A0A5K4EDT8_SCHMA Loading...

Sortingnexin-related

AlphaFold DB , UniProt , Accession A0A5K4EDT8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 440 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	33.4	Very low	221 Å²	221	164.4 Å²	164.4	100%	1.089	85%	0.85	S	S	*	*				0	122.4	0	-84.3	173.1	60.1	0	0	105.8
2	L	33.9	Very low	33.1	Very low	166 Å²	166	162.8 Å²	162.8	87%	0.869	84%	0.844	S	S	*	*			trans	-74.2	117.9	171.9	-71.1	155.1	0	0	0	106.1
3	D	34.5	Very low	32.8	Very low	147 Å²	147	164.5 Å²	164.5	79%	0.786	85%	0.846	S	S	*	*			trans	-106.7	103.3	164.6	-75.2	-29	0	0	0	106.6	E5	D3-E5 PolarHBondContact O-N 3.02Å
4	D	37.6	Very low	32.5	Very low	137 Å²	137	163.1 Å²	163.1	73%	0.733	84%	0.84	S	S	*	*			trans	-66.9	114.4	168.3	-74.2	-46.4	0	0	0	108.9
5	E	37.7	Very low	32.4	Very low	191 Å²	191	159.9 Å²	159.9	89%	0.893	84%	0.838	S	S	*	*			trans	-125.2	87.5	161	-135.1	174.3	-164.8	0	0	108.2	D3 A7	D3-E5 PolarHBondContact O-N 3.02Å; E5-A7 PolarHBondContact O-N 3.37Å; E5-A7 VanDerWaalsContact O-N 3.07Å
6	F	31.1	Very low	32.4	Very low	192 Å²	192	161.1 Å²	161.1	84%	0.842	84%	0.838	S	S	*	*			trans	-63.7	96	165.2	-87.8	-97.1	0	0	0	108.5
7	A	36.2	Very low	32.4	Very low	93 Å²	93	160.7 Å²	160.7	77%	0.769	84%	0.837	S	S	*	*			trans	-79.5	115.7	163.1	0	0	0	0	0	108.7	E5 L9	E5-A7 PolarHBondContact O-N 3.37Å; E5-A7 VanDerWaalsContact O-N 3.07Å; A7-L9 PolarHBondContact O-N 3.42Å
8	E	31.2	Very low	32.4	Very low	195 Å²	195	155.9 Å²	155.9	91%	0.911	83%	0.825	S	S	*	*			trans	-51.9	130.8	175.8	-85.3	172.4	137.3	0	0	112.1	D10	E8-D10 PolarHBondContact O-N 3.18Å
9	L	26.5	Very low	32.3	Very low	159 Å²	159	155.1 Å²	155.1	83%	0.832	82%	0.82	S	S	*	*			trans	-65.5	110.1	170.4	-83.5	142.3	0	0	0	110.2	A7 L11	A7-L9 PolarHBondContact O-N 3.42Å; L9-L11 PolarHBondContact O-N 3.16Å; L9-L11 VanDerWaalsContact O-N 3.16Å
10	D	31.4	Very low	32.3	Very low	159 Å²	159	152.3 Å²	152.3	85%	0.85	81%	0.806	S	S	*	*			trans	-76.4	97	169.5	-133.5	-16.8	0	0	0	109	E8 N12	E8-D10 PolarHBondContact O-N 3.18Å; D10-N12 VanDerWaalsContact C-N 3.3Å; D10-N12 PolarHBondContact O-N 3.44Å; D10-N12 VanDerWaalsContact O-N 3.12Å
11	L	31.1	Very low	32.8	Very low	148 Å²	148	150 Å²	150	78%	0.775	80%	0.798	S	S	*	*			trans	-82.6	67.2	179.3	-74	169.7	0	0	0	110.8	L9	L9-L11 PolarHBondContact O-N 3.16Å; L9-L11 VanDerWaalsContact O-N 3.16Å
12	N	29.2	Very low	33	Very low	145 Å²	145	143 Å²	143	78%	0.775	77%	0.77	S	S	*	*			trans	-155.7	86.9	165.7	-87.7	-36.6	0	0	0	110.3	D10	D10-N12 VanDerWaalsContact C-N 3.3Å; D10-N12 PolarHBondContact O-N 3.44Å; D10-N12 VanDerWaalsContact O-N 3.12Å
13	E	29.2	Very low	33.5	Very low	186 Å²	186	135.9 Å²	135.9	87%	0.869	73%	0.733	S	S	*	*	S	Bend	trans	161	121.8	145.1	-89.2	171.2	-171	0	0	107.9
14	N	29.1	Very low	33.6	Very low	144 Å²	144	135.7 Å²	135.7	77%	0.77	73%	0.732	S	S	*	*			trans	102.4	39	178.3	-54.1	-37	0	0	0	119	E16	N14-E16 VanDerWaalsContact C-N 3.3Å; N14-E16 PolarHBondContact O-N 3.43Å
15	S	29.8	Very low	33.7	Very low	115 Å²	115	130.1 Å²	130.1	80%	0.804	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-77.3	-1	169.4	62.9	0	0	0	0	115.7
16	E	33.5	Very low	33.8	Very low	180 Å²	180	129 Å²	129	84%	0.841	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-90.3	-3.5	179.7	-75.2	-167	161.7	0	0	115.6	N14	N14-E16 VanDerWaalsContact C-N 3.3Å; N14-E16 PolarHBondContact O-N 3.43Å
17	N	31.9	Very low	34.4	Very low	154 Å²	154	120.3 Å²	120.3	82%	0.824	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-104	8.7	177.7	-82.8	-19.9	0	0	0	114.9
18	A	31.8	Very low	34.8	Very low	74 Å²	74	117.6 Å²	117.6	61%	0.612	64%	0.636	S	S	*	*	S	Bend	trans	-87.7	119.5	177.8	0	0	0	0	0	111.5
19	L	30.4	Very low	35.6	Very low	141 Å²	141	108.6 Å²	108.6	74%	0.738	59%	0.594	S	S	*	*	S	Bend	trans	89.9	22.2	160.6	-54.1	167.5	0	0	0	120.1	V21	L19-V21 PolarHBondContact O-N 3.48Å
20	N	33.9	Very low	36.8	Very low	99 Å²	99	108.8 Å²	108.8	53%	0.529	59%	0.591	S	S	.	*			trans	-88.1	99.6	161.6	-78.9	-30.3	0	0	0	110.2	S22	N20-S22 PolarHBondContact O-N 3.3Å; N20-S22 VanDerWaalsContact O-N 3.1Å
21	V	42.9	Very low	37.5	Very low	105 Å²	105	102.1 Å²	102.1	64%	0.636	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.7	104.4	160.8	-179.1	0	0	0	0	106.3	L19 L23	L19-V21 PolarHBondContact O-N 3.48Å; V21-L23 PolarHBondContact O-N 3.19Å; V21-L23 VanDerWaalsContact O-N 3.16Å
22	S	39.3	Very low	38.3	Very low	74 Å²	74	98.1 Å²	98.1	52%	0.517	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-60.9	116.5	171.2	-169.6	0	0	0	0	107.8	N20 N24	N20-S22 PolarHBondContact O-N 3.3Å; N20-S22 VanDerWaalsContact O-N 3.1Å; S22-N24 PolarHBondContact O-N 3.16Å
23	L	45.8	Very low	39.2	Very low	16 Å²	16	93 Å²	93	8%	0.084	52%	0.521	C	S	.	.			trans	-67	117.7	161.1	-61.6	169.4	0	0	0	104.1	V21 S25 N142 V145	V21-L23 PolarHBondContact O-N 3.19Å; V21-L23 VanDerWaalsContact O-N 3.16Å; L23-S25 WeakPolarHBondContact O-CA 3.42Å; L23-S25 WeakPolarHBondContact O-CB 3.41Å; L23-S25 PolarHBondContact O-N 3.31Å; L23-S25 PolarHBondContact O-OG 3.47Å; L23-N142 WeakPolarHBondContact CD2-OD1 3.34Å; L23-V145 HydrophobicContact CD1-CB 4.49Å; L23-V145 HydrophobicContact CD1-CG1 4.13Å; L23-V145 HydrophobicContact CD1-CG2 4.16Å
24	N	36.9	Very low	40.3	Very low	143 Å²	143	88.2 Å²	88.2	77%	0.765	51%	0.505	S	S	*	.			trans	-49.8	105.3	178	-85.2	-11	0	0	0	108.8	S22	S22-N24 PolarHBondContact O-N 3.16Å
25	S	38.3	Very low	41.6	Very low	20 Å²	20	82.5 Å²	82.5	14%	0.14	48%	0.476	C	S	.	.			trans	-133.2	27.6	-161.4	53.2	0	0	0	0	114.3	L23 S27 N66 P67	L23-S25 WeakPolarHBondContact O-CA 3.42Å; L23-S25 WeakPolarHBondContact O-CB 3.41Å; L23-S25 PolarHBondContact O-N 3.31Å; L23-S25 PolarHBondContact O-OG 3.47Å; S25-S27 PolarHBondContact O-N 3.07Å; S25-N66 WeakPolarHBondContact OG-CA 3.5Å; S25-P67 VanDerWaalsContact CB-CG 3.41Å; S25-P67 WeakPolarHBondContact OG-CD 3.38Å
26	E	39.8	Very low	42.9	Very low	168 Å²	168	85.1 Å²	85.1	79%	0.785	48%	0.475	S	S	*	.	S	Bend	trans	-74.6	64.5	155.8	-67.4	-171.6	170.2	0	0	109.2
27	S	44.7	Very low	44.5	Very low	9 Å²	9	77.1 Å²	77.1	6%	0.063	44%	0.437	C	S	.	.			trans	57.4	134.9	-167.5	83.4	0	0	0	0	114.5	S25 L29 Q30	S25-S27 PolarHBondContact O-N 3.07Å; S27-L29 PolarHBondContact O-N 3.14Å; S27-L29 PolarHBondContact OG-N 3.43Å; S27-Q30 PolarHBondContact O-N 2.98Å; S27-Q30 PolarHBondContact OG-N 3.04Å; S27-Q30 VanDerWaalsContact OG-N 3.08Å
28	C	43.1	Very low	46.2	Very low	36 Å²	36	74.2 Å²	74.2	24%	0.243	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-20.2	163.9	-166.7	0	0	0	0	111.4	Q30 E146	C28-Q30 VanDerWaalsContact C-N 3.3Å; C28-Q30 PolarHBondContact O-N 3.15Å; C28-E146 HydrophobicContact CB-CB 3.71Å; C28-E146 HydrophobicContact CB-CG 3.81Å
29	L	49.1	Very low	48	Very low	5 Å²	5	70.8 Å²	70.8	3%	0.026	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-12.3	-179.1	-59.6	169.6	0	0	0	113.7	S27 T31 L299 E302 A303 L417	S27-L29 PolarHBondContact O-N 3.14Å; S27-L29 PolarHBondContact OG-N 3.43Å; L29-T31 HydrophobicContact CB-CG2 4.19Å; L29-T31 VanDerWaalsContact O-CG2 3.25Å; L29-T31 WeakPolarHBondContact O-CG2 2.93Å; L29-T31 PolarHBondContact O-N 3.04Å; L29-L299 HydrophobicContact CB-CD1 3.79Å; L29-L299 HydrophobicContact CD2-CD1 3.48Å; L29-L299 VanDerWaalsContact CD2-CD1 3.48Å; L29-L299 HydrophobicContact CG-CD1 4.24Å; L29-L299 WeakPolarHBondContact O-CD1 3.44Å; L29-L299 WeakPolarHBondContact O-CD2 3.45Å; L29-E302 HydrophobicContact CD2-CB 4.27Å; L29-E302 HydrophobicContact CD2-CG 4.14Å; L29-A303 HydrophobicContact CD2-CB 4.07Å; L29-L417 HydrophobicContact CD1-CD1 4.03Å; L29-L417 HydrophobicContact CD1-CD2 3.44Å; L29-L417 VanDerWaalsContact CD1-CD2 3.44Å; L29-L417 HydrophobicContact CD1-CG 4.37Å
30	Q	51.1	Low	49.9	Very low	163 Å²	163	65.6 Å²	65.6	76%	0.762	37%	0.365	S	S	*	.			trans	45.5	24.1	-179.2	-60.6	-174.5	-8.4	0	0	114.4	S27 C28 G32	S27-Q30 PolarHBondContact O-N 2.98Å; S27-Q30 PolarHBondContact OG-N 3.04Å; S27-Q30 VanDerWaalsContact OG-N 3.08Å; C28-Q30 VanDerWaalsContact C-N 3.3Å; C28-Q30 PolarHBondContact O-N 3.15Å; Q30-G32 VanDerWaalsContact C-N 3.31Å
31	T	47	Very low	51.2	Low	20 Å²	20	63.9 Å²	63.9	12%	0.123	35%	0.354	C	S	.	.	S	Bend	trans	-86	-10.5	-179	54.1	0	0	0	0	111.6	L29 F33 L299 L417 I421	L29-T31 HydrophobicContact CB-CG2 4.19Å; L29-T31 VanDerWaalsContact O-CG2 3.25Å; L29-T31 WeakPolarHBondContact O-CG2 2.93Å; L29-T31 PolarHBondContact O-N 3.04Å; T31-F33 PolarHBondContact O-N 3Å; T31-F33 VanDerWaalsContact O-N 3.14Å; T31-F33 WeakPolarHBondContact OG1-CB 3.49Å; T31-F33 PolarHBondContact OG1-N 3.13Å; T31-L299 HydrophobicContact CG2-CD2 4.16Å; T31-L417 HydrophobicContact CG2-CD1 3.54Å; T31-L417 WeakPolarHBondContact OG1-CD1 3.35Å; T31-I421 HydrophobicContact CG2-CG1 4.27Å
32	G	47	Very low	51.7	Low	63 Å²	63	62.1 Å²	62.1	65%	0.649	34%	0.341	S	S	*	.			trans	67.7	-1.1	-168.7	0	0	0	0	0	113	Q30 T34	Q30-G32 VanDerWaalsContact C-N 3.31Å; G32-T34 PolarHBondContact O-N 3.26Å
33	F	48	Very low	51.7	Low	38 Å²	38	68.4 Å²	68.4	17%	0.167	36%	0.359	C	S	.	.			trans	-87.5	109.7	-177.2	179.8	-110.5	0	0	0	110.9	T31 P35 E413 E416 L417 Q420	T31-F33 PolarHBondContact O-N 3Å; T31-F33 VanDerWaalsContact O-N 3.14Å; T31-F33 WeakPolarHBondContact OG1-CB 3.49Å; T31-F33 PolarHBondContact OG1-N 3.13Å; F33-P35 HydrophobicContact CD1-CG 4.27Å; F33-P35 HydrophobicContact CE1-CB 4.02Å; F33-P35 HydrophobicContact CE1-CG 3.6Å; F33-P35 HydrophobicContact CE2-CB 4.32Å; F33-P35 HydrophobicContact CZ-CB 3.69Å; F33-P35 HydrophobicContact CZ-CG 3.83Å; F33-E413 WeakPolarHBondContact CE1-O 3.37Å; F33-E416 HydrophobicContact CE1-CB 4.18Å; F33-E416 HydrophobicContact CE2-CB 4.12Å; F33-E416 HydrophobicContact CZ-CB 3.65Å; F33-E416 WeakPolarHBondContact CZ-OE2 3.47Å; F33-L417 HydrophobicContact CD1-CB 4.12Å; F33-L417 HydrophobicContact CD1-CD1 4.37Å; F33-L417 HydrophobicContact CE1-CB 4.25Å; F33-Q420 VanDerWaalsContact CD2-NE2 3.33Å
34	T	53.5	Low	51.4	Low	85 Å²	85	70.6 Å²	70.6	52%	0.521	38%	0.376	S	S	.	.			trans	-121.3	89	172.9	50.4	0	0	0	0	108.4	G32 E36	G32-T34 PolarHBondContact O-N 3.26Å; T34-E36 PolarHBondContact O-N 3.02Å
35	P	55.6	Low	51	Low	25 Å²	25	69.6 Å²	69.6	16%	0.162	38%	0.377	C	S	.	.			trans	-62	137.2	179.6	23	-29.3	0	0	0	109.5	F33 R37 K63 E413	F33-P35 HydrophobicContact CD1-CG 4.27Å; F33-P35 HydrophobicContact CE1-CB 4.02Å; F33-P35 HydrophobicContact CE1-CG 3.6Å; F33-P35 HydrophobicContact CE2-CB 4.32Å; F33-P35 HydrophobicContact CZ-CB 3.69Å; F33-P35 HydrophobicContact CZ-CG 3.83Å; P35-R37 PolarHBondContact O-N 3.04Å; P35-K63 PolarHBondContact O-NZ 2.97Å; P35-E413 HydrophobicContact CB-CG 3.83Å; P35-E413 HydrophobicContact CG-CB 4.21Å; P35-E413 HydrophobicContact CG-CG 3.78Å
36	E	58.1	Low	50.7	Low	170 Å²	170	74.6 Å²	74.6	79%	0.794	40%	0.401	S	S	*	.			trans	-72.4	117.5	170.8	-74.4	-173.3	175.5	0	0	109.1	T34 I38	T34-E36 PolarHBondContact O-N 3.02Å; E36-I38 PolarHBondContact O-N 3.47Å
37	R	66	Low	50.2	Low	11 Å²	11	74.1 Å²	74.1	4%	0.042	40%	0.404	C	S	.	.			trans	-85.6	96.5	176.4	-169.5	176	-67.3	-75.1	-4.9	109.8	P35 V39 E153 R154 E413	P35-R37 PolarHBondContact O-N 3.04Å; R37-V39 PolarHBondContact O-N 2.88Å; R37-E153 IonicContact NE-OE1 2.74Å; R37-R154 VanDerWaalsContact CZ-CG 3.42Å; R37-E413 IonicContact CZ-OE1 2.63Å; R37-E413 VanDerWaalsContact CZ-OE1 3.3Å; R37-E413 IonicContact CZ-OE2 3.57Å; R37-E413 IonicContact NH1-OE1 3.11Å; R37-E413 PolarHBondContact NH1-OE1 3.09Å; R37-E413 IonicContact NH1-OE2 3.43Å; R37-E413 IonicContact NH2-OE1 3.67Å; R37-E413 PolarHBondContact NH2-OE1 3.37Å; R37-E413 IonicContact NH2-OE2 2.73Å; R37-E413 PolarHBondContact NH2-OE2 3.1Å
38	I	68.3	Low	49.6	Very low	94 Å²	94	80.2 Å²	80.2	48%	0.482	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-64.2	130.6	171.5	-65.6	169.7	0	0	0	109.4	E36 I40 V59 Q409	E36-I38 PolarHBondContact O-N 3.47Å; I38-I40 PolarHBondContact O-N 3.4Å; I38-V59 HydrophobicContact CG2-CG1 3.62Å; I38-Q409 PolarHBondContact O-NE2 3.45Å
39	V	68.6	Low	49	Very low	2 Å²	2	81.5 Å²	81.5	1%	0.012	45%	0.453	C	S	.	.			trans	-70	117.1	167.9	178.4	0	0	0	0	107.8	R37 H41 A60 V62 L160	R37-V39 PolarHBondContact O-N 2.88Å; V39-H41 PolarHBondContact O-N 3.46Å; V39-A60 HydrophobicContact CB-CB 4.04Å; V39-A60 WeakPolarHBondContact CB-O 3.47Å; V39-A60 HydrophobicContact CG1-CB 4.42Å; V39-A60 HydrophobicContact CG2-CB 4.08Å; V39-A60 VanDerWaalsContact CG2-O 3.24Å; V39-A60 WeakPolarHBondContact CG2-O 3.46Å; V39-A60 PolarHBondContact N-O 3.17Å; V39-V62 HydrophobicContact CG2-CG1 4.44Å; V39-L160 HydrophobicContact CG1-CB 4.14Å; V39-L160 HydrophobicContact CG2-CB 4.12Å
40	I	71.6	Confident	48.2	Very low	32 Å²	32	91 Å²	91	16%	0.164	50%	0.495	C	S	.	.			trans	-69.7	113.4	174.7	-65.4	156.8	0	0	0	107.3	I38 S161 A405 Y406	I38-I40 PolarHBondContact O-N 3.4Å; I40-S161 WeakPolarHBondContact O-CB 3.36Å; I40-A405 HydrophobicContact CD1-CB 3.59Å; I40-A405 HydrophobicContact CG1-CB 4.29Å; I40-A405 HydrophobicContact CG2-CB 4.12Å; I40-Y406 HydrophobicContact CD1-CD1 3.54Å; I40-Y406 HydrophobicContact CD1-CE1 3.61Å; I40-Y406 HydrophobicContact CD1-CG 4.03Å; I40-Y406 HydrophobicContact CG1-CE1 4.48Å
41	H	61.6	Low	47.2	Very low	62 Å²	62	91.6 Å²	91.6	29%	0.287	50%	0.497	S	S	.	.			trans	-91.1	143.9	169	-69.7	-55	0	0	0	110.4	V39 K43 A60	V39-H41 PolarHBondContact O-N 3.46Å; H41-K43 PolarHBondContact O-N 2.96Å; H41-A60 WeakPolarHBondContact NE2-CB 3.19Å
42	D	51.7	Low	46.2	Very low	68 Å²	68	97.9 Å²	97.9	36%	0.364	54%	0.536	S	S	.	.			trans	-56.5	132	166.5	-170.4	4	0	0	0	109.6	S44	D42-S44 VanDerWaalsContact C-N 3.33Å; D42-S44 WeakPolarHBondContact OD1-CB 3.36Å; D42-S44 PolarHBondContact OD1-N 3.4Å; D42-S44 PolarHBondContact OD1-OG 2.94Å; D42-S44 VanDerWaalsContact OD2-CB 3.29Å; D42-S44 WeakPolarHBondContact OD2-CB 3.47Å; D42-S44 PolarHBondContact OD2-OG 2.81Å
43	K	40.7	Very low	45.4	Very low	206 Å²	206	99.4 Å²	99.4	90%	0.896	53%	0.532	S	S	*	.			trans	-92.8	7.1	171.7	-71.6	-171.2	178.6	-177.7	0	112	H41	H41-K43 PolarHBondContact O-N 2.96Å
44	S	38.7	Very low	44.4	Very low	63 Å²	63	107.5 Å²	107.5	44%	0.441	57%	0.567	S	S	.	*	S	Bend	trans	-62.4	128.8	172.7	77.1	0	0	0	0	109.6	D42 I46	D42-S44 VanDerWaalsContact C-N 3.33Å; D42-S44 WeakPolarHBondContact OD1-CB 3.36Å; D42-S44 PolarHBondContact OD1-N 3.4Å; D42-S44 PolarHBondContact OD1-OG 2.94Å; D42-S44 VanDerWaalsContact OD2-CB 3.29Å; D42-S44 WeakPolarHBondContact OD2-CB 3.47Å; D42-S44 PolarHBondContact OD2-OG 2.81Å; S44-I46 PolarHBondContact O-N 3.42Å; S44-I46 VanDerWaalsContact O-N 3.08Å
45	P	27.7	Very low	43.5	Very low	122 Å²	122	108.2 Å²	108.2	79%	0.792	57%	0.572	S	S	*	*			trans	-64.8	114.5	174.8	24.3	-30.1	0	0	0	108.2	D47	P45-D47 PolarHBondContact O-N 2.94Å
46	I	32.9	Very low	42.7	Very low	124 Å²	124	114 Å²	114	64%	0.636	61%	0.607	S	S	*	*			trans	-61.5	118.4	159.9	-50	175.8	0	0	0	104.9	S44 I48	S44-I46 PolarHBondContact O-N 3.42Å; S44-I46 VanDerWaalsContact O-N 3.08Å; I46-I48 HydrophobicContact CB-CG1 4.31Å; I46-I48 HydrophobicContact CG2-CD1 3.87Å; I46-I48 HydrophobicContact CG2-CG1 3.64Å; I46-I48 PolarHBondContact O-N 3.47Å
47	D	28.4	Very low	42.2	Very low	159 Å²	159	109.2 Å²	109.2	85%	0.85	59%	0.592	S	S	*	*			trans	-67	81.3	174	-170	19.1	0	0	0	109	P45	P45-D47 PolarHBondContact O-N 2.94Å
48	I	32.5	Very low	41.7	Very low	137 Å²	137	112.4 Å²	112.4	70%	0.703	61%	0.61	S	S	*	*			trans	-116.2	105.6	164.1	-49.9	-178.6	0	0	0	103.9	I46 K50	I46-I48 HydrophobicContact CB-CG1 4.31Å; I46-I48 HydrophobicContact CG2-CD1 3.87Å; I46-I48 HydrophobicContact CG2-CG1 3.64Å; I46-I48 PolarHBondContact O-N 3.47Å; I48-K50 PolarHBondContact O-N 3.36Å
49	G	31.9	Very low	41.6	Very low	63 Å²	63	110.8 Å²	110.8	65%	0.649	60%	0.604	S	S	*	*			trans	-44.1	134.3	-169.3	0	0	0	0	0	114.3
50	K	30.8	Very low	42.1	Very low	205 Å²	205	111 Å²	111	89%	0.891	61%	0.606	S	S	*	*	S	Bend	trans	45.6	84.8	158.2	-61.5	-177.5	179.9	178.8	0	116.1	I48	I48-K50 PolarHBondContact O-N 3.36Å
51	E	30.6	Very low	42.8	Very low	174 Å²	174	113 Å²	113	81%	0.813	61%	0.612	S	S	*	*			trans	-169.7	116.2	131.7	-110	168	-172.9	0	0	109.8	V53	E51-V53 HydrophobicContact CB-CG2 4.27Å; E51-V53 PolarHBondContact O-N 2.91Å
52	T	25.4	Very low	44.2	Very low	153 Å²	153	110.1 Å²	110.1	94%	0.939	60%	0.599	S	S	*	*			trans	-71	77.4	169.7	1.5	0	0	0	0	108.8	K54	T52-K54 PolarHBondContact O-N 2.89Å
53	V	30.8	Very low	46.2	Very low	94 Å²	94	108.4 Å²	108.4	57%	0.57	59%	0.588	S	S	*	*			trans	-70.3	120.7	170.8	-176.2	0	0	0	0	107.5	E51 T55	E51-V53 HydrophobicContact CB-CG2 4.27Å; E51-V53 PolarHBondContact O-N 2.91Å; V53-T55 HydrophobicContact CB-CG2 3.98Å; V53-T55 HydrophobicContact CG1-CG2 3.53Å; V53-T55 PolarHBondContact O-N 3.21Å
54	K	28.3	Very low	48.7	Very low	208 Å²	208	98.6 Å²	98.6	90%	0.904	55%	0.545	S	S	*	.			trans	-64.7	78.2	163.7	-69.5	179.9	178.2	178.4	0	108	T52 V56	T52-K54 PolarHBondContact O-N 2.89Å; K54-V56 PolarHBondContact O-N 3.23Å
55	T	33.7	Very low	51.3	Low	101 Å²	101	97.2 Å²	97.2	62%	0.62	53%	0.534	S	S	*	.			trans	-78.6	109.2	174.3	50.7	0	0	0	0	107.5	V53 S57	V53-T55 HydrophobicContact CB-CG2 3.98Å; V53-T55 HydrophobicContact CG1-CG2 3.53Å; V53-T55 PolarHBondContact O-N 3.21Å; T55-S57 PolarHBondContact O-N 3.29Å
56	V	38.5	Very low	54.2	Low	147 Å²	147	95.2 Å²	95.2	89%	0.891	52%	0.517	S	S	*	.			trans	-58	90.1	144.2	177.1	0	0	0	0	103.3	K54 D58	K54-V56 PolarHBondContact O-N 3.23Å; V56-D58 PolarHBondContact O-N 2.99Å; V56-D58 VanDerWaalsContact O-N 3.13Å
57	S	47.6	Very low	57	Low	69 Å²	69	89.5 Å²	89.5	48%	0.483	49%	0.488	S	S	.	.			trans	-55.5	123.5	-171.6	54.1	0	0	0	0	107	T55 V59	T55-S57 PolarHBondContact O-N 3.29Å; S57-V59 VanDerWaalsContact O-CG2 3.3Å; S57-V59 WeakPolarHBondContact O-CG2 3.3Å; S57-V59 PolarHBondContact O-N 3.49Å; S57-V59 WeakPolarHBondContact OG-CG2 3.11Å
58	D	56.3	Low	60	Low	78 Å²	78	82.5 Å²	82.5	42%	0.417	45%	0.452	S	S	.	.			trans	-63.5	84.8	169.6	-137.8	-25.8	0	0	0	106.6	V56 A60 N87 G88	V56-D58 PolarHBondContact O-N 2.99Å; V56-D58 VanDerWaalsContact O-N 3.13Å; D58-A60 PolarHBondContact O-N 3.14Å; D58-A60 VanDerWaalsContact O-N 3.07Å; D58-N87 WeakPolarHBondContact OD2-CA 3.43Å; D58-G88 VanDerWaalsContact OD1-CA 3.24Å; D58-G88 WeakPolarHBondContact OD1-CA 3.32Å; D58-G88 PolarHBondContact OD1-N 3.39Å; D58-G88 VanDerWaalsContact OD2-CA 3.3Å; D58-G88 WeakPolarHBondContact OD2-CA 3.33Å; D58-G88 PolarHBondContact OD2-N 2.97Å
59	V	65	Low	62.7	Low	60 Å²	60	79 Å²	79	36%	0.364	43%	0.432	S	S	.	.			trans	-66.6	113.9	-171.6	178.6	0	0	0	0	106.6	I38 S57 Y61	I38-V59 HydrophobicContact CG2-CG1 3.62Å; S57-V59 VanDerWaalsContact O-CG2 3.3Å; S57-V59 WeakPolarHBondContact O-CG2 3.3Å; S57-V59 PolarHBondContact O-N 3.49Å; S57-V59 WeakPolarHBondContact OG-CG2 3.11Å; V59-Y61 PolarHBondContact O-N 3.36Å
60	A	80.3	Confident	65.5	Low	7 Å²	7	77.7 Å²	77.7	6%	0.058	41%	0.411	C	S	.	.			trans	-61.3	135.9	171.9	0	0	0	0	0	108.9	V39 H41 D58 K85 L86	V39-A60 HydrophobicContact CB-CB 4.04Å; V39-A60 WeakPolarHBondContact CB-O 3.47Å; V39-A60 HydrophobicContact CG1-CB 4.42Å; V39-A60 HydrophobicContact CG2-CB 4.08Å; V39-A60 VanDerWaalsContact CG2-O 3.24Å; V39-A60 WeakPolarHBondContact CG2-O 3.46Å; V39-A60 PolarHBondContact N-O 3.17Å; H41-A60 WeakPolarHBondContact NE2-CB 3.19Å; D58-A60 PolarHBondContact O-N 3.14Å; D58-A60 VanDerWaalsContact O-N 3.07Å; A60-K85 VanDerWaalsContact CA-O 3.26Å; A60-K85 WeakPolarHBondContact CA-O 3.46Å; A60-L86 HydrophobicContact CB-CD2 3.9Å
61	Y	85.6	Confident	68.2	Low	74 Å²	74	70.1 Å²	70.1	29%	0.29	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	152.3	173	82.7	-112.1	0	0	0	110.3	V59 T84 K85	V59-Y61 PolarHBondContact O-N 3.36Å; Y61-T84 VanDerWaalsContact O-CA 3.28Å; Y61-T84 WeakPolarHBondContact O-CA 3.36Å; Y61-K85 HydrophobicContact CD1-CB 3.26Å; Y61-K85 HydrophobicContact CD1-CD 3.84Å; Y61-K85 HydrophobicContact CD1-CG 4.18Å; Y61-K85 HydrophobicContact CE1-CB 3.09Å; Y61-K85 HydrophobicContact CE1-CD 3.49Å; Y61-K85 VanDerWaalsContact CE1-CD 3.49Å; Y61-K85 HydrophobicContact CE1-CG 3.96Å; Y61-K85 HydrophobicContact CE2-CB 4.39Å; Y61-K85 HydrophobicContact CG-CB 4.02Å; Y61-K85 PolarHBondContact N-O 3.12Å; Y61-K85 VanDerWaalsContact N-O 3.16Å; Y61-K85 PolarHBondContact O-N 2.95Å
62	V	91.6	Very high	70.7	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.006	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.6	168.4	56.2	0	0	0	0	109.6	V39 I64 V82 N83 T84 L156 L160	V39-V62 HydrophobicContact CG2-CG1 4.44Å; V62-I64 HydrophobicContact CG2-CG1 4.46Å; V62-V82 HydrophobicContact CG2-CG1 4.4Å; V62-N83 CarbonylContact C-O 3.51Å; V62-N83 WeakPolarHBondContact CA-O 3.4Å; V62-T84 HydrophobicContact CB-CG2 3.91Å; V62-T84 HydrophobicContact CG2-CG2 3.77Å; V62-L156 HydrophobicContact CG1-CB 4.3Å; V62-L156 HydrophobicContact CG2-CB 3.93Å; V62-L156 HydrophobicContact CG2-CD1 3.91Å; V62-L160 HydrophobicContact CB-CD1 4.05Å; V62-L160 HydrophobicContact CG1-CD1 4.3Å
63	K	92.5	Very high	73.4	Confident	31 Å²	31	65 Å²	65	14%	0.135	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124	173.7	-166.6	76.7	-169.9	165.8	0	109.5	P35 T65 N83 E153	P35-K63 PolarHBondContact O-NZ 2.97Å; K63-T65 HydrophobicContact CG-CG2 3.64Å; K63-N83 PolarHBondContact N-O 3.44Å; K63-N83 PolarHBondContact O-N 3.11Å; K63-N83 PolarHBondContact O-ND2 3.09Å; K63-E153 WeakPolarHBondContact CD-OE2 3.42Å; K63-E153 IonicContact NZ-OE1 3.37Å; K63-E153 PolarHBondContact NZ-OE1 3.43Å; K63-E153 IonicContact NZ-OE2 3.91Å
64	I	94.5	Very high	75.7	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	122.6	174.8	-55.9	-170.7	0	0	0	108.1	V62 Y80 R81 V82 F100 R149 L152 E153 L156	V62-I64 HydrophobicContact CG2-CG1 4.46Å; I64-Y80 HydrophobicContact CG2-CD1 4.15Å; I64-Y80 HydrophobicContact CG2-CG 4.18Å; I64-R81 CarbonylContact C-O 3.55Å; I64-R81 VanDerWaalsContact CA-O 3.28Å; I64-R81 WeakPolarHBondContact CA-O 3.42Å; I64-V82 HydrophobicContact CD1-CG2 4.45Å; I64-V82 HydrophobicContact CG1-CG2 4.39Å; I64-F100 HydrophobicContact CD1-CE1 3.87Å; I64-F100 HydrophobicContact CD1-CZ 3.9Å; I64-R149 HydrophobicContact CB-CG 4.07Å; I64-R149 HydrophobicContact CG2-CG 3.65Å; I64-R149 WeakPolarHBondContact O-CD 3.46Å; I64-R149 PolarHBondContact O-NH1 3.25Å; I64-L152 VanDerWaalsContact CD1-C 3.42Å; I64-L152 HydrophobicContact CD1-CB 3.59Å; I64-E153 HydrophobicContact CB-CB 4.2Å; I64-E153 HydrophobicContact CD1-CB 4.1Å; I64-E153 VanDerWaalsContact CD1-N 3.32Å; I64-E153 HydrophobicContact CG1-CB 3.94Å; I64-E153 HydrophobicContact CG1-CG 4.36Å; I64-E153 PolarHBondContact N-OE2 2.85Å; I64-L156 HydrophobicContact CD1-CD1 3.97Å; I64-L156 HydrophobicContact CG1-CD1 4.47Å
65	T	93	Very high	78.2	Confident	34 Å²	34	63 Å²	63	21%	0.209	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	178	-175.7	65.7	0	0	0	0	111.6	K63 R81 N83	K63-T65 HydrophobicContact CG-CG2 3.64Å; T65-R81 PolarHBondContact N-O 3.09Å; T65-R81 WeakPolarHBondContact O-CB 3.48Å; T65-R81 PolarHBondContact O-N 3.42Å; T65-N83 PolarHBondContact OG1-ND2 3.35Å; T65-N83 VanDerWaalsContact OG1-ND2 3.12Å
66	N	88.9	Confident	80.8	Confident	81 Å²	81	58.8 Å²	58.8	43%	0.433	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47	56.6	166.8	-56	4.5	0	0	0	114.4	S25 A68 R81	S25-N66 WeakPolarHBondContact OG-CA 3.5Å; N66-A68 PolarHBondContact O-N 3.29Å; N66-R81 HydrophobicContact CB-CB 4.28Å
67	P	90.9	Very high	83.2	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.019	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	124.9	166.6	24.3	-35.7	0	0	0	110.9	S25 V78 V79 Y80 V145	S25-P67 VanDerWaalsContact CB-CG 3.41Å; S25-P67 WeakPolarHBondContact OG-CD 3.38Å; P67-V78 HydrophobicContact CB-CG1 3.92Å; P67-V79 CarbonylContact C-O 3.54Å; P67-V79 VanDerWaalsContact CA-O 3.25Å; P67-V79 WeakPolarHBondContact CA-O 3.28Å; P67-Y80 HydrophobicContact CB-CD1 4.1Å; P67-Y80 HydrophobicContact CB-CE1 4.11Å; P67-V145 HydrophobicContact CB-CG1 3.22Å; P67-V145 HydrophobicContact CG-CG1 3.65Å
68	A	90.7	Very high	85.3	Confident	12 Å²	12	53.4 Å²	53.4	10%	0.099	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.2	178.7	0	0	0	0	0	110	N66 V78 V79	N66-A68 PolarHBondContact O-N 3.29Å; A68-V78 WeakPolarHBondContact O-CA 3.25Å; A68-V79 HydrophobicContact CB-CG2 3.95Å; A68-V79 PolarHBondContact N-O 3.03Å; A68-V79 WeakPolarHBondContact O-CG2 3.42Å; A68-V79 PolarHBondContact O-N 3.3Å
69	K	90.8	Very high	87.1	Confident	64 Å²	64	50.4 Å²	50.4	28%	0.278	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	126.1	175	-170.5	171.2	-172	155.6	0	109	Y77 E141	K69-Y77 WeakPolarHBondContact CA-O 3.19Å; K69-E141 IonicContact NZ-OE1 2.81Å; K69-E141 PolarHBondContact NZ-OE1 3.46Å; K69-E141 IonicContact NZ-OE2 3.22Å; K69-E141 PolarHBondContact NZ-OE2 3.46Å
70	V	89.3	Confident	88.5	Confident	35 Å²	35	47.6 Å²	47.6	21%	0.212	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.6	179.6	-178.3	0	0	0	0	109.1	S76 Y77 V79	V70-S76 VanDerWaalsContact O-CA 3.3Å; V70-S76 WeakPolarHBondContact O-CA 3.22Å; V70-Y77 HydrophobicContact CB-CD2 4.3Å; V70-Y77 HydrophobicContact CB-CE1 4.19Å; V70-Y77 HydrophobicContact CB-CE2 3.88Å; V70-Y77 HydrophobicContact CG1-CE1 4.04Å; V70-Y77 HydrophobicContact CG1-CE2 4.17Å; V70-Y77 WeakPolarHBondContact CG1-OH 2.98Å; V70-Y77 HydrophobicContact CG2-CE2 4.33Å; V70-Y77 PolarHBondContact N-O 3.01Å; V70-Y77 PolarHBondContact O-N 3.31Å; V70-V79 HydrophobicContact CG2-CB 4.37Å; V70-V79 HydrophobicContact CG2-CG1 3.77Å; V70-V79 HydrophobicContact CG2-CG2 3.7Å
71	G	88.4	Confident	89.3	Confident	47 Å²	47	51.5 Å²	51.5	49%	0.485	29%	0.287	S	S	.	.	S	Bend	trans	76.9	175.4	-178.6	0	0	0	0	0	114.1	S76	G71-S76 WeakPolarHBondContact O-CB 3.22Å
72	E	83.3	Confident	89.8	Confident	156 Å²	156	48 Å²	48	73%	0.729	27%	0.273	S	S	*	.	S	Bend	trans	-120.4	156.7	-175	-64.5	-176.7	174.2	0	0	112.1	S75	E72-S75 PolarHBondContact O-OG 3.11Å
73	G	81.8	Confident	89.9	Confident	62 Å²	62	49.4 Å²	49.4	64%	0.639	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	63.8	-143.5	174.7	0	0	0	0	0	114.5	S75 S76	G73-S75 VanDerWaalsContact C-N 3.27Å; G73-S75 PolarHBondContact O-N 2.82Å; G73-S76 WeakPolarHBondContact O-CB 3.48Å; G73-S76 PolarHBondContact O-N 3.01Å; G73-S76 PolarHBondContact O-OG 3.3Å
74	I	78.3	Confident	90	Very high	167 Å²	167	48 Å²	48	86%	0.856	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-66.9	-26.5	-173.3	63.2	170.3	0	0	0	113.6	S76	I74-S76 VanDerWaalsContact C-N 3.34Å
75	S	82.2	Confident	89.8	Confident	93 Å²	93	50.8 Å²	50.8	65%	0.65	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-86.5	-3.4	-179.6	45.8	0	0	0	0	113.4	E72 G73	E72-S75 PolarHBondContact O-OG 3.11Å; G73-S75 VanDerWaalsContact C-N 3.27Å; G73-S75 PolarHBondContact O-N 2.82Å
76	S	87.4	Confident	89.4	Confident	14 Å²	14	50.6 Å²	50.6	10%	0.098	28%	0.284	C	S	.	.			trans	-62.9	145.6	176.1	63.4	0	0	0	0	112.7	V70 G71 G73 I74	V70-S76 VanDerWaalsContact O-CA 3.3Å; V70-S76 WeakPolarHBondContact O-CA 3.22Å; G71-S76 WeakPolarHBondContact O-CB 3.22Å; G73-S76 WeakPolarHBondContact O-CB 3.48Å; G73-S76 PolarHBondContact O-N 3.01Å; G73-S76 PolarHBondContact O-OG 3.3Å; I74-S76 VanDerWaalsContact C-N 3.34Å
77	Y	88.2	Confident	89.1	Confident	78 Å²	78	53.3 Å²	53.3	31%	0.306	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	164.3	176.9	59.3	-84.6	0	0	0	111.3	K69 V70 V79 R96	K69-Y77 WeakPolarHBondContact CA-O 3.19Å; V70-Y77 HydrophobicContact CB-CD2 4.3Å; V70-Y77 HydrophobicContact CB-CE1 4.19Å; V70-Y77 HydrophobicContact CB-CE2 3.88Å; V70-Y77 HydrophobicContact CG1-CE1 4.04Å; V70-Y77 HydrophobicContact CG1-CE2 4.17Å; V70-Y77 WeakPolarHBondContact CG1-OH 2.98Å; V70-Y77 HydrophobicContact CG2-CE2 4.33Å; V70-Y77 PolarHBondContact N-O 3.01Å; V70-Y77 PolarHBondContact O-N 3.31Å; Y77-V79 HydrophobicContact CD2-CG1 3.81Å; Y77-V79 HydrophobicContact CE2-CG1 3.48Å; Y77-V79 VanDerWaalsContact CE2-CG1 3.48Å; Y77-R96 HydrophobicContact CD2-CB 4Å; Y77-R96 HydrophobicContact CE2-CB 4.43Å
78	V	91.6	Very high	88.7	Confident	25 Å²	25	55.1 Å²	55.1	15%	0.152	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.4	176.8	-179.8	0	0	0	0	109.4	P67 A68 Y80 R96 V145	P67-V78 HydrophobicContact CB-CG1 3.92Å; A68-V78 WeakPolarHBondContact O-CA 3.25Å; V78-Y80 HydrophobicContact CG1-CE1 4.15Å; V78-Y80 HydrophobicContact CG1-CE2 4.09Å; V78-R96 WeakPolarHBondContact O-CB 3.41Å; V78-V145 HydrophobicContact CG1-CG1 4.05Å; V78-V145 HydrophobicContact CG1-CG2 4.39Å; V78-V145 HydrophobicContact CG2-CG2 4.01Å
79	V	94.2	Very high	88.6	Confident	15 Å²	15	61.5 Å²	61.5	9%	0.091	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	150.8	168.7	-60.6	0	0	0	0	109.7	P67 A68 V70 Y77 R96	P67-V79 CarbonylContact C-O 3.54Å; P67-V79 VanDerWaalsContact CA-O 3.25Å; P67-V79 WeakPolarHBondContact CA-O 3.28Å; A68-V79 HydrophobicContact CB-CG2 3.95Å; A68-V79 PolarHBondContact N-O 3.03Å; A68-V79 WeakPolarHBondContact O-CG2 3.42Å; A68-V79 PolarHBondContact O-N 3.3Å; V70-V79 HydrophobicContact CG2-CB 4.37Å; V70-V79 HydrophobicContact CG2-CG1 3.77Å; V70-V79 HydrophobicContact CG2-CG2 3.7Å; Y77-V79 HydrophobicContact CD2-CG1 3.81Å; Y77-V79 HydrophobicContact CE2-CG1 3.48Å; Y77-V79 VanDerWaalsContact CE2-CG1 3.48Å; V79-R96 HydrophobicContact CG1-CB 4.33Å
80	Y	95.4	Very high	88.7	Confident	1 Å²	1	64.1 Å²	64.1	0%	0.004	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140.6	178.2	-55.5	-91.7	0	0	0	108.8	I64 P67 V78 L94 R95 F97 F100 V145 R148 R149 L152	I64-Y80 HydrophobicContact CG2-CD1 4.15Å; I64-Y80 HydrophobicContact CG2-CG 4.18Å; P67-Y80 HydrophobicContact CB-CD1 4.1Å; P67-Y80 HydrophobicContact CB-CE1 4.11Å; V78-Y80 HydrophobicContact CG1-CE1 4.15Å; V78-Y80 HydrophobicContact CG1-CE2 4.09Å; Y80-L94 WeakPolarHBondContact O-CA 3.48Å; Y80-R95 WeakPolarHBondContact CD2-O 3.43Å; Y80-R95 PolarHBondContact N-O 3.15Å; Y80-R95 PolarHBondContact O-N 3.2Å; Y80-F97 HydrophobicContact CE2-CB 4.43Å; Y80-F100 HydrophobicContact CD2-CE2 4.48Å; Y80-V145 HydrophobicContact CE1-CG1 4.16Å; Y80-R148 VanDerWaalsContact OH-CD 3.24Å; Y80-R148 WeakPolarHBondContact OH-CD 3.25Å; Y80-R149 HydrophobicContact CD1-CB 4.08Å; Y80-R149 HydrophobicContact CD1-CG 4.04Å; Y80-R149 HydrophobicContact CE1-CB 3.94Å; Y80-R149 HydrophobicContact CE1-CG 4.41Å; Y80-L152 HydrophobicContact CD2-CD1 4.03Å; Y80-L152 HydrophobicContact CE1-CD1 4.44Å; Y80-L152 HydrophobicContact CE2-CD1 3.9Å; Y80-L152 HydrophobicContact CG-CD1 4.41Å
81	R	96.2	Very high	88.9	Confident	88 Å²	88	65 Å²	65	33%	0.332	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	116	170.8	-176.9	175.6	-68.6	-80.2	-1	109.2	I64 T65 N66 N83 S92 L94	I64-R81 CarbonylContact C-O 3.55Å; I64-R81 VanDerWaalsContact CA-O 3.28Å; I64-R81 WeakPolarHBondContact CA-O 3.42Å; T65-R81 PolarHBondContact N-O 3.09Å; T65-R81 WeakPolarHBondContact O-CB 3.48Å; T65-R81 PolarHBondContact O-N 3.42Å; N66-R81 HydrophobicContact CB-CB 4.28Å; R81-N83 WeakPolarHBondContact CG-OD1 3.36Å; R81-S92 WeakPolarHBondContact CG-OG 3.49Å; R81-S92 PolarHBondContact NH1-OG 2.96Å; R81-L94 HydrophobicContact CB-CD2 4.13Å
82	V	96.3	Very high	89.3	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	107.8	177.1	-178	0	0	0	0	107.9	V62 I64 T84 S92 V93 R95 F100 L156 L175	V62-V82 HydrophobicContact CG2-CG1 4.4Å; I64-V82 HydrophobicContact CD1-CG2 4.45Å; I64-V82 HydrophobicContact CG1-CG2 4.39Å; V82-T84 HydrophobicContact CG1-CG2 4.12Å; V82-S92 WeakPolarHBondContact O-CA 3.48Å; V82-V93 HydrophobicContact CB-CG2 4.08Å; V82-V93 PolarHBondContact N-O 3.25Å; V82-V93 PolarHBondContact O-N 3.48Å; V82-R95 HydrophobicContact CG2-CB 4.1Å; V82-R95 HydrophobicContact CG2-CG 4.04Å; V82-F100 HydrophobicContact CG2-CZ 3.81Å; V82-L156 HydrophobicContact CG1-CD1 3.63Å; V82-L156 HydrophobicContact CG2-CD1 4.44Å; V82-L175 HydrophobicContact CG1-CD2 3.78Å
83	N	95.3	Very high	89.9	Confident	32 Å²	32	58 Å²	58	17%	0.171	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.8	175.8	-49	-74.4	0	0	0	108.6	V62 K63 T65 R81 F91 S92	V62-N83 CarbonylContact C-O 3.51Å; V62-N83 WeakPolarHBondContact CA-O 3.4Å; K63-N83 PolarHBondContact N-O 3.44Å; K63-N83 PolarHBondContact O-N 3.11Å; K63-N83 PolarHBondContact O-ND2 3.09Å; T65-N83 PolarHBondContact OG1-ND2 3.35Å; T65-N83 VanDerWaalsContact OG1-ND2 3.12Å; R81-N83 WeakPolarHBondContact CG-OD1 3.36Å; N83-F91 CarbonylContact C-O 3.58Å; N83-F91 WeakPolarHBondContact CA-O 3.07Å; N83-S92 WeakPolarHBondContact OD1-CB 3.47Å; N83-S92 PolarHBondContact OD1-OG 3.47Å
84	T	93.2	Very high	90.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145.9	179.9	51.8	0	0	0	0	111.6	Y61 V62 V82 E90 F91 L160 L175	Y61-T84 VanDerWaalsContact O-CA 3.28Å; Y61-T84 WeakPolarHBondContact O-CA 3.36Å; V62-T84 HydrophobicContact CB-CG2 3.91Å; V62-T84 HydrophobicContact CG2-CG2 3.77Å; V82-T84 HydrophobicContact CG1-CG2 4.12Å; T84-E90 CarbonylContact O-C 3.52Å; T84-E90 WeakPolarHBondContact O-CA 2.88Å; T84-F91 PolarHBondContact N-O 3.06Å; T84-F91 PolarHBondContact O-N 3.4Å; T84-L160 HydrophobicContact CG2-CD1 4.34Å; T84-L175 HydrophobicContact CG2-CD1 4.22Å; T84-L175 HydrophobicContact CG2-CD2 3.71Å; T84-L175 HydrophobicContact CG2-CG 4.49Å
85	K	90.1	Very high	91.4	Very high	59 Å²	59	51 Å²	51	26%	0.257	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.4	164.7	-174.9	170.7	-173.3	157	0	110.1	A60 Y61 K89 E90	A60-K85 VanDerWaalsContact CA-O 3.26Å; A60-K85 WeakPolarHBondContact CA-O 3.46Å; Y61-K85 HydrophobicContact CD1-CB 3.26Å; Y61-K85 HydrophobicContact CD1-CD 3.84Å; Y61-K85 HydrophobicContact CD1-CG 4.18Å; Y61-K85 HydrophobicContact CE1-CB 3.09Å; Y61-K85 HydrophobicContact CE1-CD 3.49Å; Y61-K85 VanDerWaalsContact CE1-CD 3.49Å; Y61-K85 HydrophobicContact CE1-CG 3.96Å; Y61-K85 HydrophobicContact CE2-CB 4.39Å; Y61-K85 HydrophobicContact CG-CB 4.02Å; Y61-K85 PolarHBondContact N-O 3.12Å; Y61-K85 VanDerWaalsContact N-O 3.16Å; Y61-K85 PolarHBondContact O-N 2.95Å; K85-K89 CarbonylContact C-O 3.55Å; K85-K89 VanDerWaalsContact CA-O 3.23Å; K85-K89 WeakPolarHBondContact CA-O 3.37Å; K85-E90 HydrophobicContact CB-CG 4.1Å; K85-E90 HydrophobicContact CD-CG 4.02Å; K85-E90 HydrophobicContact CG-CG 3.94Å; K85-E90 IonicContact NZ-OE1 3.14Å; K85-E90 PolarHBondContact NZ-OE1 3.32Å; K85-E90 VanDerWaalsContact NZ-OE1 3.14Å
86	L	84.5	Confident	92	Very high	31 Å²	31	48.2 Å²	48.2	16%	0.162	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	121.9	179.2	-62.1	174.9	0	0	0	108.3	A60 G88 K89 L160 L175	A60-L86 HydrophobicContact CB-CD2 3.9Å; L86-G88 PolarHBondContact O-N 3.28Å; L86-K89 PolarHBondContact N-O 3.44Å; L86-K89 PolarHBondContact O-N 3.17Å; L86-L160 HydrophobicContact CD2-CD1 4.44Å; L86-L160 HydrophobicContact CD2-CD2 4.11Å; L86-L175 HydrophobicContact CD1-CD1 4Å
87	N	82.8	Confident	92.2	Very high	138 Å²	138	48.8 Å²	48.8	74%	0.738	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	45.3	178.2	-52.1	-34.5	0	0	0	112.2	D58 K89	D58-N87 WeakPolarHBondContact OD2-CA 3.43Å; N87-K89 PolarHBondContact O-N 3.39Å; N87-K89 VanDerWaalsContact O-N 3.15Å
88	G	83	Confident	92.4	Very high	41 Å²	41	46.2 Å²	46.2	42%	0.423	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	-8.9	174.7	0	0	0	0	0	114.5	D58 L86	D58-G88 VanDerWaalsContact OD1-CA 3.24Å; D58-G88 WeakPolarHBondContact OD1-CA 3.32Å; D58-G88 PolarHBondContact OD1-N 3.39Å; D58-G88 VanDerWaalsContact OD2-CA 3.3Å; D58-G88 WeakPolarHBondContact OD2-CA 3.33Å; D58-G88 PolarHBondContact OD2-N 2.97Å; L86-G88 PolarHBondContact O-N 3.28Å
89	K	89.4	Confident	92.6	Very high	145 Å²	145	45.7 Å²	45.7	63%	0.63	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	137	176.3	-63.4	-176.4	179.6	-178.2	0	110.5	K85 L86 N87 F91	K85-K89 CarbonylContact C-O 3.55Å; K85-K89 VanDerWaalsContact CA-O 3.23Å; K85-K89 WeakPolarHBondContact CA-O 3.37Å; L86-K89 PolarHBondContact N-O 3.44Å; L86-K89 PolarHBondContact O-N 3.17Å; N87-K89 PolarHBondContact O-N 3.39Å; N87-K89 VanDerWaalsContact O-N 3.15Å; K89-F91 HydrophobicContact CB-CE2 3.84Å; K89-F91 HydrophobicContact CB-CZ 3.96Å; K89-F91 HydrophobicContact CD-CZ 4.29Å
90	E	92.5	Very high	92.7	Very high	120 Å²	120	45 Å²	45	56%	0.561	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.6	178.2	-62.8	-177.1	178.5	0	0	109.7	T84 K85	T84-E90 CarbonylContact O-C 3.52Å; T84-E90 WeakPolarHBondContact O-CA 2.88Å; K85-E90 HydrophobicContact CB-CG 4.1Å; K85-E90 HydrophobicContact CD-CG 4.02Å; K85-E90 HydrophobicContact CG-CG 3.94Å; K85-E90 IonicContact NZ-OE1 3.14Å; K85-E90 PolarHBondContact NZ-OE1 3.32Å; K85-E90 VanDerWaalsContact NZ-OE1 3.14Å
91	F	94.1	Very high	92.6	Very high	52 Å²	52	45.1 Å²	45.1	23%	0.228	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.2	177.9	-55.8	-83.4	0	0	0	108.8	N83 T84 K89 Q176	N83-F91 CarbonylContact C-O 3.58Å; N83-F91 WeakPolarHBondContact CA-O 3.07Å; T84-F91 PolarHBondContact N-O 3.06Å; T84-F91 PolarHBondContact O-N 3.4Å; K89-F91 HydrophobicContact CB-CE2 3.84Å; K89-F91 HydrophobicContact CB-CZ 3.96Å; K89-F91 HydrophobicContact CD-CZ 4.29Å; F91-Q176 HydrophobicContact CD1-CB 4.09Å; F91-Q176 HydrophobicContact CD1-CG 3.78Å; F91-Q176 HydrophobicContact CD2-CG 4.14Å; F91-Q176 HydrophobicContact CE1-CB 4.1Å; F91-Q176 HydrophobicContact CE1-CG 3.66Å; F91-Q176 HydrophobicContact CE2-CG 4.04Å; F91-Q176 HydrophobicContact CG-CG 4.02Å; F91-Q176 HydrophobicContact CZ-CG 3.79Å
92	S	95.4	Very high	92.5	Very high	52 Å²	52	41 Å²	41	36%	0.364	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	111.3	174	-169.6	0	0	0	0	108.7	R81 V82 N83	R81-S92 WeakPolarHBondContact CG-OG 3.49Å; R81-S92 PolarHBondContact NH1-OG 2.96Å; V82-S92 WeakPolarHBondContact O-CA 3.48Å; N83-S92 WeakPolarHBondContact OD1-CB 3.47Å; N83-S92 PolarHBondContact OD1-OG 3.47Å
93	V	96	Very high	92.5	Very high	5 Å²	5	41 Å²	41	3%	0.03	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	154.8	-176.7	-63.1	0	0	0	0	111.4	V82 R95 L175	V82-V93 HydrophobicContact CB-CG2 4.08Å; V82-V93 PolarHBondContact N-O 3.25Å; V82-V93 PolarHBondContact O-N 3.48Å; V93-R95 HydrophobicContact CG2-CG 4.21Å; V93-L175 WeakPolarHBondContact CG1-O 3.28Å; V93-L175 WeakPolarHBondContact CG2-O 3.4Å
94	L	96	Very high	92.6	Very high	79 Å²	79	40.7 Å²	40.7	41%	0.414	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.5	175.2	-64.2	177.8	0	0	0	110.5	Y80 R81	Y80-L94 WeakPolarHBondContact O-CA 3.48Å; R81-L94 HydrophobicContact CB-CD2 4.13Å
95	R	96.1	Very high	92.7	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	137	-179.9	-62.6	-65.2	178.4	-106.9	5	110.9	Y80 V82 V93 F100 E173 F174 H177 G179	Y80-R95 WeakPolarHBondContact CD2-O 3.43Å; Y80-R95 PolarHBondContact N-O 3.15Å; Y80-R95 PolarHBondContact O-N 3.2Å; V82-R95 HydrophobicContact CG2-CB 4.1Å; V82-R95 HydrophobicContact CG2-CG 4.04Å; V93-R95 HydrophobicContact CG2-CG 4.21Å; R95-F100 HydrophobicContact CB-CD2 4.42Å; R95-F100 HydrophobicContact CB-CE2 3.67Å; R95-F100 HydrophobicContact CB-CZ 4.19Å; R95-E173 PolarHBondContact NH2-O 3Å; R95-F174 HydrophobicContact CB-CE2 4.19Å; R95-F174 HydrophobicContact CB-CZ 3.89Å; R95-F174 HydrophobicContact CG-CD2 4.49Å; R95-F174 HydrophobicContact CG-CE1 4.06Å; R95-F174 HydrophobicContact CG-CE2 3.84Å; R95-F174 HydrophobicContact CG-CZ 3.58Å; R95-F174 PolarHBondContact NE-O 3.24Å; R95-F174 PolarHBondContact NH2-O 3.06Å; R95-H177 PolarHBondContact NH1-O 3.35Å; R95-H177 VanDerWaalsContact NH1-O 3.11Å; R95-H177 PolarHBondContact NH2-O 3.44Å; R95-G179 PolarHBondContact NH1-O 2.85Å
96	R	93.6	Very high	93	Very high	35 Å²	35	43.4 Å²	43.4	13%	0.132	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	162.3	171	54.9	172.5	-168.7	172.2	17.2	110.3	Y77 V78 V79 S98 D99 F100	Y77-R96 HydrophobicContact CD2-CB 4Å; Y77-R96 HydrophobicContact CE2-CB 4.43Å; V78-R96 WeakPolarHBondContact O-CB 3.41Å; V79-R96 HydrophobicContact CG1-CB 4.33Å; R96-S98 VanDerWaalsContact C-N 3.27Å; R96-S98 VanDerWaalsContact CD-OG 3.27Å; R96-S98 WeakPolarHBondContact CD-OG 3.48Å; R96-S98 PolarHBondContact NE-OG 3.05Å; R96-S98 PolarHBondContact NH2-OG 3.29Å; R96-S98 PolarHBondContact O-N 3.46Å; R96-S98 VanDerWaalsContact O-N 3.14Å; R96-D99 VanDerWaalsContact CG-OD1 3.26Å; R96-D99 WeakPolarHBondContact CG-OD1 3.38Å; R96-D99 WeakPolarHBondContact CG-OD2 3.31Å; R96-D99 IonicContact CZ-OD1 2.81Å; R96-D99 PolarHBondContact N-OD2 3.49Å; R96-D99 IonicContact NE-OD1 3.14Å; R96-D99 PolarHBondContact NE-OD1 3.45Å; R96-D99 IonicContact NH2-OD1 3.65Å; R96-D99 WeakPolarHBondContact O-CB 3.29Å; R96-D99 PolarHBondContact O-N 2.73Å; R96-F100 VanDerWaalsContact O-CD2 3.31Å; R96-F100 WeakPolarHBondContact O-CD2 3.43Å
97	F	92.8	Very high	93.6	Very high	26 Å²	26	42 Å²	42	11%	0.114	22%	0.215	C	C	.	.	H	α-helix	trans	-52.7	-39.5	-177.7	177.5	-117.2	0	0	0	114.4	Y80 D99 F100 L101 V121 P122 K124 R148 L152	Y80-F97 HydrophobicContact CE2-CB 4.43Å; F97-D99 PolarHBondContact O-N 2.79Å; F97-F100 WeakPolarHBondContact O-CB 3.49Å; F97-F100 PolarHBondContact O-N 3.19Å; F97-L101 HydrophobicContact CD1-CD1 4.14Å; F97-L101 HydrophobicContact CD1-CG 4.4Å; F97-L101 HydrophobicContact CE1-CD1 3.72Å; F97-L101 HydrophobicContact CE1-CD2 4.12Å; F97-L101 HydrophobicContact CE1-CG 4.02Å; F97-L101 HydrophobicContact CE2-CD2 4.22Å; F97-L101 HydrophobicContact CZ-CD1 4.22Å; F97-L101 HydrophobicContact CZ-CD2 3.74Å; F97-L101 HydrophobicContact CZ-CG 4.09Å; F97-L101 PolarHBondContact O-N 2.61Å; F97-V121 HydrophobicContact CE2-CG2 4.44Å; F97-P122 HydrophobicContact CE2-CB 4.46Å; F97-P122 WeakPolarHBondContact CZ-O 3.2Å; F97-K124 HydrophobicContact CE1-CB 4.16Å; F97-K124 HydrophobicContact CE1-CG 4.28Å; F97-R148 HydrophobicContact CD2-CG 4.24Å; F97-L152 HydrophobicContact CD2-CD1 4.27Å; F97-L152 HydrophobicContact CD2-CD2 3.93Å; F97-L152 HydrophobicContact CE2-CD2 4.13Å
98	S	92	Very high	94.3	Very high	25 Å²	25	37.3 Å²	37.3	18%	0.175	19%	0.192	C	C	.	.	H	α-helix	trans	-66.6	-20.8	178.4	52	0	0	0	0	114.1	R96 L101 G102	R96-S98 VanDerWaalsContact C-N 3.27Å; R96-S98 VanDerWaalsContact CD-OG 3.27Å; R96-S98 WeakPolarHBondContact CD-OG 3.48Å; R96-S98 PolarHBondContact NE-OG 3.05Å; R96-S98 PolarHBondContact NH2-OG 3.29Å; R96-S98 PolarHBondContact O-N 3.46Å; R96-S98 VanDerWaalsContact O-N 3.14Å; S98-L101 PolarHBondContact O-N 3.01Å; S98-G102 PolarHBondContact O-N 3.45Å
99	D	94.9	Very high	94.9	Very high	14 Å²	14	40.4 Å²	40.4	8%	0.075	20%	0.203	C	C	.	.	H	α-helix	trans	-73.3	-37.5	177	-51.4	-19.8	0	0	0	109.8	R96 F97 G102 L103 F174 L181	R96-D99 VanDerWaalsContact CG-OD1 3.26Å; R96-D99 WeakPolarHBondContact CG-OD1 3.38Å; R96-D99 WeakPolarHBondContact CG-OD2 3.31Å; R96-D99 IonicContact CZ-OD1 2.81Å; R96-D99 PolarHBondContact N-OD2 3.49Å; R96-D99 IonicContact NE-OD1 3.14Å; R96-D99 PolarHBondContact NE-OD1 3.45Å; R96-D99 IonicContact NH2-OD1 3.65Å; R96-D99 WeakPolarHBondContact O-CB 3.29Å; R96-D99 PolarHBondContact O-N 2.73Å; F97-D99 PolarHBondContact O-N 2.79Å; D99-G102 PolarHBondContact O-N 2.95Å; D99-L103 PolarHBondContact O-N 3.01Å; D99-F174 HydrophobicContact CB-CE2 3.89Å; D99-L181 HydrophobicContact CB-CD1 4.24Å
100	F	96.2	Very high	95.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.8	-40.9	171.5	-65.1	-102.3	0	0	0	111.7	I64 Y80 V82 R95 R96 F97 G102 L103 H104 V121 L152 F155 L156 F174	I64-F100 HydrophobicContact CD1-CE1 3.87Å; I64-F100 HydrophobicContact CD1-CZ 3.9Å; Y80-F100 HydrophobicContact CD2-CE2 4.48Å; V82-F100 HydrophobicContact CG2-CZ 3.81Å; R95-F100 HydrophobicContact CB-CD2 4.42Å; R95-F100 HydrophobicContact CB-CE2 3.67Å; R95-F100 HydrophobicContact CB-CZ 4.19Å; R96-F100 VanDerWaalsContact O-CD2 3.31Å; R96-F100 WeakPolarHBondContact O-CD2 3.43Å; F97-F100 WeakPolarHBondContact O-CB 3.49Å; F97-F100 PolarHBondContact O-N 3.19Å; F100-G102 VanDerWaalsContact C-N 3.31Å; F100-G102 PolarHBondContact O-N 2.89Å; F100-L103 PolarHBondContact O-N 2.96Å; F100-H104 WeakPolarHBondContact O-CB 3.05Å; F100-H104 PolarHBondContact O-N 3.04Å; F100-V121 HydrophobicContact CB-CG2 4.05Å; F100-L152 HydrophobicContact CB-CD2 3.89Å; F100-L152 HydrophobicContact CD1-CB 4.3Å; F100-L152 HydrophobicContact CD1-CD2 3.66Å; F100-L152 HydrophobicContact CD1-CG 4.41Å; F100-L152 HydrophobicContact CD2-CD1 4.2Å; F100-L152 HydrophobicContact CD2-CD2 4.09Å; F100-L152 HydrophobicContact CE1-CB 3.92Å; F100-L152 HydrophobicContact CE1-CD1 4.45Å; F100-L152 HydrophobicContact CE1-CD2 4.11Å; F100-L152 HydrophobicContact CE1-CG 4.38Å; F100-L152 HydrophobicContact CE2-CD1 4.01Å; F100-L152 HydrophobicContact CG-CD2 3.64Å; F100-L152 HydrophobicContact CZ-CB 4.26Å; F100-L152 HydrophobicContact CZ-CD1 4.14Å; F100-F155 HydrophobicContact CD1-CD1 4.02Å; F100-F155 HydrophobicContact CD1-CE1 4.15Å; F100-L156 HydrophobicContact CD1-CD2 4.45Å; F100-L156 HydrophobicContact CD1-CG 4.34Å; F100-L156 HydrophobicContact CE1-CD1 3.69Å; F100-L156 HydrophobicContact CE1-CD2 4.34Å; F100-L156 HydrophobicContact CE1-CG 3.88Å; F100-L156 HydrophobicContact CZ-CD1 4.44Å; F100-F174 HydrophobicContact CD1-CE1 4.32Å; F100-F174 HydrophobicContact CD1-CE2 4.47Å; F100-F174 AromaticContact CD1-CZ 3.67Å; F100-F174 HydrophobicContact CD1-CZ 3.67Å; F100-F174 HydrophobicContact CD2-CE2 4.36Å; F100-F174 AromaticContact CD2-CZ 3.94Å; F100-F174 HydrophobicContact CD2-CZ 3.94Å; F100-F174 HydrophobicContact CE1-CE1 4.06Å; F100-F174 AromaticContact CE1-CZ 3.64Å; F100-F174 HydrophobicContact CE1-CZ 3.64Å; F100-F174 AromaticContact CE2-CZ 3.88Å; F100-F174 HydrophobicContact CE2-CZ 3.88Å; F100-F174 HydrophobicContact CG-CE2 4.28Å; F100-F174 AromaticContact CG-CZ 3.83Å; F100-F174 HydrophobicContact CG-CZ 3.83Å; F100-F174 HydrophobicContact CZ-CE1 4.34Å; F100-F174 AromaticContact CZ-CZ 3.73Å; F100-F174 HydrophobicContact CZ-CZ 3.73Å
101	L	94.5	Very high	95.6	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-43.5	173.5	-65	-175.8	0	0	0	111.3	F97 S98 H104 E105 V121 T187 L190	F97-L101 HydrophobicContact CD1-CD1 4.14Å; F97-L101 HydrophobicContact CD1-CG 4.4Å; F97-L101 HydrophobicContact CE1-CD1 3.72Å; F97-L101 HydrophobicContact CE1-CD2 4.12Å; F97-L101 HydrophobicContact CE1-CG 4.02Å; F97-L101 HydrophobicContact CE2-CD2 4.22Å; F97-L101 HydrophobicContact CZ-CD1 4.22Å; F97-L101 HydrophobicContact CZ-CD2 3.74Å; F97-L101 HydrophobicContact CZ-CG 4.09Å; F97-L101 PolarHBondContact O-N 2.61Å; S98-L101 PolarHBondContact O-N 3.01Å; L101-H104 PolarHBondContact O-N 3.29Å; L101-E105 WeakPolarHBondContact O-CB 3.48Å; L101-E105 PolarHBondContact O-N 2.94Å; L101-V121 HydrophobicContact CD2-CB 4.43Å; L101-V121 HydrophobicContact CD2-CG1 3.6Å; L101-V121 HydrophobicContact CD2-CG2 3.91Å; L101-T187 HydrophobicContact CB-CG2 3.58Å; L101-T187 HydrophobicContact CD1-CG2 4.28Å; L101-L190 HydrophobicContact CB-CD1 3.79Å; L101-L190 HydrophobicContact CD2-CD1 3.84Å; L101-L190 HydrophobicContact CG-CD1 4.25Å
102	G	94.3	Very high	95.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-64.5	-43.5	177	0	0	0	0	0	113	S98 D99 F100 E105 R106	S98-G102 PolarHBondContact O-N 3.45Å; D99-G102 PolarHBondContact O-N 2.95Å; F100-G102 VanDerWaalsContact C-N 3.31Å; F100-G102 PolarHBondContact O-N 2.89Å; G102-E105 PolarHBondContact O-N 2.98Å; G102-R106 WeakPolarHBondContact O-CG 3.45Å; G102-R106 PolarHBondContact O-N 3.3Å; G102-R106 PolarHBondContact O-NH1 2.92Å
103	L	96.4	Very high	95.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.1	-51.4	173.7	175.7	63	0	0	0	110.7	D99 F100 E105 R106 L107 F155 L156 D170 V171 F174	D99-L103 PolarHBondContact O-N 3.01Å; F100-L103 PolarHBondContact O-N 2.96Å; L103-E105 VanDerWaalsContact C-N 3.34Å; L103-E105 PolarHBondContact O-N 3.3Å; L103-R106 PolarHBondContact O-N 3.42Å; L103-L107 HydrophobicContact CD1-CD1 4.22Å; L103-L107 HydrophobicContact CD1-CG 4.16Å; L103-L107 HydrophobicContact CG-CD1 4.2Å; L103-L107 HydrophobicContact CG-CG 4.47Å; L103-L107 WeakPolarHBondContact O-CG 3.21Å; L103-L107 PolarHBondContact O-N 2.67Å; L103-F155 HydrophobicContact CD2-CE1 4.26Å; L103-F155 HydrophobicContact CD2-CZ 4.46Å; L103-L156 HydrophobicContact CD2-CD2 4.25Å; L103-D170 HydrophobicContact CD1-CB 3.84Å; L103-V171 HydrophobicContact CD1-CG2 4Å; L103-F174 HydrophobicContact CB-CD2 4.15Å; L103-F174 HydrophobicContact CD1-CB 4.32Å; L103-F174 HydrophobicContact CD2-CB 4.1Å; L103-F174 HydrophobicContact CD2-CD1 3.91Å; L103-F174 HydrophobicContact CD2-CD2 4.04Å; L103-F174 HydrophobicContact CD2-CE1 4.38Å; L103-F174 HydrophobicContact CD2-CE2 4.47Å; L103-F174 HydrophobicContact CD2-CG 3.73Å
104	H	96.5	Very high	95.8	Very high	26 Å²	26	35.6 Å²	35.6	12%	0.12	18%	0.18	C	C	.	.	H	α-helix	trans	-57	-45.5	178.5	177.8	-80	0	0	0	112.1	F100 L101 R106 L107 V108 P119 V121 F155	F100-H104 WeakPolarHBondContact O-CB 3.05Å; F100-H104 PolarHBondContact O-N 3.04Å; L101-H104 PolarHBondContact O-N 3.29Å; H104-R106 PolarHBondContact O-N 2.99Å; H104-L107 PolarHBondContact O-N 3.08Å; H104-V108 WeakPolarHBondContact O-CG2 3.49Å; H104-V108 PolarHBondContact O-N 3.27Å; H104-P119 PolarHBondContact CD2-O 2.95Å; H104-P119 PolarHBondContact NE2-O 3.47Å; H104-V121 HydrophobicContact CB-CB 4.08Å; H104-V121 HydrophobicContact CB-CG1 3.95Å; H104-V121 PolarHBondContact CD2-N 3.13Å; H104-F155 HydrophobicContact CB-CE2 4.46Å; H104-F155 HydrophobicContact CB-CZ 4.22Å; H104-F155 AromaticContact CD2-CE2 3.97Å
105	E	95	Very high	95.9	Very high	44 Å²	44	31.8 Å²	31.8	21%	0.206	16%	0.16	C	C	.	.	H	α-helix	trans	-59.6	-43.2	177.2	-174.7	-180	178.6	0	0	112.3	L101 G102 L103 T109 N186	L101-E105 WeakPolarHBondContact O-CB 3.48Å; L101-E105 PolarHBondContact O-N 2.94Å; G102-E105 PolarHBondContact O-N 2.98Å; L103-E105 VanDerWaalsContact C-N 3.34Å; L103-E105 PolarHBondContact O-N 3.3Å; E105-T109 WeakPolarHBondContact O-CB 3.45Å; E105-T109 PolarHBondContact O-N 3.36Å; E105-T109 PolarHBondContact O-OG1 2.97Å; E105-N186 WeakPolarHBondContact OE1-CB 3.43Å; E105-N186 PolarHBondContact OE1-ND2 3.5Å
106	R	96.3	Very high	96	Very high	72 Å²	72	32.1 Å²	32.1	27%	0.272	16%	0.163	S	C	.	.	H	α-helix	trans	-64.6	-44.8	177.2	-69.9	-165.7	-61.4	-84.6	10.1	111.8	G102 L103 H104 T109 K110 D170	G102-R106 WeakPolarHBondContact O-CG 3.45Å; G102-R106 PolarHBondContact O-N 3.3Å; G102-R106 PolarHBondContact O-NH1 2.92Å; L103-R106 PolarHBondContact O-N 3.42Å; H104-R106 PolarHBondContact O-N 2.99Å; R106-T109 PolarHBondContact O-N 3.42Å; R106-K110 WeakPolarHBondContact O-CB 3.44Å; R106-K110 WeakPolarHBondContact O-CG 3.49Å; R106-K110 PolarHBondContact O-N 3.12Å; R106-D170 WeakPolarHBondContact CD-OD1 3.33Å; R106-D170 IonicContact CZ-OD1 2.72Å; R106-D170 IonicContact NE-OD1 3.02Å; R106-D170 PolarHBondContact NE-OD1 3.08Å; R106-D170 IonicContact NE-OD2 3.66Å; R106-D170 IonicContact NH2-OD1 2.68Å
107	L	97.7	Very high	96.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.7	-45.5	176.9	-64.4	-177.8	0	0	0	112	L103 H104 T109 K110 Y111 V118 V159 L165 D168 V171	L103-L107 HydrophobicContact CD1-CD1 4.22Å; L103-L107 HydrophobicContact CD1-CG 4.16Å; L103-L107 HydrophobicContact CG-CD1 4.2Å; L103-L107 HydrophobicContact CG-CG 4.47Å; L103-L107 WeakPolarHBondContact O-CG 3.21Å; L103-L107 PolarHBondContact O-N 2.67Å; H104-L107 PolarHBondContact O-N 3.08Å; L107-T109 VanDerWaalsContact C-N 3.32Å; L107-T109 PolarHBondContact O-N 2.84Å; L107-K110 PolarHBondContact O-N 3.4Å; L107-Y111 HydrophobicContact CB-CD2 4.47Å; L107-Y111 HydrophobicContact CD2-CD2 4.17Å; L107-Y111 HydrophobicContact CD2-CE2 3.94Å; L107-Y111 WeakPolarHBondContact O-CB 3.32Å; L107-Y111 WeakPolarHBondContact O-CD2 3.34Å; L107-Y111 PolarHBondContact O-N 3.01Å; L107-V118 HydrophobicContact CB-CG1 3.88Å; L107-V118 HydrophobicContact CB-CG2 4.25Å; L107-V118 HydrophobicContact CD1-CG1 4.45Å; L107-V159 HydrophobicContact CD1-CG1 4.28Å; L107-V159 HydrophobicContact CD1-CG2 4.44Å; L107-L165 HydrophobicContact CD1-CD2 4.47Å; L107-L165 HydrophobicContact CD2-CD2 4.27Å; L107-D168 HydrophobicContact CD2-CB 4.23Å; L107-V171 HydrophobicContact CD1-CG2 4.04Å; L107-V171 HydrophobicContact CD2-CG2 4.07Å
108	V	97.2	Very high	96.4	Very high	41 Å²	41	30 Å²	30	25%	0.248	16%	0.155	C	C	.	.	H	α-helix	trans	-60.4	-44.5	175.8	170.5	0	0	0	0	110.7	H104 K110 L112 V118	H104-V108 WeakPolarHBondContact O-CG2 3.49Å; H104-V108 PolarHBondContact O-N 3.27Å; V108-K110 VanDerWaalsContact C-N 3.33Å; V108-K110 PolarHBondContact O-N 2.81Å; V108-L112 HydrophobicContact CG1-CB 4.16Å; V108-L112 HydrophobicContact CG1-CD2 4.01Å; V108-L112 WeakPolarHBondContact O-CB 3.34Å; V108-L112 PolarHBondContact O-N 3.2Å; V108-V118 HydrophobicContact CG2-CB 3.98Å; V108-V118 HydrophobicContact CG2-CG1 3.99Å; V108-V118 HydrophobicContact CG2-CG2 4.21Å
109	T	96.4	Very high	96.5	Very high	106 Å²	106	29 Å²	29	65%	0.65	15%	0.148	S	C	*	.	H	α-helix	trans	-61.9	-40.7	179.4	-58.9	0	0	0	0	112.1	E105 R106 L107	E105-T109 WeakPolarHBondContact O-CB 3.45Å; E105-T109 PolarHBondContact O-N 3.36Å; E105-T109 PolarHBondContact O-OG1 2.97Å; R106-T109 PolarHBondContact O-N 3.42Å; L107-T109 VanDerWaalsContact C-N 3.32Å; L107-T109 PolarHBondContact O-N 2.84Å
110	K	97.3	Very high	96.5	Very high	70 Å²	70	29.4 Å²	29.4	30%	0.304	15%	0.152	S	C	.	.	H	α-helix	trans	-74.6	-40.7	-179.8	-74.3	177.9	169.5	-176.5	0	113	R106 L107 V108 D168 E169 D170	R106-K110 WeakPolarHBondContact O-CB 3.44Å; R106-K110 WeakPolarHBondContact O-CG 3.49Å; R106-K110 PolarHBondContact O-N 3.12Å; L107-K110 PolarHBondContact O-N 3.4Å; V108-K110 VanDerWaalsContact C-N 3.33Å; V108-K110 PolarHBondContact O-N 2.81Å; K110-D168 IonicContact NZ-OD1 3.92Å; K110-D168 IonicContact NZ-OD2 3.99Å; K110-E169 IonicContact NZ-OE1 3.63Å; K110-E169 PolarHBondContact NZ-OE1 3.11Å; K110-D170 WeakPolarHBondContact CE-OD2 3.42Å; K110-D170 IonicContact NZ-OD2 2.9Å; K110-D170 PolarHBondContact NZ-OD2 3.42Å
111	Y	98.1	Very high	96.4	Very high	43 Å²	43	30.4 Å²	30.4	17%	0.169	16%	0.157	C	C	.	.	H	α-helix	trans	-116.8	-12.6	-161.3	-63.7	-72.9	0	0	0	115.7	L107 S113 E114 G115 V116 V164 L165 D168	L107-Y111 HydrophobicContact CB-CD2 4.47Å; L107-Y111 HydrophobicContact CD2-CD2 4.17Å; L107-Y111 HydrophobicContact CD2-CE2 3.94Å; L107-Y111 WeakPolarHBondContact O-CB 3.32Å; L107-Y111 WeakPolarHBondContact O-CD2 3.34Å; L107-Y111 PolarHBondContact O-N 3.01Å; Y111-S113 PolarHBondContact O-N 3.32Å; Y111-E114 CarbonylContact O-C 3.43Å; Y111-E114 PolarHBondContact O-N 3.07Å; Y111-E114 VanDerWaalsContact O-N 3.11Å; Y111-G115 PolarHBondContact O-N 3.33Å; Y111-V116 HydrophobicContact CD1-CG2 4.16Å; Y111-V116 HydrophobicContact CG-CG2 4.43Å; Y111-V116 PolarHBondContact O-N 2.98Å; Y111-V164 HydrophobicContact CD1-CG1 4.12Å; Y111-V164 HydrophobicContact CE1-CG1 3.57Å; Y111-L165 HydrophobicContact CD2-CD2 3.64Å; Y111-L165 HydrophobicContact CE2-CD2 3.98Å; Y111-L165 HydrophobicContact CG-CD2 4.11Å; Y111-D168 HydrophobicContact CE2-CB 4.32Å; Y111-D168 VanDerWaalsContact CE2-OD2 3.24Å; Y111-D168 WeakPolarHBondContact CE2-OD2 3.4Å; Y111-D168 VanDerWaalsContact CZ-OD2 3.29Å; Y111-D168 PolarHBondContact OH-OD2 3.09Å
112	L	97.6	Very high	96	Very high	39 Å²	39	31.3 Å²	31.3	20%	0.204	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-61.7	-45.4	178.8	179.4	61.8	0	0	0	111.6	V108 E114 G115 D324 V325 E328	V108-L112 HydrophobicContact CG1-CB 4.16Å; V108-L112 HydrophobicContact CG1-CD2 4.01Å; V108-L112 WeakPolarHBondContact O-CB 3.34Å; V108-L112 PolarHBondContact O-N 3.2Å; L112-E114 PolarHBondContact O-N 2.96Å; L112-G115 PolarHBondContact O-N 3.44Å; L112-D324 HydrophobicContact CD1-CB 4.22Å; L112-V325 HydrophobicContact CD1-CG1 3.86Å; L112-E328 HydrophobicContact CD1-CB 4.24Å; L112-E328 HydrophobicContact CG-CB 4.19Å; L112-E328 HydrophobicContact CG-CG 4.09Å; L112-E328 WeakPolarHBondContact O-CG 3.44Å
113	S	95.7	Very high	95.2	Very high	42 Å²	42	34.5 Å²	34.5	29%	0.294	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-66.8	-17.2	177	58.3	0	0	0	0	114	Y111 G115 I332	Y111-S113 PolarHBondContact O-N 3.32Å; S113-G115 VanDerWaalsContact C-N 3.35Å; S113-I332 WeakPolarHBondContact O-CD1 3.33Å
114	E	97.4	Very high	94.2	Very high	78 Å²	78	37.3 Å²	37.3	36%	0.364	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-91.2	-2.7	174.4	-57.5	-53.5	132.9	0	0	112	Y111 L112 V116 N391	Y111-E114 CarbonylContact O-C 3.43Å; Y111-E114 PolarHBondContact O-N 3.07Å; Y111-E114 VanDerWaalsContact O-N 3.11Å; L112-E114 PolarHBondContact O-N 2.96Å; E114-V116 HydrophobicContact CB-CG2 4.47Å; E114-N391 WeakPolarHBondContact O-CB 3.46Å; E114-N391 PolarHBondContact O-ND2 3.14Å
115	G	97.4	Very high	92.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	12.9	175.5	0	0	0	0	0	115.5	Y111 L112 S113 E395	Y111-G115 PolarHBondContact O-N 3.33Å; L112-G115 PolarHBondContact O-N 3.44Å; S113-G115 VanDerWaalsContact C-N 3.35Å; G115-E395 WeakPolarHBondContact O-CG 3.22Å
116	V	98.1	Very high	91.3	Very high	9 Å²	9	42.1 Å²	42.1	6%	0.055	22%	0.224	C	C	.	.			trans	-79.3	135.1	-179.8	-179	0	0	0	0	110.8	Y111 E114 V118 H162 L165 V325	Y111-V116 HydrophobicContact CD1-CG2 4.16Å; Y111-V116 HydrophobicContact CG-CG2 4.43Å; Y111-V116 PolarHBondContact O-N 2.98Å; E114-V116 HydrophobicContact CB-CG2 4.47Å; V116-V118 PolarHBondContact O-N 3.07Å; V116-H162 WeakPolarHBondContact CG1-NE2 3.45Å; V116-L165 HydrophobicContact CG1-CD1 4.5Å; V116-L165 HydrophobicContact CG1-CD2 4.07Å; V116-L165 HydrophobicContact CG1-CG 4.28Å; V116-V325 WeakPolarHBondContact O-CG1 3.45Å
117	I	97.2	Very high	89.4	Confident	7 Å²	7	44.1 Å²	44.1	4%	0.036	24%	0.239	C	C	.	.			trans	-84.3	99.6	177	-59.7	169	0	0	0	108.8	P119 M318 A321 V325 E395 F396 F399	I117-P119 WeakPolarHBondContact O-CD 3.41Å; I117-M318 HydrophobicContact CG2-CE 4.15Å; I117-A321 HydrophobicContact CG2-CB 3.92Å; I117-V325 HydrophobicContact CG1-CG1 4.21Å; I117-V325 HydrophobicContact CG1-CG2 4.01Å; I117-E395 HydrophobicContact CD1-CB 3.79Å; I117-E395 HydrophobicContact CG1-CB 3.98Å; I117-E395 PolarHBondContact N-OE2 2.86Å; I117-F396 HydrophobicContact CD1-CD2 3.96Å; I117-F396 HydrophobicContact CD1-CE2 4.04Å; I117-F399 HydrophobicContact CD1-CB 4.41Å
118	V	97.2	Very high	87.9	Confident	9 Å²	9	45.1 Å²	45.1	6%	0.055	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-76.1	124.1	175.9	-177.2	0	0	0	0	109.7	L107 V108 V116 A321	L107-V118 HydrophobicContact CB-CG1 3.88Å; L107-V118 HydrophobicContact CB-CG2 4.25Å; L107-V118 HydrophobicContact CD1-CG1 4.45Å; V108-V118 HydrophobicContact CG2-CB 3.98Å; V108-V118 HydrophobicContact CG2-CG1 3.99Å; V108-V118 HydrophobicContact CG2-CG2 4.21Å; V116-V118 PolarHBondContact O-N 3.07Å; V118-A321 WeakPolarHBondContact O-CB 3.34Å
119	P	95.8	Very high	86.6	Confident	4 Å²	4	44.9 Å²	44.9	3%	0.026	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-58.2	140.8	178	-25.7	35	0	0	0	112.1	H104 I117 F155 R158 V159 M318	H104-P119 PolarHBondContact CD2-O 2.95Å; H104-P119 PolarHBondContact NE2-O 3.47Å; I117-P119 WeakPolarHBondContact O-CD 3.41Å; P119-F155 HydrophobicContact CB-CD2 4.11Å; P119-F155 HydrophobicContact CB-CE2 4.42Å; P119-F155 WeakPolarHBondContact O-CD2 3.45Å; P119-F155 WeakPolarHBondContact O-CE2 2.91Å; P119-R158 HydrophobicContact CB-CB 3.73Å; P119-R158 HydrophobicContact CG-CB 3.58Å; P119-V159 HydrophobicContact CB-CG2 4.42Å; P119-V159 HydrophobicContact CG-CG2 4.07Å; P119-M318 HydrophobicContact CB-SD 4.27Å
120	P	95	Very high	85.2	Confident	23 Å²	23	43.1 Å²	43.1	15%	0.149	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-72	138	-177.7	32.6	-37.6	0	0	0	110.9	F155 M318	P120-F155 WeakPolarHBondContact O-CD2 3.23Å; P120-M318 WeakPolarHBondContact CD-SD 3.46Å; P120-M318 HydrophobicContact CG-CG 4.21Å; P120-M318 HydrophobicContact CG-SD 4.21Å
121	V	93.4	Very high	83.9	Confident	20 Å²	20	46.2 Å²	46.2	12%	0.121	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-80.4	147	165.4	66.4	0	0	0	0	109.6	F97 F100 L101 H104 S123 L152 F155	F97-V121 HydrophobicContact CE2-CG2 4.44Å; F100-V121 HydrophobicContact CB-CG2 4.05Å; L101-V121 HydrophobicContact CD2-CB 4.43Å; L101-V121 HydrophobicContact CD2-CG1 3.6Å; L101-V121 HydrophobicContact CD2-CG2 3.91Å; H104-V121 HydrophobicContact CB-CB 4.08Å; H104-V121 HydrophobicContact CB-CG1 3.95Å; H104-V121 PolarHBondContact CD2-N 3.13Å; V121-S123 PolarHBondContact O-N 2.77Å; V121-L152 HydrophobicContact CG2-CD2 4.24Å; V121-F155 HydrophobicContact CB-CD2 4.38Å; V121-F155 HydrophobicContact CB-CE2 4.42Å
122	P	86.7	Confident	82.5	Confident	23 Å²	23	44.8 Å²	44.8	15%	0.149	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-54.1	139.1	176.7	-25.8	35.2	0	0	0	111.3	F97 A151 L152	F97-P122 HydrophobicContact CE2-CB 4.46Å; F97-P122 WeakPolarHBondContact CZ-O 3.2Å; P122-A151 HydrophobicContact CB-CB 4.01Å; P122-A151 HydrophobicContact CG-CB 3.36Å; P122-L152 HydrophobicContact CG-CD2 4.05Å; P122-L152 HydrophobicContact CG-CG 4.36Å
123	S	77	Confident	81.1	Confident	69 Å²	69	48.9 Å²	48.9	48%	0.483	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-60.8	142.1	-176.4	58.1	0	0	0	0	111.7	V121 D125	V121-S123 PolarHBondContact O-N 2.77Å; S123-D125 PolarHBondContact O-N 3.32Å
124	K	74.2	Confident	79.8	Confident	58 Å²	58	54.2 Å²	54.2	25%	0.252	28%	0.283	S	S	.	.			trans	-71.3	77.5	166.9	-172.4	-175.8	-178.3	-177.8	0	108.9	F97 M126	F97-K124 HydrophobicContact CE1-CB 4.16Å; F97-K124 HydrophobicContact CE1-CG 4.28Å; K124-M126 VanDerWaalsContact C-N 3.29Å; K124-M126 HydrophobicContact CD-CG 4.44Å; K124-M126 HydrophobicContact CG-CG 4.22Å; K124-M126 PolarHBondContact O-N 3.49Å
125	D	70	Confident	78.4	Confident	71 Å²	71	52.6 Å²	52.6	38%	0.38	28%	0.281	S	S	.	.			trans	-70.2	90.4	175.2	-169.4	-16.9	0	0	0	108.9	S123 L127 A128 T129	S123-D125 PolarHBondContact O-N 3.32Å; D125-L127 PolarHBondContact O-N 3.13Å; D125-L127 PolarHBondContact OD1-N 2.89Å; D125-L127 VanDerWaalsContact OD1-N 3.14Å; D125-A128 HydrophobicContact CB-CB 3.87Å; D125-A128 PolarHBondContact O-N 3.4Å; D125-A128 PolarHBondContact OD1-N 3.47Å; D125-A128 WeakPolarHBondContact OD2-CB 3.34Å; D125-T129 WeakPolarHBondContact O-CB 3.34Å; D125-T129 PolarHBondContact O-N 3Å; D125-T129 PolarHBondContact O-OG1 3.36Å
126	M	61.3	Low	77.1	Confident	101 Å²	101	62.5 Å²	62.5	50%	0.498	32%	0.324	S	S	.	.	H	α-helix	trans	-63.8	-33	-179.9	-69.7	-168.8	-70.9	0	0	111.2	K124 T129 T130	K124-M126 VanDerWaalsContact C-N 3.29Å; K124-M126 HydrophobicContact CD-CG 4.44Å; K124-M126 HydrophobicContact CG-CG 4.22Å; K124-M126 PolarHBondContact O-N 3.49Å; M126-T129 PolarHBondContact O-N 2.95Å; M126-T130 WeakPolarHBondContact O-CB 3.35Å; M126-T130 PolarHBondContact O-N 2.91Å; M126-T130 PolarHBondContact O-OG1 2.73Å
127	L	57.6	Low	76	Confident	113 Å²	113	66 Å²	66	59%	0.592	34%	0.342	S	S	*	.	H	α-helix	trans	-71.4	-46	-180	-177.6	62.2	0	0	0	110.5	D125 T129 T130 K131	D125-L127 PolarHBondContact O-N 3.13Å; D125-L127 PolarHBondContact OD1-N 2.89Å; D125-L127 VanDerWaalsContact OD1-N 3.14Å; L127-T129 VanDerWaalsContact C-N 3.35Å; L127-T130 PolarHBondContact O-N 3.39Å; L127-K131 HydrophobicContact CG-CD 4.41Å; L127-K131 WeakPolarHBondContact O-CB 3.42Å; L127-K131 VanDerWaalsContact O-CG 3.3Å; L127-K131 WeakPolarHBondContact O-CG 3.44Å; L127-K131 PolarHBondContact O-N 3.05Å
128	A	65.8	Low	75.2	Confident	22 Å²	22	69.8 Å²	69.8	18%	0.182	37%	0.365	C	S	.	.	H	α-helix	trans	-61.8	-43.9	173	0	0	0	0	0	111.3	D125 T130 K131 V132 F144	D125-A128 HydrophobicContact CB-CB 3.87Å; D125-A128 PolarHBondContact O-N 3.4Å; D125-A128 PolarHBondContact OD1-N 3.47Å; D125-A128 WeakPolarHBondContact OD2-CB 3.34Å; A128-T130 VanDerWaalsContact C-N 3.33Å; A128-T130 PolarHBondContact O-N 2.93Å; A128-K131 PolarHBondContact O-N 3.02Å; A128-V132 WeakPolarHBondContact O-CB 3.32Å; A128-V132 WeakPolarHBondContact O-CG2 3.5Å; A128-V132 PolarHBondContact O-N 3.12Å; A128-F144 HydrophobicContact CB-CD2 4.26Å; A128-F144 HydrophobicContact CB-CE2 3.79Å
129	T	69.2	Low	74.3	Confident	35 Å²	35	71.9 Å²	71.9	22%	0.215	38%	0.38	C	S	.	.	H	α-helix	trans	-60.9	-41.9	178	-52.6	0	0	0	0	111.6	D125 M126 L127 K133 F144	D125-T129 WeakPolarHBondContact O-CB 3.34Å; D125-T129 PolarHBondContact O-N 3Å; D125-T129 PolarHBondContact O-OG1 3.36Å; M126-T129 PolarHBondContact O-N 2.95Å; L127-T129 VanDerWaalsContact C-N 3.35Å; T129-K133 WeakPolarHBondContact O-CB 3.28Å; T129-K133 WeakPolarHBondContact O-CG 3.44Å; T129-K133 PolarHBondContact O-N 3.38Å; T129-F144 WeakPolarHBondContact OG1-CZ 3.49Å
130	T	66.5	Low	73.6	Confident	69 Å²	69	74.1 Å²	74.1	42%	0.423	39%	0.394	S	S	.	.	H	α-helix	trans	-69.8	-42.6	176.7	-62.4	0	0	0	0	111.5	M126 L127 A128 V132 K133 M134	M126-T130 WeakPolarHBondContact O-CB 3.35Å; M126-T130 PolarHBondContact O-N 2.91Å; M126-T130 PolarHBondContact O-OG1 2.73Å; L127-T130 PolarHBondContact O-N 3.39Å; A128-T130 VanDerWaalsContact C-N 3.33Å; A128-T130 PolarHBondContact O-N 2.93Å; T130-V132 VanDerWaalsContact C-N 3.31Å; T130-V132 PolarHBondContact O-N 2.87Å; T130-K133 PolarHBondContact O-N 3.33Å; T130-M134 HydrophobicContact CG2-CE 4.35Å; T130-M134 HydrophobicContact CG2-CG 4.02Å; T130-M134 VanDerWaalsContact O-CB 3.32Å; T130-M134 WeakPolarHBondContact O-CB 3.36Å; T130-M134 WeakPolarHBondContact O-CG 3.47Å; T130-M134 PolarHBondContact O-N 3.37Å
131	K	69.9	Low	73	Confident	135 Å²	135	74.7 Å²	74.7	59%	0.587	39%	0.394	S	S	*	.	H	α-helix	trans	-58.1	-44.5	175.1	-77.6	179.3	177.5	-173.9	0	111.3	L127 A128 M134 S135	L127-K131 HydrophobicContact CG-CD 4.41Å; L127-K131 WeakPolarHBondContact O-CB 3.42Å; L127-K131 VanDerWaalsContact O-CG 3.3Å; L127-K131 WeakPolarHBondContact O-CG 3.44Å; L127-K131 PolarHBondContact O-N 3.05Å; A128-K131 PolarHBondContact O-N 3.02Å; K131-M134 PolarHBondContact O-N 3.3Å; K131-S135 VanDerWaalsContact O-CB 3.25Å; K131-S135 WeakPolarHBondContact O-CB 3.46Å; K131-S135 PolarHBondContact O-N 3.23Å
132	V	69.9	Low	72.6	Confident	13 Å²	13	75.4 Å²	75.4	8%	0.079	40%	0.397	C	S	.	.	H	α-helix	trans	-63.4	-46	175.6	170.9	0	0	0	0	111.1	A128 T130 M134 S135 V140 E141 F144	A128-V132 WeakPolarHBondContact O-CB 3.32Å; A128-V132 WeakPolarHBondContact O-CG2 3.5Å; A128-V132 PolarHBondContact O-N 3.12Å; T130-V132 VanDerWaalsContact C-N 3.31Å; T130-V132 PolarHBondContact O-N 2.87Å; V132-M134 VanDerWaalsContact C-N 3.3Å; V132-M134 PolarHBondContact O-N 3.46Å; V132-S135 PolarHBondContact O-N 3.08Å; V132-V140 HydrophobicContact CG2-CG1 4.2Å; V132-E141 HydrophobicContact CG1-CB 3.85Å; V132-E141 HydrophobicContact CG1-CG 3.85Å; V132-F144 HydrophobicContact CB-CD1 4.4Å; V132-F144 HydrophobicContact CG1-CD1 4.16Å; V132-F144 HydrophobicContact CG2-CB 3.67Å; V132-F144 HydrophobicContact CG2-CD1 3.96Å; V132-F144 HydrophobicContact CG2-CD2 4.08Å; V132-F144 HydrophobicContact CG2-CG 3.67Å
133	K	68.3	Low	72.6	Confident	126 Å²	126	77.3 Å²	77.3	55%	0.548	40%	0.404	S	S	.	.	H	α-helix	trans	-66.2	-29	178	-77.1	-170.6	171.9	-155.6	0	114	T129 T130	T129-K133 WeakPolarHBondContact O-CB 3.28Å; T129-K133 WeakPolarHBondContact O-CG 3.44Å; T129-K133 PolarHBondContact O-N 3.38Å; T130-K133 PolarHBondContact O-N 3.33Å
134	M	68.6	Low	73.1	Confident	154 Å²	154	75 Å²	75	76%	0.759	39%	0.386	S	S	*	.	H	α-helix	trans	-87	-24.2	177.3	-67	-66.1	-173.4	0	0	112.2	T130 K131 V132	T130-M134 HydrophobicContact CG2-CE 4.35Å; T130-M134 HydrophobicContact CG2-CG 4.02Å; T130-M134 VanDerWaalsContact O-CB 3.32Å; T130-M134 WeakPolarHBondContact O-CB 3.36Å; T130-M134 WeakPolarHBondContact O-CG 3.47Å; T130-M134 PolarHBondContact O-N 3.37Å; K131-M134 PolarHBondContact O-N 3.3Å; V132-M134 VanDerWaalsContact C-N 3.3Å; V132-M134 PolarHBondContact O-N 3.46Å
135	S	67.6	Low	73.8	Confident	44 Å²	44	72.4 Å²	72.4	31%	0.308	38%	0.375	S	S	.	.			trans	-68.4	129.2	172	-172.6	0	0	0	0	109.1	K131 V132 D137	K131-S135 VanDerWaalsContact O-CB 3.25Å; K131-S135 WeakPolarHBondContact O-CB 3.46Å; K131-S135 PolarHBondContact O-N 3.23Å; V132-S135 PolarHBondContact O-N 3.08Å; S135-D137 WeakPolarHBondContact OG-CB 3.5Å; S135-D137 PolarHBondContact OG-N 3.43Å
136	K	69	Low	74.7	Confident	208 Å²	208	69.4 Å²	69.4	90%	0.904	36%	0.358	S	S	*	.			trans	-82.8	-1.1	165.7	-69.6	-174.6	176.9	-177.8	0	111.9	V138	K136-V138 PolarHBondContact O-N 2.95Å
137	D	76.7	Confident	76	Confident	81 Å²	81	67.1 Å²	67.1	43%	0.433	34%	0.344	S	S	.	.			trans	-81.8	111.7	-178.3	-162.2	-22.8	0	0	0	110.5	S135 S139 V140 E141	S135-D137 WeakPolarHBondContact OG-CB 3.5Å; S135-D137 PolarHBondContact OG-N 3.43Å; D137-S139 PolarHBondContact O-N 3.09Å; D137-S139 WeakPolarHBondContact OD1-CB 3.24Å; D137-S139 PolarHBondContact OD1-N 2.89Å; D137-S139 PolarHBondContact OD1-OG 3.09Å; D137-S139 PolarHBondContact OD2-OG 3.16Å; D137-V140 HydrophobicContact CB-CB 4.38Å; D137-V140 HydrophobicContact CB-CG2 3.99Å; D137-V140 PolarHBondContact O-N 3.29Å; D137-E141 PolarHBondContact O-N 2.89Å
138	V	79.9	Confident	77.6	Confident	88 Å²	88	63.1 Å²	63.1	53%	0.533	32%	0.321	S	S	.	.	H	α-helix	trans	-64	-29.4	178.9	179.5	0	0	0	0	111.1	K136 E141 N142	K136-V138 PolarHBondContact O-N 2.95Å; V138-E141 PolarHBondContact O-N 2.9Å; V138-N142 VanDerWaalsContact O-CG 3.23Å; V138-N142 PolarHBondContact O-N 3.28Å; V138-N142 PolarHBondContact O-ND2 3.1Å
139	S	77.8	Confident	78.9	Confident	52 Å²	52	63 Å²	63	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-63.5	-47.5	178.6	66	0	0	0	0	111.6	D137 E141 N142 E143	D137-S139 PolarHBondContact O-N 3.09Å; D137-S139 WeakPolarHBondContact OD1-CB 3.24Å; D137-S139 PolarHBondContact OD1-N 2.89Å; D137-S139 PolarHBondContact OD1-OG 3.09Å; D137-S139 PolarHBondContact OD2-OG 3.16Å; S139-E141 VanDerWaalsContact C-N 3.31Å; S139-E141 PolarHBondContact O-N 3.33Å; S139-N142 WeakPolarHBondContact O-CB 3.23Å; S139-N142 PolarHBondContact O-N 3.44Å; S139-N142 VanDerWaalsContact O-N 3.1Å; S139-E143 WeakPolarHBondContact O-CG 3.49Å; S139-E143 PolarHBondContact O-N 2.92Å
140	V	80.9	Confident	79.9	Confident	51 Å²	51	61.6 Å²	61.6	31%	0.309	31%	0.307	S	S	.	.	H	α-helix	trans	-63.4	-35.3	178	-179.9	0	0	0	0	111.9	V132 D137 F144	V132-V140 HydrophobicContact CG2-CG1 4.2Å; D137-V140 HydrophobicContact CB-CB 4.38Å; D137-V140 HydrophobicContact CB-CG2 3.99Å; D137-V140 PolarHBondContact O-N 3.29Å; V140-F144 WeakPolarHBondContact O-CB 3.31Å; V140-F144 PolarHBondContact O-N 3.09Å
141	E	82.7	Confident	81.1	Confident	35 Å²	35	58.8 Å²	58.8	16%	0.164	29%	0.291	C	S	.	.	H	α-helix	trans	-65.3	-44.8	173	-173.5	171.4	-162.6	0	0	111.2	K69 V132 D137 V138 S139 F144 V145	K69-E141 IonicContact NZ-OE1 2.81Å; K69-E141 PolarHBondContact NZ-OE1 3.46Å; K69-E141 IonicContact NZ-OE2 3.22Å; K69-E141 PolarHBondContact NZ-OE2 3.46Å; V132-E141 HydrophobicContact CG1-CB 3.85Å; V132-E141 HydrophobicContact CG1-CG 3.85Å; D137-E141 PolarHBondContact O-N 2.89Å; V138-E141 PolarHBondContact O-N 2.9Å; S139-E141 VanDerWaalsContact C-N 3.31Å; S139-E141 PolarHBondContact O-N 3.33Å; E141-F144 PolarHBondContact O-N 3.31Å; E141-V145 HydrophobicContact CG-CG2 4.49Å; E141-V145 WeakPolarHBondContact O-CB 3.36Å; E141-V145 WeakPolarHBondContact O-CG2 3.32Å; E141-V145 PolarHBondContact O-N 3Å
142	N	85.9	Confident	82.3	Confident	35 Å²	35	52.3 Å²	52.3	19%	0.187	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-46.1	179.6	-70.4	-18.3	0	0	0	112.8	L23 V138 S139 F144 V145 E146	L23-N142 WeakPolarHBondContact CD2-OD1 3.34Å; V138-N142 VanDerWaalsContact O-CG 3.23Å; V138-N142 PolarHBondContact O-N 3.28Å; V138-N142 PolarHBondContact O-ND2 3.1Å; S139-N142 WeakPolarHBondContact O-CB 3.23Å; S139-N142 PolarHBondContact O-N 3.44Å; S139-N142 VanDerWaalsContact O-N 3.1Å; N142-F144 VanDerWaalsContact C-N 3.35Å; N142-F144 PolarHBondContact O-N 3Å; N142-V145 PolarHBondContact O-N 2.99Å; N142-E146 WeakPolarHBondContact O-CB 3.1Å; N142-E146 PolarHBondContact O-N 2.78Å
143	E	85.6	Confident	83.4	Confident	63 Å²	63	52 Å²	52	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-57.9	-47.8	177	-72.7	173	-174.2	0	0	111.4	S139 V145 E146 R147 E302	S139-E143 WeakPolarHBondContact O-CG 3.49Å; S139-E143 PolarHBondContact O-N 2.92Å; E143-V145 VanDerWaalsContact C-N 3.34Å; E143-V145 PolarHBondContact O-N 3.31Å; E143-E146 PolarHBondContact O-N 2.91Å; E143-R147 WeakPolarHBondContact O-CB 3.36Å; E143-R147 PolarHBondContact O-N 3.39Å; E143-E302 HydrophobicContact CG-CG 4.18Å
144	F	87.3	Confident	84.6	Confident	21 Å²	21	46.1 Å²	46.1	9%	0.092	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-41.8	179	171.8	-104.4	0	0	0	112.7	A128 T129 V132 V140 E141 N142 R148	A128-F144 HydrophobicContact CB-CD2 4.26Å; A128-F144 HydrophobicContact CB-CE2 3.79Å; T129-F144 WeakPolarHBondContact OG1-CZ 3.49Å; V132-F144 HydrophobicContact CB-CD1 4.4Å; V132-F144 HydrophobicContact CG1-CD1 4.16Å; V132-F144 HydrophobicContact CG2-CB 3.67Å; V132-F144 HydrophobicContact CG2-CD1 3.96Å; V132-F144 HydrophobicContact CG2-CD2 4.08Å; V132-F144 HydrophobicContact CG2-CG 3.67Å; V140-F144 WeakPolarHBondContact O-CB 3.31Å; V140-F144 PolarHBondContact O-N 3.09Å; E141-F144 PolarHBondContact O-N 3.31Å; N142-F144 VanDerWaalsContact C-N 3.35Å; N142-F144 PolarHBondContact O-N 3Å; F144-R148 WeakPolarHBondContact O-CB 3.49Å; F144-R148 PolarHBondContact O-N 3.42Å; F144-R148 VanDerWaalsContact O-N 3.07Å
145	V	89.4	Confident	85.8	Confident	4 Å²	4	39 Å²	39	2%	0.024	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-42.5	178.2	167	0	0	0	0	111	L23 P67 V78 Y80 E141 N142 E143 R148 R149	L23-V145 HydrophobicContact CD1-CB 4.49Å; L23-V145 HydrophobicContact CD1-CG1 4.13Å; L23-V145 HydrophobicContact CD1-CG2 4.16Å; P67-V145 HydrophobicContact CB-CG1 3.22Å; P67-V145 HydrophobicContact CG-CG1 3.65Å; V78-V145 HydrophobicContact CG1-CG1 4.05Å; V78-V145 HydrophobicContact CG1-CG2 4.39Å; V78-V145 HydrophobicContact CG2-CG2 4.01Å; Y80-V145 HydrophobicContact CE1-CG1 4.16Å; E141-V145 HydrophobicContact CG-CG2 4.49Å; E141-V145 WeakPolarHBondContact O-CB 3.36Å; E141-V145 WeakPolarHBondContact O-CG2 3.32Å; E141-V145 PolarHBondContact O-N 3Å; N142-V145 PolarHBondContact O-N 2.99Å; E143-V145 VanDerWaalsContact C-N 3.34Å; E143-V145 PolarHBondContact O-N 3.31Å; V145-R148 PolarHBondContact O-N 3.28Å; V145-R149 WeakPolarHBondContact O-CB 3.45Å; V145-R149 PolarHBondContact O-N 3.44Å
146	E	88.2	Confident	87.1	Confident	7 Å²	7	36.9 Å²	36.9	3%	0.033	19%	0.185	C	C	.	.	H	α-helix	trans	-66.3	-46.1	178.3	178.8	56.6	-165.1	0	0	111.8	C28 N142 E143 R148 R149 I150	C28-E146 HydrophobicContact CB-CB 3.71Å; C28-E146 HydrophobicContact CB-CG 3.81Å; N142-E146 WeakPolarHBondContact O-CB 3.1Å; N142-E146 PolarHBondContact O-N 2.78Å; E143-E146 PolarHBondContact O-N 2.91Å; E146-R148 VanDerWaalsContact C-N 3.26Å; E146-R148 PolarHBondContact O-N 3.2Å; E146-R149 VanDerWaalsContact CD-NE 3.31Å; E146-R149 WeakPolarHBondContact O-CB 3.45Å; E146-R149 PolarHBondContact O-N 3.04Å; E146-R149 IonicContact OE1-CZ 2.68Å; E146-R149 IonicContact OE1-NE 2.93Å; E146-R149 PolarHBondContact OE1-NE 3.04Å; E146-R149 VanDerWaalsContact OE1-NE 3.14Å; E146-R149 IonicContact OE1-NH2 3.69Å; E146-R149 PolarHBondContact OE1-NH2 2.9Å; E146-R149 WeakPolarHBondContact OE2-CD 3.38Å; E146-R149 IonicContact OE2-CZ 2.78Å; E146-R149 IonicContact OE2-NE 3.3Å; E146-R149 PolarHBondContact OE2-NE 3.24Å; E146-R149 IonicContact OE2-NH2 2.67Å; E146-I150 HydrophobicContact CG-CD1 4.19Å; E146-I150 WeakPolarHBondContact O-CG1 3.46Å; E146-I150 PolarHBondContact O-N 3.29Å
147	R	89.4	Confident	88.3	Confident	53 Å²	53	27 Å²	27	20%	0.2	14%	0.142	C	C	.	.	H	α-helix	trans	-54.7	-44.9	174.8	-171	-178.9	-54	152.2	2	112	E143 A151 E302 T305 E310	E143-R147 WeakPolarHBondContact O-CB 3.36Å; E143-R147 PolarHBondContact O-N 3.39Å; R147-A151 WeakPolarHBondContact O-CB 3.37Å; R147-A151 PolarHBondContact O-N 2.92Å; R147-E302 IonicContact CZ-OE1 2.78Å; R147-E302 IonicContact CZ-OE2 3.81Å; R147-E302 IonicContact NE-OE1 3.06Å; R147-E302 IonicContact NH2-OE1 3.32Å; R147-E302 PolarHBondContact NH2-OE1 3.22Å; R147-E302 IonicContact NH2-OE2 2.87Å; R147-E302 PolarHBondContact NH2-OE2 2.93Å; R147-T305 VanDerWaalsContact NE-CG2 3.25Å; R147-E310 VanDerWaalsContact CD-OE1 3.22Å; R147-E310 WeakPolarHBondContact CD-OE1 3.46Å; R147-E310 VanDerWaalsContact CG-CD 3.5Å; R147-E310 HydrophobicContact CG-CG 3.3Å
148	R	91.2	Very high	89	Confident	30 Å²	30	23.8 Å²	23.8	11%	0.113	12%	0.124	C	C	.	.	H	α-helix	trans	-66.3	-44.1	175.1	179.1	172	-73.8	155	-3.9	111.8	Y80 F97 F144 V145 E146 I150 A151 L152	Y80-R148 VanDerWaalsContact OH-CD 3.24Å; Y80-R148 WeakPolarHBondContact OH-CD 3.25Å; F97-R148 HydrophobicContact CD2-CG 4.24Å; F144-R148 WeakPolarHBondContact O-CB 3.49Å; F144-R148 PolarHBondContact O-N 3.42Å; F144-R148 VanDerWaalsContact O-N 3.07Å; V145-R148 PolarHBondContact O-N 3.28Å; E146-R148 VanDerWaalsContact C-N 3.26Å; E146-R148 PolarHBondContact O-N 3.2Å; R148-I150 VanDerWaalsContact C-N 3.34Å; R148-I150 PolarHBondContact O-N 2.86Å; R148-A151 PolarHBondContact O-N 3.22Å; R148-L152 HydrophobicContact CG-CD1 3.81Å; R148-L152 HydrophobicContact CG-CG 4.12Å; R148-L152 VanDerWaalsContact O-CG 3.25Å; R148-L152 WeakPolarHBondContact O-CG 3.29Å; R148-L152 PolarHBondContact O-N 2.56Å
149	R	93.3	Very high	89.7	Confident	20 Å²	20	19.6 Å²	19.6	8%	0.075	10%	0.099	C	C	.	.	H	α-helix	trans	-54.9	-48.7	178.1	-172.7	-153.9	66.1	64.5	0.6	111.3	I64 Y80 V145 E146 A151 L152 E153	I64-R149 HydrophobicContact CB-CG 4.07Å; I64-R149 HydrophobicContact CG2-CG 3.65Å; I64-R149 WeakPolarHBondContact O-CD 3.46Å; I64-R149 PolarHBondContact O-NH1 3.25Å; Y80-R149 HydrophobicContact CD1-CB 4.08Å; Y80-R149 HydrophobicContact CD1-CG 4.04Å; Y80-R149 HydrophobicContact CE1-CB 3.94Å; Y80-R149 HydrophobicContact CE1-CG 4.41Å; V145-R149 WeakPolarHBondContact O-CB 3.45Å; V145-R149 PolarHBondContact O-N 3.44Å; E146-R149 VanDerWaalsContact CD-NE 3.31Å; E146-R149 WeakPolarHBondContact O-CB 3.45Å; E146-R149 PolarHBondContact O-N 3.04Å; E146-R149 IonicContact OE1-CZ 2.68Å; E146-R149 IonicContact OE1-NE 2.93Å; E146-R149 PolarHBondContact OE1-NE 3.04Å; E146-R149 VanDerWaalsContact OE1-NE 3.14Å; E146-R149 IonicContact OE1-NH2 3.69Å; E146-R149 PolarHBondContact OE1-NH2 2.9Å; E146-R149 WeakPolarHBondContact OE2-CD 3.38Å; E146-R149 IonicContact OE2-CZ 2.78Å; E146-R149 IonicContact OE2-NE 3.3Å; E146-R149 PolarHBondContact OE2-NE 3.24Å; E146-R149 IonicContact OE2-NH2 2.67Å; R149-A151 PolarHBondContact O-N 2.93Å; R149-L152 PolarHBondContact O-N 3.46Å; R149-E153 IonicContact NH1-OE2 3.5Å; R149-E153 PolarHBondContact NH1-OE2 3.34Å; R149-E153 PolarHBondContact O-N 3.18Å
150	I	90.2	Very high	90.4	Very high	5 Å²	5	17.2 Å²	17.2	3%	0.026	8%	0.082	C	C	.	.	H	α-helix	trans	-59.7	-46.3	177.5	-64	166.2	0	0	0	110.8	E146 R148 L152 E153 R154 C306	E146-I150 HydrophobicContact CG-CD1 4.19Å; E146-I150 WeakPolarHBondContact O-CG1 3.46Å; E146-I150 PolarHBondContact O-N 3.29Å; R148-I150 VanDerWaalsContact C-N 3.34Å; R148-I150 PolarHBondContact O-N 2.86Å; I150-L152 VanDerWaalsContact C-N 3.34Å; I150-L152 PolarHBondContact O-N 3.08Å; I150-E153 WeakPolarHBondContact O-CB 3.48Å; I150-E153 PolarHBondContact O-N 2.75Å; I150-R154 VanDerWaalsContact CG2-CZ 3.46Å; I150-R154 VanDerWaalsContact CG2-NH2 3.31Å; I150-R154 PolarHBondContact O-N 3.24Å; I150-C306 HydrophobicContact CD1-CB 3.62Å
151	A	91.8	Very high	90.9	Very high	9 Å²	9	15.4 Å²	15.4	7%	0.074	7%	0.071	C	C	.	.	H	α-helix	trans	-67.6	-34.5	-177.9	0	0	0	0	0	112.4	P122 R147 R148 R149 R154 F155	P122-A151 HydrophobicContact CB-CB 4.01Å; P122-A151 HydrophobicContact CG-CB 3.36Å; R147-A151 WeakPolarHBondContact O-CB 3.37Å; R147-A151 PolarHBondContact O-N 2.92Å; R148-A151 PolarHBondContact O-N 3.22Å; R149-A151 PolarHBondContact O-N 2.93Å; A151-R154 PolarHBondContact O-N 3.27Å; A151-F155 PolarHBondContact O-N 3.03Å
152	L	94.5	Very high	91.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-67.7	-37.6	172.4	-67.1	172.1	0	0	0	112.3	I64 Y80 F97 F100 V121 P122 R148 R149 I150 R154 F155 L156	I64-L152 VanDerWaalsContact CD1-C 3.42Å; I64-L152 HydrophobicContact CD1-CB 3.59Å; Y80-L152 HydrophobicContact CD2-CD1 4.03Å; Y80-L152 HydrophobicContact CE1-CD1 4.44Å; Y80-L152 HydrophobicContact CE2-CD1 3.9Å; Y80-L152 HydrophobicContact CG-CD1 4.41Å; F97-L152 HydrophobicContact CD2-CD1 4.27Å; F97-L152 HydrophobicContact CD2-CD2 3.93Å; F97-L152 HydrophobicContact CE2-CD2 4.13Å; F100-L152 HydrophobicContact CB-CD2 3.89Å; F100-L152 HydrophobicContact CD1-CB 4.3Å; F100-L152 HydrophobicContact CD1-CD2 3.66Å; F100-L152 HydrophobicContact CD1-CG 4.41Å; F100-L152 HydrophobicContact CD2-CD1 4.2Å; F100-L152 HydrophobicContact CD2-CD2 4.09Å; F100-L152 HydrophobicContact CE1-CB 3.92Å; F100-L152 HydrophobicContact CE1-CD1 4.45Å; F100-L152 HydrophobicContact CE1-CD2 4.11Å; F100-L152 HydrophobicContact CE1-CG 4.38Å; F100-L152 HydrophobicContact CE2-CD1 4.01Å; F100-L152 HydrophobicContact CG-CD2 3.64Å; F100-L152 HydrophobicContact CZ-CB 4.26Å; F100-L152 HydrophobicContact CZ-CD1 4.14Å; V121-L152 HydrophobicContact CG2-CD2 4.24Å; P122-L152 HydrophobicContact CG-CD2 4.05Å; P122-L152 HydrophobicContact CG-CG 4.36Å; R148-L152 HydrophobicContact CG-CD1 3.81Å; R148-L152 HydrophobicContact CG-CG 4.12Å; R148-L152 VanDerWaalsContact O-CG 3.25Å; R148-L152 WeakPolarHBondContact O-CG 3.29Å; R148-L152 PolarHBondContact O-N 2.56Å; R149-L152 PolarHBondContact O-N 3.46Å; I150-L152 VanDerWaalsContact C-N 3.34Å; I150-L152 PolarHBondContact O-N 3.08Å; L152-R154 VanDerWaalsContact C-N 3.35Å; L152-F155 PolarHBondContact O-N 3.19Å; L152-L156 PolarHBondContact O-N 2.92Å
153	E	94	Very high	91.5	Very high	5 Å²	5	15.3 Å²	15.3	2%	0.023	8%	0.075	C	C	.	.	H	α-helix	trans	-64.4	-41.6	176.3	-174.5	176	106.5	0	0	110.7	R37 K63 I64 R149 I150 L156 S157	R37-E153 IonicContact NE-OE1 2.74Å; K63-E153 WeakPolarHBondContact CD-OE2 3.42Å; K63-E153 IonicContact NZ-OE1 3.37Å; K63-E153 PolarHBondContact NZ-OE1 3.43Å; K63-E153 IonicContact NZ-OE2 3.91Å; I64-E153 HydrophobicContact CB-CB 4.2Å; I64-E153 HydrophobicContact CD1-CB 4.1Å; I64-E153 VanDerWaalsContact CD1-N 3.32Å; I64-E153 HydrophobicContact CG1-CB 3.94Å; I64-E153 HydrophobicContact CG1-CG 4.36Å; I64-E153 PolarHBondContact N-OE2 2.85Å; R149-E153 IonicContact NH1-OE2 3.5Å; R149-E153 PolarHBondContact NH1-OE2 3.34Å; R149-E153 PolarHBondContact O-N 3.18Å; I150-E153 WeakPolarHBondContact O-CB 3.48Å; I150-E153 PolarHBondContact O-N 2.75Å; E153-L156 PolarHBondContact O-N 3.21Å; E153-S157 VanDerWaalsContact O-CB 3.27Å; E153-S157 WeakPolarHBondContact O-CB 3.06Å; E153-S157 PolarHBondContact O-N 3.22Å
154	R	91.9	Very high	91.9	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.015	8%	0.078	C	C	.	.	H	α-helix	trans	-63.5	-44.1	173.7	-74.8	-165.1	-82.3	-118.7	-1.5	112.5	R37 I150 A151 L152 S157 R158 C306 E314	R37-R154 VanDerWaalsContact CZ-CG 3.42Å; I150-R154 VanDerWaalsContact CG2-CZ 3.46Å; I150-R154 VanDerWaalsContact CG2-NH2 3.31Å; I150-R154 PolarHBondContact O-N 3.24Å; A151-R154 PolarHBondContact O-N 3.27Å; L152-R154 VanDerWaalsContact C-N 3.35Å; R154-S157 PolarHBondContact O-N 2.84Å; R154-R158 WeakPolarHBondContact O-CG 3.3Å; R154-R158 PolarHBondContact O-N 3.26Å; R154-C306 PolarHBondContact NH2-O 3.24Å; R154-E314 VanDerWaalsContact CB-OE2 3.28Å; R154-E314 WeakPolarHBondContact CB-OE2 3.41Å; R154-E314 WeakPolarHBondContact CD-OE2 3.33Å; R154-E314 IonicContact NE-OE2 3.73Å; R154-E314 PolarHBondContact NE-OE2 2.82Å
155	F	94.6	Very high	92.3	Very high	3 Å²	3	14.1 Å²	14.1	1%	0.013	7%	0.074	C	C	.	.	H	α-helix	trans	-55.2	-54	174.3	163.6	-105.2	0	0	0	111.7	F100 L103 H104 P119 P120 V121 A151 L152 S157 R158 V159	F100-F155 HydrophobicContact CD1-CD1 4.02Å; F100-F155 HydrophobicContact CD1-CE1 4.15Å; L103-F155 HydrophobicContact CD2-CE1 4.26Å; L103-F155 HydrophobicContact CD2-CZ 4.46Å; H104-F155 HydrophobicContact CB-CE2 4.46Å; H104-F155 HydrophobicContact CB-CZ 4.22Å; H104-F155 AromaticContact CD2-CE2 3.97Å; P119-F155 HydrophobicContact CB-CD2 4.11Å; P119-F155 HydrophobicContact CB-CE2 4.42Å; P119-F155 WeakPolarHBondContact O-CD2 3.45Å; P119-F155 WeakPolarHBondContact O-CE2 2.91Å; P120-F155 WeakPolarHBondContact O-CD2 3.23Å; V121-F155 HydrophobicContact CB-CD2 4.38Å; V121-F155 HydrophobicContact CB-CE2 4.42Å; A151-F155 PolarHBondContact O-N 3.03Å; L152-F155 PolarHBondContact O-N 3.19Å; F155-S157 VanDerWaalsContact C-N 3.35Å; F155-S157 PolarHBondContact O-N 3.49Å; F155-R158 PolarHBondContact O-N 3.41Å; F155-V159 HydrophobicContact CD2-CG2 4.17Å; F155-V159 HydrophobicContact CE1-CG2 4.33Å; F155-V159 HydrophobicContact CE2-CG2 3.68Å; F155-V159 HydrophobicContact CZ-CG2 3.78Å; F155-V159 WeakPolarHBondContact O-CG2 3.33Å; F155-V159 PolarHBondContact O-N 2.98Å
156	L	95.6	Very high	92.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.4	-38.3	179.8	-73.3	-176.9	0	0	0	112.6	V62 I64 V82 F100 L103 L152 E153 R158 V159 L160 F174 L175	V62-L156 HydrophobicContact CG1-CB 4.3Å; V62-L156 HydrophobicContact CG2-CB 3.93Å; V62-L156 HydrophobicContact CG2-CD1 3.91Å; I64-L156 HydrophobicContact CD1-CD1 3.97Å; I64-L156 HydrophobicContact CG1-CD1 4.47Å; V82-L156 HydrophobicContact CG1-CD1 3.63Å; V82-L156 HydrophobicContact CG2-CD1 4.44Å; F100-L156 HydrophobicContact CD1-CD2 4.45Å; F100-L156 HydrophobicContact CD1-CG 4.34Å; F100-L156 HydrophobicContact CE1-CD1 3.69Å; F100-L156 HydrophobicContact CE1-CD2 4.34Å; F100-L156 HydrophobicContact CE1-CG 3.88Å; F100-L156 HydrophobicContact CZ-CD1 4.44Å; L103-L156 HydrophobicContact CD2-CD2 4.25Å; L152-L156 PolarHBondContact O-N 2.92Å; E153-L156 PolarHBondContact O-N 3.21Å; L156-R158 VanDerWaalsContact C-N 3.26Å; L156-R158 PolarHBondContact O-N 2.58Å; L156-V159 PolarHBondContact O-N 3.45Å; L156-L160 WeakPolarHBondContact O-CB 3.49Å; L156-L160 WeakPolarHBondContact O-CG 3.44Å; L156-L160 PolarHBondContact O-N 3.06Å; L156-F174 HydrophobicContact CD1-CE1 3.99Å; L156-F174 HydrophobicContact CD2-CD1 4.27Å; L156-F174 HydrophobicContact CD2-CE1 3.87Å; L156-L175 HydrophobicContact CD1-CD2 4.3Å
157	S	92.7	Very high	92.7	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.014	12%	0.119	C	C	.	.	H	α-helix	trans	-59.1	-40.2	177.2	-179.9	0	0	0	0	111.4	E153 R154 F155 S161	E153-S157 VanDerWaalsContact O-CB 3.27Å; E153-S157 WeakPolarHBondContact O-CB 3.06Å; E153-S157 PolarHBondContact O-N 3.22Å; R154-S157 PolarHBondContact O-N 2.84Å; F155-S157 VanDerWaalsContact C-N 3.35Å; F155-S157 PolarHBondContact O-N 3.49Å; S157-S161 PolarHBondContact O-N 3.02Å
158	R	92.6	Very high	93	Very high	13 Å²	13	22.1 Å²	22.1	5%	0.049	11%	0.112	C	C	.	.	H	α-helix	trans	-69.9	-41.7	174.1	-68.6	179.3	-176.9	-81.5	1.8	112.6	P119 R154 F155 L156 L160 S161 H162 E314 Y406	P119-R158 HydrophobicContact CB-CB 3.73Å; P119-R158 HydrophobicContact CG-CB 3.58Å; R154-R158 WeakPolarHBondContact O-CG 3.3Å; R154-R158 PolarHBondContact O-N 3.26Å; F155-R158 PolarHBondContact O-N 3.41Å; L156-R158 VanDerWaalsContact C-N 3.26Å; L156-R158 PolarHBondContact O-N 2.58Å; R158-L160 VanDerWaalsContact C-N 3.28Å; R158-L160 PolarHBondContact O-N 2.89Å; R158-S161 PolarHBondContact O-N 3.35Å; R158-S161 PolarHBondContact O-OG 3.33Å; R158-H162 PolarHBondContact O-N 3.32Å; R158-E314 IonicContact CZ-OE1 2.92Å; R158-E314 IonicContact NE-OE1 2.58Å; R158-E314 PolarHBondContact NE-OE1 3.44Å; R158-E314 IonicContact NH2-OE1 3.73Å; R158-E314 PolarHBondContact NH2-OE1 3.09Å; R158-Y406 HydrophobicContact CG-CE1 4.06Å; R158-Y406 HydrophobicContact CG-CE2 4.41Å
159	V	94.6	Very high	93.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.1	-44.2	175.5	170.7	0	0	0	0	110.7	L107 P119 F155 L156 S161 H162 L165 V171	L107-V159 HydrophobicContact CD1-CG1 4.28Å; L107-V159 HydrophobicContact CD1-CG2 4.44Å; P119-V159 HydrophobicContact CB-CG2 4.42Å; P119-V159 HydrophobicContact CG-CG2 4.07Å; F155-V159 HydrophobicContact CD2-CG2 4.17Å; F155-V159 HydrophobicContact CE1-CG2 4.33Å; F155-V159 HydrophobicContact CE2-CG2 3.68Å; F155-V159 HydrophobicContact CZ-CG2 3.78Å; F155-V159 WeakPolarHBondContact O-CG2 3.33Å; F155-V159 PolarHBondContact O-N 2.98Å; L156-V159 PolarHBondContact O-N 3.45Å; V159-S161 PolarHBondContact O-N 2.95Å; V159-H162 WeakPolarHBondContact O-CB 3.44Å; V159-H162 PolarHBondContact O-N 2.94Å; V159-L165 HydrophobicContact CG1-CB 4.12Å; V159-V171 HydrophobicContact CG1-CG1 4.1Å; V159-V171 HydrophobicContact CG1-CG2 3.72Å
160	L	93	Very high	93.4	Very high	2 Å²	2	27 Å²	27	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-75.1	-21.5	-179.1	-66.3	172.8	0	0	0	114.3	V39 V62 T84 L86 L156 R158 H162 R166 V171 L175	V39-L160 HydrophobicContact CG1-CB 4.14Å; V39-L160 HydrophobicContact CG2-CB 4.12Å; V62-L160 HydrophobicContact CB-CD1 4.05Å; V62-L160 HydrophobicContact CG1-CD1 4.3Å; T84-L160 HydrophobicContact CG2-CD1 4.34Å; L86-L160 HydrophobicContact CD2-CD1 4.44Å; L86-L160 HydrophobicContact CD2-CD2 4.11Å; L156-L160 WeakPolarHBondContact O-CB 3.49Å; L156-L160 WeakPolarHBondContact O-CG 3.44Å; L156-L160 PolarHBondContact O-N 3.06Å; R158-L160 VanDerWaalsContact C-N 3.28Å; R158-L160 PolarHBondContact O-N 2.89Å; L160-H162 VanDerWaalsContact C-N 3.27Å; L160-R166 HydrophobicContact CD2-CB 4.42Å; L160-R166 WeakPolarHBondContact O-CB 3.43Å; L160-V171 HydrophobicContact CD2-CG1 4.07Å; L160-L175 HydrophobicContact CD1-CD1 4.13Å; L160-L175 HydrophobicContact CD2-CD1 3.68Å; L160-L175 HydrophobicContact CG-CD1 4.38Å
161	S	90.2	Very high	93.7	Very high	12 Å²	12	26.8 Å²	26.8	8%	0.084	14%	0.136	C	C	.	.	H	α-helix	trans	-70.6	-26.1	171.1	73.1	0	0	0	0	112.8	I40 S157 R158 V159 Y406	I40-S161 WeakPolarHBondContact O-CB 3.36Å; S157-S161 PolarHBondContact O-N 3.02Å; R158-S161 PolarHBondContact O-N 3.35Å; R158-S161 PolarHBondContact O-OG 3.33Å; V159-S161 PolarHBondContact O-N 2.95Å; S161-Y406 WeakPolarHBondContact CB-OH 3.4Å; S161-Y406 PolarHBondContact OG-OH 2.74Å
162	H	91.4	Very high	93.8	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.028	15%	0.147	C	C	.	.	S	Bend	trans	-80.9	127.8	-170.7	-171.9	-63.9	0	0	0	111.1	V116 R158 V159 L160 V164 L165 R166 E395	V116-H162 WeakPolarHBondContact CG1-NE2 3.45Å; R158-H162 PolarHBondContact O-N 3.32Å; V159-H162 WeakPolarHBondContact O-CB 3.44Å; V159-H162 PolarHBondContact O-N 2.94Å; L160-H162 VanDerWaalsContact C-N 3.27Å; H162-V164 PolarHBondContact ND1-N 3.31Å; H162-V164 PolarHBondContact O-N 2.87Å; H162-L165 HydrophobicContact CB-CB 4.03Å; H162-L165 HydrophobicContact CB-CD1 4Å; H162-L165 HydrophobicContact CB-CG 4.07Å; H162-L165 PolarHBondContact ND1-N 3.42Å; H162-R166 VanDerWaalsContact O-CB 3.25Å; H162-R166 WeakPolarHBondContact O-CB 3.46Å; H162-R166 VanDerWaalsContact O-CG 3.22Å; H162-R166 WeakPolarHBondContact O-CG 3.35Å; H162-R166 PolarHBondContact O-N 3.43Å; H162-E395 IonicContact CD2-OE2 2.65Å; H162-E395 IonicContact CE1-OE1 3.36Å; H162-E395 IonicContact NE2-OE1 3.63Å; H162-E395 PolarHBondContact NE2-OE1 2.82Å; H162-E395 IonicContact NE2-OE2 3.86Å; H162-E395 PolarHBondContact NE2-OE2 3.49Å; H162-E395 VanDerWaalsContact NE2-OE2 3.07Å
163	P	90.1	Very high	93.9	Very high	63 Å²	63	32.2 Å²	32.2	41%	0.409	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-38.6	-172.4	22	-33.4	0	0	0	114
164	V	93.4	Very high	94	Very high	59 Å²	59	32 Å²	32	36%	0.358	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-54.8	176.9	-177	0	0	0	0	112.3	Y111 H162 R166 I167	Y111-V164 HydrophobicContact CD1-CG1 4.12Å; Y111-V164 HydrophobicContact CE1-CG1 3.57Å; H162-V164 PolarHBondContact ND1-N 3.31Å; H162-V164 PolarHBondContact O-N 2.87Å; V164-R166 VanDerWaalsContact C-N 3.32Å; V164-R166 PolarHBondContact O-N 3.37Å; V164-I167 WeakPolarHBondContact O-CG1 3.19Å; V164-I167 PolarHBondContact O-N 2.87Å
165	L	95.6	Very high	94.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-62.7	-35.2	-174.5	-53.3	175.8	0	0	0	113.2	L107 Y111 V116 V159 H162 I167 D168 V171	L107-L165 HydrophobicContact CD1-CD2 4.47Å; L107-L165 HydrophobicContact CD2-CD2 4.27Å; Y111-L165 HydrophobicContact CD2-CD2 3.64Å; Y111-L165 HydrophobicContact CE2-CD2 3.98Å; Y111-L165 HydrophobicContact CG-CD2 4.11Å; V116-L165 HydrophobicContact CG1-CD1 4.5Å; V116-L165 HydrophobicContact CG1-CD2 4.07Å; V116-L165 HydrophobicContact CG1-CG 4.28Å; V159-L165 HydrophobicContact CG1-CB 4.12Å; H162-L165 HydrophobicContact CB-CB 4.03Å; H162-L165 HydrophobicContact CB-CD1 4Å; H162-L165 HydrophobicContact CB-CG 4.07Å; H162-L165 PolarHBondContact ND1-N 3.42Å; L165-I167 PolarHBondContact O-N 2.91Å; L165-I167 VanDerWaalsContact O-N 3.17Å; L165-D168 VanDerWaalsContact O-CB 3.28Å; L165-D168 WeakPolarHBondContact O-CB 3.36Å; L165-D168 PolarHBondContact O-N 2.58Å; L165-D168 VanDerWaalsContact O-N 3.07Å; L165-V171 WeakPolarHBondContact O-CG2 3.47Å
166	R	93.1	Very high	94.2	Very high	99 Å²	99	35.6 Å²	35.6	37%	0.374	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-63	-23.6	-177.5	77.1	-173.6	-177.3	161.7	1.3	114.3	L160 H162 V164	L160-R166 HydrophobicContact CD2-CB 4.42Å; L160-R166 WeakPolarHBondContact O-CB 3.43Å; H162-R166 VanDerWaalsContact O-CB 3.25Å; H162-R166 WeakPolarHBondContact O-CB 3.46Å; H162-R166 VanDerWaalsContact O-CG 3.22Å; H162-R166 WeakPolarHBondContact O-CG 3.35Å; H162-R166 PolarHBondContact O-N 3.43Å; V164-R166 VanDerWaalsContact C-N 3.32Å; V164-R166 PolarHBondContact O-N 3.37Å
167	I	92.8	Very high	94.1	Very high	124 Å²	124	39.7 Å²	39.7	64%	0.636	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-102.8	4.4	179.3	62.9	168.9	0	0	0	112.3	V164 L165	V164-I167 WeakPolarHBondContact O-CG1 3.19Å; V164-I167 PolarHBondContact O-N 2.87Å; L165-I167 PolarHBondContact O-N 2.91Å; L165-I167 VanDerWaalsContact O-N 3.17Å
168	D	96.2	Very high	93.8	Very high	8 Å²	8	48 Å²	48	4%	0.043	24%	0.238	C	C	.	.			trans	-66.6	143	177.6	-175.9	-93.8	0	0	0	111.1	L107 K110 Y111 L165 D170 V171 C172	L107-D168 HydrophobicContact CD2-CB 4.23Å; K110-D168 IonicContact NZ-OD1 3.92Å; K110-D168 IonicContact NZ-OD2 3.99Å; Y111-D168 HydrophobicContact CE2-CB 4.32Å; Y111-D168 VanDerWaalsContact CE2-OD2 3.24Å; Y111-D168 WeakPolarHBondContact CE2-OD2 3.4Å; Y111-D168 VanDerWaalsContact CZ-OD2 3.29Å; Y111-D168 PolarHBondContact OH-OD2 3.09Å; L165-D168 VanDerWaalsContact O-CB 3.28Å; L165-D168 WeakPolarHBondContact O-CB 3.36Å; L165-D168 PolarHBondContact O-N 2.58Å; L165-D168 VanDerWaalsContact O-N 3.07Å; D168-D170 VanDerWaalsContact C-N 3.33Å; D168-D170 PolarHBondContact O-N 2.89Å; D168-D170 WeakPolarHBondContact OD1-CA 3.26Å; D168-D170 WeakPolarHBondContact OD1-CB 3.26Å; D168-D170 PolarHBondContact OD1-N 3.24Å; D168-V171 HydrophobicContact CB-CB 4.41Å; D168-V171 HydrophobicContact CB-CG2 4.15Å; D168-V171 PolarHBondContact O-N 3.45Å; D168-C172 PolarHBondContact O-N 2.99Å; D168-C172 PolarHBondContact O-SG 3.23Å
169	E	96.4	Very high	93.6	Very high	138 Å²	138	49 Å²	49	65%	0.645	25%	0.252	S	S	*	.	H	α-helix	trans	-61.8	-37.4	-179	66.3	-172.4	172.4	0	0	112.7	K110 V171 C172 E173	K110-E169 IonicContact NZ-OE1 3.63Å; K110-E169 PolarHBondContact NZ-OE1 3.11Å; E169-V171 VanDerWaalsContact C-N 3.33Å; E169-C172 PolarHBondContact O-N 3.3Å; E169-E173 WeakPolarHBondContact O-CB 3.46Å; E169-E173 PolarHBondContact O-N 2.84Å
170	D	96.5	Very high	93.2	Very high	15 Å²	15	56.5 Å²	56.5	8%	0.08	29%	0.287	C	S	.	.	H	α-helix	trans	-70.4	-33.9	179.3	-70.1	-61	0	0	0	110.9	L103 R106 K110 D168 F174	L103-D170 HydrophobicContact CD1-CB 3.84Å; R106-D170 WeakPolarHBondContact CD-OD1 3.33Å; R106-D170 IonicContact CZ-OD1 2.72Å; R106-D170 IonicContact NE-OD1 3.02Å; R106-D170 PolarHBondContact NE-OD1 3.08Å; R106-D170 IonicContact NE-OD2 3.66Å; R106-D170 IonicContact NH2-OD1 2.68Å; K110-D170 WeakPolarHBondContact CE-OD2 3.42Å; K110-D170 IonicContact NZ-OD2 2.9Å; K110-D170 PolarHBondContact NZ-OD2 3.42Å; D168-D170 VanDerWaalsContact C-N 3.33Å; D168-D170 PolarHBondContact O-N 2.89Å; D168-D170 WeakPolarHBondContact OD1-CA 3.26Å; D168-D170 WeakPolarHBondContact OD1-CB 3.26Å; D168-D170 PolarHBondContact OD1-N 3.24Å; D170-F174 WeakPolarHBondContact O-CB 3.45Å; D170-F174 PolarHBondContact O-N 3.35Å
171	V	96.6	Very high	92.9	Very high	1 Å²	1	57 Å²	57	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-69	-43.1	174.5	176.1	0	0	0	0	110	L103 L107 V159 L160 L165 D168 E169 F174 L175	L103-V171 HydrophobicContact CD1-CG2 4Å; L107-V171 HydrophobicContact CD1-CG2 4.04Å; L107-V171 HydrophobicContact CD2-CG2 4.07Å; V159-V171 HydrophobicContact CG1-CG1 4.1Å; V159-V171 HydrophobicContact CG1-CG2 3.72Å; L160-V171 HydrophobicContact CD2-CG1 4.07Å; L165-V171 WeakPolarHBondContact O-CG2 3.47Å; D168-V171 HydrophobicContact CB-CB 4.41Å; D168-V171 HydrophobicContact CB-CG2 4.15Å; D168-V171 PolarHBondContact O-N 3.45Å; E169-V171 VanDerWaalsContact C-N 3.33Å; V171-F174 PolarHBondContact O-N 2.8Å; V171-L175 HydrophobicContact CG1-CD1 4Å; V171-L175 WeakPolarHBondContact O-CG 3.49Å; V171-L175 PolarHBondContact O-N 3.5Å
172	C	94.9	Very high	92.6	Very high	43 Å²	43	61.1 Å²	61.1	29%	0.291	32%	0.316	S	S	.	.	H	α-helix	trans	-60.9	-49.9	175.8	-66.5	0	0	0	0	111.6	D168 E169 F174 L175 Q176	D168-C172 PolarHBondContact O-N 2.99Å; D168-C172 PolarHBondContact O-SG 3.23Å; E169-C172 PolarHBondContact O-N 3.3Å; C172-F174 VanDerWaalsContact C-N 3.32Å; C172-F174 PolarHBondContact O-N 2.91Å; C172-L175 PolarHBondContact O-N 2.92Å; C172-Q176 VanDerWaalsContact O-CB 3.29Å; C172-Q176 WeakPolarHBondContact O-CB 3.46Å; C172-Q176 VanDerWaalsContact O-CG 3.29Å; C172-Q176 WeakPolarHBondContact O-CG 3.46Å; C172-Q176 PolarHBondContact O-N 3.02Å
173	E	95.6	Very high	91.7	Very high	80 Å²	80	69.7 Å²	69.7	37%	0.374	35%	0.348	S	S	.	.	H	α-helix	trans	-58.6	-46.1	175.9	-173.8	-172.2	-151.2	0	0	110.7	R95 E169 L175 Q176 H177 L181	R95-E173 PolarHBondContact NH2-O 3Å; E169-E173 WeakPolarHBondContact O-CB 3.46Å; E169-E173 PolarHBondContact O-N 2.84Å; E173-L175 PolarHBondContact O-N 2.79Å; E173-Q176 PolarHBondContact O-N 2.81Å; E173-H177 HydrophobicContact CG-CB 4.12Å; E173-H177 WeakPolarHBondContact O-CB 3.46Å; E173-H177 PolarHBondContact O-N 2.81Å; E173-L181 HydrophobicContact CG-CD2 3.93Å
174	F	96.9	Very high	90.8	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.5	-34.2	179	-179.4	-86.9	0	0	0	112.9	R95 D99 F100 L103 L156 D170 V171 C172 L181	R95-F174 HydrophobicContact CB-CE2 4.19Å; R95-F174 HydrophobicContact CB-CZ 3.89Å; R95-F174 HydrophobicContact CG-CD2 4.49Å; R95-F174 HydrophobicContact CG-CE1 4.06Å; R95-F174 HydrophobicContact CG-CE2 3.84Å; R95-F174 HydrophobicContact CG-CZ 3.58Å; R95-F174 PolarHBondContact NE-O 3.24Å; R95-F174 PolarHBondContact NH2-O 3.06Å; D99-F174 HydrophobicContact CB-CE2 3.89Å; F100-F174 HydrophobicContact CD1-CE1 4.32Å; F100-F174 HydrophobicContact CD1-CE2 4.47Å; F100-F174 AromaticContact CD1-CZ 3.67Å; F100-F174 HydrophobicContact CD1-CZ 3.67Å; F100-F174 HydrophobicContact CD2-CE2 4.36Å; F100-F174 AromaticContact CD2-CZ 3.94Å; F100-F174 HydrophobicContact CD2-CZ 3.94Å; F100-F174 HydrophobicContact CE1-CE1 4.06Å; F100-F174 AromaticContact CE1-CZ 3.64Å; F100-F174 HydrophobicContact CE1-CZ 3.64Å; F100-F174 AromaticContact CE2-CZ 3.88Å; F100-F174 HydrophobicContact CE2-CZ 3.88Å; F100-F174 HydrophobicContact CG-CE2 4.28Å; F100-F174 AromaticContact CG-CZ 3.83Å; F100-F174 HydrophobicContact CG-CZ 3.83Å; F100-F174 HydrophobicContact CZ-CE1 4.34Å; F100-F174 AromaticContact CZ-CZ 3.73Å; F100-F174 HydrophobicContact CZ-CZ 3.73Å; L103-F174 HydrophobicContact CB-CD2 4.15Å; L103-F174 HydrophobicContact CD1-CB 4.32Å; L103-F174 HydrophobicContact CD2-CB 4.1Å; L103-F174 HydrophobicContact CD2-CD1 3.91Å; L103-F174 HydrophobicContact CD2-CD2 4.04Å; L103-F174 HydrophobicContact CD2-CE1 4.38Å; L103-F174 HydrophobicContact CD2-CE2 4.47Å; L103-F174 HydrophobicContact CD2-CG 3.73Å; L156-F174 HydrophobicContact CD1-CE1 3.99Å; L156-F174 HydrophobicContact CD2-CD1 4.27Å; L156-F174 HydrophobicContact CD2-CE1 3.87Å; D170-F174 WeakPolarHBondContact O-CB 3.45Å; D170-F174 PolarHBondContact O-N 3.35Å; V171-F174 PolarHBondContact O-N 2.8Å; C172-F174 VanDerWaalsContact C-N 3.32Å; C172-F174 PolarHBondContact O-N 2.91Å; F174-L181 HydrophobicContact CB-CD1 4.45Å; F174-L181 HydrophobicContact CD2-CD1 3.62Å; F174-L181 HydrophobicContact CE2-CD1 4.3Å; F174-L181 HydrophobicContact CG-CD1 4.38Å
175	L	95.5	Very high	89.3	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-91.5	-23.3	-177.7	-66.8	179.3	0	0	0	114.6	V82 T84 L86 V93 L156 L160 V171 C172 E173	V82-L175 HydrophobicContact CG1-CD2 3.78Å; T84-L175 HydrophobicContact CG2-CD1 4.22Å; T84-L175 HydrophobicContact CG2-CD2 3.71Å; T84-L175 HydrophobicContact CG2-CG 4.49Å; L86-L175 HydrophobicContact CD1-CD1 4Å; V93-L175 WeakPolarHBondContact CG1-O 3.28Å; V93-L175 WeakPolarHBondContact CG2-O 3.4Å; L156-L175 HydrophobicContact CD1-CD2 4.3Å; L160-L175 HydrophobicContact CD1-CD1 4.13Å; L160-L175 HydrophobicContact CD2-CD1 3.68Å; L160-L175 HydrophobicContact CG-CD1 4.38Å; V171-L175 HydrophobicContact CG1-CD1 4Å; V171-L175 WeakPolarHBondContact O-CG 3.49Å; V171-L175 PolarHBondContact O-N 3.5Å; C172-L175 PolarHBondContact O-N 2.92Å; E173-L175 PolarHBondContact O-N 2.79Å
176	Q	94	Very high	87.6	Confident	82 Å²	82	75 Å²	75	38%	0.383	38%	0.379	S	S	.	.	H	α-helix	trans	-115.8	-21.2	-167.6	-57	176.6	29.9	0	0	113.6	F91 C172 E173 E178	F91-Q176 HydrophobicContact CD1-CB 4.09Å; F91-Q176 HydrophobicContact CD1-CG 3.78Å; F91-Q176 HydrophobicContact CD2-CG 4.14Å; F91-Q176 HydrophobicContact CE1-CB 4.1Å; F91-Q176 HydrophobicContact CE1-CG 3.66Å; F91-Q176 HydrophobicContact CE2-CG 4.04Å; F91-Q176 HydrophobicContact CG-CG 4.02Å; F91-Q176 HydrophobicContact CZ-CG 3.79Å; C172-Q176 VanDerWaalsContact O-CB 3.29Å; C172-Q176 WeakPolarHBondContact O-CB 3.46Å; C172-Q176 VanDerWaalsContact O-CG 3.29Å; C172-Q176 WeakPolarHBondContact O-CG 3.46Å; C172-Q176 PolarHBondContact O-N 3.02Å; E173-Q176 PolarHBondContact O-N 2.81Å; Q176-E178 PolarHBondContact O-N 3.08Å
177	H	93.5	Very high	86	Confident	85 Å²	85	71 Å²	71	39%	0.394	37%	0.366	S	S	.	.			trans	-73.9	114.3	-178.6	-172.7	73.4	0	0	0	111.4	R95 E173 G179 L181	R95-H177 PolarHBondContact NH1-O 3.35Å; R95-H177 VanDerWaalsContact NH1-O 3.11Å; R95-H177 PolarHBondContact NH2-O 3.44Å; E173-H177 HydrophobicContact CG-CB 4.12Å; E173-H177 WeakPolarHBondContact O-CB 3.46Å; E173-H177 PolarHBondContact O-N 2.81Å; H177-G179 VanDerWaalsContact C-N 3.27Å; H177-G179 PolarHBondContact CD2-N 3.37Å; H177-G179 PolarHBondContact CD2-O 3.41Å; H177-G179 PolarHBondContact O-N 2.83Å; H177-L181 HydrophobicContact CB-CD2 4.24Å
178	E	87.8	Confident	84	Confident	178 Å²	178	72.1 Å²	72.1	83%	0.832	37%	0.369	S	S	*	.			trans	-69.5	-23	-176.4	-66.4	179.6	171.9	0	0	113.5	Q176	Q176-E178 PolarHBondContact O-N 3.08Å
179	G	88.3	Confident	81.8	Confident	33 Å²	33	77 Å²	77	34%	0.34	39%	0.394	S	S	.	.	S	Bend	trans	-81.5	176.8	-179.9	0	0	0	0	0	115.4	R95 H177 L181	R95-G179 PolarHBondContact NH1-O 2.85Å; H177-G179 VanDerWaalsContact C-N 3.27Å; H177-G179 PolarHBondContact CD2-N 3.37Å; H177-G179 PolarHBondContact CD2-O 3.41Å; H177-G179 PolarHBondContact O-N 2.83Å; G179-L181 PolarHBondContact O-N 3.17Å
180	E	85.5	Confident	79.5	Confident	158 Å²	158	73.8 Å²	73.8	74%	0.738	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-66.4	127.6	169.5	-68.4	-163.2	162	0	0	110.5
181	L	87.5	Confident	77.1	Confident	11 Å²	11	75.4 Å²	75.4	6%	0.058	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-69.2	148.1	172.3	-66.2	174.9	0	0	0	110.6	D99 E173 F174 H177 G179 R183	D99-L181 HydrophobicContact CB-CD1 4.24Å; E173-L181 HydrophobicContact CG-CD2 3.93Å; F174-L181 HydrophobicContact CB-CD1 4.45Å; F174-L181 HydrophobicContact CD2-CD1 3.62Å; F174-L181 HydrophobicContact CE2-CD1 4.3Å; F174-L181 HydrophobicContact CG-CD1 4.38Å; H177-L181 HydrophobicContact CB-CD2 4.24Å; G179-L181 PolarHBondContact O-N 3.17Å; L181-R183 PolarHBondContact O-N 3.11Å
182	P	82.7	Confident	74.3	Confident	99 Å²	99	76.5 Å²	76.5	64%	0.643	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-49.5	131.6	172.9	-26.5	33.7	0	0	0	111.2	A184	P182-A184 PolarHBondContact O-N 3.49Å
183	R	73.7	Confident	71.8	Confident	186 Å²	186	78.3 Å²	78.3	70%	0.702	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-59.6	118.2	-177.3	-62.2	-175.7	85.1	161.6	8.6	109.2	L181 T185	L181-R183 PolarHBondContact O-N 3.11Å; R183-T185 PolarHBondContact O-N 3.28Å
184	A	70.6	Confident	69.2	Low	21 Å²	21	78.1 Å²	78.1	17%	0.174	44%	0.435	C	S	.	.			trans	-61.8	104.9	171.7	0	0	0	0	0	109.7	P182 N186 T187	P182-A184 PolarHBondContact O-N 3.49Å; A184-N186 VanDerWaalsContact C-N 3.28Å; A184-N186 PolarHBondContact O-N 3.35Å; A184-T187 HydrophobicContact CB-CG2 3.48Å; A184-T187 VanDerWaalsContact CB-CG2 3.48Å
185	T	61.3	Low	66.8	Low	141 Å²	141	80.2 Å²	80.2	87%	0.865	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-21.1	-175.5	38.6	0	0	0	0	112.9	R183	R183-T185 PolarHBondContact O-N 3.28Å
186	N	60.2	Low	64.6	Low	72 Å²	72	85.7 Å²	85.7	39%	0.385	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	15.3	-167.6	-154.1	22.6	0	0	0	115.3	E105 A184 Q188 L189	E105-N186 WeakPolarHBondContact OE1-CB 3.43Å; E105-N186 PolarHBondContact OE1-ND2 3.5Å; A184-N186 VanDerWaalsContact C-N 3.28Å; A184-N186 PolarHBondContact O-N 3.35Å; N186-Q188 PolarHBondContact O-N 3.2Å; N186-L189 PolarHBondContact O-N 2.63Å; N186-L189 VanDerWaalsContact OD1-CD1 3.31Å; N186-L189 WeakPolarHBondContact OD1-CD1 3.3Å
187	T	59	Low	62.5	Low	16 Å²	16	89.3 Å²	89.3	10%	0.098	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-1.6	179.6	60.1	0	0	0	0	114.7	L101 A184	L101-T187 HydrophobicContact CB-CG2 3.58Å; L101-T187 HydrophobicContact CD1-CG2 4.28Å; A184-T187 HydrophobicContact CB-CG2 3.48Å; A184-T187 VanDerWaalsContact CB-CG2 3.48Å
188	Q	52	Low	60.5	Low	147 Å²	147	90.1 Å²	90.1	69%	0.687	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-26.2	176.8	-61.4	-140.9	-19.6	0	0	113.2	N186 L190	N186-Q188 PolarHBondContact O-N 3.2Å; Q188-L190 VanDerWaalsContact C-N 3.3Å; Q188-L190 PolarHBondContact O-N 3.4Å
189	L	48.6	Very low	58.5	Low	110 Å²	110	85 Å²	85	58%	0.576	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-71.2	-23.2	-177.8	-67.3	178	0	0	0	113.5	N186 S191 G192	N186-L189 PolarHBondContact O-N 2.63Å; N186-L189 VanDerWaalsContact OD1-CD1 3.31Å; N186-L189 WeakPolarHBondContact OD1-CD1 3.3Å; L189-S191 PolarHBondContact O-N 2.82Å; L189-G192 PolarHBondContact O-N 3.43Å; L189-G192 VanDerWaalsContact O-N 3.16Å
190	L	49.1	Very low	56.6	Low	71 Å²	71	90.4 Å²	90.4	37%	0.372	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-68.8	-4.6	-178.2	-64.5	171.1	0	0	0	114.3	L101 Q188	L101-L190 HydrophobicContact CB-CD1 3.79Å; L101-L190 HydrophobicContact CD2-CD1 3.84Å; L101-L190 HydrophobicContact CG-CD1 4.25Å; Q188-L190 VanDerWaalsContact C-N 3.3Å; Q188-L190 PolarHBondContact O-N 3.4Å
191	S	46.6	Very low	54.8	Low	48 Å²	48	88.1 Å²	88.1	34%	0.336	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-121.5	7.8	173.2	74.3	0	0	0	0	114.3	L189	L189-S191 PolarHBondContact O-N 2.82Å
192	G	37.9	Very low	52.7	Low	25 Å²	25	89.4 Å²	89.4	26%	0.258	50%	0.496	S	S	.	.			trans	-79.9	127.7	-169.2	0	0	0	0	0	114.3	L189 A194 A195	L189-G192 PolarHBondContact O-N 3.43Å; L189-G192 VanDerWaalsContact O-N 3.16Å; G192-A194 PolarHBondContact O-N 3.11Å; G192-A195 PolarHBondContact O-N 2.88Å
193	A	41.1	Very low	51.2	Low	80 Å²	80	86.5 Å²	86.5	66%	0.661	49%	0.485	S	S	*	.	H	α-helix	trans	-52.4	-18.9	168	0	0	0	0	0	114.3	I196 K197	A193-I196 PolarHBondContact O-N 2.8Å; A193-K197 PolarHBondContact O-N 3.31Å
194	A	42.2	Very low	50.2	Low	77 Å²	77	82.7 Å²	82.7	64%	0.636	48%	0.478	S	S	*	.	H	α-helix	trans	-65.4	-38.4	173.2	0	0	0	0	0	112.9	G192 V198	G192-A194 PolarHBondContact O-N 3.11Å; A194-V198 WeakPolarHBondContact O-CG2 3.23Å; A194-V198 PolarHBondContact O-N 2.84Å
195	A	45.3	Very low	49.4	Very low	44 Å²	44	82.7 Å²	82.7	36%	0.364	48%	0.478	S	S	.	.	H	α-helix	trans	-67.3	-39.5	176.3	0	0	0	0	0	111.4	G192 K197 V198 M199	G192-A195 PolarHBondContact O-N 2.88Å; A195-K197 PolarHBondContact O-N 3.03Å; A195-V198 PolarHBondContact O-N 3.27Å; A195-M199 HydrophobicContact CB-CE 3.82Å; A195-M199 PolarHBondContact O-N 3Å
196	I	49	Very low	49	Very low	115 Å²	115	77.6 Å²	77.6	59%	0.59	45%	0.445	S	S	*	.	H	α-helix	trans	-62.8	-39.9	179.4	-61.1	175.8	0	0	0	111.6	A193 M199 K200	A193-I196 PolarHBondContact O-N 2.8Å; I196-M199 PolarHBondContact O-N 3.39Å; I196-K200 PolarHBondContact O-N 3.17Å
197	K	49.9	Very low	48.7	Very low	159 Å²	159	76.8 Å²	76.8	69%	0.691	45%	0.453	S	S	*	.	H	α-helix	trans	-71.2	-33.7	-179.1	-160.8	175.1	-177.3	-179.3	0	112.5	A193 A195	A193-K197 PolarHBondContact O-N 3.31Å; A195-K197 PolarHBondContact O-N 3.03Å
198	V	51.7	Low	48.2	Very low	102 Å²	102	84.2 Å²	84.2	62%	0.618	49%	0.485	S	S	*	.	H	α-helix	trans	-70.3	-41.2	172.7	178.3	0	0	0	0	110.7	A194 A195 L202	A194-V198 WeakPolarHBondContact O-CG2 3.23Å; A194-V198 PolarHBondContact O-N 2.84Å; A195-V198 PolarHBondContact O-N 3.27Å; V198-L202 WeakPolarHBondContact O-CB 3.31Å; V198-L202 PolarHBondContact O-N 2.87Å
199	M	45.7	Very low	47.9	Very low	69 Å²	69	78.5 Å²	78.5	34%	0.34	46%	0.459	S	S	.	.	H	α-helix	trans	-63.5	-45	177.6	-83.9	-177	-105.9	0	0	113.7	A195 I196 N201 L202 G203 Q320	A195-M199 HydrophobicContact CB-CE 3.82Å; A195-M199 PolarHBondContact O-N 3Å; I196-M199 PolarHBondContact O-N 3.39Å; M199-N201 VanDerWaalsContact C-N 3.33Å; M199-N201 PolarHBondContact O-N 3.48Å; M199-L202 PolarHBondContact O-N 3.33Å; M199-L202 VanDerWaalsContact O-N 3.08Å; M199-G203 PolarHBondContact O-N 3.15Å; M199-Q320 PolarHBondContact SD-NE2 2.67Å
200	K	48.4	Very low	47.8	Very low	148 Å²	148	76.7 Å²	76.7	64%	0.643	46%	0.459	S	S	*	.	H	α-helix	trans	-62.9	-41.2	-179.1	-171.7	171.2	-178.7	171.1	0	112.1	I196 L202 G203 D204	I196-K200 PolarHBondContact O-N 3.17Å; K200-L202 PolarHBondContact O-N 2.68Å; K200-G203 PolarHBondContact O-N 2.98Å; K200-D204 PolarHBondContact O-N 3.24Å
201	N	49.5	Very low	48.1	Very low	110 Å²	110	79.4 Å²	79.4	59%	0.588	47%	0.466	S	S	*	.	H	α-helix	trans	-67.1	-26.6	176	-69.6	-7.3	0	0	0	112.4	M199 A205	M199-N201 VanDerWaalsContact C-N 3.33Å; M199-N201 PolarHBondContact O-N 3.48Å; N201-A205 WeakPolarHBondContact O-CB 3.45Å
202	L	42.7	Very low	47.9	Very low	37 Å²	37	87 Å²	87	19%	0.194	49%	0.492	C	S	.	.	H	α-helix	trans	-83.3	-37.2	177.6	-167.2	52.8	0	0	0	112.1	V198 M199 K200 A205 I206 S327	V198-L202 WeakPolarHBondContact O-CB 3.31Å; V198-L202 PolarHBondContact O-N 2.87Å; M199-L202 PolarHBondContact O-N 3.33Å; M199-L202 VanDerWaalsContact O-N 3.08Å; K200-L202 PolarHBondContact O-N 2.68Å; L202-A205 HydrophobicContact CD1-CB 4.5Å; L202-A205 CarbonylContact O-C 3.54Å; L202-A205 WeakPolarHBondContact O-CA 3.43Å; L202-A205 VanDerWaalsContact O-CB 3.25Å; L202-A205 WeakPolarHBondContact O-CB 3.38Å; L202-A205 PolarHBondContact O-N 3.47Å; L202-I206 WeakPolarHBondContact O-CG1 3.25Å; L202-I206 PolarHBondContact O-N 3.18Å; L202-S327 VanDerWaalsContact CD2-CB 3.42Å
203	G	50.4	Low	48.5	Very low	39 Å²	39	87.1 Å²	87.1	40%	0.402	49%	0.488	S	S	.	.	H	α-helix	trans	-60.8	-45.6	173.7	0	0	0	0	0	113.1	M199 K200 A205 I206 G207	M199-G203 PolarHBondContact O-N 3.15Å; K200-G203 PolarHBondContact O-N 2.98Å; G203-A205 PolarHBondContact O-N 3Å; G203-I206 PolarHBondContact O-N 3.5Å; G203-G207 PolarHBondContact O-N 3.01Å
204	D	53.8	Low	49.1	Very low	106 Å²	106	91.3 Å²	91.3	57%	0.567	50%	0.5	S	S	*	.	H	α-helix	trans	-64.4	-24.9	172.3	-75.9	-20.1	0	0	0	112.3	K200	K200-D204 PolarHBondContact O-N 3.24Å
205	A	53.5	Low	49.9	Very low	20 Å²	20	91.5 Å²	91.5	17%	0.165	49%	0.49	C	S	.	.	H	α-helix	trans	-77.2	-43.4	176	0	0	0	0	0	110.5	N201 L202 G203 G207 K208 L209	N201-A205 WeakPolarHBondContact O-CB 3.45Å; L202-A205 HydrophobicContact CD1-CB 4.5Å; L202-A205 CarbonylContact O-C 3.54Å; L202-A205 WeakPolarHBondContact O-CA 3.43Å; L202-A205 VanDerWaalsContact O-CB 3.25Å; L202-A205 WeakPolarHBondContact O-CB 3.38Å; L202-A205 PolarHBondContact O-N 3.47Å; G203-A205 PolarHBondContact O-N 3Å; A205-G207 VanDerWaalsContact C-N 3.31Å; A205-G207 PolarHBondContact O-N 3Å; A205-K208 CarbonylContact O-C 3.56Å; A205-K208 WeakPolarHBondContact O-CA 3.04Å; A205-K208 PolarHBondContact O-N 3.43Å; A205-L209 HydrophobicContact CB-CD1 3.61Å; A205-L209 WeakPolarHBondContact O-CD1 3.44Å; A205-L209 WeakPolarHBondContact O-CG 3.39Å; A205-L209 PolarHBondContact O-N 3.07Å
206	I	52.5	Low	50.4	Low	35 Å²	35	94.1 Å²	94.1	18%	0.179	50%	0.503	C	S	.	.	H	α-helix	trans	-53.8	-47.3	178.9	-70.8	164.9	0	0	0	110.9	L202 G203 K208 L209 A229 S327 V330	L202-I206 WeakPolarHBondContact O-CG1 3.25Å; L202-I206 PolarHBondContact O-N 3.18Å; G203-I206 PolarHBondContact O-N 3.5Å; I206-K208 PolarHBondContact O-N 3.46Å; I206-K208 VanDerWaalsContact O-N 3.12Å; I206-L209 PolarHBondContact O-N 2.97Å; I206-A229 HydrophobicContact CG2-CB 4.08Å; I206-S327 WeakPolarHBondContact CD1-OG 3.34Å; I206-V330 HydrophobicContact CG1-CG2 4.49Å
207	G	54.5	Low	50.9	Low	54 Å²	54	96.2 Å²	96.2	56%	0.557	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.5	176.6	0	0	0	0	0	114.9	G203 A205	G203-G207 PolarHBondContact O-N 3.01Å; A205-G207 VanDerWaalsContact C-N 3.31Å; A205-G207 PolarHBondContact O-N 3Å
208	K	47.9	Very low	51.4	Low	173 Å²	173	91.4 Å²	91.4	75%	0.752	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-5.8	-178.3	-68.5	-177	-178.4	177	0	114.8	A205 I206	A205-K208 CarbonylContact O-C 3.56Å; A205-K208 WeakPolarHBondContact O-CA 3.04Å; A205-K208 PolarHBondContact O-N 3.43Å; I206-K208 PolarHBondContact O-N 3.46Å; I206-K208 VanDerWaalsContact O-N 3.12Å
209	L	46.8	Very low	51.9	Low	27 Å²	27	90.7 Å²	90.7	14%	0.141	48%	0.483	C	S	.	.			trans	-94	16.9	178.9	-71.5	125.3	0	0	0	113.1	A205 I206 Y211 V330	A205-L209 HydrophobicContact CB-CD1 3.61Å; A205-L209 WeakPolarHBondContact O-CD1 3.44Å; A205-L209 WeakPolarHBondContact O-CG 3.39Å; A205-L209 PolarHBondContact O-N 3.07Å; I206-L209 PolarHBondContact O-N 2.97Å; L209-Y211 VanDerWaalsContact CA-CE2 3.48Å; L209-Y211 HydrophobicContact CB-CD2 4.13Å; L209-Y211 HydrophobicContact CB-CE2 3.45Å; L209-Y211 VanDerWaalsContact CB-CE2 3.45Å; L209-Y211 HydrophobicContact CD2-CD2 4.5Å; L209-Y211 HydrophobicContact CD2-CE2 3.29Å; L209-Y211 WeakPolarHBondContact CD2-OH 3.45Å; L209-Y211 HydrophobicContact CG-CE2 3.58Å; L209-Y211 WeakPolarHBondContact O-CD2 3.42Å; L209-Y211 WeakPolarHBondContact O-CE2 3.31Å; L209-Y211 PolarHBondContact O-N 2.89Å; L209-V330 HydrophobicContact CD1-CG1 3.64Å; L209-V330 HydrophobicContact CD2-CG1 4.1Å; L209-V330 HydrophobicContact CG-CG1 4.48Å
210	A	45.6	Very low	53.2	Low	71 Å²	71	91.8 Å²	91.8	59%	0.587	49%	0.494	S	S	*	.			trans	-63.6	84.3	157.3	0	0	0	0	0	108.1	Y226	A210-Y226 HydrophobicContact CB-CD2 4.23Å; A210-Y226 HydrophobicContact CB-CE2 4.41Å
211	Y	54.8	Low	54.6	Low	129 Å²	129	85.9 Å²	85.9	51%	0.506	47%	0.473	S	S	.	.			trans	-80.9	141.9	172.2	-63.5	-79.4	0	0	0	108.8	L209 V213	L209-Y211 VanDerWaalsContact CA-CE2 3.48Å; L209-Y211 HydrophobicContact CB-CD2 4.13Å; L209-Y211 HydrophobicContact CB-CE2 3.45Å; L209-Y211 VanDerWaalsContact CB-CE2 3.45Å; L209-Y211 HydrophobicContact CD2-CD2 4.5Å; L209-Y211 HydrophobicContact CD2-CE2 3.29Å; L209-Y211 WeakPolarHBondContact CD2-OH 3.45Å; L209-Y211 HydrophobicContact CG-CE2 3.58Å; L209-Y211 WeakPolarHBondContact O-CD2 3.42Å; L209-Y211 WeakPolarHBondContact O-CE2 3.31Å; L209-Y211 PolarHBondContact O-N 2.89Å; Y211-V213 PolarHBondContact O-N 2.89Å; Y211-V213 VanDerWaalsContact O-N 3.11Å
212	K	42.8	Very low	56.2	Low	206 Å²	206	82.9 Å²	82.9	90%	0.896	46%	0.455	S	S	*	.			trans	-64.3	112.9	170.3	-65.5	-175.7	176.5	-174.2	0	107.8
213	V	50.7	Low	58.4	Low	29 Å²	29	86.1 Å²	86.1	18%	0.176	47%	0.469	C	S	.	.			trans	-93.8	131.1	170.3	-179.7	0	0	0	0	107.4	Y211 D215 E218 E222	Y211-V213 PolarHBondContact O-N 2.89Å; Y211-V213 VanDerWaalsContact O-N 3.11Å; V213-D215 VanDerWaalsContact C-N 3.28Å; V213-D215 HydrophobicContact CG1-CB 4.13Å; V213-E218 HydrophobicContact CG1-CB 3.68Å; V213-E218 HydrophobicContact CG1-CG 3.75Å; V213-E218 VanDerWaalsContact CG1-OE2 3.22Å; V213-E218 WeakPolarHBondContact CG1-OE2 3.46Å; V213-E218 HydrophobicContact CG2-CG 4.48Å; V213-E222 HydrophobicContact CG2-CG 4.34Å
214	D	53.8	Low	60.3	Low	168 Å²	168	86.9 Å²	86.9	90%	0.898	46%	0.461	S	S	*	.	S	Bend	trans	-78.2	-12.9	-179.2	-69.3	-38.5	0	0	0	112.5
215	D	57.6	Low	62.2	Low	81 Å²	81	82.3 Å²	82.3	43%	0.433	44%	0.437	S	S	.	.			trans	-93.2	122	178.4	-167.8	-36.7	0	0	0	111.9	V213 E217 E218 N219	V213-D215 VanDerWaalsContact C-N 3.28Å; V213-D215 HydrophobicContact CG1-CB 4.13Å; D215-E217 PolarHBondContact O-N 3.01Å; D215-E217 PolarHBondContact OD1-N 3.26Å; D215-E218 HydrophobicContact CB-CB 4.07Å; D215-E218 PolarHBondContact O-N 3.08Å; D215-N219 WeakPolarHBondContact O-CB 3.38Å; D215-N219 PolarHBondContact O-N 3.34Å
216	P	57.7	Low	63.9	Low	98 Å²	98	87.5 Å²	87.5	64%	0.636	45%	0.453	S	S	*	.	H	α-helix	trans	-58.4	-38.5	178.7	-21.9	31.5	0	0	0	114.8	N219 T220	P216-N219 WeakPolarHBondContact O-CB 3.35Å; P216-N219 PolarHBondContact O-N 3.07Å; P216-T220 PolarHBondContact O-N 3.25Å
217	E	58.8	Low	65.8	Low	159 Å²	159	90.2 Å²	90.2	74%	0.743	47%	0.465	S	S	*	.	H	α-helix	trans	-71.4	-42.3	-177.2	-70	-172.3	-179	0	0	110.7	D215 N219 T220 A221	D215-E217 PolarHBondContact O-N 3.01Å; D215-E217 PolarHBondContact OD1-N 3.26Å; E217-N219 VanDerWaalsContact C-N 3.32Å; E217-N219 PolarHBondContact O-N 3.31Å; E217-T220 PolarHBondContact O-N 2.56Å; E217-T220 PolarHBondContact O-OG1 3.28Å; E217-A221 PolarHBondContact O-N 3.05Å
218	E	59.6	Low	67.7	Low	59 Å²	59	88.9 Å²	88.9	28%	0.276	44%	0.444	S	S	.	.	H	α-helix	trans	-66.2	-35.3	174.2	-167.5	177.2	-168.3	0	0	111.1	V213 D215 T220 A221 E222	V213-E218 HydrophobicContact CG1-CB 3.68Å; V213-E218 HydrophobicContact CG1-CG 3.75Å; V213-E218 VanDerWaalsContact CG1-OE2 3.22Å; V213-E218 WeakPolarHBondContact CG1-OE2 3.46Å; V213-E218 HydrophobicContact CG2-CG 4.48Å; D215-E218 HydrophobicContact CB-CB 4.07Å; D215-E218 PolarHBondContact O-N 3.08Å; E218-T220 PolarHBondContact O-N 3.41Å; E218-A221 PolarHBondContact O-N 3.27Å; E218-A221 VanDerWaalsContact O-N 3.17Å; E218-E222 PolarHBondContact O-N 2.81Å
219	N	63.3	Low	69.9	Low	86 Å²	86	81.3 Å²	81.3	46%	0.46	41%	0.413	S	S	.	.	H	α-helix	trans	-61	-40	175.2	-159.9	25.2	0	0	0	112.3	D215 P216 E217 E222 E223	D215-N219 WeakPolarHBondContact O-CB 3.38Å; D215-N219 PolarHBondContact O-N 3.34Å; P216-N219 WeakPolarHBondContact O-CB 3.35Å; P216-N219 PolarHBondContact O-N 3.07Å; E217-N219 VanDerWaalsContact C-N 3.32Å; E217-N219 PolarHBondContact O-N 3.31Å; N219-E222 PolarHBondContact O-N 2.99Å; N219-E223 WeakPolarHBondContact O-CB 3.19Å; N219-E223 PolarHBondContact O-N 3.3Å
220	T	73.1	Confident	72.1	Confident	92 Å²	92	84.7 Å²	84.7	56%	0.564	43%	0.432	S	S	*	.	H	α-helix	trans	-67.1	-35.7	174.8	64.8	0	0	0	0	113.2	P216 E217 E218 F224	P216-T220 PolarHBondContact O-N 3.25Å; E217-T220 PolarHBondContact O-N 2.56Å; E217-T220 PolarHBondContact O-OG1 3.28Å; E218-T220 PolarHBondContact O-N 3.41Å; T220-F224 PolarHBondContact O-N 3.18Å
221	A	76.4	Confident	74.4	Confident	25 Å²	25	85.1 Å²	85.1	21%	0.207	42%	0.421	C	S	.	.	H	α-helix	trans	-69.1	-39.4	176.9	0	0	0	0	0	111.6	E217 E218 F224 F225	E217-A221 PolarHBondContact O-N 3.05Å; E218-A221 PolarHBondContact O-N 3.27Å; E218-A221 VanDerWaalsContact O-N 3.17Å; A221-F224 WeakPolarHBondContact O-CB 3.13Å; A221-F224 PolarHBondContact O-N 3.4Å; A221-F225 WeakPolarHBondContact O-CD2 3.25Å; A221-F225 WeakPolarHBondContact O-CE2 3.48Å
222	E	84.8	Confident	76.4	Confident	46 Å²	46	79.2 Å²	79.2	22%	0.215	40%	0.399	C	S	.	.	H	α-helix	trans	-69.7	-36.8	175.7	-68.6	-51	138.1	0	0	112.6	V213 E218 N219 F224 F225 Y226 R329	V213-E222 HydrophobicContact CG2-CG 4.34Å; E218-E222 PolarHBondContact O-N 2.81Å; N219-E222 PolarHBondContact O-N 2.99Å; E222-F224 PolarHBondContact O-N 3.42Å; E222-F225 PolarHBondContact O-N 3.2Å; E222-F225 VanDerWaalsContact O-N 3.08Å; E222-Y226 PolarHBondContact O-N 3.28Å; E222-R329 IonicContact OE1-CZ 2.82Å; E222-R329 IonicContact OE1-NH1 3.46Å; E222-R329 PolarHBondContact OE1-NH1 3.3Å; E222-R329 IonicContact OE1-NH2 2.61Å; E222-R329 PolarHBondContact OE1-NH2 3.26Å; E222-R329 IonicContact OE2-CZ 3.59Å; E222-R329 IonicContact OE2-NH1 3.66Å; E222-R329 PolarHBondContact OE2-NH1 3.39Å; E222-R329 IonicContact OE2-NH2 3.67Å
223	E	87.8	Confident	78.9	Confident	105 Å²	105	72.6 Å²	72.6	49%	0.491	37%	0.373	S	S	.	.	H	α-helix	trans	-55.5	-41.4	174.8	-178.1	173.1	-164.2	0	0	111.7	N219 F225 Y226 Q227	N219-E223 WeakPolarHBondContact O-CB 3.19Å; N219-E223 PolarHBondContact O-N 3.3Å; E223-F225 PolarHBondContact O-N 3.39Å; E223-Y226 PolarHBondContact O-N 2.97Å; E223-Q227 HydrophobicContact CG-CG 4.33Å; E223-Q227 WeakPolarHBondContact O-CB 3.5Å; E223-Q227 VanDerWaalsContact O-CG 3.31Å; E223-Q227 WeakPolarHBondContact O-CG 3.11Å; E223-Q227 PolarHBondContact O-N 3.49Å; E223-Q227 PolarHBondContact OE1-NE2 3.34Å; E223-Q227 VanDerWaalsContact OE1-NE2 3.12Å
224	F	91.2	Very high	81.1	Confident	55 Å²	55	72.5 Å²	72.5	24%	0.241	38%	0.378	C	S	.	.	H	α-helix	trans	-55.8	-48.3	174.4	170.4	-89.6	0	0	0	112.4	T220 A221 E222 Y226 Q227 K228 K393 F396	T220-F224 PolarHBondContact O-N 3.18Å; A221-F224 WeakPolarHBondContact O-CB 3.13Å; A221-F224 PolarHBondContact O-N 3.4Å; E222-F224 PolarHBondContact O-N 3.42Å; F224-Y226 VanDerWaalsContact C-N 3.35Å; F224-Q227 PolarHBondContact O-N 3.5Å; F224-K228 HydrophobicContact CD1-CG 4.47Å; F224-K228 HydrophobicContact CD2-CG 4.49Å; F224-K228 HydrophobicContact CE1-CG 3.98Å; F224-K228 HydrophobicContact CE2-CG 4.03Å; F224-K228 HydrophobicContact CZ-CG 3.76Å; F224-K228 WeakPolarHBondContact O-CB 3.11Å; F224-K228 WeakPolarHBondContact O-CG 3.22Å; F224-K228 PolarHBondContact O-N 3.26Å; F224-K393 HydrophobicContact CD1-CG 3.94Å; F224-K393 HydrophobicContact CE1-CB 4.44Å; F224-K393 HydrophobicContact CE1-CG 3.57Å; F224-K393 HydrophobicContact CZ-CG 4.05Å; F224-F396 HydrophobicContact CZ-CB 4.44Å
225	F	93.5	Very high	83.1	Confident	10 Å²	10	67 Å²	67	4%	0.044	35%	0.345	C	S	.	.	H	α-helix	trans	-69.8	-34.7	-177.7	-65.1	-73.7	0	0	0	111.8	A221 E222 E223 A229 L326 R329 S389 I392 K393	A221-F225 WeakPolarHBondContact O-CD2 3.25Å; A221-F225 WeakPolarHBondContact O-CE2 3.48Å; E222-F225 PolarHBondContact O-N 3.2Å; E222-F225 VanDerWaalsContact O-N 3.08Å; E223-F225 PolarHBondContact O-N 3.39Å; F225-A229 WeakPolarHBondContact O-CB 3.29Å; F225-A229 PolarHBondContact O-N 3.33Å; F225-L326 HydrophobicContact CD1-CD2 3.79Å; F225-R329 VanDerWaalsContact CD2-NH1 3.33Å; F225-S389 WeakPolarHBondContact CZ-O 3.35Å; F225-I392 HydrophobicContact CD1-CG2 4.24Å; F225-I392 HydrophobicContact CE1-CB 4.1Å; F225-I392 HydrophobicContact CE1-CG2 3.71Å; F225-K393 HydrophobicContact CE1-CG 4.34Å; F225-K393 HydrophobicContact CZ-CD 4.35Å; F225-K393 HydrophobicContact CZ-CG 4.02Å
226	Y	88.9	Confident	84.9	Confident	130 Å²	130	65 Å²	65	51%	0.51	33%	0.333	S	S	.	.	H	α-helix	trans	-63.9	-49	174.7	-177.1	-94.3	0	0	0	111.6	A210 E222 E223 F224 K228 A229 D230	A210-Y226 HydrophobicContact CB-CD2 4.23Å; A210-Y226 HydrophobicContact CB-CE2 4.41Å; E222-Y226 PolarHBondContact O-N 3.28Å; E223-Y226 PolarHBondContact O-N 2.97Å; F224-Y226 VanDerWaalsContact C-N 3.35Å; Y226-K228 VanDerWaalsContact C-N 3.35Å; Y226-K228 PolarHBondContact O-N 2.6Å; Y226-A229 PolarHBondContact O-N 2.91Å; Y226-D230 PolarHBondContact O-N 2.95Å
227	Q	92.5	Very high	86.8	Confident	92 Å²	92	67.3 Å²	67.3	43%	0.43	33%	0.333	S	S	.	.	H	α-helix	trans	-60	-45.4	177.1	-70.8	176	4.3	0	0	111.1	E223 F224 A229 D230 E231	E223-Q227 HydrophobicContact CG-CG 4.33Å; E223-Q227 WeakPolarHBondContact O-CB 3.5Å; E223-Q227 VanDerWaalsContact O-CG 3.31Å; E223-Q227 WeakPolarHBondContact O-CG 3.11Å; E223-Q227 PolarHBondContact O-N 3.49Å; E223-Q227 PolarHBondContact OE1-NE2 3.34Å; E223-Q227 VanDerWaalsContact OE1-NE2 3.12Å; F224-Q227 PolarHBondContact O-N 3.5Å; Q227-A229 PolarHBondContact O-N 2.89Å; Q227-D230 PolarHBondContact O-N 3.45Å; Q227-E231 WeakPolarHBondContact O-CB 3.37Å; Q227-E231 WeakPolarHBondContact O-CG 3.34Å; Q227-E231 PolarHBondContact O-N 2.97Å
228	K	93.9	Very high	88.7	Confident	25 Å²	25	66.4 Å²	66.4	11%	0.109	33%	0.328	C	S	.	.	H	α-helix	trans	-63.6	-36.9	176.5	-76.8	-51.8	-165.9	176.2	0	113.3	F224 Y226 E231 L232 F396 D400	F224-K228 HydrophobicContact CD1-CG 4.47Å; F224-K228 HydrophobicContact CD2-CG 4.49Å; F224-K228 HydrophobicContact CE1-CG 3.98Å; F224-K228 HydrophobicContact CE2-CG 4.03Å; F224-K228 HydrophobicContact CZ-CG 3.76Å; F224-K228 WeakPolarHBondContact O-CB 3.11Å; F224-K228 WeakPolarHBondContact O-CG 3.22Å; F224-K228 PolarHBondContact O-N 3.26Å; Y226-K228 VanDerWaalsContact C-N 3.35Å; Y226-K228 PolarHBondContact O-N 2.6Å; K228-E231 VanDerWaalsContact CD-OE2 3.28Å; K228-E231 WeakPolarHBondContact CD-OE2 3.46Å; K228-E231 IonicContact NZ-OE2 3.19Å; K228-E231 PolarHBondContact NZ-OE2 3.37Å; K228-L232 WeakPolarHBondContact O-CB 3.42Å; K228-L232 VanDerWaalsContact O-CG 3.23Å; K228-L232 WeakPolarHBondContact O-CG 3.46Å; K228-L232 PolarHBondContact O-N 2.88Å; K228-F396 HydrophobicContact CB-CD1 4.01Å; K228-F396 HydrophobicContact CB-CE1 3.74Å; K228-F396 HydrophobicContact CD-CD1 3.75Å; K228-F396 HydrophobicContact CD-CE1 4.2Å; K228-F396 HydrophobicContact CG-CD1 3.74Å; K228-F396 HydrophobicContact CG-CE1 4.03Å; K228-D400 IonicContact NZ-OD1 2.67Å; K228-D400 IonicContact NZ-OD2 3.6Å; K228-D400 PolarHBondContact NZ-OD2 2.81Å
229	A	94	Very high	90.5	Very high	14 Å²	14	64.9 Å²	64.9	12%	0.116	32%	0.322	C	S	.	.	H	α-helix	trans	-64.7	-44.2	174.9	0	0	0	0	0	112	I206 F225 Y226 Q227 L232 D233 L326	I206-A229 HydrophobicContact CG2-CB 4.08Å; F225-A229 WeakPolarHBondContact O-CB 3.29Å; F225-A229 PolarHBondContact O-N 3.33Å; Y226-A229 PolarHBondContact O-N 2.91Å; Q227-A229 PolarHBondContact O-N 2.89Å; A229-L232 PolarHBondContact O-N 2.81Å; A229-D233 PolarHBondContact O-N 3.24Å; A229-L326 HydrophobicContact CB-CD1 4.13Å
230	D	93.5	Very high	92.1	Very high	99 Å²	99	65.7 Å²	65.7	53%	0.529	32%	0.322	S	S	.	.	H	α-helix	trans	-66.1	-41.5	177.1	-172.5	63.9	0	0	0	112.1	Y226 Q227 L232 D233 G234	Y226-D230 PolarHBondContact O-N 2.95Å; Q227-D230 PolarHBondContact O-N 3.45Å; D230-L232 VanDerWaalsContact C-N 3.34Å; D230-L232 PolarHBondContact O-N 3.24Å; D230-D233 WeakPolarHBondContact O-CB 3.38Å; D230-D233 PolarHBondContact O-N 3.06Å; D230-G234 PolarHBondContact O-N 3.44Å
231	E	94.2	Very high	93.3	Very high	79 Å²	79	70.6 Å²	70.6	37%	0.369	33%	0.33	S	S	.	.	H	α-helix	trans	-55.7	-47.3	172.4	-78	179.4	-170.4	0	0	111.6	Q227 K228 D233 G234 W235	Q227-E231 WeakPolarHBondContact O-CB 3.37Å; Q227-E231 WeakPolarHBondContact O-CG 3.34Å; Q227-E231 PolarHBondContact O-N 2.97Å; K228-E231 VanDerWaalsContact CD-OE2 3.28Å; K228-E231 WeakPolarHBondContact CD-OE2 3.46Å; K228-E231 IonicContact NZ-OE2 3.19Å; K228-E231 PolarHBondContact NZ-OE2 3.37Å; E231-D233 PolarHBondContact O-N 3.29Å; E231-G234 PolarHBondContact O-N 2.92Å; E231-W235 PolarHBondContact O-N 3.06Å
232	L	95.9	Very high	94.3	Very high	5 Å²	5	73.3 Å²	73.3	3%	0.026	34%	0.34	C	S	.	.	H	α-helix	trans	-65.2	-37	178.6	-71.9	170.5	0	0	0	112.5	K228 A229 D230 G234 W235 E236 V319 C322 K323 L326 F396	K228-L232 WeakPolarHBondContact O-CB 3.42Å; K228-L232 VanDerWaalsContact O-CG 3.23Å; K228-L232 WeakPolarHBondContact O-CG 3.46Å; K228-L232 PolarHBondContact O-N 2.88Å; A229-L232 PolarHBondContact O-N 2.81Å; D230-L232 VanDerWaalsContact C-N 3.34Å; D230-L232 PolarHBondContact O-N 3.24Å; L232-G234 VanDerWaalsContact C-N 3.34Å; L232-W235 PolarHBondContact O-N 3.29Å; L232-E236 WeakPolarHBondContact O-CB 3.34Å; L232-E236 PolarHBondContact O-N 2.93Å; L232-V319 HydrophobicContact CB-CG1 4.41Å; L232-V319 HydrophobicContact CD2-CG1 4.18Å; L232-V319 HydrophobicContact CD2-CG2 4.44Å; L232-C322 HydrophobicContact CD1-CB 3.64Å; L232-C322 HydrophobicContact CD2-CB 3.8Å; L232-C322 HydrophobicContact CG-CB 4.41Å; L232-K323 HydrophobicContact CB-CG 4.38Å; L232-K323 HydrophobicContact CD1-CG 4.21Å; L232-L326 HydrophobicContact CD1-CD1 3.73Å; L232-F396 HydrophobicContact CD1-CE1 3.76Å; L232-F396 HydrophobicContact CD1-CZ 3.78Å; L232-F396 HydrophobicContact CG-CE1 4.39Å
233	D	95.3	Very high	94.8	Very high	68 Å²	68	72.4 Å²	72.4	36%	0.364	34%	0.336	S	S	.	.	H	α-helix	trans	-63.4	-40.6	172.5	-83.5	-10.8	0	0	0	111.9	A229 D230 E231 K237 K323	A229-D233 PolarHBondContact O-N 3.24Å; D230-D233 WeakPolarHBondContact O-CB 3.38Å; D230-D233 PolarHBondContact O-N 3.06Å; E231-D233 PolarHBondContact O-N 3.29Å; D233-K237 WeakPolarHBondContact O-CD 3.24Å; D233-K237 VanDerWaalsContact O-CG 3.28Å; D233-K237 WeakPolarHBondContact O-CG 3.21Å; D233-K237 PolarHBondContact O-N 3.42Å; D233-K323 WeakPolarHBondContact OD1-CE 3.43Å; D233-K323 IonicContact OD1-NZ 3.71Å; D233-K323 PolarHBondContact OD1-NZ 3.41Å
234	G	96.3	Very high	95.3	Very high	27 Å²	27	70.5 Å²	70.5	28%	0.278	33%	0.334	S	S	.	.	H	α-helix	trans	-60.7	-48.4	172.5	0	0	0	0	0	112.1	D230 E231 L232 K237 Q238	D230-G234 PolarHBondContact O-N 3.44Å; E231-G234 PolarHBondContact O-N 2.92Å; L232-G234 VanDerWaalsContact C-N 3.34Å; G234-K237 PolarHBondContact O-N 2.97Å; G234-Q238 WeakPolarHBondContact O-CG 3.49Å; G234-Q238 PolarHBondContact O-N 3.32Å; G234-Q238 VanDerWaalsContact O-N 3.11Å
235	W	95.7	Very high	95.6	Very high	53 Å²	53	70.9 Å²	70.9	20%	0.201	34%	0.344	C	S	.	.	H	α-helix	trans	-65.3	-41.7	179.9	-69.4	12	0	0	0	111.9	E231 L232 K237 Q238 L239 V319 F399	E231-W235 PolarHBondContact O-N 3.06Å; L232-W235 PolarHBondContact O-N 3.29Å; W235-K237 VanDerWaalsContact C-N 3.32Å; W235-K237 PolarHBondContact O-N 2.91Å; W235-Q238 PolarHBondContact O-N 2.94Å; W235-L239 VanDerWaalsContact O-CB 3.25Å; W235-L239 WeakPolarHBondContact O-CB 3.23Å; W235-L239 VanDerWaalsContact O-CG 3.31Å; W235-L239 WeakPolarHBondContact O-CG 3.33Å; W235-L239 PolarHBondContact O-N 2.85Å; W235-V319 HydrophobicContact CB-CG2 4.43Å; W235-F399 HydrophobicContact CE3-CE1 4.43Å; W235-F399 HydrophobicContact CH2-CE1 4.44Å; W235-F399 HydrophobicContact CZ3-CD1 4.48Å; W235-F399 AromaticContact CZ3-CE1 3.62Å; W235-F399 HydrophobicContact CZ3-CE1 3.62Å; W235-F399 HydrophobicContact CZ3-CZ 4.31Å
236	E	96.9	Very high	95.8	Very high	39 Å²	39	71.6 Å²	71.6	18%	0.182	35%	0.348	C	S	.	.	H	α-helix	trans	-59	-44.9	177	-169.2	-171.2	-178.8	0	0	111.2	L232 Q238 L239 K240 L316 V319 K323	L232-E236 WeakPolarHBondContact O-CB 3.34Å; L232-E236 PolarHBondContact O-N 2.93Å; E236-Q238 PolarHBondContact O-N 2.75Å; E236-L239 PolarHBondContact O-N 3.44Å; E236-K240 HydrophobicContact CG-CD 4.22Å; E236-K240 WeakPolarHBondContact O-CB 3.38Å; E236-K240 VanDerWaalsContact O-CG 3.29Å; E236-K240 WeakPolarHBondContact O-CG 3.38Å; E236-K240 PolarHBondContact O-N 3.28Å; E236-K240 WeakPolarHBondContact OE1-CE 3.47Å; E236-K240 IonicContact OE1-NZ 2.58Å; E236-K240 PolarHBondContact OE1-NZ 3.2Å; E236-L316 HydrophobicContact CG-CD2 4.21Å; E236-V319 HydrophobicContact CB-CG1 4.01Å; E236-K323 IonicContact OE2-NZ 2.81Å; E236-K323 PolarHBondContact OE2-NZ 2.95Å
237	K	97.9	Very high	96.1	Very high	145 Å²	145	69.1 Å²	69.1	63%	0.63	34%	0.343	S	S	*	.	H	α-helix	trans	-60.5	-46.7	177.7	-71	165.8	-171.3	164.1	0	111.5	D233 G234 W235 R241	D233-K237 WeakPolarHBondContact O-CD 3.24Å; D233-K237 VanDerWaalsContact O-CG 3.28Å; D233-K237 WeakPolarHBondContact O-CG 3.21Å; D233-K237 PolarHBondContact O-N 3.42Å; G234-K237 PolarHBondContact O-N 2.97Å; W235-K237 VanDerWaalsContact C-N 3.32Å; W235-K237 PolarHBondContact O-N 2.91Å; K237-R241 PolarHBondContact O-N 2.72Å
238	Q	97.8	Very high	96.3	Very high	140 Å²	140	70.4 Å²	70.4	65%	0.654	35%	0.353	S	S	*	.	H	α-helix	trans	-68.3	-42.7	-179.7	-70.1	177.8	-9.2	0	0	112.3	G234 W235 E236 R241 L242	G234-Q238 WeakPolarHBondContact O-CG 3.49Å; G234-Q238 PolarHBondContact O-N 3.32Å; G234-Q238 VanDerWaalsContact O-N 3.11Å; W235-Q238 PolarHBondContact O-N 2.94Å; E236-Q238 PolarHBondContact O-N 2.75Å; Q238-R241 PolarHBondContact O-N 2.68Å; Q238-L242 PolarHBondContact O-N 3.42Å
239	L	96.9	Very high	96.4	Very high	27 Å²	27	72.6 Å²	72.6	14%	0.141	37%	0.366	C	S	.	.	H	α-helix	trans	-66.2	-37.8	177.7	-76.2	170.6	0	0	0	112.2	W235 E236 R241 L242 H243 L315 L316 V319	W235-L239 VanDerWaalsContact O-CB 3.25Å; W235-L239 WeakPolarHBondContact O-CB 3.23Å; W235-L239 VanDerWaalsContact O-CG 3.31Å; W235-L239 WeakPolarHBondContact O-CG 3.33Å; W235-L239 PolarHBondContact O-N 2.85Å; E236-L239 PolarHBondContact O-N 3.44Å; L239-R241 VanDerWaalsContact C-N 3.34Å; L239-L242 HydrophobicContact CD2-CD2 4.35Å; L239-L242 PolarHBondContact O-N 2.98Å; L239-H243 WeakPolarHBondContact O-CB 3.34Å; L239-H243 PolarHBondContact O-N 2.74Å; L239-L315 HydrophobicContact CD1-CB 4.02Å; L239-L315 HydrophobicContact CD2-CB 4.05Å; L239-L315 HydrophobicContact CD2-CD1 3.93Å; L239-L316 HydrophobicContact CB-CD2 3.55Å; L239-L316 HydrophobicContact CB-CG 3.96Å; L239-L316 HydrophobicContact CD1-CD2 4.49Å; L239-V319 HydrophobicContact CD1-CG2 3.81Å
240	K	97.9	Very high	96.5	Very high	104 Å²	104	72.7 Å²	72.7	45%	0.452	37%	0.365	S	S	.	.	H	α-helix	trans	-61.5	-44.2	173	-78.4	177.2	-179.3	170.1	0	111.4	E236 H243 S244 L316	E236-K240 HydrophobicContact CG-CD 4.22Å; E236-K240 WeakPolarHBondContact O-CB 3.38Å; E236-K240 VanDerWaalsContact O-CG 3.29Å; E236-K240 WeakPolarHBondContact O-CG 3.38Å; E236-K240 PolarHBondContact O-N 3.28Å; E236-K240 WeakPolarHBondContact OE1-CE 3.47Å; E236-K240 IonicContact OE1-NZ 2.58Å; E236-K240 PolarHBondContact OE1-NZ 3.2Å; K240-H243 PolarHBondContact O-N 3.45Å; K240-S244 PolarHBondContact O-N 2.94Å; K240-S244 PolarHBondContact O-OG 3.35Å; K240-L316 HydrophobicContact CG-CD1 4.35Å; K240-L316 HydrophobicContact CG-CD2 3.79Å
241	R	98.4	Very high	96.5	Very high	195 Å²	195	71 Å²	71	74%	0.736	36%	0.36	S	S	*	.	H	α-helix	trans	-61.8	-45.7	175.4	178.5	179.3	160	-167.4	-5.9	111.4	K237 Q238 L239 S244 S245	K237-R241 PolarHBondContact O-N 2.72Å; Q238-R241 PolarHBondContact O-N 2.68Å; L239-R241 VanDerWaalsContact C-N 3.34Å; R241-S244 PolarHBondContact O-N 2.97Å; R241-S245 PolarHBondContact O-N 3.25Å; R241-S245 PolarHBondContact O-OG 2.89Å
242	L	97	Very high	96.7	Very high	82 Å²	82	68.9 Å²	68.9	43%	0.429	36%	0.36	S	S	.	.	H	α-helix	trans	-58.6	-48.8	175.3	174.9	62.7	0	0	0	111.2	Q238 L239 S244 S245 L246	Q238-L242 PolarHBondContact O-N 3.42Å; L239-L242 HydrophobicContact CD2-CD2 4.35Å; L239-L242 PolarHBondContact O-N 2.98Å; L242-S244 VanDerWaalsContact C-N 3.32Å; L242-S244 PolarHBondContact O-N 3.47Å; L242-S245 WeakPolarHBondContact O-CB 3.44Å; L242-S245 PolarHBondContact O-N 2.6Å; L242-S245 VanDerWaalsContact O-N 3.1Å; L242-L246 HydrophobicContact CD1-CD1 4.1Å; L242-L246 HydrophobicContact CD1-CG 4.07Å; L242-L246 HydrophobicContact CG-CD1 3.95Å; L242-L246 HydrophobicContact CG-CG 4.35Å; L242-L246 WeakPolarHBondContact O-CG 3.38Å; L242-L246 PolarHBondContact O-N 3.18Å
243	H	96.1	Very high	96.6	Very high	26 Å²	26	69.7 Å²	69.7	12%	0.12	36%	0.364	C	S	.	.	H	α-helix	trans	-57.3	-45.3	179	-171.1	71.3	0	0	0	111.5	L239 K240 S245 L246 L247 V309 S312 L316	L239-H243 WeakPolarHBondContact O-CB 3.34Å; L239-H243 PolarHBondContact O-N 2.74Å; K240-H243 PolarHBondContact O-N 3.45Å; H243-S245 PolarHBondContact O-N 3.38Å; H243-L246 PolarHBondContact O-N 3Å; H243-L247 WeakPolarHBondContact O-CG 3.18Å; H243-L247 PolarHBondContact O-N 3.33Å; H243-V309 PolarHBondContact CE1-O 3.44Å; H243-V309 PolarHBondContact ND1-O 2.89Å; H243-S312 PolarHBondContact ND1-OG 3.08Å; H243-L316 HydrophobicContact CB-CD1 4.12Å
244	S	97.5	Very high	96.6	Very high	65 Å²	65	69.4 Å²	69.4	46%	0.455	36%	0.363	S	S	.	.	H	α-helix	trans	-61.9	-41.7	174.5	-63.6	0	0	0	0	112.8	K240 R241 L242 L246 L247 N248	K240-S244 PolarHBondContact O-N 2.94Å; K240-S244 PolarHBondContact O-OG 3.35Å; R241-S244 PolarHBondContact O-N 2.97Å; L242-S244 VanDerWaalsContact C-N 3.32Å; L242-S244 PolarHBondContact O-N 3.47Å; S244-L246 VanDerWaalsContact C-N 3.33Å; S244-L246 PolarHBondContact O-N 2.94Å; S244-L247 PolarHBondContact O-N 2.8Å; S244-N248 PolarHBondContact O-N 3.05Å; S244-N248 VanDerWaalsContact O-N 3.1Å
245	S	98.2	Very high	96.6	Very high	64 Å²	64	73 Å²	73	45%	0.448	38%	0.376	S	S	.	.	H	α-helix	trans	-63.5	-38.3	175.3	-66.3	0	0	0	0	112.5	R241 L242 H243 N248 L249	R241-S245 PolarHBondContact O-N 3.25Å; R241-S245 PolarHBondContact O-OG 2.89Å; L242-S245 WeakPolarHBondContact O-CB 3.44Å; L242-S245 PolarHBondContact O-N 2.6Å; L242-S245 VanDerWaalsContact O-N 3.1Å; H243-S245 PolarHBondContact O-N 3.38Å; S245-N248 PolarHBondContact O-N 3.48Å; S245-L249 PolarHBondContact O-N 3.07Å
246	L	96.6	Very high	96.6	Very high	25 Å²	25	74.2 Å²	74.2	13%	0.131	39%	0.385	C	S	.	.	H	α-helix	trans	-68.5	-37.2	176.6	-68.2	172	0	0	0	112.3	L242 H243 S244 N248 L249 V250 L308 V309	L242-L246 HydrophobicContact CD1-CD1 4.1Å; L242-L246 HydrophobicContact CD1-CG 4.07Å; L242-L246 HydrophobicContact CG-CD1 3.95Å; L242-L246 HydrophobicContact CG-CG 4.35Å; L242-L246 WeakPolarHBondContact O-CG 3.38Å; L242-L246 PolarHBondContact O-N 3.18Å; H243-L246 PolarHBondContact O-N 3Å; S244-L246 VanDerWaalsContact C-N 3.33Å; S244-L246 PolarHBondContact O-N 2.94Å; L246-N248 VanDerWaalsContact C-N 3.32Å; L246-N248 PolarHBondContact O-N 2.81Å; L246-L249 HydrophobicContact CD2-CD2 4.41Å; L246-L249 WeakPolarHBondContact O-CB 3.46Å; L246-L249 PolarHBondContact O-N 3.17Å; L246-V250 WeakPolarHBondContact O-CG2 3.3Å; L246-V250 PolarHBondContact O-N 3.25Å; L246-L308 HydrophobicContact CD1-CB 4.02Å; L246-L308 HydrophobicContact CD2-CB 3.88Å; L246-L308 HydrophobicContact CD2-CD1 3.94Å; L246-L308 HydrophobicContact CG-CB 4.48Å; L246-V309 HydrophobicContact CB-CG2 3.9Å
247	L	95.3	Very high	96.6	Very high	78 Å²	78	72.6 Å²	72.6	41%	0.408	38%	0.379	S	S	.	.	H	α-helix	trans	-62.7	-40.1	172.4	-71.6	171.1	0	0	0	111.8	H243 S244 V250 S251 V309	H243-L247 WeakPolarHBondContact O-CG 3.18Å; H243-L247 PolarHBondContact O-N 3.33Å; S244-L247 PolarHBondContact O-N 2.8Å; L247-V250 PolarHBondContact O-N 3.28Å; L247-S251 PolarHBondContact O-N 3.07Å; L247-V309 HydrophobicContact CD2-CG1 3.66Å; L247-V309 HydrophobicContact CD2-CG2 4.34Å; L247-V309 HydrophobicContact CG-CG1 4.35Å
248	N	97	Very high	96.6	Very high	119 Å²	119	70.8 Å²	70.8	64%	0.636	38%	0.376	S	S	*	.	H	α-helix	trans	-67.2	-36.9	175.6	-68.3	-13.9	0	0	0	112.2	S244 S245 L246 S251 G252	S244-N248 PolarHBondContact O-N 3.05Å; S244-N248 VanDerWaalsContact O-N 3.1Å; S245-N248 PolarHBondContact O-N 3.48Å; L246-N248 VanDerWaalsContact C-N 3.32Å; L246-N248 PolarHBondContact O-N 2.81Å; N248-S251 PolarHBondContact O-N 2.73Å; N248-G252 PolarHBondContact O-N 2.97Å
249	L	95.9	Very high	96.6	Very high	71 Å²	71	67.1 Å²	67.1	37%	0.372	37%	0.37	S	S	.	.	H	α-helix	trans	-58.6	-52.6	173.2	173.4	64.2	0	0	0	110.5	S245 L246 S251 G252 D253	S245-L249 PolarHBondContact O-N 3.07Å; L246-L249 HydrophobicContact CD2-CD2 4.41Å; L246-L249 WeakPolarHBondContact O-CB 3.46Å; L246-L249 PolarHBondContact O-N 3.17Å; L249-S251 VanDerWaalsContact C-N 3.28Å; L249-S251 PolarHBondContact O-N 2.78Å; L249-G252 PolarHBondContact O-N 2.96Å; L249-G252 VanDerWaalsContact O-N 3.09Å; L249-D253 PolarHBondContact O-N 3.49Å
250	V	95.3	Very high	96.6	Very high	16 Å²	16	67.2 Å²	67.2	10%	0.097	37%	0.37	C	S	.	.	H	α-helix	trans	-57.7	-41.4	177.3	170.6	0	0	0	0	111.5	L246 L247 D253 N254 H304 T305 V309	L246-V250 WeakPolarHBondContact O-CG2 3.3Å; L246-V250 PolarHBondContact O-N 3.25Å; L247-V250 PolarHBondContact O-N 3.28Å; V250-D253 PolarHBondContact O-N 3.1Å; V250-N254 WeakPolarHBondContact CG1-ND2 3.18Å; V250-N254 PolarHBondContact O-N 3.25Å; V250-N254 PolarHBondContact O-ND2 2.99Å; V250-H304 HydrophobicContact CG2-CB 3.68Å; V250-T305 VanDerWaalsContact CG1-OG1 3.28Å; V250-T305 WeakPolarHBondContact CG1-OG1 3.43Å; V250-T305 WeakPolarHBondContact CG2-OG1 3.2Å; V250-V309 HydrophobicContact CG2-CG2 3.81Å
251	S	95.3	Very high	96.6	Very high	62 Å²	62	63.4 Å²	63.4	43%	0.434	36%	0.357	S	S	.	.	H	α-helix	trans	-60.8	-46.4	175.7	-169.6	0	0	0	0	111.7	L247 N248 L249 N254 D255	L247-S251 PolarHBondContact O-N 3.07Å; N248-S251 PolarHBondContact O-N 2.73Å; L249-S251 VanDerWaalsContact C-N 3.28Å; L249-S251 PolarHBondContact O-N 2.78Å; S251-N254 PolarHBondContact O-N 3.13Å; S251-D255 VanDerWaalsContact O-CG 3.31Å; S251-D255 PolarHBondContact O-N 3.49Å
252	G	96.5	Very high	96.6	Very high	35 Å²	35	55 Å²	55	36%	0.361	33%	0.332	S	S	.	.	H	α-helix	trans	-64.5	-39.1	179.2	0	0	0	0	0	113.2	N248 L249 N254 D255 L256	N248-G252 PolarHBondContact O-N 2.97Å; L249-G252 PolarHBondContact O-N 2.96Å; L249-G252 VanDerWaalsContact O-N 3.09Å; G252-N254 VanDerWaalsContact C-N 3.35Å; G252-D255 PolarHBondContact O-N 3.23Å; G252-L256 PolarHBondContact O-N 2.98Å
253	D	94.9	Very high	96.6	Very high	22 Å²	22	54.9 Å²	54.9	12%	0.118	33%	0.331	C	S	.	.	H	α-helix	trans	-66	-38.6	176.2	-66.7	-34.8	0	0	0	111.7	L249 V250 L256 A257 A301 H304	L249-D253 PolarHBondContact O-N 3.49Å; V250-D253 PolarHBondContact O-N 3.1Å; D253-L256 PolarHBondContact O-N 3.27Å; D253-A257 WeakPolarHBondContact O-CB 3.45Å; D253-A257 PolarHBondContact O-N 2.84Å; D253-A301 HydrophobicContact CB-CB 3.72Å; D253-H304 IonicContact OD2-CE1 3.12Å; D253-H304 PolarHBondContact OD2-CE1 3.22Å; D253-H304 IonicContact OD2-CG 2.98Å; D253-H304 IonicContact OD2-ND1 3.81Å; D253-H304 PolarHBondContact OD2-ND1 3.37Å
254	N	95	Very high	96.7	Very high	63 Å²	63	54.6 Å²	54.6	34%	0.337	33%	0.332	S	S	.	.	H	α-helix	trans	-65.3	-40.5	173.5	-81	-69.3	0	0	0	111.8	V250 S251 G252 L256 A257 N258	V250-N254 WeakPolarHBondContact CG1-ND2 3.18Å; V250-N254 PolarHBondContact O-N 3.25Å; V250-N254 PolarHBondContact O-ND2 2.99Å; S251-N254 PolarHBondContact O-N 3.13Å; G252-N254 VanDerWaalsContact C-N 3.35Å; N254-L256 VanDerWaalsContact C-N 3.32Å; N254-A257 PolarHBondContact O-N 2.89Å; N254-N258 WeakPolarHBondContact O-CB 3.28Å; N254-N258 VanDerWaalsContact O-CG 3.28Å; N254-N258 PolarHBondContact O-N 3.21Å; N254-N258 PolarHBondContact O-ND2 2.99Å
255	D	97.1	Very high	96.7	Very high	102 Å²	102	58.6 Å²	58.6	55%	0.545	34%	0.337	S	S	.	.	H	α-helix	trans	-63.4	-39.9	175.7	-68.9	-24.7	0	0	0	111.2	S251 G252 N258 A259	S251-D255 VanDerWaalsContact O-CG 3.31Å; S251-D255 PolarHBondContact O-N 3.49Å; G252-D255 PolarHBondContact O-N 3.23Å; D255-N258 PolarHBondContact O-N 3.38Å; D255-A259 WeakPolarHBondContact O-CB 3.34Å; D255-A259 PolarHBondContact O-N 3.37Å
256	L	96.2	Very high	96.7	Very high	78 Å²	78	58.8 Å²	58.8	41%	0.408	34%	0.338	S	S	.	.	H	α-helix	trans	-61.8	-52.7	174.8	177	61.9	0	0	0	111.6	G252 D253 N254 N258 A259 E260	G252-L256 PolarHBondContact O-N 2.98Å; D253-L256 PolarHBondContact O-N 3.27Å; N254-L256 VanDerWaalsContact C-N 3.32Å; L256-N258 VanDerWaalsContact C-N 3.26Å; L256-N258 PolarHBondContact O-N 2.87Å; L256-A259 WeakPolarHBondContact O-CB 3.19Å; L256-A259 PolarHBondContact O-N 2.97Å; L256-E260 HydrophobicContact CD1-CG 4.19Å; L256-E260 WeakPolarHBondContact O-CG 3.44Å; L256-E260 PolarHBondContact O-N 3.41Å
257	A	96.7	Very high	96.8	Very high	6 Å²	6	58.2 Å²	58.2	5%	0.05	34%	0.336	C	S	.	.	H	α-helix	trans	-57.3	-41.2	178.5	0	0	0	0	0	111.7	D253 N254 E260 A261 A294 H297 A298	D253-A257 WeakPolarHBondContact O-CB 3.45Å; D253-A257 PolarHBondContact O-N 2.84Å; N254-A257 PolarHBondContact O-N 2.89Å; A257-E260 PolarHBondContact O-N 3.39Å; A257-A261 WeakPolarHBondContact O-CB 3.45Å; A257-A261 PolarHBondContact O-N 3.24Å; A257-A294 WeakPolarHBondContact CB-O 3.45Å; A257-A294 WeakPolarHBondContact O-CB 3.33Å; A257-H297 HydrophobicContact CB-CB 4.05Å; A257-A298 HydrophobicContact CB-CB 4.02Å
258	N	96.8	Very high	96.9	Very high	107 Å²	107	57.9 Å²	57.9	57%	0.572	33%	0.334	S	S	*	.	H	α-helix	trans	-65.9	-38.2	176.1	-76.4	-48.4	0	0	0	112.9	N254 D255 L256 G262	N254-N258 WeakPolarHBondContact O-CB 3.28Å; N254-N258 VanDerWaalsContact O-CG 3.28Å; N254-N258 PolarHBondContact O-N 3.21Å; N254-N258 PolarHBondContact O-ND2 2.99Å; D255-N258 PolarHBondContact O-N 3.38Å; L256-N258 VanDerWaalsContact C-N 3.26Å; L256-N258 PolarHBondContact O-N 2.87Å; N258-G262 PolarHBondContact O-N 3.01Å
259	A	97.7	Very high	97	Very high	63 Å²	63	57.9 Å²	57.9	52%	0.521	33%	0.333	S	S	.	.	H	α-helix	trans	-66.7	-43.8	177	0	0	0	0	0	111.6	D255 L256 G262 L263	D255-A259 WeakPolarHBondContact O-CB 3.34Å; D255-A259 PolarHBondContact O-N 3.37Å; L256-A259 WeakPolarHBondContact O-CB 3.19Å; L256-A259 PolarHBondContact O-N 2.97Å; A259-G262 CarbonylContact O-C 3.59Å; A259-G262 WeakPolarHBondContact O-CA 3.3Å; A259-G262 PolarHBondContact O-N 2.84Å; A259-G262 VanDerWaalsContact O-N 3.16Å; A259-L263 PolarHBondContact O-N 2.89Å
260	E	97	Very high	97	Very high	28 Å²	28	59.3 Å²	59.3	13%	0.131	34%	0.341	C	S	.	.	H	α-helix	trans	-64.8	-43	176	-70	170.4	161.2	0	0	111.8	L256 A257 G262 L263 S264 A294 H297	L256-E260 HydrophobicContact CD1-CG 4.19Å; L256-E260 WeakPolarHBondContact O-CG 3.44Å; L256-E260 PolarHBondContact O-N 3.41Å; A257-E260 PolarHBondContact O-N 3.39Å; E260-G262 PolarHBondContact O-N 3.28Å; E260-L263 WeakPolarHBondContact O-CB 3.31Å; E260-L263 PolarHBondContact O-N 3.45Å; E260-L263 VanDerWaalsContact O-N 3.07Å; E260-S264 PolarHBondContact O-N 3.44Å; E260-A294 HydrophobicContact CB-CB 3.73Å; E260-H297 IonicContact OE1-CE1 3.26Å; E260-H297 PolarHBondContact OE1-CE1 3.25Å; E260-H297 IonicContact OE1-ND1 3.79Å; E260-H297 PolarHBondContact OE1-ND1 3.45Å; E260-H297 IonicContact OE2-CE1 3.67Å; E260-H297 IonicContact OE2-CG 3.57Å; E260-H297 IonicContact OE2-ND1 3.83Å; E260-H297 PolarHBondContact OE2-ND1 2.78Å
261	A	97.8	Very high	97	Very high	24 Å²	24	58.7 Å²	58.7	20%	0.198	34%	0.337	C	S	.	.	H	α-helix	trans	-61	-35.5	172.7	0	0	0	0	0	111.7	A257 R265 A294	A257-A261 WeakPolarHBondContact O-CB 3.45Å; A257-A261 PolarHBondContact O-N 3.24Å; A261-R265 WeakPolarHBondContact O-CG 3.35Å; A261-R265 PolarHBondContact O-N 2.87Å; A261-R265 PolarHBondContact O-NH1 3.42Å; A261-R265 VanDerWaalsContact O-NH1 3.09Å; A261-A294 HydrophobicContact CB-CB 3.93Å
262	G	98.1	Very high	97.1	Very high	19 Å²	19	60.6 Å²	60.6	20%	0.196	34%	0.343	C	S	.	.	H	α-helix	trans	-65.8	-41	171.9	0	0	0	0	0	113.4	N258 A259 E260 S266	N258-G262 PolarHBondContact O-N 3.01Å; A259-G262 CarbonylContact O-C 3.59Å; A259-G262 WeakPolarHBondContact O-CA 3.3Å; A259-G262 PolarHBondContact O-N 2.84Å; A259-G262 VanDerWaalsContact O-N 3.16Å; E260-G262 PolarHBondContact O-N 3.28Å; G262-S266 WeakPolarHBondContact O-CB 3.3Å; G262-S266 PolarHBondContact O-N 3.04Å; G262-S266 VanDerWaalsContact O-N 3.07Å; G262-S266 PolarHBondContact O-OG 3.39Å
263	L	97.7	Very high	97.1	Very high	80 Å²	80	64.2 Å²	64.2	42%	0.419	36%	0.358	S	S	.	.	H	α-helix	trans	-63.2	-49.6	175.1	177.5	61.9	0	0	0	110.8	A259 E260 R265 S266 V267 E290	A259-L263 PolarHBondContact O-N 2.89Å; E260-L263 WeakPolarHBondContact O-CB 3.31Å; E260-L263 PolarHBondContact O-N 3.45Å; E260-L263 VanDerWaalsContact O-N 3.07Å; L263-R265 VanDerWaalsContact C-N 3.32Å; L263-R265 PolarHBondContact O-N 3.47Å; L263-S266 WeakPolarHBondContact O-CA 3.33Å; L263-S266 WeakPolarHBondContact O-CB 3.47Å; L263-S266 PolarHBondContact O-N 3.42Å; L263-V267 HydrophobicContact CD1-CG2 3.78Å; L263-V267 HydrophobicContact CG-CG2 4.13Å; L263-V267 WeakPolarHBondContact O-CG2 3.41Å; L263-V267 PolarHBondContact O-N 3.47Å; L263-E290 HydrophobicContact CD2-CG 4.31Å
264	S	98.4	Very high	97.2	Very high	19 Å²	19	66.6 Å²	66.6	13%	0.133	37%	0.368	C	S	.	.	H	α-helix	trans	-48.9	-51.9	175.3	169	0	0	0	0	111.8	E260 S266 V267 L268 A287	E260-S264 PolarHBondContact O-N 3.44Å; S264-S266 VanDerWaalsContact C-N 3.33Å; S264-S266 PolarHBondContact O-N 3.04Å; S264-V267 PolarHBondContact O-N 3.35Å; S264-L268 WeakPolarHBondContact O-CB 3.41Å; S264-L268 PolarHBondContact O-N 3.02Å; S264-A287 WeakPolarHBondContact CB-O 3.47Å; S264-A287 WeakPolarHBondContact O-CB 3.41Å; S264-A287 PolarHBondContact OG-O 3.15Å
265	R	98.4	Very high	97.2	Very high	150 Å²	150	72.3 Å²	72.3	57%	0.566	39%	0.393	S	S	*	.	H	α-helix	trans	-61.5	-40	177.1	-69.8	-173.3	-61.8	-86.9	3.3	112.7	A261 L263 L268 L269	A261-R265 WeakPolarHBondContact O-CG 3.35Å; A261-R265 PolarHBondContact O-N 2.87Å; A261-R265 PolarHBondContact O-NH1 3.42Å; A261-R265 VanDerWaalsContact O-NH1 3.09Å; L263-R265 VanDerWaalsContact C-N 3.32Å; L263-R265 PolarHBondContact O-N 3.47Å; R265-L268 PolarHBondContact O-N 3.45Å; R265-L269 WeakPolarHBondContact O-CG 3.33Å; R265-L269 PolarHBondContact O-N 3.19Å; R265-L269 VanDerWaalsContact O-N 3.11Å
266	S	98.2	Very high	97.1	Very high	67 Å²	67	71.3 Å²	71.3	47%	0.469	39%	0.387	S	S	.	.	H	α-helix	trans	-69	-42.9	-179.1	-56.4	0	0	0	0	111.7	G262 L263 S264 L268 L269 L270	G262-S266 WeakPolarHBondContact O-CB 3.3Å; G262-S266 PolarHBondContact O-N 3.04Å; G262-S266 VanDerWaalsContact O-N 3.07Å; G262-S266 PolarHBondContact O-OG 3.39Å; L263-S266 WeakPolarHBondContact O-CA 3.33Å; L263-S266 WeakPolarHBondContact O-CB 3.47Å; L263-S266 PolarHBondContact O-N 3.42Å; S264-S266 VanDerWaalsContact C-N 3.33Å; S264-S266 PolarHBondContact O-N 3.04Å; S266-L268 VanDerWaalsContact C-N 3.33Å; S266-L269 PolarHBondContact O-N 2.97Å; S266-L270 PolarHBondContact O-N 3.37Å; S266-L270 VanDerWaalsContact O-N 3.09Å
267	V	97.9	Very high	96.9	Very high	13 Å²	13	72.7 Å²	72.7	8%	0.079	40%	0.399	C	S	.	.	H	α-helix	trans	-63.9	-40	175.1	175.7	0	0	0	0	110.5	L263 S264 L269 L270 A271 L283 L286 A287	L263-V267 HydrophobicContact CD1-CG2 3.78Å; L263-V267 HydrophobicContact CG-CG2 4.13Å; L263-V267 WeakPolarHBondContact O-CG2 3.41Å; L263-V267 PolarHBondContact O-N 3.47Å; S264-V267 PolarHBondContact O-N 3.35Å; V267-L269 VanDerWaalsContact C-N 3.31Å; V267-L269 PolarHBondContact O-N 3.35Å; V267-L270 WeakPolarHBondContact O-CB 3.42Å; V267-L270 PolarHBondContact O-N 3.4Å; V267-L270 VanDerWaalsContact O-N 3.16Å; V267-A271 PolarHBondContact O-N 3.06Å; V267-L283 HydrophobicContact CG1-CB 4.18Å; V267-L283 HydrophobicContact CG1-CD2 4.06Å; V267-L283 VanDerWaalsContact CG1-O 3.28Å; V267-L283 WeakPolarHBondContact CG1-O 3.45Å; V267-L286 HydrophobicContact CG1-CB 4.23Å; V267-L286 HydrophobicContact CG1-CD2 4.14Å; V267-L286 HydrophobicContact CG1-CG 4.24Å; V267-A287 HydrophobicContact CB-CB 4.11Å; V267-A287 HydrophobicContact CG1-CB 3.98Å
268	L	97.9	Very high	96.7	Very high	72 Å²	72	73 Å²	73	38%	0.377	40%	0.403	S	S	.	.	H	α-helix	trans	-60.8	-40.2	175.4	-177.2	60.5	0	0	0	112.1	S264 R265 S266 L270 A271 N272 H284 A287	S264-L268 WeakPolarHBondContact O-CB 3.41Å; S264-L268 PolarHBondContact O-N 3.02Å; R265-L268 PolarHBondContact O-N 3.45Å; S266-L268 VanDerWaalsContact C-N 3.33Å; L268-L270 VanDerWaalsContact C-N 3.35Å; L268-A271 PolarHBondContact O-N 2.67Å; L268-N272 VanDerWaalsContact O-CG 3.27Å; L268-N272 PolarHBondContact O-N 2.78Å; L268-N272 VanDerWaalsContact O-N 3.16Å; L268-N272 PolarHBondContact O-ND2 2.92Å; L268-H284 WeakPolarHBondContact CD1-ND1 3.41Å; L268-A287 HydrophobicContact CB-CB 3.87Å
269	L	97.9	Very high	96.5	Very high	118 Å²	118	71.5 Å²	71.5	62%	0.618	39%	0.394	S	S	*	.	H	α-helix	trans	-65.7	-37.5	175.4	-69.6	172.8	0	0	0	112.2	R265 S266 V267 N272	R265-L269 WeakPolarHBondContact O-CG 3.33Å; R265-L269 PolarHBondContact O-N 3.19Å; R265-L269 VanDerWaalsContact O-N 3.11Å; S266-L269 PolarHBondContact O-N 2.97Å; V267-L269 VanDerWaalsContact C-N 3.31Å; V267-L269 PolarHBondContact O-N 3.35Å; L269-N272 PolarHBondContact O-N 2.94Å
270	L	96.2	Very high	96.4	Very high	102 Å²	102	69.1 Å²	69.1	53%	0.534	38%	0.375	S	S	.	.	H	α-helix	trans	-65.6	-42.8	173.4	-69.2	173.7	0	0	0	111.7	S266 V267 L268 N272 V273 E274	S266-L270 PolarHBondContact O-N 3.37Å; S266-L270 VanDerWaalsContact O-N 3.09Å; V267-L270 WeakPolarHBondContact O-CB 3.42Å; V267-L270 PolarHBondContact O-N 3.4Å; V267-L270 VanDerWaalsContact O-N 3.16Å; L268-L270 VanDerWaalsContact C-N 3.35Å; L270-N272 PolarHBondContact O-N 3.32Å; L270-V273 VanDerWaalsContact O-CG2 3.25Å; L270-V273 WeakPolarHBondContact O-CG2 3.47Å; L270-V273 PolarHBondContact O-N 2.99Å; L270-V273 VanDerWaalsContact O-N 3.16Å; L270-E274 PolarHBondContact O-N 3.09Å
271	A	96.3	Very high	96.3	Very high	2 Å²	2	73.5 Å²	73.5	2%	0.017	40%	0.395	C	S	.	.	H	α-helix	trans	-57.4	-39.4	177.1	0	0	0	0	0	112.1	V267 L268 V273 E274 L283	V267-A271 PolarHBondContact O-N 3.06Å; L268-A271 PolarHBondContact O-N 2.67Å; A271-V273 VanDerWaalsContact C-N 3.27Å; A271-V273 PolarHBondContact O-N 3.36Å; A271-E274 PolarHBondContact O-N 3.26Å; A271-L283 HydrophobicContact CB-CB 3.59Å
272	N	96.7	Very high	96.1	Very high	102 Å²	102	72.9 Å²	72.9	55%	0.545	39%	0.39	S	S	.	.	H	α-helix	trans	-68.3	-21.5	-179.5	-70.9	-29.7	0	0	0	114.5	L268 L269 L270 H284	L268-N272 VanDerWaalsContact O-CG 3.27Å; L268-N272 PolarHBondContact O-N 2.78Å; L268-N272 VanDerWaalsContact O-N 3.16Å; L268-N272 PolarHBondContact O-ND2 2.92Å; L269-N272 PolarHBondContact O-N 2.94Å; L270-N272 PolarHBondContact O-N 3.32Å; N272-H284 PolarHBondContact OD1-CE1 3.35Å; N272-H284 VanDerWaalsContact OD1-CE1 3.29Å
273	V	97	Very high	96	Very high	112 Å²	112	73.6 Å²	73.6	68%	0.679	39%	0.389	S	S	*	.	H	α-helix	trans	-105.2	-4.6	-179.9	-59	0	0	0	0	112.9	L270 A271	L270-V273 VanDerWaalsContact O-CG2 3.25Å; L270-V273 WeakPolarHBondContact O-CG2 3.47Å; L270-V273 PolarHBondContact O-N 2.99Å; L270-V273 VanDerWaalsContact O-N 3.16Å; A271-V273 VanDerWaalsContact C-N 3.27Å; A271-V273 PolarHBondContact O-N 3.36Å
274	E	96.6	Very high	96	Very high	72 Å²	72	72.9 Å²	72.9	34%	0.336	38%	0.384	S	S	.	.			trans	-76.5	127.7	179.9	178.4	53.3	-115.1	0	0	111	L270 A271 N276 L279 A280 L283	L270-E274 PolarHBondContact O-N 3.09Å; A271-E274 PolarHBondContact O-N 3.26Å; E274-N276 HydrophobicContact CG-CB 4.45Å; E274-N276 WeakPolarHBondContact OE1-CB 3.1Å; E274-N276 PolarHBondContact OE1-N 3.06Å; E274-L279 HydrophobicContact CG-CB 3.99Å; E274-L279 HydrophobicContact CG-CD2 4.08Å; E274-L279 HydrophobicContact CG-CG 3.95Å; E274-L279 WeakPolarHBondContact OE2-CD2 3.41Å; E274-A280 HydrophobicContact CB-CB 3.98Å; E274-A280 HydrophobicContact CG-CB 4.03Å; E274-L283 HydrophobicContact CB-CD1 4.4Å
275	E	95.5	Very high	95.9	Very high	183 Å²	183	75 Å²	75	86%	0.855	39%	0.391	S	S	*	.			trans	-83.5	-31	-177.3	-64	-176.5	174.9	0	0	112	T277	E275-T277 PolarHBondContact O-N 3.24Å
276	N	94.2	Very high	95.8	Very high	80 Å²	80	69.6 Å²	69.6	43%	0.428	37%	0.373	S	S	.	.			trans	-72.5	111.8	175.1	-178	-53.2	0	0	0	109.7	E274 G278 L279 A280	E274-N276 HydrophobicContact CG-CB 4.45Å; E274-N276 WeakPolarHBondContact OE1-CB 3.1Å; E274-N276 PolarHBondContact OE1-N 3.06Å; N276-G278 VanDerWaalsContact C-N 3.27Å; N276-G278 PolarHBondContact O-N 2.92Å; N276-G278 WeakPolarHBondContact OD1-CA 3.28Å; N276-G278 PolarHBondContact OD1-N 3.35Å; N276-L279 HydrophobicContact CB-CB 4.07Å; N276-L279 PolarHBondContact O-N 3.25Å; N276-L279 PolarHBondContact OD1-N 3.35Å; N276-A280 WeakPolarHBondContact O-CB 3.08Å; N276-A280 PolarHBondContact O-N 3.23Å
277	T	91.6	Very high	95.8	Very high	108 Å²	108	66.5 Å²	66.5	66%	0.663	35%	0.352	S	S	*	.	H	α-helix	trans	-58	-36.2	-176.6	56.9	0	0	0	0	113.7	E275 Q281	E275-T277 PolarHBondContact O-N 3.24Å; T277-Q281 WeakPolarHBondContact O-CB 3.39Å; T277-Q281 VanDerWaalsContact O-CG 3.22Å; T277-Q281 WeakPolarHBondContact O-CG 3.44Å; T277-Q281 PolarHBondContact O-N 3.42Å
278	G	92.6	Very high	95.7	Very high	12 Å²	12	71.3 Å²	71.3	12%	0.124	37%	0.374	C	S	.	.	H	α-helix	trans	-70.6	-47.1	179.7	0	0	0	0	0	111.6	N276 Q281 A282 V439	N276-G278 VanDerWaalsContact C-N 3.27Å; N276-G278 PolarHBondContact O-N 2.92Å; N276-G278 WeakPolarHBondContact OD1-CA 3.28Å; N276-G278 PolarHBondContact OD1-N 3.35Å; G278-Q281 PolarHBondContact O-N 3.01Å; G278-A282 PolarHBondContact O-N 3.49Å; G278-V439 VanDerWaalsContact O-CG1 3.29Å; G278-V439 WeakPolarHBondContact O-CG1 3.21Å
279	L	93	Very high	95.7	Very high	76 Å²	76	68.3 Å²	68.3	40%	0.398	36%	0.359	S	S	.	.	H	α-helix	trans	-64.4	-42.7	175.7	-177.9	57	0	0	0	111.6	E274 N276 Q281 A282 L283	E274-L279 HydrophobicContact CG-CB 3.99Å; E274-L279 HydrophobicContact CG-CD2 4.08Å; E274-L279 HydrophobicContact CG-CG 3.95Å; E274-L279 WeakPolarHBondContact OE2-CD2 3.41Å; N276-L279 HydrophobicContact CB-CB 4.07Å; N276-L279 PolarHBondContact O-N 3.25Å; N276-L279 PolarHBondContact OD1-N 3.35Å; L279-Q281 VanDerWaalsContact C-N 3.33Å; L279-Q281 PolarHBondContact O-N 2.9Å; L279-A282 PolarHBondContact O-N 3.42Å; L279-L283 HydrophobicContact CD1-CD1 4.37Å; L279-L283 HydrophobicContact CD1-CG 4.19Å; L279-L283 HydrophobicContact CG-CD1 4.1Å; L279-L283 HydrophobicContact CG-CG 4.39Å; L279-L283 VanDerWaalsContact O-CG 3.31Å; L279-L283 WeakPolarHBondContact O-CG 3.34Å; L279-L283 PolarHBondContact O-N 3.45Å
280	A	94.9	Very high	95.7	Very high	13 Å²	13	63.9 Å²	63.9	11%	0.107	34%	0.335	C	S	.	.	H	α-helix	trans	-57.1	-45.5	175.4	0	0	0	0	0	111.5	E274 N276 L283 H284	E274-A280 HydrophobicContact CB-CB 3.98Å; E274-A280 HydrophobicContact CG-CB 4.03Å; N276-A280 WeakPolarHBondContact O-CB 3.08Å; N276-A280 PolarHBondContact O-N 3.23Å; A280-L283 PolarHBondContact O-N 3.33Å; A280-H284 PolarHBondContact O-CD2 3.47Å; A280-H284 PolarHBondContact O-N 3.35Å
281	Q	94.3	Very high	95.7	Very high	119 Å²	119	59.8 Å²	59.8	56%	0.556	32%	0.317	S	S	*	.	H	α-helix	trans	-62.9	-43.5	175.1	-75.9	173.1	-9.9	0	0	112.5	T277 G278 L279 L283 H284 H285	T277-Q281 WeakPolarHBondContact O-CB 3.39Å; T277-Q281 VanDerWaalsContact O-CG 3.22Å; T277-Q281 WeakPolarHBondContact O-CG 3.44Å; T277-Q281 PolarHBondContact O-N 3.42Å; G278-Q281 PolarHBondContact O-N 3.01Å; L279-Q281 VanDerWaalsContact C-N 3.33Å; L279-Q281 PolarHBondContact O-N 2.9Å; Q281-L283 VanDerWaalsContact C-N 3.33Å; Q281-L283 PolarHBondContact O-N 3.01Å; Q281-H284 PolarHBondContact O-N 3.16Å; Q281-H285 PolarHBondContact O-CD2 2.88Å; Q281-H285 PolarHBondContact O-N 3.2Å
282	A	94.9	Very high	95.8	Very high	12 Å²	12	63.8 Å²	63.8	10%	0.099	34%	0.335	C	S	.	.	H	α-helix	trans	-61.8	-40.4	176.2	0	0	0	0	0	112.1	G278 L279 L286 Y432 T436 V439	G278-A282 PolarHBondContact O-N 3.49Å; L279-A282 PolarHBondContact O-N 3.42Å; A282-L286 WeakPolarHBondContact O-CB 3.44Å; A282-L286 PolarHBondContact O-N 3.4Å; A282-Y432 WeakPolarHBondContact O-CE2 3.22Å; A282-T436 HydrophobicContact CB-CG2 3.99Å; A282-V439 HydrophobicContact CB-CG1 4.36Å; A282-V439 HydrophobicContact CB-CG2 4.31Å
283	L	96.6	Very high	95.8	Very high	34 Å²	34	59 Å²	59	18%	0.178	31%	0.31	C	S	.	.	H	α-helix	trans	-68.6	-39.4	176.1	-68.3	171.9	0	0	0	111.8	V267 A271 E274 L279 A280 Q281 L286 A287	V267-L283 HydrophobicContact CG1-CB 4.18Å; V267-L283 HydrophobicContact CG1-CD2 4.06Å; V267-L283 VanDerWaalsContact CG1-O 3.28Å; V267-L283 WeakPolarHBondContact CG1-O 3.45Å; A271-L283 HydrophobicContact CB-CB 3.59Å; E274-L283 HydrophobicContact CB-CD1 4.4Å; L279-L283 HydrophobicContact CD1-CD1 4.37Å; L279-L283 HydrophobicContact CD1-CG 4.19Å; L279-L283 HydrophobicContact CG-CD1 4.1Å; L279-L283 HydrophobicContact CG-CG 4.39Å; L279-L283 VanDerWaalsContact O-CG 3.31Å; L279-L283 WeakPolarHBondContact O-CG 3.34Å; L279-L283 PolarHBondContact O-N 3.45Å; A280-L283 PolarHBondContact O-N 3.33Å; Q281-L283 VanDerWaalsContact C-N 3.33Å; Q281-L283 PolarHBondContact O-N 3.01Å; L283-L286 PolarHBondContact O-N 2.89Å; L283-A287 WeakPolarHBondContact O-CB 3.27Å; L283-A287 PolarHBondContact O-N 3.04Å
284	H	96.4	Very high	95.8	Very high	65 Å²	65	53.8 Å²	53.8	30%	0.301	28%	0.278	S	S	.	.	H	α-helix	trans	-58.4	-49.3	173.1	-85.7	-64.3	0	0	0	111.7	L268 N272 A280 Q281 L286 A287 E288	L268-H284 WeakPolarHBondContact CD1-ND1 3.41Å; N272-H284 PolarHBondContact OD1-CE1 3.35Å; N272-H284 VanDerWaalsContact OD1-CE1 3.29Å; A280-H284 PolarHBondContact O-CD2 3.47Å; A280-H284 PolarHBondContact O-N 3.35Å; Q281-H284 PolarHBondContact O-N 3.16Å; H284-L286 VanDerWaalsContact C-N 3.31Å; H284-L286 PolarHBondContact O-N 2.95Å; H284-A287 WeakPolarHBondContact O-CB 3.27Å; H284-A287 PolarHBondContact O-N 3.19Å; H284-E288 WeakPolarHBondContact O-CG 3.26Å; H284-E288 PolarHBondContact O-N 2.8Å
285	H	96.1	Very high	95.8	Very high	63 Å²	63	55.7 Å²	55.7	29%	0.292	29%	0.291	S	S	.	.	H	α-helix	trans	-65.3	-34.1	177.4	-71.3	-44.3	0	0	0	112.9	Q281 E288 T289 Y432	Q281-H285 PolarHBondContact O-CD2 2.88Å; Q281-H285 PolarHBondContact O-N 3.2Å; H285-E288 IonicContact ND1-OE2 3.26Å; H285-E288 PolarHBondContact ND1-OE2 3.1Å; H285-T289 WeakPolarHBondContact O-CB 3.36Å; H285-T289 PolarHBondContact O-N 3.5Å; H285-T289 PolarHBondContact O-OG1 3.02Å; H285-Y432 HydrophobicContact CB-CD2 3.94Å; H285-Y432 HydrophobicContact CB-CE2 4.12Å
286	L	96.7	Very high	95.8	Very high	36 Å²	36	47.8 Å²	47.8	19%	0.188	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-45.6	173.5	-179.1	60.6	0	0	0	110.5	V267 A282 L283 H284 E288 T289 E290 W429 Y432	V267-L286 HydrophobicContact CG1-CB 4.23Å; V267-L286 HydrophobicContact CG1-CD2 4.14Å; V267-L286 HydrophobicContact CG1-CG 4.24Å; A282-L286 WeakPolarHBondContact O-CB 3.44Å; A282-L286 PolarHBondContact O-N 3.4Å; L283-L286 PolarHBondContact O-N 2.89Å; H284-L286 VanDerWaalsContact C-N 3.31Å; H284-L286 PolarHBondContact O-N 2.95Å; L286-E288 PolarHBondContact O-N 3.15Å; L286-T289 PolarHBondContact O-N 3.33Å; L286-E290 HydrophobicContact CD1-CG 4.09Å; L286-E290 HydrophobicContact CG-CG 4.32Å; L286-E290 WeakPolarHBondContact O-CB 3.48Å; L286-E290 VanDerWaalsContact O-CG 3.3Å; L286-E290 WeakPolarHBondContact O-CG 3.12Å; L286-E290 PolarHBondContact O-N 3.16Å; L286-W429 HydrophobicContact CD1-CH2 4.17Å; L286-W429 HydrophobicContact CD1-CZ3 3.98Å; L286-Y432 HydrophobicContact CB-CD2 4.43Å; L286-Y432 HydrophobicContact CB-CE2 3.64Å; L286-Y432 HydrophobicContact CD1-CE1 4.24Å; L286-Y432 HydrophobicContact CD1-CE2 4.24Å
287	A	97.7	Very high	95.8	Very high	3 Å²	3	45.2 Å²	45.2	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-60.5	-43.1	177.7	0	0	0	0	0	112.5	S264 V267 L268 L283 H284 G291	S264-A287 WeakPolarHBondContact CB-O 3.47Å; S264-A287 WeakPolarHBondContact O-CB 3.41Å; S264-A287 PolarHBondContact OG-O 3.15Å; V267-A287 HydrophobicContact CB-CB 4.11Å; V267-A287 HydrophobicContact CG1-CB 3.98Å; L268-A287 HydrophobicContact CB-CB 3.87Å; L283-A287 WeakPolarHBondContact O-CB 3.27Å; L283-A287 PolarHBondContact O-N 3.04Å; H284-A287 WeakPolarHBondContact O-CB 3.27Å; H284-A287 PolarHBondContact O-N 3.19Å; A287-G291 PolarHBondContact O-N 3.39Å
288	E	96.9	Very high	95.9	Very high	113 Å²	113	42 Å²	42	53%	0.528	22%	0.224	S	C	.	.	H	α-helix	trans	-61.5	-44.7	174.5	-70.7	-178.6	139.3	0	0	111.6	H284 H285 L286 G291 H292	H284-E288 WeakPolarHBondContact O-CG 3.26Å; H284-E288 PolarHBondContact O-N 2.8Å; H285-E288 IonicContact ND1-OE2 3.26Å; H285-E288 PolarHBondContact ND1-OE2 3.1Å; L286-E288 PolarHBondContact O-N 3.15Å; E288-G291 PolarHBondContact O-N 3.3Å; E288-H292 PolarHBondContact O-N 2.97Å
289	T	97.2	Very high	95.9	Very high	10 Å²	10	42.9 Å²	42.9	6%	0.061	23%	0.226	C	C	.	.	H	α-helix	trans	-63	-49.8	-179.6	-57.7	0	0	0	0	111.2	H285 L286 G291 H292 V293 N428 W429 Y432	H285-T289 WeakPolarHBondContact O-CB 3.36Å; H285-T289 PolarHBondContact O-N 3.5Å; H285-T289 PolarHBondContact O-OG1 3.02Å; L286-T289 PolarHBondContact O-N 3.33Å; T289-G291 VanDerWaalsContact C-N 3.25Å; T289-G291 PolarHBondContact O-N 3.49Å; T289-H292 PolarHBondContact O-N 3.37Å; T289-V293 HydrophobicContact CG2-CG2 4.46Å; T289-V293 VanDerWaalsContact O-CG2 3.29Å; T289-V293 WeakPolarHBondContact O-CG2 3.46Å; T289-V293 PolarHBondContact O-N 3.03Å; T289-N428 HydrophobicContact CG2-CB 4.26Å; T289-W429 HydrophobicContact CG2-CD2 4.04Å; T289-W429 HydrophobicContact CG2-CE3 3.86Å; T289-W429 HydrophobicContact CG2-CH2 4.45Å; T289-W429 HydrophobicContact CG2-CZ3 4.07Å; T289-Y432 WeakPolarHBondContact OG1-CB 3.46Å
290	E	97.6	Very high	95.9	Very high	25 Å²	25	40.3 Å²	40.3	12%	0.117	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-36.9	175.5	-71	-71.6	179.8	0	0	111.8	L263 L286 V293 A294 W429	L263-E290 HydrophobicContact CD2-CG 4.31Å; L286-E290 HydrophobicContact CD1-CG 4.09Å; L286-E290 HydrophobicContact CG-CG 4.32Å; L286-E290 WeakPolarHBondContact O-CB 3.48Å; L286-E290 VanDerWaalsContact O-CG 3.3Å; L286-E290 WeakPolarHBondContact O-CG 3.12Å; L286-E290 PolarHBondContact O-N 3.16Å; E290-V293 PolarHBondContact O-N 3.07Å; E290-A294 WeakPolarHBondContact O-CB 3.43Å; E290-A294 PolarHBondContact O-N 3.33Å; E290-W429 WeakPolarHBondContact OE1-CH2 3.39Å
291	G	97.8	Very high	95.8	Very high	16 Å²	16	39.8 Å²	39.8	17%	0.165	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-47.9	175.3	0	0	0	0	0	112.2	A287 E288 T289 A294 D295	A287-G291 PolarHBondContact O-N 3.39Å; E288-G291 PolarHBondContact O-N 3.3Å; T289-G291 VanDerWaalsContact C-N 3.25Å; T289-G291 PolarHBondContact O-N 3.49Å; G291-A294 WeakPolarHBondContact O-CB 3.24Å; G291-A294 PolarHBondContact O-N 2.78Å; G291-D295 PolarHBondContact O-N 2.94Å; G291-D295 VanDerWaalsContact O-N 3.14Å
292	H	97.3	Very high	95.7	Very high	85 Å²	85	34.9 Å²	34.9	39%	0.394	19%	0.185	S	C	.	.	H	α-helix	trans	-66.8	-37.2	176.6	-64	166.1	0	0	0	112.9	E288 T289 A294 D295 L296 N428	E288-H292 PolarHBondContact O-N 2.97Å; T289-H292 PolarHBondContact O-N 3.37Å; H292-A294 VanDerWaalsContact C-N 3.34Å; H292-D295 PolarHBondContact O-N 3.43Å; H292-L296 WeakPolarHBondContact O-CG 3.33Å; H292-L296 PolarHBondContact O-N 3.36Å; H292-N428 VanDerWaalsContact CB-OD1 3.29Å; H292-N428 WeakPolarHBondContact CB-OD1 3.41Å; H292-N428 PolarHBondContact ND1-OD1 3.41Å
293	V	96.7	Very high	95.5	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.012	18%	0.181	C	C	.	.	H	α-helix	trans	-64	-41.5	175.9	171.5	0	0	0	0	110.5	T289 E290 D295 L296 H297 V425 N428 W429	T289-V293 HydrophobicContact CG2-CG2 4.46Å; T289-V293 VanDerWaalsContact O-CG2 3.29Å; T289-V293 WeakPolarHBondContact O-CG2 3.46Å; T289-V293 PolarHBondContact O-N 3.03Å; E290-V293 PolarHBondContact O-N 3.07Å; V293-D295 PolarHBondContact O-N 3.19Å; V293-L296 WeakPolarHBondContact O-CB 3.33Å; V293-L296 PolarHBondContact O-N 3.03Å; V293-L296 VanDerWaalsContact O-N 3.16Å; V293-H297 PolarHBondContact O-N 2.97Å; V293-V425 HydrophobicContact CG1-CG1 4.4Å; V293-V425 HydrophobicContact CG2-CG1 4.33Å; V293-N428 HydrophobicContact CG2-CB 4.35Å; V293-W429 HydrophobicContact CG2-CZ2 4.44Å
294	A	97.6	Very high	95.3	Very high	2 Å²	2	33.1 Å²	33.1	2%	0.017	17%	0.174	C	C	.	.	H	α-helix	trans	-58.5	-45.6	174.1	0	0	0	0	0	112.3	A257 E260 A261 E290 G291 H292 L296 H297 A298	A257-A294 WeakPolarHBondContact CB-O 3.45Å; A257-A294 WeakPolarHBondContact O-CB 3.33Å; E260-A294 HydrophobicContact CB-CB 3.73Å; A261-A294 HydrophobicContact CB-CB 3.93Å; E290-A294 WeakPolarHBondContact O-CB 3.43Å; E290-A294 PolarHBondContact O-N 3.33Å; G291-A294 WeakPolarHBondContact O-CB 3.24Å; G291-A294 PolarHBondContact O-N 2.78Å; H292-A294 VanDerWaalsContact C-N 3.34Å; A294-L296 VanDerWaalsContact C-N 3.3Å; A294-L296 PolarHBondContact O-N 2.6Å; A294-H297 PolarHBondContact O-N 3.37Å; A294-A298 PolarHBondContact O-N 3.35Å
295	D	95.5	Very high	95.1	Very high	112 Å²	112	30.7 Å²	30.7	60%	0.599	16%	0.164	S	C	*	.	H	α-helix	trans	-61.8	-38.5	176.2	-70.4	-23.7	0	0	0	111.7	G291 H292 V293 A298 L299	G291-D295 PolarHBondContact O-N 2.94Å; G291-D295 VanDerWaalsContact O-N 3.14Å; H292-D295 PolarHBondContact O-N 3.43Å; V293-D295 PolarHBondContact O-N 3.19Å; D295-A298 PolarHBondContact O-N 3.41Å; D295-L299 WeakPolarHBondContact O-CB 3.24Å; D295-L299 PolarHBondContact O-N 2.79Å
296	L	95.4	Very high	94.8	Very high	17 Å²	17	27.8 Å²	27.8	9%	0.089	15%	0.15	C	C	.	.	H	α-helix	trans	-69.4	-35.8	176.2	-70.7	170	0	0	0	112.7	H292 V293 A294 L299 Q300 I421 K424 V425	H292-L296 WeakPolarHBondContact O-CG 3.33Å; H292-L296 PolarHBondContact O-N 3.36Å; V293-L296 WeakPolarHBondContact O-CB 3.33Å; V293-L296 PolarHBondContact O-N 3.03Å; V293-L296 VanDerWaalsContact O-N 3.16Å; A294-L296 VanDerWaalsContact C-N 3.3Å; A294-L296 PolarHBondContact O-N 2.6Å; L296-L299 HydrophobicContact CD2-CD2 4.31Å; L296-L299 WeakPolarHBondContact O-CB 3.44Å; L296-L299 PolarHBondContact O-N 2.99Å; L296-Q300 PolarHBondContact O-N 2.93Å; L296-I421 HydrophobicContact CB-CG2 4.29Å; L296-I421 HydrophobicContact CD2-CG2 4.5Å; L296-I421 WeakPolarHBondContact O-CG2 3.26Å; L296-K424 HydrophobicContact CD1-CB 3.75Å; L296-K424 HydrophobicContact CD2-CB 3.81Å; L296-K424 HydrophobicContact CD2-CD 3.88Å; L296-K424 HydrophobicContact CG-CB 4.48Å; L296-V425 HydrophobicContact CB-CG2 3.82Å; L296-V425 HydrophobicContact CD1-CB 4.39Å; L296-V425 HydrophobicContact CD1-CG2 3.69Å; L296-V425 HydrophobicContact CG-CG2 4.39Å
297	H	95.5	Very high	94.4	Very high	26 Å²	26	26.6 Å²	26.6	12%	0.12	14%	0.144	C	C	.	.	H	α-helix	trans	-72.2	-35.2	173.6	-73.4	158.7	0	0	0	112.5	A257 E260 V293 A294 L299 Q300 A301	A257-H297 HydrophobicContact CB-CB 4.05Å; E260-H297 IonicContact OE1-CE1 3.26Å; E260-H297 PolarHBondContact OE1-CE1 3.25Å; E260-H297 IonicContact OE1-ND1 3.79Å; E260-H297 PolarHBondContact OE1-ND1 3.45Å; E260-H297 IonicContact OE2-CE1 3.67Å; E260-H297 IonicContact OE2-CG 3.57Å; E260-H297 IonicContact OE2-ND1 3.83Å; E260-H297 PolarHBondContact OE2-ND1 2.78Å; V293-H297 PolarHBondContact O-N 2.97Å; A294-H297 PolarHBondContact O-N 3.37Å; H297-L299 VanDerWaalsContact C-N 3.31Å; H297-L299 PolarHBondContact O-N 3.25Å; H297-Q300 WeakPolarHBondContact O-CB 3.28Å; H297-Q300 PolarHBondContact O-N 3.48Å; H297-A301 PolarHBondContact O-N 3.33Å
298	A	93.5	Very high	94.1	Very high	41 Å²	41	28.1 Å²	28.1	34%	0.339	15%	0.151	S	C	.	.	H	α-helix	trans	-61.1	-43.4	169.2	0	0	0	0	0	110.9	A257 A294 D295 Q300 A301 E302	A257-A298 HydrophobicContact CB-CB 4.02Å; A294-A298 PolarHBondContact O-N 3.35Å; D295-A298 PolarHBondContact O-N 3.41Å; A298-Q300 VanDerWaalsContact C-N 3.32Å; A298-Q300 PolarHBondContact O-N 2.87Å; A298-A301 WeakPolarHBondContact O-CB 3.39Å; A298-A301 PolarHBondContact O-N 3.47Å; A298-A301 VanDerWaalsContact O-N 3.16Å; A298-E302 PolarHBondContact O-N 3.46Å; A298-E302 VanDerWaalsContact O-N 3.09Å
299	L	91.8	Very high	93.9	Very high	30 Å²	30	22.8 Å²	22.8	16%	0.157	13%	0.126	C	C	.	.	H	α-helix	trans	-60.4	-39.9	173.7	173.5	61.2	0	0	0	112.5	L29 T31 D295 L296 H297 E302 A303 I421	L29-L299 HydrophobicContact CB-CD1 3.79Å; L29-L299 HydrophobicContact CD2-CD1 3.48Å; L29-L299 VanDerWaalsContact CD2-CD1 3.48Å; L29-L299 HydrophobicContact CG-CD1 4.24Å; L29-L299 WeakPolarHBondContact O-CD1 3.44Å; L29-L299 WeakPolarHBondContact O-CD2 3.45Å; T31-L299 HydrophobicContact CG2-CD2 4.16Å; D295-L299 WeakPolarHBondContact O-CB 3.24Å; D295-L299 PolarHBondContact O-N 2.79Å; L296-L299 HydrophobicContact CD2-CD2 4.31Å; L296-L299 WeakPolarHBondContact O-CB 3.44Å; L296-L299 PolarHBondContact O-N 2.99Å; H297-L299 VanDerWaalsContact C-N 3.31Å; H297-L299 PolarHBondContact O-N 3.25Å; L299-E302 PolarHBondContact O-N 3.2Å; L299-A303 PolarHBondContact O-N 3.43Å; L299-I421 HydrophobicContact CD2-CD1 4.38Å; L299-I421 HydrophobicContact CD2-CG1 4.08Å; L299-I421 HydrophobicContact CG-CD1 4Å; L299-I421 HydrophobicContact CG-CG1 4.26Å
300	Q	93.7	Very high	93.6	Very high	23 Å²	23	23.1 Å²	23.1	11%	0.107	13%	0.127	C	C	.	.	H	α-helix	trans	-62.9	-40.7	173.8	-176.9	172.2	-64.6	0	0	112.3	L296 H297 A298 E302 A303 H304 L418 I421	L296-Q300 PolarHBondContact O-N 2.93Å; H297-Q300 WeakPolarHBondContact O-CB 3.28Å; H297-Q300 PolarHBondContact O-N 3.48Å; A298-Q300 VanDerWaalsContact C-N 3.32Å; A298-Q300 PolarHBondContact O-N 2.87Å; Q300-E302 VanDerWaalsContact C-N 3.32Å; Q300-E302 PolarHBondContact O-N 3.4Å; Q300-A303 WeakPolarHBondContact O-CB 3.27Å; Q300-A303 PolarHBondContact O-N 2.89Å; Q300-H304 PolarHBondContact O-CD2 3.3Å; Q300-H304 VanDerWaalsContact O-CG 3.28Å; Q300-H304 PolarHBondContact O-N 3.47Å; Q300-L418 HydrophobicContact CG-CD1 3.91Å; Q300-I421 HydrophobicContact CB-CD1 4.4Å; Q300-I421 HydrophobicContact CB-CG2 4.27Å
301	A	93.3	Very high	93.4	Very high	2 Å²	2	22.8 Å²	22.8	2%	0.017	13%	0.125	C	C	.	.	H	α-helix	trans	-62.5	-39.1	176.3	0	0	0	0	0	111.9	D253 H297 A298 H304 T305	D253-A301 HydrophobicContact CB-CB 3.72Å; H297-A301 PolarHBondContact O-N 3.33Å; A298-A301 WeakPolarHBondContact O-CB 3.39Å; A298-A301 PolarHBondContact O-N 3.47Å; A298-A301 VanDerWaalsContact O-N 3.16Å; A301-H304 PolarHBondContact O-N 3.49Å; A301-T305 PolarHBondContact O-N 3.19Å; A301-T305 PolarHBondContact O-OG1 3.21Å
302	E	90.9	Very high	93.2	Very high	15 Å²	15	22.2 Å²	22.2	7%	0.07	12%	0.118	C	C	.	.	H	α-helix	trans	-69.3	-38.9	174.2	-176	52.8	-147.7	0	0	111.7	L29 E143 R147 A298 L299 Q300 H304 T305 C306	L29-E302 HydrophobicContact CD2-CB 4.27Å; L29-E302 HydrophobicContact CD2-CG 4.14Å; E143-E302 HydrophobicContact CG-CG 4.18Å; R147-E302 IonicContact CZ-OE1 2.78Å; R147-E302 IonicContact CZ-OE2 3.81Å; R147-E302 IonicContact NE-OE1 3.06Å; R147-E302 IonicContact NH2-OE1 3.32Å; R147-E302 PolarHBondContact NH2-OE1 3.22Å; R147-E302 IonicContact NH2-OE2 2.87Å; R147-E302 PolarHBondContact NH2-OE2 2.93Å; A298-E302 PolarHBondContact O-N 3.46Å; A298-E302 VanDerWaalsContact O-N 3.09Å; L299-E302 PolarHBondContact O-N 3.2Å; Q300-E302 VanDerWaalsContact C-N 3.32Å; Q300-E302 PolarHBondContact O-N 3.4Å; E302-H304 VanDerWaalsContact C-N 3.33Å; E302-H304 PolarHBondContact O-N 3.45Å; E302-T305 WeakPolarHBondContact O-CB 3.41Å; E302-T305 PolarHBondContact O-N 3.47Å; E302-T305 VanDerWaalsContact O-N 3.13Å; E302-C306 WeakPolarHBondContact O-CB 3.22Å; E302-C306 PolarHBondContact O-N 3.3Å; E302-C306 PolarHBondContact OE1-SG 2.87Å
303	A	90.5	Very high	93.1	Very high	2 Å²	2	22 Å²	22	2%	0.017	11%	0.114	C	C	.	.	H	α-helix	trans	-57.7	-44.7	171.8	0	0	0	0	0	111.9	L29 L299 Q300 T305 C306 H307 L417 I421	L29-A303 HydrophobicContact CD2-CB 4.07Å; L299-A303 PolarHBondContact O-N 3.43Å; Q300-A303 WeakPolarHBondContact O-CB 3.27Å; Q300-A303 PolarHBondContact O-N 2.89Å; A303-T305 VanDerWaalsContact C-N 3.3Å; A303-T305 PolarHBondContact O-N 2.95Å; A303-C306 PolarHBondContact O-N 2.68Å; A303-H307 WeakPolarHBondContact O-CB 3.33Å; A303-H307 PolarHBondContact O-CD2 3.24Å; A303-H307 PolarHBondContact O-N 3.03Å; A303-L417 HydrophobicContact CB-CD2 3.49Å; A303-L417 VanDerWaalsContact CB-CD2 3.49Å; A303-L417 HydrophobicContact CB-CG 4.17Å; A303-I421 HydrophobicContact CB-CD1 4.07Å
304	H	93.1	Very high	92.9	Very high	7 Å²	7	23 Å²	23	3%	0.032	12%	0.118	C	C	.	.	H	α-helix	trans	-60	-41.6	174.7	-70.1	176	0	0	0	111.6	V250 D253 Q300 A301 E302 L308 V309 Y414	V250-H304 HydrophobicContact CG2-CB 3.68Å; D253-H304 IonicContact OD2-CE1 3.12Å; D253-H304 PolarHBondContact OD2-CE1 3.22Å; D253-H304 IonicContact OD2-CG 2.98Å; D253-H304 IonicContact OD2-ND1 3.81Å; D253-H304 PolarHBondContact OD2-ND1 3.37Å; Q300-H304 PolarHBondContact O-CD2 3.3Å; Q300-H304 VanDerWaalsContact O-CG 3.28Å; Q300-H304 PolarHBondContact O-N 3.47Å; A301-H304 PolarHBondContact O-N 3.49Å; E302-H304 VanDerWaalsContact C-N 3.33Å; E302-H304 PolarHBondContact O-N 3.45Å; H304-L308 WeakPolarHBondContact O-CA 3.38Å; H304-L308 VanDerWaalsContact O-CB 3.27Å; H304-L308 WeakPolarHBondContact O-CB 3.38Å; H304-L308 PolarHBondContact O-N 2.89Å; H304-V309 PolarHBondContact O-N 3.38Å; H304-Y414 AromaticContact CD2-CE2 3.38Å; H304-Y414 WeakPolarHBondContact CD2-CE2 3.3Å; H304-Y414 AromaticContact CD2-CZ 3.69Å; H304-Y414 PolarHBondContact CD2-OH 2.86Å; H304-Y414 VanDerWaalsContact CD2-OH 3.25Å; H304-Y414 AromaticContact NE2-CE2 3.69Å; H304-Y414 AromaticContact NE2-CZ 3.64Å; H304-Y414 PolarHBondContact NE2-OH 3.33Å
305	T	92.3	Very high	92.7	Very high	15 Å²	15	24.3 Å²	24.3	9%	0.092	13%	0.125	C	C	.	.	I	π-helix	trans	-63	-53.5	177	-55.7	0	0	0	0	111.1	R147 V250 A301 E302 A303 V309 E310	R147-T305 VanDerWaalsContact NE-CG2 3.25Å; V250-T305 VanDerWaalsContact CG1-OG1 3.28Å; V250-T305 WeakPolarHBondContact CG1-OG1 3.43Å; V250-T305 WeakPolarHBondContact CG2-OG1 3.2Å; A301-T305 PolarHBondContact O-N 3.19Å; A301-T305 PolarHBondContact O-OG1 3.21Å; E302-T305 WeakPolarHBondContact O-CB 3.41Å; E302-T305 PolarHBondContact O-N 3.47Å; E302-T305 VanDerWaalsContact O-N 3.13Å; A303-T305 VanDerWaalsContact C-N 3.3Å; A303-T305 PolarHBondContact O-N 2.95Å; T305-V309 HydrophobicContact CG2-CB 4.47Å; T305-V309 WeakPolarHBondContact O-CB 3.49Å; T305-V309 PolarHBondContact O-N 2.82Å; T305-E310 PolarHBondContact O-N 3.21Å
306	C	88.8	Confident	92.8	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.007	10%	0.104	C	C	.	.	I	π-helix	trans	-65.4	-39.5	-177.4	-84.7	0	0	0	0	114.2	I150 R154 E302 A303	I150-C306 HydrophobicContact CD1-CB 3.62Å; R154-C306 PolarHBondContact NH2-O 3.24Å; E302-C306 WeakPolarHBondContact O-CB 3.22Å; E302-C306 PolarHBondContact O-N 3.3Å; E302-C306 PolarHBondContact OE1-SG 2.87Å; A303-C306 PolarHBondContact O-N 2.68Å
307	H	89	Confident	92.7	Very high	12 Å²	12	20.6 Å²	20.6	6%	0.056	11%	0.11	C	C	.	.	I	π-helix	trans	-101.5	-29.2	-171.5	-68.9	-90.5	0	0	0	114.2	A303 Y311 Y414	A303-H307 WeakPolarHBondContact O-CB 3.33Å; A303-H307 PolarHBondContact O-CD2 3.24Å; A303-H307 PolarHBondContact O-N 3.03Å; H307-Y311 WeakPolarHBondContact O-CB 3.35Å; H307-Y414 HydrophobicContact CB-CD2 4.12Å; H307-Y414 HydrophobicContact CB-CG 4.42Å
308	L	91.9	Very high	92.7	Very high	35 Å²	35	19.9 Å²	19.9	18%	0.183	11%	0.107	C	C	.	.	I	π-helix	trans	-105.4	-52.3	-179.3	-55.5	179.6	0	0	0	112.3	L246 H304 Y311 S312 Y414	L246-L308 HydrophobicContact CD1-CB 4.02Å; L246-L308 HydrophobicContact CD2-CB 3.88Å; L246-L308 HydrophobicContact CD2-CD1 3.94Å; L246-L308 HydrophobicContact CG-CB 4.48Å; H304-L308 WeakPolarHBondContact O-CA 3.38Å; H304-L308 VanDerWaalsContact O-CB 3.27Å; H304-L308 WeakPolarHBondContact O-CB 3.38Å; H304-L308 PolarHBondContact O-N 2.89Å; L308-Y311 PolarHBondContact O-N 2.99Å; L308-S312 WeakPolarHBondContact O-CB 3.49Å; L308-S312 PolarHBondContact O-N 3.18Å; L308-S312 PolarHBondContact O-OG 3.39Å; L308-Y414 HydrophobicContact CD1-CD1 4.45Å; L308-Y414 HydrophobicContact CD1-CE1 3.91Å; L308-Y414 HydrophobicContact CD1-CE2 4.12Å; L308-Y414 HydrophobicContact CD2-CD1 3.73Å; L308-Y414 HydrophobicContact CD2-CD2 4.35Å; L308-Y414 HydrophobicContact CD2-CE1 4Å; L308-Y414 HydrophobicContact CD2-CG 3.9Å; L308-Y414 HydrophobicContact CG-CD1 4.36Å; L308-Y414 HydrophobicContact CG-CD2 4.28Å; L308-Y414 HydrophobicContact CG-CE1 4.3Å; L308-Y414 HydrophobicContact CG-CE2 4.28Å; L308-Y414 HydrophobicContact CG-CG 4.32Å
309	V	93.5	Very high	92.8	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	9%	0.092	C	C	.	.	I	π-helix	trans	-65.8	-48.4	-177.2	176.4	0	0	0	0	110.7	H243 L246 L247 V250 H304 T305 Y311 S312 R313	H243-V309 PolarHBondContact CE1-O 3.44Å; H243-V309 PolarHBondContact ND1-O 2.89Å; L246-V309 HydrophobicContact CB-CG2 3.9Å; L247-V309 HydrophobicContact CD2-CG1 3.66Å; L247-V309 HydrophobicContact CD2-CG2 4.34Å; L247-V309 HydrophobicContact CG-CG1 4.35Å; V250-V309 HydrophobicContact CG2-CG2 3.81Å; H304-V309 PolarHBondContact O-N 3.38Å; T305-V309 HydrophobicContact CG2-CB 4.47Å; T305-V309 WeakPolarHBondContact O-CB 3.49Å; T305-V309 PolarHBondContact O-N 2.82Å; V309-Y311 VanDerWaalsContact C-N 3.34Å; V309-Y311 PolarHBondContact O-N 2.9Å; V309-S312 PolarHBondContact O-N 2.99Å; V309-S312 PolarHBondContact O-OG 2.95Å; V309-R313 PolarHBondContact O-N 3.24Å
310	E	90.9	Very high	93	Very high	16 Å²	16	19.5 Å²	19.5	8%	0.075	10%	0.097	C	C	.	.	H	α-helix	trans	-65.1	-38	176.4	-66.8	-46.5	121.7	0	0	112.6	R147 T305 R313 E314	R147-E310 VanDerWaalsContact CD-OE1 3.22Å; R147-E310 WeakPolarHBondContact CD-OE1 3.46Å; R147-E310 VanDerWaalsContact CG-CD 3.5Å; R147-E310 HydrophobicContact CG-CG 3.3Å; T305-E310 PolarHBondContact O-N 3.21Å; E310-R313 WeakPolarHBondContact O-CB 3.2Å; E310-R313 PolarHBondContact O-N 3.2Å; E310-R313 IonicContact OE1-CZ 2.87Å; E310-R313 IonicContact OE1-NH1 2.6Å; E310-R313 PolarHBondContact OE1-NH1 3.44Å; E310-R313 IonicContact OE1-NH2 3.8Å; E310-R313 IonicContact OE2-CZ 2.68Å; E310-R313 IonicContact OE2-NH1 3.07Å; E310-R313 PolarHBondContact OE2-NH1 3.33Å; E310-E314 WeakPolarHBondContact O-CB 3.45Å; E310-E314 PolarHBondContact O-N 3.35Å
311	Y	92.6	Very high	93.2	Very high	19 Å²	19	19 Å²	19	8%	0.075	10%	0.097	C	C	.	.	H	α-helix	trans	-66.5	-42.3	178.6	-175.8	-112.7	0	0	0	111.9	H307 L308 V309 R313 E314 L315 Y406 F407 A410	H307-Y311 WeakPolarHBondContact O-CB 3.35Å; L308-Y311 PolarHBondContact O-N 2.99Å; V309-Y311 VanDerWaalsContact C-N 3.34Å; V309-Y311 PolarHBondContact O-N 2.9Å; Y311-R313 VanDerWaalsContact C-N 3.31Å; Y311-R313 PolarHBondContact O-N 2.76Å; Y311-E314 WeakPolarHBondContact O-CB 3.46Å; Y311-E314 PolarHBondContact O-N 2.88Å; Y311-L315 HydrophobicContact CD1-CD1 4.12Å; Y311-L315 HydrophobicContact CD1-CG 4.45Å; Y311-L315 HydrophobicContact CE1-CD1 3.68Å; Y311-L315 HydrophobicContact CE1-CD2 4.42Å; Y311-L315 HydrophobicContact CE1-CG 4.11Å; Y311-L315 HydrophobicContact CE2-CD2 4.43Å; Y311-L315 WeakPolarHBondContact O-CG 3.43Å; Y311-L315 PolarHBondContact O-N 3.14Å; Y311-Y406 PolarHBondContact OH-O 3.36Å; Y311-F407 HydrophobicContact CE1-CD2 4.15Å; Y311-F407 WeakPolarHBondContact OH-CA 3.49Å; Y311-F407 PolarHBondContact OH-N 2.81Å; Y311-A410 HydrophobicContact CD1-CB 4.16Å; Y311-A410 HydrophobicContact CD2-CB 3.9Å; Y311-A410 HydrophobicContact CE1-CB 4Å; Y311-A410 HydrophobicContact CE2-CB 3.72Å; Y311-A410 HydrophobicContact CG-CB 4.11Å
312	S	94.4	Very high	93.3	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.021	10%	0.097	C	C	.	.	H	α-helix	trans	-63.8	-35.3	173.7	57.9	0	0	0	0	112.6	H243 L308 V309 L315 L316	H243-S312 PolarHBondContact ND1-OG 3.08Å; L308-S312 WeakPolarHBondContact O-CB 3.49Å; L308-S312 PolarHBondContact O-N 3.18Å; L308-S312 PolarHBondContact O-OG 3.39Å; V309-S312 PolarHBondContact O-N 2.99Å; V309-S312 PolarHBondContact O-OG 2.95Å; S312-L315 PolarHBondContact O-N 2.94Å; S312-L316 WeakPolarHBondContact O-CG 3.34Å; S312-L316 PolarHBondContact O-N 3.14Å
313	R	93.7	Very high	93.6	Very high	82 Å²	82	19.4 Å²	19.4	31%	0.309	10%	0.099	S	C	.	.	H	α-helix	trans	-65.3	-41.6	172.6	-172.4	178.2	-61.6	136.8	7.3	112.2	V309 E310 Y311 L316 G317	V309-R313 PolarHBondContact O-N 3.24Å; E310-R313 WeakPolarHBondContact O-CB 3.2Å; E310-R313 PolarHBondContact O-N 3.2Å; E310-R313 IonicContact OE1-CZ 2.87Å; E310-R313 IonicContact OE1-NH1 2.6Å; E310-R313 PolarHBondContact OE1-NH1 3.44Å; E310-R313 IonicContact OE1-NH2 3.8Å; E310-R313 IonicContact OE2-CZ 2.68Å; E310-R313 IonicContact OE2-NH1 3.07Å; E310-R313 PolarHBondContact OE2-NH1 3.33Å; Y311-R313 VanDerWaalsContact C-N 3.31Å; Y311-R313 PolarHBondContact O-N 2.76Å; R313-L316 WeakPolarHBondContact O-CB 3.4Å; R313-L316 PolarHBondContact O-N 2.86Å; R313-G317 PolarHBondContact O-N 2.92Å
314	E	93	Very high	93.9	Very high	21 Å²	21	21.7 Å²	21.7	10%	0.098	11%	0.11	C	C	.	.	H	α-helix	trans	-61.8	-44.5	174.9	-178.8	-168.4	132.1	0	0	111.4	R154 R158 E310 Y311 L316 G317 M318	R154-E314 VanDerWaalsContact CB-OE2 3.28Å; R154-E314 WeakPolarHBondContact CB-OE2 3.41Å; R154-E314 WeakPolarHBondContact CD-OE2 3.33Å; R154-E314 IonicContact NE-OE2 3.73Å; R154-E314 PolarHBondContact NE-OE2 2.82Å; R158-E314 IonicContact CZ-OE1 2.92Å; R158-E314 IonicContact NE-OE1 2.58Å; R158-E314 PolarHBondContact NE-OE1 3.44Å; R158-E314 IonicContact NH2-OE1 3.73Å; R158-E314 PolarHBondContact NH2-OE1 3.09Å; E310-E314 WeakPolarHBondContact O-CB 3.45Å; E310-E314 PolarHBondContact O-N 3.35Å; Y311-E314 WeakPolarHBondContact O-CB 3.46Å; Y311-E314 PolarHBondContact O-N 2.88Å; E314-L316 VanDerWaalsContact C-N 3.31Å; E314-L316 PolarHBondContact O-N 2.92Å; E314-G317 CarbonylContact O-C 3.58Å; E314-G317 WeakPolarHBondContact O-CA 3.47Å; E314-G317 PolarHBondContact O-N 3.29Å; E314-M318 PolarHBondContact O-N 3.09Å
315	L	94.4	Very high	94.1	Very high	30 Å²	30	21.4 Å²	21.4	16%	0.157	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-39.6	175.1	-68.5	-179.2	0	0	0	112.1	L239 Y311 S312 G317 M318 V319	L239-L315 HydrophobicContact CD1-CB 4.02Å; L239-L315 HydrophobicContact CD2-CB 4.05Å; L239-L315 HydrophobicContact CD2-CD1 3.93Å; Y311-L315 HydrophobicContact CD1-CD1 4.12Å; Y311-L315 HydrophobicContact CD1-CG 4.45Å; Y311-L315 HydrophobicContact CE1-CD1 3.68Å; Y311-L315 HydrophobicContact CE1-CD2 4.42Å; Y311-L315 HydrophobicContact CE1-CG 4.11Å; Y311-L315 HydrophobicContact CE2-CD2 4.43Å; Y311-L315 WeakPolarHBondContact O-CG 3.43Å; Y311-L315 PolarHBondContact O-N 3.14Å; S312-L315 PolarHBondContact O-N 2.94Å; L315-G317 VanDerWaalsContact C-N 3.32Å; L315-M318 PolarHBondContact O-N 2.94Å; L315-V319 WeakPolarHBondContact O-CG2 3.29Å; L315-V319 PolarHBondContact O-N 2.98Å
316	L	95.7	Very high	94.3	Very high	32 Å²	32	21.2 Å²	21.2	17%	0.168	11%	0.108	C	C	.	.	H	α-helix	trans	-61.2	-41.7	171.9	-75.7	167.1	0	0	0	111.8	E236 L239 K240 H243 S312 R313 E314 V319 Q320	E236-L316 HydrophobicContact CG-CD2 4.21Å; L239-L316 HydrophobicContact CB-CD2 3.55Å; L239-L316 HydrophobicContact CB-CG 3.96Å; L239-L316 HydrophobicContact CD1-CD2 4.49Å; K240-L316 HydrophobicContact CG-CD1 4.35Å; K240-L316 HydrophobicContact CG-CD2 3.79Å; H243-L316 HydrophobicContact CB-CD1 4.12Å; S312-L316 WeakPolarHBondContact O-CG 3.34Å; S312-L316 PolarHBondContact O-N 3.14Å; R313-L316 WeakPolarHBondContact O-CB 3.4Å; R313-L316 PolarHBondContact O-N 2.86Å; E314-L316 VanDerWaalsContact C-N 3.31Å; E314-L316 PolarHBondContact O-N 2.92Å; L316-V319 PolarHBondContact O-N 3.47Å; L316-Q320 PolarHBondContact O-N 2.99Å
317	G	95.1	Very high	94.6	Very high	20 Å²	20	21.8 Å²	21.8	21%	0.206	11%	0.112	C	C	.	.	H	α-helix	trans	-62.9	-40.1	174.2	0	0	0	0	0	113	R313 E314 L315 Q320 A321	R313-G317 PolarHBondContact O-N 2.92Å; E314-G317 CarbonylContact O-C 3.58Å; E314-G317 WeakPolarHBondContact O-CA 3.47Å; E314-G317 PolarHBondContact O-N 3.29Å; L315-G317 VanDerWaalsContact C-N 3.32Å; G317-Q320 WeakPolarHBondContact O-CB 3.23Å; G317-Q320 PolarHBondContact O-N 2.8Å; G317-A321 PolarHBondContact O-N 2.82Å
318	M	95.1	Very high	95	Very high	11 Å²	11	21.6 Å²	21.6	5%	0.054	11%	0.111	C	C	.	.	H	α-helix	trans	-64.1	-42.9	175.3	-73.5	-64.9	-57.4	0	0	111.5	I117 P119 P120 E314 L315 Q320 A321 C322 F399	I117-M318 HydrophobicContact CG2-CE 4.15Å; P119-M318 HydrophobicContact CB-SD 4.27Å; P120-M318 WeakPolarHBondContact CD-SD 3.46Å; P120-M318 HydrophobicContact CG-CG 4.21Å; P120-M318 HydrophobicContact CG-SD 4.21Å; E314-M318 PolarHBondContact O-N 3.09Å; L315-M318 PolarHBondContact O-N 2.94Å; M318-Q320 VanDerWaalsContact C-N 3.28Å; M318-Q320 PolarHBondContact O-N 3.06Å; M318-A321 PolarHBondContact O-N 2.65Å; M318-C322 PolarHBondContact O-N 3.31Å; M318-C322 PolarHBondContact O-SG 2.93Å; M318-F399 HydrophobicContact CB-CE2 3.98Å; M318-F399 HydrophobicContact CB-CZ 4.34Å; M318-F399 HydrophobicContact CE-CD2 3.68Å; M318-F399 HydrophobicContact CE-CE2 3.53Å
319	V	95.8	Very high	95.2	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.018	11%	0.105	C	C	.	.	H	α-helix	trans	-60.9	-40.9	174	169.4	0	0	0	0	110.6	L232 W235 E236 L239 L315 L316 C322 K323	L232-V319 HydrophobicContact CB-CG1 4.41Å; L232-V319 HydrophobicContact CD2-CG1 4.18Å; L232-V319 HydrophobicContact CD2-CG2 4.44Å; W235-V319 HydrophobicContact CB-CG2 4.43Å; E236-V319 HydrophobicContact CB-CG1 4.01Å; L239-V319 HydrophobicContact CD1-CG2 3.81Å; L315-V319 WeakPolarHBondContact O-CG2 3.29Å; L315-V319 PolarHBondContact O-N 2.98Å; L316-V319 PolarHBondContact O-N 3.47Å; V319-C322 WeakPolarHBondContact O-CB 3.14Å; V319-C322 PolarHBondContact O-N 3.33Å; V319-K323 HydrophobicContact CG1-CD 4.37Å; V319-K323 WeakPolarHBondContact O-CG 3.29Å; V319-K323 PolarHBondContact O-N 3.35Å
320	Q	96.1	Very high	95.2	Very high	59 Å²	59	21.7 Å²	21.7	28%	0.276	11%	0.111	S	C	.	.	H	α-helix	trans	-62.7	-44.5	174.7	-173	58.5	55.4	0	0	111.8	M199 L316 G317 M318 C322 K323 D324	M199-Q320 PolarHBondContact SD-NE2 2.67Å; L316-Q320 PolarHBondContact O-N 2.99Å; G317-Q320 WeakPolarHBondContact O-CB 3.23Å; G317-Q320 PolarHBondContact O-N 2.8Å; M318-Q320 VanDerWaalsContact C-N 3.28Å; M318-Q320 PolarHBondContact O-N 3.06Å; Q320-C322 VanDerWaalsContact C-N 3.29Å; Q320-C322 PolarHBondContact O-N 3.45Å; Q320-K323 CarbonylContact O-C 3.58Å; Q320-K323 WeakPolarHBondContact O-CA 3.28Å; Q320-K323 WeakPolarHBondContact O-CB 3.34Å; Q320-K323 PolarHBondContact O-N 3.01Å; Q320-D324 PolarHBondContact NE2-OD1 2.88Å; Q320-D324 PolarHBondContact O-N 3.4Å
321	A	96.6	Very high	95.4	Very high	13 Å²	13	27.6 Å²	27.6	11%	0.107	13%	0.132	C	C	.	.	H	α-helix	trans	-60.1	-38.1	176.3	0	0	0	0	0	112.3	I117 V118 G317 M318 K323 D324 V325	I117-A321 HydrophobicContact CG2-CB 3.92Å; V118-A321 WeakPolarHBondContact O-CB 3.34Å; G317-A321 PolarHBondContact O-N 2.82Å; M318-A321 PolarHBondContact O-N 2.65Å; A321-K323 VanDerWaalsContact C-N 3.33Å; A321-K323 PolarHBondContact O-N 3.16Å; A321-D324 PolarHBondContact O-N 2.86Å; A321-V325 PolarHBondContact O-N 3.44Å; A321-V325 VanDerWaalsContact O-N 3.17Å
322	C	96.6	Very high	95.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63	-39.1	172.6	-60.9	0	0	0	0	111.9	L232 M318 V319 Q320 D324 V325 L326 F396	L232-C322 HydrophobicContact CD1-CB 3.64Å; L232-C322 HydrophobicContact CD2-CB 3.8Å; L232-C322 HydrophobicContact CG-CB 4.41Å; M318-C322 PolarHBondContact O-N 3.31Å; M318-C322 PolarHBondContact O-SG 2.93Å; V319-C322 WeakPolarHBondContact O-CB 3.14Å; V319-C322 PolarHBondContact O-N 3.33Å; Q320-C322 VanDerWaalsContact C-N 3.29Å; Q320-C322 PolarHBondContact O-N 3.45Å; C322-D324 VanDerWaalsContact C-N 3.34Å; C322-V325 WeakPolarHBondContact O-CG2 3.5Å; C322-L326 WeakPolarHBondContact O-CG 3.2Å; C322-L326 PolarHBondContact O-N 3.4Å; C322-F396 HydrophobicContact CB-CE2 4.39Å; C322-F396 HydrophobicContact CB-CZ 3.96Å
323	K	96.8	Very high	95.6	Very high	26 Å²	26	29.7 Å²	29.7	11%	0.113	14%	0.141	C	C	.	.	H	α-helix	trans	-70.4	-31.6	175.9	-70	177.7	171.9	-153.4	0	112.6	L232 D233 E236 V319 Q320 A321 L326 S327	L232-K323 HydrophobicContact CB-CG 4.38Å; L232-K323 HydrophobicContact CD1-CG 4.21Å; D233-K323 WeakPolarHBondContact OD1-CE 3.43Å; D233-K323 IonicContact OD1-NZ 3.71Å; D233-K323 PolarHBondContact OD1-NZ 3.41Å; E236-K323 IonicContact OE2-NZ 2.81Å; E236-K323 PolarHBondContact OE2-NZ 2.95Å; V319-K323 HydrophobicContact CG1-CD 4.37Å; V319-K323 WeakPolarHBondContact O-CG 3.29Å; V319-K323 PolarHBondContact O-N 3.35Å; Q320-K323 CarbonylContact O-C 3.58Å; Q320-K323 WeakPolarHBondContact O-CA 3.28Å; Q320-K323 WeakPolarHBondContact O-CB 3.34Å; Q320-K323 PolarHBondContact O-N 3.01Å; A321-K323 VanDerWaalsContact C-N 3.33Å; A321-K323 PolarHBondContact O-N 3.16Å; K323-L326 PolarHBondContact O-N 3.13Å; K323-S327 VanDerWaalsContact O-CB 3.23Å; K323-S327 WeakPolarHBondContact O-CB 3.24Å; K323-S327 PolarHBondContact O-N 3.14Å; K323-S327 PolarHBondContact O-OG 2.94Å
324	D	96.5	Very high	95.6	Very high	49 Å²	49	30.6 Å²	30.6	26%	0.262	15%	0.145	S	C	.	.	H	α-helix	trans	-68.2	-40.1	177.9	-65.5	-19.9	0	0	0	111.1	L112 Q320 A321 C322 S327 E328	L112-D324 HydrophobicContact CD1-CB 4.22Å; Q320-D324 PolarHBondContact NE2-OD1 2.88Å; Q320-D324 PolarHBondContact O-N 3.4Å; A321-D324 PolarHBondContact O-N 2.86Å; C322-D324 VanDerWaalsContact C-N 3.34Å; D324-S327 VanDerWaalsContact O-CB 3.3Å; D324-S327 WeakPolarHBondContact O-CB 3.27Å; D324-S327 PolarHBondContact O-N 3.34Å; D324-E328 WeakPolarHBondContact O-CB 3.38Å; D324-E328 PolarHBondContact O-N 3.03Å
325	V	97.1	Very high	95.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-67.5	-36.5	174.1	-62.5	0	0	0	0	112.4	L112 V116 I117 A321 C322 E328 R329 I392 F396	L112-V325 HydrophobicContact CD1-CG1 3.86Å; V116-V325 WeakPolarHBondContact O-CG1 3.45Å; I117-V325 HydrophobicContact CG1-CG1 4.21Å; I117-V325 HydrophobicContact CG1-CG2 4.01Å; A321-V325 PolarHBondContact O-N 3.44Å; A321-V325 VanDerWaalsContact O-N 3.17Å; C322-V325 WeakPolarHBondContact O-CG2 3.5Å; V325-E328 WeakPolarHBondContact O-CB 3.32Å; V325-E328 PolarHBondContact O-N 2.87Å; V325-R329 PolarHBondContact O-N 3.42Å; V325-I392 HydrophobicContact CB-CD1 4.08Å; V325-I392 HydrophobicContact CB-CG1 4.11Å; V325-I392 HydrophobicContact CG2-CD1 4.36Å; V325-I392 HydrophobicContact CG2-CG1 4.21Å; V325-I392 VanDerWaalsContact O-CD1 3.3Å; V325-I392 WeakPolarHBondContact O-CD1 3.49Å; V325-F396 HydrophobicContact CG2-CE2 3.97Å
326	L	96.4	Very high	95.8	Very high	12 Å²	12	32.8 Å²	32.8	6%	0.063	16%	0.159	C	C	.	.	H	α-helix	trans	-65.9	-42.8	173.9	-68.9	174.9	0	0	0	111.6	F225 A229 L232 C322 K323 E328 R329 V330 I392 F396	F225-L326 HydrophobicContact CD1-CD2 3.79Å; A229-L326 HydrophobicContact CB-CD1 4.13Å; L232-L326 HydrophobicContact CD1-CD1 3.73Å; C322-L326 WeakPolarHBondContact O-CG 3.2Å; C322-L326 PolarHBondContact O-N 3.4Å; K323-L326 PolarHBondContact O-N 3.13Å; L326-E328 VanDerWaalsContact C-N 3.28Å; L326-E328 PolarHBondContact O-N 3.42Å; L326-R329 WeakPolarHBondContact O-CB 3.25Å; L326-R329 PolarHBondContact O-N 2.96Å; L326-V330 WeakPolarHBondContact O-CG2 3.34Å; L326-V330 PolarHBondContact O-N 2.9Å; L326-V330 VanDerWaalsContact O-N 3.09Å; L326-I392 HydrophobicContact CD2-CG2 4.17Å; L326-F396 HydrophobicContact CD1-CZ 3.99Å; L326-F396 HydrophobicContact CD2-CZ 4.25Å; L326-F396 HydrophobicContact CG-CZ 4.04Å
327	S	95.5	Very high	95.8	Very high	13 Å²	13	34.2 Å²	34.2	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-57	-42.4	172.5	-72	0	0	0	0	112	L202 I206 K323 D324 V330 R331	L202-S327 VanDerWaalsContact CD2-CB 3.42Å; I206-S327 WeakPolarHBondContact CD1-OG 3.34Å; K323-S327 VanDerWaalsContact O-CB 3.23Å; K323-S327 WeakPolarHBondContact O-CB 3.24Å; K323-S327 PolarHBondContact O-N 3.14Å; K323-S327 PolarHBondContact O-OG 2.94Å; D324-S327 VanDerWaalsContact O-CB 3.3Å; D324-S327 WeakPolarHBondContact O-CB 3.27Å; D324-S327 PolarHBondContact O-N 3.34Å; S327-V330 PolarHBondContact O-N 2.84Å; S327-R331 PolarHBondContact O-N 3.46Å; S327-R331 VanDerWaalsContact O-N 3.09Å
328	E	97	Very high	95.8	Very high	7 Å²	7	37.1 Å²	37.1	3%	0.033	18%	0.178	C	C	.	.	H	α-helix	trans	-65.5	-46.3	177.3	-173.5	58.4	-144.5	0	0	112	L112 D324 V325 L326 V330 R331 I332 I388	L112-E328 HydrophobicContact CD1-CB 4.24Å; L112-E328 HydrophobicContact CG-CB 4.19Å; L112-E328 HydrophobicContact CG-CG 4.09Å; L112-E328 WeakPolarHBondContact O-CG 3.44Å; D324-E328 WeakPolarHBondContact O-CB 3.38Å; D324-E328 PolarHBondContact O-N 3.03Å; V325-E328 WeakPolarHBondContact O-CB 3.32Å; V325-E328 PolarHBondContact O-N 2.87Å; L326-E328 VanDerWaalsContact C-N 3.28Å; L326-E328 PolarHBondContact O-N 3.42Å; E328-V330 VanDerWaalsContact C-N 3.26Å; E328-V330 PolarHBondContact O-N 2.9Å; E328-R331 WeakPolarHBondContact O-CA 3.42Å; E328-R331 WeakPolarHBondContact O-CB 3.31Å; E328-R331 PolarHBondContact O-N 3.28Å; E328-R331 IonicContact OE1-CZ 3.82Å; E328-R331 IonicContact OE1-NE 2.99Å; E328-R331 PolarHBondContact OE1-NE 2.91Å; E328-R331 VanDerWaalsContact OE1-NE 3.11Å; E328-R331 IonicContact OE1-NH1 2.68Å; E328-R331 IonicContact OE1-NH2 3.24Å; E328-R331 PolarHBondContact OE1-NH2 3.23Å; E328-R331 IonicContact OE2-CZ 2.78Å; E328-R331 IonicContact OE2-NE 3.36Å; E328-R331 PolarHBondContact OE2-NE 2.99Å; E328-R331 IonicContact OE2-NH1 3.89Å; E328-R331 PolarHBondContact OE2-NH1 3.24Å; E328-R331 IonicContact OE2-NH2 3.14Å; E328-R331 PolarHBondContact OE2-NH2 2.95Å; E328-I332 HydrophobicContact CG-CD1 4.31Å; E328-I332 PolarHBondContact O-N 3.49Å; E328-I388 HydrophobicContact CB-CD1 4.11Å; E328-I388 HydrophobicContact CG-CD1 3.72Å
329	R	95.5	Very high	95.9	Very high	16 Å²	16	37 Å²	37	6%	0.06	18%	0.179	C	C	.	.	H	α-helix	trans	-53.2	-45.8	174.4	-179.2	-177.3	-178	-96.2	-4.8	111.7	E222 F225 V325 L326 R331 I332 Y333 F385 I388 S389 I392	E222-R329 IonicContact OE1-CZ 2.82Å; E222-R329 IonicContact OE1-NH1 3.46Å; E222-R329 PolarHBondContact OE1-NH1 3.3Å; E222-R329 IonicContact OE1-NH2 2.61Å; E222-R329 PolarHBondContact OE1-NH2 3.26Å; E222-R329 IonicContact OE2-CZ 3.59Å; E222-R329 IonicContact OE2-NH1 3.66Å; E222-R329 PolarHBondContact OE2-NH1 3.39Å; E222-R329 IonicContact OE2-NH2 3.67Å; F225-R329 VanDerWaalsContact CD2-NH1 3.33Å; V325-R329 PolarHBondContact O-N 3.42Å; L326-R329 WeakPolarHBondContact O-CB 3.25Å; L326-R329 PolarHBondContact O-N 2.96Å; R329-R331 VanDerWaalsContact C-N 3.33Å; R329-R331 PolarHBondContact O-N 3.43Å; R329-I332 PolarHBondContact O-N 3.07Å; R329-Y333 WeakPolarHBondContact O-CB 3.07Å; R329-Y333 PolarHBondContact O-N 2.96Å; R329-F385 HydrophobicContact CG-CD2 4.43Å; R329-F385 HydrophobicContact CG-CE2 3.9Å; R329-I388 HydrophobicContact CB-CD1 4.23Å; R329-I388 HydrophobicContact CB-CG1 4.49Å; R329-I388 HydrophobicContact CG-CG2 4.29Å; R329-S389 PolarHBondContact NE-OG 2.85Å; R329-S389 PolarHBondContact NH2-OG 2.91Å; R329-I392 HydrophobicContact CB-CD1 3.72Å; R329-I392 HydrophobicContact CG-CD1 4.34Å
330	V	94.2	Very high	95.9	Very high	22 Å²	22	39.9 Å²	39.9	13%	0.133	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-39.7	176.3	167.2	0	0	0	0	111.7	I206 L209 L326 S327 E328 R334	I206-V330 HydrophobicContact CG1-CG2 4.49Å; L209-V330 HydrophobicContact CD1-CG1 3.64Å; L209-V330 HydrophobicContact CD2-CG1 4.1Å; L209-V330 HydrophobicContact CG-CG1 4.48Å; L326-V330 WeakPolarHBondContact O-CG2 3.34Å; L326-V330 PolarHBondContact O-N 2.9Å; L326-V330 VanDerWaalsContact O-N 3.09Å; S327-V330 PolarHBondContact O-N 2.84Å; E328-V330 VanDerWaalsContact C-N 3.26Å; E328-V330 PolarHBondContact O-N 2.9Å; V330-R334 WeakPolarHBondContact O-CG 3.37Å; V330-R334 PolarHBondContact O-N 3.36Å; V330-R334 VanDerWaalsContact O-N 3.08Å
331	R	96.1	Very high	95.9	Very high	140 Å²	140	39.9 Å²	39.9	53%	0.528	20%	0.203	S	C	.	.	H	α-helix	trans	-64.3	-45.2	176.2	-173.7	177.8	79.3	-156.7	15.7	111.8	S327 E328 R329 R334 T335	S327-R331 PolarHBondContact O-N 3.46Å; S327-R331 VanDerWaalsContact O-N 3.09Å; E328-R331 WeakPolarHBondContact O-CA 3.42Å; E328-R331 WeakPolarHBondContact O-CB 3.31Å; E328-R331 PolarHBondContact O-N 3.28Å; E328-R331 IonicContact OE1-CZ 3.82Å; E328-R331 IonicContact OE1-NE 2.99Å; E328-R331 PolarHBondContact OE1-NE 2.91Å; E328-R331 VanDerWaalsContact OE1-NE 3.11Å; E328-R331 IonicContact OE1-NH1 2.68Å; E328-R331 IonicContact OE1-NH2 3.24Å; E328-R331 PolarHBondContact OE1-NH2 3.23Å; E328-R331 IonicContact OE2-CZ 2.78Å; E328-R331 IonicContact OE2-NE 3.36Å; E328-R331 PolarHBondContact OE2-NE 2.99Å; E328-R331 IonicContact OE2-NH1 3.89Å; E328-R331 PolarHBondContact OE2-NH1 3.24Å; E328-R331 IonicContact OE2-NH2 3.14Å; E328-R331 PolarHBondContact OE2-NH2 2.95Å; R329-R331 VanDerWaalsContact C-N 3.33Å; R329-R331 PolarHBondContact O-N 3.43Å; R331-R334 PolarHBondContact O-N 3.26Å; R331-T335 PolarHBondContact O-N 3.12Å; R331-T335 VanDerWaalsContact O-N 3.1Å; R331-T335 PolarHBondContact O-OG1 2.73Å
332	I	95	Very high	95.9	Very high	19 Å²	19	43 Å²	43	10%	0.097	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-42.5	178.2	-65.3	-178.2	0	0	0	110.7	S113 E328 R329 R334 T335 W336 K384 F385 I388	S113-I332 WeakPolarHBondContact O-CD1 3.33Å; E328-I332 HydrophobicContact CG-CD1 4.31Å; E328-I332 PolarHBondContact O-N 3.49Å; R329-I332 PolarHBondContact O-N 3.07Å; I332-R334 PolarHBondContact O-N 3.47Å; I332-T335 WeakPolarHBondContact O-CA 3.48Å; I332-T335 WeakPolarHBondContact O-CB 3.49Å; I332-T335 PolarHBondContact O-N 3.41Å; I332-T335 VanDerWaalsContact O-N 3.09Å; I332-W336 PolarHBondContact O-N 3.14Å; I332-K384 HydrophobicContact CG2-CB 4.12Å; I332-F385 HydrophobicContact CG2-CB 4.03Å; I332-I388 HydrophobicContact CD1-CB 4.37Å; I332-I388 HydrophobicContact CD1-CD1 3.69Å; I332-I388 HydrophobicContact CD1-CG2 4.2Å; I332-I388 HydrophobicContact CG2-CG2 4.47Å
333	Y	94.5	Very high	95.9	Very high	47 Å²	47	43.4 Å²	43.4	18%	0.184	22%	0.22	C	C	.	.	H	α-helix	trans	-55.2	-49.6	173.6	178	-104.1	0	0	0	112.5	R329 T335 W336 K337 F385	R329-Y333 WeakPolarHBondContact O-CB 3.07Å; R329-Y333 PolarHBondContact O-N 2.96Å; Y333-T335 PolarHBondContact O-N 3.21Å; Y333-W336 HydrophobicContact CD2-CE3 4.04Å; Y333-W336 HydrophobicContact CD2-CZ3 4.31Å; Y333-W336 HydrophobicContact CE2-CE3 4.32Å; Y333-W336 HydrophobicContact CE2-CZ3 4.27Å; Y333-W336 WeakPolarHBondContact O-CB 3.26Å; Y333-W336 PolarHBondContact O-N 2.72Å; Y333-W336 VanDerWaalsContact O-N 3.16Å; Y333-K337 HydrophobicContact CD1-CG 4.22Å; Y333-K337 HydrophobicContact CD2-CG 4.31Å; Y333-K337 HydrophobicContact CE1-CG 3.73Å; Y333-K337 HydrophobicContact CE2-CD 4.1Å; Y333-K337 HydrophobicContact CE2-CG 3.84Å; Y333-K337 HydrophobicContact CG-CG 4.49Å; Y333-K337 VanDerWaalsContact CZ-CE 3.48Å; Y333-K337 PolarHBondContact O-N 2.76Å; Y333-K337 VanDerWaalsContact OH-CE 3.22Å; Y333-K337 WeakPolarHBondContact OH-CE 3.38Å; Y333-F385 HydrophobicContact CD2-CD2 4.2Å; Y333-F385 HydrophobicContact CD2-CE1 4.04Å; Y333-F385 AromaticContact CD2-CE2 3.71Å; Y333-F385 HydrophobicContact CD2-CE2 3.71Å; Y333-F385 AromaticContact CD2-CZ 3.58Å; Y333-F385 HydrophobicContact CD2-CZ 3.58Å; Y333-F385 HydrophobicContact CE2-CZ 4.36Å; Y333-F385 HydrophobicContact CG-CE2 4.05Å; Y333-F385 HydrophobicContact CG-CZ 4.32Å
334	R	94.2	Very high	95.9	Very high	102 Å²	102	50.3 Å²	50.3	39%	0.385	25%	0.245	S	C	.	.	H	α-helix	trans	-59.1	-36.9	176.9	-71.6	172.3	-177.1	174.9	1.6	112	V330 R331 I332 T338	V330-R334 WeakPolarHBondContact O-CG 3.37Å; V330-R334 PolarHBondContact O-N 3.36Å; V330-R334 VanDerWaalsContact O-N 3.08Å; R331-R334 PolarHBondContact O-N 3.26Å; I332-R334 PolarHBondContact O-N 3.47Å; R334-T338 WeakPolarHBondContact O-CB 3.47Å; R334-T338 PolarHBondContact O-N 2.83Å; R334-T338 PolarHBondContact O-OG1 3.02Å
335	T	95.8	Very high	95.8	Very high	84 Å²	84	51.6 Å²	51.6	52%	0.515	26%	0.257	S	S	.	.	H	α-helix	trans	-65.3	-45	177.6	-56.8	0	0	0	0	110.6	R331 I332 Y333 T338 A339	R331-T335 PolarHBondContact O-N 3.12Å; R331-T335 VanDerWaalsContact O-N 3.1Å; R331-T335 PolarHBondContact O-OG1 2.73Å; I332-T335 WeakPolarHBondContact O-CA 3.48Å; I332-T335 WeakPolarHBondContact O-CB 3.49Å; I332-T335 PolarHBondContact O-N 3.41Å; I332-T335 VanDerWaalsContact O-N 3.09Å; Y333-T335 PolarHBondContact O-N 3.21Å; T335-T338 PolarHBondContact O-N 2.84Å; T335-A339 PolarHBondContact O-N 2.69Å
336	W	96.2	Very high	95.8	Very high	12 Å²	12	53.3 Å²	53.3	5%	0.045	27%	0.265	C	S	.	.	H	α-helix	trans	-60.9	-51.1	174.1	173.5	32.9	0	0	0	112.1	I332 Y333 T338 A339 E340 A381 Q382 F385	I332-W336 PolarHBondContact O-N 3.14Å; Y333-W336 HydrophobicContact CD2-CE3 4.04Å; Y333-W336 HydrophobicContact CD2-CZ3 4.31Å; Y333-W336 HydrophobicContact CE2-CE3 4.32Å; Y333-W336 HydrophobicContact CE2-CZ3 4.27Å; Y333-W336 WeakPolarHBondContact O-CB 3.26Å; Y333-W336 PolarHBondContact O-N 2.72Å; Y333-W336 VanDerWaalsContact O-N 3.16Å; W336-T338 VanDerWaalsContact C-N 3.28Å; W336-T338 PolarHBondContact O-N 2.81Å; W336-A339 WeakPolarHBondContact O-CA 3.44Å; W336-A339 WeakPolarHBondContact O-CB 3.48Å; W336-A339 PolarHBondContact O-N 2.98Å; W336-E340 VanDerWaalsContact CE2-OE1 3.26Å; W336-E340 VanDerWaalsContact CZ2-OE1 3.25Å; W336-E340 WeakPolarHBondContact CZ2-OE1 3.49Å; W336-E340 VanDerWaalsContact NE1-CD 3.32Å; W336-E340 PolarHBondContact NE1-OE1 3.37Å; W336-E340 PolarHBondContact O-N 2.81Å; W336-A381 HydrophobicContact CB-CB 3.85Å; W336-A381 HydrophobicContact CG-CB 4.31Å; W336-Q382 HydrophobicContact CD2-CB 4.23Å; W336-Q382 HydrophobicContact CD2-CG 4.4Å; W336-Q382 HydrophobicContact CG-CB 4.42Å; W336-Q382 HydrophobicContact CH2-CG 4.14Å; W336-Q382 HydrophobicContact CZ2-CB 4.13Å; W336-Q382 HydrophobicContact CZ2-CG 3.59Å; W336-F385 HydrophobicContact CE3-CB 4.03Å; W336-F385 AromaticContact CE3-CD1 3.52Å; W336-F385 HydrophobicContact CE3-CD1 3.52Å; W336-F385 HydrophobicContact CE3-CE1 4.13Å; W336-F385 AromaticContact CE3-CG 3.84Å; W336-F385 HydrophobicContact CE3-CG 3.84Å; W336-F385 HydrophobicContact CH2-CD1 4.49Å; W336-F385 AromaticContact CZ3-CD1 3.39Å; W336-F385 HydrophobicContact CZ3-CD1 3.39Å; W336-F385 AromaticContact CZ3-CE1 3.7Å; W336-F385 HydrophobicContact CZ3-CE1 3.7Å; W336-F385 HydrophobicContact CZ3-CG 4.19Å
337	K	95.2	Very high	95.7	Very high	62 Å²	62	58 Å²	58	27%	0.27	28%	0.282	S	S	.	.	H	α-helix	trans	-62.7	-33.1	179.1	-64.6	-45.4	-172	-168.7	0	113.6	Y333 E340 A341	Y333-K337 HydrophobicContact CD1-CG 4.22Å; Y333-K337 HydrophobicContact CD2-CG 4.31Å; Y333-K337 HydrophobicContact CE1-CG 3.73Å; Y333-K337 HydrophobicContact CE2-CD 4.1Å; Y333-K337 HydrophobicContact CE2-CG 3.84Å; Y333-K337 HydrophobicContact CG-CG 4.49Å; Y333-K337 VanDerWaalsContact CZ-CE 3.48Å; Y333-K337 PolarHBondContact O-N 2.76Å; Y333-K337 VanDerWaalsContact OH-CE 3.22Å; Y333-K337 WeakPolarHBondContact OH-CE 3.38Å; K337-E340 WeakPolarHBondContact CD-OE2 3.28Å; K337-E340 WeakPolarHBondContact CE-OE2 3.26Å; K337-E340 IonicContact NZ-OE1 2.6Å; K337-E340 IonicContact NZ-OE2 2.78Å; K337-E340 PolarHBondContact NZ-OE2 3.27Å; K337-E340 PolarHBondContact O-N 3.44Å; K337-A341 WeakPolarHBondContact O-CB 3.21Å; K337-A341 PolarHBondContact O-N 3.42Å
338	T	95.9	Very high	95.6	Very high	82 Å²	82	60.9 Å²	60.9	50%	0.503	29%	0.294	S	S	.	.	H	α-helix	trans	-67.2	-40.4	172.6	-56.9	0	0	0	0	111.4	R334 T335 W336 A341 N342	R334-T338 WeakPolarHBondContact O-CB 3.47Å; R334-T338 PolarHBondContact O-N 2.83Å; R334-T338 PolarHBondContact O-OG1 3.02Å; T335-T338 PolarHBondContact O-N 2.84Å; W336-T338 VanDerWaalsContact C-N 3.28Å; W336-T338 PolarHBondContact O-N 2.81Å; T338-A341 PolarHBondContact O-N 3.43Å; T338-N342 VanDerWaalsContact O-CG 3.23Å; T338-N342 PolarHBondContact O-N 2.86Å; T338-N342 PolarHBondContact O-ND2 3.29Å
339	A	96.9	Very high	95.4	Very high	9 Å²	9	64.4 Å²	64.4	7%	0.074	31%	0.31	C	S	.	.	H	α-helix	trans	-62.9	-43.3	174.6	0	0	0	0	0	111.6	T335 W336 A341 N342 L343 V378	T335-A339 PolarHBondContact O-N 2.69Å; W336-A339 WeakPolarHBondContact O-CA 3.44Å; W336-A339 WeakPolarHBondContact O-CB 3.48Å; W336-A339 PolarHBondContact O-N 2.98Å; A339-A341 PolarHBondContact O-N 2.68Å; A339-N342 PolarHBondContact O-N 3.38Å; A339-L343 PolarHBondContact O-N 2.94Å; A339-V378 VanDerWaalsContact C-CG2 3.42Å; A339-V378 HydrophobicContact CB-CG2 3.79Å; A339-V378 WeakPolarHBondContact O-CG2 3.48Å
340	E	95.6	Very high	95.1	Very high	63 Å²	63	66.2 Å²	66.2	29%	0.294	32%	0.319	S	S	.	.	H	α-helix	trans	-60.5	-44.9	176.1	-72.4	-174.3	148.1	0	0	112.1	W336 K337 N342 L343 R344 V378	W336-E340 VanDerWaalsContact CE2-OE1 3.26Å; W336-E340 VanDerWaalsContact CZ2-OE1 3.25Å; W336-E340 WeakPolarHBondContact CZ2-OE1 3.49Å; W336-E340 VanDerWaalsContact NE1-CD 3.32Å; W336-E340 PolarHBondContact NE1-OE1 3.37Å; W336-E340 PolarHBondContact O-N 2.81Å; K337-E340 WeakPolarHBondContact CD-OE2 3.28Å; K337-E340 WeakPolarHBondContact CE-OE2 3.26Å; K337-E340 IonicContact NZ-OE1 2.6Å; K337-E340 IonicContact NZ-OE2 2.78Å; K337-E340 PolarHBondContact NZ-OE2 3.27Å; K337-E340 PolarHBondContact O-N 3.44Å; E340-N342 VanDerWaalsContact C-N 3.34Å; E340-N342 PolarHBondContact O-N 3.11Å; E340-L343 PolarHBondContact O-N 3.34Å; E340-R344 WeakPolarHBondContact O-CB 3.44Å; E340-R344 PolarHBondContact O-N 3.27Å; E340-V378 HydrophobicContact CG-CG1 3.82Å; E340-V378 HydrophobicContact CG-CG2 4.33Å
341	A	95.9	Very high	94.9	Very high	59 Å²	59	69.4 Å²	69.4	49%	0.488	33%	0.334	S	S	.	.	H	α-helix	trans	-62.6	-40.8	177.6	0	0	0	0	0	112.2	K337 T338 A339 R344 S345	K337-A341 WeakPolarHBondContact O-CB 3.21Å; K337-A341 PolarHBondContact O-N 3.42Å; T338-A341 PolarHBondContact O-N 3.43Å; A339-A341 PolarHBondContact O-N 2.68Å; A341-R344 PolarHBondContact O-N 3.06Å; A341-S345 PolarHBondContact O-N 3.48Å
342	N	96.3	Very high	94.6	Very high	77 Å²	77	70.9 Å²	70.9	41%	0.412	34%	0.34	S	S	.	.	H	α-helix	trans	-64.4	-45.5	176.3	-71.8	-26.9	0	0	0	111.8	T338 A339 E340 R344 S345 K346 L374	T338-N342 VanDerWaalsContact O-CG 3.23Å; T338-N342 PolarHBondContact O-N 2.86Å; T338-N342 PolarHBondContact O-ND2 3.29Å; A339-N342 PolarHBondContact O-N 3.38Å; E340-N342 VanDerWaalsContact C-N 3.34Å; E340-N342 PolarHBondContact O-N 3.11Å; N342-R344 VanDerWaalsContact C-N 3.35Å; N342-R344 PolarHBondContact O-N 3.42Å; N342-S345 PolarHBondContact O-N 2.86Å; N342-K346 WeakPolarHBondContact O-CB 3.34Å; N342-K346 PolarHBondContact O-N 3.5Å; N342-L374 HydrophobicContact CB-CD2 4.29Å
343	L	97	Very high	94.1	Very high	10 Å²	10	72.4 Å²	72.4	5%	0.052	35%	0.347	C	S	.	.	H	α-helix	trans	-59.8	-45.8	175.7	177.7	61.2	0	0	0	111	A339 E340 K346 R347 L371 L374 E375 V378	A339-L343 PolarHBondContact O-N 2.94Å; E340-L343 PolarHBondContact O-N 3.34Å; L343-K346 PolarHBondContact O-N 2.93Å; L343-R347 HydrophobicContact CD1-CG 4.34Å; L343-R347 WeakPolarHBondContact O-CG 3.39Å; L343-R347 PolarHBondContact O-N 3.48Å; L343-L371 HydrophobicContact CD1-CD2 3.85Å; L343-L374 HydrophobicContact CB-CB 4.31Å; L343-L374 HydrophobicContact CD1-CB 3.8Å; L343-E375 HydrophobicContact CD1-CB 4.36Å; L343-E375 HydrophobicContact CD2-CB 4.4Å; L343-V378 HydrophobicContact CB-CG2 4Å; L343-V378 HydrophobicContact CD2-CB 4.29Å; L343-V378 HydrophobicContact CD2-CG2 3.84Å
344	R	96.1	Very high	93.7	Very high	171 Å²	171	75.5 Å²	75.5	65%	0.645	36%	0.363	S	S	*	.	H	α-helix	trans	-58.9	-50.6	176.7	-179.1	-179.5	173.4	168.1	4.2	111.9	E340 A341 N342 K346 R347 E348	E340-R344 WeakPolarHBondContact O-CB 3.44Å; E340-R344 PolarHBondContact O-N 3.27Å; A341-R344 PolarHBondContact O-N 3.06Å; N342-R344 VanDerWaalsContact C-N 3.35Å; N342-R344 PolarHBondContact O-N 3.42Å; R344-K346 PolarHBondContact O-N 3.05Å; R344-R347 PolarHBondContact O-N 2.93Å; R344-E348 IonicContact NE-OE1 3.44Å; R344-E348 PolarHBondContact NE-OE1 3.47Å; R344-E348 WeakPolarHBondContact O-CG 3.39Å; R344-E348 PolarHBondContact O-N 3.36Å
345	S	96.4	Very high	93.3	Very high	75 Å²	75	78 Å²	78	52%	0.524	38%	0.381	S	S	.	.	H	α-helix	trans	-59.8	-35.9	178.3	-176.3	0	0	0	0	112	A341 N342 Q349	A341-S345 PolarHBondContact O-N 3.48Å; N342-S345 PolarHBondContact O-N 2.86Å; S345-Q349 PolarHBondContact O-N 2.96Å
346	K	95.3	Very high	92.7	Very high	37 Å²	37	76.3 Å²	76.3	16%	0.161	38%	0.375	C	S	.	.	H	α-helix	trans	-72.7	-38.7	178.3	-163	73.3	179.8	179.5	0	112.4	N342 L343 R344 E348 Q349 K350 E370 L371 L374	N342-K346 WeakPolarHBondContact O-CB 3.34Å; N342-K346 PolarHBondContact O-N 3.5Å; L343-K346 PolarHBondContact O-N 2.93Å; R344-K346 PolarHBondContact O-N 3.05Å; K346-E348 VanDerWaalsContact C-N 3.33Å; K346-Q349 WeakPolarHBondContact O-CB 3.34Å; K346-Q349 PolarHBondContact O-N 3Å; K346-Q349 VanDerWaalsContact O-N 3.14Å; K346-K350 PolarHBondContact O-N 3.14Å; K346-E370 WeakPolarHBondContact CE-OE2 3.3Å; K346-E370 IonicContact NZ-OE2 3.94Å; K346-E370 PolarHBondContact NZ-OE2 3.29Å; K346-L371 HydrophobicContact CB-CD2 3.69Å; K346-L371 HydrophobicContact CG-CD2 3.62Å; K346-L371 HydrophobicContact CG-CG 3.95Å; K346-L374 HydrophobicContact CB-CD1 3.66Å; K346-L374 HydrophobicContact CD-CD1 4.44Å; K346-L374 HydrophobicContact CG-CD1 3.82Å
347	R	94.8	Very high	91.9	Very high	112 Å²	112	82.3 Å²	82.3	42%	0.423	42%	0.416	S	S	.	.	H	α-helix	trans	-60.2	-44.4	173	-75.1	177.1	172.5	170.7	-2.5	110.7	L343 R344 Q349 K350 I351 L371 E375	L343-R347 HydrophobicContact CD1-CG 4.34Å; L343-R347 WeakPolarHBondContact O-CG 3.39Å; L343-R347 PolarHBondContact O-N 3.48Å; R344-R347 PolarHBondContact O-N 2.93Å; R347-Q349 VanDerWaalsContact C-N 3.31Å; R347-Q349 PolarHBondContact O-N 2.85Å; R347-K350 PolarHBondContact O-N 2.68Å; R347-I351 WeakPolarHBondContact O-CG1 3.39Å; R347-I351 PolarHBondContact O-N 2.93Å; R347-I351 VanDerWaalsContact O-N 3.13Å; R347-L371 HydrophobicContact CB-CD2 4.45Å; R347-L371 HydrophobicContact CG-CD2 3.66Å; R347-E375 IonicContact NH2-OE1 3.68Å; R347-E375 PolarHBondContact NH2-OE1 2.99Å; R347-E375 IonicContact NH2-OE2 3.3Å
348	E	94.1	Very high	90.7	Very high	73 Å²	73	90.1 Å²	90.1	34%	0.341	44%	0.444	S	S	.	.	H	α-helix	trans	-61.9	-37.9	173.7	-69.5	176.4	-163.6	0	0	112.3	R344 K346 R352	R344-E348 IonicContact NE-OE1 3.44Å; R344-E348 PolarHBondContact NE-OE1 3.47Å; R344-E348 WeakPolarHBondContact O-CG 3.39Å; R344-E348 PolarHBondContact O-N 3.36Å; K346-E348 VanDerWaalsContact C-N 3.33Å; E348-R352 WeakPolarHBondContact O-CG 3.38Å; E348-R352 PolarHBondContact O-N 3.5Å; E348-R352 VanDerWaalsContact O-N 3.16Å; E348-R352 IonicContact OE2-NH2 3.65Å
349	Q	91.7	Very high	89.4	Confident	81 Å²	81	92.5 Å²	92.5	38%	0.379	45%	0.453	S	S	.	.	H	α-helix	trans	-61.6	-46.9	174.6	-160	-167	-4.6	0	0	111.3	S345 K346 R347 I351 R352 M353	S345-Q349 PolarHBondContact O-N 2.96Å; K346-Q349 WeakPolarHBondContact O-CB 3.34Å; K346-Q349 PolarHBondContact O-N 3Å; K346-Q349 VanDerWaalsContact O-N 3.14Å; R347-Q349 VanDerWaalsContact C-N 3.31Å; R347-Q349 PolarHBondContact O-N 2.85Å; Q349-I351 PolarHBondContact O-N 2.86Å; Q349-R352 PolarHBondContact O-N 3.09Å; Q349-M353 HydrophobicContact CB-CE 4.3Å; Q349-M353 HydrophobicContact CG-CE 3.73Å; Q349-M353 WeakPolarHBondContact O-CE 3.46Å; Q349-M353 PolarHBondContact O-N 3.38Å; Q349-M353 VanDerWaalsContact O-N 3.07Å
350	K	90.1	Very high	88.6	Confident	54 Å²	54	95.2 Å²	95.2	24%	0.235	47%	0.466	C	S	.	.	H	α-helix	trans	-56.6	-49.1	178.1	178.6	172	170	174	0	111.5	K346 R347 R352 M353 E354 M364 I367 T368 L371	K346-K350 PolarHBondContact O-N 3.14Å; R347-K350 PolarHBondContact O-N 2.68Å; K350-R352 VanDerWaalsContact C-N 3.29Å; K350-R352 PolarHBondContact O-N 3.35Å; K350-M353 PolarHBondContact O-N 3.45Å; K350-E354 WeakPolarHBondContact CE-OE1 3.41Å; K350-E354 HydrophobicContact CG-CG 4.49Å; K350-E354 WeakPolarHBondContact O-CG 3.19Å; K350-E354 PolarHBondContact O-N 3.42Å; K350-M364 HydrophobicContact CG-CE 4.42Å; K350-I367 HydrophobicContact CB-CG2 3.78Å; K350-I367 HydrophobicContact CD-CG2 4.38Å; K350-I367 HydrophobicContact CG-CG2 4.16Å; K350-T368 PolarHBondContact NZ-OG1 3.06Å; K350-L371 HydrophobicContact CB-CD1 3.99Å; K350-L371 HydrophobicContact CD-CD1 3.36Å; K350-L371 HydrophobicContact CG-CD1 4.27Å
351	I	89.6	Confident	88	Confident	89 Å²	89	97.6 Å²	97.6	46%	0.456	48%	0.481	S	S	.	.	H	α-helix	trans	-57.5	-42.4	178.2	-64.9	166.2	0	0	0	111	R347 Q349 M353 E354 M355	R347-I351 WeakPolarHBondContact O-CG1 3.39Å; R347-I351 PolarHBondContact O-N 2.93Å; R347-I351 VanDerWaalsContact O-N 3.13Å; Q349-I351 PolarHBondContact O-N 2.86Å; I351-M353 VanDerWaalsContact C-N 3.32Å; I351-M353 PolarHBondContact O-N 2.89Å; I351-E354 PolarHBondContact O-N 3.46Å; I351-M355 HydrophobicContact CG2-CE 3.99Å; I351-M355 WeakPolarHBondContact O-CG 3.47Å; I351-M355 PolarHBondContact O-N 3.22Å
352	R	89.1	Confident	87.5	Confident	171 Å²	171	103 Å²	103	65%	0.645	49%	0.494	S	S	*	.	H	α-helix	trans	-64.5	-34.3	177.1	-68.8	176	-162.5	164.1	9.8	113.1	E348 Q349 K350 A356	E348-R352 WeakPolarHBondContact O-CG 3.38Å; E348-R352 PolarHBondContact O-N 3.5Å; E348-R352 VanDerWaalsContact O-N 3.16Å; E348-R352 IonicContact OE2-NH2 3.65Å; Q349-R352 PolarHBondContact O-N 3.09Å; K350-R352 VanDerWaalsContact C-N 3.29Å; K350-R352 PolarHBondContact O-N 3.35Å; R352-A356 PolarHBondContact O-N 3.04Å
353	M	86.3	Confident	87	Confident	51 Å²	51	105.4 Å²	105.4	25%	0.251	50%	0.5	S	S	.	.	H	α-helix	trans	-75.3	-34.4	177.8	-75.4	179.1	-67.1	0	0	112.5	Q349 K350 I351 M355 A356 M364 I367	Q349-M353 HydrophobicContact CB-CE 4.3Å; Q349-M353 HydrophobicContact CG-CE 3.73Å; Q349-M353 WeakPolarHBondContact O-CE 3.46Å; Q349-M353 PolarHBondContact O-N 3.38Å; Q349-M353 VanDerWaalsContact O-N 3.07Å; K350-M353 PolarHBondContact O-N 3.45Å; I351-M353 VanDerWaalsContact C-N 3.32Å; I351-M353 PolarHBondContact O-N 2.89Å; M353-M355 VanDerWaalsContact C-N 3.26Å; M353-M355 PolarHBondContact O-N 2.87Å; M353-A356 WeakPolarHBondContact O-CB 3.42Å; M353-A356 PolarHBondContact O-N 3.32Å; M353-A356 VanDerWaalsContact O-N 3.16Å; M353-M364 HydrophobicContact CB-SD 4.08Å; M353-I367 HydrophobicContact CE-CB 4.16Å; M353-I367 HydrophobicContact CE-CD1 3.04Å; M353-I367 HydrophobicContact CE-CG1 3.53Å; M353-I367 HydrophobicContact CE-CG2 3.9Å; M353-I367 HydrophobicContact SD-CD1 3.3Å; M353-I367 WeakPolarHBondContact SD-CD1 3.48Å; M353-I367 HydrophobicContact SD-CG1 4.38Å
354	E	85.9	Confident	86.5	Confident	112 Å²	112	106.6 Å²	106.6	52%	0.523	51%	0.506	S	S	.	.	H	α-helix	trans	-65	-30.6	172.9	-70.8	173.3	172.5	0	0	112.4	K350 I351 A356 M364	K350-E354 WeakPolarHBondContact CE-OE1 3.41Å; K350-E354 HydrophobicContact CG-CG 4.49Å; K350-E354 WeakPolarHBondContact O-CG 3.19Å; K350-E354 PolarHBondContact O-N 3.42Å; I351-E354 PolarHBondContact O-N 3.46Å; E354-A356 VanDerWaalsContact C-N 3.34Å; E354-M364 HydrophobicContact CG-CE 3.35Å; E354-M364 HydrophobicContact CG-SD 4.29Å; E354-M364 WeakPolarHBondContact OE1-CE 3.46Å
355	M	85.1	Confident	86.1	Confident	154 Å²	154	101.4 Å²	101.4	76%	0.759	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-12.2	174.2	-68.1	-177.8	175.8	0	0	114	I351 M353	I351-M355 HydrophobicContact CG2-CE 3.99Å; I351-M355 WeakPolarHBondContact O-CG 3.47Å; I351-M355 PolarHBondContact O-N 3.22Å; M353-M355 VanDerWaalsContact C-N 3.26Å; M353-M355 PolarHBondContact O-N 2.87Å
356	A	83.6	Confident	85.9	Confident	48 Å²	48	101 Å²	101	40%	0.397	49%	0.494	S	S	.	.	S	Bend	trans	-81.4	140.8	-176.3	0	0	0	0	0	111.6	R352 M353 E354 R358	R352-A356 PolarHBondContact O-N 3.04Å; M353-A356 WeakPolarHBondContact O-CB 3.42Å; M353-A356 PolarHBondContact O-N 3.32Å; M353-A356 VanDerWaalsContact O-N 3.16Å; E354-A356 VanDerWaalsContact C-N 3.34Å; A356-R358 PolarHBondContact O-N 3.25Å
357	P	78.4	Confident	85.7	Confident	139 Å²	139	99.8 Å²	99.8	90%	0.903	49%	0.49	S	S	*	.	S	Bend	trans	-68.7	-6.3	-175.3	24.5	-32.9	0	0	0	114.9
358	R	71.3	Confident	85.5	Confident	226 Å²	226	97.4 Å²	97.4	85%	0.853	49%	0.487	S	S	*	.			trans	-102.3	105.3	178.9	-77.2	-173.5	167.5	-172.8	-3.1	110.2	A356 D360	A356-R358 PolarHBondContact O-N 3.25Å; R358-D360 PolarHBondContact O-N 3.45Å; R358-D360 VanDerWaalsContact O-N 3.15Å
359	N	67.9	Low	85.5	Confident	132 Å²	132	99 Å²	99	71%	0.706	50%	0.496	S	S	*	.			trans	-83.8	85.1	178.6	-152.9	11.4	0	0	0	110.7	N361	N359-N361 PolarHBondContact O-N 3.07Å; N359-N361 PolarHBondContact OD1-OD1 3.48Å
360	D	79.9	Confident	85.6	Confident	65 Å²	65	98.5 Å²	98.5	35%	0.348	49%	0.494	S	S	.	.			trans	-89.7	87.5	171.7	-169.7	-16.9	0	0	0	109.3	R358 K362 K363 M364	R358-D360 PolarHBondContact O-N 3.45Å; R358-D360 VanDerWaalsContact O-N 3.15Å; D360-K362 PolarHBondContact O-N 2.9Å; D360-K362 VanDerWaalsContact O-N 3.09Å; D360-K362 PolarHBondContact OD1-N 2.87Å; D360-K363 HydrophobicContact CB-CB 4.15Å; D360-K363 HydrophobicContact CB-CD 4.08Å; D360-K363 HydrophobicContact CB-CG 4.22Å; D360-K363 PolarHBondContact O-N 3.35Å; D360-K363 PolarHBondContact OD1-N 2.87Å; D360-K363 WeakPolarHBondContact OD2-CD 3.43Å; D360-K363 WeakPolarHBondContact OD2-CE 3.45Å; D360-K363 WeakPolarHBondContact OD2-CG 3.5Å; D360-K363 IonicContact OD2-NZ 2.81Å; D360-M364 PolarHBondContact O-N 3.43Å
361	N	83.2	Confident	85.9	Confident	114 Å²	114	96.8 Å²	96.8	61%	0.61	49%	0.487	S	S	*	.	H	α-helix	trans	-53.1	-32	-178.5	-71.7	-11.8	0	0	0	112.8	N359 A365	N359-N361 PolarHBondContact O-N 3.07Å; N359-N361 PolarHBondContact OD1-OD1 3.48Å; N361-A365 PolarHBondContact O-N 2.87Å
362	K	85.7	Confident	86.1	Confident	173 Å²	173	98.3 Å²	98.3	75%	0.752	49%	0.492	S	S	*	.	H	α-helix	trans	-68.4	-45.3	178.5	-69.2	-175.5	177.9	-178.3	0	111.1	D360 A365 T366	D360-K362 PolarHBondContact O-N 2.9Å; D360-K362 VanDerWaalsContact O-N 3.09Å; D360-K362 PolarHBondContact OD1-N 2.87Å; K362-A365 PolarHBondContact O-N 2.9Å; K362-T366 PolarHBondContact O-N 3.4Å; K362-T366 VanDerWaalsContact O-N 3.09Å; K362-T366 PolarHBondContact O-OG1 2.94Å; K362-T366 VanDerWaalsContact O-OG1 3.09Å
363	K	85.9	Confident	86.5	Confident	126 Å²	126	94.4 Å²	94.4	55%	0.548	48%	0.484	S	S	.	.	H	α-helix	trans	-63.6	-42.6	175.3	-71.2	179.7	-174.8	169.3	0	111.6	D360 A365 T366 I367	D360-K363 HydrophobicContact CB-CB 4.15Å; D360-K363 HydrophobicContact CB-CD 4.08Å; D360-K363 HydrophobicContact CB-CG 4.22Å; D360-K363 PolarHBondContact O-N 3.35Å; D360-K363 PolarHBondContact OD1-N 2.87Å; D360-K363 WeakPolarHBondContact OD2-CD 3.43Å; D360-K363 WeakPolarHBondContact OD2-CE 3.45Å; D360-K363 WeakPolarHBondContact OD2-CG 3.5Å; D360-K363 IonicContact OD2-NZ 2.81Å; K363-A365 VanDerWaalsContact C-N 3.29Å; K363-A365 PolarHBondContact O-N 3.28Å; K363-T366 PolarHBondContact O-N 2.88Å; K363-T366 VanDerWaalsContact O-N 3.14Å; K363-I367 HydrophobicContact CB-CD1 4.4Å; K363-I367 WeakPolarHBondContact O-CD1 3.38Å; K363-I367 PolarHBondContact O-N 3.13Å
364	M	85.7	Confident	87	Confident	36 Å²	36	93.1 Å²	93.1	18%	0.177	48%	0.478	C	S	.	.	H	α-helix	trans	-58.7	-40.5	177.3	-74.5	-57.7	-63.3	0	0	112.6	K350 M353 E354 D360 T368	K350-M364 HydrophobicContact CG-CE 4.42Å; M353-M364 HydrophobicContact CB-SD 4.08Å; E354-M364 HydrophobicContact CG-CE 3.35Å; E354-M364 HydrophobicContact CG-SD 4.29Å; E354-M364 WeakPolarHBondContact OE1-CE 3.46Å; D360-M364 PolarHBondContact O-N 3.43Å; M364-T368 WeakPolarHBondContact O-CB 3.38Å; M364-T368 PolarHBondContact O-N 3.38Å; M364-T368 VanDerWaalsContact O-N 3.11Å; M364-T368 PolarHBondContact O-OG1 2.81Å
365	A	89	Confident	87.5	Confident	61 Å²	61	91.7 Å²	91.7	50%	0.504	47%	0.471	S	S	.	.	H	α-helix	trans	-63.9	-45.5	173.6	0	0	0	0	0	111.9	N361 K362 K363 I367 T368 M369	N361-A365 PolarHBondContact O-N 2.87Å; K362-A365 PolarHBondContact O-N 2.9Å; K363-A365 VanDerWaalsContact C-N 3.29Å; K363-A365 PolarHBondContact O-N 3.28Å; A365-I367 PolarHBondContact O-N 3.33Å; A365-T368 PolarHBondContact O-N 3.27Å; A365-M369 PolarHBondContact O-N 3.12Å
366	T	91	Very high	88.1	Confident	66 Å²	66	88 Å²	88	41%	0.405	46%	0.455	S	S	.	.	H	α-helix	trans	-59.3	-46.3	177.4	-54.5	0	0	0	0	112.5	K362 K363 T368 M369 E370	K362-T366 PolarHBondContact O-N 3.4Å; K362-T366 VanDerWaalsContact O-N 3.09Å; K362-T366 PolarHBondContact O-OG1 2.94Å; K362-T366 VanDerWaalsContact O-OG1 3.09Å; K363-T366 PolarHBondContact O-N 2.88Å; K363-T366 VanDerWaalsContact O-N 3.14Å; T366-T368 VanDerWaalsContact C-N 3.3Å; T366-T368 PolarHBondContact O-N 3.46Å; T366-M369 PolarHBondContact O-N 3.42Å; T366-E370 WeakPolarHBondContact O-CG 3.43Å; T366-E370 PolarHBondContact O-N 3.12Å
367	I	90.6	Very high	88.7	Confident	13 Å²	13	92.4 Å²	92.4	7%	0.067	46%	0.461	C	S	.	.	H	α-helix	trans	-67	-33.2	179.1	-77.2	126.4	0	0	0	112.2	K350 M353 K363 A365 L371	K350-I367 HydrophobicContact CB-CG2 3.78Å; K350-I367 HydrophobicContact CD-CG2 4.38Å; K350-I367 HydrophobicContact CG-CG2 4.16Å; M353-I367 HydrophobicContact CE-CB 4.16Å; M353-I367 HydrophobicContact CE-CD1 3.04Å; M353-I367 HydrophobicContact CE-CG1 3.53Å; M353-I367 HydrophobicContact CE-CG2 3.9Å; M353-I367 HydrophobicContact SD-CD1 3.3Å; M353-I367 WeakPolarHBondContact SD-CD1 3.48Å; M353-I367 HydrophobicContact SD-CG1 4.38Å; K363-I367 HydrophobicContact CB-CD1 4.4Å; K363-I367 WeakPolarHBondContact O-CD1 3.38Å; K363-I367 PolarHBondContact O-N 3.13Å; A365-I367 PolarHBondContact O-N 3.33Å; I367-L371 HydrophobicContact CG2-CD1 4.2Å; I367-L371 WeakPolarHBondContact O-CB 3.41Å; I367-L371 VanDerWaalsContact O-CG 3.28Å; I367-L371 WeakPolarHBondContact O-CG 3.17Å; I367-L371 PolarHBondContact O-N 3.08Å
368	T	91.8	Very high	89.7	Confident	61 Å²	61	86.2 Å²	86.2	37%	0.374	42%	0.421	S	S	.	.	H	α-helix	trans	-67.5	-41.6	175.8	-59	0	0	0	0	111.1	K350 M364 A365 T366 L371 E372	K350-T368 PolarHBondContact NZ-OG1 3.06Å; M364-T368 WeakPolarHBondContact O-CB 3.38Å; M364-T368 PolarHBondContact O-N 3.38Å; M364-T368 VanDerWaalsContact O-N 3.11Å; M364-T368 PolarHBondContact O-OG1 2.81Å; A365-T368 PolarHBondContact O-N 3.27Å; T366-T368 VanDerWaalsContact C-N 3.3Å; T366-T368 PolarHBondContact O-N 3.46Å; T368-L371 WeakPolarHBondContact O-CB 3.5Å; T368-L371 PolarHBondContact O-N 3.07Å; T368-E372 PolarHBondContact O-N 3.21Å; T368-E372 VanDerWaalsContact O-N 3.15Å
369	M	93.7	Very high	90.9	Very high	108 Å²	108	79.4 Å²	79.4	53%	0.532	40%	0.402	S	S	.	.	H	α-helix	trans	-63.3	-45.5	173.9	-170.9	-173.7	80	0	0	112	A365 T366 L371 E372 D373	A365-M369 PolarHBondContact O-N 3.12Å; T366-M369 PolarHBondContact O-N 3.42Å; M369-L371 PolarHBondContact O-N 3.46Å; M369-E372 WeakPolarHBondContact O-CB 3.36Å; M369-E372 PolarHBondContact O-N 2.85Å; M369-D373 PolarHBondContact O-N 2.93Å; M369-D373 VanDerWaalsContact O-N 3.07Å
370	E	94.5	Very high	92.3	Very high	70 Å²	70	78.9 Å²	78.9	33%	0.327	40%	0.395	S	S	.	.	H	α-helix	trans	-63	-30.1	176.6	-71.7	174.1	169	0	0	112.9	K346 T366 L374	K346-E370 WeakPolarHBondContact CE-OE2 3.3Å; K346-E370 IonicContact NZ-OE2 3.94Å; K346-E370 PolarHBondContact NZ-OE2 3.29Å; T366-E370 WeakPolarHBondContact O-CG 3.43Å; T366-E370 PolarHBondContact O-N 3.12Å; E370-L374 WeakPolarHBondContact O-CB 3.5Å; E370-L374 VanDerWaalsContact O-CG 3.29Å; E370-L374 WeakPolarHBondContact O-CG 3.44Å; E370-L374 PolarHBondContact O-N 2.79Å; E370-L374 VanDerWaalsContact O-N 3.08Å
371	L	95	Very high	93.2	Very high	17 Å²	17	76.3 Å²	76.3	9%	0.089	38%	0.383	C	S	.	.	H	α-helix	trans	-70	-41.9	174.8	-82.6	170.4	0	0	0	112	L343 K346 R347 K350 I367 T368 M369 D373 L374 E375	L343-L371 HydrophobicContact CD1-CD2 3.85Å; K346-L371 HydrophobicContact CB-CD2 3.69Å; K346-L371 HydrophobicContact CG-CD2 3.62Å; K346-L371 HydrophobicContact CG-CG 3.95Å; R347-L371 HydrophobicContact CB-CD2 4.45Å; R347-L371 HydrophobicContact CG-CD2 3.66Å; K350-L371 HydrophobicContact CB-CD1 3.99Å; K350-L371 HydrophobicContact CD-CD1 3.36Å; K350-L371 HydrophobicContact CG-CD1 4.27Å; I367-L371 HydrophobicContact CG2-CD1 4.2Å; I367-L371 WeakPolarHBondContact O-CB 3.41Å; I367-L371 VanDerWaalsContact O-CG 3.28Å; I367-L371 WeakPolarHBondContact O-CG 3.17Å; I367-L371 PolarHBondContact O-N 3.08Å; T368-L371 WeakPolarHBondContact O-CB 3.5Å; T368-L371 PolarHBondContact O-N 3.07Å; M369-L371 PolarHBondContact O-N 3.46Å; L371-D373 VanDerWaalsContact C-N 3.34Å; L371-L374 PolarHBondContact O-N 3.35Å; L371-E375 WeakPolarHBondContact O-CB 3.43Å; L371-E375 PolarHBondContact O-N 3.02Å
372	E	95.6	Very high	93.8	Very high	121 Å²	121	74.3 Å²	74.3	57%	0.565	37%	0.37	S	S	*	.	H	α-helix	trans	-61.2	-43.6	175.2	-173.5	175.8	-175	0	0	110.8	T368 M369 L374 E375 N376	T368-E372 PolarHBondContact O-N 3.21Å; T368-E372 VanDerWaalsContact O-N 3.15Å; M369-E372 WeakPolarHBondContact O-CB 3.36Å; M369-E372 PolarHBondContact O-N 2.85Å; E372-L374 PolarHBondContact O-N 3.23Å; E372-E375 PolarHBondContact O-N 2.92Å; E372-N376 WeakPolarHBondContact O-CB 3.41Å; E372-N376 PolarHBondContact O-N 3.25Å; E372-N376 PolarHBondContact O-ND2 2.77Å; E372-N376 VanDerWaalsContact O-ND2 3.13Å
373	D	95.9	Very high	94.4	Very high	89 Å²	89	71.6 Å²	71.6	48%	0.476	36%	0.359	S	S	.	.	H	α-helix	trans	-61.2	-41	173.9	-73.4	-23.1	0	0	0	112.6	M369 L371 R377	M369-D373 PolarHBondContact O-N 2.93Å; M369-D373 VanDerWaalsContact O-N 3.07Å; L371-D373 VanDerWaalsContact C-N 3.34Å; D373-R377 WeakPolarHBondContact O-CB 3.38Å; D373-R377 WeakPolarHBondContact O-CG 3.47Å; D373-R377 PolarHBondContact O-N 3.14Å; D373-R377 VanDerWaalsContact O-N 3.07Å
374	L	96.5	Very high	95	Very high	24 Å²	24	71.4 Å²	71.4	13%	0.126	36%	0.359	C	S	.	.	H	α-helix	trans	-70.6	-36.4	177.8	-75.7	173	0	0	0	112.6	N342 L343 K346 E370 L371 E372 R377 V378	N342-L374 HydrophobicContact CB-CD2 4.29Å; L343-L374 HydrophobicContact CB-CB 4.31Å; L343-L374 HydrophobicContact CD1-CB 3.8Å; K346-L374 HydrophobicContact CB-CD1 3.66Å; K346-L374 HydrophobicContact CD-CD1 4.44Å; K346-L374 HydrophobicContact CG-CD1 3.82Å; E370-L374 WeakPolarHBondContact O-CB 3.5Å; E370-L374 VanDerWaalsContact O-CG 3.29Å; E370-L374 WeakPolarHBondContact O-CG 3.44Å; E370-L374 PolarHBondContact O-N 2.79Å; E370-L374 VanDerWaalsContact O-N 3.08Å; L371-L374 PolarHBondContact O-N 3.35Å; E372-L374 PolarHBondContact O-N 3.23Å; L374-R377 PolarHBondContact O-N 3.39Å; L374-V378 WeakPolarHBondContact O-CG2 3.47Å; L374-V378 PolarHBondContact O-N 3.26Å
375	E	97.5	Very high	95.5	Very high	82 Å²	82	70 Å²	70	38%	0.383	35%	0.351	S	S	.	.	H	α-helix	trans	-63.8	-50.1	175.2	-174	153.5	-135.1	0	0	110.4	L343 R347 L371 E372 R377 V378 D379	L343-E375 HydrophobicContact CD1-CB 4.36Å; L343-E375 HydrophobicContact CD2-CB 4.4Å; R347-E375 IonicContact NH2-OE1 3.68Å; R347-E375 PolarHBondContact NH2-OE1 2.99Å; R347-E375 IonicContact NH2-OE2 3.3Å; L371-E375 WeakPolarHBondContact O-CB 3.43Å; L371-E375 PolarHBondContact O-N 3.02Å; E372-E375 PolarHBondContact O-N 2.92Å; E375-R377 PolarHBondContact O-N 3.12Å; E375-V378 WeakPolarHBondContact O-CB 3.25Å; E375-V378 PolarHBondContact O-N 2.84Å; E375-D379 PolarHBondContact O-N 3.48Å
376	N	97.5	Very high	95.8	Very high	76 Å²	76	70.5 Å²	70.5	41%	0.406	35%	0.346	S	S	.	.	H	α-helix	trans	-55.3	-38.6	173.1	-74.8	-38.2	0	0	0	112.5	E372 Q380	E372-N376 WeakPolarHBondContact O-CB 3.41Å; E372-N376 PolarHBondContact O-N 3.25Å; E372-N376 PolarHBondContact O-ND2 2.77Å; E372-N376 VanDerWaalsContact O-ND2 3.13Å; N376-Q380 WeakPolarHBondContact O-CB 3.39Å; N376-Q380 VanDerWaalsContact O-CG 3.22Å; N376-Q380 WeakPolarHBondContact O-CG 3.25Å; N376-Q380 PolarHBondContact O-N 2.84Å
377	R	97	Very high	96.1	Very high	141 Å²	141	70 Å²	70	53%	0.532	34%	0.34	S	S	.	.	H	α-helix	trans	-68.8	-36.5	176.5	-76.2	171.3	64.1	179.1	2.2	113.2	D373 L374 E375 A381	D373-R377 WeakPolarHBondContact O-CB 3.38Å; D373-R377 WeakPolarHBondContact O-CG 3.47Å; D373-R377 PolarHBondContact O-N 3.14Å; D373-R377 VanDerWaalsContact O-N 3.07Å; L374-R377 PolarHBondContact O-N 3.39Å; E375-R377 PolarHBondContact O-N 3.12Å; R377-A381 WeakPolarHBondContact O-CB 3.37Å; R377-A381 PolarHBondContact O-N 2.91Å; R377-A381 VanDerWaalsContact O-N 3.09Å
378	V	98	Very high	96.4	Very high	10 Å²	10	69.4 Å²	69.4	6%	0.061	34%	0.337	C	S	.	.	H	α-helix	trans	-65.2	-48.5	174.9	168.5	0	0	0	0	109.8	A339 E340 L343 L374 E375 Q380 A381 Q382	A339-V378 VanDerWaalsContact C-CG2 3.42Å; A339-V378 HydrophobicContact CB-CG2 3.79Å; A339-V378 WeakPolarHBondContact O-CG2 3.48Å; E340-V378 HydrophobicContact CG-CG1 3.82Å; E340-V378 HydrophobicContact CG-CG2 4.33Å; L343-V378 HydrophobicContact CB-CG2 4Å; L343-V378 HydrophobicContact CD2-CB 4.29Å; L343-V378 HydrophobicContact CD2-CG2 3.84Å; L374-V378 WeakPolarHBondContact O-CG2 3.47Å; L374-V378 PolarHBondContact O-N 3.26Å; E375-V378 WeakPolarHBondContact O-CB 3.25Å; E375-V378 PolarHBondContact O-N 2.84Å; V378-Q380 VanDerWaalsContact C-N 3.35Å; V378-Q380 PolarHBondContact O-N 3.23Å; V378-A381 PolarHBondContact O-N 3.42Å; V378-A381 VanDerWaalsContact O-N 3.12Å; V378-Q382 WeakPolarHBondContact O-CB 3.44Å; V378-Q382 PolarHBondContact O-N 3.3Å
379	D	97.8	Very high	96.6	Very high	83 Å²	83	67 Å²	67	44%	0.444	32%	0.323	S	S	.	.	H	α-helix	trans	-59.9	-44.9	-179.5	-68.1	-13	0	0	0	111.5	E375 A381 Q382 H383	E375-D379 PolarHBondContact O-N 3.48Å; D379-A381 PolarHBondContact O-N 3.16Å; D379-Q382 PolarHBondContact O-N 3.38Å; D379-H383 WeakPolarHBondContact O-CB 3.42Å; D379-H383 PolarHBondContact O-N 2.93Å
380	Q	97.6	Very high	96.7	Very high	121 Å²	121	66.1 Å²	66.1	57%	0.565	32%	0.32	S	S	*	.	H	α-helix	trans	-62	-41.8	175.3	-73.2	173.4	17.7	0	0	112.6	N376 V378 K384	N376-Q380 WeakPolarHBondContact O-CB 3.39Å; N376-Q380 VanDerWaalsContact O-CG 3.22Å; N376-Q380 WeakPolarHBondContact O-CG 3.25Å; N376-Q380 PolarHBondContact O-N 2.84Å; V378-Q380 VanDerWaalsContact C-N 3.35Å; V378-Q380 PolarHBondContact O-N 3.23Å; Q380-K384 WeakPolarHBondContact O-CG 3.17Å; Q380-K384 PolarHBondContact O-N 3.26Å
381	A	97.4	Very high	96.9	Very high	11 Å²	11	65.1 Å²	65.1	9%	0.091	32%	0.316	C	S	.	.	H	α-helix	trans	-70.3	-38.1	-179.8	0	0	0	0	0	111.9	W336 R377 V378 D379 K384 F385	W336-A381 HydrophobicContact CB-CB 3.85Å; W336-A381 HydrophobicContact CG-CB 4.31Å; R377-A381 WeakPolarHBondContact O-CB 3.37Å; R377-A381 PolarHBondContact O-N 2.91Å; R377-A381 VanDerWaalsContact O-N 3.09Å; V378-A381 PolarHBondContact O-N 3.42Å; V378-A381 VanDerWaalsContact O-N 3.12Å; D379-A381 PolarHBondContact O-N 3.16Å; A381-K384 PolarHBondContact O-N 3Å; A381-F385 PolarHBondContact O-N 2.93Å
382	Q	97.3	Very high	96.9	Very high	72 Å²	72	64.3 Å²	64.3	34%	0.336	31%	0.312	S	S	.	.	H	α-helix	trans	-63.4	-47.9	173.9	-173.7	176	20.3	0	0	111.1	W336 V378 D379 K384 F385 N386	W336-Q382 HydrophobicContact CD2-CB 4.23Å; W336-Q382 HydrophobicContact CD2-CG 4.4Å; W336-Q382 HydrophobicContact CG-CB 4.42Å; W336-Q382 HydrophobicContact CH2-CG 4.14Å; W336-Q382 HydrophobicContact CZ2-CB 4.13Å; W336-Q382 HydrophobicContact CZ2-CG 3.59Å; V378-Q382 WeakPolarHBondContact O-CB 3.44Å; V378-Q382 PolarHBondContact O-N 3.3Å; D379-Q382 PolarHBondContact O-N 3.38Å; Q382-K384 VanDerWaalsContact C-N 3.32Å; Q382-K384 PolarHBondContact O-N 2.81Å; Q382-F385 PolarHBondContact O-N 3.38Å; Q382-F385 VanDerWaalsContact O-N 3.13Å; Q382-N386 VanDerWaalsContact O-CG 3.31Å; Q382-N386 PolarHBondContact O-N 3.36Å
383	H	97.6	Very high	96.9	Very high	115 Å²	115	61.7 Å²	61.7	53%	0.532	30%	0.299	S	S	.	.	H	α-helix	trans	-58.7	-44.1	177.3	-179.4	-91.6	0	0	0	111.6	D379 F385 N386 N387	D379-H383 WeakPolarHBondContact O-CB 3.42Å; D379-H383 PolarHBondContact O-N 2.93Å; H383-F385 PolarHBondContact O-N 3.45Å; H383-N386 PolarHBondContact O-N 3.37Å; H383-N387 PolarHBondContact CE1-ND2 3.02Å; H383-N387 PolarHBondContact ND1-ND2 3.1Å; H383-N387 WeakPolarHBondContact O-CB 3.32Å; H383-N387 VanDerWaalsContact O-CG 3.24Å; H383-N387 PolarHBondContact O-N 2.94Å; H383-N387 PolarHBondContact O-OD1 3.42Å
384	K	97.4	Very high	96.9	Very high	123 Å²	123	63.2 Å²	63.2	54%	0.535	30%	0.301	S	S	.	.	H	α-helix	trans	-59.3	-44.6	173.8	-75.5	179.1	179.8	-174	0	112.4	I332 Q380 A381 Q382 N387 I388	I332-K384 HydrophobicContact CG2-CB 4.12Å; Q380-K384 WeakPolarHBondContact O-CG 3.17Å; Q380-K384 PolarHBondContact O-N 3.26Å; A381-K384 PolarHBondContact O-N 3Å; Q382-K384 VanDerWaalsContact C-N 3.32Å; Q382-K384 PolarHBondContact O-N 2.81Å; K384-N387 PolarHBondContact O-N 2.93Å; K384-I388 WeakPolarHBondContact O-CG2 3.34Å; K384-I388 PolarHBondContact O-N 2.81Å
385	F	96.7	Very high	96.8	Very high	6 Å²	6	63 Å²	63	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-64.1	-41.5	178.3	177.5	-108.1	0	0	0	112.9	R329 I332 Y333 W336 A381 Q382 H383 I388 S389	R329-F385 HydrophobicContact CG-CD2 4.43Å; R329-F385 HydrophobicContact CG-CE2 3.9Å; I332-F385 HydrophobicContact CG2-CB 4.03Å; Y333-F385 HydrophobicContact CD2-CD2 4.2Å; Y333-F385 HydrophobicContact CD2-CE1 4.04Å; Y333-F385 AromaticContact CD2-CE2 3.71Å; Y333-F385 HydrophobicContact CD2-CE2 3.71Å; Y333-F385 AromaticContact CD2-CZ 3.58Å; Y333-F385 HydrophobicContact CD2-CZ 3.58Å; Y333-F385 HydrophobicContact CE2-CZ 4.36Å; Y333-F385 HydrophobicContact CG-CE2 4.05Å; Y333-F385 HydrophobicContact CG-CZ 4.32Å; W336-F385 HydrophobicContact CE3-CB 4.03Å; W336-F385 AromaticContact CE3-CD1 3.52Å; W336-F385 HydrophobicContact CE3-CD1 3.52Å; W336-F385 HydrophobicContact CE3-CE1 4.13Å; W336-F385 AromaticContact CE3-CG 3.84Å; W336-F385 HydrophobicContact CE3-CG 3.84Å; W336-F385 HydrophobicContact CH2-CD1 4.49Å; W336-F385 AromaticContact CZ3-CD1 3.39Å; W336-F385 HydrophobicContact CZ3-CD1 3.39Å; W336-F385 AromaticContact CZ3-CE1 3.7Å; W336-F385 HydrophobicContact CZ3-CE1 3.7Å; W336-F385 HydrophobicContact CZ3-CG 4.19Å; A381-F385 PolarHBondContact O-N 2.93Å; Q382-F385 PolarHBondContact O-N 3.38Å; Q382-F385 VanDerWaalsContact O-N 3.13Å; H383-F385 PolarHBondContact O-N 3.45Å; F385-I388 VanDerWaalsContact O-CG2 3.23Å; F385-I388 WeakPolarHBondContact O-CG2 3.4Å; F385-S389 VanDerWaalsContact O-CB 3.32Å; F385-S389 WeakPolarHBondContact O-CB 3.34Å; F385-S389 PolarHBondContact O-N 2.89Å; F385-S389 VanDerWaalsContact O-N 3.09Å; F385-S389 PolarHBondContact O-OG 3.16Å
386	N	95.9	Very high	96.7	Very high	72 Å²	72	59.3 Å²	59.3	39%	0.385	28%	0.282	S	S	.	.	H	α-helix	trans	-64.4	-45.1	177	-69.8	-12.9	0	0	0	110.8	Q382 H383 S389 I390	Q382-N386 VanDerWaalsContact O-CG 3.31Å; Q382-N386 PolarHBondContact O-N 3.36Å; H383-N386 PolarHBondContact O-N 3.37Å; N386-S389 PolarHBondContact O-N 3.38Å; N386-I390 WeakPolarHBondContact O-CG1 3.44Å; N386-I390 PolarHBondContact O-N 3.42Å
387	N	96.9	Very high	96.4	Very high	54 Å²	54	61.4 Å²	61.4	29%	0.289	29%	0.29	S	S	.	.	H	α-helix	trans	-62.7	-50.8	179.5	-73.9	-3.1	0	0	0	112.6	H383 K384 S389 I390 N391	H383-N387 PolarHBondContact CE1-ND2 3.02Å; H383-N387 PolarHBondContact ND1-ND2 3.1Å; H383-N387 WeakPolarHBondContact O-CB 3.32Å; H383-N387 VanDerWaalsContact O-CG 3.24Å; H383-N387 PolarHBondContact O-N 2.94Å; H383-N387 PolarHBondContact O-OD1 3.42Å; K384-N387 PolarHBondContact O-N 2.93Å; N387-S389 PolarHBondContact O-N 3.21Å; N387-I390 PolarHBondContact O-N 3.03Å; N387-N391 WeakPolarHBondContact O-CB 3.45Å; N387-N391 PolarHBondContact O-N 3.45Å
388	I	97.1	Very high	96.1	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-38.4	178.2	-171.5	168.9	0	0	0	111.1	E328 R329 I332 K384 F385 N391 I392	E328-I388 HydrophobicContact CB-CD1 4.11Å; E328-I388 HydrophobicContact CG-CD1 3.72Å; R329-I388 HydrophobicContact CB-CD1 4.23Å; R329-I388 HydrophobicContact CB-CG1 4.49Å; R329-I388 HydrophobicContact CG-CG2 4.29Å; I332-I388 HydrophobicContact CD1-CB 4.37Å; I332-I388 HydrophobicContact CD1-CD1 3.69Å; I332-I388 HydrophobicContact CD1-CG2 4.2Å; I332-I388 HydrophobicContact CG2-CG2 4.47Å; K384-I388 WeakPolarHBondContact O-CG2 3.34Å; K384-I388 PolarHBondContact O-N 2.81Å; F385-I388 VanDerWaalsContact O-CG2 3.23Å; F385-I388 WeakPolarHBondContact O-CG2 3.4Å; I388-N391 PolarHBondContact O-N 3.03Å; I388-I392 HydrophobicContact CD1-CD1 4.2Å; I388-I392 HydrophobicContact CG1-CD1 3.71Å; I388-I392 HydrophobicContact CG1-CG1 4.14Å; I388-I392 WeakPolarHBondContact O-CB 3.38Å; I388-I392 VanDerWaalsContact O-CG1 3.24Å; I388-I392 WeakPolarHBondContact O-CG1 3.25Å; I388-I392 PolarHBondContact O-N 3.37Å
389	S	96.1	Very high	95.7	Very high	12 Å²	12	56.5 Å²	56.5	8%	0.084	27%	0.273	C	S	.	.	H	α-helix	trans	-64.5	-42.5	178.5	-62.2	0	0	0	0	112.3	F225 R329 F385 N386 N387 K393	F225-S389 WeakPolarHBondContact CZ-O 3.35Å; R329-S389 PolarHBondContact NE-OG 2.85Å; R329-S389 PolarHBondContact NH2-OG 2.91Å; F385-S389 VanDerWaalsContact O-CB 3.32Å; F385-S389 WeakPolarHBondContact O-CB 3.34Å; F385-S389 PolarHBondContact O-N 2.89Å; F385-S389 VanDerWaalsContact O-N 3.09Å; F385-S389 PolarHBondContact O-OG 3.16Å; N386-S389 PolarHBondContact O-N 3.38Å; N387-S389 PolarHBondContact O-N 3.21Å; S389-K393 WeakPolarHBondContact O-CG 3.32Å; S389-K393 PolarHBondContact O-N 3.35Å
390	I	95.9	Very high	95.2	Very high	89 Å²	89	55 Å²	55	46%	0.456	26%	0.264	S	S	.	.	H	α-helix	trans	-66.5	-43.9	176.7	-69.4	165.8	0	0	0	110.6	N386 N387 K393 K394	N386-I390 WeakPolarHBondContact O-CG1 3.44Å; N386-I390 PolarHBondContact O-N 3.42Å; N387-I390 PolarHBondContact O-N 3.03Å; I390-K393 PolarHBondContact O-N 3.37Å; I390-K394 HydrophobicContact CG2-CD 4.48Å; I390-K394 PolarHBondContact O-N 3.3Å
391	N	97.3	Very high	94.6	Very high	48 Å²	48	54.7 Å²	54.7	26%	0.257	27%	0.266	S	S	.	.	H	α-helix	trans	-66	-45.4	-178.5	-71.5	-11.7	0	0	0	111.5	E114 N387 I388 K393 K394 E395	E114-N391 WeakPolarHBondContact O-CB 3.46Å; E114-N391 PolarHBondContact O-ND2 3.14Å; N387-N391 WeakPolarHBondContact O-CB 3.45Å; N387-N391 PolarHBondContact O-N 3.45Å; I388-N391 PolarHBondContact O-N 3.03Å; N391-K393 VanDerWaalsContact C-N 3.25Å; N391-K393 PolarHBondContact O-N 3.46Å; N391-K394 WeakPolarHBondContact O-CB 3.37Å; N391-K394 PolarHBondContact O-N 3.02Å; N391-E395 WeakPolarHBondContact O-CB 3.48Å; N391-E395 VanDerWaalsContact O-CG 3.31Å; N391-E395 WeakPolarHBondContact O-CG 3.21Å; N391-E395 PolarHBondContact O-N 3.36Å
392	I	96.6	Very high	94.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.1	-40.4	176.3	-71	172.1	0	0	0	111.2	F225 V325 L326 R329 I388 K394 E395 F396	F225-I392 HydrophobicContact CD1-CG2 4.24Å; F225-I392 HydrophobicContact CE1-CB 4.1Å; F225-I392 HydrophobicContact CE1-CG2 3.71Å; V325-I392 HydrophobicContact CB-CD1 4.08Å; V325-I392 HydrophobicContact CB-CG1 4.11Å; V325-I392 HydrophobicContact CG2-CD1 4.36Å; V325-I392 HydrophobicContact CG2-CG1 4.21Å; V325-I392 VanDerWaalsContact O-CD1 3.3Å; V325-I392 WeakPolarHBondContact O-CD1 3.49Å; L326-I392 HydrophobicContact CD2-CG2 4.17Å; R329-I392 HydrophobicContact CB-CD1 3.72Å; R329-I392 HydrophobicContact CG-CD1 4.34Å; I388-I392 HydrophobicContact CD1-CD1 4.2Å; I388-I392 HydrophobicContact CG1-CD1 3.71Å; I388-I392 HydrophobicContact CG1-CG1 4.14Å; I388-I392 WeakPolarHBondContact O-CB 3.38Å; I388-I392 VanDerWaalsContact O-CG1 3.24Å; I388-I392 WeakPolarHBondContact O-CG1 3.25Å; I388-I392 PolarHBondContact O-N 3.37Å; I392-K394 VanDerWaalsContact C-N 3.35Å; I392-K394 PolarHBondContact O-N 3.45Å; I392-E395 PolarHBondContact O-N 2.81Å; I392-F396 HydrophobicContact CG2-CD2 3.61Å; I392-F396 HydrophobicContact CG2-CE2 3.55Å; I392-F396 HydrophobicContact CG2-CZ 4.46Å; I392-F396 WeakPolarHBondContact O-CB 3.29Å; I392-F396 WeakPolarHBondContact O-CD2 3.45Å; I392-F396 PolarHBondContact O-N 3.02Å
393	K	95.5	Very high	93.6	Very high	67 Å²	67	56.5 Å²	56.5	29%	0.291	27%	0.269	S	S	.	.	H	α-helix	trans	-59.8	-44.6	176.4	-75.2	176.4	176.8	-176.2	0	112	F224 F225 S389 I390 N391 Q397	F224-K393 HydrophobicContact CD1-CG 3.94Å; F224-K393 HydrophobicContact CE1-CB 4.44Å; F224-K393 HydrophobicContact CE1-CG 3.57Å; F224-K393 HydrophobicContact CZ-CG 4.05Å; F225-K393 HydrophobicContact CE1-CG 4.34Å; F225-K393 HydrophobicContact CZ-CD 4.35Å; F225-K393 HydrophobicContact CZ-CG 4.02Å; S389-K393 WeakPolarHBondContact O-CG 3.32Å; S389-K393 PolarHBondContact O-N 3.35Å; I390-K393 PolarHBondContact O-N 3.37Å; N391-K393 VanDerWaalsContact C-N 3.25Å; N391-K393 PolarHBondContact O-N 3.46Å; K393-Q397 WeakPolarHBondContact O-CG 3.47Å; K393-Q397 PolarHBondContact O-N 2.99Å
394	K	94.9	Very high	93.1	Very high	121 Å²	121	58 Å²	58	53%	0.526	27%	0.274	S	S	.	.	H	α-helix	trans	-65.1	-42.3	176.4	-65.7	174.1	-178.2	174.3	0	111.7	I390 N391 I392 F396 Q397 N398	I390-K394 HydrophobicContact CG2-CD 4.48Å; I390-K394 PolarHBondContact O-N 3.3Å; N391-K394 WeakPolarHBondContact O-CB 3.37Å; N391-K394 PolarHBondContact O-N 3.02Å; I392-K394 VanDerWaalsContact C-N 3.35Å; I392-K394 PolarHBondContact O-N 3.45Å; K394-F396 PolarHBondContact O-N 3.22Å; K394-Q397 WeakPolarHBondContact O-CB 3.35Å; K394-Q397 PolarHBondContact O-N 2.93Å; K394-N398 WeakPolarHBondContact O-CB 3.49Å; K394-N398 PolarHBondContact O-N 3.44Å
395	E	95.9	Very high	92.5	Very high	19 Å²	19	53.8 Å²	53.8	9%	0.089	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-41.4	179.6	-73.4	-66.2	115.2	0	0	112.3	G115 I117 H162 N391 I392 N398 F399	G115-E395 WeakPolarHBondContact O-CG 3.22Å; I117-E395 HydrophobicContact CD1-CB 3.79Å; I117-E395 HydrophobicContact CG1-CB 3.98Å; I117-E395 PolarHBondContact N-OE2 2.86Å; H162-E395 IonicContact CD2-OE2 2.65Å; H162-E395 IonicContact CE1-OE1 3.36Å; H162-E395 IonicContact NE2-OE1 3.63Å; H162-E395 PolarHBondContact NE2-OE1 2.82Å; H162-E395 IonicContact NE2-OE2 3.86Å; H162-E395 PolarHBondContact NE2-OE2 3.49Å; H162-E395 VanDerWaalsContact NE2-OE2 3.07Å; N391-E395 WeakPolarHBondContact O-CB 3.48Å; N391-E395 VanDerWaalsContact O-CG 3.31Å; N391-E395 WeakPolarHBondContact O-CG 3.21Å; N391-E395 PolarHBondContact O-N 3.36Å; I392-E395 PolarHBondContact O-N 2.81Å; E395-N398 PolarHBondContact O-N 2.97Å; E395-F399 VanDerWaalsContact O-CB 3.26Å; E395-F399 WeakPolarHBondContact O-CB 3.44Å; E395-F399 PolarHBondContact O-N 3.31Å
396	F	94.7	Very high	92.1	Very high	4 Å²	4	54 Å²	54	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-66.7	-37.5	176.2	-86.9	-118.2	0	0	0	111.9	I117 F224 K228 L232 C322 V325 L326 I392 K394 F399 D400	I117-F396 HydrophobicContact CD1-CD2 3.96Å; I117-F396 HydrophobicContact CD1-CE2 4.04Å; F224-F396 HydrophobicContact CZ-CB 4.44Å; K228-F396 HydrophobicContact CB-CD1 4.01Å; K228-F396 HydrophobicContact CB-CE1 3.74Å; K228-F396 HydrophobicContact CD-CD1 3.75Å; K228-F396 HydrophobicContact CD-CE1 4.2Å; K228-F396 HydrophobicContact CG-CD1 3.74Å; K228-F396 HydrophobicContact CG-CE1 4.03Å; L232-F396 HydrophobicContact CD1-CE1 3.76Å; L232-F396 HydrophobicContact CD1-CZ 3.78Å; L232-F396 HydrophobicContact CG-CE1 4.39Å; C322-F396 HydrophobicContact CB-CE2 4.39Å; C322-F396 HydrophobicContact CB-CZ 3.96Å; V325-F396 HydrophobicContact CG2-CE2 3.97Å; L326-F396 HydrophobicContact CD1-CZ 3.99Å; L326-F396 HydrophobicContact CD2-CZ 4.25Å; L326-F396 HydrophobicContact CG-CZ 4.04Å; I392-F396 HydrophobicContact CG2-CD2 3.61Å; I392-F396 HydrophobicContact CG2-CE2 3.55Å; I392-F396 HydrophobicContact CG2-CZ 4.46Å; I392-F396 WeakPolarHBondContact O-CB 3.29Å; I392-F396 WeakPolarHBondContact O-CD2 3.45Å; I392-F396 PolarHBondContact O-N 3.02Å; K394-F396 PolarHBondContact O-N 3.22Å; F396-F399 PolarHBondContact O-N 3.07Å; F396-D400 WeakPolarHBondContact O-CB 3.29Å; F396-D400 VanDerWaalsContact O-CG 3.31Å; F396-D400 PolarHBondContact O-N 3.26Å
397	Q	91.8	Very high	91.8	Very high	121 Å²	121	55.7 Å²	55.7	57%	0.565	27%	0.267	S	S	*	.	H	α-helix	trans	-62.3	-47.4	172.2	-70.9	171.4	-11.6	0	0	111.2	K393 K394 F399 D400 L401	K393-Q397 WeakPolarHBondContact O-CG 3.47Å; K393-Q397 PolarHBondContact O-N 2.99Å; K394-Q397 WeakPolarHBondContact O-CB 3.35Å; K394-Q397 PolarHBondContact O-N 2.93Å; Q397-F399 VanDerWaalsContact C-N 3.32Å; Q397-F399 PolarHBondContact O-N 3.07Å; Q397-D400 PolarHBondContact O-N 3.05Å; Q397-L401 WeakPolarHBondContact O-CB 3.5Å; Q397-L401 VanDerWaalsContact O-CG 3.26Å; Q397-L401 WeakPolarHBondContact O-CG 3.48Å; Q397-L401 PolarHBondContact O-N 2.64Å
398	N	89.2	Confident	91.4	Very high	23 Å²	23	59.2 Å²	59.2	12%	0.123	28%	0.28	C	S	.	.	H	α-helix	trans	-61.4	-41.2	177.1	-175.1	48.3	0	0	0	111.8	K394 E395 N402	K394-N398 WeakPolarHBondContact O-CB 3.49Å; K394-N398 PolarHBondContact O-N 3.44Å; E395-N398 PolarHBondContact O-N 2.97Å; N398-N402 WeakPolarHBondContact O-CB 3.42Å; N398-N402 PolarHBondContact O-N 2.81Å; N398-N402 PolarHBondContact O-ND2 2.82Å; N398-N402 PolarHBondContact OD1-ND2 2.98Å
399	F	90.2	Very high	91	Very high	24 Å²	24	60.6 Å²	60.6	11%	0.105	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-47.8	176.1	178.8	-112	0	0	0	111.9	I117 W235 M318 E395 F396 Q397 L401 N402 R403	I117-F399 HydrophobicContact CD1-CB 4.41Å; W235-F399 HydrophobicContact CE3-CE1 4.43Å; W235-F399 HydrophobicContact CH2-CE1 4.44Å; W235-F399 HydrophobicContact CZ3-CD1 4.48Å; W235-F399 AromaticContact CZ3-CE1 3.62Å; W235-F399 HydrophobicContact CZ3-CE1 3.62Å; W235-F399 HydrophobicContact CZ3-CZ 4.31Å; M318-F399 HydrophobicContact CB-CE2 3.98Å; M318-F399 HydrophobicContact CB-CZ 4.34Å; M318-F399 HydrophobicContact CE-CD2 3.68Å; M318-F399 HydrophobicContact CE-CE2 3.53Å; E395-F399 VanDerWaalsContact O-CB 3.26Å; E395-F399 WeakPolarHBondContact O-CB 3.44Å; E395-F399 PolarHBondContact O-N 3.31Å; F396-F399 PolarHBondContact O-N 3.07Å; Q397-F399 VanDerWaalsContact C-N 3.32Å; Q397-F399 PolarHBondContact O-N 3.07Å; F399-L401 PolarHBondContact O-N 3.29Å; F399-N402 PolarHBondContact O-N 3.26Å; F399-R403 VanDerWaalsContact O-CB 3.31Å; F399-R403 WeakPolarHBondContact O-CB 3.48Å; F399-R403 PolarHBondContact O-N 3.09Å
400	D	87.8	Confident	90.6	Very high	51 Å²	51	60.1 Å²	60.1	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-62.1	-41.9	179.2	-78	-25.1	0	0	0	111.8	K228 F396 Q397	K228-D400 IonicContact NZ-OD1 2.67Å; K228-D400 IonicContact NZ-OD2 3.6Å; K228-D400 PolarHBondContact NZ-OD2 2.81Å; F396-D400 WeakPolarHBondContact O-CB 3.29Å; F396-D400 VanDerWaalsContact O-CG 3.31Å; F396-D400 PolarHBondContact O-N 3.26Å; Q397-D400 PolarHBondContact O-N 3.05Å
401	L	85.1	Confident	90.2	Very high	116 Å²	116	57.9 Å²	57.9	61%	0.607	27%	0.274	S	S	*	.	H	α-helix	trans	-64.4	-47.4	177.8	-73	171.3	0	0	0	112.4	Q397 F399	Q397-L401 WeakPolarHBondContact O-CB 3.5Å; Q397-L401 VanDerWaalsContact O-CG 3.26Å; Q397-L401 WeakPolarHBondContact O-CG 3.48Å; Q397-L401 PolarHBondContact O-N 2.64Å; F399-L401 PolarHBondContact O-N 3.29Å
402	N	87.1	Confident	89.8	Confident	15 Å²	15	58.4 Å²	58.4	8%	0.08	28%	0.278	C	S	.	.	H	α-helix	trans	-80.4	-22.2	-173.9	-68.1	-48	0	0	0	113.4	N398 F399 F404 A405 Y406	N398-N402 WeakPolarHBondContact O-CB 3.42Å; N398-N402 PolarHBondContact O-N 2.81Å; N398-N402 PolarHBondContact O-ND2 2.82Å; N398-N402 PolarHBondContact OD1-ND2 2.98Å; F399-N402 PolarHBondContact O-N 3.26Å; N402-F404 VanDerWaalsContact C-N 3.3Å; N402-F404 PolarHBondContact O-N 3.37Å; N402-A405 PolarHBondContact O-N 3.41Å; N402-A405 VanDerWaalsContact O-N 3.07Å; N402-Y406 HydrophobicContact CB-CD2 3.97Å; N402-Y406 HydrophobicContact CB-CE2 3.62Å; N402-Y406 WeakPolarHBondContact O-CD2 3.07Å; N402-Y406 PolarHBondContact O-N 2.83Å
403	R	86.7	Confident	89.4	Confident	105 Å²	105	58.7 Å²	58.7	40%	0.396	28%	0.28	S	S	.	.	H	α-helix	trans	-52.4	-46.2	-177.5	-179.1	178.6	61.7	154.4	-3.1	112.7	F399 Y406 F407	F399-R403 VanDerWaalsContact O-CB 3.31Å; F399-R403 WeakPolarHBondContact O-CB 3.48Å; F399-R403 PolarHBondContact O-N 3.09Å; R403-Y406 PolarHBondContact O-N 2.6Å; R403-F407 WeakPolarHBondContact O-CB 3.32Å; R403-F407 PolarHBondContact O-N 2.98Å
404	F	85.7	Confident	89.1	Confident	147 Å²	147	57 Å²	57	65%	0.645	27%	0.272	S	S	*	.	H	α-helix	trans	-66.9	-39.1	179.9	-177.5	-101.4	0	0	0	112.1	N402 F407 K408	N402-F404 VanDerWaalsContact C-N 3.3Å; N402-F404 PolarHBondContact O-N 3.37Å; F404-F407 PolarHBondContact O-N 3.39Å; F404-K408 WeakPolarHBondContact O-CB 3.47Å; F404-K408 PolarHBondContact O-N 3.01Å
405	A	86.2	Confident	89	Confident	34 Å²	34	55.7 Å²	55.7	28%	0.281	27%	0.27	S	S	.	.	H	α-helix	trans	-63.5	-44.6	178.5	0	0	0	0	0	111.5	I40 N402 K408 Q409	I40-A405 HydrophobicContact CD1-CB 3.59Å; I40-A405 HydrophobicContact CG1-CB 4.29Å; I40-A405 HydrophobicContact CG2-CB 4.12Å; N402-A405 PolarHBondContact O-N 3.41Å; N402-A405 VanDerWaalsContact O-N 3.07Å; A405-K408 PolarHBondContact O-N 3.21Å; A405-Q409 WeakPolarHBondContact O-CB 3.49Å; A405-Q409 PolarHBondContact O-N 3.22Å
406	Y	88.2	Confident	88.7	Confident	12 Å²	12	58.9 Å²	58.9	5%	0.047	29%	0.285	C	S	.	.	H	α-helix	trans	-64.5	-41.2	174.6	-70.8	-60.5	0	0	0	113	I40 R158 S161 Y311 N402 R403 Q409 A410	I40-Y406 HydrophobicContact CD1-CD1 3.54Å; I40-Y406 HydrophobicContact CD1-CE1 3.61Å; I40-Y406 HydrophobicContact CD1-CG 4.03Å; I40-Y406 HydrophobicContact CG1-CE1 4.48Å; R158-Y406 HydrophobicContact CG-CE1 4.06Å; R158-Y406 HydrophobicContact CG-CE2 4.41Å; S161-Y406 WeakPolarHBondContact CB-OH 3.4Å; S161-Y406 PolarHBondContact OG-OH 2.74Å; Y311-Y406 PolarHBondContact OH-O 3.36Å; N402-Y406 HydrophobicContact CB-CD2 3.97Å; N402-Y406 HydrophobicContact CB-CE2 3.62Å; N402-Y406 WeakPolarHBondContact O-CD2 3.07Å; N402-Y406 PolarHBondContact O-N 2.83Å; R403-Y406 PolarHBondContact O-N 2.6Å; Y406-Q409 PolarHBondContact O-N 2.87Å; Y406-A410 WeakPolarHBondContact O-CB 3.37Å; Y406-A410 PolarHBondContact O-N 3.22Å
407	F	89.1	Confident	88.5	Confident	106 Å²	106	58.7 Å²	58.7	47%	0.465	28%	0.284	S	S	.	.	H	α-helix	trans	-62.4	-45.9	177.6	177.1	-99.4	0	0	0	111.3	Y311 R403 F404 A410 T411	Y311-F407 HydrophobicContact CE1-CD2 4.15Å; Y311-F407 WeakPolarHBondContact OH-CA 3.49Å; Y311-F407 PolarHBondContact OH-N 2.81Å; R403-F407 WeakPolarHBondContact O-CB 3.32Å; R403-F407 PolarHBondContact O-N 2.98Å; F404-F407 PolarHBondContact O-N 3.39Å; F407-A410 PolarHBondContact O-N 3.25Å; F407-T411 VanDerWaalsContact O-CB 3.3Å; F407-T411 WeakPolarHBondContact O-CB 3.5Å; F407-T411 PolarHBondContact O-N 3.33Å; F407-T411 PolarHBondContact O-OG1 3Å
408	K	89.2	Confident	88.5	Confident	128 Å²	128	54.8 Å²	54.8	56%	0.557	27%	0.267	S	S	*	.	H	α-helix	trans	-58.4	-50.3	175.9	-176.5	-178.5	177.6	-176.1	0	110.9	F404 A405 T411 T412	F404-K408 WeakPolarHBondContact O-CB 3.47Å; F404-K408 PolarHBondContact O-N 3.01Å; A405-K408 PolarHBondContact O-N 3.21Å; K408-T411 PolarHBondContact O-N 2.88Å; K408-T412 WeakPolarHBondContact O-CB 3.47Å; K408-T412 PolarHBondContact O-N 3.22Å; K408-T412 PolarHBondContact O-OG1 2.99Å; K408-T412 VanDerWaalsContact O-OG1 3.08Å
409	Q	87	Confident	88.8	Confident	30 Å²	30	58.8 Å²	58.8	14%	0.14	29%	0.288	C	S	.	.	H	α-helix	trans	-58.5	-51.5	179.4	-177.7	177.8	32.8	0	0	111.8	I38 A405 Y406 T411 T412 E413	I38-Q409 PolarHBondContact O-NE2 3.45Å; A405-Q409 WeakPolarHBondContact O-CB 3.49Å; A405-Q409 PolarHBondContact O-N 3.22Å; Y406-Q409 PolarHBondContact O-N 2.87Å; Q409-T411 VanDerWaalsContact C-N 3.3Å; Q409-T411 PolarHBondContact O-N 3.28Å; Q409-T412 PolarHBondContact O-N 3.24Å; Q409-E413 WeakPolarHBondContact CG-OE1 3.39Å; Q409-E413 VanDerWaalsContact O-CG 3.27Å; Q409-E413 WeakPolarHBondContact O-CG 3.2Å; Q409-E413 PolarHBondContact O-N 2.99Å
410	A	87.8	Confident	88.9	Confident	3 Å²	3	60.6 Å²	60.6	3%	0.025	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-38.1	-179.8	0	0	0	0	0	112.6	Y311 Y406 F407 Y414	Y311-A410 HydrophobicContact CD1-CB 4.16Å; Y311-A410 HydrophobicContact CD2-CB 3.9Å; Y311-A410 HydrophobicContact CE1-CB 4Å; Y311-A410 HydrophobicContact CE2-CB 3.72Å; Y311-A410 HydrophobicContact CG-CB 4.11Å; Y406-A410 WeakPolarHBondContact O-CB 3.37Å; Y406-A410 PolarHBondContact O-N 3.22Å; F407-A410 PolarHBondContact O-N 3.25Å; A410-Y414 WeakPolarHBondContact O-CB 3.3Å; A410-Y414 PolarHBondContact O-N 3.42Å; A410-Y414 VanDerWaalsContact O-N 3.09Å
411	T	88.9	Confident	89.2	Confident	42 Å²	42	58.1 Å²	58.1	26%	0.258	28%	0.284	S	S	.	.	H	α-helix	trans	-70.7	-41.9	178.7	-54.2	0	0	0	0	111.4	F407 K408 Q409 Y414 L415	F407-T411 VanDerWaalsContact O-CB 3.3Å; F407-T411 WeakPolarHBondContact O-CB 3.5Å; F407-T411 PolarHBondContact O-N 3.33Å; F407-T411 PolarHBondContact O-OG1 3Å; K408-T411 PolarHBondContact O-N 2.88Å; Q409-T411 VanDerWaalsContact C-N 3.3Å; Q409-T411 PolarHBondContact O-N 3.28Å; T411-Y414 PolarHBondContact O-N 2.95Å; T411-L415 HydrophobicContact CG2-CD1 3.87Å; T411-L415 HydrophobicContact CG2-CG 4.24Å; T411-L415 WeakPolarHBondContact O-CB 3.49Å; T411-L415 VanDerWaalsContact O-CG 3.26Å; T411-L415 WeakPolarHBondContact O-CG 3.35Å; T411-L415 PolarHBondContact O-N 2.7Å
412	T	89	Confident	89.7	Confident	58 Å²	58	56.1 Å²	56.1	36%	0.356	27%	0.271	S	S	.	.	H	α-helix	trans	-60.8	-49.7	175.3	-65.5	0	0	0	0	111	K408 Q409 Y414 L415 E416	K408-T412 WeakPolarHBondContact O-CB 3.47Å; K408-T412 PolarHBondContact O-N 3.22Å; K408-T412 PolarHBondContact O-OG1 2.99Å; K408-T412 VanDerWaalsContact O-OG1 3.08Å; Q409-T412 PolarHBondContact O-N 3.24Å; T412-Y414 VanDerWaalsContact C-N 3.27Å; T412-Y414 PolarHBondContact O-N 2.78Å; T412-L415 PolarHBondContact O-N 3.11Å; T412-E416 HydrophobicContact CG2-CG 4.34Å; T412-E416 WeakPolarHBondContact CG2-OE1 3.42Å; T412-E416 WeakPolarHBondContact O-CB 3.43Å; T412-E416 WeakPolarHBondContact O-CG 3.35Å; T412-E416 PolarHBondContact O-N 3.17Å
413	E	87.1	Confident	90.1	Very high	7 Å²	7	59.9 Å²	59.9	3%	0.033	29%	0.291	C	S	.	.	H	α-helix	trans	-55.7	-42.8	176.9	-70	169.2	-173.7	0	0	112	F33 P35 R37 Q409 L417	F33-E413 WeakPolarHBondContact CE1-O 3.37Å; P35-E413 HydrophobicContact CB-CG 3.83Å; P35-E413 HydrophobicContact CG-CB 4.21Å; P35-E413 HydrophobicContact CG-CG 3.78Å; R37-E413 IonicContact CZ-OE1 2.63Å; R37-E413 VanDerWaalsContact CZ-OE1 3.3Å; R37-E413 IonicContact CZ-OE2 3.57Å; R37-E413 IonicContact NH1-OE1 3.11Å; R37-E413 PolarHBondContact NH1-OE1 3.09Å; R37-E413 IonicContact NH1-OE2 3.43Å; R37-E413 IonicContact NH2-OE1 3.67Å; R37-E413 PolarHBondContact NH2-OE1 3.37Å; R37-E413 IonicContact NH2-OE2 2.73Å; R37-E413 PolarHBondContact NH2-OE2 3.1Å; Q409-E413 WeakPolarHBondContact CG-OE1 3.39Å; Q409-E413 VanDerWaalsContact O-CG 3.27Å; Q409-E413 WeakPolarHBondContact O-CG 3.2Å; Q409-E413 PolarHBondContact O-N 2.99Å; E413-L417 WeakPolarHBondContact O-CB 3.42Å; E413-L417 PolarHBondContact O-N 3.16Å
414	Y	89.5	Confident	90.5	Very high	30 Å²	30	58.4 Å²	58.4	12%	0.118	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-48	177.5	167.2	-118.4	0	0	0	112.6	H304 H307 L308 A410 T411 T412 E416 L417 L418	H304-Y414 AromaticContact CD2-CE2 3.38Å; H304-Y414 WeakPolarHBondContact CD2-CE2 3.3Å; H304-Y414 AromaticContact CD2-CZ 3.69Å; H304-Y414 PolarHBondContact CD2-OH 2.86Å; H304-Y414 VanDerWaalsContact CD2-OH 3.25Å; H304-Y414 AromaticContact NE2-CE2 3.69Å; H304-Y414 AromaticContact NE2-CZ 3.64Å; H304-Y414 PolarHBondContact NE2-OH 3.33Å; H307-Y414 HydrophobicContact CB-CD2 4.12Å; H307-Y414 HydrophobicContact CB-CG 4.42Å; L308-Y414 HydrophobicContact CD1-CD1 4.45Å; L308-Y414 HydrophobicContact CD1-CE1 3.91Å; L308-Y414 HydrophobicContact CD1-CE2 4.12Å; L308-Y414 HydrophobicContact CD2-CD1 3.73Å; L308-Y414 HydrophobicContact CD2-CD2 4.35Å; L308-Y414 HydrophobicContact CD2-CE1 4Å; L308-Y414 HydrophobicContact CD2-CG 3.9Å; L308-Y414 HydrophobicContact CG-CD1 4.36Å; L308-Y414 HydrophobicContact CG-CD2 4.28Å; L308-Y414 HydrophobicContact CG-CE1 4.3Å; L308-Y414 HydrophobicContact CG-CE2 4.28Å; L308-Y414 HydrophobicContact CG-CG 4.32Å; A410-Y414 WeakPolarHBondContact O-CB 3.3Å; A410-Y414 PolarHBondContact O-N 3.42Å; A410-Y414 VanDerWaalsContact O-N 3.09Å; T411-Y414 PolarHBondContact O-N 2.95Å; T412-Y414 VanDerWaalsContact C-N 3.27Å; T412-Y414 PolarHBondContact O-N 2.78Å; Y414-E416 VanDerWaalsContact C-N 3.33Å; Y414-E416 PolarHBondContact O-N 3.36Å; Y414-L417 PolarHBondContact O-N 3.1Å; Y414-L418 HydrophobicContact CE1-CD2 4.49Å; Y414-L418 HydrophobicContact CE2-CB 4.29Å; Y414-L418 WeakPolarHBondContact O-CB 3.48Å; Y414-L418 PolarHBondContact O-N 3.04Å
415	L	92.5	Very high	91	Very high	95 Å²	95	52 Å²	52	50%	0.497	26%	0.26	S	S	.	.	H	α-helix	trans	-66.4	-36.5	-177.3	-70.8	174.3	0	0	0	112	T411 T412 L418 L419	T411-L415 HydrophobicContact CG2-CD1 3.87Å; T411-L415 HydrophobicContact CG2-CG 4.24Å; T411-L415 WeakPolarHBondContact O-CB 3.49Å; T411-L415 VanDerWaalsContact O-CG 3.26Å; T411-L415 WeakPolarHBondContact O-CG 3.35Å; T411-L415 PolarHBondContact O-N 2.7Å; T412-L415 PolarHBondContact O-N 3.11Å; L415-L418 PolarHBondContact O-N 3.24Å; L415-L419 WeakPolarHBondContact O-CB 3.4Å; L415-L419 PolarHBondContact O-N 3.08Å
416	E	90.7	Very high	91.5	Very high	86 Å²	86	54.6 Å²	54.6	40%	0.402	27%	0.269	S	S	.	.	H	α-helix	trans	-63.8	-43.7	174.9	-73.7	172.9	169.7	0	0	111.4	F33 T412 Y414 L419 Q420	F33-E416 HydrophobicContact CE1-CB 4.18Å; F33-E416 HydrophobicContact CE2-CB 4.12Å; F33-E416 HydrophobicContact CZ-CB 3.65Å; F33-E416 WeakPolarHBondContact CZ-OE2 3.47Å; T412-E416 HydrophobicContact CG2-CG 4.34Å; T412-E416 WeakPolarHBondContact CG2-OE1 3.42Å; T412-E416 WeakPolarHBondContact O-CB 3.43Å; T412-E416 WeakPolarHBondContact O-CG 3.35Å; T412-E416 PolarHBondContact O-N 3.17Å; Y414-E416 VanDerWaalsContact C-N 3.33Å; Y414-E416 PolarHBondContact O-N 3.36Å; E416-L419 PolarHBondContact O-N 2.66Å; E416-Q420 WeakPolarHBondContact O-CG 3.45Å; E416-Q420 PolarHBondContact O-N 3.25Å
417	L	90.1	Very high	91.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.8	-45.9	175	176.2	64	0	0	0	112	L29 T31 F33 A303 E413 Y414 L419 Q420 I421	L29-L417 HydrophobicContact CD1-CD1 4.03Å; L29-L417 HydrophobicContact CD1-CD2 3.44Å; L29-L417 VanDerWaalsContact CD1-CD2 3.44Å; L29-L417 HydrophobicContact CD1-CG 4.37Å; T31-L417 HydrophobicContact CG2-CD1 3.54Å; T31-L417 WeakPolarHBondContact OG1-CD1 3.35Å; F33-L417 HydrophobicContact CD1-CB 4.12Å; F33-L417 HydrophobicContact CD1-CD1 4.37Å; F33-L417 HydrophobicContact CE1-CB 4.25Å; A303-L417 HydrophobicContact CB-CD2 3.49Å; A303-L417 VanDerWaalsContact CB-CD2 3.49Å; A303-L417 HydrophobicContact CB-CG 4.17Å; E413-L417 WeakPolarHBondContact O-CB 3.42Å; E413-L417 PolarHBondContact O-N 3.16Å; Y414-L417 PolarHBondContact O-N 3.1Å; L417-L419 VanDerWaalsContact C-N 3.32Å; L417-L419 PolarHBondContact O-N 3.19Å; L417-Q420 PolarHBondContact O-N 3.43Å; L417-I421 HydrophobicContact CD1-CD1 4.32Å; L417-I421 HydrophobicContact CG-CD1 4.19Å; L417-I421 WeakPolarHBondContact O-CG1 3.31Å; L417-I421 PolarHBondContact O-N 3.36Å; L417-I421 VanDerWaalsContact O-N 3.12Å
418	L	92.5	Very high	92.2	Very high	39 Å²	39	56.4 Å²	56.4	20%	0.204	28%	0.28	C	S	.	.	H	α-helix	trans	-60.4	-43.1	178.3	-179.6	64.4	0	0	0	111.4	Q300 Y414 L415 Q420 I421 Q422	Q300-L418 HydrophobicContact CG-CD1 3.91Å; Y414-L418 HydrophobicContact CE1-CD2 4.49Å; Y414-L418 HydrophobicContact CE2-CB 4.29Å; Y414-L418 WeakPolarHBondContact O-CB 3.48Å; Y414-L418 PolarHBondContact O-N 3.04Å; L415-L418 PolarHBondContact O-N 3.24Å; L418-Q420 VanDerWaalsContact C-N 3.31Å; L418-Q420 PolarHBondContact O-N 3.41Å; L418-I421 PolarHBondContact O-N 3.42Å; L418-Q422 HydrophobicContact CD1-CG 4.21Å; L418-Q422 HydrophobicContact CG-CG 4.42Å; L418-Q422 WeakPolarHBondContact O-CB 3.37Å; L418-Q422 WeakPolarHBondContact O-CG 3.45Å; L418-Q422 PolarHBondContact O-N 3.26Å
419	L	93.7	Very high	92.6	Very high	106 Å²	106	54.3 Å²	54.3	56%	0.555	27%	0.269	S	S	*	.	H	α-helix	trans	-57.8	-44.8	176.4	177	62.2	0	0	0	111.3	L415 E416 L417 I421 Q422 L423	L415-L419 WeakPolarHBondContact O-CB 3.4Å; L415-L419 PolarHBondContact O-N 3.08Å; E416-L419 PolarHBondContact O-N 2.66Å; L417-L419 VanDerWaalsContact C-N 3.32Å; L417-L419 PolarHBondContact O-N 3.19Å; L419-I421 PolarHBondContact O-N 3.4Å; L419-Q422 PolarHBondContact O-N 3.38Å; L419-L423 HydrophobicContact CD1-CD1 4.2Å; L419-L423 HydrophobicContact CD1-CG 4.18Å; L419-L423 HydrophobicContact CG-CD1 4.04Å; L419-L423 HydrophobicContact CG-CG 4.46Å; L419-L423 WeakPolarHBondContact O-CB 3.4Å; L419-L423 VanDerWaalsContact O-CG 3.26Å; L419-L423 WeakPolarHBondContact O-CG 3.28Å; L419-L423 PolarHBondContact O-N 2.86Å
420	Q	93.1	Very high	93	Very high	62 Å²	62	58.3 Å²	58.3	29%	0.29	29%	0.287	S	S	.	.	H	α-helix	trans	-63.2	-40.7	178.6	-70.4	174.9	8.5	0	0	112.8	F33 E416 L417 L418 K424	F33-Q420 VanDerWaalsContact CD2-NE2 3.33Å; E416-Q420 WeakPolarHBondContact O-CG 3.45Å; E416-Q420 PolarHBondContact O-N 3.25Å; L417-Q420 PolarHBondContact O-N 3.43Å; L418-Q420 VanDerWaalsContact C-N 3.31Å; L418-Q420 PolarHBondContact O-N 3.41Å; Q420-K424 PolarHBondContact O-N 2.86Å
421	I	93.4	Very high	93.3	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.2	-46.8	177.2	-64.2	167.6	0	0	0	109.9	T31 L296 L299 Q300 A303 L417 L418 L419 L423 K424 V425	T31-I421 HydrophobicContact CG2-CG1 4.27Å; L296-I421 HydrophobicContact CB-CG2 4.29Å; L296-I421 HydrophobicContact CD2-CG2 4.5Å; L296-I421 WeakPolarHBondContact O-CG2 3.26Å; L299-I421 HydrophobicContact CD2-CD1 4.38Å; L299-I421 HydrophobicContact CD2-CG1 4.08Å; L299-I421 HydrophobicContact CG-CD1 4Å; L299-I421 HydrophobicContact CG-CG1 4.26Å; Q300-I421 HydrophobicContact CB-CD1 4.4Å; Q300-I421 HydrophobicContact CB-CG2 4.27Å; A303-I421 HydrophobicContact CB-CD1 4.07Å; L417-I421 HydrophobicContact CD1-CD1 4.32Å; L417-I421 HydrophobicContact CG-CD1 4.19Å; L417-I421 WeakPolarHBondContact O-CG1 3.31Å; L417-I421 PolarHBondContact O-N 3.36Å; L417-I421 VanDerWaalsContact O-N 3.12Å; L418-I421 PolarHBondContact O-N 3.42Å; L419-I421 PolarHBondContact O-N 3.4Å; I421-L423 PolarHBondContact O-N 3.4Å; I421-K424 WeakPolarHBondContact O-CB 3.29Å; I421-K424 PolarHBondContact O-N 3.09Å; I421-K424 VanDerWaalsContact O-N 3.12Å; I421-V425 PolarHBondContact O-N 3.3Å
422	Q	95.4	Very high	93.6	Very high	74 Å²	74	64.2 Å²	64.2	35%	0.346	31%	0.308	S	S	.	.	H	α-helix	trans	-67.6	-32.7	-178.8	-70.3	-62.7	-36.2	0	0	113.2	L418 L419 K424 V425 L426	L418-Q422 HydrophobicContact CD1-CG 4.21Å; L418-Q422 HydrophobicContact CG-CG 4.42Å; L418-Q422 WeakPolarHBondContact O-CB 3.37Å; L418-Q422 WeakPolarHBondContact O-CG 3.45Å; L418-Q422 PolarHBondContact O-N 3.26Å; L419-Q422 PolarHBondContact O-N 3.38Å; Q422-K424 VanDerWaalsContact C-N 3.32Å; Q422-K424 PolarHBondContact O-N 3.11Å; Q422-V425 WeakPolarHBondContact O-CB 3.5Å; Q422-V425 PolarHBondContact O-N 3.46Å; Q422-L426 PolarHBondContact O-N 2.93Å
423	L	95.8	Very high	93.8	Very high	94 Å²	94	66 Å²	66	49%	0.492	32%	0.315	S	S	.	.	H	α-helix	trans	-63.2	-37.9	171.1	-74.1	170.6	0	0	0	112.1	L419 I421 L426 E427	L419-L423 HydrophobicContact CD1-CD1 4.2Å; L419-L423 HydrophobicContact CD1-CG 4.18Å; L419-L423 HydrophobicContact CG-CD1 4.04Å; L419-L423 HydrophobicContact CG-CG 4.46Å; L419-L423 WeakPolarHBondContact O-CB 3.4Å; L419-L423 VanDerWaalsContact O-CG 3.26Å; L419-L423 WeakPolarHBondContact O-CG 3.28Å; L419-L423 PolarHBondContact O-N 2.86Å; I421-L423 PolarHBondContact O-N 3.4Å; L423-L426 PolarHBondContact O-N 3.32Å; L423-E427 PolarHBondContact O-N 3.26Å
424	K	95.6	Very high	94	Very high	73 Å²	73	69.5 Å²	69.5	32%	0.317	34%	0.34	S	S	.	.	H	α-helix	trans	-67.9	-35.2	173.5	-68.5	179.9	178.7	-175.7	0	112.2	L296 Q420 I421 Q422 L426 E427 N428	L296-K424 HydrophobicContact CD1-CB 3.75Å; L296-K424 HydrophobicContact CD2-CB 3.81Å; L296-K424 HydrophobicContact CD2-CD 3.88Å; L296-K424 HydrophobicContact CG-CB 4.48Å; Q420-K424 PolarHBondContact O-N 2.86Å; I421-K424 WeakPolarHBondContact O-CB 3.29Å; I421-K424 PolarHBondContact O-N 3.09Å; I421-K424 VanDerWaalsContact O-N 3.12Å; Q422-K424 VanDerWaalsContact C-N 3.32Å; Q422-K424 PolarHBondContact O-N 3.11Å; K424-L426 VanDerWaalsContact C-N 3.35Å; K424-E427 PolarHBondContact O-N 3.18Å; K424-N428 PolarHBondContact O-N 3.35Å; K424-N428 VanDerWaalsContact O-N 3.12Å; K424-N428 PolarHBondContact O-ND2 2.97Å
425	V	95.6	Very high	93.9	Very high	13 Å²	13	70.8 Å²	70.8	8%	0.079	35%	0.353	C	S	.	.	H	α-helix	trans	-61.8	-47	173.8	171.9	0	0	0	0	109.7	V293 L296 I421 Q422 E427 N428 W429	V293-V425 HydrophobicContact CG1-CG1 4.4Å; V293-V425 HydrophobicContact CG2-CG1 4.33Å; L296-V425 HydrophobicContact CB-CG2 3.82Å; L296-V425 HydrophobicContact CD1-CB 4.39Å; L296-V425 HydrophobicContact CD1-CG2 3.69Å; L296-V425 HydrophobicContact CG-CG2 4.39Å; I421-V425 PolarHBondContact O-N 3.3Å; Q422-V425 WeakPolarHBondContact O-CB 3.5Å; Q422-V425 PolarHBondContact O-N 3.46Å; V425-E427 PolarHBondContact O-N 2.9Å; V425-N428 PolarHBondContact O-N 3.45Å; V425-W429 VanDerWaalsContact O-CD1 3.23Å; V425-W429 PolarHBondContact O-N 3.35Å
426	L	96.7	Very high	93.6	Very high	89 Å²	89	67.5 Å²	67.5	47%	0.466	34%	0.337	S	S	.	.	H	α-helix	trans	-58.2	-47.1	176.2	179.7	64.5	0	0	0	111.9	Q422 L423 K424 N428 W429 E430	Q422-L426 PolarHBondContact O-N 2.93Å; L423-L426 PolarHBondContact O-N 3.32Å; K424-L426 VanDerWaalsContact C-N 3.35Å; L426-N428 VanDerWaalsContact C-N 3.29Å; L426-N428 PolarHBondContact O-N 3.02Å; L426-W429 PolarHBondContact O-N 3.01Å; L426-W429 VanDerWaalsContact O-N 3.13Å; L426-E430 HydrophobicContact CD1-CG 4.23Å; L426-E430 HydrophobicContact CG-CG 4.31Å; L426-E430 WeakPolarHBondContact O-CG 3.5Å; L426-E430 PolarHBondContact O-N 3.24Å
427	E	96.2	Very high	93	Very high	128 Å²	128	70.1 Å²	70.1	60%	0.598	35%	0.353	S	S	*	.	H	α-helix	trans	-58	-40	178.7	-175.3	-178	176.7	0	0	112.3	L423 K424 V425 E430 K431	L423-E427 PolarHBondContact O-N 3.26Å; K424-E427 PolarHBondContact O-N 3.18Å; V425-E427 PolarHBondContact O-N 2.9Å; E427-E430 PolarHBondContact O-N 3.39Å; E427-K431 WeakPolarHBondContact O-CB 3.25Å; E427-K431 PolarHBondContact O-N 3.33Å
428	N	96.2	Very high	92.1	Very high	27 Å²	27	73 Å²	73	14%	0.144	38%	0.383	C	S	.	.	H	α-helix	trans	-63.4	-43.2	176.4	-82.6	-79.5	0	0	0	111.7	T289 H292 V293 K424 V425 L426 K431 Y432	T289-N428 HydrophobicContact CG2-CB 4.26Å; H292-N428 VanDerWaalsContact CB-OD1 3.29Å; H292-N428 WeakPolarHBondContact CB-OD1 3.41Å; H292-N428 PolarHBondContact ND1-OD1 3.41Å; V293-N428 HydrophobicContact CG2-CB 4.35Å; K424-N428 PolarHBondContact O-N 3.35Å; K424-N428 VanDerWaalsContact O-N 3.12Å; K424-N428 PolarHBondContact O-ND2 2.97Å; V425-N428 PolarHBondContact O-N 3.45Å; L426-N428 VanDerWaalsContact C-N 3.29Å; L426-N428 PolarHBondContact O-N 3.02Å; N428-K431 PolarHBondContact O-N 3.16Å; N428-Y432 PolarHBondContact O-N 3.48Å
429	W	97	Very high	91	Very high	85 Å²	85	73.7 Å²	73.7	32%	0.322	39%	0.389	S	S	.	.	H	α-helix	trans	-68.5	-39.4	176.5	-75.2	114.1	0	0	0	113.2	L286 T289 E290 V293 V425 L426 K431 Y432 L433	L286-W429 HydrophobicContact CD1-CH2 4.17Å; L286-W429 HydrophobicContact CD1-CZ3 3.98Å; T289-W429 HydrophobicContact CG2-CD2 4.04Å; T289-W429 HydrophobicContact CG2-CE3 3.86Å; T289-W429 HydrophobicContact CG2-CH2 4.45Å; T289-W429 HydrophobicContact CG2-CZ3 4.07Å; E290-W429 WeakPolarHBondContact OE1-CH2 3.39Å; V293-W429 HydrophobicContact CG2-CZ2 4.44Å; V425-W429 VanDerWaalsContact O-CD1 3.23Å; V425-W429 PolarHBondContact O-N 3.35Å; L426-W429 PolarHBondContact O-N 3.01Å; L426-W429 VanDerWaalsContact O-N 3.13Å; W429-K431 VanDerWaalsContact C-N 3.34Å; W429-Y432 HydrophobicContact CE3-CD1 4.1Å; W429-Y432 HydrophobicContact CZ3-CD1 4.15Å; W429-Y432 WeakPolarHBondContact O-CB 3.24Å; W429-Y432 PolarHBondContact O-N 2.88Å; W429-L433 WeakPolarHBondContact O-CG 3.43Å; W429-L433 PolarHBondContact O-N 3.16Å
430	E	96	Very high	89.2	Confident	114 Å²	114	78.9 Å²	78.9	53%	0.533	42%	0.417	S	S	.	.	H	α-helix	trans	-63.3	-41.1	174.9	-72.7	-179.9	159.3	0	0	111.5	L426 E427 L433 S434	L426-E430 HydrophobicContact CD1-CG 4.23Å; L426-E430 HydrophobicContact CG-CG 4.31Å; L426-E430 WeakPolarHBondContact O-CG 3.5Å; L426-E430 PolarHBondContact O-N 3.24Å; E427-E430 PolarHBondContact O-N 3.39Å; E430-L433 PolarHBondContact O-N 3.37Å; E430-S434 PolarHBondContact O-N 3.17Å
431	K	94.4	Very high	89	Confident	126 Å²	126	79.8 Å²	79.8	55%	0.548	42%	0.424	S	S	.	.	H	α-helix	trans	-60.7	-46	173.9	-175.8	-179.3	176.9	-174.2	0	111.2	E427 N428 W429 L433 S434 C435	E427-K431 WeakPolarHBondContact O-CB 3.25Å; E427-K431 PolarHBondContact O-N 3.33Å; N428-K431 PolarHBondContact O-N 3.16Å; W429-K431 VanDerWaalsContact C-N 3.34Å; K431-L433 PolarHBondContact O-N 3.29Å; K431-S434 PolarHBondContact O-N 3.2Å; K431-S434 PolarHBondContact O-OG 3Å; K431-C435 PolarHBondContact O-N 2.92Å; K431-C435 VanDerWaalsContact O-N 3.08Å; K431-C435 PolarHBondContact O-SG 3.24Å; K431-C435 VanDerWaalsContact O-SG 3.36Å
432	Y	95	Very high	88.8	Confident	43 Å²	43	83.9 Å²	83.9	17%	0.169	45%	0.446	C	S	.	.	H	α-helix	trans	-56.5	-48.9	175.6	174.3	-110.7	0	0	0	112.8	A282 H285 L286 T289 N428 W429 S434 C435 T436	A282-Y432 WeakPolarHBondContact O-CE2 3.22Å; H285-Y432 HydrophobicContact CB-CD2 3.94Å; H285-Y432 HydrophobicContact CB-CE2 4.12Å; L286-Y432 HydrophobicContact CB-CD2 4.43Å; L286-Y432 HydrophobicContact CB-CE2 3.64Å; L286-Y432 HydrophobicContact CD1-CE1 4.24Å; L286-Y432 HydrophobicContact CD1-CE2 4.24Å; T289-Y432 WeakPolarHBondContact OG1-CB 3.46Å; N428-Y432 PolarHBondContact O-N 3.48Å; W429-Y432 HydrophobicContact CE3-CD1 4.1Å; W429-Y432 HydrophobicContact CZ3-CD1 4.15Å; W429-Y432 WeakPolarHBondContact O-CB 3.24Å; W429-Y432 PolarHBondContact O-N 2.88Å; Y432-S434 VanDerWaalsContact C-N 3.27Å; Y432-S434 PolarHBondContact O-N 3.16Å; Y432-C435 PolarHBondContact O-N 3.3Å; Y432-C435 VanDerWaalsContact O-N 3.17Å; Y432-T436 HydrophobicContact CD2-CG2 4.05Å; Y432-T436 HydrophobicContact CE1-CG2 4.44Å; Y432-T436 HydrophobicContact CE2-CG2 3.49Å; Y432-T436 VanDerWaalsContact CE2-CG2 3.49Å; Y432-T436 PolarHBondContact O-N 3.21Å; Y432-T436 VanDerWaalsContact O-N 3.11Å; Y432-T436 PolarHBondContact O-OG1 3.12Å
433	L	93.4	Very high	88.5	Confident	96 Å²	96	84.5 Å²	84.5	50%	0.503	45%	0.452	S	S	.	.	H	α-helix	trans	-59.3	-40.8	177.5	-71.7	170.9	0	0	0	111.3	W429 E430 K431 C435 T436 N437	W429-L433 WeakPolarHBondContact O-CG 3.43Å; W429-L433 PolarHBondContact O-N 3.16Å; E430-L433 PolarHBondContact O-N 3.37Å; K431-L433 PolarHBondContact O-N 3.29Å; L433-C435 VanDerWaalsContact C-N 3.32Å; L433-C435 PolarHBondContact O-N 2.84Å; L433-T436 PolarHBondContact O-N 3.07Å; L433-T436 PolarHBondContact O-OG1 3.16Å; L433-N437 WeakPolarHBondContact O-CB 3.34Å; L433-N437 PolarHBondContact O-N 3.49Å; L433-N437 PolarHBondContact O-ND2 3.3Å; L433-N437 PolarHBondContact O-OD1 3.07Å
434	S	91	Very high	88	Confident	80 Å²	80	83.9 Å²	83.9	56%	0.559	45%	0.449	S	S	*	.	H	α-helix	trans	-63	-37.3	177.9	80.8	0	0	0	0	112.9	E430 K431 Y432 T436	E430-S434 PolarHBondContact O-N 3.17Å; K431-S434 PolarHBondContact O-N 3.2Å; K431-S434 PolarHBondContact O-OG 3Å; Y432-S434 VanDerWaalsContact C-N 3.27Å; Y432-S434 PolarHBondContact O-N 3.16Å; S434-T436 VanDerWaalsContact C-N 3.34Å
435	C	86.9	Confident	87.6	Confident	57 Å²	57	84.6 Å²	84.6	39%	0.385	46%	0.457	S	S	.	.	H	α-helix	trans	-74.9	-22.3	178.4	-66.8	0	0	0	0	113.1	K431 Y432 L433	K431-C435 PolarHBondContact O-N 2.92Å; K431-C435 VanDerWaalsContact O-N 3.08Å; K431-C435 PolarHBondContact O-SG 3.24Å; K431-C435 VanDerWaalsContact O-SG 3.36Å; Y432-C435 PolarHBondContact O-N 3.3Å; Y432-C435 VanDerWaalsContact O-N 3.17Å; L433-C435 VanDerWaalsContact C-N 3.32Å; L433-C435 PolarHBondContact O-N 2.84Å
436	T	87	Confident	87	Confident	26 Å²	26	89.4 Å²	89.4	16%	0.16	48%	0.483	C	S	.	.	H	α-helix	trans	-105.4	-11.6	-173.7	51.5	0	0	0	0	114.6	A282 Y432 L433 S434 G438 V439	A282-T436 HydrophobicContact CB-CG2 3.99Å; Y432-T436 HydrophobicContact CD2-CG2 4.05Å; Y432-T436 HydrophobicContact CE1-CG2 4.44Å; Y432-T436 HydrophobicContact CE2-CG2 3.49Å; Y432-T436 VanDerWaalsContact CE2-CG2 3.49Å; Y432-T436 PolarHBondContact O-N 3.21Å; Y432-T436 VanDerWaalsContact O-N 3.11Å; Y432-T436 PolarHBondContact O-OG1 3.12Å; L433-T436 PolarHBondContact O-N 3.07Å; L433-T436 PolarHBondContact O-OG1 3.16Å; S434-T436 VanDerWaalsContact C-N 3.34Å; T436-G438 PolarHBondContact O-N 3.21Å; T436-V439 PolarHBondContact O-N 3.15Å; T436-V439 VanDerWaalsContact O-N 3.1Å
437	N	77.6	Confident	86.3	Confident	140 Å²	140	89.4 Å²	89.4	75%	0.749	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	10.7	-179.4	-87.2	-21.7	0	0	0	116.7	L433	L433-N437 WeakPolarHBondContact O-CB 3.34Å; L433-N437 PolarHBondContact O-N 3.49Å; L433-N437 PolarHBondContact O-ND2 3.3Å; L433-N437 PolarHBondContact O-OD1 3.07Å
438	G	71.9	Confident	85.6	Confident	61 Å²	61	86.5 Å²	86.5	63%	0.629	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.4	10	175.8	0	0	0	0	0	114.6	T436 N440	T436-G438 PolarHBondContact O-N 3.21Å; G438-N440 PolarHBondContact O-N 3.48Å
439	V	69.2	Low	84.7	Confident	54 Å²	54	91.4 Å²	91.4	33%	0.327	50%	0.503	S	S	.	.			trans	-79.7	101.7	175	-180	0	0	0	0	107.9	G278 A282 T436	G278-V439 VanDerWaalsContact O-CG1 3.29Å; G278-V439 WeakPolarHBondContact O-CG1 3.21Å; A282-V439 HydrophobicContact CB-CG1 4.36Å; A282-V439 HydrophobicContact CB-CG2 4.31Å; T436-V439 PolarHBondContact O-N 3.15Å; T436-V439 VanDerWaalsContact O-N 3.1Å
440	N	56.6	Low	83.5	Confident	215 Å²	215	92 Å²	92	100%	1.15	52%	0.519	S	S	*	.			trans	-85.7	0	176.3	-74.9	-41.7	0	0	0	112.4	G438	G438-N440 PolarHBondContact O-N 3.48Å

Retrieved 440 of 440 residues in 282.6 ms (Link to these results)

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