A0A060WW40_ONCMY Loading...

Cullin 3b

AlphaFold DB , UniProt , Accession A0A060WW40, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110507355, Length 767 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	41	Very low	34.7	Very low	240 Å²	240	152.3 Å²	152.3	100%	1.182	86%	0.862	S	S	*	*				0	115.5	0	-67.7	-177.5	-163.6	0	0	107.6
2	S	35.3	Very low	34.7	Very low	120 Å²	120	153.4 Å²	153.4	84%	0.839	86%	0.864	S	S	*	*			trans	9.5	96	174.8	51.4	0	0	0	0	121.7
3	N	32.6	Very low	34.8	Very low	145 Å²	145	151.5 Å²	151.5	78%	0.775	86%	0.858	S	S	*	*			trans	15.9	131	132.1	-73.4	-9.8	0	0	0	124.1
4	L	35.2	Very low	35.3	Very low	157 Å²	157	155.6 Å²	155.6	82%	0.822	86%	0.861	S	S	*	*				49.3	141.9	123.2	-72.7	145.6	0	0	0	119.7
5	S	30.4	Very low	35.1	Very low	90 Å²	90	157.1 Å²	157.1	63%	0.629	86%	0.862	S	S	*	*			cis	-170.8	158.2	9.4	85.8	0	0	0	0	111.7
6	K	35.5	Very low	35.5	Very low	208 Å²	208	162.8 Å²	162.8	90%	0.904	87%	0.867	S	S	*	*			trans	65.2	118.5	149.2	-66.8	-180	179.6	-179.5	0	121.9
7	G	30.7	Very low	35.9	Very low	78 Å²	78	162.3 Å²	162.3	80%	0.804	86%	0.863	S	S	*	*			trans	-142.9	114.2	150.5	0	0	0	0	0	110.2
8	G	31.4	Very low	36	Very low	81 Å²	81	166.2 Å²	166.2	84%	0.835	86%	0.864	S	S	*	*			trans	-89.4	132.5	178.2	0	0	0	0	0	112.1
9	T	34	Very low	36.1	Very low	150 Å²	150	162.5 Å²	162.5	92%	0.92	86%	0.86	S	S	*	*			trans	-94.6	110	176.7	47.1	0	0	0	0	111
10	K	34	Very low	36.3	Very low	207 Å²	207	163.7 Å²	163.7	90%	0.9	86%	0.858	S	S	*	*			trans	-90.5	143.9	172.2	-98.6	-179.6	174.4	178.3	0	111.1
11	K	41.3	Very low	36.8	Very low	199 Å²	199	160.9 Å²	160.9	87%	0.865	85%	0.849	S	S	*	*			trans	-51.5	130.6	168.4	-83.5	173.3	166.3	175.7	0	112.1
12	D	35	Very low	37.3	Very low	166 Å²	166	158.2 Å²	158.2	89%	0.888	84%	0.836	S	S	*	*			trans	-101.4	111.9	162	-94.1	-25.5	0	0	0	111.2
13	T	36.3	Very low	38.4	Very low	128 Å²	128	158.2 Å²	158.2	79%	0.785	83%	0.831	S	S	*	*			trans	-82.1	112.4	170.7	-44	0	0	0	0	106.9	M15	T13-M15 PolarHBondContact O-N 3.29Å
14	K	41.5	Very low	40.1	Very low	209 Å²	209	152.7 Å²	152.7	91%	0.909	80%	0.801	S	S	*	*			trans	-61.9	101.6	172.7	-92.5	-178.4	175.1	175.9	0	110	R16	K14-R16 PolarHBondContact O-N 2.73Å
15	M	31.5	Very low	42.1	Very low	178 Å²	178	150.2 Å²	150.2	88%	0.877	79%	0.788	S	S	*	*			trans	-79.6	108.8	170.3	-159.8	166.4	170.3	0	0	108.4	T13 I17	T13-M15 PolarHBondContact O-N 3.29Å; M15-I17 PolarHBondContact O-N 3.46Å
16	R	42.6	Very low	44.4	Very low	249 Å²	249	153.1 Å²	153.1	94%	0.94	79%	0.792	S	S	*	*			trans	-68.5	105	169	-97.8	-179.6	171.3	170.6	-2.8	108.4	K14 R18	K14-R16 PolarHBondContact O-N 2.73Å; R16-R18 PolarHBondContact O-N 2.74Å
17	I	41.4	Very low	46.6	Very low	154 Å²	154	150.5 Å²	150.5	79%	0.79	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-70.5	118.7	166.1	-59.4	175.2	0	0	0	107	M15 A19	M15-I17 PolarHBondContact O-N 3.46Å; I17-A19 PolarHBondContact O-N 3.49Å
18	R	37.9	Very low	49.1	Very low	233 Å²	233	152.7 Å²	152.7	88%	0.879	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-60.6	131.3	170.2	-84.1	179.1	171.4	173.6	-3	108.7	R16 F20	R16-R18 PolarHBondContact O-N 2.74Å; R18-F20 PolarHBondContact O-N 2.9Å
19	A	38	Very low	51.7	Low	96 Å²	96	149 Å²	149	79%	0.793	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-61.2	128.4	170.3	0	0	0	0	0	109.8	I17	I17-A19 PolarHBondContact O-N 3.49Å
20	F	40.7	Very low	54.3	Low	186 Å²	186	144.7 Å²	144.7	82%	0.816	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-62.3	144.1	167.5	-83.4	-95.3	0	0	0	109.4	R18 M22	R18-F20 PolarHBondContact O-N 2.9Å; F20-M22 PolarHBondContact O-N 3.07Å
21	P	45.6	Very low	56.9	Low	104 Å²	104	139.8 Å²	139.8	68%	0.675	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-57.5	125.1	177	-18.1	29.5	0	0	0	110.4	T23	P21-T23 PolarHBondContact O-N 3.47Å
22	M	52.3	Low	59.2	Low	184 Å²	184	130.7 Å²	130.7	91%	0.906	64%	0.642	S	S	*	*	S	Bend	trans	-77	-0.9	-177.4	-83.4	-168.4	-177	0	0	114.4	F20	F20-M22 PolarHBondContact O-N 3.07Å
23	T	59.2	Low	62	Low	120 Å²	120	123.9 Å²	123.9	74%	0.736	60%	0.604	S	S	*	*	S	Bend	trans	-139.3	125.6	-175	53.1	0	0	0	0	110.9	P21	P21-T23 PolarHBondContact O-N 3.47Å
24	M	68.4	Low	64.6	Low	29 Å²	29	121.6 Å²	121.6	14%	0.143	59%	0.587	C	S	.	*			trans	-72.9	148.1	169.5	-74.6	173	70.6	0	0	110.4	Y28 V29 I32 T62 H66	M24-Y28 HydrophobicContact CE-CD1 3.35Å; M24-Y28 HydrophobicContact CE-CE1 3.59Å; M24-Y28 HydrophobicContact CE-CG 4.46Å; M24-V29 HydrophobicContact CB-CG2 3.68Å; M24-V29 HydrophobicContact CE-CG2 3.76Å; M24-V29 HydrophobicContact SD-CG2 4.19Å; M24-I32 HydrophobicContact CE-CD1 3.53Å; M24-T62 HydrophobicContact CE-CG2 4.05Å; M24-T62 HydrophobicContact SD-CG2 3.95Å; M24-H66 HydrophobicContact CG-CB 3.9Å; M24-H66 HydrophobicContact SD-CB 3.43Å; M24-H66 WeakPolarHBondContact SD-CB 3.45Å; M24-H66 PolarHBondContact SD-CD2 2.92Å
25	D	77.1	Confident	67	Low	105 Å²	105	115 Å²	115	56%	0.561	56%	0.562	S	S	*	*			trans	-66.3	132.2	169.2	178.5	5.3	0	0	0	110.1	K27 Y28 V29	D25-K27 PolarHBondContact O-N 3.44Å; D25-K27 PolarHBondContact OD1-N 3.49Å; D25-Y28 WeakPolarHBondContact O-CB 3.27Å; D25-Y28 PolarHBondContact O-N 2.95Å; D25-V29 PolarHBondContact O-N 3.47Å
26	E	78.6	Confident	69.9	Low	152 Å²	152	106.6 Å²	106.6	71%	0.71	52%	0.52	S	S	*	.	H	α-helix	trans	-56.4	-35.1	179.8	-76.7	-167.7	153.8	0	0	112.8	Y28 V29 N30	E26-Y28 VanDerWaalsContact C-N 3.3Å; E26-Y28 PolarHBondContact O-N 3.42Å; E26-V29 PolarHBondContact O-N 3.41Å; E26-N30 WeakPolarHBondContact O-CB 3.28Å; E26-N30 VanDerWaalsContact O-CG 3.27Å; E26-N30 PolarHBondContact O-N 2.62Å; E26-N30 PolarHBondContact O-ND2 3.42Å
27	K	80.6	Confident	72.3	Confident	153 Å²	153	97.8 Å²	97.8	67%	0.665	49%	0.489	S	S	*	.	H	α-helix	trans	-63.6	-38.3	175.8	-73.7	-175.9	179.4	179	0	111.8	D25 N30 N31	D25-K27 PolarHBondContact O-N 3.44Å; D25-K27 PolarHBondContact OD1-N 3.49Å; K27-N30 PolarHBondContact O-N 3.48Å; K27-N31 PolarHBondContact O-N 2.95Å; K27-N31 PolarHBondContact O-ND2 3.34Å; K27-N31 PolarHBondContact O-OD1 3.28Å
28	Y	84	Confident	74.8	Confident	124 Å²	124	94.8 Å²	94.8	49%	0.486	47%	0.474	S	S	.	.	H	α-helix	trans	-71.1	-39.2	178.2	-174.2	-118.4	0	0	0	111.6	M24 D25 E26 N31 I32	M24-Y28 HydrophobicContact CE-CD1 3.35Å; M24-Y28 HydrophobicContact CE-CE1 3.59Å; M24-Y28 HydrophobicContact CE-CG 4.46Å; D25-Y28 WeakPolarHBondContact O-CB 3.27Å; D25-Y28 PolarHBondContact O-N 2.95Å; E26-Y28 VanDerWaalsContact C-N 3.3Å; E26-Y28 PolarHBondContact O-N 3.42Å; Y28-N31 PolarHBondContact O-N 3.29Å; Y28-I32 HydrophobicContact CD1-CD1 3.89Å; Y28-I32 HydrophobicContact CE1-CD1 3.51Å; Y28-I32 HydrophobicContact CE2-CD1 4.26Å; Y28-I32 HydrophobicContact CG-CD1 4.4Å; Y28-I32 WeakPolarHBondContact O-CG1 3.28Å; Y28-I32 PolarHBondContact O-N 3.12Å
29	V	85.7	Confident	77.3	Confident	2 Å²	2	84 Å²	84	1%	0.012	44%	0.435	C	S	.	.	H	α-helix	trans	-62.1	-41.8	173.3	178.2	0	0	0	0	111.5	M24 D25 E26 I32 W33 M63 H68 K71	M24-V29 HydrophobicContact CB-CG2 3.68Å; M24-V29 HydrophobicContact CE-CG2 3.76Å; M24-V29 HydrophobicContact SD-CG2 4.19Å; D25-V29 PolarHBondContact O-N 3.47Å; E26-V29 PolarHBondContact O-N 3.41Å; V29-I32 PolarHBondContact O-N 3.2Å; V29-W33 WeakPolarHBondContact O-CB 3.27Å; V29-W33 PolarHBondContact O-N 3.36Å; V29-M63 HydrophobicContact CG1-CE 4.06Å; V29-H68 HydrophobicContact CG1-CB 4.28Å; V29-K71 HydrophobicContact CG1-CD 4.47Å
30	N	88.1	Confident	80	Confident	60 Å²	60	79.6 Å²	79.6	32%	0.321	40%	0.398	S	S	.	.	H	α-helix	trans	-63.7	-45.6	175.8	-72.3	-25	0	0	0	111.9	E26 K27 I32 W33 D34 K71	E26-N30 WeakPolarHBondContact O-CB 3.28Å; E26-N30 VanDerWaalsContact O-CG 3.27Å; E26-N30 PolarHBondContact O-N 2.62Å; E26-N30 PolarHBondContact O-ND2 3.42Å; K27-N30 PolarHBondContact O-N 3.48Å; N30-I32 VanDerWaalsContact C-N 3.31Å; N30-I32 PolarHBondContact O-N 2.94Å; N30-W33 PolarHBondContact O-N 3.45Å; N30-W33 VanDerWaalsContact O-N 3.15Å; N30-D34 PolarHBondContact O-N 2.98Å; N30-K71 PolarHBondContact OD1-NZ 3.04Å
31	N	89.2	Confident	82.5	Confident	104 Å²	104	72.6 Å²	72.6	56%	0.556	37%	0.368	S	S	*	.	H	α-helix	trans	-60.6	-40.6	177.7	-69.3	-14.1	0	0	0	112.3	K27 Y28 L35	K27-N31 PolarHBondContact O-N 2.95Å; K27-N31 PolarHBondContact O-ND2 3.34Å; K27-N31 PolarHBondContact O-OD1 3.28Å; Y28-N31 PolarHBondContact O-N 3.29Å; N31-L35 WeakPolarHBondContact O-CB 3.35Å; N31-L35 PolarHBondContact O-N 3.04Å; N31-L35 VanDerWaalsContact O-N 3.13Å
32	I	89.6	Confident	84.7	Confident	8 Å²	8	69.9 Å²	69.9	4%	0.041	35%	0.346	C	S	.	.	H	α-helix	trans	-65.6	-43.6	175.9	-68.1	167.3	0	0	0	110.6	M24 Y28 V29 N30 L35 L36 N59 M63	M24-I32 HydrophobicContact CE-CD1 3.53Å; Y28-I32 HydrophobicContact CD1-CD1 3.89Å; Y28-I32 HydrophobicContact CE1-CD1 3.51Å; Y28-I32 HydrophobicContact CE2-CD1 4.26Å; Y28-I32 HydrophobicContact CG-CD1 4.4Å; Y28-I32 WeakPolarHBondContact O-CG1 3.28Å; Y28-I32 PolarHBondContact O-N 3.12Å; V29-I32 PolarHBondContact O-N 3.2Å; N30-I32 VanDerWaalsContact C-N 3.31Å; N30-I32 PolarHBondContact O-N 2.94Å; I32-L35 PolarHBondContact O-N 3.41Å; I32-L36 HydrophobicContact CG2-CD1 4.05Å; I32-L36 HydrophobicContact CG2-CG 4.46Å; I32-L36 WeakPolarHBondContact O-CG 3.42Å; I32-L36 PolarHBondContact O-N 3.23Å; I32-N59 HydrophobicContact CG2-CB 3.76Å; I32-M63 HydrophobicContact CB-CG 4.42Å; I32-M63 HydrophobicContact CB-SD 4.37Å; I32-M63 HydrophobicContact CG2-CG 3.73Å; I32-M63 HydrophobicContact CG2-SD 3.7Å
33	W	93.1	Very high	86.7	Confident	24 Å²	24	61.2 Å²	61.2	9%	0.091	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-44.5	176.5	171.3	-115.7	0	0	0	112.2	V29 N30 L35 L36 K37 M63 L72 G75 L76 V79	V29-W33 WeakPolarHBondContact O-CB 3.27Å; V29-W33 PolarHBondContact O-N 3.36Å; N30-W33 PolarHBondContact O-N 3.45Å; N30-W33 VanDerWaalsContact O-N 3.15Å; W33-L35 VanDerWaalsContact C-N 3.27Å; W33-L35 PolarHBondContact O-N 3.06Å; W33-L36 HydrophobicContact CE3-CB 4.34Å; W33-L36 PolarHBondContact O-N 3.37Å; W33-K37 HydrophobicContact CH2-CB 4.34Å; W33-K37 HydrophobicContact CZ2-CB 4.07Å; W33-K37 HydrophobicContact CZ2-CD 4.33Å; W33-K37 HydrophobicContact CZ2-CG 4.5Å; W33-K37 VanDerWaalsContact O-CB 3.28Å; W33-K37 WeakPolarHBondContact O-CB 3.43Å; W33-K37 PolarHBondContact O-N 2.65Å; W33-M63 HydrophobicContact CB-CE 4.16Å; W33-M63 HydrophobicContact CB-SD 4.44Å; W33-L72 HydrophobicContact CE3-CD1 3.76Å; W33-L72 HydrophobicContact CZ3-CD1 3.69Å; W33-G75 VanDerWaalsContact CH2-CA 3.47Å; W33-G75 WeakPolarHBondContact CH2-O 3.18Å; W33-L76 VanDerWaalsContact CH2-N 3.34Å; W33-V79 HydrophobicContact CH2-CG2 4.11Å; W33-V79 HydrophobicContact CZ2-CG2 3.92Å
34	D	91.4	Very high	88.2	Confident	79 Å²	79	56.4 Å²	56.4	42%	0.422	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-38.2	178.3	-70.7	-28.9	0	0	0	111.5	N30 K37 N38	N30-D34 PolarHBondContact O-N 2.98Å; D34-K37 PolarHBondContact O-N 2.9Å; D34-N38 WeakPolarHBondContact O-CB 3.43Å; D34-N38 PolarHBondContact O-N 3.18Å; D34-N38 PolarHBondContact O-ND2 3.46Å; D34-N38 VanDerWaalsContact O-ND2 3.14Å
35	L	92.1	Very high	89.3	Confident	71 Å²	71	62.3 Å²	62.3	37%	0.372	29%	0.293	S	S	.	.	H	α-helix	trans	-65.5	-44.6	174.9	-166.9	153.1	0	0	0	111.6	N31 I32 W33 A39 L56	N31-L35 WeakPolarHBondContact O-CB 3.35Å; N31-L35 PolarHBondContact O-N 3.04Å; N31-L35 VanDerWaalsContact O-N 3.13Å; I32-L35 PolarHBondContact O-N 3.41Å; W33-L35 VanDerWaalsContact C-N 3.27Å; W33-L35 PolarHBondContact O-N 3.06Å; L35-A39 WeakPolarHBondContact O-CB 3.5Å; L35-A39 PolarHBondContact O-N 2.96Å; L35-L56 HydrophobicContact CD2-CD2 3.36Å
36	L	92.4	Very high	89.9	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-65.4	-41.9	175.5	-70.2	172.4	0	0	0	112.1	I32 W33 A39 I40 L56 N59 A60 M63 L72 I121	I32-L36 HydrophobicContact CG2-CD1 4.05Å; I32-L36 HydrophobicContact CG2-CG 4.46Å; I32-L36 WeakPolarHBondContact O-CG 3.42Å; I32-L36 PolarHBondContact O-N 3.23Å; W33-L36 HydrophobicContact CE3-CB 4.34Å; W33-L36 PolarHBondContact O-N 3.37Å; L36-A39 PolarHBondContact O-N 3.15Å; L36-I40 VanDerWaalsContact O-CG1 3.26Å; L36-I40 WeakPolarHBondContact O-CG1 3.39Å; L36-I40 PolarHBondContact O-N 2.84Å; L36-L56 HydrophobicContact CD2-CB 4.26Å; L36-L56 HydrophobicContact CD2-CD2 4.02Å; L36-L56 WeakPolarHBondContact CD2-O 3.32Å; L36-N59 HydrophobicContact CD2-CB 4.31Å; L36-A60 HydrophobicContact CD1-CB 4.19Å; L36-A60 HydrophobicContact CD2-CB 4.35Å; L36-M63 HydrophobicContact CD1-SD 3.68Å; L36-L72 HydrophobicContact CD1-CD1 3.78Å; L36-I121 HydrophobicContact CD2-CG2 4.24Å
37	K	93.6	Very high	90.4	Very high	64 Å²	64	60.3 Å²	60.3	28%	0.278	28%	0.281	S	S	.	.	H	α-helix	trans	-59	-48.6	176	172.4	169.7	179.8	177.1	0	111	W33 D34 A39 I40 Q41 V79	W33-K37 HydrophobicContact CH2-CB 4.34Å; W33-K37 HydrophobicContact CZ2-CB 4.07Å; W33-K37 HydrophobicContact CZ2-CD 4.33Å; W33-K37 HydrophobicContact CZ2-CG 4.5Å; W33-K37 VanDerWaalsContact O-CB 3.28Å; W33-K37 WeakPolarHBondContact O-CB 3.43Å; W33-K37 PolarHBondContact O-N 2.65Å; D34-K37 PolarHBondContact O-N 2.9Å; K37-A39 VanDerWaalsContact C-N 3.34Å; K37-A39 PolarHBondContact O-N 3.34Å; K37-I40 PolarHBondContact O-N 3.22Å; K37-Q41 WeakPolarHBondContact O-CG 3.42Å; K37-Q41 PolarHBondContact O-N 3.46Å; K37-V79 HydrophobicContact CB-CG2 4.44Å; K37-V79 HydrophobicContact CD-CG2 3.9Å; K37-V79 HydrophobicContact CG-CG2 3.7Å
38	N	92.3	Very high	90.7	Very high	91 Å²	91	55.9 Å²	55.9	49%	0.487	27%	0.265	S	S	.	.	H	α-helix	trans	-61.2	-43.4	176.8	-71.6	-26.7	0	0	0	111.4	D34 I40 Q41 E42	D34-N38 WeakPolarHBondContact O-CB 3.43Å; D34-N38 PolarHBondContact O-N 3.18Å; D34-N38 PolarHBondContact O-ND2 3.46Å; D34-N38 VanDerWaalsContact O-ND2 3.14Å; N38-I40 PolarHBondContact O-N 3.3Å; N38-Q41 PolarHBondContact O-N 3.49Å; N38-E42 WeakPolarHBondContact O-CG 3.36Å; N38-E42 PolarHBondContact O-N 2.98Å
39	A	92.3	Very high	90.6	Very high	5 Å²	5	55.2 Å²	55.2	4%	0.041	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-42	177.1	0	0	0	0	0	112.7	L35 L36 K37 Q41 E42 I43 L51 L56	L35-A39 WeakPolarHBondContact O-CB 3.5Å; L35-A39 PolarHBondContact O-N 2.96Å; L36-A39 PolarHBondContact O-N 3.15Å; K37-A39 VanDerWaalsContact C-N 3.34Å; K37-A39 PolarHBondContact O-N 3.34Å; A39-Q41 VanDerWaalsContact C-N 3.34Å; A39-Q41 PolarHBondContact O-N 2.94Å; A39-E42 PolarHBondContact O-N 3.44Å; A39-I43 VanDerWaalsContact O-CG1 3.3Å; A39-I43 WeakPolarHBondContact O-CG1 3.48Å; A39-I43 PolarHBondContact O-N 2.82Å; A39-L51 HydrophobicContact CB-CD1 4.27Å; A39-L51 HydrophobicContact CB-CD2 3.98Å; A39-L56 HydrophobicContact CB-CD1 3.66Å; A39-L56 HydrophobicContact CB-CD2 3.53Å; A39-L56 HydrophobicContact CB-CG 4.27Å
40	I	93.5	Very high	90.4	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-60.5	-44.1	174.9	-69	162.6	0	0	0	110.5	L36 K37 N38 I43 Q44 L76 V79 I118	L36-I40 VanDerWaalsContact O-CG1 3.26Å; L36-I40 WeakPolarHBondContact O-CG1 3.39Å; L36-I40 PolarHBondContact O-N 2.84Å; K37-I40 PolarHBondContact O-N 3.22Å; N38-I40 PolarHBondContact O-N 3.3Å; I40-I43 PolarHBondContact O-N 3.4Å; I40-Q44 WeakPolarHBondContact O-CG 3.41Å; I40-Q44 PolarHBondContact O-N 2.93Å; I40-L76 HydrophobicContact CD1-CD1 3.91Å; I40-V79 HydrophobicContact CB-CG1 4.31Å; I40-V79 HydrophobicContact CG2-CG1 3.68Å; I40-I118 HydrophobicContact CG1-CG1 4.38Å; I40-I118 HydrophobicContact CG1-CG2 4.41Å; I40-I118 HydrophobicContact CG2-CD1 3.88Å; I40-I118 HydrophobicContact CG2-CG1 4.36Å
41	Q	93.3	Very high	90.5	Very high	40 Å²	40	57.8 Å²	57.8	19%	0.187	31%	0.309	C	S	.	.	H	α-helix	trans	-64.3	-40.4	177.3	-71.5	179.5	-19.1	0	0	112.4	K37 N38 A39 Q44 R45 V79	K37-Q41 WeakPolarHBondContact O-CG 3.42Å; K37-Q41 PolarHBondContact O-N 3.46Å; N38-Q41 PolarHBondContact O-N 3.49Å; A39-Q41 VanDerWaalsContact C-N 3.34Å; A39-Q41 PolarHBondContact O-N 2.94Å; Q41-Q44 PolarHBondContact O-N 3.45Å; Q41-R45 WeakPolarHBondContact O-CB 3.38Å; Q41-R45 VanDerWaalsContact O-CG 3.27Å; Q41-R45 WeakPolarHBondContact O-CG 3.2Å; Q41-R45 PolarHBondContact O-N 3.5Å; Q41-V79 HydrophobicContact CG-CG1 3.86Å
42	E	92.8	Very high	90.6	Very high	47 Å²	47	55.6 Å²	55.6	22%	0.22	30%	0.302	C	S	.	.	H	α-helix	trans	-67.1	-37.2	176.4	-70.8	-56.3	115.8	0	0	111.9	N38 A39 R45 K46 N47 L51	N38-E42 WeakPolarHBondContact O-CG 3.36Å; N38-E42 PolarHBondContact O-N 2.98Å; A39-E42 PolarHBondContact O-N 3.44Å; E42-R45 CarbonylContact O-C 3.23Å; E42-R45 PolarHBondContact O-N 3.15Å; E42-R45 IonicContact OE1-CZ 3.92Å; E42-R45 IonicContact OE1-NH1 2.88Å; E42-R45 PolarHBondContact OE1-NH1 3.21Å; E42-K46 PolarHBondContact O-N 3.14Å; E42-N47 PolarHBondContact O-N 2.84Å; E42-N47 WeakPolarHBondContact OE2-CB 3.25Å; E42-N47 PolarHBondContact OE2-ND2 2.91Å; E42-L51 HydrophobicContact CB-CD1 4.35Å
43	I	92.9	Very high	90.6	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-60.9	-46.6	171.6	-71.6	166	0	0	0	110.9	A39 I40 R45 K46 N48 L51 A114 M117 I118 I121	A39-I43 VanDerWaalsContact O-CG1 3.3Å; A39-I43 WeakPolarHBondContact O-CG1 3.48Å; A39-I43 PolarHBondContact O-N 2.82Å; I40-I43 PolarHBondContact O-N 3.4Å; I43-R45 VanDerWaalsContact C-N 3.26Å; I43-R45 PolarHBondContact O-N 3.05Å; I43-K46 PolarHBondContact O-N 3.27Å; I43-N48 HydrophobicContact CG1-CB 4.36Å; I43-L51 HydrophobicContact CD1-CD1 4.14Å; I43-L51 HydrophobicContact CG1-CD1 3.67Å; I43-A114 HydrophobicContact CG2-CB 3.97Å; I43-M117 HydrophobicContact CD1-CB 4.3Å; I43-M117 HydrophobicContact CG2-CB 4.04Å; I43-M117 HydrophobicContact CG2-CE 3.7Å; I43-M117 HydrophobicContact CG2-SD 4.28Å; I43-I118 HydrophobicContact CD1-CG1 4.32Å; I43-I118 HydrophobicContact CG2-CD1 4.43Å; I43-I118 HydrophobicContact CG2-CG1 4.16Å; I43-I121 HydrophobicContact CD1-CD1 3.43Å; I43-I121 VanDerWaalsContact CD1-CD1 3.43Å
44	Q	91.5	Very high	90.5	Very high	18 Å²	18	65.5 Å²	65.5	8%	0.084	35%	0.348	C	S	.	.	H	α-helix	trans	-64	-30.3	177.3	-72.6	174.3	-34	0	0	112.8	I40 Q41 K46	I40-Q44 WeakPolarHBondContact O-CG 3.41Å; I40-Q44 PolarHBondContact O-N 2.93Å; Q41-Q44 PolarHBondContact O-N 3.45Å; Q44-K46 PolarHBondContact O-N 3.48Å
45	R	90.9	Very high	90.4	Very high	154 Å²	154	66 Å²	66	58%	0.581	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	2.5	173	-69.8	171.8	-176.8	161	1.2	113.9	Q41 E42 I43 N47	Q41-R45 WeakPolarHBondContact O-CB 3.38Å; Q41-R45 VanDerWaalsContact O-CG 3.27Å; Q41-R45 WeakPolarHBondContact O-CG 3.2Å; Q41-R45 PolarHBondContact O-N 3.5Å; E42-R45 CarbonylContact O-C 3.23Å; E42-R45 PolarHBondContact O-N 3.15Å; E42-R45 IonicContact OE1-CZ 3.92Å; E42-R45 IonicContact OE1-NH1 2.88Å; E42-R45 PolarHBondContact OE1-NH1 3.21Å; I43-R45 VanDerWaalsContact C-N 3.26Å; I43-R45 PolarHBondContact O-N 3.05Å; R45-N47 PolarHBondContact O-N 2.94Å
46	K	90.1	Very high	90.4	Very high	127 Å²	127	62.9 Å²	62.9	55%	0.552	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	26	-174.9	-54	176.7	177.2	-179.9	0	114	E42 I43 Q44 D110	E42-K46 PolarHBondContact O-N 3.14Å; I43-K46 PolarHBondContact O-N 3.27Å; Q44-K46 PolarHBondContact O-N 3.48Å; K46-D110 WeakPolarHBondContact CE-OD1 3.28Å; K46-D110 WeakPolarHBondContact CE-OD2 3.4Å; K46-D110 IonicContact NZ-OD1 3.38Å; K46-D110 PolarHBondContact NZ-OD1 3.3Å; K46-D110 IonicContact NZ-OD2 3.57Å; K46-D110 PolarHBondContact NZ-OD2 3.46Å
47	N	89.9	Confident	90.5	Very high	88 Å²	88	66.3 Å²	66.3	47%	0.471	35%	0.345	S	S	.	.			trans	-109.5	61.8	178.9	-169.7	25	0	0	0	111.2	E42 R45	E42-N47 PolarHBondContact O-N 2.84Å; E42-N47 WeakPolarHBondContact OE2-CB 3.25Å; E42-N47 PolarHBondContact OE2-ND2 2.91Å; R45-N47 PolarHBondContact O-N 2.94Å
48	N	85.4	Confident	90.3	Very high	59 Å²	59	70.7 Å²	70.7	32%	0.316	36%	0.36	S	S	.	.			trans	-96.6	-3.2	-172	58.8	5.3	0	0	0	114.8	I43 G50 L51 M117	I43-N48 HydrophobicContact CG1-CB 4.36Å; N48-G50 VanDerWaalsContact C-N 3.29Å; N48-G50 PolarHBondContact O-N 3.34Å; N48-L51 HydrophobicContact CB-CD1 4.29Å; N48-L51 PolarHBondContact O-N 2.81Å; N48-M117 HydrophobicContact CB-SD 4.42Å; N48-M117 PolarHBondContact ND2-SD 3.3Å
49	S	83.1	Confident	90.2	Very high	110 Å²	110	67.1 Å²	67.1	77%	0.769	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-25.2	-173.2	55	0	0	0	0	114.4
50	G	81.6	Confident	90.1	Very high	73 Å²	73	67 Å²	67	75%	0.753	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	2.2	178.7	0	0	0	0	0	115.2	N48	N48-G50 VanDerWaalsContact C-N 3.29Å; N48-G50 PolarHBondContact O-N 3.34Å
51	L	89.6	Confident	90	Very high	44 Å²	44	70.7 Å²	70.7	23%	0.23	35%	0.354	C	S	.	.			trans	-93.2	131.3	-172.9	-61.5	178	0	0	0	112.1	A39 E42 I43 N48 F53 L56	A39-L51 HydrophobicContact CB-CD1 4.27Å; A39-L51 HydrophobicContact CB-CD2 3.98Å; E42-L51 HydrophobicContact CB-CD1 4.35Å; I43-L51 HydrophobicContact CD1-CD1 4.14Å; I43-L51 HydrophobicContact CG1-CD1 3.67Å; N48-L51 HydrophobicContact CB-CD1 4.29Å; N48-L51 PolarHBondContact O-N 2.81Å; L51-F53 HydrophobicContact CB-CE2 4.48Å; L51-F53 PolarHBondContact O-N 3.22Å; L51-L56 HydrophobicContact CB-CD1 4.03Å; L51-L56 HydrophobicContact CD2-CD1 4.42Å
52	S	91.8	Very high	89.9	Confident	58 Å²	58	70.3 Å²	70.3	41%	0.406	35%	0.354	S	S	.	.			trans	-88.2	98.3	169.5	178.7	0	0	0	0	110.5	E54 E55 L56	S52-E54 VanDerWaalsContact C-N 3.25Å; S52-E54 PolarHBondContact O-N 2.9Å; S52-E55 PolarHBondContact O-N 3.47Å; S52-E55 WeakPolarHBondContact OG-CB 3.33Å; S52-E55 PolarHBondContact OG-N 2.84Å; S52-L56 VanDerWaalsContact O-CG 3.27Å; S52-L56 WeakPolarHBondContact O-CG 3.16Å; S52-L56 PolarHBondContact O-N 3.33Å
53	F	90	Very high	89.7	Confident	76 Å²	76	68 Å²	68	33%	0.333	34%	0.344	S	S	.	.	H	α-helix	trans	-59.9	-33.7	-179.4	-80	-98.3	0	0	0	113.2	L51 Y57 M117 I121	L51-F53 HydrophobicContact CB-CE2 4.48Å; L51-F53 PolarHBondContact O-N 3.22Å; F53-Y57 VanDerWaalsContact O-CB 3.24Å; F53-Y57 WeakPolarHBondContact O-CB 3.48Å; F53-Y57 PolarHBondContact O-N 2.88Å; F53-M117 HydrophobicContact CE1-CB 4.08Å; F53-M117 HydrophobicContact CE1-CG 4.39Å; F53-M117 HydrophobicContact CZ-CB 4.37Å; F53-M117 HydrophobicContact CZ-CG 4.35Å; F53-M117 HydrophobicContact CZ-SD 4.07Å; F53-I121 HydrophobicContact CD1-CD1 3.88Å; F53-I121 HydrophobicContact CD1-CG1 3.56Å; F53-I121 HydrophobicContact CE1-CD1 3.78Å; F53-I121 HydrophobicContact CE1-CG1 3.9Å
54	E	90.1	Very high	89.5	Confident	163 Å²	163	68.5 Å²	68.5	76%	0.762	35%	0.347	S	S	*	.	H	α-helix	trans	-66.3	-43.9	176.3	-173.6	-174	171.1	0	0	111.7	S52 Y57 R58	S52-E54 VanDerWaalsContact C-N 3.25Å; S52-E54 PolarHBondContact O-N 2.9Å; E54-Y57 PolarHBondContact O-N 2.92Å; E54-R58 WeakPolarHBondContact O-CB 3.47Å; E54-R58 PolarHBondContact O-N 2.92Å
55	E	90.3	Very high	89.4	Confident	89 Å²	89	71.9 Å²	71.9	42%	0.416	37%	0.365	S	S	.	.	H	α-helix	trans	-66.6	-44.7	178.6	-174.4	176.5	-179.7	0	0	111.2	S52 Y57 R58 N59	S52-E55 PolarHBondContact O-N 3.47Å; S52-E55 WeakPolarHBondContact OG-CB 3.33Å; S52-E55 PolarHBondContact OG-N 2.84Å; E55-Y57 VanDerWaalsContact C-N 3.34Å; E55-Y57 PolarHBondContact O-N 3.47Å; E55-R58 PolarHBondContact O-N 3.45Å; E55-N59 WeakPolarHBondContact O-CB 3.46Å; E55-N59 VanDerWaalsContact O-CG 3.23Å; E55-N59 PolarHBondContact O-N 3.46Å; E55-N59 PolarHBondContact O-ND2 2.83Å
56	L	92	Very high	89.3	Confident	7 Å²	7	67.6 Å²	67.6	4%	0.037	35%	0.351	C	S	.	.	H	α-helix	trans	-61.1	-43	176.1	-65.9	170.1	0	0	0	111.4	L35 L36 A39 L51 S52 N59 A60 I121	L35-L56 HydrophobicContact CD2-CD2 3.36Å; L36-L56 HydrophobicContact CD2-CB 4.26Å; L36-L56 HydrophobicContact CD2-CD2 4.02Å; L36-L56 WeakPolarHBondContact CD2-O 3.32Å; A39-L56 HydrophobicContact CB-CD1 3.66Å; A39-L56 HydrophobicContact CB-CD2 3.53Å; A39-L56 HydrophobicContact CB-CG 4.27Å; L51-L56 HydrophobicContact CB-CD1 4.03Å; L51-L56 HydrophobicContact CD2-CD1 4.42Å; S52-L56 VanDerWaalsContact O-CG 3.27Å; S52-L56 WeakPolarHBondContact O-CG 3.16Å; S52-L56 PolarHBondContact O-N 3.33Å; L56-N59 WeakPolarHBondContact O-CB 3.29Å; L56-N59 PolarHBondContact O-N 2.82Å; L56-A60 WeakPolarHBondContact O-CB 3.45Å; L56-A60 PolarHBondContact O-N 3.19Å; L56-I121 HydrophobicContact CB-CD1 4.41Å; L56-I121 HydrophobicContact CB-CG1 4.3Å; L56-I121 HydrophobicContact CB-CG2 3.75Å; L56-I121 HydrophobicContact CD1-CD1 3.93Å
57	Y	92.9	Very high	89.2	Confident	74 Å²	74	71 Å²	71	29%	0.29	37%	0.366	S	S	.	.	H	α-helix	trans	-61.4	-45.4	174.1	172.6	-95	0	0	0	112	F53 E54 E55 N59 A60 Y61 I121 M123	F53-Y57 VanDerWaalsContact O-CB 3.24Å; F53-Y57 WeakPolarHBondContact O-CB 3.48Å; F53-Y57 PolarHBondContact O-N 2.88Å; E54-Y57 PolarHBondContact O-N 2.92Å; E55-Y57 VanDerWaalsContact C-N 3.34Å; E55-Y57 PolarHBondContact O-N 3.47Å; Y57-N59 VanDerWaalsContact C-N 3.29Å; Y57-N59 PolarHBondContact O-N 3.43Å; Y57-A60 PolarHBondContact O-N 3.47Å; Y57-Y61 VanDerWaalsContact O-CB 3.27Å; Y57-Y61 WeakPolarHBondContact O-CB 3.38Å; Y57-Y61 PolarHBondContact O-N 3.36Å; Y57-I121 WeakPolarHBondContact CD2-O 3.27Å; Y57-M123 HydrophobicContact CE2-CB 4.15Å
58	R	90.2	Very high	89.2	Confident	156 Å²	156	69.2 Å²	69.2	59%	0.589	36%	0.355	S	S	*	.	H	α-helix	trans	-62.2	-38.3	178.1	-172.1	177.7	68.8	179.4	-1.1	111.9	E54 E55 T62	E54-R58 WeakPolarHBondContact O-CB 3.47Å; E54-R58 PolarHBondContact O-N 2.92Å; E55-R58 PolarHBondContact O-N 3.45Å; R58-T62 WeakPolarHBondContact O-CB 3.39Å; R58-T62 PolarHBondContact O-N 3.04Å; R58-T62 PolarHBondContact O-OG1 2.73Å
59	N	91.1	Very high	89.3	Confident	16 Å²	16	66.5 Å²	66.5	9%	0.086	34%	0.341	C	S	.	.	H	α-helix	trans	-65	-48.1	176.2	-77.8	-14.9	0	0	0	111.5	I32 L36 E55 L56 Y57 T62 M63	I32-N59 HydrophobicContact CG2-CB 3.76Å; L36-N59 HydrophobicContact CD2-CB 4.31Å; E55-N59 WeakPolarHBondContact O-CB 3.46Å; E55-N59 VanDerWaalsContact O-CG 3.23Å; E55-N59 PolarHBondContact O-N 3.46Å; E55-N59 PolarHBondContact O-ND2 2.83Å; L56-N59 WeakPolarHBondContact O-CB 3.29Å; L56-N59 PolarHBondContact O-N 2.82Å; Y57-N59 VanDerWaalsContact C-N 3.29Å; Y57-N59 PolarHBondContact O-N 3.43Å; N59-T62 PolarHBondContact O-N 3.05Å; N59-M63 PolarHBondContact O-N 2.86Å; N59-M63 VanDerWaalsContact O-N 3.1Å
60	A	89.9	Confident	89.7	Confident	3 Å²	3	67.6 Å²	67.6	3%	0.025	33%	0.334	C	S	.	.	H	α-helix	trans	-62.4	-42.4	174.3	0	0	0	0	0	112.4	L36 L56 Y57 T62 M63 V64 L72 L122	L36-A60 HydrophobicContact CD1-CB 4.19Å; L36-A60 HydrophobicContact CD2-CB 4.35Å; L56-A60 WeakPolarHBondContact O-CB 3.45Å; L56-A60 PolarHBondContact O-N 3.19Å; Y57-A60 PolarHBondContact O-N 3.47Å; A60-T62 VanDerWaalsContact C-N 3.33Å; A60-T62 PolarHBondContact O-N 2.9Å; A60-M63 PolarHBondContact O-N 3.41Å; A60-V64 WeakPolarHBondContact O-CG2 3.34Å; A60-V64 PolarHBondContact O-N 3.38Å; A60-V64 VanDerWaalsContact O-N 3.12Å; A60-L72 HydrophobicContact CB-CD2 4.28Å; A60-L122 HydrophobicContact CB-CD2 3.62Å
61	Y	91.1	Very high	90.2	Very high	80 Å²	80	68 Å²	68	31%	0.314	32%	0.315	S	S	.	.	H	α-helix	trans	-55.9	-46.8	173.6	173.2	-89.2	0	0	0	111.5	Y57 M63 V64 L65 Y124	Y57-Y61 VanDerWaalsContact O-CB 3.27Å; Y57-Y61 WeakPolarHBondContact O-CB 3.38Å; Y57-Y61 PolarHBondContact O-N 3.36Å; Y61-M63 PolarHBondContact O-N 2.97Å; Y61-V64 PolarHBondContact O-N 2.88Å; Y61-L65 HydrophobicContact CE1-CB 4.43Å; Y61-L65 HydrophobicContact CE1-CD2 3.84Å; Y61-L65 VanDerWaalsContact O-CB 3.29Å; Y61-L65 WeakPolarHBondContact O-CB 3.37Å; Y61-L65 PolarHBondContact O-N 2.82Å; Y61-Y124 AromaticContact CD2-CD1 3.48Å; Y61-Y124 HydrophobicContact CD2-CD1 3.48Å; Y61-Y124 VanDerWaalsContact CD2-CD1 3.48Å; Y61-Y124 AromaticContact CD2-CD2 3.58Å; Y61-Y124 HydrophobicContact CD2-CD2 3.58Å; Y61-Y124 AromaticContact CD2-CE1 3.65Å; Y61-Y124 HydrophobicContact CD2-CE1 3.65Å; Y61-Y124 AromaticContact CD2-CE2 3.76Å; Y61-Y124 HydrophobicContact CD2-CE2 3.76Å; Y61-Y124 AromaticContact CD2-CG 3.44Å; Y61-Y124 HydrophobicContact CD2-CG 3.44Å; Y61-Y124 VanDerWaalsContact CD2-CG 3.44Å; Y61-Y124 AromaticContact CD2-CZ 3.78Å; Y61-Y124 HydrophobicContact CE2-CD1 4.02Å; Y61-Y124 AromaticContact CE2-CD2 3.76Å; Y61-Y124 HydrophobicContact CE2-CD2 3.76Å; Y61-Y124 AromaticContact CE2-CE1 3.71Å; Y61-Y124 HydrophobicContact CE2-CE1 3.71Å; Y61-Y124 AromaticContact CE2-CE2 3.44Å; Y61-Y124 HydrophobicContact CE2-CE2 3.44Å; Y61-Y124 VanDerWaalsContact CE2-CE2 3.44Å; Y61-Y124 HydrophobicContact CE2-CG 4.04Å; Y61-Y124 AromaticContact CE2-CZ 3.4Å; Y61-Y124 HydrophobicContact CG-CD1 4.17Å; Y61-Y124 HydrophobicContact CG-CE1 4.42Å; Y61-Y124 HydrophobicContact CG-CG 4.38Å
62	T	90.1	Very high	90.3	Very high	32 Å²	32	65.9 Å²	65.9	20%	0.196	30%	0.304	C	S	.	.	H	α-helix	trans	-62.8	-43.6	-179.7	-56.3	0	0	0	0	111.2	M24 R58 N59 A60 V64 L65 H66	M24-T62 HydrophobicContact CE-CG2 4.05Å; M24-T62 HydrophobicContact SD-CG2 3.95Å; R58-T62 WeakPolarHBondContact O-CB 3.39Å; R58-T62 PolarHBondContact O-N 3.04Å; R58-T62 PolarHBondContact O-OG1 2.73Å; N59-T62 PolarHBondContact O-N 3.05Å; A60-T62 VanDerWaalsContact C-N 3.33Å; A60-T62 PolarHBondContact O-N 2.9Å; T62-V64 PolarHBondContact O-N 3.19Å; T62-L65 PolarHBondContact O-N 2.99Å; T62-H66 PolarHBondContact O-CD2 3.3Å; T62-H66 VanDerWaalsContact O-CD2 3.3Å; T62-H66 PolarHBondContact O-N 2.76Å; T62-H66 VanDerWaalsContact O-N 3.12Å
63	M	89.3	Confident	90.4	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-45.1	176.4	-73.2	-171.4	71.2	0	0	112.5	V29 I32 W33 L36 N59 A60 Y61 H68 L72	V29-M63 HydrophobicContact CG1-CE 4.06Å; I32-M63 HydrophobicContact CB-CG 4.42Å; I32-M63 HydrophobicContact CB-SD 4.37Å; I32-M63 HydrophobicContact CG2-CG 3.73Å; I32-M63 HydrophobicContact CG2-SD 3.7Å; W33-M63 HydrophobicContact CB-CE 4.16Å; W33-M63 HydrophobicContact CB-SD 4.44Å; L36-M63 HydrophobicContact CD1-SD 3.68Å; N59-M63 PolarHBondContact O-N 2.86Å; N59-M63 VanDerWaalsContact O-N 3.1Å; A60-M63 PolarHBondContact O-N 3.41Å; Y61-M63 PolarHBondContact O-N 2.97Å; M63-H68 HydrophobicContact CB-CB 4.49Å; M63-H68 HydrophobicContact CE-CB 4.38Å; M63-H68 WeakPolarHBondContact O-CA 3.48Å; M63-H68 WeakPolarHBondContact O-CB 3.29Å; M63-H68 PolarHBondContact O-N 3.33Å; M63-L72 HydrophobicContact CB-CD2 4.36Å; M63-L72 HydrophobicContact CE-CB 4.17Å; M63-L72 HydrophobicContact CE-CD1 4.46Å; M63-L72 HydrophobicContact SD-CD1 4.13Å
64	V	89.3	Confident	90.6	Very high	12 Å²	12	63.2 Å²	63.2	7%	0.073	29%	0.289	C	S	.	.	H	α-helix	trans	-69.7	-41.7	180	176.5	0	0	0	0	111.2	A60 Y61 T62 H66 K67 L72 Y124 M125 V128	A60-V64 WeakPolarHBondContact O-CG2 3.34Å; A60-V64 PolarHBondContact O-N 3.38Å; A60-V64 VanDerWaalsContact O-N 3.12Å; Y61-V64 PolarHBondContact O-N 2.88Å; T62-V64 PolarHBondContact O-N 3.19Å; V64-H66 VanDerWaalsContact C-N 3.25Å; V64-H66 PolarHBondContact O-N 3.18Å; V64-K67 PolarHBondContact O-N 3.29Å; V64-K67 VanDerWaalsContact O-N 3.1Å; V64-L72 HydrophobicContact CG2-CD2 3.88Å; V64-Y124 HydrophobicContact CB-CD1 3.8Å; V64-Y124 HydrophobicContact CB-CE1 4.08Å; V64-Y124 HydrophobicContact CG1-CD1 3.76Å; V64-Y124 HydrophobicContact CG1-CE1 3.8Å; V64-M125 HydrophobicContact CG2-CB 3.94Å; V64-M125 HydrophobicContact CG2-CG 4.16Å; V64-V128 HydrophobicContact CG1-CB 4.03Å; V64-V128 HydrophobicContact CG1-CG1 4.21Å
65	L	89.6	Confident	90.8	Very high	88 Å²	88	55.7 Å²	55.7	46%	0.461	26%	0.255	S	S	.	.	H	α-helix	trans	-57.9	-38.6	178	-177	68.7	0	0	0	112.1	Y61 T62 K67	Y61-L65 HydrophobicContact CE1-CB 4.43Å; Y61-L65 HydrophobicContact CE1-CD2 3.84Å; Y61-L65 VanDerWaalsContact O-CB 3.29Å; Y61-L65 WeakPolarHBondContact O-CB 3.37Å; Y61-L65 PolarHBondContact O-N 2.82Å; T62-L65 PolarHBondContact O-N 2.99Å; L65-K67 VanDerWaalsContact C-N 3.29Å; L65-K67 PolarHBondContact O-N 3.18Å
66	H	88.4	Confident	91	Very high	65 Å²	65	51.5 Å²	51.5	30%	0.301	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	25.2	179	-71.8	-79.1	0	0	0	113.8	M24 T62 V64 H68	M24-H66 HydrophobicContact CG-CB 3.9Å; M24-H66 HydrophobicContact SD-CB 3.43Å; M24-H66 WeakPolarHBondContact SD-CB 3.45Å; M24-H66 PolarHBondContact SD-CD2 2.92Å; T62-H66 PolarHBondContact O-CD2 3.3Å; T62-H66 VanDerWaalsContact O-CD2 3.3Å; T62-H66 PolarHBondContact O-N 2.76Å; T62-H66 VanDerWaalsContact O-N 3.12Å; V64-H66 VanDerWaalsContact C-N 3.25Å; V64-H66 PolarHBondContact O-N 3.18Å; H66-H68 VanDerWaalsContact C-N 3.32Å; H66-H68 PolarHBondContact O-CD2 2.9Å; H66-H68 VanDerWaalsContact O-CD2 3.31Å; H66-H68 PolarHBondContact O-N 3.31Å
67	K	88	Confident	91.1	Very high	197 Å²	197	57.9 Å²	57.9	86%	0.857	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	22.1	174.5	-54.7	-171	175.4	-173	0	116	V64 L65	V64-K67 PolarHBondContact O-N 3.29Å; V64-K67 VanDerWaalsContact O-N 3.1Å; L65-K67 VanDerWaalsContact C-N 3.29Å; L65-K67 PolarHBondContact O-N 3.18Å
68	H	89.6	Confident	91.3	Very high	52 Å²	52	60.2 Å²	60.2	24%	0.241	27%	0.272	C	S	.	.			trans	-97.4	25.4	173.5	-64.5	-72.2	0	0	0	113.5	V29 M63 H66 E70 K71 L72	V29-H68 HydrophobicContact CG1-CB 4.28Å; M63-H68 HydrophobicContact CB-CB 4.49Å; M63-H68 HydrophobicContact CE-CB 4.38Å; M63-H68 WeakPolarHBondContact O-CA 3.48Å; M63-H68 WeakPolarHBondContact O-CB 3.29Å; M63-H68 PolarHBondContact O-N 3.33Å; H66-H68 VanDerWaalsContact C-N 3.32Å; H66-H68 PolarHBondContact O-CD2 2.9Å; H66-H68 VanDerWaalsContact O-CD2 3.31Å; H66-H68 PolarHBondContact O-N 3.31Å; H68-E70 PolarHBondContact O-N 3.44Å; H68-K71 PolarHBondContact O-N 3.25Å; H68-L72 PolarHBondContact O-N 2.83Å
69	G	88.1	Confident	91.6	Very high	2 Å²	2	52.9 Å²	52.9	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-35.2	-179.2	0	0	0	0	0	114.2	L72 Y73 Y129	G69-L72 PolarHBondContact O-N 3.39Å; G69-Y73 WeakPolarHBondContact O-CB 3.43Å; G69-Y73 PolarHBondContact O-N 3.48Å; G69-Y129 VanDerWaalsContact C-CE2 3.48Å
70	E	91.4	Very high	91.8	Very high	132 Å²	132	52.2 Å²	52.2	62%	0.617	24%	0.242	S	C	*	.	H	α-helix	trans	-64.7	-44.2	178.9	-177.7	-178.4	-173.6	0	0	112.4	H68 L72 Y73 T74 Y129	H68-E70 PolarHBondContact O-N 3.44Å; E70-L72 VanDerWaalsContact C-N 3.33Å; E70-L72 PolarHBondContact O-N 3.47Å; E70-Y73 PolarHBondContact O-N 3.32Å; E70-T74 WeakPolarHBondContact O-CB 3.42Å; E70-T74 PolarHBondContact O-N 2.9Å; E70-T74 PolarHBondContact O-OG1 3.35Å; E70-Y129 VanDerWaalsContact CA-CZ 3.44Å; E70-Y129 VanDerWaalsContact CA-OH 3.24Å; E70-Y129 WeakPolarHBondContact CA-OH 3.43Å; E70-Y129 HydrophobicContact CB-CE2 3.95Å; E70-Y129 WeakPolarHBondContact CB-OH 3.2Å
71	K	90.6	Very high	92.1	Very high	82 Å²	82	53.5 Å²	53.5	36%	0.357	25%	0.249	S	C	.	.	H	α-helix	trans	-62.6	-41.6	176.1	-176.5	171.6	-178.9	168.7	0	111.4	V29 N30 H68 G75	V29-K71 HydrophobicContact CG1-CD 4.47Å; N30-K71 PolarHBondContact OD1-NZ 3.04Å; H68-K71 PolarHBondContact O-N 3.25Å; K71-G75 PolarHBondContact O-N 2.99Å
72	L	92.3	Very high	92.3	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.6	-44.6	177.5	-177.1	59.8	0	0	0	111.8	W33 L36 A60 M63 V64 H68 G69 E70 L76 L122 M125	W33-L72 HydrophobicContact CE3-CD1 3.76Å; W33-L72 HydrophobicContact CZ3-CD1 3.69Å; L36-L72 HydrophobicContact CD1-CD1 3.78Å; A60-L72 HydrophobicContact CB-CD2 4.28Å; M63-L72 HydrophobicContact CB-CD2 4.36Å; M63-L72 HydrophobicContact CE-CB 4.17Å; M63-L72 HydrophobicContact CE-CD1 4.46Å; M63-L72 HydrophobicContact SD-CD1 4.13Å; V64-L72 HydrophobicContact CG2-CD2 3.88Å; H68-L72 PolarHBondContact O-N 2.83Å; G69-L72 PolarHBondContact O-N 3.39Å; E70-L72 VanDerWaalsContact C-N 3.33Å; E70-L72 PolarHBondContact O-N 3.47Å; L72-L76 VanDerWaalsContact O-CB 3.3Å; L72-L76 WeakPolarHBondContact O-CB 3.26Å; L72-L76 PolarHBondContact O-N 3.37Å; L72-L122 HydrophobicContact CD1-CD2 4.17Å; L72-L122 HydrophobicContact CD2-CD2 4.11Å; L72-L122 HydrophobicContact CG-CD2 4.36Å; L72-M125 HydrophobicContact CB-SD 4.13Å; L72-M125 HydrophobicContact CD2-SD 3.84Å; L72-M125 HydrophobicContact CG-SD 3.71Å
73	Y	94.4	Very high	92.6	Very high	20 Å²	20	54.6 Å²	54.6	8%	0.078	26%	0.255	C	S	.	.	H	α-helix	trans	-66.4	-46	179.3	-170.6	-89.9	0	0	0	112.3	G69 E70 L76 R77 M125 Y129 V130 V135 E136 L141	G69-Y73 WeakPolarHBondContact O-CB 3.43Å; G69-Y73 PolarHBondContact O-N 3.48Å; E70-Y73 PolarHBondContact O-N 3.32Å; Y73-L76 PolarHBondContact O-N 3.05Å; Y73-R77 PolarHBondContact O-N 3.45Å; Y73-M125 HydrophobicContact CD2-CE 3.85Å; Y73-M125 HydrophobicContact CD2-SD 4.17Å; Y73-Y129 HydrophobicContact CD2-CD1 4.26Å; Y73-Y129 HydrophobicContact CD2-CE1 4.16Å; Y73-Y129 HydrophobicContact CG-CD1 4.36Å; Y73-Y129 AromaticContact CG-CE1 3.88Å; Y73-Y129 HydrophobicContact CG-CE1 3.88Å; Y73-V130 HydrophobicContact CD2-CG2 4.29Å; Y73-V130 HydrophobicContact CE2-CG2 4.07Å; Y73-V135 HydrophobicContact CD2-CG2 4.31Å; Y73-V135 HydrophobicContact CE1-CB 4.34Å; Y73-V135 HydrophobicContact CE1-CG2 4.28Å; Y73-V135 HydrophobicContact CE2-CB 4.48Å; Y73-V135 HydrophobicContact CE2-CG2 3.79Å; Y73-E136 WeakPolarHBondContact CE2-O 3.06Å; Y73-E136 PolarHBondContact OH-N 3.02Å; Y73-E136 PolarHBondContact OH-O 2.92Å; Y73-L141 HydrophobicContact CE1-CD2 4.02Å; Y73-L141 HydrophobicContact CE2-CD2 4.03Å
74	T	93.8	Very high	92.9	Very high	58 Å²	58	54.6 Å²	54.6	36%	0.356	26%	0.255	S	S	.	.	H	α-helix	trans	-67.6	-43.6	178.8	-52	0	0	0	0	111	E70 L76 R77 E78	E70-T74 WeakPolarHBondContact O-CB 3.42Å; E70-T74 PolarHBondContact O-N 2.9Å; E70-T74 PolarHBondContact O-OG1 3.35Å; T74-L76 PolarHBondContact O-N 2.93Å; T74-R77 WeakPolarHBondContact O-CB 3.45Å; T74-R77 PolarHBondContact O-N 2.99Å; T74-E78 WeakPolarHBondContact O-CG 3.34Å; T74-E78 PolarHBondContact O-N 3.45Å
75	G	93.7	Very high	93.2	Very high	4 Å²	4	56.3 Å²	56.3	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-42.4	175.5	0	0	0	0	0	112.4	W33 K71 R77 E78 V79	W33-G75 VanDerWaalsContact CH2-CA 3.47Å; W33-G75 WeakPolarHBondContact CH2-O 3.18Å; K71-G75 PolarHBondContact O-N 2.99Å; G75-R77 VanDerWaalsContact C-N 3.33Å; G75-R77 PolarHBondContact O-N 3.13Å; G75-E78 PolarHBondContact O-N 2.91Å; G75-V79 VanDerWaalsContact O-CG2 3.25Å; G75-V79 WeakPolarHBondContact O-CG2 3.29Å; G75-V79 PolarHBondContact O-N 2.79Å
76	L	94.5	Very high	93.5	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-56.8	-48.9	173.2	167.6	69.6	0	0	0	110.6	W33 I40 L72 Y73 T74 E78 V79 V80 I118 L122 M125 V138 L141	W33-L76 VanDerWaalsContact CH2-N 3.34Å; I40-L76 HydrophobicContact CD1-CD1 3.91Å; L72-L76 VanDerWaalsContact O-CB 3.3Å; L72-L76 WeakPolarHBondContact O-CB 3.26Å; L72-L76 PolarHBondContact O-N 3.37Å; Y73-L76 PolarHBondContact O-N 3.05Å; T74-L76 PolarHBondContact O-N 2.93Å; L76-E78 VanDerWaalsContact C-N 3.31Å; L76-E78 PolarHBondContact O-N 3.28Å; L76-V79 PolarHBondContact O-N 3.02Å; L76-V80 HydrophobicContact CD1-CG2 3.78Å; L76-V80 HydrophobicContact CG-CG2 4.41Å; L76-V80 WeakPolarHBondContact O-CB 3.34Å; L76-V80 WeakPolarHBondContact O-CG2 3.03Å; L76-V80 PolarHBondContact O-N 2.97Å; L76-I118 HydrophobicContact CD1-CG2 3.58Å; L76-L122 HydrophobicContact CD1-CD1 4.03Å; L76-L122 HydrophobicContact CD2-CD1 3.7Å; L76-L122 HydrophobicContact CG-CD1 4.28Å; L76-M125 HydrophobicContact CD2-CE 4Å; L76-V138 HydrophobicContact CD2-CB 4.35Å; L76-V138 HydrophobicContact CD2-CG1 3.89Å; L76-V138 HydrophobicContact CD2-CG2 3.87Å; L76-L141 HydrophobicContact CD2-CD2 4.23Å
77	R	95.9	Very high	93.7	Very high	141 Å²	141	58.9 Å²	58.9	53%	0.532	28%	0.275	S	S	.	.	H	α-helix	trans	-56.5	-46.1	179	-176.8	177.2	179.8	174.2	1.3	111.3	Y73 T74 G75 T81 L141 I145	Y73-R77 PolarHBondContact O-N 3.45Å; T74-R77 WeakPolarHBondContact O-CB 3.45Å; T74-R77 PolarHBondContact O-N 2.99Å; G75-R77 VanDerWaalsContact C-N 3.33Å; G75-R77 PolarHBondContact O-N 3.13Å; R77-T81 WeakPolarHBondContact O-CB 3.49Å; R77-T81 PolarHBondContact O-N 2.75Å; R77-T81 PolarHBondContact O-OG1 2.85Å; R77-L141 HydrophobicContact CB-CD2 4.2Å; R77-L141 HydrophobicContact CG-CD1 4.41Å; R77-I145 HydrophobicContact CG-CD1 4.03Å
78	E	95.8	Very high	94.1	Very high	123 Å²	123	50.3 Å²	50.3	58%	0.575	24%	0.239	S	C	*	.	H	α-helix	trans	-62.4	-49.5	178.8	-72.5	172.1	-177.2	0	0	111.9	T74 G75 L76 V80 T81 E82	T74-E78 WeakPolarHBondContact O-CG 3.34Å; T74-E78 PolarHBondContact O-N 3.45Å; G75-E78 PolarHBondContact O-N 2.91Å; L76-E78 VanDerWaalsContact C-N 3.31Å; L76-E78 PolarHBondContact O-N 3.28Å; E78-V80 PolarHBondContact O-N 3.18Å; E78-T81 PolarHBondContact O-N 3.04Å; E78-E82 WeakPolarHBondContact O-CB 3.29Å; E78-E82 PolarHBondContact O-N 3.36Å
79	V	95.8	Very high	94.4	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-62.9	-43	-178.5	175.3	0	0	0	0	111.3	W33 K37 I40 Q41 G75 L76 H83	W33-V79 HydrophobicContact CH2-CG2 4.11Å; W33-V79 HydrophobicContact CZ2-CG2 3.92Å; K37-V79 HydrophobicContact CB-CG2 4.44Å; K37-V79 HydrophobicContact CD-CG2 3.9Å; K37-V79 HydrophobicContact CG-CG2 3.7Å; I40-V79 HydrophobicContact CB-CG1 4.31Å; I40-V79 HydrophobicContact CG2-CG1 3.68Å; Q41-V79 HydrophobicContact CG-CG1 3.86Å; G75-V79 VanDerWaalsContact O-CG2 3.25Å; G75-V79 WeakPolarHBondContact O-CG2 3.29Å; G75-V79 PolarHBondContact O-N 2.79Å; L76-V79 PolarHBondContact O-N 3.02Å; V79-H83 PolarHBondContact O-N 3.24Å; V79-H83 VanDerWaalsContact O-N 3.15Å
80	V	96.1	Very high	94.7	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-65.8	-42.6	176.3	175.3	0	0	0	0	111.2	L76 E78 H83 L84 M115 I145	L76-V80 HydrophobicContact CD1-CG2 3.78Å; L76-V80 HydrophobicContact CG-CG2 4.41Å; L76-V80 WeakPolarHBondContact O-CB 3.34Å; L76-V80 WeakPolarHBondContact O-CG2 3.03Å; L76-V80 PolarHBondContact O-N 2.97Å; E78-V80 PolarHBondContact O-N 3.18Å; V80-H83 PolarHBondContact O-N 3.05Å; V80-L84 HydrophobicContact CG1-CD1 3.88Å; V80-L84 HydrophobicContact CG1-CG 4.4Å; V80-L84 WeakPolarHBondContact O-CB 3.49Å; V80-L84 VanDerWaalsContact O-CG 3.29Å; V80-L84 WeakPolarHBondContact O-CG 3.38Å; V80-L84 PolarHBondContact O-N 2.87Å; V80-M115 HydrophobicContact CG1-SD 4.34Å; V80-M115 HydrophobicContact CG2-SD 4.17Å; V80-I145 HydrophobicContact CB-CD1 4.04Å; V80-I145 HydrophobicContact CG1-CB 4.44Å; V80-I145 HydrophobicContact CG1-CD1 3.83Å; V80-I145 HydrophobicContact CG1-CG2 4.4Å
81	T	97	Very high	94.8	Very high	30 Å²	30	49.4 Å²	49.4	18%	0.184	24%	0.235	C	C	.	.	H	α-helix	trans	-62.2	-46.4	177.2	-60.4	0	0	0	0	111.5	R77 E78 H83 L84 I85 I145 Q149	R77-T81 WeakPolarHBondContact O-CB 3.49Å; R77-T81 PolarHBondContact O-N 2.75Å; R77-T81 PolarHBondContact O-OG1 2.85Å; E78-T81 PolarHBondContact O-N 3.04Å; T81-H83 PolarHBondContact O-N 3.44Å; T81-L84 PolarHBondContact O-N 2.93Å; T81-I85 HydrophobicContact CG2-CD1 3.56Å; T81-I85 HydrophobicContact CG2-CG1 4.23Å; T81-I85 WeakPolarHBondContact O-CB 3.4Å; T81-I85 VanDerWaalsContact O-CG1 3.27Å; T81-I85 WeakPolarHBondContact O-CG1 3.29Å; T81-I85 PolarHBondContact O-N 3.32Å; T81-I145 WeakPolarHBondContact OG1-CG2 3.3Å; T81-Q149 HydrophobicContact CG2-CG 4.33Å
82	E	95.4	Very high	95	Very high	92 Å²	92	45.5 Å²	45.5	43%	0.43	22%	0.218	S	C	.	.	H	α-helix	trans	-60.4	-45.2	-179.6	-171	-177.4	179.9	0	0	111.6	E78 I85 N86	E78-E82 WeakPolarHBondContact O-CB 3.29Å; E78-E82 PolarHBondContact O-N 3.36Å; E82-I85 PolarHBondContact O-N 3.48Å; E82-N86 VanDerWaalsContact CG-ND2 3.28Å; E82-N86 WeakPolarHBondContact CG-ND2 3.43Å; E82-N86 VanDerWaalsContact O-CB 3.28Å; E82-N86 WeakPolarHBondContact O-CB 3.33Å; E82-N86 PolarHBondContact O-N 3.01Å; E82-N86 PolarHBondContact O-ND2 2.99Å
83	H	95.6	Very high	95.1	Very high	44 Å²	44	47.3 Å²	47.3	20%	0.204	23%	0.228	C	C	.	.	H	α-helix	trans	-63.1	-44.9	176.2	178.3	70.5	0	0	0	112.4	V79 V80 T81 I85 K87 V88	V79-H83 PolarHBondContact O-N 3.24Å; V79-H83 VanDerWaalsContact O-N 3.15Å; V80-H83 PolarHBondContact O-N 3.05Å; T81-H83 PolarHBondContact O-N 3.44Å; H83-I85 VanDerWaalsContact C-N 3.34Å; H83-I85 PolarHBondContact O-N 3.48Å; H83-K87 WeakPolarHBondContact O-CB 3.5Å; H83-K87 PolarHBondContact O-N 3.34Å; H83-V88 PolarHBondContact O-N 3.47Å
84	L	96.4	Very high	95	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.257	C	S	.	.	I	π-helix	trans	-65.5	-37.3	-179.6	-72.1	176.5	0	0	0	112.4	V80 T81 V88 R89 I145 F146 V150	V80-L84 HydrophobicContact CG1-CD1 3.88Å; V80-L84 HydrophobicContact CG1-CG 4.4Å; V80-L84 WeakPolarHBondContact O-CB 3.49Å; V80-L84 VanDerWaalsContact O-CG 3.29Å; V80-L84 WeakPolarHBondContact O-CG 3.38Å; V80-L84 PolarHBondContact O-N 2.87Å; T81-L84 PolarHBondContact O-N 2.93Å; L84-V88 HydrophobicContact CD2-CB 3.97Å; L84-V88 HydrophobicContact CD2-CG1 4.21Å; L84-V88 HydrophobicContact CD2-CG2 3.88Å; L84-R89 VanDerWaalsContact O-CB 3.26Å; L84-R89 WeakPolarHBondContact O-CB 3.34Å; L84-R89 PolarHBondContact O-N 3.5Å; L84-I145 HydrophobicContact CD1-CB 3.98Å; L84-I145 HydrophobicContact CD1-CG2 3.5Å; L84-I145 VanDerWaalsContact CD1-CG2 3.5Å; L84-F146 HydrophobicContact CD1-CB 4.28Å; L84-F146 HydrophobicContact CD2-CD2 3.76Å; L84-F146 HydrophobicContact CD2-CE2 4.36Å; L84-V150 HydrophobicContact CB-CG2 4.21Å; L84-V150 HydrophobicContact CD2-CG2 4.15Å
85	I	95.7	Very high	95	Very high	47 Å²	47	50.2 Å²	50.2	24%	0.241	24%	0.243	C	C	.	.	I	π-helix	trans	-74	-53.7	177.7	-66.7	176.8	0	0	0	111.3	T81 E82 H83 K87 Q149	T81-I85 HydrophobicContact CG2-CD1 3.56Å; T81-I85 HydrophobicContact CG2-CG1 4.23Å; T81-I85 WeakPolarHBondContact O-CB 3.4Å; T81-I85 VanDerWaalsContact O-CG1 3.27Å; T81-I85 WeakPolarHBondContact O-CG1 3.29Å; T81-I85 PolarHBondContact O-N 3.32Å; E82-I85 PolarHBondContact O-N 3.48Å; H83-I85 VanDerWaalsContact C-N 3.34Å; H83-I85 PolarHBondContact O-N 3.48Å; I85-K87 PolarHBondContact O-N 3.25Å; I85-Q149 HydrophobicContact CG1-CB 4.29Å; I85-Q149 HydrophobicContact CG1-CG 4.48Å
86	N	94.1	Very high	94.9	Very high	106 Å²	106	51.5 Å²	51.5	57%	0.567	25%	0.249	S	C	*	.	I	π-helix	trans	-81.3	-18.3	-167.2	-65.6	-22.7	0	0	0	113.5	E82	E82-N86 VanDerWaalsContact CG-ND2 3.28Å; E82-N86 WeakPolarHBondContact CG-ND2 3.43Å; E82-N86 VanDerWaalsContact O-CB 3.28Å; E82-N86 WeakPolarHBondContact O-CB 3.33Å; E82-N86 PolarHBondContact O-N 3.01Å; E82-N86 PolarHBondContact O-ND2 2.99Å
87	K	93.9	Very high	94.5	Very high	102 Å²	102	59.1 Å²	59.1	44%	0.443	29%	0.29	S	S	.	.	I	π-helix	trans	-122.5	-62.4	-178.8	-174.9	53.3	179.7	150.8	0	112.9	H83 I85 E90 D91	H83-K87 WeakPolarHBondContact O-CB 3.5Å; H83-K87 PolarHBondContact O-N 3.34Å; I85-K87 PolarHBondContact O-N 3.25Å; K87-E90 PolarHBondContact O-N 3.39Å; K87-D91 WeakPolarHBondContact CE-OD2 3.24Å; K87-D91 IonicContact NZ-OD1 2.66Å; K87-D91 PolarHBondContact NZ-OD1 2.71Å; K87-D91 IonicContact NZ-OD2 3.55Å; K87-D91 PolarHBondContact NZ-OD2 2.82Å; K87-D91 VanDerWaalsContact O-CG 3.3Å; K87-D91 PolarHBondContact O-N 3.25Å
88	V	95.6	Very high	94.1	Very high	16 Å²	16	57.8 Å²	57.8	10%	0.097	29%	0.293	C	S	.	.	I	π-helix	trans	-66	-47.3	-169.9	179.2	0	0	0	0	112	H83 L84 E90 D91 V92 A107 F146 V150	H83-V88 PolarHBondContact O-N 3.47Å; L84-V88 HydrophobicContact CD2-CB 3.97Å; L84-V88 HydrophobicContact CD2-CG1 4.21Å; L84-V88 HydrophobicContact CD2-CG2 3.88Å; V88-E90 PolarHBondContact O-N 3.18Å; V88-D91 PolarHBondContact O-N 3.33Å; V88-V92 WeakPolarHBondContact O-CG2 3.39Å; V88-V92 PolarHBondContact O-N 3.47Å; V88-A107 HydrophobicContact CG1-CB 3.76Å; V88-F146 HydrophobicContact CG1-CE2 4.16Å; V88-V150 HydrophobicContact CG1-CG1 4.38Å; V88-V150 HydrophobicContact CG1-CG2 4.15Å
89	R	95.5	Very high	93.7	Very high	19 Å²	19	56.5 Å²	56.5	7%	0.072	29%	0.29	C	S	.	.	I	π-helix	trans	-59.4	-47.1	177.1	176.4	-165.9	-69.8	176.3	-1.2	111.6	L84 D91 V92 L93 Q149 Y153 I156	L84-R89 VanDerWaalsContact O-CB 3.26Å; L84-R89 WeakPolarHBondContact O-CB 3.34Å; L84-R89 PolarHBondContact O-N 3.5Å; R89-D91 PolarHBondContact O-N 3.31Å; R89-V92 PolarHBondContact O-N 2.94Å; R89-L93 HydrophobicContact CG-CD1 3.99Å; R89-L93 HydrophobicContact CG-CG 4.32Å; R89-L93 WeakPolarHBondContact O-CG 3.42Å; R89-L93 PolarHBondContact O-N 3.32Å; R89-Q149 PolarHBondContact NE-O 3.47Å; R89-Q149 VanDerWaalsContact NH2-CA 3.32Å; R89-Q149 PolarHBondContact NH2-O 2.91Å; R89-Y153 HydrophobicContact CG-CD1 3.88Å; R89-Y153 HydrophobicContact CG-CE1 4.17Å; R89-Y153 HydrophobicContact CG-CG 4.31Å; R89-Y153 VanDerWaalsContact CZ-CE2 3.45Å; R89-I156 HydrophobicContact CG-CD1 4.28Å
90	E	94.6	Very high	93.7	Very high	86 Å²	86	56.8 Å²	56.8	40%	0.402	29%	0.291	S	S	.	.	H	α-helix	trans	-60.5	-43.1	179.1	-70.2	-61.8	138.1	0	0	111.9	K87 V88 V92 L93 N94	K87-E90 PolarHBondContact O-N 3.39Å; V88-E90 PolarHBondContact O-N 3.18Å; E90-V92 VanDerWaalsContact C-N 3.31Å; E90-V92 PolarHBondContact O-N 2.95Å; E90-L93 PolarHBondContact O-N 3.37Å; E90-N94 WeakPolarHBondContact O-CB 3.4Å; E90-N94 VanDerWaalsContact O-CG 3.25Å; E90-N94 PolarHBondContact O-N 2.97Å; E90-N94 PolarHBondContact O-ND2 3.45Å
91	D	93.6	Very high	93.6	Very high	63 Å²	63	57.9 Å²	57.9	34%	0.337	30%	0.297	S	S	.	.	H	α-helix	trans	-61.9	-39.8	175.7	-69.3	-17.9	0	0	0	111.6	K87 V88 R89 S95	K87-D91 WeakPolarHBondContact CE-OD2 3.24Å; K87-D91 IonicContact NZ-OD1 2.66Å; K87-D91 PolarHBondContact NZ-OD1 2.71Å; K87-D91 IonicContact NZ-OD2 3.55Å; K87-D91 PolarHBondContact NZ-OD2 2.82Å; K87-D91 VanDerWaalsContact O-CG 3.3Å; K87-D91 PolarHBondContact O-N 3.25Å; V88-D91 PolarHBondContact O-N 3.33Å; R89-D91 PolarHBondContact O-N 3.31Å; D91-S95 PolarHBondContact O-N 3.36Å; D91-S95 PolarHBondContact O-OG 2.85Å
92	V	95.1	Very high	93.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-68.2	-42.5	175.8	174.9	0	0	0	0	111.4	V88 R89 E90 N94 S95 L96 F100 L104 A107 V150 I156	V88-V92 WeakPolarHBondContact O-CG2 3.39Å; V88-V92 PolarHBondContact O-N 3.47Å; R89-V92 PolarHBondContact O-N 2.94Å; E90-V92 VanDerWaalsContact C-N 3.31Å; E90-V92 PolarHBondContact O-N 2.95Å; V92-N94 VanDerWaalsContact C-N 3.34Å; V92-N94 PolarHBondContact O-N 3.34Å; V92-S95 WeakPolarHBondContact CA-OG 3.3Å; V92-S95 PolarHBondContact O-N 3.34Å; V92-S95 PolarHBondContact O-OG 3.46Å; V92-L96 PolarHBondContact O-N 3.24Å; V92-F100 HydrophobicContact CG1-CD2 4.2Å; V92-F100 HydrophobicContact CG1-CE2 3.59Å; V92-L104 HydrophobicContact CG1-CD1 4.22Å; V92-L104 HydrophobicContact CG2-CD1 4.08Å; V92-A107 HydrophobicContact CG2-CB 4.44Å; V92-V150 HydrophobicContact CG2-CG1 4.19Å; V92-I156 HydrophobicContact CB-CD1 4.31Å; V92-I156 HydrophobicContact CG1-CD1 3.8Å; V92-I156 HydrophobicContact CG1-CG1 4.23Å; V92-I156 HydrophobicContact CG1-CG2 4.01Å
93	L	93.9	Very high	93.5	Very high	38 Å²	38	60.6 Å²	60.6	20%	0.199	31%	0.311	C	S	.	.	H	α-helix	trans	-61	-42.3	176.3	-73	172.2	0	0	0	112	R89 E90 S95 L96 Y153 I156	R89-L93 HydrophobicContact CG-CD1 3.99Å; R89-L93 HydrophobicContact CG-CG 4.32Å; R89-L93 WeakPolarHBondContact O-CG 3.42Å; R89-L93 PolarHBondContact O-N 3.32Å; E90-L93 PolarHBondContact O-N 3.37Å; L93-S95 PolarHBondContact O-N 3.19Å; L93-L96 HydrophobicContact CD2-CD1 4.05Å; L93-L96 WeakPolarHBondContact O-CD1 3.32Å; L93-L96 VanDerWaalsContact O-CG 3.27Å; L93-L96 WeakPolarHBondContact O-CG 3.23Å; L93-L96 PolarHBondContact O-N 2.93Å; L93-Y153 HydrophobicContact CD1-CE1 4.01Å; L93-Y153 HydrophobicContact CD2-CD1 4.47Å; L93-Y153 HydrophobicContact CD2-CE1 4.37Å; L93-I156 HydrophobicContact CD2-CD1 3.85Å; L93-I156 HydrophobicContact CD2-CG1 3.7Å; L93-I156 HydrophobicContact CG-CD1 4.07Å; L93-I156 HydrophobicContact CG-CG1 4.44Å
94	N	93.3	Very high	93.5	Very high	129 Å²	129	58.6 Å²	58.6	69%	0.69	30%	0.302	S	S	*	.	H	α-helix	trans	-67.6	-21.2	179	-71.4	-39.8	0	0	0	113.2	E90 V92	E90-N94 WeakPolarHBondContact O-CB 3.4Å; E90-N94 VanDerWaalsContact O-CG 3.25Å; E90-N94 PolarHBondContact O-N 2.97Å; E90-N94 PolarHBondContact O-ND2 3.45Å; V92-N94 VanDerWaalsContact C-N 3.34Å; V92-N94 PolarHBondContact O-N 3.34Å
95	S	94.3	Very high	93.5	Very high	10 Å²	10	60.5 Å²	60.5	7%	0.07	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-0.3	179.8	61.6	0	0	0	0	114.5	D91 V92 L93 N97 N98 F100 T103	D91-S95 PolarHBondContact O-N 3.36Å; D91-S95 PolarHBondContact O-OG 2.85Å; V92-S95 WeakPolarHBondContact CA-OG 3.3Å; V92-S95 PolarHBondContact O-N 3.34Å; V92-S95 PolarHBondContact O-OG 3.46Å; L93-S95 PolarHBondContact O-N 3.19Å; S95-N97 PolarHBondContact O-N 3.34Å; S95-N97 VanDerWaalsContact O-N 3.12Å; S95-N98 CarbonylContact C-O 3.57Å; S95-N98 WeakPolarHBondContact CA-O 3.47Å; S95-N98 WeakPolarHBondContact CB-O 3.26Å; S95-N98 CarbonylContact O-C 3.53Å; S95-N98 VanDerWaalsContact O-C 3.23Å; S95-N98 PolarHBondContact O-N 3.05Å; S95-F100 VanDerWaalsContact O-CA 3.29Å; S95-F100 WeakPolarHBondContact O-CA 3.38Å; S95-F100 VanDerWaalsContact O-CB 3.3Å; S95-F100 WeakPolarHBondContact O-CB 3.49Å; S95-F100 PolarHBondContact O-N 2.98Å; S95-T103 WeakPolarHBondContact OG-CB 3.39Å; S95-T103 WeakPolarHBondContact OG-CG2 3.48Å
96	L	90.5	Very high	93.5	Very high	30 Å²	30	63 Å²	63	16%	0.157	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-44.3	-177.9	-72.7	170	0	0	0	112.8	V92 L93 F100 H159	V92-L96 PolarHBondContact O-N 3.24Å; L93-L96 HydrophobicContact CD2-CD1 4.05Å; L93-L96 WeakPolarHBondContact O-CD1 3.32Å; L93-L96 VanDerWaalsContact O-CG 3.27Å; L93-L96 WeakPolarHBondContact O-CG 3.23Å; L93-L96 PolarHBondContact O-N 2.93Å; L96-F100 HydrophobicContact CD2-CD2 3.75Å; L96-F100 HydrophobicContact CD2-CE2 3.58Å; L96-F100 HydrophobicContact CD2-CZ 4.33Å; L96-F100 HydrophobicContact CG-CD2 4.47Å; L96-H159 HydrophobicContact CD2-CB 3.96Å; L96-H159 PolarHBondContact O-NE2 2.94Å
97	N	85.7	Confident	93.6	Very high	162 Å²	162	58.7 Å²	58.7	87%	0.866	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-2.3	-178.4	-61.8	-47.9	0	0	0	114.1	S95	S95-N97 PolarHBondContact O-N 3.34Å; S95-N97 VanDerWaalsContact O-N 3.12Å
98	N	87.4	Confident	93.7	Very high	113 Å²	113	54 Å²	54	60%	0.604	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-157.7	119.7	-177.5	-167.2	14.1	0	0	0	112.3	S95 F100	S95-N98 CarbonylContact C-O 3.57Å; S95-N98 WeakPolarHBondContact CA-O 3.47Å; S95-N98 WeakPolarHBondContact CB-O 3.26Å; S95-N98 CarbonylContact O-C 3.53Å; S95-N98 VanDerWaalsContact O-C 3.23Å; S95-N98 PolarHBondContact O-N 3.05Å; N98-F100 PolarHBondContact O-N 3.39Å
99	N	88.9	Confident	93.7	Very high	95 Å²	95	56.2 Å²	56.2	51%	0.508	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	21.8	-179.1	-56	-42.1	0	0	0	115.4	L101 Q102 T103	N99-L101 PolarHBondContact O-N 2.91Å; N99-Q102 HydrophobicContact CB-CB 4.42Å; N99-Q102 WeakPolarHBondContact O-CB 3.46Å; N99-Q102 PolarHBondContact O-N 3.33Å; N99-T103 PolarHBondContact O-N 3.38Å; N99-T103 PolarHBondContact O-OG1 2.87Å
100	F	95.1	Very high	93.7	Very high	9 Å²	9	57.6 Å²	57.6	4%	0.039	30%	0.301	C	S	.	.	H	α-helix	trans	-45.8	-57	-177.5	174.7	-110.9	0	0	0	114.6	V92 S95 L96 N98 Q102 T103 L104 I156 H159 L160	V92-F100 HydrophobicContact CG1-CD2 4.2Å; V92-F100 HydrophobicContact CG1-CE2 3.59Å; S95-F100 VanDerWaalsContact O-CA 3.29Å; S95-F100 WeakPolarHBondContact O-CA 3.38Å; S95-F100 VanDerWaalsContact O-CB 3.3Å; S95-F100 WeakPolarHBondContact O-CB 3.49Å; S95-F100 PolarHBondContact O-N 2.98Å; L96-F100 HydrophobicContact CD2-CD2 3.75Å; L96-F100 HydrophobicContact CD2-CE2 3.58Å; L96-F100 HydrophobicContact CD2-CZ 4.33Å; L96-F100 HydrophobicContact CG-CD2 4.47Å; N98-F100 PolarHBondContact O-N 3.39Å; F100-Q102 VanDerWaalsContact C-N 3.28Å; F100-Q102 PolarHBondContact O-N 3.29Å; F100-T103 PolarHBondContact O-N 3.01Å; F100-L104 HydrophobicContact CE1-CD2 4.24Å; F100-L104 HydrophobicContact CZ-CD2 3.89Å; F100-L104 WeakPolarHBondContact O-CB 3.33Å; F100-L104 PolarHBondContact O-N 3.45Å; F100-I156 HydrophobicContact CE2-CG2 4.12Å; F100-I156 HydrophobicContact CZ-CG2 4Å; F100-H159 AromaticContact CD1-CD2 3.81Å; F100-H159 AromaticContact CE1-CD2 3.94Å; F100-H159 AromaticContact CG-CD2 3.98Å; F100-L160 HydrophobicContact CE1-CB 3.89Å; F100-L160 HydrophobicContact CE1-CD1 3.88Å; F100-L160 HydrophobicContact CZ-CB 4.02Å
101	L	94.5	Very high	93.8	Very high	24 Å²	24	54 Å²	54	13%	0.126	28%	0.284	C	S	.	.	H	α-helix	trans	-63.8	-34.4	-177.8	-67.5	-178.4	0	0	0	112.3	N99 N105 L160 T163 L164 M167 A181	N99-L101 PolarHBondContact O-N 2.91Å; L101-N105 WeakPolarHBondContact O-CB 3.3Å; L101-N105 PolarHBondContact O-N 3.31Å; L101-L160 HydrophobicContact CD2-CD1 3.51Å; L101-T163 HydrophobicContact CD1-CG2 3.97Å; L101-T163 HydrophobicContact CD2-CG2 4.42Å; L101-T163 HydrophobicContact CG-CG2 4.09Å; L101-L164 HydrophobicContact CD1-CD2 4.23Å; L101-L164 HydrophobicContact CD2-CD2 4.29Å; L101-M167 HydrophobicContact CD1-SD 3.61Å; L101-A181 HydrophobicContact CB-CB 4.48Å; L101-A181 HydrophobicContact CD1-CB 3.97Å
102	Q	94.3	Very high	93.9	Very high	135 Å²	135	52.8 Å²	52.8	63%	0.631	28%	0.276	S	S	*	.	H	α-helix	trans	-68.7	-47.2	177.3	-174.1	-178.4	4.2	0	0	110.7	N99 F100 N105 Q106	N99-Q102 HydrophobicContact CB-CB 4.42Å; N99-Q102 WeakPolarHBondContact O-CB 3.46Å; N99-Q102 PolarHBondContact O-N 3.33Å; F100-Q102 VanDerWaalsContact C-N 3.28Å; F100-Q102 PolarHBondContact O-N 3.29Å; Q102-N105 PolarHBondContact O-N 3.06Å; Q102-Q106 WeakPolarHBondContact O-CB 3.45Å; Q102-Q106 PolarHBondContact O-N 2.91Å
103	T	95.6	Very high	93.9	Very high	44 Å²	44	56.8 Å²	56.8	27%	0.27	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-44.5	178	-62.2	0	0	0	0	111.5	S95 N99 F100 Q106 A107	S95-T103 WeakPolarHBondContact OG-CB 3.39Å; S95-T103 WeakPolarHBondContact OG-CG2 3.48Å; N99-T103 PolarHBondContact O-N 3.38Å; N99-T103 PolarHBondContact O-OG1 2.87Å; F100-T103 PolarHBondContact O-N 3.01Å; T103-Q106 PolarHBondContact O-N 3.46Å; T103-A107 WeakPolarHBondContact O-CB 3.39Å; T103-A107 PolarHBondContact O-N 3.28Å
104	L	96.2	Very high	94	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.016	29%	0.294	C	S	.	.	H	α-helix	trans	-63.8	-44.4	177.3	-178.4	60.5	0	0	0	111.9	V92 F100 A107 W108 F146 V150 L160 M188	V92-L104 HydrophobicContact CG1-CD1 4.22Å; V92-L104 HydrophobicContact CG2-CD1 4.08Å; F100-L104 HydrophobicContact CE1-CD2 4.24Å; F100-L104 HydrophobicContact CZ-CD2 3.89Å; F100-L104 WeakPolarHBondContact O-CB 3.33Å; F100-L104 PolarHBondContact O-N 3.45Å; L104-A107 PolarHBondContact O-N 3.5Å; L104-W108 WeakPolarHBondContact O-CB 3.19Å; L104-W108 PolarHBondContact O-N 3.04Å; L104-F146 HydrophobicContact CD1-CZ 4.28Å; L104-V150 HydrophobicContact CD1-CG1 4.22Å; L104-L160 HydrophobicContact CD2-CD1 4.03Å; L104-L160 HydrophobicContact CD2-CD2 4.08Å; L104-M188 HydrophobicContact CD2-CE 4.01Å; L104-M188 HydrophobicContact CG-CE 4.35Å; L104-M188 HydrophobicContact CG-SD 4.33Å
105	N	95.8	Very high	94.1	Very high	40 Å²	40	49.2 Å²	49.2	21%	0.214	26%	0.262	C	S	.	.	H	α-helix	trans	-64.8	-40	177.6	-173	42.6	0	0	0	111.7	L101 Q102 W108 N109 N184	L101-N105 WeakPolarHBondContact O-CB 3.3Å; L101-N105 PolarHBondContact O-N 3.31Å; Q102-N105 PolarHBondContact O-N 3.06Å; N105-W108 PolarHBondContact O-N 2.89Å; N105-N109 VanDerWaalsContact O-CG 3.28Å; N105-N109 PolarHBondContact O-N 3.3Å; N105-N109 PolarHBondContact O-ND2 3.32Å; N105-N109 PolarHBondContact OD1-ND2 3.23Å; N105-N184 PolarHBondContact ND2-ND2 3.39Å
106	Q	95.4	Very high	94.2	Very high	98 Å²	98	51.2 Å²	51.2	46%	0.458	27%	0.273	S	S	.	.	H	α-helix	trans	-63.7	-47.6	175.3	-173.9	60.4	53	0	0	111.3	Q102 T103 W108 N109 D110	Q102-Q106 WeakPolarHBondContact O-CB 3.45Å; Q102-Q106 PolarHBondContact O-N 2.91Å; T103-Q106 PolarHBondContact O-N 3.46Å; Q106-W108 VanDerWaalsContact C-N 3.28Å; Q106-W108 PolarHBondContact O-N 3.34Å; Q106-N109 PolarHBondContact O-N 3.41Å; Q106-D110 PolarHBondContact NE2-OD1 3.3Å; Q106-D110 PolarHBondContact NE2-OD2 3.32Å; Q106-D110 WeakPolarHBondContact O-CB 3.29Å; Q106-D110 PolarHBondContact O-N 3.12Å
107	A	95.7	Very high	94.3	Very high	16 Å²	16	51.4 Å²	51.4	13%	0.132	27%	0.274	C	S	.	.	H	α-helix	trans	-57.8	-40.8	176.3	0	0	0	0	0	112.3	V88 V92 T103 L104 H111	V88-A107 HydrophobicContact CG1-CB 3.76Å; V92-A107 HydrophobicContact CG2-CB 4.44Å; T103-A107 WeakPolarHBondContact O-CB 3.39Å; T103-A107 PolarHBondContact O-N 3.28Å; L104-A107 PolarHBondContact O-N 3.5Å; A107-H111 VanDerWaalsContact O-CB 3.29Å; A107-H111 WeakPolarHBondContact O-CB 3.47Å; A107-H111 PolarHBondContact O-N 2.85Å
108	W	96.8	Very high	94.7	Very high	5 Å²	5	43.7 Å²	43.7	2%	0.019	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-50.3	175.7	171	-117.4	0	0	0	112.5	L104 N105 Q106 D110 H111 Q112 L143 F146 M188 I191 L192	L104-W108 WeakPolarHBondContact O-CB 3.19Å; L104-W108 PolarHBondContact O-N 3.04Å; N105-W108 PolarHBondContact O-N 2.89Å; Q106-W108 VanDerWaalsContact C-N 3.28Å; Q106-W108 PolarHBondContact O-N 3.34Å; W108-D110 VanDerWaalsContact C-N 3.31Å; W108-D110 PolarHBondContact O-N 3.41Å; W108-H111 PolarHBondContact O-N 3.1Å; W108-Q112 HydrophobicContact CD2-CG 3.95Å; W108-Q112 VanDerWaalsContact CE2-OE1 3.28Å; W108-Q112 HydrophobicContact CE3-CG 4.14Å; W108-Q112 HydrophobicContact CH2-CG 3.89Å; W108-Q112 HydrophobicContact CZ2-CG 3.63Å; W108-Q112 HydrophobicContact CZ3-CG 4.1Å; W108-Q112 WeakPolarHBondContact O-CG 3.27Å; W108-Q112 PolarHBondContact O-N 3.49Å; W108-L143 HydrophobicContact CH2-CD2 3.53Å; W108-L143 HydrophobicContact CH2-CG 4.46Å; W108-L143 HydrophobicContact CZ3-CD2 3.81Å; W108-F146 HydrophobicContact CB-CE1 4.28Å; W108-F146 HydrophobicContact CB-CZ 3.96Å; W108-F146 HydrophobicContact CD2-CE1 4.37Å; W108-F146 AromaticContact CE3-CD1 3.59Å; W108-F146 HydrophobicContact CE3-CD1 3.59Å; W108-F146 HydrophobicContact CE3-CD2 4.39Å; W108-F146 AromaticContact CE3-CE1 3.6Å; W108-F146 HydrophobicContact CE3-CE1 3.6Å; W108-F146 HydrophobicContact CE3-CE2 4.41Å; W108-F146 HydrophobicContact CE3-CG 4.01Å; W108-F146 HydrophobicContact CE3-CZ 4.03Å; W108-F146 HydrophobicContact CZ3-CB 4.45Å; W108-F146 AromaticContact CZ3-CD1 3.87Å; W108-F146 HydrophobicContact CZ3-CD1 3.87Å; W108-F146 HydrophobicContact CZ3-CE1 4.33Å; W108-F146 HydrophobicContact CZ3-CG 4.16Å; W108-M188 HydrophobicContact CB-CG 4.44Å; W108-M188 HydrophobicContact CB-SD 3.92Å; W108-M188 HydrophobicContact CD2-CB 4.45Å; W108-M188 HydrophobicContact CD2-CG 3.65Å; W108-M188 HydrophobicContact CD2-SD 4.18Å; W108-M188 HydrophobicContact CE3-CG 4.23Å; W108-M188 HydrophobicContact CG-CB 4.29Å; W108-M188 HydrophobicContact CG-CG 3.73Å; W108-M188 HydrophobicContact CG-SD 3.85Å; W108-M188 HydrophobicContact CZ2-CG 4.28Å; W108-I191 HydrophobicContact CH2-CB 4.45Å; W108-I191 HydrophobicContact CH2-CG2 3.87Å; W108-I191 HydrophobicContact CZ2-CB 3.92Å; W108-I191 HydrophobicContact CZ2-CD1 4.24Å; W108-I191 HydrophobicContact CZ2-CG2 3.62Å; W108-L192 HydrophobicContact CE3-CD2 4.39Å; W108-L192 HydrophobicContact CH2-CD2 3.6Å; W108-L192 HydrophobicContact CH2-CG 4.13Å; W108-L192 HydrophobicContact CZ3-CD2 3.48Å; W108-L192 VanDerWaalsContact CZ3-CD2 3.48Å; W108-L192 HydrophobicContact CZ3-CG 4.28Å
109	N	96.2	Very high	95.1	Very high	62 Å²	62	42.4 Å²	42.4	33%	0.332	22%	0.219	S	C	.	.	H	α-helix	trans	-61.7	-40.4	179	-70.6	-41.6	0	0	0	112.1	N105 Q106 Q112 T113	N105-N109 VanDerWaalsContact O-CG 3.28Å; N105-N109 PolarHBondContact O-N 3.3Å; N105-N109 PolarHBondContact O-ND2 3.32Å; N105-N109 PolarHBondContact OD1-ND2 3.23Å; Q106-N109 PolarHBondContact O-N 3.41Å; N109-Q112 PolarHBondContact O-N 3.31Å; N109-T113 WeakPolarHBondContact O-CB 3.32Å; N109-T113 PolarHBondContact O-N 3.1Å; N109-T113 PolarHBondContact O-OG1 2.74Å
110	D	95.5	Very high	95.3	Very high	48 Å²	48	40.7 Å²	40.7	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-62.8	-45.6	176	-68.5	-25.6	0	0	0	111.1	K46 Q106 W108 T113 A114	K46-D110 WeakPolarHBondContact CE-OD1 3.28Å; K46-D110 WeakPolarHBondContact CE-OD2 3.4Å; K46-D110 IonicContact NZ-OD1 3.38Å; K46-D110 PolarHBondContact NZ-OD1 3.3Å; K46-D110 IonicContact NZ-OD2 3.57Å; K46-D110 PolarHBondContact NZ-OD2 3.46Å; Q106-D110 PolarHBondContact NE2-OD1 3.3Å; Q106-D110 PolarHBondContact NE2-OD2 3.32Å; Q106-D110 WeakPolarHBondContact O-CB 3.29Å; Q106-D110 PolarHBondContact O-N 3.12Å; W108-D110 VanDerWaalsContact C-N 3.31Å; W108-D110 PolarHBondContact O-N 3.41Å; D110-T113 PolarHBondContact O-N 3.42Å; D110-A114 WeakPolarHBondContact O-CB 3.46Å; D110-A114 PolarHBondContact O-N 3.4Å
111	H	96.6	Very high	95.2	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.046	21%	0.209	C	C	.	.	H	α-helix	trans	-63.7	-44	177.9	-175.8	63.7	0	0	0	112.3	A107 W108 T113 A114 M115 G142 F146	A107-H111 VanDerWaalsContact O-CB 3.29Å; A107-H111 WeakPolarHBondContact O-CB 3.47Å; A107-H111 PolarHBondContact O-N 2.85Å; W108-H111 PolarHBondContact O-N 3.1Å; H111-T113 VanDerWaalsContact C-N 3.32Å; H111-T113 PolarHBondContact O-N 3.12Å; H111-A114 PolarHBondContact O-N 3.31Å; H111-M115 WeakPolarHBondContact O-CB 3.33Å; H111-M115 WeakPolarHBondContact O-CG 3.25Å; H111-M115 PolarHBondContact O-N 2.95Å; H111-G142 PolarHBondContact NE2-O 3.36Å; H111-F146 HydrophobicContact CB-CD2 3.94Å; H111-F146 HydrophobicContact CB-CE2 4.08Å; H111-F146 AromaticContact CD2-CD2 3.55Å; H111-F146 AromaticContact CD2-CG 3.84Å; H111-F146 AromaticContact CG-CD2 3.71Å
112	Q	95.8	Very high	95.2	Very high	37 Å²	37	39.4 Å²	39.4	17%	0.173	20%	0.204	C	C	.	.	H	α-helix	trans	-59	-45.1	175.4	-72.5	-170.2	-76.3	0	0	111.4	W108 N109 M115 V116 Y139	W108-Q112 HydrophobicContact CD2-CG 3.95Å; W108-Q112 VanDerWaalsContact CE2-OE1 3.28Å; W108-Q112 HydrophobicContact CE3-CG 4.14Å; W108-Q112 HydrophobicContact CH2-CG 3.89Å; W108-Q112 HydrophobicContact CZ2-CG 3.63Å; W108-Q112 HydrophobicContact CZ3-CG 4.1Å; W108-Q112 WeakPolarHBondContact O-CG 3.27Å; W108-Q112 PolarHBondContact O-N 3.49Å; N109-Q112 PolarHBondContact O-N 3.31Å; Q112-M115 PolarHBondContact O-N 2.89Å; Q112-V116 WeakPolarHBondContact O-CG2 3.45Å; Q112-V116 PolarHBondContact O-N 3.1Å; Q112-Y139 PolarHBondContact NE2-OH 3.14Å
113	T	95	Very high	95.1	Very high	84 Å²	84	36.1 Å²	36.1	52%	0.515	19%	0.189	S	C	.	.	H	α-helix	trans	-63.7	-43.9	179.2	-53.9	0	0	0	0	111.2	N109 D110 H111 V116 M117	N109-T113 WeakPolarHBondContact O-CB 3.32Å; N109-T113 PolarHBondContact O-N 3.1Å; N109-T113 PolarHBondContact O-OG1 2.74Å; D110-T113 PolarHBondContact O-N 3.42Å; H111-T113 VanDerWaalsContact C-N 3.32Å; H111-T113 PolarHBondContact O-N 3.12Å; T113-V116 PolarHBondContact O-N 3.4Å; T113-M117 HydrophobicContact CG2-CE 4.13Å; T113-M117 PolarHBondContact O-N 3.07Å
114	A	95.3	Very high	94.9	Very high	7 Å²	7	36.5 Å²	36.5	6%	0.058	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-46.7	174.6	0	0	0	0	0	111.9	I43 D110 H111 V116 M117 I118	I43-A114 HydrophobicContact CG2-CB 3.97Å; D110-A114 WeakPolarHBondContact O-CB 3.46Å; D110-A114 PolarHBondContact O-N 3.4Å; H111-A114 PolarHBondContact O-N 3.31Å; A114-V116 PolarHBondContact O-N 3.12Å; A114-M117 PolarHBondContact O-N 3.41Å; A114-I118 WeakPolarHBondContact O-CD1 3.35Å; A114-I118 VanDerWaalsContact O-CG1 3.27Å; A114-I118 WeakPolarHBondContact O-CG1 3.3Å; A114-I118 PolarHBondContact O-N 2.99Å
115	M	96	Very high	94.7	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-68.1	-30.9	-178.2	-71.6	-53.7	-48.6	0	0	113.5	V80 H111 Q112 I118 R119 V138 Y139	V80-M115 HydrophobicContact CG1-SD 4.34Å; V80-M115 HydrophobicContact CG2-SD 4.17Å; H111-M115 WeakPolarHBondContact O-CB 3.33Å; H111-M115 WeakPolarHBondContact O-CG 3.25Å; H111-M115 PolarHBondContact O-N 2.95Å; Q112-M115 PolarHBondContact O-N 2.89Å; M115-I118 HydrophobicContact CE-CG2 4.48Å; M115-I118 HydrophobicContact SD-CD1 3.91Å; M115-R119 VanDerWaalsContact O-CB 3.24Å; M115-R119 WeakPolarHBondContact O-CB 3.46Å; M115-R119 PolarHBondContact O-N 3.25Å; M115-V138 HydrophobicContact CE-CG1 3.82Å; M115-V138 WeakPolarHBondContact CE-O 3.22Å; M115-Y139 HydrophobicContact CB-CD2 3.86Å; M115-Y139 HydrophobicContact CB-CE2 4.07Å
116	V	95.3	Very high	94.5	Very high	51 Å²	51	35.8 Å²	35.8	31%	0.309	18%	0.182	S	C	.	.	H	α-helix	trans	-61.6	-48.3	170.8	169.2	0	0	0	0	110.5	Q112 T113 A114 I118 R119 D120 Y139	Q112-V116 WeakPolarHBondContact O-CG2 3.45Å; Q112-V116 PolarHBondContact O-N 3.1Å; T113-V116 PolarHBondContact O-N 3.4Å; A114-V116 PolarHBondContact O-N 3.12Å; V116-I118 PolarHBondContact O-N 2.86Å; V116-R119 WeakPolarHBondContact O-CB 3.32Å; V116-R119 PolarHBondContact O-N 3.22Å; V116-D120 VanDerWaalsContact O-CG 3.25Å; V116-D120 PolarHBondContact O-N 3.36Å; V116-Y139 HydrophobicContact CG2-CD2 4.26Å; V116-Y139 HydrophobicContact CG2-CE2 3.77Å
117	M	93.6	Very high	94.2	Very high	34 Å²	34	38.1 Å²	38.1	17%	0.167	19%	0.187	C	C	.	.	H	α-helix	trans	-62.8	-42.2	178.3	-71	-171.9	-85.3	0	0	112.3	I43 N48 F53 T113 A114 D120 I121	I43-M117 HydrophobicContact CD1-CB 4.3Å; I43-M117 HydrophobicContact CG2-CB 4.04Å; I43-M117 HydrophobicContact CG2-CE 3.7Å; I43-M117 HydrophobicContact CG2-SD 4.28Å; N48-M117 HydrophobicContact CB-SD 4.42Å; N48-M117 PolarHBondContact ND2-SD 3.3Å; F53-M117 HydrophobicContact CE1-CB 4.08Å; F53-M117 HydrophobicContact CE1-CG 4.39Å; F53-M117 HydrophobicContact CZ-CB 4.37Å; F53-M117 HydrophobicContact CZ-CG 4.35Å; F53-M117 HydrophobicContact CZ-SD 4.07Å; T113-M117 HydrophobicContact CG2-CE 4.13Å; T113-M117 PolarHBondContact O-N 3.07Å; A114-M117 PolarHBondContact O-N 3.41Å; M117-D120 PolarHBondContact O-N 3.23Å; M117-I121 WeakPolarHBondContact O-CG1 3.35Å; M117-I121 PolarHBondContact O-N 2.86Å; M117-I121 VanDerWaalsContact O-N 3.14Å
118	I	94.6	Very high	94	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.5	-42.5	178.2	-66	162	0	0	0	110.9	I40 I43 L76 A114 M115 V116 D120 I121 L122 V138	I40-I118 HydrophobicContact CG1-CG1 4.38Å; I40-I118 HydrophobicContact CG1-CG2 4.41Å; I40-I118 HydrophobicContact CG2-CD1 3.88Å; I40-I118 HydrophobicContact CG2-CG1 4.36Å; I43-I118 HydrophobicContact CD1-CG1 4.32Å; I43-I118 HydrophobicContact CG2-CD1 4.43Å; I43-I118 HydrophobicContact CG2-CG1 4.16Å; L76-I118 HydrophobicContact CD1-CG2 3.58Å; A114-I118 WeakPolarHBondContact O-CD1 3.35Å; A114-I118 VanDerWaalsContact O-CG1 3.27Å; A114-I118 WeakPolarHBondContact O-CG1 3.3Å; A114-I118 PolarHBondContact O-N 2.99Å; M115-I118 HydrophobicContact CE-CG2 4.48Å; M115-I118 HydrophobicContact SD-CD1 3.91Å; V116-I118 PolarHBondContact O-N 2.86Å; I118-D120 VanDerWaalsContact C-N 3.3Å; I118-D120 PolarHBondContact O-N 3.4Å; I118-I121 PolarHBondContact O-N 3.38Å; I118-L122 HydrophobicContact CG2-CD1 3.8Å; I118-L122 HydrophobicContact CG2-CG 4.4Å; I118-L122 WeakPolarHBondContact O-CB 3.44Å; I118-L122 WeakPolarHBondContact O-CG 3.28Å; I118-L122 PolarHBondContact O-N 3.07Å; I118-V138 HydrophobicContact CG2-CG1 4Å
119	R	94.7	Very high	93.7	Very high	87 Å²	87	40.2 Å²	40.2	33%	0.328	20%	0.195	S	C	.	.	H	α-helix	trans	-57.6	-43.1	173.6	179.3	-152.1	65.4	-163.8	-1.4	111.4	M115 V116 I121 L122 M123 V138	M115-R119 VanDerWaalsContact O-CB 3.24Å; M115-R119 WeakPolarHBondContact O-CB 3.46Å; M115-R119 PolarHBondContact O-N 3.25Å; V116-R119 WeakPolarHBondContact O-CB 3.32Å; V116-R119 PolarHBondContact O-N 3.22Å; R119-I121 PolarHBondContact O-N 3.48Å; R119-L122 CarbonylContact O-C 3.58Å; R119-L122 VanDerWaalsContact O-C 3.3Å; R119-L122 PolarHBondContact O-N 2.84Å; R119-L122 VanDerWaalsContact O-N 3.15Å; R119-M123 WeakPolarHBondContact O-CA 3.46Å; R119-M123 PolarHBondContact O-N 3.48Å; R119-V138 HydrophobicContact CB-CB 4.44Å; R119-V138 HydrophobicContact CB-CG1 4.07Å
120	D	92.9	Very high	93.5	Very high	58 Å²	58	37.8 Å²	37.8	31%	0.31	18%	0.183	S	C	.	.	H	α-helix	trans	-66.1	-38.2	-178.5	-67.6	-14.8	0	0	0	112.1	V116 M117 I118 L122	V116-D120 VanDerWaalsContact O-CG 3.25Å; V116-D120 PolarHBondContact O-N 3.36Å; M117-D120 PolarHBondContact O-N 3.23Å; I118-D120 VanDerWaalsContact C-N 3.3Å; I118-D120 PolarHBondContact O-N 3.4Å; D120-L122 VanDerWaalsContact C-N 3.34Å
121	I	93.4	Very high	93.1	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-40.6	171.5	-67.6	166.5	0	0	0	111	L36 I43 F53 L56 Y57 M117 I118 R119	L36-I121 HydrophobicContact CD2-CG2 4.24Å; I43-I121 HydrophobicContact CD1-CD1 3.43Å; I43-I121 VanDerWaalsContact CD1-CD1 3.43Å; F53-I121 HydrophobicContact CD1-CD1 3.88Å; F53-I121 HydrophobicContact CD1-CG1 3.56Å; F53-I121 HydrophobicContact CE1-CD1 3.78Å; F53-I121 HydrophobicContact CE1-CG1 3.9Å; L56-I121 HydrophobicContact CB-CD1 4.41Å; L56-I121 HydrophobicContact CB-CG1 4.3Å; L56-I121 HydrophobicContact CB-CG2 3.75Å; L56-I121 HydrophobicContact CD1-CD1 3.93Å; Y57-I121 WeakPolarHBondContact CD2-O 3.27Å; M117-I121 WeakPolarHBondContact O-CG1 3.35Å; M117-I121 PolarHBondContact O-N 2.86Å; M117-I121 VanDerWaalsContact O-N 3.14Å; I118-I121 PolarHBondContact O-N 3.38Å; R119-I121 PolarHBondContact O-N 3.48Å
122	L	94	Very high	92.8	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	17.1	-174.2	-58.5	-178.8	0	0	0	113.5	A60 L72 L76 I118 R119 D120 Y124 M125 D126 V138	A60-L122 HydrophobicContact CB-CD2 3.62Å; L72-L122 HydrophobicContact CD1-CD2 4.17Å; L72-L122 HydrophobicContact CD2-CD2 4.11Å; L72-L122 HydrophobicContact CG-CD2 4.36Å; L76-L122 HydrophobicContact CD1-CD1 4.03Å; L76-L122 HydrophobicContact CD2-CD1 3.7Å; L76-L122 HydrophobicContact CG-CD1 4.28Å; I118-L122 HydrophobicContact CG2-CD1 3.8Å; I118-L122 HydrophobicContact CG2-CG 4.4Å; I118-L122 WeakPolarHBondContact O-CB 3.44Å; I118-L122 WeakPolarHBondContact O-CG 3.28Å; I118-L122 PolarHBondContact O-N 3.07Å; R119-L122 CarbonylContact O-C 3.58Å; R119-L122 VanDerWaalsContact O-C 3.3Å; R119-L122 PolarHBondContact O-N 2.84Å; R119-L122 VanDerWaalsContact O-N 3.15Å; D120-L122 VanDerWaalsContact C-N 3.34Å; L122-Y124 PolarHBondContact O-N 2.91Å; L122-M125 HydrophobicContact CB-CB 4.43Å; L122-M125 HydrophobicContact CB-CE 4.19Å; L122-M125 HydrophobicContact CD1-CE 3.93Å; L122-M125 WeakPolarHBondContact O-CA 3.19Å; L122-M125 WeakPolarHBondContact O-CB 3.24Å; L122-M125 PolarHBondContact O-N 3Å; L122-D126 PolarHBondContact O-N 2.87Å; L122-V138 HydrophobicContact CB-CG2 4.07Å; L122-V138 HydrophobicContact CD1-CG1 4.43Å; L122-V138 HydrophobicContact CD1-CG2 4.25Å
123	M	92.3	Very high	92.6	Very high	67 Å²	67	51.3 Å²	51.3	33%	0.33	25%	0.247	S	C	.	.	H	α-helix	trans	-57.5	-31.9	-171.2	-174.2	-170.5	-54.6	0	0	113.4	Y57 R119 D126 R127	Y57-M123 HydrophobicContact CE2-CB 4.15Å; R119-M123 WeakPolarHBondContact O-CA 3.46Å; R119-M123 PolarHBondContact O-N 3.48Å; M123-D126 PolarHBondContact O-N 3.26Å; M123-R127 WeakPolarHBondContact O-CG 3.43Å; M123-R127 PolarHBondContact O-N 2.89Å; M123-R127 PolarHBondContact SD-NH2 3.5Å; M123-R127 VanDerWaalsContact SD-NH2 3.37Å
124	Y	92	Very high	92.3	Very high	51 Å²	51	54.6 Å²	54.6	20%	0.2	26%	0.261	C	S	.	.	H	α-helix	trans	-71.9	-30.3	176.3	-168.8	-107.8	0	0	0	112.9	Y61 V64 L122 R127 V128	Y61-Y124 AromaticContact CD2-CD1 3.48Å; Y61-Y124 HydrophobicContact CD2-CD1 3.48Å; Y61-Y124 VanDerWaalsContact CD2-CD1 3.48Å; Y61-Y124 AromaticContact CD2-CD2 3.58Å; Y61-Y124 HydrophobicContact CD2-CD2 3.58Å; Y61-Y124 AromaticContact CD2-CE1 3.65Å; Y61-Y124 HydrophobicContact CD2-CE1 3.65Å; Y61-Y124 AromaticContact CD2-CE2 3.76Å; Y61-Y124 HydrophobicContact CD2-CE2 3.76Å; Y61-Y124 AromaticContact CD2-CG 3.44Å; Y61-Y124 HydrophobicContact CD2-CG 3.44Å; Y61-Y124 VanDerWaalsContact CD2-CG 3.44Å; Y61-Y124 AromaticContact CD2-CZ 3.78Å; Y61-Y124 HydrophobicContact CE2-CD1 4.02Å; Y61-Y124 AromaticContact CE2-CD2 3.76Å; Y61-Y124 HydrophobicContact CE2-CD2 3.76Å; Y61-Y124 AromaticContact CE2-CE1 3.71Å; Y61-Y124 HydrophobicContact CE2-CE1 3.71Å; Y61-Y124 AromaticContact CE2-CE2 3.44Å; Y61-Y124 HydrophobicContact CE2-CE2 3.44Å; Y61-Y124 VanDerWaalsContact CE2-CE2 3.44Å; Y61-Y124 HydrophobicContact CE2-CG 4.04Å; Y61-Y124 AromaticContact CE2-CZ 3.4Å; Y61-Y124 HydrophobicContact CG-CD1 4.17Å; Y61-Y124 HydrophobicContact CG-CE1 4.42Å; Y61-Y124 HydrophobicContact CG-CG 4.38Å; V64-Y124 HydrophobicContact CB-CD1 3.8Å; V64-Y124 HydrophobicContact CB-CE1 4.08Å; V64-Y124 HydrophobicContact CG1-CD1 3.76Å; V64-Y124 HydrophobicContact CG1-CE1 3.8Å; L122-Y124 PolarHBondContact O-N 2.91Å; Y124-R127 PolarHBondContact O-N 3.11Å; Y124-V128 HydrophobicContact CD1-CG2 4.3Å; Y124-V128 HydrophobicContact CD2-CG2 4.17Å; Y124-V128 HydrophobicContact CE1-CB 4.47Å; Y124-V128 HydrophobicContact CE1-CG2 3.87Å; Y124-V128 HydrophobicContact CE2-CG2 3.7Å; Y124-V128 HydrophobicContact CG-CG2 4.45Å; Y124-V128 PolarHBondContact O-N 2.88Å; Y124-V128 VanDerWaalsContact O-N 3.08Å
125	M	91.7	Very high	92.1	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-64	-43.2	173.5	-170.6	176.5	68.6	0	0	111	V64 L72 Y73 L76 L122 R127 V128 Y129 V130 V138	V64-M125 HydrophobicContact CG2-CB 3.94Å; V64-M125 HydrophobicContact CG2-CG 4.16Å; L72-M125 HydrophobicContact CB-SD 4.13Å; L72-M125 HydrophobicContact CD2-SD 3.84Å; L72-M125 HydrophobicContact CG-SD 3.71Å; Y73-M125 HydrophobicContact CD2-CE 3.85Å; Y73-M125 HydrophobicContact CD2-SD 4.17Å; L76-M125 HydrophobicContact CD2-CE 4Å; L122-M125 HydrophobicContact CB-CB 4.43Å; L122-M125 HydrophobicContact CB-CE 4.19Å; L122-M125 HydrophobicContact CD1-CE 3.93Å; L122-M125 WeakPolarHBondContact O-CA 3.19Å; L122-M125 WeakPolarHBondContact O-CB 3.24Å; L122-M125 PolarHBondContact O-N 3Å; M125-R127 VanDerWaalsContact C-N 3.31Å; M125-R127 PolarHBondContact O-N 3.41Å; M125-V128 PolarHBondContact O-N 3.33Å; M125-Y129 HydrophobicContact CG-CD1 4.28Å; M125-Y129 HydrophobicContact CG-CG 4.44Å; M125-Y129 PolarHBondContact O-N 3.31Å; M125-V130 PolarHBondContact O-N 2.9Å; M125-V138 HydrophobicContact CE-CG2 3.15Å
126	D	91	Very high	92	Very high	27 Å²	27	60.6 Å²	60.6	14%	0.144	29%	0.292	C	S	.	.	I	π-helix	trans	-61.2	-38.2	175.2	-83.1	-17.9	0	0	0	112.3	L122 M123 N137 V138	L122-D126 PolarHBondContact O-N 2.87Å; M123-D126 PolarHBondContact O-N 3.26Å; D126-N137 WeakPolarHBondContact OD1-CA 3.34Å; D126-N137 WeakPolarHBondContact OD1-CB 3.45Å; D126-V138 WeakPolarHBondContact OD1-CG2 3.43Å; D126-V138 PolarHBondContact OD1-N 3Å
127	R	89.9	Confident	91.9	Very high	148 Å²	148	60.8 Å²	60.8	56%	0.558	29%	0.291	S	S	*	.	I	π-helix	trans	-74.8	-31.5	-179.2	-70.8	180	-174	-174.1	3.6	114	M123 Y124 M125 Q131	M123-R127 WeakPolarHBondContact O-CG 3.43Å; M123-R127 PolarHBondContact O-N 2.89Å; M123-R127 PolarHBondContact SD-NH2 3.5Å; M123-R127 VanDerWaalsContact SD-NH2 3.37Å; Y124-R127 PolarHBondContact O-N 3.11Å; M125-R127 VanDerWaalsContact C-N 3.31Å; M125-R127 PolarHBondContact O-N 3.41Å; R127-Q131 VanDerWaalsContact O-CD 3.29Å; R127-Q131 PolarHBondContact O-OE1 3Å; R127-Q131 VanDerWaalsContact O-OE1 3.09Å
128	V	91.3	Very high	92	Very high	32 Å²	32	59.1 Å²	59.1	19%	0.194	28%	0.283	C	S	.	.	I	π-helix	trans	-113	-65.3	-171	-177	0	0	0	0	111.2	V64 Y124 M125 Q132	V64-V128 HydrophobicContact CG1-CB 4.03Å; V64-V128 HydrophobicContact CG1-CG1 4.21Å; Y124-V128 HydrophobicContact CD1-CG2 4.3Å; Y124-V128 HydrophobicContact CD2-CG2 4.17Å; Y124-V128 HydrophobicContact CE1-CB 4.47Å; Y124-V128 HydrophobicContact CE1-CG2 3.87Å; Y124-V128 HydrophobicContact CE2-CG2 3.7Å; Y124-V128 HydrophobicContact CG-CG2 4.45Å; Y124-V128 PolarHBondContact O-N 2.88Å; Y124-V128 VanDerWaalsContact O-N 3.08Å; M125-V128 PolarHBondContact O-N 3.33Å; V128-Q132 VanDerWaalsContact O-CB 3.29Å; V128-Q132 WeakPolarHBondContact O-CB 3.49Å; V128-Q132 WeakPolarHBondContact O-CG 3.36Å; V128-Q132 PolarHBondContact O-N 3.26Å
129	Y	91.3	Very high	92	Very high	32 Å²	32	61.3 Å²	61.3	13%	0.125	29%	0.291	C	S	.	.	I	π-helix	trans	-68.3	-46.9	-172	178.7	-94.9	0	0	0	112	G69 E70 Y73 M125 Q131 Q132 N133 V135	G69-Y129 VanDerWaalsContact C-CE2 3.48Å; E70-Y129 VanDerWaalsContact CA-CZ 3.44Å; E70-Y129 VanDerWaalsContact CA-OH 3.24Å; E70-Y129 WeakPolarHBondContact CA-OH 3.43Å; E70-Y129 HydrophobicContact CB-CE2 3.95Å; E70-Y129 WeakPolarHBondContact CB-OH 3.2Å; Y73-Y129 HydrophobicContact CD2-CD1 4.26Å; Y73-Y129 HydrophobicContact CD2-CE1 4.16Å; Y73-Y129 HydrophobicContact CG-CD1 4.36Å; Y73-Y129 AromaticContact CG-CE1 3.88Å; Y73-Y129 HydrophobicContact CG-CE1 3.88Å; M125-Y129 HydrophobicContact CG-CD1 4.28Å; M125-Y129 HydrophobicContact CG-CG 4.44Å; M125-Y129 PolarHBondContact O-N 3.31Å; Y129-Q131 PolarHBondContact O-N 3.41Å; Y129-Q132 PolarHBondContact O-N 3.29Å; Y129-N133 WeakPolarHBondContact CD2-ND2 3.35Å; Y129-N133 WeakPolarHBondContact CE2-ND2 3.46Å; Y129-N133 WeakPolarHBondContact O-CB 3.49Å; Y129-N133 PolarHBondContact O-N 2.66Å; Y129-N133 PolarHBondContact O-ND2 3.05Å; Y129-V135 HydrophobicContact CD1-CG2 4.46Å; Y129-V135 HydrophobicContact CE1-CG2 4.18Å
130	V	91.1	Very high	92	Very high	12 Å²	12	58.6 Å²	58.6	7%	0.073	28%	0.283	C	S	.	.	I	π-helix	trans	-61.5	-46.2	-178	171.9	0	0	0	0	110.9	Y73 M125 N133 N134 V135 N137	Y73-V130 HydrophobicContact CD2-CG2 4.29Å; Y73-V130 HydrophobicContact CE2-CG2 4.07Å; M125-V130 PolarHBondContact O-N 2.9Å; V130-N133 PolarHBondContact O-N 2.84Å; V130-N134 PolarHBondContact O-N 3.27Å; V130-V135 HydrophobicContact CB-CG2 4.25Å; V130-V135 HydrophobicContact CG1-CG2 4.28Å; V130-V135 WeakPolarHBondContact CG1-O 3.39Å; V130-V135 HydrophobicContact CG2-CG2 4.15Å; V130-V135 PolarHBondContact O-N 3.41Å; V130-N137 HydrophobicContact CG1-CB 4.27Å
131	Q	88.3	Confident	92.1	Very high	151 Å²	151	56.3 Å²	56.3	71%	0.706	27%	0.271	S	S	*	.	H	α-helix	trans	-64.9	-41.4	177	-67.6	-173.7	-1.6	0	0	113	R127 Y129 N133	R127-Q131 VanDerWaalsContact O-CD 3.29Å; R127-Q131 PolarHBondContact O-OE1 3Å; R127-Q131 VanDerWaalsContact O-OE1 3.09Å; Y129-Q131 PolarHBondContact O-N 3.41Å; Q131-N133 VanDerWaalsContact C-N 3.35Å; Q131-N133 PolarHBondContact O-N 2.95Å
132	Q	90.4	Very high	92.2	Very high	148 Å²	148	56 Å²	56	69%	0.692	27%	0.27	S	S	*	.	H	α-helix	trans	-68.8	-32.7	-179.2	-76.1	173	-0.4	0	0	113.1	V128 Y129	V128-Q132 VanDerWaalsContact O-CB 3.29Å; V128-Q132 WeakPolarHBondContact O-CB 3.49Å; V128-Q132 WeakPolarHBondContact O-CG 3.36Å; V128-Q132 PolarHBondContact O-N 3.26Å; Y129-Q132 PolarHBondContact O-N 3.29Å
133	N	90.4	Very high	92.3	Very high	80 Å²	80	56.2 Å²	56.2	43%	0.428	27%	0.27	S	S	.	.	H	α-helix	trans	-103.4	0.7	-174.9	-64.6	-84.8	0	0	0	113.3	Y129 V130 Q131 V135	Y129-N133 WeakPolarHBondContact CD2-ND2 3.35Å; Y129-N133 WeakPolarHBondContact CE2-ND2 3.46Å; Y129-N133 WeakPolarHBondContact O-CB 3.49Å; Y129-N133 PolarHBondContact O-N 2.66Å; Y129-N133 PolarHBondContact O-ND2 3.05Å; V130-N133 PolarHBondContact O-N 2.84Å; Q131-N133 VanDerWaalsContact C-N 3.35Å; Q131-N133 PolarHBondContact O-N 2.95Å; N133-V135 VanDerWaalsContact C-N 3.25Å; N133-V135 HydrophobicContact CB-CG1 4.31Å; N133-V135 HydrophobicContact CB-CG2 4.48Å; N133-V135 PolarHBondContact O-N 3.09Å
134	N	89.1	Confident	92.5	Very high	153 Å²	153	54.5 Å²	54.5	82%	0.818	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	44.1	-179.4	-163.9	55.1	0	0	0	112.9	V130	V130-N134 PolarHBondContact O-N 3.27Å
135	V	91.9	Very high	92.7	Very high	54 Å²	54	52.4 Å²	52.4	33%	0.327	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-103	169.8	174.7	-64.2	0	0	0	0	110.3	Y73 Y129 V130 N133	Y73-V135 HydrophobicContact CD2-CG2 4.31Å; Y73-V135 HydrophobicContact CE1-CB 4.34Å; Y73-V135 HydrophobicContact CE1-CG2 4.28Å; Y73-V135 HydrophobicContact CE2-CB 4.48Å; Y73-V135 HydrophobicContact CE2-CG2 3.79Å; Y129-V135 HydrophobicContact CD1-CG2 4.46Å; Y129-V135 HydrophobicContact CE1-CG2 4.18Å; V130-V135 HydrophobicContact CB-CG2 4.25Å; V130-V135 HydrophobicContact CG1-CG2 4.28Å; V130-V135 WeakPolarHBondContact CG1-O 3.39Å; V130-V135 HydrophobicContact CG2-CG2 4.15Å; V130-V135 PolarHBondContact O-N 3.41Å; N133-V135 VanDerWaalsContact C-N 3.25Å; N133-V135 HydrophobicContact CB-CG1 4.31Å; N133-V135 HydrophobicContact CB-CG2 4.48Å; N133-V135 PolarHBondContact O-N 3.09Å
136	E	92.5	Very high	93	Very high	81 Å²	81	52.4 Å²	52.4	38%	0.379	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-68.6	143.5	178.5	-69.2	-65.3	163.8	0	0	111.8	Y73 N140 I144	Y73-E136 WeakPolarHBondContact CE2-O 3.06Å; Y73-E136 PolarHBondContact OH-N 3.02Å; Y73-E136 PolarHBondContact OH-O 2.92Å; E136-N140 HydrophobicContact CB-CB 4.32Å; E136-N140 PolarHBondContact OE2-ND2 3.45Å; E136-I144 HydrophobicContact CB-CD1 4.36Å; E136-I144 HydrophobicContact CG-CD1 3.71Å
137	N	94.3	Very high	93.2	Very high	54 Å²	54	53.4 Å²	53.4	29%	0.289	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-63.5	160.1	173.1	72.5	57.2	0	0	0	111.2	D126 V130 Y139 N140 L141	D126-N137 WeakPolarHBondContact OD1-CA 3.34Å; D126-N137 WeakPolarHBondContact OD1-CB 3.45Å; V130-N137 HydrophobicContact CG1-CB 4.27Å; N137-Y139 VanDerWaalsContact C-N 3.27Å; N137-Y139 PolarHBondContact O-N 3.27Å; N137-Y139 PolarHBondContact OD1-N 3.38Å; N137-Y139 VanDerWaalsContact OD1-N 3.09Å; N137-N140 VanDerWaalsContact ND2-CG 3.32Å; N137-N140 PolarHBondContact ND2-ND2 3.39Å; N137-N140 VanDerWaalsContact ND2-ND2 3.18Å; N137-N140 PolarHBondContact O-N 2.83Å; N137-N140 WeakPolarHBondContact OD1-CB 3.5Å; N137-N140 PolarHBondContact OD1-N 2.87Å; N137-L141 WeakPolarHBondContact O-CB 3.44Å; N137-L141 PolarHBondContact O-N 2.93Å
138	V	94.1	Very high	93.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-53.7	-43.6	-175.2	166.9	0	0	0	0	112.5	L76 M115 I118 R119 L122 M125 D126 G142	L76-V138 HydrophobicContact CD2-CB 4.35Å; L76-V138 HydrophobicContact CD2-CG1 3.89Å; L76-V138 HydrophobicContact CD2-CG2 3.87Å; M115-V138 HydrophobicContact CE-CG1 3.82Å; M115-V138 WeakPolarHBondContact CE-O 3.22Å; I118-V138 HydrophobicContact CG2-CG1 4Å; R119-V138 HydrophobicContact CB-CB 4.44Å; R119-V138 HydrophobicContact CB-CG1 4.07Å; L122-V138 HydrophobicContact CB-CG2 4.07Å; L122-V138 HydrophobicContact CD1-CG1 4.43Å; L122-V138 HydrophobicContact CD1-CG2 4.25Å; M125-V138 HydrophobicContact CE-CG2 3.15Å; D126-V138 WeakPolarHBondContact OD1-CG2 3.43Å; D126-V138 PolarHBondContact OD1-N 3Å; V138-G142 PolarHBondContact O-N 3.41Å; V138-G142 VanDerWaalsContact O-N 3.12Å
139	Y	94.9	Very high	93.7	Very high	45 Å²	45	50.5 Å²	50.5	18%	0.176	25%	0.249	C	C	.	.	H	α-helix	trans	-66.4	-51	-178.4	-172.4	-101.1	0	0	0	111.3	Q112 M115 V116 N137 L141 G142 L143	Q112-Y139 PolarHBondContact NE2-OH 3.14Å; M115-Y139 HydrophobicContact CB-CD2 3.86Å; M115-Y139 HydrophobicContact CB-CE2 4.07Å; V116-Y139 HydrophobicContact CG2-CD2 4.26Å; V116-Y139 HydrophobicContact CG2-CE2 3.77Å; N137-Y139 VanDerWaalsContact C-N 3.27Å; N137-Y139 PolarHBondContact O-N 3.27Å; N137-Y139 PolarHBondContact OD1-N 3.38Å; N137-Y139 VanDerWaalsContact OD1-N 3.09Å; Y139-L141 VanDerWaalsContact C-N 3.32Å; Y139-L141 PolarHBondContact O-N 3.28Å; Y139-G142 WeakPolarHBondContact O-CA 3.47Å; Y139-G142 PolarHBondContact O-N 2.97Å; Y139-G142 VanDerWaalsContact O-N 3.07Å; Y139-L143 HydrophobicContact CD1-CD1 4.13Å; Y139-L143 HydrophobicContact CD1-CG 4.27Å; Y139-L143 HydrophobicContact CE1-CD1 3.73Å; Y139-L143 HydrophobicContact CE1-CD2 4.11Å; Y139-L143 HydrophobicContact CE1-CG 4.08Å; Y139-L143 WeakPolarHBondContact O-CG 3.24Å; Y139-L143 PolarHBondContact O-N 2.87Å; Y139-L143 VanDerWaalsContact O-N 3.07Å
140	N	94.6	Very high	93.9	Very high	31 Å²	31	49 Å²	49	17%	0.166	24%	0.243	C	C	.	.	H	α-helix	trans	-59.2	-41.7	177.4	-73.8	6.6	0	0	0	112	E136 N137 G142 L143 I144 L194	E136-N140 HydrophobicContact CB-CB 4.32Å; E136-N140 PolarHBondContact OE2-ND2 3.45Å; N137-N140 VanDerWaalsContact ND2-CG 3.32Å; N137-N140 PolarHBondContact ND2-ND2 3.39Å; N137-N140 VanDerWaalsContact ND2-ND2 3.18Å; N137-N140 PolarHBondContact O-N 2.83Å; N137-N140 WeakPolarHBondContact OD1-CB 3.5Å; N137-N140 PolarHBondContact OD1-N 2.87Å; N140-G142 VanDerWaalsContact C-N 3.29Å; N140-G142 PolarHBondContact O-N 3.33Å; N140-L143 WeakPolarHBondContact O-CB 3.45Å; N140-L143 PolarHBondContact O-N 3.38Å; N140-L143 VanDerWaalsContact O-N 3.1Å; N140-I144 WeakPolarHBondContact O-CG1 3.32Å; N140-I144 PolarHBondContact O-N 2.9Å; N140-L194 HydrophobicContact CB-CD2 4.08Å
141	L	95	Very high	94.1	Very high	9 Å²	9	48.4 Å²	48.4	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-56.8	-45.6	174.4	178.1	66.6	0	0	0	110.7	Y73 L76 R77 N137 Y139 L143 I144 I145	Y73-L141 HydrophobicContact CE1-CD2 4.02Å; Y73-L141 HydrophobicContact CE2-CD2 4.03Å; L76-L141 HydrophobicContact CD2-CD2 4.23Å; R77-L141 HydrophobicContact CB-CD2 4.2Å; R77-L141 HydrophobicContact CG-CD1 4.41Å; N137-L141 WeakPolarHBondContact O-CB 3.44Å; N137-L141 PolarHBondContact O-N 2.93Å; Y139-L141 VanDerWaalsContact C-N 3.32Å; Y139-L141 PolarHBondContact O-N 3.28Å; L141-L143 VanDerWaalsContact C-N 3.31Å; L141-L143 PolarHBondContact O-N 2.99Å; L141-I144 PolarHBondContact O-N 3.21Å; L141-I145 HydrophobicContact CD1-CD1 4.22Å; L141-I145 HydrophobicContact CD1-CG1 4.41Å; L141-I145 HydrophobicContact CG-CD1 3.97Å; L141-I145 VanDerWaalsContact O-CG1 3.23Å; L141-I145 WeakPolarHBondContact O-CG1 3.44Å; L141-I145 PolarHBondContact O-N 3.36Å
142	G	95.7	Very high	94.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.1	-40.8	174.9	0	0	0	0	0	113	H111 V138 Y139 N140 I145 F146	H111-G142 PolarHBondContact NE2-O 3.36Å; V138-G142 PolarHBondContact O-N 3.41Å; V138-G142 VanDerWaalsContact O-N 3.12Å; Y139-G142 WeakPolarHBondContact O-CA 3.47Å; Y139-G142 PolarHBondContact O-N 2.97Å; Y139-G142 VanDerWaalsContact O-N 3.07Å; N140-G142 VanDerWaalsContact C-N 3.29Å; N140-G142 PolarHBondContact O-N 3.33Å; G142-I145 PolarHBondContact O-N 3.44Å; G142-F146 PolarHBondContact O-N 3.44Å
143	L	96.4	Very high	94.6	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-66.2	-43.1	176.9	-56.4	-165.7	0	0	0	112	W108 Y139 N140 L141 I145 F146 R147 I191 L192 L194	W108-L143 HydrophobicContact CH2-CD2 3.53Å; W108-L143 HydrophobicContact CH2-CG 4.46Å; W108-L143 HydrophobicContact CZ3-CD2 3.81Å; Y139-L143 HydrophobicContact CD1-CD1 4.13Å; Y139-L143 HydrophobicContact CD1-CG 4.27Å; Y139-L143 HydrophobicContact CE1-CD1 3.73Å; Y139-L143 HydrophobicContact CE1-CD2 4.11Å; Y139-L143 HydrophobicContact CE1-CG 4.08Å; Y139-L143 WeakPolarHBondContact O-CG 3.24Å; Y139-L143 PolarHBondContact O-N 2.87Å; Y139-L143 VanDerWaalsContact O-N 3.07Å; N140-L143 WeakPolarHBondContact O-CB 3.45Å; N140-L143 PolarHBondContact O-N 3.38Å; N140-L143 VanDerWaalsContact O-N 3.1Å; L141-L143 VanDerWaalsContact C-N 3.31Å; L141-L143 PolarHBondContact O-N 2.99Å; L143-I145 VanDerWaalsContact C-N 3.35Å; L143-I145 PolarHBondContact O-N 3.09Å; L143-F146 PolarHBondContact O-N 3.41Å; L143-R147 WeakPolarHBondContact O-CB 3.48Å; L143-R147 PolarHBondContact O-N 3.42Å; L143-I191 HydrophobicContact CD1-CG2 3.78Å; L143-L192 HydrophobicContact CB-CD2 4.34Å; L143-L192 WeakPolarHBondContact O-CD2 3.43Å; L143-L194 HydrophobicContact CB-CD2 3.97Å; L143-L194 HydrophobicContact CD1-CD2 3.85Å; L143-L194 HydrophobicContact CG-CD2 4.42Å
144	I	95.6	Very high	94.5	Very high	31 Å²	31	40.3 Å²	40.3	16%	0.159	21%	0.206	C	C	.	.	H	α-helix	trans	-59.7	-45.7	176.6	-71.5	165.1	0	0	0	110.7	E136 N140 L141 F146 R147 D148 L194	E136-I144 HydrophobicContact CB-CD1 4.36Å; E136-I144 HydrophobicContact CG-CD1 3.71Å; N140-I144 WeakPolarHBondContact O-CG1 3.32Å; N140-I144 PolarHBondContact O-N 2.9Å; L141-I144 PolarHBondContact O-N 3.21Å; I144-F146 VanDerWaalsContact C-N 3.34Å; I144-F146 PolarHBondContact O-N 2.95Å; I144-R147 WeakPolarHBondContact O-CB 3.27Å; I144-R147 PolarHBondContact O-N 2.96Å; I144-D148 WeakPolarHBondContact O-CB 3.27Å; I144-D148 PolarHBondContact O-N 2.65Å; I144-L194 HydrophobicContact CD1-CD1 3.87Å; I144-L194 HydrophobicContact CG1-CD1 3.87Å
145	I	96.8	Very high	94.7	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.041	19%	0.189	C	C	.	.	H	α-helix	trans	-65.2	-40.9	179	-57.3	161.7	0	0	0	110	R77 V80 T81 L84 L141 G142 L143 D148 Q149	R77-I145 HydrophobicContact CG-CD1 4.03Å; V80-I145 HydrophobicContact CB-CD1 4.04Å; V80-I145 HydrophobicContact CG1-CB 4.44Å; V80-I145 HydrophobicContact CG1-CD1 3.83Å; V80-I145 HydrophobicContact CG1-CG2 4.4Å; T81-I145 WeakPolarHBondContact OG1-CG2 3.3Å; L84-I145 HydrophobicContact CD1-CB 3.98Å; L84-I145 HydrophobicContact CD1-CG2 3.5Å; L84-I145 VanDerWaalsContact CD1-CG2 3.5Å; L141-I145 HydrophobicContact CD1-CD1 4.22Å; L141-I145 HydrophobicContact CD1-CG1 4.41Å; L141-I145 HydrophobicContact CG-CD1 3.97Å; L141-I145 VanDerWaalsContact O-CG1 3.23Å; L141-I145 WeakPolarHBondContact O-CG1 3.44Å; L141-I145 PolarHBondContact O-N 3.36Å; G142-I145 PolarHBondContact O-N 3.44Å; L143-I145 VanDerWaalsContact C-N 3.35Å; L143-I145 PolarHBondContact O-N 3.09Å; I145-D148 PolarHBondContact O-N 3.04Å; I145-Q149 HydrophobicContact CG2-CB 4.38Å; I145-Q149 HydrophobicContact CG2-CG 3.76Å; I145-Q149 WeakPolarHBondContact O-CA 3.33Å; I145-Q149 WeakPolarHBondContact O-CB 3.39Å; I145-Q149 WeakPolarHBondContact O-CG 3.27Å; I145-Q149 PolarHBondContact O-N 2.81Å
146	F	97.4	Very high	94.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.7	-44.1	175.5	-169	-86.8	0	0	0	112.2	L84 V88 L104 W108 H111 G142 L143 I144 V150 V151 M188 L192	L84-F146 HydrophobicContact CD1-CB 4.28Å; L84-F146 HydrophobicContact CD2-CD2 3.76Å; L84-F146 HydrophobicContact CD2-CE2 4.36Å; V88-F146 HydrophobicContact CG1-CE2 4.16Å; L104-F146 HydrophobicContact CD1-CZ 4.28Å; W108-F146 HydrophobicContact CB-CE1 4.28Å; W108-F146 HydrophobicContact CB-CZ 3.96Å; W108-F146 HydrophobicContact CD2-CE1 4.37Å; W108-F146 AromaticContact CE3-CD1 3.59Å; W108-F146 HydrophobicContact CE3-CD1 3.59Å; W108-F146 HydrophobicContact CE3-CD2 4.39Å; W108-F146 AromaticContact CE3-CE1 3.6Å; W108-F146 HydrophobicContact CE3-CE1 3.6Å; W108-F146 HydrophobicContact CE3-CE2 4.41Å; W108-F146 HydrophobicContact CE3-CG 4.01Å; W108-F146 HydrophobicContact CE3-CZ 4.03Å; W108-F146 HydrophobicContact CZ3-CB 4.45Å; W108-F146 AromaticContact CZ3-CD1 3.87Å; W108-F146 HydrophobicContact CZ3-CD1 3.87Å; W108-F146 HydrophobicContact CZ3-CE1 4.33Å; W108-F146 HydrophobicContact CZ3-CG 4.16Å; H111-F146 HydrophobicContact CB-CD2 3.94Å; H111-F146 HydrophobicContact CB-CE2 4.08Å; H111-F146 AromaticContact CD2-CD2 3.55Å; H111-F146 AromaticContact CD2-CG 3.84Å; H111-F146 AromaticContact CG-CD2 3.71Å; G142-F146 PolarHBondContact O-N 3.44Å; L143-F146 PolarHBondContact O-N 3.41Å; I144-F146 VanDerWaalsContact C-N 3.34Å; I144-F146 PolarHBondContact O-N 2.95Å; F146-V150 HydrophobicContact CD1-CB 4.47Å; F146-V150 HydrophobicContact CD2-CB 4.41Å; F146-V150 HydrophobicContact CD2-CG2 4.1Å; F146-V150 HydrophobicContact CE1-CB 4.41Å; F146-V150 HydrophobicContact CE1-CG1 4.49Å; F146-V150 HydrophobicContact CE2-CB 4.35Å; F146-V150 HydrophobicContact CE2-CG1 4.38Å; F146-V150 HydrophobicContact CE2-CG2 4.22Å; F146-V150 HydrophobicContact CG-CB 4.48Å; F146-V150 HydrophobicContact CG-CG2 4.48Å; F146-V150 HydrophobicContact CZ-CB 4.34Å; F146-V150 HydrophobicContact CZ-CG1 4.14Å; F146-V150 WeakPolarHBondContact O-CA 3.29Å; F146-V150 VanDerWaalsContact O-CB 3.29Å; F146-V150 WeakPolarHBondContact O-CB 3.41Å; F146-V150 PolarHBondContact O-N 3.12Å; F146-V151 HydrophobicContact CD1-CG2 3.83Å; F146-V151 HydrophobicContact CE1-CG2 3.55Å; F146-V151 PolarHBondContact O-N 3.4Å; F146-M188 HydrophobicContact CE1-SD 4.05Å; F146-L192 HydrophobicContact CD1-CD1 4.38Å; F146-L192 HydrophobicContact CD1-CD2 4.12Å
147	R	96.4	Very high	94.9	Very high	48 Å²	48	33.9 Å²	33.9	18%	0.181	17%	0.171	C	C	.	.	I	π-helix	trans	-55.6	-54.8	174.9	-176.8	-167.4	67	-159.2	-1.4	110.9	L143 I144 V151 R152 L192 V199	L143-R147 WeakPolarHBondContact O-CB 3.48Å; L143-R147 PolarHBondContact O-N 3.42Å; I144-R147 WeakPolarHBondContact O-CB 3.27Å; I144-R147 PolarHBondContact O-N 2.96Å; R147-V151 PolarHBondContact O-N 2.92Å; R147-R152 HydrophobicContact CG-CG 4.27Å; R147-R152 WeakPolarHBondContact O-CB 3.46Å; R147-R152 PolarHBondContact O-N 3.45Å; R147-L192 HydrophobicContact CB-CB 4.41Å; R147-L192 HydrophobicContact CB-CD1 4.46Å; R147-L192 HydrophobicContact CB-CD2 4.09Å; R147-L192 HydrophobicContact CG-CB 4.43Å; R147-V199 VanDerWaalsContact CD-CG2 3.49Å; R147-V199 HydrophobicContact CG-CG2 4.23Å
148	D	95.7	Very high	94.8	Very high	61 Å²	61	34.6 Å²	34.6	33%	0.326	18%	0.175	S	C	.	.	I	π-helix	trans	-77.8	-35.7	-169.7	-65.5	-18.3	0	0	0	112.2	I144 I145	I144-D148 WeakPolarHBondContact O-CB 3.27Å; I144-D148 PolarHBondContact O-N 2.65Å; I145-D148 PolarHBondContact O-N 3.04Å
149	Q	96	Very high	94.9	Very high	59 Å²	59	37.3 Å²	37.3	28%	0.276	19%	0.187	S	C	.	.	I	π-helix	trans	-95.9	-19.4	-174.6	-55	-58.2	-35.5	0	0	113.6	T81 I85 R89 I145 Y153	T81-Q149 HydrophobicContact CG2-CG 4.33Å; I85-Q149 HydrophobicContact CG1-CB 4.29Å; I85-Q149 HydrophobicContact CG1-CG 4.48Å; R89-Q149 PolarHBondContact NE-O 3.47Å; R89-Q149 VanDerWaalsContact NH2-CA 3.32Å; R89-Q149 PolarHBondContact NH2-O 2.91Å; I145-Q149 HydrophobicContact CG2-CB 4.38Å; I145-Q149 HydrophobicContact CG2-CG 3.76Å; I145-Q149 WeakPolarHBondContact O-CA 3.33Å; I145-Q149 WeakPolarHBondContact O-CB 3.39Å; I145-Q149 WeakPolarHBondContact O-CG 3.27Å; I145-Q149 PolarHBondContact O-N 2.81Å; Q149-Y153 WeakPolarHBondContact O-CB 3.38Å
150	V	96	Very high	94.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	I	π-helix	trans	-116.4	-64.2	179.7	-173.7	0	0	0	0	110.5	L84 V88 V92 L104 F146 Y153 I156	L84-V150 HydrophobicContact CB-CG2 4.21Å; L84-V150 HydrophobicContact CD2-CG2 4.15Å; V88-V150 HydrophobicContact CG1-CG1 4.38Å; V88-V150 HydrophobicContact CG1-CG2 4.15Å; V92-V150 HydrophobicContact CG2-CG1 4.19Å; L104-V150 HydrophobicContact CD1-CG1 4.22Å; F146-V150 HydrophobicContact CD1-CB 4.47Å; F146-V150 HydrophobicContact CD2-CB 4.41Å; F146-V150 HydrophobicContact CD2-CG2 4.1Å; F146-V150 HydrophobicContact CE1-CB 4.41Å; F146-V150 HydrophobicContact CE1-CG1 4.49Å; F146-V150 HydrophobicContact CE2-CB 4.35Å; F146-V150 HydrophobicContact CE2-CG1 4.38Å; F146-V150 HydrophobicContact CE2-CG2 4.22Å; F146-V150 HydrophobicContact CG-CB 4.48Å; F146-V150 HydrophobicContact CG-CG2 4.48Å; F146-V150 HydrophobicContact CZ-CB 4.34Å; F146-V150 HydrophobicContact CZ-CG1 4.14Å; F146-V150 WeakPolarHBondContact O-CA 3.29Å; F146-V150 VanDerWaalsContact O-CB 3.29Å; F146-V150 WeakPolarHBondContact O-CB 3.41Å; F146-V150 PolarHBondContact O-N 3.12Å; V150-Y153 WeakPolarHBondContact O-CB 3.48Å; V150-Y153 PolarHBondContact O-N 2.97Å; V150-I156 WeakPolarHBondContact O-CD1 3.34Å
151	V	95.6	Very high	94.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-68.8	-44.1	-170.7	178.1	0	0	0	0	112.4	F146 R147 Y153 R157 L160 M188 L189 L192	F146-V151 HydrophobicContact CD1-CG2 3.83Å; F146-V151 HydrophobicContact CE1-CG2 3.55Å; F146-V151 PolarHBondContact O-N 3.4Å; R147-V151 PolarHBondContact O-N 2.92Å; V151-Y153 VanDerWaalsContact C-N 3.29Å; V151-Y153 PolarHBondContact O-N 2.91Å; V151-R157 VanDerWaalsContact O-CA 3.29Å; V151-R157 WeakPolarHBondContact O-CA 3.41Å; V151-R157 WeakPolarHBondContact O-CB 3.28Å; V151-R157 PolarHBondContact O-N 3.07Å; V151-L160 HydrophobicContact CG1-CD2 4.15Å; V151-M188 HydrophobicContact CG1-CE 4.49Å; V151-M188 HydrophobicContact CG2-CE 3.98Å; V151-M188 HydrophobicContact CG2-SD 4.21Å; V151-L189 HydrophobicContact CG1-CD2 3.91Å; V151-L192 HydrophobicContact CB-CD1 4.21Å; V151-L192 HydrophobicContact CG1-CD1 4.38Å; V151-L192 HydrophobicContact CG2-CD1 3.69Å
152	R	94.9	Very high	94.9	Very high	70 Å²	70	41 Å²	41	26%	0.264	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	7.4	179.4	-68.8	-173.1	165.9	-168	-12.2	113.6	R147 G154 E202 D203	R147-R152 HydrophobicContact CG-CG 4.27Å; R147-R152 WeakPolarHBondContact O-CB 3.46Å; R147-R152 PolarHBondContact O-N 3.45Å; R152-G154 PolarHBondContact O-N 2.69Å; R152-E202 IonicContact CZ-OE2 2.62Å; R152-E202 IonicContact NH1-OE2 3.83Å; R152-E202 IonicContact NH2-OE2 3.59Å; R152-E202 PolarHBondContact NH2-OE2 2.95Å; R152-D203 IonicContact CZ-OD2 2.82Å; R152-D203 IonicContact NE-OD1 3.8Å; R152-D203 IonicContact NE-OD2 2.79Å; R152-D203 PolarHBondContact NE-OD2 3.45Å; R152-D203 IonicContact NH2-OD1 3.7Å; R152-D203 IonicContact NH2-OD2 2.76Å; R152-D203 PolarHBondContact NH2-OD2 3.43Å
153	Y	94.3	Very high	94.9	Very high	89 Å²	89	42.5 Å²	42.5	35%	0.349	21%	0.212	S	C	.	.	S	Bend	trans	-78.6	122.8	-178.1	178.3	-99.5	0	0	0	112.2	R89 L93 Q149 V150 V151 C155 I156	R89-Y153 HydrophobicContact CG-CD1 3.88Å; R89-Y153 HydrophobicContact CG-CE1 4.17Å; R89-Y153 HydrophobicContact CG-CG 4.31Å; R89-Y153 VanDerWaalsContact CZ-CE2 3.45Å; L93-Y153 HydrophobicContact CD1-CE1 4.01Å; L93-Y153 HydrophobicContact CD2-CD1 4.47Å; L93-Y153 HydrophobicContact CD2-CE1 4.37Å; Q149-Y153 WeakPolarHBondContact O-CB 3.38Å; V150-Y153 WeakPolarHBondContact O-CB 3.48Å; V150-Y153 PolarHBondContact O-N 2.97Å; V151-Y153 VanDerWaalsContact C-N 3.29Å; V151-Y153 PolarHBondContact O-N 2.91Å; Y153-C155 PolarHBondContact O-N 2.94Å; Y153-I156 HydrophobicContact CD1-CD1 4.07Å; Y153-I156 WeakPolarHBondContact O-CB 3.4Å; Y153-I156 PolarHBondContact O-N 3.35Å
154	G	86.9	Confident	94.9	Very high	50 Å²	50	42.3 Å²	42.3	52%	0.515	21%	0.211	S	C	.	.	H	α-helix	trans	46.7	-122	166.8	0	0	0	0	0	113.1	R152	R152-G154 PolarHBondContact O-N 2.69Å
155	C	92.8	Very high	94.9	Very high	67 Å²	67	41.3 Å²	41.3	45%	0.453	21%	0.206	S	C	.	.	H	α-helix	trans	-79.9	-12.6	-179.2	58.1	0	0	0	0	115	Y153 R157 D158 H159	Y153-C155 PolarHBondContact O-N 2.94Å; C155-R157 PolarHBondContact O-N 2.83Å; C155-D158 PolarHBondContact O-N 3.46Å; C155-H159 WeakPolarHBondContact O-CB 3.25Å; C155-H159 PolarHBondContact O-N 2.69Å
156	I	95.1	Very high	94.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.3	-44.6	-175.7	-64.3	174.3	0	0	0	110.4	R89 V92 L93 F100 V150 Y153 H159 L160	R89-I156 HydrophobicContact CG-CD1 4.28Å; V92-I156 HydrophobicContact CB-CD1 4.31Å; V92-I156 HydrophobicContact CG1-CD1 3.8Å; V92-I156 HydrophobicContact CG1-CG1 4.23Å; V92-I156 HydrophobicContact CG1-CG2 4.01Å; L93-I156 HydrophobicContact CD2-CD1 3.85Å; L93-I156 HydrophobicContact CD2-CG1 3.7Å; L93-I156 HydrophobicContact CG-CD1 4.07Å; L93-I156 HydrophobicContact CG-CG1 4.44Å; F100-I156 HydrophobicContact CE2-CG2 4.12Å; F100-I156 HydrophobicContact CZ-CG2 4Å; V150-I156 WeakPolarHBondContact O-CD1 3.34Å; Y153-I156 HydrophobicContact CD1-CD1 4.07Å; Y153-I156 WeakPolarHBondContact O-CB 3.4Å; Y153-I156 PolarHBondContact O-N 3.35Å; I156-H159 PolarHBondContact O-N 3.46Å; I156-L160 VanDerWaalsContact O-CB 3.29Å; I156-L160 WeakPolarHBondContact O-CB 3.45Å; I156-L160 PolarHBondContact O-N 2.81Å
157	R	94	Very high	94.7	Very high	85 Å²	85	45.2 Å²	45.2	32%	0.321	23%	0.226	S	C	.	.	H	α-helix	trans	-58.3	-52.7	179.2	-173.7	-168.1	63.1	-164.4	-7.6	111.6	V151 C155 H159 L160 R161 D203	V151-R157 VanDerWaalsContact O-CA 3.29Å; V151-R157 WeakPolarHBondContact O-CA 3.41Å; V151-R157 WeakPolarHBondContact O-CB 3.28Å; V151-R157 PolarHBondContact O-N 3.07Å; C155-R157 PolarHBondContact O-N 2.83Å; R157-H159 VanDerWaalsContact C-N 3.31Å; R157-H159 PolarHBondContact O-N 3.47Å; R157-L160 PolarHBondContact O-N 3.38Å; R157-R161 WeakPolarHBondContact O-CB 3.38Å; R157-R161 PolarHBondContact O-N 3.31Å; R157-D203 WeakPolarHBondContact CD-OD1 3.38Å; R157-D203 HydrophobicContact CG-CB 4.49Å
158	D	93.6	Very high	94.6	Very high	70 Å²	70	42.9 Å²	42.9	37%	0.374	22%	0.217	S	C	.	.	H	α-helix	trans	-69.1	-35.3	-174.6	-59.5	-22.4	0	0	0	110.3	C155 R161 Q162	C155-D158 PolarHBondContact O-N 3.46Å; D158-R161 IonicContact OD1-NH1 3.8Å; D158-Q162 WeakPolarHBondContact O-CB 3.48Å; D158-Q162 PolarHBondContact O-N 3.37Å
159	H	95.1	Very high	94.5	Very high	57 Å²	57	41 Å²	41	26%	0.264	21%	0.21	S	C	.	.	H	α-helix	trans	-68.9	-41.2	174.2	-168.8	79.4	0	0	0	112.9	L96 F100 C155 I156 R157 Q162 T163	L96-H159 HydrophobicContact CD2-CB 3.96Å; L96-H159 PolarHBondContact O-NE2 2.94Å; F100-H159 AromaticContact CD1-CD2 3.81Å; F100-H159 AromaticContact CE1-CD2 3.94Å; F100-H159 AromaticContact CG-CD2 3.98Å; C155-H159 WeakPolarHBondContact O-CB 3.25Å; C155-H159 PolarHBondContact O-N 2.69Å; I156-H159 PolarHBondContact O-N 3.46Å; R157-H159 VanDerWaalsContact C-N 3.31Å; R157-H159 PolarHBondContact O-N 3.47Å; H159-Q162 PolarHBondContact O-N 3.24Å; H159-T163 VanDerWaalsContact O-CB 3.29Å; H159-T163 WeakPolarHBondContact O-CB 3.47Å; H159-T163 PolarHBondContact O-N 3.45Å; H159-T163 PolarHBondContact O-OG1 3.48Å
160	L	95.4	Very high	94.4	Very high	4 Å²	4	43 Å²	43	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-59.4	-49.6	173.9	174.6	61.7	0	0	0	110.6	F100 L101 L104 V151 I156 R157 T163 L164 A185 M188 L189	F100-L160 HydrophobicContact CE1-CB 3.89Å; F100-L160 HydrophobicContact CE1-CD1 3.88Å; F100-L160 HydrophobicContact CZ-CB 4.02Å; L101-L160 HydrophobicContact CD2-CD1 3.51Å; L104-L160 HydrophobicContact CD2-CD1 4.03Å; L104-L160 HydrophobicContact CD2-CD2 4.08Å; V151-L160 HydrophobicContact CG1-CD2 4.15Å; I156-L160 VanDerWaalsContact O-CB 3.29Å; I156-L160 WeakPolarHBondContact O-CB 3.45Å; I156-L160 PolarHBondContact O-N 2.81Å; R157-L160 PolarHBondContact O-N 3.38Å; L160-T163 PolarHBondContact O-N 3.21Å; L160-L164 HydrophobicContact CD1-CD1 3.96Å; L160-L164 HydrophobicContact CD1-CG 4.13Å; L160-L164 HydrophobicContact CG-CD1 4.19Å; L160-L164 VanDerWaalsContact O-CG 3.3Å; L160-L164 WeakPolarHBondContact O-CG 3.36Å; L160-L164 PolarHBondContact O-N 3.37Å; L160-A185 HydrophobicContact CD1-CB 4.34Å; L160-M188 HydrophobicContact CD2-CE 4.06Å; L160-L189 HydrophobicContact CD2-CD2 4.27Å
161	R	94.9	Very high	94.3	Very high	60 Å²	60	44 Å²	44	23%	0.226	22%	0.22	C	C	.	.	H	α-helix	trans	-54.8	-56.2	175.2	-179.7	-171	-62.9	159.1	-1.3	110.7	R157 D158 T163 L164 L165 D203 P207	R157-R161 WeakPolarHBondContact O-CB 3.38Å; R157-R161 PolarHBondContact O-N 3.31Å; D158-R161 IonicContact OD1-NH1 3.8Å; R161-T163 VanDerWaalsContact C-N 3.31Å; R161-T163 PolarHBondContact O-N 2.84Å; R161-L164 PolarHBondContact O-N 3.49Å; R161-L165 HydrophobicContact CG-CD1 3.84Å; R161-L165 HydrophobicContact CG-CG 4.33Å; R161-L165 WeakPolarHBondContact O-CB 3.04Å; R161-L165 VanDerWaalsContact O-CG 3.25Å; R161-L165 WeakPolarHBondContact O-CG 3.2Å; R161-L165 PolarHBondContact O-N 3.25Å; R161-D203 PolarHBondContact NE-O 3.21Å; R161-P207 HydrophobicContact CG-CB 4.17Å; R161-P207 HydrophobicContact CG-CG 4.41Å
162	Q	94.9	Very high	94.2	Very high	97 Å²	97	44.5 Å²	44.5	45%	0.453	22%	0.222	S	C	.	.	H	α-helix	trans	-58.8	-43.2	-177.3	-171.9	59.8	43	0	0	112	D158 H159 L164 L165 D166	D158-Q162 WeakPolarHBondContact O-CB 3.48Å; D158-Q162 PolarHBondContact O-N 3.37Å; H159-Q162 PolarHBondContact O-N 3.24Å; Q162-L164 PolarHBondContact O-N 2.88Å; Q162-L165 PolarHBondContact O-N 3.07Å; Q162-D166 WeakPolarHBondContact CG-OD2 3.12Å; Q162-D166 PolarHBondContact NE2-OD1 3.3Å; Q162-D166 PolarHBondContact NE2-OD2 3.46Å; Q162-D166 WeakPolarHBondContact O-CB 3.17Å; Q162-D166 VanDerWaalsContact O-CG 3.3Å; Q162-D166 PolarHBondContact O-N 2.99Å
163	T	95.1	Very high	94	Very high	33 Å²	33	48.6 Å²	48.6	20%	0.202	24%	0.242	C	C	.	.	H	α-helix	trans	-60.1	-47.5	178.6	-58.7	0	0	0	0	111.7	L101 H159 L160 R161 D166 M167	L101-T163 HydrophobicContact CD1-CG2 3.97Å; L101-T163 HydrophobicContact CD2-CG2 4.42Å; L101-T163 HydrophobicContact CG-CG2 4.09Å; H159-T163 VanDerWaalsContact O-CB 3.29Å; H159-T163 WeakPolarHBondContact O-CB 3.47Å; H159-T163 PolarHBondContact O-N 3.45Å; H159-T163 PolarHBondContact O-OG1 3.48Å; L160-T163 PolarHBondContact O-N 3.21Å; R161-T163 VanDerWaalsContact C-N 3.31Å; R161-T163 PolarHBondContact O-N 2.84Å; T163-D166 PolarHBondContact O-N 3.26Å; T163-M167 HydrophobicContact CG2-SD 4.34Å; T163-M167 VanDerWaalsContact O-CG 3.27Å; T163-M167 WeakPolarHBondContact O-CG 3.26Å; T163-M167 PolarHBondContact O-N 2.97Å
164	L	95.7	Very high	93.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.2	-43.3	179.3	-65.2	175.7	0	0	0	111.5	L101 L160 R161 Q162 M167 I168 I182 A185 F204	L101-L164 HydrophobicContact CD1-CD2 4.23Å; L101-L164 HydrophobicContact CD2-CD2 4.29Å; L160-L164 HydrophobicContact CD1-CD1 3.96Å; L160-L164 HydrophobicContact CD1-CG 4.13Å; L160-L164 HydrophobicContact CG-CD1 4.19Å; L160-L164 VanDerWaalsContact O-CG 3.3Å; L160-L164 WeakPolarHBondContact O-CG 3.36Å; L160-L164 PolarHBondContact O-N 3.37Å; R161-L164 PolarHBondContact O-N 3.49Å; Q162-L164 PolarHBondContact O-N 2.88Å; L164-M167 PolarHBondContact O-N 3.48Å; L164-I168 WeakPolarHBondContact O-CG1 3.44Å; L164-I168 PolarHBondContact O-N 3.46Å; L164-I168 VanDerWaalsContact O-N 3.12Å; L164-I182 HydrophobicContact CD2-CB 4.42Å; L164-I182 HydrophobicContact CD2-CG1 4.27Å; L164-I182 HydrophobicContact CD2-CG2 4.43Å; L164-A185 HydrophobicContact CD1-CB 4Å; L164-A185 HydrophobicContact CD2-CB 3.85Å; L164-F204 HydrophobicContact CB-CD2 4.02Å; L164-F204 HydrophobicContact CB-CE2 3.7Å; L164-F204 HydrophobicContact CD1-CD2 3.77Å; L164-F204 HydrophobicContact CD1-CE2 4.09Å
165	L	95.9	Very high	94.1	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.052	25%	0.253	C	S	.	.	H	α-helix	trans	-62.6	-44.5	177.7	-68.9	-176.1	0	0	0	112.1	R161 Q162 M167 I168 A169 F204 P207 F208 M211	R161-L165 HydrophobicContact CG-CD1 3.84Å; R161-L165 HydrophobicContact CG-CG 4.33Å; R161-L165 WeakPolarHBondContact O-CB 3.04Å; R161-L165 VanDerWaalsContact O-CG 3.25Å; R161-L165 WeakPolarHBondContact O-CG 3.2Å; R161-L165 PolarHBondContact O-N 3.25Å; Q162-L165 PolarHBondContact O-N 3.07Å; L165-M167 PolarHBondContact O-N 3.49Å; L165-I168 PolarHBondContact O-N 3.37Å; L165-A169 WeakPolarHBondContact O-CB 3.14Å; L165-A169 PolarHBondContact O-N 3.41Å; L165-F204 HydrophobicContact CD2-CE2 4.24Å; L165-P207 HydrophobicContact CD1-CB 4.18Å; L165-F208 VanDerWaalsContact CD2-CA 3.47Å; L165-F208 HydrophobicContact CD2-CB 3.71Å; L165-F208 HydrophobicContact CD2-CD2 4.22Å; L165-F208 HydrophobicContact CD2-CG 4.49Å; L165-M211 HydrophobicContact CB-CE 4.1Å; L165-M211 HydrophobicContact CB-SD 3.71Å; L165-M211 HydrophobicContact CD1-SD 4.4Å; L165-M211 HydrophobicContact CD2-CE 3.88Å; L165-M211 HydrophobicContact CD2-SD 4.23Å; L165-M211 HydrophobicContact CG-SD 4.32Å
166	D	94.7	Very high	94	Very high	73 Å²	73	53.1 Å²	53.1	39%	0.39	27%	0.274	S	S	.	.	H	α-helix	trans	-66	-36.4	178.1	-75.6	-26.4	0	0	0	112.5	Q162 T163 A169 R170	Q162-D166 WeakPolarHBondContact CG-OD2 3.12Å; Q162-D166 PolarHBondContact NE2-OD1 3.3Å; Q162-D166 PolarHBondContact NE2-OD2 3.46Å; Q162-D166 WeakPolarHBondContact O-CB 3.17Å; Q162-D166 VanDerWaalsContact O-CG 3.3Å; Q162-D166 PolarHBondContact O-N 2.99Å; T163-D166 PolarHBondContact O-N 3.26Å; D166-A169 PolarHBondContact O-N 3.44Å; D166-R170 WeakPolarHBondContact O-CB 3.4Å; D166-R170 WeakPolarHBondContact O-CG 3.33Å; D166-R170 PolarHBondContact O-N 3.07Å; D166-R170 PolarHBondContact O-NE 3.05Å
167	M	94.9	Very high	93.8	Very high	16 Å²	16	54.1 Å²	54.1	8%	0.079	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-45.9	172.3	-72.5	177.3	72.8	0	0	111.1	L101 T163 L164 L165 A169 R170 E171 V177 D178 A181 I182	L101-M167 HydrophobicContact CD1-SD 3.61Å; T163-M167 HydrophobicContact CG2-SD 4.34Å; T163-M167 VanDerWaalsContact O-CG 3.27Å; T163-M167 WeakPolarHBondContact O-CG 3.26Å; T163-M167 PolarHBondContact O-N 2.97Å; L164-M167 PolarHBondContact O-N 3.48Å; L165-M167 PolarHBondContact O-N 3.49Å; M167-A169 PolarHBondContact O-N 3.5Å; M167-R170 PolarHBondContact O-N 3.15Å; M167-E171 PolarHBondContact O-N 3.42Å; M167-V177 HydrophobicContact CE-CB 4.26Å; M167-V177 WeakPolarHBondContact O-CG1 3.39Å; M167-D178 HydrophobicContact CE-CB 4.2Å; M167-D178 WeakPolarHBondContact CE-O 3.47Å; M167-A181 HydrophobicContact CE-CB 4.46Å; M167-I182 HydrophobicContact CB-CD1 3.99Å; M167-I182 HydrophobicContact CB-CG1 4.4Å; M167-I182 HydrophobicContact CE-CD1 4.17Å; M167-I182 HydrophobicContact CE-CG1 3.86Å; M167-I182 HydrophobicContact SD-CG1 4.21Å
168	I	95.4	Very high	93.7	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.2	-39.5	178.3	-64.2	167.3	0	0	0	111.3	L164 L165 R170 E171 R172 I182 F204 F208 L251	L164-I168 WeakPolarHBondContact O-CG1 3.44Å; L164-I168 PolarHBondContact O-N 3.46Å; L164-I168 VanDerWaalsContact O-N 3.12Å; L165-I168 PolarHBondContact O-N 3.37Å; I168-R170 VanDerWaalsContact C-N 3.34Å; I168-R170 PolarHBondContact O-N 3.08Å; I168-E171 PolarHBondContact O-N 3.47Å; I168-R172 PolarHBondContact O-N 3.4Å; I168-I182 HydrophobicContact CG1-CD1 4.13Å; I168-F204 HydrophobicContact CD1-CE2 4.13Å; I168-F204 HydrophobicContact CD1-CZ 3.76Å; I168-F208 HydrophobicContact CD1-CD2 3.89Å; I168-F208 HydrophobicContact CD1-CE2 3.97Å; I168-F208 HydrophobicContact CG2-CE2 3.97Å; I168-L251 HydrophobicContact CD1-CD2 4.47Å
169	A	94	Very high	93.7	Very high	21 Å²	21	56.5 Å²	56.5	17%	0.174	29%	0.291	C	S	.	.	H	α-helix	trans	-63.2	-38.5	177.3	0	0	0	0	0	112.6	L165 D166 M167 K173	L165-A169 WeakPolarHBondContact O-CB 3.14Å; L165-A169 PolarHBondContact O-N 3.41Å; D166-A169 PolarHBondContact O-N 3.44Å; M167-A169 PolarHBondContact O-N 3.5Å; A169-K173 WeakPolarHBondContact O-CG 3.45Å; A169-K173 PolarHBondContact O-N 2.96Å
170	R	93.6	Very high	93.6	Very high	100 Å²	100	54.8 Å²	54.8	38%	0.377	29%	0.289	S	S	.	.	H	α-helix	trans	-69.3	-40.6	174.2	-73.8	-175.7	-58	129.7	-9.4	112	D166 M167 I168 R172 K173 G174 E175 V177	D166-R170 WeakPolarHBondContact O-CB 3.4Å; D166-R170 WeakPolarHBondContact O-CG 3.33Å; D166-R170 PolarHBondContact O-N 3.07Å; D166-R170 PolarHBondContact O-NE 3.05Å; M167-R170 PolarHBondContact O-N 3.15Å; I168-R170 VanDerWaalsContact C-N 3.34Å; I168-R170 PolarHBondContact O-N 3.08Å; R170-R172 VanDerWaalsContact C-N 3.34Å; R170-R172 PolarHBondContact O-N 3.49Å; R170-K173 WeakPolarHBondContact O-CA 3.28Å; R170-K173 WeakPolarHBondContact O-CB 3.46Å; R170-K173 PolarHBondContact O-N 3.42Å; R170-G174 PolarHBondContact O-N 3.02Å; R170-E175 HydrophobicContact CB-CB 4.07Å; R170-E175 HydrophobicContact CB-CG 4.3Å; R170-E175 VanDerWaalsContact CD-OE2 3.28Å; R170-E175 WeakPolarHBondContact CD-OE2 3.44Å; R170-E175 IonicContact NH1-OE2 3.39Å; R170-E175 WeakPolarHBondContact O-CB 3.39Å; R170-E175 PolarHBondContact O-N 3.32Å; R170-E175 VanDerWaalsContact O-N 3.08Å; R170-V177 HydrophobicContact CB-CG1 4.36Å
171	E	94.2	Very high	93.5	Very high	22 Å²	22	55.5 Å²	55.5	10%	0.103	30%	0.295	C	S	.	.	H	α-helix	trans	-59.3	-43.5	174.3	-169.2	-170.1	-155.3	0	0	112.1	M167 I168 K173 G174 V177 R179 R246	M167-E171 PolarHBondContact O-N 3.42Å; I168-E171 PolarHBondContact O-N 3.47Å; E171-K173 PolarHBondContact O-N 3.08Å; E171-K173 VanDerWaalsContact O-N 3.15Å; E171-G174 WeakPolarHBondContact O-CA 3.38Å; E171-G174 PolarHBondContact O-N 3.04Å; E171-V177 HydrophobicContact CB-CG1 4.33Å; E171-V177 HydrophobicContact CB-CG2 3.78Å; E171-V177 HydrophobicContact CG-CG2 3.96Å; E171-R179 IonicContact OE1-CZ 3.33Å; E171-R179 IonicContact OE1-NE 3.38Å; E171-R179 PolarHBondContact OE1-NE 2.99Å; E171-R179 IonicContact OE1-NH2 3.78Å; E171-R179 PolarHBondContact OE1-NH2 3.48Å; E171-R246 VanDerWaalsContact OE2-CD 3.32Å; E171-R246 WeakPolarHBondContact OE2-CD 3.5Å; E171-R246 IonicContact OE2-CZ 3.62Å; E171-R246 IonicContact OE2-NE 2.69Å; E171-R246 PolarHBondContact OE2-NE 3.28Å
172	R	92.8	Very high	93.5	Very high	10 Å²	10	52.6 Å²	52.6	4%	0.038	28%	0.284	C	S	.	.	H	α-helix	trans	-60.6	-23.1	176	-77.2	179.7	174.3	150.4	4.8	113.7	I168 R170 G174 S212 F215 R239 E243	I168-R172 PolarHBondContact O-N 3.4Å; R170-R172 VanDerWaalsContact C-N 3.34Å; R170-R172 PolarHBondContact O-N 3.49Å; R172-G174 VanDerWaalsContact C-N 3.34Å; R172-S212 PolarHBondContact NH1-OG 3.48Å; R172-S212 PolarHBondContact NH2-OG 2.95Å; R172-F215 HydrophobicContact CB-CE1 4.45Å; R172-F215 HydrophobicContact CB-CE2 4.25Å; R172-F215 HydrophobicContact CB-CZ 3.94Å; R172-F215 HydrophobicContact CG-CZ 4.5Å; R172-R239 PolarHBondContact O-NH1 3.23Å; R172-E243 IonicContact CZ-OE1 3Å; R172-E243 IonicContact CZ-OE2 2.85Å; R172-E243 IonicContact NE-OE1 3.45Å; R172-E243 PolarHBondContact NE-OE1 3.49Å; R172-E243 IonicContact NE-OE2 3.99Å; R172-E243 VanDerWaalsContact NH2-CD 3.33Å; R172-E243 IonicContact NH2-OE1 2.87Å; R172-E243 PolarHBondContact NH2-OE1 3.02Å; R172-E243 IonicContact NH2-OE2 3.36Å; R172-E243 PolarHBondContact NH2-OE2 3.04Å
173	K	90.6	Very high	93.6	Very high	157 Å²	157	53.7 Å²	53.7	68%	0.683	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-0.5	174.5	-65.4	173.8	-176.2	174.9	0	113.1	A169 R170 E171	A169-K173 WeakPolarHBondContact O-CG 3.45Å; A169-K173 PolarHBondContact O-N 2.96Å; R170-K173 WeakPolarHBondContact O-CA 3.28Å; R170-K173 WeakPolarHBondContact O-CB 3.46Å; R170-K173 PolarHBondContact O-N 3.42Å; E171-K173 PolarHBondContact O-N 3.08Å; E171-K173 VanDerWaalsContact O-N 3.15Å
174	G	89.8	Confident	93.6	Very high	68 Å²	68	54.2 Å²	54.2	70%	0.701	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.6	10	178.8	0	0	0	0	0	114.6	R170 E171 R172	R170-G174 PolarHBondContact O-N 3.02Å; E171-G174 WeakPolarHBondContact O-CA 3.38Å; E171-G174 PolarHBondContact O-N 3.04Å; R172-G174 VanDerWaalsContact C-N 3.34Å
175	E	93.3	Very high	93.6	Very high	87 Å²	87	54.7 Å²	54.7	41%	0.407	29%	0.29	S	S	.	.			trans	-77.3	145.8	175	-61.3	179.5	-141.4	0	0	111.5	R170	R170-E175 HydrophobicContact CB-CB 4.07Å; R170-E175 HydrophobicContact CB-CG 4.3Å; R170-E175 VanDerWaalsContact CD-OE2 3.28Å; R170-E175 WeakPolarHBondContact CD-OE2 3.44Å; R170-E175 IonicContact NH1-OE2 3.39Å; R170-E175 WeakPolarHBondContact O-CB 3.39Å; R170-E175 PolarHBondContact O-N 3.32Å; R170-E175 VanDerWaalsContact O-N 3.08Å
176	V	90.6	Very high	93.6	Very high	146 Å²	146	54.3 Å²	54.3	89%	0.885	29%	0.288	S	S	*	.			trans	-78	124.9	174.8	-176	0	0	0	0	109.4
177	V	92.4	Very high	93.6	Very high	20 Å²	20	55.6 Å²	55.6	12%	0.121	29%	0.291	C	S	.	.			trans	-125.5	154.7	178.2	-59.3	0	0	0	0	111.4	M167 R170 E171 R179 I182	M167-V177 HydrophobicContact CE-CB 4.26Å; M167-V177 WeakPolarHBondContact O-CG1 3.39Å; R170-V177 HydrophobicContact CB-CG1 4.36Å; E171-V177 HydrophobicContact CB-CG1 4.33Å; E171-V177 HydrophobicContact CB-CG2 3.78Å; E171-V177 HydrophobicContact CG-CG2 3.96Å; V177-R179 HydrophobicContact CG2-CG 4.47Å; V177-R179 PolarHBondContact O-N 3.42Å; V177-I182 HydrophobicContact CG2-CD1 4.38Å
178	D	91.3	Very high	93.7	Very high	104 Å²	104	55 Å²	55	56%	0.556	29%	0.288	S	S	*	.			trans	-74.2	89.4	173.6	-174.4	-5.8	0	0	0	110.6	M167 G180 A181 I182	M167-D178 HydrophobicContact CE-CB 4.2Å; M167-D178 WeakPolarHBondContact CE-O 3.47Å; D178-G180 PolarHBondContact O-N 2.88Å; D178-G180 WeakPolarHBondContact OD1-CA 3.36Å; D178-G180 PolarHBondContact OD1-N 3.43Å; D178-A181 HydrophobicContact CB-CB 4.1Å; D178-A181 PolarHBondContact O-N 3.28Å; D178-A181 PolarHBondContact OD1-N 2.95Å; D178-A181 VanDerWaalsContact OD1-N 3.11Å; D178-I182 PolarHBondContact O-N 2.85Å
179	R	92.4	Very high	93.7	Very high	102 Å²	102	55 Å²	55	39%	0.385	29%	0.289	S	S	.	.	H	α-helix	trans	-57.9	-30	174.2	-69.1	-172.8	175	-179.8	0.6	112.8	E171 V177 I182 R183 C250	E171-R179 IonicContact OE1-CZ 3.33Å; E171-R179 IonicContact OE1-NE 3.38Å; E171-R179 PolarHBondContact OE1-NE 2.99Å; E171-R179 IonicContact OE1-NH2 3.78Å; E171-R179 PolarHBondContact OE1-NH2 3.48Å; V177-R179 HydrophobicContact CG2-CG 4.47Å; V177-R179 PolarHBondContact O-N 3.42Å; R179-I182 PolarHBondContact O-N 3.33Å; R179-R183 WeakPolarHBondContact O-CB 3.46Å; R179-R183 PolarHBondContact O-N 2.84Å; R179-C250 VanDerWaalsContact CB-SG 3.51Å; R179-C250 VanDerWaalsContact CG-SG 3.51Å
180	G	93.8	Very high	93.8	Very high	21 Å²	21	56.1 Å²	56.1	22%	0.216	29%	0.291	C	S	.	.	H	α-helix	trans	-66.7	-41.3	178.3	0	0	0	0	0	111.9	D178 R183 N184	D178-G180 PolarHBondContact O-N 2.88Å; D178-G180 WeakPolarHBondContact OD1-CA 3.36Å; D178-G180 PolarHBondContact OD1-N 3.43Å; G180-R183 PolarHBondContact O-N 3.06Å; G180-N184 WeakPolarHBondContact O-CB 3.39Å; G180-N184 PolarHBondContact O-N 2.8Å; G180-N184 PolarHBondContact O-ND2 2.92Å; G180-N184 PolarHBondContact O-OD1 3.34Å
181	A	93.6	Very high	93.8	Very high	18 Å²	18	54.5 Å²	54.5	15%	0.149	29%	0.289	C	S	.	.	H	α-helix	trans	-62.3	-43.2	175.9	0	0	0	0	0	112.3	L101 M167 D178 N184 A185	L101-A181 HydrophobicContact CB-CB 4.48Å; L101-A181 HydrophobicContact CD1-CB 3.97Å; M167-A181 HydrophobicContact CE-CB 4.46Å; D178-A181 HydrophobicContact CB-CB 4.1Å; D178-A181 PolarHBondContact O-N 3.28Å; D178-A181 PolarHBondContact OD1-N 2.95Å; D178-A181 VanDerWaalsContact OD1-N 3.11Å; A181-N184 PolarHBondContact O-N 2.73Å; A181-A185 WeakPolarHBondContact O-CB 3.46Å; A181-A185 PolarHBondContact O-N 3.22Å
182	I	95.3	Very high	93.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-48.2	175.7	-59	172.1	0	0	0	110.2	L164 M167 I168 V177 D178 R179 N184 A185 C186 C250 L251	L164-I182 HydrophobicContact CD2-CB 4.42Å; L164-I182 HydrophobicContact CD2-CG1 4.27Å; L164-I182 HydrophobicContact CD2-CG2 4.43Å; M167-I182 HydrophobicContact CB-CD1 3.99Å; M167-I182 HydrophobicContact CB-CG1 4.4Å; M167-I182 HydrophobicContact CE-CD1 4.17Å; M167-I182 HydrophobicContact CE-CG1 3.86Å; M167-I182 HydrophobicContact SD-CG1 4.21Å; I168-I182 HydrophobicContact CG1-CD1 4.13Å; V177-I182 HydrophobicContact CG2-CD1 4.38Å; D178-I182 PolarHBondContact O-N 2.85Å; R179-I182 PolarHBondContact O-N 3.33Å; I182-N184 PolarHBondContact O-N 3.49Å; I182-A185 PolarHBondContact O-N 3.35Å; I182-C186 WeakPolarHBondContact O-CB 3.44Å; I182-C186 PolarHBondContact O-N 3Å; I182-C186 PolarHBondContact O-SG 3.18Å; I182-C250 HydrophobicContact CB-CB 4.3Å; I182-C250 HydrophobicContact CG2-CB 3.95Å; I182-L251 HydrophobicContact CG2-CD2 3.99Å
183	R	96.1	Very high	93.7	Very high	119 Å²	119	53.5 Å²	53.5	45%	0.449	29%	0.287	S	S	.	.	H	α-helix	trans	-58.7	-47.5	179.4	-171.6	-177.4	66.2	-164.3	-1.8	112.2	R179 G180 A185 C186 Q187 C250	R179-R183 WeakPolarHBondContact O-CB 3.46Å; R179-R183 PolarHBondContact O-N 2.84Å; G180-R183 PolarHBondContact O-N 3.06Å; R183-A185 VanDerWaalsContact C-N 3.34Å; R183-A185 PolarHBondContact O-N 3.24Å; R183-C186 PolarHBondContact O-N 3.15Å; R183-Q187 HydrophobicContact CG-CG 4.42Å; R183-Q187 WeakPolarHBondContact O-CB 3.47Å; R183-Q187 VanDerWaalsContact O-CG 3.27Å; R183-Q187 WeakPolarHBondContact O-CG 3.49Å; R183-Q187 PolarHBondContact O-N 2.84Å; R183-C250 VanDerWaalsContact CA-O 3.26Å; R183-C250 WeakPolarHBondContact CA-O 3.5Å
184	N	95.8	Very high	93.7	Very high	45 Å²	45	48.4 Å²	48.4	24%	0.241	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-41.4	-178.8	-64.8	-12.9	0	0	0	111.3	N105 G180 A181 I182 Q187 M188	N105-N184 PolarHBondContact ND2-ND2 3.39Å; G180-N184 WeakPolarHBondContact O-CB 3.39Å; G180-N184 PolarHBondContact O-N 2.8Å; G180-N184 PolarHBondContact O-ND2 2.92Å; G180-N184 PolarHBondContact O-OD1 3.34Å; A181-N184 PolarHBondContact O-N 2.73Å; I182-N184 PolarHBondContact O-N 3.49Å; N184-Q187 PolarHBondContact O-N 3.09Å; N184-M188 WeakPolarHBondContact O-CB 3.38Å; N184-M188 PolarHBondContact O-N 2.88Å
185	A	95.8	Very high	93.3	Very high	9 Å²	9	54.5 Å²	54.5	7%	0.074	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-43.7	175.7	0	0	0	0	0	112.2	L160 L164 A181 I182 R183 M188 L189	L160-A185 HydrophobicContact CD1-CB 4.34Å; L164-A185 HydrophobicContact CD1-CB 4Å; L164-A185 HydrophobicContact CD2-CB 3.85Å; A181-A185 WeakPolarHBondContact O-CB 3.46Å; A181-A185 PolarHBondContact O-N 3.22Å; I182-A185 PolarHBondContact O-N 3.35Å; R183-A185 VanDerWaalsContact C-N 3.34Å; R183-A185 PolarHBondContact O-N 3.24Å; A185-M188 WeakPolarHBondContact O-CB 3.23Å; A185-M188 PolarHBondContact O-N 2.94Å; A185-L189 WeakPolarHBondContact O-CG 3.01Å; A185-L189 PolarHBondContact O-N 2.96Å
186	C	95.8	Very high	93	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.02	28%	0.278	C	S	.	.	H	α-helix	trans	-62.7	-43.6	176.2	-67.4	0	0	0	0	111.8	I182 R183 M188 L189 M190 Y200	I182-C186 WeakPolarHBondContact O-CB 3.44Å; I182-C186 PolarHBondContact O-N 3Å; I182-C186 PolarHBondContact O-SG 3.18Å; R183-C186 PolarHBondContact O-N 3.15Å; C186-M188 PolarHBondContact O-N 3.15Å; C186-L189 PolarHBondContact O-N 3.47Å; C186-M190 WeakPolarHBondContact O-CG 3.14Å; C186-M190 PolarHBondContact O-N 3.32Å; C186-Y200 HydrophobicContact CB-CD2 4.32Å; C186-Y200 HydrophobicContact CB-CE2 3.72Å
187	Q	95.1	Very high	93.2	Very high	99 Å²	99	48.1 Å²	48.1	46%	0.463	25%	0.246	S	C	.	.	H	α-helix	trans	-62.1	-41.6	175.9	-75	175.3	-10.3	0	0	112	R183 N184 M190 I191	R183-Q187 HydrophobicContact CG-CG 4.42Å; R183-Q187 WeakPolarHBondContact O-CB 3.47Å; R183-Q187 VanDerWaalsContact O-CG 3.27Å; R183-Q187 WeakPolarHBondContact O-CG 3.49Å; R183-Q187 PolarHBondContact O-N 2.84Å; N184-Q187 PolarHBondContact O-N 3.09Å; Q187-M190 PolarHBondContact O-N 3.14Å; Q187-I191 VanDerWaalsContact O-CG1 3.28Å; Q187-I191 WeakPolarHBondContact O-CG1 3.44Å; Q187-I191 PolarHBondContact O-N 2.9Å
188	M	96.4	Very high	93.1	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-58.3	-50.9	172.8	176.1	-170.1	71.3	0	0	110.8	L104 W108 F146 V151 L160 N184 A185 C186 M190 I191 L192	L104-M188 HydrophobicContact CD2-CE 4.01Å; L104-M188 HydrophobicContact CG-CE 4.35Å; L104-M188 HydrophobicContact CG-SD 4.33Å; W108-M188 HydrophobicContact CB-CG 4.44Å; W108-M188 HydrophobicContact CB-SD 3.92Å; W108-M188 HydrophobicContact CD2-CB 4.45Å; W108-M188 HydrophobicContact CD2-CG 3.65Å; W108-M188 HydrophobicContact CD2-SD 4.18Å; W108-M188 HydrophobicContact CE3-CG 4.23Å; W108-M188 HydrophobicContact CG-CB 4.29Å; W108-M188 HydrophobicContact CG-CG 3.73Å; W108-M188 HydrophobicContact CG-SD 3.85Å; W108-M188 HydrophobicContact CZ2-CG 4.28Å; F146-M188 HydrophobicContact CE1-SD 4.05Å; V151-M188 HydrophobicContact CG1-CE 4.49Å; V151-M188 HydrophobicContact CG2-CE 3.98Å; V151-M188 HydrophobicContact CG2-SD 4.21Å; L160-M188 HydrophobicContact CD2-CE 4.06Å; N184-M188 WeakPolarHBondContact O-CB 3.38Å; N184-M188 PolarHBondContact O-N 2.88Å; A185-M188 WeakPolarHBondContact O-CB 3.23Å; A185-M188 PolarHBondContact O-N 2.94Å; C186-M188 PolarHBondContact O-N 3.15Å; M188-M190 VanDerWaalsContact C-N 3.27Å; M188-M190 PolarHBondContact O-N 3.41Å; M188-I191 PolarHBondContact O-N 3.48Å; M188-I191 VanDerWaalsContact O-N 3.13Å; M188-L192 HydrophobicContact CG-CD1 3.87Å; M188-L192 HydrophobicContact CG-CG 4.29Å; M188-L192 VanDerWaalsContact O-CG 3.27Å; M188-L192 WeakPolarHBondContact O-CG 3.29Å; M188-L192 PolarHBondContact O-N 3.44Å; M188-L192 HydrophobicContact SD-CD1 4.47Å
189	L	95.9	Very high	93.3	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-60.5	-36	179.5	-67.4	174	0	0	0	112.5	V151 L160 A185 C186 G193 V199 Y200 F204	V151-L189 HydrophobicContact CG1-CD2 3.91Å; L160-L189 HydrophobicContact CD2-CD2 4.27Å; A185-L189 WeakPolarHBondContact O-CG 3.01Å; A185-L189 PolarHBondContact O-N 2.96Å; C186-L189 PolarHBondContact O-N 3.47Å; L189-G193 PolarHBondContact O-N 3.44Å; L189-V199 HydrophobicContact CB-CG1 4.4Å; L189-V199 HydrophobicContact CD2-CG1 3.84Å; L189-V199 WeakPolarHBondContact O-CB 3.37Å; L189-Y200 HydrophobicContact CB-CD2 4.13Å; L189-F204 HydrophobicContact CD1-CB 3.75Å
190	M	95.1	Very high	93.5	Very high	44 Å²	44	39.9 Å²	39.9	22%	0.217	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-49	172.8	-73.3	-64.9	-67.3	0	0	111.6	C186 Q187 M188 L192 G193 R197 Y200 D252	C186-M190 WeakPolarHBondContact O-CG 3.14Å; C186-M190 PolarHBondContact O-N 3.32Å; Q187-M190 PolarHBondContact O-N 3.14Å; M188-M190 VanDerWaalsContact C-N 3.27Å; M188-M190 PolarHBondContact O-N 3.41Å; M190-L192 VanDerWaalsContact C-N 3.3Å; M190-L192 PolarHBondContact O-N 3Å; M190-G193 PolarHBondContact O-N 3.09Å; M190-R197 HydrophobicContact CE-CB 3.98Å; M190-R197 HydrophobicContact SD-CB 3.9Å; M190-Y200 HydrophobicContact CG-CD2 4.08Å; M190-Y200 HydrophobicContact CG-CG 3.99Å; M190-Y200 WeakPolarHBondContact SD-CB 3.38Å; M190-Y200 HydrophobicContact SD-CD1 3.68Å; M190-Y200 HydrophobicContact SD-CD2 4.17Å; M190-Y200 HydrophobicContact SD-CE1 4.47Å; M190-Y200 HydrophobicContact SD-CG 3.49Å; M190-D252 HydrophobicContact CE-CB 4.44Å; M190-D252 HydrophobicContact CG-CB 4.3Å; M190-D252 HydrophobicContact SD-CB 4.2Å
191	I	94.9	Very high	93.5	Very high	66 Å²	66	43.4 Å²	43.4	34%	0.338	22%	0.224	S	C	.	.	H	α-helix	trans	-64.3	-35.7	-179.5	-65.1	164	0	0	0	111.6	W108 L143 Q187 M188 G193 L194	W108-I191 HydrophobicContact CH2-CB 4.45Å; W108-I191 HydrophobicContact CH2-CG2 3.87Å; W108-I191 HydrophobicContact CZ2-CB 3.92Å; W108-I191 HydrophobicContact CZ2-CD1 4.24Å; W108-I191 HydrophobicContact CZ2-CG2 3.62Å; L143-I191 HydrophobicContact CD1-CG2 3.78Å; Q187-I191 VanDerWaalsContact O-CG1 3.28Å; Q187-I191 WeakPolarHBondContact O-CG1 3.44Å; Q187-I191 PolarHBondContact O-N 2.9Å; M188-I191 PolarHBondContact O-N 3.48Å; M188-I191 VanDerWaalsContact O-N 3.13Å; I191-G193 PolarHBondContact O-N 2.84Å; I191-L194 PolarHBondContact O-N 3.04Å
192	L	94.7	Very high	93.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.7	-15.2	176.1	-68	175.5	0	0	0	113.4	W108 L143 F146 R147 V151 M188 M190 L194 V199	W108-L192 HydrophobicContact CE3-CD2 4.39Å; W108-L192 HydrophobicContact CH2-CD2 3.6Å; W108-L192 HydrophobicContact CH2-CG 4.13Å; W108-L192 HydrophobicContact CZ3-CD2 3.48Å; W108-L192 VanDerWaalsContact CZ3-CD2 3.48Å; W108-L192 HydrophobicContact CZ3-CG 4.28Å; L143-L192 HydrophobicContact CB-CD2 4.34Å; L143-L192 WeakPolarHBondContact O-CD2 3.43Å; F146-L192 HydrophobicContact CD1-CD1 4.38Å; F146-L192 HydrophobicContact CD1-CD2 4.12Å; R147-L192 HydrophobicContact CB-CB 4.41Å; R147-L192 HydrophobicContact CB-CD1 4.46Å; R147-L192 HydrophobicContact CB-CD2 4.09Å; R147-L192 HydrophobicContact CG-CB 4.43Å; V151-L192 HydrophobicContact CB-CD1 4.21Å; V151-L192 HydrophobicContact CG1-CD1 4.38Å; V151-L192 HydrophobicContact CG2-CD1 3.69Å; M188-L192 HydrophobicContact CG-CD1 3.87Å; M188-L192 HydrophobicContact CG-CG 4.29Å; M188-L192 VanDerWaalsContact O-CG 3.27Å; M188-L192 WeakPolarHBondContact O-CG 3.29Å; M188-L192 PolarHBondContact O-N 3.44Å; M188-L192 HydrophobicContact SD-CD1 4.47Å; M190-L192 VanDerWaalsContact C-N 3.3Å; M190-L192 PolarHBondContact O-N 3Å; L192-L194 PolarHBondContact O-N 3.19Å; L192-V199 HydrophobicContact CB-CB 4.4Å; L192-V199 HydrophobicContact CB-CG1 4.02Å; L192-V199 HydrophobicContact CB-CG2 4.4Å; L192-V199 WeakPolarHBondContact O-CG2 3.08Å
193	G	90.3	Very high	93.5	Very high	10 Å²	10	48.2 Å²	48.2	10%	0.103	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-4.8	169.7	0	0	0	0	0	114.4	L189 M190 I191 E195 G196	L189-G193 PolarHBondContact O-N 3.44Å; M190-G193 PolarHBondContact O-N 3.09Å; I191-G193 PolarHBondContact O-N 2.84Å; G193-E195 PolarHBondContact O-N 3.25Å; G193-E195 VanDerWaalsContact O-N 3.15Å; G193-G196 CarbonylContact C-O 3.53Å; G193-G196 VanDerWaalsContact C-O 3.3Å; G193-G196 WeakPolarHBondContact CA-O 3.29Å; G193-G196 PolarHBondContact O-N 3.05Å
194	L	89.3	Confident	93.5	Very high	51 Å²	51	42.6 Å²	42.6	27%	0.267	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	-108	-177.4	-53.9	175.8	0	0	0	111.9	N140 L143 I144 I191 L192 G196	N140-L194 HydrophobicContact CB-CD2 4.08Å; L143-L194 HydrophobicContact CB-CD2 3.97Å; L143-L194 HydrophobicContact CD1-CD2 3.85Å; L143-L194 HydrophobicContact CG-CD2 4.42Å; I144-L194 HydrophobicContact CD1-CD1 3.87Å; I144-L194 HydrophobicContact CG1-CD1 3.87Å; I191-L194 PolarHBondContact O-N 3.04Å; L192-L194 PolarHBondContact O-N 3.19Å; L194-G196 VanDerWaalsContact C-N 3.31Å
195	E	82.1	Confident	93.6	Very high	196 Å²	196	40.8 Å²	40.8	92%	0.916	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.4	178.6	-60.2	-170.7	166.3	0	0	113.1	G193	G193-E195 PolarHBondContact O-N 3.25Å; G193-E195 VanDerWaalsContact O-N 3.15Å
196	G	87.4	Confident	93.6	Very high	40 Å²	40	42.8 Å²	42.8	41%	0.412	23%	0.229	S	C	.	.	S	Bend	trans	-129.1	-174.8	-178.5	0	0	0	0	0	113.5	G193 L194	G193-G196 CarbonylContact C-O 3.53Å; G193-G196 VanDerWaalsContact C-O 3.3Å; G193-G196 WeakPolarHBondContact CA-O 3.29Å; G193-G196 PolarHBondContact O-N 3.05Å; L194-G196 VanDerWaalsContact C-N 3.31Å
197	R	92.9	Very high	93.6	Very high	59 Å²	59	43.7 Å²	43.7	22%	0.223	24%	0.235	C	C	.	.			trans	-112.2	11.4	-180	69.4	179.5	-61	-167.8	5	114	M190 V199 Y200 E201 E205 T254	M190-R197 HydrophobicContact CE-CB 3.98Å; M190-R197 HydrophobicContact SD-CB 3.9Å; R197-V199 VanDerWaalsContact C-N 3.29Å; R197-V199 PolarHBondContact O-N 3.43Å; R197-Y200 WeakPolarHBondContact O-CB 3.49Å; R197-Y200 PolarHBondContact O-N 3.39Å; R197-Y200 VanDerWaalsContact O-N 3.09Å; R197-E201 WeakPolarHBondContact O-CB 3.43Å; R197-E201 PolarHBondContact O-N 2.89Å; R197-E205 IonicContact CZ-OE1 3.95Å; R197-E205 IonicContact CZ-OE2 3.1Å; R197-E205 IonicContact NE-OE2 3.38Å; R197-E205 IonicContact NH1-OE1 3.23Å; R197-E205 IonicContact NH1-OE2 3.42Å; R197-E205 IonicContact NH2-OE1 2.73Å; R197-E205 PolarHBondContact NH2-OE1 3.44Å; R197-E205 IonicContact NH2-OE2 2.74Å; R197-E205 PolarHBondContact NH2-OE2 2.76Å; R197-T254 PolarHBondContact NH1-OG1 3.46Å; R197-T254 PolarHBondContact NH2-OG1 3.35Å
198	S	91.9	Very high	93.8	Very high	52 Å²	52	39 Å²	39	36%	0.364	21%	0.213	S	C	.	.	H	α-helix	trans	-57	-40	-170.4	53.9	0	0	0	0	113.3	E201 E202	S198-E201 PolarHBondContact O-N 3.44Å; S198-E202 VanDerWaalsContact O-CB 3.24Å; S198-E202 WeakPolarHBondContact O-CB 3.27Å; S198-E202 WeakPolarHBondContact O-CG 3.46Å; S198-E202 PolarHBondContact O-N 3.03Å
199	V	94.5	Very high	93.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-45.5	178.1	178.4	0	0	0	0	111	R147 L189 L192 R197 D203	R147-V199 VanDerWaalsContact CD-CG2 3.49Å; R147-V199 HydrophobicContact CG-CG2 4.23Å; L189-V199 HydrophobicContact CB-CG1 4.4Å; L189-V199 HydrophobicContact CD2-CG1 3.84Å; L189-V199 WeakPolarHBondContact O-CB 3.37Å; L192-V199 HydrophobicContact CB-CB 4.4Å; L192-V199 HydrophobicContact CB-CG1 4.02Å; L192-V199 HydrophobicContact CB-CG2 4.4Å; L192-V199 WeakPolarHBondContact O-CG2 3.08Å; R197-V199 VanDerWaalsContact C-N 3.29Å; R197-V199 PolarHBondContact O-N 3.43Å; V199-D203 WeakPolarHBondContact O-CB 3.48Å; V199-D203 PolarHBondContact O-N 3.31Å
200	Y	96.2	Very high	93.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-44.3	174.5	178	-101.1	0	0	0	112.3	C186 L189 M190 R197 F204 E205 D252 T255	C186-Y200 HydrophobicContact CB-CD2 4.32Å; C186-Y200 HydrophobicContact CB-CE2 3.72Å; L189-Y200 HydrophobicContact CB-CD2 4.13Å; M190-Y200 HydrophobicContact CG-CD2 4.08Å; M190-Y200 HydrophobicContact CG-CG 3.99Å; M190-Y200 WeakPolarHBondContact SD-CB 3.38Å; M190-Y200 HydrophobicContact SD-CD1 3.68Å; M190-Y200 HydrophobicContact SD-CD2 4.17Å; M190-Y200 HydrophobicContact SD-CE1 4.47Å; M190-Y200 HydrophobicContact SD-CG 3.49Å; R197-Y200 WeakPolarHBondContact O-CB 3.49Å; R197-Y200 PolarHBondContact O-N 3.39Å; R197-Y200 VanDerWaalsContact O-N 3.09Å; Y200-F204 HydrophobicContact CD2-CD1 4.15Å; Y200-F204 AromaticContact CE2-CD1 3.44Å; Y200-F204 HydrophobicContact CE2-CD1 3.44Å; Y200-F204 VanDerWaalsContact CE2-CD1 3.44Å; Y200-F204 AromaticContact CE2-CE1 3.98Å; Y200-F204 HydrophobicContact CE2-CE1 3.98Å; Y200-F204 HydrophobicContact CE2-CG 4.39Å; Y200-F204 AromaticContact CZ-CD1 3.7Å; Y200-F204 AromaticContact CZ-CE1 4Å; Y200-F204 PolarHBondContact O-N 3.3Å; Y200-F204 VanDerWaalsContact O-N 3.11Å; Y200-E205 HydrophobicContact CD1-CB 4.1Å; Y200-E205 HydrophobicContact CE1-CB 3.83Å; Y200-E205 HydrophobicContact CE1-CG 4.14Å; Y200-E205 PolarHBondContact O-N 3.29Å; Y200-D252 HydrophobicContact CE1-CB 4.19Å; Y200-T255 WeakPolarHBondContact CE1-OG1 3.21Å; Y200-T255 PolarHBondContact OH-OG1 3.02Å
201	E	95	Very high	94	Very high	96 Å²	96	46.4 Å²	46.4	45%	0.449	25%	0.248	S	C	.	.	I	π-helix	trans	-65.3	-51.9	-177.3	-173.3	173.7	173.3	0	0	112	R197 S198 E205 A206	R197-E201 WeakPolarHBondContact O-CB 3.43Å; R197-E201 PolarHBondContact O-N 2.89Å; S198-E201 PolarHBondContact O-N 3.44Å; E201-E205 PolarHBondContact O-N 3.47Å; E201-A206 WeakPolarHBondContact O-CB 3.35Å; E201-A206 PolarHBondContact O-N 3.48Å
202	E	94.4	Very high	94.1	Very high	107 Å²	107	43.2 Å²	43.2	50%	0.5	23%	0.232	S	C	.	.	I	π-helix	trans	-72.1	-44.2	-177.6	-67.7	169.8	-176.8	0	0	112.5	R152 S198	R152-E202 IonicContact CZ-OE2 2.62Å; R152-E202 IonicContact NH1-OE2 3.83Å; R152-E202 IonicContact NH2-OE2 3.59Å; R152-E202 PolarHBondContact NH2-OE2 2.95Å; S198-E202 VanDerWaalsContact O-CB 3.24Å; S198-E202 WeakPolarHBondContact O-CB 3.27Å; S198-E202 WeakPolarHBondContact O-CG 3.46Å; S198-E202 PolarHBondContact O-N 3.03Å
203	D	93.9	Very high	94.2	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.064	24%	0.237	C	C	.	.	I	π-helix	trans	-86.9	-22.9	-169.4	-62	-36.3	0	0	0	112.3	R152 R157 R161 V199	R152-D203 IonicContact CZ-OD2 2.82Å; R152-D203 IonicContact NE-OD1 3.8Å; R152-D203 IonicContact NE-OD2 2.79Å; R152-D203 PolarHBondContact NE-OD2 3.45Å; R152-D203 IonicContact NH2-OD1 3.7Å; R152-D203 IonicContact NH2-OD2 2.76Å; R152-D203 PolarHBondContact NH2-OD2 3.43Å; R157-D203 WeakPolarHBondContact CD-OD1 3.38Å; R157-D203 HydrophobicContact CG-CB 4.49Å; R161-D203 PolarHBondContact NE-O 3.21Å; V199-D203 WeakPolarHBondContact O-CB 3.48Å; V199-D203 PolarHBondContact O-N 3.31Å
204	F	96.1	Very high	94.5	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	26%	0.256	C	S	.	.	I	π-helix	trans	-132.5	-57.7	-177.4	174.3	-98.1	0	0	0	115.3	L164 L165 I168 L189 Y200 A206 P207 F208 L251	L164-F204 HydrophobicContact CB-CD2 4.02Å; L164-F204 HydrophobicContact CB-CE2 3.7Å; L164-F204 HydrophobicContact CD1-CD2 3.77Å; L164-F204 HydrophobicContact CD1-CE2 4.09Å; L165-F204 HydrophobicContact CD2-CE2 4.24Å; I168-F204 HydrophobicContact CD1-CE2 4.13Å; I168-F204 HydrophobicContact CD1-CZ 3.76Å; L189-F204 HydrophobicContact CD1-CB 3.75Å; Y200-F204 HydrophobicContact CD2-CD1 4.15Å; Y200-F204 AromaticContact CE2-CD1 3.44Å; Y200-F204 HydrophobicContact CE2-CD1 3.44Å; Y200-F204 VanDerWaalsContact CE2-CD1 3.44Å; Y200-F204 AromaticContact CE2-CE1 3.98Å; Y200-F204 HydrophobicContact CE2-CE1 3.98Å; Y200-F204 HydrophobicContact CE2-CG 4.39Å; Y200-F204 AromaticContact CZ-CD1 3.7Å; Y200-F204 AromaticContact CZ-CE1 4Å; Y200-F204 PolarHBondContact O-N 3.3Å; Y200-F204 VanDerWaalsContact O-N 3.11Å; F204-A206 PolarHBondContact O-N 3.03Å; F204-P207 WeakPolarHBondContact O-CD 3.46Å; F204-F208 HydrophobicContact CE1-CB 4.15Å; F204-F208 HydrophobicContact CE1-CG 4.28Å; F204-F208 HydrophobicContact CE2-CB 4.29Å; F204-F208 HydrophobicContact CZ-CB 4.01Å; F204-F208 HydrophobicContact CZ-CD2 4.35Å; F204-F208 HydrophobicContact CZ-CG 4.09Å; F204-F208 VanDerWaalsContact O-CB 3.25Å; F204-F208 WeakPolarHBondContact O-CB 3.24Å; F204-F208 PolarHBondContact O-N 3.38Å; F204-L251 HydrophobicContact CE1-CD2 3.74Å; F204-L251 HydrophobicContact CZ-CD2 3.76Å
205	E	97	Very high	94.9	Very high	7 Å²	7	47.9 Å²	47.9	3%	0.033	25%	0.251	C	S	.	.	I	π-helix	trans	-63.9	-47.5	-166.8	-170.8	-174.8	-154.1	0	0	112.8	R197 Y200 E201 F208 L209 T255	R197-E205 IonicContact CZ-OE1 3.95Å; R197-E205 IonicContact CZ-OE2 3.1Å; R197-E205 IonicContact NE-OE2 3.38Å; R197-E205 IonicContact NH1-OE1 3.23Å; R197-E205 IonicContact NH1-OE2 3.42Å; R197-E205 IonicContact NH2-OE1 2.73Å; R197-E205 PolarHBondContact NH2-OE1 3.44Å; R197-E205 IonicContact NH2-OE2 2.74Å; R197-E205 PolarHBondContact NH2-OE2 2.76Å; Y200-E205 HydrophobicContact CD1-CB 4.1Å; Y200-E205 HydrophobicContact CE1-CB 3.83Å; Y200-E205 HydrophobicContact CE1-CG 4.14Å; Y200-E205 PolarHBondContact O-N 3.29Å; E201-E205 PolarHBondContact O-N 3.47Å; E205-F208 WeakPolarHBondContact O-CB 3.44Å; E205-F208 PolarHBondContact O-N 2.92Å; E205-F208 VanDerWaalsContact O-N 3.14Å; E205-L209 HydrophobicContact CG-CD1 4.02Å; E205-L209 HydrophobicContact CG-CG 4.26Å; E205-L209 VanDerWaalsContact O-CG 3.28Å; E205-L209 WeakPolarHBondContact O-CG 3.24Å; E205-L209 PolarHBondContact O-N 2.98Å; E205-T255 HydrophobicContact CG-CG2 4.02Å; E205-T255 WeakPolarHBondContact OE1-CA 3.49Å; E205-T255 PolarHBondContact OE1-OG1 2.62Å
206	A	96.9	Very high	95.6	Very high	50 Å²	50	38.5 Å²	38.5	41%	0.413	21%	0.208	S	C	.	.	H	α-helix	trans	-60.5	-49.8	179.7	0	0	0	0	0	112	E201 F204 F208 L209 E210	E201-A206 WeakPolarHBondContact O-CB 3.35Å; E201-A206 PolarHBondContact O-N 3.48Å; F204-A206 PolarHBondContact O-N 3.03Å; A206-F208 VanDerWaalsContact C-N 3.3Å; A206-F208 PolarHBondContact O-N 3.13Å; A206-L209 PolarHBondContact O-N 3.32Å; A206-E210 PolarHBondContact O-N 3.2Å
207	P	96.6	Very high	96.1	Very high	22 Å²	22	40.8 Å²	40.8	14%	0.143	21%	0.207	C	C	.	.	H	α-helix	trans	-58.1	-37.6	170.4	-25.6	32.2	0	0	0	114.3	R161 L165 F204 E210 M211	R161-P207 HydrophobicContact CG-CB 4.17Å; R161-P207 HydrophobicContact CG-CG 4.41Å; L165-P207 HydrophobicContact CD1-CB 4.18Å; F204-P207 WeakPolarHBondContact O-CD 3.46Å; P207-E210 PolarHBondContact O-N 3.05Å; P207-M211 WeakPolarHBondContact O-CB 3.41Å; P207-M211 PolarHBondContact O-N 3.3Å
208	F	97.4	Very high	96.2	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-44.1	176.6	162.8	-107.6	0	0	0	112	L165 I168 F204 E205 A206 S212 L251 T255 I259	L165-F208 VanDerWaalsContact CD2-CA 3.47Å; L165-F208 HydrophobicContact CD2-CB 3.71Å; L165-F208 HydrophobicContact CD2-CD2 4.22Å; L165-F208 HydrophobicContact CD2-CG 4.49Å; I168-F208 HydrophobicContact CD1-CD2 3.89Å; I168-F208 HydrophobicContact CD1-CE2 3.97Å; I168-F208 HydrophobicContact CG2-CE2 3.97Å; F204-F208 HydrophobicContact CE1-CB 4.15Å; F204-F208 HydrophobicContact CE1-CG 4.28Å; F204-F208 HydrophobicContact CE2-CB 4.29Å; F204-F208 HydrophobicContact CZ-CB 4.01Å; F204-F208 HydrophobicContact CZ-CD2 4.35Å; F204-F208 HydrophobicContact CZ-CG 4.09Å; F204-F208 VanDerWaalsContact O-CB 3.25Å; F204-F208 WeakPolarHBondContact O-CB 3.24Å; F204-F208 PolarHBondContact O-N 3.38Å; E205-F208 WeakPolarHBondContact O-CB 3.44Å; E205-F208 PolarHBondContact O-N 2.92Å; E205-F208 VanDerWaalsContact O-N 3.14Å; A206-F208 VanDerWaalsContact C-N 3.3Å; A206-F208 PolarHBondContact O-N 3.13Å; F208-S212 WeakPolarHBondContact CE2-OG 3.47Å; F208-S212 WeakPolarHBondContact O-CB 3.47Å; F208-S212 PolarHBondContact O-N 3.46Å; F208-S212 PolarHBondContact O-OG 3.02Å; F208-L251 HydrophobicContact CD1-CD1 4.45Å; F208-L251 HydrophobicContact CE1-CD1 3.84Å; F208-L251 HydrophobicContact CZ-CD1 3.91Å; F208-T255 HydrophobicContact CD1-CG2 4.21Å; F208-T255 HydrophobicContact CE1-CG2 3.94Å; F208-I259 HydrophobicContact CE1-CB 4.19Å; F208-I259 HydrophobicContact CE1-CD1 3.81Å; F208-I259 HydrophobicContact CE1-CG1 4.01Å; F208-I259 HydrophobicContact CZ-CD1 3.73Å; F208-I259 HydrophobicContact CZ-CG1 3.95Å
209	L	98.2	Very high	96.3	Very high	34 Å²	34	42.3 Å²	42.3	18%	0.178	21%	0.213	C	C	.	.	H	α-helix	trans	-66.8	-37.9	177.3	-66.8	174.4	0	0	0	111.6	E205 A206 S212 A213 P258 I259 V262	E205-L209 HydrophobicContact CG-CD1 4.02Å; E205-L209 HydrophobicContact CG-CG 4.26Å; E205-L209 VanDerWaalsContact O-CG 3.28Å; E205-L209 WeakPolarHBondContact O-CG 3.24Å; E205-L209 PolarHBondContact O-N 2.98Å; A206-L209 PolarHBondContact O-N 3.32Å; L209-S212 PolarHBondContact O-N 3.34Å; L209-A213 WeakPolarHBondContact O-CB 3.44Å; L209-A213 PolarHBondContact O-N 2.94Å; L209-P258 HydrophobicContact CD1-CB 3.68Å; L209-P258 HydrophobicContact CD2-CB 3.95Å; L209-P258 HydrophobicContact CG-CB 4.48Å; L209-I259 HydrophobicContact CD2-CB 3.98Å; L209-I259 HydrophobicContact CD2-CD1 4.02Å; L209-V262 HydrophobicContact CB-CG2 4.39Å; L209-V262 HydrophobicContact CD2-CG2 4.13Å
210	E	97.1	Very high	96.4	Very high	130 Å²	130	42.4 Å²	42.4	61%	0.607	21%	0.213	S	C	*	.	H	α-helix	trans	-63.9	-53.8	175.7	-174.3	171.2	-155.8	0	0	111.6	A206 P207 S212 A213 E214	A206-E210 PolarHBondContact O-N 3.2Å; P207-E210 PolarHBondContact O-N 3.05Å; E210-S212 PolarHBondContact O-N 3.32Å; E210-A213 WeakPolarHBondContact O-CB 3.43Å; E210-A213 PolarHBondContact O-N 3.18Å; E210-E214 PolarHBondContact O-N 3.14Å; E210-E214 VanDerWaalsContact O-N 3.09Å
211	M	96.3	Very high	96.3	Very high	40 Å²	40	48 Å²	48	20%	0.197	24%	0.24	C	C	.	.	H	α-helix	trans	-59.5	-36.9	175.7	-176	-163.2	68.2	0	0	111.7	L165 P207 E214 F215	L165-M211 HydrophobicContact CB-CE 4.1Å; L165-M211 HydrophobicContact CB-SD 3.71Å; L165-M211 HydrophobicContact CD1-SD 4.4Å; L165-M211 HydrophobicContact CD2-CE 3.88Å; L165-M211 HydrophobicContact CD2-SD 4.23Å; L165-M211 HydrophobicContact CG-SD 4.32Å; P207-M211 WeakPolarHBondContact O-CB 3.41Å; P207-M211 PolarHBondContact O-N 3.3Å; M211-E214 PolarHBondContact O-N 3.49Å; M211-F215 WeakPolarHBondContact O-CB 3.39Å; M211-F215 PolarHBondContact O-N 3.45Å
212	S	97.4	Very high	96.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.2	-38.2	176.2	-61.8	0	0	0	0	112.2	R172 F208 L209 E210 F215 F216	R172-S212 PolarHBondContact NH1-OG 3.48Å; R172-S212 PolarHBondContact NH2-OG 2.95Å; F208-S212 WeakPolarHBondContact CE2-OG 3.47Å; F208-S212 WeakPolarHBondContact O-CB 3.47Å; F208-S212 PolarHBondContact O-N 3.46Å; F208-S212 PolarHBondContact O-OG 3.02Å; L209-S212 PolarHBondContact O-N 3.34Å; E210-S212 PolarHBondContact O-N 3.32Å; S212-F215 PolarHBondContact O-N 2.88Å; S212-F216 WeakPolarHBondContact O-CD2 3.35Å; S212-F216 PolarHBondContact O-N 3.27Å
213	A	97.9	Very high	96.3	Very high	12 Å²	12	44.9 Å²	44.9	10%	0.099	22%	0.223	C	C	.	.	H	α-helix	trans	-62.8	-44.9	175	0	0	0	0	0	111.5	L209 E210 F216 Q217 V262 E266	L209-A213 WeakPolarHBondContact O-CB 3.44Å; L209-A213 PolarHBondContact O-N 2.94Å; E210-A213 WeakPolarHBondContact O-CB 3.43Å; E210-A213 PolarHBondContact O-N 3.18Å; A213-F216 PolarHBondContact O-N 3.19Å; A213-Q217 VanDerWaalsContact O-CB 3.26Å; A213-Q217 WeakPolarHBondContact O-CB 3.4Å; A213-Q217 PolarHBondContact O-N 2.92Å; A213-V262 HydrophobicContact CB-CG1 3.75Å; A213-E266 HydrophobicContact CB-CG 4.29Å
214	E	96.7	Very high	96.3	Very high	106 Å²	106	46 Å²	46	50%	0.495	23%	0.229	S	C	.	.	H	α-helix	trans	-62.3	-43.7	176.1	-66.5	-177.5	169.5	0	0	112	E210 M211 Q217 M218	E210-E214 PolarHBondContact O-N 3.14Å; E210-E214 VanDerWaalsContact O-N 3.09Å; M211-E214 PolarHBondContact O-N 3.49Å; E214-Q217 PolarHBondContact O-N 2.8Å; E214-M218 WeakPolarHBondContact O-CE 3.44Å; E214-M218 PolarHBondContact O-N 2.94Å; E214-M218 VanDerWaalsContact O-N 3.09Å
215	F	96.2	Very high	96.2	Very high	40 Å²	40	50.1 Å²	50.1	18%	0.175	26%	0.263	C	S	.	.	H	α-helix	trans	-58	-52.6	176	176.1	-91.3	0	0	0	111.6	R172 M211 S212 Q217 M218 E219	R172-F215 HydrophobicContact CB-CE1 4.45Å; R172-F215 HydrophobicContact CB-CE2 4.25Å; R172-F215 HydrophobicContact CB-CZ 3.94Å; R172-F215 HydrophobicContact CG-CZ 4.5Å; M211-F215 WeakPolarHBondContact O-CB 3.39Å; M211-F215 PolarHBondContact O-N 3.45Å; S212-F215 PolarHBondContact O-N 2.88Å; F215-Q217 VanDerWaalsContact C-N 3.31Å; F215-Q217 PolarHBondContact O-N 3.01Å; F215-M218 PolarHBondContact O-N 2.9Å; F215-E219 WeakPolarHBondContact O-CB 3.47Å; F215-E219 PolarHBondContact O-N 3.41Å
216	F	97.8	Very high	96	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-70.2	-28	-179	-70.2	-54.7	0	0	0	112.7	S212 A213 E219 S220 R239 E243 V262 V263 E266 L267	S212-F216 WeakPolarHBondContact O-CD2 3.35Å; S212-F216 PolarHBondContact O-N 3.27Å; A213-F216 PolarHBondContact O-N 3.19Å; F216-E219 PolarHBondContact O-N 2.75Å; F216-S220 VanDerWaalsContact O-CB 3.28Å; F216-S220 WeakPolarHBondContact O-CB 3.37Å; F216-S220 PolarHBondContact O-N 3.32Å; F216-S220 PolarHBondContact O-OG 3.45Å; F216-R239 HydrophobicContact CE1-CB 4.31Å; F216-R239 HydrophobicContact CE1-CG 4.31Å; F216-E243 HydrophobicContact CE2-CG 4.24Å; F216-E243 HydrophobicContact CZ-CG 3.77Å; F216-E243 WeakPolarHBondContact CZ-OE1 3.44Å; F216-V262 HydrophobicContact CD2-CG1 4.41Å; F216-V263 HydrophobicContact CD2-CG2 3.95Å; F216-V263 HydrophobicContact CE2-CG2 3.46Å; F216-V263 VanDerWaalsContact CE2-CG2 3.46Å; F216-V263 HydrophobicContact CZ-CG2 3.79Å; F216-E266 HydrophobicContact CB-CB 3.73Å; F216-E266 HydrophobicContact CB-CG 4.27Å; F216-L267 HydrophobicContact CB-CD2 4.07Å; F216-L267 HydrophobicContact CB-CG 4.25Å; F216-L267 HydrophobicContact CD1-CD1 3.95Å; F216-L267 HydrophobicContact CD1-CD2 4.29Å; F216-L267 HydrophobicContact CD1-CG 4.25Å; F216-L267 HydrophobicContact CE1-CD1 4.44Å; F216-L267 HydrophobicContact CG-CG 4.46Å; F216-L267 WeakPolarHBondContact O-CD2 3.28Å
217	Q	97	Very high	95.9	Very high	87 Å²	87	54.7 Å²	54.7	41%	0.407	28%	0.277	S	S	.	.	H	α-helix	trans	-61.8	-49.8	171.6	-175.2	-179.8	17.9	0	0	111	A213 E214 F215 S220 Q221	A213-Q217 VanDerWaalsContact O-CB 3.26Å; A213-Q217 WeakPolarHBondContact O-CB 3.4Å; A213-Q217 PolarHBondContact O-N 2.92Å; E214-Q217 PolarHBondContact O-N 2.8Å; F215-Q217 VanDerWaalsContact C-N 3.31Å; F215-Q217 PolarHBondContact O-N 3.01Å; Q217-S220 PolarHBondContact O-N 3.27Å; Q217-S220 PolarHBondContact O-OG 3.47Å; Q217-Q221 PolarHBondContact O-N 2.92Å
218	M	95.4	Very high	95.7	Very high	122 Å²	122	56 Å²	56	60%	0.601	29%	0.286	S	S	*	.	H	α-helix	trans	-63.9	-42.4	176.5	-70.4	-176.5	-78.5	0	0	111.9	E214 F215 S220 Q221 K222	E214-M218 WeakPolarHBondContact O-CE 3.44Å; E214-M218 PolarHBondContact O-N 2.94Å; E214-M218 VanDerWaalsContact O-N 3.09Å; F215-M218 PolarHBondContact O-N 2.9Å; M218-S220 PolarHBondContact O-N 3.13Å; M218-Q221 PolarHBondContact O-N 3.34Å; M218-K222 PolarHBondContact O-N 2.85Å
219	E	95.1	Very high	95.5	Very high	22 Å²	22	55.9 Å²	55.9	10%	0.103	29%	0.286	C	S	.	.	H	α-helix	trans	-64.8	-38.8	179.5	-173.9	166.6	-114	0	0	112.2	F215 F216 Q221 K222 F223 R239	F215-E219 WeakPolarHBondContact O-CB 3.47Å; F215-E219 PolarHBondContact O-N 3.41Å; F216-E219 PolarHBondContact O-N 2.75Å; E219-Q221 VanDerWaalsContact C-N 3.32Å; E219-Q221 PolarHBondContact O-N 3.03Å; E219-K222 PolarHBondContact O-N 3.34Å; E219-F223 HydrophobicContact CG-CD1 3.91Å; E219-F223 HydrophobicContact CG-CD2 4.11Å; E219-F223 HydrophobicContact CG-CE1 3.54Å; E219-F223 HydrophobicContact CG-CE2 3.74Å; E219-F223 HydrophobicContact CG-CG 4.19Å; E219-F223 HydrophobicContact CG-CZ 3.44Å; E219-F223 VanDerWaalsContact CG-CZ 3.44Å; E219-F223 WeakPolarHBondContact O-CB 3.47Å; E219-F223 WeakPolarHBondContact O-CG 3.47Å; E219-F223 PolarHBondContact O-N 3.15Å; E219-F223 WeakPolarHBondContact OE1-CZ 3.3Å; E219-R239 IonicContact OE1-CZ 2.81Å; E219-R239 IonicContact OE1-NE 3.77Å; E219-R239 PolarHBondContact OE1-NE 2.88Å; E219-R239 IonicContact OE1-NH2 3.73Å; E219-R239 PolarHBondContact OE1-NH2 3.41Å; E219-R239 IonicContact OE2-CZ 2.94Å; E219-R239 IonicContact OE2-NE 3.63Å; E219-R239 PolarHBondContact OE2-NE 2.72Å; E219-R239 IonicContact OE2-NH2 3.98Å
220	S	95.2	Very high	95.2	Very high	1 Å²	1	55 Å²	55	1%	0.007	28%	0.282	C	S	.	.	H	α-helix	trans	-57.4	-44.6	177.2	72.4	0	0	0	0	112	F216 Q217 M218 F223 L224 H271	F216-S220 VanDerWaalsContact O-CB 3.28Å; F216-S220 WeakPolarHBondContact O-CB 3.37Å; F216-S220 PolarHBondContact O-N 3.32Å; F216-S220 PolarHBondContact O-OG 3.45Å; Q217-S220 PolarHBondContact O-N 3.27Å; Q217-S220 PolarHBondContact O-OG 3.47Å; M218-S220 PolarHBondContact O-N 3.13Å; S220-F223 PolarHBondContact O-N 3.28Å; S220-L224 WeakPolarHBondContact O-CB 3.22Å; S220-L224 VanDerWaalsContact O-CG 3.26Å; S220-L224 WeakPolarHBondContact O-CG 3.28Å; S220-L224 PolarHBondContact O-N 3.32Å; S220-H271 VanDerWaalsContact CB-NE2 3.3Å; S220-H271 WeakPolarHBondContact CB-NE2 3.45Å; S220-H271 PolarHBondContact OG-NE2 3.49Å
221	Q	94.8	Very high	95.1	Very high	119 Å²	119	51.7 Å²	51.7	56%	0.556	27%	0.271	S	S	*	.	H	α-helix	trans	-64.9	-44.5	179.9	-65.9	176.9	4.7	0	0	111.1	Q217 M218 E219 L224 A225	Q217-Q221 PolarHBondContact O-N 2.92Å; M218-Q221 PolarHBondContact O-N 3.34Å; E219-Q221 VanDerWaalsContact C-N 3.32Å; E219-Q221 PolarHBondContact O-N 3.03Å; Q221-L224 PolarHBondContact O-N 3.32Å; Q221-A225 WeakPolarHBondContact O-CB 3.26Å; Q221-A225 PolarHBondContact O-N 3.28Å; Q221-A225 VanDerWaalsContact O-N 3.07Å
222	K	95.1	Very high	95	Very high	118 Å²	118	49.8 Å²	49.8	51%	0.513	26%	0.261	S	S	.	.	H	α-helix	trans	-61.1	-46.5	175.6	-174.7	179.8	179.9	-179.4	0	111.3	M218 E219 L224 A225 E226	M218-K222 PolarHBondContact O-N 2.85Å; E219-K222 PolarHBondContact O-N 3.34Å; K222-L224 PolarHBondContact O-N 2.94Å; K222-A225 PolarHBondContact O-N 3.34Å; K222-E226 VanDerWaalsContact CE-CD 3.48Å; K222-E226 WeakPolarHBondContact CE-OE1 3.43Å; K222-E226 VanDerWaalsContact CE-OE2 3.23Å; K222-E226 WeakPolarHBondContact CE-OE2 3.46Å; K222-E226 HydrophobicContact CG-CG 4.42Å; K222-E226 WeakPolarHBondContact CG-OE1 3.47Å; K222-E226 WeakPolarHBondContact O-CB 3.36Å; K222-E226 WeakPolarHBondContact O-CG 3.48Å; K222-E226 PolarHBondContact O-N 2.95Å
223	F	94.9	Very high	94.8	Very high	18 Å²	18	49.9 Å²	49.9	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-63.2	-42.3	-179.4	-77.3	6.2	0	0	0	112	E219 S220 A225 N227 Y232 K235	E219-F223 HydrophobicContact CG-CD1 3.91Å; E219-F223 HydrophobicContact CG-CD2 4.11Å; E219-F223 HydrophobicContact CG-CE1 3.54Å; E219-F223 HydrophobicContact CG-CE2 3.74Å; E219-F223 HydrophobicContact CG-CG 4.19Å; E219-F223 HydrophobicContact CG-CZ 3.44Å; E219-F223 VanDerWaalsContact CG-CZ 3.44Å; E219-F223 WeakPolarHBondContact O-CB 3.47Å; E219-F223 WeakPolarHBondContact O-CG 3.47Å; E219-F223 PolarHBondContact O-N 3.15Å; E219-F223 WeakPolarHBondContact OE1-CZ 3.3Å; S220-F223 PolarHBondContact O-N 3.28Å; F223-A225 VanDerWaalsContact C-N 3.32Å; F223-A225 PolarHBondContact O-N 2.77Å; F223-N227 WeakPolarHBondContact CA-ND2 3.42Å; F223-N227 VanDerWaalsContact O-CB 3.28Å; F223-N227 WeakPolarHBondContact O-CB 3.4Å; F223-N227 PolarHBondContact O-N 2.66Å; F223-N227 VanDerWaalsContact O-N 3.11Å; F223-N227 PolarHBondContact O-ND2 2.93Å; F223-Y232 HydrophobicContact CB-CD2 3.49Å; F223-Y232 VanDerWaalsContact CB-CD2 3.49Å; F223-Y232 HydrophobicContact CB-CE2 3.46Å; F223-Y232 VanDerWaalsContact CB-CE2 3.46Å; F223-Y232 HydrophobicContact CD2-CE2 4.46Å; F223-K235 HydrophobicContact CD1-CD 4.24Å; F223-K235 HydrophobicContact CD2-CB 3.95Å; F223-K235 HydrophobicContact CD2-CD 4.18Å; F223-K235 HydrophobicContact CE1-CD 4.04Å; F223-K235 HydrophobicContact CE2-CB 3.58Å; F223-K235 HydrophobicContact CE2-CD 4Å; F223-K235 HydrophobicContact CE2-CG 4.36Å; F223-K235 HydrophobicContact CG-CD 4.3Å; F223-K235 HydrophobicContact CZ-CB 4.17Å; F223-K235 HydrophobicContact CZ-CD 3.93Å
224	L	93.8	Very high	94.6	Very high	35 Å²	35	55 Å²	55	18%	0.183	28%	0.282	C	S	.	.	H	α-helix	trans	-64.4	-35	176.6	-71.6	171.4	0	0	0	112.7	S220 Q221 K222 Y232 H271 T274 I275 M278	S220-L224 WeakPolarHBondContact O-CB 3.22Å; S220-L224 VanDerWaalsContact O-CG 3.26Å; S220-L224 WeakPolarHBondContact O-CG 3.28Å; S220-L224 PolarHBondContact O-N 3.32Å; Q221-L224 PolarHBondContact O-N 3.32Å; K222-L224 PolarHBondContact O-N 2.94Å; L224-Y232 HydrophobicContact CD2-CD2 3.85Å; L224-Y232 HydrophobicContact CD2-CE2 3.64Å; L224-Y232 HydrophobicContact CG-CD2 4.15Å; L224-Y232 HydrophobicContact CG-CE2 3.63Å; L224-H271 HydrophobicContact CD1-CB 4.17Å; L224-T274 HydrophobicContact CD1-CG2 4.41Å; L224-T274 HydrophobicContact CD2-CG2 4.31Å; L224-I275 HydrophobicContact CD2-CG1 3.99Å; L224-M278 HydrophobicContact CD2-CE 3.63Å
225	A	93.3	Very high	94.5	Very high	88 Å²	88	53.3 Å²	53.3	73%	0.727	27%	0.273	S	S	*	.	H	α-helix	trans	-75.2	-35.2	-179.7	0	0	0	0	0	113.1	Q221 K222 F223	Q221-A225 WeakPolarHBondContact O-CB 3.26Å; Q221-A225 PolarHBondContact O-N 3.28Å; Q221-A225 VanDerWaalsContact O-N 3.07Å; K222-A225 PolarHBondContact O-N 3.34Å; F223-A225 VanDerWaalsContact C-N 3.32Å; F223-A225 PolarHBondContact O-N 2.77Å
226	E	93.9	Very high	94.5	Very high	123 Å²	123	51.4 Å²	51.4	58%	0.575	27%	0.265	S	S	*	.	H	α-helix	trans	-100.7	-13.1	-169.5	-66.3	174.7	178.2	0	0	114.3	K222	K222-E226 VanDerWaalsContact CE-CD 3.48Å; K222-E226 WeakPolarHBondContact CE-OE1 3.43Å; K222-E226 VanDerWaalsContact CE-OE2 3.23Å; K222-E226 WeakPolarHBondContact CE-OE2 3.46Å; K222-E226 HydrophobicContact CG-CG 4.42Å; K222-E226 WeakPolarHBondContact CG-OE1 3.47Å; K222-E226 WeakPolarHBondContact O-CB 3.36Å; K222-E226 WeakPolarHBondContact O-CG 3.48Å; K222-E226 PolarHBondContact O-N 2.95Å
227	N	93.2	Very high	94.3	Very high	30 Å²	30	53.8 Å²	53.8	16%	0.16	28%	0.276	C	S	.	.	S	Bend	trans	-131.1	152.4	-166.6	-53.2	-94.1	0	0	0	112.7	F223 V231 K235	F223-N227 WeakPolarHBondContact CA-ND2 3.42Å; F223-N227 VanDerWaalsContact O-CB 3.28Å; F223-N227 WeakPolarHBondContact O-CB 3.4Å; F223-N227 PolarHBondContact O-N 2.66Å; F223-N227 VanDerWaalsContact O-N 3.11Å; F223-N227 PolarHBondContact O-ND2 2.93Å; N227-V231 HydrophobicContact CB-CB 4.08Å; N227-V231 HydrophobicContact CB-CG1 3.91Å; N227-V231 WeakPolarHBondContact OD1-CG1 3.36Å; N227-K235 PolarHBondContact OD1-NZ 2.84Å
228	S	93.8	Very high	94.2	Very high	49 Å²	49	51.5 Å²	51.5	34%	0.343	27%	0.272	S	S	.	.			trans	-72.7	161.2	167.5	66.5	0	0	0	0	111.4	S230 V231 Y232	S228-S230 VanDerWaalsContact C-N 3.3Å; S228-S230 PolarHBondContact O-N 3.47Å; S228-V231 PolarHBondContact O-N 2.96Å; S228-V231 VanDerWaalsContact O-N 3.08Å; S228-V231 WeakPolarHBondContact OG-CG2 3.46Å; S228-Y232 WeakPolarHBondContact O-CB 3.26Å; S228-Y232 PolarHBondContact O-N 3.44Å
229	A	93.4	Very high	94.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-54.8	-42.4	-179.7	0	0	0	0	0	113	V231 Y232 I233 I275 M278 S281 M286 M298	A229-V231 PolarHBondContact O-N 3.11Å; A229-Y232 WeakPolarHBondContact O-CB 3.44Å; A229-Y232 PolarHBondContact O-N 3.11Å; A229-I233 WeakPolarHBondContact O-CB 3.45Å; A229-I233 WeakPolarHBondContact O-CD1 3.43Å; A229-I233 WeakPolarHBondContact O-CG1 3.28Å; A229-I233 PolarHBondContact O-N 3.23Å; A229-I275 HydrophobicContact CB-CG2 4.37Å; A229-M278 HydrophobicContact CB-CB 4.4Å; A229-M278 HydrophobicContact CB-SD 3.96Å; A229-M278 PolarHBondContact N-SD 3.25Å; A229-S281 WeakPolarHBondContact CB-O 3.23Å; A229-S281 PolarHBondContact N-OG 2.98Å; A229-S281 VanDerWaalsContact N-OG 3.14Å; A229-M286 HydrophobicContact CB-CE 3.96Å; A229-M298 HydrophobicContact CB-CE 4.39Å
230	S	91.5	Very high	94.3	Very high	14 Å²	14	46.4 Å²	46.4	10%	0.098	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-40.9	178.4	-46.7	0	0	0	0	112.5	S228 K234 M286 D294	S228-S230 VanDerWaalsContact C-N 3.3Å; S228-S230 PolarHBondContact O-N 3.47Å; S230-K234 WeakPolarHBondContact O-CG 3.41Å; S230-K234 PolarHBondContact O-N 2.88Å; S230-M286 WeakPolarHBondContact OG-CE 3.36Å; S230-D294 PolarHBondContact OG-OD2 2.92Å
231	V	93.9	Very high	94.3	Very high	61 Å²	61	50 Å²	50	37%	0.37	26%	0.264	S	S	.	.	H	α-helix	trans	-71.7	-41	178.6	175.2	0	0	0	0	110.4	N227 S228 A229 I233 K234 K235	N227-V231 HydrophobicContact CB-CB 4.08Å; N227-V231 HydrophobicContact CB-CG1 3.91Å; N227-V231 WeakPolarHBondContact OD1-CG1 3.36Å; S228-V231 PolarHBondContact O-N 2.96Å; S228-V231 VanDerWaalsContact O-N 3.08Å; S228-V231 WeakPolarHBondContact OG-CG2 3.46Å; A229-V231 PolarHBondContact O-N 3.11Å; V231-I233 PolarHBondContact O-N 3.28Å; V231-K234 PolarHBondContact O-N 3.48Å; V231-K235 HydrophobicContact CG1-CD 4.31Å; V231-K235 WeakPolarHBondContact O-CG 3.32Å; V231-K235 PolarHBondContact O-N 2.88Å
232	Y	95	Very high	94.3	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-54.4	-52.7	173.7	-176.2	-82.6	0	0	0	110.9	F223 L224 S228 A229 K234 K235 V236 L267 I275	F223-Y232 HydrophobicContact CB-CD2 3.49Å; F223-Y232 VanDerWaalsContact CB-CD2 3.49Å; F223-Y232 HydrophobicContact CB-CE2 3.46Å; F223-Y232 VanDerWaalsContact CB-CE2 3.46Å; F223-Y232 HydrophobicContact CD2-CE2 4.46Å; L224-Y232 HydrophobicContact CD2-CD2 3.85Å; L224-Y232 HydrophobicContact CD2-CE2 3.64Å; L224-Y232 HydrophobicContact CG-CD2 4.15Å; L224-Y232 HydrophobicContact CG-CE2 3.63Å; S228-Y232 WeakPolarHBondContact O-CB 3.26Å; S228-Y232 PolarHBondContact O-N 3.44Å; A229-Y232 WeakPolarHBondContact O-CB 3.44Å; A229-Y232 PolarHBondContact O-N 3.11Å; Y232-K234 VanDerWaalsContact C-N 3.33Å; Y232-K234 PolarHBondContact O-N 2.83Å; Y232-K235 PolarHBondContact O-N 2.69Å; Y232-K235 VanDerWaalsContact O-N 3.12Å; Y232-V236 HydrophobicContact CD1-CG2 3.8Å; Y232-V236 HydrophobicContact CE1-CG2 3.4Å; Y232-V236 WeakPolarHBondContact O-CG2 3.38Å; Y232-V236 PolarHBondContact O-N 2.69Å; Y232-L267 WeakPolarHBondContact CE1-O 3.47Å; Y232-L267 PolarHBondContact OH-O 3.12Å; Y232-I275 HydrophobicContact CD1-CD1 3.87Å; Y232-I275 HydrophobicContact CD1-CG1 4.08Å; Y232-I275 HydrophobicContact CE1-CD1 3.35Å; Y232-I275 HydrophobicContact CE1-CG1 3.92Å
233	I	93.6	Very high	94.4	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-56.5	-45.6	-179.3	-71.3	161	0	0	0	111.6	A229 V231 K235 V236 E237 I275 C297 M298 L301	A229-I233 WeakPolarHBondContact O-CB 3.45Å; A229-I233 WeakPolarHBondContact O-CD1 3.43Å; A229-I233 WeakPolarHBondContact O-CG1 3.28Å; A229-I233 PolarHBondContact O-N 3.23Å; V231-I233 PolarHBondContact O-N 3.28Å; I233-K235 PolarHBondContact O-N 3.46Å; I233-V236 PolarHBondContact O-N 3.2Å; I233-E237 PolarHBondContact O-N 2.64Å; I233-I275 HydrophobicContact CD1-CG2 4.46Å; I233-I275 HydrophobicContact CG1-CG2 4.45Å; I233-C297 HydrophobicContact CG2-CB 3.93Å; I233-M298 HydrophobicContact CD1-CB 3.7Å; I233-M298 HydrophobicContact CD1-CE 3.7Å; I233-M298 HydrophobicContact CD1-CG 3.87Å; I233-L301 HydrophobicContact CB-CD2 4.16Å; I233-L301 HydrophobicContact CG1-CD2 3.83Å; I233-L301 HydrophobicContact CG2-CB 4.24Å; I233-L301 HydrophobicContact CG2-CD2 3.99Å
234	K	93.3	Very high	94.5	Very high	119 Å²	119	43.9 Å²	43.9	52%	0.517	24%	0.239	S	C	.	.	H	α-helix	trans	-63.8	-40.5	178.1	-71.5	179.3	-178	-178.1	0	112.3	S230 V231 Y232 E237 A238	S230-K234 WeakPolarHBondContact O-CG 3.41Å; S230-K234 PolarHBondContact O-N 2.88Å; V231-K234 PolarHBondContact O-N 3.48Å; Y232-K234 VanDerWaalsContact C-N 3.33Å; Y232-K234 PolarHBondContact O-N 2.83Å; K234-E237 PolarHBondContact O-N 3.02Å; K234-A238 PolarHBondContact O-N 2.71Å
235	K	94.8	Very high	94.5	Very high	72 Å²	72	47.3 Å²	47.3	31%	0.313	25%	0.254	S	S	.	.	H	α-helix	trans	-65.3	-39.4	175.9	-74.5	-177.8	168.9	179.5	0	112	F223 N227 V231 Y232 I233 A238 R239	F223-K235 HydrophobicContact CD1-CD 4.24Å; F223-K235 HydrophobicContact CD2-CB 3.95Å; F223-K235 HydrophobicContact CD2-CD 4.18Å; F223-K235 HydrophobicContact CE1-CD 4.04Å; F223-K235 HydrophobicContact CE2-CB 3.58Å; F223-K235 HydrophobicContact CE2-CD 4Å; F223-K235 HydrophobicContact CE2-CG 4.36Å; F223-K235 HydrophobicContact CG-CD 4.3Å; F223-K235 HydrophobicContact CZ-CB 4.17Å; F223-K235 HydrophobicContact CZ-CD 3.93Å; N227-K235 PolarHBondContact OD1-NZ 2.84Å; V231-K235 HydrophobicContact CG1-CD 4.31Å; V231-K235 WeakPolarHBondContact O-CG 3.32Å; V231-K235 PolarHBondContact O-N 2.88Å; Y232-K235 PolarHBondContact O-N 2.69Å; Y232-K235 VanDerWaalsContact O-N 3.12Å; I233-K235 PolarHBondContact O-N 3.46Å; K235-A238 PolarHBondContact O-N 2.74Å; K235-R239 WeakPolarHBondContact O-CG 3.45Å; K235-R239 PolarHBondContact O-N 3.06Å
236	V	95.8	Very high	94.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.8	-44.1	174.9	178.1	0	0	0	0	111.1	Y232 I233 A238 R239 I240 L267 I268 L301	Y232-V236 HydrophobicContact CD1-CG2 3.8Å; Y232-V236 HydrophobicContact CE1-CG2 3.4Å; Y232-V236 WeakPolarHBondContact O-CG2 3.38Å; Y232-V236 PolarHBondContact O-N 2.69Å; I233-V236 PolarHBondContact O-N 3.2Å; V236-A238 VanDerWaalsContact C-N 3.33Å; V236-A238 PolarHBondContact O-N 3.43Å; V236-R239 PolarHBondContact O-N 3.09Å; V236-I240 HydrophobicContact CG1-CD1 4.14Å; V236-I240 WeakPolarHBondContact O-CG1 3.23Å; V236-I240 PolarHBondContact O-N 3.27Å; V236-L267 HydrophobicContact CB-CD1 4.44Å; V236-L267 HydrophobicContact CG1-CB 3.89Å; V236-L267 HydrophobicContact CG1-CD1 4.09Å; V236-L267 HydrophobicContact CG2-CB 3.87Å; V236-L267 HydrophobicContact CG2-CD1 4.1Å; V236-I268 HydrophobicContact CG1-CD1 4.14Å; V236-I268 HydrophobicContact CG1-CG1 3.83Å; V236-L301 HydrophobicContact CB-CD1 4.33Å; V236-L301 HydrophobicContact CB-CD2 4.41Å; V236-L301 HydrophobicContact CG1-CD1 3.82Å; V236-L301 HydrophobicContact CG1-CD2 4.4Å
237	E	94	Very high	94.7	Very high	49 Å²	49	37.8 Å²	37.8	23%	0.229	19%	0.194	C	C	.	.	H	α-helix	trans	-61.9	-40.9	176.4	-174	168.7	-148.2	0	0	111.9	I233 K234 I240 N241 K300	I233-E237 PolarHBondContact O-N 2.64Å; K234-E237 PolarHBondContact O-N 3.02Å; E237-I240 PolarHBondContact O-N 3.36Å; E237-N241 PolarHBondContact O-N 3.09Å; E237-N241 VanDerWaalsContact O-N 3.13Å; E237-N241 PolarHBondContact O-ND2 3.35Å; E237-K300 IonicContact OE1-NZ 2.72Å; E237-K300 PolarHBondContact OE1-NZ 3.45Å
238	A	95	Very high	94.8	Very high	40 Å²	40	43 Å²	43	33%	0.331	22%	0.221	S	C	.	.	H	α-helix	trans	-59.7	-47.5	173.5	0	0	0	0	0	111.8	K234 K235 V236 I240 N241 E242	K234-A238 PolarHBondContact O-N 2.71Å; K235-A238 PolarHBondContact O-N 2.74Å; V236-A238 VanDerWaalsContact C-N 3.33Å; V236-A238 PolarHBondContact O-N 3.43Å; A238-I240 PolarHBondContact O-N 3.07Å; A238-N241 PolarHBondContact O-N 3.4Å; A238-N241 VanDerWaalsContact O-N 3.15Å; A238-E242 WeakPolarHBondContact O-CG 3.48Å; A238-E242 PolarHBondContact O-N 2.57Å
239	R	95.8	Very high	94.7	Very high	37 Å²	37	44.7 Å²	44.7	14%	0.14	22%	0.224	C	C	.	.	H	α-helix	trans	-60.3	-41.7	177.1	-73.1	-54.5	-163.5	-167.1	-0.6	112.8	R172 F216 E219 K235 V236 N241 E242 E243 L267	R172-R239 PolarHBondContact O-NH1 3.23Å; F216-R239 HydrophobicContact CE1-CB 4.31Å; F216-R239 HydrophobicContact CE1-CG 4.31Å; E219-R239 IonicContact OE1-CZ 2.81Å; E219-R239 IonicContact OE1-NE 3.77Å; E219-R239 PolarHBondContact OE1-NE 2.88Å; E219-R239 IonicContact OE1-NH2 3.73Å; E219-R239 PolarHBondContact OE1-NH2 3.41Å; E219-R239 IonicContact OE2-CZ 2.94Å; E219-R239 IonicContact OE2-NE 3.63Å; E219-R239 PolarHBondContact OE2-NE 2.72Å; E219-R239 IonicContact OE2-NH2 3.98Å; K235-R239 WeakPolarHBondContact O-CG 3.45Å; K235-R239 PolarHBondContact O-N 3.06Å; V236-R239 PolarHBondContact O-N 3.09Å; R239-N241 VanDerWaalsContact C-N 3.31Å; R239-N241 PolarHBondContact O-N 2.9Å; R239-E242 VanDerWaalsContact CD-OE2 3.3Å; R239-E242 WeakPolarHBondContact CD-OE2 3.3Å; R239-E242 IonicContact CZ-OE2 2.62Å; R239-E242 IonicContact NE-OE2 2.76Å; R239-E242 IonicContact NH1-OE2 3.18Å; R239-E242 PolarHBondContact NH1-OE2 2.91Å; R239-E242 PolarHBondContact O-N 3.36Å; R239-E243 VanDerWaalsContact O-CG 3.31Å; R239-E243 WeakPolarHBondContact O-CG 3.36Å; R239-E243 PolarHBondContact O-N 3.14Å; R239-L267 HydrophobicContact CB-CD1 4.19Å; R239-L267 HydrophobicContact CG-CD1 4.44Å
240	I	96.1	Very high	94.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58	-46.4	175.3	-68.7	168.4	0	0	0	110.5	V236 E237 A238 E243 I244 V263 E264 I268 L301	V236-I240 HydrophobicContact CG1-CD1 4.14Å; V236-I240 WeakPolarHBondContact O-CG1 3.23Å; V236-I240 PolarHBondContact O-N 3.27Å; E237-I240 PolarHBondContact O-N 3.36Å; A238-I240 PolarHBondContact O-N 3.07Å; I240-E243 PolarHBondContact O-N 3.19Å; I240-I244 HydrophobicContact CG2-CD1 3.82Å; I240-I244 VanDerWaalsContact O-CG1 3.29Å; I240-I244 WeakPolarHBondContact O-CG1 3.28Å; I240-I244 PolarHBondContact O-N 3.14Å; I240-I244 VanDerWaalsContact O-N 3.07Å; I240-V263 HydrophobicContact CG1-CB 4.42Å; I240-V263 HydrophobicContact CG1-CG1 3.64Å; I240-E264 HydrophobicContact CD1-CG 4.47Å; I240-I268 HydrophobicContact CD1-CD1 4.4Å; I240-L301 HydrophobicContact CD1-CD1 4.35Å
241	N	95.9	Very high	94.8	Very high	76 Å²	76	45 Å²	45	41%	0.406	22%	0.224	S	C	.	.	H	α-helix	trans	-67.2	-41.9	-179.9	-65.6	-29.5	0	0	0	112.2	E237 A238 R239 E243 I244 E245	E237-N241 PolarHBondContact O-N 3.09Å; E237-N241 VanDerWaalsContact O-N 3.13Å; E237-N241 PolarHBondContact O-ND2 3.35Å; A238-N241 PolarHBondContact O-N 3.4Å; A238-N241 VanDerWaalsContact O-N 3.15Å; R239-N241 VanDerWaalsContact C-N 3.31Å; R239-N241 PolarHBondContact O-N 2.9Å; N241-E243 VanDerWaalsContact C-N 3.32Å; N241-E243 PolarHBondContact O-N 2.85Å; N241-I244 PolarHBondContact O-N 2.96Å; N241-E245 WeakPolarHBondContact O-CB 3.36Å; N241-E245 WeakPolarHBondContact O-CG 3.29Å; N241-E245 PolarHBondContact O-N 3.12Å
242	E	95.3	Very high	94.9	Very high	76 Å²	76	44.3 Å²	44.3	36%	0.355	22%	0.218	S	C	.	.	H	α-helix	trans	-59.8	-40.9	176	-72.8	170.1	-163.4	0	0	112	A238 R239 R246	A238-E242 WeakPolarHBondContact O-CG 3.48Å; A238-E242 PolarHBondContact O-N 2.57Å; R239-E242 VanDerWaalsContact CD-OE2 3.3Å; R239-E242 WeakPolarHBondContact CD-OE2 3.3Å; R239-E242 IonicContact CZ-OE2 2.62Å; R239-E242 IonicContact NE-OE2 2.76Å; R239-E242 IonicContact NH1-OE2 3.18Å; R239-E242 PolarHBondContact NH1-OE2 2.91Å; R239-E242 PolarHBondContact O-N 3.36Å; E242-R246 WeakPolarHBondContact O-CB 3.32Å; E242-R246 PolarHBondContact O-N 3.01Å
243	E	96.4	Very high	94.9	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-67.4	-42.9	176.1	-64.9	-62.6	125.8	0	0	111.8	R172 F216 R239 I240 N241 R246 V247 I259 V263	R172-E243 IonicContact CZ-OE1 3Å; R172-E243 IonicContact CZ-OE2 2.85Å; R172-E243 IonicContact NE-OE1 3.45Å; R172-E243 PolarHBondContact NE-OE1 3.49Å; R172-E243 IonicContact NE-OE2 3.99Å; R172-E243 VanDerWaalsContact NH2-CD 3.33Å; R172-E243 IonicContact NH2-OE1 2.87Å; R172-E243 PolarHBondContact NH2-OE1 3.02Å; R172-E243 IonicContact NH2-OE2 3.36Å; R172-E243 PolarHBondContact NH2-OE2 3.04Å; F216-E243 HydrophobicContact CE2-CG 4.24Å; F216-E243 HydrophobicContact CZ-CG 3.77Å; F216-E243 WeakPolarHBondContact CZ-OE1 3.44Å; R239-E243 VanDerWaalsContact O-CG 3.31Å; R239-E243 WeakPolarHBondContact O-CG 3.36Å; R239-E243 PolarHBondContact O-N 3.14Å; I240-E243 PolarHBondContact O-N 3.19Å; N241-E243 VanDerWaalsContact C-N 3.32Å; N241-E243 PolarHBondContact O-N 2.85Å; E243-R246 WeakPolarHBondContact O-CB 3.29Å; E243-R246 PolarHBondContact O-N 3.04Å; E243-R246 IonicContact OE1-CZ 3.9Å; E243-R246 IonicContact OE1-NH1 2.84Å; E243-R246 PolarHBondContact OE1-NH1 3.22Å; E243-R246 IonicContact OE1-NH2 2.66Å; E243-R246 PolarHBondContact OE1-NH2 3.06Å; E243-R246 VanDerWaalsContact OE1-NH2 3.15Å; E243-R246 IonicContact OE2-CZ 3.82Å; E243-R246 IonicContact OE2-NH1 3.85Å; E243-R246 PolarHBondContact OE2-NH1 3.44Å; E243-V247 WeakPolarHBondContact O-CG2 3.4Å; E243-V247 PolarHBondContact O-N 3Å; E243-I259 HydrophobicContact CB-CG1 4.24Å; E243-I259 HydrophobicContact CG-CG1 4.29Å; E243-I259 VanDerWaalsContact OE2-CG1 3.28Å; E243-I259 WeakPolarHBondContact OE2-CG1 3.44Å; E243-V263 HydrophobicContact CB-CG2 4.48Å; E243-V263 HydrophobicContact CG-CG2 3.79Å
244	I	96.2	Very high	95	Very high	50 Å²	50	55.4 Å²	55.4	26%	0.256	27%	0.272	S	S	.	.	H	α-helix	trans	-60.5	-46.4	175.6	-68.7	166.5	0	0	0	110.5	I240 N241 R246 V247 L248 E256 V260	I240-I244 HydrophobicContact CG2-CD1 3.82Å; I240-I244 VanDerWaalsContact O-CG1 3.29Å; I240-I244 WeakPolarHBondContact O-CG1 3.28Å; I240-I244 PolarHBondContact O-N 3.14Å; I240-I244 VanDerWaalsContact O-N 3.07Å; N241-I244 PolarHBondContact O-N 2.96Å; I244-R246 VanDerWaalsContact C-N 3.31Å; I244-R246 PolarHBondContact O-N 2.91Å; I244-V247 PolarHBondContact O-N 2.99Å; I244-L248 PolarHBondContact O-N 3.18Å; I244-E256 HydrophobicContact CG1-CG 4.25Å; I244-V260 HydrophobicContact CD1-CG2 4.17Å; I244-V260 HydrophobicContact CG1-CG2 3.73Å
245	E	95	Very high	95.2	Very high	107 Å²	107	49.8 Å²	49.8	50%	0.5	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-39.4	175.4	-75.8	-172.9	178.2	0	0	111.5	N241 V247 L248 H249	N241-E245 WeakPolarHBondContact O-CB 3.36Å; N241-E245 WeakPolarHBondContact O-CG 3.29Å; N241-E245 PolarHBondContact O-N 3.12Å; E245-V247 VanDerWaalsContact C-N 3.34Å; E245-V247 PolarHBondContact O-N 2.92Å; E245-L248 PolarHBondContact O-N 2.98Å; E245-H249 PolarHBondContact O-N 3.01Å; E245-H249 PolarHBondContact O-ND1 3.42Å
246	R	94.6	Very high	95.3	Very high	8 Å²	8	49.9 Å²	49.9	3%	0.03	25%	0.25	C	C	.	.	H	α-helix	trans	-62	-43.7	176.4	-170.8	177.9	-50.6	94.6	4.5	111.6	E171 E242 E243 I244 L248 H249 C250	E171-R246 VanDerWaalsContact OE2-CD 3.32Å; E171-R246 WeakPolarHBondContact OE2-CD 3.5Å; E171-R246 IonicContact OE2-CZ 3.62Å; E171-R246 IonicContact OE2-NE 2.69Å; E171-R246 PolarHBondContact OE2-NE 3.28Å; E242-R246 WeakPolarHBondContact O-CB 3.32Å; E242-R246 PolarHBondContact O-N 3.01Å; E243-R246 WeakPolarHBondContact O-CB 3.29Å; E243-R246 PolarHBondContact O-N 3.04Å; E243-R246 IonicContact OE1-CZ 3.9Å; E243-R246 IonicContact OE1-NH1 2.84Å; E243-R246 PolarHBondContact OE1-NH1 3.22Å; E243-R246 IonicContact OE1-NH2 2.66Å; E243-R246 PolarHBondContact OE1-NH2 3.06Å; E243-R246 VanDerWaalsContact OE1-NH2 3.15Å; E243-R246 IonicContact OE2-CZ 3.82Å; E243-R246 IonicContact OE2-NH1 3.85Å; E243-R246 PolarHBondContact OE2-NH1 3.44Å; I244-R246 VanDerWaalsContact C-N 3.31Å; I244-R246 PolarHBondContact O-N 2.91Å; R246-L248 VanDerWaalsContact C-N 3.33Å; R246-L248 PolarHBondContact O-N 3.09Å; R246-H249 PolarHBondContact O-N 2.82Å; R246-C250 HydrophobicContact CG-CB 4.43Å; R246-C250 WeakPolarHBondContact O-CB 3.42Å; R246-C250 PolarHBondContact O-N 3.2Å
247	V	96.4	Very high	95.3	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-57.9	-50.6	176.1	179.2	0	0	0	0	110	E243 I244 E245 H249 C250 L251 D252 E256 I259	E243-V247 WeakPolarHBondContact O-CG2 3.4Å; E243-V247 PolarHBondContact O-N 3Å; I244-V247 PolarHBondContact O-N 2.99Å; E245-V247 VanDerWaalsContact C-N 3.34Å; E245-V247 PolarHBondContact O-N 2.92Å; V247-H249 VanDerWaalsContact C-N 3.25Å; V247-H249 PolarHBondContact O-N 2.64Å; V247-C250 PolarHBondContact O-N 3.28Å; V247-L251 HydrophobicContact CG1-CB 4.27Å; V247-L251 HydrophobicContact CG2-CD1 4.29Å; V247-L251 CarbonylContact O-C 3.47Å; V247-L251 PolarHBondContact O-N 3.07Å; V247-D252 VanDerWaalsContact CG1-O 3.31Å; V247-D252 WeakPolarHBondContact CG1-O 3.31Å; V247-E256 HydrophobicContact CB-CB 4.43Å; V247-E256 HydrophobicContact CG1-CB 4.02Å; V247-E256 HydrophobicContact CG2-CB 4.44Å; V247-I259 HydrophobicContact CG2-CG2 3.77Å
248	L	94.6	Very high	95.5	Very high	139 Å²	139	55.3 Å²	55.3	73%	0.728	28%	0.278	S	S	*	.	H	α-helix	trans	-55.5	-38.7	-179.3	-177.2	65.8	0	0	0	113.4	I244 E245 R246	I244-L248 PolarHBondContact O-N 3.18Å; E245-L248 PolarHBondContact O-N 2.98Å; R246-L248 VanDerWaalsContact C-N 3.33Å; R246-L248 PolarHBondContact O-N 3.09Å
249	H	92.4	Very high	95.7	Very high	86 Å²	86	53.4 Å²	53.4	40%	0.398	26%	0.263	S	S	.	.	H	α-helix	trans	-89.1	-32.6	-175.1	-68.3	92.7	0	0	0	114	E245 R246 V247	E245-H249 PolarHBondContact O-N 3.01Å; E245-H249 PolarHBondContact O-ND1 3.42Å; R246-H249 PolarHBondContact O-N 2.82Å; V247-H249 VanDerWaalsContact C-N 3.25Å; V247-H249 PolarHBondContact O-N 2.64Å
250	C	92.4	Very high	95.8	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.007	26%	0.26	C	S	.	.	H	α-helix	trans	-127.9	-25.1	-163.3	-49.5	0	0	0	0	115	R179 I182 R183 R246 V247	R179-C250 VanDerWaalsContact CB-SG 3.51Å; R179-C250 VanDerWaalsContact CG-SG 3.51Å; I182-C250 HydrophobicContact CB-CB 4.3Å; I182-C250 HydrophobicContact CG2-CB 3.95Å; R183-C250 VanDerWaalsContact CA-O 3.26Å; R183-C250 WeakPolarHBondContact CA-O 3.5Å; R246-C250 HydrophobicContact CG-CB 4.43Å; R246-C250 WeakPolarHBondContact O-CB 3.42Å; R246-C250 PolarHBondContact O-N 3.2Å; V247-C250 PolarHBondContact O-N 3.28Å
251	L	95.4	Very high	95.8	Very high	19 Å²	19	57.8 Å²	57.8	10%	0.099	28%	0.284	C	S	.	.	S	Bend	trans	-118	173.3	-170.2	-50.4	-177.1	0	0	0	111.1	I168 I182 F204 F208 V247 T255	I168-L251 HydrophobicContact CD1-CD2 4.47Å; I182-L251 HydrophobicContact CG2-CD2 3.99Å; F204-L251 HydrophobicContact CE1-CD2 3.74Å; F204-L251 HydrophobicContact CZ-CD2 3.76Å; F208-L251 HydrophobicContact CD1-CD1 4.45Å; F208-L251 HydrophobicContact CE1-CD1 3.84Å; F208-L251 HydrophobicContact CZ-CD1 3.91Å; V247-L251 HydrophobicContact CG1-CB 4.27Å; V247-L251 HydrophobicContact CG2-CD1 4.29Å; V247-L251 CarbonylContact O-C 3.47Å; V247-L251 PolarHBondContact O-N 3.07Å; L251-T255 HydrophobicContact CD1-CG2 4.2Å
252	D	94.8	Very high	95.9	Very high	47 Å²	47	54.8 Å²	54.8	25%	0.251	27%	0.268	S	S	.	.			trans	-73.6	139.7	172.2	-170.2	-88.8	0	0	0	110.4	M190 Y200 V247 T254 T255	M190-D252 HydrophobicContact CE-CB 4.44Å; M190-D252 HydrophobicContact CG-CB 4.3Å; M190-D252 HydrophobicContact SD-CB 4.2Å; Y200-D252 HydrophobicContact CE1-CB 4.19Å; V247-D252 VanDerWaalsContact CG1-O 3.31Å; V247-D252 WeakPolarHBondContact CG1-O 3.31Å; D252-T254 PolarHBondContact O-N 3.19Å; D252-T254 VanDerWaalsContact OD1-CB 3.29Å; D252-T254 WeakPolarHBondContact OD1-CB 3.37Å; D252-T254 VanDerWaalsContact OD1-CG2 3.3Å; D252-T254 WeakPolarHBondContact OD1-CG2 3.35Å; D252-T254 PolarHBondContact OD1-N 3.25Å; D252-T254 PolarHBondContact OD1-OG1 3.48Å; D252-T255 WeakPolarHBondContact O-CB 3.34Å; D252-T255 PolarHBondContact O-N 2.9Å; D252-T255 PolarHBondContact O-OG1 3.06Å
253	K	95	Very high	96.1	Very high	167 Å²	167	51.1 Å²	51.1	73%	0.726	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-52.1	-33.3	-179.7	-179.9	-179.1	177.4	-177.9	0	112.7	T255 E256	K253-T255 PolarHBondContact O-N 3.31Å; K253-T255 VanDerWaalsContact O-N 3.12Å; K253-E256 WeakPolarHBondContact O-CB 3.29Å; K253-E256 PolarHBondContact O-N 3.27Å; K253-E256 VanDerWaalsContact O-N 3.14Å
254	T	95.4	Very high	96.1	Very high	68 Å²	68	52.5 Å²	52.5	42%	0.417	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-65.9	-10.9	179.9	59.9	0	0	0	0	113.8	R197 D252 P258	R197-T254 PolarHBondContact NH1-OG1 3.46Å; R197-T254 PolarHBondContact NH2-OG1 3.35Å; D252-T254 PolarHBondContact O-N 3.19Å; D252-T254 VanDerWaalsContact OD1-CB 3.29Å; D252-T254 WeakPolarHBondContact OD1-CB 3.37Å; D252-T254 VanDerWaalsContact OD1-CG2 3.3Å; D252-T254 WeakPolarHBondContact OD1-CG2 3.35Å; D252-T254 PolarHBondContact OD1-N 3.25Å; D252-T254 PolarHBondContact OD1-OG1 3.48Å; T254-P258 WeakPolarHBondContact O-CD 3.21Å
255	T	97	Very high	96.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-82.4	-19	175.4	-45.3	0	0	0	0	113.1	Y200 E205 F208 L251 D252 K253 E257 P258 I259	Y200-T255 WeakPolarHBondContact CE1-OG1 3.21Å; Y200-T255 PolarHBondContact OH-OG1 3.02Å; E205-T255 HydrophobicContact CG-CG2 4.02Å; E205-T255 WeakPolarHBondContact OE1-CA 3.49Å; E205-T255 PolarHBondContact OE1-OG1 2.62Å; F208-T255 HydrophobicContact CD1-CG2 4.21Å; F208-T255 HydrophobicContact CE1-CG2 3.94Å; L251-T255 HydrophobicContact CD1-CG2 4.2Å; D252-T255 WeakPolarHBondContact O-CB 3.34Å; D252-T255 PolarHBondContact O-N 2.9Å; D252-T255 PolarHBondContact O-OG1 3.06Å; K253-T255 PolarHBondContact O-N 3.31Å; K253-T255 VanDerWaalsContact O-N 3.12Å; T255-E257 PolarHBondContact O-N 3.5Å; T255-P258 VanDerWaalsContact O-CD 3.29Å; T255-P258 WeakPolarHBondContact O-CD 3.31Å; T255-I259 VanDerWaalsContact O-CG2 3.29Å; T255-I259 WeakPolarHBondContact O-CG2 3.28Å; T255-I259 PolarHBondContact O-N 3.45Å
256	E	97.4	Very high	96.3	Very high	75 Å²	75	50.7 Å²	50.7	35%	0.35	24%	0.243	S	C	.	.	H	α-helix	trans	-57.4	-51.1	-174.6	-169.3	-176.7	127.9	0	0	112.3	I244 V247 K253 I259 V260	I244-E256 HydrophobicContact CG1-CG 4.25Å; V247-E256 HydrophobicContact CB-CB 4.43Å; V247-E256 HydrophobicContact CG1-CB 4.02Å; V247-E256 HydrophobicContact CG2-CB 4.44Å; K253-E256 WeakPolarHBondContact O-CB 3.29Å; K253-E256 PolarHBondContact O-N 3.27Å; K253-E256 VanDerWaalsContact O-N 3.14Å; E256-I259 WeakPolarHBondContact O-CG2 3.2Å; E256-V260 WeakPolarHBondContact O-CB 3.35Å; E256-V260 WeakPolarHBondContact O-CG2 3.21Å; E256-V260 PolarHBondContact O-N 3.25Å
257	E	97.1	Very high	96.4	Very high	125 Å²	125	50.3 Å²	50.3	58%	0.584	24%	0.241	S	C	*	.	H	α-helix	trans	-64.7	-48	-179.4	178.4	-175.3	175.3	0	0	112.3	T255 I259 K261	T255-E257 PolarHBondContact O-N 3.5Å; E257-I259 PolarHBondContact O-N 3.04Å; E257-K261 HydrophobicContact CG-CD 4.31Å; E257-K261 WeakPolarHBondContact O-CB 3.32Å; E257-K261 WeakPolarHBondContact O-CG 3.49Å; E257-K261 PolarHBondContact O-N 3.42Å; E257-K261 VanDerWaalsContact OE1-CE 3.23Å; E257-K261 WeakPolarHBondContact OE1-CE 3.4Å; E257-K261 IonicContact OE1-NZ 3.6Å; E257-K261 PolarHBondContact OE1-NZ 2.96Å
258	P	97.9	Very high	96.4	Very high	38 Å²	38	50.2 Å²	50.2	25%	0.247	24%	0.241	C	C	.	.	H	α-helix	trans	-55.7	-47.5	174.3	-27.9	32.8	0	0	0	114.7	L209 T254 T255 K261 V262	L209-P258 HydrophobicContact CD1-CB 3.68Å; L209-P258 HydrophobicContact CD2-CB 3.95Å; L209-P258 HydrophobicContact CG-CB 4.48Å; T254-P258 WeakPolarHBondContact O-CD 3.21Å; T255-P258 VanDerWaalsContact O-CD 3.29Å; T255-P258 WeakPolarHBondContact O-CD 3.31Å; P258-K261 PolarHBondContact O-N 3.36Å; P258-V262 WeakPolarHBondContact O-CG2 3.39Å; P258-V262 PolarHBondContact O-N 3.43Å; P258-V262 VanDerWaalsContact O-N 3.09Å
259	I	97.9	Very high	96.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69.5	-40.4	-177.5	-171.8	58.3	0	0	0	111.6	F208 L209 E243 V247 T255 E256 E257 K261 V262 V263	F208-I259 HydrophobicContact CE1-CB 4.19Å; F208-I259 HydrophobicContact CE1-CD1 3.81Å; F208-I259 HydrophobicContact CE1-CG1 4.01Å; F208-I259 HydrophobicContact CZ-CD1 3.73Å; F208-I259 HydrophobicContact CZ-CG1 3.95Å; L209-I259 HydrophobicContact CD2-CB 3.98Å; L209-I259 HydrophobicContact CD2-CD1 4.02Å; E243-I259 HydrophobicContact CB-CG1 4.24Å; E243-I259 HydrophobicContact CG-CG1 4.29Å; E243-I259 VanDerWaalsContact OE2-CG1 3.28Å; E243-I259 WeakPolarHBondContact OE2-CG1 3.44Å; V247-I259 HydrophobicContact CG2-CG2 3.77Å; T255-I259 VanDerWaalsContact O-CG2 3.29Å; T255-I259 WeakPolarHBondContact O-CG2 3.28Å; T255-I259 PolarHBondContact O-N 3.45Å; E256-I259 WeakPolarHBondContact O-CG2 3.2Å; E257-I259 PolarHBondContact O-N 3.04Å; I259-K261 VanDerWaalsContact C-N 3.3Å; I259-K261 PolarHBondContact O-N 2.99Å; I259-V262 HydrophobicContact CD1-CB 4.46Å; I259-V262 WeakPolarHBondContact O-CB 3.3Å; I259-V262 PolarHBondContact O-N 3.43Å; I259-V262 VanDerWaalsContact O-N 3.07Å; I259-V263 WeakPolarHBondContact O-CG2 3.27Å; I259-V263 PolarHBondContact O-N 2.97Å
260	V	97.7	Very high	96.7	Very high	15 Å²	15	46.5 Å²	46.5	9%	0.091	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-41.6	175.4	171	0	0	0	0	110.3	I244 E256 V262 V263 E264	I244-V260 HydrophobicContact CD1-CG2 4.17Å; I244-V260 HydrophobicContact CG1-CG2 3.73Å; E256-V260 WeakPolarHBondContact O-CB 3.35Å; E256-V260 WeakPolarHBondContact O-CG2 3.21Å; E256-V260 PolarHBondContact O-N 3.25Å; V260-V262 VanDerWaalsContact C-N 3.3Å; V260-V262 PolarHBondContact O-N 2.91Å; V260-V263 PolarHBondContact O-N 3.41Å; V260-E264 HydrophobicContact CG1-CG 4.13Å; V260-E264 WeakPolarHBondContact O-CB 3.43Å; V260-E264 VanDerWaalsContact O-CG 3.31Å; V260-E264 WeakPolarHBondContact O-CG 3.22Å; V260-E264 PolarHBondContact O-N 3.37Å
261	K	97.6	Very high	96.8	Very high	114 Å²	114	47.9 Å²	47.9	50%	0.496	23%	0.229	S	C	.	.	H	α-helix	trans	-60.9	-36.8	174	-77.2	177.9	-176.2	169	0	112.9	E257 P258 I259 R265	E257-K261 HydrophobicContact CG-CD 4.31Å; E257-K261 WeakPolarHBondContact O-CB 3.32Å; E257-K261 WeakPolarHBondContact O-CG 3.49Å; E257-K261 PolarHBondContact O-N 3.42Å; E257-K261 VanDerWaalsContact OE1-CE 3.23Å; E257-K261 WeakPolarHBondContact OE1-CE 3.4Å; E257-K261 IonicContact OE1-NZ 3.6Å; E257-K261 PolarHBondContact OE1-NZ 2.96Å; P258-K261 PolarHBondContact O-N 3.36Å; I259-K261 VanDerWaalsContact C-N 3.3Å; I259-K261 PolarHBondContact O-N 2.99Å; K261-R265 WeakPolarHBondContact O-CB 3.4Å; K261-R265 PolarHBondContact O-N 3.34Å
262	V	98.3	Very high	96.8	Very high	12 Å²	12	48.3 Å²	48.3	7%	0.073	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-48	174.4	171.4	0	0	0	0	110.4	L209 A213 F216 P258 I259 V260 E264 R265 E266	L209-V262 HydrophobicContact CB-CG2 4.39Å; L209-V262 HydrophobicContact CD2-CG2 4.13Å; A213-V262 HydrophobicContact CB-CG1 3.75Å; F216-V262 HydrophobicContact CD2-CG1 4.41Å; P258-V262 WeakPolarHBondContact O-CG2 3.39Å; P258-V262 PolarHBondContact O-N 3.43Å; P258-V262 VanDerWaalsContact O-N 3.09Å; I259-V262 HydrophobicContact CD1-CB 4.46Å; I259-V262 WeakPolarHBondContact O-CB 3.3Å; I259-V262 PolarHBondContact O-N 3.43Å; I259-V262 VanDerWaalsContact O-N 3.07Å; V260-V262 VanDerWaalsContact C-N 3.3Å; V260-V262 PolarHBondContact O-N 2.91Å; V262-E264 PolarHBondContact O-N 3.21Å; V262-R265 PolarHBondContact O-N 3.14Å; V262-E266 HydrophobicContact CG1-CG 4.31Å; V262-E266 WeakPolarHBondContact O-CB 3.31Å; V262-E266 WeakPolarHBondContact O-CG 3.5Å; V262-E266 PolarHBondContact O-N 2.85Å
263	V	97.6	Very high	96.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.3	-48.6	177.3	-177.1	0	0	0	0	110.9	F216 I240 E243 I259 V260 R265 E266 L267	F216-V263 HydrophobicContact CD2-CG2 3.95Å; F216-V263 HydrophobicContact CE2-CG2 3.46Å; F216-V263 VanDerWaalsContact CE2-CG2 3.46Å; F216-V263 HydrophobicContact CZ-CG2 3.79Å; I240-V263 HydrophobicContact CG1-CB 4.42Å; I240-V263 HydrophobicContact CG1-CG1 3.64Å; E243-V263 HydrophobicContact CB-CG2 4.48Å; E243-V263 HydrophobicContact CG-CG2 3.79Å; I259-V263 WeakPolarHBondContact O-CG2 3.27Å; I259-V263 PolarHBondContact O-N 2.97Å; V260-V263 PolarHBondContact O-N 3.41Å; V263-R265 VanDerWaalsContact C-N 3.31Å; V263-R265 PolarHBondContact O-N 3.24Å; V263-E266 PolarHBondContact O-N 2.86Å; V263-L267 HydrophobicContact CG1-CD1 3.67Å; V263-L267 HydrophobicContact CG1-CG 4.21Å; V263-L267 VanDerWaalsContact O-CB 3.3Å; V263-L267 WeakPolarHBondContact O-CB 3.45Å; V263-L267 PolarHBondContact O-N 3.33Å
264	E	97.4	Very high	96.7	Very high	29 Å²	29	47.9 Å²	47.9	14%	0.136	23%	0.233	C	C	.	.	I	π-helix	trans	-64	-35.1	179.8	-71.6	177.7	163.6	0	0	112.3	I240 V260 V262 I268 S269 R304 V305	I240-E264 HydrophobicContact CD1-CG 4.47Å; V260-E264 HydrophobicContact CG1-CG 4.13Å; V260-E264 WeakPolarHBondContact O-CB 3.43Å; V260-E264 VanDerWaalsContact O-CG 3.31Å; V260-E264 WeakPolarHBondContact O-CG 3.22Å; V260-E264 PolarHBondContact O-N 3.37Å; V262-E264 PolarHBondContact O-N 3.21Å; E264-I268 HydrophobicContact CB-CD1 4.32Å; E264-I268 HydrophobicContact CG-CD1 4.09Å; E264-I268 WeakPolarHBondContact O-CA 3.33Å; E264-I268 VanDerWaalsContact O-CB 3.28Å; E264-I268 WeakPolarHBondContact O-CB 3.36Å; E264-I268 PolarHBondContact O-N 2.8Å; E264-S269 PolarHBondContact O-N 3.42Å; E264-S269 PolarHBondContact O-OG 3.36Å; E264-R304 WeakPolarHBondContact OE1-CB 3.39Å; E264-R304 IonicContact OE1-NH1 2.82Å; E264-R304 PolarHBondContact OE1-NH1 3.44Å; E264-V305 HydrophobicContact CB-CG1 3.95Å
265	R	97.5	Very high	96.7	Very high	116 Å²	116	44.7 Å²	44.7	44%	0.438	21%	0.213	S	C	.	.	I	π-helix	trans	-68.3	-52.1	175.3	-173.6	-175.4	72.4	-159.1	-0.9	111.4	K261 V262 V263 S269 K270	K261-R265 WeakPolarHBondContact O-CB 3.4Å; K261-R265 PolarHBondContact O-N 3.34Å; V262-R265 PolarHBondContact O-N 3.14Å; V263-R265 VanDerWaalsContact C-N 3.31Å; V263-R265 PolarHBondContact O-N 3.24Å; R265-S269 PolarHBondContact O-N 3.08Å; R265-K270 WeakPolarHBondContact O-CG 3.36Å; R265-K270 PolarHBondContact O-N 3.34Å; R265-K270 VanDerWaalsContact O-N 3.14Å
266	E	97.7	Very high	96.6	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.014	21%	0.213	C	C	.	.	I	π-helix	trans	-76.5	-39.7	-171.7	-63.3	-54.2	140.5	0	0	113	A213 F216 V262 V263 K270 H271	A213-E266 HydrophobicContact CB-CG 4.29Å; F216-E266 HydrophobicContact CB-CB 3.73Å; F216-E266 HydrophobicContact CB-CG 4.27Å; V262-E266 HydrophobicContact CG1-CG 4.31Å; V262-E266 WeakPolarHBondContact O-CB 3.31Å; V262-E266 WeakPolarHBondContact O-CG 3.5Å; V262-E266 PolarHBondContact O-N 2.85Å; V263-E266 PolarHBondContact O-N 2.86Å; E266-K270 WeakPolarHBondContact OE1-CE 3.45Å; E266-K270 IonicContact OE1-NZ 3.65Å; E266-K270 PolarHBondContact OE1-NZ 3.01Å; E266-K270 WeakPolarHBondContact OE2-CD 3.36Å; E266-K270 WeakPolarHBondContact OE2-CE 3.46Å; E266-K270 IonicContact OE2-NZ 3.02Å; E266-K270 PolarHBondContact OE2-NZ 3.37Å; E266-H271 PolarHBondContact O-CD2 3.37Å; E266-H271 PolarHBondContact O-NE2 3.16Å
267	L	96.9	Very high	96.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.225	C	C	.	.	I	π-helix	trans	-93.6	-23.9	-176.2	-59.8	-173.5	0	0	0	113.9	F216 Y232 V236 R239 V263	F216-L267 HydrophobicContact CB-CD2 4.07Å; F216-L267 HydrophobicContact CB-CG 4.25Å; F216-L267 HydrophobicContact CD1-CD1 3.95Å; F216-L267 HydrophobicContact CD1-CD2 4.29Å; F216-L267 HydrophobicContact CD1-CG 4.25Å; F216-L267 HydrophobicContact CE1-CD1 4.44Å; F216-L267 HydrophobicContact CG-CG 4.46Å; F216-L267 WeakPolarHBondContact O-CD2 3.28Å; Y232-L267 WeakPolarHBondContact CE1-O 3.47Å; Y232-L267 PolarHBondContact OH-O 3.12Å; V236-L267 HydrophobicContact CB-CD1 4.44Å; V236-L267 HydrophobicContact CG1-CB 3.89Å; V236-L267 HydrophobicContact CG1-CD1 4.09Å; V236-L267 HydrophobicContact CG2-CB 3.87Å; V236-L267 HydrophobicContact CG2-CD1 4.1Å; R239-L267 HydrophobicContact CB-CD1 4.19Å; R239-L267 HydrophobicContact CG-CD1 4.44Å; V263-L267 HydrophobicContact CG1-CD1 3.67Å; V263-L267 HydrophobicContact CG1-CG 4.21Å; V263-L267 VanDerWaalsContact O-CB 3.3Å; V263-L267 WeakPolarHBondContact O-CB 3.45Å; V263-L267 PolarHBondContact O-N 3.33Å
268	I	96.4	Very high	96.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-115.2	-64.6	-176.1	-47.1	169.3	0	0	0	110.5	V236 I240 E264 K270 H271 M272 L301 V305	V236-I268 HydrophobicContact CG1-CD1 4.14Å; V236-I268 HydrophobicContact CG1-CG1 3.83Å; I240-I268 HydrophobicContact CD1-CD1 4.4Å; E264-I268 HydrophobicContact CB-CD1 4.32Å; E264-I268 HydrophobicContact CG-CD1 4.09Å; E264-I268 WeakPolarHBondContact O-CA 3.33Å; E264-I268 VanDerWaalsContact O-CB 3.28Å; E264-I268 WeakPolarHBondContact O-CB 3.36Å; E264-I268 PolarHBondContact O-N 2.8Å; I268-K270 PolarHBondContact O-N 3.48Å; I268-H271 CarbonylContact O-C 3.42Å; I268-H271 PolarHBondContact O-N 3.18Å; I268-M272 HydrophobicContact CG2-CG 4.39Å; I268-M272 WeakPolarHBondContact O-CG 3.4Å; I268-M272 PolarHBondContact O-N 2.87Å; I268-L301 HydrophobicContact CD1-CD1 3.49Å; I268-L301 VanDerWaalsContact CD1-CD1 3.49Å; I268-L301 HydrophobicContact CD1-CD2 4.44Å; I268-L301 HydrophobicContact CD1-CG 3.77Å; I268-L301 HydrophobicContact CG1-CD1 4.1Å; I268-L301 HydrophobicContact CG1-CD2 4.25Å; I268-L301 HydrophobicContact CG1-CG 4.1Å; I268-L301 HydrophobicContact CG2-CG 4.45Å; I268-V305 HydrophobicContact CB-CG1 4.09Å; I268-V305 HydrophobicContact CD1-CG1 4.3Å; I268-V305 HydrophobicContact CG2-CG1 4.07Å; I268-V305 HydrophobicContact CG2-CG2 3.72Å
269	S	96.4	Very high	95.8	Very high	37 Å²	37	48.6 Å²	48.6	26%	0.259	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-59.8	-42.8	-167	-58.3	0	0	0	0	113.2	E264 R265 H271 M272 V305	E264-S269 PolarHBondContact O-N 3.42Å; E264-S269 PolarHBondContact O-OG 3.36Å; R265-S269 PolarHBondContact O-N 3.08Å; S269-H271 VanDerWaalsContact C-N 3.25Å; S269-H271 PolarHBondContact O-N 2.93Å; S269-M272 WeakPolarHBondContact O-CE 3.48Å; S269-V305 WeakPolarHBondContact OG-CG1 3.48Å
270	K	96.1	Very high	95.4	Very high	110 Å²	110	54.4 Å²	54.4	48%	0.478	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-68.2	-22.6	178.6	-72.7	-177.7	-176.6	177.3	0	113.7	R265 E266 I268	R265-K270 WeakPolarHBondContact O-CG 3.36Å; R265-K270 PolarHBondContact O-N 3.34Å; R265-K270 VanDerWaalsContact O-N 3.14Å; E266-K270 WeakPolarHBondContact OE1-CE 3.45Å; E266-K270 IonicContact OE1-NZ 3.65Å; E266-K270 PolarHBondContact OE1-NZ 3.01Å; E266-K270 WeakPolarHBondContact OE2-CD 3.36Å; E266-K270 WeakPolarHBondContact OE2-CE 3.46Å; E266-K270 IonicContact OE2-NZ 3.02Å; E266-K270 PolarHBondContact OE2-NZ 3.37Å; I268-K270 PolarHBondContact O-N 3.48Å
271	H	95.3	Very high	95.2	Very high	31 Å²	31	54.4 Å²	54.4	14%	0.144	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-119.5	8.1	-169	-56.8	-57	0	0	0	114.1	S220 L224 E266 I268 S269 K273 T274 I275	S220-H271 VanDerWaalsContact CB-NE2 3.3Å; S220-H271 WeakPolarHBondContact CB-NE2 3.45Å; S220-H271 PolarHBondContact OG-NE2 3.49Å; L224-H271 HydrophobicContact CD1-CB 4.17Å; E266-H271 PolarHBondContact O-CD2 3.37Å; E266-H271 PolarHBondContact O-NE2 3.16Å; I268-H271 CarbonylContact O-C 3.42Å; I268-H271 PolarHBondContact O-N 3.18Å; S269-H271 VanDerWaalsContact C-N 3.25Å; S269-H271 PolarHBondContact O-N 2.93Å; H271-K273 VanDerWaalsContact C-N 3.33Å; H271-K273 PolarHBondContact O-N 3Å; H271-T274 WeakPolarHBondContact O-CB 3.46Å; H271-T274 PolarHBondContact O-N 3.22Å; H271-T274 VanDerWaalsContact O-N 3.09Å; H271-I275 HydrophobicContact CB-CD1 3.91Å; H271-I275 HydrophobicContact CB-CG1 4.23Å; H271-I275 WeakPolarHBondContact O-CG1 3.3Å; H271-I275 PolarHBondContact O-N 2.94Å
272	M	94.3	Very high	95.1	Very high	28 Å²	28	49 Å²	49	14%	0.138	24%	0.237	C	C	.	.	H	α-helix	trans	-49.4	-50	-175.2	-70.6	-172.8	-70	0	0	113.1	I268 S269 V276 F302 V305 G308 T311	I268-M272 HydrophobicContact CG2-CG 4.39Å; I268-M272 WeakPolarHBondContact O-CG 3.4Å; I268-M272 PolarHBondContact O-N 2.87Å; S269-M272 WeakPolarHBondContact O-CE 3.48Å; M272-V276 WeakPolarHBondContact O-CB 3.36Å; M272-V276 WeakPolarHBondContact O-CG2 3Å; M272-V276 PolarHBondContact O-N 3.11Å; M272-F302 HydrophobicContact CB-CE1 3.73Å; M272-F302 HydrophobicContact CB-CZ 4.37Å; M272-F302 HydrophobicContact CG-CD1 4.33Å; M272-F302 HydrophobicContact CG-CE1 3.89Å; M272-V305 HydrophobicContact CG-CG2 4.49Å; M272-V305 HydrophobicContact SD-CG2 3.69Å; M272-G308 VanDerWaalsContact SD-CA 3.56Å; M272-T311 HydrophobicContact CB-CG2 4.31Å
273	K	94.4	Very high	95	Very high	129 Å²	129	48.5 Å²	48.5	56%	0.561	23%	0.234	S	C	*	.	H	α-helix	trans	-64.2	-49.1	178.8	-70.6	-170.2	176.3	-172	0	111.5	H271 I275 V276 E277 T311	H271-K273 VanDerWaalsContact C-N 3.33Å; H271-K273 PolarHBondContact O-N 3Å; K273-I275 VanDerWaalsContact C-N 3.28Å; K273-I275 PolarHBondContact O-N 3.18Å; K273-V276 PolarHBondContact O-N 3.45Å; K273-E277 VanDerWaalsContact O-CB 3.28Å; K273-E277 WeakPolarHBondContact O-CB 3.47Å; K273-E277 WeakPolarHBondContact O-CG 3.49Å; K273-E277 PolarHBondContact O-N 2.93Å; K273-T311 HydrophobicContact CG-CG2 3.96Å
274	T	94.6	Very high	94.9	Very high	76 Å²	76	50.4 Å²	50.4	47%	0.466	25%	0.246	S	C	.	.	H	α-helix	trans	-56.1	-41.6	179.2	-48.4	0	0	0	0	112.4	L224 H271 M278	L224-T274 HydrophobicContact CD1-CG2 4.41Å; L224-T274 HydrophobicContact CD2-CG2 4.31Å; H271-T274 WeakPolarHBondContact O-CB 3.46Å; H271-T274 PolarHBondContact O-N 3.22Å; H271-T274 VanDerWaalsContact O-N 3.09Å; T274-M278 WeakPolarHBondContact O-CA 3.42Å; T274-M278 WeakPolarHBondContact O-CB 3.45Å; T274-M278 PolarHBondContact O-N 3.19Å
275	I	94.4	Very high	94.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-70.4	-45.3	179	-62.9	160	0	0	0	111	L224 A229 Y232 I233 H271 K273 M278 M298 F302	L224-I275 HydrophobicContact CD2-CG1 3.99Å; A229-I275 HydrophobicContact CB-CG2 4.37Å; Y232-I275 HydrophobicContact CD1-CD1 3.87Å; Y232-I275 HydrophobicContact CD1-CG1 4.08Å; Y232-I275 HydrophobicContact CE1-CD1 3.35Å; Y232-I275 HydrophobicContact CE1-CG1 3.92Å; I233-I275 HydrophobicContact CD1-CG2 4.46Å; I233-I275 HydrophobicContact CG1-CG2 4.45Å; H271-I275 HydrophobicContact CB-CD1 3.91Å; H271-I275 HydrophobicContact CB-CG1 4.23Å; H271-I275 WeakPolarHBondContact O-CG1 3.3Å; H271-I275 PolarHBondContact O-N 2.94Å; K273-I275 VanDerWaalsContact C-N 3.28Å; K273-I275 PolarHBondContact O-N 3.18Å; I275-M278 WeakPolarHBondContact O-CB 3.34Å; I275-M278 PolarHBondContact O-N 3.39Å; I275-M298 HydrophobicContact CG2-CE 4.32Å; I275-F302 HydrophobicContact CB-CZ 4.14Å; I275-F302 HydrophobicContact CG2-CE2 4.13Å; I275-F302 HydrophobicContact CG2-CZ 4.09Å
276	V	95.1	Very high	94.8	Very high	1 Å²	1	46 Å²	46	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-66.8	-39.9	-178.7	166.4	0	0	0	0	111.5	M272 K273 G282 L283 M298 F302 M312 C315	M272-V276 WeakPolarHBondContact O-CB 3.36Å; M272-V276 WeakPolarHBondContact O-CG2 3Å; M272-V276 PolarHBondContact O-N 3.11Å; K273-V276 PolarHBondContact O-N 3.45Å; V276-G282 CarbonylContact O-C 3.3Å; V276-L283 HydrophobicContact CG1-CB 3.93Å; V276-L283 HydrophobicContact CG1-CD2 4.01Å; V276-L283 WeakPolarHBondContact O-CB 3.29Å; V276-L283 PolarHBondContact O-N 3.43Å; V276-M298 HydrophobicContact CG2-SD 4.38Å; V276-F302 HydrophobicContact CG2-CD1 4.31Å; V276-F302 HydrophobicContact CG2-CE1 3.4Å; V276-F302 HydrophobicContact CG2-CZ 3.55Å; V276-M312 HydrophobicContact CG2-CG 3.98Å; V276-C315 HydrophobicContact CG1-CB 3.34Å; V276-C315 VanDerWaalsContact CG1-SG 3.55Å
277	E	94.4	Very high	94.7	Very high	127 Å²	127	45.8 Å²	45.8	59%	0.593	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	5.1	-176.4	-61.7	173.8	173.2	0	0	112.6	K273 E279	K273-E277 VanDerWaalsContact O-CB 3.28Å; K273-E277 WeakPolarHBondContact O-CB 3.47Å; K273-E277 WeakPolarHBondContact O-CG 3.49Å; K273-E277 PolarHBondContact O-N 2.93Å; E277-E279 PolarHBondContact O-N 3.1Å
278	M	93.5	Very high	94.6	Very high	31 Å²	31	51.2 Å²	51.2	15%	0.153	25%	0.252	C	S	.	.			trans	-54.6	127.8	-176.9	-168.1	174.3	-77.5	0	0	111.4	L224 A229 T274 I275 N280 S281 G282	L224-M278 HydrophobicContact CD2-CE 3.63Å; A229-M278 HydrophobicContact CB-CB 4.4Å; A229-M278 HydrophobicContact CB-SD 3.96Å; A229-M278 PolarHBondContact N-SD 3.25Å; T274-M278 WeakPolarHBondContact O-CA 3.42Å; T274-M278 WeakPolarHBondContact O-CB 3.45Å; T274-M278 PolarHBondContact O-N 3.19Å; I275-M278 WeakPolarHBondContact O-CB 3.34Å; I275-M278 PolarHBondContact O-N 3.39Å; M278-N280 PolarHBondContact O-N 3.41Å; M278-S281 WeakPolarHBondContact CG-OG 3.45Å; M278-S281 PolarHBondContact O-N 3.4Å; M278-S281 PolarHBondContact SD-OG 3.39Å; M278-G282 WeakPolarHBondContact O-CA 3.38Å; M278-G282 PolarHBondContact O-N 3.38Å
279	E	89.1	Confident	94.6	Very high	162 Å²	162	55.8 Å²	55.8	76%	0.757	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	137.6	-177.5	-154.9	-174.6	158.1	0	0	110.8	E277 S281	E277-E279 PolarHBondContact O-N 3.1Å; E279-S281 PolarHBondContact O-N 3.35Å
280	N	89.4	Confident	94.5	Very high	122 Å²	122	54.9 Å²	54.9	65%	0.652	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	7.2	177	-57.3	-48.7	0	0	0	116.8	M278 H285	M278-N280 PolarHBondContact O-N 3.41Å; N280-H285 VanDerWaalsContact C-CG 3.46Å; N280-H285 PolarHBondContact O-CD2 3.4Å; N280-H285 VanDerWaalsContact O-CD2 3.24Å; N280-H285 PolarHBondContact O-CE1 3.26Å; N280-H285 VanDerWaalsContact O-CG 3.24Å; N280-H285 PolarHBondContact O-ND1 3.3Å; N280-H285 PolarHBondContact O-NE2 3.13Å
281	S	93.4	Very high	94.4	Very high	14 Å²	14	53.8 Å²	53.8	10%	0.098	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-148.3	-16.5	178.2	64.7	0	0	0	0	115.4	A229 M278 E279 M286	A229-S281 WeakPolarHBondContact CB-O 3.23Å; A229-S281 PolarHBondContact N-OG 2.98Å; A229-S281 VanDerWaalsContact N-OG 3.14Å; M278-S281 WeakPolarHBondContact CG-OG 3.45Å; M278-S281 PolarHBondContact O-N 3.4Å; M278-S281 PolarHBondContact SD-OG 3.39Å; E279-S281 PolarHBondContact O-N 3.35Å; S281-M286 WeakPolarHBondContact O-CE 3.5Å
282	G	93.9	Very high	94.4	Very high	2 Å²	2	53.7 Å²	53.7	2%	0.021	27%	0.27	C	S	.	.	S	Bend	trans	-68.6	-170.8	178.5	0	0	0	0	0	114.4	V276 M278 V284 H285 M286	V276-G282 CarbonylContact O-C 3.3Å; M278-G282 WeakPolarHBondContact O-CA 3.38Å; M278-G282 PolarHBondContact O-N 3.38Å; G282-V284 VanDerWaalsContact C-N 3.34Å; G282-V284 PolarHBondContact O-N 3.02Å; G282-H285 WeakPolarHBondContact O-CB 3.48Å; G282-H285 PolarHBondContact O-N 3.43Å; G282-M286 WeakPolarHBondContact O-CG 3.39Å; G282-M286 PolarHBondContact O-N 2.95Å
283	L	96.4	Very high	94.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-54.7	-46.2	-170.4	-179.2	64.8	0	0	0	112.7	V276 H285 M286 L287 L295 M298 M312 C315 M316	V276-L283 HydrophobicContact CG1-CB 3.93Å; V276-L283 HydrophobicContact CG1-CD2 4.01Å; V276-L283 WeakPolarHBondContact O-CB 3.29Å; V276-L283 PolarHBondContact O-N 3.43Å; L283-H285 VanDerWaalsContact C-N 3.32Å; L283-H285 PolarHBondContact O-N 3.25Å; L283-M286 PolarHBondContact O-N 2.86Å; L283-L287 HydrophobicContact CD1-CD1 4.39Å; L283-L287 HydrophobicContact CD1-CG 4.41Å; L283-L287 HydrophobicContact CG-CD1 4.03Å; L283-L287 HydrophobicContact CG-CG 4.47Å; L283-L287 VanDerWaalsContact O-CG 3.31Å; L283-L287 WeakPolarHBondContact O-CG 3.48Å; L283-L287 PolarHBondContact O-N 3.02Å; L283-L295 HydrophobicContact CD1-CD2 3.38Å; L283-M298 HydrophobicContact CB-SD 4.12Å; L283-M298 HydrophobicContact CD1-SD 3.97Å; L283-M312 HydrophobicContact CD1-CE 4.13Å; L283-M312 HydrophobicContact CD2-CB 4.3Å; L283-M312 WeakPolarHBondContact CD2-O 3.27Å; L283-C315 HydrophobicContact CD2-CB 3.93Å; L283-M316 HydrophobicContact CD2-CB 4.2Å
284	V	96.4	Very high	94.4	Very high	41 Å²	41	55 Å²	55	25%	0.248	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-41.5	179.8	176.3	0	0	0	0	111.4	G282 L287 K288 Y319	G282-V284 VanDerWaalsContact C-N 3.34Å; G282-V284 PolarHBondContact O-N 3.02Å; V284-L287 PolarHBondContact O-N 3.29Å; V284-K288 HydrophobicContact CG1-CD 4.02Å; V284-K288 HydrophobicContact CG1-CG 4.35Å; V284-K288 WeakPolarHBondContact O-CB 3.21Å; V284-K288 WeakPolarHBondContact O-CG 3.34Å; V284-K288 PolarHBondContact O-N 3.27Å; V284-Y319 HydrophobicContact CG1-CD2 3.66Å; V284-Y319 HydrophobicContact CG1-CE2 4.01Å; V284-Y319 HydrophobicContact CG1-CG 4.09Å; V284-Y319 HydrophobicContact CG2-CG 4.39Å
285	H	96.1	Very high	94.5	Very high	51 Å²	51	51.4 Å²	51.4	24%	0.236	26%	0.257	C	S	.	.	H	α-helix	trans	-65.3	-42.1	177.3	176.9	-88.5	0	0	0	111.4	N280 G282 L283 K288 N289	N280-H285 VanDerWaalsContact C-CG 3.46Å; N280-H285 PolarHBondContact O-CD2 3.4Å; N280-H285 VanDerWaalsContact O-CD2 3.24Å; N280-H285 PolarHBondContact O-CE1 3.26Å; N280-H285 VanDerWaalsContact O-CG 3.24Å; N280-H285 PolarHBondContact O-ND1 3.3Å; N280-H285 PolarHBondContact O-NE2 3.13Å; G282-H285 WeakPolarHBondContact O-CB 3.48Å; G282-H285 PolarHBondContact O-N 3.43Å; L283-H285 VanDerWaalsContact C-N 3.32Å; L283-H285 PolarHBondContact O-N 3.25Å; H285-K288 PolarHBondContact O-N 2.98Å; H285-N289 PolarHBondContact CD2-ND2 3.49Å; H285-N289 VanDerWaalsContact CD2-ND2 3.28Å; H285-N289 PolarHBondContact CE1-ND2 3.15Å; H285-N289 VanDerWaalsContact CE1-ND2 3.3Å; H285-N289 PolarHBondContact NE2-ND2 2.88Å; H285-N289 PolarHBondContact O-N 2.81Å; H285-N289 PolarHBondContact O-ND2 3.01Å
286	M	96.3	Very high	94.5	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-43.3	175.5	-62.5	179.2	-174.2	0	0	111.7	A229 S230 S281 G282 L283 N289 G290 K291 D294 L295 M298	A229-M286 HydrophobicContact CB-CE 3.96Å; S230-M286 WeakPolarHBondContact OG-CE 3.36Å; S281-M286 WeakPolarHBondContact O-CE 3.5Å; G282-M286 WeakPolarHBondContact O-CG 3.39Å; G282-M286 PolarHBondContact O-N 2.95Å; L283-M286 PolarHBondContact O-N 2.86Å; M286-N289 PolarHBondContact O-N 2.72Å; M286-G290 PolarHBondContact O-N 3.4Å; M286-K291 HydrophobicContact CB-CB 4.27Å; M286-K291 PolarHBondContact O-N 3.03Å; M286-D294 HydrophobicContact CE-CB 4.11Å; M286-D294 HydrophobicContact CG-CB 4.34Å; M286-D294 HydrophobicContact SD-CB 3.8Å; M286-L295 HydrophobicContact CB-CD2 3.63Å; M286-L295 HydrophobicContact CB-CG 3.87Å; M286-L295 HydrophobicContact SD-CD2 4.18Å; M286-M298 HydrophobicContact CE-CE 3.51Å; M286-M298 HydrophobicContact SD-CE 3.75Å
287	L	96.4	Very high	94.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.2	-48.3	175.4	-70.4	170.1	0	0	0	111.3	L283 V284 N289 G290 L295 M316 Y319 R350 F354 F359	L283-L287 HydrophobicContact CD1-CD1 4.39Å; L283-L287 HydrophobicContact CD1-CG 4.41Å; L283-L287 HydrophobicContact CG-CD1 4.03Å; L283-L287 HydrophobicContact CG-CG 4.47Å; L283-L287 VanDerWaalsContact O-CG 3.31Å; L283-L287 WeakPolarHBondContact O-CG 3.48Å; L283-L287 PolarHBondContact O-N 3.02Å; V284-L287 PolarHBondContact O-N 3.29Å; L287-N289 VanDerWaalsContact C-N 3.31Å; L287-N289 PolarHBondContact O-N 3.45Å; L287-G290 PolarHBondContact O-N 2.94Å; L287-L295 HydrophobicContact CD2-CD1 3.94Å; L287-L295 HydrophobicContact CD2-CD2 4.24Å; L287-L295 HydrophobicContact CG-CD2 4.3Å; L287-M316 HydrophobicContact CD1-CB 4.38Å; L287-M316 HydrophobicContact CD1-CG 4.08Å; L287-Y319 HydrophobicContact CB-CD1 4.19Å; L287-Y319 HydrophobicContact CB-CE1 3.87Å; L287-Y319 HydrophobicContact CD1-CD1 3.79Å; L287-Y319 HydrophobicContact CD1-CE1 4.31Å; L287-R350 PolarHBondContact O-NH2 2.94Å; L287-F354 HydrophobicContact CB-CE2 4.39Å; L287-F354 HydrophobicContact CD2-CD2 3.45Å; L287-F354 VanDerWaalsContact CD2-CD2 3.45Å; L287-F354 HydrophobicContact CD2-CE2 3.6Å; L287-F354 HydrophobicContact CD2-CG 4.11Å; L287-F354 HydrophobicContact CD2-CZ 4.37Å; L287-F354 WeakPolarHBondContact O-CZ 3.28Å; L287-F359 HydrophobicContact CD2-CZ 4.41Å
288	K	95.2	Very high	94.6	Very high	113 Å²	113	48.7 Å²	48.7	49%	0.491	25%	0.253	S	S	.	.	H	α-helix	trans	-58.7	-38	179.4	-80.9	178.4	179.1	-179.4	0	113.3	V284 H285 Y319 R350	V284-K288 HydrophobicContact CG1-CD 4.02Å; V284-K288 HydrophobicContact CG1-CG 4.35Å; V284-K288 WeakPolarHBondContact O-CB 3.21Å; V284-K288 WeakPolarHBondContact O-CG 3.34Å; V284-K288 PolarHBondContact O-N 3.27Å; H285-K288 PolarHBondContact O-N 2.98Å; K288-Y319 HydrophobicContact CD-CE2 4.31Å; K288-Y319 VanDerWaalsContact CE-CE2 3.46Å; K288-Y319 HydrophobicContact CG-CE2 3.87Å; K288-Y319 VanDerWaalsContact CG-OH 3.24Å; K288-Y319 WeakPolarHBondContact CG-OH 3.31Å; K288-R350 PolarHBondContact O-NH2 2.86Å
289	N	95.4	Very high	94.8	Very high	96 Å²	96	48.7 Å²	48.7	51%	0.513	25%	0.252	S	S	.	.	H	α-helix	trans	-98.3	1.3	-178.2	-64	-70.4	0	0	0	113.9	H285 M286 L287 K291	H285-N289 PolarHBondContact CD2-ND2 3.49Å; H285-N289 VanDerWaalsContact CD2-ND2 3.28Å; H285-N289 PolarHBondContact CE1-ND2 3.15Å; H285-N289 VanDerWaalsContact CE1-ND2 3.3Å; H285-N289 PolarHBondContact NE2-ND2 2.88Å; H285-N289 PolarHBondContact O-N 2.81Å; H285-N289 PolarHBondContact O-ND2 3.01Å; M286-N289 PolarHBondContact O-N 2.72Å; L287-N289 VanDerWaalsContact C-N 3.31Å; L287-N289 PolarHBondContact O-N 3.45Å; N289-K291 HydrophobicContact CB-CG 4.23Å; N289-K291 PolarHBondContact O-N 3.03Å
290	G	94.4	Very high	95	Very high	18 Å²	18	46 Å²	46	19%	0.186	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	31.4	176.1	0	0	0	0	0	114.5	M286 L287 T292	M286-G290 PolarHBondContact O-N 3.4Å; L287-G290 PolarHBondContact O-N 2.94Å; G290-T292 PolarHBondContact O-N 3.34Å
291	K	94.8	Very high	95.3	Very high	87 Å²	87	40.4 Å²	40.4	38%	0.378	21%	0.208	S	C	.	.			trans	-77.7	77.7	-179.1	-62.6	-165.4	175.3	-169.1	0	112	M286 N289 E293 D294 L295	M286-K291 HydrophobicContact CB-CB 4.27Å; M286-K291 PolarHBondContact O-N 3.03Å; N289-K291 HydrophobicContact CB-CG 4.23Å; N289-K291 PolarHBondContact O-N 3.03Å; K291-E293 PolarHBondContact O-N 3.28Å; K291-D294 HydrophobicContact CB-CB 4.11Å; K291-D294 VanDerWaalsContact CD-OD2 3.31Å; K291-D294 WeakPolarHBondContact CD-OD2 3.45Å; K291-D294 IonicContact NZ-OD2 3.71Å; K291-D294 PolarHBondContact O-N 3.24Å; K291-L295 VanDerWaalsContact O-CG 3.28Å; K291-L295 WeakPolarHBondContact O-CG 3.44Å; K291-L295 PolarHBondContact O-N 3.33Å; K291-L295 VanDerWaalsContact O-N 3.12Å
292	T	94.9	Very high	95.4	Very high	29 Å²	29	39.8 Å²	39.8	18%	0.178	20%	0.203	C	C	.	.	H	α-helix	trans	-68.5	-34.2	-171.4	46.1	0	0	0	0	114.8	G290 L295 A296 F354 E357 S358	G290-T292 PolarHBondContact O-N 3.34Å; T292-L295 PolarHBondContact O-N 3.3Å; T292-A296 WeakPolarHBondContact O-CB 3.46Å; T292-A296 PolarHBondContact O-N 2.88Å; T292-F354 HydrophobicContact CG2-CD1 3.81Å; T292-F354 HydrophobicContact CG2-CE1 3.96Å; T292-E357 HydrophobicContact CG2-CB 4.45Å; T292-E357 WeakPolarHBondContact CG2-OE2 3.48Å; T292-S358 VanDerWaalsContact CA-OG 3.26Å; T292-S358 WeakPolarHBondContact CA-OG 3.43Å; T292-S358 WeakPolarHBondContact CB-OG 3.38Å; T292-S358 PolarHBondContact O-OG 3.39Å
293	E	94.3	Very high	95.6	Very high	159 Å²	159	42.5 Å²	42.5	74%	0.743	22%	0.222	S	C	*	.	H	α-helix	trans	-65.6	-47.3	175.4	-64.5	178.3	-177.4	0	0	111.7	K291 L295 A296 C297	K291-E293 PolarHBondContact O-N 3.28Å; E293-L295 VanDerWaalsContact C-N 3.3Å; E293-L295 PolarHBondContact O-N 3.31Å; E293-A296 WeakPolarHBondContact O-CB 3.18Å; E293-A296 PolarHBondContact O-N 2.72Å; E293-A296 VanDerWaalsContact O-N 3.08Å; E293-C297 PolarHBondContact O-N 2.65Å; E293-C297 PolarHBondContact O-SG 3.46Å
294	D	93.6	Very high	95.5	Very high	26 Å²	26	46.8 Å²	46.8	14%	0.139	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-39.3	177.8	-73.2	-13.2	0	0	0	111.5	S230 M286 K291 A296 C297 M298	S230-D294 PolarHBondContact OG-OD2 2.92Å; M286-D294 HydrophobicContact CE-CB 4.11Å; M286-D294 HydrophobicContact CG-CB 4.34Å; M286-D294 HydrophobicContact SD-CB 3.8Å; K291-D294 HydrophobicContact CB-CB 4.11Å; K291-D294 VanDerWaalsContact CD-OD2 3.31Å; K291-D294 WeakPolarHBondContact CD-OD2 3.45Å; K291-D294 IonicContact NZ-OD2 3.71Å; K291-D294 PolarHBondContact O-N 3.24Å; D294-A296 VanDerWaalsContact C-N 3.33Å; D294-A296 PolarHBondContact O-N 2.99Å; D294-C297 PolarHBondContact O-N 3.45Å; D294-M298 PolarHBondContact O-N 2.92Å
295	L	96.1	Very high	95.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-39.5	173.5	-72.2	170.7	0	0	0	112	L283 M286 L287 K291 T292 E293 M298 Y299 F354 F359	L283-L295 HydrophobicContact CD1-CD2 3.38Å; M286-L295 HydrophobicContact CB-CD2 3.63Å; M286-L295 HydrophobicContact CB-CG 3.87Å; M286-L295 HydrophobicContact SD-CD2 4.18Å; L287-L295 HydrophobicContact CD2-CD1 3.94Å; L287-L295 HydrophobicContact CD2-CD2 4.24Å; L287-L295 HydrophobicContact CG-CD2 4.3Å; K291-L295 VanDerWaalsContact O-CG 3.28Å; K291-L295 WeakPolarHBondContact O-CG 3.44Å; K291-L295 PolarHBondContact O-N 3.33Å; K291-L295 VanDerWaalsContact O-N 3.12Å; T292-L295 PolarHBondContact O-N 3.3Å; E293-L295 VanDerWaalsContact C-N 3.3Å; E293-L295 PolarHBondContact O-N 3.31Å; L295-M298 PolarHBondContact O-N 2.73Å; L295-Y299 WeakPolarHBondContact O-CB 3.45Å; L295-Y299 PolarHBondContact O-N 3.25Å; L295-F354 HydrophobicContact CD1-CD1 3.98Å; L295-F354 HydrophobicContact CD1-CE1 4.21Å; L295-F354 HydrophobicContact CD1-CG 4.34Å; L295-F359 HydrophobicContact CB-CE1 4.12Å; L295-F359 HydrophobicContact CD2-CE1 4.3Å; L295-F359 HydrophobicContact CD2-CZ 4.24Å
296	A	96.1	Very high	95.3	Very high	33 Å²	33	47.6 Å²	47.6	27%	0.273	25%	0.249	S	C	.	.	H	α-helix	trans	-66.8	-41.9	177.4	0	0	0	0	0	111.6	T292 E293 D294 Y299 K300 S358	T292-A296 WeakPolarHBondContact O-CB 3.46Å; T292-A296 PolarHBondContact O-N 2.88Å; E293-A296 WeakPolarHBondContact O-CB 3.18Å; E293-A296 PolarHBondContact O-N 2.72Å; E293-A296 VanDerWaalsContact O-N 3.08Å; D294-A296 VanDerWaalsContact C-N 3.33Å; D294-A296 PolarHBondContact O-N 2.99Å; A296-Y299 PolarHBondContact O-N 3.02Å; A296-K300 WeakPolarHBondContact O-CB 3.4Å; A296-K300 PolarHBondContact O-N 3.45Å; A296-S358 WeakPolarHBondContact CA-O 3.42Å
297	C	94.7	Very high	95.2	Very high	38 Å²	38	52.7 Å²	52.7	26%	0.257	28%	0.276	S	S	.	.	H	α-helix	trans	-61.1	-45.6	173.2	-69.2	0	0	0	0	111.4	I233 E293 D294 Y299 K300 L301	I233-C297 HydrophobicContact CG2-CB 3.93Å; E293-C297 PolarHBondContact O-N 2.65Å; E293-C297 PolarHBondContact O-SG 3.46Å; D294-C297 PolarHBondContact O-N 3.45Å; C297-Y299 PolarHBondContact O-N 2.85Å; C297-K300 PolarHBondContact O-N 2.86Å; C297-L301 WeakPolarHBondContact O-CB 3.5Å; C297-L301 PolarHBondContact O-N 3.42Å
298	M	95.8	Very high	95.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-45.5	176.4	-170	179.3	-78.6	0	0	111.3	A229 I233 I275 V276 L283 M286 D294 L295 K300 L301 F302 M312	A229-M298 HydrophobicContact CB-CE 4.39Å; I233-M298 HydrophobicContact CD1-CB 3.7Å; I233-M298 HydrophobicContact CD1-CE 3.7Å; I233-M298 HydrophobicContact CD1-CG 3.87Å; I275-M298 HydrophobicContact CG2-CE 4.32Å; V276-M298 HydrophobicContact CG2-SD 4.38Å; L283-M298 HydrophobicContact CB-SD 4.12Å; L283-M298 HydrophobicContact CD1-SD 3.97Å; M286-M298 HydrophobicContact CE-CE 3.51Å; M286-M298 HydrophobicContact SD-CE 3.75Å; D294-M298 PolarHBondContact O-N 2.92Å; L295-M298 PolarHBondContact O-N 2.73Å; M298-K300 PolarHBondContact O-N 3.48Å; M298-L301 PolarHBondContact O-N 3.3Å; M298-F302 HydrophobicContact CG-CD2 3.87Å; M298-F302 HydrophobicContact CG-CE2 3.86Å; M298-F302 WeakPolarHBondContact O-CB 3.44Å; M298-F302 VanDerWaalsContact O-CD2 3.23Å; M298-F302 WeakPolarHBondContact O-CD2 3.22Å; M298-F302 PolarHBondContact O-N 3.38Å; M298-M312 HydrophobicContact CB-CE 4.02Å; M298-M312 HydrophobicContact CG-CE 3.64Å; M298-M312 HydrophobicContact CG-SD 3.94Å; M298-M312 HydrophobicContact SD-CE 3.85Å; M298-M312 HydrophobicContact SD-SD 4.48Å
299	Y	96.9	Very high	95.2	Very high	31 Å²	31	49 Å²	49	12%	0.122	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-47.8	176.9	172.1	-96.1	0	0	0	112.2	L295 A296 C297 L301 F302 S303 L309 F359 N360 D362 F365	L295-Y299 WeakPolarHBondContact O-CB 3.45Å; L295-Y299 PolarHBondContact O-N 3.25Å; A296-Y299 PolarHBondContact O-N 3.02Å; C297-Y299 PolarHBondContact O-N 2.85Å; Y299-L301 VanDerWaalsContact C-N 3.32Å; Y299-L301 PolarHBondContact O-N 3.34Å; Y299-F302 PolarHBondContact O-N 3.33Å; Y299-S303 WeakPolarHBondContact O-CB 3.44Å; Y299-S303 PolarHBondContact O-N 2.81Å; Y299-L309 HydrophobicContact CD2-CD2 3.57Å; Y299-L309 HydrophobicContact CE2-CD1 4.05Å; Y299-L309 HydrophobicContact CE2-CD2 3.6Å; Y299-L309 HydrophobicContact CE2-CG 4.47Å; Y299-L309 HydrophobicContact CG-CD2 4.43Å; Y299-F359 HydrophobicContact CD2-CB 4.26Å; Y299-F359 HydrophobicContact CD2-CD1 4.18Å; Y299-F359 HydrophobicContact CE2-CB 4.46Å; Y299-F359 HydrophobicContact CG-CD1 4.36Å; Y299-N360 HydrophobicContact CE1-CB 3.93Å; Y299-D362 HydrophobicContact CE2-CB 4.01Å; Y299-F365 HydrophobicContact CD2-CE2 4.1Å; Y299-F365 HydrophobicContact CD2-CZ 4.41Å; Y299-F365 HydrophobicContact CE2-CE2 4.1Å
300	K	95.4	Very high	95.3	Very high	105 Å²	105	49.5 Å²	49.5	46%	0.457	26%	0.259	S	S	.	.	H	α-helix	trans	-62.8	-37	178.1	-173.9	-171.2	177	-163.6	0	112.3	E237 A296 C297 M298 S303	E237-K300 IonicContact OE1-NZ 2.72Å; E237-K300 PolarHBondContact OE1-NZ 3.45Å; A296-K300 WeakPolarHBondContact O-CB 3.4Å; A296-K300 PolarHBondContact O-N 3.45Å; C297-K300 PolarHBondContact O-N 2.86Å; M298-K300 PolarHBondContact O-N 3.48Å; K300-S303 PolarHBondContact O-OG 2.82Å
301	L	94.9	Very high	95.4	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-70.6	-45.9	178.3	-172.7	71.7	0	0	0	111.1	I233 V236 I240 I268 C297 M298 Y299 S303 R304	I233-L301 HydrophobicContact CB-CD2 4.16Å; I233-L301 HydrophobicContact CG1-CD2 3.83Å; I233-L301 HydrophobicContact CG2-CB 4.24Å; I233-L301 HydrophobicContact CG2-CD2 3.99Å; V236-L301 HydrophobicContact CB-CD1 4.33Å; V236-L301 HydrophobicContact CB-CD2 4.41Å; V236-L301 HydrophobicContact CG1-CD1 3.82Å; V236-L301 HydrophobicContact CG1-CD2 4.4Å; I240-L301 HydrophobicContact CD1-CD1 4.35Å; I268-L301 HydrophobicContact CD1-CD1 3.49Å; I268-L301 VanDerWaalsContact CD1-CD1 3.49Å; I268-L301 HydrophobicContact CD1-CD2 4.44Å; I268-L301 HydrophobicContact CD1-CG 3.77Å; I268-L301 HydrophobicContact CG1-CD1 4.1Å; I268-L301 HydrophobicContact CG1-CD2 4.25Å; I268-L301 HydrophobicContact CG1-CG 4.1Å; I268-L301 HydrophobicContact CG2-CG 4.45Å; C297-L301 WeakPolarHBondContact O-CB 3.5Å; C297-L301 PolarHBondContact O-N 3.42Å; M298-L301 PolarHBondContact O-N 3.3Å; Y299-L301 VanDerWaalsContact C-N 3.32Å; Y299-L301 PolarHBondContact O-N 3.34Å; L301-S303 VanDerWaalsContact C-N 3.31Å; L301-S303 PolarHBondContact O-N 3.12Å; L301-R304 WeakPolarHBondContact O-CB 3.47Å; L301-R304 PolarHBondContact O-N 3.43Å
302	F	96.1	Very high	95.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-75.8	-17.8	-176.5	-82.1	-117.9	0	0	0	113.2	M272 I275 V276 M298 Y299 R304 G308 L309 M312	M272-F302 HydrophobicContact CB-CE1 3.73Å; M272-F302 HydrophobicContact CB-CZ 4.37Å; M272-F302 HydrophobicContact CG-CD1 4.33Å; M272-F302 HydrophobicContact CG-CE1 3.89Å; I275-F302 HydrophobicContact CB-CZ 4.14Å; I275-F302 HydrophobicContact CG2-CE2 4.13Å; I275-F302 HydrophobicContact CG2-CZ 4.09Å; V276-F302 HydrophobicContact CG2-CD1 4.31Å; V276-F302 HydrophobicContact CG2-CE1 3.4Å; V276-F302 HydrophobicContact CG2-CZ 3.55Å; M298-F302 HydrophobicContact CG-CD2 3.87Å; M298-F302 HydrophobicContact CG-CE2 3.86Å; M298-F302 WeakPolarHBondContact O-CB 3.44Å; M298-F302 VanDerWaalsContact O-CD2 3.23Å; M298-F302 WeakPolarHBondContact O-CD2 3.22Å; M298-F302 PolarHBondContact O-N 3.38Å; Y299-F302 PolarHBondContact O-N 3.33Å; F302-R304 PolarHBondContact O-N 3.41Å; F302-G308 WeakPolarHBondContact CD1-O 3.44Å; F302-G308 WeakPolarHBondContact O-CA 3.39Å; F302-L309 HydrophobicContact CB-CD2 4.37Å; F302-M312 HydrophobicContact CB-CG 4.26Å; F302-M312 HydrophobicContact CB-SD 3.5Å; F302-M312 WeakPolarHBondContact CB-SD 3.21Å; F302-M312 HydrophobicContact CD1-CG 3.69Å; F302-M312 HydrophobicContact CD1-SD 4.02Å; F302-M312 HydrophobicContact CD2-SD 4.21Å; F302-M312 HydrophobicContact CE1-CG 4.19Å; F302-M312 HydrophobicContact CG-CG 3.99Å; F302-M312 HydrophobicContact CG-SD 3.65Å
303	S	96.4	Very high	95.6	Very high	60 Å²	60	44.2 Å²	44.2	42%	0.42	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.8	172.4	68.3	0	0	0	0	113.3	Y299 K300 L301 V305	Y299-S303 WeakPolarHBondContact O-CB 3.44Å; Y299-S303 PolarHBondContact O-N 2.81Å; K300-S303 PolarHBondContact O-OG 2.82Å; L301-S303 VanDerWaalsContact C-N 3.31Å; L301-S303 PolarHBondContact O-N 3.12Å; S303-V305 VanDerWaalsContact C-N 3.35Å
304	R	94.8	Very high	95.7	Very high	90 Å²	90	41.6 Å²	41.6	34%	0.34	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-28.6	177.5	-65.6	175.7	167.9	-87.2	1.8	113.3	E264 L301 F302	E264-R304 WeakPolarHBondContact OE1-CB 3.39Å; E264-R304 IonicContact OE1-NH1 2.82Å; E264-R304 PolarHBondContact OE1-NH1 3.44Å; L301-R304 WeakPolarHBondContact O-CB 3.47Å; L301-R304 PolarHBondContact O-N 3.43Å; F302-R304 PolarHBondContact O-N 3.41Å
305	V	95.3	Very high	95.9	Very high	10 Å²	10	41.1 Å²	41.1	6%	0.061	22%	0.217	C	C	.	.	S	Bend	trans	-112	144.4	-172.3	-63.3	0	0	0	0	112.3	E264 I268 S269 M272 S303 N307 G308	E264-V305 HydrophobicContact CB-CG1 3.95Å; I268-V305 HydrophobicContact CB-CG1 4.09Å; I268-V305 HydrophobicContact CD1-CG1 4.3Å; I268-V305 HydrophobicContact CG2-CG1 4.07Å; I268-V305 HydrophobicContact CG2-CG2 3.72Å; S269-V305 WeakPolarHBondContact OG-CG1 3.48Å; M272-V305 HydrophobicContact CG-CG2 4.49Å; M272-V305 HydrophobicContact SD-CG2 3.69Å; S303-V305 VanDerWaalsContact C-N 3.35Å; V305-N307 PolarHBondContact O-N 3.27Å; V305-G308 PolarHBondContact O-N 2.91Å
306	P	93.2	Very high	96	Very high	99 Å²	99	41.1 Å²	41.1	64%	0.643	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	140.9	175	26.3	-33.2	0	0	0	110.4	G308	P306-G308 PolarHBondContact O-N 2.92Å; P306-G308 VanDerWaalsContact O-N 3.16Å
307	N	94.2	Very high	96	Very high	107 Å²	107	40.3 Å²	40.3	57%	0.572	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	2.7	-175.5	-52.9	-60.5	0	0	0	116.3	V305 K310 T311	V305-N307 PolarHBondContact O-N 3.27Å; N307-K310 PolarHBondContact O-N 3.48Å; N307-T311 PolarHBondContact O-N 2.99Å; N307-T311 PolarHBondContact O-OG1 3.46Å
308	G	95.8	Very high	96.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-57.1	177.7	0	0	0	0	0	112.2	M272 F302 V305 P306 K310 T311 M312	M272-G308 VanDerWaalsContact SD-CA 3.56Å; F302-G308 WeakPolarHBondContact CD1-O 3.44Å; F302-G308 WeakPolarHBondContact O-CA 3.39Å; V305-G308 PolarHBondContact O-N 2.91Å; P306-G308 PolarHBondContact O-N 2.92Å; P306-G308 VanDerWaalsContact O-N 3.16Å; G308-K310 PolarHBondContact O-N 2.97Å; G308-T311 WeakPolarHBondContact O-CB 3.25Å; G308-T311 PolarHBondContact O-N 3.32Å; G308-T311 VanDerWaalsContact O-N 3.11Å; G308-M312 PolarHBondContact O-N 3.42Å; G308-M312 VanDerWaalsContact O-N 3.1Å
309	L	96.6	Very high	96.2	Very high	35 Å²	35	42.8 Å²	42.8	18%	0.183	23%	0.226	C	C	.	.	H	α-helix	trans	-59.2	-33.8	177.8	-61.4	-174.1	0	0	0	113	Y299 F302 M312 C313 F365	Y299-L309 HydrophobicContact CD2-CD2 3.57Å; Y299-L309 HydrophobicContact CE2-CD1 4.05Å; Y299-L309 HydrophobicContact CE2-CD2 3.6Å; Y299-L309 HydrophobicContact CE2-CG 4.47Å; Y299-L309 HydrophobicContact CG-CD2 4.43Å; F302-L309 HydrophobicContact CB-CD2 4.37Å; L309-M312 HydrophobicContact CD2-SD 4.49Å; L309-M312 PolarHBondContact O-N 2.99Å; L309-C313 WeakPolarHBondContact O-CB 3.34Å; L309-C313 PolarHBondContact O-N 2.93Å; L309-F365 HydrophobicContact CB-CE2 4.27Å; L309-F365 HydrophobicContact CD2-CE2 4.31Å
310	K	96.4	Very high	96.3	Very high	107 Å²	107	41.3 Å²	41.3	47%	0.465	22%	0.22	S	C	.	.	H	α-helix	trans	-64.3	-46	175.8	-177.8	177.9	172.1	-177	0	111.4	N307 G308 M312 C313 E314	N307-K310 PolarHBondContact O-N 3.48Å; G308-K310 PolarHBondContact O-N 2.97Å; K310-M312 VanDerWaalsContact C-N 3.33Å; K310-M312 PolarHBondContact O-N 3.38Å; K310-C313 WeakPolarHBondContact O-CB 3.17Å; K310-C313 PolarHBondContact O-N 2.91Å; K310-E314 WeakPolarHBondContact CE-OE1 3.35Å; K310-E314 WeakPolarHBondContact O-CG 3.19Å; K310-E314 PolarHBondContact O-N 3.46Å
311	T	96.9	Very high	96.4	Very high	17 Å²	17	40.4 Å²	40.4	10%	0.104	21%	0.214	C	C	.	.	H	α-helix	trans	-60.6	-43.4	177.7	-54.4	0	0	0	0	111.2	M272 K273 N307 G308 E314 C315	M272-T311 HydrophobicContact CB-CG2 4.31Å; K273-T311 HydrophobicContact CG-CG2 3.96Å; N307-T311 PolarHBondContact O-N 2.99Å; N307-T311 PolarHBondContact O-OG1 3.46Å; G308-T311 WeakPolarHBondContact O-CB 3.25Å; G308-T311 PolarHBondContact O-N 3.32Å; G308-T311 VanDerWaalsContact O-N 3.11Å; T311-E314 PolarHBondContact O-N 2.97Å; T311-C315 PolarHBondContact O-N 3.41Å
312	M	96.9	Very high	96.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-46	173.5	-71	-178.8	69.8	0	0	112.1	V276 L283 M298 F302 G308 L309 K310 E314 C315 M316 F359 F365	V276-M312 HydrophobicContact CG2-CG 3.98Å; L283-M312 HydrophobicContact CD1-CE 4.13Å; L283-M312 HydrophobicContact CD2-CB 4.3Å; L283-M312 WeakPolarHBondContact CD2-O 3.27Å; M298-M312 HydrophobicContact CB-CE 4.02Å; M298-M312 HydrophobicContact CG-CE 3.64Å; M298-M312 HydrophobicContact CG-SD 3.94Å; M298-M312 HydrophobicContact SD-CE 3.85Å; M298-M312 HydrophobicContact SD-SD 4.48Å; F302-M312 HydrophobicContact CB-CG 4.26Å; F302-M312 HydrophobicContact CB-SD 3.5Å; F302-M312 WeakPolarHBondContact CB-SD 3.21Å; F302-M312 HydrophobicContact CD1-CG 3.69Å; F302-M312 HydrophobicContact CD1-SD 4.02Å; F302-M312 HydrophobicContact CD2-SD 4.21Å; F302-M312 HydrophobicContact CE1-CG 4.19Å; F302-M312 HydrophobicContact CG-CG 3.99Å; F302-M312 HydrophobicContact CG-SD 3.65Å; G308-M312 PolarHBondContact O-N 3.42Å; G308-M312 VanDerWaalsContact O-N 3.1Å; L309-M312 HydrophobicContact CD2-SD 4.49Å; L309-M312 PolarHBondContact O-N 2.99Å; K310-M312 VanDerWaalsContact C-N 3.33Å; K310-M312 PolarHBondContact O-N 3.38Å; M312-E314 PolarHBondContact O-N 2.89Å; M312-C315 PolarHBondContact O-N 2.93Å; M312-M316 WeakPolarHBondContact O-CB 3.31Å; M312-M316 PolarHBondContact O-N 2.95Å; M312-F359 HydrophobicContact CE-CE1 4.29Å; M312-F365 HydrophobicContact CB-CE1 4.43Å; M312-F365 HydrophobicContact CB-CZ 3.91Å; M312-F365 HydrophobicContact CE-CZ 4.47Å
313	C	96.8	Very high	96.4	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.034	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-41.8	178.5	-87.9	0	0	0	0	112.6	L309 K310 M316 S317 L364 F365	L309-C313 WeakPolarHBondContact O-CB 3.34Å; L309-C313 PolarHBondContact O-N 2.93Å; K310-C313 WeakPolarHBondContact O-CB 3.17Å; K310-C313 PolarHBondContact O-N 2.91Å; C313-M316 PolarHBondContact O-N 3.38Å; C313-S317 WeakPolarHBondContact O-CB 3.32Å; C313-S317 PolarHBondContact O-N 3.4Å; C313-L364 HydrophobicContact CB-CD2 4.27Å; C313-L364 HydrophobicContact CB-CG 4.41Å; C313-F365 VanDerWaalsContact SG-CD1 3.58Å; C313-F365 WeakPolarHBondContact SG-CD2 3.33Å; C313-F365 WeakPolarHBondContact SG-CE2 3.42Å; C313-F365 WeakPolarHBondContact SG-CG 3.17Å; C313-F365 VanDerWaalsContact SG-CZ 3.56Å
314	E	97.1	Very high	96.3	Very high	104 Å²	104	46 Å²	46	49%	0.486	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-45.2	178.7	-74	171.9	179.7	0	0	111.5	K310 T311 M312 S317 S318	K310-E314 WeakPolarHBondContact CE-OE1 3.35Å; K310-E314 WeakPolarHBondContact O-CG 3.19Å; K310-E314 PolarHBondContact O-N 3.46Å; T311-E314 PolarHBondContact O-N 2.97Å; M312-E314 PolarHBondContact O-N 2.89Å; E314-S317 PolarHBondContact O-N 3.36Å; E314-S318 PolarHBondContact O-N 3.5Å
315	C	97.3	Very high	96.3	Very high	16 Å²	16	45.8 Å²	45.8	11%	0.108	24%	0.235	C	C	.	.	H	α-helix	trans	-65.7	-44.5	176.2	178.1	0	0	0	0	112.1	V276 L283 T311 M312 S317 S318 Y319	V276-C315 HydrophobicContact CG1-CB 3.34Å; V276-C315 VanDerWaalsContact CG1-SG 3.55Å; L283-C315 HydrophobicContact CD2-CB 3.93Å; T311-C315 PolarHBondContact O-N 3.41Å; M312-C315 PolarHBondContact O-N 2.93Å; C315-S317 VanDerWaalsContact C-N 3.31Å; C315-S317 PolarHBondContact O-N 2.87Å; C315-S318 PolarHBondContact O-N 2.88Å; C315-Y319 PolarHBondContact O-N 2.99Å; C315-Y319 VanDerWaalsContact O-N 3.12Å
316	M	97.8	Very high	96.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.4	-44.5	173.9	-179.1	-168.8	66	0	0	111.4	L283 L287 M312 C313 Y319 L320 F351 F359 F365 T368 I369	L283-M316 HydrophobicContact CD2-CB 4.2Å; L287-M316 HydrophobicContact CD1-CB 4.38Å; L287-M316 HydrophobicContact CD1-CG 4.08Å; M312-M316 WeakPolarHBondContact O-CB 3.31Å; M312-M316 PolarHBondContact O-N 2.95Å; C313-M316 PolarHBondContact O-N 3.38Å; M316-Y319 PolarHBondContact O-N 2.96Å; M316-L320 WeakPolarHBondContact O-CB 3.46Å; M316-L320 PolarHBondContact O-N 2.71Å; M316-F351 HydrophobicContact CG-CD1 4.43Å; M316-F351 HydrophobicContact CG-CE1 3.74Å; M316-F351 HydrophobicContact SD-CD1 4.2Å; M316-F351 HydrophobicContact SD-CE1 4.1Å; M316-F359 HydrophobicContact SD-CE2 3.85Å; M316-F365 HydrophobicContact CE-CB 4.47Å; M316-F365 HydrophobicContact CE-CD1 3.6Å; M316-F365 HydrophobicContact CE-CE1 4.29Å; M316-F365 HydrophobicContact CE-CG 4.4Å; M316-F365 HydrophobicContact SD-CD1 3.68Å; M316-F365 HydrophobicContact SD-CE1 4.14Å; M316-T368 HydrophobicContact CE-CG2 4.11Å; M316-I369 HydrophobicContact CE-CD1 4.28Å; M316-I369 HydrophobicContact CE-CG1 3.78Å; M316-I369 HydrophobicContact SD-CD1 4.35Å; M316-I369 HydrophobicContact SD-CG1 4.26Å
317	S	97.9	Very high	96	Very high	17 Å²	17	46.5 Å²	46.5	12%	0.119	24%	0.242	C	C	.	.	H	α-helix	trans	-63.2	-44.9	-179.2	-177.3	0	0	0	0	111.6	C313 E314 C315 Y319 L320 R321 D372	C313-S317 WeakPolarHBondContact O-CB 3.32Å; C313-S317 PolarHBondContact O-N 3.4Å; E314-S317 PolarHBondContact O-N 3.36Å; C315-S317 VanDerWaalsContact C-N 3.31Å; C315-S317 PolarHBondContact O-N 2.87Å; S317-Y319 VanDerWaalsContact C-N 3.34Å; S317-Y319 PolarHBondContact O-N 3.49Å; S317-L320 PolarHBondContact O-N 2.88Å; S317-R321 WeakPolarHBondContact O-CB 3.31Å; S317-R321 VanDerWaalsContact O-CG 3.27Å; S317-R321 WeakPolarHBondContact O-CG 3.44Å; S317-R321 PolarHBondContact O-N 3.22Å; S317-D372 WeakPolarHBondContact CA-OD2 3.24Å; S317-D372 WeakPolarHBondContact CB-OD2 3.37Å; S317-D372 PolarHBondContact OG-OD1 3.07Å; S317-D372 PolarHBondContact OG-OD2 3.38Å
318	S	97.6	Very high	95.8	Very high	81 Å²	81	41.5 Å²	41.5	57%	0.566	22%	0.215	S	C	*	.	H	α-helix	trans	-56	-49.9	175	-172.3	0	0	0	0	111.3	E314 C315 R321 E322	E314-S318 PolarHBondContact O-N 3.5Å; C315-S318 PolarHBondContact O-N 2.88Å; S318-R321 PolarHBondContact O-N 3.49Å; S318-E322 PolarHBondContact O-N 3.27Å
319	Y	97.2	Very high	95.2	Very high	8 Å²	8	44 Å²	44	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-64.4	-45	178.1	172.3	-111.1	0	0	0	112.9	V284 L287 K288 C315 M316 S317 R321 E322 Q323 F351	V284-Y319 HydrophobicContact CG1-CD2 3.66Å; V284-Y319 HydrophobicContact CG1-CE2 4.01Å; V284-Y319 HydrophobicContact CG1-CG 4.09Å; V284-Y319 HydrophobicContact CG2-CG 4.39Å; L287-Y319 HydrophobicContact CB-CD1 4.19Å; L287-Y319 HydrophobicContact CB-CE1 3.87Å; L287-Y319 HydrophobicContact CD1-CD1 3.79Å; L287-Y319 HydrophobicContact CD1-CE1 4.31Å; K288-Y319 HydrophobicContact CD-CE2 4.31Å; K288-Y319 VanDerWaalsContact CE-CE2 3.46Å; K288-Y319 HydrophobicContact CG-CE2 3.87Å; K288-Y319 VanDerWaalsContact CG-OH 3.24Å; K288-Y319 WeakPolarHBondContact CG-OH 3.31Å; C315-Y319 PolarHBondContact O-N 2.99Å; C315-Y319 VanDerWaalsContact O-N 3.12Å; M316-Y319 PolarHBondContact O-N 2.96Å; S317-Y319 VanDerWaalsContact C-N 3.34Å; S317-Y319 PolarHBondContact O-N 3.49Å; Y319-R321 VanDerWaalsContact C-N 3.34Å; Y319-R321 PolarHBondContact O-N 3.12Å; Y319-E322 PolarHBondContact O-N 3.36Å; Y319-Q323 HydrophobicContact CD2-CG 4.06Å; Y319-Q323 HydrophobicContact CE1-CG 4.12Å; Y319-Q323 HydrophobicContact CE2-CG 3.53Å; Y319-Q323 WeakPolarHBondContact O-CG 3.47Å; Y319-Q323 PolarHBondContact O-N 2.74Å; Y319-F351 AromaticContact CD1-CZ 4Å; Y319-F351 HydrophobicContact CD1-CZ 4Å; Y319-F351 HydrophobicContact CE1-CZ 4.02Å
320	L	98	Very high	93.7	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.8	-41.3	178.6	175.4	56.6	0	0	0	111.4	M316 S317 Q323 G324 L347 F351 I369 D372 F373 F376	M316-L320 WeakPolarHBondContact O-CB 3.46Å; M316-L320 PolarHBondContact O-N 2.71Å; S317-L320 PolarHBondContact O-N 2.88Å; L320-Q323 PolarHBondContact O-N 2.71Å; L320-G324 PolarHBondContact O-N 2.68Å; L320-L347 HydrophobicContact CD1-CD1 4.32Å; L320-L347 HydrophobicContact CD1-CD2 3.99Å; L320-L347 HydrophobicContact CD1-CG 4.13Å; L320-F351 HydrophobicContact CB-CE1 3.88Å; L320-F351 HydrophobicContact CB-CZ 3.82Å; L320-F351 HydrophobicContact CD1-CD1 4.31Å; L320-F351 HydrophobicContact CD1-CD2 3.84Å; L320-F351 HydrophobicContact CD1-CE1 4.1Å; L320-F351 HydrophobicContact CD1-CE2 3.62Å; L320-F351 HydrophobicContact CD1-CG 4.17Å; L320-F351 HydrophobicContact CD1-CZ 3.75Å; L320-F351 HydrophobicContact CD2-CD1 4.03Å; L320-F351 HydrophobicContact CD2-CE1 4.07Å; L320-F351 HydrophobicContact CD2-CG 4.44Å; L320-F351 HydrophobicContact CG-CE1 4.23Å; L320-F351 HydrophobicContact CG-CZ 4.22Å; L320-I369 HydrophobicContact CD2-CB 4.33Å; L320-I369 HydrophobicContact CD2-CG1 4.19Å; L320-I369 HydrophobicContact CD2-CG2 4.2Å; L320-D372 HydrophobicContact CD2-CB 3.76Å; L320-D372 HydrophobicContact CG-CB 4.05Å; L320-F373 HydrophobicContact CD1-CE2 3.97Å; L320-F373 HydrophobicContact CD2-CD2 4.35Å; L320-F373 HydrophobicContact CD2-CE2 4.24Å; L320-F376 HydrophobicContact CD1-CE1 4.19Å; L320-F376 HydrophobicContact CG-CE1 4.18Å
321	R	97.3	Very high	91.5	Very high	86 Å²	86	51.3 Å²	51.3	33%	0.325	27%	0.267	S	S	.	.	H	α-helix	trans	-64.2	-39.8	175.2	-74.3	-179.9	-176.3	-139.9	-6.5	112.1	S317 S318 Y319 K325 D372 Y375	S317-R321 WeakPolarHBondContact O-CB 3.31Å; S317-R321 VanDerWaalsContact O-CG 3.27Å; S317-R321 WeakPolarHBondContact O-CG 3.44Å; S317-R321 PolarHBondContact O-N 3.22Å; S318-R321 PolarHBondContact O-N 3.49Å; Y319-R321 VanDerWaalsContact C-N 3.34Å; Y319-R321 PolarHBondContact O-N 3.12Å; R321-K325 VanDerWaalsContact O-CB 3.25Å; R321-K325 WeakPolarHBondContact O-CB 3.43Å; R321-K325 WeakPolarHBondContact O-CG 3.42Å; R321-K325 PolarHBondContact O-N 3.39Å; R321-D372 HydrophobicContact CG-CB 4.13Å; R321-D372 IonicContact CZ-OD1 3.72Å; R321-D372 VanDerWaalsContact CZ-OD1 3.25Å; R321-D372 IonicContact NE-OD1 3.93Å; R321-D372 PolarHBondContact NE-OD1 3.47Å; R321-D372 IonicContact NH2-OD1 2.75Å; R321-D372 PolarHBondContact NH2-OD1 3.47Å; R321-Y375 HydrophobicContact CG-CD1 4.17Å
322	E	95.8	Very high	89.1	Confident	121 Å²	121	52.8 Å²	52.8	57%	0.565	29%	0.286	S	S	*	.	H	α-helix	trans	-62.3	-50.3	175.9	-172.2	-175.5	173.5	0	0	111.2	S318 Y319 G324 K325 A326	S318-E322 PolarHBondContact O-N 3.27Å; Y319-E322 PolarHBondContact O-N 3.36Å; E322-G324 PolarHBondContact O-N 2.81Å; E322-K325 PolarHBondContact O-N 3.2Å; E322-A326 PolarHBondContact O-N 3.09Å
323	Q	95.7	Very high	86.6	Confident	64 Å²	64	62.9 Å²	62.9	30%	0.299	33%	0.333	S	S	.	.	H	α-helix	trans	-61.3	-44.4	177.1	-67	-64.7	111.8	0	0	112	Y319 L320 A326 L327 L347	Y319-Q323 HydrophobicContact CD2-CG 4.06Å; Y319-Q323 HydrophobicContact CE1-CG 4.12Å; Y319-Q323 HydrophobicContact CE2-CG 3.53Å; Y319-Q323 WeakPolarHBondContact O-CG 3.47Å; Y319-Q323 PolarHBondContact O-N 2.74Å; L320-Q323 PolarHBondContact O-N 2.71Å; Q323-A326 PolarHBondContact O-N 2.77Å; Q323-L327 PolarHBondContact O-N 3.08Å; Q323-L347 HydrophobicContact CB-CD1 4.41Å; Q323-L347 HydrophobicContact CB-CD2 4.36Å
324	G	94.9	Very high	84.7	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-62.5	-45.1	177.1	0	0	0	0	0	112	L320 E322 A326 L327 V328	L320-G324 PolarHBondContact O-N 2.68Å; E322-G324 PolarHBondContact O-N 2.81Å; G324-A326 PolarHBondContact O-N 3.34Å; G324-L327 PolarHBondContact O-N 3Å; G324-V328 WeakPolarHBondContact O-CG1 3.18Å; G324-V328 WeakPolarHBondContact O-CG2 2.84Å; G324-V328 PolarHBondContact O-N 2.88Å
325	K	93.8	Very high	83.2	Confident	84 Å²	84	65 Å²	65	37%	0.365	36%	0.361	S	S	.	.	H	α-helix	trans	-56.4	-48.2	173.4	-79.6	174.9	-174.2	-176.3	0	111.5	R321 E322 L327 V328 S329 L379	R321-K325 VanDerWaalsContact O-CB 3.25Å; R321-K325 WeakPolarHBondContact O-CB 3.43Å; R321-K325 WeakPolarHBondContact O-CG 3.42Å; R321-K325 PolarHBondContact O-N 3.39Å; E322-K325 PolarHBondContact O-N 3.2Å; K325-L327 VanDerWaalsContact C-N 3.25Å; K325-L327 PolarHBondContact O-N 3.12Å; K325-V328 WeakPolarHBondContact O-CG2 3.46Å; K325-V328 PolarHBondContact O-N 2.88Å; K325-V328 VanDerWaalsContact O-N 3.12Å; K325-S329 VanDerWaalsContact O-CB 3.31Å; K325-S329 WeakPolarHBondContact O-CB 3.46Å; K325-S329 PolarHBondContact O-N 3.48Å; K325-S329 PolarHBondContact O-OG 3.25Å; K325-L379 HydrophobicContact CD-CD1 4.49Å; K325-L379 HydrophobicContact CG-CD1 3.73Å
326	A	91.9	Very high	82.5	Confident	66 Å²	66	67.1 Å²	67.1	55%	0.545	37%	0.372	S	S	.	.	H	α-helix	trans	-58.5	-37.2	179.5	0	0	0	0	0	112.7	E322 Q323 G324 K335	E322-A326 PolarHBondContact O-N 3.09Å; Q323-A326 PolarHBondContact O-N 2.77Å; G324-A326 PolarHBondContact O-N 3.34Å; A326-K335 PolarHBondContact O-NZ 3.11Å
327	L	90.9	Very high	81.9	Confident	58 Å²	58	67.9 Å²	67.9	30%	0.304	38%	0.377	S	S	.	.	H	α-helix	trans	-67.3	-46.1	174.8	-69.3	173.5	0	0	0	111.8	Q323 G324 K325 K335 L344 L347	Q323-L327 PolarHBondContact O-N 3.08Å; G324-L327 PolarHBondContact O-N 3Å; K325-L327 VanDerWaalsContact C-N 3.25Å; K325-L327 PolarHBondContact O-N 3.12Å; L327-K335 PolarHBondContact O-NZ 3.48Å; L327-L344 HydrophobicContact CB-CD2 4.26Å; L327-L344 HydrophobicContact CD1-CD2 4.05Å; L327-L347 HydrophobicContact CD1-CB 4.15Å; L327-L347 HydrophobicContact CD1-CD2 3.7Å
328	V	90.1	Very high	81.4	Confident	3 Å²	3	68.5 Å²	68.5	2%	0.018	38%	0.38	C	S	.	.	H	α-helix	trans	-84.3	-20.2	-172.6	-54.1	0	0	0	0	114.9	G324 K325 Y340 L344 F376 L379 N380	G324-V328 WeakPolarHBondContact O-CG1 3.18Å; G324-V328 WeakPolarHBondContact O-CG2 2.84Å; G324-V328 PolarHBondContact O-N 2.88Å; K325-V328 WeakPolarHBondContact O-CG2 3.46Å; K325-V328 PolarHBondContact O-N 2.88Å; K325-V328 VanDerWaalsContact O-N 3.12Å; V328-Y340 HydrophobicContact CB-CE2 4.24Å; V328-Y340 WeakPolarHBondContact CB-OH 3.36Å; V328-Y340 HydrophobicContact CG1-CE2 4.35Å; V328-Y340 VanDerWaalsContact CG1-OH 3.29Å; V328-Y340 WeakPolarHBondContact CG1-OH 3.48Å; V328-L344 HydrophobicContact CG1-CD2 4.13Å; V328-F376 HydrophobicContact CG1-CD2 4.1Å; V328-F376 HydrophobicContact CG2-CB 4.34Å; V328-F376 WeakPolarHBondContact CG2-O 3.41Å; V328-L379 HydrophobicContact CG2-CB 4.31Å; V328-N380 HydrophobicContact CB-CB 4.23Å; V328-N380 PolarHBondContact O-ND2 3.21Å
329	S	83.2	Confident	80.9	Confident	52 Å²	52	69.6 Å²	69.6	36%	0.364	38%	0.379	S	S	.	.	S	Bend	trans	-62.7	140.3	-178.5	-74.2	0	0	0	0	112.4	K325 E331 K335	K325-S329 VanDerWaalsContact O-CB 3.31Å; K325-S329 WeakPolarHBondContact O-CB 3.46Å; K325-S329 PolarHBondContact O-N 3.48Å; K325-S329 PolarHBondContact O-OG 3.25Å; S329-E331 PolarHBondContact O-N 2.88Å; S329-K335 PolarHBondContact O-NZ 3.27Å
330	E	64.6	Low	80.6	Confident	118 Å²	118	69.8 Å²	69.8	55%	0.551	38%	0.38	S	S	*	.			trans	-79	39.7	179.1	-65	-164.6	148	0	0	113.2	G332 R382	E330-G332 VanDerWaalsContact C-N 3.29Å; E330-G332 PolarHBondContact O-N 3.43Å; E330-R382 IonicContact OE1-CZ 2.64Å; E330-R382 IonicContact OE1-NE 3.5Å; E330-R382 PolarHBondContact OE1-NE 3.43Å; E330-R382 IonicContact OE1-NH2 2.64Å
331	E	49.2	Very low	80.4	Confident	178 Å²	178	69.9 Å²	69.9	83%	0.832	38%	0.38	S	S	*	.			trans	-82.4	82.6	169.4	-70.4	-172.5	172.9	0	0	109.1	S329	S329-E331 PolarHBondContact O-N 2.88Å
332	G	48	Very low	80.2	Confident	48 Å²	48	68.9 Å²	68.9	50%	0.495	38%	0.38	S	S	.	.	S	Bend	trans	136.2	113.1	170.3	0	0	0	0	0	113.5	E330 G334	E330-G332 VanDerWaalsContact C-N 3.29Å; E330-G332 PolarHBondContact O-N 3.43Å; G332-G334 PolarHBondContact O-N 2.74Å; G332-G334 VanDerWaalsContact O-N 3.09Å
333	E	44.6	Very low	80.1	Confident	212 Å²	212	64 Å²	64	99%	0.991	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	114.1	163.1	-72.4	-173.9	159.3	0	0	109.2
334	G	56	Low	80.1	Confident	75 Å²	75	61 Å²	61	77%	0.773	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.7	20.1	171.3	0	0	0	0	0	117.7	G332 N336	G332-G334 PolarHBondContact O-N 2.74Å; G332-G334 VanDerWaalsContact O-N 3.09Å; G334-N336 PolarHBondContact O-N 3.26Å; G334-N336 VanDerWaalsContact O-N 3.14Å
335	K	66.3	Low	80.2	Confident	77 Å²	77	61.3 Å²	61.3	34%	0.335	35%	0.35	S	S	.	.			trans	-56.1	122	166.5	-80.1	-174.4	177.4	174.3	0	110	A326 L327 S329 P337	A326-K335 PolarHBondContact O-NZ 3.11Å; L327-K335 PolarHBondContact O-NZ 3.48Å; S329-K335 PolarHBondContact O-NZ 3.27Å; K335-P337 WeakPolarHBondContact O-CD 3.33Å
336	N	82.3	Confident	80.3	Confident	61 Å²	61	61.6 Å²	61.6	33%	0.326	36%	0.355	S	S	.	.			trans	-62.8	124.1	176.2	176.5	-3.4	0	0	0	109.3	G334 V338 D339 Y340	G334-N336 PolarHBondContact O-N 3.26Å; G334-N336 VanDerWaalsContact O-N 3.14Å; N336-V338 PolarHBondContact O-N 2.94Å; N336-V338 VanDerWaalsContact O-N 3.1Å; N336-V338 WeakPolarHBondContact OD1-CB 3.26Å; N336-V338 PolarHBondContact OD1-N 3.32Å; N336-D339 HydrophobicContact CB-CB 4.19Å; N336-D339 WeakPolarHBondContact CB-OD2 3.49Å; N336-D339 PolarHBondContact ND2-OD2 2.79Å; N336-D339 PolarHBondContact O-N 3.43Å; N336-D339 VanDerWaalsContact O-N 3.13Å; N336-Y340 PolarHBondContact O-N 3.41Å
337	P	85.6	Confident	80.5	Confident	17 Å²	17	59.1 Å²	59.1	11%	0.11	33%	0.332	C	S	.	.	H	α-helix	trans	-52.8	-32.5	177.9	-27.9	34.9	0	0	0	113.6	K335 I341 Y386 L389	K335-P337 WeakPolarHBondContact O-CD 3.33Å; P337-I341 WeakPolarHBondContact O-CG1 3.21Å; P337-I341 PolarHBondContact O-N 3.44Å; P337-Y386 HydrophobicContact CB-CD1 3.76Å; P337-Y386 HydrophobicContact CB-CE1 4.36Å; P337-Y386 HydrophobicContact CB-CG 3.99Å; P337-Y386 HydrophobicContact CG-CD1 3.72Å; P337-Y386 HydrophobicContact CG-CE1 3.87Å; P337-Y386 HydrophobicContact CG-CG 4.39Å; P337-L389 HydrophobicContact CB-CB 3.95Å; P337-L389 HydrophobicContact CB-CD1 4.08Å; P337-L389 HydrophobicContact CG-CB 4.44Å; P337-L389 HydrophobicContact CG-CD1 3.71Å
338	V	86.1	Confident	80.8	Confident	29 Å²	29	57.6 Å²	57.6	18%	0.176	32%	0.323	C	S	.	.	H	α-helix	trans	-69.2	-48	-179.8	-180	0	0	0	0	111.1	N336 Y340 I341 Q342 F390 D393	N336-V338 PolarHBondContact O-N 2.94Å; N336-V338 VanDerWaalsContact O-N 3.1Å; N336-V338 WeakPolarHBondContact OD1-CB 3.26Å; N336-V338 PolarHBondContact OD1-N 3.32Å; V338-Y340 VanDerWaalsContact C-N 3.32Å; V338-Y340 PolarHBondContact O-N 3.03Å; V338-I341 PolarHBondContact O-N 2.88Å; V338-Q342 VanDerWaalsContact O-CB 3.3Å; V338-Q342 WeakPolarHBondContact O-CB 3.42Å; V338-Q342 PolarHBondContact O-N 3.12Å; V338-F390 HydrophobicContact CB-CD2 4.46Å; V338-F390 HydrophobicContact CG1-CD2 4.05Å; V338-F390 HydrophobicContact CG1-CE2 4.25Å; V338-D393 HydrophobicContact CG2-CB 4.21Å
339	D	87.6	Confident	81.1	Confident	105 Å²	105	59.9 Å²	59.9	56%	0.561	34%	0.339	S	S	*	.	H	α-helix	trans	-68.2	-35	-178.8	-59.2	-32.4	0	0	0	111.2	N336 Q342 G343	N336-D339 HydrophobicContact CB-CB 4.19Å; N336-D339 WeakPolarHBondContact CB-OD2 3.49Å; N336-D339 PolarHBondContact ND2-OD2 2.79Å; N336-D339 PolarHBondContact O-N 3.43Å; N336-D339 VanDerWaalsContact O-N 3.13Å; D339-Q342 PolarHBondContact O-N 3.04Å; D339-G343 PolarHBondContact O-N 3.44Å
340	Y	91.6	Very high	81.7	Confident	12 Å²	12	61 Å²	61	5%	0.047	34%	0.336	C	S	.	.	H	α-helix	trans	-57.6	-54.1	173.6	178.7	-83	0	0	0	111.9	V328 N336 V338 G343 L344 S383 Y386	V328-Y340 HydrophobicContact CB-CE2 4.24Å; V328-Y340 WeakPolarHBondContact CB-OH 3.36Å; V328-Y340 HydrophobicContact CG1-CE2 4.35Å; V328-Y340 VanDerWaalsContact CG1-OH 3.29Å; V328-Y340 WeakPolarHBondContact CG1-OH 3.48Å; N336-Y340 PolarHBondContact O-N 3.41Å; V338-Y340 VanDerWaalsContact C-N 3.32Å; V338-Y340 PolarHBondContact O-N 3.03Å; Y340-G343 PolarHBondContact O-N 3.06Å; Y340-L344 HydrophobicContact CD1-CD1 4.03Å; Y340-L344 HydrophobicContact CE1-CD1 3.54Å; Y340-L344 PolarHBondContact O-N 3.18Å; Y340-S383 PolarHBondContact OH-OG 3.37Å; Y340-Y386 AromaticContact CD1-CD2 3.79Å; Y340-Y386 HydrophobicContact CD1-CD2 3.79Å; Y340-Y386 HydrophobicContact CD1-CG 4.49Å; Y340-Y386 AromaticContact CD2-CD2 3.93Å; Y340-Y386 HydrophobicContact CD2-CD2 3.93Å; Y340-Y386 HydrophobicContact CD2-CE2 4.15Å; Y340-Y386 HydrophobicContact CE1-CD2 4.09Å; Y340-Y386 HydrophobicContact CE2-CD2 4.18Å; Y340-Y386 HydrophobicContact CE2-CE2 4.41Å; Y340-Y386 AromaticContact CG-CD2 3.72Å; Y340-Y386 HydrophobicContact CG-CD2 3.72Å; Y340-Y386 HydrophobicContact CG-CE2 4.32Å
341	I	94.1	Very high	83.3	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-69.6	-38.8	-178.5	-63.8	-65.5	0	0	0	110.4	P337 V338 G343 L344 L345 L387 F390 L417	P337-I341 WeakPolarHBondContact O-CG1 3.21Å; P337-I341 PolarHBondContact O-N 3.44Å; V338-I341 PolarHBondContact O-N 2.88Å; I341-G343 PolarHBondContact O-N 2.8Å; I341-L344 WeakPolarHBondContact O-CB 3.42Å; I341-L344 PolarHBondContact O-N 3.47Å; I341-L345 HydrophobicContact CG2-CD1 4.21Å; I341-L345 HydrophobicContact CG2-CG 4.31Å; I341-L345 WeakPolarHBondContact O-CG 3.21Å; I341-L345 PolarHBondContact O-N 3.36Å; I341-L387 HydrophobicContact CD1-CB 3.93Å; I341-L387 HydrophobicContact CD1-CD1 4.11Å; I341-L387 HydrophobicContact CG2-CD1 4.11Å; I341-F390 HydrophobicContact CB-CB 3.98Å; I341-F390 HydrophobicContact CB-CD1 4.46Å; I341-F390 HydrophobicContact CB-CD2 3.81Å; I341-F390 HydrophobicContact CB-CE2 4.4Å; I341-F390 HydrophobicContact CB-CG 3.84Å; I341-F390 HydrophobicContact CG1-CB 3.91Å; I341-F390 HydrophobicContact CG1-CG 4.33Å; I341-F390 HydrophobicContact CG2-CB 4.07Å; I341-F390 HydrophobicContact CG2-CD1 3.72Å; I341-F390 HydrophobicContact CG2-CD2 3.83Å; I341-F390 HydrophobicContact CG2-CE1 4.05Å; I341-F390 HydrophobicContact CG2-CE2 4.14Å; I341-F390 HydrophobicContact CG2-CG 3.6Å; I341-F390 HydrophobicContact CG2-CZ 4.25Å; I341-L417 HydrophobicContact CG2-CD1 4.04Å
342	Q	92.6	Very high	85.5	Confident	66 Å²	66	49.9 Å²	49.9	31%	0.308	29%	0.285	S	S	.	.	H	α-helix	trans	-60.3	-45.1	177.1	-170	60.6	53.7	0	0	111.7	V338 D339 L344 L345 D346	V338-Q342 VanDerWaalsContact O-CB 3.3Å; V338-Q342 WeakPolarHBondContact O-CB 3.42Å; V338-Q342 PolarHBondContact O-N 3.12Å; D339-Q342 PolarHBondContact O-N 3.04Å; Q342-L344 VanDerWaalsContact C-N 3.28Å; Q342-L344 PolarHBondContact O-N 3.47Å; Q342-L345 WeakPolarHBondContact O-CB 3.39Å; Q342-L345 PolarHBondContact O-N 2.84Å; Q342-L345 VanDerWaalsContact O-N 3.1Å; Q342-D346 PolarHBondContact NE2-OD1 2.73Å; Q342-D346 PolarHBondContact O-N 3.27Å
343	G	94.1	Very high	87.8	Confident	19 Å²	19	51.9 Å²	51.9	20%	0.196	28%	0.278	C	S	.	.	H	α-helix	trans	-59.7	-36.8	176.3	0	0	0	0	0	113.4	D339 Y340 I341 L347	D339-G343 PolarHBondContact O-N 3.44Å; Y340-G343 PolarHBondContact O-N 3.06Å; I341-G343 PolarHBondContact O-N 2.8Å; G343-L347 WeakPolarHBondContact O-CB 3.31Å; G343-L347 PolarHBondContact O-N 3.23Å
344	L	95.8	Very high	90.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.2	-39.9	173.9	-69.8	176.3	0	0	0	112.6	L327 V328 Y340 I341 Q342 K348 F376 L377 L417	L327-L344 HydrophobicContact CB-CD2 4.26Å; L327-L344 HydrophobicContact CD1-CD2 4.05Å; V328-L344 HydrophobicContact CG1-CD2 4.13Å; Y340-L344 HydrophobicContact CD1-CD1 4.03Å; Y340-L344 HydrophobicContact CE1-CD1 3.54Å; Y340-L344 PolarHBondContact O-N 3.18Å; I341-L344 WeakPolarHBondContact O-CB 3.42Å; I341-L344 PolarHBondContact O-N 3.47Å; Q342-L344 VanDerWaalsContact C-N 3.28Å; Q342-L344 PolarHBondContact O-N 3.47Å; L344-K348 WeakPolarHBondContact O-CB 3.47Å; L344-K348 PolarHBondContact O-N 3.08Å; L344-F376 HydrophobicContact CD2-CD2 4.24Å; L344-F376 HydrophobicContact CD2-CE2 3.73Å; L344-L377 HydrophobicContact CD1-CD1 3.75Å; L344-L417 HydrophobicContact CB-CD1 3.93Å; L344-L417 HydrophobicContact CB-CD2 4.36Å
345	L	95.5	Very high	92.3	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.037	20%	0.197	C	C	.	.	H	α-helix	trans	-66	-39.3	176	-69.1	-179.1	0	0	0	112.1	I341 Q342 K348 S349 F390 K413 L417	I341-L345 HydrophobicContact CG2-CD1 4.21Å; I341-L345 HydrophobicContact CG2-CG 4.31Å; I341-L345 WeakPolarHBondContact O-CG 3.21Å; I341-L345 PolarHBondContact O-N 3.36Å; Q342-L345 WeakPolarHBondContact O-CB 3.39Å; Q342-L345 PolarHBondContact O-N 2.84Å; Q342-L345 VanDerWaalsContact O-N 3.1Å; L345-K348 PolarHBondContact O-N 3.09Å; L345-S349 WeakPolarHBondContact O-CB 3.43Å; L345-S349 PolarHBondContact O-N 3.27Å; L345-S349 PolarHBondContact O-OG 3.01Å; L345-F390 HydrophobicContact CD1-CE1 4.12Å; L345-F390 HydrophobicContact CD1-CZ 3.86Å; L345-K413 HydrophobicContact CD1-CB 4.43Å; L345-K413 HydrophobicContact CD2-CB 3.93Å; L345-K413 WeakPolarHBondContact CD2-O 3.5Å; L345-L417 HydrophobicContact CD2-CD1 3.47Å; L345-L417 VanDerWaalsContact CD2-CD1 3.47Å; L345-L417 HydrophobicContact CD2-CD2 4.5Å; L345-L417 HydrophobicContact CD2-CG 3.72Å; L345-L417 HydrophobicContact CG-CD1 3.88Å
346	D	95.5	Very high	93.8	Very high	89 Å²	89	41.3 Å²	41.3	48%	0.476	21%	0.21	S	C	.	.	H	α-helix	trans	-68.7	-43.2	178	-64.5	-17.7	0	0	0	110.7	Q342 K348 S349 R350	Q342-D346 PolarHBondContact NE2-OD1 2.73Å; Q342-D346 PolarHBondContact O-N 3.27Å; D346-K348 VanDerWaalsContact C-N 3.31Å; D346-K348 PolarHBondContact O-N 2.66Å; D346-S349 PolarHBondContact O-N 3.49Å; D346-R350 WeakPolarHBondContact O-CB 3.35Å; D346-R350 PolarHBondContact O-N 3.08Å
347	L	96.9	Very high	94.5	Very high	14 Å²	14	43.3 Å²	43.3	7%	0.073	22%	0.217	C	C	.	.	H	α-helix	trans	-59.6	-43	173.2	-175.4	62.3	0	0	0	111.2	L320 Q323 L327 G343 R350 F351 F373 F376	L320-L347 HydrophobicContact CD1-CD1 4.32Å; L320-L347 HydrophobicContact CD1-CD2 3.99Å; L320-L347 HydrophobicContact CD1-CG 4.13Å; Q323-L347 HydrophobicContact CB-CD1 4.41Å; Q323-L347 HydrophobicContact CB-CD2 4.36Å; L327-L347 HydrophobicContact CD1-CB 4.15Å; L327-L347 HydrophobicContact CD1-CD2 3.7Å; G343-L347 WeakPolarHBondContact O-CB 3.31Å; G343-L347 PolarHBondContact O-N 3.23Å; L347-R350 PolarHBondContact O-N 3.01Å; L347-F351 HydrophobicContact CD1-CD2 3.87Å; L347-F351 HydrophobicContact CD1-CE2 3.68Å; L347-F351 HydrophobicContact CG-CD2 4.39Å; L347-F351 WeakPolarHBondContact O-CD2 3.44Å; L347-F351 PolarHBondContact O-N 3.49Å; L347-F351 VanDerWaalsContact O-N 3.13Å; L347-F373 HydrophobicContact CB-CZ 4.29Å; L347-F373 HydrophobicContact CD2-CZ 4.29Å; L347-F373 HydrophobicContact CG-CZ 4Å; L347-F376 HydrophobicContact CD2-CZ 4.32Å
348	K	96.8	Very high	95	Very high	26 Å²	26	42.6 Å²	42.6	11%	0.113	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-47.6	178	-177	57.2	167.6	65.8	0	111.4	L344 L345 D346 R350 F351 D352 F373 F420	L344-K348 WeakPolarHBondContact O-CB 3.47Å; L344-K348 PolarHBondContact O-N 3.08Å; L345-K348 PolarHBondContact O-N 3.09Å; D346-K348 VanDerWaalsContact C-N 3.31Å; D346-K348 PolarHBondContact O-N 2.66Å; K348-R350 VanDerWaalsContact C-N 3.27Å; K348-R350 PolarHBondContact O-N 2.7Å; K348-F351 PolarHBondContact O-N 2.89Å; K348-D352 IonicContact NZ-OD1 3.4Å; K348-D352 PolarHBondContact NZ-OD1 3.13Å; K348-D352 IonicContact NZ-OD2 2.72Å; K348-D352 PolarHBondContact NZ-OD2 3.37Å; K348-D352 WeakPolarHBondContact O-CB 3.36Å; K348-D352 VanDerWaalsContact O-CG 3.29Å; K348-D352 PolarHBondContact O-N 3.05Å; K348-F373 HydrophobicContact CB-CE1 3.68Å; K348-F373 HydrophobicContact CB-CE2 4.38Å; K348-F373 HydrophobicContact CB-CZ 3.58Å; K348-F373 HydrophobicContact CD-CD1 4.35Å; K348-F373 HydrophobicContact CD-CD2 4.03Å; K348-F373 HydrophobicContact CD-CE1 4.08Å; K348-F373 HydrophobicContact CD-CE2 3.73Å; K348-F373 HydrophobicContact CD-CG 4.35Å; K348-F373 HydrophobicContact CD-CZ 3.78Å; K348-F373 HydrophobicContact CG-CE1 4.35Å; K348-F373 HydrophobicContact CG-CZ 4.27Å; K348-F420 HydrophobicContact CD-CE2 4.48Å
349	S	96.1	Very high	95.5	Very high	51 Å²	51	41.2 Å²	41.2	36%	0.357	21%	0.205	S	C	.	.	H	α-helix	trans	-59.7	-39.5	178.6	-57.2	0	0	0	0	111.5	L345 D346 R353	L345-S349 WeakPolarHBondContact O-CB 3.43Å; L345-S349 PolarHBondContact O-N 3.27Å; L345-S349 PolarHBondContact O-OG 3.01Å; D346-S349 PolarHBondContact O-N 3.49Å; S349-R353 WeakPolarHBondContact O-CB 3.43Å; S349-R353 PolarHBondContact O-N 3.27Å
350	R	96.7	Very high	95.9	Very high	77 Å²	77	42.1 Å²	42.1	29%	0.291	21%	0.209	S	C	.	.	H	α-helix	trans	-63	-46.4	176.5	-177.1	-177.6	-178.3	160.8	9.4	112.6	L287 K288 D346 L347 K348 R353 F354	L287-R350 PolarHBondContact O-NH2 2.94Å; K288-R350 PolarHBondContact O-NH2 2.86Å; D346-R350 WeakPolarHBondContact O-CB 3.35Å; D346-R350 PolarHBondContact O-N 3.08Å; L347-R350 PolarHBondContact O-N 3.01Å; K348-R350 VanDerWaalsContact C-N 3.27Å; K348-R350 PolarHBondContact O-N 2.7Å; R350-R353 WeakPolarHBondContact O-CB 3.48Å; R350-R353 PolarHBondContact O-N 3.45Å; R350-F354 HydrophobicContact CG-CD2 4.37Å; R350-F354 HydrophobicContact CG-CE2 3.67Å; R350-F354 HydrophobicContact CG-CZ 3.83Å; R350-F354 WeakPolarHBondContact O-CD2 3.35Å; R350-F354 WeakPolarHBondContact O-CG 3.5Å; R350-F354 PolarHBondContact O-N 2.98Å; R350-F354 VanDerWaalsContact O-N 3.15Å
351	F	97.7	Very high	96.1	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-74.3	-30.8	180	-87.4	-98.9	0	0	0	113	M316 Y319 L320 L347 K348 R353 F354 L355 I369	M316-F351 HydrophobicContact CG-CD1 4.43Å; M316-F351 HydrophobicContact CG-CE1 3.74Å; M316-F351 HydrophobicContact SD-CD1 4.2Å; M316-F351 HydrophobicContact SD-CE1 4.1Å; Y319-F351 AromaticContact CD1-CZ 4Å; Y319-F351 HydrophobicContact CD1-CZ 4Å; Y319-F351 HydrophobicContact CE1-CZ 4.02Å; L320-F351 HydrophobicContact CB-CE1 3.88Å; L320-F351 HydrophobicContact CB-CZ 3.82Å; L320-F351 HydrophobicContact CD1-CD1 4.31Å; L320-F351 HydrophobicContact CD1-CD2 3.84Å; L320-F351 HydrophobicContact CD1-CE1 4.1Å; L320-F351 HydrophobicContact CD1-CE2 3.62Å; L320-F351 HydrophobicContact CD1-CG 4.17Å; L320-F351 HydrophobicContact CD1-CZ 3.75Å; L320-F351 HydrophobicContact CD2-CD1 4.03Å; L320-F351 HydrophobicContact CD2-CE1 4.07Å; L320-F351 HydrophobicContact CD2-CG 4.44Å; L320-F351 HydrophobicContact CG-CE1 4.23Å; L320-F351 HydrophobicContact CG-CZ 4.22Å; L347-F351 HydrophobicContact CD1-CD2 3.87Å; L347-F351 HydrophobicContact CD1-CE2 3.68Å; L347-F351 HydrophobicContact CG-CD2 4.39Å; L347-F351 WeakPolarHBondContact O-CD2 3.44Å; L347-F351 PolarHBondContact O-N 3.49Å; L347-F351 VanDerWaalsContact O-N 3.13Å; K348-F351 PolarHBondContact O-N 2.89Å; F351-R353 VanDerWaalsContact C-N 3.3Å; F351-F354 HydrophobicContact CD1-CD2 4.43Å; F351-F354 HydrophobicContact CG-CD2 4.41Å; F351-F354 PolarHBondContact O-N 3.16Å; F351-L355 WeakPolarHBondContact O-CB 3.47Å; F351-L355 PolarHBondContact O-N 3.34Å; F351-I369 HydrophobicContact CB-CD1 4.31Å; F351-I369 HydrophobicContact CB-CG2 4.26Å; F351-I369 HydrophobicContact CD1-CD1 4.29Å; F351-I369 HydrophobicContact CD1-CG1 4.21Å
352	D	96	Very high	96.3	Very high	60 Å²	60	47.9 Å²	47.9	32%	0.321	24%	0.241	S	C	.	.	H	α-helix	trans	-62.8	-40	169.8	-73.1	-20.4	0	0	0	111.3	K348 L355 Q356	K348-D352 IonicContact NZ-OD1 3.4Å; K348-D352 PolarHBondContact NZ-OD1 3.13Å; K348-D352 IonicContact NZ-OD2 2.72Å; K348-D352 PolarHBondContact NZ-OD2 3.37Å; K348-D352 WeakPolarHBondContact O-CB 3.36Å; K348-D352 VanDerWaalsContact O-CG 3.29Å; K348-D352 PolarHBondContact O-N 3.05Å; D352-L355 WeakPolarHBondContact O-CB 3.48Å; D352-L355 PolarHBondContact O-N 2.86Å; D352-Q356 WeakPolarHBondContact O-CB 3.26Å; D352-Q356 PolarHBondContact O-N 3.02Å
353	R	96.9	Very high	96.5	Very high	91 Å²	91	53.7 Å²	53.7	34%	0.343	26%	0.26	S	S	.	.	H	α-helix	trans	-61.4	-46.1	174.1	-170.2	177.3	69	94.3	-5.6	111.8	S349 R350 F351 L355 Q356 E357	S349-R353 WeakPolarHBondContact O-CB 3.43Å; S349-R353 PolarHBondContact O-N 3.27Å; R350-R353 WeakPolarHBondContact O-CB 3.48Å; R350-R353 PolarHBondContact O-N 3.45Å; F351-R353 VanDerWaalsContact C-N 3.3Å; R353-L355 VanDerWaalsContact C-N 3.32Å; R353-L355 PolarHBondContact O-N 3.37Å; R353-Q356 PolarHBondContact O-N 3.07Å; R353-E357 WeakPolarHBondContact CD-OE1 3.4Å; R353-E357 HydrophobicContact CG-CG 4.07Å; R353-E357 WeakPolarHBondContact CG-OE1 3.33Å; R353-E357 WeakPolarHBondContact CG-OE2 3.44Å; R353-E357 IonicContact CZ-OE2 2.93Å; R353-E357 IonicContact NH1-OE2 2.77Å; R353-E357 PolarHBondContact NH1-OE2 3.23Å; R353-E357 WeakPolarHBondContact O-CB 3.42Å; R353-E357 PolarHBondContact O-N 2.89Å
354	F	97.8	Very high	96.6	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.4	-40.9	175.4	-62	-33.1	0	0	0	112.5	L287 T292 L295 R350 F351 Q356 S358 F359	L287-F354 HydrophobicContact CB-CE2 4.39Å; L287-F354 HydrophobicContact CD2-CD2 3.45Å; L287-F354 VanDerWaalsContact CD2-CD2 3.45Å; L287-F354 HydrophobicContact CD2-CE2 3.6Å; L287-F354 HydrophobicContact CD2-CG 4.11Å; L287-F354 HydrophobicContact CD2-CZ 4.37Å; L287-F354 WeakPolarHBondContact O-CZ 3.28Å; T292-F354 HydrophobicContact CG2-CD1 3.81Å; T292-F354 HydrophobicContact CG2-CE1 3.96Å; L295-F354 HydrophobicContact CD1-CD1 3.98Å; L295-F354 HydrophobicContact CD1-CE1 4.21Å; L295-F354 HydrophobicContact CD1-CG 4.34Å; R350-F354 HydrophobicContact CG-CD2 4.37Å; R350-F354 HydrophobicContact CG-CE2 3.67Å; R350-F354 HydrophobicContact CG-CZ 3.83Å; R350-F354 WeakPolarHBondContact O-CD2 3.35Å; R350-F354 WeakPolarHBondContact O-CG 3.5Å; R350-F354 PolarHBondContact O-N 2.98Å; R350-F354 VanDerWaalsContact O-N 3.15Å; F351-F354 HydrophobicContact CD1-CD2 4.43Å; F351-F354 HydrophobicContact CG-CD2 4.41Å; F351-F354 PolarHBondContact O-N 3.16Å; F354-Q356 VanDerWaalsContact C-N 3.33Å; F354-Q356 PolarHBondContact O-N 2.97Å; F354-S358 WeakPolarHBondContact O-CA 3.48Å; F354-S358 WeakPolarHBondContact O-CB 3.49Å; F354-S358 PolarHBondContact O-N 3.28Å; F354-F359 HydrophobicContact CB-CD2 4.4Å; F354-F359 HydrophobicContact CB-CE2 3.94Å; F354-F359 PolarHBondContact O-N 3.18Å; F354-F359 VanDerWaalsContact O-N 3.08Å
355	L	97.3	Very high	96.7	Very high	9 Å²	9	56 Å²	56	5%	0.047	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-43.3	176.5	-179.8	63.7	0	0	0	111.9	F351 D352 R353 F359 N360 N361 F365 K366 I369	F351-L355 WeakPolarHBondContact O-CB 3.47Å; F351-L355 PolarHBondContact O-N 3.34Å; D352-L355 WeakPolarHBondContact O-CB 3.48Å; D352-L355 PolarHBondContact O-N 2.86Å; R353-L355 VanDerWaalsContact C-N 3.32Å; R353-L355 PolarHBondContact O-N 3.37Å; L355-F359 HydrophobicContact CD1-CB 4.34Å; L355-F359 CarbonylContact O-C 3.58Å; L355-N360 PolarHBondContact O-N 3.05Å; L355-N361 PolarHBondContact O-N 3.42Å; L355-F365 HydrophobicContact CD1-CB 3.75Å; L355-K366 HydrophobicContact CD1-CB 4.29Å; L355-K366 HydrophobicContact CD2-CB 3.81Å; L355-K366 HydrophobicContact CD2-CD 4.42Å; L355-K366 HydrophobicContact CD2-CG 3.93Å; L355-I369 HydrophobicContact CB-CD1 4.27Å
356	Q	96.7	Very high	96.8	Very high	133 Å²	133	62 Å²	62	62%	0.621	29%	0.293	S	S	*	.	H	α-helix	trans	-76.2	-49	-178.4	-175.3	177	-0.1	0	0	112.9	D352 R353 F354	D352-Q356 WeakPolarHBondContact O-CB 3.26Å; D352-Q356 PolarHBondContact O-N 3.02Å; R353-Q356 PolarHBondContact O-N 3.07Å; F354-Q356 VanDerWaalsContact C-N 3.33Å; F354-Q356 PolarHBondContact O-N 2.97Å
357	E	96.5	Very high	96.9	Very high	102 Å²	102	63.1 Å²	63.1	48%	0.477	30%	0.296	S	S	.	.	H	α-helix	trans	-83.4	-32	-171.7	-66.5	176.8	-173.8	0	0	113	T292 R353	T292-E357 HydrophobicContact CG2-CB 4.45Å; T292-E357 WeakPolarHBondContact CG2-OE2 3.48Å; R353-E357 WeakPolarHBondContact CD-OE1 3.4Å; R353-E357 HydrophobicContact CG-CG 4.07Å; R353-E357 WeakPolarHBondContact CG-OE1 3.33Å; R353-E357 WeakPolarHBondContact CG-OE2 3.44Å; R353-E357 IonicContact CZ-OE2 2.93Å; R353-E357 IonicContact NH1-OE2 2.77Å; R353-E357 PolarHBondContact NH1-OE2 3.23Å; R353-E357 WeakPolarHBondContact O-CB 3.42Å; R353-E357 PolarHBondContact O-N 2.89Å
358	S	97.1	Very high	97	Very high	3 Å²	3	63.8 Å²	63.8	2%	0.021	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-34.7	-170.6	-56.3	0	0	0	0	114.3	T292 A296 F354	T292-S358 VanDerWaalsContact CA-OG 3.26Å; T292-S358 WeakPolarHBondContact CA-OG 3.43Å; T292-S358 WeakPolarHBondContact CB-OG 3.38Å; T292-S358 PolarHBondContact O-OG 3.39Å; A296-S358 WeakPolarHBondContact CA-O 3.42Å; F354-S358 WeakPolarHBondContact O-CA 3.48Å; F354-S358 WeakPolarHBondContact O-CB 3.49Å; F354-S358 PolarHBondContact O-N 3.28Å
359	F	96.9	Very high	97	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	-105	14.5	-173.7	-50.4	-38	0	0	0	113.7	L287 L295 Y299 M312 M316 F354 L355 N361 D362 F365	L287-F359 HydrophobicContact CD2-CZ 4.41Å; L295-F359 HydrophobicContact CB-CE1 4.12Å; L295-F359 HydrophobicContact CD2-CE1 4.3Å; L295-F359 HydrophobicContact CD2-CZ 4.24Å; Y299-F359 HydrophobicContact CD2-CB 4.26Å; Y299-F359 HydrophobicContact CD2-CD1 4.18Å; Y299-F359 HydrophobicContact CE2-CB 4.46Å; Y299-F359 HydrophobicContact CG-CD1 4.36Å; M312-F359 HydrophobicContact CE-CE1 4.29Å; M316-F359 HydrophobicContact SD-CE2 3.85Å; F354-F359 HydrophobicContact CB-CD2 4.4Å; F354-F359 HydrophobicContact CB-CE2 3.94Å; F354-F359 PolarHBondContact O-N 3.18Å; F354-F359 VanDerWaalsContact O-N 3.08Å; L355-F359 HydrophobicContact CD1-CB 4.34Å; L355-F359 CarbonylContact O-C 3.58Å; F359-N361 PolarHBondContact O-N 3.47Å; F359-N361 VanDerWaalsContact O-N 3.09Å; F359-D362 WeakPolarHBondContact O-CB 3.32Å; F359-D362 PolarHBondContact O-N 2.97Å; F359-F365 HydrophobicContact CB-CD1 4.34Å; F359-F365 HydrophobicContact CB-CD2 4.45Å; F359-F365 HydrophobicContact CB-CG 4.2Å; F359-F365 HydrophobicContact CD1-CD1 4.41Å; F359-F365 HydrophobicContact CD1-CE1 4.14Å; F359-F365 HydrophobicContact CD1-CZ 4.46Å; F359-F365 HydrophobicContact CD2-CB 4.4Å; F359-F365 AromaticContact CD2-CD1 3.46Å; F359-F365 HydrophobicContact CD2-CD1 3.46Å; F359-F365 VanDerWaalsContact CD2-CD1 3.46Å; F359-F365 AromaticContact CD2-CE1 3.93Å; F359-F365 HydrophobicContact CD2-CE1 3.93Å; F359-F365 HydrophobicContact CD2-CG 4.05Å; F359-F365 HydrophobicContact CE1-CE1 4.17Å; F359-F365 AromaticContact CE2-CD1 3.75Å; F359-F365 HydrophobicContact CE2-CD1 3.75Å; F359-F365 AromaticContact CE2-CE1 3.95Å; F359-F365 HydrophobicContact CE2-CE1 3.95Å; F359-F365 AromaticContact CG-CD1 3.83Å; F359-F365 HydrophobicContact CG-CD1 3.83Å; F359-F365 HydrophobicContact CG-CE1 4.03Å; F359-F365 HydrophobicContact CG-CG 4.2Å; F359-F365 HydrophobicContact CZ-CD1 4.35Å; F359-F365 HydrophobicContact CZ-CE1 4.08Å
360	N	95.4	Very high	97.1	Very high	123 Å²	123	61.8 Å²	61.8	66%	0.658	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	35.9	176.2	-165.6	35.2	0	0	0	114.4	Y299 L355 D362	Y299-N360 HydrophobicContact CE1-CB 3.93Å; L355-N360 PolarHBondContact O-N 3.05Å; N360-D362 PolarHBondContact O-N 3.08Å
361	N	96.4	Very high	97.1	Very high	98 Å²	98	59.5 Å²	59.5	52%	0.524	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	32	-174.3	-67.8	-62.4	0	0	0	114.6	L355 F359 R363	L355-N361 PolarHBondContact O-N 3.42Å; F359-N361 PolarHBondContact O-N 3.47Å; F359-N361 VanDerWaalsContact O-N 3.09Å; N361-R363 PolarHBondContact O-N 3.46Å
362	D	97.4	Very high	97.1	Very high	36 Å²	36	59.6 Å²	59.6	19%	0.193	29%	0.293	C	S	.	.			trans	-56	135.6	-178.4	-177.7	-83.9	0	0	0	112.5	Y299 F359 N360 L364 F365 K366	Y299-D362 HydrophobicContact CE2-CB 4.01Å; F359-D362 WeakPolarHBondContact O-CB 3.32Å; F359-D362 PolarHBondContact O-N 2.97Å; N360-D362 PolarHBondContact O-N 3.08Å; D362-L364 PolarHBondContact O-N 2.96Å; D362-L364 WeakPolarHBondContact OD1-CA 3.32Å; D362-L364 WeakPolarHBondContact OD1-CB 3.28Å; D362-L364 PolarHBondContact OD1-N 2.69Å; D362-F365 HydrophobicContact CB-CB 4.48Å; D362-F365 HydrophobicContact CB-CD2 3.85Å; D362-F365 PolarHBondContact O-N 2.95Å; D362-F365 WeakPolarHBondContact OD1-CD2 3.38Å; D362-F365 PolarHBondContact OD1-N 2.85Å; D362-K366 WeakPolarHBondContact O-CB 3.1Å; D362-K366 PolarHBondContact O-N 2.84Å
363	R	96.8	Very high	97.2	Very high	188 Å²	188	56.8 Å²	56.8	71%	0.709	28%	0.278	S	S	*	.	H	α-helix	trans	-65.8	-37.7	-173.7	-170.1	179.4	75.2	173.8	1.2	112.3	N361 K366 Q367	N361-R363 PolarHBondContact O-N 3.46Å; R363-K366 PolarHBondContact O-N 2.69Å; R363-Q367 HydrophobicContact CG-CG 4.41Å; R363-Q367 WeakPolarHBondContact O-CB 3.33Å; R363-Q367 VanDerWaalsContact O-CG 3.28Å; R363-Q367 WeakPolarHBondContact O-CG 3.4Å; R363-Q367 PolarHBondContact O-N 3.2Å
364	L	97.1	Very high	97.2	Very high	69 Å²	69	55.7 Å²	55.7	36%	0.361	28%	0.277	S	S	.	.	H	α-helix	trans	-65.3	-45.8	179.8	180	66	0	0	0	110.1	C313 D362 Q367 T368	C313-L364 HydrophobicContact CB-CD2 4.27Å; C313-L364 HydrophobicContact CB-CG 4.41Å; D362-L364 PolarHBondContact O-N 2.96Å; D362-L364 WeakPolarHBondContact OD1-CA 3.32Å; D362-L364 WeakPolarHBondContact OD1-CB 3.28Å; D362-L364 PolarHBondContact OD1-N 2.69Å; L364-Q367 PolarHBondContact O-N 2.96Å; L364-T368 WeakPolarHBondContact O-CB 3.44Å; L364-T368 PolarHBondContact O-N 2.98Å; L364-T368 PolarHBondContact O-OG1 3.43Å
365	F	97.9	Very high	97.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.6	-45.8	176.1	-75.6	-99.1	0	0	0	111.3	Y299 L309 M312 C313 M316 L355 F359 D362 Q367 T368 I369	Y299-F365 HydrophobicContact CD2-CE2 4.1Å; Y299-F365 HydrophobicContact CD2-CZ 4.41Å; Y299-F365 HydrophobicContact CE2-CE2 4.1Å; L309-F365 HydrophobicContact CB-CE2 4.27Å; L309-F365 HydrophobicContact CD2-CE2 4.31Å; M312-F365 HydrophobicContact CB-CE1 4.43Å; M312-F365 HydrophobicContact CB-CZ 3.91Å; M312-F365 HydrophobicContact CE-CZ 4.47Å; C313-F365 VanDerWaalsContact SG-CD1 3.58Å; C313-F365 WeakPolarHBondContact SG-CD2 3.33Å; C313-F365 WeakPolarHBondContact SG-CE2 3.42Å; C313-F365 WeakPolarHBondContact SG-CG 3.17Å; C313-F365 VanDerWaalsContact SG-CZ 3.56Å; M316-F365 HydrophobicContact CE-CB 4.47Å; M316-F365 HydrophobicContact CE-CD1 3.6Å; M316-F365 HydrophobicContact CE-CE1 4.29Å; M316-F365 HydrophobicContact CE-CG 4.4Å; M316-F365 HydrophobicContact SD-CD1 3.68Å; M316-F365 HydrophobicContact SD-CE1 4.14Å; L355-F365 HydrophobicContact CD1-CB 3.75Å; F359-F365 HydrophobicContact CB-CD1 4.34Å; F359-F365 HydrophobicContact CB-CD2 4.45Å; F359-F365 HydrophobicContact CB-CG 4.2Å; F359-F365 HydrophobicContact CD1-CD1 4.41Å; F359-F365 HydrophobicContact CD1-CE1 4.14Å; F359-F365 HydrophobicContact CD1-CZ 4.46Å; F359-F365 HydrophobicContact CD2-CB 4.4Å; F359-F365 AromaticContact CD2-CD1 3.46Å; F359-F365 HydrophobicContact CD2-CD1 3.46Å; F359-F365 VanDerWaalsContact CD2-CD1 3.46Å; F359-F365 AromaticContact CD2-CE1 3.93Å; F359-F365 HydrophobicContact CD2-CE1 3.93Å; F359-F365 HydrophobicContact CD2-CG 4.05Å; F359-F365 HydrophobicContact CE1-CE1 4.17Å; F359-F365 AromaticContact CE2-CD1 3.75Å; F359-F365 HydrophobicContact CE2-CD1 3.75Å; F359-F365 AromaticContact CE2-CE1 3.95Å; F359-F365 HydrophobicContact CE2-CE1 3.95Å; F359-F365 AromaticContact CG-CD1 3.83Å; F359-F365 HydrophobicContact CG-CD1 3.83Å; F359-F365 HydrophobicContact CG-CE1 4.03Å; F359-F365 HydrophobicContact CG-CG 4.2Å; F359-F365 HydrophobicContact CZ-CD1 4.35Å; F359-F365 HydrophobicContact CZ-CE1 4.08Å; D362-F365 HydrophobicContact CB-CB 4.48Å; D362-F365 HydrophobicContact CB-CD2 3.85Å; D362-F365 PolarHBondContact O-N 2.95Å; D362-F365 WeakPolarHBondContact OD1-CD2 3.38Å; D362-F365 PolarHBondContact OD1-N 2.85Å; F365-Q367 PolarHBondContact O-N 3.38Å; F365-T368 PolarHBondContact O-N 3.1Å; F365-I369 WeakPolarHBondContact O-CB 3.41Å; F365-I369 VanDerWaalsContact O-CG1 3.26Å; F365-I369 WeakPolarHBondContact O-CG1 3.41Å; F365-I369 PolarHBondContact O-N 2.89Å
366	K	97.3	Very high	97	Very high	131 Å²	131	59.4 Å²	59.4	57%	0.57	29%	0.291	S	S	*	.	H	α-helix	trans	-58.5	-45.7	177.7	-172.9	174.7	-177.6	173.7	0	112.7	L355 D362 R363 A370	L355-K366 HydrophobicContact CD1-CB 4.29Å; L355-K366 HydrophobicContact CD2-CB 3.81Å; L355-K366 HydrophobicContact CD2-CD 4.42Å; L355-K366 HydrophobicContact CD2-CG 3.93Å; D362-K366 WeakPolarHBondContact O-CB 3.1Å; D362-K366 PolarHBondContact O-N 2.84Å; R363-K366 PolarHBondContact O-N 2.69Å; K366-A370 WeakPolarHBondContact O-CB 3.5Å; K366-A370 PolarHBondContact O-N 3.41Å
367	Q	97.4	Very high	96.9	Very high	113 Å²	113	53.2 Å²	53.2	53%	0.528	26%	0.262	S	S	.	.	H	α-helix	trans	-66.4	-41.3	178	-74.6	176.1	-10.7	0	0	111.7	R363 L364 F365 A370 G371	R363-Q367 HydrophobicContact CG-CG 4.41Å; R363-Q367 WeakPolarHBondContact O-CB 3.33Å; R363-Q367 VanDerWaalsContact O-CG 3.28Å; R363-Q367 WeakPolarHBondContact O-CG 3.4Å; R363-Q367 PolarHBondContact O-N 3.2Å; L364-Q367 PolarHBondContact O-N 2.96Å; F365-Q367 PolarHBondContact O-N 3.38Å; Q367-A370 PolarHBondContact O-N 3.07Å; Q367-G371 PolarHBondContact O-N 2.97Å
368	T	98	Very high	96.8	Very high	28 Å²	28	50.4 Å²	50.4	17%	0.172	25%	0.25	C	C	.	.	H	α-helix	trans	-63.1	-48.6	178	-57.6	0	0	0	0	111.1	M316 L364 F365 A370 G371 D372	M316-T368 HydrophobicContact CE-CG2 4.11Å; L364-T368 WeakPolarHBondContact O-CB 3.44Å; L364-T368 PolarHBondContact O-N 2.98Å; L364-T368 PolarHBondContact O-OG1 3.43Å; F365-T368 PolarHBondContact O-N 3.1Å; T368-A370 PolarHBondContact O-N 3.42Å; T368-G371 PolarHBondContact O-N 3.01Å; T368-D372 WeakPolarHBondContact O-CB 3.48Å; T368-D372 PolarHBondContact O-N 2.98Å
369	I	97.9	Very high	96.6	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-58	-49.1	176.2	-67.1	163.6	0	0	0	110.3	M316 L320 F351 L355 F365 G371 D372 F373	M316-I369 HydrophobicContact CE-CD1 4.28Å; M316-I369 HydrophobicContact CE-CG1 3.78Å; M316-I369 HydrophobicContact SD-CD1 4.35Å; M316-I369 HydrophobicContact SD-CG1 4.26Å; L320-I369 HydrophobicContact CD2-CB 4.33Å; L320-I369 HydrophobicContact CD2-CG1 4.19Å; L320-I369 HydrophobicContact CD2-CG2 4.2Å; F351-I369 HydrophobicContact CB-CD1 4.31Å; F351-I369 HydrophobicContact CB-CG2 4.26Å; F351-I369 HydrophobicContact CD1-CD1 4.29Å; F351-I369 HydrophobicContact CD1-CG1 4.21Å; L355-I369 HydrophobicContact CB-CD1 4.27Å; F365-I369 WeakPolarHBondContact O-CB 3.41Å; F365-I369 VanDerWaalsContact O-CG1 3.26Å; F365-I369 WeakPolarHBondContact O-CG1 3.41Å; F365-I369 PolarHBondContact O-N 2.89Å; I369-G371 PolarHBondContact O-N 3.47Å; I369-D372 PolarHBondContact O-N 3.44Å; I369-F373 HydrophobicContact CG2-CD2 3.9Å; I369-F373 HydrophobicContact CG2-CE2 4.01Å; I369-F373 WeakPolarHBondContact O-CD2 3.38Å; I369-F373 PolarHBondContact O-N 2.92Å
370	A	96.9	Very high	96.2	Very high	32 Å²	32	55 Å²	55	26%	0.264	27%	0.274	S	S	.	.	H	α-helix	trans	-59.2	-45.2	178.4	0	0	0	0	0	112.5	K366 Q367 T368 D372 F373 E374 F420	K366-A370 WeakPolarHBondContact O-CB 3.5Å; K366-A370 PolarHBondContact O-N 3.41Å; Q367-A370 PolarHBondContact O-N 3.07Å; T368-A370 PolarHBondContact O-N 3.42Å; A370-D372 VanDerWaalsContact C-N 3.33Å; A370-D372 PolarHBondContact O-N 3.2Å; A370-F373 PolarHBondContact O-N 2.81Å; A370-E374 PolarHBondContact O-N 3.14Å; A370-F420 HydrophobicContact CB-CE1 3.83Å; A370-F420 HydrophobicContact CB-CZ 4.25Å
371	G	97.6	Very high	95.9	Very high	30 Å²	30	52.7 Å²	52.7	31%	0.309	27%	0.267	S	S	.	.	H	α-helix	trans	-65.4	-34.5	178.2	0	0	0	0	0	113.2	Q367 T368 I369 Y375	Q367-G371 PolarHBondContact O-N 2.97Å; T368-G371 PolarHBondContact O-N 3.01Å; I369-G371 PolarHBondContact O-N 3.47Å; G371-Y375 WeakPolarHBondContact O-CB 3.45Å; G371-Y375 PolarHBondContact O-N 2.83Å
372	D	98.3	Very high	95.6	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.011	26%	0.255	C	S	.	.	H	α-helix	trans	-71.9	-41.2	177	-68.8	-20.4	0	0	0	111.8	S317 L320 R321 T368 I369 A370 Y375 F376	S317-D372 WeakPolarHBondContact CA-OD2 3.24Å; S317-D372 WeakPolarHBondContact CB-OD2 3.37Å; S317-D372 PolarHBondContact OG-OD1 3.07Å; S317-D372 PolarHBondContact OG-OD2 3.38Å; L320-D372 HydrophobicContact CD2-CB 3.76Å; L320-D372 HydrophobicContact CG-CB 4.05Å; R321-D372 HydrophobicContact CG-CB 4.13Å; R321-D372 IonicContact CZ-OD1 3.72Å; R321-D372 VanDerWaalsContact CZ-OD1 3.25Å; R321-D372 IonicContact NE-OD1 3.93Å; R321-D372 PolarHBondContact NE-OD1 3.47Å; R321-D372 IonicContact NH2-OD1 2.75Å; R321-D372 PolarHBondContact NH2-OD1 3.47Å; T368-D372 WeakPolarHBondContact O-CB 3.48Å; T368-D372 PolarHBondContact O-N 2.98Å; I369-D372 PolarHBondContact O-N 3.44Å; A370-D372 VanDerWaalsContact C-N 3.33Å; A370-D372 PolarHBondContact O-N 3.2Å; D372-Y375 WeakPolarHBondContact O-CB 3.47Å; D372-Y375 PolarHBondContact O-N 3.14Å; D372-Y375 VanDerWaalsContact O-N 3.12Å; D372-F376 VanDerWaalsContact C-CE1 3.48Å; D372-F376 HydrophobicContact CB-CE1 4.38Å; D372-F376 WeakPolarHBondContact O-CD1 3.4Å; D372-F376 WeakPolarHBondContact O-CE1 3.33Å; D372-F376 WeakPolarHBondContact O-CG 3.26Å; D372-F376 PolarHBondContact O-N 2.72Å
373	F	97.7	Very high	95.4	Very high	1 Å²	1	49.8 Å²	49.8	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-43.3	171.4	-90.2	-92.4	0	0	0	112.3	L320 L347 K348 I369 A370 Y375 F376 L377 L417 F420	L320-F373 HydrophobicContact CD1-CE2 3.97Å; L320-F373 HydrophobicContact CD2-CD2 4.35Å; L320-F373 HydrophobicContact CD2-CE2 4.24Å; L347-F373 HydrophobicContact CB-CZ 4.29Å; L347-F373 HydrophobicContact CD2-CZ 4.29Å; L347-F373 HydrophobicContact CG-CZ 4Å; K348-F373 HydrophobicContact CB-CE1 3.68Å; K348-F373 HydrophobicContact CB-CE2 4.38Å; K348-F373 HydrophobicContact CB-CZ 3.58Å; K348-F373 HydrophobicContact CD-CD1 4.35Å; K348-F373 HydrophobicContact CD-CD2 4.03Å; K348-F373 HydrophobicContact CD-CE1 4.08Å; K348-F373 HydrophobicContact CD-CE2 3.73Å; K348-F373 HydrophobicContact CD-CG 4.35Å; K348-F373 HydrophobicContact CD-CZ 3.78Å; K348-F373 HydrophobicContact CG-CE1 4.35Å; K348-F373 HydrophobicContact CG-CZ 4.27Å; I369-F373 HydrophobicContact CG2-CD2 3.9Å; I369-F373 HydrophobicContact CG2-CE2 4.01Å; I369-F373 WeakPolarHBondContact O-CD2 3.38Å; I369-F373 PolarHBondContact O-N 2.92Å; A370-F373 PolarHBondContact O-N 2.81Å; F373-Y375 VanDerWaalsContact C-N 3.3Å; F373-Y375 PolarHBondContact O-N 3.18Å; F373-F376 VanDerWaalsContact CA-CZ 3.49Å; F373-F376 HydrophobicContact CB-CE2 4.49Å; F373-F376 HydrophobicContact CB-CZ 4.06Å; F373-F376 AromaticContact CD1-CE2 3.69Å; F373-F376 HydrophobicContact CD1-CE2 3.69Å; F373-F376 AromaticContact CD1-CZ 3.42Å; F373-F376 HydrophobicContact CD1-CZ 3.42Å; F373-F376 VanDerWaalsContact CD1-CZ 3.42Å; F373-F376 HydrophobicContact CD2-CE1 4.33Å; F373-F376 AromaticContact CD2-CZ 3.84Å; F373-F376 HydrophobicContact CD2-CZ 3.84Å; F373-F376 HydrophobicContact CE1-CE2 4.01Å; F373-F376 AromaticContact CE1-CZ 3.64Å; F373-F376 HydrophobicContact CE1-CZ 3.64Å; F373-F376 HydrophobicContact CE2-CZ 4.04Å; F373-F376 HydrophobicContact CG-CE1 4.25Å; F373-F376 HydrophobicContact CG-CE2 4.13Å; F373-F376 AromaticContact CG-CZ 3.51Å; F373-F376 HydrophobicContact CG-CZ 3.51Å; F373-F376 AromaticContact CZ-CZ 3.92Å; F373-F376 HydrophobicContact CZ-CZ 3.92Å; F373-L377 WeakPolarHBondContact O-CB 3.29Å; F373-L377 PolarHBondContact O-N 2.82Å; F373-L377 VanDerWaalsContact O-N 3.1Å; F373-L417 HydrophobicContact CD1-CD2 4.12Å; F373-L417 HydrophobicContact CE1-CD2 4.36Å; F373-F420 HydrophobicContact CB-CD2 3.58Å; F373-F420 HydrophobicContact CB-CE2 3.7Å; F373-F420 HydrophobicContact CB-CG 4.06Å; F373-F420 HydrophobicContact CB-CZ 4.29Å; F373-F420 HydrophobicContact CD1-CD2 4.37Å; F373-F420 HydrophobicContact CD1-CE2 4.37Å; F373-F420 HydrophobicContact CG-CD2 4.25Å; F373-F420 HydrophobicContact CG-CE2 4.09Å
374	E	96.2	Very high	95.3	Very high	69 Å²	69	41 Å²	41	32%	0.322	21%	0.214	S	C	.	.	H	α-helix	trans	-60.7	-40.6	171.8	-176.8	175.5	177.4	0	0	111.2	A370 N378 F420 Q422	A370-E374 PolarHBondContact O-N 3.14Å; E374-N378 PolarHBondContact O-ND2 3.09Å; E374-F420 HydrophobicContact CB-CB 4.33Å; E374-Q422 PolarHBondContact OE1-NE2 2.86Å
375	Y	96.2	Very high	95	Very high	87 Å²	87	38 Å²	38	34%	0.341	20%	0.198	S	C	.	.	H	α-helix	trans	-62.7	-57.8	179.8	171.7	-93	0	0	0	112.4	R321 G371 D372 F373 L379	R321-Y375 HydrophobicContact CG-CD1 4.17Å; G371-Y375 WeakPolarHBondContact O-CB 3.45Å; G371-Y375 PolarHBondContact O-N 2.83Å; D372-Y375 WeakPolarHBondContact O-CB 3.47Å; D372-Y375 PolarHBondContact O-N 3.14Å; D372-Y375 VanDerWaalsContact O-N 3.12Å; F373-Y375 VanDerWaalsContact C-N 3.3Å; F373-Y375 PolarHBondContact O-N 3.18Å; Y375-L379 HydrophobicContact CD1-CD1 4.46Å; Y375-L379 HydrophobicContact CE1-CD1 3.82Å; Y375-L379 HydrophobicContact CE1-CD2 4.5Å; Y375-L379 HydrophobicContact CE1-CG 4.43Å
376	F	95.3	Very high	94.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-78.2	-30.8	-172.4	58.4	-110.6	0	0	0	113.5	L320 V328 L344 L347 D372 F373 N378 L379	L320-F376 HydrophobicContact CD1-CE1 4.19Å; L320-F376 HydrophobicContact CG-CE1 4.18Å; V328-F376 HydrophobicContact CG1-CD2 4.1Å; V328-F376 HydrophobicContact CG2-CB 4.34Å; V328-F376 WeakPolarHBondContact CG2-O 3.41Å; L344-F376 HydrophobicContact CD2-CD2 4.24Å; L344-F376 HydrophobicContact CD2-CE2 3.73Å; L347-F376 HydrophobicContact CD2-CZ 4.32Å; D372-F376 VanDerWaalsContact C-CE1 3.48Å; D372-F376 HydrophobicContact CB-CE1 4.38Å; D372-F376 WeakPolarHBondContact O-CD1 3.4Å; D372-F376 WeakPolarHBondContact O-CE1 3.33Å; D372-F376 WeakPolarHBondContact O-CG 3.26Å; D372-F376 PolarHBondContact O-N 2.72Å; F373-F376 VanDerWaalsContact CA-CZ 3.49Å; F373-F376 HydrophobicContact CB-CE2 4.49Å; F373-F376 HydrophobicContact CB-CZ 4.06Å; F373-F376 AromaticContact CD1-CE2 3.69Å; F373-F376 HydrophobicContact CD1-CE2 3.69Å; F373-F376 AromaticContact CD1-CZ 3.42Å; F373-F376 HydrophobicContact CD1-CZ 3.42Å; F373-F376 VanDerWaalsContact CD1-CZ 3.42Å; F373-F376 HydrophobicContact CD2-CE1 4.33Å; F373-F376 AromaticContact CD2-CZ 3.84Å; F373-F376 HydrophobicContact CD2-CZ 3.84Å; F373-F376 HydrophobicContact CE1-CE2 4.01Å; F373-F376 AromaticContact CE1-CZ 3.64Å; F373-F376 HydrophobicContact CE1-CZ 3.64Å; F373-F376 HydrophobicContact CE2-CZ 4.04Å; F373-F376 HydrophobicContact CG-CE1 4.25Å; F373-F376 HydrophobicContact CG-CE2 4.13Å; F373-F376 AromaticContact CG-CZ 3.51Å; F373-F376 HydrophobicContact CG-CZ 3.51Å; F373-F376 AromaticContact CZ-CZ 3.92Å; F373-F376 HydrophobicContact CZ-CZ 3.92Å; F376-N378 PolarHBondContact O-N 2.8Å; F376-L379 HydrophobicContact CB-CD1 4.19Å; F376-L379 WeakPolarHBondContact O-CB 3.45Å; F376-L379 PolarHBondContact O-N 3.38Å; F376-L379 VanDerWaalsContact O-N 3.08Å
377	L	94.4	Very high	94.8	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-58.9	-34.9	178.3	-178.7	67.3	0	0	0	111.6	L344 F373 S383 L417 F420 M421	L344-L377 HydrophobicContact CD1-CD1 3.75Å; F373-L377 WeakPolarHBondContact O-CB 3.29Å; F373-L377 PolarHBondContact O-N 2.82Å; F373-L377 VanDerWaalsContact O-N 3.1Å; L377-S383 WeakPolarHBondContact O-CB 3.37Å; L377-S383 PolarHBondContact O-OG 3.13Å; L377-L417 WeakPolarHBondContact CD2-O 3.31Å; L377-F420 HydrophobicContact CD2-CB 3.87Å; L377-M421 HydrophobicContact CD2-CB 4.27Å
378	N	93.7	Very high	94.6	Very high	43 Å²	43	27.2 Å²	27.2	23%	0.23	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	1.5	-178.5	-63.6	-66.1	0	0	0	113.8	E374 F376 N380 F420 Q422	E374-N378 PolarHBondContact O-ND2 3.09Å; F376-N378 PolarHBondContact O-N 2.8Å; N378-N380 VanDerWaalsContact C-N 3.31Å; N378-F420 PolarHBondContact ND2-O 2.89Å; N378-Q422 PolarHBondContact OD1-N 3.36Å
379	L	92.8	Very high	94.4	Very high	88 Å²	88	26.9 Å²	26.9	46%	0.461	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-28.6	170.1	-65.7	176.1	0	0	0	112	K325 V328 Y375 F376	K325-L379 HydrophobicContact CD-CD1 4.49Å; K325-L379 HydrophobicContact CG-CD1 3.73Å; V328-L379 HydrophobicContact CG2-CB 4.31Å; Y375-L379 HydrophobicContact CD1-CD1 4.46Å; Y375-L379 HydrophobicContact CE1-CD1 3.82Å; Y375-L379 HydrophobicContact CE1-CD2 4.5Å; Y375-L379 HydrophobicContact CE1-CG 4.43Å; F376-L379 HydrophobicContact CB-CD1 4.19Å; F376-L379 WeakPolarHBondContact O-CB 3.45Å; F376-L379 PolarHBondContact O-N 3.38Å; F376-L379 VanDerWaalsContact O-N 3.08Å
380	N	90.2	Very high	94.1	Very high	12 Å²	12	26.7 Å²	26.7	6%	0.064	15%	0.145	C	C	.	.	S	Bend	trans	-102.4	115.7	178.9	-169.8	-31.1	0	0	0	110.8	V328 N378 R382 S383	V328-N380 HydrophobicContact CB-CB 4.23Å; V328-N380 PolarHBondContact O-ND2 3.21Å; N378-N380 VanDerWaalsContact C-N 3.31Å; N380-R382 PolarHBondContact O-N 3.31Å; N380-R382 VanDerWaalsContact O-N 3.14Å; N380-R382 WeakPolarHBondContact OD1-CA 3.42Å; N380-R382 VanDerWaalsContact OD1-CB 3.26Å; N380-R382 WeakPolarHBondContact OD1-CB 3.43Å; N380-R382 WeakPolarHBondContact OD1-CG 3.17Å; N380-R382 PolarHBondContact OD1-N 3.31Å; N380-S383 WeakPolarHBondContact O-CB 3.35Å; N380-S383 PolarHBondContact O-N 2.9Å; N380-S383 VanDerWaalsContact O-N 3.14Å; N380-S383 PolarHBondContact O-OG 3.05Å
381	S	89.2	Confident	94	Very high	73 Å²	73	25.2 Å²	25.2	51%	0.51	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.7	178.5	67.4	0	0	0	0	114.6	P384	S381-P384 WeakPolarHBondContact O-CD 3.26Å
382	R	89.1	Confident	93.7	Very high	72 Å²	72	23.8 Å²	23.8	27%	0.272	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-10.8	177.3	-52.5	-174.8	-166.2	-149.3	-6	113.7	E330 N380 P384 E385 Y386	E330-R382 IonicContact OE1-CZ 2.64Å; E330-R382 IonicContact OE1-NE 3.5Å; E330-R382 PolarHBondContact OE1-NE 3.43Å; E330-R382 IonicContact OE1-NH2 2.64Å; N380-R382 PolarHBondContact O-N 3.31Å; N380-R382 VanDerWaalsContact O-N 3.14Å; N380-R382 WeakPolarHBondContact OD1-CA 3.42Å; N380-R382 VanDerWaalsContact OD1-CB 3.26Å; N380-R382 WeakPolarHBondContact OD1-CB 3.43Å; N380-R382 WeakPolarHBondContact OD1-CG 3.17Å; N380-R382 PolarHBondContact OD1-N 3.31Å; R382-P384 VanDerWaalsContact C-N 3.3Å; R382-E385 WeakPolarHBondContact O-CB 3.34Å; R382-E385 PolarHBondContact O-N 3.37Å; R382-Y386 HydrophobicContact CB-CD1 4.37Å; R382-Y386 HydrophobicContact CB-CD2 4.25Å; R382-Y386 HydrophobicContact CB-CE1 4.11Å; R382-Y386 HydrophobicContact CB-CE2 3.96Å; R382-Y386 HydrophobicContact CB-CG 4.46Å; R382-Y386 WeakPolarHBondContact CD-OH 3.44Å; R382-Y386 PolarHBondContact O-N 3.35Å
383	S	93.3	Very high	93.3	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	13%	0.13	C	C	.	.	H	α-helix	trans	-48.9	-42.3	178	-69.1	0	0	0	0	113.9	Y340 L377 N380 Y386 L387	Y340-S383 PolarHBondContact OH-OG 3.37Å; L377-S383 WeakPolarHBondContact O-CB 3.37Å; L377-S383 PolarHBondContact O-OG 3.13Å; N380-S383 WeakPolarHBondContact O-CB 3.35Å; N380-S383 PolarHBondContact O-N 2.9Å; N380-S383 VanDerWaalsContact O-N 3.14Å; N380-S383 PolarHBondContact O-OG 3.05Å; S383-Y386 PolarHBondContact O-N 3.24Å; S383-L387 WeakPolarHBondContact O-CB 3.43Å; S383-L387 PolarHBondContact O-N 2.95Å
384	P	94.2	Very high	92.8	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.032	14%	0.137	C	C	.	.	H	α-helix	trans	-62.4	-42.9	174.9	-21.6	33.5	0	0	0	114.1	S381 R382 S388 M421 E423 V426 F427	S381-P384 WeakPolarHBondContact O-CD 3.26Å; R382-P384 VanDerWaalsContact C-N 3.3Å; P384-S388 WeakPolarHBondContact O-CB 3.5Å; P384-S388 PolarHBondContact O-N 3.45Å; P384-M421 HydrophobicContact CB-CE 4.28Å; P384-M421 HydrophobicContact CB-SD 3.7Å; P384-M421 HydrophobicContact CG-CE 4.24Å; P384-M421 HydrophobicContact CG-CG 4.37Å; P384-M421 HydrophobicContact CG-SD 3.68Å; P384-E423 HydrophobicContact CG-CB 4.39Å; P384-V426 HydrophobicContact CB-CB 4.09Å; P384-V426 HydrophobicContact CB-CG1 3.9Å; P384-V426 HydrophobicContact CG-CB 4.27Å; P384-V426 HydrophobicContact CG-CG1 4.21Å; P384-F427 HydrophobicContact CB-CB 3.99Å; P384-F427 WeakPolarHBondContact O-CD2 3.37Å
385	E	92.5	Very high	92.5	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.019	12%	0.122	C	C	.	.	H	α-helix	trans	-63.7	-46.7	176.4	-176	-172.2	174.2	0	0	110.2	R382 S388 L389 Y430 R687	R382-E385 WeakPolarHBondContact O-CB 3.34Å; R382-E385 PolarHBondContact O-N 3.37Å; E385-S388 WeakPolarHBondContact O-CB 3.45Å; E385-S388 PolarHBondContact O-N 3.27Å; E385-L389 HydrophobicContact CG-CD1 3.97Å; E385-L389 HydrophobicContact CG-CG 4.48Å; E385-L389 WeakPolarHBondContact O-CG 3.3Å; E385-L389 PolarHBondContact O-N 2.89Å; E385-Y430 HydrophobicContact CB-CD1 4.47Å; E385-Y430 HydrophobicContact CB-CD2 3.85Å; E385-Y430 HydrophobicContact CB-CE1 4.38Å; E385-Y430 HydrophobicContact CB-CE2 3.74Å; E385-Y430 HydrophobicContact CB-CG 4.23Å; E385-Y430 HydrophobicContact CG-CD1 4.06Å; E385-Y430 HydrophobicContact CG-CD2 4.33Å; E385-Y430 HydrophobicContact CG-CE1 3.95Å; E385-Y430 HydrophobicContact CG-CE2 4.23Å; E385-Y430 HydrophobicContact CG-CG 4.26Å; E385-R687 IonicContact OE1-CZ 3.51Å; E385-R687 IonicContact OE1-NE 3.25Å; E385-R687 PolarHBondContact OE1-NE 3.26Å; E385-R687 IonicContact OE1-NH2 2.81Å; E385-R687 PolarHBondContact OE1-NH2 2.93Å; E385-R687 IonicContact OE2-CZ 3.88Å; E385-R687 IonicContact OE2-NE 2.88Å; E385-R687 PolarHBondContact OE2-NE 3.08Å; E385-R687 IonicContact OE2-NH2 2.64Å
386	Y	93.4	Very high	92	Very high	18 Å²	18	23.3 Å²	23.3	7%	0.071	12%	0.119	C	C	.	.	H	α-helix	trans	-66.4	-41.3	-176.1	-69.7	-6.9	0	0	0	112.7	P337 Y340 R382 S383 S388 L389 F390	P337-Y386 HydrophobicContact CB-CD1 3.76Å; P337-Y386 HydrophobicContact CB-CE1 4.36Å; P337-Y386 HydrophobicContact CB-CG 3.99Å; P337-Y386 HydrophobicContact CG-CD1 3.72Å; P337-Y386 HydrophobicContact CG-CE1 3.87Å; P337-Y386 HydrophobicContact CG-CG 4.39Å; Y340-Y386 AromaticContact CD1-CD2 3.79Å; Y340-Y386 HydrophobicContact CD1-CD2 3.79Å; Y340-Y386 HydrophobicContact CD1-CG 4.49Å; Y340-Y386 AromaticContact CD2-CD2 3.93Å; Y340-Y386 HydrophobicContact CD2-CD2 3.93Å; Y340-Y386 HydrophobicContact CD2-CE2 4.15Å; Y340-Y386 HydrophobicContact CE1-CD2 4.09Å; Y340-Y386 HydrophobicContact CE2-CD2 4.18Å; Y340-Y386 HydrophobicContact CE2-CE2 4.41Å; Y340-Y386 AromaticContact CG-CD2 3.72Å; Y340-Y386 HydrophobicContact CG-CD2 3.72Å; Y340-Y386 HydrophobicContact CG-CE2 4.32Å; R382-Y386 HydrophobicContact CB-CD1 4.37Å; R382-Y386 HydrophobicContact CB-CD2 4.25Å; R382-Y386 HydrophobicContact CB-CE1 4.11Å; R382-Y386 HydrophobicContact CB-CE2 3.96Å; R382-Y386 HydrophobicContact CB-CG 4.46Å; R382-Y386 WeakPolarHBondContact CD-OH 3.44Å; R382-Y386 PolarHBondContact O-N 3.35Å; S383-Y386 PolarHBondContact O-N 3.24Å; Y386-S388 VanDerWaalsContact C-N 3.29Å; Y386-S388 PolarHBondContact O-N 2.96Å; Y386-L389 HydrophobicContact CD1-CD1 4.49Å; Y386-L389 PolarHBondContact O-N 3.29Å; Y386-F390 WeakPolarHBondContact O-CB 3.36Å; Y386-F390 PolarHBondContact O-N 2.95Å
387	L	95.7	Very high	90.9	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-62	-40.9	173.6	-175.6	60.5	0	0	0	111.2	I341 S383 F390 I391 A414 F418 M421 F427	I341-L387 HydrophobicContact CD1-CB 3.93Å; I341-L387 HydrophobicContact CD1-CD1 4.11Å; I341-L387 HydrophobicContact CG2-CD1 4.11Å; S383-L387 WeakPolarHBondContact O-CB 3.43Å; S383-L387 PolarHBondContact O-N 2.95Å; L387-F390 PolarHBondContact O-N 3.15Å; L387-I391 HydrophobicContact CD1-CD1 4.27Å; L387-I391 HydrophobicContact CG-CD1 4.12Å; L387-I391 VanDerWaalsContact O-CG1 3.32Å; L387-I391 WeakPolarHBondContact O-CG1 3.29Å; L387-I391 PolarHBondContact O-N 3.37Å; L387-A414 HydrophobicContact CD1-CB 4.09Å; L387-F418 HydrophobicContact CD2-CB 3.92Å; L387-F418 HydrophobicContact CD2-CD2 4.35Å; L387-M421 HydrophobicContact CB-CE 4.13Å; L387-M421 HydrophobicContact CD2-CE 3.71Å; L387-F427 HydrophobicContact CB-CD2 4.24Å; L387-F427 HydrophobicContact CB-CE2 4.2Å; L387-F427 HydrophobicContact CD2-CD2 4.2Å; L387-F427 HydrophobicContact CD2-CE2 4.08Å; L387-F427 HydrophobicContact CG-CD2 4.27Å; L387-F427 HydrophobicContact CG-CE2 3.87Å
388	S	94.9	Very high	89.3	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.1	-41.5	176.6	-176.7	0	0	0	0	112.6	P384 E385 Y386 I391 D392 Y430 Y431 H434	P384-S388 WeakPolarHBondContact O-CB 3.5Å; P384-S388 PolarHBondContact O-N 3.45Å; E385-S388 WeakPolarHBondContact O-CB 3.45Å; E385-S388 PolarHBondContact O-N 3.27Å; Y386-S388 VanDerWaalsContact C-N 3.29Å; Y386-S388 PolarHBondContact O-N 2.96Å; S388-I391 PolarHBondContact O-N 3.44Å; S388-D392 VanDerWaalsContact O-CB 3.3Å; S388-D392 WeakPolarHBondContact O-CB 3.41Å; S388-D392 PolarHBondContact O-N 3Å; S388-Y430 VanDerWaalsContact OG-C 3.29Å; S388-Y431 WeakPolarHBondContact OG-CA 3.48Å; S388-Y431 PolarHBondContact OG-N 2.85Å; S388-H434 PolarHBondContact OG-ND1 3.49Å
389	L	92.4	Very high	87.7	Confident	20 Å²	20	32.7 Å²	32.7	11%	0.105	18%	0.184	C	C	.	.	H	α-helix	trans	-66.8	-38.9	175.6	-75.6	170.4	0	0	0	112.3	P337 E385 Y386 D392 D393 H434	P337-L389 HydrophobicContact CB-CB 3.95Å; P337-L389 HydrophobicContact CB-CD1 4.08Å; P337-L389 HydrophobicContact CG-CB 4.44Å; P337-L389 HydrophobicContact CG-CD1 3.71Å; E385-L389 HydrophobicContact CG-CD1 3.97Å; E385-L389 HydrophobicContact CG-CG 4.48Å; E385-L389 WeakPolarHBondContact O-CG 3.3Å; E385-L389 PolarHBondContact O-N 2.89Å; Y386-L389 HydrophobicContact CD1-CD1 4.49Å; Y386-L389 PolarHBondContact O-N 3.29Å; L389-D392 PolarHBondContact O-N 2.95Å; L389-D393 WeakPolarHBondContact O-CB 3.34Å; L389-D393 PolarHBondContact O-N 2.81Å; L389-H434 WeakPolarHBondContact CD2-CE1 3.25Å
390	F	93.1	Very high	86.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-47.4	174.4	176.1	-93.1	0	0	0	111	V338 I341 L345 Y386 L387 D393 K394 I410 A414	V338-F390 HydrophobicContact CB-CD2 4.46Å; V338-F390 HydrophobicContact CG1-CD2 4.05Å; V338-F390 HydrophobicContact CG1-CE2 4.25Å; I341-F390 HydrophobicContact CB-CB 3.98Å; I341-F390 HydrophobicContact CB-CD1 4.46Å; I341-F390 HydrophobicContact CB-CD2 3.81Å; I341-F390 HydrophobicContact CB-CE2 4.4Å; I341-F390 HydrophobicContact CB-CG 3.84Å; I341-F390 HydrophobicContact CG1-CB 3.91Å; I341-F390 HydrophobicContact CG1-CG 4.33Å; I341-F390 HydrophobicContact CG2-CB 4.07Å; I341-F390 HydrophobicContact CG2-CD1 3.72Å; I341-F390 HydrophobicContact CG2-CD2 3.83Å; I341-F390 HydrophobicContact CG2-CE1 4.05Å; I341-F390 HydrophobicContact CG2-CE2 4.14Å; I341-F390 HydrophobicContact CG2-CG 3.6Å; I341-F390 HydrophobicContact CG2-CZ 4.25Å; L345-F390 HydrophobicContact CD1-CE1 4.12Å; L345-F390 HydrophobicContact CD1-CZ 3.86Å; Y386-F390 WeakPolarHBondContact O-CB 3.36Å; Y386-F390 PolarHBondContact O-N 2.95Å; L387-F390 PolarHBondContact O-N 3.15Å; F390-D393 WeakPolarHBondContact O-CB 3.48Å; F390-D393 PolarHBondContact O-N 2.86Å; F390-K394 HydrophobicContact CE1-CG 4.25Å; F390-K394 HydrophobicContact CZ-CG 4.38Å; F390-K394 WeakPolarHBondContact O-CG 3.42Å; F390-K394 PolarHBondContact O-N 2.83Å; F390-K394 VanDerWaalsContact O-N 3.1Å; F390-I410 HydrophobicContact CE1-CG2 3.63Å; F390-I410 HydrophobicContact CZ-CG2 3.74Å; F390-A414 HydrophobicContact CE1-CB 4.39Å
391	I	93.9	Very high	85.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.9	-40.2	177.2	-64	163.7	0	0	0	111	L387 S388 D393 K394 L395 L411 A414 F427 Y431 M453	L387-I391 HydrophobicContact CD1-CD1 4.27Å; L387-I391 HydrophobicContact CG-CD1 4.12Å; L387-I391 VanDerWaalsContact O-CG1 3.32Å; L387-I391 WeakPolarHBondContact O-CG1 3.29Å; L387-I391 PolarHBondContact O-N 3.37Å; S388-I391 PolarHBondContact O-N 3.44Å; I391-D393 VanDerWaalsContact C-N 3.3Å; I391-D393 PolarHBondContact O-N 2.96Å; I391-K394 PolarHBondContact O-N 3.03Å; I391-L395 HydrophobicContact CG2-CD1 3.66Å; I391-L395 HydrophobicContact CG2-CG 4.35Å; I391-L395 WeakPolarHBondContact O-CB 3.41Å; I391-L395 WeakPolarHBondContact O-CG 3.41Å; I391-L395 PolarHBondContact O-N 3.14Å; I391-L395 VanDerWaalsContact O-N 3.08Å; I391-L411 HydrophobicContact CG1-CD2 4.46Å; I391-L411 HydrophobicContact CG2-CD2 3.91Å; I391-A414 HydrophobicContact CD1-CB 4.35Å; I391-A414 HydrophobicContact CG1-CB 4.23Å; I391-F427 HydrophobicContact CD1-CE2 3.96Å; I391-F427 HydrophobicContact CD1-CZ 3.85Å; I391-Y431 HydrophobicContact CG2-CE2 3.82Å; I391-M453 HydrophobicContact CD1-CE 3.73Å; I391-M453 HydrophobicContact CG2-CE 4.47Å; I391-M453 HydrophobicContact CG2-CG 4.38Å; I391-M453 HydrophobicContact CG2-SD 4.4Å
392	D	91.1	Very high	84.5	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-38	174.4	-179.6	60.6	0	0	0	112.3	S388 L389 K396 H434 R437 R438	S388-D392 VanDerWaalsContact O-CB 3.3Å; S388-D392 WeakPolarHBondContact O-CB 3.41Å; S388-D392 PolarHBondContact O-N 3Å; L389-D392 PolarHBondContact O-N 2.95Å; D392-K396 VanDerWaalsContact O-CD 3.32Å; D392-K396 WeakPolarHBondContact O-CD 3.42Å; D392-K396 VanDerWaalsContact O-CG 3.23Å; D392-K396 WeakPolarHBondContact O-CG 3.49Å; D392-K396 PolarHBondContact O-N 2.8Å; D392-K396 WeakPolarHBondContact OD2-CE 3.18Å; D392-K396 IonicContact OD2-NZ 3.14Å; D392-K396 PolarHBondContact OD2-NZ 3.33Å; D392-H434 HydrophobicContact CB-CB 3.96Å; D392-R437 IonicContact OD1-NH2 2.74Å; D392-R437 IonicContact OD2-CZ 2.88Å; D392-R437 IonicContact OD2-NH2 3.54Å; D392-R437 PolarHBondContact OD2-NH2 3.13Å; D392-R438 VanDerWaalsContact OD1-CD 3.26Å; D392-R438 WeakPolarHBondContact OD1-CD 3.35Å; D392-R438 WeakPolarHBondContact OD1-CG 3.43Å; D392-R438 IonicContact OD1-CZ 3.82Å; D392-R438 IonicContact OD1-NE 3.73Å; D392-R438 IonicContact OD1-NH1 3.99Å; D392-R438 PolarHBondContact OD1-NH1 2.93Å
393	D	89.1	Confident	84.3	Confident	52 Å²	52	41 Å²	41	28%	0.278	24%	0.242	S	C	.	.	H	α-helix	trans	-61.3	-53.4	172.9	-174.9	68.4	0	0	0	110.3	V338 L389 F390 I391 L395 K396 V399	V338-D393 HydrophobicContact CG2-CB 4.21Å; L389-D393 WeakPolarHBondContact O-CB 3.34Å; L389-D393 PolarHBondContact O-N 2.81Å; F390-D393 WeakPolarHBondContact O-CB 3.48Å; F390-D393 PolarHBondContact O-N 2.86Å; I391-D393 VanDerWaalsContact C-N 3.3Å; I391-D393 PolarHBondContact O-N 2.96Å; D393-L395 PolarHBondContact O-N 2.79Å; D393-K396 PolarHBondContact O-N 3.24Å; D393-V399 WeakPolarHBondContact O-CG2 3.38Å
394	K	88.4	Confident	83.7	Confident	31 Å²	31	47.2 Å²	47.2	14%	0.135	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-22.8	-177.1	-58.4	-49.7	177.8	-161.8	0	114.8	F390 I391 I410	F390-K394 HydrophobicContact CE1-CG 4.25Å; F390-K394 HydrophobicContact CZ-CG 4.38Å; F390-K394 WeakPolarHBondContact O-CG 3.42Å; F390-K394 PolarHBondContact O-N 2.83Å; F390-K394 VanDerWaalsContact O-N 3.1Å; I391-K394 PolarHBondContact O-N 3.03Å; K394-I410 HydrophobicContact CG-CG2 4.07Å
395	L	89.5	Confident	83.3	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.01	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	3.2	-179.5	-68.1	173.9	0	0	0	114.4	I391 D393 V407 L411 S444 V445	I391-L395 HydrophobicContact CG2-CD1 3.66Å; I391-L395 HydrophobicContact CG2-CG 4.35Å; I391-L395 WeakPolarHBondContact O-CB 3.41Å; I391-L395 WeakPolarHBondContact O-CG 3.41Å; I391-L395 PolarHBondContact O-N 3.14Å; I391-L395 VanDerWaalsContact O-N 3.08Å; D393-L395 PolarHBondContact O-N 2.79Å; L395-V407 HydrophobicContact CD2-CG1 4.34Å; L395-L411 HydrophobicContact CD2-CD1 4.24Å; L395-S444 WeakPolarHBondContact O-CA 3.28Å; L395-V445 WeakPolarHBondContact O-CG2 3.25Å; L395-V445 PolarHBondContact O-N 2.87Å
396	K	86.5	Confident	83.1	Confident	65 Å²	65	58.6 Å²	58.6	28%	0.283	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-88.1	138.2	178.6	-84.7	163	176.8	162.4	0	113.8	D392 D393 G398 V399 R438 K443 V445	D392-K396 VanDerWaalsContact O-CD 3.32Å; D392-K396 WeakPolarHBondContact O-CD 3.42Å; D392-K396 VanDerWaalsContact O-CG 3.23Å; D392-K396 WeakPolarHBondContact O-CG 3.49Å; D392-K396 PolarHBondContact O-N 2.8Å; D392-K396 WeakPolarHBondContact OD2-CE 3.18Å; D392-K396 IonicContact OD2-NZ 3.14Å; D392-K396 PolarHBondContact OD2-NZ 3.33Å; D393-K396 PolarHBondContact O-N 3.24Å; K396-G398 PolarHBondContact O-N 3.44Å; K396-V399 HydrophobicContact CB-CG2 4.26Å; K396-V399 WeakPolarHBondContact O-CG2 3.41Å; K396-V399 PolarHBondContact O-N 2.96Å; K396-R438 HydrophobicContact CG-CG 4.46Å; K396-K443 CarbonylContact C-O 3.58Å; K396-K443 WeakPolarHBondContact CA-O 3.27Å; K396-V445 WeakPolarHBondContact O-CG2 3.37Å
397	K	71.5	Confident	82.7	Confident	118 Å²	118	58.4 Å²	58.4	51%	0.513	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	129	170	-72.3	-176.1	-172.7	173.3	0	110.2	N442 K443 S444	K397-N442 PolarHBondContact NZ-O 3.41Å; K397-N442 PolarHBondContact NZ-OD1 3.49Å; K397-K443 PolarHBondContact N-O 3.38Å; K397-S444 WeakPolarHBondContact CE-O 3.43Å; K397-S444 VanDerWaalsContact CG-O 3.25Å; K397-S444 WeakPolarHBondContact CG-O 3.41Å
398	G	61.3	Low	82.4	Confident	80 Å²	80	62 Å²	62	83%	0.825	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.1	5.3	177.1	0	0	0	0	0	115.3	K396 K400	K396-G398 PolarHBondContact O-N 3.44Å; G398-K400 PolarHBondContact O-N 2.95Å
399	V	59.8	Low	82.2	Confident	44 Å²	44	64.8 Å²	64.8	27%	0.267	36%	0.36	S	S	.	.			trans	-67.5	124	164.5	-179.4	0	0	0	0	107.6	D393 K396 G401 L402	D393-V399 WeakPolarHBondContact O-CG2 3.38Å; K396-V399 HydrophobicContact CB-CG2 4.26Å; K396-V399 WeakPolarHBondContact O-CG2 3.41Å; K396-V399 PolarHBondContact O-N 2.96Å; V399-G401 PolarHBondContact O-N 3.03Å; V399-L402 HydrophobicContact CG1-CD1 4.27Å
400	K	63.6	Low	82.1	Confident	193 Å²	193	65.4 Å²	65.4	84%	0.839	36%	0.363	S	S	*	.	S	Bend	trans	-49.4	122.3	-170.7	-68.1	175.6	174.4	178.9	0	112.6	G398 L402	G398-K400 PolarHBondContact O-N 2.95Å; K400-L402 PolarHBondContact O-N 2.96Å
401	G	64.9	Low	82.1	Confident	84 Å²	84	65.5 Å²	65.5	87%	0.866	36%	0.364	S	S	*	.	S	Bend	trans	58.5	-0.2	148.4	0	0	0	0	0	120.3	V399	V399-G401 PolarHBondContact O-N 3.03Å
402	L	76.6	Confident	82.1	Confident	70 Å²	70	69 Å²	69	37%	0.366	38%	0.382	S	S	.	.			trans	-74.8	136.2	-179.4	-66.7	172.5	0	0	0	110.8	V399 K400 E406 V407 I410	V399-L402 HydrophobicContact CG1-CD1 4.27Å; K400-L402 PolarHBondContact O-N 2.96Å; L402-E406 WeakPolarHBondContact CA-OE2 3.44Å; L402-E406 HydrophobicContact CD2-CB 4.15Å; L402-V407 HydrophobicContact CB-CG2 4.08Å; L402-I410 HydrophobicContact CD1-CD1 4.17Å
403	T	83.7	Confident	82.2	Confident	74 Å²	74	73.7 Å²	73.7	45%	0.454	40%	0.402	S	S	.	.			trans	-73.9	158.1	170.2	62.6	0	0	0	0	110.9	Q405 E406 V407	T403-Q405 PolarHBondContact O-N 3.35Å; T403-E406 PolarHBondContact N-OE2 2.87Å; T403-E406 PolarHBondContact O-N 3.36Å; T403-E406 VanDerWaalsContact O-N 3.16Å; T403-E406 VanDerWaalsContact OG1-CG 3.26Å; T403-E406 WeakPolarHBondContact OG1-CG 3.45Å; T403-E406 PolarHBondContact OG1-N 3.25Å; T403-E406 PolarHBondContact OG1-OE2 3.06Å; T403-V407 WeakPolarHBondContact O-CG2 3.49Å; T403-V407 PolarHBondContact O-N 3.03Å; T403-V407 VanDerWaalsContact O-N 3.09Å
404	E	81.3	Confident	82.5	Confident	130 Å²	130	71.2 Å²	71.2	61%	0.607	39%	0.389	S	S	*	.	H	α-helix	trans	-58	-35	176.8	-67.3	-173.4	158.3	0	0	112.4	V407 E408	E404-V407 PolarHBondContact O-N 2.88Å; E404-E408 PolarHBondContact O-N 3.42Å
405	Q	86.8	Confident	82.8	Confident	159 Å²	159	70 Å²	70	74%	0.743	38%	0.384	S	S	*	.	H	α-helix	trans	-66.6	-40.1	177.1	-68.7	-179.2	-5.8	0	0	112.6	T403 E408 S409	T403-Q405 PolarHBondContact O-N 3.35Å; Q405-E408 PolarHBondContact O-N 3.37Å; Q405-S409 PolarHBondContact O-N 2.9Å
406	E	86.8	Confident	83.1	Confident	90 Å²	90	71.3 Å²	71.3	42%	0.421	39%	0.392	S	S	.	.	H	α-helix	trans	-66.8	-40.1	176	-72.4	166.6	135.4	0	0	111.1	L402 T403 E408 S409 I410	L402-E406 WeakPolarHBondContact CA-OE2 3.44Å; L402-E406 HydrophobicContact CD2-CB 4.15Å; T403-E406 PolarHBondContact N-OE2 2.87Å; T403-E406 PolarHBondContact O-N 3.36Å; T403-E406 VanDerWaalsContact O-N 3.16Å; T403-E406 VanDerWaalsContact OG1-CG 3.26Å; T403-E406 WeakPolarHBondContact OG1-CG 3.45Å; T403-E406 PolarHBondContact OG1-N 3.25Å; T403-E406 PolarHBondContact OG1-OE2 3.06Å; E406-E408 VanDerWaalsContact C-N 3.34Å; E406-S409 PolarHBondContact O-N 3.42Å; E406-I410 WeakPolarHBondContact O-CD1 3.19Å; E406-I410 VanDerWaalsContact O-CG1 3.26Å; E406-I410 WeakPolarHBondContact O-CG1 3.23Å; E406-I410 PolarHBondContact O-N 3.36Å
407	V	85.9	Confident	83.5	Confident	13 Å²	13	68.2 Å²	68.2	8%	0.079	38%	0.379	C	S	.	.	H	α-helix	trans	-60.2	-46.8	174	176.7	0	0	0	0	109.9	L395 L402 T403 E404 S409 I410 L411	L395-V407 HydrophobicContact CD2-CG1 4.34Å; L402-V407 HydrophobicContact CB-CG2 4.08Å; T403-V407 WeakPolarHBondContact O-CG2 3.49Å; T403-V407 PolarHBondContact O-N 3.03Å; T403-V407 VanDerWaalsContact O-N 3.09Å; E404-V407 PolarHBondContact O-N 2.88Å; V407-S409 PolarHBondContact O-N 3.31Å; V407-I410 PolarHBondContact O-N 2.88Å; V407-L411 HydrophobicContact CG1-CD1 4.21Å; V407-L411 HydrophobicContact CG1-CG 4.33Å; V407-L411 WeakPolarHBondContact O-CG 3.42Å; V407-L411 PolarHBondContact O-N 2.89Å
408	E	88.9	Confident	84.7	Confident	78 Å²	78	62.7 Å²	62.7	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-58.8	-46.5	178.1	-178.1	163.1	-146.2	0	0	112.5	E404 Q405 E406 I410 L411 D412 N452 K456	E404-E408 PolarHBondContact O-N 3.42Å; Q405-E408 PolarHBondContact O-N 3.37Å; E406-E408 VanDerWaalsContact C-N 3.34Å; E408-I410 VanDerWaalsContact C-N 3.28Å; E408-I410 PolarHBondContact O-N 2.74Å; E408-L411 PolarHBondContact O-N 3.35Å; E408-L411 VanDerWaalsContact O-N 3.1Å; E408-D412 PolarHBondContact O-N 3Å; E408-N452 PolarHBondContact OE1-ND2 2.91Å; E408-K456 IonicContact OE1-NZ 2.68Å
409	S	91.4	Very high	86.3	Confident	57 Å²	57	64.4 Å²	64.4	40%	0.399	34%	0.336	S	S	.	.	H	α-helix	trans	-58.5	-39.8	176.2	-175.5	0	0	0	0	112.5	Q405 E406 V407 D412 K413	Q405-S409 PolarHBondContact O-N 2.9Å; E406-S409 PolarHBondContact O-N 3.42Å; V407-S409 PolarHBondContact O-N 3.31Å; S409-D412 PolarHBondContact O-N 3.37Å; S409-K413 WeakPolarHBondContact O-CG 3.35Å; S409-K413 PolarHBondContact O-N 3.08Å; S409-K413 VanDerWaalsContact O-N 3.14Å
410	I	90.1	Very high	88	Confident	33 Å²	33	63.5 Å²	63.5	17%	0.169	33%	0.329	C	S	.	.	H	α-helix	trans	-66.9	-41.1	176	-67.6	164.9	0	0	0	110.9	F390 K394 L402 E406 V407 E408 K413 A414	F390-I410 HydrophobicContact CE1-CG2 3.63Å; F390-I410 HydrophobicContact CZ-CG2 3.74Å; K394-I410 HydrophobicContact CG-CG2 4.07Å; L402-I410 HydrophobicContact CD1-CD1 4.17Å; E406-I410 WeakPolarHBondContact O-CD1 3.19Å; E406-I410 VanDerWaalsContact O-CG1 3.26Å; E406-I410 WeakPolarHBondContact O-CG1 3.23Å; E406-I410 PolarHBondContact O-N 3.36Å; V407-I410 PolarHBondContact O-N 2.88Å; E408-I410 VanDerWaalsContact C-N 3.28Å; E408-I410 PolarHBondContact O-N 2.74Å; I410-K413 PolarHBondContact O-N 3.35Å; I410-A414 WeakPolarHBondContact O-CB 3.39Å; I410-A414 PolarHBondContact O-N 3.33Å
411	L	92.1	Very high	89.5	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-64.5	-40.4	177.3	-65.2	179	0	0	0	111.6	I391 L395 V407 E408 K413 A414 M415 M453	I391-L411 HydrophobicContact CG1-CD2 4.46Å; I391-L411 HydrophobicContact CG2-CD2 3.91Å; L395-L411 HydrophobicContact CD2-CD1 4.24Å; V407-L411 HydrophobicContact CG1-CD1 4.21Å; V407-L411 HydrophobicContact CG1-CG 4.33Å; V407-L411 WeakPolarHBondContact O-CG 3.42Å; V407-L411 PolarHBondContact O-N 2.89Å; E408-L411 PolarHBondContact O-N 3.35Å; E408-L411 VanDerWaalsContact O-N 3.1Å; L411-K413 VanDerWaalsContact C-N 3.34Å; L411-K413 PolarHBondContact O-N 2.9Å; L411-A414 PolarHBondContact O-N 2.66Å; L411-M415 VanDerWaalsContact O-CG 3.31Å; L411-M415 WeakPolarHBondContact O-CG 3.4Å; L411-M415 PolarHBondContact O-N 3.36Å; L411-M453 HydrophobicContact CB-SD 4.22Å; L411-M453 HydrophobicContact CD1-CB 4.35Å; L411-M453 HydrophobicContact CD1-SD 4.24Å; L411-M453 HydrophobicContact CD2-SD 3.9Å; L411-M453 HydrophobicContact CG-SD 4.33Å
412	D	94.3	Very high	90.8	Very high	73 Å²	73	53.9 Å²	53.9	39%	0.39	26%	0.264	S	S	.	.	H	α-helix	trans	-61.1	-43.3	175.1	-78.6	-31.2	0	0	0	112.1	E408 S409 M415 V416 K456	E408-D412 PolarHBondContact O-N 3Å; S409-D412 PolarHBondContact O-N 3.37Å; D412-M415 PolarHBondContact O-N 3.14Å; D412-V416 PolarHBondContact O-N 2.94Å; D412-K456 WeakPolarHBondContact OD1-CD 3.47Å; D412-K456 WeakPolarHBondContact OD1-CE 3.31Å; D412-K456 IonicContact OD1-NZ 2.64Å; D412-K456 PolarHBondContact OD1-NZ 3.49Å; D412-K456 IonicContact OD2-NZ 2.99Å
413	K	93.8	Very high	91.6	Very high	98 Å²	98	52.5 Å²	52.5	43%	0.426	26%	0.256	S	S	.	.	H	α-helix	trans	-63.3	-42.5	174.3	-73.1	178	-177.9	-178.8	0	111.9	L345 S409 I410 L411 M415 V416 L417	L345-K413 HydrophobicContact CD1-CB 4.43Å; L345-K413 HydrophobicContact CD2-CB 3.93Å; L345-K413 WeakPolarHBondContact CD2-O 3.5Å; S409-K413 WeakPolarHBondContact O-CG 3.35Å; S409-K413 PolarHBondContact O-N 3.08Å; S409-K413 VanDerWaalsContact O-N 3.14Å; I410-K413 PolarHBondContact O-N 3.35Å; L411-K413 VanDerWaalsContact C-N 3.34Å; L411-K413 PolarHBondContact O-N 2.9Å; K413-M415 VanDerWaalsContact C-N 3.28Å; K413-M415 PolarHBondContact O-N 3.25Å; K413-V416 WeakPolarHBondContact O-CB 3.21Å; K413-V416 PolarHBondContact O-N 2.9Å; K413-V416 VanDerWaalsContact O-N 3.15Å; K413-L417 PolarHBondContact O-N 2.68Å
414	A	95.2	Very high	92.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-36.6	175.6	0	0	0	0	0	112	L387 F390 I391 I410 L411 V416 L417 F418	L387-A414 HydrophobicContact CD1-CB 4.09Å; F390-A414 HydrophobicContact CE1-CB 4.39Å; I391-A414 HydrophobicContact CD1-CB 4.35Å; I391-A414 HydrophobicContact CG1-CB 4.23Å; I410-A414 WeakPolarHBondContact O-CB 3.39Å; I410-A414 PolarHBondContact O-N 3.33Å; L411-A414 PolarHBondContact O-N 2.66Å; A414-V416 VanDerWaalsContact C-N 3.29Å; A414-V416 PolarHBondContact O-N 3.48Å; A414-L417 PolarHBondContact O-N 3.26Å; A414-L417 VanDerWaalsContact O-N 3.16Å; A414-F418 PolarHBondContact O-N 3.33Å
415	M	95.8	Very high	92.7	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.025	21%	0.213	C	C	.	.	H	α-helix	trans	-66.7	-28.2	175.9	-73.4	-56.3	-59.2	0	0	113.1	L411 D412 K413 F418 R419 M453 K456 L457 E460	L411-M415 VanDerWaalsContact O-CG 3.31Å; L411-M415 WeakPolarHBondContact O-CG 3.4Å; L411-M415 PolarHBondContact O-N 3.36Å; D412-M415 PolarHBondContact O-N 3.14Å; K413-M415 VanDerWaalsContact C-N 3.28Å; K413-M415 PolarHBondContact O-N 3.25Å; M415-F418 HydrophobicContact CE-CB 4.3Å; M415-F418 HydrophobicContact CE-CD1 3.46Å; M415-F418 VanDerWaalsContact CE-CD1 3.46Å; M415-F418 HydrophobicContact CE-CE1 4.05Å; M415-F418 HydrophobicContact CE-CG 4.1Å; M415-F418 WeakPolarHBondContact O-CB 3.46Å; M415-F418 PolarHBondContact O-N 3.3Å; M415-F418 HydrophobicContact SD-CB 4.22Å; M415-F418 HydrophobicContact SD-CD1 4.27Å; M415-F418 HydrophobicContact SD-CG 4.34Å; M415-R419 WeakPolarHBondContact O-CG 3.37Å; M415-R419 PolarHBondContact O-N 2.92Å; M415-M453 HydrophobicContact CG-CE 4.22Å; M415-M453 HydrophobicContact SD-CE 3.36Å; M415-M453 WeakPolarHBondContact SD-CE 3.25Å; M415-M453 HydrophobicContact SD-SD 4.38Å; M415-K456 HydrophobicContact CE-CB 4.33Å; M415-K456 HydrophobicContact CG-CB 4.07Å; M415-K456 HydrophobicContact CG-CD 4.03Å; M415-K456 HydrophobicContact SD-CB 4.36Å; M415-L457 HydrophobicContact CE-CD2 4.04Å; M415-L457 HydrophobicContact SD-CD2 3.96Å; M415-E460 HydrophobicContact CE-CB 4.31Å; M415-E460 HydrophobicContact CE-CG 3.56Å
416	V	94.6	Very high	93.1	Very high	30 Å²	30	37 Å²	37	18%	0.182	18%	0.179	C	C	.	.	H	α-helix	trans	-62.5	-44	170.7	176.4	0	0	0	0	110.7	D412 K413 A414 R419 F420	D412-V416 PolarHBondContact O-N 2.94Å; K413-V416 WeakPolarHBondContact O-CB 3.21Å; K413-V416 PolarHBondContact O-N 2.9Å; K413-V416 VanDerWaalsContact O-N 3.15Å; A414-V416 VanDerWaalsContact C-N 3.29Å; A414-V416 PolarHBondContact O-N 3.48Å; V416-R419 PolarHBondContact O-N 3.48Å; V416-F420 HydrophobicContact CG1-CE2 3.71Å; V416-F420 HydrophobicContact CG1-CZ 4.06Å; V416-F420 VanDerWaalsContact O-CD2 3.31Å; V416-F420 WeakPolarHBondContact O-CD2 3.49Å
417	L	96.1	Very high	93.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-66.7	-39.3	174.9	-63.6	-177.6	0	0	0	111.9	I341 L344 L345 F373 L377 K413 A414 R419 F420 M421	I341-L417 HydrophobicContact CG2-CD1 4.04Å; L344-L417 HydrophobicContact CB-CD1 3.93Å; L344-L417 HydrophobicContact CB-CD2 4.36Å; L345-L417 HydrophobicContact CD2-CD1 3.47Å; L345-L417 VanDerWaalsContact CD2-CD1 3.47Å; L345-L417 HydrophobicContact CD2-CD2 4.5Å; L345-L417 HydrophobicContact CD2-CG 3.72Å; L345-L417 HydrophobicContact CG-CD1 3.88Å; F373-L417 HydrophobicContact CD1-CD2 4.12Å; F373-L417 HydrophobicContact CE1-CD2 4.36Å; L377-L417 WeakPolarHBondContact CD2-O 3.31Å; K413-L417 PolarHBondContact O-N 2.68Å; A414-L417 PolarHBondContact O-N 3.26Å; A414-L417 VanDerWaalsContact O-N 3.16Å; L417-R419 PolarHBondContact O-N 3.06Å; L417-F420 HydrophobicContact CD2-CD2 4.43Å; L417-F420 PolarHBondContact O-N 2.85Å; L417-F420 VanDerWaalsContact O-N 3.11Å; L417-M421 PolarHBondContact O-N 2.87Å
418	F	96.5	Very high	93.9	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-56.5	-38.9	174.9	177.5	-101.6	0	0	0	112.3	L387 A414 M415 F420 M421 K424 F427 L457 E460 C461 F465	L387-F418 HydrophobicContact CD2-CB 3.92Å; L387-F418 HydrophobicContact CD2-CD2 4.35Å; A414-F418 PolarHBondContact O-N 3.33Å; M415-F418 HydrophobicContact CE-CB 4.3Å; M415-F418 HydrophobicContact CE-CD1 3.46Å; M415-F418 VanDerWaalsContact CE-CD1 3.46Å; M415-F418 HydrophobicContact CE-CE1 4.05Å; M415-F418 HydrophobicContact CE-CG 4.1Å; M415-F418 WeakPolarHBondContact O-CB 3.46Å; M415-F418 PolarHBondContact O-N 3.3Å; M415-F418 HydrophobicContact SD-CB 4.22Å; M415-F418 HydrophobicContact SD-CD1 4.27Å; M415-F418 HydrophobicContact SD-CG 4.34Å; F418-F420 VanDerWaalsContact C-N 3.29Å; F418-F420 PolarHBondContact O-N 2.82Å; F418-M421 VanDerWaalsContact O-CB 3.25Å; F418-M421 WeakPolarHBondContact O-CB 3.48Å; F418-M421 PolarHBondContact O-N 3.31Å; F418-M421 VanDerWaalsContact O-N 3.09Å; F418-K424 HydrophobicContact CE1-CD 3.88Å; F418-K424 HydrophobicContact CE1-CG 4.45Å; F418-K424 HydrophobicContact CE2-CB 4.03Å; F418-K424 HydrophobicContact CE2-CD 4.25Å; F418-K424 HydrophobicContact CE2-CG 3.93Å; F418-K424 HydrophobicContact CZ-CB 3.96Å; F418-K424 HydrophobicContact CZ-CD 3.65Å; F418-K424 HydrophobicContact CZ-CG 3.84Å; F418-K424 WeakPolarHBondContact O-CE 3.43Å; F418-F427 AromaticContact CD2-CD1 3.91Å; F418-F427 HydrophobicContact CD2-CD1 3.91Å; F418-F427 HydrophobicContact CD2-CD2 4.43Å; F418-F427 HydrophobicContact CD2-CE1 4.1Å; F418-F427 HydrophobicContact CD2-CG 4.09Å; F418-F427 HydrophobicContact CD2-CZ 4.43Å; F418-F427 HydrophobicContact CE2-CB 4.31Å; F418-F427 AromaticContact CE2-CD1 3.43Å; F418-F427 HydrophobicContact CE2-CD1 3.43Å; F418-F427 VanDerWaalsContact CE2-CD1 3.43Å; F418-F427 AromaticContact CE2-CE1 3.86Å; F418-F427 HydrophobicContact CE2-CE1 3.86Å; F418-F427 AromaticContact CE2-CG 3.88Å; F418-F427 HydrophobicContact CE2-CG 3.88Å; F418-F427 HydrophobicContact CZ-CD1 4.42Å; F418-L457 HydrophobicContact CD1-CD2 4.47Å; F418-L457 HydrophobicContact CE1-CD2 4.1Å; F418-L457 HydrophobicContact CE2-CD2 4.2Å; F418-L457 HydrophobicContact CZ-CD2 3.94Å; F418-E460 HydrophobicContact CD1-CB 4.46Å; F418-E460 HydrophobicContact CE1-CB 4.06Å; F418-C461 VanDerWaalsContact CE1-SG 3.58Å; F418-C461 VanDerWaalsContact CZ-SG 3.57Å; F418-F465 HydrophobicContact CZ-CZ 4.2Å
419	R	94.9	Very high	94.1	Very high	116 Å²	116	32 Å²	32	44%	0.438	15%	0.152	S	C	.	.	H	α-helix	trans	-61.3	-36.7	177.1	-77.3	-173	-119.9	124.4	4.6	113	M415 V416 L417 M421 K424 E460	M415-R419 WeakPolarHBondContact O-CG 3.37Å; M415-R419 PolarHBondContact O-N 2.92Å; V416-R419 PolarHBondContact O-N 3.48Å; L417-R419 PolarHBondContact O-N 3.06Å; R419-M421 PolarHBondContact O-N 3.13Å; R419-K424 PolarHBondContact O-NZ 3.36Å; R419-E460 VanDerWaalsContact CD-OE1 3.3Å; R419-E460 WeakPolarHBondContact CD-OE1 3.47Å; R419-E460 VanDerWaalsContact CD-OE2 3.31Å; R419-E460 WeakPolarHBondContact CD-OE2 3.3Å; R419-E460 HydrophobicContact CG-CG 4.4Å; R419-E460 VanDerWaalsContact CG-OE2 3.27Å; R419-E460 WeakPolarHBondContact CG-OE2 3.5Å; R419-E460 IonicContact CZ-OE1 3.29Å; R419-E460 IonicContact NE-OE1 3.59Å; R419-E460 PolarHBondContact NE-OE1 2.89Å; R419-E460 IonicContact NE-OE2 3.84Å
420	F	95	Very high	94.2	Very high	26 Å²	26	30 Å²	30	11%	0.114	14%	0.136	C	C	.	.	H	α-helix	trans	-75.7	-8.9	177.2	-58	-41.9	0	0	0	113.6	K348 A370 F373 E374 L377 N378 V416 L417 F418	K348-F420 HydrophobicContact CD-CE2 4.48Å; A370-F420 HydrophobicContact CB-CE1 3.83Å; A370-F420 HydrophobicContact CB-CZ 4.25Å; F373-F420 HydrophobicContact CB-CD2 3.58Å; F373-F420 HydrophobicContact CB-CE2 3.7Å; F373-F420 HydrophobicContact CB-CG 4.06Å; F373-F420 HydrophobicContact CB-CZ 4.29Å; F373-F420 HydrophobicContact CD1-CD2 4.37Å; F373-F420 HydrophobicContact CD1-CE2 4.37Å; F373-F420 HydrophobicContact CG-CD2 4.25Å; F373-F420 HydrophobicContact CG-CE2 4.09Å; E374-F420 HydrophobicContact CB-CB 4.33Å; L377-F420 HydrophobicContact CD2-CB 3.87Å; N378-F420 PolarHBondContact ND2-O 2.89Å; V416-F420 HydrophobicContact CG1-CE2 3.71Å; V416-F420 HydrophobicContact CG1-CZ 4.06Å; V416-F420 VanDerWaalsContact O-CD2 3.31Å; V416-F420 WeakPolarHBondContact O-CD2 3.49Å; L417-F420 HydrophobicContact CD2-CD2 4.43Å; L417-F420 PolarHBondContact O-N 2.85Å; L417-F420 VanDerWaalsContact O-N 3.11Å; F418-F420 VanDerWaalsContact C-N 3.29Å; F418-F420 PolarHBondContact O-N 2.82Å
421	M	94.1	Very high	94.4	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	13%	0.128	C	C	.	.			trans	-80.1	134.6	-179.8	-167.9	172.3	-71.5	0	0	111.4	L377 P384 L387 L417 F418 R419 K424 F427	L377-M421 HydrophobicContact CD2-CB 4.27Å; P384-M421 HydrophobicContact CB-CE 4.28Å; P384-M421 HydrophobicContact CB-SD 3.7Å; P384-M421 HydrophobicContact CG-CE 4.24Å; P384-M421 HydrophobicContact CG-CG 4.37Å; P384-M421 HydrophobicContact CG-SD 3.68Å; L387-M421 HydrophobicContact CB-CE 4.13Å; L387-M421 HydrophobicContact CD2-CE 3.71Å; L417-M421 PolarHBondContact O-N 2.87Å; F418-M421 VanDerWaalsContact O-CB 3.25Å; F418-M421 WeakPolarHBondContact O-CB 3.48Å; F418-M421 PolarHBondContact O-N 3.31Å; F418-M421 VanDerWaalsContact O-N 3.09Å; R419-M421 PolarHBondContact O-N 3.13Å; M421-K424 PolarHBondContact O-NZ 3.41Å; M421-F427 HydrophobicContact SD-CB 3.94Å
422	Q	92.5	Very high	94.4	Very high	72 Å²	72	29.4 Å²	29.4	34%	0.336	13%	0.132	S	C	.	.	S	Bend	trans	-86.4	-42.9	176	-70.6	177.3	5.3	0	0	112	E374 N378 K424 F733	E374-Q422 PolarHBondContact OE1-NE2 2.86Å; N378-Q422 PolarHBondContact OD1-N 3.36Å; Q422-K424 PolarHBondContact O-N 3.17Å; Q422-K424 VanDerWaalsContact O-N 3.17Å; Q422-F733 WeakPolarHBondContact O-CA 3.37Å
423	E	92.9	Very high	94.2	Very high	41 Å²	41	28 Å²	28	19%	0.192	12%	0.123	C	C	.	.			trans	-89.2	64.3	-178.7	-56.6	-157.5	108.3	0	0	112.6	P384 D425 V426 F427 R691 R698	P384-E423 HydrophobicContact CG-CB 4.39Å; E423-D425 VanDerWaalsContact C-N 3.29Å; E423-D425 PolarHBondContact O-N 2.78Å; E423-V426 HydrophobicContact CB-CB 4.17Å; E423-V426 HydrophobicContact CB-CG2 3.86Å; E423-V426 PolarHBondContact O-N 3.45Å; E423-F427 PolarHBondContact O-N 3.4Å; E423-R691 VanDerWaalsContact CD-NH2 3.3Å; E423-R691 IonicContact OE1-CZ 3.83Å; E423-R691 IonicContact OE1-NH1 2.83Å; E423-R691 IonicContact OE1-NH2 2.66Å; E423-R691 PolarHBondContact OE1-NH2 3.45Å; E423-R691 IonicContact OE2-CZ 3.34Å; E423-R691 VanDerWaalsContact OE2-CZ 3.29Å; E423-R691 IonicContact OE2-NH1 3.99Å; E423-R691 PolarHBondContact OE2-NH1 3.05Å; E423-R691 IonicContact OE2-NH2 3.15Å; E423-R691 PolarHBondContact OE2-NH2 3.24Å; E423-R698 IonicContact OE1-CZ 2.71Å; E423-R698 IonicContact OE1-NH1 2.74Å; E423-R698 PolarHBondContact OE1-NH1 2.88Å; E423-R698 IonicContact OE1-NH2 2.64Å; E423-R698 PolarHBondContact OE1-NH2 3.18Å
424	K	95.2	Very high	94.1	Very high	25 Å²	25	23.7 Å²	23.7	11%	0.109	10%	0.104	C	C	.	.	H	α-helix	trans	-69.3	-25.5	-177.3	-62.8	-178.3	171.9	73.6	0	113.2	F418 R419 M421 Q422 F427 E428 F465 S731 R732	F418-K424 HydrophobicContact CE1-CD 3.88Å; F418-K424 HydrophobicContact CE1-CG 4.45Å; F418-K424 HydrophobicContact CE2-CB 4.03Å; F418-K424 HydrophobicContact CE2-CD 4.25Å; F418-K424 HydrophobicContact CE2-CG 3.93Å; F418-K424 HydrophobicContact CZ-CB 3.96Å; F418-K424 HydrophobicContact CZ-CD 3.65Å; F418-K424 HydrophobicContact CZ-CG 3.84Å; F418-K424 WeakPolarHBondContact O-CE 3.43Å; R419-K424 PolarHBondContact O-NZ 3.36Å; M421-K424 PolarHBondContact O-NZ 3.41Å; Q422-K424 PolarHBondContact O-N 3.17Å; Q422-K424 VanDerWaalsContact O-N 3.17Å; K424-F427 WeakPolarHBondContact O-CB 3.42Å; K424-F427 PolarHBondContact O-N 3.22Å; K424-E428 PolarHBondContact O-N 3.48Å; K424-F465 HydrophobicContact CB-CE2 4.44Å; K424-S731 WeakPolarHBondContact CD-O 3.35Å; K424-R732 WeakPolarHBondContact CA-O 3.35Å; K424-R732 WeakPolarHBondContact CB-O 3.46Å; K424-R732 PolarHBondContact N-O 3.3Å
425	D	93.4	Very high	93.9	Very high	10 Å²	10	23.7 Å²	23.7	5%	0.053	10%	0.104	C	C	.	.	H	α-helix	trans	-68.4	-35.8	173.6	61.2	-22	0	0	0	113.2	E423 F427 E428 R429 V694 R698 R732 F733	E423-D425 VanDerWaalsContact C-N 3.29Å; E423-D425 PolarHBondContact O-N 2.78Å; D425-F427 VanDerWaalsContact C-N 3.35Å; D425-E428 WeakPolarHBondContact O-CB 3.5Å; D425-E428 PolarHBondContact O-N 3.42Å; D425-R429 PolarHBondContact O-N 2.86Å; D425-R429 VanDerWaalsContact O-N 3.09Å; D425-V694 WeakPolarHBondContact OD2-CG1 3.36Å; D425-R698 IonicContact OD1-CZ 3.1Å; D425-R698 IonicContact OD1-NE 3.87Å; D425-R698 IonicContact OD1-NH2 3.4Å; D425-R698 PolarHBondContact OD1-NH2 3.48Å; D425-R698 WeakPolarHBondContact OD2-CG 3.31Å; D425-R698 IonicContact OD2-CZ 2.71Å; D425-R698 IonicContact OD2-NE 3.2Å; D425-R698 PolarHBondContact OD2-NE 2.8Å; D425-R698 IonicContact OD2-NH2 3.5Å; D425-R698 PolarHBondContact OD2-NH2 3.46Å; D425-R732 PolarHBondContact N-O 3.34Å; D425-F733 WeakPolarHBondContact OD2-CD1 3.36Å
426	V	94.8	Very high	93.7	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.024	10%	0.104	C	C	.	.	H	α-helix	trans	-64.3	-43.7	170.9	-178.9	0	0	0	0	109.8	P384 E423 E428 R429 Y430 V694	P384-V426 HydrophobicContact CB-CB 4.09Å; P384-V426 HydrophobicContact CB-CG1 3.9Å; P384-V426 HydrophobicContact CG-CB 4.27Å; P384-V426 HydrophobicContact CG-CG1 4.21Å; E423-V426 HydrophobicContact CB-CB 4.17Å; E423-V426 HydrophobicContact CB-CG2 3.86Å; E423-V426 PolarHBondContact O-N 3.45Å; V426-E428 PolarHBondContact O-N 3.1Å; V426-R429 WeakPolarHBondContact O-CB 3.49Å; V426-R429 PolarHBondContact O-N 3.31Å; V426-Y430 HydrophobicContact CG1-CD2 3.98Å; V426-Y430 HydrophobicContact CG1-CE2 3.71Å; V426-Y430 VanDerWaalsContact O-CD2 3.27Å; V426-Y430 WeakPolarHBondContact O-CD2 3.48Å; V426-Y430 PolarHBondContact O-N 3.37Å; V426-V694 HydrophobicContact CG2-CG1 3.89Å
427	F	96	Very high	93.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.8	-47.2	173	170.9	-87.9	0	0	0	111.5	P384 L387 I391 F418 M421 E423 K424 D425 R429 Y430 Y431 L457	P384-F427 HydrophobicContact CB-CB 3.99Å; P384-F427 WeakPolarHBondContact O-CD2 3.37Å; L387-F427 HydrophobicContact CB-CD2 4.24Å; L387-F427 HydrophobicContact CB-CE2 4.2Å; L387-F427 HydrophobicContact CD2-CD2 4.2Å; L387-F427 HydrophobicContact CD2-CE2 4.08Å; L387-F427 HydrophobicContact CG-CD2 4.27Å; L387-F427 HydrophobicContact CG-CE2 3.87Å; I391-F427 HydrophobicContact CD1-CE2 3.96Å; I391-F427 HydrophobicContact CD1-CZ 3.85Å; F418-F427 AromaticContact CD2-CD1 3.91Å; F418-F427 HydrophobicContact CD2-CD1 3.91Å; F418-F427 HydrophobicContact CD2-CD2 4.43Å; F418-F427 HydrophobicContact CD2-CE1 4.1Å; F418-F427 HydrophobicContact CD2-CG 4.09Å; F418-F427 HydrophobicContact CD2-CZ 4.43Å; F418-F427 HydrophobicContact CE2-CB 4.31Å; F418-F427 AromaticContact CE2-CD1 3.43Å; F418-F427 HydrophobicContact CE2-CD1 3.43Å; F418-F427 VanDerWaalsContact CE2-CD1 3.43Å; F418-F427 AromaticContact CE2-CE1 3.86Å; F418-F427 HydrophobicContact CE2-CE1 3.86Å; F418-F427 AromaticContact CE2-CG 3.88Å; F418-F427 HydrophobicContact CE2-CG 3.88Å; F418-F427 HydrophobicContact CZ-CD1 4.42Å; M421-F427 HydrophobicContact SD-CB 3.94Å; E423-F427 PolarHBondContact O-N 3.4Å; K424-F427 WeakPolarHBondContact O-CB 3.42Å; K424-F427 PolarHBondContact O-N 3.22Å; D425-F427 VanDerWaalsContact C-N 3.35Å; F427-R429 VanDerWaalsContact C-N 3.26Å; F427-R429 PolarHBondContact O-N 3.09Å; F427-Y430 PolarHBondContact O-N 3.3Å; F427-Y431 HydrophobicContact CE1-CD2 4.15Å; F427-Y431 HydrophobicContact CE1-CG 4.05Å; F427-Y431 AromaticContact CZ-CD2 3.74Å; F427-Y431 HydrophobicContact CZ-CD2 3.74Å; F427-Y431 HydrophobicContact CZ-CG 4.1Å; F427-Y431 VanDerWaalsContact O-CB 3.3Å; F427-Y431 WeakPolarHBondContact O-CB 3.45Å; F427-Y431 PolarHBondContact O-N 3.3Å; F427-L457 HydrophobicContact CE1-CD1 4.36Å; F427-L457 HydrophobicContact CE1-CD2 3.79Å; F427-L457 HydrophobicContact CZ-CD2 4.46Å
428	E	94.6	Very high	92.9	Very high	15 Å²	15	27.5 Å²	27.5	7%	0.07	12%	0.116	C	C	.	.	H	α-helix	trans	-52	-46.9	178.6	-165.7	-164	144.4	0	0	111	K424 D425 V426 Y431 K432 F465 R732	K424-E428 PolarHBondContact O-N 3.48Å; D425-E428 WeakPolarHBondContact O-CB 3.5Å; D425-E428 PolarHBondContact O-N 3.42Å; V426-E428 PolarHBondContact O-N 3.1Å; E428-Y431 PolarHBondContact O-N 2.82Å; E428-K432 WeakPolarHBondContact O-CB 3.41Å; E428-K432 PolarHBondContact O-N 3.45Å; E428-F465 HydrophobicContact CB-CE1 4.27Å; E428-F465 HydrophobicContact CB-CE2 3.64Å; E428-F465 HydrophobicContact CB-CZ 3.48Å; E428-F465 VanDerWaalsContact CB-CZ 3.48Å; E428-F465 HydrophobicContact CG-CD1 4.46Å; E428-F465 HydrophobicContact CG-CD2 4.26Å; E428-F465 HydrophobicContact CG-CE1 3.99Å; E428-F465 HydrophobicContact CG-CE2 3.78Å; E428-F465 HydrophobicContact CG-CZ 3.64Å; E428-F465 WeakPolarHBondContact OE2-CD2 3.47Å; E428-F465 WeakPolarHBondContact OE2-CE2 3.49Å; E428-R732 IonicContact OE2-CZ 3.46Å; E428-R732 IonicContact OE2-NH2 2.9Å; E428-R732 PolarHBondContact OE2-NH2 2.89Å
429	R	92.3	Very high	92.5	Very high	61 Å²	61	28.3 Å²	28.3	23%	0.23	12%	0.12	C	C	.	.	H	α-helix	trans	-59.1	-50.9	179.9	-170.3	84.9	-172.6	-172.6	7.1	111.7	D425 V426 F427 K432 Q433 T690 V694 D697	D425-R429 PolarHBondContact O-N 2.86Å; D425-R429 VanDerWaalsContact O-N 3.09Å; V426-R429 WeakPolarHBondContact O-CB 3.49Å; V426-R429 PolarHBondContact O-N 3.31Å; F427-R429 VanDerWaalsContact C-N 3.26Å; F427-R429 PolarHBondContact O-N 3.09Å; R429-K432 PolarHBondContact O-N 3.11Å; R429-Q433 WeakPolarHBondContact O-CG 3.36Å; R429-Q433 PolarHBondContact O-N 3.37Å; R429-Q433 VanDerWaalsContact O-N 3.17Å; R429-T690 HydrophobicContact CG-CG2 3.82Å; R429-V694 HydrophobicContact CB-CG2 4.03Å; R429-V694 HydrophobicContact CG-CG2 4Å; R429-D697 IonicContact NH1-OD2 3.61Å; R429-D697 PolarHBondContact NH1-OD2 3.03Å
430	Y	93.3	Very high	92	Very high	15 Å²	15	24.2 Å²	24.2	6%	0.059	11%	0.106	C	C	.	.	H	α-helix	trans	-65.9	-45	178	-76.1	-62.8	0	0	0	112	E385 S388 V426 F427 K432 Q433 H434 E682 T690	E385-Y430 HydrophobicContact CB-CD1 4.47Å; E385-Y430 HydrophobicContact CB-CD2 3.85Å; E385-Y430 HydrophobicContact CB-CE1 4.38Å; E385-Y430 HydrophobicContact CB-CE2 3.74Å; E385-Y430 HydrophobicContact CB-CG 4.23Å; E385-Y430 HydrophobicContact CG-CD1 4.06Å; E385-Y430 HydrophobicContact CG-CD2 4.33Å; E385-Y430 HydrophobicContact CG-CE1 3.95Å; E385-Y430 HydrophobicContact CG-CE2 4.23Å; E385-Y430 HydrophobicContact CG-CG 4.26Å; S388-Y430 VanDerWaalsContact OG-C 3.29Å; V426-Y430 HydrophobicContact CG1-CD2 3.98Å; V426-Y430 HydrophobicContact CG1-CE2 3.71Å; V426-Y430 VanDerWaalsContact O-CD2 3.27Å; V426-Y430 WeakPolarHBondContact O-CD2 3.48Å; V426-Y430 PolarHBondContact O-N 3.37Å; F427-Y430 PolarHBondContact O-N 3.3Å; Y430-K432 VanDerWaalsContact C-N 3.29Å; Y430-K432 PolarHBondContact O-N 2.92Å; Y430-Q433 WeakPolarHBondContact O-CB 3.14Å; Y430-Q433 PolarHBondContact O-N 2.66Å; Y430-H434 VanDerWaalsContact O-CG 3.25Å; Y430-H434 PolarHBondContact O-N 3.35Å; Y430-H434 PolarHBondContact O-ND1 2.97Å; Y430-E682 HydrophobicContact CE1-CG 4.33Å; Y430-E682 WeakPolarHBondContact CE1-OE2 2.85Å; Y430-E682 PolarHBondContact OH-OE2 2.95Å; Y430-T690 HydrophobicContact CE1-CG2 4.02Å; Y430-T690 HydrophobicContact CE2-CG2 4.37Å
431	Y	95	Very high	91.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.2	-42.6	178.3	-174.1	-92.3	0	0	0	111.4	S388 I391 F427 E428 Q433 H434 L435 M453 L457 L469	S388-Y431 WeakPolarHBondContact OG-CA 3.48Å; S388-Y431 PolarHBondContact OG-N 2.85Å; I391-Y431 HydrophobicContact CG2-CE2 3.82Å; F427-Y431 HydrophobicContact CE1-CD2 4.15Å; F427-Y431 HydrophobicContact CE1-CG 4.05Å; F427-Y431 AromaticContact CZ-CD2 3.74Å; F427-Y431 HydrophobicContact CZ-CD2 3.74Å; F427-Y431 HydrophobicContact CZ-CG 4.1Å; F427-Y431 VanDerWaalsContact O-CB 3.3Å; F427-Y431 WeakPolarHBondContact O-CB 3.45Å; F427-Y431 PolarHBondContact O-N 3.3Å; E428-Y431 PolarHBondContact O-N 2.82Å; Y431-Q433 PolarHBondContact O-N 2.62Å; Y431-H434 PolarHBondContact O-N 3.39Å; Y431-L435 HydrophobicContact CE1-CB 4.41Å; Y431-L435 HydrophobicContact CE1-CD2 4.32Å; Y431-L435 WeakPolarHBondContact O-CB 3.33Å; Y431-L435 PolarHBondContact O-N 3.1Å; Y431-M453 HydrophobicContact CE2-CG 4.21Å; Y431-M453 VanDerWaalsContact OH-CG 3.28Å; Y431-M453 WeakPolarHBondContact OH-CG 3.27Å; Y431-L457 HydrophobicContact CD1-CD1 4.13Å; Y431-L457 HydrophobicContact CE1-CD1 3.91Å; Y431-L469 HydrophobicContact CD1-CD1 3.93Å; Y431-L469 HydrophobicContact CD1-CD2 4.3Å; Y431-L469 HydrophobicContact CE1-CD1 4.02Å
432	K	92.9	Very high	90.5	Very high	23 Å²	23	30.9 Å²	30.9	10%	0.1	15%	0.146	C	C	.	.	H	α-helix	trans	-60.1	-44.5	175.4	-174.5	-178.2	-176.6	-178.1	0	112.5	E428 R429 Y430 A436 L469 M472 G510 Y511 P513	E428-K432 WeakPolarHBondContact O-CB 3.41Å; E428-K432 PolarHBondContact O-N 3.45Å; R429-K432 PolarHBondContact O-N 3.11Å; Y430-K432 VanDerWaalsContact C-N 3.29Å; Y430-K432 PolarHBondContact O-N 2.92Å; K432-A436 VanDerWaalsContact O-CB 3.32Å; K432-A436 WeakPolarHBondContact O-CB 3.22Å; K432-A436 PolarHBondContact O-N 2.99Å; K432-L469 HydrophobicContact CB-CD2 3.89Å; K432-L469 HydrophobicContact CG-CD2 3.98Å; K432-M472 HydrophobicContact CG-SD 4.02Å; K432-G510 PolarHBondContact NZ-O 2.66Å; K432-Y511 WeakPolarHBondContact CE-O 3.3Å; K432-Y511 PolarHBondContact NZ-O 3.01Å; K432-P513 HydrophobicContact CG-CG 4.46Å
433	Q	89.7	Confident	89.9	Confident	43 Å²	43	32.3 Å²	32.3	20%	0.201	15%	0.151	C	C	.	.	H	α-helix	trans	-60.5	-45.8	174.6	-71.7	175	-9.5	0	0	111.8	R429 Y430 Y431 A436 R437 P513 E682	R429-Q433 WeakPolarHBondContact O-CG 3.36Å; R429-Q433 PolarHBondContact O-N 3.37Å; R429-Q433 VanDerWaalsContact O-N 3.17Å; Y430-Q433 WeakPolarHBondContact O-CB 3.14Å; Y430-Q433 PolarHBondContact O-N 2.66Å; Y431-Q433 PolarHBondContact O-N 2.62Å; Q433-A436 PolarHBondContact O-N 2.9Å; Q433-R437 PolarHBondContact O-N 2.97Å; Q433-R437 VanDerWaalsContact O-N 3.12Å; Q433-P513 HydrophobicContact CG-CB 4.06Å; Q433-P513 HydrophobicContact CG-CG 4.47Å; Q433-E682 PolarHBondContact NE2-OE1 3.24Å; Q433-E682 PolarHBondContact OE1-OE1 3.34Å
434	H	90.8	Very high	89.3	Confident	7 Å²	7	30.7 Å²	30.7	3%	0.032	14%	0.144	C	C	.	.	H	α-helix	trans	-66.6	-45.9	-179.6	-64.4	160	0	0	0	112.2	S388 L389 D392 Y430 Y431 A436 R437 R438	S388-H434 PolarHBondContact OG-ND1 3.49Å; L389-H434 WeakPolarHBondContact CD2-CE1 3.25Å; D392-H434 HydrophobicContact CB-CB 3.96Å; Y430-H434 VanDerWaalsContact O-CG 3.25Å; Y430-H434 PolarHBondContact O-N 3.35Å; Y430-H434 PolarHBondContact O-ND1 2.97Å; Y431-H434 PolarHBondContact O-N 3.39Å; H434-A436 VanDerWaalsContact C-N 3.35Å; H434-A436 PolarHBondContact O-N 3.35Å; H434-R437 PolarHBondContact CD2-NH2 3.41Å; H434-R437 WeakPolarHBondContact O-CB 3.34Å; H434-R437 PolarHBondContact O-N 3.1Å; H434-R438 WeakPolarHBondContact O-CG 3.44Å; H434-R438 PolarHBondContact O-N 3.23Å
435	L	92.6	Very high	88.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.2	-46.5	174.7	178.7	64.2	0	0	0	111.1	Y431 R437 R438 L439 E450 I454 L469 M472 F473	Y431-L435 HydrophobicContact CE1-CB 4.41Å; Y431-L435 HydrophobicContact CE1-CD2 4.32Å; Y431-L435 WeakPolarHBondContact O-CB 3.33Å; Y431-L435 PolarHBondContact O-N 3.1Å; L435-R437 VanDerWaalsContact C-N 3.29Å; L435-R437 PolarHBondContact O-N 3.03Å; L435-R438 PolarHBondContact O-N 3.46Å; L435-R438 VanDerWaalsContact O-N 3.1Å; L435-L439 HydrophobicContact CD1-CD1 4.09Å; L435-L439 HydrophobicContact CD1-CD2 4.43Å; L435-L439 HydrophobicContact CD1-CG 3.99Å; L435-L439 HydrophobicContact CG-CD1 3.96Å; L435-L439 HydrophobicContact CG-CG 4.26Å; L435-L439 WeakPolarHBondContact O-CG 3.42Å; L435-L439 PolarHBondContact O-N 2.78Å; L435-E450 WeakPolarHBondContact CD1-OE2 3.34Å; L435-I454 HydrophobicContact CD2-CD1 4.17Å; L435-L469 HydrophobicContact CD2-CB 4.15Å; L435-L469 HydrophobicContact CD2-CD2 3.93Å; L435-M472 HydrophobicContact CB-CE 4.31Å; L435-M472 HydrophobicContact CD2-CE 4.07Å; L435-M472 HydrophobicContact CD2-SD 4.37Å; L435-M472 HydrophobicContact CG-CE 3.99Å; L435-F473 HydrophobicContact CD1-CE2 3.99Å; L435-F473 HydrophobicContact CD1-CZ 4.24Å; L435-F473 HydrophobicContact CD2-CE2 4.21Å
436	A	89.9	Confident	88	Confident	4 Å²	4	33.2 Å²	33.2	3%	0.033	16%	0.163	C	C	.	.	H	α-helix	trans	-56.8	-45.3	178.7	0	0	0	0	0	111.7	K432 Q433 H434 L439 L440 M472 W512 P513	K432-A436 VanDerWaalsContact O-CB 3.32Å; K432-A436 WeakPolarHBondContact O-CB 3.22Å; K432-A436 PolarHBondContact O-N 2.99Å; Q433-A436 PolarHBondContact O-N 2.9Å; H434-A436 VanDerWaalsContact C-N 3.35Å; H434-A436 PolarHBondContact O-N 3.35Å; A436-L439 PolarHBondContact O-N 3.35Å; A436-L440 WeakPolarHBondContact O-CB 3.34Å; A436-L440 WeakPolarHBondContact O-CD1 3.31Å; A436-L440 VanDerWaalsContact O-CG 3.23Å; A436-L440 WeakPolarHBondContact O-CG 3.38Å; A436-L440 PolarHBondContact O-N 2.93Å; A436-M472 VanDerWaalsContact CA-CE 3.46Å; A436-M472 HydrophobicContact CB-CE 3.58Å; A436-W512 HydrophobicContact CB-CE3 3.81Å; A436-W512 HydrophobicContact CB-CZ3 3.96Å; A436-P513 HydrophobicContact CB-CG 3.49Å; A436-P513 VanDerWaalsContact CB-CG 3.49Å
437	R	85.9	Confident	87.6	Confident	111 Å²	111	37.2 Å²	37.2	42%	0.419	18%	0.184	S	C	.	.	H	α-helix	trans	-61.7	-43.8	176.2	-178.4	175.6	62.2	-142.4	1	111.8	D392 Q433 H434 L435 T441	D392-R437 IonicContact OD1-NH2 2.74Å; D392-R437 IonicContact OD2-CZ 2.88Å; D392-R437 IonicContact OD2-NH2 3.54Å; D392-R437 PolarHBondContact OD2-NH2 3.13Å; Q433-R437 PolarHBondContact O-N 2.97Å; Q433-R437 VanDerWaalsContact O-N 3.12Å; H434-R437 PolarHBondContact CD2-NH2 3.41Å; H434-R437 WeakPolarHBondContact O-CB 3.34Å; H434-R437 PolarHBondContact O-N 3.1Å; L435-R437 VanDerWaalsContact C-N 3.29Å; L435-R437 PolarHBondContact O-N 3.03Å; R437-T441 WeakPolarHBondContact O-CB 3.33Å; R437-T441 WeakPolarHBondContact O-CG2 3.4Å; R437-T441 PolarHBondContact O-N 3.17Å; R437-T441 VanDerWaalsContact O-N 3.09Å; R437-T441 PolarHBondContact O-OG1 3.16Å
438	R	88.6	Confident	87.3	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-65.2	-44.8	179.7	-67.5	-166	-56.1	-85.4	4.2	112	D392 K396 H434 L435 N442 K443 S444 E450	D392-R438 VanDerWaalsContact OD1-CD 3.26Å; D392-R438 WeakPolarHBondContact OD1-CD 3.35Å; D392-R438 WeakPolarHBondContact OD1-CG 3.43Å; D392-R438 IonicContact OD1-CZ 3.82Å; D392-R438 IonicContact OD1-NE 3.73Å; D392-R438 IonicContact OD1-NH1 3.99Å; D392-R438 PolarHBondContact OD1-NH1 2.93Å; K396-R438 HydrophobicContact CG-CG 4.46Å; H434-R438 WeakPolarHBondContact O-CG 3.44Å; H434-R438 PolarHBondContact O-N 3.23Å; L435-R438 PolarHBondContact O-N 3.46Å; L435-R438 VanDerWaalsContact O-N 3.1Å; R438-N442 PolarHBondContact O-N 3.49Å; R438-K443 PolarHBondContact O-N 2.93Å; R438-S444 WeakPolarHBondContact CB-OG 3.45Å; R438-E450 IonicContact CZ-OE1 3.26Å; R438-E450 IonicContact CZ-OE2 3.8Å; R438-E450 IonicContact NE-OE1 3.34Å; R438-E450 PolarHBondContact NE-OE1 3.47Å; R438-E450 IonicContact NE-OE2 3.98Å; R438-E450 IonicContact NH2-OE1 3.74Å; R438-E450 PolarHBondContact NH2-OE1 2.88Å; R438-E450 IonicContact NH2-OE2 2.66Å; R438-E450 PolarHBondContact NH2-OE2 2.83Å
439	L	88.2	Confident	87.1	Confident	17 Å²	17	42.7 Å²	42.7	9%	0.089	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-49	178	-68.4	179.5	0	0	0	112.2	L435 A436 T441 N442 M472 F473 M476 W512	L435-L439 HydrophobicContact CD1-CD1 4.09Å; L435-L439 HydrophobicContact CD1-CD2 4.43Å; L435-L439 HydrophobicContact CD1-CG 3.99Å; L435-L439 HydrophobicContact CG-CD1 3.96Å; L435-L439 HydrophobicContact CG-CG 4.26Å; L435-L439 WeakPolarHBondContact O-CG 3.42Å; L435-L439 PolarHBondContact O-N 2.78Å; A436-L439 PolarHBondContact O-N 3.35Å; L439-T441 VanDerWaalsContact C-N 3.34Å; L439-T441 PolarHBondContact O-N 2.81Å; L439-N442 PolarHBondContact O-N 2.83Å; L439-M472 HydrophobicContact CD1-CB 4.09Å; L439-M472 HydrophobicContact CD1-CE 4.2Å; L439-F473 HydrophobicContact CD1-CD2 4.49Å; L439-F473 HydrophobicContact CD1-CE2 4.31Å; L439-F473 HydrophobicContact CD1-CZ 4.45Å; L439-F473 HydrophobicContact CD2-CD1 4.38Å; L439-F473 HydrophobicContact CD2-CE1 3.73Å; L439-F473 HydrophobicContact CD2-CE2 4.38Å; L439-F473 HydrophobicContact CD2-CZ 3.71Å; L439-M476 HydrophobicContact CB-CG 4.29Å; L439-M476 HydrophobicContact CB-SD 4.43Å; L439-M476 HydrophobicContact CD1-CG 4.29Å; L439-W512 HydrophobicContact CB-CH2 4.1Å; L439-W512 HydrophobicContact CB-CZ3 4.38Å; L439-W512 HydrophobicContact CD1-CH2 3.89Å; L439-W512 HydrophobicContact CD1-CZ3 4.46Å
440	L	84.4	Confident	87	Confident	30 Å²	30	39.8 Å²	39.8	16%	0.157	20%	0.204	C	C	.	.	H	α-helix	trans	-71.2	-29.5	-176.4	-65.8	169.5	0	0	0	113.1	A436 M476 R505 L507 W512 M553	A436-L440 WeakPolarHBondContact O-CB 3.34Å; A436-L440 WeakPolarHBondContact O-CD1 3.31Å; A436-L440 VanDerWaalsContact O-CG 3.23Å; A436-L440 WeakPolarHBondContact O-CG 3.38Å; A436-L440 PolarHBondContact O-N 2.93Å; L440-M476 HydrophobicContact CD2-CE 4.2Å; L440-M476 HydrophobicContact CD2-SD 4.47Å; L440-R505 PolarHBondContact O-NH1 3.13Å; L440-L507 HydrophobicContact CD2-CD1 4.04Å; L440-L507 HydrophobicContact CD2-CD2 4.22Å; L440-W512 HydrophobicContact CD1-CE3 4.2Å; L440-W512 HydrophobicContact CD1-CZ3 3.97Å; L440-W512 HydrophobicContact CD2-CH2 4.27Å; L440-W512 HydrophobicContact CD2-CZ3 3.98Å; L440-W512 HydrophobicContact CG-CE3 4.43Å; L440-W512 HydrophobicContact CG-CH2 4.38Å; L440-W512 HydrophobicContact CG-CZ3 3.73Å; L440-M553 HydrophobicContact CD1-CE 3.14Å
441	T	79.8	Confident	87	Confident	71 Å²	71	44.3 Å²	44.3	44%	0.436	22%	0.224	S	C	.	.	H	α-helix	trans	-92.3	1.1	176.6	63.5	0	0	0	0	113.7	R437 L439 K443	R437-T441 WeakPolarHBondContact O-CB 3.33Å; R437-T441 WeakPolarHBondContact O-CG2 3.4Å; R437-T441 PolarHBondContact O-N 3.17Å; R437-T441 VanDerWaalsContact O-N 3.09Å; R437-T441 PolarHBondContact O-OG1 3.16Å; L439-T441 VanDerWaalsContact C-N 3.34Å; L439-T441 PolarHBondContact O-N 2.81Å; T441-K443 PolarHBondContact O-N 2.92Å; T441-K443 WeakPolarHBondContact OG1-CD 3.48Å; T441-K443 WeakPolarHBondContact OG1-CG 3.47Å
442	N	78.7	Confident	86.9	Confident	97 Å²	97	46.9 Å²	46.9	52%	0.519	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	43.3	-176	-164.9	1.7	0	0	0	113	K397 R438 L439	K397-N442 PolarHBondContact NZ-O 3.41Å; K397-N442 PolarHBondContact NZ-OD1 3.49Å; R438-N442 PolarHBondContact O-N 3.49Å; L439-N442 PolarHBondContact O-N 2.83Å
443	K	79.6	Confident	87	Confident	103 Å²	103	45.8 Å²	45.8	45%	0.448	23%	0.233	S	C	.	.			trans	-105.3	6.2	-176.6	-73.4	-171.8	-177.9	-177.1	0	113.9	K396 K397 R438 T441	K396-K443 CarbonylContact C-O 3.58Å; K396-K443 WeakPolarHBondContact CA-O 3.27Å; K397-K443 PolarHBondContact N-O 3.38Å; R438-K443 PolarHBondContact O-N 2.93Å; T441-K443 PolarHBondContact O-N 2.92Å; T441-K443 WeakPolarHBondContact OG1-CD 3.48Å; T441-K443 WeakPolarHBondContact OG1-CG 3.47Å
444	S	80.5	Confident	87.2	Confident	6 Å²	6	44 Å²	44	4%	0.042	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-72.1	135.5	175.4	-64.4	0	0	0	0	111.6	L395 K397 R438 E450	L395-S444 WeakPolarHBondContact O-CA 3.28Å; K397-S444 WeakPolarHBondContact CE-O 3.43Å; K397-S444 VanDerWaalsContact CG-O 3.25Å; K397-S444 WeakPolarHBondContact CG-O 3.41Å; R438-S444 WeakPolarHBondContact CB-OG 3.45Å; S444-E450 VanDerWaalsContact CB-OE1 3.31Å; S444-E450 WeakPolarHBondContact CB-OE1 3.42Å; S444-E450 PolarHBondContact OG-OE1 3.49Å
445	V	77.6	Confident	87.4	Confident	68 Å²	68	46.8 Å²	46.8	41%	0.412	25%	0.246	S	C	.	.	S	Bend	trans	-57.9	-50.9	178.2	174.3	0	0	0	0	111	L395 K396	L395-V445 WeakPolarHBondContact O-CG2 3.25Å; L395-V445 PolarHBondContact O-N 2.87Å; K396-V445 WeakPolarHBondContact O-CG2 3.37Å
446	S	84.2	Confident	87.5	Confident	21 Å²	21	48.4 Å²	48.4	15%	0.147	25%	0.253	C	S	.	.			trans	-149.8	135.4	-177.7	172.4	0	0	0	0	109.8	D448 S449 E450	S446-D448 PolarHBondContact O-N 3.19Å; S446-D448 PolarHBondContact OG-N 3.38Å; S446-S449 PolarHBondContact O-N 2.74Å; S446-E450 WeakPolarHBondContact O-CG 3.37Å; S446-E450 PolarHBondContact O-N 3.1Å
447	D	85.9	Confident	87.8	Confident	87 Å²	87	48.2 Å²	48.2	47%	0.465	25%	0.251	S	S	.	.	H	α-helix	trans	-64.2	-30.3	175	-78	2.9	0	0	0	111.4	E450 K451	D447-E450 PolarHBondContact O-N 3.47Å; D447-K451 WeakPolarHBondContact O-CG 3.39Å; D447-K451 PolarHBondContact O-N 3.48Å
448	D	89.1	Confident	88.2	Confident	111 Å²	111	46.1 Å²	46.1	59%	0.594	25%	0.245	S	C	*	.	H	α-helix	trans	-73.3	-39.7	179.9	-67.7	-28.6	0	0	0	111.4	S446 E450 K451 N452	S446-D448 PolarHBondContact O-N 3.19Å; S446-D448 PolarHBondContact OG-N 3.38Å; D448-E450 VanDerWaalsContact C-N 3.31Å; D448-E450 PolarHBondContact O-N 3.27Å; D448-K451 PolarHBondContact O-N 3.41Å; D448-N452 VanDerWaalsContact O-CB 3.29Å; D448-N452 WeakPolarHBondContact O-CB 3.5Å; D448-N452 PolarHBondContact O-N 2.93Å
449	S	89.6	Confident	88.4	Confident	19 Å²	19	51.5 Å²	51.5	13%	0.133	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-38.2	172.9	-53.8	0	0	0	0	112.1	S446 N452 M453	S446-S449 PolarHBondContact O-N 2.74Å; S449-N452 PolarHBondContact O-N 2.9Å; S449-M453 PolarHBondContact O-N 3.35Å
450	E	91.4	Very high	88.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-44.9	176.4	-63.6	-88.4	-160.6	0	0	111.7	L435 R438 S444 S446 D447 D448 N452 M453 I454 F473	L435-E450 WeakPolarHBondContact CD1-OE2 3.34Å; R438-E450 IonicContact CZ-OE1 3.26Å; R438-E450 IonicContact CZ-OE2 3.8Å; R438-E450 IonicContact NE-OE1 3.34Å; R438-E450 PolarHBondContact NE-OE1 3.47Å; R438-E450 IonicContact NE-OE2 3.98Å; R438-E450 IonicContact NH2-OE1 3.74Å; R438-E450 PolarHBondContact NH2-OE1 2.88Å; R438-E450 IonicContact NH2-OE2 2.66Å; R438-E450 PolarHBondContact NH2-OE2 2.83Å; S444-E450 VanDerWaalsContact CB-OE1 3.31Å; S444-E450 WeakPolarHBondContact CB-OE1 3.42Å; S444-E450 PolarHBondContact OG-OE1 3.49Å; S446-E450 WeakPolarHBondContact O-CG 3.37Å; S446-E450 PolarHBondContact O-N 3.1Å; D447-E450 PolarHBondContact O-N 3.47Å; D448-E450 VanDerWaalsContact C-N 3.31Å; D448-E450 PolarHBondContact O-N 3.27Å; E450-N452 VanDerWaalsContact C-N 3.34Å; E450-N452 PolarHBondContact O-N 3.01Å; E450-M453 PolarHBondContact O-N 3.01Å; E450-I454 WeakPolarHBondContact O-CG1 3.46Å; E450-I454 PolarHBondContact O-N 2.91Å; E450-F473 HydrophobicContact CB-CE1 4.39Å; E450-F473 HydrophobicContact CB-CE2 4.26Å; E450-F473 HydrophobicContact CB-CZ 3.52Å; E450-F473 HydrophobicContact CG-CZ 4.28Å
451	K	92.3	Very high	88.8	Confident	110 Å²	110	53.6 Å²	53.6	48%	0.478	29%	0.288	S	S	.	.	H	α-helix	trans	-63.2	-39.7	175.3	-73.1	172.3	-170.3	164.2	0	111.9	D447 D448 I454 S455	D447-K451 WeakPolarHBondContact O-CG 3.39Å; D447-K451 PolarHBondContact O-N 3.48Å; D448-K451 PolarHBondContact O-N 3.41Å; K451-I454 PolarHBondContact O-N 3.46Å; K451-S455 PolarHBondContact O-N 3.33Å
452	N	92.9	Very high	89.3	Confident	54 Å²	54	51.7 Å²	51.7	29%	0.289	28%	0.282	S	S	.	.	H	α-helix	trans	-60.8	-47.3	175.1	-177.6	-51.1	0	0	0	110.3	E408 D448 S449 E450 I454 S455 K456	E408-N452 PolarHBondContact OE1-ND2 2.91Å; D448-N452 VanDerWaalsContact O-CB 3.29Å; D448-N452 WeakPolarHBondContact O-CB 3.5Å; D448-N452 PolarHBondContact O-N 2.93Å; S449-N452 PolarHBondContact O-N 2.9Å; E450-N452 VanDerWaalsContact C-N 3.34Å; E450-N452 PolarHBondContact O-N 3.01Å; N452-I454 VanDerWaalsContact C-N 3.33Å; N452-I454 PolarHBondContact O-N 3.47Å; N452-S455 WeakPolarHBondContact O-CA 3.29Å; N452-S455 VanDerWaalsContact O-CB 3.26Å; N452-S455 WeakPolarHBondContact O-CB 3.46Å; N452-S455 PolarHBondContact O-N 3.43Å; N452-K456 WeakPolarHBondContact O-CG 3.31Å; N452-K456 PolarHBondContact O-N 3.08Å; N452-K456 WeakPolarHBondContact OD1-CE 3.27Å; N452-K456 PolarHBondContact OD1-NZ 2.94Å
453	M	94.8	Very high	89.8	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-58	-43.4	175.7	-173.8	62.3	-156.1	0	0	112.5	I391 L411 M415 Y431 S449 E450 S455 K456 L457	I391-M453 HydrophobicContact CD1-CE 3.73Å; I391-M453 HydrophobicContact CG2-CE 4.47Å; I391-M453 HydrophobicContact CG2-CG 4.38Å; I391-M453 HydrophobicContact CG2-SD 4.4Å; L411-M453 HydrophobicContact CB-SD 4.22Å; L411-M453 HydrophobicContact CD1-CB 4.35Å; L411-M453 HydrophobicContact CD1-SD 4.24Å; L411-M453 HydrophobicContact CD2-SD 3.9Å; L411-M453 HydrophobicContact CG-SD 4.33Å; M415-M453 HydrophobicContact CG-CE 4.22Å; M415-M453 HydrophobicContact SD-CE 3.36Å; M415-M453 WeakPolarHBondContact SD-CE 3.25Å; M415-M453 HydrophobicContact SD-SD 4.38Å; Y431-M453 HydrophobicContact CE2-CG 4.21Å; Y431-M453 VanDerWaalsContact OH-CG 3.28Å; Y431-M453 WeakPolarHBondContact OH-CG 3.27Å; S449-M453 PolarHBondContact O-N 3.35Å; E450-M453 PolarHBondContact O-N 3.01Å; M453-S455 VanDerWaalsContact C-N 3.32Å; M453-S455 PolarHBondContact O-N 3.41Å; M453-K456 PolarHBondContact O-N 2.93Å; M453-L457 HydrophobicContact CE-CD1 4.35Å; M453-L457 HydrophobicContact CE-CD2 4.06Å; M453-L457 HydrophobicContact CE-CG 4.03Å; M453-L457 WeakPolarHBondContact O-CG 3.46Å; M453-L457 PolarHBondContact O-N 3.45Å
454	I	94.6	Very high	90.2	Very high	7 Å²	7	54.4 Å²	54.4	4%	0.036	30%	0.302	C	S	.	.	H	α-helix	trans	-62.5	-40.3	174.5	-68.1	172.9	0	0	0	111.1	L435 E450 K451 N452 K456 L457 K458 T466 L469 E470 F473	L435-I454 HydrophobicContact CD2-CD1 4.17Å; E450-I454 WeakPolarHBondContact O-CG1 3.46Å; E450-I454 PolarHBondContact O-N 2.91Å; K451-I454 PolarHBondContact O-N 3.46Å; N452-I454 VanDerWaalsContact C-N 3.33Å; N452-I454 PolarHBondContact O-N 3.47Å; I454-K456 VanDerWaalsContact C-N 3.35Å; I454-K456 PolarHBondContact O-N 3.25Å; I454-L457 PolarHBondContact O-N 2.83Å; I454-K458 WeakPolarHBondContact O-CB 3.46Å; I454-K458 PolarHBondContact O-N 3.29Å; I454-T466 HydrophobicContact CG2-CG2 4.04Å; I454-L469 HydrophobicContact CD1-CB 3.96Å; I454-L469 HydrophobicContact CG1-CB 4.35Å; I454-E470 HydrophobicContact CG2-CG 3.87Å; I454-F473 HydrophobicContact CD1-CD2 3.71Å; I454-F473 HydrophobicContact CD1-CE2 3.45Å; I454-F473 VanDerWaalsContact CD1-CE2 3.45Å
455	S	95.3	Very high	90.6	Very high	65 Å²	65	54.3 Å²	54.3	46%	0.455	30%	0.3	S	S	.	.	H	α-helix	trans	-59.8	-43.7	175	-169	0	0	0	0	111.7	K451 N452 M453 L457 K458 T459	K451-S455 PolarHBondContact O-N 3.33Å; N452-S455 WeakPolarHBondContact O-CA 3.29Å; N452-S455 VanDerWaalsContact O-CB 3.26Å; N452-S455 WeakPolarHBondContact O-CB 3.46Å; N452-S455 PolarHBondContact O-N 3.43Å; M453-S455 VanDerWaalsContact C-N 3.32Å; M453-S455 PolarHBondContact O-N 3.41Å; S455-L457 PolarHBondContact O-N 3.49Å; S455-K458 WeakPolarHBondContact O-CB 3.47Å; S455-K458 PolarHBondContact O-N 2.94Å; S455-T459 PolarHBondContact O-N 3.1Å; S455-T459 PolarHBondContact O-OG1 3.11Å
456	K	95.3	Very high	91.4	Very high	34 Å²	34	51 Å²	51	15%	0.148	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-43.9	174.9	-61.5	-172.8	-162.6	-65.7	0	111.7	E408 D412 M415 N452 M453 I454 K458 T459 E460	E408-K456 IonicContact OE1-NZ 2.68Å; D412-K456 WeakPolarHBondContact OD1-CD 3.47Å; D412-K456 WeakPolarHBondContact OD1-CE 3.31Å; D412-K456 IonicContact OD1-NZ 2.64Å; D412-K456 PolarHBondContact OD1-NZ 3.49Å; D412-K456 IonicContact OD2-NZ 2.99Å; M415-K456 HydrophobicContact CE-CB 4.33Å; M415-K456 HydrophobicContact CG-CB 4.07Å; M415-K456 HydrophobicContact CG-CD 4.03Å; M415-K456 HydrophobicContact SD-CB 4.36Å; N452-K456 WeakPolarHBondContact O-CG 3.31Å; N452-K456 PolarHBondContact O-N 3.08Å; N452-K456 WeakPolarHBondContact OD1-CE 3.27Å; N452-K456 PolarHBondContact OD1-NZ 2.94Å; M453-K456 PolarHBondContact O-N 2.93Å; I454-K456 VanDerWaalsContact C-N 3.35Å; I454-K456 PolarHBondContact O-N 3.25Å; K456-K458 VanDerWaalsContact C-N 3.31Å; K456-K458 PolarHBondContact O-N 3.31Å; K456-T459 PolarHBondContact O-N 3.44Å; K456-E460 PolarHBondContact O-N 3.22Å
457	L	95.4	Very high	91.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.2	-37.7	174.8	-68	172.4	0	0	0	112.4	M415 F418 F427 Y431 M453 I454 S455 E460 C461 F465 T466 L469	M415-L457 HydrophobicContact CE-CD2 4.04Å; M415-L457 HydrophobicContact SD-CD2 3.96Å; F418-L457 HydrophobicContact CD1-CD2 4.47Å; F418-L457 HydrophobicContact CE1-CD2 4.1Å; F418-L457 HydrophobicContact CE2-CD2 4.2Å; F418-L457 HydrophobicContact CZ-CD2 3.94Å; F427-L457 HydrophobicContact CE1-CD1 4.36Å; F427-L457 HydrophobicContact CE1-CD2 3.79Å; F427-L457 HydrophobicContact CZ-CD2 4.46Å; Y431-L457 HydrophobicContact CD1-CD1 4.13Å; Y431-L457 HydrophobicContact CE1-CD1 3.91Å; M453-L457 HydrophobicContact CE-CD1 4.35Å; M453-L457 HydrophobicContact CE-CD2 4.06Å; M453-L457 HydrophobicContact CE-CG 4.03Å; M453-L457 WeakPolarHBondContact O-CG 3.46Å; M453-L457 PolarHBondContact O-N 3.45Å; I454-L457 PolarHBondContact O-N 2.83Å; S455-L457 PolarHBondContact O-N 3.49Å; L457-E460 PolarHBondContact O-N 3.39Å; L457-C461 PolarHBondContact O-N 3.19Å; L457-F465 HydrophobicContact CB-CD1 4.44Å; L457-F465 HydrophobicContact CB-CE1 4.33Å; L457-F465 HydrophobicContact CD2-CE1 4.34Å; L457-T466 HydrophobicContact CB-CG2 3.91Å; L457-L469 HydrophobicContact CD1-CD1 4.28Å
458	K	94.5	Very high	92.1	Very high	67 Å²	67	52.9 Å²	52.9	29%	0.291	29%	0.289	S	S	.	.	H	α-helix	trans	-65.5	-40.3	177.9	-170.4	178.1	-166.3	153.4	0	112	I454 S455 K456 E460 G462 C463 T466 E470	I454-K458 WeakPolarHBondContact O-CB 3.46Å; I454-K458 PolarHBondContact O-N 3.29Å; S455-K458 WeakPolarHBondContact O-CB 3.47Å; S455-K458 PolarHBondContact O-N 2.94Å; K456-K458 VanDerWaalsContact C-N 3.31Å; K456-K458 PolarHBondContact O-N 3.31Å; K458-E460 VanDerWaalsContact C-N 3.31Å; K458-E460 PolarHBondContact O-N 2.95Å; K458-G462 WeakPolarHBondContact O-CA 3.49Å; K458-G462 PolarHBondContact O-N 3.35Å; K458-C463 WeakPolarHBondContact CE-SG 3.42Å; K458-T466 HydrophobicContact CB-CG2 3.76Å; K458-T466 HydrophobicContact CG-CG2 4.47Å; K458-E470 WeakPolarHBondContact CD-OE1 3.44Å; K458-E470 IonicContact NZ-OE1 3.58Å; K458-E470 PolarHBondContact NZ-OE1 3.25Å; K458-E470 IonicContact NZ-OE2 3.45Å
459	T	93.1	Very high	92.4	Very high	114 Å²	114	47.6 Å²	47.6	70%	0.699	26%	0.261	S	S	*	.	H	α-helix	trans	-62.1	-40.3	176.6	-60.1	0	0	0	0	111.6	S455 K456	S455-T459 PolarHBondContact O-N 3.1Å; S455-T459 PolarHBondContact O-OG1 3.11Å; K456-T459 PolarHBondContact O-N 3.44Å
460	E	89.7	Confident	92.7	Very high	74 Å²	74	49.6 Å²	49.6	35%	0.346	27%	0.268	S	S	.	.	H	α-helix	trans	-79.9	-40.1	-178	-63.8	-66.4	166.1	0	0	113.6	M415 F418 R419 K456 L457 K458	M415-E460 HydrophobicContact CE-CB 4.31Å; M415-E460 HydrophobicContact CE-CG 3.56Å; F418-E460 HydrophobicContact CD1-CB 4.46Å; F418-E460 HydrophobicContact CE1-CB 4.06Å; R419-E460 VanDerWaalsContact CD-OE1 3.3Å; R419-E460 WeakPolarHBondContact CD-OE1 3.47Å; R419-E460 VanDerWaalsContact CD-OE2 3.31Å; R419-E460 WeakPolarHBondContact CD-OE2 3.3Å; R419-E460 HydrophobicContact CG-CG 4.4Å; R419-E460 VanDerWaalsContact CG-OE2 3.27Å; R419-E460 WeakPolarHBondContact CG-OE2 3.5Å; R419-E460 IonicContact CZ-OE1 3.29Å; R419-E460 IonicContact NE-OE1 3.59Å; R419-E460 PolarHBondContact NE-OE1 2.89Å; R419-E460 IonicContact NE-OE2 3.84Å; K456-E460 PolarHBondContact O-N 3.22Å; L457-E460 PolarHBondContact O-N 3.39Å; K458-E460 VanDerWaalsContact C-N 3.31Å; K458-E460 PolarHBondContact O-N 2.95Å
461	C	89.9	Confident	92.8	Very high	18 Å²	18	49.7 Å²	49.7	12%	0.122	27%	0.269	C	S	.	.	H	α-helix	trans	-114.6	-6.8	-170.6	-63.5	0	0	0	0	114.7	F418 L457 F465	F418-C461 VanDerWaalsContact CE1-SG 3.58Å; F418-C461 VanDerWaalsContact CZ-SG 3.57Å; L457-C461 PolarHBondContact O-N 3.19Å; C461-F465 HydrophobicContact CB-CB 3.56Å; C461-F465 HydrophobicContact CB-CD1 3.79Å; C461-F465 HydrophobicContact CB-CD2 3.76Å; C461-F465 HydrophobicContact CB-CE1 4.4Å; C461-F465 HydrophobicContact CB-CE2 4.36Å; C461-F465 HydrophobicContact CB-CG 3.43Å; C461-F465 VanDerWaalsContact CB-CG 3.43Å
462	G	90.1	Very high	93	Very high	30 Å²	30	44.5 Å²	44.5	31%	0.309	25%	0.246	S	C	.	.			trans	83.5	171.6	-178.9	0	0	0	0	0	114.9	K458 Q464 F465	K458-G462 WeakPolarHBondContact O-CA 3.49Å; K458-G462 PolarHBondContact O-N 3.35Å; G462-Q464 VanDerWaalsContact C-N 3.3Å; G462-Q464 PolarHBondContact O-N 2.73Å; G462-F465 WeakPolarHBondContact O-CB 3.35Å; G462-F465 PolarHBondContact O-N 3.23Å
463	C	89.8	Confident	93	Very high	78 Å²	78	43.2 Å²	43.2	53%	0.527	24%	0.238	S	C	.	.	H	α-helix	trans	-62.9	-29.7	-173.6	-53.2	0	0	0	0	114.5	K458 F465 T466 S467	K458-C463 WeakPolarHBondContact CE-SG 3.42Å; C463-F465 VanDerWaalsContact C-N 3.31Å; C463-F465 PolarHBondContact O-N 2.85Å; C463-T466 PolarHBondContact O-N 3.37Å; C463-S467 WeakPolarHBondContact O-CB 3.38Å; C463-S467 PolarHBondContact O-N 2.89Å
464	Q	87.4	Confident	92.9	Very high	180 Å²	180	50.9 Å²	50.9	84%	0.841	27%	0.267	S	S	*	.	H	α-helix	trans	-67	-35.6	-179.1	-69	-178.1	1	0	0	111.7	G462	G462-Q464 VanDerWaalsContact C-N 3.3Å; G462-Q464 PolarHBondContact O-N 2.73Å
465	F	89.6	Confident	92.9	Very high	3 Å²	3	51.1 Å²	51.1	1%	0.013	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-41.2	177.5	-172.2	-91.7	0	0	0	111.6	F418 K424 E428 L457 C461 G462 C463	F418-F465 HydrophobicContact CZ-CZ 4.2Å; K424-F465 HydrophobicContact CB-CE2 4.44Å; E428-F465 HydrophobicContact CB-CE1 4.27Å; E428-F465 HydrophobicContact CB-CE2 3.64Å; E428-F465 HydrophobicContact CB-CZ 3.48Å; E428-F465 VanDerWaalsContact CB-CZ 3.48Å; E428-F465 HydrophobicContact CG-CD1 4.46Å; E428-F465 HydrophobicContact CG-CD2 4.26Å; E428-F465 HydrophobicContact CG-CE1 3.99Å; E428-F465 HydrophobicContact CG-CE2 3.78Å; E428-F465 HydrophobicContact CG-CZ 3.64Å; E428-F465 WeakPolarHBondContact OE2-CD2 3.47Å; E428-F465 WeakPolarHBondContact OE2-CE2 3.49Å; L457-F465 HydrophobicContact CB-CD1 4.44Å; L457-F465 HydrophobicContact CB-CE1 4.33Å; L457-F465 HydrophobicContact CD2-CE1 4.34Å; C461-F465 HydrophobicContact CB-CB 3.56Å; C461-F465 HydrophobicContact CB-CD1 3.79Å; C461-F465 HydrophobicContact CB-CD2 3.76Å; C461-F465 HydrophobicContact CB-CE1 4.4Å; C461-F465 HydrophobicContact CB-CE2 4.36Å; C461-F465 HydrophobicContact CB-CG 3.43Å; C461-F465 VanDerWaalsContact CB-CG 3.43Å; G462-F465 WeakPolarHBondContact O-CB 3.35Å; G462-F465 PolarHBondContact O-N 3.23Å; C463-F465 VanDerWaalsContact C-N 3.31Å; C463-F465 PolarHBondContact O-N 2.85Å
466	T	93.9	Very high	92.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-91.6	-13	-176	61.4	0	0	0	0	114.6	I454 L457 K458 C463 K468 L469 E470	I454-T466 HydrophobicContact CG2-CG2 4.04Å; L457-T466 HydrophobicContact CB-CG2 3.91Å; K458-T466 HydrophobicContact CB-CG2 3.76Å; K458-T466 HydrophobicContact CG-CG2 4.47Å; C463-T466 PolarHBondContact O-N 3.37Å; T466-K468 VanDerWaalsContact C-N 3.28Å; T466-K468 PolarHBondContact O-N 3.12Å; T466-K468 VanDerWaalsContact O-N 3.15Å; T466-L469 WeakPolarHBondContact O-CA 3.42Å; T466-L469 WeakPolarHBondContact O-CB 3.46Å; T466-L469 PolarHBondContact O-N 3.37Å; T466-E470 PolarHBondContact O-N 3.44Å; T466-E470 PolarHBondContact OG1-OE1 3Å
467	S	93.1	Very high	92.7	Very high	55 Å²	55	50.8 Å²	50.8	39%	0.385	27%	0.268	S	S	.	.	H	α-helix	trans	-52.1	-42.6	-173.2	175.6	0	0	0	0	113.7	C463 G471	C463-S467 WeakPolarHBondContact O-CB 3.38Å; C463-S467 PolarHBondContact O-N 2.89Å; S467-G471 PolarHBondContact O-N 2.89Å
468	K	93.4	Very high	92.6	Very high	91 Å²	91	54.9 Å²	54.9	40%	0.396	29%	0.29	S	S	.	.	H	α-helix	trans	-68.4	-38.3	177.8	-65.1	177	-175.2	167.2	0	111.9	T466 G471 M472 Y511	T466-K468 VanDerWaalsContact C-N 3.28Å; T466-K468 PolarHBondContact O-N 3.12Å; T466-K468 VanDerWaalsContact O-N 3.15Å; K468-G471 PolarHBondContact O-N 3.38Å; K468-M472 WeakPolarHBondContact O-CG 3.32Å; K468-M472 PolarHBondContact O-N 2.85Å; K468-Y511 HydrophobicContact CB-CD1 4.38Å; K468-Y511 HydrophobicContact CG-CD1 4.1Å
469	L	94.8	Very high	92.6	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-67.7	-44	178	-53.7	175.7	0	0	0	111.2	Y431 K432 L435 I454 L457 T466 G471 M472 F473	Y431-L469 HydrophobicContact CD1-CD1 3.93Å; Y431-L469 HydrophobicContact CD1-CD2 4.3Å; Y431-L469 HydrophobicContact CE1-CD1 4.02Å; K432-L469 HydrophobicContact CB-CD2 3.89Å; K432-L469 HydrophobicContact CG-CD2 3.98Å; L435-L469 HydrophobicContact CD2-CB 4.15Å; L435-L469 HydrophobicContact CD2-CD2 3.93Å; I454-L469 HydrophobicContact CD1-CB 3.96Å; I454-L469 HydrophobicContact CG1-CB 4.35Å; L457-L469 HydrophobicContact CD1-CD1 4.28Å; T466-L469 WeakPolarHBondContact O-CA 3.42Å; T466-L469 WeakPolarHBondContact O-CB 3.46Å; T466-L469 PolarHBondContact O-N 3.37Å; L469-G471 VanDerWaalsContact C-N 3.28Å; L469-G471 PolarHBondContact O-N 2.96Å; L469-M472 HydrophobicContact CD2-SD 4.21Å; L469-M472 WeakPolarHBondContact O-CB 3.38Å; L469-M472 PolarHBondContact O-N 3.49Å; L469-F473 PolarHBondContact O-N 3.01Å
470	E	94.8	Very high	92.6	Very high	60 Å²	60	50.6 Å²	50.6	28%	0.28	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-38.3	173.3	-67.1	176.2	-168.8	0	0	111.1	I454 K458 T466 M472 F473 R474	I454-E470 HydrophobicContact CG2-CG 3.87Å; K458-E470 WeakPolarHBondContact CD-OE1 3.44Å; K458-E470 IonicContact NZ-OE1 3.58Å; K458-E470 PolarHBondContact NZ-OE1 3.25Å; K458-E470 IonicContact NZ-OE2 3.45Å; T466-E470 PolarHBondContact O-N 3.44Å; T466-E470 PolarHBondContact OG1-OE1 3Å; E470-M472 VanDerWaalsContact C-N 3.33Å; E470-M472 PolarHBondContact O-N 3.5Å; E470-F473 PolarHBondContact O-N 3.33Å; E470-R474 PolarHBondContact O-N 3.09Å; E470-R474 VanDerWaalsContact O-N 3.1Å
471	G	95.1	Very high	92.8	Very high	3 Å²	3	50.6 Å²	50.6	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-59.6	-39.2	173.2	0	0	0	0	0	113.3	S467 K468 L469 F473 R474 D475	S467-G471 PolarHBondContact O-N 2.89Å; K468-G471 PolarHBondContact O-N 3.38Å; L469-G471 VanDerWaalsContact C-N 3.28Å; L469-G471 PolarHBondContact O-N 2.96Å; G471-F473 PolarHBondContact O-N 3.22Å; G471-R474 WeakPolarHBondContact O-CB 3.25Å; G471-R474 PolarHBondContact O-N 2.78Å; G471-D475 PolarHBondContact O-N 2.98Å
472	M	94.9	Very high	93.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-41.1	176.1	-66.1	164.5	59.6	0	0	112	K432 L435 A436 L439 K468 L469 E470 D475 M476 Y511 W512	K432-M472 HydrophobicContact CG-SD 4.02Å; L435-M472 HydrophobicContact CB-CE 4.31Å; L435-M472 HydrophobicContact CD2-CE 4.07Å; L435-M472 HydrophobicContact CD2-SD 4.37Å; L435-M472 HydrophobicContact CG-CE 3.99Å; A436-M472 VanDerWaalsContact CA-CE 3.46Å; A436-M472 HydrophobicContact CB-CE 3.58Å; L439-M472 HydrophobicContact CD1-CB 4.09Å; L439-M472 HydrophobicContact CD1-CE 4.2Å; K468-M472 WeakPolarHBondContact O-CG 3.32Å; K468-M472 PolarHBondContact O-N 2.85Å; L469-M472 HydrophobicContact CD2-SD 4.21Å; L469-M472 WeakPolarHBondContact O-CB 3.38Å; L469-M472 PolarHBondContact O-N 3.49Å; E470-M472 VanDerWaalsContact C-N 3.33Å; E470-M472 PolarHBondContact O-N 3.5Å; M472-D475 PolarHBondContact O-N 3.35Å; M472-M476 WeakPolarHBondContact O-CG 3.44Å; M472-M476 PolarHBondContact O-N 2.96Å; M472-M476 VanDerWaalsContact O-N 3.08Å; M472-Y511 WeakPolarHBondContact CG-O 3.44Å; M472-W512 HydrophobicContact CB-CD2 4.4Å; M472-W512 HydrophobicContact CB-CH2 4Å; M472-W512 HydrophobicContact CB-CZ2 3.57Å; M472-W512 HydrophobicContact CE-CD2 4.25Å; M472-W512 HydrophobicContact CE-CE3 3.8Å; M472-W512 HydrophobicContact CE-CH2 4.21Å; M472-W512 HydrophobicContact CE-CZ3 3.77Å; M472-W512 HydrophobicContact CG-CD2 3.85Å; M472-W512 HydrophobicContact CG-CE3 4.34Å; M472-W512 HydrophobicContact CG-CG 4.21Å; M472-W512 HydrophobicContact CG-CH2 4.42Å; M472-W512 HydrophobicContact CG-CZ2 3.96Å; M472-W512 VanDerWaalsContact O-CZ2 3.31Å; M472-W512 WeakPolarHBondContact O-CZ2 3.44Å
473	F	92.8	Very high	93.3	Very high	27 Å²	27	48.9 Å²	48.9	12%	0.118	25%	0.253	C	S	.	.	H	α-helix	trans	-65.1	-41	174.3	-87.4	-82.4	0	0	0	112.6	L435 L439 E450 I454 L469 E470 G471 D475 M476 S477	L435-F473 HydrophobicContact CD1-CE2 3.99Å; L435-F473 HydrophobicContact CD1-CZ 4.24Å; L435-F473 HydrophobicContact CD2-CE2 4.21Å; L439-F473 HydrophobicContact CD1-CD2 4.49Å; L439-F473 HydrophobicContact CD1-CE2 4.31Å; L439-F473 HydrophobicContact CD1-CZ 4.45Å; L439-F473 HydrophobicContact CD2-CD1 4.38Å; L439-F473 HydrophobicContact CD2-CE1 3.73Å; L439-F473 HydrophobicContact CD2-CE2 4.38Å; L439-F473 HydrophobicContact CD2-CZ 3.71Å; E450-F473 HydrophobicContact CB-CE1 4.39Å; E450-F473 HydrophobicContact CB-CE2 4.26Å; E450-F473 HydrophobicContact CB-CZ 3.52Å; E450-F473 HydrophobicContact CG-CZ 4.28Å; I454-F473 HydrophobicContact CD1-CD2 3.71Å; I454-F473 HydrophobicContact CD1-CE2 3.45Å; I454-F473 VanDerWaalsContact CD1-CE2 3.45Å; L469-F473 PolarHBondContact O-N 3.01Å; E470-F473 PolarHBondContact O-N 3.33Å; G471-F473 PolarHBondContact O-N 3.22Å; F473-D475 VanDerWaalsContact C-N 3.33Å; F473-D475 PolarHBondContact O-N 3.04Å; F473-M476 PolarHBondContact O-N 2.85Å; F473-S477 PolarHBondContact O-N 3.26Å
474	R	94.4	Very high	93.5	Very high	162 Å²	162	49.4 Å²	49.4	61%	0.611	25%	0.251	S	S	*	.	H	α-helix	trans	-61.5	-43.7	176.3	-166.9	-178.2	-57.3	-174.2	2.8	111.2	E470 G471 M476 S477 I478	E470-R474 PolarHBondContact O-N 3.09Å; E470-R474 VanDerWaalsContact O-N 3.1Å; G471-R474 WeakPolarHBondContact O-CB 3.25Å; G471-R474 PolarHBondContact O-N 2.78Å; R474-M476 VanDerWaalsContact C-N 3.33Å; R474-M476 PolarHBondContact O-N 2.94Å; R474-S477 PolarHBondContact O-N 2.95Å; R474-I478 HydrophobicContact CG-CD1 3.74Å; R474-I478 HydrophobicContact CG-CG1 4.33Å; R474-I478 WeakPolarHBondContact O-CB 3.39Å; R474-I478 VanDerWaalsContact O-CG1 3.3Å; R474-I478 WeakPolarHBondContact O-CG1 3.38Å; R474-I478 PolarHBondContact O-N 3Å
475	D	94.8	Very high	93.9	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.064	23%	0.225	C	C	.	.	H	α-helix	trans	-60.2	-41.9	175.6	-74.2	-16.3	0	0	0	111.5	G471 M472 F473 S479 T508 W512	G471-D475 PolarHBondContact O-N 2.98Å; M472-D475 PolarHBondContact O-N 3.35Å; F473-D475 VanDerWaalsContact C-N 3.33Å; F473-D475 PolarHBondContact O-N 3.04Å; D475-S479 WeakPolarHBondContact O-CB 3.49Å; D475-S479 PolarHBondContact O-N 3.17Å; D475-T508 PolarHBondContact OD1-OG1 3.14Å; D475-T508 VanDerWaalsContact OD2-CB 3.26Å; D475-T508 WeakPolarHBondContact OD2-CB 3.09Å; D475-T508 PolarHBondContact OD2-N 3.38Å; D475-T508 PolarHBondContact OD2-OG1 2.97Å; D475-W512 HydrophobicContact CB-CZ2 4.18Å; D475-W512 PolarHBondContact OD2-NE1 3.34Å
476	M	92.1	Very high	94.2	Very high	19 Å²	19	43.7 Å²	43.7	9%	0.094	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-46.1	176.8	-70.6	-59.9	92.7	0	0	112	L439 L440 M472 F473 R474 S479 N480 R505 L507 W512	L439-M476 HydrophobicContact CB-CG 4.29Å; L439-M476 HydrophobicContact CB-SD 4.43Å; L439-M476 HydrophobicContact CD1-CG 4.29Å; L440-M476 HydrophobicContact CD2-CE 4.2Å; L440-M476 HydrophobicContact CD2-SD 4.47Å; M472-M476 WeakPolarHBondContact O-CG 3.44Å; M472-M476 PolarHBondContact O-N 2.96Å; M472-M476 VanDerWaalsContact O-N 3.08Å; F473-M476 PolarHBondContact O-N 2.85Å; R474-M476 VanDerWaalsContact C-N 3.33Å; R474-M476 PolarHBondContact O-N 2.94Å; M476-S479 PolarHBondContact O-N 3.44Å; M476-N480 VanDerWaalsContact O-CG 3.24Å; M476-N480 PolarHBondContact O-N 2.74Å; M476-N480 PolarHBondContact O-ND2 3.16Å; M476-R505 HydrophobicContact CE-CB 4.46Å; M476-L507 HydrophobicContact CE-CD2 3.14Å; M476-W512 HydrophobicContact CE-CH2 3.48Å; M476-W512 VanDerWaalsContact CE-CH2 3.48Å; M476-W512 HydrophobicContact CE-CZ2 3.41Å; M476-W512 VanDerWaalsContact CE-CZ2 3.41Å; M476-W512 HydrophobicContact CG-CH2 4.02Å; M476-W512 HydrophobicContact CG-CZ2 4.22Å; M476-W512 HydrophobicContact SD-CH2 3.97Å; M476-W512 HydrophobicContact SD-CZ2 4.37Å
477	S	92.4	Very high	94.1	Very high	72 Å²	72	48.6 Å²	48.6	50%	0.503	24%	0.243	S	C	.	.	H	α-helix	trans	-63.8	-50.7	178.2	175.8	0	0	0	0	111.9	F473 R474 S479 N480 T481	F473-S477 PolarHBondContact O-N 3.26Å; R474-S477 PolarHBondContact O-N 2.95Å; S477-S479 VanDerWaalsContact C-N 3.28Å; S477-S479 PolarHBondContact O-N 2.85Å; S477-N480 PolarHBondContact O-N 3.03Å; S477-T481 PolarHBondContact O-N 3.5Å; S477-T481 VanDerWaalsContact O-N 3.14Å; S477-T481 PolarHBondContact O-OG1 3.15Å
478	I	94.6	Very high	94.1	Very high	87 Å²	87	52.4 Å²	52.4	45%	0.446	26%	0.255	S	S	.	.	H	α-helix	trans	-60.4	-41	178.7	-69	172.5	0	0	0	110.6	R474 N480 T481 T482	R474-I478 HydrophobicContact CG-CD1 3.74Å; R474-I478 HydrophobicContact CG-CG1 4.33Å; R474-I478 WeakPolarHBondContact O-CB 3.39Å; R474-I478 VanDerWaalsContact O-CG1 3.3Å; R474-I478 WeakPolarHBondContact O-CG1 3.38Å; R474-I478 PolarHBondContact O-N 3Å; I478-N480 VanDerWaalsContact C-N 3.34Å; I478-N480 PolarHBondContact O-N 3.19Å; I478-T481 PolarHBondContact O-N 2.9Å; I478-T482 WeakPolarHBondContact O-CB 2.84Å; I478-T482 PolarHBondContact O-N 3.22Å; I478-T482 PolarHBondContact O-OG1 3.31Å
479	S	93.8	Very high	94	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.014	25%	0.25	C	S	.	.	H	α-helix	trans	-67.6	-35.2	-179.4	-167.8	0	0	0	0	112.6	D475 M476 S477 T482 M483 V504 R505 V506	D475-S479 WeakPolarHBondContact O-CB 3.49Å; D475-S479 PolarHBondContact O-N 3.17Å; M476-S479 PolarHBondContact O-N 3.44Å; S477-S479 VanDerWaalsContact C-N 3.28Å; S477-S479 PolarHBondContact O-N 2.85Å; S479-T482 PolarHBondContact O-N 2.97Å; S479-M483 WeakPolarHBondContact O-CG 3.32Å; S479-M483 PolarHBondContact O-N 2.89Å; S479-V504 PolarHBondContact OG-O 3.04Å; S479-R505 VanDerWaalsContact OG-CA 3.23Å; S479-R505 WeakPolarHBondContact OG-CA 3.13Å; S479-V506 PolarHBondContact OG-N 2.91Å
480	N	92.4	Very high	93.9	Very high	89 Å²	89	52.6 Å²	52.6	48%	0.476	26%	0.258	S	S	.	.	H	α-helix	trans	-64.3	-47.9	174.2	-70.3	-20.8	0	0	0	110.4	M476 S477 I478 T482 M483 D484	M476-N480 VanDerWaalsContact O-CG 3.24Å; M476-N480 PolarHBondContact O-N 2.74Å; M476-N480 PolarHBondContact O-ND2 3.16Å; S477-N480 PolarHBondContact O-N 3.03Å; I478-N480 VanDerWaalsContact C-N 3.34Å; I478-N480 PolarHBondContact O-N 3.19Å; N480-T482 VanDerWaalsContact C-N 3.33Å; N480-T482 PolarHBondContact O-N 2.86Å; N480-M483 PolarHBondContact O-N 3.39Å; N480-M483 VanDerWaalsContact O-N 3.11Å; N480-D484 PolarHBondContact O-N 3.42Å
481	T	95.3	Very high	93.5	Very high	74 Å²	74	57.4 Å²	57.4	45%	0.454	28%	0.28	S	S	.	.	H	α-helix	trans	-59	-43.8	175.2	-54.6	0	0	0	0	112	S477 I478 M483 D484 E485	S477-T481 PolarHBondContact O-N 3.5Å; S477-T481 VanDerWaalsContact O-N 3.14Å; S477-T481 PolarHBondContact O-OG1 3.15Å; I478-T481 PolarHBondContact O-N 2.9Å; T481-M483 VanDerWaalsContact C-N 3.27Å; T481-M483 PolarHBondContact O-N 3.4Å; T481-D484 PolarHBondContact O-N 3.27Å; T481-E485 WeakPolarHBondContact O-CG 3.21Å; T481-E485 PolarHBondContact O-N 3.41Å
482	T	95.2	Very high	93.3	Very high	7 Å²	7	61.6 Å²	61.6	4%	0.043	31%	0.309	C	S	.	.	H	α-helix	trans	-61.7	-36.2	177.4	-55	0	0	0	0	111.6	I478 S479 N480 F486 F537 Y538	I478-T482 WeakPolarHBondContact O-CB 2.84Å; I478-T482 PolarHBondContact O-N 3.22Å; I478-T482 PolarHBondContact O-OG1 3.31Å; S479-T482 PolarHBondContact O-N 2.97Å; N480-T482 VanDerWaalsContact C-N 3.33Å; N480-T482 PolarHBondContact O-N 2.86Å; T482-F486 WeakPolarHBondContact O-CB 3.19Å; T482-F486 PolarHBondContact O-N 3.19Å; T482-F537 HydrophobicContact CG2-CE1 4.2Å; T482-Y538 HydrophobicContact CG2-CD2 4.05Å; T482-Y538 HydrophobicContact CG2-CE2 4.29Å
483	M	95.1	Very high	92.9	Very high	4 Å²	4	65 Å²	65	2%	0.02	33%	0.33	C	S	.	.	H	α-helix	trans	-70.9	-36	176	-78.9	-54.6	-51.4	0	0	112.7	S479 N480 T481 F486 R487 L502 V504 F534	S479-M483 WeakPolarHBondContact O-CG 3.32Å; S479-M483 PolarHBondContact O-N 2.89Å; N480-M483 PolarHBondContact O-N 3.39Å; N480-M483 VanDerWaalsContact O-N 3.11Å; T481-M483 VanDerWaalsContact C-N 3.27Å; T481-M483 PolarHBondContact O-N 3.4Å; M483-F486 HydrophobicContact CE-CD1 3.79Å; M483-F486 PolarHBondContact O-N 3.4Å; M483-F486 HydrophobicContact SD-CD1 4.43Å; M483-R487 WeakPolarHBondContact O-CG 3.1Å; M483-R487 PolarHBondContact O-N 3.12Å; M483-L502 VanDerWaalsContact CE-O 3.27Å; M483-L502 WeakPolarHBondContact CE-O 3.46Å; M483-V504 WeakPolarHBondContact CG-O 3.31Å; M483-V504 HydrophobicContact SD-CB 3.81Å; M483-V504 HydrophobicContact SD-CG2 4.31Å; M483-V504 PolarHBondContact SD-N 3.45Å; M483-F534 HydrophobicContact SD-CD2 4.17Å; M483-F534 HydrophobicContact SD-CE2 3.65Å; M483-F534 HydrophobicContact SD-CZ 4.42Å
484	D	94.8	Very high	92.4	Very high	90 Å²	90	68 Å²	68	48%	0.481	36%	0.36	S	S	.	.	H	α-helix	trans	-66.8	-42.7	175.2	-66.5	-28.9	0	0	0	111.3	N480 T481 F486 R487 Q488	N480-D484 PolarHBondContact O-N 3.42Å; T481-D484 PolarHBondContact O-N 3.27Å; D484-F486 VanDerWaalsContact C-N 3.32Å; D484-F486 PolarHBondContact O-N 3.06Å; D484-R487 PolarHBondContact O-N 3.3Å; D484-R487 IonicContact OD1-NH1 2.82Å; D484-R487 PolarHBondContact OD1-NH1 3.25Å; D484-Q488 PolarHBondContact O-N 3.04Å
485	E	94.8	Very high	92	Very high	61 Å²	61	63 Å²	63	29%	0.285	35%	0.347	S	S	.	.	H	α-helix	trans	-60.3	-40.6	171.6	-67.5	174.1	160	0	0	112	T481 Q488 H489 F537 K541	T481-E485 WeakPolarHBondContact O-CG 3.21Å; T481-E485 PolarHBondContact O-N 3.41Å; E485-Q488 PolarHBondContact O-N 3.11Å; E485-H489 WeakPolarHBondContact O-CB 3.3Å; E485-H489 PolarHBondContact O-N 3.18Å; E485-F537 HydrophobicContact CB-CZ 4.1Å; E485-K541 IonicContact OE1-NZ 3.6Å; E485-K541 PolarHBondContact OE1-NZ 3.42Å; E485-K541 IonicContact OE2-NZ 2.82Å; E485-K541 PolarHBondContact OE2-NZ 3.2Å
486	F	95.1	Very high	91.6	Very high	1 Å²	1	66.4 Å²	66.4	0%	0.004	37%	0.372	C	S	.	.	H	α-helix	trans	-63.9	-43.8	176.1	179.2	-118.5	0	0	0	111.8	T482 M483 D484 Q488 H489 L490 L497 V533 F534 F537	T482-F486 WeakPolarHBondContact O-CB 3.19Å; T482-F486 PolarHBondContact O-N 3.19Å; M483-F486 HydrophobicContact CE-CD1 3.79Å; M483-F486 PolarHBondContact O-N 3.4Å; M483-F486 HydrophobicContact SD-CD1 4.43Å; D484-F486 VanDerWaalsContact C-N 3.32Å; D484-F486 PolarHBondContact O-N 3.06Å; F486-Q488 VanDerWaalsContact C-N 3.31Å; F486-Q488 PolarHBondContact O-N 2.82Å; F486-H489 WeakPolarHBondContact O-CB 3.17Å; F486-H489 PolarHBondContact O-N 3.03Å; F486-H489 VanDerWaalsContact O-N 3.17Å; F486-L490 HydrophobicContact CD1-CD1 4.06Å; F486-L490 HydrophobicContact CD2-CG 4.5Å; F486-L490 HydrophobicContact CE1-CD1 3.64Å; F486-L490 HydrophobicContact CE1-CG 4.23Å; F486-L490 HydrophobicContact CE2-CD1 4.45Å; F486-L490 HydrophobicContact CE2-CD2 4.04Å; F486-L490 HydrophobicContact CE2-CG 4.17Å; F486-L490 HydrophobicContact CZ-CD1 3.86Å; F486-L490 HydrophobicContact CZ-CD2 3.91Å; F486-L490 HydrophobicContact CZ-CG 4.04Å; F486-L490 WeakPolarHBondContact O-CG 3.36Å; F486-L490 PolarHBondContact O-N 3.41Å; F486-L497 HydrophobicContact CE1-CD1 4.39Å; F486-L497 HydrophobicContact CZ-CD2 4.19Å; F486-V533 HydrophobicContact CE2-CG1 4.21Å; F486-V533 HydrophobicContact CZ-CG1 4.2Å; F486-F534 HydrophobicContact CB-CD2 4.4Å; F486-F534 HydrophobicContact CB-CE2 4.45Å; F486-F534 AromaticContact CD1-CD2 3.82Å; F486-F534 HydrophobicContact CD1-CD2 3.82Å; F486-F534 AromaticContact CD2-CD2 3.99Å; F486-F534 HydrophobicContact CD2-CD2 3.99Å; F486-F534 HydrophobicContact CE1-CB 4.24Å; F486-F534 AromaticContact CE1-CD2 3.98Å; F486-F534 HydrophobicContact CE1-CD2 3.98Å; F486-F534 HydrophobicContact CE2-CB 4.14Å; F486-F534 HydrophobicContact CE2-CD2 4.16Å; F486-F534 AromaticContact CG-CD2 3.8Å; F486-F534 HydrophobicContact CG-CD2 3.8Å; F486-F534 HydrophobicContact CG-CE2 4.32Å; F486-F534 HydrophobicContact CZ-CB 3.83Å; F486-F534 HydrophobicContact CZ-CD2 4.14Å; F486-F537 HydrophobicContact CB-CD1 4.04Å; F486-F537 HydrophobicContact CB-CE1 3.66Å; F486-F537 HydrophobicContact CB-CZ 4.06Å; F486-F537 HydrophobicContact CD2-CB 3.97Å; F486-F537 AromaticContact CD2-CD1 3.52Å; F486-F537 HydrophobicContact CD2-CD1 3.52Å; F486-F537 HydrophobicContact CD2-CD2 4.2Å; F486-F537 HydrophobicContact CD2-CE1 4.03Å; F486-F537 AromaticContact CD2-CG 3.62Å; F486-F537 HydrophobicContact CD2-CG 3.62Å; F486-F537 HydrophobicContact CE2-CB 4.09Å; F486-F537 HydrophobicContact CE2-CD1 4.37Å; F486-F537 HydrophobicContact CE2-CG 4.25Å; F486-F537 HydrophobicContact CG-CD1 4.15Å; F486-F537 HydrophobicContact CG-CE1 4.28Å
487	R	92.9	Very high	91.4	Very high	103 Å²	103	66.5 Å²	66.5	39%	0.389	37%	0.372	S	S	.	.	H	α-helix	trans	-60.5	-41.8	175.6	-71.9	174.5	-172	134.8	-1.9	111.5	M483 D484 L490 Q491	M483-R487 WeakPolarHBondContact O-CG 3.1Å; M483-R487 PolarHBondContact O-N 3.12Å; D484-R487 PolarHBondContact O-N 3.3Å; D484-R487 IonicContact OD1-NH1 2.82Å; D484-R487 PolarHBondContact OD1-NH1 3.25Å; R487-L490 PolarHBondContact O-N 2.64Å; R487-Q491 WeakPolarHBondContact O-CG 3.37Å; R487-Q491 PolarHBondContact O-N 3.48Å; R487-Q491 VanDerWaalsContact O-N 3.12Å
488	Q	92.4	Very high	90.9	Very high	135 Å²	135	65.6 Å²	65.6	63%	0.631	38%	0.375	S	S	*	.	H	α-helix	trans	-64.4	-40.4	174.7	-169.8	-179	17.2	0	0	111.8	D484 E485 F486 L490 Q491 S492	D484-Q488 PolarHBondContact O-N 3.04Å; E485-Q488 PolarHBondContact O-N 3.11Å; F486-Q488 VanDerWaalsContact C-N 3.31Å; F486-Q488 PolarHBondContact O-N 2.82Å; Q488-L490 PolarHBondContact O-N 2.94Å; Q488-Q491 PolarHBondContact O-N 3.32Å; Q488-S492 WeakPolarHBondContact O-CB 3.39Å; Q488-S492 PolarHBondContact O-N 3.45Å; Q488-S492 PolarHBondContact O-OG 3.21Å
489	H	92.1	Very high	90.4	Very high	65 Å²	65	65.5 Å²	65.5	30%	0.301	40%	0.395	S	S	.	.	H	α-helix	trans	-60.1	-45.2	175.2	179.4	63.1	0	0	0	111.8	E485 F486 Q491 S492 T493 F537	E485-H489 WeakPolarHBondContact O-CB 3.3Å; E485-H489 PolarHBondContact O-N 3.18Å; F486-H489 WeakPolarHBondContact O-CB 3.17Å; F486-H489 PolarHBondContact O-N 3.03Å; F486-H489 VanDerWaalsContact O-N 3.17Å; H489-Q491 VanDerWaalsContact C-N 3.33Å; H489-Q491 PolarHBondContact O-N 2.84Å; H489-S492 WeakPolarHBondContact CA-OG 3.45Å; H489-S492 PolarHBondContact O-N 3.38Å; H489-S492 PolarHBondContact O-OG 3.17Å; H489-T493 PolarHBondContact CE1-OG1 2.8Å; H489-T493 PolarHBondContact ND1-OG1 2.64Å; H489-T493 WeakPolarHBondContact O-CB 3.35Å; H489-T493 PolarHBondContact O-N 2.82Å; H489-T493 PolarHBondContact O-OG1 3.49Å; H489-F537 HydrophobicContact CB-CD2 4.04Å; H489-F537 HydrophobicContact CB-CE2 3.86Å; H489-F537 AromaticContact CD2-CD2 3.66Å; H489-F537 AromaticContact CG-CD2 3.8Å
490	L	91.4	Very high	90.3	Very high	31 Å²	31	67.3 Å²	67.3	16%	0.162	41%	0.406	C	S	.	.	H	α-helix	trans	-60	-41.8	176.1	-66.7	174.6	0	0	0	112.2	F486 R487 Q488 A494 V495 L497 V533	F486-L490 HydrophobicContact CD1-CD1 4.06Å; F486-L490 HydrophobicContact CD2-CG 4.5Å; F486-L490 HydrophobicContact CE1-CD1 3.64Å; F486-L490 HydrophobicContact CE1-CG 4.23Å; F486-L490 HydrophobicContact CE2-CD1 4.45Å; F486-L490 HydrophobicContact CE2-CD2 4.04Å; F486-L490 HydrophobicContact CE2-CG 4.17Å; F486-L490 HydrophobicContact CZ-CD1 3.86Å; F486-L490 HydrophobicContact CZ-CD2 3.91Å; F486-L490 HydrophobicContact CZ-CG 4.04Å; F486-L490 WeakPolarHBondContact O-CG 3.36Å; F486-L490 PolarHBondContact O-N 3.41Å; R487-L490 PolarHBondContact O-N 2.64Å; Q488-L490 PolarHBondContact O-N 2.94Å; L490-A494 WeakPolarHBondContact O-CA 3.47Å; L490-A494 PolarHBondContact O-N 3.38Å; L490-A494 VanDerWaalsContact O-N 3.11Å; L490-V495 HydrophobicContact CD2-CB 4.2Å; L490-V495 HydrophobicContact CD2-CG1 4.43Å; L490-L497 HydrophobicContact CD1-CD1 3.72Å; L490-L497 HydrophobicContact CD1-CD2 4.41Å; L490-L497 HydrophobicContact CD1-CG 4.05Å; L490-L497 HydrophobicContact CD2-CD2 4Å; L490-L497 HydrophobicContact CD2-CG 4.25Å; L490-V533 HydrophobicContact CD2-CG1 4.23Å
491	Q	88.3	Confident	90.2	Very high	162 Å²	162	70 Å²	70	76%	0.757	42%	0.421	S	S	*	.	H	α-helix	trans	-65.4	-42.1	176.6	-70.3	172.7	-0.7	0	0	112.1	R487 Q488 H489	R487-Q491 WeakPolarHBondContact O-CG 3.37Å; R487-Q491 PolarHBondContact O-N 3.48Å; R487-Q491 VanDerWaalsContact O-N 3.12Å; Q488-Q491 PolarHBondContact O-N 3.32Å; H489-Q491 VanDerWaalsContact C-N 3.33Å; H489-Q491 PolarHBondContact O-N 2.84Å
492	S	89.9	Confident	90.1	Very high	91 Å²	91	68 Å²	68	64%	0.636	41%	0.407	S	S	*	.	H	α-helix	trans	-75.4	-33.2	-177.3	64.1	0	0	0	0	114.5	Q488 H489	Q488-S492 WeakPolarHBondContact O-CB 3.39Å; Q488-S492 PolarHBondContact O-N 3.45Å; Q488-S492 PolarHBondContact O-OG 3.21Å; H489-S492 WeakPolarHBondContact CA-OG 3.45Å; H489-S492 PolarHBondContact O-N 3.38Å; H489-S492 PolarHBondContact O-OG 3.17Å
493	T	86.7	Confident	90	Very high	72 Å²	72	71.5 Å²	71.5	44%	0.442	43%	0.428	S	S	.	.	H	α-helix	trans	-101.5	-3.6	-173.5	-41.9	0	0	0	0	111.7	H489 V495	H489-T493 PolarHBondContact CE1-OG1 2.8Å; H489-T493 PolarHBondContact ND1-OG1 2.64Å; H489-T493 WeakPolarHBondContact O-CB 3.35Å; H489-T493 PolarHBondContact O-N 2.82Å; H489-T493 PolarHBondContact O-OG1 3.49Å; T493-V495 HydrophobicContact CG2-CG2 3.73Å; T493-V495 PolarHBondContact O-N 3.29Å; T493-V495 VanDerWaalsContact O-N 3.08Å
494	A	81.8	Confident	89.9	Confident	90 Å²	90	72.2 Å²	72.2	74%	0.744	43%	0.433	S	S	*	.			trans	52.5	26.6	-176.7	0	0	0	0	0	114.3	L490 S496	L490-A494 WeakPolarHBondContact O-CA 3.47Å; L490-A494 PolarHBondContact O-N 3.38Å; L490-A494 VanDerWaalsContact O-N 3.11Å; A494-S496 PolarHBondContact O-N 2.84Å
495	V	86	Confident	89.8	Confident	56 Å²	56	72.7 Å²	72.7	34%	0.339	43%	0.428	S	S	.	.			trans	-74	122.9	176.9	177.7	0	0	0	0	108.7	L490 T493 V533	L490-V495 HydrophobicContact CD2-CB 4.2Å; L490-V495 HydrophobicContact CD2-CG1 4.43Å; T493-V495 HydrophobicContact CG2-CG2 3.73Å; T493-V495 PolarHBondContact O-N 3.29Å; T493-V495 VanDerWaalsContact O-N 3.08Å; V495-V533 HydrophobicContact CG1-CG1 3.74Å; V495-V533 HydrophobicContact CG1-CG2 4.32Å
496	S	85.7	Confident	89.8	Confident	83 Å²	83	71 Å²	71	58%	0.58	42%	0.422	S	S	*	.			trans	-87	137.4	179.6	-179	0	0	0	0	111.8	A494 G498	A494-S496 PolarHBondContact O-N 2.84Å; S496-G498 VanDerWaalsContact C-N 3.3Å; S496-G498 PolarHBondContact OG-N 2.8Å
497	L	89.1	Confident	89.7	Confident	21 Å²	21	73.1 Å²	73.1	11%	0.11	43%	0.433	C	S	.	.			trans	-89.2	9.4	171	-60.2	-176.3	0	0	0	113.2	F486 L490 G499 V500 L502 A530 V533	F486-L497 HydrophobicContact CE1-CD1 4.39Å; F486-L497 HydrophobicContact CZ-CD2 4.19Å; L490-L497 HydrophobicContact CD1-CD1 3.72Å; L490-L497 HydrophobicContact CD1-CD2 4.41Å; L490-L497 HydrophobicContact CD1-CG 4.05Å; L490-L497 HydrophobicContact CD2-CD2 4Å; L490-L497 HydrophobicContact CD2-CG 4.25Å; L497-G499 PolarHBondContact O-N 3.37Å; L497-V500 WeakPolarHBondContact CB-O 3.47Å; L497-V500 WeakPolarHBondContact CD1-O 3.15Å; L497-V500 PolarHBondContact O-N 3.42Å; L497-L502 HydrophobicContact CD1-CB 4.08Å; L497-A530 HydrophobicContact CB-CB 4.28Å; L497-A530 HydrophobicContact CD2-CB 4.3Å; L497-V533 HydrophobicContact CD2-CB 3.95Å; L497-V533 HydrophobicContact CD2-CG1 3.84Å; L497-V533 HydrophobicContact CD2-CG2 4.36Å
498	G	81.9	Confident	89.7	Confident	54 Å²	54	71 Å²	71	56%	0.557	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	35.7	178.9	0	0	0	0	0	113.8	S496 V500	S496-G498 VanDerWaalsContact C-N 3.3Å; S496-G498 PolarHBondContact OG-N 2.8Å; G498-V500 VanDerWaalsContact C-N 3.33Å; G498-V500 PolarHBondContact O-N 3.04Å
499	G	83.3	Confident	89.5	Confident	85 Å²	85	70.7 Å²	70.7	88%	0.876	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	6.1	178.3	0	0	0	0	0	115.4	L497	L497-G499 PolarHBondContact O-N 3.37Å
500	V	91.3	Very high	89.2	Confident	39 Å²	39	69.6 Å²	69.6	24%	0.236	45%	0.445	C	S	.	.			trans	-91.3	122.8	174.9	-179.7	0	0	0	0	110.2	L497 G498 A530	L497-V500 WeakPolarHBondContact CB-O 3.47Å; L497-V500 WeakPolarHBondContact CD1-O 3.15Å; L497-V500 PolarHBondContact O-N 3.42Å; G498-V500 VanDerWaalsContact C-N 3.33Å; G498-V500 PolarHBondContact O-N 3.04Å; V500-A530 HydrophobicContact CB-CB 4.08Å; V500-A530 HydrophobicContact CG1-CB 4.08Å
501	D	91.8	Very high	89.1	Confident	147 Å²	147	72 Å²	72	79%	0.786	45%	0.453	S	S	*	.			trans	-82	112.7	165.3	-177	14.4	0	0	0	109.4
502	L	93.3	Very high	89.2	Confident	32 Å²	32	64.6 Å²	64.6	17%	0.168	42%	0.418	C	S	.	.			trans	-110.8	125.5	-173.2	-178	68.6	0	0	0	110.9	M483 L497 V504 A530 F534	M483-L502 VanDerWaalsContact CE-O 3.27Å; M483-L502 WeakPolarHBondContact CE-O 3.46Å; L497-L502 HydrophobicContact CD1-CB 4.08Å; L502-V504 HydrophobicContact CD1-CG2 3.99Å; L502-V504 HydrophobicContact CD2-CG2 3.73Å; L502-V504 HydrophobicContact CG-CG2 3.71Å; L502-A530 HydrophobicContact CD2-CB 4.18Å; L502-A530 WeakPolarHBondContact CD2-O 3.5Å; L502-F534 HydrophobicContact CD2-CB 3.95Å
503	T	93.1	Very high	88.9	Confident	80 Å²	80	62 Å²	62	49%	0.491	40%	0.398	S	S	.	.			trans	-120.2	120.3	165.7	-63.6	0	0	0	0	109.6
504	V	93.4	Very high	88.3	Confident	18 Å²	18	61.1 Å²	61.1	11%	0.109	39%	0.394	C	S	.	.			trans	-109.6	138.2	180	-172.7	0	0	0	0	110.1	S479 M483 L502 V506 F534	S479-V504 PolarHBondContact OG-O 3.04Å; M483-V504 WeakPolarHBondContact CG-O 3.31Å; M483-V504 HydrophobicContact SD-CB 3.81Å; M483-V504 HydrophobicContact SD-CG2 4.31Å; M483-V504 PolarHBondContact SD-N 3.45Å; L502-V504 HydrophobicContact CD1-CG2 3.99Å; L502-V504 HydrophobicContact CD2-CG2 3.73Å; L502-V504 HydrophobicContact CG-CG2 3.71Å; V504-V506 HydrophobicContact CG1-CG2 4.26Å; V504-F534 HydrophobicContact CB-CD1 4.14Å; V504-F534 HydrophobicContact CB-CD2 4.32Å; V504-F534 HydrophobicContact CB-CE1 3.85Å; V504-F534 HydrophobicContact CB-CE2 4.03Å; V504-F534 HydrophobicContact CB-CG 4.37Å; V504-F534 HydrophobicContact CB-CZ 3.79Å; V504-F534 HydrophobicContact CG1-CD1 4Å; V504-F534 HydrophobicContact CG1-CE1 3.53Å; V504-F534 HydrophobicContact CG1-CZ 3.85Å; V504-F534 HydrophobicContact CG2-CB 4.42Å; V504-F534 HydrophobicContact CG2-CD1 3.83Å; V504-F534 HydrophobicContact CG2-CD2 4.02Å; V504-F534 HydrophobicContact CG2-CE1 4.09Å; V504-F534 HydrophobicContact CG2-CE2 4.26Å; V504-F534 HydrophobicContact CG2-CG 3.8Å; V504-F534 HydrophobicContact CG2-CZ 4.29Å
505	R	92.5	Very high	87.6	Confident	100 Å²	100	61.7 Å²	61.7	38%	0.377	38%	0.381	S	S	.	.			trans	-111.4	114.3	168.9	-66.4	-171.3	-176.7	119.2	-8.2	110.4	L440 M476 S479 L507	L440-R505 PolarHBondContact O-NH1 3.13Å; M476-R505 HydrophobicContact CE-CB 4.46Å; S479-R505 VanDerWaalsContact OG-CA 3.23Å; S479-R505 WeakPolarHBondContact OG-CA 3.13Å; R505-L507 HydrophobicContact CB-CD2 4.23Å
506	V	93.4	Very high	86.5	Confident	26 Å²	26	64.6 Å²	64.6	16%	0.158	40%	0.403	C	S	.	.			trans	-92.8	122	179.4	-174.6	0	0	0	0	109.4	S479 V504 F534 Y538 L547	S479-V506 PolarHBondContact OG-N 2.91Å; V504-V506 HydrophobicContact CG1-CG2 4.26Å; V506-F534 HydrophobicContact CG2-CE1 4Å; V506-F534 HydrophobicContact CG2-CZ 3.81Å; V506-Y538 HydrophobicContact CB-CE2 4.33Å; V506-Y538 HydrophobicContact CG1-CE2 3.98Å; V506-Y538 HydrophobicContact CG2-CD2 4.2Å; V506-Y538 HydrophobicContact CG2-CE2 3.95Å; V506-L547 HydrophobicContact CG1-CD2 4.02Å
507	L	92.9	Very high	85.7	Confident	46 Å²	46	64 Å²	64	24%	0.241	40%	0.404	C	S	.	.			trans	-119.5	136.8	-171.6	-47.4	-176.8	0	0	0	110.3	L440 M476 R505 T509 W512 M553	L440-L507 HydrophobicContact CD2-CD1 4.04Å; L440-L507 HydrophobicContact CD2-CD2 4.22Å; M476-L507 HydrophobicContact CE-CD2 3.14Å; R505-L507 HydrophobicContact CB-CD2 4.23Å; L507-T509 PolarHBondContact O-N 3.24Å; L507-W512 HydrophobicContact CB-CD2 4.3Å; L507-W512 HydrophobicContact CB-CG 4.03Å; L507-W512 HydrophobicContact CD1-CD2 3.95Å; L507-W512 HydrophobicContact CD1-CE3 4.12Å; L507-W512 HydrophobicContact CD1-CG 4.19Å; L507-W512 HydrophobicContact CD2-CD2 4.25Å; L507-W512 HydrophobicContact CD2-CH2 4.25Å; L507-W512 HydrophobicContact CD2-CZ2 3.76Å; L507-W512 HydrophobicContact CG-CD2 4.4Å; L507-M553 HydrophobicContact CD1-CE 4.42Å
508	T	93.3	Very high	84.9	Confident	57 Å²	57	65.3 Å²	65.3	35%	0.35	41%	0.413	S	S	.	.			trans	-75	124.3	178.4	-61.9	0	0	0	0	110.6	D475 G510 Y511	D475-T508 PolarHBondContact OD1-OG1 3.14Å; D475-T508 VanDerWaalsContact OD2-CB 3.26Å; D475-T508 WeakPolarHBondContact OD2-CB 3.09Å; D475-T508 PolarHBondContact OD2-N 3.38Å; D475-T508 PolarHBondContact OD2-OG1 2.97Å; T508-G510 PolarHBondContact O-N 3.46Å; T508-Y511 HydrophobicContact CG2-CD2 3.92Å; T508-Y511 HydrophobicContact CG2-CE2 4.14Å; T508-Y511 HydrophobicContact CG2-CG 4.24Å; T508-Y511 PolarHBondContact O-N 2.89Å
509	T	88.5	Confident	84.8	Confident	130 Å²	130	63.3 Å²	63.3	80%	0.798	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	132.9	177.6	-60.6	0	0	0	0	110.1	L507	L507-T509 PolarHBondContact O-N 3.24Å
510	G	85.5	Confident	84.7	Confident	42 Å²	42	65.9 Å²	65.9	43%	0.433	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.3	-27.4	-175.7	0	0	0	0	0	114.8	K432 T508	K432-G510 PolarHBondContact NZ-O 2.66Å; T508-G510 PolarHBondContact O-N 3.46Å
511	Y	89.8	Confident	84.7	Confident	82 Å²	82	64.5 Å²	64.5	32%	0.322	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-29.1	172.5	-71.6	-4.7	0	0	0	112.7	K432 K468 M472 T508	K432-Y511 WeakPolarHBondContact CE-O 3.3Å; K432-Y511 PolarHBondContact NZ-O 3.01Å; K468-Y511 HydrophobicContact CB-CD1 4.38Å; K468-Y511 HydrophobicContact CG-CD1 4.1Å; M472-Y511 WeakPolarHBondContact CG-O 3.44Å; T508-Y511 HydrophobicContact CG2-CD2 3.92Å; T508-Y511 HydrophobicContact CG2-CE2 4.14Å; T508-Y511 HydrophobicContact CG2-CG 4.24Å; T508-Y511 PolarHBondContact O-N 2.89Å
512	W	90.4	Very high	84.8	Confident	5 Å²	5	61 Å²	61	2%	0.019	35%	0.35	C	S	.	.	S	Bend	trans	-103.4	148.3	-177.6	-65.6	76.5	0	0	0	111.9	A436 L439 L440 M472 D475 M476 L507 T514	A436-W512 HydrophobicContact CB-CE3 3.81Å; A436-W512 HydrophobicContact CB-CZ3 3.96Å; L439-W512 HydrophobicContact CB-CH2 4.1Å; L439-W512 HydrophobicContact CB-CZ3 4.38Å; L439-W512 HydrophobicContact CD1-CH2 3.89Å; L439-W512 HydrophobicContact CD1-CZ3 4.46Å; L440-W512 HydrophobicContact CD1-CE3 4.2Å; L440-W512 HydrophobicContact CD1-CZ3 3.97Å; L440-W512 HydrophobicContact CD2-CH2 4.27Å; L440-W512 HydrophobicContact CD2-CZ3 3.98Å; L440-W512 HydrophobicContact CG-CE3 4.43Å; L440-W512 HydrophobicContact CG-CH2 4.38Å; L440-W512 HydrophobicContact CG-CZ3 3.73Å; M472-W512 HydrophobicContact CB-CD2 4.4Å; M472-W512 HydrophobicContact CB-CH2 4Å; M472-W512 HydrophobicContact CB-CZ2 3.57Å; M472-W512 HydrophobicContact CE-CD2 4.25Å; M472-W512 HydrophobicContact CE-CE3 3.8Å; M472-W512 HydrophobicContact CE-CH2 4.21Å; M472-W512 HydrophobicContact CE-CZ3 3.77Å; M472-W512 HydrophobicContact CG-CD2 3.85Å; M472-W512 HydrophobicContact CG-CE3 4.34Å; M472-W512 HydrophobicContact CG-CG 4.21Å; M472-W512 HydrophobicContact CG-CH2 4.42Å; M472-W512 HydrophobicContact CG-CZ2 3.96Å; M472-W512 VanDerWaalsContact O-CZ2 3.31Å; M472-W512 WeakPolarHBondContact O-CZ2 3.44Å; D475-W512 HydrophobicContact CB-CZ2 4.18Å; D475-W512 PolarHBondContact OD2-NE1 3.34Å; M476-W512 HydrophobicContact CE-CH2 3.48Å; M476-W512 VanDerWaalsContact CE-CH2 3.48Å; M476-W512 HydrophobicContact CE-CZ2 3.41Å; M476-W512 VanDerWaalsContact CE-CZ2 3.41Å; M476-W512 HydrophobicContact CG-CH2 4.02Å; M476-W512 HydrophobicContact CG-CZ2 4.22Å; M476-W512 HydrophobicContact SD-CH2 3.97Å; M476-W512 HydrophobicContact SD-CZ2 4.37Å; L507-W512 HydrophobicContact CB-CD2 4.3Å; L507-W512 HydrophobicContact CB-CG 4.03Å; L507-W512 HydrophobicContact CD1-CD2 3.95Å; L507-W512 HydrophobicContact CD1-CE3 4.12Å; L507-W512 HydrophobicContact CD1-CG 4.19Å; L507-W512 HydrophobicContact CD2-CD2 4.25Å; L507-W512 HydrophobicContact CD2-CH2 4.25Å; L507-W512 HydrophobicContact CD2-CZ2 3.76Å; L507-W512 HydrophobicContact CG-CD2 4.4Å; W512-T514 HydrophobicContact CB-CG2 4.34Å; W512-T514 PolarHBondContact O-N 2.93Å
513	P	83.8	Confident	84.7	Confident	36 Å²	36	60.3 Å²	60.3	23%	0.234	35%	0.347	C	S	.	.			trans	-71.2	94.9	172.2	29.4	-29	0	0	0	108.2	K432 Q433 A436	K432-P513 HydrophobicContact CG-CG 4.46Å; Q433-P513 HydrophobicContact CG-CB 4.06Å; Q433-P513 HydrophobicContact CG-CG 4.47Å; A436-P513 HydrophobicContact CB-CG 3.49Å; A436-P513 VanDerWaalsContact CB-CG 3.49Å
514	T	72.8	Confident	84.6	Confident	55 Å²	55	57.2 Å²	57.2	34%	0.337	33%	0.328	S	S	.	.			trans	-109.6	149.7	178.6	44.5	0	0	0	0	109.8	W512	W512-T514 HydrophobicContact CB-CG2 4.34Å; W512-T514 PolarHBondContact O-N 2.93Å
515	Q	67.8	Low	84.5	Confident	101 Å²	101	61 Å²	61	47%	0.472	35%	0.353	S	S	.	.			trans	-70	149	173	-64.1	-175.9	15.5	0	0	109.8	A517	Q515-A517 PolarHBondContact O-N 3.48Å
516	S	62.8	Low	84.4	Confident	117 Å²	117	59.2 Å²	59.2	82%	0.818	36%	0.356	S	S	*	.	S	Bend	trans	-62.4	-24.5	180	-45.3	0	0	0	0	112.8
517	A	68.9	Low	84.3	Confident	72 Å²	72	59.3 Å²	59.3	60%	0.595	36%	0.357	S	S	*	.	S	Bend	trans	-131.3	130.7	174.1	0	0	0	0	0	109.9	Q515 P519	Q515-A517 PolarHBondContact O-N 3.48Å; A517-P519 WeakPolarHBondContact O-CD 3.16Å
518	T	73.3	Confident	84.3	Confident	47 Å²	47	62.6 Å²	62.6	29%	0.288	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-71.3	124.4	172.6	-55	0	0	0	0	108.7	K520 L549 Q550	T518-K520 PolarHBondContact O-N 2.9Å; T518-L549 VanDerWaalsContact CG2-O 3.24Å; T518-L549 WeakPolarHBondContact CG2-O 3.23Å; T518-Q550 PolarHBondContact OG1-NE2 3.2Å
519	P	78.3	Confident	84.4	Confident	13 Å²	13	64.7 Å²	64.7	8%	0.084	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-54.7	131	172	-26.1	35.2	0	0	0	110.4	A517 H551 H552 F596 P622	A517-P519 WeakPolarHBondContact O-CD 3.16Å; P519-H551 PolarHBondContact O-ND1 3.43Å; P519-H551 VanDerWaalsContact O-ND1 3.07Å; P519-H552 HydrophobicContact CG-CB 4.34Å; P519-F596 HydrophobicContact CB-CZ 3.86Å; P519-F596 HydrophobicContact CG-CZ 4.39Å; P519-P622 HydrophobicContact CB-CG 4.01Å
520	K	82.6	Confident	84.6	Confident	138 Å²	138	58.5 Å²	58.5	60%	0.6	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-64	147.3	172.5	-61.9	-171	-173.3	177.7	0	109.6	T518 D620 P622	T518-K520 PolarHBondContact O-N 2.9Å; K520-D620 CarbonylContact C-O 3.55Å; K520-D620 HydrophobicContact CB-CB 4.45Å; K520-D620 VanDerWaalsContact CB-O 3.28Å; K520-D620 WeakPolarHBondContact CB-O 3.36Å; K520-D620 WeakPolarHBondContact CB-OD2 3.16Å; K520-D620 WeakPolarHBondContact CD-OD2 3.41Å; K520-P622 WeakPolarHBondContact O-CD 3.46Å
521	C	91	Very high	85	Confident	11 Å²	11	57.8 Å²	57.8	7%	0.074	32%	0.319	C	S	.	.			trans	-167.1	122.9	178.1	-174.5	0	0	0	0	109.7	I523 H551 F596 T619 I621	C521-I523 PolarHBondContact O-N 2.86Å; C521-H551 HydrophobicContact CB-CB 3.86Å; C521-F596 HydrophobicContact CB-CD1 4.42Å; C521-F596 HydrophobicContact CB-CE1 4.03Å; C521-T619 CarbonylContact C-O 3.59Å; C521-T619 VanDerWaalsContact CA-O 3.31Å; C521-T619 WeakPolarHBondContact CA-O 3.46Å; C521-I621 HydrophobicContact CB-CG1 4.48Å
522	N	92.8	Very high	85.2	Confident	72 Å²	72	56.8 Å²	56.8	39%	0.385	32%	0.317	S	S	.	.			trans	-83.3	90.9	173.4	-70.9	-27.3	0	0	0	110.1	T599 E618 T619	N522-T599 VanDerWaalsContact O-CG2 3.26Å; N522-T599 WeakPolarHBondContact O-CG2 3.37Å; N522-E618 VanDerWaalsContact CB-O 3.31Å; N522-E618 WeakPolarHBondContact CB-O 3.46Å; N522-E618 PolarHBondContact ND2-O 3.33Å; N522-T619 PolarHBondContact N-O 2.84Å
523	I	91.1	Very high	85.4	Confident	18 Å²	18	57.5 Å²	57.5	9%	0.092	32%	0.322	C	S	.	.			trans	-61.3	137.3	178.7	-57.5	-179.9	0	0	0	110.9	C521 P527 R528 L549 M598	C521-I523 PolarHBondContact O-N 2.86Å; I523-P527 HydrophobicContact CG2-CB 3.81Å; I523-R528 HydrophobicContact CB-CB 4.43Å; I523-R528 HydrophobicContact CG2-CB 4.25Å; I523-R528 PolarHBondContact O-NE 3.35Å; I523-R528 VanDerWaalsContact O-NE 3.15Å; I523-R528 PolarHBondContact O-NH2 2.88Å; I523-L549 HydrophobicContact CD1-CD2 3.28Å; I523-L549 HydrophobicContact CD1-CG 4.47Å; I523-M598 HydrophobicContact CG2-CE 4.47Å
524	P	91.9	Very high	85.9	Confident	15 Å²	15	55.9 Å²	55.9	10%	0.097	31%	0.311	C	S	.	.			trans	-55.6	156.6	176.1	-25.4	35	0	0	0	113.8	S526 P527 R528 M598 T599 M602	P524-S526 PolarHBondContact O-N 3.29Å; P524-P527 WeakPolarHBondContact O-CD 3.3Å; P524-R528 VanDerWaalsContact O-CB 3.26Å; P524-R528 WeakPolarHBondContact O-CB 3.5Å; P524-R528 PolarHBondContact O-N 2.64Å; P524-R528 VanDerWaalsContact O-N 3.07Å; P524-M598 HydrophobicContact CG-CE 4.35Å; P524-T599 HydrophobicContact CG-CG2 4.49Å; P524-M602 HydrophobicContact CB-CB 4.36Å; P524-M602 HydrophobicContact CB-CG 4.48Å; P524-M602 HydrophobicContact CG-CB 3.86Å; P524-M602 HydrophobicContact CG-CG 4Å
525	P	90.8	Very high	86.9	Confident	98 Å²	98	57.2 Å²	57.2	64%	0.636	31%	0.31	S	S	*	.	H	α-helix	trans	-55.6	-44.6	-173.4	-28.6	35.9	0	0	0	115.3	R528 H529	P525-R528 PolarHBondContact O-N 2.85Å; P525-H529 WeakPolarHBondContact O-CB 3.03Å; P525-H529 PolarHBondContact O-N 3.38Å
526	S	90.7	Very high	88.2	Confident	62 Å²	62	61.1 Å²	61.1	43%	0.434	32%	0.321	S	S	.	.	H	α-helix	trans	-67.1	-50.8	-175	-31.4	0	0	0	0	113	P524 R528 H529 A530	P524-S526 PolarHBondContact O-N 3.29Å; S526-R528 VanDerWaalsContact C-N 3.3Å; S526-R528 PolarHBondContact O-N 3.43Å; S526-H529 PolarHBondContact O-N 3.46Å; S526-A530 PolarHBondContact O-N 3.27Å; S526-A530 VanDerWaalsContact O-N 3.15Å
527	P	92.5	Very high	89.7	Confident	29 Å²	29	57 Å²	57	19%	0.188	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-33	173.4	-21.7	33.5	0	0	0	113.4	I523 P524 A530 F531 M598	I523-P527 HydrophobicContact CG2-CB 3.81Å; P524-P527 WeakPolarHBondContact O-CD 3.3Å; P527-A530 PolarHBondContact O-N 3.1Å; P527-F531 PolarHBondContact O-N 2.83Å; P527-M598 HydrophobicContact CG-CE 4.23Å; P527-M598 HydrophobicContact CG-SD 4.2Å
528	R	92.8	Very high	91	Very high	114 Å²	114	54.1 Å²	54.1	43%	0.43	26%	0.262	S	S	.	.	H	α-helix	trans	-63.1	-44.8	175.3	-176.5	-174	-64.3	158.1	-5.5	111.5	I523 P524 P525 S526 F531 E532	I523-R528 HydrophobicContact CB-CB 4.43Å; I523-R528 HydrophobicContact CG2-CB 4.25Å; I523-R528 PolarHBondContact O-NE 3.35Å; I523-R528 VanDerWaalsContact O-NE 3.15Å; I523-R528 PolarHBondContact O-NH2 2.88Å; P524-R528 VanDerWaalsContact O-CB 3.26Å; P524-R528 WeakPolarHBondContact O-CB 3.5Å; P524-R528 PolarHBondContact O-N 2.64Å; P524-R528 VanDerWaalsContact O-N 3.07Å; P525-R528 PolarHBondContact O-N 2.85Å; S526-R528 VanDerWaalsContact C-N 3.3Å; S526-R528 PolarHBondContact O-N 3.43Å; R528-F531 PolarHBondContact O-N 3.27Å; R528-E532 PolarHBondContact O-N 3.1Å
529	H	93.4	Very high	92	Very high	101 Å²	101	54.6 Å²	54.6	47%	0.468	26%	0.262	S	S	.	.	H	α-helix	trans	-60.1	-48.7	176	177.8	69.6	0	0	0	111.5	P525 S526 F531 E532 V533	P525-H529 WeakPolarHBondContact O-CB 3.03Å; P525-H529 PolarHBondContact O-N 3.38Å; S526-H529 PolarHBondContact O-N 3.46Å; H529-F531 VanDerWaalsContact C-N 3.29Å; H529-F531 PolarHBondContact O-N 3.08Å; H529-E532 PolarHBondContact O-N 3.35Å; H529-E532 VanDerWaalsContact O-N 3.13Å; H529-V533 WeakPolarHBondContact O-CG2 3.44Å; H529-V533 PolarHBondContact O-N 3.14Å
530	A	93.9	Very high	92.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-57.9	-41.9	177.9	0	0	0	0	0	112.1	L497 V500 L502 S526 P527 V533 F534	L497-A530 HydrophobicContact CB-CB 4.28Å; L497-A530 HydrophobicContact CD2-CB 4.3Å; V500-A530 HydrophobicContact CB-CB 4.08Å; V500-A530 HydrophobicContact CG1-CB 4.08Å; L502-A530 HydrophobicContact CD2-CB 4.18Å; L502-A530 WeakPolarHBondContact CD2-O 3.5Å; S526-A530 PolarHBondContact O-N 3.27Å; S526-A530 VanDerWaalsContact O-N 3.15Å; P527-A530 PolarHBondContact O-N 3.1Å; A530-V533 PolarHBondContact O-N 3.33Å; A530-F534 PolarHBondContact O-N 3.04Å
531	F	93.8	Very high	93.1	Very high	27 Å²	27	56.9 Å²	56.9	12%	0.118	29%	0.288	C	S	.	.	H	α-helix	trans	-65.4	-40.4	175.4	177.9	-107.1	0	0	0	112.9	P527 R528 H529 V533 F534 R535 L549	P527-F531 PolarHBondContact O-N 2.83Å; R528-F531 PolarHBondContact O-N 3.27Å; H529-F531 VanDerWaalsContact C-N 3.29Å; H529-F531 PolarHBondContact O-N 3.08Å; F531-V533 VanDerWaalsContact C-N 3.33Å; F531-V533 PolarHBondContact O-N 2.94Å; F531-F534 PolarHBondContact O-N 3.18Å; F531-R535 WeakPolarHBondContact O-CB 3.44Å; F531-R535 PolarHBondContact O-N 2.98Å; F531-L549 HydrophobicContact CD1-CD2 4.03Å; F531-L549 HydrophobicContact CD2-CD1 4.24Å; F531-L549 HydrophobicContact CD2-CD2 4.23Å; F531-L549 HydrophobicContact CE1-CB 4.29Å; F531-L549 HydrophobicContact CE1-CD2 4.05Å; F531-L549 HydrophobicContact CE2-CD1 3.85Å; F531-L549 HydrophobicContact CE2-CD2 4.26Å; F531-L549 HydrophobicContact CE2-CG 4.47Å; F531-L549 HydrophobicContact CG-CD2 4.11Å; F531-L549 HydrophobicContact CZ-CB 4.02Å; F531-L549 HydrophobicContact CZ-CD1 4.18Å; F531-L549 HydrophobicContact CZ-CD2 4.17Å; F531-L549 HydrophobicContact CZ-CG 4.37Å
532	E	93.3	Very high	93.2	Very high	61 Å²	61	58.5 Å²	58.5	29%	0.285	29%	0.294	S	S	.	.	H	α-helix	trans	-66	-34.3	177.8	-77.1	-62.3	140.2	0	0	112.6	R528 H529 R535 R536	R528-E532 PolarHBondContact O-N 3.1Å; H529-E532 PolarHBondContact O-N 3.35Å; H529-E532 VanDerWaalsContact O-N 3.13Å; E532-R535 PolarHBondContact O-N 3.33Å; E532-R535 WeakPolarHBondContact OE1-CD 3.25Å; E532-R535 IonicContact OE1-NH1 2.82Å; E532-R535 PolarHBondContact OE1-NH1 2.83Å; E532-R535 IonicContact OE2-NH1 2.85Å; E532-R536 WeakPolarHBondContact O-CG 3.24Å; E532-R536 PolarHBondContact O-N 2.81Å
533	V	94.6	Very high	93.1	Very high	21 Å²	21	60.4 Å²	60.4	13%	0.127	31%	0.313	C	S	.	.	H	α-helix	trans	-60.8	-49.1	170.5	174.2	0	0	0	0	110.6	F486 L490 V495 L497 H529 A530 F531 R535 R536 F537	F486-V533 HydrophobicContact CE2-CG1 4.21Å; F486-V533 HydrophobicContact CZ-CG1 4.2Å; L490-V533 HydrophobicContact CD2-CG1 4.23Å; V495-V533 HydrophobicContact CG1-CG1 3.74Å; V495-V533 HydrophobicContact CG1-CG2 4.32Å; L497-V533 HydrophobicContact CD2-CB 3.95Å; L497-V533 HydrophobicContact CD2-CG1 3.84Å; L497-V533 HydrophobicContact CD2-CG2 4.36Å; H529-V533 WeakPolarHBondContact O-CG2 3.44Å; H529-V533 PolarHBondContact O-N 3.14Å; A530-V533 PolarHBondContact O-N 3.33Å; F531-V533 VanDerWaalsContact C-N 3.33Å; F531-V533 PolarHBondContact O-N 2.94Å; V533-R535 VanDerWaalsContact C-N 3.35Å; V533-R535 PolarHBondContact O-N 3.42Å; V533-R536 PolarHBondContact O-N 3.49Å; V533-F537 PolarHBondContact O-N 2.74Å; V533-F537 VanDerWaalsContact O-N 3.16Å
534	F	95.3	Very high	93	Very high	1 Å²	1	63.9 Å²	63.9	0%	0.004	35%	0.354	C	S	.	.	H	α-helix	trans	-60.3	-43.3	175.4	175.6	-92.7	0	0	0	112.3	M483 F486 L502 V504 V506 A530 F531 R536 F537 Y538 L547	M483-F534 HydrophobicContact SD-CD2 4.17Å; M483-F534 HydrophobicContact SD-CE2 3.65Å; M483-F534 HydrophobicContact SD-CZ 4.42Å; F486-F534 HydrophobicContact CB-CD2 4.4Å; F486-F534 HydrophobicContact CB-CE2 4.45Å; F486-F534 AromaticContact CD1-CD2 3.82Å; F486-F534 HydrophobicContact CD1-CD2 3.82Å; F486-F534 AromaticContact CD2-CD2 3.99Å; F486-F534 HydrophobicContact CD2-CD2 3.99Å; F486-F534 HydrophobicContact CE1-CB 4.24Å; F486-F534 AromaticContact CE1-CD2 3.98Å; F486-F534 HydrophobicContact CE1-CD2 3.98Å; F486-F534 HydrophobicContact CE2-CB 4.14Å; F486-F534 HydrophobicContact CE2-CD2 4.16Å; F486-F534 AromaticContact CG-CD2 3.8Å; F486-F534 HydrophobicContact CG-CD2 3.8Å; F486-F534 HydrophobicContact CG-CE2 4.32Å; F486-F534 HydrophobicContact CZ-CB 3.83Å; F486-F534 HydrophobicContact CZ-CD2 4.14Å; L502-F534 HydrophobicContact CD2-CB 3.95Å; V504-F534 HydrophobicContact CB-CD1 4.14Å; V504-F534 HydrophobicContact CB-CD2 4.32Å; V504-F534 HydrophobicContact CB-CE1 3.85Å; V504-F534 HydrophobicContact CB-CE2 4.03Å; V504-F534 HydrophobicContact CB-CG 4.37Å; V504-F534 HydrophobicContact CB-CZ 3.79Å; V504-F534 HydrophobicContact CG1-CD1 4Å; V504-F534 HydrophobicContact CG1-CE1 3.53Å; V504-F534 HydrophobicContact CG1-CZ 3.85Å; V504-F534 HydrophobicContact CG2-CB 4.42Å; V504-F534 HydrophobicContact CG2-CD1 3.83Å; V504-F534 HydrophobicContact CG2-CD2 4.02Å; V504-F534 HydrophobicContact CG2-CE1 4.09Å; V504-F534 HydrophobicContact CG2-CE2 4.26Å; V504-F534 HydrophobicContact CG2-CG 3.8Å; V504-F534 HydrophobicContact CG2-CZ 4.29Å; V506-F534 HydrophobicContact CG2-CE1 4Å; V506-F534 HydrophobicContact CG2-CZ 3.81Å; A530-F534 PolarHBondContact O-N 3.04Å; F531-F534 PolarHBondContact O-N 3.18Å; F534-R536 VanDerWaalsContact C-N 3.35Å; F534-R536 PolarHBondContact O-N 2.97Å; F534-F537 HydrophobicContact CD2-CD1 4.44Å; F534-F537 HydrophobicContact CE2-CD1 4.44Å; F534-F537 WeakPolarHBondContact O-CB 3.45Å; F534-F537 PolarHBondContact O-N 3.46Å; F534-Y538 HydrophobicContact CE1-CD2 4.49Å; F534-Y538 HydrophobicContact CZ-CD2 4.22Å; F534-Y538 WeakPolarHBondContact O-CB 3.29Å; F534-Y538 PolarHBondContact O-N 3.05Å; F534-L547 HydrophobicContact CE1-CD1 4.4Å
535	R	94.4	Very high	93.1	Very high	83 Å²	83	69.9 Å²	69.9	31%	0.313	37%	0.374	S	S	.	.	H	α-helix	trans	-59.5	-44.6	-179.5	-176.2	-177	-174.5	178.6	1.6	111.5	F531 E532 V533 Y538 L539 L547	F531-R535 WeakPolarHBondContact O-CB 3.44Å; F531-R535 PolarHBondContact O-N 2.98Å; E532-R535 PolarHBondContact O-N 3.33Å; E532-R535 WeakPolarHBondContact OE1-CD 3.25Å; E532-R535 IonicContact OE1-NH1 2.82Å; E532-R535 PolarHBondContact OE1-NH1 2.83Å; E532-R535 IonicContact OE2-NH1 2.85Å; V533-R535 VanDerWaalsContact C-N 3.35Å; V533-R535 PolarHBondContact O-N 3.42Å; R535-Y538 PolarHBondContact O-N 3.4Å; R535-L539 HydrophobicContact CG-CD1 3.85Å; R535-L539 HydrophobicContact CG-CG 4.39Å; R535-L539 WeakPolarHBondContact O-CB 3.49Å; R535-L539 VanDerWaalsContact O-CG 3.28Å; R535-L539 WeakPolarHBondContact O-CG 3.26Å; R535-L539 PolarHBondContact O-N 3.44Å; R535-L547 HydrophobicContact CG-CD1 4.22Å
536	R	93.6	Very high	93.1	Very high	184 Å²	184	73 Å²	73	69%	0.694	38%	0.381	S	S	*	.	H	α-helix	trans	-62.7	-46.3	176.6	-71.7	174.9	-174.6	-176.1	0.2	111.6	E532 V533 F534 Y538 L539 A540	E532-R536 WeakPolarHBondContact O-CG 3.24Å; E532-R536 PolarHBondContact O-N 2.81Å; V533-R536 PolarHBondContact O-N 3.49Å; F534-R536 VanDerWaalsContact C-N 3.35Å; F534-R536 PolarHBondContact O-N 2.97Å; R536-Y538 PolarHBondContact O-N 3.07Å; R536-L539 PolarHBondContact O-N 2.73Å; R536-A540 WeakPolarHBondContact O-CB 3.35Å; R536-A540 PolarHBondContact O-N 3Å
537	F	94.9	Very high	93.1	Very high	31 Å²	31	71.5 Å²	71.5	14%	0.136	37%	0.367	C	S	.	.	H	α-helix	trans	-55.5	-49.7	174.2	163.1	-97.6	0	0	0	111.7	T482 E485 F486 H489 V533 F534 A540 K541	T482-F537 HydrophobicContact CG2-CE1 4.2Å; E485-F537 HydrophobicContact CB-CZ 4.1Å; F486-F537 HydrophobicContact CB-CD1 4.04Å; F486-F537 HydrophobicContact CB-CE1 3.66Å; F486-F537 HydrophobicContact CB-CZ 4.06Å; F486-F537 HydrophobicContact CD2-CB 3.97Å; F486-F537 AromaticContact CD2-CD1 3.52Å; F486-F537 HydrophobicContact CD2-CD1 3.52Å; F486-F537 HydrophobicContact CD2-CD2 4.2Å; F486-F537 HydrophobicContact CD2-CE1 4.03Å; F486-F537 AromaticContact CD2-CG 3.62Å; F486-F537 HydrophobicContact CD2-CG 3.62Å; F486-F537 HydrophobicContact CE2-CB 4.09Å; F486-F537 HydrophobicContact CE2-CD1 4.37Å; F486-F537 HydrophobicContact CE2-CG 4.25Å; F486-F537 HydrophobicContact CG-CD1 4.15Å; F486-F537 HydrophobicContact CG-CE1 4.28Å; H489-F537 HydrophobicContact CB-CD2 4.04Å; H489-F537 HydrophobicContact CB-CE2 3.86Å; H489-F537 AromaticContact CD2-CD2 3.66Å; H489-F537 AromaticContact CG-CD2 3.8Å; V533-F537 PolarHBondContact O-N 2.74Å; V533-F537 VanDerWaalsContact O-N 3.16Å; F534-F537 HydrophobicContact CD2-CD1 4.44Å; F534-F537 HydrophobicContact CE2-CD1 4.44Å; F534-F537 WeakPolarHBondContact O-CB 3.45Å; F534-F537 PolarHBondContact O-N 3.46Å; F537-A540 PolarHBondContact O-N 3.48Å; F537-K541 PolarHBondContact O-N 3.26Å
538	Y	95.3	Very high	93	Very high	11 Å²	11	74.1 Å²	74.1	4%	0.043	38%	0.383	C	S	.	.	H	α-helix	trans	-64.6	-45.7	-177.7	-173.4	-89.6	0	0	0	112.4	T482 V506 F534 R535 R536 A540 K541 H542 R545 L547	T482-Y538 HydrophobicContact CG2-CD2 4.05Å; T482-Y538 HydrophobicContact CG2-CE2 4.29Å; V506-Y538 HydrophobicContact CB-CE2 4.33Å; V506-Y538 HydrophobicContact CG1-CE2 3.98Å; V506-Y538 HydrophobicContact CG2-CD2 4.2Å; V506-Y538 HydrophobicContact CG2-CE2 3.95Å; F534-Y538 HydrophobicContact CE1-CD2 4.49Å; F534-Y538 HydrophobicContact CZ-CD2 4.22Å; F534-Y538 WeakPolarHBondContact O-CB 3.29Å; F534-Y538 PolarHBondContact O-N 3.05Å; R535-Y538 PolarHBondContact O-N 3.4Å; R536-Y538 PolarHBondContact O-N 3.07Å; Y538-A540 VanDerWaalsContact C-N 3.35Å; Y538-A540 PolarHBondContact O-N 3.27Å; Y538-K541 PolarHBondContact O-N 2.97Å; Y538-H542 HydrophobicContact CD1-CB 4.39Å; Y538-H542 AromaticContact CD2-CD2 3.79Å; Y538-H542 HydrophobicContact CE1-CB 3.99Å; Y538-H542 AromaticContact CE1-CD2 3.86Å; Y538-H542 AromaticContact CE2-CD2 3.45Å; Y538-H542 VanDerWaalsContact CE2-CD2 3.45Å; Y538-H542 WeakPolarHBondContact CE2-CD2 3.4Å; Y538-H542 AromaticContact CE2-NE2 3.92Å; Y538-H542 AromaticContact CZ-CD2 3.49Å; Y538-H542 VanDerWaalsContact CZ-CD2 3.49Å; Y538-H542 WeakPolarHBondContact O-CB 3.24Å; Y538-H542 PolarHBondContact O-CD2 2.88Å; Y538-H542 PolarHBondContact O-N 2.98Å; Y538-R545 HydrophobicContact CE1-CB 4.49Å; Y538-R545 PolarHBondContact OH-NH1 3.07Å; Y538-L547 HydrophobicContact CD1-CD1 3.61Å; Y538-L547 HydrophobicContact CD1-CD2 3.91Å; Y538-L547 HydrophobicContact CD1-CG 3.88Å; Y538-L547 HydrophobicContact CE1-CD1 4.34Å; Y538-L547 HydrophobicContact CE1-CD2 3.77Å; Y538-L547 HydrophobicContact CE1-CG 4.18Å; Y538-L547 HydrophobicContact CG-CD1 3.92Å
539	L	94.9	Very high	92.8	Very high	57 Å²	57	71.4 Å²	71.4	30%	0.298	38%	0.377	S	S	.	.	H	α-helix	trans	-71.9	-27.7	-177.8	-67.8	177.6	0	0	0	113.1	R535 R536 K541 H542 R545	R535-L539 HydrophobicContact CG-CD1 3.85Å; R535-L539 HydrophobicContact CG-CG 4.39Å; R535-L539 WeakPolarHBondContact O-CB 3.49Å; R535-L539 VanDerWaalsContact O-CG 3.28Å; R535-L539 WeakPolarHBondContact O-CG 3.26Å; R535-L539 PolarHBondContact O-N 3.44Å; R536-L539 PolarHBondContact O-N 2.73Å; L539-K541 VanDerWaalsContact C-N 3.3Å; L539-H542 CarbonylContact O-C 3.48Å; L539-R545 WeakPolarHBondContact CD2-O 3.33Å
540	A	92.7	Very high	92.5	Very high	91 Å²	91	68.6 Å²	68.6	75%	0.752	36%	0.364	S	S	*	.	H	α-helix	trans	-64.3	-36.6	172	0	0	0	0	0	111.8	R536 F537 Y538	R536-A540 WeakPolarHBondContact O-CB 3.35Å; R536-A540 PolarHBondContact O-N 3Å; F537-A540 PolarHBondContact O-N 3.48Å; Y538-A540 VanDerWaalsContact C-N 3.35Å; Y538-A540 PolarHBondContact O-N 3.27Å
541	K	92.2	Very high	92.2	Very high	108 Å²	108	69.9 Å²	69.9	47%	0.47	37%	0.37	S	S	.	.	H	α-helix	trans	-84.3	-28.2	177.8	-170.4	170.4	179.7	172	0	113.3	E485 F537 Y538 L539	E485-K541 IonicContact OE1-NZ 3.6Å; E485-K541 PolarHBondContact OE1-NZ 3.42Å; E485-K541 IonicContact OE2-NZ 2.82Å; E485-K541 PolarHBondContact OE2-NZ 3.2Å; F537-K541 PolarHBondContact O-N 3.26Å; Y538-K541 PolarHBondContact O-N 2.97Å; L539-K541 VanDerWaalsContact C-N 3.3Å
542	H	92.4	Very high	91.7	Very high	44 Å²	44	71.1 Å²	71.1	20%	0.204	38%	0.376	C	S	.	.	S	Bend	trans	-124.4	77.6	-175.7	-60.5	-66.4	0	0	0	111.9	Y538 L539 R545	Y538-H542 HydrophobicContact CD1-CB 4.39Å; Y538-H542 AromaticContact CD2-CD2 3.79Å; Y538-H542 HydrophobicContact CE1-CB 3.99Å; Y538-H542 AromaticContact CE1-CD2 3.86Å; Y538-H542 AromaticContact CE2-CD2 3.45Å; Y538-H542 VanDerWaalsContact CE2-CD2 3.45Å; Y538-H542 WeakPolarHBondContact CE2-CD2 3.4Å; Y538-H542 AromaticContact CE2-NE2 3.92Å; Y538-H542 AromaticContact CZ-CD2 3.49Å; Y538-H542 VanDerWaalsContact CZ-CD2 3.49Å; Y538-H542 WeakPolarHBondContact O-CB 3.24Å; Y538-H542 PolarHBondContact O-CD2 2.88Å; Y538-H542 PolarHBondContact O-N 2.98Å; L539-H542 CarbonylContact O-C 3.48Å; H542-R545 HydrophobicContact CB-CG 4.15Å
543	S	90.8	Very high	91.2	Very high	113 Å²	113	71.5 Å²	71.5	79%	0.79	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	144.8	176.3	58.6	0	0	0	0	112	R545	S543-R545 VanDerWaalsContact C-N 3.3Å; S543-R545 PolarHBondContact O-N 3.19Å
544	G	89.8	Confident	90.9	Very high	91 Å²	91	71.9 Å²	71.9	94%	0.938	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	3.8	179.6	0	0	0	0	0	115.7
545	R	92.9	Very high	90.6	Very high	140 Å²	140	76.8 Å²	76.8	53%	0.528	42%	0.421	S	S	.	.			trans	-95.4	154.3	174.5	-61.5	-163.7	-178	-172.5	-4.2	112.4	Y538 L539 H542 S543	Y538-R545 HydrophobicContact CE1-CB 4.49Å; Y538-R545 PolarHBondContact OH-NH1 3.07Å; L539-R545 WeakPolarHBondContact CD2-O 3.33Å; H542-R545 HydrophobicContact CB-CG 4.15Å; S543-R545 VanDerWaalsContact C-N 3.3Å; S543-R545 PolarHBondContact O-N 3.19Å
546	Q	90.6	Very high	90.6	Very high	165 Å²	165	73.9 Å²	73.9	77%	0.771	41%	0.414	S	S	*	.			trans	-120.4	131.4	170.2	-172.6	179.3	13.4	0	0	109.6
547	L	91.1	Very high	90.6	Very high	29 Å²	29	69 Å²	69	15%	0.152	40%	0.402	C	S	.	.			trans	-97.6	130	173.4	-69.4	179	0	0	0	110.2	V506 F534 R535 Y538	V506-L547 HydrophobicContact CG1-CD2 4.02Å; F534-L547 HydrophobicContact CE1-CD1 4.4Å; R535-L547 HydrophobicContact CG-CD1 4.22Å; Y538-L547 HydrophobicContact CD1-CD1 3.61Å; Y538-L547 HydrophobicContact CD1-CD2 3.91Å; Y538-L547 HydrophobicContact CD1-CG 3.88Å; Y538-L547 HydrophobicContact CE1-CD1 4.34Å; Y538-L547 HydrophobicContact CE1-CD2 3.77Å; Y538-L547 HydrophobicContact CE1-CG 4.18Å; Y538-L547 HydrophobicContact CG-CD1 3.92Å
548	T	89.6	Confident	90.6	Very high	85 Å²	85	69 Å²	69	52%	0.521	40%	0.403	S	S	.	.			trans	-119.9	119.8	172.8	-58.4	0	0	0	0	108.7
549	L	89.1	Confident	90.5	Very high	56 Å²	56	75.2 Å²	75.2	29%	0.293	44%	0.437	S	S	.	.			trans	-82.1	126.9	-176.4	-172.8	58	0	0	0	111.2	T518 I523 F531 H551	T518-L549 VanDerWaalsContact CG2-O 3.24Å; T518-L549 WeakPolarHBondContact CG2-O 3.23Å; I523-L549 HydrophobicContact CD1-CD2 3.28Å; I523-L549 HydrophobicContact CD1-CG 4.47Å; F531-L549 HydrophobicContact CD1-CD2 4.03Å; F531-L549 HydrophobicContact CD2-CD1 4.24Å; F531-L549 HydrophobicContact CD2-CD2 4.23Å; F531-L549 HydrophobicContact CE1-CB 4.29Å; F531-L549 HydrophobicContact CE1-CD2 4.05Å; F531-L549 HydrophobicContact CE2-CD1 3.85Å; F531-L549 HydrophobicContact CE2-CD2 4.26Å; F531-L549 HydrophobicContact CE2-CG 4.47Å; F531-L549 HydrophobicContact CG-CD2 4.11Å; F531-L549 HydrophobicContact CZ-CB 4.02Å; F531-L549 HydrophobicContact CZ-CD1 4.18Å; F531-L549 HydrophobicContact CZ-CD2 4.17Å; F531-L549 HydrophobicContact CZ-CG 4.37Å; L549-H551 PolarHBondContact O-N 2.99Å
550	Q	88.6	Confident	90.4	Very high	43 Å²	43	73.2 Å²	73.2	20%	0.201	43%	0.43	C	S	.	.			trans	-96.3	86	-179.1	-66.4	-61.6	-27.2	0	0	111.4	T518 H552 M553	T518-Q550 PolarHBondContact OG1-NE2 3.2Å; Q550-H552 VanDerWaalsContact C-N 3.3Å; Q550-H552 PolarHBondContact O-N 3.16Å; Q550-H552 PolarHBondContact OE1-CE1 3.29Å; Q550-M553 HydrophobicContact CB-CB 4.32Å; Q550-M553 HydrophobicContact CB-CG 4.14Å; Q550-M553 HydrophobicContact CB-SD 3.84Å; Q550-M553 HydrophobicContact CG-SD 4.18Å; Q550-M553 PolarHBondContact O-N 2.99Å; Q550-M553 VanDerWaalsContact O-N 3.11Å
551	H	87.3	Confident	90.4	Very high	27 Å²	27	71.4 Å²	71.4	13%	0.125	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-54.4	-41.6	-173.8	-54.6	107.3	0	0	0	114	P519 C521 L549 M553 G554 T595 F596	P519-H551 PolarHBondContact O-ND1 3.43Å; P519-H551 VanDerWaalsContact O-ND1 3.07Å; C521-H551 HydrophobicContact CB-CB 3.86Å; L549-H551 PolarHBondContact O-N 2.99Å; H551-M553 PolarHBondContact O-N 3.35Å; H551-G554 PolarHBondContact O-N 3.17Å; H551-T595 HydrophobicContact CB-CG2 4.49Å; H551-T595 VanDerWaalsContact O-CB 3.22Å; H551-T595 WeakPolarHBondContact O-CB 3.43Å; H551-T595 PolarHBondContact O-OG1 2.88Å; H551-F596 HydrophobicContact CB-CE1 3.75Å; H551-F596 HydrophobicContact CB-CZ 4.32Å
552	H	81.9	Confident	90.2	Very high	53 Å²	53	66.5 Å²	66.5	25%	0.245	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-68.8	-14.3	-176.8	69.3	-78.4	0	0	0	114.4	P519 Q550 F596	P519-H552 HydrophobicContact CG-CB 4.34Å; Q550-H552 VanDerWaalsContact C-N 3.3Å; Q550-H552 PolarHBondContact O-N 3.16Å; Q550-H552 PolarHBondContact OE1-CE1 3.29Å; H552-F596 HydrophobicContact CB-CE2 3.77Å; H552-F596 HydrophobicContact CB-CZ 3.79Å
553	M	83.5	Confident	89.8	Confident	68 Å²	68	70.6 Å²	70.6	34%	0.335	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-99.5	-4.8	-177.3	-58.1	178.3	66.9	0	0	112.9	L440 L507 Q550 H551	L440-M553 HydrophobicContact CD1-CE 3.14Å; L507-M553 HydrophobicContact CD1-CE 4.42Å; Q550-M553 HydrophobicContact CB-CB 4.32Å; Q550-M553 HydrophobicContact CB-CG 4.14Å; Q550-M553 HydrophobicContact CB-SD 3.84Å; Q550-M553 HydrophobicContact CG-SD 4.18Å; Q550-M553 PolarHBondContact O-N 2.99Å; Q550-M553 VanDerWaalsContact O-N 3.11Å; H551-M553 PolarHBondContact O-N 3.35Å
554	G	87.5	Confident	88.8	Confident	29 Å²	29	65.4 Å²	65.4	30%	0.299	37%	0.367	S	S	.	.			trans	-90.7	162.8	-177.4	0	0	0	0	0	114.1	H551 T595	H551-G554 PolarHBondContact O-N 3.17Å; G554-T595 VanDerWaalsContact CA-OG1 3.27Å; G554-T595 WeakPolarHBondContact CA-OG1 3.45Å; G554-T595 PolarHBondContact O-N 3.44Å; G554-T595 PolarHBondContact O-OG1 3.16Å
555	S	90.5	Very high	87.4	Confident	105 Å²	105	64.8 Å²	64.8	73%	0.734	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.4	155.5	172.4	58.6	0	0	0	0	110.4	V593	S555-V593 CarbonylContact C-O 3.56Å; S555-V593 WeakPolarHBondContact CA-O 3.47Å; S555-V593 WeakPolarHBondContact CB-O 3.31Å
556	A	93.1	Very high	85.6	Confident	21 Å²	21	63.6 Å²	63.6	17%	0.174	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	151.1	176.6	0	0	0	0	0	110.7	V593 M598	A556-V593 HydrophobicContact CB-CG2 4.37Å; A556-V593 PolarHBondContact N-O 3.33Å; A556-V593 WeakPolarHBondContact O-CG2 3.5Å; A556-V593 PolarHBondContact O-N 3.12Å; A556-M598 HydrophobicContact CB-CB 4.11Å; A556-M598 HydrophobicContact CB-CG 3.9Å; A556-M598 HydrophobicContact CB-SD 3.49Å; A556-M598 WeakPolarHBondContact CB-SD 3.26Å
557	D	94.3	Very high	83.6	Confident	81 Å²	81	65 Å²	65	43%	0.433	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.4	167.9	-69.4	-43.6	0	0	0	108.3	I590 L591 Q592 R670	D557-I590 HydrophobicContact CB-CG2 3.98Å; D557-L591 CarbonylContact C-O 3.29Å; D557-L591 WeakPolarHBondContact CA-O 3.32Å; D557-Q592 WeakPolarHBondContact OD1-CA 3.44Å; D557-Q592 VanDerWaalsContact OD1-CB 3.29Å; D557-Q592 WeakPolarHBondContact OD1-CB 3.26Å; D557-Q592 WeakPolarHBondContact OD1-CG 3.49Å; D557-Q592 PolarHBondContact OD1-NE2 3.25Å; D557-R670 VanDerWaalsContact CG-NH2 3.28Å; D557-R670 IonicContact OD1-NE 2.8Å; D557-R670 IonicContact OD1-NH2 2.61Å; D557-R670 IonicContact OD2-CZ 2.87Å; D557-R670 IonicContact OD2-NE 3.3Å; D557-R670 IonicContact OD2-NH2 3.92Å; D557-R670 PolarHBondContact OD2-NH2 2.94Å
558	L	94.3	Very high	81.6	Confident	31 Å²	31	70 Å²	70	16%	0.162	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.8	-177.8	-67.9	-179.8	0	0	0	110.9	A560 I590 L591 V593 M598 L601 M602	L558-A560 PolarHBondContact O-N 3.19Å; L558-I590 CarbonylContact O-C 3.56Å; L558-I590 WeakPolarHBondContact O-CA 3.36Å; L558-L591 HydrophobicContact CB-CB 4.42Å; L558-L591 PolarHBondContact N-O 2.92Å; L558-L591 PolarHBondContact O-N 2.86Å; L558-V593 HydrophobicContact CD1-CG2 3.96Å; L558-V593 HydrophobicContact CG-CG2 4.16Å; L558-M598 HydrophobicContact CD1-CB 4.29Å; L558-M598 HydrophobicContact CD1-CG 3.99Å; L558-M598 HydrophobicContact CD2-CG 3.93Å; L558-M598 HydrophobicContact CG-CG 4.22Å; L558-L601 HydrophobicContact CD1-CB 4.18Å; L558-L601 HydrophobicContact CD1-CD1 4.02Å; L558-M602 HydrophobicContact CD2-SD 4.37Å
559	N	93.7	Very high	79.8	Confident	142 Å²	142	76.2 Å²	76.2	76%	0.759	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	106.3	167.9	-68	-38.4	0	0	0	108.7
560	A	93.1	Very high	78	Confident	16 Å²	16	80.4 Å²	80.4	13%	0.132	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.6	179.8	0	0	0	0	0	110.7	L558 F562 K588 H589 L591	L558-A560 PolarHBondContact O-N 3.19Å; A560-F562 HydrophobicContact CB-CE2 3.64Å; A560-F562 HydrophobicContact CB-CZ 3.87Å; A560-K588 WeakPolarHBondContact O-CA 3.47Å; A560-H589 PolarHBondContact N-O 3.5Å; A560-H589 PolarHBondContact O-N 2.97Å; A560-L591 HydrophobicContact CB-CD1 3.57Å; A560-L591 HydrophobicContact CB-CG 3.73Å
561	T	91.4	Very high	76.1	Confident	52 Å²	52	82.1 Å²	82.1	32%	0.319	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.8	174.9	-57.3	0	0	0	0	108.5	Y563 T586 R587 K588	T561-Y563 HydrophobicContact CG2-CE1 4Å; T561-Y563 HydrophobicContact CG2-CE2 4.09Å; T561-T586 HydrophobicContact CG2-CG2 3.27Å; T561-R587 WeakPolarHBondContact CA-O 3.1Å; T561-K588 HydrophobicContact CG2-CG 4.37Å
562	F	89.3	Confident	74.3	Confident	6 Å²	6	84 Å²	84	3%	0.026	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.1	176.1	-57.4	-86.7	0	0	0	108.8	A560 T586 R587 H589 L591 V642 V660 F664	A560-F562 HydrophobicContact CB-CE2 3.64Å; A560-F562 HydrophobicContact CB-CZ 3.87Å; F562-T586 CarbonylContact O-C 3.6Å; F562-T586 WeakPolarHBondContact O-CA 2.71Å; F562-R587 HydrophobicContact CB-CB 4.49Å; F562-R587 PolarHBondContact N-O 3.47Å; F562-R587 PolarHBondContact O-N 3.03Å; F562-H589 AromaticContact CD2-CD2 4Å; F562-L591 HydrophobicContact CZ-CD1 4.41Å; F562-V642 HydrophobicContact CE1-CG1 3.59Å; F562-V642 HydrophobicContact CZ-CG1 3.45Å; F562-V642 VanDerWaalsContact CZ-CG1 3.45Å; F562-V660 HydrophobicContact CD1-CG1 4.18Å; F562-V660 HydrophobicContact CE1-CG1 4.13Å; F562-F664 HydrophobicContact CD1-CB 4.21Å; F562-F664 HydrophobicContact CD2-CD1 4.14Å; F562-F664 HydrophobicContact CE1-CB 4.19Å; F562-F664 HydrophobicContact CE1-CD1 4.41Å; F562-F664 AromaticContact CE2-CD1 3.74Å; F562-F664 HydrophobicContact CE2-CD1 3.74Å; F562-F664 HydrophobicContact CE2-CE1 4.33Å; F562-F664 AromaticContact CZ-CD1 3.91Å; F562-F664 HydrophobicContact CZ-CD1 3.91Å; F562-F664 HydrophobicContact CZ-CG 4.44Å
563	Y	83.4	Confident	72.4	Confident	129 Å²	129	90.5 Å²	90.5	51%	0.506	50%	0.495	S	S	.	.			trans	-99	-5.7	-169.9	-64.9	-85.7	0	0	0	113.5	T561 T586 D662	T561-Y563 HydrophobicContact CG2-CE1 4Å; T561-Y563 HydrophobicContact CG2-CE2 4.09Å; Y563-T586 HydrophobicContact CD1-CG2 4.32Å; Y563-T586 HydrophobicContact CE1-CG2 4.35Å; Y563-D662 PolarHBondContact N-OD1 3.42Å
564	G	69.6	Low	70.7	Confident	5 Å²	5	91.9 Å²	91.9	5%	0.052	51%	0.507	C	S	.	.			trans	68.8	177.8	-179.9	0	0	0	0	0	112.9	I566 D662	G564-I566 PolarHBondContact O-N 3.35Å; G564-D662 WeakPolarHBondContact CA-O 3.42Å
565	P	61	Low	68.7	Low	77 Å²	77	93.7 Å²	93.7	50%	0.5	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-67.5	127.1	176.2	26.2	-31.4	0	0	0	110.8	K567	P565-K567 PolarHBondContact O-N 3.32Å
566	I	54.9	Low	66.6	Low	115 Å²	115	94 Å²	94	59%	0.59	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-70.2	117.7	173.6	-58.1	171.5	0	0	0	108	G564	G564-I566 PolarHBondContact O-N 3.35Å
567	K	48.9	Very low	64	Low	195 Å²	195	95.3 Å²	95.3	85%	0.848	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-96.7	125.5	169.1	-69.5	-171.3	178.9	-173.5	0	109.3	P565	P565-K567 PolarHBondContact O-N 3.32Å
568	K	48.1	Very low	61.9	Low	134 Å²	134	95.2 Å²	95.2	58%	0.583	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-86.3	156	164.4	-74.4	-172.4	177.8	-179.7	0	110.3	D570 G571	K568-D570 PolarHBondContact O-N 3.46Å; K568-G571 PolarHBondContact O-N 3.25Å
569	E	51.3	Low	59.3	Low	216 Å²	216	98 Å²	98	100%	1.009	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-7.4	-178.6	-80.7	-176.9	154	0	0	115.4
570	D	51.5	Low	57	Low	144 Å²	144	100.3 Å²	100.3	77%	0.77	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.1	26.6	-177.7	-155.8	18.5	0	0	0	114.2	K568 S572	K568-D570 PolarHBondContact O-N 3.46Å; D570-S572 PolarHBondContact O-N 3.04Å
571	G	50.3	Low	54.7	Low	79 Å²	79	104.5 Å²	104.5	81%	0.814	61%	0.614	S	S	*	*	S	Bend	trans	67.2	1.9	167.1	0	0	0	0	0	117.4	K568	K568-G571 PolarHBondContact O-N 3.25Å
572	S	48.6	Very low	52.3	Low	67 Å²	67	108.6 Å²	108.6	47%	0.469	64%	0.639	S	S	.	*			trans	-99.1	129.7	176.8	42.7	0	0	0	0	112.1	D570	D570-S572 PolarHBondContact O-N 3.04Å
573	E	41.4	Very low	50.2	Low	188 Å²	188	111.5 Å²	111.5	88%	0.879	67%	0.671	S	S	*	*			trans	-75.5	124.9	173.1	-66.5	-173.2	161.8	0	0	109.7
574	V	47.5	Very low	48.7	Very low	98 Å²	98	110.8 Å²	110.8	59%	0.594	69%	0.685	S	S	*	*			trans	-130.4	138.9	167.9	-163	0	0	0	0	109.3
575	G	46.5	Very low	48.5	Very low	67 Å²	67	114.8 Å²	114.8	69%	0.691	71%	0.705	S	S	*	*			trans	-58.2	169.1	179.7	0	0	0	0	0	115.5
576	V	46.5	Very low	49.2	Very low	111 Å²	111	114.5 Å²	114.5	67%	0.673	70%	0.702	S	S	*	*			trans	-34.4	125.2	-173.2	-155.9	0	0	0	0	114	E608	V576-E608 HydrophobicContact CG1-CB 4.46Å; V576-E608 HydrophobicContact CG1-CG 4.09Å; V576-E608 WeakPolarHBondContact CG1-OE1 3.33Å; V576-E608 WeakPolarHBondContact CG1-OE2 3.48Å
577	G	37.3	Very low	50.7	Low	48 Å²	48	112.4 Å²	112.4	50%	0.495	69%	0.687	S	S	.	*			trans	-169.9	117.3	172.1	0	0	0	0	0	110.7	A579	G577-A579 PolarHBondContact O-N 3.47Å
578	G	51.6	Low	52.6	Low	79 Å²	79	110 Å²	110	81%	0.814	68%	0.676	S	S	*	*			trans	-65.8	120.3	177.7	0	0	0	0	0	112.8
579	A	39.8	Very low	54.7	Low	91 Å²	91	104.4 Å²	104.4	75%	0.752	65%	0.652	S	S	*	*			trans	-167.7	132	146.8	0	0	0	0	0	109.7	G577	G577-A579 PolarHBondContact O-N 3.47Å
580	Q	44.7	Very low	56.8	Low	189 Å²	189	95.6 Å²	95.6	88%	0.883	61%	0.612	S	S	*	*			trans	28.9	98	166.7	-73.2	179.7	-28.2	0	0	117.9	T582	Q580-T582 PolarHBondContact O-N 3.26Å
581	V	44.6	Very low	58.8	Low	104 Å²	104	88.9 Å²	88.9	63%	0.63	58%	0.576	S	S	*	*			trans	-79.1	103.7	172.6	-175.8	0	0	0	0	110.1
582	T	41.1	Very low	60.8	Low	138 Å²	138	87.8 Å²	87.8	85%	0.847	55%	0.55	S	S	*	.			trans	-91.3	94.5	162.5	42.5	0	0	0	0	109.5	Q580	Q580-T582 PolarHBondContact O-N 3.26Å
583	G	45.1	Very low	63	Low	68 Å²	68	84.9 Å²	84.9	70%	0.701	53%	0.529	S	S	*	.	S	Bend	trans	59.8	115.4	152.8	0	0	0	0	0	120.4
584	S	52.3	Low	65.4	Low	114 Å²	114	76.9 Å²	76.9	80%	0.797	49%	0.494	S	S	*	.	S	Bend		160.9	-12.3	119	-179.7	0	0	0	0	114.9
585	N	65.9	Low	67.5	Low	89 Å²	89	73.1 Å²	73.1	48%	0.476	47%	0.471	S	S	.	.			trans	-135.9	30.4	-173.4	-119.3	-10.5	0	0	0	116	R587	N585-R587 PolarHBondContact O-N 2.92Å
586	T	75.8	Confident	69.7	Low	71 Å²	71	70.4 Å²	70.4	44%	0.436	44%	0.44	S	S	.	.			trans	-68.9	119.6	172.4	-47.6	0	0	0	0	110.6	T561 F562 Y563	T561-T586 HydrophobicContact CG2-CG2 3.27Å; F562-T586 CarbonylContact O-C 3.6Å; F562-T586 WeakPolarHBondContact O-CA 2.71Å; Y563-T586 HydrophobicContact CD1-CG2 4.32Å; Y563-T586 HydrophobicContact CE1-CG2 4.35Å
587	R	84.9	Confident	72	Confident	71 Å²	71	65.1 Å²	65.1	27%	0.268	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.6	178.9	-62.5	173.5	-170.8	150.8	2	109.9	T561 F562 N585 F664	T561-R587 WeakPolarHBondContact CA-O 3.1Å; F562-R587 HydrophobicContact CB-CB 4.49Å; F562-R587 PolarHBondContact N-O 3.47Å; F562-R587 PolarHBondContact O-N 3.03Å; N585-R587 PolarHBondContact O-N 2.92Å; R587-F664 PolarHBondContact NH1-O 2.66Å
588	K	89.9	Confident	74.7	Confident	144 Å²	144	63.4 Å²	63.4	63%	0.626	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	132.6	178.7	-64.6	-177.2	179.3	-179	0	110.1	A560 T561	A560-K588 WeakPolarHBondContact O-CA 3.47Å; T561-K588 HydrophobicContact CG2-CG 4.37Å
589	H	92.4	Very high	76.8	Confident	17 Å²	17	59.9 Å²	59.9	8%	0.079	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.8	176.5	-67.9	-73.9	0	0	0	110.3	A560 F562 L591 F664 L668 H669 V671	A560-H589 PolarHBondContact N-O 3.5Å; A560-H589 PolarHBondContact O-N 2.97Å; F562-H589 AromaticContact CD2-CD2 4Å; H589-L591 HydrophobicContact CB-CD2 4.16Å; H589-F664 AromaticContact CD2-CD1 3.99Å; H589-F664 AromaticContact CD2-CE1 3.8Å; H589-L668 PolarHBondContact ND1-O 3.03Å; H589-H669 WeakPolarHBondContact CA-O 3.36Å; H589-V671 HydrophobicContact CB-CG2 4.47Å
590	I	94.4	Very high	79.4	Confident	30 Å²	30	55.5 Å²	55.5	15%	0.154	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	110.7	166.3	-59.1	176.8	0	0	0	107.5	D557 L558 H669 R670 V671	D557-I590 HydrophobicContact CB-CG2 3.98Å; L558-I590 CarbonylContact O-C 3.56Å; L558-I590 WeakPolarHBondContact O-CA 3.36Å; I590-H669 PolarHBondContact N-O 2.89Å; I590-R670 HydrophobicContact CB-CB 4.43Å; I590-R670 HydrophobicContact CB-CG 4.06Å; I590-R670 HydrophobicContact CG2-CG 4.05Å; I590-R670 CarbonylContact O-C 3.39Å; I590-R670 WeakPolarHBondContact O-CA 3.43Å; I590-V671 PolarHBondContact O-N 3.48Å
591	L	94.5	Very high	81.8	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.016	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	118.8	178.9	-54.2	-178.8	0	0	0	109.8	D557 L558 A560 F562 H589 V593 L601 V642 V671 I673	D557-L591 CarbonylContact C-O 3.29Å; D557-L591 WeakPolarHBondContact CA-O 3.32Å; L558-L591 HydrophobicContact CB-CB 4.42Å; L558-L591 PolarHBondContact N-O 2.92Å; L558-L591 PolarHBondContact O-N 2.86Å; A560-L591 HydrophobicContact CB-CD1 3.57Å; A560-L591 HydrophobicContact CB-CG 3.73Å; F562-L591 HydrophobicContact CZ-CD1 4.41Å; H589-L591 HydrophobicContact CB-CD2 4.16Å; L591-V593 HydrophobicContact CB-CG1 4.06Å; L591-L601 HydrophobicContact CD1-CD1 4.24Å; L591-V642 HydrophobicContact CD1-CG1 3.89Å; L591-V642 HydrophobicContact CD1-CG2 4.23Å; L591-V671 WeakPolarHBondContact CA-O 3.43Å; L591-V671 HydrophobicContact CD2-CB 4.1Å; L591-I673 HydrophobicContact CB-CD1 4.29Å; L591-I673 HydrophobicContact CD1-CD1 4.27Å; L591-I673 HydrophobicContact CD2-CD1 4.32Å
592	Q	92.9	Very high	84.1	Confident	57 Å²	57	45.4 Å²	45.4	27%	0.266	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	115.2	171	-37.2	-158.4	-84.1	0	0	109	D557 R670 V671 K672 I673	D557-Q592 WeakPolarHBondContact OD1-CA 3.44Å; D557-Q592 VanDerWaalsContact OD1-CB 3.29Å; D557-Q592 WeakPolarHBondContact OD1-CB 3.26Å; D557-Q592 WeakPolarHBondContact OD1-CG 3.49Å; D557-Q592 PolarHBondContact OD1-NE2 3.25Å; Q592-R670 HydrophobicContact CG-CG 3.77Å; Q592-V671 PolarHBondContact N-O 2.93Å; Q592-K672 HydrophobicContact CB-CB 4.39Å; Q592-K672 HydrophobicContact CB-CG 4.34Å; Q592-I673 PolarHBondContact O-N 3.37Å
593	V	93.2	Very high	86.6	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.03	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	159.3	-169.6	-63.2	0	0	0	0	111.4	S555 A556 L558 L591 Q597 M598 L601 I673	S555-V593 CarbonylContact C-O 3.56Å; S555-V593 WeakPolarHBondContact CA-O 3.47Å; S555-V593 WeakPolarHBondContact CB-O 3.31Å; A556-V593 HydrophobicContact CB-CG2 4.37Å; A556-V593 PolarHBondContact N-O 3.33Å; A556-V593 WeakPolarHBondContact O-CG2 3.5Å; A556-V593 PolarHBondContact O-N 3.12Å; L558-V593 HydrophobicContact CD1-CG2 3.96Å; L558-V593 HydrophobicContact CG-CG2 4.16Å; L591-V593 HydrophobicContact CB-CG1 4.06Å; V593-Q597 HydrophobicContact CB-CB 3.78Å; V593-Q597 HydrophobicContact CG1-CB 4.31Å; V593-Q597 HydrophobicContact CG2-CB 4.48Å; V593-M598 HydrophobicContact CG2-CB 3.9Å; V593-L601 HydrophobicContact CG1-CD1 4.13Å; V593-I673 HydrophobicContact CG1-CB 4.14Å; V593-I673 HydrophobicContact CG1-CD1 3.69Å; V593-I673 HydrophobicContact CG1-CG1 4.11Å
594	S	91.9	Very high	88.9	Confident	20 Å²	20	38 Å²	38	14%	0.14	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	161.7	164.9	62.6	0	0	0	0	111.2	F596 Q597 M598	S594-F596 VanDerWaalsContact C-N 3.27Å; S594-F596 PolarHBondContact O-N 3.26Å; S594-Q597 PolarHBondContact O-N 3.31Å; S594-Q597 VanDerWaalsContact OG-CD 3.25Å; S594-Q597 VanDerWaalsContact OG-CG 3.28Å; S594-Q597 WeakPolarHBondContact OG-CG 3.48Å; S594-Q597 PolarHBondContact OG-N 3.28Å; S594-Q597 PolarHBondContact OG-OE1 3.49Å; S594-M598 PolarHBondContact O-N 3.45Å
595	T	91.8	Very high	90.8	Very high	19 Å²	19	38 Å²	38	12%	0.117	19%	0.19	C	C	.	.	H	α-helix	trans	-59	-35.7	176.8	-58.1	0	0	0	0	113.1	H551 G554 M598 T599	H551-T595 HydrophobicContact CB-CG2 4.49Å; H551-T595 VanDerWaalsContact O-CB 3.22Å; H551-T595 WeakPolarHBondContact O-CB 3.43Å; H551-T595 PolarHBondContact O-OG1 2.88Å; G554-T595 VanDerWaalsContact CA-OG1 3.27Å; G554-T595 WeakPolarHBondContact CA-OG1 3.45Å; G554-T595 PolarHBondContact O-N 3.44Å; G554-T595 PolarHBondContact O-OG1 3.16Å; T595-M598 HydrophobicContact CG2-CE 4.22Å; T595-M598 WeakPolarHBondContact O-CB 3.49Å; T595-M598 PolarHBondContact O-N 2.82Å; T595-T599 WeakPolarHBondContact O-CB 3.37Å; T595-T599 PolarHBondContact O-N 2.99Å; T595-T599 PolarHBondContact O-OG1 2.87Å
596	F	93.1	Very high	91.8	Very high	10 Å²	10	40.9 Å²	40.9	4%	0.044	21%	0.206	C	C	.	.	H	α-helix	trans	-65.7	-48.3	175.3	-65.9	-31.3	0	0	0	111.9	P519 C521 H551 H552 S594 M598 T599 I600 I621 E625 A629	P519-F596 HydrophobicContact CB-CZ 3.86Å; P519-F596 HydrophobicContact CG-CZ 4.39Å; C521-F596 HydrophobicContact CB-CD1 4.42Å; C521-F596 HydrophobicContact CB-CE1 4.03Å; H551-F596 HydrophobicContact CB-CE1 3.75Å; H551-F596 HydrophobicContact CB-CZ 4.32Å; H552-F596 HydrophobicContact CB-CE2 3.77Å; H552-F596 HydrophobicContact CB-CZ 3.79Å; S594-F596 VanDerWaalsContact C-N 3.27Å; S594-F596 PolarHBondContact O-N 3.26Å; F596-M598 VanDerWaalsContact C-N 3.3Å; F596-M598 PolarHBondContact O-N 3.4Å; F596-T599 PolarHBondContact O-N 2.74Å; F596-T599 VanDerWaalsContact O-N 3.16Å; F596-I600 VanDerWaalsContact O-CG1 3.31Å; F596-I600 WeakPolarHBondContact O-CG1 3.32Å; F596-I600 PolarHBondContact O-N 3Å; F596-I621 HydrophobicContact CB-CD1 3.93Å; F596-I621 HydrophobicContact CD1-CD1 3.8Å; F596-I621 HydrophobicContact CD1-CG1 3.86Å; F596-I621 HydrophobicContact CD1-CG2 4.16Å; F596-I621 HydrophobicContact CD2-CG2 4.5Å; F596-I621 HydrophobicContact CE1-CG1 4.3Å; F596-I621 HydrophobicContact CE1-CG2 4.35Å; F596-I621 HydrophobicContact CG-CD1 4.12Å; F596-I621 HydrophobicContact CG-CG2 4.25Å; F596-E625 HydrophobicContact CD2-CB 4.1Å; F596-E625 HydrophobicContact CE2-CB 3.78Å; F596-E625 HydrophobicContact CE2-CG 4.07Å; F596-A629 HydrophobicContact CB-CB 4.21Å
597	Q	94	Very high	92.4	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.7	-40.5	175.1	-72.8	164.8	-30.1	0	0	111.8	V593 S594 I600 L601 A629 S632 L633	V593-Q597 HydrophobicContact CB-CB 3.78Å; V593-Q597 HydrophobicContact CG1-CB 4.31Å; V593-Q597 HydrophobicContact CG2-CB 4.48Å; S594-Q597 PolarHBondContact O-N 3.31Å; S594-Q597 VanDerWaalsContact OG-CD 3.25Å; S594-Q597 VanDerWaalsContact OG-CG 3.28Å; S594-Q597 WeakPolarHBondContact OG-CG 3.48Å; S594-Q597 PolarHBondContact OG-N 3.28Å; S594-Q597 PolarHBondContact OG-OE1 3.49Å; Q597-I600 PolarHBondContact O-N 3.45Å; Q597-L601 WeakPolarHBondContact O-CB 3.28Å; Q597-L601 VanDerWaalsContact O-CG 3.28Å; Q597-L601 WeakPolarHBondContact O-CG 2.99Å; Q597-L601 PolarHBondContact O-N 3.06Å; Q597-A629 HydrophobicContact CG-CB 4.14Å; Q597-S632 PolarHBondContact NE2-OG 3.19Å; Q597-L633 HydrophobicContact CB-CD1 4.19Å; Q597-L633 HydrophobicContact CB-CD2 4.32Å; Q597-L633 HydrophobicContact CB-CG 4.49Å; Q597-L633 HydrophobicContact CG-CD1 4.08Å; Q597-L633 HydrophobicContact CG-CD2 4.2Å; Q597-L633 HydrophobicContact CG-CG 4.06Å
598	M	94.9	Very high	92.4	Very high	13 Å²	13	44 Å²	44	6%	0.064	22%	0.215	C	C	.	.	H	α-helix	trans	-58.5	-47.9	174.3	-179	-158.4	68.5	0	0	111.4	I523 P524 P527 A556 L558 V593 S594 T595 F596 I600 L601 M602	I523-M598 HydrophobicContact CG2-CE 4.47Å; P524-M598 HydrophobicContact CG-CE 4.35Å; P527-M598 HydrophobicContact CG-CE 4.23Å; P527-M598 HydrophobicContact CG-SD 4.2Å; A556-M598 HydrophobicContact CB-CB 4.11Å; A556-M598 HydrophobicContact CB-CG 3.9Å; A556-M598 HydrophobicContact CB-SD 3.49Å; A556-M598 WeakPolarHBondContact CB-SD 3.26Å; L558-M598 HydrophobicContact CD1-CB 4.29Å; L558-M598 HydrophobicContact CD1-CG 3.99Å; L558-M598 HydrophobicContact CD2-CG 3.93Å; L558-M598 HydrophobicContact CG-CG 4.22Å; V593-M598 HydrophobicContact CG2-CB 3.9Å; S594-M598 PolarHBondContact O-N 3.45Å; T595-M598 HydrophobicContact CG2-CE 4.22Å; T595-M598 WeakPolarHBondContact O-CB 3.49Å; T595-M598 PolarHBondContact O-N 2.82Å; F596-M598 VanDerWaalsContact C-N 3.3Å; F596-M598 PolarHBondContact O-N 3.4Å; M598-I600 VanDerWaalsContact C-N 3.31Å; M598-I600 PolarHBondContact O-N 3.33Å; M598-L601 PolarHBondContact O-N 2.88Å; M598-M602 HydrophobicContact CG-CG 4.41Å; M598-M602 WeakPolarHBondContact O-CB 3.49Å; M598-M602 WeakPolarHBondContact O-CG 3.42Å; M598-M602 PolarHBondContact O-N 3.48Å
599	T	94.8	Very high	92.4	Very high	4 Å²	4	43.4 Å²	43.4	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-61.7	-41.2	-178.3	-55.5	0	0	0	0	111.1	N522 P524 T595 F596 T619	N522-T599 VanDerWaalsContact O-CG2 3.26Å; N522-T599 WeakPolarHBondContact O-CG2 3.37Å; P524-T599 HydrophobicContact CG-CG2 4.49Å; T595-T599 WeakPolarHBondContact O-CB 3.37Å; T595-T599 PolarHBondContact O-N 2.99Å; T595-T599 PolarHBondContact O-OG1 2.87Å; F596-T599 PolarHBondContact O-N 2.74Å; F596-T599 VanDerWaalsContact O-N 3.16Å; T599-T619 HydrophobicContact CG2-CG2 3.78Å
600	I	95.1	Very high	92.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-51.7	175.2	-64.3	161.5	0	0	0	111.1	F596 Q597 M598 M602 L603 F604 I615 T619 I621 L626 A629 L630 L633 L643	F596-I600 VanDerWaalsContact O-CG1 3.31Å; F596-I600 WeakPolarHBondContact O-CG1 3.32Å; F596-I600 PolarHBondContact O-N 3Å; Q597-I600 PolarHBondContact O-N 3.45Å; M598-I600 VanDerWaalsContact C-N 3.31Å; M598-I600 PolarHBondContact O-N 3.33Å; I600-M602 VanDerWaalsContact C-N 3.26Å; I600-M602 PolarHBondContact O-N 3.29Å; I600-L603 WeakPolarHBondContact O-CB 3.32Å; I600-L603 PolarHBondContact O-N 2.74Å; I600-L603 VanDerWaalsContact O-N 3.16Å; I600-F604 HydrophobicContact CG2-CE2 4.21Å; I600-F604 WeakPolarHBondContact O-CD2 3.45Å; I600-I615 HydrophobicContact CG1-CG2 4.03Å; I600-I615 HydrophobicContact CG2-CG2 4.27Å; I600-T619 HydrophobicContact CG1-CG2 4.46Å; I600-I621 HydrophobicContact CD1-CD1 4.49Å; I600-I621 HydrophobicContact CG1-CD1 4.27Å; I600-L626 HydrophobicContact CD1-CD1 3.68Å; I600-L626 HydrophobicContact CG1-CD1 4.08Å; I600-A629 HydrophobicContact CD1-CB 3.61Å; I600-L630 HydrophobicContact CD1-CD2 4.24Å; I600-L630 HydrophobicContact CD1-CG 4.21Å; I600-L630 HydrophobicContact CG2-CD2 3.79Å; I600-L633 HydrophobicContact CB-CD1 4.32Å; I600-L633 HydrophobicContact CD1-CD1 4.36Å; I600-L633 HydrophobicContact CG2-CD1 4.05Å; I600-L643 HydrophobicContact CG2-CD1 4.3Å
601	L	95.1	Very high	92.5	Very high	21 Å²	21	45 Å²	45	11%	0.11	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-34.1	-175.8	-73.3	172.7	0	0	0	112.5	L558 L591 V593 Q597 M598 L603 F604 L633 V642 L643	L558-L601 HydrophobicContact CD1-CB 4.18Å; L558-L601 HydrophobicContact CD1-CD1 4.02Å; L591-L601 HydrophobicContact CD1-CD1 4.24Å; V593-L601 HydrophobicContact CG1-CD1 4.13Å; Q597-L601 WeakPolarHBondContact O-CB 3.28Å; Q597-L601 VanDerWaalsContact O-CG 3.28Å; Q597-L601 WeakPolarHBondContact O-CG 2.99Å; Q597-L601 PolarHBondContact O-N 3.06Å; M598-L601 PolarHBondContact O-N 2.88Å; L601-L603 PolarHBondContact O-N 2.9Å; L601-F604 PolarHBondContact O-N 3Å; L601-L633 HydrophobicContact CD1-CD2 4.02Å; L601-L633 HydrophobicContact CD2-CD1 4.44Å; L601-L633 HydrophobicContact CD2-CD2 4.2Å; L601-L633 HydrophobicContact CG-CD1 4.32Å; L601-L633 HydrophobicContact CG-CD2 4.21Å; L601-V642 HydrophobicContact CD2-CG1 4.3Å; L601-L643 HydrophobicContact CD2-CD2 4.14Å; L601-L643 HydrophobicContact CD2-CG 4.27Å
602	M	93.4	Very high	92.5	Very high	59 Å²	59	44.9 Å²	44.9	29%	0.291	22%	0.219	S	C	.	.	H	α-helix	trans	-66.6	-21.5	179.7	-72.5	-65.9	-65.9	0	0	113.7	P524 L558 M598 I600 F604 N605	P524-M602 HydrophobicContact CB-CB 4.36Å; P524-M602 HydrophobicContact CB-CG 4.48Å; P524-M602 HydrophobicContact CG-CB 3.86Å; P524-M602 HydrophobicContact CG-CG 4Å; L558-M602 HydrophobicContact CD2-SD 4.37Å; M598-M602 HydrophobicContact CG-CG 4.41Å; M598-M602 WeakPolarHBondContact O-CB 3.49Å; M598-M602 WeakPolarHBondContact O-CG 3.42Å; M598-M602 PolarHBondContact O-N 3.48Å; I600-M602 VanDerWaalsContact C-N 3.26Å; I600-M602 PolarHBondContact O-N 3.29Å; M602-F604 VanDerWaalsContact C-N 3.28Å; M602-F604 PolarHBondContact O-N 3.32Å; M602-N605 PolarHBondContact O-N 2.94Å; M602-N605 PolarHBondContact O-ND2 3.36Å; M602-N605 PolarHBondContact SD-ND2 2.71Å; M602-N605 VanDerWaalsContact SD-ND2 3.44Å
603	L	93.3	Very high	92.6	Very high	32 Å²	32	45.3 Å²	45.3	17%	0.168	22%	0.221	C	C	.	.	H	α-helix	trans	-64.1	-35	174.8	-62.3	178.3	0	0	0	111.9	I600 L601 N605 N606 R607 I615 E618 T619	I600-L603 WeakPolarHBondContact O-CB 3.32Å; I600-L603 PolarHBondContact O-N 2.74Å; I600-L603 VanDerWaalsContact O-N 3.16Å; L601-L603 PolarHBondContact O-N 2.9Å; L603-N605 PolarHBondContact O-N 3.47Å; L603-N606 PolarHBondContact O-N 3.18Å; L603-R607 PolarHBondContact O-N 3.44Å; L603-I615 HydrophobicContact CD1-CB 4.45Å; L603-I615 HydrophobicContact CD1-CG1 4.29Å; L603-I615 HydrophobicContact CD1-CG2 4.14Å; L603-E618 HydrophobicContact CD2-CB 4.45Å; L603-T619 HydrophobicContact CD1-CG2 3.78Å; L603-T619 HydrophobicContact CG-CG2 4.48Å
604	F	93.9	Very high	92.6	Very high	20 Å²	20	48.9 Å²	48.9	9%	0.088	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-4.1	-176.2	-67.2	-83.6	0	0	0	114.2	I600 L601 M602 N606 R607 I615 L643 F658 V660	I600-F604 HydrophobicContact CG2-CE2 4.21Å; I600-F604 WeakPolarHBondContact O-CD2 3.45Å; L601-F604 PolarHBondContact O-N 3Å; M602-F604 VanDerWaalsContact C-N 3.28Å; M602-F604 PolarHBondContact O-N 3.32Å; F604-N606 PolarHBondContact O-N 3.4Å; F604-R607 CarbonylContact C-O 3.6Å; F604-R607 VanDerWaalsContact CA-O 3.31Å; F604-R607 WeakPolarHBondContact CA-O 3.23Å; F604-R607 VanDerWaalsContact O-O 3.14Å; F604-I615 HydrophobicContact CZ-CD1 4.37Å; F604-L643 HydrophobicContact CD2-CD2 4.08Å; F604-L643 HydrophobicContact CE2-CD1 4Å; F604-L643 HydrophobicContact CE2-CD2 3.9Å; F604-L643 HydrophobicContact CG-CD2 4.48Å; F604-L643 HydrophobicContact CZ-CD1 4.37Å; F604-L643 HydrophobicContact CZ-CD2 4.14Å; F604-F658 WeakPolarHBondContact CE1-O 3.4Å; F604-F658 HydrophobicContact CZ-CB 3.95Å; F604-V660 HydrophobicContact CB-CG2 3.63Å; F604-V660 HydrophobicContact CD1-CG2 3.95Å; F604-V660 HydrophobicContact CG-CG2 3.91Å
605	N	90.9	Very high	92.7	Very high	113 Å²	113	48 Å²	48	60%	0.604	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.5	169.1	-69.2	-42.5	0	0	0	112.2	M602 L603	M602-N605 PolarHBondContact O-N 2.94Å; M602-N605 PolarHBondContact O-ND2 3.36Å; M602-N605 PolarHBondContact SD-ND2 2.71Å; M602-N605 VanDerWaalsContact SD-ND2 3.44Å; L603-N605 PolarHBondContact O-N 3.47Å
606	N	88.1	Confident	92.8	Very high	150 Å²	150	49.7 Å²	49.7	80%	0.802	24%	0.238	S	C	*	.	S	Bend	trans	-115.1	-4.3	-177.5	-60.6	-28.2	0	0	0	112.8	L603 F604	L603-N606 PolarHBondContact O-N 3.18Å; F604-N606 PolarHBondContact O-N 3.4Å
607	R	87.7	Confident	92.8	Very high	94 Å²	94	56.8 Å²	56.8	36%	0.355	27%	0.271	S	S	.	.			trans	-141.8	136.5	-175.5	-62.5	-173.1	-176.5	178.7	7.8	111.4	L603 F604 E618	L603-R607 PolarHBondContact O-N 3.44Å; F604-R607 CarbonylContact C-O 3.6Å; F604-R607 VanDerWaalsContact CA-O 3.31Å; F604-R607 WeakPolarHBondContact CA-O 3.23Å; F604-R607 VanDerWaalsContact O-O 3.14Å; R607-E618 IonicContact CZ-OE1 3.04Å; R607-E618 IonicContact CZ-OE2 2.63Å; R607-E618 IonicContact NH1-OE1 3.69Å; R607-E618 PolarHBondContact NH1-OE1 3.25Å; R607-E618 IonicContact NH1-OE2 4Å; R607-E618 IonicContact NH2-OE1 3.99Å; R607-E618 PolarHBondContact NH2-OE1 2.85Å; R607-E618 IonicContact NH2-OE2 2.89Å; R607-E618 PolarHBondContact NH2-OE2 3.36Å; R607-E618 VanDerWaalsContact NH2-OE2 3.14Å
608	E	84.8	Confident	92.8	Very high	114 Å²	114	60.1 Å²	60.1	53%	0.533	29%	0.287	S	S	.	.	S	Bend	trans	-77.4	-34.7	176.5	-63	-178.8	168.8	0	0	112.4	V576	V576-E608 HydrophobicContact CG1-CB 4.46Å; V576-E608 HydrophobicContact CG1-CG 4.09Å; V576-E608 WeakPolarHBondContact CG1-OE1 3.33Å; V576-E608 WeakPolarHBondContact CG1-OE2 3.48Å
609	K	90.9	Very high	92.7	Very high	131 Å²	131	59.5 Å²	59.5	57%	0.57	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.2	151.5	-178.2	65.5	-168.5	-176.6	174.9	0	111.5	M657 F658 T659	K609-M657 HydrophobicContact CB-CG 4.28Å; K609-M657 HydrophobicContact CB-SD 4.24Å; K609-M657 HydrophobicContact CD-SD 3.77Å; K609-M657 HydrophobicContact CG-SD 4.31Å; K609-F658 WeakPolarHBondContact CA-O 3.37Å; K609-T659 HydrophobicContact CB-CG2 3.64Å
610	S	93.1	Very high	92.7	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.014	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	141.4	174.9	-61.3	0	0	0	0	111.1	E614 F658	S610-E614 WeakPolarHBondContact CA-OE2 3.14Å; S610-F658 PolarHBondContact N-O 2.96Å; S610-F658 PolarHBondContact O-N 3.21Å
611	M	95.1	Very high	92.5	Very high	78 Å²	78	62.5 Å²	62.5	38%	0.384	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	155.9	175.4	-160.5	-176.4	-73.9	0	0	110.8	E613 E614 I615 H656	M611-E613 VanDerWaalsContact C-N 3.29Å; M611-E613 VanDerWaalsContact CG-OE2 3.25Å; M611-E613 WeakPolarHBondContact CG-OE2 3.12Å; M611-E613 PolarHBondContact O-N 3.18Å; M611-E614 HydrophobicContact CB-CG 4.04Å; M611-E614 PolarHBondContact N-OE2 2.81Å; M611-E614 PolarHBondContact O-N 3.46Å; M611-I615 WeakPolarHBondContact O-CG1 3.47Å; M611-I615 PolarHBondContact O-N 3.24Å; M611-H656 CarbonylContact C-O 3.55Å; M611-H656 WeakPolarHBondContact CA-O 3.47Å
612	F	94.3	Very high	92.3	Very high	1 Å²	1	64.1 Å²	64.1	0%	0.004	31%	0.312	C	S	.	.	H	α-helix	trans	-50.1	-47.6	177.9	177.7	-97.7	0	0	0	112.9	E614 I615 Q616 E623 L626 V627 L630 I652 N654 H656 F658	F612-E614 PolarHBondContact O-N 2.63Å; F612-I615 PolarHBondContact O-N 2.87Å; F612-Q616 WeakPolarHBondContact O-CB 3.49Å; F612-Q616 PolarHBondContact O-N 3.39Å; F612-E623 HydrophobicContact CE1-CG 4.33Å; F612-E623 HydrophobicContact CZ-CG 3.96Å; F612-L626 HydrophobicContact CD2-CD2 4.31Å; F612-L626 HydrophobicContact CE2-CD2 3.73Å; F612-L626 HydrophobicContact CE2-CG 3.85Å; F612-L626 HydrophobicContact CZ-CD2 3.88Å; F612-L626 HydrophobicContact CZ-CG 4.33Å; F612-V627 HydrophobicContact CE2-CG2 3.95Å; F612-V627 HydrophobicContact CZ-CG2 4.01Å; F612-L630 HydrophobicContact CD2-CD1 3.66Å; F612-L630 HydrophobicContact CE2-CD1 3.94Å; F612-I652 HydrophobicContact CD2-CG2 3.58Å; F612-I652 HydrophobicContact CE2-CG2 3.69Å; F612-N654 WeakPolarHBondContact CD1-OD1 3.25Å; F612-N654 VanDerWaalsContact CE1-OD1 3.23Å; F612-N654 WeakPolarHBondContact CE1-OD1 3.29Å; F612-H656 PolarHBondContact N-O 2.93Å; F612-F658 HydrophobicContact CB-CE2 4.17Å; F612-F658 HydrophobicContact CD2-CE2 4.47Å
613	E	94.7	Very high	92.2	Very high	65 Å²	65	66.5 Å²	66.5	30%	0.304	32%	0.322	S	S	.	.	H	α-helix	trans	-66.4	-37.4	-177.8	-64.1	90.5	146.2	0	0	112.1	M611 Q616 Q617 N654 G655	M611-E613 VanDerWaalsContact C-N 3.29Å; M611-E613 VanDerWaalsContact CG-OE2 3.25Å; M611-E613 WeakPolarHBondContact CG-OE2 3.12Å; M611-E613 PolarHBondContact O-N 3.18Å; E613-Q616 PolarHBondContact O-N 3.34Å; E613-Q617 WeakPolarHBondContact O-CB 3.31Å; E613-Q617 PolarHBondContact O-N 3.39Å; E613-N654 WeakPolarHBondContact OE1-CA 3.36Å; E613-N654 VanDerWaalsContact OE1-CB 3.25Å; E613-N654 WeakPolarHBondContact OE1-CB 3.45Å; E613-G655 VanDerWaalsContact CD-N 3.32Å; E613-G655 PolarHBondContact OE1-N 3.28Å; E613-G655 PolarHBondContact OE2-N 2.95Å
614	E	93.6	Very high	91.8	Very high	81 Å²	81	71.5 Å²	71.5	38%	0.379	34%	0.339	S	S	.	.	H	α-helix	trans	-66.1	-44.2	176.1	-62.5	175.1	148.6	0	0	110.7	S610 M611 F612 Q616 Q617 E618	S610-E614 WeakPolarHBondContact CA-OE2 3.14Å; M611-E614 HydrophobicContact CB-CG 4.04Å; M611-E614 PolarHBondContact N-OE2 2.81Å; M611-E614 PolarHBondContact O-N 3.46Å; F612-E614 PolarHBondContact O-N 2.63Å; E614-Q616 VanDerWaalsContact C-N 3.32Å; E614-Q616 PolarHBondContact O-N 3.35Å; E614-Q617 PolarHBondContact O-N 3.09Å; E614-E618 WeakPolarHBondContact O-CB 3.45Å; E614-E618 PolarHBondContact O-N 3.16Å
615	I	94.5	Very high	91.5	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-62.2	-43.8	174.9	-61.4	169.5	0	0	0	109.4	I600 L603 F604 M611 F612 T619 L626 L630 F658	I600-I615 HydrophobicContact CG1-CG2 4.03Å; I600-I615 HydrophobicContact CG2-CG2 4.27Å; L603-I615 HydrophobicContact CD1-CB 4.45Å; L603-I615 HydrophobicContact CD1-CG1 4.29Å; L603-I615 HydrophobicContact CD1-CG2 4.14Å; F604-I615 HydrophobicContact CZ-CD1 4.37Å; M611-I615 WeakPolarHBondContact O-CG1 3.47Å; M611-I615 PolarHBondContact O-N 3.24Å; F612-I615 PolarHBondContact O-N 2.87Å; I615-T619 HydrophobicContact CG2-CG2 4.05Å; I615-T619 VanDerWaalsContact O-CB 3.29Å; I615-T619 WeakPolarHBondContact O-CB 3.38Å; I615-T619 VanDerWaalsContact O-CG2 3.25Å; I615-T619 WeakPolarHBondContact O-CG2 2.93Å; I615-T619 PolarHBondContact O-N 2.91Å; I615-T619 PolarHBondContact O-OG1 3.2Å; I615-L626 HydrophobicContact CG2-CD1 3.8Å; I615-L630 HydrophobicContact CD1-CD2 4.2Å; I615-F658 HydrophobicContact CD1-CB 4.31Å; I615-F658 HydrophobicContact CD1-CD2 3.87Å; I615-F658 HydrophobicContact CD1-CG 4.3Å
616	Q	94.3	Very high	91.5	Very high	56 Å²	56	67.2 Å²	67.2	26%	0.262	32%	0.315	S	S	.	.	H	α-helix	trans	-61.8	-48.3	179.1	-169.8	178.1	27.2	0	0	111.9	F612 E613 E614 E618 D620 L626	F612-Q616 WeakPolarHBondContact O-CB 3.49Å; F612-Q616 PolarHBondContact O-N 3.39Å; E613-Q616 PolarHBondContact O-N 3.34Å; E614-Q616 VanDerWaalsContact C-N 3.32Å; E614-Q616 PolarHBondContact O-N 3.35Å; Q616-E618 PolarHBondContact O-N 3.39Å; Q616-D620 VanDerWaalsContact O-CA 3.31Å; Q616-D620 WeakPolarHBondContact O-CA 3.31Å; Q616-D620 PolarHBondContact O-N 3.23Å; Q616-L626 HydrophobicContact CB-CD2 3.48Å; Q616-L626 VanDerWaalsContact CB-CD2 3.48Å; Q616-L626 HydrophobicContact CG-CD2 3.82Å
617	Q	93.3	Very high	91.6	Very high	159 Å²	159	61.3 Å²	61.3	74%	0.743	29%	0.285	S	S	*	.	H	α-helix	trans	-63.6	-41.7	-178.3	-173.7	178.4	6.7	0	0	112.1	E613 E614	E613-Q617 WeakPolarHBondContact O-CB 3.31Å; E613-Q617 PolarHBondContact O-N 3.39Å; E614-Q617 PolarHBondContact O-N 3.09Å
618	E	92.6	Very high	91.6	Very high	69 Å²	69	60 Å²	60	32%	0.322	28%	0.28	S	S	.	.	H	α-helix	trans	-77.8	-40.2	-177.5	-77.6	176.4	-140.3	0	0	113.2	N522 L603 R607 E614 Q616	N522-E618 VanDerWaalsContact CB-O 3.31Å; N522-E618 WeakPolarHBondContact CB-O 3.46Å; N522-E618 PolarHBondContact ND2-O 3.33Å; L603-E618 HydrophobicContact CD2-CB 4.45Å; R607-E618 IonicContact CZ-OE1 3.04Å; R607-E618 IonicContact CZ-OE2 2.63Å; R607-E618 IonicContact NH1-OE1 3.69Å; R607-E618 PolarHBondContact NH1-OE1 3.25Å; R607-E618 IonicContact NH1-OE2 4Å; R607-E618 IonicContact NH2-OE1 3.99Å; R607-E618 PolarHBondContact NH2-OE1 2.85Å; R607-E618 IonicContact NH2-OE2 2.89Å; R607-E618 PolarHBondContact NH2-OE2 3.36Å; R607-E618 VanDerWaalsContact NH2-OE2 3.14Å; E614-E618 WeakPolarHBondContact O-CB 3.45Å; E614-E618 PolarHBondContact O-N 3.16Å; Q616-E618 PolarHBondContact O-N 3.39Å
619	T	93.4	Very high	91.9	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-80.7	-21	179.6	66.5	0	0	0	0	112.7	C521 N522 T599 I600 L603 I615 I621	C521-T619 CarbonylContact C-O 3.59Å; C521-T619 VanDerWaalsContact CA-O 3.31Å; C521-T619 WeakPolarHBondContact CA-O 3.46Å; N522-T619 PolarHBondContact N-O 2.84Å; T599-T619 HydrophobicContact CG2-CG2 3.78Å; I600-T619 HydrophobicContact CG1-CG2 4.46Å; L603-T619 HydrophobicContact CD1-CG2 3.78Å; L603-T619 HydrophobicContact CG-CG2 4.48Å; I615-T619 HydrophobicContact CG2-CG2 4.05Å; I615-T619 VanDerWaalsContact O-CB 3.29Å; I615-T619 WeakPolarHBondContact O-CB 3.38Å; I615-T619 VanDerWaalsContact O-CG2 3.25Å; I615-T619 WeakPolarHBondContact O-CG2 2.93Å; I615-T619 PolarHBondContact O-N 2.91Å; I615-T619 PolarHBondContact O-OG1 3.2Å; T619-I621 HydrophobicContact CG2-CD1 4.28Å; T619-I621 PolarHBondContact O-N 3.11Å; T619-I621 VanDerWaalsContact O-N 3.14Å; T619-I621 WeakPolarHBondContact OG1-CG1 3.26Å; T619-I621 PolarHBondContact OG1-N 3.38Å
620	D	93.8	Very high	92	Very high	65 Å²	65	48.5 Å²	48.5	35%	0.348	23%	0.228	S	C	.	.			trans	52.4	27.3	-173.2	-163	27.4	0	0	0	112.7	K520 Q616	K520-D620 CarbonylContact C-O 3.55Å; K520-D620 HydrophobicContact CB-CB 4.45Å; K520-D620 VanDerWaalsContact CB-O 3.28Å; K520-D620 WeakPolarHBondContact CB-O 3.36Å; K520-D620 WeakPolarHBondContact CB-OD2 3.16Å; K520-D620 WeakPolarHBondContact CD-OD2 3.41Å; Q616-D620 VanDerWaalsContact O-CA 3.31Å; Q616-D620 WeakPolarHBondContact O-CA 3.31Å; Q616-D620 PolarHBondContact O-N 3.23Å
621	I	92.6	Very high	91.8	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	24%	0.239	C	C	.	.			trans	-79.6	132.5	177.8	-63.8	168.8	0	0	0	108.5	C521 F596 I600 T619 E623 E625 L626	C521-I621 HydrophobicContact CB-CG1 4.48Å; F596-I621 HydrophobicContact CB-CD1 3.93Å; F596-I621 HydrophobicContact CD1-CD1 3.8Å; F596-I621 HydrophobicContact CD1-CG1 3.86Å; F596-I621 HydrophobicContact CD1-CG2 4.16Å; F596-I621 HydrophobicContact CD2-CG2 4.5Å; F596-I621 HydrophobicContact CE1-CG1 4.3Å; F596-I621 HydrophobicContact CE1-CG2 4.35Å; F596-I621 HydrophobicContact CG-CD1 4.12Å; F596-I621 HydrophobicContact CG-CG2 4.25Å; I600-I621 HydrophobicContact CD1-CD1 4.49Å; I600-I621 HydrophobicContact CG1-CD1 4.27Å; T619-I621 HydrophobicContact CG2-CD1 4.28Å; T619-I621 PolarHBondContact O-N 3.11Å; T619-I621 VanDerWaalsContact O-N 3.14Å; T619-I621 WeakPolarHBondContact OG1-CG1 3.26Å; T619-I621 PolarHBondContact OG1-N 3.38Å; I621-E623 PolarHBondContact O-N 3.29Å; I621-E625 HydrophobicContact CG2-CB 4.03Å; I621-L626 HydrophobicContact CB-CB 4.27Å; I621-L626 HydrophobicContact CG2-CB 3.88Å
622	P	90.7	Very high	91.5	Very high	55 Å²	55	47.2 Å²	47.2	36%	0.357	22%	0.221	S	C	.	.			trans	-56	138.6	175.2	-26.8	35.4	0	0	0	112.3	P519 K520 R624 E625 L626	P519-P622 HydrophobicContact CB-CG 4.01Å; K520-P622 WeakPolarHBondContact O-CD 3.46Å; P622-R624 VanDerWaalsContact C-N 3.3Å; P622-R624 PolarHBondContact O-N 2.74Å; P622-R624 VanDerWaalsContact O-N 3.13Å; P622-E625 PolarHBondContact O-N 3.34Å; P622-L626 PolarHBondContact O-N 3.41Å
623	E	89.5	Confident	91.4	Very high	109 Å²	109	47.1 Å²	47.1	51%	0.509	22%	0.221	S	C	.	.	H	α-helix	trans	-48.3	-48.4	-172.1	-165	-176.1	151.7	0	0	113.2	F612 I621 E625 L626 V627	F612-E623 HydrophobicContact CE1-CG 4.33Å; F612-E623 HydrophobicContact CZ-CG 3.96Å; I621-E623 PolarHBondContact O-N 3.29Å; E623-E625 VanDerWaalsContact C-N 3.32Å; E623-E625 PolarHBondContact O-N 2.79Å; E623-L626 PolarHBondContact O-N 2.79Å; E623-V627 WeakPolarHBondContact O-CG2 3.48Å; E623-V627 PolarHBondContact O-N 2.88Å
624	R	86.3	Confident	91.2	Very high	137 Å²	137	44.5 Å²	44.5	52%	0.517	21%	0.21	S	C	.	.	H	α-helix	trans	-56.2	-42.8	179	-175.7	-178.2	179.2	-159	-4.1	112.9	P622 R628 E686	P622-R624 VanDerWaalsContact C-N 3.3Å; P622-R624 PolarHBondContact O-N 2.74Å; P622-R624 VanDerWaalsContact O-N 3.13Å; R624-R628 WeakPolarHBondContact O-CG 3.3Å; R624-R628 PolarHBondContact O-N 3.1Å; R624-E686 IonicContact CZ-OE1 2.95Å; R624-E686 IonicContact NH2-OE1 2.85Å; R624-E686 PolarHBondContact NH2-OE1 2.79Å
625	E	86.9	Confident	90.9	Very high	42 Å²	42	42.4 Å²	42.4	20%	0.196	20%	0.204	C	C	.	.	H	α-helix	trans	-79.5	-34.2	-179	-65.7	-57	132.4	0	0	111.4	F596 I621 P622 E623 R628 A629	F596-E625 HydrophobicContact CD2-CB 4.1Å; F596-E625 HydrophobicContact CE2-CB 3.78Å; F596-E625 HydrophobicContact CE2-CG 4.07Å; I621-E625 HydrophobicContact CG2-CB 4.03Å; P622-E625 PolarHBondContact O-N 3.34Å; E623-E625 VanDerWaalsContact C-N 3.32Å; E623-E625 PolarHBondContact O-N 2.79Å; E625-R628 PolarHBondContact O-N 3.17Å; E625-R628 IonicContact OE1-CZ 3.65Å; E625-R628 IonicContact OE1-NH1 2.63Å; E625-R628 PolarHBondContact OE1-NH1 3.01Å; E625-A629 WeakPolarHBondContact O-CB 3.43Å; E625-A629 PolarHBondContact O-N 2.91Å
626	L	90.9	Very high	90.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-47.1	174.6	179.5	58.8	0	0	0	111.5	I600 F612 I615 Q616 I621 P622 E623 R628 A629 L630	I600-L626 HydrophobicContact CD1-CD1 3.68Å; I600-L626 HydrophobicContact CG1-CD1 4.08Å; F612-L626 HydrophobicContact CD2-CD2 4.31Å; F612-L626 HydrophobicContact CE2-CD2 3.73Å; F612-L626 HydrophobicContact CE2-CG 3.85Å; F612-L626 HydrophobicContact CZ-CD2 3.88Å; F612-L626 HydrophobicContact CZ-CG 4.33Å; I615-L626 HydrophobicContact CG2-CD1 3.8Å; Q616-L626 HydrophobicContact CB-CD2 3.48Å; Q616-L626 VanDerWaalsContact CB-CD2 3.48Å; Q616-L626 HydrophobicContact CG-CD2 3.82Å; I621-L626 HydrophobicContact CB-CB 4.27Å; I621-L626 HydrophobicContact CG2-CB 3.88Å; P622-L626 PolarHBondContact O-N 3.41Å; E623-L626 PolarHBondContact O-N 2.79Å; L626-R628 VanDerWaalsContact C-N 3.34Å; L626-R628 PolarHBondContact O-N 3.02Å; L626-A629 PolarHBondContact O-N 3.2Å; L626-L630 HydrophobicContact CD1-CD1 3.78Å; L626-L630 HydrophobicContact CD1-CG 4.02Å; L626-L630 HydrophobicContact CG-CD1 3.86Å; L626-L630 HydrophobicContact CG-CG 4.48Å; L626-L630 WeakPolarHBondContact O-CB 3.46Å; L626-L630 WeakPolarHBondContact O-CG 3.45Å; L626-L630 PolarHBondContact O-N 2.94Å
627	V	90.8	Very high	89.6	Confident	27 Å²	27	47.4 Å²	47.4	16%	0.164	23%	0.231	C	C	.	.	H	α-helix	trans	-55.7	-48.6	174.3	166.4	0	0	0	0	110.7	F612 E623 A629 L630 Q631 I652	F612-V627 HydrophobicContact CE2-CG2 3.95Å; F612-V627 HydrophobicContact CZ-CG2 4.01Å; E623-V627 WeakPolarHBondContact O-CG2 3.48Å; E623-V627 PolarHBondContact O-N 2.88Å; V627-A629 PolarHBondContact O-N 2.78Å; V627-L630 PolarHBondContact O-N 3.22Å; V627-Q631 HydrophobicContact CG1-CG 4.23Å; V627-Q631 VanDerWaalsContact O-CB 3.29Å; V627-Q631 WeakPolarHBondContact O-CB 3.24Å; V627-Q631 VanDerWaalsContact O-CG 3.24Å; V627-Q631 WeakPolarHBondContact O-CG 3.14Å; V627-Q631 PolarHBondContact O-N 3.03Å; V627-I652 HydrophobicContact CG1-CB 4.2Å; V627-I652 HydrophobicContact CG2-CB 4.41Å; V627-I652 HydrophobicContact CG2-CG2 4.21Å
628	R	88.3	Confident	89	Confident	67 Å²	67	44.4 Å²	44.4	25%	0.253	23%	0.225	S	C	.	.	H	α-helix	trans	-61.1	-43.1	178.7	-74.3	171.2	168	-180	-10.6	112.5	R624 E625 L626 S632 E686	R624-R628 WeakPolarHBondContact O-CG 3.3Å; R624-R628 PolarHBondContact O-N 3.1Å; E625-R628 PolarHBondContact O-N 3.17Å; E625-R628 IonicContact OE1-CZ 3.65Å; E625-R628 IonicContact OE1-NH1 2.63Å; E625-R628 PolarHBondContact OE1-NH1 3.01Å; L626-R628 VanDerWaalsContact C-N 3.34Å; L626-R628 PolarHBondContact O-N 3.02Å; R628-S632 PolarHBondContact O-N 3.02Å; R628-S632 PolarHBondContact O-OG 3.41Å; R628-E686 IonicContact NH2-OE1 2.74Å
629	A	90.3	Very high	88.5	Confident	2 Å²	2	44.7 Å²	44.7	2%	0.017	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-49.1	178.1	0	0	0	0	0	111.1	F596 Q597 I600 E625 L626 V627 Q631 S632 L633	F596-A629 HydrophobicContact CB-CB 4.21Å; Q597-A629 HydrophobicContact CG-CB 4.14Å; I600-A629 HydrophobicContact CD1-CB 3.61Å; E625-A629 WeakPolarHBondContact O-CB 3.43Å; E625-A629 PolarHBondContact O-N 2.91Å; L626-A629 PolarHBondContact O-N 3.2Å; V627-A629 PolarHBondContact O-N 2.78Å; A629-Q631 PolarHBondContact O-N 3.07Å; A629-S632 PolarHBondContact O-N 3.46Å; A629-S632 PolarHBondContact O-OG 3.19Å; A629-L633 WeakPolarHBondContact O-CG 3.34Å; A629-L633 PolarHBondContact O-N 3.34Å
630	L	92.4	Very high	88.1	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-36.6	178.3	-71.1	169.4	0	0	0	112.5	I600 F612 I615 L626 V627 S632 L633 A634 L643 I652 F658	I600-L630 HydrophobicContact CD1-CD2 4.24Å; I600-L630 HydrophobicContact CD1-CG 4.21Å; I600-L630 HydrophobicContact CG2-CD2 3.79Å; F612-L630 HydrophobicContact CD2-CD1 3.66Å; F612-L630 HydrophobicContact CE2-CD1 3.94Å; I615-L630 HydrophobicContact CD1-CD2 4.2Å; L626-L630 HydrophobicContact CD1-CD1 3.78Å; L626-L630 HydrophobicContact CD1-CG 4.02Å; L626-L630 HydrophobicContact CG-CD1 3.86Å; L626-L630 HydrophobicContact CG-CG 4.48Å; L626-L630 WeakPolarHBondContact O-CB 3.46Å; L626-L630 WeakPolarHBondContact O-CG 3.45Å; L626-L630 PolarHBondContact O-N 2.94Å; V627-L630 PolarHBondContact O-N 3.22Å; L630-S632 VanDerWaalsContact C-N 3.3Å; L630-S632 PolarHBondContact O-N 3.15Å; L630-L633 PolarHBondContact O-N 2.81Å; L630-L633 VanDerWaalsContact O-N 3.11Å; L630-A634 WeakPolarHBondContact O-CB 3.33Å; L630-A634 PolarHBondContact O-N 3.14Å; L630-L643 HydrophobicContact CD2-CD1 4.24Å; L630-I652 VanDerWaalsContact C-CD1 3.42Å; L630-I652 HydrophobicContact CB-CD1 3.31Å; L630-I652 HydrophobicContact CD1-CG2 4.4Å; L630-F658 HydrophobicContact CB-CE1 4.15Å; L630-F658 HydrophobicContact CB-CZ 4.22Å; L630-F658 HydrophobicContact CD1-CE1 4.42Å; L630-F658 HydrophobicContact CD1-CE2 3.95Å; L630-F658 HydrophobicContact CD1-CZ 3.85Å; L630-F658 HydrophobicContact CD2-CD1 4.15Å; L630-F658 HydrophobicContact CD2-CE1 4.12Å; L630-F658 HydrophobicContact CD2-CG 4.36Å; L630-F658 HydrophobicContact CD2-CZ 4.32Å; L630-F658 HydrophobicContact CG-CE1 4.48Å; L630-F658 HydrophobicContact CG-CZ 4.38Å
631	Q	90.1	Very high	87.9	Confident	51 Å²	51	47.7 Å²	47.7	24%	0.238	24%	0.239	C	C	.	.	I	π-helix	trans	-59.1	-43.6	175.4	-82.6	176.8	-16	0	0	111	V627 A629 L633 C635 G636 I652 V676	V627-Q631 HydrophobicContact CG1-CG 4.23Å; V627-Q631 VanDerWaalsContact O-CB 3.29Å; V627-Q631 WeakPolarHBondContact O-CB 3.24Å; V627-Q631 VanDerWaalsContact O-CG 3.24Å; V627-Q631 WeakPolarHBondContact O-CG 3.14Å; V627-Q631 PolarHBondContact O-N 3.03Å; A629-Q631 PolarHBondContact O-N 3.07Å; Q631-L633 VanDerWaalsContact C-N 3.32Å; Q631-L633 PolarHBondContact O-N 3.44Å; Q631-C635 CarbonylContact O-C 3.48Å; Q631-C635 WeakPolarHBondContact O-CA 3.4Å; Q631-C635 WeakPolarHBondContact O-CB 3.41Å; Q631-C635 PolarHBondContact O-N 2.89Å; Q631-G636 PolarHBondContact O-N 2.92Å; Q631-I652 HydrophobicContact CB-CD1 4.21Å; Q631-I652 HydrophobicContact CG-CD1 3.61Å; Q631-I652 HydrophobicContact CG-CG1 3.84Å; Q631-V676 HydrophobicContact CB-CG2 4.16Å
632	S	88.8	Confident	87.9	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.014	24%	0.239	C	C	.	.	I	π-helix	trans	-67.5	-30.8	176.8	61	0	0	0	0	113.7	Q597 R628 A629 L630 Q674	Q597-S632 PolarHBondContact NE2-OG 3.19Å; R628-S632 PolarHBondContact O-N 3.02Å; R628-S632 PolarHBondContact O-OG 3.41Å; A629-S632 PolarHBondContact O-N 3.46Å; A629-S632 PolarHBondContact O-OG 3.19Å; L630-S632 VanDerWaalsContact C-N 3.3Å; L630-S632 PolarHBondContact O-N 3.15Å; S632-Q674 WeakPolarHBondContact CB-O 3.25Å
633	L	92	Very high	88	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-82.5	-33.9	-179.4	-67.9	170.8	0	0	0	113.4	Q597 I600 L601 A629 L630 Q631 R641 V642 L643 I673	Q597-L633 HydrophobicContact CB-CD1 4.19Å; Q597-L633 HydrophobicContact CB-CD2 4.32Å; Q597-L633 HydrophobicContact CB-CG 4.49Å; Q597-L633 HydrophobicContact CG-CD1 4.08Å; Q597-L633 HydrophobicContact CG-CD2 4.2Å; Q597-L633 HydrophobicContact CG-CG 4.06Å; I600-L633 HydrophobicContact CB-CD1 4.32Å; I600-L633 HydrophobicContact CD1-CD1 4.36Å; I600-L633 HydrophobicContact CG2-CD1 4.05Å; L601-L633 HydrophobicContact CD1-CD2 4.02Å; L601-L633 HydrophobicContact CD2-CD1 4.44Å; L601-L633 HydrophobicContact CD2-CD2 4.2Å; L601-L633 HydrophobicContact CG-CD1 4.32Å; L601-L633 HydrophobicContact CG-CD2 4.21Å; A629-L633 WeakPolarHBondContact O-CG 3.34Å; A629-L633 PolarHBondContact O-N 3.34Å; L630-L633 PolarHBondContact O-N 2.81Å; L630-L633 VanDerWaalsContact O-N 3.11Å; Q631-L633 VanDerWaalsContact C-N 3.32Å; Q631-L633 PolarHBondContact O-N 3.44Å; L633-R641 CarbonylContact O-C 3.54Å; L633-R641 VanDerWaalsContact O-CA 3.3Å; L633-R641 WeakPolarHBondContact O-CA 3.33Å; L633-V642 PolarHBondContact O-N 3.07Å; L633-L643 HydrophobicContact CB-CB 4.48Å; L633-L643 HydrophobicContact CB-CD1 3.92Å; L633-L643 HydrophobicContact CB-CG 4.16Å; L633-L643 HydrophobicContact CD1-CD1 4.07Å; L633-L643 PolarHBondContact O-N 3.41Å; L633-I673 HydrophobicContact CD2-CD1 3.97Å; L633-I673 HydrophobicContact CD2-CG2 4.19Å
634	A	90.8	Very high	88.1	Confident	10 Å²	10	42.3 Å²	42.3	8%	0.083	21%	0.212	C	C	.	.	I	π-helix	trans	-114.1	-34.2	-171.7	0	0	0	0	0	114.3	L630 R641 L643 K645 F658	L630-A634 WeakPolarHBondContact O-CB 3.33Å; L630-A634 PolarHBondContact O-N 3.14Å; A634-R641 WeakPolarHBondContact O-CD 3.24Å; A634-R641 WeakPolarHBondContact O-CG 3.28Å; A634-L643 WeakPolarHBondContact CA-O 3.4Å; A634-L643 HydrophobicContact CB-CB 4.12Å; A634-K645 HydrophobicContact CB-CB 4.25Å; A634-F658 HydrophobicContact CB-CD1 4.1Å; A634-F658 HydrophobicContact CB-CE1 4.01Å
635	C	85.7	Confident	88.4	Confident	36 Å²	36	36.2 Å²	36.2	24%	0.243	19%	0.19	C	C	.	.	I	π-helix	trans	-108.4	-2.1	-172.5	-56.5	0	0	0	0	113.3	Q631	Q631-C635 CarbonylContact O-C 3.48Å; Q631-C635 WeakPolarHBondContact O-CA 3.4Å; Q631-C635 WeakPolarHBondContact O-CB 3.41Å; Q631-C635 PolarHBondContact O-N 2.89Å
636	G	79.7	Confident	88.5	Confident	20 Å²	20	39.3 Å²	39.3	21%	0.206	20%	0.204	C	C	.	.	S	Bend	trans	-67.4	-158.8	-176.3	0	0	0	0	0	115.3	Q631 R641	Q631-G636 PolarHBondContact O-N 2.92Å; G636-R641 VanDerWaalsContact O-CZ 3.29Å; G636-R641 PolarHBondContact O-NE 3Å; G636-R641 PolarHBondContact O-NH2 3.5Å
637	K	82.5	Confident	88.4	Confident	142 Å²	142	43.1 Å²	43.1	62%	0.617	23%	0.229	S	C	*	.			trans	-65.5	146.4	173.3	-66	-177.4	-178.5	-178.9	0	109.7	T639 Q640 R641	K637-T639 PolarHBondContact O-N 2.78Å; K637-Q640 CarbonylContact O-C 3.52Å; K637-Q640 WeakPolarHBondContact O-CA 3.46Å; K637-Q640 PolarHBondContact O-N 3.23Å; K637-R641 WeakPolarHBondContact O-CG 3.22Å; K637-R641 PolarHBondContact O-N 3.2Å
638	P	80.9	Confident	88.1	Confident	95 Å²	95	51.5 Å²	51.5	62%	0.617	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-50.6	-34.2	177.8	-29.3	35.7	0	0	0	114	Q640	P638-Q640 PolarHBondContact O-N 3.42Å
639	T	82.1	Confident	88	Confident	75 Å²	75	50.5 Å²	50.5	46%	0.46	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-74	1.7	175.9	54.3	0	0	0	0	115.2	K637 F664	K637-T639 PolarHBondContact O-N 2.78Å; T639-F664 WeakPolarHBondContact O-CE2 3.42Å
640	Q	85.7	Confident	87.6	Confident	29 Å²	29	59.3 Å²	59.3	14%	0.136	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-131.4	-2.9	179.8	-66.8	177.3	-25.8	0	0	113	K637 P638 V642 K672	K637-Q640 CarbonylContact O-C 3.52Å; K637-Q640 WeakPolarHBondContact O-CA 3.46Å; K637-Q640 PolarHBondContact O-N 3.23Å; P638-Q640 PolarHBondContact O-N 3.42Å; Q640-V642 WeakPolarHBondContact O-CG2 3.23Å; Q640-V642 PolarHBondContact O-N 3.5Å; Q640-V642 VanDerWaalsContact O-N 3.1Å; Q640-K672 PolarHBondContact NE2-O 3.35Å
641	R	88.9	Confident	87.2	Confident	101 Å²	101	65.4 Å²	65.4	38%	0.381	33%	0.333	S	S	.	.			trans	-80	89.9	-178.2	-72.7	-179.8	-166.4	176.7	0.2	111.3	L633 A634 G636 K637 N661 F664	L633-R641 CarbonylContact O-C 3.54Å; L633-R641 VanDerWaalsContact O-CA 3.3Å; L633-R641 WeakPolarHBondContact O-CA 3.33Å; A634-R641 WeakPolarHBondContact O-CD 3.24Å; A634-R641 WeakPolarHBondContact O-CG 3.28Å; G636-R641 VanDerWaalsContact O-CZ 3.29Å; G636-R641 PolarHBondContact O-NE 3Å; G636-R641 PolarHBondContact O-NH2 3.5Å; K637-R641 WeakPolarHBondContact O-CG 3.22Å; K637-R641 PolarHBondContact O-N 3.2Å; R641-N661 PolarHBondContact O-ND2 3.11Å; R641-F664 WeakPolarHBondContact O-CD2 3.31Å
642	V	91.7	Very high	87.1	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.018	33%	0.325	C	S	.	.			trans	-85.4	-22.8	179.7	-158.6	0	0	0	0	112.1	F562 L591 L601 L633 Q640 N661 I673	F562-V642 HydrophobicContact CE1-CG1 3.59Å; F562-V642 HydrophobicContact CZ-CG1 3.45Å; F562-V642 VanDerWaalsContact CZ-CG1 3.45Å; L591-V642 HydrophobicContact CD1-CG1 3.89Å; L591-V642 HydrophobicContact CD1-CG2 4.23Å; L601-V642 HydrophobicContact CD2-CG1 4.3Å; L633-V642 PolarHBondContact O-N 3.07Å; Q640-V642 WeakPolarHBondContact O-CG2 3.23Å; Q640-V642 PolarHBondContact O-N 3.5Å; Q640-V642 VanDerWaalsContact O-N 3.1Å; V642-N661 VanDerWaalsContact O-CB 3.31Å; V642-N661 WeakPolarHBondContact O-CB 3.48Å; V642-N661 PolarHBondContact O-N 2.66Å; V642-I673 HydrophobicContact CG2-CD1 3.28Å; V642-I673 HydrophobicContact CG2-CG1 4.4Å
643	L	93.4	Very high	87.2	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.005	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	155.4	174.2	-60.6	179.1	0	0	0	110.1	I600 L601 F604 L630 L633 A634 T659 V660	I600-L643 HydrophobicContact CG2-CD1 4.3Å; L601-L643 HydrophobicContact CD2-CD2 4.14Å; L601-L643 HydrophobicContact CD2-CG 4.27Å; F604-L643 HydrophobicContact CD2-CD2 4.08Å; F604-L643 HydrophobicContact CE2-CD1 4Å; F604-L643 HydrophobicContact CE2-CD2 3.9Å; F604-L643 HydrophobicContact CG-CD2 4.48Å; F604-L643 HydrophobicContact CZ-CD1 4.37Å; F604-L643 HydrophobicContact CZ-CD2 4.14Å; L630-L643 HydrophobicContact CD2-CD1 4.24Å; L633-L643 HydrophobicContact CB-CB 4.48Å; L633-L643 HydrophobicContact CB-CD1 3.92Å; L633-L643 HydrophobicContact CB-CG 4.16Å; L633-L643 HydrophobicContact CD1-CD1 4.07Å; L633-L643 PolarHBondContact O-N 3.41Å; A634-L643 WeakPolarHBondContact CA-O 3.4Å; A634-L643 HydrophobicContact CB-CB 4.12Å; L643-T659 CarbonylContact C-O 3.49Å; L643-T659 VanDerWaalsContact CA-O 3.22Å; L643-T659 WeakPolarHBondContact CA-O 3.43Å; L643-V660 HydrophobicContact CD2-CG2 4.41Å
644	T	91.3	Very high	86.9	Confident	48 Å²	48	73.1 Å²	73.1	29%	0.294	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	156.7	163.7	79.4	0	0	0	0	110	F658 T659 N661	T644-F658 VanDerWaalsContact O-CA 3.31Å; T644-F658 WeakPolarHBondContact O-CA 3.42Å; T644-T659 PolarHBondContact N-O 2.91Å; T644-T659 PolarHBondContact O-N 3.1Å; T644-T659 VanDerWaalsContact O-N 3.1Å; T644-T659 PolarHBondContact OG1-OG1 3.02Å; T644-N661 HydrophobicContact CG2-CB 3.59Å
645	K	93	Very high	86.8	Confident	10 Å²	10	74.6 Å²	74.6	4%	0.043	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.1	-176.5	-172.1	179.2	80.9	71.6	0	110.5	A634 P647 S649 E651 I652 H656 M657 F658	A634-K645 HydrophobicContact CB-CB 4.25Å; K645-P647 PolarHBondContact NZ-O 3.35Å; K645-P647 CarbonylContact O-C 3.47Å; K645-S649 VanDerWaalsContact CE-O 3.24Å; K645-S649 WeakPolarHBondContact CE-O 3.4Å; K645-S649 PolarHBondContact NZ-OG 3.47Å; K645-E651 WeakPolarHBondContact CE-O 3.41Å; K645-E651 PolarHBondContact NZ-O 3.26Å; K645-I652 HydrophobicContact CD-CG1 4.25Å; K645-H656 HydrophobicContact CD-CB 4.19Å; K645-H656 HydrophobicContact CG-CB 4.2Å; K645-H656 PolarHBondContact NZ-CE1 3.16Å; K645-H656 PolarHBondContact NZ-ND1 3.05Å; K645-M657 CarbonylContact C-O 3.5Å; K645-M657 VanDerWaalsContact CA-O 3.31Å; K645-M657 WeakPolarHBondContact CA-O 3.44Å; K645-F658 HydrophobicContact CB-CD1 4.18Å; K645-F658 HydrophobicContact CB-CE1 4.05Å; K645-F658 HydrophobicContact CD-CE1 3.66Å; K645-F658 HydrophobicContact CD-CZ 3.8Å; K645-F658 HydrophobicContact CG-CD1 4.18Å; K645-F658 HydrophobicContact CG-CE1 3.73Å; K645-F658 HydrophobicContact CG-CZ 4.05Å
646	E	90.1	Very high	87.2	Confident	107 Å²	107	73.4 Å²	73.4	50%	0.5	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.3	172	-65.5	-174.8	167.7	0	0	109.9	M657	E646-M657 HydrophobicContact CB-CE 4.43Å; E646-M657 PolarHBondContact N-O 3.31Å; E646-M657 PolarHBondContact O-N 3.03Å; E646-M657 WeakPolarHBondContact OE2-CE 3.31Å
647	P	87.8	Confident	87.8	Confident	80 Å²	80	75.2 Å²	75.2	52%	0.519	38%	0.383	S	S	.	.	S	Bend	cis	-68.1	157.4	-5.1	29.4	-36.3	0	0	0	113.3	K645 S649	K645-P647 PolarHBondContact NZ-O 3.35Å; K645-P647 CarbonylContact O-C 3.47Å; P647-S649 PolarHBondContact O-N 3.49Å
648	K	85.1	Confident	88.5	Confident	202 Å²	202	68.5 Å²	68.5	88%	0.878	35%	0.354	S	S	*	.			trans	-74.3	94.5	177.4	-67.2	-179.6	-175.8	173.2	0	110.4
649	S	86.2	Confident	89.1	Confident	47 Å²	47	65.7 Å²	65.7	33%	0.329	34%	0.335	S	S	.	.			trans	-137.5	167	173.5	69.7	0	0	0	0	111.1	K645 P647 E651	K645-S649 VanDerWaalsContact CE-O 3.24Å; K645-S649 WeakPolarHBondContact CE-O 3.4Å; K645-S649 PolarHBondContact NZ-OG 3.47Å; P647-S649 PolarHBondContact O-N 3.49Å; S649-E651 VanDerWaalsContact C-N 3.33Å; S649-E651 PolarHBondContact OG-O 3.43Å
650	K	80.9	Confident	89.6	Confident	187 Å²	187	64.4 Å²	64.4	81%	0.813	33%	0.327	S	S	*	.	S	Bend	trans	-77.6	-22.1	175.1	-72.2	-176.4	178.7	175.3	0	112.7
651	E	85.7	Confident	89.8	Confident	127 Å²	127	64.3 Å²	64.3	59%	0.593	33%	0.327	S	S	*	.	S	Bend	trans	-91.3	152.3	-176.3	-65.4	-179.6	-164.8	0	0	110.9	K645 S649 H656	K645-E651 WeakPolarHBondContact CE-O 3.41Å; K645-E651 PolarHBondContact NZ-O 3.26Å; S649-E651 VanDerWaalsContact C-N 3.33Å; S649-E651 PolarHBondContact OG-O 3.43Å; E651-H656 PolarHBondContact O-CE1 3.38Å; E651-H656 PolarHBondContact O-ND1 3.48Å
652	I	87.8	Confident	89.8	Confident	16 Å²	16	62.2 Å²	62.2	8%	0.082	32%	0.324	C	S	.	.			trans	-117.8	121.3	175.7	-61.6	-167.5	0	0	0	107.1	F612 V627 L630 Q631 K645 H656 F658	F612-I652 HydrophobicContact CD2-CG2 3.58Å; F612-I652 HydrophobicContact CE2-CG2 3.69Å; V627-I652 HydrophobicContact CG1-CB 4.2Å; V627-I652 HydrophobicContact CG2-CB 4.41Å; V627-I652 HydrophobicContact CG2-CG2 4.21Å; L630-I652 VanDerWaalsContact C-CD1 3.42Å; L630-I652 HydrophobicContact CB-CD1 3.31Å; L630-I652 HydrophobicContact CD1-CG2 4.4Å; Q631-I652 HydrophobicContact CB-CD1 4.21Å; Q631-I652 HydrophobicContact CG-CD1 3.61Å; Q631-I652 HydrophobicContact CG-CG1 3.84Å; K645-I652 HydrophobicContact CD-CG1 4.25Å; I652-H656 WeakPolarHBondContact CA-ND1 3.37Å; I652-F658 HydrophobicContact CD1-CE1 4.21Å; I652-F658 HydrophobicContact CD1-CZ 4.09Å; I652-F658 HydrophobicContact CG1-CZ 4.49Å; I652-F658 HydrophobicContact CG2-CZ 4Å
653	E	89.2	Confident	89.4	Confident	100 Å²	100	68.8 Å²	68.8	47%	0.467	35%	0.354	S	S	.	.			trans	-136.1	166.1	-173.6	-62.8	170.6	-139.9	0	0	108.1	H656	E653-H656 PolarHBondContact N-CE1 2.63Å; E653-H656 PolarHBondContact N-ND1 2.84Å; E653-H656 WeakPolarHBondContact O-CB 3.29Å; E653-H656 VanDerWaalsContact O-CG 3.31Å; E653-H656 PolarHBondContact O-N 2.67Å
654	N	86.9	Confident	89.1	Confident	99 Å²	99	68.9 Å²	68.9	53%	0.529	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	143.3	171.4	-69.5	-16.9	0	0	0	110.8	F612 E613 H656	F612-N654 WeakPolarHBondContact CD1-OD1 3.25Å; F612-N654 VanDerWaalsContact CE1-OD1 3.23Å; F612-N654 WeakPolarHBondContact CE1-OD1 3.29Å; E613-N654 WeakPolarHBondContact OE1-CA 3.36Å; E613-N654 VanDerWaalsContact OE1-CB 3.25Å; E613-N654 WeakPolarHBondContact OE1-CB 3.45Å; N654-H656 VanDerWaalsContact C-N 3.28Å; N654-H656 PolarHBondContact O-N 2.64Å
655	G	88.5	Confident	88.7	Confident	41 Å²	41	70.3 Å²	70.3	42%	0.423	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-7.9	-176.3	0	0	0	0	0	115.5	E613 M657	E613-G655 VanDerWaalsContact CD-N 3.32Å; E613-G655 PolarHBondContact OE1-N 3.28Å; E613-G655 PolarHBondContact OE2-N 2.95Å; G655-M657 PolarHBondContact O-N 3.03Å
656	H	94	Very high	88.3	Confident	12 Å²	12	71.2 Å²	71.2	6%	0.056	37%	0.371	C	S	.	.			trans	-67.8	132.9	174.6	-72.9	173.5	0	0	0	111.6	M611 F612 K645 E651 I652 E653 N654 F658	M611-H656 CarbonylContact C-O 3.55Å; M611-H656 WeakPolarHBondContact CA-O 3.47Å; F612-H656 PolarHBondContact N-O 2.93Å; K645-H656 HydrophobicContact CD-CB 4.19Å; K645-H656 HydrophobicContact CG-CB 4.2Å; K645-H656 PolarHBondContact NZ-CE1 3.16Å; K645-H656 PolarHBondContact NZ-ND1 3.05Å; E651-H656 PolarHBondContact O-CE1 3.38Å; E651-H656 PolarHBondContact O-ND1 3.48Å; I652-H656 WeakPolarHBondContact CA-ND1 3.37Å; E653-H656 PolarHBondContact N-CE1 2.63Å; E653-H656 PolarHBondContact N-ND1 2.84Å; E653-H656 WeakPolarHBondContact O-CB 3.29Å; E653-H656 VanDerWaalsContact O-CG 3.31Å; E653-H656 PolarHBondContact O-N 2.67Å; N654-H656 VanDerWaalsContact C-N 3.28Å; N654-H656 PolarHBondContact O-N 2.64Å; H656-F658 HydrophobicContact CB-CE2 4Å; H656-F658 HydrophobicContact CB-CZ 4.21Å
657	M	93.3	Very high	88.1	Confident	58 Å²	58	76.4 Å²	76.4	29%	0.286	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	136.3	179.8	-172.9	168.6	59.6	0	0	110.8	K609 K645 E646 G655	K609-M657 HydrophobicContact CB-CG 4.28Å; K609-M657 HydrophobicContact CB-SD 4.24Å; K609-M657 HydrophobicContact CD-SD 3.77Å; K609-M657 HydrophobicContact CG-SD 4.31Å; K645-M657 CarbonylContact C-O 3.5Å; K645-M657 VanDerWaalsContact CA-O 3.31Å; K645-M657 WeakPolarHBondContact CA-O 3.44Å; E646-M657 HydrophobicContact CB-CE 4.43Å; E646-M657 PolarHBondContact N-O 3.31Å; E646-M657 PolarHBondContact O-N 3.03Å; E646-M657 WeakPolarHBondContact OE2-CE 3.31Å; G655-M657 PolarHBondContact O-N 3.03Å
658	F	95.3	Very high	88	Confident	0 Å²	0	78 Å²	78	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140.1	-179.5	-61.2	-90.7	0	0	0	111	F604 K609 S610 F612 I615 L630 A634 T644 K645 I652 H656	F604-F658 WeakPolarHBondContact CE1-O 3.4Å; F604-F658 HydrophobicContact CZ-CB 3.95Å; K609-F658 WeakPolarHBondContact CA-O 3.37Å; S610-F658 PolarHBondContact N-O 2.96Å; S610-F658 PolarHBondContact O-N 3.21Å; F612-F658 HydrophobicContact CB-CE2 4.17Å; F612-F658 HydrophobicContact CD2-CE2 4.47Å; I615-F658 HydrophobicContact CD1-CB 4.31Å; I615-F658 HydrophobicContact CD1-CD2 3.87Å; I615-F658 HydrophobicContact CD1-CG 4.3Å; L630-F658 HydrophobicContact CB-CE1 4.15Å; L630-F658 HydrophobicContact CB-CZ 4.22Å; L630-F658 HydrophobicContact CD1-CE1 4.42Å; L630-F658 HydrophobicContact CD1-CE2 3.95Å; L630-F658 HydrophobicContact CD1-CZ 3.85Å; L630-F658 HydrophobicContact CD2-CD1 4.15Å; L630-F658 HydrophobicContact CD2-CE1 4.12Å; L630-F658 HydrophobicContact CD2-CG 4.36Å; L630-F658 HydrophobicContact CD2-CZ 4.32Å; L630-F658 HydrophobicContact CG-CE1 4.48Å; L630-F658 HydrophobicContact CG-CZ 4.38Å; A634-F658 HydrophobicContact CB-CD1 4.1Å; A634-F658 HydrophobicContact CB-CE1 4.01Å; T644-F658 VanDerWaalsContact O-CA 3.31Å; T644-F658 WeakPolarHBondContact O-CA 3.42Å; K645-F658 HydrophobicContact CB-CD1 4.18Å; K645-F658 HydrophobicContact CB-CE1 4.05Å; K645-F658 HydrophobicContact CD-CE1 3.66Å; K645-F658 HydrophobicContact CD-CZ 3.8Å; K645-F658 HydrophobicContact CG-CD1 4.18Å; K645-F658 HydrophobicContact CG-CE1 3.73Å; K645-F658 HydrophobicContact CG-CZ 4.05Å; I652-F658 HydrophobicContact CD1-CE1 4.21Å; I652-F658 HydrophobicContact CD1-CZ 4.09Å; I652-F658 HydrophobicContact CG1-CZ 4.49Å; I652-F658 HydrophobicContact CG2-CZ 4Å; H656-F658 HydrophobicContact CB-CE2 4Å; H656-F658 HydrophobicContact CB-CZ 4.21Å
659	T	93.4	Very high	88.2	Confident	36 Å²	36	74 Å²	74	22%	0.221	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	159	176.7	57.8	0	0	0	0	110.7	K609 L643 T644	K609-T659 HydrophobicContact CB-CG2 3.64Å; L643-T659 CarbonylContact C-O 3.49Å; L643-T659 VanDerWaalsContact CA-O 3.22Å; L643-T659 WeakPolarHBondContact CA-O 3.43Å; T644-T659 PolarHBondContact N-O 2.91Å; T644-T659 PolarHBondContact O-N 3.1Å; T644-T659 VanDerWaalsContact O-N 3.1Å; T644-T659 PolarHBondContact OG1-OG1 3.02Å
660	V	92.9	Very high	88.4	Confident	49 Å²	49	77.4 Å²	77.4	30%	0.297	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	133.5	175.6	178.9	0	0	0	0	110.3	F562 F604 L643 D662	F562-V660 HydrophobicContact CD1-CG1 4.18Å; F562-V660 HydrophobicContact CE1-CG1 4.13Å; F604-V660 HydrophobicContact CB-CG2 3.63Å; F604-V660 HydrophobicContact CD1-CG2 3.95Å; F604-V660 HydrophobicContact CG-CG2 3.91Å; L643-V660 HydrophobicContact CD2-CG2 4.41Å; V660-D662 PolarHBondContact O-N 3.36Å
661	N	91.3	Very high	88.9	Confident	26 Å²	26	68.8 Å²	68.8	14%	0.139	35%	0.348	C	S	.	.			trans	-85.2	83.3	174.3	-175.8	13.5	0	0	0	110.7	R641 V642 T644 Q663 F664	R641-N661 PolarHBondContact O-ND2 3.11Å; V642-N661 VanDerWaalsContact O-CB 3.31Å; V642-N661 WeakPolarHBondContact O-CB 3.48Å; V642-N661 PolarHBondContact O-N 2.66Å; T644-N661 HydrophobicContact CG2-CB 3.59Å; N661-Q663 PolarHBondContact O-N 3.04Å; N661-Q663 VanDerWaalsContact O-N 3.08Å; N661-Q663 WeakPolarHBondContact OD1-CB 3.31Å; N661-Q663 PolarHBondContact OD1-N 3Å; N661-F664 WeakPolarHBondContact O-CB 3.35Å; N661-F664 PolarHBondContact O-N 3.09Å
662	D	87.3	Confident	89	Confident	57 Å²	57	67.8 Å²	67.8	31%	0.305	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.4	176.4	-86.4	-53.3	0	0	0	114.1	Y563 G564 V660 F664	Y563-D662 PolarHBondContact N-OD1 3.42Å; G564-D662 WeakPolarHBondContact CA-O 3.42Å; V660-D662 PolarHBondContact O-N 3.36Å; D662-F664 VanDerWaalsContact C-N 3.28Å
663	Q	83.9	Confident	89.1	Confident	142 Å²	142	67.2 Å²	67.2	66%	0.664	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.8	173.1	-58	-177.3	-1.6	0	0	113.3	N661 T665	N661-Q663 PolarHBondContact O-N 3.04Å; N661-Q663 VanDerWaalsContact O-N 3.08Å; N661-Q663 WeakPolarHBondContact OD1-CB 3.31Å; N661-Q663 PolarHBondContact OD1-N 3Å; Q663-T665 PolarHBondContact O-N 3.4Å
664	F	86.8	Confident	88.6	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.009	34%	0.344	C	S	.	.			trans	-53.2	135.8	-179.4	177	-102.6	0	0	0	112.2	F562 R587 H589 T639 R641 N661 D662 V671	F562-F664 HydrophobicContact CD1-CB 4.21Å; F562-F664 HydrophobicContact CD2-CD1 4.14Å; F562-F664 HydrophobicContact CE1-CB 4.19Å; F562-F664 HydrophobicContact CE1-CD1 4.41Å; F562-F664 AromaticContact CE2-CD1 3.74Å; F562-F664 HydrophobicContact CE2-CD1 3.74Å; F562-F664 HydrophobicContact CE2-CE1 4.33Å; F562-F664 AromaticContact CZ-CD1 3.91Å; F562-F664 HydrophobicContact CZ-CD1 3.91Å; F562-F664 HydrophobicContact CZ-CG 4.44Å; R587-F664 PolarHBondContact NH1-O 2.66Å; H589-F664 AromaticContact CD2-CD1 3.99Å; H589-F664 AromaticContact CD2-CE1 3.8Å; T639-F664 WeakPolarHBondContact O-CE2 3.42Å; R641-F664 WeakPolarHBondContact O-CD2 3.31Å; N661-F664 WeakPolarHBondContact O-CB 3.35Å; N661-F664 PolarHBondContact O-N 3.09Å; D662-F664 VanDerWaalsContact C-N 3.28Å; F664-V671 HydrophobicContact CE1-CG2 4.45Å; F664-V671 HydrophobicContact CZ-CG1 4.2Å; F664-V671 HydrophobicContact CZ-CG2 4.29Å
665	T	82.4	Confident	87.9	Confident	78 Å²	78	66.4 Å²	66.4	48%	0.479	34%	0.337	S	S	.	.			trans	-140.7	143.1	175.9	53.1	0	0	0	0	110.9	Q663	Q663-T665 PolarHBondContact O-N 3.4Å
666	S	84.8	Confident	86.6	Confident	30 Å²	30	68.1 Å²	68.1	21%	0.21	34%	0.338	C	S	.	.			trans	-143.5	145	171.1	-179.3	0	0	0	0	110.4	L668 V671	S666-L668 PolarHBondContact O-N 3.41Å; S666-L668 PolarHBondContact OG-N 3.43Å; S666-L668 VanDerWaalsContact OG-N 3.13Å; S666-L668 PolarHBondContact OG-O 3.42Å; S666-V671 WeakPolarHBondContact OG-CG2 3.43Å
667	K	85.9	Confident	84.6	Confident	216 Å²	216	71.5 Å²	71.5	94%	0.939	37%	0.368	S	S	*	.	S	Bend	trans	-68.7	-18.1	170.5	-63.8	-174.4	179	-175.8	0	112.3
668	L	87	Confident	82.4	Confident	114 Å²	114	71.6 Å²	71.6	60%	0.597	38%	0.378	S	S	*	.			trans	-102.7	133.2	-178.4	-59	176.8	0	0	0	110.3	H589 S666 R670 V671	H589-L668 PolarHBondContact ND1-O 3.03Å; S666-L668 PolarHBondContact O-N 3.41Å; S666-L668 PolarHBondContact OG-N 3.43Å; S666-L668 VanDerWaalsContact OG-N 3.13Å; S666-L668 PolarHBondContact OG-O 3.42Å; L668-R670 WeakPolarHBondContact CB-O 3.28Å; L668-V671 VanDerWaalsContact O-CG2 3.28Å; L668-V671 WeakPolarHBondContact O-CG2 3.28Å
669	H	87.9	Confident	80.2	Confident	118 Å²	118	80.9 Å²	80.9	55%	0.546	42%	0.419	S	S	.	.	S	Bend	trans	-65.4	-42.2	172	-179.8	-101.9	0	0	0	111.6	H589 I590	H589-H669 WeakPolarHBondContact CA-O 3.36Å; I590-H669 PolarHBondContact N-O 2.89Å
670	R	91.4	Very high	78.3	Confident	118 Å²	118	87.5 Å²	87.5	45%	0.445	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	112.8	172.5	-163.3	176.7	-152	118.3	-4.7	109.4	D557 I590 Q592 L668	D557-R670 VanDerWaalsContact CG-NH2 3.28Å; D557-R670 IonicContact OD1-NE 2.8Å; D557-R670 IonicContact OD1-NH2 2.61Å; D557-R670 IonicContact OD2-CZ 2.87Å; D557-R670 IonicContact OD2-NE 3.3Å; D557-R670 IonicContact OD2-NH2 3.92Å; D557-R670 PolarHBondContact OD2-NH2 2.94Å; I590-R670 HydrophobicContact CB-CB 4.43Å; I590-R670 HydrophobicContact CB-CG 4.06Å; I590-R670 HydrophobicContact CG2-CG 4.05Å; I590-R670 CarbonylContact O-C 3.39Å; I590-R670 WeakPolarHBondContact O-CA 3.43Å; Q592-R670 HydrophobicContact CG-CG 3.77Å; L668-R670 WeakPolarHBondContact CB-O 3.28Å
671	V	90.5	Very high	76.8	Confident	5 Å²	5	86.2 Å²	86.2	3%	0.03	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119	-175.7	-173.3	0	0	0	0	109.5	H589 I590 L591 Q592 F664 S666 L668	H589-V671 HydrophobicContact CB-CG2 4.47Å; I590-V671 PolarHBondContact O-N 3.48Å; L591-V671 WeakPolarHBondContact CA-O 3.43Å; L591-V671 HydrophobicContact CD2-CB 4.1Å; Q592-V671 PolarHBondContact N-O 2.93Å; F664-V671 HydrophobicContact CE1-CG2 4.45Å; F664-V671 HydrophobicContact CZ-CG1 4.2Å; F664-V671 HydrophobicContact CZ-CG2 4.29Å; S666-V671 WeakPolarHBondContact OG-CG2 3.43Å; L668-V671 VanDerWaalsContact O-CG2 3.28Å; L668-V671 WeakPolarHBondContact O-CG2 3.28Å
672	K	89.4	Confident	75.9	Confident	107 Å²	107	86.5 Å²	86.5	47%	0.465	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	113.8	173	-173.4	168.9	-172.5	163.5	0	110.6	Q592 Q640 Q674	Q592-K672 HydrophobicContact CB-CB 4.39Å; Q592-K672 HydrophobicContact CB-CG 4.34Å; Q640-K672 PolarHBondContact NE2-O 3.35Å; K672-Q674 HydrophobicContact CG-CG 4.25Å; K672-Q674 PolarHBondContact O-N 3.23Å
673	I	88.4	Confident	75.1	Confident	4 Å²	4	86 Å²	86	2%	0.021	45%	0.445	C	S	.	.			trans	-88.4	99.6	174.1	-50.7	-176.6	0	0	0	106.8	L591 Q592 V593 L633 V642 T675	L591-I673 HydrophobicContact CB-CD1 4.29Å; L591-I673 HydrophobicContact CD1-CD1 4.27Å; L591-I673 HydrophobicContact CD2-CD1 4.32Å; Q592-I673 PolarHBondContact O-N 3.37Å; V593-I673 HydrophobicContact CG1-CB 4.14Å; V593-I673 HydrophobicContact CG1-CD1 3.69Å; V593-I673 HydrophobicContact CG1-CG1 4.11Å; L633-I673 HydrophobicContact CD2-CD1 3.97Å; L633-I673 HydrophobicContact CD2-CG2 4.19Å; V642-I673 HydrophobicContact CG2-CD1 3.28Å; V642-I673 HydrophobicContact CG2-CG1 4.4Å; I673-T675 PolarHBondContact O-N 2.95Å
674	Q	79.9	Confident	74.7	Confident	122 Å²	122	83.7 Å²	83.7	57%	0.57	44%	0.437	S	S	*	.			trans	-74.2	122.9	177.4	-64.3	-175.4	5.7	0	0	108.2	S632 K672	S632-Q674 WeakPolarHBondContact CB-O 3.25Å; K672-Q674 HydrophobicContact CG-CG 4.25Å; K672-Q674 PolarHBondContact O-N 3.23Å
675	T	70.7	Confident	74.3	Confident	60 Å²	60	88.1 Å²	88.1	37%	0.368	47%	0.466	S	S	.	.			trans	-52.4	142.3	163.8	-20.1	0	0	0	0	108.1	I673 A677	I673-T675 PolarHBondContact O-N 2.95Å; T675-A677 PolarHBondContact O-N 2.74Å
676	V	62.6	Low	74.1	Confident	76 Å²	76	86.3 Å²	86.3	46%	0.461	45%	0.452	S	S	.	.			trans	-57.8	104.7	176.1	-179.3	0	0	0	0	107.2	Q631	Q631-V676 HydrophobicContact CB-CG2 4.16Å
677	A	51.5	Low	74	Confident	83 Å²	83	87 Å²	87	69%	0.686	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-69	142.2	-174.4	0	0	0	0	0	109.2	T675	T675-A677 PolarHBondContact O-N 2.74Å
678	A	46.2	Very low	74	Confident	60 Å²	60	84.5 Å²	84.5	50%	0.496	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-54.1	141.4	154.2	0	0	0	0	0	108
679	K	49.7	Very low	73.9	Confident	196 Å²	196	83.9 Å²	83.9	85%	0.852	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-48.7	157.6	171.7	-68.8	178	176.8	178.7	0	109.5	G681	K679-G681 PolarHBondContact O-N 2.89Å
680	Q	53.4	Low	73.9	Confident	175 Å²	175	78.6 Å²	78.6	82%	0.818	41%	0.41	S	S	*	.	S	Bend	trans	-53.7	113.6	177.2	-71.9	178.9	-4.5	0	0	110.2
681	G	62.2	Low	73.7	Confident	21 Å²	21	76.7 Å²	76.7	22%	0.216	40%	0.403	C	S	.	.	S	Bend	trans	108.7	168.4	-174.3	0	0	0	0	0	113.4	K679	K679-G681 PolarHBondContact O-N 2.89Å
682	E	71.9	Confident	73.7	Confident	32 Å²	32	81.1 Å²	81.1	15%	0.15	42%	0.423	C	S	.	.			trans	-71.8	147.7	171.7	-73.2	-174.7	163.3	0	0	109.9	Y430 Q433 E686 R687 T690	Y430-E682 HydrophobicContact CE1-CG 4.33Å; Y430-E682 WeakPolarHBondContact CE1-OE2 2.85Å; Y430-E682 PolarHBondContact OH-OE2 2.95Å; Q433-E682 PolarHBondContact NE2-OE1 3.24Å; Q433-E682 PolarHBondContact OE1-OE1 3.34Å; E682-E686 HydrophobicContact CB-CB 3.84Å; E682-E686 HydrophobicContact CG-CB 4.21Å; E682-R687 HydrophobicContact CB-CG 3.68Å; E682-R687 PolarHBondContact O-NH1 2.95Å; E682-R687 PolarHBondContact O-NH2 3.43Å; E682-R687 WeakPolarHBondContact OE2-CA 3.44Å; E682-T690 VanDerWaalsContact CD-OG1 3.25Å; E682-T690 PolarHBondContact OE1-OG1 3.22Å; E682-T690 VanDerWaalsContact OE2-CB 3.29Å; E682-T690 WeakPolarHBondContact OE2-CB 3.16Å; E682-T690 PolarHBondContact OE2-OG1 3.45Å
683	S	70.5	Confident	73.6	Confident	47 Å²	47	78.4 Å²	78.4	33%	0.329	41%	0.411	S	S	.	.			trans	-67.4	158.3	166.7	60.1	0	0	0	0	110.7	P685 E686 R687	S683-P685 VanDerWaalsContact C-CD 3.45Å; S683-P685 VanDerWaalsContact C-N 3.3Å; S683-E686 WeakPolarHBondContact CB-OE2 3.31Å; S683-E686 PolarHBondContact N-OE2 2.85Å; S683-E686 CarbonylContact O-C 3.54Å; S683-E686 WeakPolarHBondContact O-CA 3.34Å; S683-E686 WeakPolarHBondContact O-CB 3.38Å; S683-E686 PolarHBondContact O-N 3.21Å; S683-E686 WeakPolarHBondContact OG-CG 3.22Å; S683-E686 PolarHBondContact OG-OE2 3.1Å; S683-R687 PolarHBondContact O-N 2.78Å
684	D	75.1	Confident	73.8	Confident	93 Å²	93	78.5 Å²	78.5	50%	0.497	41%	0.412	S	S	.	.	H	α-helix	trans	-56.3	-36.4	-178.3	-63.7	-27	0	0	0	114.5	R687 K688	D684-R687 IonicContact OD1-NH1 3.94Å; D684-R687 PolarHBondContact OD1-NH1 3.01Å; D684-K688 WeakPolarHBondContact O-CG 3.33Å; D684-K688 PolarHBondContact O-N 3.4Å; D684-K688 VanDerWaalsContact O-N 3.1Å
685	P	78.9	Confident	74.3	Confident	95 Å²	95	75.3 Å²	75.3	62%	0.617	40%	0.399	S	S	*	.	H	α-helix	trans	-62.7	-42.9	170.3	-23.8	35.1	0	0	0	113.4	S683 K688 E689	S683-P685 VanDerWaalsContact C-CD 3.45Å; S683-P685 VanDerWaalsContact C-N 3.3Å; P685-K688 PolarHBondContact O-N 2.95Å; P685-E689 PolarHBondContact O-N 3.48Å
686	E	78.6	Confident	75.3	Confident	40 Å²	40	75 Å²	75	19%	0.187	40%	0.395	C	S	.	.	H	α-helix	trans	-66.2	-39.4	178.5	-73.2	160.1	173.7	0	0	111	R624 R628 E682 S683 K688 E689 T690	R624-E686 IonicContact CZ-OE1 2.95Å; R624-E686 IonicContact NH2-OE1 2.85Å; R624-E686 PolarHBondContact NH2-OE1 2.79Å; R628-E686 IonicContact NH2-OE1 2.74Å; E682-E686 HydrophobicContact CB-CB 3.84Å; E682-E686 HydrophobicContact CG-CB 4.21Å; S683-E686 WeakPolarHBondContact CB-OE2 3.31Å; S683-E686 PolarHBondContact N-OE2 2.85Å; S683-E686 CarbonylContact O-C 3.54Å; S683-E686 WeakPolarHBondContact O-CA 3.34Å; S683-E686 WeakPolarHBondContact O-CB 3.38Å; S683-E686 PolarHBondContact O-N 3.21Å; S683-E686 WeakPolarHBondContact OG-CG 3.22Å; S683-E686 PolarHBondContact OG-OE2 3.1Å; E686-K688 PolarHBondContact O-N 3.13Å; E686-E689 WeakPolarHBondContact O-CB 3.45Å; E686-E689 PolarHBondContact O-N 2.82Å; E686-T690 PolarHBondContact O-N 2.78Å; E686-T690 PolarHBondContact O-OG1 2.9Å
687	R	83.3	Confident	76.6	Confident	46 Å²	46	74.9 Å²	74.9	17%	0.174	39%	0.391	C	S	.	.	H	α-helix	trans	-60.1	-44.9	173.6	-72	-177.5	175.5	118.3	11.9	112.2	E385 E682 S683 D684 E689 T690 R691	E385-R687 IonicContact OE1-CZ 3.51Å; E385-R687 IonicContact OE1-NE 3.25Å; E385-R687 PolarHBondContact OE1-NE 3.26Å; E385-R687 IonicContact OE1-NH2 2.81Å; E385-R687 PolarHBondContact OE1-NH2 2.93Å; E385-R687 IonicContact OE2-CZ 3.88Å; E385-R687 IonicContact OE2-NE 2.88Å; E385-R687 PolarHBondContact OE2-NE 3.08Å; E385-R687 IonicContact OE2-NH2 2.64Å; E682-R687 HydrophobicContact CB-CG 3.68Å; E682-R687 PolarHBondContact O-NH1 2.95Å; E682-R687 PolarHBondContact O-NH2 3.43Å; E682-R687 WeakPolarHBondContact OE2-CA 3.44Å; S683-R687 PolarHBondContact O-N 2.78Å; D684-R687 IonicContact OD1-NH1 3.94Å; D684-R687 PolarHBondContact OD1-NH1 3.01Å; R687-E689 VanDerWaalsContact C-N 3.31Å; R687-E689 PolarHBondContact O-N 3.31Å; R687-T690 PolarHBondContact O-N 2.86Å; R687-R691 WeakPolarHBondContact O-CB 3.26Å; R687-R691 PolarHBondContact O-N 3.1Å
688	K	85	Confident	78.6	Confident	163 Å²	163	72.2 Å²	72.2	71%	0.709	36%	0.364	S	S	*	.	H	α-helix	trans	-61.4	-41.6	176.6	-75.9	178.6	-179.9	-179.7	0	111.2	D684 P685 E686 R691 Q692	D684-K688 WeakPolarHBondContact O-CG 3.33Å; D684-K688 PolarHBondContact O-N 3.4Å; D684-K688 VanDerWaalsContact O-N 3.1Å; P685-K688 PolarHBondContact O-N 2.95Å; E686-K688 PolarHBondContact O-N 3.13Å; K688-R691 PolarHBondContact O-N 3.29Å; K688-Q692 WeakPolarHBondContact O-CB 3.47Å; K688-Q692 PolarHBondContact O-N 3.41Å
689	E	85.6	Confident	80.9	Confident	100 Å²	100	72.9 Å²	72.9	47%	0.467	36%	0.355	S	S	.	.	H	α-helix	trans	-63.7	-45.7	175.4	-169.6	-170	159.8	0	0	111.7	P685 E686 R687 R691 Q692 K693	P685-E689 PolarHBondContact O-N 3.48Å; E686-E689 WeakPolarHBondContact O-CB 3.45Å; E686-E689 PolarHBondContact O-N 2.82Å; R687-E689 VanDerWaalsContact C-N 3.31Å; R687-E689 PolarHBondContact O-N 3.31Å; E689-R691 VanDerWaalsContact C-N 3.32Å; E689-R691 PolarHBondContact O-N 2.76Å; E689-Q692 PolarHBondContact O-N 3.49Å; E689-K693 WeakPolarHBondContact O-CG 3.31Å; E689-K693 PolarHBondContact O-N 2.76Å; E689-K693 WeakPolarHBondContact OE1-CE 3.44Å; E689-K693 IonicContact OE1-NZ 2.8Å; E689-K693 PolarHBondContact OE1-NZ 3.45Å
690	T	86.4	Confident	82.9	Confident	8 Å²	8	69.2 Å²	69.2	5%	0.049	34%	0.341	C	S	.	.	H	α-helix	trans	-59	-44.7	176.1	-69.7	0	0	0	0	111.1	R429 Y430 E682 E686 R687 K693 V694	R429-T690 HydrophobicContact CG-CG2 3.82Å; Y430-T690 HydrophobicContact CE1-CG2 4.02Å; Y430-T690 HydrophobicContact CE2-CG2 4.37Å; E682-T690 VanDerWaalsContact CD-OG1 3.25Å; E682-T690 PolarHBondContact OE1-OG1 3.22Å; E682-T690 VanDerWaalsContact OE2-CB 3.29Å; E682-T690 WeakPolarHBondContact OE2-CB 3.16Å; E682-T690 PolarHBondContact OE2-OG1 3.45Å; E686-T690 PolarHBondContact O-N 2.78Å; E686-T690 PolarHBondContact O-OG1 2.9Å; R687-T690 PolarHBondContact O-N 2.86Å; T690-K693 PolarHBondContact O-N 2.98Å; T690-V694 WeakPolarHBondContact O-CG2 3.38Å; T690-V694 PolarHBondContact O-N 2.74Å; T690-V694 VanDerWaalsContact O-N 3.12Å
691	R	88.7	Confident	84.8	Confident	78 Å²	78	63 Å²	63	29%	0.294	31%	0.312	S	S	.	.	H	α-helix	trans	-61.8	-46.9	176.6	-173.9	63.7	173.4	-136.2	9.9	111.9	E423 R687 K688 E689 K693 V694 D695	E423-R691 VanDerWaalsContact CD-NH2 3.3Å; E423-R691 IonicContact OE1-CZ 3.83Å; E423-R691 IonicContact OE1-NH1 2.83Å; E423-R691 IonicContact OE1-NH2 2.66Å; E423-R691 PolarHBondContact OE1-NH2 3.45Å; E423-R691 IonicContact OE2-CZ 3.34Å; E423-R691 VanDerWaalsContact OE2-CZ 3.29Å; E423-R691 IonicContact OE2-NH1 3.99Å; E423-R691 PolarHBondContact OE2-NH1 3.05Å; E423-R691 IonicContact OE2-NH2 3.15Å; E423-R691 PolarHBondContact OE2-NH2 3.24Å; R687-R691 WeakPolarHBondContact O-CB 3.26Å; R687-R691 PolarHBondContact O-N 3.1Å; K688-R691 PolarHBondContact O-N 3.29Å; E689-R691 VanDerWaalsContact C-N 3.32Å; E689-R691 PolarHBondContact O-N 2.76Å; R691-K693 VanDerWaalsContact C-N 3.3Å; R691-K693 PolarHBondContact O-N 3.45Å; R691-V694 PolarHBondContact O-N 3.08Å; R691-V694 VanDerWaalsContact O-N 3.13Å; R691-D695 IonicContact NE-OD2 2.66Å; R691-D695 PolarHBondContact O-N 3.26Å
692	Q	89.4	Confident	86.4	Confident	98 Å²	98	62.1 Å²	62.1	46%	0.458	30%	0.302	S	S	.	.	H	α-helix	trans	-58.5	-42.8	178.4	-176.5	57.6	54	0	0	111.7	K688 E689 V694 D695 D696	K688-Q692 WeakPolarHBondContact O-CB 3.47Å; K688-Q692 PolarHBondContact O-N 3.41Å; E689-Q692 PolarHBondContact O-N 3.49Å; Q692-V694 PolarHBondContact O-N 3.04Å; Q692-D695 PolarHBondContact O-N 3.29Å; Q692-D696 PolarHBondContact NE2-OD1 3.21Å; Q692-D696 VanDerWaalsContact NE2-OD1 3.14Å; Q692-D696 PolarHBondContact NE2-OD2 3.14Å; Q692-D696 VanDerWaalsContact O-CG 3.28Å; Q692-D696 PolarHBondContact O-N 2.88Å
693	K	88.5	Confident	87.5	Confident	50 Å²	50	61.6 Å²	61.6	22%	0.217	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-41.3	176.4	-72.1	177.4	-174.2	167.5	0	112.3	E689 T690 R691 D696 D697	E689-K693 WeakPolarHBondContact O-CG 3.31Å; E689-K693 PolarHBondContact O-N 2.76Å; E689-K693 WeakPolarHBondContact OE1-CE 3.44Å; E689-K693 IonicContact OE1-NZ 2.8Å; E689-K693 PolarHBondContact OE1-NZ 3.45Å; T690-K693 PolarHBondContact O-N 2.98Å; R691-K693 VanDerWaalsContact C-N 3.3Å; R691-K693 PolarHBondContact O-N 3.45Å; K693-D696 PolarHBondContact O-N 3.19Å; K693-D697 PolarHBondContact O-N 3.29Å
694	V	91.5	Very high	88.7	Confident	5 Å²	5	61.2 Å²	61.2	3%	0.03	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-44.2	175.1	174.5	0	0	0	0	110.5	D425 V426 R429 T690 R691 Q692 D696 D697 R698	D425-V694 WeakPolarHBondContact OD2-CG1 3.36Å; V426-V694 HydrophobicContact CG2-CG1 3.89Å; R429-V694 HydrophobicContact CB-CG2 4.03Å; R429-V694 HydrophobicContact CG-CG2 4Å; T690-V694 WeakPolarHBondContact O-CG2 3.38Å; T690-V694 PolarHBondContact O-N 2.74Å; T690-V694 VanDerWaalsContact O-N 3.12Å; R691-V694 PolarHBondContact O-N 3.08Å; R691-V694 VanDerWaalsContact O-N 3.13Å; Q692-V694 PolarHBondContact O-N 3.04Å; V694-D696 VanDerWaalsContact C-N 3.28Å; V694-D696 PolarHBondContact O-N 3.21Å; V694-D697 PolarHBondContact O-N 3.28Å; V694-R698 HydrophobicContact CG1-CG 4.41Å; V694-R698 VanDerWaalsContact O-CG 3.31Å; V694-R698 WeakPolarHBondContact O-CG 3.26Å; V694-R698 PolarHBondContact O-N 3.33Å
695	D	90.6	Very high	89.6	Confident	55 Å²	55	56.8 Å²	56.8	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-65.6	-31.4	178.4	-70.5	-29.8	0	0	0	112.7	R691 Q692 R698 K699	R691-D695 IonicContact NE-OD2 2.66Å; R691-D695 PolarHBondContact O-N 3.26Å; Q692-D695 PolarHBondContact O-N 3.29Å; D695-R698 IonicContact OD1-NH1 3.64Å; D695-R698 PolarHBondContact OD1-NH1 3.27Å; D695-K699 WeakPolarHBondContact O-CG 3.47Å; D695-K699 PolarHBondContact O-N 3.22Å
696	D	90.8	Very high	90.5	Very high	55 Å²	55	52.3 Å²	52.3	29%	0.294	25%	0.247	S	C	.	.	H	α-helix	trans	-69.8	-42.1	171.6	-69	-30.2	0	0	0	112	Q692 K693 V694 R698 K699 H700	Q692-D696 PolarHBondContact NE2-OD1 3.21Å; Q692-D696 VanDerWaalsContact NE2-OD1 3.14Å; Q692-D696 PolarHBondContact NE2-OD2 3.14Å; Q692-D696 VanDerWaalsContact O-CG 3.28Å; Q692-D696 PolarHBondContact O-N 2.88Å; K693-D696 PolarHBondContact O-N 3.19Å; V694-D696 VanDerWaalsContact C-N 3.28Å; V694-D696 PolarHBondContact O-N 3.21Å; D696-R698 PolarHBondContact O-N 3.4Å; D696-K699 WeakPolarHBondContact O-CB 3.32Å; D696-K699 PolarHBondContact O-N 3.16Å; D696-K699 IonicContact OD1-NZ 2.69Å; D696-K699 PolarHBondContact OD1-NZ 2.85Å; D696-H700 PolarHBondContact O-CE1 2.88Å; D696-H700 PolarHBondContact O-ND1 2.8Å
697	D	90.1	Very high	91.3	Very high	72 Å²	72	51.8 Å²	51.8	39%	0.385	25%	0.246	S	C	.	.	H	α-helix	trans	-61.2	-43.7	174.5	-72.1	-22.7	0	0	0	110.7	R429 K693 V694 K699 H700 E701	R429-D697 IonicContact NH1-OD2 3.61Å; R429-D697 PolarHBondContact NH1-OD2 3.03Å; K693-D697 PolarHBondContact O-N 3.29Å; V694-D697 PolarHBondContact O-N 3.28Å; D697-K699 VanDerWaalsContact C-N 3.26Å; D697-K699 PolarHBondContact O-N 2.83Å; D697-H700 PolarHBondContact O-N 2.8Å; D697-H700 VanDerWaalsContact O-N 3.11Å; D697-E701 PolarHBondContact O-N 3.3Å; D697-E701 VanDerWaalsContact O-N 3.1Å
698	R	94.3	Very high	91.9	Very high	28 Å²	28	55.7 Å²	55.7	11%	0.106	26%	0.261	C	S	.	.	H	α-helix	trans	-55.8	-36.6	176.9	-74.5	174.1	174.6	177.7	-6.4	113.1	E423 D425 V694 D695 D696 H700 E701 I702 F733	E423-R698 IonicContact OE1-CZ 2.71Å; E423-R698 IonicContact OE1-NH1 2.74Å; E423-R698 PolarHBondContact OE1-NH1 2.88Å; E423-R698 IonicContact OE1-NH2 2.64Å; E423-R698 PolarHBondContact OE1-NH2 3.18Å; D425-R698 IonicContact OD1-CZ 3.1Å; D425-R698 IonicContact OD1-NE 3.87Å; D425-R698 IonicContact OD1-NH2 3.4Å; D425-R698 PolarHBondContact OD1-NH2 3.48Å; D425-R698 WeakPolarHBondContact OD2-CG 3.31Å; D425-R698 IonicContact OD2-CZ 2.71Å; D425-R698 IonicContact OD2-NE 3.2Å; D425-R698 PolarHBondContact OD2-NE 2.8Å; D425-R698 IonicContact OD2-NH2 3.5Å; D425-R698 PolarHBondContact OD2-NH2 3.46Å; V694-R698 HydrophobicContact CG1-CG 4.41Å; V694-R698 VanDerWaalsContact O-CG 3.31Å; V694-R698 WeakPolarHBondContact O-CG 3.26Å; V694-R698 PolarHBondContact O-N 3.33Å; D695-R698 IonicContact OD1-NH1 3.64Å; D695-R698 PolarHBondContact OD1-NH1 3.27Å; D696-R698 PolarHBondContact O-N 3.4Å; R698-H700 VanDerWaalsContact C-N 3.33Å; R698-H700 PolarHBondContact O-N 2.87Å; R698-E701 PolarHBondContact O-N 3.22Å; R698-I702 WeakPolarHBondContact O-CB 3.27Å; R698-I702 VanDerWaalsContact O-CG1 3.23Å; R698-I702 WeakPolarHBondContact O-CG1 3.2Å; R698-I702 PolarHBondContact O-N 3.38Å; R698-F733 HydrophobicContact CB-CE1 4.45Å; R698-F733 HydrophobicContact CB-CE2 4.17Å; R698-F733 HydrophobicContact CB-CZ 3.92Å; R698-F733 HydrophobicContact CG-CD1 4.16Å; R698-F733 HydrophobicContact CG-CD2 4.2Å; R698-F733 HydrophobicContact CG-CE1 3.86Å; R698-F733 HydrophobicContact CG-CE2 3.88Å; R698-F733 HydrophobicContact CG-CG 4.33Å; R698-F733 HydrophobicContact CG-CZ 3.71Å
699	K	93.5	Very high	92.4	Very high	73 Å²	73	48.7 Å²	48.7	32%	0.317	23%	0.231	S	C	.	.	H	α-helix	trans	-58.2	-47.7	178	-68.4	165.9	-168.5	167.1	0	110.9	D695 D696 D697 E703	D695-K699 WeakPolarHBondContact O-CG 3.47Å; D695-K699 PolarHBondContact O-N 3.22Å; D696-K699 WeakPolarHBondContact O-CB 3.32Å; D696-K699 PolarHBondContact O-N 3.16Å; D696-K699 IonicContact OD1-NZ 2.69Å; D696-K699 PolarHBondContact OD1-NZ 2.85Å; D697-K699 VanDerWaalsContact C-N 3.26Å; D697-K699 PolarHBondContact O-N 2.83Å; K699-E703 VanDerWaalsContact O-CG 3.31Å; K699-E703 WeakPolarHBondContact O-CG 3.37Å; K699-E703 PolarHBondContact O-N 3.37Å; K699-E703 VanDerWaalsContact O-N 3.08Å
700	H	93	Very high	92.9	Very high	120 Å²	120	44 Å²	44	56%	0.556	21%	0.209	S	C	*	.	H	α-helix	trans	-68.2	-38.4	-179.6	-57.6	95.3	0	0	0	111.5	D696 D697 R698 E703 A704	D696-H700 PolarHBondContact O-CE1 2.88Å; D696-H700 PolarHBondContact O-ND1 2.8Å; D697-H700 PolarHBondContact O-N 2.8Å; D697-H700 VanDerWaalsContact O-N 3.11Å; R698-H700 VanDerWaalsContact C-N 3.33Å; R698-H700 PolarHBondContact O-N 2.87Å; H700-E703 PolarHBondContact O-N 2.9Å; H700-A704 WeakPolarHBondContact O-CB 3.49Å; H700-A704 PolarHBondContact O-N 2.9Å
701	E	92.9	Very high	93.4	Very high	44 Å²	44	49.4 Å²	49.4	21%	0.206	23%	0.232	C	C	.	.	H	α-helix	trans	-65.9	-41.3	177.8	-67.2	-171.7	-170.2	0	0	112.9	D697 R698 A704 A705 R732 F733	D697-E701 PolarHBondContact O-N 3.3Å; D697-E701 VanDerWaalsContact O-N 3.1Å; R698-E701 PolarHBondContact O-N 3.22Å; E701-A704 PolarHBondContact O-N 3.04Å; E701-A705 WeakPolarHBondContact O-CB 3.48Å; E701-A705 PolarHBondContact O-N 3.29Å; E701-R732 IonicContact OE1-CZ 2.81Å; E701-R732 IonicContact OE1-NH1 3.8Å; E701-R732 PolarHBondContact OE1-NH1 3.21Å; E701-R732 IonicContact OE1-NH2 3.5Å; E701-R732 PolarHBondContact OE1-NH2 3.45Å; E701-R732 IonicContact OE2-CZ 2.74Å; E701-R732 IonicContact OE2-NE 3.67Å; E701-R732 IonicContact OE2-NH1 3.69Å; E701-R732 PolarHBondContact OE2-NH1 3.38Å; E701-F733 HydrophobicContact CB-CE1 4.46Å
702	I	96.1	Very high	93.7	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-63.2	-47.2	174.5	-66.7	166	0	0	0	110.4	R698 A704 A705 I706 V725 L729 F733 P735 V739 I740 R743	R698-I702 WeakPolarHBondContact O-CB 3.27Å; R698-I702 VanDerWaalsContact O-CG1 3.23Å; R698-I702 WeakPolarHBondContact O-CG1 3.2Å; R698-I702 PolarHBondContact O-N 3.38Å; I702-A704 PolarHBondContact O-N 2.95Å; I702-A705 PolarHBondContact O-N 2.84Å; I702-I706 HydrophobicContact CG2-CD1 3.69Å; I702-I706 HydrophobicContact CG2-CG1 4.35Å; I702-I706 VanDerWaalsContact O-CG1 3.27Å; I702-I706 WeakPolarHBondContact O-CG1 3.2Å; I702-I706 PolarHBondContact O-N 3.35Å; I702-V725 HydrophobicContact CG2-CG1 4.4Å; I702-L729 HydrophobicContact CB-CD1 4.35Å; I702-L729 HydrophobicContact CG1-CD1 3.67Å; I702-F733 HydrophobicContact CD1-CE2 4.14Å; I702-F733 HydrophobicContact CD1-CZ 4.31Å; I702-F733 HydrophobicContact CG1-CE2 4.2Å; I702-F733 HydrophobicContact CG1-CZ 3.95Å; I702-P735 HydrophobicContact CD1-CB 4.12Å; I702-P735 HydrophobicContact CG1-CB 4.37Å; I702-V739 HydrophobicContact CD1-CG1 3.68Å; I702-I740 HydrophobicContact CG2-CG1 4.22Å; I702-R743 HydrophobicContact CB-CG 4.16Å; I702-R743 HydrophobicContact CG2-CB 3.86Å; I702-R743 HydrophobicContact CG2-CG 3.74Å
703	E	95.4	Very high	93.9	Very high	22 Å²	22	52.5 Å²	52.5	10%	0.103	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-45.7	177.8	-72.9	174.6	-165	0	0	111.7	K699 H700 A705 I706 V707 R743 L747 R750	K699-E703 VanDerWaalsContact O-CG 3.31Å; K699-E703 WeakPolarHBondContact O-CG 3.37Å; K699-E703 PolarHBondContact O-N 3.37Å; K699-E703 VanDerWaalsContact O-N 3.08Å; H700-E703 PolarHBondContact O-N 2.9Å; E703-A705 VanDerWaalsContact C-N 3.33Å; E703-A705 PolarHBondContact O-N 3.06Å; E703-I706 PolarHBondContact O-N 3.46Å; E703-V707 WeakPolarHBondContact O-CG2 3.44Å; E703-V707 PolarHBondContact O-N 2.7Å; E703-R743 HydrophobicContact CG-CB 4.06Å; E703-R743 HydrophobicContact CG-CG 4.23Å; E703-R743 VanDerWaalsContact OE1-CD 3.25Å; E703-R743 WeakPolarHBondContact OE1-CD 3.49Å; E703-R743 IonicContact OE1-CZ 3.34Å; E703-R743 IonicContact OE1-NE 2.69Å; E703-R743 IonicContact OE1-NH1 3.63Å; E703-R743 PolarHBondContact OE1-NH1 3.26Å; E703-L747 HydrophobicContact CB-CD1 4.43Å; E703-L747 HydrophobicContact CG-CD1 4.42Å; E703-L747 HydrophobicContact CG-CG 4.4Å; E703-R750 IonicContact OE1-NH2 2.68Å; E703-R750 PolarHBondContact OE1-NH2 3.46Å; E703-R750 IonicContact OE2-CZ 3.62Å; E703-R750 IonicContact OE2-NH1 3.82Å; E703-R750 PolarHBondContact OE2-NH1 3.17Å; E703-R750 VanDerWaalsContact OE2-NH1 3.1Å; E703-R750 IonicContact OE2-NH2 2.71Å; E703-R750 PolarHBondContact OE2-NH2 3.46Å
704	A	94.1	Very high	94.2	Very high	39 Å²	39	55.6 Å²	55.6	32%	0.322	27%	0.268	S	S	.	.	H	α-helix	trans	-62.8	-38.7	177.2	0	0	0	0	0	112.3	H700 E701 I702 R708	H700-A704 WeakPolarHBondContact O-CB 3.49Å; H700-A704 PolarHBondContact O-N 2.9Å; E701-A704 PolarHBondContact O-N 3.04Å; I702-A704 PolarHBondContact O-N 2.95Å; A704-R708 WeakPolarHBondContact O-CB 3.38Å; A704-R708 VanDerWaalsContact O-CG 3.32Å; A704-R708 WeakPolarHBondContact O-CG 3.31Å; A704-R708 PolarHBondContact O-N 3.37Å
705	A	95.4	Very high	94.3	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64	-48.9	174.9	0	0	0	0	0	111.6	E701 I702 E703 V707 R708 I709 V725 L729	E701-A705 WeakPolarHBondContact O-CB 3.48Å; E701-A705 PolarHBondContact O-N 3.29Å; I702-A705 PolarHBondContact O-N 2.84Å; E703-A705 VanDerWaalsContact C-N 3.33Å; E703-A705 PolarHBondContact O-N 3.06Å; A705-V707 VanDerWaalsContact C-N 3.35Å; A705-V707 PolarHBondContact O-N 3.15Å; A705-R708 PolarHBondContact O-N 3.3Å; A705-I709 WeakPolarHBondContact O-CG1 3.45Å; A705-I709 PolarHBondContact O-N 3.46Å; A705-V725 HydrophobicContact CB-CG1 4.47Å; A705-L729 HydrophobicContact CB-CD1 4.23Å; A705-L729 HydrophobicContact CB-CD2 4.17Å; A705-L729 HydrophobicContact CB-CG 4.22Å
706	I	96.5	Very high	94.6	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-55.7	-50.2	176.6	-67.5	161.5	0	0	0	110.5	I702 E703 R708 I709 M710 L721 V725 I740 R743 I744 L747 L753	I702-I706 HydrophobicContact CG2-CD1 3.69Å; I702-I706 HydrophobicContact CG2-CG1 4.35Å; I702-I706 VanDerWaalsContact O-CG1 3.27Å; I702-I706 WeakPolarHBondContact O-CG1 3.2Å; I702-I706 PolarHBondContact O-N 3.35Å; E703-I706 PolarHBondContact O-N 3.46Å; I706-R708 PolarHBondContact O-N 3.35Å; I706-I709 PolarHBondContact O-N 2.89Å; I706-M710 HydrophobicContact CG2-CG 4.29Å; I706-M710 WeakPolarHBondContact O-CB 3.45Å; I706-M710 WeakPolarHBondContact O-CG 3.11Å; I706-M710 PolarHBondContact O-N 3.32Å; I706-L721 HydrophobicContact CG2-CD2 4.4Å; I706-V725 HydrophobicContact CG1-CG1 4.43Å; I706-V725 HydrophobicContact CG1-CG2 3.68Å; I706-I740 HydrophobicContact CD1-CG2 4.32Å; I706-R743 HydrophobicContact CD1-CB 3.87Å; I706-I744 HydrophobicContact CD1-CG1 3.83Å; I706-I744 HydrophobicContact CG1-CG1 4.47Å; I706-I744 HydrophobicContact CG2-CG1 4.44Å; I706-L747 HydrophobicContact CB-CD1 3.81Å; I706-L747 HydrophobicContact CD1-CD1 4.08Å; I706-L747 HydrophobicContact CG2-CD1 3.52Å; I706-L753 HydrophobicContact CG2-CD1 3.73Å
707	V	96.2	Very high	94.9	Very high	30 Å²	30	60.8 Å²	60.8	18%	0.182	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-43.6	-179	170.6	0	0	0	0	111.2	E703 A705 I709 M710 K711 L747 Y752 Y765	E703-V707 WeakPolarHBondContact O-CG2 3.44Å; E703-V707 PolarHBondContact O-N 2.7Å; A705-V707 VanDerWaalsContact C-N 3.35Å; A705-V707 PolarHBondContact O-N 3.15Å; V707-I709 PolarHBondContact O-N 3.4Å; V707-M710 PolarHBondContact O-N 3.07Å; V707-K711 WeakPolarHBondContact O-CB 3.29Å; V707-K711 PolarHBondContact O-N 3.38Å; V707-L747 HydrophobicContact CG2-CD1 4.05Å; V707-L747 HydrophobicContact CG2-CD2 3.8Å; V707-Y752 HydrophobicContact CG2-CD1 4.26Å; V707-Y765 HydrophobicContact CG1-CE2 4.16Å
708	R	95.3	Very high	95.1	Very high	128 Å²	128	59.1 Å²	59.1	48%	0.483	28%	0.276	S	S	.	.	H	α-helix	trans	-60.4	-45.9	177.1	-77.2	-171.6	-58.1	-103.1	0.9	112.3	A704 A705 I706 S712	A704-R708 WeakPolarHBondContact O-CB 3.38Å; A704-R708 VanDerWaalsContact O-CG 3.32Å; A704-R708 WeakPolarHBondContact O-CG 3.31Å; A704-R708 PolarHBondContact O-N 3.37Å; A705-R708 PolarHBondContact O-N 3.3Å; I706-R708 PolarHBondContact O-N 3.35Å; R708-S712 PolarHBondContact O-N 3.46Å
709	I	96.1	Very high	95.2	Very high	16 Å²	16	63.3 Å²	63.3	8%	0.082	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-52.8	178.9	-69.5	163.6	0	0	0	110	A705 I706 V707 K711 S712 R713 M716 L721 E724 V725	A705-I709 WeakPolarHBondContact O-CG1 3.45Å; A705-I709 PolarHBondContact O-N 3.46Å; I706-I709 PolarHBondContact O-N 2.89Å; V707-I709 PolarHBondContact O-N 3.4Å; I709-K711 PolarHBondContact O-N 3.45Å; I709-S712 PolarHBondContact O-N 3.06Å; I709-R713 HydrophobicContact CG2-CG 4.33Å; I709-R713 WeakPolarHBondContact O-CB 3.44Å; I709-R713 WeakPolarHBondContact O-CG 3.37Å; I709-R713 PolarHBondContact O-N 3.44Å; I709-M716 HydrophobicContact CG2-CE 3.85Å; I709-M716 HydrophobicContact CG2-SD 3.95Å; I709-L721 HydrophobicContact CB-CD1 4.27Å; I709-L721 HydrophobicContact CG2-CD1 3.74Å; I709-E724 HydrophobicContact CD1-CB 3.99Å; I709-E724 VanDerWaalsContact CG2-OE2 3.28Å; I709-E724 WeakPolarHBondContact CG2-OE2 3.11Å; I709-V725 HydrophobicContact CD1-CB 4.35Å; I709-V725 HydrophobicContact CD1-CG2 3.62Å
710	M	96.7	Very high	95.3	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.4	-35.5	-176.6	-73.6	-58.9	-59.6	0	0	112.6	I706 V707 S712 R713 K714 M716 L721 L753 Y763 Y765	I706-M710 HydrophobicContact CG2-CG 4.29Å; I706-M710 WeakPolarHBondContact O-CB 3.45Å; I706-M710 WeakPolarHBondContact O-CG 3.11Å; I706-M710 PolarHBondContact O-N 3.32Å; V707-M710 PolarHBondContact O-N 3.07Å; M710-S712 VanDerWaalsContact C-N 3.29Å; M710-S712 PolarHBondContact O-N 3.3Å; M710-R713 PolarHBondContact O-N 3.3Å; M710-K714 VanDerWaalsContact O-CA 3.25Å; M710-K714 WeakPolarHBondContact O-CA 3.35Å; M710-K714 PolarHBondContact O-N 2.63Å; M710-M716 HydrophobicContact CE-CB 4.45Å; M710-M716 HydrophobicContact SD-CB 3.71Å; M710-L721 HydrophobicContact CG-CD1 4.05Å; M710-L721 HydrophobicContact CG-CD2 4.18Å; M710-L721 HydrophobicContact SD-CD1 4.08Å; M710-L721 HydrophobicContact SD-CD2 4.03Å; M710-L753 HydrophobicContact CB-CD2 3.59Å; M710-L753 HydrophobicContact CE-CD2 3.99Å; M710-L753 HydrophobicContact CG-CD1 4.46Å; M710-L753 HydrophobicContact CG-CD2 3.6Å; M710-Y763 WeakPolarHBondContact CE-O 3.42Å; M710-Y765 HydrophobicContact CB-CD2 3.91Å; M710-Y765 HydrophobicContact CB-CG 4.38Å; M710-Y765 WeakPolarHBondContact O-CB 3.47Å
711	K	95.4	Very high	95.4	Very high	123 Å²	123	57.1 Å²	57.1	54%	0.535	28%	0.277	S	S	.	.	H	α-helix	trans	-61.4	-37.8	174.8	-176.7	173.5	-176.5	174.7	0	112.4	V707 I709 K714 Y765	V707-K711 WeakPolarHBondContact O-CB 3.29Å; V707-K711 PolarHBondContact O-N 3.38Å; I709-K711 PolarHBondContact O-N 3.45Å; K711-K714 WeakPolarHBondContact O-CD 3.46Å; K711-K714 WeakPolarHBondContact O-CE 3.28Å; K711-K714 PolarHBondContact O-NZ 2.83Å; K711-K714 VanDerWaalsContact O-NZ 3.12Å; K711-Y765 HydrophobicContact CB-CD1 4.34Å; K711-Y765 HydrophobicContact CB-CD2 4.45Å; K711-Y765 HydrophobicContact CB-CE1 3.93Å; K711-Y765 HydrophobicContact CB-CE2 4.1Å; K711-Y765 HydrophobicContact CG-CE1 3.84Å
712	S	94.9	Very high	95.6	Very high	96 Å²	96	55.8 Å²	55.8	67%	0.671	27%	0.272	S	S	*	.	H	α-helix	trans	-76.9	-46	178.2	175.1	0	0	0	0	112.3	R708 I709 M710	R708-S712 PolarHBondContact O-N 3.46Å; I709-S712 PolarHBondContact O-N 3.06Å; M710-S712 VanDerWaalsContact C-N 3.29Å; M710-S712 PolarHBondContact O-N 3.3Å
713	R	94.6	Very high	95.6	Very high	144 Å²	144	58.5 Å²	58.5	54%	0.543	30%	0.295	S	S	.	.	H	α-helix	trans	-88.4	-19.9	-170.8	-61.6	-75.8	-153.2	177.7	8.5	113.9	I709 M710 K715 M716 E724	I709-R713 HydrophobicContact CG2-CG 4.33Å; I709-R713 WeakPolarHBondContact O-CB 3.44Å; I709-R713 WeakPolarHBondContact O-CG 3.37Å; I709-R713 PolarHBondContact O-N 3.44Å; M710-R713 PolarHBondContact O-N 3.3Å; R713-K715 PolarHBondContact O-N 2.92Å; R713-M716 HydrophobicContact CB-CE 3.74Å; R713-M716 HydrophobicContact CG-CE 3.5Å; R713-M716 VanDerWaalsContact CG-CE 3.5Å; R713-E724 IonicContact CZ-OE1 2.71Å; R713-E724 IonicContact NE-OE1 3.89Å; R713-E724 IonicContact NE-OE2 3.92Å; R713-E724 IonicContact NH2-OE1 2.91Å; R713-E724 PolarHBondContact NH2-OE1 3.19Å
714	K	94.1	Very high	95.6	Very high	115 Å²	115	60 Å²	60	50%	0.5	30%	0.302	S	S	.	.	S	Bend	trans	63.1	-40.5	-179	-56.2	-59.4	-172.6	-175.6	0	116.1	M710 K711 T764 Y765	M710-K714 VanDerWaalsContact O-CA 3.25Å; M710-K714 WeakPolarHBondContact O-CA 3.35Å; M710-K714 PolarHBondContact O-N 2.63Å; K711-K714 WeakPolarHBondContact O-CD 3.46Å; K711-K714 WeakPolarHBondContact O-CE 3.28Å; K711-K714 PolarHBondContact O-NZ 2.83Å; K711-K714 VanDerWaalsContact O-NZ 3.12Å; K714-T764 CarbonylContact O-C 3.19Å; K714-T764 VanDerWaalsContact O-CA 3.3Å; K714-T764 WeakPolarHBondContact O-CA 3.43Å; K714-Y765 HydrophobicContact CD-CD1 4.44Å; K714-Y765 PolarHBondContact O-N 2.94Å
715	K	95	Very high	95.7	Very high	122 Å²	122	58.1 Å²	58.1	53%	0.53	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	132.9	179.4	-174.9	172.6	177.8	167.3	0	110	R713 V762 Y763 T764	R713-K715 PolarHBondContact O-N 2.92Å; K715-V762 HydrophobicContact CD-CG1 4.2Å; K715-V762 VanDerWaalsContact CE-CG1 3.47Å; K715-V762 HydrophobicContact CG-CG1 3.64Å; K715-Y763 CarbonylContact C-O 3.57Å; K715-Y763 VanDerWaalsContact CA-O 3.29Å; K715-Y763 WeakPolarHBondContact CA-O 3.41Å; K715-T764 HydrophobicContact CB-CG2 4.29Å; K715-T764 HydrophobicContact CD-CG2 4.32Å; K715-T764 HydrophobicContact CG-CG2 4.05Å
716	M	95.6	Very high	95.6	Very high	15 Å²	15	59.6 Å²	59.6	7%	0.074	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	145.3	-178.5	-166.2	170.3	-79.7	0	0	112.9	I709 M710 R713 V720 L721 E724 Y763	I709-M716 HydrophobicContact CG2-CE 3.85Å; I709-M716 HydrophobicContact CG2-SD 3.95Å; M710-M716 HydrophobicContact CE-CB 4.45Å; M710-M716 HydrophobicContact SD-CB 3.71Å; R713-M716 HydrophobicContact CB-CE 3.74Å; R713-M716 HydrophobicContact CG-CE 3.5Å; R713-M716 VanDerWaalsContact CG-CE 3.5Å; M716-V720 HydrophobicContact CE-CG1 4.46Å; M716-V720 HydrophobicContact CG-CB 4.06Å; M716-V720 HydrophobicContact CG-CG1 4.05Å; M716-V720 HydrophobicContact SD-CB 4.45Å; M716-V720 HydrophobicContact SD-CG1 4.05Å; M716-L721 HydrophobicContact CG-CB 4.03Å; M716-L721 WeakPolarHBondContact SD-CA 3.42Å; M716-L721 HydrophobicContact SD-CB 3.69Å; M716-L721 HydrophobicContact SD-CD1 3.87Å; M716-L721 HydrophobicContact SD-CG 4.38Å; M716-E724 WeakPolarHBondContact CE-OE2 3.43Å; M716-Y763 PolarHBondContact N-O 2.93Å; M716-Y763 PolarHBondContact O-N 3.25Å
717	Q	96.9	Very high	95.5	Very high	88 Å²	88	65.7 Å²	65.7	41%	0.411	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	146.6	173	-163.5	-165.6	31.2	0	0	111.2	N719 V720 L721 K761	Q717-N719 PolarHBondContact O-N 3.37Å; Q717-V720 HydrophobicContact CB-CB 4.49Å; Q717-V720 HydrophobicContact CB-CG2 4.19Å; Q717-V720 PolarHBondContact O-N 2.84Å; Q717-V720 VanDerWaalsContact O-N 3.16Å; Q717-L721 PolarHBondContact O-N 2.84Å; Q717-K761 CarbonylContact C-O 3.3Å; Q717-K761 WeakPolarHBondContact CA-O 3.49Å
718	H	95.3	Very high	95.2	Very high	37 Å²	37	68.1 Å²	68.1	17%	0.171	33%	0.333	C	S	.	.	H	α-helix	trans	-50.1	-53	-178.7	-179.7	84	0	0	0	113.9	V720 L721 V722 K761 Y763	H718-V720 VanDerWaalsContact C-N 3.3Å; H718-V720 PolarHBondContact O-N 3.39Å; H718-L721 PolarHBondContact O-N 3.03Å; H718-V722 WeakPolarHBondContact O-CG2 3.33Å; H718-V722 PolarHBondContact O-N 3.48Å; H718-K761 PolarHBondContact N-O 3.38Å; H718-Y763 HydrophobicContact CB-CE2 3.68Å; H718-Y763 AromaticContact CG-CE2 3.99Å; H718-Y763 AromaticContact ND1-CE2 3.48Å; H718-Y763 WeakPolarHBondContact ND1-CE2 3.44Å; H718-Y763 AromaticContact ND1-CZ 3.66Å; H718-Y763 PolarHBondContact ND1-OH 3.02Å
719	N	95.6	Very high	95.1	Very high	115 Å²	115	62.5 Å²	62.5	62%	0.615	31%	0.313	S	S	*	.	H	α-helix	trans	-63.7	-37.8	-177.1	-68.9	-11.4	0	0	0	112	Q717 A723	Q717-N719 PolarHBondContact O-N 3.37Å; N719-A723 WeakPolarHBondContact O-CB 3.46Å; N719-A723 PolarHBondContact O-N 3.34Å
720	V	95.8	Very high	94.7	Very high	64 Å²	64	68.6 Å²	68.6	39%	0.388	34%	0.335	S	S	.	.	H	α-helix	trans	-68	-43.2	177	-177.8	0	0	0	0	110.5	M716 Q717 H718 A723 E724	M716-V720 HydrophobicContact CE-CG1 4.46Å; M716-V720 HydrophobicContact CG-CB 4.06Å; M716-V720 HydrophobicContact CG-CG1 4.05Å; M716-V720 HydrophobicContact SD-CB 4.45Å; M716-V720 HydrophobicContact SD-CG1 4.05Å; Q717-V720 HydrophobicContact CB-CB 4.49Å; Q717-V720 HydrophobicContact CB-CG2 4.19Å; Q717-V720 PolarHBondContact O-N 2.84Å; Q717-V720 VanDerWaalsContact O-N 3.16Å; H718-V720 VanDerWaalsContact C-N 3.3Å; H718-V720 PolarHBondContact O-N 3.39Å; V720-A723 PolarHBondContact O-N 2.91Å; V720-E724 PolarHBondContact O-N 3.42Å
721	L	95.9	Very high	94.2	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62.9	-45.4	176.7	179.6	59.7	0	0	0	111.7	I706 I709 M710 M716 Q717 H718 A723 E724 V725 I744 Y763	I706-L721 HydrophobicContact CG2-CD2 4.4Å; I709-L721 HydrophobicContact CB-CD1 4.27Å; I709-L721 HydrophobicContact CG2-CD1 3.74Å; M710-L721 HydrophobicContact CG-CD1 4.05Å; M710-L721 HydrophobicContact CG-CD2 4.18Å; M710-L721 HydrophobicContact SD-CD1 4.08Å; M710-L721 HydrophobicContact SD-CD2 4.03Å; M716-L721 HydrophobicContact CG-CB 4.03Å; M716-L721 WeakPolarHBondContact SD-CA 3.42Å; M716-L721 HydrophobicContact SD-CB 3.69Å; M716-L721 HydrophobicContact SD-CD1 3.87Å; M716-L721 HydrophobicContact SD-CG 4.38Å; Q717-L721 PolarHBondContact O-N 2.84Å; H718-L721 PolarHBondContact O-N 3.03Å; L721-A723 VanDerWaalsContact C-N 3.3Å; L721-A723 PolarHBondContact O-N 3.42Å; L721-E724 PolarHBondContact O-N 3.39Å; L721-V725 HydrophobicContact CD1-CG2 3.93Å; L721-V725 HydrophobicContact CG-CG2 4.32Å; L721-V725 WeakPolarHBondContact O-CB 3.17Å; L721-V725 WeakPolarHBondContact O-CG2 3.43Å; L721-V725 PolarHBondContact O-N 2.95Å; L721-I744 HydrophobicContact CD2-CD1 3.79Å; L721-I744 HydrophobicContact CD2-CG1 4.28Å; L721-I744 HydrophobicContact CG-CD1 4.43Å; L721-Y763 HydrophobicContact CD2-CD2 3.9Å; L721-Y763 HydrophobicContact CD2-CE2 4.39Å
722	V	96.4	Very high	93.9	Very high	16 Å²	16	68 Å²	68	10%	0.097	34%	0.338	C	S	.	.	H	α-helix	trans	-59.5	-43.3	176	171	0	0	0	0	110.6	H718 T726 P737 I740	H718-V722 WeakPolarHBondContact O-CG2 3.33Å; H718-V722 PolarHBondContact O-N 3.48Å; V722-T726 WeakPolarHBondContact O-CB 3.3Å; V722-T726 PolarHBondContact O-N 3.47Å; V722-T726 PolarHBondContact O-OG1 3.37Å; V722-P737 HydrophobicContact CG1-CB 4.12Å; V722-P737 HydrophobicContact CG1-CG 4.42Å; V722-I740 HydrophobicContact CG1-CD1 4.1Å; V722-I740 HydrophobicContact CG2-CG2 4.03Å
723	A	95.8	Very high	93.8	Very high	58 Å²	58	63.7 Å²	63.7	48%	0.479	31%	0.307	S	S	.	.	H	α-helix	trans	-65	-46.6	177.2	0	0	0	0	0	112.5	N719 V720 L721 T726 Q727	N719-A723 WeakPolarHBondContact O-CB 3.46Å; N719-A723 PolarHBondContact O-N 3.34Å; V720-A723 PolarHBondContact O-N 2.91Å; L721-A723 VanDerWaalsContact C-N 3.3Å; L721-A723 PolarHBondContact O-N 3.42Å; A723-T726 PolarHBondContact O-N 2.74Å; A723-Q727 WeakPolarHBondContact O-CB 3.49Å; A723-Q727 PolarHBondContact O-N 2.8Å
724	E	95.7	Very high	93.6	Very high	53 Å²	53	61.5 Å²	61.5	25%	0.248	31%	0.306	C	S	.	.	H	α-helix	trans	-63.6	-42.7	177.9	-75.4	-160.3	-179.2	0	0	111.9	I709 R713 M716 V720 L721 Q727 Q728	I709-E724 HydrophobicContact CD1-CB 3.99Å; I709-E724 VanDerWaalsContact CG2-OE2 3.28Å; I709-E724 WeakPolarHBondContact CG2-OE2 3.11Å; R713-E724 IonicContact CZ-OE1 2.71Å; R713-E724 IonicContact NE-OE1 3.89Å; R713-E724 IonicContact NE-OE2 3.92Å; R713-E724 IonicContact NH2-OE1 2.91Å; R713-E724 PolarHBondContact NH2-OE1 3.19Å; M716-E724 WeakPolarHBondContact CE-OE2 3.43Å; V720-E724 PolarHBondContact O-N 3.42Å; L721-E724 PolarHBondContact O-N 3.39Å; E724-Q727 PolarHBondContact O-N 3.45Å; E724-Q728 WeakPolarHBondContact O-CB 3.23Å; E724-Q728 PolarHBondContact O-N 3.24Å
725	V	96	Very high	93.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.2	-45	175.9	171.5	0	0	0	0	110.8	I702 A705 I706 I709 L721 Q727 Q728 L729 I740	I702-V725 HydrophobicContact CG2-CG1 4.4Å; A705-V725 HydrophobicContact CB-CG1 4.47Å; I706-V725 HydrophobicContact CG1-CG1 4.43Å; I706-V725 HydrophobicContact CG1-CG2 3.68Å; I709-V725 HydrophobicContact CD1-CB 4.35Å; I709-V725 HydrophobicContact CD1-CG2 3.62Å; L721-V725 HydrophobicContact CD1-CG2 3.93Å; L721-V725 HydrophobicContact CG-CG2 4.32Å; L721-V725 WeakPolarHBondContact O-CB 3.17Å; L721-V725 WeakPolarHBondContact O-CG2 3.43Å; L721-V725 PolarHBondContact O-N 2.95Å; V725-Q727 VanDerWaalsContact C-N 3.34Å; V725-Q727 PolarHBondContact O-N 3.13Å; V725-Q728 PolarHBondContact O-N 2.97Å; V725-L729 HydrophobicContact CG1-CD1 3.92Å; V725-L729 WeakPolarHBondContact O-CG 3.26Å; V725-L729 PolarHBondContact O-N 3.47Å; V725-L729 VanDerWaalsContact O-N 3.08Å; V725-I740 HydrophobicContact CB-CD1 4.28Å; V725-I740 HydrophobicContact CG1-CD1 3.87Å; V725-I740 HydrophobicContact CG1-CG1 4.07Å; V725-I740 HydrophobicContact CG1-CG2 4.33Å
726	T	94.5	Very high	93.4	Very high	32 Å²	32	53.2 Å²	53.2	20%	0.196	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-45.3	177.7	-56.9	0	0	0	0	110.8	V722 A723 Q728 L729 R730 L734 P735	V722-T726 WeakPolarHBondContact O-CB 3.3Å; V722-T726 PolarHBondContact O-N 3.47Å; V722-T726 PolarHBondContact O-OG1 3.37Å; A723-T726 PolarHBondContact O-N 2.74Å; T726-Q728 PolarHBondContact O-N 2.84Å; T726-L729 PolarHBondContact O-N 3.4Å; T726-R730 WeakPolarHBondContact O-CB 3.15Å; T726-R730 PolarHBondContact O-N 3.37Å; T726-L734 HydrophobicContact CG2-CD1 3.69Å; T726-P735 HydrophobicContact CG2-CG 4.36Å
727	Q	92.9	Very high	93.3	Very high	127 Å²	127	56.3 Å²	56.3	59%	0.593	30%	0.299	S	S	*	.	H	α-helix	trans	-64.6	-39.6	178.6	-177.6	58.7	31.8	0	0	112.2	A723 E724 V725	A723-Q727 WeakPolarHBondContact O-CB 3.49Å; A723-Q727 PolarHBondContact O-N 2.8Å; E724-Q727 PolarHBondContact O-N 3.45Å; V725-Q727 VanDerWaalsContact C-N 3.34Å; V725-Q727 PolarHBondContact O-N 3.13Å
728	Q	91.4	Very high	93.2	Very high	82 Å²	82	57.4 Å²	57.4	38%	0.383	31%	0.311	S	S	.	.	H	α-helix	trans	-67.4	-34.7	178.7	-172.1	175.2	24.9	0	0	112.6	E724 V725 T726	E724-Q728 WeakPolarHBondContact O-CB 3.23Å; E724-Q728 PolarHBondContact O-N 3.24Å; V725-Q728 PolarHBondContact O-N 2.97Å; T726-Q728 PolarHBondContact O-N 2.84Å
729	L	91.8	Very high	93.1	Very high	9 Å²	9	58.5 Å²	58.5	5%	0.047	32%	0.32	C	S	.	.	H	α-helix	trans	-91.9	-13.6	-176.9	-65.7	175.4	0	0	0	114.1	I702 A705 V725 T726 S731 R732 F733 P735	I702-L729 HydrophobicContact CB-CD1 4.35Å; I702-L729 HydrophobicContact CG1-CD1 3.67Å; A705-L729 HydrophobicContact CB-CD1 4.23Å; A705-L729 HydrophobicContact CB-CD2 4.17Å; A705-L729 HydrophobicContact CB-CG 4.22Å; V725-L729 HydrophobicContact CG1-CD1 3.92Å; V725-L729 WeakPolarHBondContact O-CG 3.26Å; V725-L729 PolarHBondContact O-N 3.47Å; V725-L729 VanDerWaalsContact O-N 3.08Å; T726-L729 PolarHBondContact O-N 3.4Å; L729-S731 PolarHBondContact O-N 3.46Å; L729-R732 PolarHBondContact O-N 3.49Å; L729-F733 CarbonylContact C-O 3.51Å; L729-F733 VanDerWaalsContact C-O 3.29Å; L729-F733 HydrophobicContact CD1-CE2 4.48Å; L729-F733 HydrophobicContact CD1-CZ 3.97Å; L729-F733 HydrophobicContact CD2-CE1 4.47Å; L729-F733 PolarHBondContact O-N 3.15Å; L729-P735 HydrophobicContact CB-CG 4.23Å; L729-P735 HydrophobicContact CD1-CB 4.49Å; L729-P735 HydrophobicContact CD1-CG 4.15Å
730	R	88.8	Confident	93.1	Very high	145 Å²	145	53 Å²	53	55%	0.547	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-28.5	-176.2	-173.4	176.7	180	-175.3	0.1	114.5	T726 R732	T726-R730 WeakPolarHBondContact O-CB 3.15Å; T726-R730 PolarHBondContact O-N 3.37Å; R730-R732 PolarHBondContact O-N 3.14Å
731	S	86.4	Confident	93	Very high	58 Å²	58	55.3 Å²	55.3	41%	0.406	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-15	176.8	59.1	0	0	0	0	113.7	K424 L729	K424-S731 WeakPolarHBondContact CD-O 3.35Å; L729-S731 PolarHBondContact O-N 3.46Å
732	R	89.3	Confident	93	Very high	53 Å²	53	62.1 Å²	62.1	20%	0.2	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-48.4	-179.7	-60.7	-169	72.3	-164.7	-1.1	113	K424 D425 E428 E701 L729 R730	K424-R732 WeakPolarHBondContact CA-O 3.35Å; K424-R732 WeakPolarHBondContact CB-O 3.46Å; K424-R732 PolarHBondContact N-O 3.3Å; D425-R732 PolarHBondContact N-O 3.34Å; E428-R732 IonicContact OE2-CZ 3.46Å; E428-R732 IonicContact OE2-NH2 2.9Å; E428-R732 PolarHBondContact OE2-NH2 2.89Å; E701-R732 IonicContact OE1-CZ 2.81Å; E701-R732 IonicContact OE1-NH1 3.8Å; E701-R732 PolarHBondContact OE1-NH1 3.21Å; E701-R732 IonicContact OE1-NH2 3.5Å; E701-R732 PolarHBondContact OE1-NH2 3.45Å; E701-R732 IonicContact OE2-CZ 2.74Å; E701-R732 IonicContact OE2-NE 3.67Å; E701-R732 IonicContact OE2-NH1 3.69Å; E701-R732 PolarHBondContact OE2-NH1 3.38Å; L729-R732 PolarHBondContact O-N 3.49Å; R730-R732 PolarHBondContact O-N 3.14Å
733	F	92.6	Very high	93.1	Very high	5 Å²	5	63.6 Å²	63.6	2%	0.022	33%	0.329	C	S	.	.			trans	-157.7	163.9	176.7	65.8	-84.7	0	0	0	111	Q422 D425 R698 E701 I702 L729 P735	Q422-F733 WeakPolarHBondContact O-CA 3.37Å; D425-F733 WeakPolarHBondContact OD2-CD1 3.36Å; R698-F733 HydrophobicContact CB-CE1 4.45Å; R698-F733 HydrophobicContact CB-CE2 4.17Å; R698-F733 HydrophobicContact CB-CZ 3.92Å; R698-F733 HydrophobicContact CG-CD1 4.16Å; R698-F733 HydrophobicContact CG-CD2 4.2Å; R698-F733 HydrophobicContact CG-CE1 3.86Å; R698-F733 HydrophobicContact CG-CE2 3.88Å; R698-F733 HydrophobicContact CG-CG 4.33Å; R698-F733 HydrophobicContact CG-CZ 3.71Å; E701-F733 HydrophobicContact CB-CE1 4.46Å; I702-F733 HydrophobicContact CD1-CE2 4.14Å; I702-F733 HydrophobicContact CD1-CZ 4.31Å; I702-F733 HydrophobicContact CG1-CE2 4.2Å; I702-F733 HydrophobicContact CG1-CZ 3.95Å; L729-F733 CarbonylContact C-O 3.51Å; L729-F733 VanDerWaalsContact C-O 3.29Å; L729-F733 HydrophobicContact CD1-CE2 4.48Å; L729-F733 HydrophobicContact CD1-CZ 3.97Å; L729-F733 HydrophobicContact CD2-CE1 4.47Å; L729-F733 PolarHBondContact O-N 3.15Å; F733-P735 HydrophobicContact CD2-CB 4.36Å; F733-P735 HydrophobicContact CE2-CB 3.85Å; F733-P735 WeakPolarHBondContact O-CD 3.37Å
734	L	90.3	Very high	93.1	Very high	97 Å²	97	60.8 Å²	60.8	51%	0.508	31%	0.306	S	S	.	.			trans	-97.8	100.8	176.3	-169.3	66.3	0	0	0	110.2	T726	T726-L734 HydrophobicContact CG2-CD1 3.69Å
735	P	91.9	Very high	93	Very high	7 Å²	7	60.8 Å²	60.8	5%	0.045	31%	0.306	C	S	.	.			trans	-68.9	136.1	-180	28.3	-36.3	0	0	0	111.6	I702 T726 L729 F733 I740	I702-P735 HydrophobicContact CD1-CB 4.12Å; I702-P735 HydrophobicContact CG1-CB 4.37Å; T726-P735 HydrophobicContact CG2-CG 4.36Å; L729-P735 HydrophobicContact CB-CG 4.23Å; L729-P735 HydrophobicContact CD1-CB 4.49Å; L729-P735 HydrophobicContact CD1-CG 4.15Å; F733-P735 HydrophobicContact CD2-CB 4.36Å; F733-P735 HydrophobicContact CE2-CB 3.85Å; F733-P735 WeakPolarHBondContact O-CD 3.37Å; P735-I740 HydrophobicContact CB-CD1 3.93Å; P735-I740 HydrophobicContact CB-CG1 3.99Å; P735-I740 HydrophobicContact CG-CD1 3.89Å; P735-I740 HydrophobicContact CG-CG1 4.44Å
736	S	91.8	Very high	93	Very high	57 Å²	57	61.4 Å²	61.4	40%	0.399	31%	0.312	S	S	.	.			trans	-69.5	135.7	171.5	168.9	0	0	0	0	110.8	V738 V739 I740	S736-V738 PolarHBondContact O-N 3.34Å; S736-V738 VanDerWaalsContact O-N 3.11Å; S736-V738 PolarHBondContact OG-N 3.32Å; S736-V739 PolarHBondContact O-N 3.35Å; S736-I740 PolarHBondContact O-N 3.01Å; S736-I740 VanDerWaalsContact O-N 3.08Å
737	P	93.6	Very high	93.1	Very high	79 Å²	79	60 Å²	60	51%	0.513	30%	0.303	S	S	.	.	H	α-helix	trans	-52.7	-33.4	174.5	-29	36	0	0	0	113.6	V722 I740 K741	V722-P737 HydrophobicContact CG1-CB 4.12Å; V722-P737 HydrophobicContact CG1-CG 4.42Å; P737-I740 PolarHBondContact O-N 3.11Å; P737-K741 WeakPolarHBondContact O-CB 3.48Å; P737-K741 PolarHBondContact O-N 2.98Å
738	V	94.8	Very high	93.2	Very high	111 Å²	111	55.7 Å²	55.7	67%	0.673	28%	0.284	S	S	*	.	H	α-helix	trans	-65.4	-41.4	177.8	-179.5	0	0	0	0	111.1	S736 K741 K742	S736-V738 PolarHBondContact O-N 3.34Å; S736-V738 VanDerWaalsContact O-N 3.11Å; S736-V738 PolarHBondContact OG-N 3.32Å; V738-K741 PolarHBondContact O-N 3.01Å; V738-K742 PolarHBondContact O-N 3.47Å
739	V	93.8	Very high	93.4	Very high	60 Å²	60	59.4 Å²	59.4	36%	0.364	30%	0.301	S	S	.	.	H	α-helix	trans	-69.1	-43.6	178.8	179.6	0	0	0	0	110.1	I702 S736 K741 K742 R743	I702-V739 HydrophobicContact CD1-CG1 3.68Å; S736-V739 PolarHBondContact O-N 3.35Å; V739-K741 VanDerWaalsContact C-N 3.33Å; V739-K741 PolarHBondContact O-N 3.31Å; V739-K742 PolarHBondContact O-N 3.5Å; V739-R743 WeakPolarHBondContact O-CG 3.4Å; V739-R743 PolarHBondContact O-N 3.47Å
740	I	95.6	Very high	93.5	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-56.9	-48.5	175.4	-63	169.5	0	0	0	110.1	I702 I706 V722 V725 P735 S736 P737 K742 R743 I744	I702-I740 HydrophobicContact CG2-CG1 4.22Å; I706-I740 HydrophobicContact CD1-CG2 4.32Å; V722-I740 HydrophobicContact CG1-CD1 4.1Å; V722-I740 HydrophobicContact CG2-CG2 4.03Å; V725-I740 HydrophobicContact CB-CD1 4.28Å; V725-I740 HydrophobicContact CG1-CD1 3.87Å; V725-I740 HydrophobicContact CG1-CG1 4.07Å; V725-I740 HydrophobicContact CG1-CG2 4.33Å; P735-I740 HydrophobicContact CB-CD1 3.93Å; P735-I740 HydrophobicContact CB-CG1 3.99Å; P735-I740 HydrophobicContact CG-CD1 3.89Å; P735-I740 HydrophobicContact CG-CG1 4.44Å; S736-I740 PolarHBondContact O-N 3.01Å; S736-I740 VanDerWaalsContact O-N 3.08Å; P737-I740 PolarHBondContact O-N 3.11Å; I740-K742 VanDerWaalsContact C-N 3.35Å; I740-K742 PolarHBondContact O-N 3Å; I740-R743 PolarHBondContact O-N 2.87Å; I740-I744 HydrophobicContact CG2-CD1 3.97Å; I740-I744 HydrophobicContact CG2-CG1 4.41Å; I740-I744 WeakPolarHBondContact O-CG1 3.45Å; I740-I744 PolarHBondContact O-N 3.16Å
741	K	94.8	Very high	93.7	Very high	112 Å²	112	65.1 Å²	65.1	49%	0.487	33%	0.329	S	S	.	.	H	α-helix	trans	-55.7	-48.8	176.5	-176.2	-179	177.6	-176	0	111.6	P737 V738 V739 R743 I744 E745	P737-K741 WeakPolarHBondContact O-CB 3.48Å; P737-K741 PolarHBondContact O-N 2.98Å; V738-K741 PolarHBondContact O-N 3.01Å; V739-K741 VanDerWaalsContact C-N 3.33Å; V739-K741 PolarHBondContact O-N 3.31Å; K741-R743 PolarHBondContact O-N 3.39Å; K741-I744 WeakPolarHBondContact O-CB 3.48Å; K741-I744 PolarHBondContact O-N 3.26Å; K741-I744 VanDerWaalsContact O-N 3.13Å; K741-E745 WeakPolarHBondContact O-CG 3.36Å; K741-E745 PolarHBondContact O-N 2.61Å
742	K	95.9	Very high	94.1	Very high	143 Å²	143	67 Å²	67	62%	0.622	33%	0.328	S	S	*	.	H	α-helix	trans	-59.3	-34.3	177.6	-172.6	176.6	-178.4	175.4	0	112.6	V738 V739 I740 G746	V738-K742 PolarHBondContact O-N 3.47Å; V739-K742 PolarHBondContact O-N 3.5Å; I740-K742 VanDerWaalsContact C-N 3.35Å; I740-K742 PolarHBondContact O-N 3Å; K742-G746 PolarHBondContact O-N 2.8Å
743	R	96.4	Very high	94.3	Very high	47 Å²	47	64.6 Å²	64.6	18%	0.177	32%	0.319	C	S	.	.	H	α-helix	trans	-73.7	-36.8	176	-65.8	-59	87.3	-174.2	0.1	112.5	I702 E703 I706 V739 I740 K741 G746 L747	I702-R743 HydrophobicContact CB-CG 4.16Å; I702-R743 HydrophobicContact CG2-CB 3.86Å; I702-R743 HydrophobicContact CG2-CG 3.74Å; E703-R743 HydrophobicContact CG-CB 4.06Å; E703-R743 HydrophobicContact CG-CG 4.23Å; E703-R743 VanDerWaalsContact OE1-CD 3.25Å; E703-R743 WeakPolarHBondContact OE1-CD 3.49Å; E703-R743 IonicContact OE1-CZ 3.34Å; E703-R743 IonicContact OE1-NE 2.69Å; E703-R743 IonicContact OE1-NH1 3.63Å; E703-R743 PolarHBondContact OE1-NH1 3.26Å; I706-R743 HydrophobicContact CD1-CB 3.87Å; V739-R743 WeakPolarHBondContact O-CG 3.4Å; V739-R743 PolarHBondContact O-N 3.47Å; I740-R743 PolarHBondContact O-N 2.87Å; K741-R743 PolarHBondContact O-N 3.39Å; R743-G746 PolarHBondContact O-N 3.44Å; R743-L747 WeakPolarHBondContact O-CG 3.28Å; R743-L747 PolarHBondContact O-N 3.44Å
744	I	96.1	Very high	94.4	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-59.9	-46.8	172.5	-66.6	167.3	0	0	0	110.3	I706 L721 I740 K741 G746 L747 I748 L753 Y763	I706-I744 HydrophobicContact CD1-CG1 3.83Å; I706-I744 HydrophobicContact CG1-CG1 4.47Å; I706-I744 HydrophobicContact CG2-CG1 4.44Å; L721-I744 HydrophobicContact CD2-CD1 3.79Å; L721-I744 HydrophobicContact CD2-CG1 4.28Å; L721-I744 HydrophobicContact CG-CD1 4.43Å; I740-I744 HydrophobicContact CG2-CD1 3.97Å; I740-I744 HydrophobicContact CG2-CG1 4.41Å; I740-I744 WeakPolarHBondContact O-CG1 3.45Å; I740-I744 PolarHBondContact O-N 3.16Å; K741-I744 WeakPolarHBondContact O-CB 3.48Å; K741-I744 PolarHBondContact O-N 3.26Å; K741-I744 VanDerWaalsContact O-N 3.13Å; I744-G746 PolarHBondContact O-N 3.03Å; I744-L747 WeakPolarHBondContact O-CB 3.39Å; I744-L747 PolarHBondContact O-N 3.32Å; I744-I748 HydrophobicContact CG2-CD1 4Å; I744-I748 HydrophobicContact CG2-CG1 4.47Å; I744-I748 WeakPolarHBondContact O-CG1 3.27Å; I744-I748 PolarHBondContact O-N 3.17Å; I744-L753 HydrophobicContact CG2-CD1 4.2Å; I744-Y763 HydrophobicContact CD1-CE2 4.19Å; I744-Y763 HydrophobicContact CG2-CD1 4.22Å; I744-Y763 HydrophobicContact CG2-CE1 3.79Å; I744-Y763 HydrophobicContact CG2-CE2 4.13Å
745	E	95.3	Very high	94.6	Very high	53 Å²	53	66 Å²	66	25%	0.248	33%	0.325	C	S	.	.	H	α-helix	trans	-58.1	-46.6	177.8	-60.7	-55.4	144.2	0	0	111.6	K741 L747 I748 E749 R755	K741-E745 WeakPolarHBondContact O-CG 3.36Å; K741-E745 PolarHBondContact O-N 2.61Å; E745-L747 PolarHBondContact O-N 2.99Å; E745-I748 WeakPolarHBondContact O-CB 3.39Å; E745-I748 PolarHBondContact O-N 3.43Å; E745-E749 WeakPolarHBondContact O-CG 3.39Å; E745-E749 PolarHBondContact O-N 2.93Å; E745-R755 IonicContact OE1-CZ 3.86Å; E745-R755 IonicContact OE1-NH2 3.77Å; E745-R755 PolarHBondContact OE1-NH2 3.36Å; E745-R755 IonicContact OE2-CZ 3.28Å; E745-R755 IonicContact OE2-NH1 2.95Å; E745-R755 IonicContact OE2-NH2 3.85Å; E745-R755 PolarHBondContact OE2-NH2 3.42Å
746	G	95.3	Very high	94.6	Very high	12 Å²	12	66.2 Å²	66.2	12%	0.124	33%	0.326	C	S	.	.	H	α-helix	trans	-66.3	-21.5	176.4	0	0	0	0	0	114.5	K742 R743 I744 R750	K742-G746 PolarHBondContact O-N 2.8Å; R743-G746 PolarHBondContact O-N 3.44Å; I744-G746 PolarHBondContact O-N 3.03Å; G746-R750 WeakPolarHBondContact O-CG 3.44Å; G746-R750 PolarHBondContact O-N 2.98Å; G746-R750 PolarHBondContact O-NE 2.94Å
747	L	96.1	Very high	94.3	Very high	3 Å²	3	69.4 Å²	69.4	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-81.4	-27.4	171.1	-74.6	169.6	0	0	0	112.2	E703 I706 V707 R743 I744 E745 R750 E751 Y752 L753	E703-L747 HydrophobicContact CB-CD1 4.43Å; E703-L747 HydrophobicContact CG-CD1 4.42Å; E703-L747 HydrophobicContact CG-CG 4.4Å; I706-L747 HydrophobicContact CB-CD1 3.81Å; I706-L747 HydrophobicContact CD1-CD1 4.08Å; I706-L747 HydrophobicContact CG2-CD1 3.52Å; V707-L747 HydrophobicContact CG2-CD1 4.05Å; V707-L747 HydrophobicContact CG2-CD2 3.8Å; R743-L747 WeakPolarHBondContact O-CG 3.28Å; R743-L747 PolarHBondContact O-N 3.44Å; I744-L747 WeakPolarHBondContact O-CB 3.39Å; I744-L747 PolarHBondContact O-N 3.32Å; E745-L747 PolarHBondContact O-N 2.99Å; L747-R750 VanDerWaalsContact CD2-NH2 3.35Å; L747-E751 PolarHBondContact O-N 3.17Å; L747-Y752 HydrophobicContact CD2-CD2 4.1Å; L747-Y752 HydrophobicContact CD2-CG 4.08Å; L747-Y752 WeakPolarHBondContact O-CB 3.47Å; L747-Y752 PolarHBondContact O-N 3.34Å; L747-L753 HydrophobicContact CB-CD1 4Å; L747-L753 HydrophobicContact CB-CG 4.21Å; L747-L753 HydrophobicContact CD1-CD1 4.25Å; L747-L753 PolarHBondContact O-N 2.94Å
748	I	95.3	Very high	94.1	Very high	36 Å²	36	72.9 Å²	72.9	19%	0.185	35%	0.354	C	S	.	.	H	α-helix	trans	-70.8	-45.3	171.8	-65.7	166.7	0	0	0	110.1	I744 E745 R750 E751 L753 R755 Y763	I744-I748 HydrophobicContact CG2-CD1 4Å; I744-I748 HydrophobicContact CG2-CG1 4.47Å; I744-I748 WeakPolarHBondContact O-CG1 3.27Å; I744-I748 PolarHBondContact O-N 3.17Å; E745-I748 WeakPolarHBondContact O-CB 3.39Å; E745-I748 PolarHBondContact O-N 3.43Å; I748-R750 PolarHBondContact O-N 2.82Å; I748-E751 PolarHBondContact O-N 3.27Å; I748-L753 WeakPolarHBondContact CA-O 3.49Å; I748-L753 HydrophobicContact CG1-CB 3.88Å; I748-R755 HydrophobicContact CD1-CG 4.29Å; I748-Y763 HydrophobicContact CD1-CD1 4.21Å; I748-Y763 HydrophobicContact CD1-CE1 3.97Å
749	E	95	Very high	93.9	Very high	160 Å²	160	70.6 Å²	70.6	75%	0.748	34%	0.338	S	S	*	.	H	α-helix	trans	-58.9	-31.2	176.3	-71.5	171.6	-176.2	0	0	112.8	E745 E751	E745-E749 WeakPolarHBondContact O-CG 3.39Å; E745-E749 PolarHBondContact O-N 2.93Å; E749-E751 VanDerWaalsContact C-N 3.33Å
750	R	95.4	Very high	93.6	Very high	118 Å²	118	77.5 Å²	77.5	45%	0.445	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	12.9	176.2	-68.6	-179.9	-67.8	172.4	-0.9	113.5	E703 G746 L747 I748 Y752	E703-R750 IonicContact OE1-NH2 2.68Å; E703-R750 PolarHBondContact OE1-NH2 3.46Å; E703-R750 IonicContact OE2-CZ 3.62Å; E703-R750 IonicContact OE2-NH1 3.82Å; E703-R750 PolarHBondContact OE2-NH1 3.17Å; E703-R750 VanDerWaalsContact OE2-NH1 3.1Å; E703-R750 IonicContact OE2-NH2 2.71Å; E703-R750 PolarHBondContact OE2-NH2 3.46Å; G746-R750 WeakPolarHBondContact O-CG 3.44Å; G746-R750 PolarHBondContact O-N 2.98Å; G746-R750 PolarHBondContact O-NE 2.94Å; L747-R750 VanDerWaalsContact CD2-NH2 3.35Å; I748-R750 PolarHBondContact O-N 2.82Å; R750-Y752 HydrophobicContact CB-CD2 3.82Å; R750-Y752 HydrophobicContact CB-CE2 4.12Å; R750-Y752 WeakPolarHBondContact O-CD2 3.4Å; R750-Y752 PolarHBondContact O-N 3.47Å; R750-Y752 VanDerWaalsContact O-N 3.16Å
751	E	93.1	Very high	93.5	Very high	156 Å²	156	84 Å²	84	73%	0.729	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	29.9	175.6	-53.3	-176	159.1	0	0	114.6	L747 I748 E749 V766	L747-E751 PolarHBondContact O-N 3.17Å; I748-E751 PolarHBondContact O-N 3.27Å; E749-E751 VanDerWaalsContact C-N 3.33Å; E751-V766 WeakPolarHBondContact O-CG2 3.36Å
752	Y	92.9	Very high	93.4	Very high	97 Å²	97	79.7 Å²	79.7	38%	0.38	37%	0.369	S	S	.	.	S	Bend	trans	-86.2	-29.3	169	-78.3	-91	0	0	0	112.2	V707 L747 R750 Y765 V766 A767	V707-Y752 HydrophobicContact CG2-CD1 4.26Å; L747-Y752 HydrophobicContact CD2-CD2 4.1Å; L747-Y752 HydrophobicContact CD2-CG 4.08Å; L747-Y752 WeakPolarHBondContact O-CB 3.47Å; L747-Y752 PolarHBondContact O-N 3.34Å; R750-Y752 HydrophobicContact CB-CD2 3.82Å; R750-Y752 HydrophobicContact CB-CE2 4.12Å; R750-Y752 WeakPolarHBondContact O-CD2 3.4Å; R750-Y752 PolarHBondContact O-N 3.47Å; R750-Y752 VanDerWaalsContact O-N 3.16Å; Y752-Y765 WeakPolarHBondContact O-CD2 3.33Å; Y752-V766 WeakPolarHBondContact O-CG2 3.39Å; Y752-V766 PolarHBondContact O-N 2.89Å; Y752-V766 VanDerWaalsContact O-N 3.17Å; Y752-A767 HydrophobicContact CD1-CB 3.9Å; Y752-A767 HydrophobicContact CE1-CB 4.38Å; Y752-A767 HydrophobicContact CG-CB 4.49Å
753	L	95.2	Very high	93.4	Very high	3 Å²	3	73.2 Å²	73.2	2%	0.016	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	152.7	-179.9	-59	177.3	0	0	0	110.5	I706 M710 I744 L747 I748 T764 Y765	I706-L753 HydrophobicContact CG2-CD1 3.73Å; M710-L753 HydrophobicContact CB-CD2 3.59Å; M710-L753 HydrophobicContact CE-CD2 3.99Å; M710-L753 HydrophobicContact CG-CD1 4.46Å; M710-L753 HydrophobicContact CG-CD2 3.6Å; I744-L753 HydrophobicContact CG2-CD1 4.2Å; L747-L753 HydrophobicContact CB-CD1 4Å; L747-L753 HydrophobicContact CB-CG 4.21Å; L747-L753 HydrophobicContact CD1-CD1 4.25Å; L747-L753 PolarHBondContact O-N 2.94Å; I748-L753 WeakPolarHBondContact CA-O 3.49Å; I748-L753 HydrophobicContact CG1-CB 3.88Å; L753-T764 CarbonylContact C-O 3.52Å; L753-T764 WeakPolarHBondContact CA-O 3.48Å; L753-Y765 HydrophobicContact CD2-CD2 3.99Å
754	A	93.9	Very high	93.4	Very high	33 Å²	33	72.7 Å²	72.7	27%	0.273	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	158	168.7	0	0	0	0	0	110.6	Y763 T764 V766	A754-Y763 CarbonylContact O-C 3.58Å; A754-Y763 VanDerWaalsContact O-CA 3.26Å; A754-Y763 WeakPolarHBondContact O-CA 3.35Å; A754-T764 PolarHBondContact N-O 3.1Å; A754-T764 PolarHBondContact O-N 3.23Å; A754-T764 PolarHBondContact O-OG1 2.87Å; A754-V766 HydrophobicContact CB-CG1 3.7Å
755	R	94.8	Very high	93.3	Very high	99 Å²	99	74.2 Å²	74.2	37%	0.374	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	143.8	168.5	-66.8	-177.1	-179	104.5	-0.4	109.1	E745 I748 V762 Y763	E745-R755 IonicContact OE1-CZ 3.86Å; E745-R755 IonicContact OE1-NH2 3.77Å; E745-R755 PolarHBondContact OE1-NH2 3.36Å; E745-R755 IonicContact OE2-CZ 3.28Å; E745-R755 IonicContact OE2-NH1 2.95Å; E745-R755 IonicContact OE2-NH2 3.85Å; E745-R755 PolarHBondContact OE2-NH2 3.42Å; I748-R755 HydrophobicContact CD1-CG 4.29Å; R755-V762 WeakPolarHBondContact CA-O 3.38Å; R755-Y763 HydrophobicContact CG-CD1 4.05Å; R755-Y763 HydrophobicContact CG-CE1 3.97Å
756	T	91.7	Very high	93.1	Very high	11 Å²	11	75.5 Å²	75.5	7%	0.067	36%	0.361	C	S	.	.			trans	-67.7	147.9	173	60.2	0	0	0	0	111.3	E758 D759 V762 T764	T756-E758 PolarHBondContact O-N 3.08Å; T756-D759 PolarHBondContact OG1-N 3.42Å; T756-D759 PolarHBondContact OG1-O 3.28Å; T756-V762 HydrophobicContact CG2-CB 4.13Å; T756-V762 HydrophobicContact CG2-CG1 3.84Å; T756-V762 PolarHBondContact N-O 2.91Å; T756-T764 HydrophobicContact CG2-CG2 3.61Å
757	P	85.6	Confident	92.4	Very high	124 Å²	124	79.5 Å²	79.5	81%	0.805	39%	0.392	S	S	*	.	S	Bend	trans	-61	-33.2	176.1	-20.8	31.6	0	0	0	112.8
758	E	88.6	Confident	92.3	Very high	152 Å²	152	83.3 Å²	83.3	71%	0.71	41%	0.411	S	S	*	.	S	Bend	trans	-82.9	-35.9	-173.6	-51.4	75.1	-151.8	0	0	112.6	T756	T756-E758 PolarHBondContact O-N 3.08Å
759	D	91.1	Very high	92.1	Very high	63 Å²	63	85.8 Å²	85.8	34%	0.337	42%	0.423	S	S	.	.			trans	-141.2	118.5	179.1	-173.3	-1.5	0	0	0	112.2	T756 K761 V762	T756-D759 PolarHBondContact OG1-N 3.42Å; T756-D759 PolarHBondContact OG1-O 3.28Å; D759-K761 PolarHBondContact O-N 3.11Å; D759-K761 VanDerWaalsContact OD1-CB 3.31Å; D759-K761 WeakPolarHBondContact OD1-CB 3.34Å; D759-K761 PolarHBondContact OD1-N 3.49Å; D759-V762 HydrophobicContact CB-CB 4.43Å; D759-V762 HydrophobicContact CB-CG2 4.01Å; D759-V762 PolarHBondContact O-N 3.12Å; D759-V762 VanDerWaalsContact O-N 3.09Å
760	R	88.6	Confident	91.9	Very high	205 Å²	205	81.7 Å²	81.7	77%	0.774	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.6	176.6	-70	-173.3	175.1	-171.4	-1	113.9	V762	R760-V762 VanDerWaalsContact C-N 3.31Å
761	K	92	Very high	91.7	Very high	136 Å²	136	79.5 Å²	79.5	59%	0.591	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-0.4	174.4	-60.4	178.2	-179.3	174.7	0	112.7	Q717 H718 D759	Q717-K761 CarbonylContact C-O 3.3Å; Q717-K761 WeakPolarHBondContact CA-O 3.49Å; H718-K761 PolarHBondContact N-O 3.38Å; D759-K761 PolarHBondContact O-N 3.11Å; D759-K761 VanDerWaalsContact OD1-CB 3.31Å; D759-K761 WeakPolarHBondContact OD1-CB 3.34Å; D759-K761 PolarHBondContact OD1-N 3.49Å
762	V	94.2	Very high	91.6	Very high	22 Å²	22	74.8 Å²	74.8	13%	0.133	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.3	177.1	-177.3	0	0	0	0	109.6	K715 R755 T756 D759 R760	K715-V762 HydrophobicContact CD-CG1 4.2Å; K715-V762 VanDerWaalsContact CE-CG1 3.47Å; K715-V762 HydrophobicContact CG-CG1 3.64Å; R755-V762 WeakPolarHBondContact CA-O 3.38Å; T756-V762 HydrophobicContact CG2-CB 4.13Å; T756-V762 HydrophobicContact CG2-CG1 3.84Å; T756-V762 PolarHBondContact N-O 2.91Å; D759-V762 HydrophobicContact CB-CB 4.43Å; D759-V762 HydrophobicContact CB-CG2 4.01Å; D759-V762 PolarHBondContact O-N 3.12Å; D759-V762 VanDerWaalsContact O-N 3.09Å; R760-V762 VanDerWaalsContact C-N 3.31Å
763	Y	95.8	Very high	91.6	Very high	7 Å²	7	73.3 Å²	73.3	3%	0.027	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	147.2	179.6	-54.7	-67.3	0	0	0	110.7	M710 K715 M716 H718 L721 I744 I748 A754 R755	M710-Y763 WeakPolarHBondContact CE-O 3.42Å; K715-Y763 CarbonylContact C-O 3.57Å; K715-Y763 VanDerWaalsContact CA-O 3.29Å; K715-Y763 WeakPolarHBondContact CA-O 3.41Å; M716-Y763 PolarHBondContact N-O 2.93Å; M716-Y763 PolarHBondContact O-N 3.25Å; H718-Y763 HydrophobicContact CB-CE2 3.68Å; H718-Y763 AromaticContact CG-CE2 3.99Å; H718-Y763 AromaticContact ND1-CE2 3.48Å; H718-Y763 WeakPolarHBondContact ND1-CE2 3.44Å; H718-Y763 AromaticContact ND1-CZ 3.66Å; H718-Y763 PolarHBondContact ND1-OH 3.02Å; L721-Y763 HydrophobicContact CD2-CD2 3.9Å; L721-Y763 HydrophobicContact CD2-CE2 4.39Å; I744-Y763 HydrophobicContact CD1-CE2 4.19Å; I744-Y763 HydrophobicContact CG2-CD1 4.22Å; I744-Y763 HydrophobicContact CG2-CE1 3.79Å; I744-Y763 HydrophobicContact CG2-CE2 4.13Å; I748-Y763 HydrophobicContact CD1-CD1 4.21Å; I748-Y763 HydrophobicContact CD1-CE1 3.97Å; A754-Y763 CarbonylContact O-C 3.58Å; A754-Y763 VanDerWaalsContact O-CA 3.26Å; A754-Y763 WeakPolarHBondContact O-CA 3.35Å; R755-Y763 HydrophobicContact CG-CD1 4.05Å; R755-Y763 HydrophobicContact CG-CE1 3.97Å
764	T	94.7	Very high	91.3	Very high	37 Å²	37	78.3 Å²	78.3	23%	0.227	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	140	172.6	47	0	0	0	0	110.2	K714 K715 L753 A754 T756	K714-T764 CarbonylContact O-C 3.19Å; K714-T764 VanDerWaalsContact O-CA 3.3Å; K714-T764 WeakPolarHBondContact O-CA 3.43Å; K715-T764 HydrophobicContact CB-CG2 4.29Å; K715-T764 HydrophobicContact CD-CG2 4.32Å; K715-T764 HydrophobicContact CG-CG2 4.05Å; L753-T764 CarbonylContact C-O 3.52Å; L753-T764 WeakPolarHBondContact CA-O 3.48Å; A754-T764 PolarHBondContact N-O 3.1Å; A754-T764 PolarHBondContact O-N 3.23Å; A754-T764 PolarHBondContact O-OG1 2.87Å; T756-T764 HydrophobicContact CG2-CG2 3.61Å
765	Y	95.3	Very high	91.1	Very high	32 Å²	32	81.8 Å²	81.8	13%	0.125	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	130.4	173.5	-174.6	-105.1	0	0	0	110.2	V707 M710 K711 K714 Y752 L753 A767	V707-Y765 HydrophobicContact CG1-CE2 4.16Å; M710-Y765 HydrophobicContact CB-CD2 3.91Å; M710-Y765 HydrophobicContact CB-CG 4.38Å; M710-Y765 WeakPolarHBondContact O-CB 3.47Å; K711-Y765 HydrophobicContact CB-CD1 4.34Å; K711-Y765 HydrophobicContact CB-CD2 4.45Å; K711-Y765 HydrophobicContact CB-CE1 3.93Å; K711-Y765 HydrophobicContact CB-CE2 4.1Å; K711-Y765 HydrophobicContact CG-CE1 3.84Å; K714-Y765 HydrophobicContact CD-CD1 4.44Å; K714-Y765 PolarHBondContact O-N 2.94Å; Y752-Y765 WeakPolarHBondContact O-CD2 3.33Å; L753-Y765 HydrophobicContact CD2-CD2 3.99Å; Y765-A767 WeakPolarHBondContact CE1-O 3.41Å; Y765-A767 HydrophobicContact CE2-CB 4.4Å; Y765-A767 PolarHBondContact OH-O 3.17Å
766	V	91.4	Very high	90.8	Very high	80 Å²	80	80.3 Å²	80.3	49%	0.485	42%	0.422	S	S	.	.			trans	-122.8	-5.8	-168.8	-71.5	0	0	0	0	114.8	E751 Y752 A754	E751-V766 WeakPolarHBondContact O-CG2 3.36Å; Y752-V766 WeakPolarHBondContact O-CG2 3.39Å; Y752-V766 PolarHBondContact O-N 2.89Å; Y752-V766 VanDerWaalsContact O-N 3.17Å; A754-V766 HydrophobicContact CB-CG1 3.7Å
767	A	80.6	Confident	90.7	Very high	95 Å²	95	86.6 Å²	86.6	79%	0.785	46%	0.455	S	S	*	.			trans	-99.3	0	-177.2	0	0	0	0	0	115.2	Y752 Y765	Y752-A767 HydrophobicContact CD1-CB 3.9Å; Y752-A767 HydrophobicContact CE1-CB 4.38Å; Y752-A767 HydrophobicContact CG-CB 4.49Å; Y765-A767 WeakPolarHBondContact CE1-O 3.41Å; Y765-A767 HydrophobicContact CE2-CB 4.4Å; Y765-A767 PolarHBondContact OH-O 3.17Å

Retrieved 767 of 767 residues in 1173.9 ms (Link to these results)

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