4Å; R464-L466 PolarHBondContact O-N 2.99Å; R464-L466 VanDerWaalsContact O-N 3.16Å; R464-Y467 PolarHBondContact O-N 3.08Å; R464-Y467 VanDerWaalsContact O-N 3.11Å; R464-E468 WeakPolarHBondContact O-CG 3.42Å; R464-E468 PolarHBondContact O-N 3.08Å; R464-F484 HydrophobicContact CG-CE2 4.34Å; R464-E488 WeakPolarHBondContact CG-OE1 3.46Å; R464-E488 IonicContact CZ-OE1 2.8Å; R464-E488 IonicContact CZ-OE2 3.53Å; R464-E488 IonicContact NE-OE1 3.34Å; R464-E488 PolarHBondContact NE-OE1 2.9Å; R464-E488 IonicContact NE-OE2 2.71Å; R464-E488 PolarHBondContact NE-OE2 2.79Å; R464-E488 IonicContact NH2-OE1 2.75Å; R464-E488 PolarHBondContact NH2-OE1 3.37Å; R464-E488 IonicContact NH2-OE2 3.46Å; R464-E488 PolarHBondContact NH2-OE2 3.33Å; R464-D493 IonicContact NH2-OD2 3.91Å; R464-D493 PolarHBondContact NH2-OD2 3.31Å
465	K	83.1	Confident	78.2	Confident	123 Å²	123	73.8 Å²	73.8	54%	0.535	34%	0.336	S	S	.	.	H	α-helix	trans	-65.5	-15.9	178.4	-69.2	167.9	-172.3	154.5	0	114.8	D461 R462 C463 E468 K469	D461-K465 WeakPolarHBondContact O-CD 3.45Å; D461-K465 WeakPolarHBondContact O-CG 3.41Å; R462-K465 CarbonylContact O-C 3.3Å; R462-K465 PolarHBondContact O-N 3.35Å; R462-K465 VanDerWaalsContact O-N 3.08Å; C463-K465 PolarHBondContact O-N 3.03Å; K465-E468 WeakPolarHBondContact CA-OE2 3.38Å; K465-K469 WeakPolarHBondContact O-CD 3.34Å; K465-K469 VanDerWaalsContact O-CG 3.3Å; K465-K469 WeakPolarHBondContact O-CG 3.5Å
466	L	81.2	Confident	77.5	Confident	19 Å²	19	75.9 Å²	75.9	10%	0.099	34%	0.343	C	S	.	.	H	α-helix	trans	-91.1	-34.8	173	-67.2	175.5	0	0	0	111.9	Y450 I451 E454 R462 C463 R464 Y470	Y450-L466 HydrophobicContact CD1-CD1 3.49Å; Y450-L466 VanDerWaalsContact CD1-CD1 3.49Å; Y450-L466 HydrophobicContact CD1-CD2 3.65Å; Y450-L466 HydrophobicContact CD1-CG 4.22Å; Y450-L466 HydrophobicContact CD2-CD1 4.5Å; Y450-L466 HydrophobicContact CE1-CD1 3.63Å; Y450-L466 HydrophobicContact CE1-CD2 3.53Å; Y450-L466 HydrophobicContact CE1-CG 4.23Å; Y450-L466 HydrophobicContact CG-CD1 3.99Å; I451-L466 HydrophobicContact CD1-CB 4.3Å; I451-L466 HydrophobicContact CG1-CB 3.73Å; I451-L466 HydrophobicContact CG1-CD1 4.33Å; E454-L466 HydrophobicContact CB-CD1 4.43Å; E454-L466 HydrophobicContact CG-CD1 3.93Å; R462-L466 VanDerWaalsContact O-CG 3.3Å; R462-L466 WeakPolarHBondContact O-CG 3.28Å; R462-L466 PolarHBondContact O-N 2.84Å; C463-L466 CarbonylContact O-C 3.53Å; C463-L466 PolarHBondContact O-N 3.1Å; C463-L466 VanDerWaalsContact O-N 3.1Å; R464-L466 PolarHBondContact O-N 2.99Å; R464-L466 VanDerWaalsContact O-N 3.16Å; L466-Y470 WeakPolarHBondContact O-CB 3.3Å; L466-Y470 PolarHBondContact O-N 2.95Å
467	Y	80.6	Confident	77.2	Confident	22 Å²	22	70.7 Å²	70.7	9%	0.086	32%	0.321	C	S	.	.	H	α-helix	trans	-66.8	-45.4	168.8	-83.8	-68.1	0	0	0	111.5	I451 C463 R464 K469 Y470 L471 K483 F484 L487	I451-Y467 HydrophobicContact CD1-CD1 3.99Å; I451-Y467 HydrophobicContact CD1-CD2 4.31Å; I451-Y467 HydrophobicContact CD1-CE1 3.95Å; I451-Y467 HydrophobicContact CD1-CE2 4.27Å; I451-Y467 HydrophobicContact CD1-CG 4.17Å; I451-Y467 HydrophobicContact CG2-CD2 4.34Å; I451-Y467 HydrophobicContact CG2-CE2 3.56Å; C463-Y467 VanDerWaalsContact O-CD2 3.32Å; C463-Y467 WeakPolarHBondContact O-CD2 3.44Å; C463-Y467 PolarHBondContact O-N 2.71Å; R464-Y467 PolarHBondContact O-N 3.08Å; R464-Y467 VanDerWaalsContact O-N 3.11Å; Y467-K469 VanDerWaalsContact C-N 3.31Å; Y467-K469 PolarHBondContact O-N 3.11Å; Y467-Y470 WeakPolarHBondContact O-CA 3.48Å; Y467-Y470 VanDerWaalsContact O-CB 3.31Å; Y467-Y470 WeakPolarHBondContact O-CB 3.49Å; Y467-Y470 PolarHBondContact O-N 3.02Å; Y467-L471 VanDerWaalsContact O-CG 3.23Å; Y467-L471 WeakPolarHBondContact O-CG 3.35Å; Y467-L471 PolarHBondContact O-N 2.9Å; Y467-K483 HydrophobicContact CE1-CB 4.2Å; Y467-K483 PolarHBondContact OH-O 3.1Å; Y467-K483 VanDerWaalsContact OH-O 3.06Å; Y467-F484 HydrophobicContact CD1-CB 3.66Å; Y467-F484 HydrophobicContact CD1-CD2 4.25Å; Y467-F484 HydrophobicContact CD1-CG 4.06Å; Y467-F484 HydrophobicContact CD2-CB 4.4Å; Y467-F484 AromaticContact CD2-CD2 3.58Å; Y467-F484 HydrophobicContact CD2-CD2 3.58Å; Y467-F484 HydrophobicContact CD2-CE2 4.21Å; Y467-F484 HydrophobicContact CD2-CG 4.22Å; Y467-F484 HydrophobicContact CE1-CB 4.03Å; Y467-F484 HydrophobicContact CE2-CD2 4.32Å; Y467-F484 HydrophobicContact CG-CB 3.87Å; Y467-F484 AromaticContact CG-CD2 3.54Å; Y467-F484 HydrophobicContact CG-CD2 3.54Å; Y467-F484 HydrophobicContact CG-CE2 4.22Å; Y467-F484 AromaticContact CG-CG 3.75Å; Y467-F484 HydrophobicContact CG-CG 3.75Å; Y467-L487 HydrophobicContact CD2-CD2 4.14Å; Y467-L487 HydrophobicContact CE2-CB 4.43Å; Y467-L487 HydrophobicContact CE2-CD2 3.69Å
468	E	81.1	Confident	76.7	Confident	102 Å²	102	68.6 Å²	68.6	48%	0.477	31%	0.31	S	S	.	.	H	α-helix	trans	-48.4	-53.1	171.4	-72.8	166.6	178.3	0	0	110.8	R464 K465 Y470 L471 E472	R464-E468 WeakPolarHBondContact O-CG 3.42Å; R464-E468 PolarHBondContact O-N 3.08Å; K465-E468 WeakPolarHBondContact CA-OE2 3.38Å; E468-Y470 PolarHBondContact O-N 3.01Å; E468-L471 PolarHBondContact O-N 3.03Å; E468-E472 WeakPolarHBondContact O-CG 3.35Å; E468-E472 PolarHBondContact O-N 2.7Å
469	K	78.7	Confident	76.7	Confident	119 Å²	119	62.6 Å²	62.6	52%	0.517	30%	0.296	S	S	.	.	H	α-helix	trans	-69.8	-26.3	178.3	-69.9	179.7	179.4	-172.7	0	114.6	K465 Y467 L471 F473	K465-K469 WeakPolarHBondContact O-CD 3.34Å; K465-K469 VanDerWaalsContact O-CG 3.3Å; K465-K469 WeakPolarHBondContact O-CG 3.5Å; Y467-K469 VanDerWaalsContact C-N 3.31Å; Y467-K469 PolarHBondContact O-N 3.11Å; K469-L471 VanDerWaalsContact C-N 3.34Å; K469-F473 WeakPolarHBondContact O-CB 3.43Å; K469-F473 PolarHBondContact O-N 3.36Å
470	Y	78.1	Confident	76.5	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.7	-43.5	171.2	-167.2	-66	0	0	0	110.1	N444 L447 K448 I451 L466 Y467 E468 F473 S474 T480	N444-Y470 WeakPolarHBondContact CB-OH 3.47Å; L447-Y470 HydrophobicContact CB-CD2 3.45Å; L447-Y470 VanDerWaalsContact CB-CD2 3.45Å; L447-Y470 HydrophobicContact CB-CE2 3.74Å; L447-Y470 HydrophobicContact CD1-CD2 3.87Å; L447-Y470 HydrophobicContact CD1-CE2 4.21Å; L447-Y470 HydrophobicContact CD1-CG 4.4Å; L447-Y470 HydrophobicContact CG-CD2 4.23Å; K448-Y470 HydrophobicContact CG-CE2 4.09Å; I451-Y470 HydrophobicContact CD1-CD2 4.35Å; L466-Y470 WeakPolarHBondContact O-CB 3.3Å; L466-Y470 PolarHBondContact O-N 2.95Å; Y467-Y470 WeakPolarHBondContact O-CA 3.48Å; Y467-Y470 VanDerWaalsContact O-CB 3.31Å; Y467-Y470 WeakPolarHBondContact O-CB 3.49Å; Y467-Y470 PolarHBondContact O-N 3.02Å; E468-Y470 PolarHBondContact O-N 3.01Å; Y470-F473 PolarHBondContact O-N 2.95Å; Y470-S474 WeakPolarHBondContact CD1-OG 3.35Å; Y470-S474 WeakPolarHBondContact CE1-OG 3.49Å; Y470-S474 PolarHBondContact O-N 3.37Å; Y470-S474 PolarHBondContact O-OG 3.28Å; Y470-T480 HydrophobicContact CD1-CG2 3.87Å; Y470-T480 WeakPolarHBondContact CD1-OG1 3.37Å; Y470-T480 HydrophobicContact CD2-CG2 4.4Å; Y470-T480 VanDerWaalsContact CE1-CB 3.49Å; Y470-T480 HydrophobicContact CE1-CG2 3.3Å; Y470-T480 WeakPolarHBondContact CE1-OG1 3.46Å; Y470-T480 HydrophobicContact CE2-CG2 3.9Å; Y470-T480 HydrophobicContact CG-CG2 4.43Å; Y470-T480 WeakPolarHBondContact OH-CG2 3.26Å
471	L	75	Confident	76.7	Confident	16 Å²	16	56.9 Å²	56.9	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-77.7	-32.2	-176.7	-61.6	171.8	0	0	0	111.7	Y467 E468 K469 F473 P475 W481 F484	Y467-L471 VanDerWaalsContact O-CG 3.23Å; Y467-L471 WeakPolarHBondContact O-CG 3.35Å; Y467-L471 PolarHBondContact O-N 2.9Å; E468-L471 PolarHBondContact O-N 3.03Å; K469-L471 VanDerWaalsContact C-N 3.34Å; L471-F473 VanDerWaalsContact C-N 3.3Å; L471-F473 PolarHBondContact O-N 2.86Å; L471-P475 WeakPolarHBondContact O-CD 3.41Å; L471-P475 VanDerWaalsContact O-CG 3.31Å; L471-P475 WeakPolarHBondContact O-CG 3.43Å; L471-W481 HydrophobicContact CB-CH2 4.32Å; L471-W481 HydrophobicContact CB-CZ2 4.24Å; L471-W481 HydrophobicContact CD1-CD2 4.27Å; L471-W481 HydrophobicContact CD1-CE3 3.87Å; L471-W481 HydrophobicContact CD1-CH2 3.89Å; L471-W481 HydrophobicContact CD1-CZ2 4.27Å; L471-W481 HydrophobicContact CD1-CZ3 3.69Å; L471-W481 HydrophobicContact CD2-CD2 3.76Å; L471-W481 HydrophobicContact CD2-CE3 4.23Å; L471-W481 HydrophobicContact CD2-CG 4.14Å; L471-W481 HydrophobicContact CD2-CH2 4.35Å; L471-W481 HydrophobicContact CD2-CZ2 3.87Å; L471-W481 HydrophobicContact CG-CH2 4.4Å; L471-W481 HydrophobicContact CG-CZ2 4.33Å; L471-F484 HydrophobicContact CD1-CD1 3.7Å; L471-F484 HydrophobicContact CD1-CE1 4.21Å
472	E	75.8	Confident	76.8	Confident	150 Å²	150	53.6 Å²	53.6	70%	0.701	25%	0.251	S	S	*	.	H	α-helix	trans	-57.1	-42	164.5	-74.3	177.6	161.6	0	0	111.9	E468	E468-E472 WeakPolarHBondContact O-CG 3.35Å; E468-E472 PolarHBondContact O-N 2.7Å
473	F	71.2	Confident	76.8	Confident	101 Å²	101	53 Å²	53	44%	0.443	25%	0.252	S	S	.	.	H	α-helix	trans	-82.2	-35.8	-176.9	176.9	-106.4	0	0	0	114	P442 L447 K469 Y470 L471	P442-F473 HydrophobicContact CB-CD1 3.88Å; P442-F473 HydrophobicContact CB-CD2 3.65Å; P442-F473 HydrophobicContact CB-CE1 3.85Å; P442-F473 HydrophobicContact CB-CE2 3.64Å; P442-F473 HydrophobicContact CB-CG 3.77Å; P442-F473 HydrophobicContact CB-CZ 3.74Å; P442-F473 HydrophobicContact CG-CD2 3.62Å; P442-F473 HydrophobicContact CG-CE1 4.26Å; P442-F473 HydrophobicContact CG-CE2 3.25Å; P442-F473 HydrophobicContact CG-CG 4.27Å; P442-F473 HydrophobicContact CG-CZ 3.61Å; L447-F473 HydrophobicContact CD1-CD1 4.45Å; K469-F473 WeakPolarHBondContact O-CB 3.43Å; K469-F473 PolarHBondContact O-N 3.36Å; Y470-F473 PolarHBondContact O-N 2.95Å; L471-F473 VanDerWaalsContact C-N 3.3Å; L471-F473 PolarHBondContact O-N 2.86Å
474	S	66.9	Low	76.9	Confident	12 Å²	12	54.1 Å²	54.1	8%	0.084	26%	0.256	C	S	.	.			trans	-141.8	74.1	-176.5	50.3	0	0	0	0	112.2	Y470 E476	Y470-S474 WeakPolarHBondContact CD1-OG 3.35Å; Y470-S474 WeakPolarHBondContact CE1-OG 3.49Å; Y470-S474 PolarHBondContact O-N 3.37Å; Y470-S474 PolarHBondContact O-OG 3.28Å; S474-E476 PolarHBondContact O-N 3.17Å
475	P	69.4	Low	76.8	Confident	40 Å²	40	51.8 Å²	51.8	26%	0.26	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-30.5	177.8	-15.5	25.9	0	0	0	112.9	L471 N477 W481 Q507 L510	L471-P475 WeakPolarHBondContact O-CD 3.41Å; L471-P475 VanDerWaalsContact O-CG 3.31Å; L471-P475 WeakPolarHBondContact O-CG 3.43Å; P475-N477 PolarHBondContact O-N 2.67Å; P475-N477 VanDerWaalsContact O-N 3.15Å; P475-W481 PolarHBondContact O-NE1 2.87Å; P475-Q507 VanDerWaalsContact CB-OE1 3.25Å; P475-L510 WeakPolarHBondContact O-CD2 3.3Å
476	E	67.4	Low	76.8	Confident	117 Å²	117	49.9 Å²	49.9	55%	0.547	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.4	-173.2	-62.7	159.5	178.3	0	0	114	S474 C478 R509	S474-E476 PolarHBondContact O-N 3.17Å; E476-C478 PolarHBondContact O-N 3.06Å; E476-R509 HydrophobicContact CG-CB 4.46Å
477	N	73.4	Confident	76.8	Confident	36 Å²	36	49.4 Å²	49.4	19%	0.193	24%	0.238	C	C	.	.			trans	-93.4	95.5	-169.2	-165.8	-34.5	0	0	0	113.2	N444 P475 T479 T480	N444-N477 PolarHBondContact ND2-ND2 3.22Å; P475-N477 PolarHBondContact O-N 2.67Å; P475-N477 VanDerWaalsContact O-N 3.15Å; N477-T479 PolarHBondContact O-N 3.08Å; N477-T479 VanDerWaalsContact O-N 3.11Å; N477-T479 WeakPolarHBondContact OD1-CB 3.34Å; N477-T479 PolarHBondContact OD1-N 3.33Å; N477-T479 VanDerWaalsContact OD1-N 3.08Å; N477-T479 PolarHBondContact OD1-OG1 2.93Å; N477-T480 PolarHBondContact O-N 3.07Å; N477-T480 PolarHBondContact O-OG1 3.28Å
478	C	69.3	Low	76.8	Confident	12 Å²	12	48.5 Å²	48.5	8%	0.081	23%	0.234	C	C	.	.	H	α-helix	trans	-50.7	-36.9	176.3	-57.1	0	0	0	0	113.3	E476 T480 W481 I482 M512 L516	E476-C478 PolarHBondContact O-N 3.06Å; C478-T480 PolarHBondContact O-N 2.92Å; C478-W481 PolarHBondContact O-N 3.32Å; C478-I482 VanDerWaalsContact O-CG1 3.28Å; C478-I482 WeakPolarHBondContact O-CG1 3.43Å; C478-I482 PolarHBondContact O-N 3.39Å; C478-I482 VanDerWaalsContact O-N 3.14Å; C478-M512 PolarHBondContact SG-O 2.95Å; C478-L516 HydrophobicContact CB-CB 4.48Å
479	T	77.8	Confident	76.9	Confident	70 Å²	70	45.4 Å²	45.4	43%	0.429	22%	0.223	S	C	.	.	H	α-helix	trans	-64.9	-13.9	-177.7	76.7	0	0	0	0	114.1	K448 N477 K483	K448-T479 PolarHBondContact NZ-OG1 3.46Å; N477-T479 PolarHBondContact O-N 3.08Å; N477-T479 VanDerWaalsContact O-N 3.11Å; N477-T479 WeakPolarHBondContact OD1-CB 3.34Å; N477-T479 PolarHBondContact OD1-N 3.33Å; N477-T479 VanDerWaalsContact OD1-N 3.08Å; N477-T479 PolarHBondContact OD1-OG1 2.93Å; T479-K483 WeakPolarHBondContact O-CB 3.16Å; T479-K483 WeakPolarHBondContact O-CG 3.45Å; T479-K483 PolarHBondContact O-N 2.98Å
480	T	78.4	Confident	77	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-107.2	-19.6	179.8	44.8	0	0	0	0	114.6	Y470 N477 C478 F484	Y470-T480 HydrophobicContact CD1-CG2 3.87Å; Y470-T480 WeakPolarHBondContact CD1-OG1 3.37Å; Y470-T480 HydrophobicContact CD2-CG2 4.4Å; Y470-T480 VanDerWaalsContact CE1-CB 3.49Å; Y470-T480 HydrophobicContact CE1-CG2 3.3Å; Y470-T480 WeakPolarHBondContact CE1-OG1 3.46Å; Y470-T480 HydrophobicContact CE2-CG2 3.9Å; Y470-T480 HydrophobicContact CG-CG2 4.43Å; Y470-T480 WeakPolarHBondContact OH-CG2 3.26Å; N477-T480 PolarHBondContact O-N 3.07Å; N477-T480 PolarHBondContact O-OG1 3.28Å; C478-T480 PolarHBondContact O-N 2.92Å; T480-F484 WeakPolarHBondContact O-CB 3.44Å; T480-F484 PolarHBondContact O-N 3.46Å; T480-F484 VanDerWaalsContact O-N 3.12Å
481	W	81.6	Confident	77	Confident	13 Å²	13	48.9 Å²	48.9	5%	0.049	25%	0.245	C	C	.	.	H	α-helix	trans	-63.2	-49	158.7	-68.7	103.8	0	0	0	110.3	L471 P475 C478 K483 F484 A485 I500 L503 A504 Q507 L516	L471-W481 HydrophobicContact CB-CH2 4.32Å; L471-W481 HydrophobicContact CB-CZ2 4.24Å; L471-W481 HydrophobicContact CD1-CD2 4.27Å; L471-W481 HydrophobicContact CD1-CE3 3.87Å; L471-W481 HydrophobicContact CD1-CH2 3.89Å; L471-W481 HydrophobicContact CD1-CZ2 4.27Å; L471-W481 HydrophobicContact CD1-CZ3 3.69Å; L471-W481 HydrophobicContact CD2-CD2 3.76Å; L471-W481 HydrophobicContact CD2-CE3 4.23Å; L471-W481 HydrophobicContact CD2-CG 4.14Å; L471-W481 HydrophobicContact CD2-CH2 4.35Å; L471-W481 HydrophobicContact CD2-CZ2 3.87Å; L471-W481 HydrophobicContact CG-CH2 4.4Å; L471-W481 HydrophobicContact CG-CZ2 4.33Å; P475-W481 PolarHBondContact O-NE1 2.87Å; C478-W481 PolarHBondContact O-N 3.32Å; W481-K483 PolarHBondContact O-N 3.48Å; W481-F484 PolarHBondContact O-N 3.01Å; W481-A485 PolarHBondContact O-N 2.76Å; W481-I500 HydrophobicContact CE3-CG2 3.98Å; W481-L503 HydrophobicContact CZ3-CB 4.26Å; W481-A504 HydrophobicContact CB-CB 3.9Å; W481-A504 HydrophobicContact CD2-CB 3.47Å; W481-A504 VanDerWaalsContact CD2-CB 3.47Å; W481-A504 HydrophobicContact CE3-CB 3.57Å; W481-A504 HydrophobicContact CG-CB 3.62Å; W481-A504 HydrophobicContact CZ3-CB 4.29Å; W481-Q507 VanDerWaalsContact CZ2-NE2 3.25Å; W481-L516 HydrophobicContact CB-CD1 3.98Å
482	I	82.1	Confident	77.1	Confident	26 Å²	26	50.7 Å²	50.7	13%	0.133	27%	0.268	C	S	.	.	H	α-helix	trans	-56.3	-52.1	176.5	-64.1	172	0	0	0	110.5	C478 F484 A485 E486 V515 L516 S519	C478-I482 VanDerWaalsContact O-CG1 3.28Å; C478-I482 WeakPolarHBondContact O-CG1 3.43Å; C478-I482 PolarHBondContact O-N 3.39Å; C478-I482 VanDerWaalsContact O-N 3.14Å; I482-F484 VanDerWaalsContact C-N 3.27Å; I482-F484 PolarHBondContact O-N 3.17Å; I482-A485 PolarHBondContact O-N 2.89Å; I482-E486 HydrophobicContact CG2-CG 4.28Å; I482-E486 WeakPolarHBondContact CG2-OE1 3.32Å; I482-E486 WeakPolarHBondContact O-CG 3.44Å; I482-E486 PolarHBondContact O-N 2.75Å; I482-V515 HydrophobicContact CD1-CG1 4.15Å; I482-L516 HydrophobicContact CG1-CD1 4.03Å; I482-S519 WeakPolarHBondContact CG1-OG 3.35Å
483	K	79.8	Confident	77.4	Confident	86 Å²	86	46 Å²	46	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-67.4	-20.9	-179.5	-71.5	-161.5	162.4	-60.9	0	115.6	Y467 T479 W481 E486 L487	Y467-K483 HydrophobicContact CE1-CB 4.2Å; Y467-K483 PolarHBondContact OH-O 3.1Å; Y467-K483 VanDerWaalsContact OH-O 3.06Å; T479-K483 WeakPolarHBondContact O-CB 3.16Å; T479-K483 WeakPolarHBondContact O-CG 3.45Å; T479-K483 PolarHBondContact O-N 2.98Å; W481-K483 PolarHBondContact O-N 3.48Å; K483-E486 WeakPolarHBondContact CG-OE2 3.47Å; K483-E486 IonicContact NZ-OE1 2.79Å; K483-E486 IonicContact NZ-OE2 3.48Å; K483-E486 PolarHBondContact NZ-OE2 3.05Å; K483-L487 PolarHBondContact O-N 2.93Å
484	F	81.6	Confident	77.7	Confident	22 Å²	22	42.7 Å²	42.7	10%	0.096	24%	0.235	C	C	.	.	H	α-helix	trans	-78.6	-42.6	172	-173.1	-154	0	0	0	111.1	R464 Y467 L471 T480 W481 I482 L487 E488 I500	R464-F484 HydrophobicContact CG-CE2 4.34Å; Y467-F484 HydrophobicContact CD1-CB 3.66Å; Y467-F484 HydrophobicContact CD1-CD2 4.25Å; Y467-F484 HydrophobicContact CD1-CG 4.06Å; Y467-F484 HydrophobicContact CD2-CB 4.4Å; Y467-F484 AromaticContact CD2-CD2 3.58Å; Y467-F484 HydrophobicContact CD2-CD2 3.58Å; Y467-F484 HydrophobicContact CD2-CE2 4.21Å; Y467-F484 HydrophobicContact CD2-CG 4.22Å; Y467-F484 HydrophobicContact CE1-CB 4.03Å; Y467-F484 HydrophobicContact CE2-CD2 4.32Å; Y467-F484 HydrophobicContact CG-CB 3.87Å; Y467-F484 AromaticContact CG-CD2 3.54Å; Y467-F484 HydrophobicContact CG-CD2 3.54Å; Y467-F484 HydrophobicContact CG-CE2 4.22Å; Y467-F484 AromaticContact CG-CG 3.75Å; Y467-F484 HydrophobicContact CG-CG 3.75Å; L471-F484 HydrophobicContact CD1-CD1 3.7Å; L471-F484 HydrophobicContact CD1-CE1 4.21Å; T480-F484 WeakPolarHBondContact O-CB 3.44Å; T480-F484 PolarHBondContact O-N 3.46Å; T480-F484 VanDerWaalsContact O-N 3.12Å; W481-F484 PolarHBondContact O-N 3.01Å; I482-F484 VanDerWaalsContact C-N 3.27Å; I482-F484 PolarHBondContact O-N 3.17Å; F484-L487 PolarHBondContact O-N 3.04Å; F484-E488 HydrophobicContact CE2-CG 4.32Å; F484-E488 PolarHBondContact O-N 3.3Å; F484-I500 HydrophobicContact CB-CG2 4.33Å; F484-I500 HydrophobicContact CD1-CD1 3.6Å; F484-I500 HydrophobicContact CD1-CG1 3.83Å; F484-I500 HydrophobicContact CD1-CG2 3.81Å; F484-I500 HydrophobicContact CD2-CD1 4.11Å; F484-I500 HydrophobicContact CE1-CD1 3.57Å; F484-I500 HydrophobicContact CE1-CG1 3.76Å; F484-I500 HydrophobicContact CE2-CD1 4.06Å; F484-I500 HydrophobicContact CG-CD1 3.88Å; F484-I500 HydrophobicContact CG-CG2 4.33Å; F484-I500 HydrophobicContact CZ-CD1 3.81Å; F484-I500 HydrophobicContact CZ-CG1 4.41Å
485	A	80.7	Confident	78.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.1	-45.2	173.4	0	0	0	0	0	112	W481 I482 L487 E488 T489 A497 I500 F501	W481-A485 PolarHBondContact O-N 2.76Å; I482-A485 PolarHBondContact O-N 2.89Å; A485-L487 PolarHBondContact O-N 3.3Å; A485-E488 PolarHBondContact O-N 3.48Å; A485-T489 WeakPolarHBondContact O-CB 3.41Å; A485-T489 PolarHBondContact O-N 2.68Å; A485-T489 PolarHBondContact O-OG1 3.4Å; A485-A497 HydrophobicContact CB-CB 4.44Å; A485-I500 HydrophobicContact CB-CG2 4.16Å; A485-F501 HydrophobicContact CB-CD1 4.37Å; A485-F501 HydrophobicContact CB-CD2 4Å; A485-F501 HydrophobicContact CB-CE1 3.92Å; A485-F501 HydrophobicContact CB-CE2 3.5Å; A485-F501 HydrophobicContact CB-CG 4.41Å; A485-F501 HydrophobicContact CB-CZ 3.46Å; A485-F501 VanDerWaalsContact CB-CZ 3.46Å
486	E	82.2	Confident	78.8	Confident	84 Å²	84	53.4 Å²	53.4	39%	0.393	28%	0.276	S	S	.	.	H	α-helix	trans	-47.3	-43.6	171.1	-76.7	172.9	-168.9	0	0	111.4	I482 K483 I490	I482-E486 HydrophobicContact CG2-CG 4.28Å; I482-E486 WeakPolarHBondContact CG2-OE1 3.32Å; I482-E486 WeakPolarHBondContact O-CG 3.44Å; I482-E486 PolarHBondContact O-N 2.75Å; K483-E486 WeakPolarHBondContact CG-OE2 3.47Å; K483-E486 IonicContact NZ-OE1 2.79Å; K483-E486 IonicContact NZ-OE2 3.48Å; K483-E486 PolarHBondContact NZ-OE2 3.05Å; E486-I490 WeakPolarHBondContact O-CD1 3.38Å; E486-I490 VanDerWaalsContact O-CG1 3.22Å; E486-I490 WeakPolarHBondContact O-CG1 3.34Å; E486-I490 PolarHBondContact O-N 2.74Å
487	L	82.1	Confident	79.5	Confident	9 Å²	9	47.8 Å²	47.8	5%	0.047	25%	0.25	C	C	.	.	H	α-helix	trans	-69.9	-46.2	-179.2	-179.6	61.6	0	0	0	112.9	L455 F460 C463 Y467 K483 F484 A485 T489 I490 L491	L455-L487 HydrophobicContact CD1-CD1 3.74Å; F460-L487 HydrophobicContact CD1-CD1 4.15Å; F460-L487 HydrophobicContact CE1-CD1 4.25Å; C463-L487 HydrophobicContact CB-CD2 3.74Å; Y467-L487 HydrophobicContact CD2-CD2 4.14Å; Y467-L487 HydrophobicContact CE2-CB 4.43Å; Y467-L487 HydrophobicContact CE2-CD2 3.69Å; K483-L487 PolarHBondContact O-N 2.93Å; F484-L487 PolarHBondContact O-N 3.04Å; A485-L487 PolarHBondContact O-N 3.3Å; L487-T489 VanDerWaalsContact C-N 3.28Å; L487-T489 PolarHBondContact O-N 2.85Å; L487-I490 PolarHBondContact O-N 3.04Å; L487-L491 HydrophobicContact CD1-CD1 4.43Å; L487-L491 HydrophobicContact CG-CD1 4.24Å; L487-L491 WeakPolarHBondContact O-CG 3.5Å; L487-L491 PolarHBondContact O-N 3.11Å
488	E	81.4	Confident	80	Confident	2 Å²	2	49 Å²	49	1%	0.009	25%	0.252	C	S	.	.	H	α-helix	trans	-67.4	-31	177.2	-63.6	-66	122.8	0	0	111.4	R464 F484 A485 L491 G492 D493 R496 A497 I500	R464-E488 WeakPolarHBondContact CG-OE1 3.46Å; R464-E488 IonicContact CZ-OE1 2.8Å; R464-E488 IonicContact CZ-OE2 3.53Å; R464-E488 IonicContact NE-OE1 3.34Å; R464-E488 PolarHBondContact NE-OE1 2.9Å; R464-E488 IonicContact NE-OE2 2.71Å; R464-E488 PolarHBondContact NE-OE2 2.79Å; R464-E488 IonicContact NH2-OE1 2.75Å; R464-E488 PolarHBondContact NH2-OE1 3.37Å; R464-E488 IonicContact NH2-OE2 3.46Å; R464-E488 PolarHBondContact NH2-OE2 3.33Å; F484-E488 HydrophobicContact CE2-CG 4.32Å; F484-E488 PolarHBondContact O-N 3.3Å; A485-E488 PolarHBondContact O-N 3.48Å; E488-L491 CarbonylContact O-C 3.39Å; E488-L491 PolarHBondContact O-N 2.94Å; E488-G492 PolarHBondContact O-N 3.25Å; E488-D493 HydrophobicContact CB-CB 4.33Å; E488-D493 PolarHBondContact O-N 3.27Å; E488-R496 HydrophobicContact CB-CB 4.45Å; E488-R496 HydrophobicContact CG-CB 4.29Å; E488-R496 IonicContact OE2-NH1 3.37Å; E488-R496 PolarHBondContact OE2-NH1 2.84Å; E488-A497 HydrophobicContact CB-CB 4.43Å; E488-I500 HydrophobicContact CB-CD1 4.45Å; E488-I500 HydrophobicContact CG-CD1 3.74Å
489	T	82.6	Confident	80.7	Confident	37 Å²	37	50.8 Å²	50.8	23%	0.227	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-45.2	170.5	-59.7	0	0	0	0	111.9	A485 L487 L491 G492 F523	A485-T489 WeakPolarHBondContact O-CB 3.41Å; A485-T489 PolarHBondContact O-N 2.68Å; A485-T489 PolarHBondContact O-OG1 3.4Å; L487-T489 VanDerWaalsContact C-N 3.28Å; L487-T489 PolarHBondContact O-N 2.85Å; T489-L491 PolarHBondContact O-N 3.5Å; T489-G492 PolarHBondContact O-N 3.42Å; T489-F523 HydrophobicContact CG2-CD2 4.26Å; T489-F523 HydrophobicContact CG2-CE2 3.84Å; T489-F523 WeakPolarHBondContact OG1-CE2 3.35Å
490	I	80.3	Confident	81	Confident	138 Å²	138	48 Å²	48	71%	0.708	25%	0.25	S	C	*	.	H	α-helix	trans	-62.4	-26.8	174	-71.3	163.7	0	0	0	111.9	E486 L487	E486-I490 WeakPolarHBondContact O-CD1 3.38Å; E486-I490 VanDerWaalsContact O-CG1 3.22Å; E486-I490 WeakPolarHBondContact O-CG1 3.34Å; E486-I490 PolarHBondContact O-N 2.74Å; L487-I490 PolarHBondContact O-N 3.04Å
491	L	78.5	Confident	81.1	Confident	55 Å²	55	48.4 Å²	48.4	29%	0.288	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-7.8	173.6	-68.9	169.1	0	0	0	114	F460 L487 E488 T489 D493	F460-L491 HydrophobicContact CB-CD1 4.04Å; F460-L491 HydrophobicContact CB-CD2 4.5Å; F460-L491 HydrophobicContact CD1-CD1 3.91Å; F460-L491 HydrophobicContact CD1-CD2 3.74Å; F460-L491 HydrophobicContact CD1-CG 4.24Å; F460-L491 HydrophobicContact CD2-CD2 3.94Å; F460-L491 HydrophobicContact CE1-CD2 3.82Å; F460-L491 HydrophobicContact CE1-CG 4.5Å; F460-L491 HydrophobicContact CE2-CD2 4.03Å; F460-L491 HydrophobicContact CG-CD1 4.06Å; F460-L491 HydrophobicContact CG-CD2 3.79Å; F460-L491 HydrophobicContact CZ-CD2 3.97Å; L487-L491 HydrophobicContact CD1-CD1 4.43Å; L487-L491 HydrophobicContact CG-CD1 4.24Å; L487-L491 WeakPolarHBondContact O-CG 3.5Å; L487-L491 PolarHBondContact O-N 3.11Å; E488-L491 CarbonylContact O-C 3.39Å; E488-L491 PolarHBondContact O-N 2.94Å; T489-L491 PolarHBondContact O-N 3.5Å; L491-D493 VanDerWaalsContact C-N 3.3Å
492	G	76.1	Confident	81.1	Confident	54 Å²	54	51 Å²	51	56%	0.557	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	5.2	-177.1	0	0	0	0	0	115	E488 T489 V494	E488-G492 PolarHBondContact O-N 3.25Å; T489-G492 PolarHBondContact O-N 3.42Å; G492-V494 PolarHBondContact O-N 3.06Å
493	D	82.2	Confident	81.1	Confident	50 Å²	50	54.4 Å²	54.4	27%	0.267	28%	0.282	S	S	.	.			trans	-82.3	58.1	179.5	-84.6	-62.8	0	0	0	110.8	R464 E488 L491 E495 R496 A497	R464-D493 IonicContact NH2-OD2 3.91Å; R464-D493 PolarHBondContact NH2-OD2 3.31Å; E488-D493 HydrophobicContact CB-CB 4.33Å; E488-D493 PolarHBondContact O-N 3.27Å; L491-D493 VanDerWaalsContact C-N 3.3Å; D493-E495 VanDerWaalsContact C-N 3.25Å; D493-E495 PolarHBondContact O-N 2.97Å; D493-E495 VanDerWaalsContact O-N 3.14Å; D493-R496 HydrophobicContact CB-CB 4.37Å; D493-R496 HydrophobicContact CB-CG 4.41Å; D493-R496 WeakPolarHBondContact O-CA 3.4Å; D493-R496 PolarHBondContact O-N 3.23Å; D493-R496 IonicContact OD1-CZ 3.85Å; D493-R496 VanDerWaalsContact OD1-CZ 3.26Å; D493-R496 IonicContact OD1-NH1 2.89Å; D493-R496 PolarHBondContact OD1-NH1 3.2Å; D493-R496 IonicContact OD1-NH2 3.26Å; D493-R496 PolarHBondContact OD1-NH2 3.15Å; D493-R496 IonicContact OD2-CZ 3.96Å; D493-R496 IonicContact OD2-NH1 2.81Å; D493-R496 PolarHBondContact OD2-NH1 3.4Å; D493-R496 IonicContact OD2-NH2 3.57Å; D493-A497 PolarHBondContact O-N 2.89Å; D493-A497 VanDerWaalsContact O-N 3.13Å
494	V	78.6	Confident	81	Confident	32 Å²	32	50.3 Å²	50.3	19%	0.194	26%	0.264	C	S	.	.	H	α-helix	trans	-52.3	-38.6	-173.5	-174.9	0	0	0	0	112.8	G492 R496 A497 R498 F523 Q527	G492-V494 PolarHBondContact O-N 3.06Å; V494-R496 VanDerWaalsContact C-N 3.32Å; V494-R496 PolarHBondContact O-N 2.91Å; V494-A497 PolarHBondContact O-N 3.41Å; V494-R498 WeakPolarHBondContact O-CG 3.42Å; V494-R498 PolarHBondContact O-N 3.23Å; V494-F523 HydrophobicContact CG1-CZ 3.83Å; V494-Q527 HydrophobicContact CG1-CG 4.17Å
495	E	78.8	Confident	80.6	Confident	164 Å²	164	50 Å²	50	77%	0.766	26%	0.263	S	S	*	.	H	α-helix	trans	-65.1	-32.1	177.1	-63.5	-173.1	166	0	0	113	D493 A499	D493-E495 VanDerWaalsContact C-N 3.25Å; D493-E495 PolarHBondContact O-N 2.97Å; D493-E495 VanDerWaalsContact O-N 3.14Å; E495-A499 PolarHBondContact O-N 3.2Å
496	R	80.9	Confident	80.3	Confident	113 Å²	113	53.6 Å²	53.6	43%	0.426	29%	0.288	S	S	.	.	H	α-helix	trans	-77.6	-38	174.5	-60.3	-154.7	-151.9	88.7	26.6	111.8	E488 D493 V494 R498 A499 I500	E488-R496 HydrophobicContact CB-CB 4.45Å; E488-R496 HydrophobicContact CG-CB 4.29Å; E488-R496 IonicContact OE2-NH1 3.37Å; E488-R496 PolarHBondContact OE2-NH1 2.84Å; D493-R496 HydrophobicContact CB-CB 4.37Å; D493-R496 HydrophobicContact CB-CG 4.41Å; D493-R496 WeakPolarHBondContact O-CA 3.4Å; D493-R496 PolarHBondContact O-N 3.23Å; D493-R496 IonicContact OD1-CZ 3.85Å; D493-R496 VanDerWaalsContact OD1-CZ 3.26Å; D493-R496 IonicContact OD1-NH1 2.89Å; D493-R496 PolarHBondContact OD1-NH1 3.2Å; D493-R496 IonicContact OD1-NH2 3.26Å; D493-R496 PolarHBondContact OD1-NH2 3.15Å; D493-R496 IonicContact OD2-CZ 3.96Å; D493-R496 IonicContact OD2-NH1 2.81Å; D493-R496 PolarHBondContact OD2-NH1 3.4Å; D493-R496 IonicContact OD2-NH2 3.57Å; V494-R496 VanDerWaalsContact C-N 3.32Å; V494-R496 PolarHBondContact O-N 2.91Å; R496-R498 VanDerWaalsContact C-N 3.29Å; R496-R498 PolarHBondContact O-N 2.93Å; R496-A499 PolarHBondContact O-N 3.03Å; R496-A499 VanDerWaalsContact O-N 3.15Å; R496-I500 WeakPolarHBondContact O-CB 3.45Å; R496-I500 WeakPolarHBondContact O-CD1 3.28Å; R496-I500 WeakPolarHBondContact O-CG1 3.41Å; R496-I500 PolarHBondContact O-N 3.39Å
497	A	81.9	Confident	79.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.1	-45.4	172	0	0	0	0	0	111.1	A485 E488 D493 V494 I500 F501 F523	A485-A497 HydrophobicContact CB-CB 4.44Å; E488-A497 HydrophobicContact CB-CB 4.43Å; D493-A497 PolarHBondContact O-N 2.89Å; D493-A497 VanDerWaalsContact O-N 3.13Å; V494-A497 PolarHBondContact O-N 3.41Å; A497-I500 PolarHBondContact O-N 2.81Å; A497-F501 WeakPolarHBondContact O-CD2 3.31Å; A497-F501 PolarHBondContact O-N 3.01Å; A497-F523 HydrophobicContact CB-CE1 4.29Å; A497-F523 HydrophobicContact CB-CE2 4.14Å; A497-F523 HydrophobicContact CB-CZ 3.66Å
498	R	83.4	Confident	78.9	Confident	61 Å²	61	57.9 Å²	57.9	23%	0.23	32%	0.319	C	S	.	.	H	α-helix	trans	-57	-50.1	170.8	-73.9	178.4	172	123	13.8	113.1	V494 R496 I500 F501 E502 Y520 F523 E524 Q529	V494-R498 WeakPolarHBondContact O-CG 3.42Å; V494-R498 PolarHBondContact O-N 3.23Å; R496-R498 VanDerWaalsContact C-N 3.29Å; R496-R498 PolarHBondContact O-N 2.93Å; R498-I500 VanDerWaalsContact C-N 3.27Å; R498-I500 PolarHBondContact O-N 3.42Å; R498-F501 PolarHBondContact O-N 2.87Å; R498-E502 PolarHBondContact O-N 2.98Å; R498-Y520 HydrophobicContact CG-CE2 4.5Å; R498-F523 HydrophobicContact CG-CE1 3.95Å; R498-E524 VanDerWaalsContact CG-OE1 3.3Å; R498-E524 WeakPolarHBondContact CG-OE1 3.45Å; R498-E524 IonicContact CZ-OE1 3.34Å; R498-E524 IonicContact CZ-OE2 2.68Å; R498-E524 IonicContact NE-OE1 2.78Å; R498-E524 PolarHBondContact NE-OE1 2.66Å; R498-E524 IonicContact NE-OE2 3.47Å; R498-E524 PolarHBondContact NE-OE2 3.05Å; R498-E524 IonicContact NH2-OE1 3.68Å; R498-E524 PolarHBondContact NH2-OE1 2.69Å; R498-E524 IonicContact NH2-OE2 3.66Å; R498-E524 PolarHBondContact NH2-OE2 2.94Å; R498-Q529 VanDerWaalsContact NH2-CG 3.28Å
499	A	83.8	Confident	77.9	Confident	50 Å²	50	66.9 Å²	66.9	41%	0.413	35%	0.353	S	S	.	.	H	α-helix	trans	-60.1	-37.7	178.8	0	0	0	0	0	112.3	E495 R496 L503	E495-A499 PolarHBondContact O-N 3.2Å; R496-A499 PolarHBondContact O-N 3.03Å; R496-A499 VanDerWaalsContact O-N 3.15Å; A499-L503 WeakPolarHBondContact O-CB 3.48Å; A499-L503 WeakPolarHBondContact O-CD1 3.31Å; A499-L503 WeakPolarHBondContact O-CG 3.39Å; A499-L503 PolarHBondContact O-N 3.1Å
500	I	83.4	Confident	76.9	Confident	12 Å²	12	66 Å²	66	6%	0.062	35%	0.347	C	S	.	.	H	α-helix	trans	-65.4	-43.6	175.4	-68.3	160.5	0	0	0	110.9	W481 F484 A485 E488 R496 A497 R498 A504	W481-I500 HydrophobicContact CE3-CG2 3.98Å; F484-I500 HydrophobicContact CB-CG2 4.33Å; F484-I500 HydrophobicContact CD1-CD1 3.6Å; F484-I500 HydrophobicContact CD1-CG1 3.83Å; F484-I500 HydrophobicContact CD1-CG2 3.81Å; F484-I500 HydrophobicContact CD2-CD1 4.11Å; F484-I500 HydrophobicContact CE1-CD1 3.57Å; F484-I500 HydrophobicContact CE1-CG1 3.76Å; F484-I500 HydrophobicContact CE2-CD1 4.06Å; F484-I500 HydrophobicContact CG-CD1 3.88Å; F484-I500 HydrophobicContact CG-CG2 4.33Å; F484-I500 HydrophobicContact CZ-CD1 3.81Å; F484-I500 HydrophobicContact CZ-CG1 4.41Å; A485-I500 HydrophobicContact CB-CG2 4.16Å; E488-I500 HydrophobicContact CB-CD1 4.45Å; E488-I500 HydrophobicContact CG-CD1 3.74Å; R496-I500 WeakPolarHBondContact O-CB 3.45Å; R496-I500 WeakPolarHBondContact O-CD1 3.28Å; R496-I500 WeakPolarHBondContact O-CG1 3.41Å; R496-I500 PolarHBondContact O-N 3.39Å; A497-I500 PolarHBondContact O-N 2.81Å; R498-I500 VanDerWaalsContact C-N 3.27Å; R498-I500 PolarHBondContact O-N 3.42Å; I500-A504 WeakPolarHBondContact O-CB 3.35Å; I500-A504 PolarHBondContact O-N 2.74Å
501	F	81.4	Confident	75.6	Confident	8 Å²	8	66.3 Å²	66.3	4%	0.035	35%	0.35	C	S	.	.	H	α-helix	trans	-67.3	-44.3	176.9	-75.9	-59.4	0	0	0	113.2	A485 A497 R498 A504 I505 L516 Y520 F523	A485-F501 HydrophobicContact CB-CD1 4.37Å; A485-F501 HydrophobicContact CB-CD2 4Å; A485-F501 HydrophobicContact CB-CE1 3.92Å; A485-F501 HydrophobicContact CB-CE2 3.5Å; A485-F501 HydrophobicContact CB-CG 4.41Å; A485-F501 HydrophobicContact CB-CZ 3.46Å; A485-F501 VanDerWaalsContact CB-CZ 3.46Å; A497-F501 WeakPolarHBondContact O-CD2 3.31Å; A497-F501 PolarHBondContact O-N 3.01Å; R498-F501 PolarHBondContact O-N 2.87Å; F501-A504 PolarHBondContact O-N 3.1Å; F501-I505 WeakPolarHBondContact O-CB 3.35Å; F501-I505 WeakPolarHBondContact O-CG1 3.38Å; F501-I505 PolarHBondContact O-N 2.83Å; F501-L516 HydrophobicContact CD1-CD1 3.99Å; F501-L516 HydrophobicContact CE1-CD1 4.26Å; F501-Y520 HydrophobicContact CB-CD1 3.79Å; F501-Y520 HydrophobicContact CB-CD2 3.55Å; F501-Y520 HydrophobicContact CB-CE1 3.98Å; F501-Y520 HydrophobicContact CB-CE2 3.78Å; F501-Y520 HydrophobicContact CB-CG 3.57Å; F501-Y520 HydrophobicContact CD1-CD2 4.35Å; F501-Y520 HydrophobicContact CD1-CG 4.13Å; F501-Y520 AromaticContact CD2-CD2 3.41Å; F501-Y520 HydrophobicContact CD2-CD2 3.41Å; F501-Y520 VanDerWaalsContact CD2-CD2 3.41Å; F501-Y520 AromaticContact CD2-CE2 3.98Å; F501-Y520 HydrophobicContact CD2-CE2 3.98Å; F501-Y520 HydrophobicContact CD2-CG 4.02Å; F501-Y520 HydrophobicContact CE2-CD2 4.12Å; F501-Y520 HydrophobicContact CG-CD1 4.39Å; F501-Y520 AromaticContact CG-CD2 3.55Å; F501-Y520 HydrophobicContact CG-CD2 3.55Å; F501-Y520 HydrophobicContact CG-CE2 4.18Å; F501-Y520 AromaticContact CG-CG 3.68Å; F501-Y520 HydrophobicContact CG-CG 3.68Å; F501-F523 AromaticContact CD2-CD1 4Å; F501-F523 HydrophobicContact CD2-CD1 4Å; F501-F523 HydrophobicContact CD2-CE1 4.33Å; F501-F523 HydrophobicContact CD2-CG 4.5Å; F501-F523 HydrophobicContact CE2-CB 3.96Å; F501-F523 AromaticContact CE2-CD1 3.69Å; F501-F523 HydrophobicContact CE2-CD1 3.69Å; F501-F523 HydrophobicContact CE2-CD2 4.38Å; F501-F523 HydrophobicContact CE2-CE1 4.24Å; F501-F523 AromaticContact CE2-CG 3.74Å; F501-F523 HydrophobicContact CE2-CG 3.74Å; F501-F523 HydrophobicContact CZ-CB 4.33Å
502	E	80.9	Confident	74.7	Confident	67 Å²	67	68.8 Å²	68.8	31%	0.313	36%	0.361	S	S	.	.	H	α-helix	trans	-64.5	-40.2	175.1	-67.8	-75	145.7	0	0	111.5	R498 A504 I505 S506 Y520 R539	R498-E502 PolarHBondContact O-N 2.98Å; E502-A504 PolarHBondContact O-N 2.96Å; E502-I505 PolarHBondContact O-N 2.79Å; E502-S506 WeakPolarHBondContact O-CB 3.24Å; E502-S506 PolarHBondContact O-N 2.86Å; E502-Y520 HydrophobicContact CG-CE1 4.41Å; E502-Y520 VanDerWaalsContact OE1-CE1 3.3Å; E502-Y520 WeakPolarHBondContact OE1-CE1 3.15Å; E502-Y520 PolarHBondContact OE1-OH 2.98Å; E502-R539 VanDerWaalsContact CD-NH1 3.31Å; E502-R539 IonicContact OE1-NH1 3.56Å; E502-R539 PolarHBondContact OE1-NH1 3.06Å; E502-R539 IonicContact OE2-CZ 2.85Å; E502-R539 IonicContact OE2-NH1 2.83Å; E502-R539 PolarHBondContact OE2-NH1 2.78Å
503	L	82	Confident	74.2	Confident	99 Å²	99	68.8 Å²	68.8	52%	0.518	35%	0.352	S	S	.	.	H	α-helix	trans	-59.5	-46	172.7	-80.5	169	0	0	0	111	W481 A499 S506 Q507	W481-L503 HydrophobicContact CZ3-CB 4.26Å; A499-L503 WeakPolarHBondContact O-CB 3.48Å; A499-L503 WeakPolarHBondContact O-CD1 3.31Å; A499-L503 WeakPolarHBondContact O-CG 3.39Å; A499-L503 PolarHBondContact O-N 3.1Å; L503-S506 WeakPolarHBondContact O-CB 3.3Å; L503-S506 PolarHBondContact O-N 3.22Å; L503-S506 PolarHBondContact O-OG 3.47Å; L503-Q507 WeakPolarHBondContact O-CG 3.46Å
504	A	77.6	Confident	73.6	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-60.7	-47.6	177.2	0	0	0	0	0	111.8	W481 I500 F501 E502 S506 Q507 L510 L516	W481-A504 HydrophobicContact CB-CB 3.9Å; W481-A504 HydrophobicContact CD2-CB 3.47Å; W481-A504 VanDerWaalsContact CD2-CB 3.47Å; W481-A504 HydrophobicContact CE3-CB 3.57Å; W481-A504 HydrophobicContact CG-CB 3.62Å; W481-A504 HydrophobicContact CZ3-CB 4.29Å; I500-A504 WeakPolarHBondContact O-CB 3.35Å; I500-A504 PolarHBondContact O-N 2.74Å; F501-A504 PolarHBondContact O-N 3.1Å; E502-A504 PolarHBondContact O-N 2.96Å; A504-S506 PolarHBondContact O-N 2.93Å; A504-Q507 PolarHBondContact O-N 3.17Å; A504-Q507 VanDerWaalsContact O-N 3.07Å; A504-L510 VanDerWaalsContact O-CD1 3.31Å; A504-L510 WeakPolarHBondContact O-CD1 3.13Å; A504-L516 HydrophobicContact CB-CD1 4.08Å; A504-L516 HydrophobicContact CB-CD2 3.5Å; A504-L516 HydrophobicContact CB-CG 4.38Å
505	I	74.9	Confident	73.4	Confident	15 Å²	15	72.9 Å²	72.9	8%	0.077	37%	0.372	C	S	.	.	H	α-helix	trans	-63.7	-26.7	178.7	-76.9	171.9	0	0	0	113.2	F501 E502 Q507 L516 W517 Y520 L536 R543	F501-I505 WeakPolarHBondContact O-CB 3.35Å; F501-I505 WeakPolarHBondContact O-CG1 3.38Å; F501-I505 PolarHBondContact O-N 2.83Å; E502-I505 PolarHBondContact O-N 2.79Å; I505-Q507 VanDerWaalsContact C-N 3.28Å; I505-Q507 PolarHBondContact O-N 3Å; I505-L516 HydrophobicContact CG1-CD2 4.04Å; I505-W517 HydrophobicContact CD1-CD2 3.91Å; I505-W517 HydrophobicContact CD1-CE3 3.91Å; I505-W517 HydrophobicContact CD1-CH2 4.17Å; I505-W517 HydrophobicContact CD1-CZ2 4.17Å; I505-W517 HydrophobicContact CD1-CZ3 4.06Å; I505-W517 HydrophobicContact CG1-CD2 4.36Å; I505-W517 HydrophobicContact CG1-CZ2 4.26Å; I505-W517 HydrophobicContact CG2-CH2 3.83Å; I505-W517 HydrophobicContact CG2-CZ2 3.5Å; I505-W517 VanDerWaalsContact CG2-CZ2 3.5Å; I505-Y520 HydrophobicContact CD1-CD1 3.46Å; I505-Y520 VanDerWaalsContact CD1-CD1 3.46Å; I505-Y520 HydrophobicContact CD1-CE1 3.94Å; I505-L536 HydrophobicContact CD1-CD1 4.36Å; I505-R543 PolarHBondContact O-NH1 2.83Å; I505-R543 PolarHBondContact O-NH2 3.25Å
506	S	74.4	Confident	73.4	Confident	75 Å²	75	65.1 Å²	65.1	52%	0.524	34%	0.336	S	S	.	.	H	α-helix	trans	-69.9	-21.5	175.2	82.9	0	0	0	0	113.4	E502 L503 A504 P508	E502-S506 WeakPolarHBondContact O-CB 3.24Å; E502-S506 PolarHBondContact O-N 2.86Å; L503-S506 WeakPolarHBondContact O-CB 3.3Å; L503-S506 PolarHBondContact O-N 3.22Å; L503-S506 PolarHBondContact O-OG 3.47Å; A504-S506 PolarHBondContact O-N 2.93Å; S506-P508 WeakPolarHBondContact O-CD 3.39Å
507	Q	72	Confident	73.4	Confident	58 Å²	58	60.1 Å²	60.1	27%	0.271	32%	0.317	S	S	.	.			trans	-79.4	122.8	-174.4	-62.5	-163.3	-2.9	0	0	112.7	P475 W481 L503 A504 I505 R509	P475-Q507 VanDerWaalsContact CB-OE1 3.25Å; W481-Q507 VanDerWaalsContact CZ2-NE2 3.25Å; L503-Q507 WeakPolarHBondContact O-CG 3.46Å; A504-Q507 PolarHBondContact O-N 3.17Å; A504-Q507 VanDerWaalsContact O-N 3.07Å; I505-Q507 VanDerWaalsContact C-N 3.28Å; I505-Q507 PolarHBondContact O-N 3Å; Q507-R509 VanDerWaalsContact C-N 3.26Å; Q507-R509 PolarHBondContact O-N 2.91Å
508	P	62.6	Low	73.4	Confident	125 Å²	125	66 Å²	66	81%	0.812	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-1.4	-178.1	-18.7	33.4	0	0	0	116	S506	S506-P508 WeakPolarHBondContact O-CD 3.39Å
509	R	59.3	Low	73.2	Confident	191 Å²	191	64.1 Å²	64.1	72%	0.721	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	26.7	-171.2	-63.1	-174	-178.2	159.4	1	113.8	E476 Q507	E476-R509 HydrophobicContact CG-CB 4.46Å; Q507-R509 VanDerWaalsContact C-N 3.26Å; Q507-R509 PolarHBondContact O-N 2.91Å
510	L	61.8	Low	73.1	Confident	20 Å²	20	62.4 Å²	62.4	11%	0.105	32%	0.322	C	S	.	.			trans	-86.1	121.9	176.9	-66.8	-178.7	0	0	0	110.6	P475 A504 P513 L516	P475-L510 WeakPolarHBondContact O-CD2 3.3Å; A504-L510 VanDerWaalsContact O-CD1 3.31Å; A504-L510 WeakPolarHBondContact O-CD1 3.13Å; L510-P513 HydrophobicContact CB-CG 4.29Å; L510-P513 WeakPolarHBondContact O-CD 3.46Å; L510-P513 WeakPolarHBondContact O-CG 3.44Å; L510-L516 HydrophobicContact CD1-CD2 3.43Å; L510-L516 VanDerWaalsContact CD1-CD2 3.43Å
511	D	53.6	Low	73.1	Confident	144 Å²	144	62 Å²	62	77%	0.77	32%	0.32	S	S	*	.	S	Bend	trans	-68.8	-36.9	-174.6	-161.7	40.5	0	0	0	112.4
512	M	59.8	Low	73.1	Confident	106 Å²	106	64.5 Å²	64.5	52%	0.522	33%	0.333	S	S	.	.			trans	-131.8	81	175.4	-71.8	-63.2	-61.2	0	0	111.2	C478 E514	C478-M512 PolarHBondContact SG-O 2.95Å; M512-E514 VanDerWaalsContact C-N 3.34Å; M512-E514 PolarHBondContact O-N 3.01Å
513	P	64.7	Low	73.2	Confident	55 Å²	55	61.7 Å²	61.7	36%	0.357	32%	0.32	S	S	.	.	H	α-helix	trans	-62	-36.9	-177.4	-24.2	34.9	0	0	0	113.7	L510 V515 L516 W517	L510-P513 HydrophobicContact CB-CG 4.29Å; L510-P513 WeakPolarHBondContact O-CD 3.46Å; L510-P513 WeakPolarHBondContact O-CG 3.44Å; P513-V515 VanDerWaalsContact C-N 3.28Å; P513-V515 PolarHBondContact O-N 3.2Å; P513-L516 WeakPolarHBondContact O-CB 3.05Å; P513-L516 PolarHBondContact O-N 3.41Å; P513-W517 VanDerWaalsContact O-CD1 3.24Å; P513-W517 PolarHBondContact O-N 3.26Å
514	E	69.1	Low	73.2	Confident	86 Å²	86	57 Å²	57	40%	0.402	30%	0.296	S	S	.	.	H	α-helix	trans	-56.3	-38	-170.9	-59.2	-169.1	155.8	0	0	113.7	M512 W517 K518	M512-E514 VanDerWaalsContact C-N 3.34Å; M512-E514 PolarHBondContact O-N 3.01Å; E514-W517 PolarHBondContact O-N 2.7Å; E514-K518 PolarHBondContact O-N 3.01Å
515	V	76.1	Confident	73.5	Confident	81 Å²	81	59.6 Å²	59.6	49%	0.491	31%	0.309	S	S	.	.	H	α-helix	trans	-66.7	-39.3	-180	-177.8	0	0	0	0	111.2	I482 P513 S519	I482-V515 HydrophobicContact CD1-CG1 4.15Å; P513-V515 VanDerWaalsContact C-N 3.28Å; P513-V515 PolarHBondContact O-N 3.2Å; V515-S519 PolarHBondContact O-N 2.74Å; V515-S519 PolarHBondContact O-OG 2.88Å
516	L	78.6	Confident	73.8	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-67	-46.6	175.4	178	71.7	0	0	0	110.7	C478 W481 I482 F501 A504 I505 L510 P513 K518 S519 Y520	C478-L516 HydrophobicContact CB-CB 4.48Å; W481-L516 HydrophobicContact CB-CD1 3.98Å; I482-L516 HydrophobicContact CG1-CD1 4.03Å; F501-L516 HydrophobicContact CD1-CD1 3.99Å; F501-L516 HydrophobicContact CE1-CD1 4.26Å; A504-L516 HydrophobicContact CB-CD1 4.08Å; A504-L516 HydrophobicContact CB-CD2 3.5Å; A504-L516 HydrophobicContact CB-CG 4.38Å; I505-L516 HydrophobicContact CG1-CD2 4.04Å; L510-L516 HydrophobicContact CD1-CD2 3.43Å; L510-L516 VanDerWaalsContact CD1-CD2 3.43Å; P513-L516 WeakPolarHBondContact O-CB 3.05Å; P513-L516 PolarHBondContact O-N 3.41Å; L516-K518 VanDerWaalsContact C-N 3.33Å; L516-K518 PolarHBondContact O-N 3.49Å; L516-S519 WeakPolarHBondContact CA-OG 3.45Å; L516-S519 PolarHBondContact O-N 2.97Å; L516-S519 PolarHBondContact O-OG 3.49Å; L516-Y520 PolarHBondContact O-N 2.87Å
517	W	80.4	Confident	74	Confident	8 Å²	8	65.2 Å²	65.2	3%	0.03	33%	0.326	C	S	.	.	H	α-helix	trans	-57.7	-44.8	175.5	-78.8	100.7	0	0	0	111.9	I505 P513 E514 Y520 I521 L536 R539 L540	I505-W517 HydrophobicContact CD1-CD2 3.91Å; I505-W517 HydrophobicContact CD1-CE3 3.91Å; I505-W517 HydrophobicContact CD1-CH2 4.17Å; I505-W517 HydrophobicContact CD1-CZ2 4.17Å; I505-W517 HydrophobicContact CD1-CZ3 4.06Å; I505-W517 HydrophobicContact CG1-CD2 4.36Å; I505-W517 HydrophobicContact CG1-CZ2 4.26Å; I505-W517 HydrophobicContact CG2-CH2 3.83Å; I505-W517 HydrophobicContact CG2-CZ2 3.5Å; I505-W517 VanDerWaalsContact CG2-CZ2 3.5Å; P513-W517 VanDerWaalsContact O-CD1 3.24Å; P513-W517 PolarHBondContact O-N 3.26Å; E514-W517 PolarHBondContact O-N 2.7Å; W517-Y520 PolarHBondContact O-N 2.78Å; W517-I521 WeakPolarHBondContact O-CB 3.37Å; W517-I521 WeakPolarHBondContact O-CD1 3.31Å; W517-I521 VanDerWaalsContact O-CG1 3.27Å; W517-I521 WeakPolarHBondContact O-CG1 3.45Å; W517-I521 PolarHBondContact O-N 3.33Å; W517-L536 HydrophobicContact CE3-CD1 3.9Å; W517-L536 HydrophobicContact CE3-CG 4.01Å; W517-L536 HydrophobicContact CH2-CD1 4.41Å; W517-L536 HydrophobicContact CZ3-CD1 3.44Å; W517-L536 VanDerWaalsContact CZ3-CD1 3.44Å; W517-L536 HydrophobicContact CZ3-CG 3.89Å; W517-R539 HydrophobicContact CH2-CB 3.79Å; W517-R539 HydrophobicContact CZ3-CB 4.01Å; W517-L540 HydrophobicContact CB-CD1 4.05Å; W517-L540 HydrophobicContact CB-CD2 4.13Å; W517-L540 HydrophobicContact CD2-CB 4.28Å; W517-L540 HydrophobicContact CD2-CD1 3.79Å; W517-L540 HydrophobicContact CD2-CG 4.46Å; W517-L540 HydrophobicContact CE3-CB 3.84Å; W517-L540 HydrophobicContact CE3-CD1 4.23Å; W517-L540 HydrophobicContact CE3-CG 4.43Å; W517-L540 HydrophobicContact CG-CD1 3.69Å; W517-L540 HydrophobicContact CZ3-CB 4.02Å
518	K	81.1	Confident	74.3	Confident	124 Å²	124	69.1 Å²	69.1	54%	0.539	35%	0.345	S	S	.	.	H	α-helix	trans	-58.7	-48.7	174.3	-167.3	-169.5	177.5	-83.6	0	111.3	E514 L516 Y520 I521 D522	E514-K518 PolarHBondContact O-N 3.01Å; L516-K518 VanDerWaalsContact C-N 3.33Å; L516-K518 PolarHBondContact O-N 3.49Å; K518-Y520 VanDerWaalsContact C-N 3.29Å; K518-Y520 PolarHBondContact O-N 2.96Å; K518-I521 WeakPolarHBondContact O-CB 3.13Å; K518-I521 PolarHBondContact O-N 3.39Å; K518-I521 VanDerWaalsContact O-N 3.16Å; K518-D522 IonicContact NZ-OD1 2.75Å; K518-D522 PolarHBondContact NZ-OD1 2.85Å; K518-D522 IonicContact NZ-OD2 2.63Å; K518-D522 PolarHBondContact NZ-OD2 3.09Å; K518-D522 WeakPolarHBondContact O-CB 3.36Å; K518-D522 PolarHBondContact O-N 2.92Å
519	S	79.6	Confident	75.1	Confident	21 Å²	21	67.4 Å²	67.4	15%	0.147	33%	0.326	C	S	.	.	H	α-helix	trans	-62.4	-31.9	-178.6	64.1	0	0	0	0	114.1	I482 V515 L516 F523	I482-S519 WeakPolarHBondContact CG1-OG 3.35Å; V515-S519 PolarHBondContact O-N 2.74Å; V515-S519 PolarHBondContact O-OG 2.88Å; L516-S519 WeakPolarHBondContact CA-OG 3.45Å; L516-S519 PolarHBondContact O-N 2.97Å; L516-S519 PolarHBondContact O-OG 3.49Å; S519-F523 VanDerWaalsContact O-CB 3.28Å; S519-F523 WeakPolarHBondContact O-CB 3.37Å; S519-F523 PolarHBondContact O-N 2.74Å
520	Y	82.5	Confident	76	Confident	14 Å²	14	61.4 Å²	61.4	6%	0.055	31%	0.305	C	S	.	.	H	α-helix	trans	-78.1	-34.6	175.5	-175.5	-154.3	0	0	0	112	R498 F501 E502 I505 L516 W517 K518 F523 E524 L536	R498-Y520 HydrophobicContact CG-CE2 4.5Å; F501-Y520 HydrophobicContact CB-CD1 3.79Å; F501-Y520 HydrophobicContact CB-CD2 3.55Å; F501-Y520 HydrophobicContact CB-CE1 3.98Å; F501-Y520 HydrophobicContact CB-CE2 3.78Å; F501-Y520 HydrophobicContact CB-CG 3.57Å; F501-Y520 HydrophobicContact CD1-CD2 4.35Å; F501-Y520 HydrophobicContact CD1-CG 4.13Å; F501-Y520 AromaticContact CD2-CD2 3.41Å; F501-Y520 HydrophobicContact CD2-CD2 3.41Å; F501-Y520 VanDerWaalsContact CD2-CD2 3.41Å; F501-Y520 AromaticContact CD2-CE2 3.98Å; F501-Y520 HydrophobicContact CD2-CE2 3.98Å; F501-Y520 HydrophobicContact CD2-CG 4.02Å; F501-Y520 HydrophobicContact CE2-CD2 4.12Å; F501-Y520 HydrophobicContact CG-CD1 4.39Å; F501-Y520 AromaticContact CG-CD2 3.55Å; F501-Y520 HydrophobicContact CG-CD2 3.55Å; F501-Y520 HydrophobicContact CG-CE2 4.18Å; F501-Y520 AromaticContact CG-CG 3.68Å; F501-Y520 HydrophobicContact CG-CG 3.68Å; E502-Y520 HydrophobicContact CG-CE1 4.41Å; E502-Y520 VanDerWaalsContact OE1-CE1 3.3Å; E502-Y520 WeakPolarHBondContact OE1-CE1 3.15Å; E502-Y520 PolarHBondContact OE1-OH 2.98Å; I505-Y520 HydrophobicContact CD1-CD1 3.46Å; I505-Y520 VanDerWaalsContact CD1-CD1 3.46Å; I505-Y520 HydrophobicContact CD1-CE1 3.94Å; L516-Y520 PolarHBondContact O-N 2.87Å; W517-Y520 PolarHBondContact O-N 2.78Å; K518-Y520 VanDerWaalsContact C-N 3.29Å; K518-Y520 PolarHBondContact O-N 2.96Å; Y520-F523 HydrophobicContact CD2-CD1 4.03Å; Y520-F523 HydrophobicContact CE2-CD1 4.35Å; Y520-F523 PolarHBondContact O-N 3.32Å; Y520-E524 HydrophobicContact CD2-CG 4.11Å; Y520-E524 HydrophobicContact CE2-CG 3.84Å; Y520-E524 PolarHBondContact O-N 2.93Å; Y520-L536 HydrophobicContact CD1-CD1 3.46Å; Y520-L536 VanDerWaalsContact CD1-CD1 3.46Å; Y520-L536 HydrophobicContact CD1-CD2 3.37Å; Y520-L536 HydrophobicContact CD1-CG 4.05Å; Y520-L536 HydrophobicContact CD2-CD2 4.29Å; Y520-L536 HydrophobicContact CE1-CD1 3.35Å; Y520-L536 HydrophobicContact CE1-CD2 3.84Å; Y520-L536 HydrophobicContact CE1-CG 4.27Å; Y520-L536 HydrophobicContact CG-CD2 3.64Å
521	I	82	Confident	76.7	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-61.8	-51.8	169.7	-72.9	165	0	0	0	110.3	W517 K518 F523 E524 I525 T533 L536 Y537 L540	W517-I521 WeakPolarHBondContact O-CB 3.37Å; W517-I521 WeakPolarHBondContact O-CD1 3.31Å; W517-I521 VanDerWaalsContact O-CG1 3.27Å; W517-I521 WeakPolarHBondContact O-CG1 3.45Å; W517-I521 PolarHBondContact O-N 3.33Å; K518-I521 WeakPolarHBondContact O-CB 3.13Å; K518-I521 PolarHBondContact O-N 3.39Å; K518-I521 VanDerWaalsContact O-N 3.16Å; I521-F523 VanDerWaalsContact C-N 3.28Å; I521-F523 PolarHBondContact O-N 2.88Å; I521-E524 PolarHBondContact O-N 3.1Å; I521-I525 HydrophobicContact CG2-CD1 3.79Å; I521-I525 WeakPolarHBondContact O-CD1 3.22Å; I521-I525 VanDerWaalsContact O-CG1 3.24Å; I521-I525 WeakPolarHBondContact O-CG1 3.49Å; I521-I525 PolarHBondContact O-N 3.32Å; I521-T533 HydrophobicContact CG2-CG2 3.96Å; I521-L536 HydrophobicContact CB-CD2 4.43Å; I521-L536 HydrophobicContact CG1-CD2 3.58Å; I521-L536 HydrophobicContact CG1-CG 4.11Å; I521-Y537 HydrophobicContact CD1-CD1 4.03Å; I521-Y537 HydrophobicContact CD1-CE1 3.81Å; I521-Y537 HydrophobicContact CD1-CE2 4.37Å; I521-Y537 HydrophobicContact CD1-CG 4.41Å; I521-Y537 HydrophobicContact CG2-CE2 3.67Å; I521-L540 HydrophobicContact CD1-CD2 3.9Å
522	D	82.4	Confident	77.9	Confident	59 Å²	59	62.3 Å²	62.3	32%	0.316	31%	0.307	S	S	.	.	H	α-helix	trans	-57.4	-42.3	178.1	-64.1	-24.4	0	0	0	110.4	K518 I525 E526	K518-D522 IonicContact NZ-OD1 2.75Å; K518-D522 PolarHBondContact NZ-OD1 2.85Å; K518-D522 IonicContact NZ-OD2 2.63Å; K518-D522 PolarHBondContact NZ-OD2 3.09Å; K518-D522 WeakPolarHBondContact O-CB 3.36Å; K518-D522 PolarHBondContact O-N 2.92Å; D522-I525 WeakPolarHBondContact O-CB 3.29Å; D522-I525 PolarHBondContact O-N 2.77Å; D522-E526 WeakPolarHBondContact O-CG 3.48Å; D522-E526 PolarHBondContact O-N 2.91Å
523	F	83.8	Confident	78.8	Confident	9 Å²	9	57.2 Å²	57.2	4%	0.039	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-47.1	175.5	168.9	-102.6	0	0	0	113.9	T489 V494 A497 R498 F501 S519 Y520 I521 I525 E526 Q527	T489-F523 HydrophobicContact CG2-CD2 4.26Å; T489-F523 HydrophobicContact CG2-CE2 3.84Å; T489-F523 WeakPolarHBondContact OG1-CE2 3.35Å; V494-F523 HydrophobicContact CG1-CZ 3.83Å; A497-F523 HydrophobicContact CB-CE1 4.29Å; A497-F523 HydrophobicContact CB-CE2 4.14Å; A497-F523 HydrophobicContact CB-CZ 3.66Å; R498-F523 HydrophobicContact CG-CE1 3.95Å; F501-F523 AromaticContact CD2-CD1 4Å; F501-F523 HydrophobicContact CD2-CD1 4Å; F501-F523 HydrophobicContact CD2-CE1 4.33Å; F501-F523 HydrophobicContact CD2-CG 4.5Å; F501-F523 HydrophobicContact CE2-CB 3.96Å; F501-F523 AromaticContact CE2-CD1 3.69Å; F501-F523 HydrophobicContact CE2-CD1 3.69Å; F501-F523 HydrophobicContact CE2-CD2 4.38Å; F501-F523 HydrophobicContact CE2-CE1 4.24Å; F501-F523 AromaticContact CE2-CG 3.74Å; F501-F523 HydrophobicContact CE2-CG 3.74Å; F501-F523 HydrophobicContact CZ-CB 4.33Å; S519-F523 VanDerWaalsContact O-CB 3.28Å; S519-F523 WeakPolarHBondContact O-CB 3.37Å; S519-F523 PolarHBondContact O-N 2.74Å; Y520-F523 HydrophobicContact CD2-CD1 4.03Å; Y520-F523 HydrophobicContact CE2-CD1 4.35Å; Y520-F523 PolarHBondContact O-N 3.32Å; I521-F523 VanDerWaalsContact C-N 3.28Å; I521-F523 PolarHBondContact O-N 2.88Å; F523-I525 PolarHBondContact O-N 3.2Å; F523-E526 PolarHBondContact O-N 3.03Å; F523-Q527 HydrophobicContact CD2-CG 4.18Å; F523-Q527 HydrophobicContact CE1-CG 4.38Å; F523-Q527 HydrophobicContact CE2-CG 3.79Å; F523-Q527 HydrophobicContact CZ-CG 3.93Å; F523-Q527 WeakPolarHBondContact O-CG 3.26Å; F523-Q527 PolarHBondContact O-N 3.22Å
524	E	82	Confident	79.6	Confident	1 Å²	1	56 Å²	56	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-68.2	-21.8	176.8	-67.9	-65.3	134.9	0	0	112.3	R498 Y520 I521 E528 Q529 N532	R498-E524 VanDerWaalsContact CG-OE1 3.3Å; R498-E524 WeakPolarHBondContact CG-OE1 3.45Å; R498-E524 IonicContact CZ-OE1 3.34Å; R498-E524 IonicContact CZ-OE2 2.68Å; R498-E524 IonicContact NE-OE1 2.78Å; R498-E524 PolarHBondContact NE-OE1 2.66Å; R498-E524 IonicContact NE-OE2 3.47Å; R498-E524 PolarHBondContact NE-OE2 3.05Å; R498-E524 IonicContact NH2-OE1 3.68Å; R498-E524 PolarHBondContact NH2-OE1 2.69Å; R498-E524 IonicContact NH2-OE2 3.66Å; R498-E524 PolarHBondContact NH2-OE2 2.94Å; Y520-E524 HydrophobicContact CD2-CG 4.11Å; Y520-E524 HydrophobicContact CE2-CG 3.84Å; Y520-E524 PolarHBondContact O-N 2.93Å; I521-E524 PolarHBondContact O-N 3.1Å; E524-E528 PolarHBondContact O-N 3.19Å; E524-Q529 PolarHBondContact O-N 2.95Å; E524-Q529 WeakPolarHBondContact OE2-CB 3.33Å; E524-N532 HydrophobicContact CG-CB 4.41Å; E524-N532 PolarHBondContact OE2-ND2 3.49Å; E524-N532 VanDerWaalsContact OE2-ND2 3.13Å
525	I	82.6	Confident	80.2	Confident	54 Å²	54	55.3 Å²	55.3	28%	0.277	27%	0.269	S	S	.	.	H	α-helix	trans	-70.6	-47.3	168.4	-67.1	164.7	0	0	0	110.6	I521 D522 F523 Q527 E528 T533 F556	I521-I525 HydrophobicContact CG2-CD1 3.79Å; I521-I525 WeakPolarHBondContact O-CD1 3.22Å; I521-I525 VanDerWaalsContact O-CG1 3.24Å; I521-I525 WeakPolarHBondContact O-CG1 3.49Å; I521-I525 PolarHBondContact O-N 3.32Å; D522-I525 WeakPolarHBondContact O-CB 3.29Å; D522-I525 PolarHBondContact O-N 2.77Å; F523-I525 PolarHBondContact O-N 3.2Å; I525-Q527 PolarHBondContact O-N 2.66Å; I525-E528 PolarHBondContact O-N 3Å; I525-T533 HydrophobicContact CD1-CG2 4.22Å; I525-T533 HydrophobicContact CG1-CG2 3.84Å; I525-F556 HydrophobicContact CD1-CD2 3.67Å; I525-F556 HydrophobicContact CD1-CE2 4.2Å; I525-F556 HydrophobicContact CG1-CD2 3.78Å; I525-F556 HydrophobicContact CG1-CE2 3.77Å
526	E	81.2	Confident	80.5	Confident	144 Å²	144	51.7 Å²	51.7	67%	0.673	25%	0.247	S	C	*	.	H	α-helix	trans	-60.3	-26.9	174.3	-73.4	179.5	174.9	0	0	113.2	D522 F523	D522-E526 WeakPolarHBondContact O-CG 3.48Å; D522-E526 PolarHBondContact O-N 2.91Å; F523-E526 PolarHBondContact O-N 3.03Å
527	Q	79.3	Confident	80.5	Confident	63 Å²	63	52.2 Å²	52.2	29%	0.294	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	10.4	175.7	-58	-59.5	-64.8	0	0	113.8	V494 F523 I525 Q529	V494-Q527 HydrophobicContact CG1-CG 4.17Å; F523-Q527 HydrophobicContact CD2-CG 4.18Å; F523-Q527 HydrophobicContact CE1-CG 4.38Å; F523-Q527 HydrophobicContact CE2-CG 3.79Å; F523-Q527 HydrophobicContact CZ-CG 3.93Å; F523-Q527 WeakPolarHBondContact O-CG 3.26Å; F523-Q527 PolarHBondContact O-N 3.22Å; I525-Q527 PolarHBondContact O-N 2.66Å; Q527-Q529 WeakPolarHBondContact O-CG 3.33Å; Q527-Q529 PolarHBondContact O-N 3.05Å; Q527-Q529 PolarHBondContact O-NE2 3.2Å
528	E	77.7	Confident	80.5	Confident	141 Å²	141	56.4 Å²	56.4	66%	0.659	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	18.9	179.3	-58.3	-172.3	157.6	0	0	115.6	E524 I525 F530	E524-E528 PolarHBondContact O-N 3.19Å; I525-E528 PolarHBondContact O-N 3Å; E528-F530 VanDerWaalsContact C-N 3.26Å; E528-F530 HydrophobicContact CB-CE2 4.14Å; E528-F530 HydrophobicContact CB-CZ 3.96Å; E528-F530 HydrophobicContact CG-CZ 4.28Å; E528-F530 VanDerWaalsContact O-CD2 3.26Å; E528-F530 WeakPolarHBondContact O-CD2 3.45Å; E528-F530 WeakPolarHBondContact O-CE2 3.48Å; E528-F530 PolarHBondContact O-N 3.36Å
529	Q	80.3	Confident	80.4	Confident	88 Å²	88	56 Å²	56	41%	0.411	26%	0.262	S	S	.	.			trans	-87.9	58.9	-176.8	-67.7	-47.4	-63.1	0	0	112.4	R498 E524 Q527 E531 N532 T533	R498-Q529 VanDerWaalsContact NH2-CG 3.28Å; E524-Q529 PolarHBondContact O-N 2.95Å; E524-Q529 WeakPolarHBondContact OE2-CB 3.33Å; Q527-Q529 WeakPolarHBondContact O-CG 3.33Å; Q527-Q529 PolarHBondContact O-N 3.05Å; Q527-Q529 PolarHBondContact O-NE2 3.2Å; Q529-E531 PolarHBondContact O-N 2.9Å; Q529-N532 HydrophobicContact CB-CB 4.18Å; Q529-N532 WeakPolarHBondContact O-CA 3.2Å; Q529-N532 WeakPolarHBondContact O-CB 3.37Å; Q529-N532 PolarHBondContact O-N 3.15Å; Q529-T533 PolarHBondContact O-N 3.02Å; Q529-T533 VanDerWaalsContact O-N 3.14Å; Q529-T533 PolarHBondContact O-OG1 3.16Å
530	F	76.8	Confident	80.3	Confident	66 Å²	66	55.5 Å²	55.5	29%	0.289	26%	0.258	S	S	.	.	H	α-helix	trans	-50.9	-31.5	-173.3	-50.4	-59.4	0	0	0	114.7	E528 T533 R534 F556 V560	E528-F530 VanDerWaalsContact C-N 3.26Å; E528-F530 HydrophobicContact CB-CE2 4.14Å; E528-F530 HydrophobicContact CB-CZ 3.96Å; E528-F530 HydrophobicContact CG-CZ 4.28Å; E528-F530 VanDerWaalsContact O-CD2 3.26Å; E528-F530 WeakPolarHBondContact O-CD2 3.45Å; E528-F530 WeakPolarHBondContact O-CE2 3.48Å; E528-F530 PolarHBondContact O-N 3.36Å; F530-T533 PolarHBondContact O-N 3.29Å; F530-R534 WeakPolarHBondContact O-CG 3.38Å; F530-R534 PolarHBondContact O-N 3.23Å; F530-F556 HydrophobicContact CB-CZ 4.09Å; F530-F556 AromaticContact CD1-CE2 3.93Å; F530-F556 HydrophobicContact CD1-CE2 3.93Å; F530-F556 HydrophobicContact CD1-CZ 4.06Å; F530-V560 HydrophobicContact CB-CG2 4.42Å; F530-V560 HydrophobicContact CD1-CG1 4.42Å; F530-V560 HydrophobicContact CD1-CG2 3.62Å; F530-V560 HydrophobicContact CD2-CG1 4.29Å; F530-V560 HydrophobicContact CE1-CG2 4.07Å; F530-V560 HydrophobicContact CG-CG1 4.19Å; F530-V560 HydrophobicContact CG-CG2 4.05Å
531	E	77.1	Confident	80	Confident	110 Å²	110	55.8 Å²	55.8	51%	0.514	26%	0.261	S	S	.	.	H	α-helix	trans	-73.3	-33.5	178.6	-153.6	63.7	-167.8	0	0	112.9	Q529 R534 N535	Q529-E531 PolarHBondContact O-N 2.9Å; E531-R534 WeakPolarHBondContact OE2-CD 3.41Å; E531-R534 IonicContact OE2-CZ 3.33Å; E531-R534 IonicContact OE2-NE 3.29Å; E531-R534 IonicContact OE2-NH1 3.84Å; E531-R534 PolarHBondContact OE2-NH1 2.77Å; E531-N535 PolarHBondContact O-N 2.99Å; E531-N535 PolarHBondContact O-ND2 2.93Å
532	N	79.3	Confident	79.7	Confident	72 Å²	72	63.2 Å²	63.2	39%	0.385	30%	0.295	S	S	.	.	H	α-helix	trans	-68.1	-46	169.8	-68.8	-17.8	0	0	0	110	E524 Q529 R534 N535 L536	E524-N532 HydrophobicContact CG-CB 4.41Å; E524-N532 PolarHBondContact OE2-ND2 3.49Å; E524-N532 VanDerWaalsContact OE2-ND2 3.13Å; Q529-N532 HydrophobicContact CB-CB 4.18Å; Q529-N532 WeakPolarHBondContact O-CA 3.2Å; Q529-N532 WeakPolarHBondContact O-CB 3.37Å; Q529-N532 PolarHBondContact O-N 3.15Å; N532-R534 VanDerWaalsContact C-N 3.31Å; N532-R534 PolarHBondContact O-N 2.85Å; N532-N535 CarbonylContact O-C 3.49Å; N532-N535 PolarHBondContact O-N 3.34Å; N532-L536 WeakPolarHBondContact O-CB 3.47Å; N532-L536 PolarHBondContact O-N 3.34Å
533	T	78.9	Confident	79.1	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-56.6	-43	178.3	-38.3	0	0	0	0	111.7	I521 I525 Q529 F530 N535 L536 Y537 F556	I521-T533 HydrophobicContact CG2-CG2 3.96Å; I525-T533 HydrophobicContact CD1-CG2 4.22Å; I525-T533 HydrophobicContact CG1-CG2 3.84Å; Q529-T533 PolarHBondContact O-N 3.02Å; Q529-T533 VanDerWaalsContact O-N 3.14Å; Q529-T533 PolarHBondContact O-OG1 3.16Å; F530-T533 PolarHBondContact O-N 3.29Å; T533-N535 PolarHBondContact O-N 3.46Å; T533-L536 WeakPolarHBondContact O-CB 3.34Å; T533-L536 PolarHBondContact O-N 2.86Å; T533-Y537 HydrophobicContact CG2-CD2 4Å; T533-Y537 HydrophobicContact CG2-CE2 3.9Å; T533-Y537 WeakPolarHBondContact O-CD2 3.17Å; T533-Y537 PolarHBondContact O-N 3.28Å; T533-F556 HydrophobicContact CG2-CD2 4.09Å; T533-F556 HydrophobicContact CG2-CE1 4.23Å; T533-F556 HydrophobicContact CG2-CE2 3.75Å; T533-F556 HydrophobicContact CG2-CG 4.47Å; T533-F556 HydrophobicContact CG2-CZ 3.82Å
534	R	80.8	Confident	78.4	Confident	28 Å²	28	69 Å²	69	11%	0.106	32%	0.317	C	S	.	.	H	α-helix	trans	-57.2	-46.6	171.9	-76.7	168.5	179.1	125.5	16.7	113	F530 E531 N532 L536 K538 Y553 F556 E557	F530-R534 WeakPolarHBondContact O-CG 3.38Å; F530-R534 PolarHBondContact O-N 3.23Å; E531-R534 WeakPolarHBondContact OE2-CD 3.41Å; E531-R534 IonicContact OE2-CZ 3.33Å; E531-R534 IonicContact OE2-NE 3.29Å; E531-R534 IonicContact OE2-NH1 3.84Å; E531-R534 PolarHBondContact OE2-NH1 2.77Å; N532-R534 VanDerWaalsContact C-N 3.31Å; N532-R534 PolarHBondContact O-N 2.85Å; R534-L536 VanDerWaalsContact C-N 3.3Å; R534-K538 VanDerWaalsContact O-CG 3.27Å; R534-K538 WeakPolarHBondContact O-CG 3.3Å; R534-K538 PolarHBondContact O-N 3.26Å; R534-Y553 HydrophobicContact CG-CE2 4.47Å; R534-F556 HydrophobicContact CG-CE1 4.12Å; R534-E557 VanDerWaalsContact CG-OE1 3.28Å; R534-E557 WeakPolarHBondContact CG-OE1 3.45Å; R534-E557 IonicContact CZ-OE1 3.46Å; R534-E557 IonicContact CZ-OE2 2.93Å; R534-E557 IonicContact NE-OE1 2.76Å; R534-E557 PolarHBondContact NE-OE1 3.18Å; R534-E557 IonicContact NE-OE2 3.79Å; R534-E557 IonicContact NH2-OE1 2.76Å; R534-E557 PolarHBondContact NH2-OE1 3.24Å; R534-E557 IonicContact NH2-OE2 3.27Å; R534-E557 PolarHBondContact NH2-OE2 2.74Å
535	N	82.8	Confident	77.9	Confident	72 Å²	72	73.3 Å²	73.3	39%	0.385	34%	0.337	S	S	.	.	H	α-helix	trans	-69.2	-32.5	179.8	-69.6	-35.3	0	0	0	111.6	E531 N532 T533 K538 R539	E531-N535 PolarHBondContact O-N 2.99Å; E531-N535 PolarHBondContact O-ND2 2.93Å; N532-N535 CarbonylContact O-C 3.49Å; N532-N535 PolarHBondContact O-N 3.34Å; T533-N535 PolarHBondContact O-N 3.46Å; N535-K538 PolarHBondContact O-N 2.88Å; N535-R539 VanDerWaalsContact O-CG 3.32Å; N535-R539 WeakPolarHBondContact O-CG 3.45Å; N535-R539 PolarHBondContact O-N 3.25Å
536	L	81.3	Confident	77.4	Confident	6 Å²	6	72.9 Å²	72.9	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-68.6	-45.3	174.9	-163.5	66.7	0	0	0	111.7	I505 W517 Y520 I521 N532 T533 R534 K538 R539 L540	I505-L536 HydrophobicContact CD1-CD1 4.36Å; W517-L536 HydrophobicContact CE3-CD1 3.9Å; W517-L536 HydrophobicContact CE3-CG 4.01Å; W517-L536 HydrophobicContact CH2-CD1 4.41Å; W517-L536 HydrophobicContact CZ3-CD1 3.44Å; W517-L536 VanDerWaalsContact CZ3-CD1 3.44Å; W517-L536 HydrophobicContact CZ3-CG 3.89Å; Y520-L536 HydrophobicContact CD1-CD1 3.46Å; Y520-L536 VanDerWaalsContact CD1-CD1 3.46Å; Y520-L536 HydrophobicContact CD1-CD2 3.37Å; Y520-L536 HydrophobicContact CD1-CG 4.05Å; Y520-L536 HydrophobicContact CD2-CD2 4.29Å; Y520-L536 HydrophobicContact CE1-CD1 3.35Å; Y520-L536 HydrophobicContact CE1-CD2 3.84Å; Y520-L536 HydrophobicContact CE1-CG 4.27Å; Y520-L536 HydrophobicContact CG-CD2 3.64Å; I521-L536 HydrophobicContact CB-CD2 4.43Å; I521-L536 HydrophobicContact CG1-CD2 3.58Å; I521-L536 HydrophobicContact CG1-CG 4.11Å; N532-L536 WeakPolarHBondContact O-CB 3.47Å; N532-L536 PolarHBondContact O-N 3.34Å; T533-L536 WeakPolarHBondContact O-CB 3.34Å; T533-L536 PolarHBondContact O-N 2.86Å; R534-L536 VanDerWaalsContact C-N 3.3Å; L536-K538 PolarHBondContact O-N 3.37Å; L536-R539 PolarHBondContact O-N 3.23Å; L536-L540 WeakPolarHBondContact O-CB 3.32Å; L536-L540 PolarHBondContact O-N 2.92Å
537	Y	79.3	Confident	76.9	Confident	11 Å²	11	66.2 Å²	66.2	4%	0.043	30%	0.303	C	S	.	.	H	α-helix	trans	-58.2	-43.4	170.7	-88.7	-66.6	0	0	0	112.4	I521 T533 R539 L540 L541 V549 S552 Y553 F556	I521-Y537 HydrophobicContact CD1-CD1 4.03Å; I521-Y537 HydrophobicContact CD1-CE1 3.81Å; I521-Y537 HydrophobicContact CD1-CE2 4.37Å; I521-Y537 HydrophobicContact CD1-CG 4.41Å; I521-Y537 HydrophobicContact CG2-CE2 3.67Å; T533-Y537 HydrophobicContact CG2-CD2 4Å; T533-Y537 HydrophobicContact CG2-CE2 3.9Å; T533-Y537 WeakPolarHBondContact O-CD2 3.17Å; T533-Y537 PolarHBondContact O-N 3.28Å; Y537-R539 PolarHBondContact O-N 2.71Å; Y537-L540 PolarHBondContact O-N 2.71Å; Y537-L541 WeakPolarHBondContact O-CB 3.49Å; Y537-L541 VanDerWaalsContact O-CG 3.29Å; Y537-L541 WeakPolarHBondContact O-CG 3.37Å; Y537-L541 PolarHBondContact O-N 3.17Å; Y537-V549 HydrophobicContact CD1-CG1 4.29Å; Y537-S552 PolarHBondContact OH-O 3.26Å; Y537-Y553 AromaticContact CD1-CD2 3.98Å; Y537-Y553 HydrophobicContact CD1-CD2 3.98Å; Y537-Y553 AromaticContact CD1-CG 3.97Å; Y537-Y553 HydrophobicContact CD1-CG 3.97Å; Y537-Y553 AromaticContact CD2-CD2 3.39Å; Y537-Y553 HydrophobicContact CD2-CD2 3.39Å; Y537-Y553 AromaticContact CD2-CE2 3.98Å; Y537-Y553 HydrophobicContact CD2-CE2 3.98Å; Y537-Y553 HydrophobicContact CD2-CG 4.22Å; Y537-Y553 HydrophobicContact CE1-CD2 4.47Å; Y537-Y553 HydrophobicContact CE1-CG 4.46Å; Y537-Y553 AromaticContact CE2-CD2 3.96Å; Y537-Y553 HydrophobicContact CE2-CD2 3.96Å; Y537-Y553 AromaticContact CG-CD2 3.4Å; Y537-Y553 HydrophobicContact CG-CD2 3.4Å; Y537-Y553 VanDerWaalsContact CG-CD2 3.4Å; Y537-Y553 HydrophobicContact CG-CE2 4.05Å; Y537-Y553 AromaticContact CG-CG 3.83Å; Y537-Y553 HydrophobicContact CG-CG 3.83Å; Y537-F556 HydrophobicContact CD2-CD1 4.1Å; Y537-F556 HydrophobicContact CD2-CG 4.44Å; Y537-F556 HydrophobicContact CE2-CB 3.76Å; Y537-F556 AromaticContact CE2-CD1 3.87Å; Y537-F556 HydrophobicContact CE2-CD1 3.87Å; Y537-F556 HydrophobicContact CE2-CD2 4.5Å; Y537-F556 AromaticContact CE2-CG 3.76Å; Y537-F556 HydrophobicContact CE2-CG 3.76Å
538	K	79.9	Confident	76.7	Confident	97 Å²	97	70.1 Å²	70.1	42%	0.422	32%	0.319	S	S	.	.	H	α-helix	trans	-61.3	-42.6	175.3	-70.3	165.9	-168.5	168	0	112.3	R534 N535 L536 Q542	R534-K538 VanDerWaalsContact O-CG 3.27Å; R534-K538 WeakPolarHBondContact O-CG 3.3Å; R534-K538 PolarHBondContact O-N 3.26Å; N535-K538 PolarHBondContact O-N 2.88Å; L536-K538 PolarHBondContact O-N 3.37Å; K538-Q542 VanDerWaalsContact O-CG 3.3Å; K538-Q542 WeakPolarHBondContact O-CG 3.41Å; K538-Q542 PolarHBondContact O-N 2.85Å; K538-Q542 VanDerWaalsContact O-N 3.12Å
539	R	79.1	Confident	76.7	Confident	114 Å²	114	63.9 Å²	63.9	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-64.8	-38.7	174.8	-70.9	171.3	178.7	-170.4	0.2	112.2	E502 W517 N535 L536 Y537 Q542 R543	E502-R539 VanDerWaalsContact CD-NH1 3.31Å; E502-R539 IonicContact OE1-NH1 3.56Å; E502-R539 PolarHBondContact OE1-NH1 3.06Å; E502-R539 IonicContact OE2-CZ 2.85Å; E502-R539 IonicContact OE2-NH1 2.83Å; E502-R539 PolarHBondContact OE2-NH1 2.78Å; W517-R539 HydrophobicContact CH2-CB 3.79Å; W517-R539 HydrophobicContact CZ3-CB 4.01Å; N535-R539 VanDerWaalsContact O-CG 3.32Å; N535-R539 WeakPolarHBondContact O-CG 3.45Å; N535-R539 PolarHBondContact O-N 3.25Å; L536-R539 PolarHBondContact O-N 3.23Å; Y537-R539 PolarHBondContact O-N 2.71Å; R539-Q542 PolarHBondContact O-N 3.44Å; R539-R543 PolarHBondContact O-N 3.05Å
540	L	78.5	Confident	76.7	Confident	12 Å²	12	61 Å²	61	6%	0.063	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-47.1	176.7	178.6	57.1	0	0	0	111.1	W517 I521 L536 Y537 Q542 R543 T544 V549	W517-L540 HydrophobicContact CB-CD1 4.05Å; W517-L540 HydrophobicContact CB-CD2 4.13Å; W517-L540 HydrophobicContact CD2-CB 4.28Å; W517-L540 HydrophobicContact CD2-CD1 3.79Å; W517-L540 HydrophobicContact CD2-CG 4.46Å; W517-L540 HydrophobicContact CE3-CB 3.84Å; W517-L540 HydrophobicContact CE3-CD1 4.23Å; W517-L540 HydrophobicContact CE3-CG 4.43Å; W517-L540 HydrophobicContact CG-CD1 3.69Å; W517-L540 HydrophobicContact CZ3-CB 4.02Å; I521-L540 HydrophobicContact CD1-CD2 3.9Å; L536-L540 WeakPolarHBondContact O-CB 3.32Å; L536-L540 PolarHBondContact O-N 2.92Å; Y537-L540 PolarHBondContact O-N 2.71Å; L540-Q542 PolarHBondContact O-N 2.93Å; L540-R543 CarbonylContact O-C 3.56Å; L540-R543 WeakPolarHBondContact O-CA 3.23Å; L540-R543 PolarHBondContact O-N 2.89Å; L540-T544 WeakPolarHBondContact CD1-OG1 3.41Å; L540-T544 PolarHBondContact O-N 2.86Å; L540-T544 PolarHBondContact O-OG1 3.16Å; L540-V549 HydrophobicContact CD2-CG1 3.6Å; L540-V549 HydrophobicContact CD2-CG2 4.19Å; L540-V549 HydrophobicContact CG-CG1 3.84Å; L540-V549 HydrophobicContact CG-CG2 4.38Å
541	L	74.9	Confident	76.8	Confident	20 Å²	20	59.2 Å²	59.2	11%	0.105	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-27.1	177.4	-70.8	169	0	0	0	113.2	Y537 R543 V549 W550 Y553	Y537-L541 WeakPolarHBondContact O-CB 3.49Å; Y537-L541 VanDerWaalsContact O-CG 3.29Å; Y537-L541 WeakPolarHBondContact O-CG 3.37Å; Y537-L541 PolarHBondContact O-N 3.17Å; L541-R543 VanDerWaalsContact C-N 3.34Å; L541-V549 HydrophobicContact CD2-CB 3.96Å; L541-V549 HydrophobicContact CD2-CG1 3.52Å; L541-V549 HydrophobicContact CG-CG1 3.93Å; L541-W550 HydrophobicContact CD1-CD2 4.11Å; L541-W550 HydrophobicContact CD1-CE3 3.86Å; L541-W550 HydrophobicContact CD1-CH2 3.84Å; L541-W550 HydrophobicContact CD1-CZ2 4.07Å; L541-W550 HydrophobicContact CD1-CZ3 3.73Å; L541-W550 HydrophobicContact CD2-CD2 3.71Å; L541-W550 HydrophobicContact CD2-CE3 4.31Å; L541-W550 HydrophobicContact CD2-CG 3.99Å; L541-W550 HydrophobicContact CD2-CZ2 4.02Å; L541-W550 HydrophobicContact CG-CZ2 4.5Å; L541-Y553 HydrophobicContact CD1-CD1 4.05Å; L541-Y553 HydrophobicContact CD1-CE1 4.47Å
542	Q	75.3	Confident	76.9	Confident	161 Å²	161	56.1 Å²	56.1	75%	0.752	26%	0.26	S	S	*	.	H	α-helix	trans	-71.8	-23.1	169.9	-74.2	170.5	-4.2	0	0	113.7	K538 R539 L540	K538-Q542 VanDerWaalsContact O-CG 3.3Å; K538-Q542 WeakPolarHBondContact O-CG 3.41Å; K538-Q542 PolarHBondContact O-N 2.85Å; K538-Q542 VanDerWaalsContact O-N 3.12Å; R539-Q542 PolarHBondContact O-N 3.44Å; L540-Q542 PolarHBondContact O-N 2.93Å
543	R	71.3	Confident	76.9	Confident	145 Å²	145	53.7 Å²	53.7	55%	0.547	25%	0.245	S	C	.	.	H	α-helix	trans	-93.6	-36.6	175.7	-99.3	-178.2	168.2	173.9	-2.1	112.9	I505 R539 L540 L541	I505-R543 PolarHBondContact O-NH1 2.83Å; I505-R543 PolarHBondContact O-NH2 3.25Å; R539-R543 PolarHBondContact O-N 3.05Å; L540-R543 CarbonylContact O-C 3.56Å; L540-R543 WeakPolarHBondContact O-CA 3.23Å; L540-R543 PolarHBondContact O-N 2.89Å; L541-R543 VanDerWaalsContact C-N 3.34Å
544	T	68.9	Low	76.8	Confident	44 Å²	44	53.7 Å²	53.7	27%	0.27	25%	0.245	S	C	.	.			trans	-143.1	116	-173.3	53.1	0	0	0	0	110.7	L540 H546	L540-T544 WeakPolarHBondContact CD1-OG1 3.41Å; L540-T544 PolarHBondContact O-N 2.86Å; L540-T544 PolarHBondContact O-OG1 3.16Å; T544-H546 VanDerWaalsContact C-N 3.32Å; T544-H546 PolarHBondContact O-N 3.45Å
545	Q	69.9	Low	76.7	Confident	91 Å²	91	58.8 Å²	58.8	43%	0.425	27%	0.268	S	S	.	.			trans	-89	8.7	-177.7	-60.3	-173	21.8	0	0	114.3	S579	Q545-S579 PolarHBondContact OE1-OG 3.5Å
546	H	72.4	Confident	76.6	Confident	46 Å²	46	55.7 Å²	55.7	21%	0.213	25%	0.251	C	S	.	.			trans	-65.6	138.4	-172.1	165.8	-107.7	0	0	0	113.5	T544 K548 V549 E588	T544-H546 VanDerWaalsContact C-N 3.32Å; T544-H546 PolarHBondContact O-N 3.45Å; H546-K548 VanDerWaalsContact C-N 3.3Å; H546-K548 VanDerWaalsContact CE1-CG 3.42Å; H546-K548 WeakPolarHBondContact CE1-CG 3.47Å; H546-K548 PolarHBondContact CE1-NZ 3.19Å; H546-K548 VanDerWaalsContact CE1-NZ 3.28Å; H546-K548 PolarHBondContact NE2-NZ 2.87Å; H546-K548 PolarHBondContact O-N 3.1Å; H546-K548 VanDerWaalsContact O-N 3.14Å; H546-V549 WeakPolarHBondContact O-CB 3.45Å; H546-V549 PolarHBondContact O-N 2.88Å; H546-E588 IonicContact CD2-OE1 3.24Å; H546-E588 PolarHBondContact CD2-OE1 2.86Å; H546-E588 IonicContact CG-OE1 3.44Å; H546-E588 IonicContact NE2-OE1 2.79Å; H546-E588 PolarHBondContact NE2-OE1 3.19Å
547	V	71.6	Confident	76.4	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-61.5	-30.4	-165.2	160.6	0	0	0	0	114.7	V549 W550 I551 M580 E588 L592	V547-V549 PolarHBondContact O-N 3.3Å; V547-W550 PolarHBondContact O-N 3.29Å; V547-W550 VanDerWaalsContact O-N 3.15Å; V547-I551 HydrophobicContact CG1-CD1 3.53Å; V547-I551 HydrophobicContact CG1-CG1 4.01Å; V547-I551 WeakPolarHBondContact O-CG1 3.22Å; V547-I551 PolarHBondContact O-N 3.18Å; V547-M580 HydrophobicContact CG2-CE 3.53Å; V547-M580 HydrophobicContact CG2-CG 3.77Å; V547-M580 HydrophobicContact CG2-SD 3.55Å; V547-M580 VanDerWaalsContact CG2-SD 3.55Å; V547-E588 HydrophobicContact CB-CB 4.21Å; V547-E588 HydrophobicContact CG2-CB 3.76Å; V547-L592 HydrophobicContact CG1-CB 3.87Å; V547-L592 HydrophobicContact CG1-CD1 4.43Å; V547-L592 HydrophobicContact CG2-CB 4.27Å
548	K	74.4	Confident	76.2	Confident	145 Å²	145	57 Å²	57	63%	0.63	26%	0.259	S	S	*	.	H	α-helix	trans	-62.7	-25.1	177.6	-53.9	-171.4	-167.2	85.1	0	112.3	H546 S552	H546-K548 VanDerWaalsContact C-N 3.3Å; H546-K548 VanDerWaalsContact CE1-CG 3.42Å; H546-K548 WeakPolarHBondContact CE1-CG 3.47Å; H546-K548 PolarHBondContact CE1-NZ 3.19Å; H546-K548 VanDerWaalsContact CE1-NZ 3.28Å; H546-K548 PolarHBondContact NE2-NZ 2.87Å; H546-K548 PolarHBondContact O-N 3.1Å; H546-K548 VanDerWaalsContact O-N 3.14Å; K548-S552 PolarHBondContact O-N 2.99Å; K548-S552 VanDerWaalsContact O-N 3.09Å; K548-S552 PolarHBondContact O-OG 3.03Å; K548-S552 VanDerWaalsContact O-OG 3.13Å
549	V	79.2	Confident	75.9	Confident	11 Å²	11	56 Å²	56	7%	0.067	26%	0.264	C	S	.	.	H	α-helix	trans	-71.4	-48.4	173.7	-175.7	0	0	0	0	110.6	Y537 L540 L541 H546 V547 I551 S552 Y553	Y537-V549 HydrophobicContact CD1-CG1 4.29Å; L540-V549 HydrophobicContact CD2-CG1 3.6Å; L540-V549 HydrophobicContact CD2-CG2 4.19Å; L540-V549 HydrophobicContact CG-CG1 3.84Å; L540-V549 HydrophobicContact CG-CG2 4.38Å; L541-V549 HydrophobicContact CD2-CB 3.96Å; L541-V549 HydrophobicContact CD2-CG1 3.52Å; L541-V549 HydrophobicContact CG-CG1 3.93Å; H546-V549 WeakPolarHBondContact O-CB 3.45Å; H546-V549 PolarHBondContact O-N 2.88Å; V547-V549 PolarHBondContact O-N 3.3Å; V549-I551 VanDerWaalsContact C-N 3.34Å; V549-I551 PolarHBondContact O-N 2.96Å; V549-S552 PolarHBondContact O-N 2.72Å; V549-S552 VanDerWaalsContact O-N 3.16Å; V549-S552 PolarHBondContact O-OG 2.99Å; V549-Y553 PolarHBondContact O-N 3.36Å
550	W	79.9	Confident	75.8	Confident	26 Å²	26	51.2 Å²	51.2	10%	0.098	25%	0.248	C	C	.	.	H	α-helix	trans	-58.7	-43.3	175.8	-73	110.9	0	0	0	112.4	L541 V547 S552 Y553 T554 D575 A576 L592	L541-W550 HydrophobicContact CD1-CD2 4.11Å; L541-W550 HydrophobicContact CD1-CE3 3.86Å; L541-W550 HydrophobicContact CD1-CH2 3.84Å; L541-W550 HydrophobicContact CD1-CZ2 4.07Å; L541-W550 HydrophobicContact CD1-CZ3 3.73Å; L541-W550 HydrophobicContact CD2-CD2 3.71Å; L541-W550 HydrophobicContact CD2-CE3 4.31Å; L541-W550 HydrophobicContact CD2-CG 3.99Å; L541-W550 HydrophobicContact CD2-CZ2 4.02Å; L541-W550 HydrophobicContact CG-CZ2 4.5Å; V547-W550 PolarHBondContact O-N 3.29Å; V547-W550 VanDerWaalsContact O-N 3.15Å; W550-S552 VanDerWaalsContact C-N 3.32Å; W550-S552 PolarHBondContact O-N 3.49Å; W550-Y553 HydrophobicContact CE3-CD1 4.39Å; W550-Y553 HydrophobicContact CZ3-CD1 4.45Å; W550-Y553 PolarHBondContact O-N 2.97Å; W550-T554 WeakPolarHBondContact O-CG2 3.43Å; W550-T554 PolarHBondContact O-N 2.77Å; W550-T554 PolarHBondContact O-OG1 3.25Å; W550-D575 HydrophobicContact CH2-CB 4.18Å; W550-D575 HydrophobicContact CZ3-CB 4.31Å; W550-A576 HydrophobicContact CB-CB 3.76Å; W550-A576 HydrophobicContact CD2-CB 3.39Å; W550-A576 HydrophobicContact CE3-CB 3.58Å; W550-A576 HydrophobicContact CG-CB 3.5Å; W550-A576 HydrophobicContact CZ3-CB 4.25Å; W550-L592 HydrophobicContact CB-CD1 4.25Å
551	I	78.3	Confident	75	Confident	29 Å²	29	57.5 Å²	57.5	15%	0.149	28%	0.281	C	S	.	.	H	α-helix	trans	-67.9	-28.7	177.8	-64.6	176.7	0	0	0	112.5	V547 V549 T554 K555 L592	V547-I551 HydrophobicContact CG1-CD1 3.53Å; V547-I551 HydrophobicContact CG1-CG1 4.01Å; V547-I551 WeakPolarHBondContact O-CG1 3.22Å; V547-I551 PolarHBondContact O-N 3.18Å; V549-I551 VanDerWaalsContact C-N 3.34Å; V549-I551 PolarHBondContact O-N 2.96Å; I551-T554 PolarHBondContact O-OG1 2.87Å; I551-T554 VanDerWaalsContact O-OG1 3.07Å; I551-K555 HydrophobicContact CG2-CD 4.37Å; I551-K555 WeakPolarHBondContact O-CB 3.43Å; I551-K555 WeakPolarHBondContact O-CD 3.27Å; I551-K555 VanDerWaalsContact O-CG 3.22Å; I551-K555 WeakPolarHBondContact O-CG 3.46Å; I551-K555 PolarHBondContact O-N 3.33Å; I551-L592 HydrophobicContact CG1-CD1 4.1Å
552	S	78.4	Confident	74.7	Confident	45 Å²	45	57.9 Å²	57.9	32%	0.315	29%	0.29	S	S	.	.	H	α-helix	trans	-78.5	-35.3	172.6	59.5	0	0	0	0	112.1	Y537 K548 V549 W550 K555 F556	Y537-S552 PolarHBondContact OH-O 3.26Å; K548-S552 PolarHBondContact O-N 2.99Å; K548-S552 VanDerWaalsContact O-N 3.09Å; K548-S552 PolarHBondContact O-OG 3.03Å; K548-S552 VanDerWaalsContact O-OG 3.13Å; V549-S552 PolarHBondContact O-N 2.72Å; V549-S552 VanDerWaalsContact O-N 3.16Å; V549-S552 PolarHBondContact O-OG 2.99Å; W550-S552 VanDerWaalsContact C-N 3.32Å; W550-S552 PolarHBondContact O-N 3.49Å; S552-K555 PolarHBondContact O-N 2.74Å; S552-F556 WeakPolarHBondContact O-CB 3.47Å; S552-F556 PolarHBondContact O-N 3.41Å
553	Y	80.2	Confident	74.1	Confident	21 Å²	21	56.7 Å²	56.7	8%	0.082	30%	0.296	C	S	.	.	H	α-helix	trans	-66.5	-38.6	174.9	-174.3	-144.9	0	0	0	112.6	R534 Y537 L541 V549 W550 F556 E557 T572	R534-Y553 HydrophobicContact CG-CE2 4.47Å; Y537-Y553 AromaticContact CD1-CD2 3.98Å; Y537-Y553 HydrophobicContact CD1-CD2 3.98Å; Y537-Y553 AromaticContact CD1-CG 3.97Å; Y537-Y553 HydrophobicContact CD1-CG 3.97Å; Y537-Y553 AromaticContact CD2-CD2 3.39Å; Y537-Y553 HydrophobicContact CD2-CD2 3.39Å; Y537-Y553 AromaticContact CD2-CE2 3.98Å; Y537-Y553 HydrophobicContact CD2-CE2 3.98Å; Y537-Y553 HydrophobicContact CD2-CG 4.22Å; Y537-Y553 HydrophobicContact CE1-CD2 4.47Å; Y537-Y553 HydrophobicContact CE1-CG 4.46Å; Y537-Y553 AromaticContact CE2-CD2 3.96Å; Y537-Y553 HydrophobicContact CE2-CD2 3.96Å; Y537-Y553 AromaticContact CG-CD2 3.4Å; Y537-Y553 HydrophobicContact CG-CD2 3.4Å; Y537-Y553 VanDerWaalsContact CG-CD2 3.4Å; Y537-Y553 HydrophobicContact CG-CE2 4.05Å; Y537-Y553 AromaticContact CG-CG 3.83Å; Y537-Y553 HydrophobicContact CG-CG 3.83Å; L541-Y553 HydrophobicContact CD1-CD1 4.05Å; L541-Y553 HydrophobicContact CD1-CE1 4.47Å; V549-Y553 PolarHBondContact O-N 3.36Å; W550-Y553 HydrophobicContact CE3-CD1 4.39Å; W550-Y553 HydrophobicContact CZ3-CD1 4.45Å; W550-Y553 PolarHBondContact O-N 2.97Å; Y553-F556 AromaticContact CD2-CD1 4Å; Y553-F556 HydrophobicContact CD2-CD1 4Å; Y553-F556 HydrophobicContact CE2-CD1 4.16Å; Y553-F556 WeakPolarHBondContact O-CB 3.16Å; Y553-F556 PolarHBondContact O-N 2.73Å; Y553-E557 HydrophobicContact CE2-CG 4.21Å; Y553-E557 PolarHBondContact O-N 3.27Å; Y553-T572 HydrophobicContact CD1-CG2 3.71Å; Y553-T572 HydrophobicContact CE1-CG2 3.34Å
554	T	76.8	Confident	74	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.7	-44	173.3	60.6	0	0	0	0	111.1	W550 I551 F556 E557 L558 T572 Y573	W550-T554 WeakPolarHBondContact O-CG2 3.43Å; W550-T554 PolarHBondContact O-N 2.77Å; W550-T554 PolarHBondContact O-OG1 3.25Å; I551-T554 PolarHBondContact O-OG1 2.87Å; I551-T554 VanDerWaalsContact O-OG1 3.07Å; T554-F556 VanDerWaalsContact C-N 3.29Å; T554-F556 PolarHBondContact O-N 3.3Å; T554-E557 PolarHBondContact O-N 3.19Å; T554-L558 VanDerWaalsContact O-CG 3.32Å; T554-L558 WeakPolarHBondContact O-CG 3.33Å; T554-L558 PolarHBondContact O-N 3.12Å; T554-L558 VanDerWaalsContact O-N 3.08Å; T554-T572 VanDerWaalsContact CG2-OG1 3.25Å; T554-T572 WeakPolarHBondContact CG2-OG1 3.06Å; T554-Y573 HydrophobicContact CG2-CD1 3.72Å; T554-Y573 HydrophobicContact CG2-CD2 3.86Å; T554-Y573 HydrophobicContact CG2-CE1 3.59Å; T554-Y573 HydrophobicContact CG2-CE2 3.74Å; T554-Y573 HydrophobicContact CG2-CG 3.83Å; T554-Y573 PolarHBondContact OG1-OH 2.99Å; T554-Y573 VanDerWaalsContact OG1-OH 3.06Å
555	K	79	Confident	74.1	Confident	136 Å²	136	55.4 Å²	55.4	59%	0.591	29%	0.293	S	S	*	.	H	α-helix	trans	-61	-36.3	173.8	-74.4	175.3	-179.1	-174.5	0	112.7	I551 S552 L558 S559	I551-K555 HydrophobicContact CG2-CD 4.37Å; I551-K555 WeakPolarHBondContact O-CB 3.43Å; I551-K555 WeakPolarHBondContact O-CD 3.27Å; I551-K555 VanDerWaalsContact O-CG 3.22Å; I551-K555 WeakPolarHBondContact O-CG 3.46Å; I551-K555 PolarHBondContact O-N 3.33Å; S552-K555 PolarHBondContact O-N 2.74Å; K555-L558 PolarHBondContact O-N 3.01Å; K555-S559 PolarHBondContact O-N 2.97Å; K555-S559 VanDerWaalsContact O-N 3.09Å
556	F	80.8	Confident	74.2	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-54.3	173.4	165	-104.2	0	0	0	111.9	I525 F530 T533 R534 Y537 S552 Y553 T554 L558 S559 V560	I525-F556 HydrophobicContact CD1-CD2 3.67Å; I525-F556 HydrophobicContact CD1-CE2 4.2Å; I525-F556 HydrophobicContact CG1-CD2 3.78Å; I525-F556 HydrophobicContact CG1-CE2 3.77Å; F530-F556 HydrophobicContact CB-CZ 4.09Å; F530-F556 AromaticContact CD1-CE2 3.93Å; F530-F556 HydrophobicContact CD1-CE2 3.93Å; F530-F556 HydrophobicContact CD1-CZ 4.06Å; T533-F556 HydrophobicContact CG2-CD2 4.09Å; T533-F556 HydrophobicContact CG2-CE1 4.23Å; T533-F556 HydrophobicContact CG2-CE2 3.75Å; T533-F556 HydrophobicContact CG2-CG 4.47Å; T533-F556 HydrophobicContact CG2-CZ 3.82Å; R534-F556 HydrophobicContact CG-CE1 4.12Å; Y537-F556 HydrophobicContact CD2-CD1 4.1Å; Y537-F556 HydrophobicContact CD2-CG 4.44Å; Y537-F556 HydrophobicContact CE2-CB 3.76Å; Y537-F556 AromaticContact CE2-CD1 3.87Å; Y537-F556 HydrophobicContact CE2-CD1 3.87Å; Y537-F556 HydrophobicContact CE2-CD2 4.5Å; Y537-F556 AromaticContact CE2-CG 3.76Å; Y537-F556 HydrophobicContact CE2-CG 3.76Å; S552-F556 WeakPolarHBondContact O-CB 3.47Å; S552-F556 PolarHBondContact O-N 3.41Å; Y553-F556 AromaticContact CD2-CD1 4Å; Y553-F556 HydrophobicContact CD2-CD1 4Å; Y553-F556 HydrophobicContact CE2-CD1 4.16Å; Y553-F556 WeakPolarHBondContact O-CB 3.16Å; Y553-F556 PolarHBondContact O-N 2.73Å; T554-F556 VanDerWaalsContact C-N 3.29Å; T554-F556 PolarHBondContact O-N 3.3Å; F556-L558 PolarHBondContact O-N 3.25Å; F556-L558 VanDerWaalsContact O-N 3.14Å; F556-S559 WeakPolarHBondContact O-CA 3.22Å; F556-S559 PolarHBondContact O-N 3.46Å; F556-S559 PolarHBondContact O-OG 2.65Å; F556-V560 HydrophobicContact CD2-CG2 4.3Å; F556-V560 HydrophobicContact CE1-CG2 4.26Å; F556-V560 HydrophobicContact CE2-CG2 3.7Å; F556-V560 HydrophobicContact CZ-CG2 3.69Å; F556-V560 PolarHBondContact O-N 2.89Å
557	E	76.2	Confident	74.4	Confident	5 Å²	5	56.7 Å²	56.7	2%	0.023	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-21.8	178.6	-72.7	-68.5	146.8	0	0	112.8	R534 Y553 T554 R565 R568	R534-E557 VanDerWaalsContact CG-OE1 3.28Å; R534-E557 WeakPolarHBondContact CG-OE1 3.45Å; R534-E557 IonicContact CZ-OE1 3.46Å; R534-E557 IonicContact CZ-OE2 2.93Å; R534-E557 IonicContact NE-OE1 2.76Å; R534-E557 PolarHBondContact NE-OE1 3.18Å; R534-E557 IonicContact NE-OE2 3.79Å; R534-E557 IonicContact NH2-OE1 2.76Å; R534-E557 PolarHBondContact NH2-OE1 3.24Å; R534-E557 IonicContact NH2-OE2 3.27Å; R534-E557 PolarHBondContact NH2-OE2 2.74Å; Y553-E557 HydrophobicContact CE2-CG 4.21Å; Y553-E557 PolarHBondContact O-N 3.27Å; T554-E557 PolarHBondContact O-N 3.19Å; E557-R565 WeakPolarHBondContact O-CB 3.33Å; E557-R568 HydrophobicContact CG-CB 4.49Å; E557-R568 WeakPolarHBondContact OE2-CD 3.36Å
558	L	75.6	Confident	74.6	Confident	39 Å²	39	60.7 Å²	60.7	20%	0.204	32%	0.315	C	S	.	.	H	α-helix	trans	-76	-28.6	169.6	-68	173.9	0	0	0	114.1	T554 K555 F556 L566 S569 F599	T554-L558 VanDerWaalsContact O-CG 3.32Å; T554-L558 WeakPolarHBondContact O-CG 3.33Å; T554-L558 PolarHBondContact O-N 3.12Å; T554-L558 VanDerWaalsContact O-N 3.08Å; K555-L558 PolarHBondContact O-N 3.01Å; F556-L558 PolarHBondContact O-N 3.25Å; F556-L558 VanDerWaalsContact O-N 3.14Å; L558-L566 HydrophobicContact CD2-CD2 4.01Å; L558-S569 VanDerWaalsContact CD2-OG 3.24Å; L558-S569 WeakPolarHBondContact CD2-OG 3.34Å; L558-S569 WeakPolarHBondContact CG-OG 3.45Å; L558-F599 HydrophobicContact CD1-CD2 3.68Å; L558-F599 HydrophobicContact CD1-CE2 3.84Å; L558-F599 HydrophobicContact CD2-CD2 4.12Å; L558-F599 HydrophobicContact CD2-CE2 3.38Å; L558-F599 HydrophobicContact CD2-CZ 4Å; L558-F599 HydrophobicContact CG-CE2 4.23Å
559	S	73.7	Confident	74.6	Confident	76 Å²	76	53.8 Å²	53.8	53%	0.531	29%	0.285	S	S	.	.	H	α-helix	trans	-78.3	-19.2	176	71.6	0	0	0	0	113.7	K555 F556 D561	K555-S559 PolarHBondContact O-N 2.97Å; K555-S559 VanDerWaalsContact O-N 3.09Å; F556-S559 WeakPolarHBondContact O-CA 3.22Å; F556-S559 PolarHBondContact O-N 3.46Å; F556-S559 PolarHBondContact O-OG 2.65Å; S559-D561 PolarHBondContact O-N 3.44Å
560	V	75.9	Confident	74.6	Confident	15 Å²	15	55.6 Å²	55.6	9%	0.091	29%	0.29	C	S	.	.	S	Bend	trans	-80	115.6	175.6	-178.4	0	0	0	0	109.8	F530 F556 G562	F530-V560 HydrophobicContact CB-CG2 4.42Å; F530-V560 HydrophobicContact CD1-CG1 4.42Å; F530-V560 HydrophobicContact CD1-CG2 3.62Å; F530-V560 HydrophobicContact CD2-CG1 4.29Å; F530-V560 HydrophobicContact CE1-CG2 4.07Å; F530-V560 HydrophobicContact CG-CG1 4.19Å; F530-V560 HydrophobicContact CG-CG2 4.05Å; F556-V560 HydrophobicContact CD2-CG2 4.3Å; F556-V560 HydrophobicContact CE1-CG2 4.26Å; F556-V560 HydrophobicContact CE2-CG2 3.7Å; F556-V560 HydrophobicContact CZ-CG2 3.69Å; F556-V560 PolarHBondContact O-N 2.89Å; V560-G562 PolarHBondContact O-N 3.43Å
561	D	62.5	Low	74.7	Confident	143 Å²	143	58.9 Å²	58.9	77%	0.765	31%	0.307	S	S	*	.			trans	-72.3	99.9	176	-96.9	-33.1	0	0	0	111.5	S559 R565	S559-D561 PolarHBondContact O-N 3.44Å; D561-R565 IonicContact OD1-CZ 3.9Å; D561-R565 IonicContact OD1-NH1 2.65Å; D561-R565 PolarHBondContact OD1-NH1 2.96Å
562	G	67.6	Low	74.8	Confident	29 Å²	29	58 Å²	58	30%	0.299	30%	0.303	S	S	.	.	S	Bend	trans	-156.6	155.3	171.6	0	0	0	0	0	112.1	V560 D564 R565	V560-G562 PolarHBondContact O-N 3.43Å; G562-D564 PolarHBondContact O-N 3.06Å; G562-R565 VanDerWaalsContact O-CB 3.32Å; G562-R565 WeakPolarHBondContact O-CB 3.49Å; G562-R565 VanDerWaalsContact O-CG 3.3Å; G562-R565 WeakPolarHBondContact O-CG 3.34Å; G562-R565 PolarHBondContact O-N 2.92Å; G562-R565 VanDerWaalsContact O-N 3.11Å
563	P	64.1	Low	74.9	Confident	135 Å²	135	56.2 Å²	56.2	88%	0.877	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.6	-176.3	24.8	-34.3	0	0	0	112.7	R565	P563-R565 VanDerWaalsContact C-N 3.28Å; P563-R565 PolarHBondContact O-N 3.25Å
564	D	68.8	Low	74.9	Confident	78 Å²	78	59.5 Å²	59.5	42%	0.417	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-7	180	-65.3	-9.2	0	0	0	114.1	G562 L566 Q567 R568	G562-D564 PolarHBondContact O-N 3.06Å; D564-L566 VanDerWaalsContact C-N 3.27Å; D564-L566 PolarHBondContact O-N 3.34Å; D564-L566 VanDerWaalsContact O-N 3.11Å; D564-Q567 WeakPolarHBondContact O-CA 3.44Å; D564-Q567 WeakPolarHBondContact O-CB 3.35Å; D564-Q567 PolarHBondContact O-N 3.43Å; D564-R568 HydrophobicContact CB-CG 4.1Å; D564-R568 PolarHBondContact O-N 2.92Å; D564-R568 IonicContact OD2-CZ 3.69Å; D564-R568 IonicContact OD2-NE 3.6Å; D564-R568 PolarHBondContact OD2-NE 3.15Å; D564-R568 IonicContact OD2-NH2 3.52Å; D564-R568 PolarHBondContact OD2-NH2 3.32Å
565	R	71.6	Confident	75.1	Confident	85 Å²	85	63.1 Å²	63.1	32%	0.321	33%	0.325	S	S	.	.	H	α-helix	trans	-53.8	-40.8	-166.6	71.8	-177	-173.5	-171.5	-2.6	113.8	E557 D561 G562 P563 S569	E557-R565 WeakPolarHBondContact O-CB 3.33Å; D561-R565 IonicContact OD1-CZ 3.9Å; D561-R565 IonicContact OD1-NH1 2.65Å; D561-R565 PolarHBondContact OD1-NH1 2.96Å; G562-R565 VanDerWaalsContact O-CB 3.32Å; G562-R565 WeakPolarHBondContact O-CB 3.49Å; G562-R565 VanDerWaalsContact O-CG 3.3Å; G562-R565 WeakPolarHBondContact O-CG 3.34Å; G562-R565 PolarHBondContact O-N 2.92Å; G562-R565 VanDerWaalsContact O-N 3.11Å; P563-R565 VanDerWaalsContact C-N 3.28Å; P563-R565 PolarHBondContact O-N 3.25Å; R565-S569 VanDerWaalsContact O-CB 3.26Å; R565-S569 WeakPolarHBondContact O-CB 3.49Å; R565-S569 PolarHBondContact O-N 3.33Å; R565-S569 PolarHBondContact O-OG 2.67Å
566	L	72	Confident	75.1	Confident	50 Å²	50	56.7 Å²	56.7	26%	0.262	30%	0.297	S	S	.	.	H	α-helix	trans	-72	-34.2	178	-60	179.3	0	0	0	112.1	L558 D564 R570 F599 F603	L558-L566 HydrophobicContact CD2-CD2 4.01Å; D564-L566 VanDerWaalsContact C-N 3.27Å; D564-L566 PolarHBondContact O-N 3.34Å; D564-L566 VanDerWaalsContact O-N 3.11Å; L566-R570 WeakPolarHBondContact O-CB 3.22Å; L566-R570 VanDerWaalsContact O-CG 3.25Å; L566-R570 WeakPolarHBondContact O-CG 3.42Å; L566-R570 PolarHBondContact O-N 3.04Å; L566-R570 VanDerWaalsContact O-N 3.1Å; L566-F599 HydrophobicContact CD2-CE2 3.89Å; L566-F599 HydrophobicContact CD2-CZ 3.83Å; L566-F603 HydrophobicContact CD2-CB 3.81Å; L566-F603 HydrophobicContact CD2-CD1 4.07Å; L566-F603 HydrophobicContact CD2-CG 4.01Å
567	Q	76.4	Confident	74.9	Confident	114 Å²	114	56.8 Å²	56.8	53%	0.533	30%	0.298	S	S	.	.	H	α-helix	trans	-69.5	-44.6	177.5	-167.3	72	0.2	0	0	110.8	D564 R570 Q571	D564-Q567 WeakPolarHBondContact O-CA 3.44Å; D564-Q567 WeakPolarHBondContact O-CB 3.35Å; D564-Q567 PolarHBondContact O-N 3.43Å; Q567-R570 PolarHBondContact O-N 3.14Å; Q567-Q571 WeakPolarHBondContact O-CG 3.39Å; Q567-Q571 PolarHBondContact O-N 3.07Å
568	R	75.8	Confident	75	Confident	87 Å²	87	61.1 Å²	61.1	33%	0.328	32%	0.316	S	S	.	.	H	α-helix	trans	-67.3	-43.4	177.6	-64.8	176	-169	-163.3	4.3	111.4	E557 D564 R570 Q571 T572	E557-R568 HydrophobicContact CG-CB 4.49Å; E557-R568 WeakPolarHBondContact OE2-CD 3.36Å; D564-R568 HydrophobicContact CB-CG 4.1Å; D564-R568 PolarHBondContact O-N 2.92Å; D564-R568 IonicContact OD2-CZ 3.69Å; D564-R568 IonicContact OD2-NE 3.6Å; D564-R568 PolarHBondContact OD2-NE 3.15Å; D564-R568 IonicContact OD2-NH2 3.52Å; D564-R568 PolarHBondContact OD2-NH2 3.32Å; R568-R570 VanDerWaalsContact C-N 3.32Å; R568-R570 PolarHBondContact O-N 3Å; R568-Q571 WeakPolarHBondContact O-CB 3.17Å; R568-Q571 PolarHBondContact O-N 2.92Å; R568-Q571 VanDerWaalsContact O-N 3.16Å; R568-T572 WeakPolarHBondContact O-CG2 3.32Å; R568-T572 PolarHBondContact O-N 2.89Å; R568-T572 PolarHBondContact O-OG1 2.91Å
569	S	74.1	Confident	74.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.7	-38.2	175.9	-58.2	0	0	0	0	112.6	L558 R565 T572 Y573	L558-S569 VanDerWaalsContact CD2-OG 3.24Å; L558-S569 WeakPolarHBondContact CD2-OG 3.34Å; L558-S569 WeakPolarHBondContact CG-OG 3.45Å; R565-S569 VanDerWaalsContact O-CB 3.26Å; R565-S569 WeakPolarHBondContact O-CB 3.49Å; R565-S569 PolarHBondContact O-N 3.33Å; R565-S569 PolarHBondContact O-OG 2.67Å; S569-T572 WeakPolarHBondContact CA-OG1 3.38Å; S569-T572 PolarHBondContact O-N 3.47Å; S569-T572 PolarHBondContact O-OG1 3.04Å; S569-Y573 WeakPolarHBondContact O-CD2 3.48Å; S569-Y573 PolarHBondContact O-N 3.1Å; S569-Y573 VanDerWaalsContact O-N 3.08Å
570	R	79.9	Confident	74.7	Confident	49 Å²	49	57 Å²	57	19%	0.185	29%	0.291	C	S	.	.	H	α-helix	trans	-63.2	-46	171.5	-76.8	171.7	173.4	126.4	10.3	112.1	L566 Q567 R568 T572 Y573 E574 F599 E600 F603	L566-R570 WeakPolarHBondContact O-CB 3.22Å; L566-R570 VanDerWaalsContact O-CG 3.25Å; L566-R570 WeakPolarHBondContact O-CG 3.42Å; L566-R570 PolarHBondContact O-N 3.04Å; L566-R570 VanDerWaalsContact O-N 3.1Å; Q567-R570 PolarHBondContact O-N 3.14Å; R568-R570 VanDerWaalsContact C-N 3.32Å; R568-R570 PolarHBondContact O-N 3Å; R570-T572 VanDerWaalsContact C-N 3.32Å; R570-T572 PolarHBondContact O-N 3.01Å; R570-Y573 PolarHBondContact O-N 3.07Å; R570-E574 WeakPolarHBondContact O-CG 3.2Å; R570-E574 PolarHBondContact O-N 3.1Å; R570-F599 HydrophobicContact CG-CE1 4.01Å; R570-E600 WeakPolarHBondContact CG-OE1 3.45Å; R570-E600 IonicContact CZ-OE1 3.24Å; R570-E600 IonicContact CZ-OE2 3.25Å; R570-E600 IonicContact NE-OE1 2.92Å; R570-E600 PolarHBondContact NE-OE1 2.86Å; R570-E600 IonicContact NE-OE2 2.7Å; R570-E600 IonicContact NH2-OE1 3.78Å; R570-E600 PolarHBondContact NH2-OE1 2.8Å; R570-E600 IonicContact NH2-OE2 2.95Å; R570-E600 PolarHBondContact NH2-OE2 3.44Å; R570-F603 PolarHBondContact NH2-O 2.98Å
571	Q	80.9	Confident	74.4	Confident	94 Å²	94	62.2 Å²	62.2	44%	0.439	31%	0.309	S	S	.	.	H	α-helix	trans	-60.1	-40.8	176.6	-72.3	167.6	-14.2	0	0	111.9	Q567 R568 E574 D575	Q567-Q571 WeakPolarHBondContact O-CG 3.39Å; Q567-Q571 PolarHBondContact O-N 3.07Å; R568-Q571 WeakPolarHBondContact O-CB 3.17Å; R568-Q571 PolarHBondContact O-N 2.92Å; R568-Q571 VanDerWaalsContact O-N 3.16Å; Q571-E574 PolarHBondContact O-N 2.67Å; Q571-D575 WeakPolarHBondContact O-CB 3.46Å; Q571-D575 PolarHBondContact O-N 3.13Å
572	T	81.1	Confident	74.5	Confident	11 Å²	11	59.9 Å²	59.9	7%	0.067	30%	0.304	C	S	.	.	H	α-helix	trans	-69.3	-33.5	177.2	54.7	0	0	0	0	112.9	Y553 T554 R568 S569 R570 A576	Y553-T572 HydrophobicContact CD1-CG2 3.71Å; Y553-T572 HydrophobicContact CE1-CG2 3.34Å; T554-T572 VanDerWaalsContact CG2-OG1 3.25Å; T554-T572 WeakPolarHBondContact CG2-OG1 3.06Å; R568-T572 WeakPolarHBondContact O-CG2 3.32Å; R568-T572 PolarHBondContact O-N 2.89Å; R568-T572 PolarHBondContact O-OG1 2.91Å; S569-T572 WeakPolarHBondContact CA-OG1 3.38Å; S569-T572 PolarHBondContact O-N 3.47Å; S569-T572 PolarHBondContact O-OG1 3.04Å; R570-T572 VanDerWaalsContact C-N 3.32Å; R570-T572 PolarHBondContact O-N 3.01Å; T572-A576 WeakPolarHBondContact O-CB 3.44Å; T572-A576 PolarHBondContact O-N 2.94Å
573	Y	80.5	Confident	74.2	Confident	7 Å²	7	60.6 Å²	60.6	3%	0.027	30%	0.304	C	S	.	.	H	α-helix	trans	-68.3	-39.8	168.9	-77.7	-61.5	0	0	0	113.2	T554 S569 R570 N577 L592 S595 W596 F599	T554-Y573 HydrophobicContact CG2-CD1 3.72Å; T554-Y573 HydrophobicContact CG2-CD2 3.86Å; T554-Y573 HydrophobicContact CG2-CE1 3.59Å; T554-Y573 HydrophobicContact CG2-CE2 3.74Å; T554-Y573 HydrophobicContact CG2-CG 3.83Å; T554-Y573 PolarHBondContact OG1-OH 2.99Å; T554-Y573 VanDerWaalsContact OG1-OH 3.06Å; S569-Y573 WeakPolarHBondContact O-CD2 3.48Å; S569-Y573 PolarHBondContact O-N 3.1Å; S569-Y573 VanDerWaalsContact O-N 3.08Å; R570-Y573 PolarHBondContact O-N 3.07Å; Y573-N577 WeakPolarHBondContact O-CB 3.17Å; Y573-N577 PolarHBondContact O-N 3.48Å; Y573-L592 HydrophobicContact CD1-CD1 4.04Å; Y573-L592 HydrophobicContact CE1-CD1 4.3Å; Y573-S595 WeakPolarHBondContact CE1-OG 3.44Å; Y573-W596 HydrophobicContact CD1-CB 3.75Å; Y573-W596 HydrophobicContact CD1-CG 4.02Å; Y573-W596 HydrophobicContact CD2-CB 4.39Å; Y573-W596 AromaticContact CD2-CD1 3.7Å; Y573-W596 HydrophobicContact CD2-CG 4.02Å; Y573-W596 HydrophobicContact CE1-CB 4.06Å; Y573-W596 HydrophobicContact CG-CB 3.95Å; Y573-W596 AromaticContact CG-CD1 3.83Å; Y573-W596 HydrophobicContact CG-CD2 4.07Å; Y573-W596 AromaticContact CG-CG 3.69Å; Y573-W596 HydrophobicContact CG-CG 3.69Å; Y573-F599 HydrophobicContact CD2-CD1 4.03Å; Y573-F599 HydrophobicContact CE2-CB 3.99Å; Y573-F599 AromaticContact CE2-CD1 3.71Å; Y573-F599 HydrophobicContact CE2-CD1 3.71Å; Y573-F599 HydrophobicContact CE2-CE1 4.44Å; Y573-F599 AromaticContact CE2-CG 3.87Å; Y573-F599 HydrophobicContact CE2-CG 3.87Å
574	E	79.9	Confident	74	Confident	91 Å²	91	63.3 Å²	63.3	43%	0.425	30%	0.304	S	S	.	.	H	α-helix	trans	-63.5	-44.4	175.3	-77.3	-176.4	-163.5	0	0	112	R570 Q571 N577 K578 W596	R570-E574 WeakPolarHBondContact O-CG 3.2Å; R570-E574 PolarHBondContact O-N 3.1Å; Q571-E574 PolarHBondContact O-N 2.67Å; E574-N577 PolarHBondContact O-N 3.39Å; E574-K578 WeakPolarHBondContact O-CE 3.17Å; E574-K578 VanDerWaalsContact O-CG 3.25Å; E574-K578 WeakPolarHBondContact O-CG 3.39Å; E574-K578 PolarHBondContact O-N 2.76Å; E574-K578 IonicContact OE2-NZ 3.1Å; E574-W596 HydrophobicContact CG-CH2 3.72Å; E574-W596 HydrophobicContact CG-CZ2 3.99Å
575	D	80.8	Confident	74	Confident	76 Å²	76	65.9 Å²	65.9	41%	0.406	31%	0.314	S	S	.	.	H	α-helix	trans	-71.9	-34	178.8	-71.2	-16.8	0	0	0	112.1	W550 Q571 K578 S579	W550-D575 HydrophobicContact CH2-CB 4.18Å; W550-D575 HydrophobicContact CZ3-CB 4.31Å; Q571-D575 WeakPolarHBondContact O-CB 3.46Å; Q571-D575 PolarHBondContact O-N 3.13Å; D575-K578 PolarHBondContact O-N 3.28Å; D575-K578 WeakPolarHBondContact OD1-CD 3.48Å; D575-K578 IonicContact OD1-NZ 2.84Å; D575-K578 PolarHBondContact OD1-NZ 2.89Å; D575-S579 PolarHBondContact O-N 3.17Å
576	A	78.3	Confident	73.9	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-59.5	-48.8	168.2	0	0	0	0	0	111.6	W550 T572 K578 S579 M580 L592	W550-A576 HydrophobicContact CB-CB 3.76Å; W550-A576 HydrophobicContact CD2-CB 3.39Å; W550-A576 HydrophobicContact CE3-CB 3.58Å; W550-A576 HydrophobicContact CG-CB 3.5Å; W550-A576 HydrophobicContact CZ3-CB 4.25Å; T572-A576 WeakPolarHBondContact O-CB 3.44Å; T572-A576 PolarHBondContact O-N 2.94Å; A576-K578 VanDerWaalsContact C-N 3.28Å; A576-K578 PolarHBondContact O-N 3.49Å; A576-S579 PolarHBondContact O-N 3.15Å; A576-M580 WeakPolarHBondContact O-CB 3.17Å; A576-M580 WeakPolarHBondContact O-CG 3.47Å; A576-M580 PolarHBondContact O-N 3.44Å; A576-L592 HydrophobicContact CB-CD1 3.88Å; A576-L592 HydrophobicContact CB-CD2 3.58Å; A576-L592 HydrophobicContact CB-CG 4.34Å
577	N	77.4	Confident	73.9	Confident	9 Å²	9	68.5 Å²	68.5	5%	0.048	33%	0.328	C	S	.	.	H	α-helix	trans	-64.2	-32.2	177.2	-175.1	34.9	0	0	0	111.9	Y573 E574 R581 R589 W596	Y573-N577 WeakPolarHBondContact O-CB 3.17Å; Y573-N577 PolarHBondContact O-N 3.48Å; E574-N577 PolarHBondContact O-N 3.39Å; N577-R581 WeakPolarHBondContact O-CG 3.12Å; N577-R581 PolarHBondContact O-N 3.34Å; N577-R589 PolarHBondContact OD1-NE 2.89Å; N577-W596 HydrophobicContact CB-CZ3 4.3Å
578	K	78.3	Confident	73.6	Confident	96 Å²	96	64.9 Å²	64.9	42%	0.417	31%	0.311	S	S	.	.	H	α-helix	trans	-65.6	-45.1	171.4	-68.8	161.4	-146.5	159.6	0	111.7	E574 D575 A576 R581	E574-K578 WeakPolarHBondContact O-CE 3.17Å; E574-K578 VanDerWaalsContact O-CG 3.25Å; E574-K578 WeakPolarHBondContact O-CG 3.39Å; E574-K578 PolarHBondContact O-N 2.76Å; E574-K578 IonicContact OE2-NZ 3.1Å; D575-K578 PolarHBondContact O-N 3.28Å; D575-K578 WeakPolarHBondContact OD1-CD 3.48Å; D575-K578 IonicContact OD1-NZ 2.84Å; D575-K578 PolarHBondContact OD1-NZ 2.89Å; A576-K578 VanDerWaalsContact C-N 3.28Å; A576-K578 PolarHBondContact O-N 3.49Å; K578-R581 PolarHBondContact O-N 3.35Å
579	S	73.3	Confident	73.5	Confident	27 Å²	27	61.2 Å²	61.2	19%	0.189	30%	0.297	C	S	.	.	H	α-helix	trans	-67.1	-40.6	179	-157.8	0	0	0	0	112.4	Q545 D575 A576 R581 S582	Q545-S579 PolarHBondContact OE1-OG 3.5Å; D575-S579 PolarHBondContact O-N 3.17Å; A576-S579 PolarHBondContact O-N 3.15Å; S579-R581 PolarHBondContact O-N 3.47Å; S579-S582 PolarHBondContact O-N 3.43Å; S579-S582 PolarHBondContact O-OG 3.12Å
580	M	70.4	Confident	73.7	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-72.9	-7.1	-179.4	-67	-52.7	-60.9	0	0	114.3	V547 A576 S582 C583 E588 R589 L592	V547-M580 HydrophobicContact CG2-CE 3.53Å; V547-M580 HydrophobicContact CG2-CG 3.77Å; V547-M580 HydrophobicContact CG2-SD 3.55Å; V547-M580 VanDerWaalsContact CG2-SD 3.55Å; A576-M580 WeakPolarHBondContact O-CB 3.17Å; A576-M580 WeakPolarHBondContact O-CG 3.47Å; A576-M580 PolarHBondContact O-N 3.44Å; M580-S582 PolarHBondContact O-N 3.16Å; M580-C583 HydrophobicContact CE-CB 3.62Å; M580-C583 PolarHBondContact O-N 2.82Å; M580-C583 HydrophobicContact SD-CB 4.35Å; M580-E588 HydrophobicContact CE-CB 3.8Å; M580-R589 HydrophobicContact CB-CB 4.3Å; M580-R589 HydrophobicContact CB-CG 4.18Å; M580-L592 HydrophobicContact CG-CD2 4.03Å
581	R	68.3	Low	73.6	Confident	124 Å²	124	65.7 Å²	65.7	47%	0.468	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-68.9	-19.8	170.5	-77.9	166.1	178.1	175.1	-1.4	113.3	N577 K578 S579 E646	N577-R581 WeakPolarHBondContact O-CG 3.12Å; N577-R581 PolarHBondContact O-N 3.34Å; K578-R581 PolarHBondContact O-N 3.35Å; S579-R581 PolarHBondContact O-N 3.47Å; R581-E646 IonicContact CZ-OE2 2.81Å; R581-E646 IonicContact NE-OE2 2.82Å; R581-E646 PolarHBondContact NE-OE2 3.28Å; R581-E646 IonicContact NH2-OE1 2.9Å; R581-E646 PolarHBondContact NH2-OE1 2.7Å; R581-E646 IonicContact NH2-OE2 2.73Å; R581-E646 PolarHBondContact NH2-OE2 3.14Å
582	S	64.3	Low	73.6	Confident	95 Å²	95	61.2 Å²	61.2	66%	0.664	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-97.6	-0.5	176.6	36.2	0	0	0	0	114.4	S579 M580	S579-S582 PolarHBondContact O-N 3.43Å; S579-S582 PolarHBondContact O-OG 3.12Å; M580-S582 PolarHBondContact O-N 3.16Å
583	C	62.7	Low	73.4	Confident	44 Å²	44	60.8 Å²	60.8	30%	0.297	30%	0.298	S	S	.	.			trans	-95.4	138.1	176.5	-60.8	0	0	0	0	110.2	M580 E585	M580-C583 HydrophobicContact CE-CB 3.62Å; M580-C583 PolarHBondContact O-N 2.82Å; M580-C583 HydrophobicContact SD-CB 4.35Å; C583-E585 VanDerWaalsContact C-N 3.35Å
584	E	60.3	Low	73.4	Confident	191 Å²	191	63.8 Å²	63.8	89%	0.893	31%	0.312	S	S	*	.	S	Bend	trans	-75.7	-23.4	-176.3	-58.5	-172.8	155.5	0	0	112.9	K586	E584-K586 PolarHBondContact O-N 3.22Å; E584-K586 VanDerWaalsContact O-N 3.17Å
585	E	68.4	Low	73.4	Confident	133 Å²	133	60.7 Å²	60.7	62%	0.621	30%	0.301	S	S	*	.			trans	-79.7	98.1	-178.7	-68	-163.8	-161.1	0	0	113	C583 E587 E588	C583-E585 VanDerWaalsContact C-N 3.35Å; E585-E587 VanDerWaalsContact C-N 3.3Å; E585-E587 PolarHBondContact O-N 2.9Å; E585-E588 HydrophobicContact CB-CG 4.13Å
586	K	69.4	Low	73.4	Confident	68 Å²	68	57.9 Å²	57.9	30%	0.296	29%	0.285	S	S	.	.	H	α-helix	trans	-65.9	-28.5	178.7	-58.2	-170.4	-169.5	171	0	114.1	E584 R589 L590 D641 Y642 F644	E584-K586 PolarHBondContact O-N 3.22Å; E584-K586 VanDerWaalsContact O-N 3.17Å; K586-R589 PolarHBondContact O-N 3.36Å; K586-L590 PolarHBondContact O-N 3.17Å; K586-D641 IonicContact NZ-OD1 2.72Å; K586-D641 PolarHBondContact NZ-OD1 3.4Å; K586-D641 IonicContact NZ-OD2 3.76Å; K586-D641 PolarHBondContact NZ-OD2 3.06Å; K586-Y642 WeakPolarHBondContact CD-O 3.43Å; K586-Y642 PolarHBondContact NZ-O 3Å; K586-F644 HydrophobicContact CB-CE2 3.83Å; K586-F644 HydrophobicContact CB-CZ 4.34Å; K586-F644 HydrophobicContact CD-CE2 4.33Å; K586-F644 HydrophobicContact CG-CE2 4.09Å; K586-F644 WeakPolarHBondContact O-CZ 3.36Å
587	E	70.9	Confident	73.5	Confident	122 Å²	122	61.4 Å²	61.4	57%	0.57	30%	0.298	S	S	*	.	H	α-helix	trans	-68.9	-36.7	-177.4	-56.8	-159.1	139.6	0	0	111.3	E585 R589 L590 M591 Y642	E585-E587 VanDerWaalsContact C-N 3.3Å; E585-E587 PolarHBondContact O-N 2.9Å; E587-R589 PolarHBondContact O-N 2.65Å; E587-L590 WeakPolarHBondContact O-CB 3.28Å; E587-L590 PolarHBondContact O-N 3.31Å; E587-M591 WeakPolarHBondContact O-CG 3.18Å; E587-M591 PolarHBondContact O-N 3.31Å; E587-Y642 HydrophobicContact CG-CD2 4.21Å; E587-Y642 HydrophobicContact CG-CE2 4.08Å; E587-Y642 WeakPolarHBondContact OE1-CE2 3.43Å
588	E	70.1	Confident	73.6	Confident	37 Å²	37	63 Å²	63	17%	0.173	31%	0.306	C	S	.	.	H	α-helix	trans	-59.5	-46.4	170.4	-65.2	-140.8	113.1	0	0	112.1	H546 V547 M580 E585 L590 M591 L592	H546-E588 IonicContact CD2-OE1 3.24Å; H546-E588 PolarHBondContact CD2-OE1 2.86Å; H546-E588 IonicContact CG-OE1 3.44Å; H546-E588 IonicContact NE2-OE1 2.79Å; H546-E588 PolarHBondContact NE2-OE1 3.19Å; V547-E588 HydrophobicContact CB-CB 4.21Å; V547-E588 HydrophobicContact CG2-CB 3.76Å; M580-E588 HydrophobicContact CE-CB 3.8Å; E585-E588 HydrophobicContact CB-CG 4.13Å; E588-L590 VanDerWaalsContact C-N 3.28Å; E588-L590 PolarHBondContact O-N 3.01Å; E588-M591 PolarHBondContact O-N 3.06Å; E588-M591 VanDerWaalsContact O-N 3.16Å; E588-L592 PolarHBondContact O-N 3.19Å
589	R	75.1	Confident	73.6	Confident	10 Å²	10	58.8 Å²	58.8	4%	0.038	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-31.4	178.9	-173.8	174.4	173.5	-154.4	-5.8	112	N577 M580 K586 E587 L593 F644 E646 D647	N577-R589 PolarHBondContact OD1-NE 2.89Å; M580-R589 HydrophobicContact CB-CB 4.3Å; M580-R589 HydrophobicContact CB-CG 4.18Å; K586-R589 PolarHBondContact O-N 3.36Å; E587-R589 PolarHBondContact O-N 2.65Å; R589-L593 WeakPolarHBondContact O-CG 3.46Å; R589-L593 PolarHBondContact O-N 2.76Å; R589-F644 HydrophobicContact CB-CE1 4.36Å; R589-F644 HydrophobicContact CB-CE2 4.18Å; R589-F644 HydrophobicContact CB-CZ 3.7Å; R589-F644 HydrophobicContact CG-CE1 3.96Å; R589-F644 HydrophobicContact CG-CE2 4.16Å; R589-F644 HydrophobicContact CG-CZ 3.71Å; R589-E646 IonicContact NH2-OE2 3.72Å; R589-D647 IonicContact CZ-OD1 3.64Å; R589-D647 IonicContact CZ-OD2 2.67Å; R589-D647 IonicContact NH1-OD1 2.71Å; R589-D647 PolarHBondContact NH1-OD1 3.07Å; R589-D647 IonicContact NH1-OD2 2.77Å; R589-D647 PolarHBondContact NH1-OD2 3Å; R589-D647 IonicContact NH2-OD1 3.45Å; R589-D647 PolarHBondContact NH2-OD1 3Å
590	L	78	Confident	73.9	Confident	28 Å²	28	57.8 Å²	57.8	15%	0.147	28%	0.28	C	S	.	.	H	α-helix	trans	-63.9	-51.4	168.9	170.5	60.6	0	0	0	111.2	K586 E587 E588 L592 L593 E594 P617 Y642	K586-L590 PolarHBondContact O-N 3.17Å; E587-L590 WeakPolarHBondContact O-CB 3.28Å; E587-L590 PolarHBondContact O-N 3.31Å; E588-L590 VanDerWaalsContact C-N 3.28Å; E588-L590 PolarHBondContact O-N 3.01Å; L590-L592 PolarHBondContact O-N 2.93Å; L590-L593 PolarHBondContact O-N 3.37Å; L590-E594 HydrophobicContact CD1-CG 3.8Å; L590-E594 HydrophobicContact CG-CG 4.34Å; L590-E594 WeakPolarHBondContact O-CG 3.42Å; L590-E594 PolarHBondContact O-N 2.89Å; L590-P617 HydrophobicContact CB-CG 4.44Å; L590-P617 HydrophobicContact CD1-CG 3.8Å; L590-Y642 HydrophobicContact CD2-CD1 3.99Å; L590-Y642 HydrophobicContact CD2-CE1 3.69Å; L590-Y642 HydrophobicContact CD2-CE2 4.33Å; L590-Y642 HydrophobicContact CD2-CG 4.42Å
591	M	77	Confident	74.2	Confident	116 Å²	116	63.1 Å²	63.1	57%	0.571	30%	0.301	S	S	*	.	H	α-helix	trans	-56.3	-38.9	179.2	-67.3	-69.6	-64.1	0	0	112.4	E587 E588 S595	E587-M591 WeakPolarHBondContact O-CG 3.18Å; E587-M591 PolarHBondContact O-N 3.31Å; E588-M591 PolarHBondContact O-N 3.06Å; E588-M591 VanDerWaalsContact O-N 3.16Å; M591-S595 PolarHBondContact O-N 2.89Å; M591-S595 VanDerWaalsContact O-N 3.08Å
592	L	80.3	Confident	74.6	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.6	-50.9	172.7	-179.3	67.3	0	0	0	111.7	V547 W550 I551 Y573 A576 M580 E588 L590 E594 S595 W596	V547-L592 HydrophobicContact CG1-CB 3.87Å; V547-L592 HydrophobicContact CG1-CD1 4.43Å; V547-L592 HydrophobicContact CG2-CB 4.27Å; W550-L592 HydrophobicContact CB-CD1 4.25Å; I551-L592 HydrophobicContact CG1-CD1 4.1Å; Y573-L592 HydrophobicContact CD1-CD1 4.04Å; Y573-L592 HydrophobicContact CE1-CD1 4.3Å; A576-L592 HydrophobicContact CB-CD1 3.88Å; A576-L592 HydrophobicContact CB-CD2 3.58Å; A576-L592 HydrophobicContact CB-CG 4.34Å; M580-L592 HydrophobicContact CG-CD2 4.03Å; E588-L592 PolarHBondContact O-N 3.19Å; L590-L592 PolarHBondContact O-N 2.93Å; L592-E594 VanDerWaalsContact C-N 3.34Å; L592-E594 PolarHBondContact O-N 3.32Å; L592-S595 PolarHBondContact O-N 3.37Å; L592-S595 PolarHBondContact O-OG 2.91Å; L592-W596 PolarHBondContact O-N 3.38Å
593	L	78.1	Confident	74.9	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-67.6	-31.5	-178.6	-68.9	171.9	0	0	0	113	R589 L590 W596 R597 L615 L616 F644	R589-L593 WeakPolarHBondContact O-CG 3.46Å; R589-L593 PolarHBondContact O-N 2.76Å; L590-L593 PolarHBondContact O-N 3.37Å; L593-W596 HydrophobicContact CD2-CE3 3.9Å; L593-W596 HydrophobicContact CD2-CZ3 4.31Å; L593-W596 PolarHBondContact O-N 3.3Å; L593-R597 VanDerWaalsContact O-CB 3.29Å; L593-R597 WeakPolarHBondContact O-CB 3.13Å; L593-R597 PolarHBondContact O-N 3.09Å; L593-L615 WeakPolarHBondContact CD1-O 3.39Å; L593-L615 HydrophobicContact CD2-CB 4.19Å; L593-L616 HydrophobicContact CB-CD2 4Å; L593-F644 HydrophobicContact CD1-CD1 3.85Å; L593-F644 HydrophobicContact CD1-CE1 3.67Å
594	E	80.5	Confident	75.4	Confident	70 Å²	70	62.2 Å²	62.2	33%	0.327	29%	0.294	S	S	.	.	H	α-helix	trans	-66.3	-42	170.8	-66.5	-149	108.6	0	0	111.7	L590 L592 W596 R597 D598	L590-E594 HydrophobicContact CD1-CG 3.8Å; L590-E594 HydrophobicContact CG-CG 4.34Å; L590-E594 WeakPolarHBondContact O-CG 3.42Å; L590-E594 PolarHBondContact O-N 2.89Å; L592-E594 VanDerWaalsContact C-N 3.34Å; L592-E594 PolarHBondContact O-N 3.32Å; E594-W596 VanDerWaalsContact C-N 3.32Å; E594-W596 PolarHBondContact O-N 3.48Å; E594-R597 WeakPolarHBondContact O-CB 3.29Å; E594-R597 PolarHBondContact O-N 3.21Å; E594-R597 IonicContact OE1-CZ 3.23Å; E594-R597 IonicContact OE1-NH1 3.93Å; E594-R597 PolarHBondContact OE1-NH1 3.09Å; E594-R597 IonicContact OE1-NH2 2.79Å; E594-R597 PolarHBondContact OE1-NH2 3Å; E594-D598 WeakPolarHBondContact O-CB 3.33Å; E594-D598 PolarHBondContact O-N 2.84Å
595	S	79	Confident	75.9	Confident	26 Å²	26	56.5 Å²	56.5	18%	0.182	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-35.1	174.8	74.5	0	0	0	0	112.9	Y573 M591 L592 F599	Y573-S595 WeakPolarHBondContact CE1-OG 3.44Å; M591-S595 PolarHBondContact O-N 2.89Å; M591-S595 VanDerWaalsContact O-N 3.08Å; L592-S595 PolarHBondContact O-N 3.37Å; L592-S595 PolarHBondContact O-OG 2.91Å; S595-F599 WeakPolarHBondContact O-CB 3.25Å; S595-F599 PolarHBondContact O-N 3.17Å
596	W	80.4	Confident	75.8	Confident	18 Å²	18	55.9 Å²	55.9	7%	0.068	28%	0.277	C	S	.	.	H	α-helix	trans	-71.2	-40.3	174.1	-170.5	8.2	0	0	0	112	Y573 E574 N577 L592 L593 E594 D598 F599 E600 V612 L615	Y573-W596 HydrophobicContact CD1-CB 3.75Å; Y573-W596 HydrophobicContact CD1-CG 4.02Å; Y573-W596 HydrophobicContact CD2-CB 4.39Å; Y573-W596 AromaticContact CD2-CD1 3.7Å; Y573-W596 HydrophobicContact CD2-CG 4.02Å; Y573-W596 HydrophobicContact CE1-CB 4.06Å; Y573-W596 HydrophobicContact CG-CB 3.95Å; Y573-W596 AromaticContact CG-CD1 3.83Å; Y573-W596 HydrophobicContact CG-CD2 4.07Å; Y573-W596 AromaticContact CG-CG 3.69Å; Y573-W596 HydrophobicContact CG-CG 3.69Å; E574-W596 HydrophobicContact CG-CH2 3.72Å; E574-W596 HydrophobicContact CG-CZ2 3.99Å; N577-W596 HydrophobicContact CB-CZ3 4.3Å; L592-W596 PolarHBondContact O-N 3.38Å; L593-W596 HydrophobicContact CD2-CE3 3.9Å; L593-W596 HydrophobicContact CD2-CZ3 4.31Å; L593-W596 PolarHBondContact O-N 3.3Å; E594-W596 VanDerWaalsContact C-N 3.32Å; E594-W596 PolarHBondContact O-N 3.48Å; W596-D598 VanDerWaalsContact C-N 3.28Å; W596-D598 PolarHBondContact O-N 3.11Å; W596-F599 PolarHBondContact O-N 2.9Å; W596-E600 PolarHBondContact O-N 3.41Å; W596-V612 HydrophobicContact CB-CG1 4.32Å; W596-V612 HydrophobicContact CD2-CG1 4.31Å; W596-V612 HydrophobicContact CD2-CG2 3.87Å; W596-V612 HydrophobicContact CG-CG1 4.17Å; W596-V612 HydrophobicContact CG-CG2 4.08Å; W596-V612 HydrophobicContact CZ2-CG2 4.11Å; W596-L615 HydrophobicContact CH2-CD1 4.19Å; W596-L615 HydrophobicContact CZ3-CD1 3.93Å
597	R	80.3	Confident	75.9	Confident	74 Å²	74	54.6 Å²	54.6	28%	0.279	28%	0.282	S	S	.	.	H	α-helix	trans	-58.6	-42	173.7	176.8	-159.7	68.8	-153.1	-7.9	111.2	L593 E594 R601 V612	L593-R597 VanDerWaalsContact O-CB 3.29Å; L593-R597 WeakPolarHBondContact O-CB 3.13Å; L593-R597 PolarHBondContact O-N 3.09Å; E594-R597 WeakPolarHBondContact O-CB 3.29Å; E594-R597 PolarHBondContact O-N 3.21Å; E594-R597 IonicContact OE1-CZ 3.23Å; E594-R597 IonicContact OE1-NH1 3.93Å; E594-R597 PolarHBondContact OE1-NH1 3.09Å; E594-R597 IonicContact OE1-NH2 2.79Å; E594-R597 PolarHBondContact OE1-NH2 3Å; R597-R601 WeakPolarHBondContact O-CB 3.29Å; R597-R601 PolarHBondContact O-N 3.43Å; R597-V612 HydrophobicContact CB-CG1 4.01Å
598	D	79.6	Confident	75.8	Confident	42 Å²	42	49.9 Å²	49.9	23%	0.225	26%	0.262	C	S	.	.	H	α-helix	trans	-73.8	-36.7	-178.9	-79.5	31.1	0	0	0	111.3	E594 W596 R601 E602	E594-D598 WeakPolarHBondContact O-CB 3.33Å; E594-D598 PolarHBondContact O-N 2.84Å; W596-D598 VanDerWaalsContact C-N 3.28Å; W596-D598 PolarHBondContact O-N 3.11Å; D598-R601 VanDerWaalsContact CG-CZ 3.42Å; D598-R601 VanDerWaalsContact CG-NH2 3.32Å; D598-R601 WeakPolarHBondContact O-CB 3.43Å; D598-R601 PolarHBondContact O-N 3.32Å; D598-R601 IonicContact OD1-CZ 2.72Å; D598-R601 IonicContact OD1-NH1 3.56Å; D598-R601 PolarHBondContact OD1-NH1 3.09Å; D598-R601 IonicContact OD2-CZ 2.81Å; D598-R601 IonicContact OD2-NH1 3.88Å; D598-R601 PolarHBondContact OD2-NH1 2.9Å; D598-R601 IonicContact OD2-NH2 2.98Å; D598-R601 PolarHBondContact OD2-NH2 3.08Å; D598-E602 PolarHBondContact O-N 2.83Å
599	F	79.8	Confident	75.9	Confident	8 Å²	8	52 Å²	52	4%	0.035	27%	0.268	C	S	.	.	H	α-helix	trans	-60.8	-47.3	167.8	169	-109.5	0	0	0	113	L558 L566 R570 Y573 S595 W596 R601 E602 F603	L558-F599 HydrophobicContact CD1-CD2 3.68Å; L558-F599 HydrophobicContact CD1-CE2 3.84Å; L558-F599 HydrophobicContact CD2-CD2 4.12Å; L558-F599 HydrophobicContact CD2-CE2 3.38Å; L558-F599 HydrophobicContact CD2-CZ 4Å; L558-F599 HydrophobicContact CG-CE2 4.23Å; L566-F599 HydrophobicContact CD2-CE2 3.89Å; L566-F599 HydrophobicContact CD2-CZ 3.83Å; R570-F599 HydrophobicContact CG-CE1 4.01Å; Y573-F599 HydrophobicContact CD2-CD1 4.03Å; Y573-F599 HydrophobicContact CE2-CB 3.99Å; Y573-F599 AromaticContact CE2-CD1 3.71Å; Y573-F599 HydrophobicContact CE2-CD1 3.71Å; Y573-F599 HydrophobicContact CE2-CE1 4.44Å; Y573-F599 AromaticContact CE2-CG 3.87Å; Y573-F599 HydrophobicContact CE2-CG 3.87Å; S595-F599 WeakPolarHBondContact O-CB 3.25Å; S595-F599 PolarHBondContact O-N 3.17Å; W596-F599 PolarHBondContact O-N 2.9Å; F599-R601 PolarHBondContact O-N 3.32Å; F599-E602 PolarHBondContact O-N 2.77Å; F599-E602 VanDerWaalsContact O-N 3.1Å; F599-F603 HydrophobicContact CD2-CB 4.36Å; F599-F603 AromaticContact CD2-CD2 3.48Å; F599-F603 HydrophobicContact CD2-CD2 3.48Å; F599-F603 VanDerWaalsContact CD2-CD2 3.48Å; F599-F603 HydrophobicContact CD2-CE2 4.18Å; F599-F603 HydrophobicContact CD2-CG 4.27Å; F599-F603 HydrophobicContact CE2-CB 3.75Å; F599-F603 AromaticContact CE2-CD2 3.46Å; F599-F603 HydrophobicContact CE2-CD2 3.46Å; F599-F603 VanDerWaalsContact CE2-CD2 3.46Å; F599-F603 HydrophobicContact CE2-CE2 4.31Å; F599-F603 AromaticContact CE2-CG 3.81Å; F599-F603 HydrophobicContact CE2-CG 3.81Å; F599-F603 HydrophobicContact CZ-CB 4.13Å; F599-F603 PolarHBondContact O-N 3.36Å
600	E	78.8	Confident	75.7	Confident	5 Å²	5	56.4 Å²	56.4	2%	0.023	29%	0.289	C	S	.	.	H	α-helix	trans	-74.1	-10.1	176.4	-65.2	-68.2	160.4	0	0	113.4	R570 W596 G604 T608 V612	R570-E600 WeakPolarHBondContact CG-OE1 3.45Å; R570-E600 IonicContact CZ-OE1 3.24Å; R570-E600 IonicContact CZ-OE2 3.25Å; R570-E600 IonicContact NE-OE1 2.92Å; R570-E600 PolarHBondContact NE-OE1 2.86Å; R570-E600 IonicContact NE-OE2 2.7Å; R570-E600 IonicContact NH2-OE1 3.78Å; R570-E600 PolarHBondContact NH2-OE1 2.8Å; R570-E600 IonicContact NH2-OE2 2.95Å; R570-E600 PolarHBondContact NH2-OE2 3.44Å; W596-E600 PolarHBondContact O-N 3.41Å; E600-G604 VanDerWaalsContact O-CA 3.24Å; E600-G604 WeakPolarHBondContact O-CA 3.31Å; E600-G604 PolarHBondContact O-N 2.75Å; E600-G604 WeakPolarHBondContact OE2-CA 3.32Å; E600-T608 VanDerWaalsContact OE2-CB 3.25Å; E600-T608 WeakPolarHBondContact OE2-CB 3.4Å; E600-T608 PolarHBondContact OE2-OG1 3.46Å; E600-V612 HydrophobicContact CG-CG2 3.88Å
601	R	77.8	Confident	75.5	Confident	114 Å²	114	62.8 Å²	62.8	43%	0.43	31%	0.311	S	S	.	.	H	α-helix	trans	-74.1	-31.7	166.2	170.1	-170.6	69.1	-144.3	-4.1	111.3	R597 D598 F599	R597-R601 WeakPolarHBondContact O-CB 3.29Å; R597-R601 PolarHBondContact O-N 3.43Å; D598-R601 VanDerWaalsContact CG-CZ 3.42Å; D598-R601 VanDerWaalsContact CG-NH2 3.32Å; D598-R601 WeakPolarHBondContact O-CB 3.43Å; D598-R601 PolarHBondContact O-N 3.32Å; D598-R601 IonicContact OD1-CZ 2.72Å; D598-R601 IonicContact OD1-NH1 3.56Å; D598-R601 PolarHBondContact OD1-NH1 3.09Å; D598-R601 IonicContact OD2-CZ 2.81Å; D598-R601 IonicContact OD2-NH1 3.88Å; D598-R601 PolarHBondContact OD2-NH1 2.9Å; D598-R601 IonicContact OD2-NH2 2.98Å; D598-R601 PolarHBondContact OD2-NH2 3.08Å; F599-R601 PolarHBondContact O-N 3.32Å
602	E	75.7	Confident	75.3	Confident	118 Å²	118	57.5 Å²	57.5	55%	0.551	29%	0.285	S	S	*	.	H	α-helix	trans	-98.2	-32.4	-173.6	-73.4	157.1	-149	0	0	113	D598 F599	D598-E602 PolarHBondContact O-N 2.83Å; F599-E602 PolarHBondContact O-N 2.77Å; F599-E602 VanDerWaalsContact O-N 3.1Å
603	F	70.9	Confident	74.9	Confident	93 Å²	93	64.5 Å²	64.5	41%	0.408	31%	0.312	S	S	.	.	H	α-helix	trans	-130.7	11.1	-175.5	-52.4	-86.4	0	0	0	114.2	L566 R570 F599	L566-F603 HydrophobicContact CD2-CB 3.81Å; L566-F603 HydrophobicContact CD2-CD1 4.07Å; L566-F603 HydrophobicContact CD2-CG 4.01Å; R570-F603 PolarHBondContact NH2-O 2.98Å; F599-F603 HydrophobicContact CD2-CB 4.36Å; F599-F603 AromaticContact CD2-CD2 3.48Å; F599-F603 HydrophobicContact CD2-CD2 3.48Å; F599-F603 VanDerWaalsContact CD2-CD2 3.48Å; F599-F603 HydrophobicContact CD2-CE2 4.18Å; F599-F603 HydrophobicContact CD2-CG 4.27Å; F599-F603 HydrophobicContact CE2-CB 3.75Å; F599-F603 AromaticContact CE2-CD2 3.46Å; F599-F603 HydrophobicContact CE2-CD2 3.46Å; F599-F603 VanDerWaalsContact CE2-CD2 3.46Å; F599-F603 HydrophobicContact CE2-CE2 4.31Å; F599-F603 AromaticContact CE2-CG 3.81Å; F599-F603 HydrophobicContact CE2-CG 3.81Å; F599-F603 HydrophobicContact CZ-CB 4.13Å; F599-F603 PolarHBondContact O-N 3.36Å
604	G	73.9	Confident	74.8	Confident	33 Å²	33	70.7 Å²	70.7	34%	0.34	34%	0.339	S	S	.	.			trans	-93	172.4	-178.8	0	0	0	0	0	114.8	E600	E600-G604 VanDerWaalsContact O-CA 3.24Å; E600-G604 WeakPolarHBondContact O-CA 3.31Å; E600-G604 PolarHBondContact O-N 2.75Å; E600-G604 WeakPolarHBondContact OE2-CA 3.32Å
605	S	70.1	Confident	74.4	Confident	71 Å²	71	69 Å²	69	50%	0.497	33%	0.332	S	S	.	.			trans	-110.2	162.6	161.3	65.7	0	0	0	0	109	G607 T608 R609	S605-G607 PolarHBondContact O-N 3.39Å; S605-G607 VanDerWaalsContact O-N 3.08Å; S605-T608 PolarHBondContact N-OG1 3.31Å; S605-T608 PolarHBondContact O-N 2.72Å; S605-T608 PolarHBondContact O-OG1 2.98Å; S605-R609 WeakPolarHBondContact O-CB 3.31Å; S605-R609 PolarHBondContact O-N 3.39Å
606	D	66.8	Low	74.1	Confident	120 Å²	120	69.8 Å²	69.8	64%	0.642	33%	0.334	S	S	*	.	H	α-helix	trans	-56.9	-33.6	-176.8	-63.2	-58.9	0	0	0	112.6	T608 R609 E610	D606-T608 PolarHBondContact O-N 3.04Å; D606-R609 PolarHBondContact O-N 2.87Å; D606-E610 WeakPolarHBondContact O-CB 3.31Å; D606-E610 PolarHBondContact O-N 3.13Å
607	G	70.4	Confident	73.8	Confident	40 Å²	40	69.9 Å²	69.9	41%	0.412	34%	0.337	S	S	.	.	H	α-helix	trans	-73.8	-12.5	174.7	0	0	0	0	0	116.1	S605 R611	S605-G607 PolarHBondContact O-N 3.39Å; S605-G607 VanDerWaalsContact O-N 3.08Å; G607-R611 PolarHBondContact O-NE 2.92Å; G607-R611 PolarHBondContact O-NH2 2.73Å; G607-R611 VanDerWaalsContact O-NH2 3.1Å
608	T	69.8	Low	73.4	Confident	24 Å²	24	72.9 Å²	72.9	15%	0.147	35%	0.354	C	S	.	.	H	α-helix	trans	-95.5	-39	165.6	59	0	0	0	0	110.9	E600 S605 D606 E610 R611 V612	E600-T608 VanDerWaalsContact OE2-CB 3.25Å; E600-T608 WeakPolarHBondContact OE2-CB 3.4Å; E600-T608 PolarHBondContact OE2-OG1 3.46Å; S605-T608 PolarHBondContact N-OG1 3.31Å; S605-T608 PolarHBondContact O-N 2.72Å; S605-T608 PolarHBondContact O-OG1 2.98Å; D606-T608 PolarHBondContact O-N 3.04Å; T608-E610 VanDerWaalsContact C-N 3.34Å; T608-E610 PolarHBondContact O-N 3.09Å; T608-R611 WeakPolarHBondContact O-CA 3.33Å; T608-R611 WeakPolarHBondContact O-CB 3.43Å; T608-R611 PolarHBondContact O-N 3.44Å; T608-V612 PolarHBondContact O-N 3.39Å
609	R	71.2	Confident	73.1	Confident	82 Å²	82	76.4 Å²	76.4	31%	0.309	37%	0.367	S	S	.	.	H	α-helix	trans	-60.2	-38.8	175.6	-164.4	176.6	-175.7	-167.9	4	112.8	S605 D606 R613	S605-R609 WeakPolarHBondContact O-CB 3.31Å; S605-R609 PolarHBondContact O-N 3.39Å; D606-R609 PolarHBondContact O-N 2.87Å; R609-R613 WeakPolarHBondContact O-CB 3.42Å; R609-R613 WeakPolarHBondContact O-CG 3.48Å; R609-R613 PolarHBondContact O-N 3.15Å
610	E	71.4	Confident	72.7	Confident	101 Å²	101	78.4 Å²	78.4	47%	0.472	38%	0.38	S	S	.	.	H	α-helix	trans	-63.1	-38.6	169.8	-86.8	-142.3	154.6	0	0	113.1	D606 T608 R613 K614	D606-E610 WeakPolarHBondContact O-CB 3.31Å; D606-E610 PolarHBondContact O-N 3.13Å; T608-E610 VanDerWaalsContact C-N 3.34Å; T608-E610 PolarHBondContact O-N 3.09Å; E610-R613 PolarHBondContact O-N 3.28Å; E610-K614 WeakPolarHBondContact O-CD 3.49Å; E610-K614 VanDerWaalsContact O-CG 3.28Å; E610-K614 WeakPolarHBondContact O-CG 3.25Å; E610-K614 PolarHBondContact O-N 3.01Å; E610-K614 IonicContact OE2-NZ 3.61Å; E610-K614 PolarHBondContact OE2-NZ 3.3Å
611	R	74.2	Confident	72.4	Confident	163 Å²	163	83.9 Å²	83.9	62%	0.615	40%	0.404	S	S	*	.	H	α-helix	trans	-66.1	-45	-179.7	-86.6	179.6	-85.5	177.6	-7.2	111	G607 T608 K614 L615	G607-R611 PolarHBondContact O-NE 2.92Å; G607-R611 PolarHBondContact O-NH2 2.73Å; G607-R611 VanDerWaalsContact O-NH2 3.1Å; T608-R611 WeakPolarHBondContact O-CA 3.33Å; T608-R611 WeakPolarHBondContact O-CB 3.43Å; T608-R611 PolarHBondContact O-N 3.44Å; R611-K614 PolarHBondContact O-N 2.99Å; R611-L615 PolarHBondContact O-N 3.23Å
612	V	72.4	Confident	72.2	Confident	4 Å²	4	82 Å²	82	2%	0.024	40%	0.399	C	S	.	.	H	α-helix	trans	-67.9	-37.6	175.5	-176.3	0	0	0	0	111.7	W596 R597 E600 T608 K614 L615 L616	W596-V612 HydrophobicContact CB-CG1 4.32Å; W596-V612 HydrophobicContact CD2-CG1 4.31Å; W596-V612 HydrophobicContact CD2-CG2 3.87Å; W596-V612 HydrophobicContact CG-CG1 4.17Å; W596-V612 HydrophobicContact CG-CG2 4.08Å; W596-V612 HydrophobicContact CZ2-CG2 4.11Å; R597-V612 HydrophobicContact CB-CG1 4.01Å; E600-V612 HydrophobicContact CG-CG2 3.88Å; T608-V612 PolarHBondContact O-N 3.39Å; V612-K614 VanDerWaalsContact C-N 3.26Å; V612-K614 PolarHBondContact O-N 3.48Å; V612-L615 PolarHBondContact O-N 3.09Å; V612-L616 PolarHBondContact O-N 2.69Å
613	R	72.6	Confident	72	Confident	147 Å²	147	83.9 Å²	83.9	56%	0.555	40%	0.401	S	S	*	.	H	α-helix	trans	-55.8	-38.8	171.5	-82.5	173.7	166.1	175.7	-5.2	112.9	R609 E610 L615 L616	R609-R613 WeakPolarHBondContact O-CB 3.42Å; R609-R613 WeakPolarHBondContact O-CG 3.48Å; R609-R613 PolarHBondContact O-N 3.15Å; E610-R613 PolarHBondContact O-N 3.28Å; R613-L615 PolarHBondContact O-N 3.21Å; R613-L616 PolarHBondContact O-N 2.76Å
614	K	76.1	Confident	72.1	Confident	131 Å²	131	85.5 Å²	85.5	57%	0.57	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-6.7	178.6	-70.2	163.9	-170.8	168.6	0	114.1	E610 R611 V612	E610-K614 WeakPolarHBondContact O-CD 3.49Å; E610-K614 VanDerWaalsContact O-CG 3.28Å; E610-K614 WeakPolarHBondContact O-CG 3.25Å; E610-K614 PolarHBondContact O-N 3.01Å; E610-K614 IonicContact OE2-NZ 3.61Å; E610-K614 PolarHBondContact OE2-NZ 3.3Å; R611-K614 PolarHBondContact O-N 2.99Å; V612-K614 VanDerWaalsContact C-N 3.26Å; V612-K614 PolarHBondContact O-N 3.48Å
615	L	72.2	Confident	71.7	Confident	36 Å²	36	88.7 Å²	88.7	19%	0.188	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-15.2	175.3	-66.9	173.1	0	0	0	113.6	L593 W596 R611 V612 R613 E646	L593-L615 WeakPolarHBondContact CD1-O 3.39Å; L593-L615 HydrophobicContact CD2-CB 4.19Å; W596-L615 HydrophobicContact CH2-CD1 4.19Å; W596-L615 HydrophobicContact CZ3-CD1 3.93Å; R611-L615 PolarHBondContact O-N 3.23Å; V612-L615 PolarHBondContact O-N 3.09Å; R613-L615 PolarHBondContact O-N 3.21Å; L615-E646 HydrophobicContact CD2-CG 4.23Å
616	L	72.1	Confident	71.5	Confident	41 Å²	41	88.9 Å²	88.9	22%	0.215	40%	0.404	C	S	.	.	S	Bend	trans	-64.8	142.3	179.7	-67.7	167.4	0	0	0	111.4	L593 V612 R613 P645	L593-L616 HydrophobicContact CB-CD2 4Å; V612-L616 PolarHBondContact O-N 2.69Å; R613-L616 PolarHBondContact O-N 2.76Å; L616-P645 VanDerWaalsContact O-CD 3.31Å; L616-P645 WeakPolarHBondContact O-CD 3.4Å; L616-P645 WeakPolarHBondContact O-CG 3.31Å
617	P	73.8	Confident	71.1	Confident	21 Å²	21	87.7 Å²	87.7	14%	0.136	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-77	148.5	-179.8	31.1	-33.9	0	0	0	112.9	L590 Y642 I643 F644	L590-P617 HydrophobicContact CB-CG 4.44Å; L590-P617 HydrophobicContact CD1-CG 3.8Å; P617-Y642 HydrophobicContact CG-CD1 4.25Å; P617-I643 CarbonylContact C-O 3.39Å; P617-I643 VanDerWaalsContact CA-O 3.23Å; P617-I643 WeakPolarHBondContact CA-O 3.42Å; P617-I643 WeakPolarHBondContact CB-O 3.41Å; P617-F644 HydrophobicContact CB-CD1 3.62Å; P617-F644 HydrophobicContact CB-CE1 3.72Å; P617-F644 HydrophobicContact CB-CG 4.14Å; P617-F644 HydrophobicContact CB-CZ 4.33Å; P617-F644 HydrophobicContact CG-CD1 3.9Å; P617-F644 HydrophobicContact CG-CE1 3.52Å; P617-F644 HydrophobicContact CG-CZ 4.18Å
618	E	71.3	Confident	70.6	Confident	137 Å²	137	87.7 Å²	87.7	64%	0.64	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	134.3	163.2	-66.4	-169.6	170.7	0	0	109.8	V620 I643	E618-V620 HydrophobicContact CB-CG2 4.33Å; E618-I643 PolarHBondContact N-O 3.43Å; E618-I643 PolarHBondContact O-N 3.28Å
619	K	74.1	Confident	70.1	Confident	116 Å²	116	96.6 Å²	96.6	50%	0.504	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	105.9	176.4	-175.5	172.4	-173	152.2	0	109.6	Y640 Y642	K619-Y640 HydrophobicContact CD-CD1 4.1Å; K619-Y640 HydrophobicContact CD-CG 4.34Å; K619-Y640 VanDerWaalsContact CE-CB 3.5Å; K619-Y640 VanDerWaalsContact CE-CD1 3.49Å; K619-Y640 HydrophobicContact CG-CD1 3.78Å; K619-Y640 HydrophobicContact CG-CG 4.22Å; K619-Y642 HydrophobicContact CB-CD1 4.05Å; K619-Y642 HydrophobicContact CB-CE1 3.86Å; K619-Y642 HydrophobicContact CD-CE1 3.72Å; K619-Y642 WeakPolarHBondContact CE-OH 3.49Å; K619-Y642 HydrophobicContact CG-CD1 4.18Å; K619-Y642 HydrophobicContact CG-CE1 3.67Å; K619-Y642 PolarHBondContact NZ-OH 2.88Å
620	V	71.4	Confident	69.2	Low	49 Å²	49	100.2 Å²	100.2	30%	0.297	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129	-172.5	-178.6	0	0	0	0	110.4	E618 K622 D641 I643	E618-V620 HydrophobicContact CB-CG2 4.33Å; V620-K622 PolarHBondContact O-N 2.87Å; V620-D641 PolarHBondContact N-O 3.47Å; V620-D641 PolarHBondContact O-N 3.1Å; V620-I643 HydrophobicContact CB-CD1 4.14Å; V620-I643 HydrophobicContact CB-CG1 4.48Å; V620-I643 HydrophobicContact CG2-CD1 3.87Å; V620-I643 HydrophobicContact CG2-CG1 4.19Å
621	K	72.4	Confident	68.7	Low	121 Å²	121	98.2 Å²	98.2	53%	0.526	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	126.4	169.2	-77.6	-170.3	162.1	-153.3	0	110.1	E638 Y640	K621-E638 IonicContact NZ-OE2 3.13Å; K621-E638 PolarHBondContact NZ-OE2 2.88Å; K621-Y640 HydrophobicContact CD-CE1 4.28Å; K621-Y640 VanDerWaalsContact CE-OH 3.31Å; K621-Y640 WeakPolarHBondContact CE-OH 3.3Å; K621-Y640 HydrophobicContact CG-CD1 3.84Å; K621-Y640 HydrophobicContact CG-CE1 3.45Å; K621-Y640 VanDerWaalsContact CG-CE1 3.45Å
622	K	73.6	Confident	68	Low	75 Å²	75	93.9 Å²	93.9	33%	0.326	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	153.4	169.9	-69.3	-170.8	-179	174.4	0	109.8	V620 E638 Y639 D641	V620-K622 PolarHBondContact O-N 2.87Å; K622-E638 WeakPolarHBondContact O-CA 3.17Å; K622-Y639 HydrophobicContact CB-CD1 4.25Å; K622-Y639 HydrophobicContact CB-CE1 3.65Å; K622-Y639 HydrophobicContact CB-CE2 4.34Å; K622-Y639 PolarHBondContact N-O 3.05Å; K622-Y639 WeakPolarHBondContact O-CD1 3.32Å; K622-Y639 PolarHBondContact O-N 2.81Å; K622-D641 HydrophobicContact CD-CB 3.68Å; K622-D641 WeakPolarHBondContact CE-OD2 3.49Å; K622-D641 HydrophobicContact CG-CB 4.12Å; K622-D641 IonicContact NZ-OD2 3.62Å; K622-D641 PolarHBondContact NZ-OD2 3.28Å
623	R	71.4	Confident	67.4	Low	157 Å²	157	98.8 Å²	98.8	59%	0.592	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	122.8	173.6	-76.6	179.6	170.4	-163.7	-5.1	109.3	W636 E637 E638	R623-W636 HydrophobicContact CB-CB 4.44Å; R623-W636 HydrophobicContact CB-CE3 3.9Å; R623-E637 CarbonylContact C-O 3.5Å; R623-E637 VanDerWaalsContact CA-O 3.3Å; R623-E637 WeakPolarHBondContact CA-O 3.22Å; R623-E638 HydrophobicContact CG-CG 3.6Å; R623-E638 IonicContact CZ-OE1 3.74Å; R623-E638 VanDerWaalsContact CZ-OE1 3.25Å; R623-E638 IonicContact NE-OE1 3.76Å; R623-E638 PolarHBondContact NE-OE1 3.27Å; R623-E638 IonicContact NH2-OE1 2.73Å; R623-E638 PolarHBondContact NH2-OE1 3.21Å
624	R	73.5	Confident	66.8	Low	126 Å²	126	94.5 Å²	94.5	48%	0.475	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	144.7	166.4	63.8	-177.2	-176.2	-169.1	-3.3	109.2	W636 E637 Y639	R624-W636 CarbonylContact O-C 3.38Å; R624-W636 WeakPolarHBondContact O-CA 3.16Å; R624-E637 HydrophobicContact CG-CB 4.07Å; R624-E637 IonicContact CZ-OE1 3.4Å; R624-E637 IonicContact CZ-OE2 2.66Å; R624-E637 PolarHBondContact N-O 2.94Å; R624-E637 IonicContact NE-OE1 2.72Å; R624-E637 IonicContact NE-OE2 3.33Å; R624-E637 PolarHBondContact NE-OE2 2.81Å; R624-E637 IonicContact NH2-OE1 3.93Å; R624-E637 PolarHBondContact NH2-OE1 3.33Å; R624-E637 IonicContact NH2-OE2 3.77Å; R624-E637 PolarHBondContact NH2-OE2 2.67Å; R624-E637 PolarHBondContact O-N 3.21Å; R624-Y639 HydrophobicContact CB-CD1 4.02Å; R624-Y639 HydrophobicContact CB-CE1 3.71Å; R624-Y639 HydrophobicContact CG-CD1 3.85Å; R624-Y639 HydrophobicContact CG-CE1 4.07Å
625	K	65.1	Low	66.5	Low	100 Å²	100	89.9 Å²	89.9	44%	0.435	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	126.4	175.6	-155.9	-173.1	-169.8	-159.9	0	107.7	D633 G635 W636	K625-D633 WeakPolarHBondContact CE-OD1 3.42Å; K625-D633 WeakPolarHBondContact CE-OD2 3.49Å; K625-D633 IonicContact NZ-OD1 3.15Å; K625-D633 PolarHBondContact NZ-OD1 3.47Å; K625-D633 IonicContact NZ-OD2 2.69Å; K625-D633 PolarHBondContact NZ-OD2 3.08Å; K625-G635 WeakPolarHBondContact CA-O 3.45Å; K625-W636 HydrophobicContact CB-CD2 4.4Å; K625-W636 HydrophobicContact CB-CE3 3.92Å; K625-W636 HydrophobicContact CB-CH2 4.16Å; K625-W636 HydrophobicContact CB-CZ3 3.79Å; K625-W636 HydrophobicContact CD-CH2 4.44Å; K625-W636 HydrophobicContact CD-CZ2 4.4Å; K625-W636 HydrophobicContact CG-CD2 4.31Å; K625-W636 HydrophobicContact CG-CE3 4.32Å; K625-W636 HydrophobicContact CG-CH2 4.3Å; K625-W636 HydrophobicContact CG-CZ2 4.28Å; K625-W636 HydrophobicContact CG-CZ3 4.32Å
626	L	65.1	Low	66.4	Low	75 Å²	75	95.7 Å²	95.7	39%	0.393	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	135.8	173.9	-82.5	167.9	0	0	0	109.6	A634 G635 E637	L626-A634 HydrophobicContact CB-CB 4.12Å; L626-A634 WeakPolarHBondContact O-CA 3.21Å; L626-A634 PolarHBondContact O-N 2.82Å; L626-G635 PolarHBondContact N-O 3.17Å; L626-E637 HydrophobicContact CD1-CB 3.97Å; L626-E637 HydrophobicContact CG-CB 4.29Å
627	T	59.1	Low	66.4	Low	95 Å²	95	97.1 Å²	97.1	58%	0.583	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.1	165.2	48.9	0	0	0	0	108.1	S632	T627-S632 WeakPolarHBondContact CA-O 3.41Å
628	A	59.3	Low	66.4	Low	40 Å²	40	100.2 Å²	100.2	33%	0.331	51%	0.513	S	S	.	.			trans	-65.1	164.7	166.3	0	0	0	0	0	110.6	D630 G631 S632 A634	A628-D630 PolarHBondContact O-N 3.43Å; A628-G631 PolarHBondContact O-N 3.4Å; A628-S632 PolarHBondContact N-O 3.12Å; A628-A634 HydrophobicContact CB-CB 4.31Å
629	E	59.1	Low	66.3	Low	211 Å²	211	97.7 Å²	97.7	99%	0.986	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.4	176.9	-63.5	-170.5	131.3	0	0	112.5	G631	E629-G631 PolarHBondContact O-N 3.28Å
630	D	52.7	Low	66.1	Low	158 Å²	158	98 Å²	98	85%	0.845	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	11.3	171.1	-69.1	-43.3	0	0	0	114.4	A628 S632	A628-D630 PolarHBondContact O-N 3.43Å; D630-S632 VanDerWaalsContact C-N 3.27Å; D630-S632 PolarHBondContact O-N 2.81Å
631	G	61.3	Low	65.9	Low	59 Å²	59	96.8 Å²	96.8	61%	0.608	49%	0.489	S	S	*	.	S	Bend	trans	70.2	13.2	172.8	0	0	0	0	0	116.1	A628 E629	A628-G631 PolarHBondContact O-N 3.4Å; E629-G631 PolarHBondContact O-N 3.28Å
632	S	58.6	Low	65.9	Low	72 Å²	72	92.7 Å²	92.7	50%	0.503	47%	0.47	S	S	.	.			trans	-96.4	155.6	176.5	57.1	0	0	0	0	112.8	T627 A628 D630 A634	T627-S632 WeakPolarHBondContact CA-O 3.41Å; A628-S632 PolarHBondContact N-O 3.12Å; D630-S632 VanDerWaalsContact C-N 3.27Å; D630-S632 PolarHBondContact O-N 2.81Å; S632-A634 PolarHBondContact O-N 3.21Å; S632-A634 VanDerWaalsContact O-N 3.1Å
633	D	61.1	Low	65.6	Low	108 Å²	108	91.3 Å²	91.3	58%	0.578	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	97.4	-172.1	-77.5	-25.1	0	0	0	112.8	K625 G635	K625-D633 WeakPolarHBondContact CE-OD1 3.42Å; K625-D633 WeakPolarHBondContact CE-OD2 3.49Å; K625-D633 IonicContact NZ-OD1 3.15Å; K625-D633 PolarHBondContact NZ-OD1 3.47Å; K625-D633 IonicContact NZ-OD2 2.69Å; K625-D633 PolarHBondContact NZ-OD2 3.08Å; D633-G635 VanDerWaalsContact C-N 3.26Å; D633-G635 PolarHBondContact O-N 2.93Å
634	A	60.6	Low	65.5	Low	56 Å²	56	84 Å²	84	46%	0.463	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	34.5	-177.7	0	0	0	0	0	113.6	L626 A628 S632	L626-A634 HydrophobicContact CB-CB 4.12Å; L626-A634 WeakPolarHBondContact O-CA 3.21Å; L626-A634 PolarHBondContact O-N 2.82Å; A628-A634 HydrophobicContact CB-CB 4.31Å; S632-A634 PolarHBondContact O-N 3.21Å; S632-A634 VanDerWaalsContact O-N 3.1Å
635	G	68.7	Low	65.1	Low	34 Å²	34	81 Å²	81	35%	0.351	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	81.8	-157.9	174.5	0	0	0	0	0	115.6	K625 L626 D633	K625-G635 WeakPolarHBondContact CA-O 3.45Å; L626-G635 PolarHBondContact N-O 3.17Å; D633-G635 VanDerWaalsContact C-N 3.26Å; D633-G635 PolarHBondContact O-N 2.93Å
636	W	70.5	Confident	64.9	Low	159 Å²	159	79.8 Å²	79.8	60%	0.602	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.7	-175.3	-63.9	93.8	0	0	0	111.1	R623 R624 K625	R623-W636 HydrophobicContact CB-CB 4.44Å; R623-W636 HydrophobicContact CB-CE3 3.9Å; R624-W636 CarbonylContact O-C 3.38Å; R624-W636 WeakPolarHBondContact O-CA 3.16Å; K625-W636 HydrophobicContact CB-CD2 4.4Å; K625-W636 HydrophobicContact CB-CE3 3.92Å; K625-W636 HydrophobicContact CB-CH2 4.16Å; K625-W636 HydrophobicContact CB-CZ3 3.79Å; K625-W636 HydrophobicContact CD-CH2 4.44Å; K625-W636 HydrophobicContact CD-CZ2 4.4Å; K625-W636 HydrophobicContact CG-CD2 4.31Å; K625-W636 HydrophobicContact CG-CE3 4.32Å; K625-W636 HydrophobicContact CG-CH2 4.3Å; K625-W636 HydrophobicContact CG-CZ2 4.28Å; K625-W636 HydrophobicContact CG-CZ3 4.32Å
637	E	71.1	Confident	64.6	Low	70 Å²	70	78.9 Å²	78.9	33%	0.327	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.1	175	-172.1	-173.3	175.2	0	0	110	R623 R624 L626	R623-E637 CarbonylContact C-O 3.5Å; R623-E637 VanDerWaalsContact CA-O 3.3Å; R623-E637 WeakPolarHBondContact CA-O 3.22Å; R624-E637 HydrophobicContact CG-CB 4.07Å; R624-E637 IonicContact CZ-OE1 3.4Å; R624-E637 IonicContact CZ-OE2 2.66Å; R624-E637 PolarHBondContact N-O 2.94Å; R624-E637 IonicContact NE-OE1 2.72Å; R624-E637 IonicContact NE-OE2 3.33Å; R624-E637 PolarHBondContact NE-OE2 2.81Å; R624-E637 IonicContact NH2-OE1 3.93Å; R624-E637 PolarHBondContact NH2-OE1 3.33Å; R624-E637 IonicContact NH2-OE2 3.77Å; R624-E637 PolarHBondContact NH2-OE2 2.67Å; R624-E637 PolarHBondContact O-N 3.21Å; L626-E637 HydrophobicContact CD1-CB 3.97Å; L626-E637 HydrophobicContact CG-CB 4.29Å
638	E	75.3	Confident	64.3	Low	86 Å²	86	75.8 Å²	75.8	40%	0.402	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	112.9	171.9	-79	-175.2	-159.9	0	0	110.6	K621 K622 R623	K621-E638 IonicContact NZ-OE2 3.13Å; K621-E638 PolarHBondContact NZ-OE2 2.88Å; K622-E638 WeakPolarHBondContact O-CA 3.17Å; R623-E638 HydrophobicContact CG-CG 3.6Å; R623-E638 IonicContact CZ-OE1 3.74Å; R623-E638 VanDerWaalsContact CZ-OE1 3.25Å; R623-E638 IonicContact NE-OE1 3.76Å; R623-E638 PolarHBondContact NE-OE1 3.27Å; R623-E638 IonicContact NH2-OE1 2.73Å; R623-E638 PolarHBondContact NH2-OE1 3.21Å
639	Y	69	Low	64	Low	85 Å²	85	77.8 Å²	77.8	33%	0.333	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	155.5	171	74.9	-76.3	0	0	0	110	K622 R624 D641	K622-Y639 HydrophobicContact CB-CD1 4.25Å; K622-Y639 HydrophobicContact CB-CE1 3.65Å; K622-Y639 HydrophobicContact CB-CE2 4.34Å; K622-Y639 PolarHBondContact N-O 3.05Å; K622-Y639 WeakPolarHBondContact O-CD1 3.32Å; K622-Y639 PolarHBondContact O-N 2.81Å; R624-Y639 HydrophobicContact CB-CD1 4.02Å; R624-Y639 HydrophobicContact CB-CE1 3.71Å; R624-Y639 HydrophobicContact CG-CD1 3.85Å; R624-Y639 HydrophobicContact CG-CE1 4.07Å; Y639-D641 HydrophobicContact CE2-CB 3.95Å
640	Y	68.1	Low	63.8	Low	123 Å²	123	74.7 Å²	74.7	48%	0.482	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130.3	172.5	-66.2	-82.7	0	0	0	109.3	K619 K621	K619-Y640 HydrophobicContact CD-CD1 4.1Å; K619-Y640 HydrophobicContact CD-CG 4.34Å; K619-Y640 VanDerWaalsContact CE-CB 3.5Å; K619-Y640 VanDerWaalsContact CE-CD1 3.49Å; K619-Y640 HydrophobicContact CG-CD1 3.78Å; K619-Y640 HydrophobicContact CG-CG 4.22Å; K621-Y640 HydrophobicContact CD-CE1 4.28Å; K621-Y640 VanDerWaalsContact CE-OH 3.31Å; K621-Y640 WeakPolarHBondContact CE-OH 3.3Å; K621-Y640 HydrophobicContact CG-CD1 3.84Å; K621-Y640 HydrophobicContact CG-CE1 3.45Å; K621-Y640 VanDerWaalsContact CG-CE1 3.45Å
641	D	68.8	Low	63.9	Low	23 Å²	23	73.1 Å²	73.1	12%	0.123	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138	169.9	-174.9	27.4	0	0	0	109.5	K586 V620 K622 Y639	K586-D641 IonicContact NZ-OD1 2.72Å; K586-D641 PolarHBondContact NZ-OD1 3.4Å; K586-D641 IonicContact NZ-OD2 3.76Å; K586-D641 PolarHBondContact NZ-OD2 3.06Å; V620-D641 PolarHBondContact N-O 3.47Å; V620-D641 PolarHBondContact O-N 3.1Å; K622-D641 HydrophobicContact CD-CB 3.68Å; K622-D641 WeakPolarHBondContact CE-OD2 3.49Å; K622-D641 HydrophobicContact CG-CB 4.12Å; K622-D641 IonicContact NZ-OD2 3.62Å; K622-D641 PolarHBondContact NZ-OD2 3.28Å; Y639-D641 HydrophobicContact CE2-CB 3.95Å
642	Y	72.7	Confident	63.3	Low	34 Å²	34	75.2 Å²	75.2	13%	0.133	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	132.7	176.1	-62	-78.5	0	0	0	109.5	K586 E587 L590 P617 K619	K586-Y642 WeakPolarHBondContact CD-O 3.43Å; K586-Y642 PolarHBondContact NZ-O 3Å; E587-Y642 HydrophobicContact CG-CD2 4.21Å; E587-Y642 HydrophobicContact CG-CE2 4.08Å; E587-Y642 WeakPolarHBondContact OE1-CE2 3.43Å; L590-Y642 HydrophobicContact CD2-CD1 3.99Å; L590-Y642 HydrophobicContact CD2-CE1 3.69Å; L590-Y642 HydrophobicContact CD2-CE2 4.33Å; L590-Y642 HydrophobicContact CD2-CG 4.42Å; P617-Y642 HydrophobicContact CG-CD1 4.25Å; K619-Y642 HydrophobicContact CB-CD1 4.05Å; K619-Y642 HydrophobicContact CB-CE1 3.86Å; K619-Y642 HydrophobicContact CD-CE1 3.72Å; K619-Y642 WeakPolarHBondContact CE-OH 3.49Å; K619-Y642 HydrophobicContact CG-CD1 4.18Å; K619-Y642 HydrophobicContact CG-CE1 3.67Å; K619-Y642 PolarHBondContact NZ-OH 2.88Å
643	I	66.7	Low	63.1	Low	46 Å²	46	78 Å²	78	24%	0.236	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	107.5	178.6	-54.1	-173.5	0	0	0	108.7	P617 E618 V620 A648	P617-I643 CarbonylContact C-O 3.39Å; P617-I643 VanDerWaalsContact CA-O 3.23Å; P617-I643 WeakPolarHBondContact CA-O 3.42Å; P617-I643 WeakPolarHBondContact CB-O 3.41Å; E618-I643 PolarHBondContact N-O 3.43Å; E618-I643 PolarHBondContact O-N 3.28Å; V620-I643 HydrophobicContact CB-CD1 4.14Å; V620-I643 HydrophobicContact CB-CG1 4.48Å; V620-I643 HydrophobicContact CG2-CD1 3.87Å; V620-I643 HydrophobicContact CG2-CG1 4.19Å; I643-A648 HydrophobicContact CG2-CB 4.15Å
644	F	68.9	Low	62.8	Low	3 Å²	3	75.9 Å²	75.9	1%	0.013	41%	0.405	C	S	.	.			trans	-70.9	136	173.4	-59.4	-77	0	0	0	110	K586 R589 L593 P617 E646 D647 A648	K586-F644 HydrophobicContact CB-CE2 3.83Å; K586-F644 HydrophobicContact CB-CZ 4.34Å; K586-F644 HydrophobicContact CD-CE2 4.33Å; K586-F644 HydrophobicContact CG-CE2 4.09Å; K586-F644 WeakPolarHBondContact O-CZ 3.36Å; R589-F644 HydrophobicContact CB-CE1 4.36Å; R589-F644 HydrophobicContact CB-CE2 4.18Å; R589-F644 HydrophobicContact CB-CZ 3.7Å; R589-F644 HydrophobicContact CG-CE1 3.96Å; R589-F644 HydrophobicContact CG-CE2 4.16Å; R589-F644 HydrophobicContact CG-CZ 3.71Å; L593-F644 HydrophobicContact CD1-CD1 3.85Å; L593-F644 HydrophobicContact CD1-CE1 3.67Å; P617-F644 HydrophobicContact CB-CD1 3.62Å; P617-F644 HydrophobicContact CB-CE1 3.72Å; P617-F644 HydrophobicContact CB-CG 4.14Å; P617-F644 HydrophobicContact CB-CZ 4.33Å; P617-F644 HydrophobicContact CG-CD1 3.9Å; P617-F644 HydrophobicContact CG-CE1 3.52Å; P617-F644 HydrophobicContact CG-CZ 4.18Å; F644-E646 PolarHBondContact O-N 3.46Å; F644-E646 VanDerWaalsContact O-N 3.16Å; F644-D647 HydrophobicContact CB-CB 4.34Å; F644-D647 WeakPolarHBondContact CD2-OD2 3.35Å; F644-D647 PolarHBondContact O-N 2.82Å; F644-D647 VanDerWaalsContact O-N 3.09Å; F644-A648 PolarHBondContact O-N 2.94Å
645	P	65.6	Low	62.4	Low	63 Å²	63	80.9 Å²	80.9	41%	0.409	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.9	-177.7	-28.7	36.8	0	0	0	114.7	L616	L616-P645 VanDerWaalsContact O-CD 3.31Å; L616-P645 WeakPolarHBondContact O-CD 3.4Å; L616-P645 WeakPolarHBondContact O-CG 3.31Å
646	E	60.2	Low	61.7	Low	75 Å²	75	85.7 Å²	85.7	35%	0.35	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-42.1	175.4	-61.7	-173.1	125.4	0	0	112.2	R581 R589 L615 F644 A648 A649	R581-E646 IonicContact CZ-OE2 2.81Å; R581-E646 IonicContact NE-OE2 2.82Å; R581-E646 PolarHBondContact NE-OE2 3.28Å; R581-E646 IonicContact NH2-OE1 2.9Å; R581-E646 PolarHBondContact NH2-OE1 2.7Å; R581-E646 IonicContact NH2-OE2 2.73Å; R581-E646 PolarHBondContact NH2-OE2 3.14Å; R589-E646 IonicContact NH2-OE2 3.72Å; L615-E646 HydrophobicContact CD2-CG 4.23Å; F644-E646 PolarHBondContact O-N 3.46Å; F644-E646 VanDerWaalsContact O-N 3.16Å; E646-A648 VanDerWaalsContact C-N 3.26Å; E646-A648 PolarHBondContact O-N 3.21Å; E646-A649 VanDerWaalsContact O-CB 3.24Å; E646-A649 WeakPolarHBondContact O-CB 3.44Å; E646-A649 PolarHBondContact O-N 3.12Å; E646-A649 VanDerWaalsContact O-N 3.09Å
647	D	59.6	Low	61.1	Low	57 Å²	57	83.5 Å²	83.5	31%	0.305	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-69.7	-28.4	-177.5	-56.7	2.1	0	0	0	111.1	R589 F644 A649 N650	R589-D647 IonicContact CZ-OD1 3.64Å; R589-D647 IonicContact CZ-OD2 2.67Å; R589-D647 IonicContact NH1-OD1 2.71Å; R589-D647 PolarHBondContact NH1-OD1 3.07Å; R589-D647 IonicContact NH1-OD2 2.77Å; R589-D647 PolarHBondContact NH1-OD2 3Å; R589-D647 IonicContact NH2-OD1 3.45Å; R589-D647 PolarHBondContact NH2-OD1 3Å; F644-D647 HydrophobicContact CB-CB 4.34Å; F644-D647 WeakPolarHBondContact CD2-OD2 3.35Å; F644-D647 PolarHBondContact O-N 2.82Å; F644-D647 VanDerWaalsContact O-N 3.09Å; D647-A649 PolarHBondContact O-N 2.99Å; D647-N650 PolarHBondContact O-N 2.7Å; D647-N650 VanDerWaalsContact O-N 3.09Å
648	A	53.2	Low	60.4	Low	29 Å²	29	82.3 Å²	82.3	24%	0.24	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-59.9	-22.9	172.2	0	0	0	0	0	113.3	I643 F644 E646 N650 Q651 L654	I643-A648 HydrophobicContact CG2-CB 4.15Å; F644-A648 PolarHBondContact O-N 2.94Å; E646-A648 VanDerWaalsContact C-N 3.26Å; E646-A648 PolarHBondContact O-N 3.21Å; A648-N650 PolarHBondContact O-N 2.83Å; A648-Q651 PolarHBondContact O-N 3.34Å; A648-L654 HydrophobicContact CB-CD1 4.31Å
649	A	52.6	Low	59.8	Low	83 Å²	83	83.6 Å²	83.6	69%	0.686	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-68.4	-22.7	175.5	0	0	0	0	0	113.2	E646 D647 Q651	E646-A649 VanDerWaalsContact O-CB 3.24Å; E646-A649 WeakPolarHBondContact O-CB 3.44Å; E646-A649 PolarHBondContact O-N 3.12Å; E646-A649 VanDerWaalsContact O-N 3.09Å; D647-A649 PolarHBondContact O-N 2.99Å; A649-Q651 VanDerWaalsContact C-N 3.31Å; A649-Q651 PolarHBondContact O-N 3.45Å
650	N	54.4	Low	59.2	Low	145 Å²	145	81.9 Å²	81.9	78%	0.775	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-82.9	-0.2	179.8	-72.8	-25.5	0	0	0	113.9	D647 A648	D647-N650 PolarHBondContact O-N 2.7Å; D647-N650 VanDerWaalsContact O-N 3.09Å; A648-N650 PolarHBondContact O-N 2.83Å
651	Q	53.8	Low	58.8	Low	126 Å²	126	83.5 Å²	83.5	59%	0.589	46%	0.455	S	S	*	.			trans	-113.7	105.2	171	-68.8	-162.5	-2.3	0	0	111.1	A648 A649 N653 L654	A648-Q651 PolarHBondContact O-N 3.34Å; A649-Q651 VanDerWaalsContact C-N 3.31Å; A649-Q651 PolarHBondContact O-N 3.45Å; Q651-N653 PolarHBondContact O-N 3.45Å; Q651-N653 VanDerWaalsContact O-N 3.12Å; Q651-L654 HydrophobicContact CB-CD1 4.27Å; Q651-L654 PolarHBondContact O-N 3.37Å; Q651-L654 VanDerWaalsContact O-N 3.16Å
652	P	49.5	Very low	58.4	Low	102 Å²	102	88 Å²	88	66%	0.662	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.5	-173.4	23.8	-33.8	0	0	0	113.4	L654 K655	P652-L654 PolarHBondContact O-N 2.81Å; P652-K655 PolarHBondContact O-N 3.04Å; P652-K655 VanDerWaalsContact O-N 3.17Å
653	N	55	Low	57.9	Low	131 Å²	131	93.9 Å²	93.9	70%	0.701	50%	0.499	S	S	*	.	H	α-helix	trans	-62.7	-24.8	-178.8	-59.8	-2.3	0	0	0	113	Q651 K655 L656 L657	Q651-N653 PolarHBondContact O-N 3.45Å; Q651-N653 VanDerWaalsContact O-N 3.12Å; N653-K655 VanDerWaalsContact C-N 3.34Å; N653-K655 PolarHBondContact O-N 2.79Å; N653-L656 PolarHBondContact O-N 3.45Å; N653-L657 PolarHBondContact O-N 3.02Å
654	L	54	Low	57.8	Low	63 Å²	63	98.8 Å²	98.8	33%	0.33	52%	0.519	S	S	.	.	H	α-helix	trans	-73.2	-21.6	178.4	-92.3	158.1	0	0	0	113.4	A648 Q651 P652 L656 L657 A658	A648-L654 HydrophobicContact CB-CD1 4.31Å; Q651-L654 HydrophobicContact CB-CD1 4.27Å; Q651-L654 PolarHBondContact O-N 3.37Å; Q651-L654 VanDerWaalsContact O-N 3.16Å; P652-L654 PolarHBondContact O-N 2.81Å; L654-L656 VanDerWaalsContact C-N 3.35Å; L654-L657 HydrophobicContact CD2-CB 4.43Å; L654-L657 HydrophobicContact CD2-CD2 4.06Å; L654-L657 PolarHBondContact O-N 3.36Å; L654-A658 VanDerWaalsContact O-CB 3.27Å; L654-A658 WeakPolarHBondContact O-CB 3.33Å; L654-A658 PolarHBondContact O-N 3.01Å
655	K	53	Low	57.6	Low	162 Å²	162	108.3 Å²	108.3	70%	0.704	56%	0.555	S	S	*	*	H	α-helix	trans	-65.9	-38.3	169.9	-85.6	-175.5	174.5	177.6	0	112	P652 N653 A658 M659	P652-K655 PolarHBondContact O-N 3.04Å; P652-K655 VanDerWaalsContact O-N 3.17Å; N653-K655 VanDerWaalsContact C-N 3.34Å; N653-K655 PolarHBondContact O-N 2.79Å; K655-A658 PolarHBondContact O-N 3.14Å; K655-M659 HydrophobicContact CB-CE 4.32Å; K655-M659 WeakPolarHBondContact O-CE 3.16Å; K655-M659 PolarHBondContact O-N 2.89Å
656	L	53.8	Low	57.3	Low	135 Å²	135	110.9 Å²	110.9	71%	0.707	56%	0.561	S	S	*	*	H	α-helix	trans	-65.9	-43.5	175.5	-153	83.8	0	0	0	110.6	N653 L654 M659 A660	N653-L656 PolarHBondContact O-N 3.45Å; L654-L656 VanDerWaalsContact C-N 3.35Å; L656-M659 PolarHBondContact O-N 3.02Å; L656-A660 WeakPolarHBondContact O-CB 3.29Å; L656-A660 PolarHBondContact O-N 2.9Å
657	L	56.6	Low	57.4	Low	113 Å²	113	110.6 Å²	110.6	59%	0.592	56%	0.56	S	S	*	*	H	α-helix	trans	-66.3	-37.6	177.1	-156.3	94.7	0	0	0	112.5	N653 L654 A660 K661	N653-L657 PolarHBondContact O-N 3.02Å; L654-L657 HydrophobicContact CD2-CB 4.43Å; L654-L657 HydrophobicContact CD2-CD2 4.06Å; L654-L657 PolarHBondContact O-N 3.36Å; L657-A660 PolarHBondContact O-N 2.82Å; L657-K661 WeakPolarHBondContact O-CB 3.28Å; L657-K661 PolarHBondContact O-N 3.28Å
658	A	56.8	Low	57.4	Low	44 Å²	44	110 Å²	110	36%	0.364	56%	0.563	S	S	.	*	H	α-helix	trans	-67.3	-41	175.5	0	0	0	0	0	111.8	L654 K655 K661 M662	L654-A658 VanDerWaalsContact O-CB 3.27Å; L654-A658 WeakPolarHBondContact O-CB 3.33Å; L654-A658 PolarHBondContact O-N 3.01Å; K655-A658 PolarHBondContact O-N 3.14Å; A658-K661 PolarHBondContact O-N 3.42Å; A658-M662 HydrophobicContact CB-CE 4.48Å; A658-M662 PolarHBondContact O-N 2.73Å
659	M	62.9	Low	57.6	Low	114 Å²	114	113 Å²	113	56%	0.562	57%	0.571	S	S	*	*	H	α-helix	trans	-65.4	-38.7	171.7	-76.9	-176.2	-81.2	0	0	111.9	K655 L656 K661 M662 W663	K655-M659 HydrophobicContact CB-CE 4.32Å; K655-M659 WeakPolarHBondContact O-CE 3.16Å; K655-M659 PolarHBondContact O-N 2.89Å; L656-M659 PolarHBondContact O-N 3.02Å; M659-K661 VanDerWaalsContact C-N 3.34Å; M659-K661 PolarHBondContact O-N 3.18Å; M659-M662 PolarHBondContact O-N 2.7Å; M659-W663 WeakPolarHBondContact O-CB 3.32Å; M659-W663 PolarHBondContact O-N 2.96Å
660	A	57.8	Low	57.6	Low	49 Å²	49	112.6 Å²	112.6	41%	0.405	56%	0.557	S	S	.	*	H	α-helix	trans	-66	-33.8	172.9	0	0	0	0	0	112.9	L656 L657 K664	L656-A660 WeakPolarHBondContact O-CB 3.29Å; L656-A660 PolarHBondContact O-N 2.9Å; L657-A660 PolarHBondContact O-N 2.82Å; A660-K664 WeakPolarHBondContact O-CB 3.43Å; A660-K664 PolarHBondContact O-N 2.99Å
661	K	58.1	Low	57.5	Low	156 Å²	156	109.9 Å²	109.9	68%	0.678	54%	0.543	S	S	*	.	H	α-helix	trans	-74.6	-30.2	175.6	-156.3	-180	-171.2	-175.4	0	112.2	L657 A658 M659 R665	L657-K661 WeakPolarHBondContact O-CB 3.28Å; L657-K661 PolarHBondContact O-N 3.28Å; A658-K661 PolarHBondContact O-N 3.42Å; M659-K661 VanDerWaalsContact C-N 3.34Å; M659-K661 PolarHBondContact O-N 3.18Å; K661-R665 WeakPolarHBondContact O-CB 3.29Å; K661-R665 PolarHBondContact O-N 3.27Å
662	M	60.2	Low	57.3	Low	119 Å²	119	109.9 Å²	109.9	59%	0.586	54%	0.543	S	S	*	.	H	α-helix	trans	-70.9	-47.7	167.5	-76.7	-174.8	-102.7	0	0	111	A658 M659 K664 R665 Q666	A658-M662 HydrophobicContact CB-CE 4.48Å; A658-M662 PolarHBondContact O-N 2.73Å; M659-M662 PolarHBondContact O-N 2.7Å; M662-K664 PolarHBondContact O-N 3.05Å; M662-R665 CarbonylContact O-C 3.59Å; M662-R665 VanDerWaalsContact O-C 3.3Å; M662-R665 WeakPolarHBondContact O-CA 3.34Å; M662-R665 WeakPolarHBondContact O-CB 3.46Å; M662-R665 PolarHBondContact O-N 3.35Å; M662-Q666 PolarHBondContact O-N 2.89Å
663	W	62.8	Low	57.2	Low	156 Å²	156	110.7 Å²	110.7	59%	0.591	54%	0.538	S	S	*	.	H	α-helix	trans	-58.2	-43.3	176.4	179	57.6	0	0	0	112.4	M659 R665 Q666 Q667	M659-W663 WeakPolarHBondContact O-CB 3.32Å; M659-W663 PolarHBondContact O-N 2.96Å; W663-R665 VanDerWaalsContact C-N 3.25Å; W663-R665 PolarHBondContact O-N 3.38Å; W663-Q666 CarbonylContact O-C 3.58Å; W663-Q666 WeakPolarHBondContact O-CA 3.2Å; W663-Q666 WeakPolarHBondContact O-CB 3.37Å; W663-Q666 PolarHBondContact O-N 2.99Å; W663-Q667 HydrophobicContact CD2-CG 4.47Å; W663-Q667 HydrophobicContact CZ2-CG 4.18Å; W663-Q667 PolarHBondContact O-N 3.37Å
664	K	63.9	Low	56.7	Low	149 Å²	149	112.2 Å²	112.2	65%	0.648	54%	0.54	S	S	*	.	H	α-helix	trans	-64.4	-28.4	172.8	-179.4	164	-176.9	168.5	0	113.2	A660 M662 A668	A660-K664 WeakPolarHBondContact O-CB 3.43Å; A660-K664 PolarHBondContact O-N 2.99Å; M662-K664 PolarHBondContact O-N 3.05Å; K664-A668 VanDerWaalsContact O-CB 3.28Å; K664-A668 WeakPolarHBondContact O-CB 3.46Å; K664-A668 PolarHBondContact O-N 2.95Å
665	R	65.7	Low	56.1	Low	203 Å²	203	117.7 Å²	117.7	77%	0.766	56%	0.564	S	S	*	*	H	α-helix	trans	-85.3	-0.2	173.2	-155.9	-176.1	-172.7	177.9	3.5	112.7	K661 M662 W663	K661-R665 WeakPolarHBondContact O-CB 3.29Å; K661-R665 PolarHBondContact O-N 3.27Å; M662-R665 CarbonylContact O-C 3.59Å; M662-R665 VanDerWaalsContact O-C 3.3Å; M662-R665 WeakPolarHBondContact O-CA 3.34Å; M662-R665 WeakPolarHBondContact O-CB 3.46Å; M662-R665 PolarHBondContact O-N 3.35Å; W663-R665 VanDerWaalsContact C-N 3.25Å; W663-R665 PolarHBondContact O-N 3.38Å
666	Q	59.4	Low	55.4	Low	117 Å²	117	118.3 Å²	118.3	55%	0.547	57%	0.57	S	S	.	*	H	α-helix	trans	-100.9	-48.1	171.8	-145.7	150.4	-7	0	0	107.9	M662 W663 A668 K669 D670	M662-Q666 PolarHBondContact O-N 2.89Å; W663-Q666 CarbonylContact O-C 3.58Å; W663-Q666 WeakPolarHBondContact O-CA 3.2Å; W663-Q666 WeakPolarHBondContact O-CB 3.37Å; W663-Q666 PolarHBondContact O-N 2.99Å; Q666-A668 VanDerWaalsContact C-N 3.34Å; Q666-A668 PolarHBondContact O-N 3.26Å; Q666-K669 CarbonylContact O-C 3.57Å; Q666-K669 WeakPolarHBondContact O-CA 3.37Å; Q666-K669 WeakPolarHBondContact O-CB 3.45Å; Q666-K669 PolarHBondContact O-N 2.87Å; Q666-D670 PolarHBondContact O-N 3.34Å; Q666-D670 VanDerWaalsContact O-OD2 3.12Å
667	Q	61.8	Low	54.7	Low	69 Å²	69	120.5 Å²	120.5	32%	0.322	58%	0.576	S	S	.	*	H	α-helix	trans	-49.2	-51.9	163.6	-69.9	-164.4	-81.4	0	0	111.7	W663 K669 D670 D671	W663-Q667 HydrophobicContact CD2-CG 4.47Å; W663-Q667 HydrophobicContact CZ2-CG 4.18Å; W663-Q667 PolarHBondContact O-N 3.37Å; Q667-K669 PolarHBondContact O-N 2.99Å; Q667-D670 PolarHBondContact N-OD2 2.88Å; Q667-D670 CarbonylContact O-C 3.55Å; Q667-D670 PolarHBondContact O-N 3.38Å; Q667-D671 VanDerWaalsContact O-CB 3.22Å; Q667-D671 WeakPolarHBondContact O-CB 3.35Å; Q667-D671 PolarHBondContact O-N 3.28Å; Q667-D671 VanDerWaalsContact O-OD2 3.08Å
668	A	60.3	Low	53.6	Low	45 Å²	45	123.7 Å²	123.7	37%	0.372	59%	0.588	S	S	.	*	H	α-helix	trans	-71.1	22.9	175.8	0	0	0	0	0	115.1	K664 Q666	K664-A668 VanDerWaalsContact O-CB 3.28Å; K664-A668 WeakPolarHBondContact O-CB 3.46Å; K664-A668 PolarHBondContact O-N 2.95Å; Q666-A668 VanDerWaalsContact C-N 3.34Å; Q666-A668 PolarHBondContact O-N 3.26Å
669	K	56.3	Low	52.3	Low	93 Å²	93	130.5 Å²	130.5	40%	0.404	61%	0.613	S	S	.	*	H	α-helix	trans	-130.3	-39.5	165.9	-75.8	-166.5	94.4	-56.9	0	110.2	Q666 Q667 D671 E672 E673	Q666-K669 CarbonylContact O-C 3.57Å; Q666-K669 WeakPolarHBondContact O-CA 3.37Å; Q666-K669 WeakPolarHBondContact O-CB 3.45Å; Q666-K669 PolarHBondContact O-N 2.87Å; Q667-K669 PolarHBondContact O-N 2.99Å; K669-D671 VanDerWaalsContact C-N 3.28Å; K669-E672 CarbonylContact O-C 3.42Å; K669-E672 WeakPolarHBondContact O-CA 3.38Å; K669-E672 PolarHBondContact O-N 2.8Å; K669-E672 VanDerWaalsContact O-N 3.09Å; K669-E673 IonicContact NZ-OE1 3.37Å; K669-E673 PolarHBondContact NZ-OE1 2.98Å; K669-E673 WeakPolarHBondContact O-CB 3.43Å; K669-E673 VanDerWaalsContact O-CG 3.31Å; K669-E673 WeakPolarHBondContact O-CG 3.36Å; K669-E673 PolarHBondContact O-N 2.9Å
670	D	52.7	Low	50.7	Low	74 Å²	74	134.2 Å²	134.2	40%	0.396	63%	0.628	S	S	.	*	H	α-helix	trans	-60	-41.8	169.6	-47.8	-30.1	0	0	0	109.3	Q666 Q667 E673 E674	Q666-D670 PolarHBondContact O-N 3.34Å; Q666-D670 VanDerWaalsContact O-OD2 3.12Å; Q667-D670 PolarHBondContact N-OD2 2.88Å; Q667-D670 CarbonylContact O-C 3.55Å; Q667-D670 PolarHBondContact O-N 3.38Å; D670-E673 CarbonylContact O-C 3.56Å; D670-E673 PolarHBondContact O-N 3.27Å; D670-E674 PolarHBondContact O-N 2.84Å
671	D	52.8	Low	50	Low	88 Å²	88	137.8 Å²	137.8	47%	0.471	65%	0.647	S	S	.	*	H	α-helix	trans	-63.3	-34	170.3	-57.1	-29.3	0	0	0	112	Q667 K669 E673	Q667-D671 VanDerWaalsContact O-CB 3.22Å; Q667-D671 WeakPolarHBondContact O-CB 3.35Å; Q667-D671 PolarHBondContact O-N 3.28Å; Q667-D671 VanDerWaalsContact O-OD2 3.08Å; K669-D671 VanDerWaalsContact C-N 3.28Å; D671-E673 VanDerWaalsContact C-N 3.34Å
672	E	50.6	Low	48.5	Very low	126 Å²	126	134.3 Å²	134.3	59%	0.589	65%	0.648	S	S	*	*	H	α-helix	trans	-78.1	-19.1	174.6	-65.9	-179.1	151.4	0	0	112.2	K669	K669-E672 CarbonylContact O-C 3.42Å; K669-E672 WeakPolarHBondContact O-CA 3.38Å; K669-E672 PolarHBondContact O-N 2.8Å; K669-E672 VanDerWaalsContact O-N 3.09Å
673	E	46.4	Very low	46.9	Very low	119 Å²	119	136 Å²	136	56%	0.556	66%	0.659	S	S	*	*	H	α-helix	trans	-97.5	-22.1	179.5	-71.7	169.2	-148.2	0	0	111.6	K669 D670 D671	K669-E673 IonicContact NZ-OE1 3.37Å; K669-E673 PolarHBondContact NZ-OE1 2.98Å; K669-E673 WeakPolarHBondContact O-CB 3.43Å; K669-E673 VanDerWaalsContact O-CG 3.31Å; K669-E673 WeakPolarHBondContact O-CG 3.36Å; K669-E673 PolarHBondContact O-N 2.9Å; D670-E673 CarbonylContact O-C 3.56Å; D670-E673 PolarHBondContact O-N 3.27Å; D671-E673 VanDerWaalsContact C-N 3.34Å
674	E	43.8	Very low	46	Very low	162 Å²	162	133.8 Å²	133.8	76%	0.757	67%	0.665	S	S	*	*	H	α-helix	trans	-80.8	-23.8	171	-76.2	-171	174.8	0	0	113.8	D670 E676	D670-E674 PolarHBondContact O-N 2.84Å; E674-E676 VanDerWaalsContact C-N 3.31Å; E674-E676 PolarHBondContact O-N 3.29Å
675	E	42.3	Very low	44.2	Very low	179 Å²	179	130.8 Å²	130.8	84%	0.836	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-6.1	176	-76.4	-167.6	165.9	0	0	114.4
676	E	39.1	Very low	42.5	Very low	174 Å²	174	129.4 Å²	129.4	81%	0.813	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	-7.2	-178.9	-69.7	-159.9	152.2	0	0	115.7	E674	E674-E676 VanDerWaalsContact C-N 3.31Å; E674-E676 PolarHBondContact O-N 3.29Å
677	E	37.9	Very low	40.9	Very low	182 Å²	182	131.6 Å²	131.6	85%	0.85	68%	0.675	S	S	*	*	S	Bend	trans	-99.4	-10.4	-174.9	-72.9	-150.7	143.7	0	0	117.1
678	E	34.5	Very low	39.3	Very low	180 Å²	180	136.6 Å²	136.6	84%	0.841	70%	0.698	S	S	*	*	S	Bend	trans	-114.9	134.1	177.8	-67.1	-156.5	147.3	0	0	115.4
679	E	29.7	Very low	37.8	Very low	187 Å²	187	141 Å²	141	87%	0.874	71%	0.712	S	S	*	*			trans	79.7	99.2	170.2	-57.3	-144.5	140.4	0	0	121.9
680	H	28.3	Very low	36.3	Very low	191 Å²	191	146.3 Å²	146.3	88%	0.884	73%	0.729	S	S	*	*			trans	-151.2	153.7	155	-104.3	35.9	0	0	0	109.6
681	P	43.5	Very low	35	Very low	125 Å²	125	146.8 Å²	146.8	81%	0.812	74%	0.738	S	S	*	*			cis	-112.8	-158.9	-30	40.8	-25.5	0	0	0	110
682	A	26.7	Very low	33.8	Very low	83 Å²	83	151.9 Å²	151.9	69%	0.686	76%	0.759	S	S	*	*			cis	-156.8	158.2	6.9	0	0	0	0	0	108.5
683	N	26.3	Very low	32.7	Very low	154 Å²	154	154.5 Å²	154.5	82%	0.824	77%	0.771	S	S	*	*				69.7	140.7	64	-147.9	30.3	0	0	0	114.6
684	P	44.5	Very low	32.6	Very low	109 Å²	109	154 Å²	154	71%	0.708	78%	0.778	S	S	*	*			cis	-116.7	-147.5	-4.2	43.2	-26	0	0	0	111.7
685	S	25.6	Very low	31.8	Very low	87 Å²	87	150.8 Å²	150.8	61%	0.608	78%	0.779	S	S	*	*			cis	-163.4	175	5.3	40.2	0	0	0	0	111.5
686	E	29.6	Very low	31.1	Very low	173 Å²	173	147.3 Å²	147.3	81%	0.808	78%	0.781	S	S	*	*			trans	70.4	136.9	167.3	-63.2	165.2	-167.3	0	0	116.2
687	E	26.4	Very low	30.7	Very low	164 Å²	164	143.4 Å²	143.4	77%	0.766	78%	0.778	S	S	*	*			cis	-155.7	162.4	-4.4	-121.9	176.2	-176.2	0	0	110.8
688	E	28.4	Very low	31	Very low	173 Å²	173	140.2 Å²	140.2	81%	0.808	77%	0.773	S	S	*	*			trans	20.4	148.3	154.8	-69.9	-171.1	175	0	0	123.7
689	E	28.1	Very low	30.6	Very low	139 Å²	139	138.3 Å²	138.3	65%	0.65	77%	0.769	S	S	*	*			cis	-163.3	167.6	-8.7	-147.6	-163.8	-163.6	0	0	109.8
690	R	25.6	Very low	30.6	Very low	204 Å²	204	138.1 Å²	138.1	77%	0.77	77%	0.765	S	S	*	*			trans	68.1	154.3	157.8	-70.2	169.7	-178.8	-93.8	-11.7	121.3
691	S	25.8	Very low	31.4	Very low	83 Å²	83	134.4 Å²	134.4	58%	0.58	76%	0.758	S	S	*	*			cis	-172.3	142.8	-24.4	53.5	0	0	0	0	113.1
692	E	26.6	Very low	31.4	Very low	196 Å²	196	133.8 Å²	133.8	92%	0.916	75%	0.754	S	S	*	*			trans	74.2	154.1	148.9	-70.1	175.7	167.5	0	0	123
693	E	28.1	Very low	31.5	Very low	181 Å²	181	139.1 Å²	139.1	85%	0.846	77%	0.765	S	S	*	*			trans	-96.6	-174.9	-179	-94.4	-172.5	171.3	0	0	111.7
694	P	44.8	Very low	31.5	Very low	109 Å²	109	135.2 Å²	135.2	71%	0.708	76%	0.761	S	S	*	*			cis	-138.5	-172.6	-27.9	32.7	-11.6	0	0	0	114.8
695	A	27.1	Very low	30.7	Very low	94 Å²	94	139.9 Å²	139.9	78%	0.777	77%	0.773	S	S	*	*			trans	97	148.6	135.7	0	0	0	0	0	124
696	A	26.8	Very low	30.8	Very low	105 Å²	105	140.6 Å²	140.6	87%	0.868	78%	0.784	S	S	*	*			trans	85.2	148.1	155.7	0	0	0	0	0	121.9
697	A	31.2	Very low	30.7	Very low	92 Å²	92	141.7 Å²	141.7	76%	0.76	79%	0.79	S	S	*	*			trans	-104.6	-171.3	172.4	0	0	0	0	0	109.2
698	P	43.4	Very low	30.7	Very low	115 Å²	115	142.3 Å²	142.3	75%	0.747	79%	0.794	S	S	*	*			cis	-151.4	-176.3	31.2	42.8	-19.4	0	0	0	119.2
699	D	27.1	Very low	30.6	Very low	141 Å²	141	140.3 Å²	140.3	75%	0.754	79%	0.785	S	S	*	*			trans	76.7	132.9	138.3	-103.6	7.3	0	0	0	126.7
700	K	29.3	Very low	30.4	Very low	182 Å²	182	141.3 Å²	141.3	79%	0.791	79%	0.787	S	S	*	*			trans	89.3	146.5	146.4	-74.1	-175.4	177.4	-176.6	0	124.2
701	P	43.6	Very low	30.3	Very low	114 Å²	114	136.9 Å²	136.9	74%	0.74	78%	0.783	S	S	*	*			trans	-111.1	-168	178.7	43.2	-28.9	0	0	0	112.9
702	P	45.1	Very low	30.3	Very low	111 Å²	111	144.4 Å²	144.4	72%	0.721	80%	0.801	S	S	*	*				-152.6	171.1	91.4	42.2	-23.9	0	0	0	118.2
703	E	28.8	Very low	30.3	Very low	196 Å²	196	141.9 Å²	141.9	92%	0.916	79%	0.793	S	S	*	*			trans	19.6	149.5	143.3	-62.7	173.7	169.2	0	0	124.8
704	G	25.3	Very low	30.2	Very low	71 Å²	71	140 Å²	140	73%	0.732	79%	0.789	S	S	*	*			trans	164.9	112.7	146.9	0	0	0	0	0	116.5
705	E	27.4	Very low	29.5	Very low	208 Å²	208	146.7 Å²	146.7	97%	0.972	80%	0.8	S	S	*	*			trans	174	163.1	130.8	-98.7	-179.7	-171.2	0	0	112.4
706	A	28.8	Very low	29.4	Very low	102 Å²	102	150.2 Å²	150.2	84%	0.843	81%	0.806	S	S	*	*			trans	-134.4	165.9	-168.6	0	0	0	0	0	113.5
707	Q	26.8	Very low	29.4	Very low	196 Å²	196	152.9 Å²	152.9	92%	0.916	81%	0.806	S	S	*	*			trans	-131.8	144.4	-178	-70.2	-174.7	-18.6	0	0	113.8
708	M	25.8	Very low	29.3	Very low	176 Å²	176	153.3 Å²	153.3	87%	0.867	80%	0.803	S	S	*	*			trans	-166.2	142	169.7	-100.1	-168.1	155.7	0	0	107.2
709	E	27	Very low	28.6	Very low	132 Å²	132	153 Å²	153	62%	0.617	80%	0.803	S	S	*	*			cis	-133.3	-173.5	-10.7	-58	-166.1	93.9	0	0	107.5
710	K	24.6	Very low	28.6	Very low	159 Å²	159	152 Å²	152	69%	0.691	81%	0.807	S	S	*	*			cis	-163.2	-174.7	3.4	-135.6	160.7	-170.3	141	0	105.7
711	T	23.6	Very low	28.5	Very low	112 Å²	112	148.5 Å²	148.5	69%	0.687	81%	0.806	S	S	*	*			cis	-144.8	159.4	0.6	32.1	0	0	0	0	107.4
712	Y	26.3	Very low	27.8	Very low	241 Å²	241	152.2 Å²	152.2	95%	0.945	81%	0.814	S	S	*	*			trans	-154.6	161.3	151.4	-115.7	-76.7	0	0	0	111.9
713	D	25.3	Very low	26.9	Very low	143 Å²	143	152.4 Å²	152.4	77%	0.765	82%	0.818	S	S	*	*			trans	-114.1	163.1	-176.5	-148.9	-9.6	0	0	0	111.8
714	D	26.5	Very low	26.9	Very low	142 Å²	142	152 Å²	152	76%	0.759	82%	0.815	S	S	*	*			trans	38.9	113.5	167.4	-94.6	-18.6	0	0	0	120.8
715	R	29.1	Very low	27	Very low	249 Å²	249	157.8 Å²	157.8	94%	0.94	82%	0.824	S	S	*	*				-159.5	141.5	126.4	-110.1	162.6	-156	-160.5	4.8	113.6
716	D	26.1	Very low	26.9	Very low	167 Å²	167	156.8 Å²	156.8	89%	0.893	82%	0.819	S	S	*	*			trans	-63.3	145.9	172	-65.4	-67	0	0	0	111.4
717	D	27.2	Very low	26.8	Very low	162 Å²	162	159.7 Å²	159.7	87%	0.866	82%	0.82	S	S	*	*			trans	-130.2	168.2	156.2	-157.5	3.5	0	0	0	111
718	S	28	Very low	26.8	Very low	100 Å²	100	153 Å²	153	70%	0.699	80%	0.804	S	S	*	*			trans	-117	152.2	-162.1	-59.2	0	0	0	0	114
719	S	28	Very low	26.9	Very low	108 Å²	108	148.8 Å²	148.8	76%	0.755	81%	0.805	S	S	*	*			trans	58.2	73.4	145.9	-170.2	0	0	0	0	117.7	S721	S719-S721 PolarHBondContact O-N 2.97Å
720	S	27.3	Very low	27	Very low	120 Å²	120	152.4 Å²	152.4	84%	0.839	82%	0.819	S	S	*	*			trans	-61.1	123	155.9	-56	0	0	0	0	110.6
721	S	28.7	Very low	27.2	Very low	109 Å²	109	154.5 Å²	154.5	76%	0.762	83%	0.828	S	S	*	*			trans	-120.9	104	161.7	57.3	0	0	0	0	107.9	S719	S719-S721 PolarHBondContact O-N 2.97Å
722	E	28.3	Very low	27.4	Very low	193 Å²	193	160.9 Å²	160.9	90%	0.902	84%	0.84	S	S	*	*			trans	-90	129.8	176.8	-68	178.3	137	0	0	109.7
723	S	26.8	Very low	27.5	Very low	115 Å²	115	155 Å²	155	80%	0.804	83%	0.834	S	S	*	*			trans	-118.8	145.6	167.7	56	0	0	0	0	108.8
724	E	27.8	Very low	27.6	Very low	186 Å²	186	153.6 Å²	153.6	87%	0.869	84%	0.835	S	S	*	*			trans	-65.2	148.6	-175	-59.5	156.8	130.1	0	0	112.4
725	E	27	Very low	27.9	Very low	194 Å²	194	155.6 Å²	155.6	91%	0.907	84%	0.84	S	S	*	*				-170.5	176.9	119.8	-106.9	176	-162.2	0	0	113.2
726	E	26.7	Very low	28.1	Very low	187 Å²	187	151.1 Å²	151.1	87%	0.874	83%	0.83	S	S	*	*			trans	-71.5	175	-172	-42.5	178.9	132	0	0	112.4
727	D	25.6	Very low	28.5	Very low	163 Å²	163	151.1 Å²	151.1	87%	0.872	83%	0.83	S	S	*	*			cis	-157	-176.3	13	175.3	32.5	0	0	0	108.3
728	G	27.6	Very low	29.2	Very low	56 Å²	56	150.3 Å²	150.3	58%	0.577	82%	0.818	S	S	*	*			trans	127.8	41.5	143.6	0	0	0	0	0	118.4	K730	G728-K730 PolarHBondContact O-N 3.43Å
729	G	27.9	Very low	29.9	Very low	86 Å²	86	157 Å²	157	89%	0.887	85%	0.847	S	S	*	*			trans	-61.6	129.4	176.9	0	0	0	0	0	114.1
730	K	28.2	Very low	30	Very low	209 Å²	209	159.5 Å²	159.5	91%	0.909	85%	0.851	S	S	*	*			trans	-134	124.9	177.2	-134	167.9	-167.8	166.5	0	114.1	G728	G728-K730 PolarHBondContact O-N 3.43Å
731	K	28.3	Very low	30.2	Very low	202 Å²	202	161.6 Å²	161.6	88%	0.878	85%	0.852	S	S	*	*			trans	-67.9	136.8	-173.7	-62.1	167.3	176.3	173.4	0	113.9
732	R	27.8	Very low	30.3	Very low	247 Å²	247	164.5 Å²	164.5	93%	0.932	86%	0.857	S	S	*	*			trans	-175	148.5	140.4	-98.1	160.3	-170.7	-162.8	1.9	107.4
733	S	28.3	Very low	30.4	Very low	117 Å²	117	162.8 Å²	162.8	82%	0.818	85%	0.854	S	S	*	*			cis	-149.7	165.8	-5.5	34.7	0	0	0	0	109.7
734	S	29.3	Very low	30.6	Very low	114 Å²	114	165.8 Å²	165.8	80%	0.797	86%	0.857	S	S	*	*			trans	-108.7	123.6	-177.4	53.9	0	0	0	0	112.3
735	E	31.3	Very low	30.8	Very low	183 Å²	183	164.5 Å²	164.5	86%	0.855	86%	0.857	S	S	*	*			trans	-131.1	112.7	156	-80.4	164.9	156.4	0	0	104.3
736	E	32.8	Very low	31	Very low	155 Å²	155	162.4 Å²	162.4	72%	0.724	85%	0.853	S	S	*	*				61	101.1	89.8	-76.1	-135.4	113.9	0	0	113.1	K738	E736-K738 IonicContact OE1-NZ 2.74Å; E736-K738 PolarHBondContact OE1-NZ 3.18Å
737	D	36.3	Very low	31.4	Very low	168 Å²	168	160.5 Å²	160.5	90%	0.898	85%	0.851	S	S	*	*			trans	-148.6	160.2	130.5	-126.1	-26.9	0	0	0	110.3
738	K	42	Very low	31.9	Very low	144 Å²	144	160.3 Å²	160.3	63%	0.626	85%	0.85	S	S	*	*			trans	-126.7	131.8	-172	-60.2	175.4	-176	72.7	0	111.6	E736	E736-K738 IonicContact OE1-NZ 2.74Å; E736-K738 PolarHBondContact OE1-NZ 3.18Å
739	D	42.7	Very low	32.3	Very low	242 Å²	242	169.7 Å²	169.7	100%	1.294	87%	0.874	S	S	*	*				178.5	0	120.7	-88.8	-10.5	0	0	0	111.7

Retrieved 739 of 739 residues in 2219 ms (Link to these results)

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