A0A060X426_ONCMY Loading...

Cullin family profile domain-containing protein

AlphaFold DB , UniProt , Accession A0A060X426, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 791 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	37.3	Very low	34.3	Very low	238 Å²	238	155.9 Å²	155.9	100%	1.172	88%	0.883	S	S	*	*				0	119.7	0	-72.2	-177	-170.6	0	0	108.7
2	S	35.2	Very low	34.2	Very low	119 Å²	119	156.6 Å²	156.6	83%	0.832	88%	0.882	S	S	*	*			trans	50.4	87.6	152.1	47.4	0	0	0	0	121.7
3	N	32	Very low	34.4	Very low	148 Å²	148	154.9 Å²	154.9	79%	0.791	88%	0.878	S	S	*	*			trans	14	126.1	134.9	-77.2	-11.8	0	0	0	124.2
4	L	35.1	Very low	34.4	Very low	160 Å²	160	158.7 Å²	158.7	84%	0.838	88%	0.88	S	S	*	*				68	115.9	123.4	-73.8	153.9	0	0	0	122.1
5	S	30.9	Very low	34.1	Very low	109 Å²	109	159.7 Å²	159.7	76%	0.762	88%	0.878	S	S	*	*				148.1	104.3	106	169.4	0	0	0	0	113
6	K	34.1	Very low	34.4	Very low	219 Å²	219	165.1 Å²	165.1	95%	0.952	88%	0.881	S	S	*	*			trans	-144.4	122.9	154.1	-85.9	-167.9	178.2	176.2	0	110.9
7	G	31.2	Very low	34.7	Very low	79 Å²	79	163.9 Å²	163.9	81%	0.814	87%	0.873	S	S	*	*			trans	-99.1	151.4	-176.3	0	0	0	0	0	114.7
8	G	30.8	Very low	34.8	Very low	84 Å²	84	167.6 Å²	167.6	87%	0.866	87%	0.873	S	S	*	*				70.5	95.1	116.8	0	0	0	0	0	119.6
9	T	38.1	Very low	34.8	Very low	142 Å²	142	163.9 Å²	163.9	87%	0.871	87%	0.869	S	S	*	*			trans	-73.6	139.3	165.3	46	0	0	0	0	113.8
10	K	31.6	Very low	35	Very low	207 Å²	207	165 Å²	165	90%	0.9	87%	0.867	S	S	*	*			trans	-145.1	126	149.7	-99.3	-177.1	179.8	178.7	0	110.8
11	K	41.7	Very low	35.4	Very low	210 Å²	210	162.3 Å²	162.3	91%	0.913	86%	0.859	S	S	*	*			trans	-71.3	120.7	169.3	-94.8	175.7	169.3	175.5	0	108.6
12	D	33.1	Very low	35.9	Very low	164 Å²	164	159.8 Å²	159.8	88%	0.877	85%	0.847	S	S	*	*			trans	-94.7	116.4	171.4	-100.9	-21.9	0	0	0	111.5	K14	D12-K14 PolarHBondContact O-N 3.35Å
13	T	36.4	Very low	36.9	Very low	135 Å²	135	159.6 Å²	159.6	83%	0.828	84%	0.841	S	S	*	*			trans	-70.5	109.5	168.3	-46.1	0	0	0	0	108.2	M15	T13-M15 PolarHBondContact O-N 3.1Å
14	K	34.3	Very low	38.4	Very low	208 Å²	208	153.9 Å²	153.9	90%	0.904	81%	0.809	S	S	*	*			trans	-60.9	104.1	174.1	-104.7	179.7	176.5	176.3	0	110.2	D12 R16	D12-K14 PolarHBondContact O-N 3.35Å; K14-R16 PolarHBondContact O-N 3.3Å
15	M	29.9	Very low	40.2	Very low	173 Å²	173	151.2 Å²	151.2	85%	0.852	80%	0.796	S	S	*	*			trans	-64.9	114.5	170.2	-158	169.9	174.7	0	0	108.8	T13 I17	T13-M15 PolarHBondContact O-N 3.1Å; M15-I17 PolarHBondContact O-N 2.89Å
16	R	39.7	Very low	42.2	Very low	246 Å²	246	153 Å²	153	93%	0.928	79%	0.792	S	S	*	*			trans	-74.1	92	174.1	-126.8	-179.4	179.9	175	-0.6	107.9	K14 R18	K14-R16 PolarHBondContact O-N 3.3Å; R16-R18 PolarHBondContact O-N 3.5Å
17	I	39.6	Very low	44.2	Very low	145 Å²	145	149.8 Å²	149.8	74%	0.744	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-67.5	118.5	169.4	-60.1	173.4	0	0	0	106.8	M15 A19	M15-I17 PolarHBondContact O-N 2.89Å; I17-A19 PolarHBondContact O-N 3.5Å
18	R	36.2	Very low	46.4	Very low	231 Å²	231	152.1 Å²	152.1	87%	0.872	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-58.3	127.6	169.2	-82.5	-178.5	174.7	174.3	-1.8	108.1	R16 F20	R16-R18 PolarHBondContact O-N 3.5Å; R18-F20 PolarHBondContact O-N 3.2Å
19	A	34.8	Very low	48.7	Very low	97 Å²	97	148.1 Å²	148.1	80%	0.802	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-57.9	131.6	171.4	0	0	0	0	0	109.7	I17	I17-A19 PolarHBondContact O-N 3.5Å
20	F	37.6	Very low	50.8	Low	186 Å²	186	144.3 Å²	144.3	82%	0.816	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-57.6	145.7	164.3	-83.4	-93.3	0	0	0	109.2	R18 M22	R18-F20 PolarHBondContact O-N 3.2Å; F20-M22 PolarHBondContact O-N 3.42Å
21	P	43.2	Very low	53.3	Low	109 Å²	109	139.1 Å²	139.1	71%	0.708	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-55.5	124.4	176.8	-19	30.2	0	0	0	110	T23	P21-T23 PolarHBondContact O-N 3.15Å
22	M	49.6	Very low	55.2	Low	184 Å²	184	129.3 Å²	129.3	91%	0.906	64%	0.636	S	S	*	*	S	Bend	trans	-81.8	6.5	-171.2	-116.9	-175.7	-171.7	0	0	114.1	F20	F20-M22 PolarHBondContact O-N 3.42Å
23	T	56.1	Low	57.8	Low	116 Å²	116	122.8 Å²	122.8	71%	0.712	60%	0.599	S	S	*	*			trans	-144	123.8	-172.5	51.6	0	0	0	0	110.8	P21	P21-T23 PolarHBondContact O-N 3.15Å
24	M	63.3	Low	60.1	Low	27 Å²	27	120 Å²	120	13%	0.133	58%	0.58	C	S	.	*			trans	-69.6	149.1	166.4	-70.3	-160.1	-60.5	0	0	110.1	Y28 V29 T62 H66	M24-Y28 HydrophobicContact SD-CD1 3.92Å; M24-Y28 HydrophobicContact SD-CE1 4.14Å; M24-V29 HydrophobicContact CB-CG2 3.75Å; M24-V29 HydrophobicContact CE-CB 4.35Å; M24-V29 HydrophobicContact CE-CG1 4.39Å; M24-V29 HydrophobicContact CE-CG2 3.42Å; M24-V29 VanDerWaalsContact CE-CG2 3.42Å; M24-V29 HydrophobicContact SD-CG2 4.42Å; M24-T62 HydrophobicContact SD-CG2 4.05Å; M24-H66 HydrophobicContact CE-CB 3.76Å; M24-H66 HydrophobicContact CG-CB 3.97Å; M24-H66 HydrophobicContact SD-CB 4.19Å
25	D	71.9	Confident	62.6	Low	105 Å²	105	114.6 Å²	114.6	56%	0.561	56%	0.56	S	S	*	*			trans	-65.7	130.8	168.9	-179.5	3.2	0	0	0	109.9	K27 Y28 V29	D25-K27 PolarHBondContact O-N 3.29Å; D25-K27 PolarHBondContact OD1-N 3.12Å; D25-Y28 WeakPolarHBondContact O-CB 3.34Å; D25-Y28 PolarHBondContact O-N 3.22Å; D25-V29 WeakPolarHBondContact O-CG2 3.41Å; D25-V29 PolarHBondContact O-N 3.42Å; D25-V29 VanDerWaalsContact O-N 3.12Å
26	E	72.9	Confident	65.2	Low	146 Å²	146	106.5 Å²	106.5	68%	0.682	52%	0.52	S	S	*	.	H	α-helix	trans	-55.6	-33.3	-179.8	-74.6	-169.2	152.7	0	0	112.8	Y28 V29 N30	E26-Y28 VanDerWaalsContact C-N 3.33Å; E26-Y28 PolarHBondContact O-N 3.26Å; E26-V29 PolarHBondContact O-N 3.2Å; E26-N30 VanDerWaalsContact O-CG 3.26Å; E26-N30 PolarHBondContact O-N 2.62Å; E26-N30 PolarHBondContact O-ND2 3.37Å
27	K	75.8	Confident	67.5	Low	152 Å²	152	97.9 Å²	97.9	66%	0.661	49%	0.489	S	S	*	.	H	α-helix	trans	-64.2	-38.4	175.4	-73	-176.9	178.5	178.9	0	112.2	D25 N30 N31	D25-K27 PolarHBondContact O-N 3.29Å; D25-K27 PolarHBondContact OD1-N 3.12Å; K27-N30 PolarHBondContact O-N 2.82Å; K27-N31 PolarHBondContact O-N 2.78Å; K27-N31 PolarHBondContact O-ND2 3.42Å; K27-N31 PolarHBondContact O-OD1 3.44Å
28	Y	78.6	Confident	69.8	Low	127 Å²	127	95.2 Å²	95.2	50%	0.498	48%	0.477	S	S	.	.	H	α-helix	trans	-70.4	-38.7	177.4	-173.1	-111.7	0	0	0	111.5	M24 D25 E26 N30 N31 I32	M24-Y28 HydrophobicContact SD-CD1 3.92Å; M24-Y28 HydrophobicContact SD-CE1 4.14Å; D25-Y28 WeakPolarHBondContact O-CB 3.34Å; D25-Y28 PolarHBondContact O-N 3.22Å; E26-Y28 VanDerWaalsContact C-N 3.33Å; E26-Y28 PolarHBondContact O-N 3.26Å; Y28-N30 PolarHBondContact O-N 3.29Å; Y28-N31 PolarHBondContact O-N 2.93Å; Y28-I32 HydrophobicContact CD1-CD1 3.75Å; Y28-I32 HydrophobicContact CE1-CD1 3.38Å; Y28-I32 HydrophobicContact CE1-CG1 4.37Å; Y28-I32 HydrophobicContact CE2-CD1 4.44Å; Y28-I32 HydrophobicContact CG-CD1 4.44Å; Y28-I32 WeakPolarHBondContact O-CG1 3.27Å; Y28-I32 PolarHBondContact O-N 3.27Å
29	V	78	Confident	72.1	Confident	1 Å²	1	84.4 Å²	84.4	1%	0.006	44%	0.437	C	S	.	.	H	α-helix	trans	-62.9	-41.2	173.9	-172.3	0	0	0	0	111.7	M24 D25 E26 I32 W33 M63 H68	M24-V29 HydrophobicContact CB-CG2 3.75Å; M24-V29 HydrophobicContact CE-CB 4.35Å; M24-V29 HydrophobicContact CE-CG1 4.39Å; M24-V29 HydrophobicContact CE-CG2 3.42Å; M24-V29 VanDerWaalsContact CE-CG2 3.42Å; M24-V29 HydrophobicContact SD-CG2 4.42Å; D25-V29 WeakPolarHBondContact O-CG2 3.41Å; D25-V29 PolarHBondContact O-N 3.42Å; D25-V29 VanDerWaalsContact O-N 3.12Å; E26-V29 PolarHBondContact O-N 3.2Å; V29-I32 PolarHBondContact O-N 3.46Å; V29-W33 WeakPolarHBondContact O-CB 3.28Å; V29-W33 PolarHBondContact O-N 2.92Å; V29-M63 HydrophobicContact CG1-CE 4.02Å; V29-H68 HydrophobicContact CG1-CB 4.21Å
30	N	82	Confident	74.6	Confident	62 Å²	62	80 Å²	80	33%	0.332	40%	0.4	S	S	.	.	H	α-helix	trans	-64.4	-44.8	175.8	-71.5	-24.5	0	0	0	111.6	E26 K27 Y28 I32 W33 D34 K71	E26-N30 VanDerWaalsContact O-CG 3.26Å; E26-N30 PolarHBondContact O-N 2.62Å; E26-N30 PolarHBondContact O-ND2 3.37Å; K27-N30 PolarHBondContact O-N 2.82Å; Y28-N30 PolarHBondContact O-N 3.29Å; N30-I32 VanDerWaalsContact C-N 3.34Å; N30-I32 PolarHBondContact O-N 3.13Å; N30-W33 PolarHBondContact O-N 3.19Å; N30-W33 VanDerWaalsContact O-N 3.16Å; N30-D34 VanDerWaalsContact O-CG 3.31Å; N30-D34 PolarHBondContact O-N 3.49Å; N30-K71 PolarHBondContact OD1-NZ 2.72Å
31	N	84.6	Confident	77	Confident	97 Å²	97	73.2 Å²	73.2	52%	0.519	37%	0.37	S	S	.	.	H	α-helix	trans	-61	-41.4	177.4	-69.1	-13.3	0	0	0	112.4	K27 Y28 D34 L35	K27-N31 PolarHBondContact O-N 2.78Å; K27-N31 PolarHBondContact O-ND2 3.42Å; K27-N31 PolarHBondContact O-OD1 3.44Å; Y28-N31 PolarHBondContact O-N 2.93Å; N31-D34 PolarHBondContact O-N 3.46Å; N31-L35 WeakPolarHBondContact O-CG 3.38Å; N31-L35 PolarHBondContact O-N 2.85Å; N31-L35 VanDerWaalsContact O-N 3.1Å
32	I	82.9	Confident	79.1	Confident	5 Å²	5	70.2 Å²	70.2	3%	0.026	35%	0.347	C	S	.	.	H	α-helix	trans	-65.1	-42	175.6	-66.3	170.1	0	0	0	110.7	Y28 V29 N30 L35 L36 N59 M63	Y28-I32 HydrophobicContact CD1-CD1 3.75Å; Y28-I32 HydrophobicContact CE1-CD1 3.38Å; Y28-I32 HydrophobicContact CE1-CG1 4.37Å; Y28-I32 HydrophobicContact CE2-CD1 4.44Å; Y28-I32 HydrophobicContact CG-CD1 4.44Å; Y28-I32 WeakPolarHBondContact O-CG1 3.27Å; Y28-I32 PolarHBondContact O-N 3.27Å; V29-I32 PolarHBondContact O-N 3.46Å; N30-I32 VanDerWaalsContact C-N 3.34Å; N30-I32 PolarHBondContact O-N 3.13Å; I32-L35 PolarHBondContact O-N 3.39Å; I32-L36 HydrophobicContact CG2-CD1 4.08Å; I32-L36 HydrophobicContact CG2-CG 4.5Å; I32-L36 WeakPolarHBondContact O-CG 3.19Å; I32-L36 PolarHBondContact O-N 3.16Å; I32-N59 HydrophobicContact CG2-CB 3.78Å; I32-M63 HydrophobicContact CB-CG 4.39Å; I32-M63 HydrophobicContact CB-SD 4.27Å; I32-M63 HydrophobicContact CG2-CG 3.75Å; I32-M63 HydrophobicContact CG2-SD 3.67Å
33	W	86.6	Confident	80.9	Confident	26 Å²	26	61.5 Å²	61.5	10%	0.098	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-41.6	176.3	173.5	-114	0	0	0	112.4	V29 N30 L35 L36 K37 M63 L72 G75 L76 V79	V29-W33 WeakPolarHBondContact O-CB 3.28Å; V29-W33 PolarHBondContact O-N 2.92Å; N30-W33 PolarHBondContact O-N 3.19Å; N30-W33 VanDerWaalsContact O-N 3.16Å; W33-L35 VanDerWaalsContact C-N 3.32Å; W33-L35 PolarHBondContact O-N 2.94Å; W33-L36 HydrophobicContact CE3-CB 4.3Å; W33-L36 HydrophobicContact CZ3-CB 4.47Å; W33-L36 PolarHBondContact O-N 3.32Å; W33-K37 HydrophobicContact CZ2-CB 4.22Å; W33-K37 VanDerWaalsContact O-CB 3.27Å; W33-K37 WeakPolarHBondContact O-CB 3.19Å; W33-K37 PolarHBondContact O-N 2.8Å; W33-M63 HydrophobicContact CB-CE 4.3Å; W33-M63 HydrophobicContact CB-SD 4.45Å; W33-L72 HydrophobicContact CE3-CD1 3.76Å; W33-L72 HydrophobicContact CZ3-CD1 3.69Å; W33-G75 WeakPolarHBondContact CZ2-O 3.31Å; W33-L76 VanDerWaalsContact CH2-N 3.28Å; W33-V79 HydrophobicContact CH2-CG2 4.41Å; W33-V79 HydrophobicContact CZ2-CG2 4.08Å
34	D	85.6	Confident	82.3	Confident	77 Å²	77	56.9 Å²	56.9	41%	0.412	27%	0.274	S	S	.	.	H	α-helix	trans	-63.6	-38.5	177.5	-70.7	-29.3	0	0	0	111.5	N30 N31 K37 N38	N30-D34 VanDerWaalsContact O-CG 3.31Å; N30-D34 PolarHBondContact O-N 3.49Å; N31-D34 PolarHBondContact O-N 3.46Å; D34-K37 PolarHBondContact O-N 2.96Å; D34-N38 WeakPolarHBondContact O-CB 3.48Å; D34-N38 PolarHBondContact O-N 2.87Å; D34-N38 PolarHBondContact O-ND2 3.4Å; D34-N38 VanDerWaalsContact O-ND2 3.14Å
35	L	86	Confident	83.4	Confident	95 Å²	95	62.2 Å²	62.2	50%	0.497	29%	0.293	S	S	.	.	H	α-helix	trans	-62.3	-45.6	172.1	-73.3	167.3	0	0	0	112	N31 I32 W33 A39	N31-L35 WeakPolarHBondContact O-CG 3.38Å; N31-L35 PolarHBondContact O-N 2.85Å; N31-L35 VanDerWaalsContact O-N 3.1Å; I32-L35 PolarHBondContact O-N 3.39Å; W33-L35 VanDerWaalsContact C-N 3.32Å; W33-L35 PolarHBondContact O-N 2.94Å; L35-A39 WeakPolarHBondContact O-CB 3.45Å; L35-A39 PolarHBondContact O-N 3.41Å
36	L	85.4	Confident	84	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-66.6	-41	177.3	-69.8	171.8	0	0	0	112	I32 W33 A39 I40 L56 N59 A60 M63 L72 I121	I32-L36 HydrophobicContact CG2-CD1 4.08Å; I32-L36 HydrophobicContact CG2-CG 4.5Å; I32-L36 WeakPolarHBondContact O-CG 3.19Å; I32-L36 PolarHBondContact O-N 3.16Å; W33-L36 HydrophobicContact CE3-CB 4.3Å; W33-L36 HydrophobicContact CZ3-CB 4.47Å; W33-L36 PolarHBondContact O-N 3.32Å; L36-A39 PolarHBondContact O-N 2.87Å; L36-I40 WeakPolarHBondContact O-CD1 3.47Å; L36-I40 VanDerWaalsContact O-CG1 3.23Å; L36-I40 WeakPolarHBondContact O-CG1 3.26Å; L36-I40 PolarHBondContact O-N 3.14Å; L36-L56 HydrophobicContact CD2-CB 4.24Å; L36-L56 HydrophobicContact CD2-CD2 4.04Å; L36-L56 WeakPolarHBondContact CD2-O 3.38Å; L36-N59 HydrophobicContact CD2-CB 4.37Å; L36-A60 HydrophobicContact CD1-CB 4.25Å; L36-A60 HydrophobicContact CD2-CB 4.39Å; L36-M63 HydrophobicContact CD1-SD 3.74Å; L36-L72 HydrophobicContact CD1-CD1 3.74Å; L36-I121 HydrophobicContact CD2-CG2 4.26Å
37	K	87.7	Confident	84.5	Confident	65 Å²	65	60.1 Å²	60.1	28%	0.283	28%	0.281	S	S	.	.	H	α-helix	trans	-60.2	-48.1	175.8	173.5	170.4	178.9	177.8	0	111.1	W33 D34 A39 I40 Q41 V79	W33-K37 HydrophobicContact CZ2-CB 4.22Å; W33-K37 VanDerWaalsContact O-CB 3.27Å; W33-K37 WeakPolarHBondContact O-CB 3.19Å; W33-K37 PolarHBondContact O-N 2.8Å; D34-K37 PolarHBondContact O-N 2.96Å; K37-A39 VanDerWaalsContact C-N 3.34Å; K37-A39 PolarHBondContact O-N 3.47Å; K37-I40 PolarHBondContact O-N 2.73Å; K37-Q41 WeakPolarHBondContact O-CG 3.46Å; K37-Q41 PolarHBondContact O-N 2.96Å; K37-V79 HydrophobicContact CB-CG2 4.49Å; K37-V79 HydrophobicContact CD-CG2 3.93Å; K37-V79 HydrophobicContact CG-CG2 3.73Å
38	N	86.6	Confident	84.7	Confident	90 Å²	90	55.4 Å²	55.4	48%	0.481	26%	0.263	S	S	.	.	H	α-helix	trans	-61.6	-42.9	176.8	-71.7	-26.5	0	0	0	111.4	D34 I40 Q41 E42	D34-N38 WeakPolarHBondContact O-CB 3.48Å; D34-N38 PolarHBondContact O-N 2.87Å; D34-N38 PolarHBondContact O-ND2 3.4Å; D34-N38 VanDerWaalsContact O-ND2 3.14Å; N38-I40 PolarHBondContact O-N 2.82Å; N38-Q41 PolarHBondContact O-N 3.24Å; N38-E42 WeakPolarHBondContact O-CG 3.33Å; N38-E42 PolarHBondContact O-N 3.07Å
39	A	85.9	Confident	84.5	Confident	4 Å²	4	55 Å²	55	3%	0.033	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-42.7	176.4	0	0	0	0	0	112.7	L35 L36 K37 Q41 E42 I43 L51 L56	L35-A39 WeakPolarHBondContact O-CB 3.45Å; L35-A39 PolarHBondContact O-N 3.41Å; L36-A39 PolarHBondContact O-N 2.87Å; K37-A39 VanDerWaalsContact C-N 3.34Å; K37-A39 PolarHBondContact O-N 3.47Å; A39-Q41 VanDerWaalsContact C-N 3.33Å; A39-Q41 PolarHBondContact O-N 2.87Å; A39-E42 PolarHBondContact O-N 3.5Å; A39-I43 VanDerWaalsContact O-CG1 3.24Å; A39-I43 WeakPolarHBondContact O-CG1 3.31Å; A39-I43 PolarHBondContact O-N 2.97Å; A39-L51 HydrophobicContact CB-CD2 3.9Å; A39-L56 HydrophobicContact CB-CD1 3.62Å; A39-L56 HydrophobicContact CB-CD2 3.58Å; A39-L56 HydrophobicContact CB-CG 4.26Å
40	I	86.7	Confident	84.2	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-61.4	-42.3	175.5	-68.6	159.9	0	0	0	110.7	L36 K37 N38 I43 Q44 L76 V79 I118	L36-I40 WeakPolarHBondContact O-CD1 3.47Å; L36-I40 VanDerWaalsContact O-CG1 3.23Å; L36-I40 WeakPolarHBondContact O-CG1 3.26Å; L36-I40 PolarHBondContact O-N 3.14Å; K37-I40 PolarHBondContact O-N 2.73Å; N38-I40 PolarHBondContact O-N 2.82Å; I40-I43 PolarHBondContact O-N 3.41Å; I40-Q44 VanDerWaalsContact O-CG 3.31Å; I40-Q44 WeakPolarHBondContact O-CG 3.47Å; I40-Q44 PolarHBondContact O-N 2.96Å; I40-L76 HydrophobicContact CD1-CD1 3.75Å; I40-L76 HydrophobicContact CG1-CD1 4.45Å; I40-L76 HydrophobicContact CG2-CD1 4.36Å; I40-V79 HydrophobicContact CB-CG1 4.37Å; I40-V79 HydrophobicContact CG2-CG1 3.73Å; I40-I118 HydrophobicContact CG1-CG1 4.43Å; I40-I118 HydrophobicContact CG2-CD1 3.9Å; I40-I118 HydrophobicContact CG2-CG1 4.37Å
41	Q	87.3	Confident	84.3	Confident	42 Å²	42	57.4 Å²	57.4	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-65.1	-40.5	176.9	-72.5	180	-16.3	0	0	112.5	K37 N38 A39 Q44 R45 V79	K37-Q41 WeakPolarHBondContact O-CG 3.46Å; K37-Q41 PolarHBondContact O-N 2.96Å; N38-Q41 PolarHBondContact O-N 3.24Å; A39-Q41 VanDerWaalsContact C-N 3.33Å; A39-Q41 PolarHBondContact O-N 2.87Å; Q41-Q44 PolarHBondContact O-N 3.03Å; Q41-R45 VanDerWaalsContact O-CG 3.26Å; Q41-R45 WeakPolarHBondContact O-CG 3.31Å; Q41-R45 PolarHBondContact O-N 3.34Å; Q41-V79 HydrophobicContact CG-CG1 3.89Å
42	E	86.9	Confident	84.4	Confident	46 Å²	46	55.5 Å²	55.5	22%	0.215	30%	0.302	C	S	.	.	H	α-helix	trans	-67.2	-37.3	176.1	-70.6	-56.5	117.7	0	0	111.9	N38 A39 R45 K46 N47 L51	N38-E42 WeakPolarHBondContact O-CG 3.33Å; N38-E42 PolarHBondContact O-N 3.07Å; A39-E42 PolarHBondContact O-N 3.5Å; E42-R45 CarbonylContact O-C 3.39Å; E42-R45 WeakPolarHBondContact O-CA 3.39Å; E42-R45 PolarHBondContact O-N 2.98Å; E42-R45 VanDerWaalsContact O-N 3.11Å; E42-R45 IonicContact OE1-CZ 3.83Å; E42-R45 IonicContact OE1-NH1 2.8Å; E42-R45 PolarHBondContact OE1-NH1 2.99Å; E42-K46 PolarHBondContact O-N 3.24Å; E42-K46 VanDerWaalsContact O-N 3.15Å; E42-N47 PolarHBondContact O-N 3.23Å; E42-N47 VanDerWaalsContact OE2-CB 3.3Å; E42-N47 WeakPolarHBondContact OE2-CB 3.29Å; E42-N47 PolarHBondContact OE2-ND2 3.36Å; E42-L51 HydrophobicContact CB-CD1 4.3Å
43	I	87.6	Confident	84.4	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-45.5	172.8	-70.4	165.4	0	0	0	111.3	A39 I40 R45 K46 N48 L51 A114 M117 I118 I121	A39-I43 VanDerWaalsContact O-CG1 3.24Å; A39-I43 WeakPolarHBondContact O-CG1 3.31Å; A39-I43 PolarHBondContact O-N 2.97Å; I40-I43 PolarHBondContact O-N 3.41Å; I43-R45 PolarHBondContact O-N 3.24Å; I43-K46 PolarHBondContact O-N 3.18Å; I43-N48 WeakPolarHBondContact CA-OD1 3.49Å; I43-L51 HydrophobicContact CD1-CD1 4.17Å; I43-L51 HydrophobicContact CG1-CD1 3.63Å; I43-A114 HydrophobicContact CG2-CB 4.07Å; I43-M117 HydrophobicContact CG2-CB 4.07Å; I43-M117 HydrophobicContact CG2-CE 3.77Å; I43-M117 HydrophobicContact CG2-SD 4.45Å; I43-I118 HydrophobicContact CD1-CG1 4.46Å; I43-I118 HydrophobicContact CG2-CG1 4.21Å; I43-I121 HydrophobicContact CD1-CD1 3.31Å
44	Q	86.2	Confident	84.1	Confident	18 Å²	18	63.6 Å²	63.6	8%	0.084	34%	0.34	C	S	.	.	H	α-helix	trans	-65.6	-25.1	175.6	-72.5	173.5	-28.3	0	0	113	I40 Q41 K46	I40-Q44 VanDerWaalsContact O-CG 3.31Å; I40-Q44 WeakPolarHBondContact O-CG 3.47Å; I40-Q44 PolarHBondContact O-N 2.96Å; Q41-Q44 PolarHBondContact O-N 3.03Å; Q44-K46 VanDerWaalsContact C-N 3.3Å
45	R	85.5	Confident	84	Confident	140 Å²	140	65.3 Å²	65.3	53%	0.528	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	0.2	172.5	-70.3	170	-178.2	165.1	0.7	113.5	Q41 E42 I43 N47	Q41-R45 VanDerWaalsContact O-CG 3.26Å; Q41-R45 WeakPolarHBondContact O-CG 3.31Å; Q41-R45 PolarHBondContact O-N 3.34Å; E42-R45 CarbonylContact O-C 3.39Å; E42-R45 WeakPolarHBondContact O-CA 3.39Å; E42-R45 PolarHBondContact O-N 2.98Å; E42-R45 VanDerWaalsContact O-N 3.11Å; E42-R45 IonicContact OE1-CZ 3.83Å; E42-R45 IonicContact OE1-NH1 2.8Å; E42-R45 PolarHBondContact OE1-NH1 2.99Å; I43-R45 PolarHBondContact O-N 3.24Å; R45-N47 PolarHBondContact O-N 2.83Å
46	K	84.3	Confident	83.9	Confident	128 Å²	128	61.5 Å²	61.5	56%	0.557	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	22.6	-173.7	-49.5	-177.2	-175.4	-176.8	0	114.2	E42 I43 Q44 N48 D110	E42-K46 PolarHBondContact O-N 3.24Å; E42-K46 VanDerWaalsContact O-N 3.15Å; I43-K46 PolarHBondContact O-N 3.18Å; Q44-K46 VanDerWaalsContact C-N 3.3Å; K46-N48 PolarHBondContact O-N 3.3Å; K46-D110 WeakPolarHBondContact CE-OD1 3.36Å; K46-D110 WeakPolarHBondContact CE-OD2 3.32Å; K46-D110 IonicContact NZ-OD1 2.75Å; K46-D110 PolarHBondContact NZ-OD1 2.91Å; K46-D110 IonicContact NZ-OD2 3.58Å; K46-D110 PolarHBondContact NZ-OD2 3.27Å
47	N	84.3	Confident	83.8	Confident	79 Å²	79	64.9 Å²	64.9	42%	0.422	34%	0.339	S	S	.	.			trans	-101.5	75.2	-179.7	-170.5	20.5	0	0	0	111	E42 R45	E42-N47 PolarHBondContact O-N 3.23Å; E42-N47 VanDerWaalsContact OE2-CB 3.3Å; E42-N47 WeakPolarHBondContact OE2-CB 3.29Å; E42-N47 PolarHBondContact OE2-ND2 3.36Å; R45-N47 PolarHBondContact O-N 2.83Å
48	N	80	Confident	83.5	Confident	53 Å²	53	69 Å²	69	28%	0.283	35%	0.352	S	S	.	.			trans	-94.3	-10.1	-170	-60.7	-17.2	0	0	0	114.4	I43 K46 G50 L51 M117	I43-N48 WeakPolarHBondContact CA-OD1 3.49Å; K46-N48 PolarHBondContact O-N 3.3Å; N48-G50 VanDerWaalsContact C-N 3.27Å; N48-G50 PolarHBondContact O-N 3.12Å; N48-L51 PolarHBondContact O-N 2.96Å; N48-M117 PolarHBondContact ND2-SD 3.17Å
49	S	74.8	Confident	83.3	Confident	117 Å²	117	66 Å²	66	82%	0.818	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-21	-167.4	50.7	0	0	0	0	114.5
50	G	72.3	Confident	83	Confident	73 Å²	73	65.9 Å²	65.9	75%	0.753	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	4	-179.4	0	0	0	0	0	115.6	N48	N48-G50 VanDerWaalsContact C-N 3.27Å; N48-G50 PolarHBondContact O-N 3.12Å
51	L	83.9	Confident	82.7	Confident	42 Å²	42	69.8 Å²	69.8	22%	0.22	35%	0.351	C	S	.	.			trans	-98.7	130.7	-171.7	-61.8	175.2	0	0	0	112.3	A39 E42 I43 N48 L56	A39-L51 HydrophobicContact CB-CD2 3.9Å; E42-L51 HydrophobicContact CB-CD1 4.3Å; I43-L51 HydrophobicContact CD1-CD1 4.17Å; I43-L51 HydrophobicContact CG1-CD1 3.63Å; N48-L51 PolarHBondContact O-N 2.96Å; L51-L56 HydrophobicContact CB-CD1 4.17Å; L51-L56 HydrophobicContact CD2-CD1 4.37Å
52	S	86.4	Confident	82.3	Confident	56 Å²	56	69.7 Å²	69.7	39%	0.392	35%	0.353	S	S	.	.			trans	-91.7	97.8	170.2	178.9	0	0	0	0	110.5	E54 E55 L56	S52-E54 PolarHBondContact O-N 3.49Å; S52-E55 PolarHBondContact O-N 2.95Å; S52-E55 WeakPolarHBondContact OG-CB 3.2Å; S52-E55 PolarHBondContact OG-N 2.91Å; S52-L56 VanDerWaalsContact O-CG 3.3Å; S52-L56 WeakPolarHBondContact O-CG 3.27Å; S52-L56 PolarHBondContact O-N 3.43Å
53	F	82.1	Confident	81.9	Confident	82 Å²	82	67.5 Å²	67.5	36%	0.36	34%	0.343	S	S	.	.	H	α-helix	trans	-59.5	-33.2	-179.3	-76.7	-91.8	0	0	0	113.2	Y57 M117 I121	F53-Y57 VanDerWaalsContact O-CB 3.25Å; F53-Y57 WeakPolarHBondContact O-CB 3.14Å; F53-Y57 PolarHBondContact O-N 2.99Å; F53-M117 HydrophobicContact CE1-CB 4.23Å; F53-M117 HydrophobicContact CZ-SD 4.33Å; F53-I121 HydrophobicContact CD1-CD1 3.9Å; F53-I121 HydrophobicContact CD1-CG1 3.6Å; F53-I121 HydrophobicContact CE1-CD1 3.83Å; F53-I121 HydrophobicContact CE1-CG1 3.97Å
54	E	80.2	Confident	81.3	Confident	120 Å²	120	68.4 Å²	68.4	56%	0.561	35%	0.349	S	S	*	.	H	α-helix	trans	-68	-42	177.1	-171.5	-176.3	178.6	0	0	111.8	S52 Y57 R58	S52-E54 PolarHBondContact O-N 3.49Å; E54-Y57 PolarHBondContact O-N 3.4Å; E54-R58 VanDerWaalsContact O-CG 3.3Å; E54-R58 WeakPolarHBondContact O-CG 3.35Å; E54-R58 PolarHBondContact O-N 3.48Å; E54-R58 IonicContact OE1-CZ 2.67Å; E54-R58 IonicContact OE1-NE 3.28Å; E54-R58 IonicContact OE1-NH2 2.74Å; E54-R58 PolarHBondContact OE1-NH2 3.02Å
55	E	83.1	Confident	80.9	Confident	113 Å²	113	72.1 Å²	72.1	53%	0.528	37%	0.368	S	S	.	.	H	α-helix	trans	-67.9	-44.7	178.1	-172.7	177.6	174	0	0	111.2	S52 Y57 R58 N59	S52-E55 PolarHBondContact O-N 2.95Å; S52-E55 WeakPolarHBondContact OG-CB 3.2Å; S52-E55 PolarHBondContact OG-N 2.91Å; E55-Y57 VanDerWaalsContact C-N 3.33Å; E55-Y57 PolarHBondContact O-N 2.94Å; E55-R58 PolarHBondContact O-N 3.21Å; E55-N59 WeakPolarHBondContact O-CB 3.45Å; E55-N59 VanDerWaalsContact O-CG 3.26Å; E55-N59 PolarHBondContact O-N 3.35Å; E55-N59 PolarHBondContact O-ND2 2.82Å
56	L	84.7	Confident	80.6	Confident	15 Å²	15	68.7 Å²	68.7	8%	0.079	36%	0.358	C	S	.	.	H	α-helix	trans	-62	-40.5	176.5	-65	168.8	0	0	0	111.7	L36 A39 L51 S52 N59 A60 I121	L36-L56 HydrophobicContact CD2-CB 4.24Å; L36-L56 HydrophobicContact CD2-CD2 4.04Å; L36-L56 WeakPolarHBondContact CD2-O 3.38Å; A39-L56 HydrophobicContact CB-CD1 3.62Å; A39-L56 HydrophobicContact CB-CD2 3.58Å; A39-L56 HydrophobicContact CB-CG 4.26Å; L51-L56 HydrophobicContact CB-CD1 4.17Å; L51-L56 HydrophobicContact CD2-CD1 4.37Å; S52-L56 VanDerWaalsContact O-CG 3.3Å; S52-L56 WeakPolarHBondContact O-CG 3.27Å; S52-L56 PolarHBondContact O-N 3.43Å; L56-N59 PolarHBondContact O-N 3.16Å; L56-A60 WeakPolarHBondContact O-CB 3.4Å; L56-A60 PolarHBondContact O-N 3.5Å; L56-I121 HydrophobicContact CB-CG1 4.41Å; L56-I121 HydrophobicContact CB-CG2 3.81Å; L56-I121 HydrophobicContact CD1-CD1 4.05Å
57	Y	83.8	Confident	80.2	Confident	73 Å²	73	72 Å²	72	29%	0.286	37%	0.373	S	S	.	.	H	α-helix	trans	-63	-45	173.7	173.8	-94.2	0	0	0	112.3	F53 E54 E55 N59 A60 Y61 M123	F53-Y57 VanDerWaalsContact O-CB 3.25Å; F53-Y57 WeakPolarHBondContact O-CB 3.14Å; F53-Y57 PolarHBondContact O-N 2.99Å; E54-Y57 PolarHBondContact O-N 3.4Å; E55-Y57 VanDerWaalsContact C-N 3.33Å; E55-Y57 PolarHBondContact O-N 2.94Å; Y57-N59 VanDerWaalsContact C-N 3.3Å; Y57-N59 PolarHBondContact O-N 3.03Å; Y57-A60 PolarHBondContact O-N 3.47Å; Y57-Y61 VanDerWaalsContact O-CB 3.27Å; Y57-Y61 WeakPolarHBondContact O-CB 3.4Å; Y57-Y61 PolarHBondContact O-N 2.64Å; Y57-M123 HydrophobicContact CD2-CB 4.38Å; Y57-M123 HydrophobicContact CE2-CB 3.97Å
58	R	80.9	Confident	79.9	Confident	150 Å²	150	70.9 Å²	70.9	57%	0.566	37%	0.365	S	S	*	.	H	α-helix	trans	-62.3	-37.6	176.8	-74	174.3	-176.7	-167.5	2.5	112.2	E54 E55 Y61 T62	E54-R58 VanDerWaalsContact O-CG 3.3Å; E54-R58 WeakPolarHBondContact O-CG 3.35Å; E54-R58 PolarHBondContact O-N 3.48Å; E54-R58 IonicContact OE1-CZ 2.67Å; E54-R58 IonicContact OE1-NE 3.28Å; E54-R58 IonicContact OE1-NH2 2.74Å; E54-R58 PolarHBondContact OE1-NH2 3.02Å; E55-R58 PolarHBondContact O-N 3.21Å; R58-Y61 WeakPolarHBondContact O-CB 3.35Å; R58-Y61 PolarHBondContact O-N 2.92Å; R58-T62 WeakPolarHBondContact O-CB 3.39Å; R58-T62 PolarHBondContact O-N 3.33Å; R58-T62 PolarHBondContact O-OG1 3.38Å
59	N	83	Confident	79.6	Confident	27 Å²	27	68.4 Å²	68.4	14%	0.144	35%	0.351	C	S	.	.	H	α-helix	trans	-65.7	-47.6	176.2	-78.1	-16.5	0	0	0	111.6	I32 L36 E55 L56 Y57 T62 M63	I32-N59 HydrophobicContact CG2-CB 3.78Å; L36-N59 HydrophobicContact CD2-CB 4.37Å; E55-N59 WeakPolarHBondContact O-CB 3.45Å; E55-N59 VanDerWaalsContact O-CG 3.26Å; E55-N59 PolarHBondContact O-N 3.35Å; E55-N59 PolarHBondContact O-ND2 2.82Å; L56-N59 PolarHBondContact O-N 3.16Å; Y57-N59 VanDerWaalsContact C-N 3.3Å; Y57-N59 PolarHBondContact O-N 3.03Å; N59-T62 PolarHBondContact O-N 3Å; N59-M63 PolarHBondContact O-N 3.37Å; N59-M63 VanDerWaalsContact O-N 3.1Å
60	A	79.8	Confident	79.8	Confident	3 Å²	3	69.1 Å²	69.1	3%	0.025	34%	0.342	C	S	.	.	H	α-helix	trans	-62.6	-41.6	174	0	0	0	0	0	112.3	L36 L56 Y57 T62 M63 V64 L72 L122	L36-A60 HydrophobicContact CD1-CB 4.25Å; L36-A60 HydrophobicContact CD2-CB 4.39Å; L56-A60 WeakPolarHBondContact O-CB 3.4Å; L56-A60 PolarHBondContact O-N 3.5Å; Y57-A60 PolarHBondContact O-N 3.47Å; A60-T62 VanDerWaalsContact C-N 3.34Å; A60-T62 PolarHBondContact O-N 3.44Å; A60-M63 PolarHBondContact O-N 2.96Å; A60-V64 WeakPolarHBondContact O-CG2 3.41Å; A60-V64 PolarHBondContact O-N 2.75Å; A60-V64 VanDerWaalsContact O-N 3.1Å; A60-L72 HydrophobicContact CB-CD2 4.48Å; A60-L122 HydrophobicContact CB-CD2 3.71Å
61	Y	78.7	Confident	80.2	Confident	86 Å²	86	69.6 Å²	69.6	34%	0.337	32%	0.323	S	S	.	.	H	α-helix	trans	-56	-47.7	173.8	173.9	-86.8	0	0	0	111.5	Y57 R58 M63 V64 L65 Y124	Y57-Y61 VanDerWaalsContact O-CB 3.27Å; Y57-Y61 WeakPolarHBondContact O-CB 3.4Å; Y57-Y61 PolarHBondContact O-N 2.64Å; R58-Y61 WeakPolarHBondContact O-CB 3.35Å; R58-Y61 PolarHBondContact O-N 2.92Å; Y61-M63 PolarHBondContact O-N 3.48Å; Y61-V64 PolarHBondContact O-N 2.94Å; Y61-L65 HydrophobicContact CE1-CD2 3.99Å; Y61-L65 WeakPolarHBondContact O-CB 3.44Å; Y61-L65 PolarHBondContact O-N 3.45Å; Y61-Y124 AromaticContact CD2-CD1 3.42Å; Y61-Y124 HydrophobicContact CD2-CD1 3.42Å; Y61-Y124 VanDerWaalsContact CD2-CD1 3.42Å; Y61-Y124 AromaticContact CD2-CD2 3.41Å; Y61-Y124 HydrophobicContact CD2-CD2 3.41Å; Y61-Y124 VanDerWaalsContact CD2-CD2 3.41Å; Y61-Y124 AromaticContact CD2-CE1 3.53Å; Y61-Y124 HydrophobicContact CD2-CE1 3.53Å; Y61-Y124 AromaticContact CD2-CE2 3.55Å; Y61-Y124 HydrophobicContact CD2-CE2 3.55Å; Y61-Y124 AromaticContact CD2-CG 3.35Å; Y61-Y124 HydrophobicContact CD2-CG 3.35Å; Y61-Y124 AromaticContact CD2-CZ 3.58Å; Y61-Y124 HydrophobicContact CE2-CD1 4.01Å; Y61-Y124 AromaticContact CE2-CD2 3.63Å; Y61-Y124 HydrophobicContact CE2-CD2 3.63Å; Y61-Y124 AromaticContact CE2-CE1 3.63Å; Y61-Y124 HydrophobicContact CE2-CE1 3.63Å; Y61-Y124 AromaticContact CE2-CE2 3.24Å; Y61-Y124 HydrophobicContact CE2-CE2 3.24Å; Y61-Y124 AromaticContact CE2-CG 3.99Å; Y61-Y124 HydrophobicContact CE2-CG 3.99Å; Y61-Y124 AromaticContact CE2-CZ 3.22Å; Y61-Y124 HydrophobicContact CG-CD1 4.08Å; Y61-Y124 HydrophobicContact CG-CE1 4.26Å; Y61-Y124 HydrophobicContact CG-CG 4.26Å
62	T	80.8	Confident	80	Confident	40 Å²	40	67.6 Å²	67.6	25%	0.245	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-42.3	-179.5	-56.5	0	0	0	0	111.4	M24 R58 N59 A60 V64 L65 H66	M24-T62 HydrophobicContact SD-CG2 4.05Å; R58-T62 WeakPolarHBondContact O-CB 3.39Å; R58-T62 PolarHBondContact O-N 3.33Å; R58-T62 PolarHBondContact O-OG1 3.38Å; N59-T62 PolarHBondContact O-N 3Å; A60-T62 VanDerWaalsContact C-N 3.34Å; A60-T62 PolarHBondContact O-N 3.44Å; T62-V64 PolarHBondContact O-N 3.14Å; T62-L65 PolarHBondContact O-N 3.2Å; T62-H66 PolarHBondContact O-CD2 3.45Å; T62-H66 VanDerWaalsContact O-CD2 3.25Å; T62-H66 PolarHBondContact O-N 3.44Å; T62-H66 VanDerWaalsContact O-N 3.16Å
63	M	76.6	Confident	79.8	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.7	-42.9	175.9	-75.1	-170.5	65.8	0	0	113	V29 I32 W33 L36 N59 A60 Y61 H68 L72	V29-M63 HydrophobicContact CG1-CE 4.02Å; I32-M63 HydrophobicContact CB-CG 4.39Å; I32-M63 HydrophobicContact CB-SD 4.27Å; I32-M63 HydrophobicContact CG2-CG 3.75Å; I32-M63 HydrophobicContact CG2-SD 3.67Å; W33-M63 HydrophobicContact CB-CE 4.3Å; W33-M63 HydrophobicContact CB-SD 4.45Å; L36-M63 HydrophobicContact CD1-SD 3.74Å; N59-M63 PolarHBondContact O-N 3.37Å; N59-M63 VanDerWaalsContact O-N 3.1Å; A60-M63 PolarHBondContact O-N 2.96Å; Y61-M63 PolarHBondContact O-N 3.48Å; M63-H68 HydrophobicContact CE-CB 4.33Å; M63-H68 WeakPolarHBondContact O-CB 3.37Å; M63-H68 PolarHBondContact O-N 2.86Å; M63-L72 HydrophobicContact CE-CB 4.25Å; M63-L72 HydrophobicContact CE-CD1 4.28Å; M63-L72 HydrophobicContact SD-CD1 4.12Å
64	V	76.4	Confident	79.9	Confident	22 Å²	22	65 Å²	65	13%	0.133	30%	0.299	C	S	.	.	H	α-helix	trans	-69.7	-40.9	179.1	175.9	0	0	0	0	111.1	A60 Y61 T62 H66 K67 L72 Y124 M125	A60-V64 WeakPolarHBondContact O-CG2 3.41Å; A60-V64 PolarHBondContact O-N 2.75Å; A60-V64 VanDerWaalsContact O-N 3.1Å; Y61-V64 PolarHBondContact O-N 2.94Å; T62-V64 PolarHBondContact O-N 3.14Å; V64-H66 VanDerWaalsContact C-N 3.25Å; V64-H66 PolarHBondContact O-N 3.1Å; V64-K67 PolarHBondContact O-N 2.79Å; V64-K67 VanDerWaalsContact O-N 3.14Å; V64-L72 HydrophobicContact CG2-CD2 3.82Å; V64-Y124 HydrophobicContact CB-CD1 3.96Å; V64-Y124 HydrophobicContact CB-CE1 4.2Å; V64-Y124 HydrophobicContact CG1-CD1 3.93Å; V64-Y124 HydrophobicContact CG1-CE1 3.94Å; V64-M125 HydrophobicContact CG2-CB 4.07Å; V64-M125 HydrophobicContact CG2-CG 4.2Å
65	L	77.6	Confident	80.1	Confident	95 Å²	95	59.6 Å²	59.6	50%	0.497	28%	0.275	S	S	.	.	H	α-helix	trans	-58.9	-36.9	177.8	-172.8	70.1	0	0	0	112.1	Y61 T62 K67	Y61-L65 HydrophobicContact CE1-CD2 3.99Å; Y61-L65 WeakPolarHBondContact O-CB 3.44Å; Y61-L65 PolarHBondContact O-N 3.45Å; T62-L65 PolarHBondContact O-N 3.2Å; L65-K67 VanDerWaalsContact C-N 3.32Å; L65-K67 PolarHBondContact O-N 3.39Å
66	H	77.9	Confident	80.2	Confident	69 Å²	69	54.2 Å²	54.2	32%	0.319	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	22.6	179	-73	-75.9	0	0	0	114.3	M24 T62 V64 H68	M24-H66 HydrophobicContact CE-CB 3.76Å; M24-H66 HydrophobicContact CG-CB 3.97Å; M24-H66 HydrophobicContact SD-CB 4.19Å; T62-H66 PolarHBondContact O-CD2 3.45Å; T62-H66 VanDerWaalsContact O-CD2 3.25Å; T62-H66 PolarHBondContact O-N 3.44Å; T62-H66 VanDerWaalsContact O-N 3.16Å; V64-H66 VanDerWaalsContact C-N 3.25Å; V64-H66 PolarHBondContact O-N 3.1Å; H66-H68 VanDerWaalsContact C-N 3.32Å; H66-H68 PolarHBondContact O-CD2 2.92Å; H66-H68 VanDerWaalsContact O-CD2 3.27Å; H66-H68 PolarHBondContact O-N 3.4Å
67	K	76.8	Confident	80.4	Confident	198 Å²	198	60.3 Å²	60.3	86%	0.861	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	20.5	176.3	-54.6	-173.4	176.5	-175.7	0	116.1	V64 L65	V64-K67 PolarHBondContact O-N 2.79Å; V64-K67 VanDerWaalsContact O-N 3.14Å; L65-K67 VanDerWaalsContact C-N 3.32Å; L65-K67 PolarHBondContact O-N 3.39Å
68	H	78.5	Confident	80.6	Confident	55 Å²	55	62.7 Å²	62.7	26%	0.255	29%	0.285	S	S	.	.			trans	-96.3	25.2	175.2	-66.3	-75.7	0	0	0	113.8	V29 M63 H66 E70 K71 L72	V29-H68 HydrophobicContact CG1-CB 4.21Å; M63-H68 HydrophobicContact CE-CB 4.33Å; M63-H68 WeakPolarHBondContact O-CB 3.37Å; M63-H68 PolarHBondContact O-N 2.86Å; H66-H68 VanDerWaalsContact C-N 3.32Å; H66-H68 PolarHBondContact O-CD2 2.92Å; H66-H68 VanDerWaalsContact O-CD2 3.27Å; H66-H68 PolarHBondContact O-N 3.4Å; H68-E70 VanDerWaalsContact C-N 3.3Å; H68-E70 PolarHBondContact O-N 2.98Å; H68-K71 PolarHBondContact O-N 3.31Å; H68-L72 PolarHBondContact O-N 3.05Å
69	G	74.3	Confident	81.1	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-29.1	-179.3	0	0	0	0	0	114.6	L72 Y73 M125 Y153	G69-L72 PolarHBondContact O-N 3.47Å; G69-Y73 PolarHBondContact O-N 3.27Å; G69-M125 WeakPolarHBondContact O-CE 3.5Å; G69-Y153 VanDerWaalsContact C-CE2 3.49Å
70	E	77.7	Confident	81.4	Confident	132 Å²	132	54.5 Å²	54.5	62%	0.617	25%	0.253	S	S	*	.	H	α-helix	trans	-68.5	-44.3	179	-170.1	-177.2	171.9	0	0	112.6	H68 L72 Y73 T74 Y153	H68-E70 VanDerWaalsContact C-N 3.3Å; H68-E70 PolarHBondContact O-N 2.98Å; E70-L72 VanDerWaalsContact C-N 3.28Å; E70-L72 PolarHBondContact O-N 3.48Å; E70-Y73 PolarHBondContact O-N 3.04Å; E70-T74 WeakPolarHBondContact O-CB 3.45Å; E70-T74 PolarHBondContact O-N 3.32Å; E70-T74 PolarHBondContact O-OG1 3.38Å; E70-Y153 WeakPolarHBondContact CA-OH 3.38Å; E70-Y153 HydrophobicContact CB-CE2 4.37Å; E70-Y153 WeakPolarHBondContact CB-OH 3.43Å; E70-Y153 VanDerWaalsContact N-CZ 3.3Å; E70-Y153 PolarHBondContact N-OH 2.83Å
71	K	80.8	Confident	82	Confident	84 Å²	84	55.8 Å²	55.8	37%	0.365	26%	0.261	S	S	.	.	H	α-helix	trans	-62.7	-38.8	175.6	-171.2	170.8	-178.3	170.8	0	111.3	N30 H68 G75	N30-K71 PolarHBondContact OD1-NZ 2.72Å; H68-K71 PolarHBondContact O-N 3.31Å; K71-G75 PolarHBondContact O-N 3.01Å
72	L	80.8	Confident	82.6	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.5	-44.2	176	-171.6	66.4	0	0	0	112.1	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 3.74Å; A60-L72 HydrophobicContact CB-CD2 4.48Å; M63-L72 HydrophobicContact CE-CB 4.25Å; M63-L72 HydrophobicContact CE-CD1 4.28Å; M63-L72 HydrophobicContact SD-CD1 4.12Å; V64-L72 HydrophobicContact CG2-CD2 3.82Å; H68-L72 PolarHBondContact O-N 3.05Å; G69-L72 PolarHBondContact O-N 3.47Å; E70-L72 VanDerWaalsContact C-N 3.28Å; E70-L72 PolarHBondContact O-N 3.48Å; L72-L76 VanDerWaalsContact O-CB 3.25Å; L72-L76 WeakPolarHBondContact O-CB 3.23Å; L72-L76 PolarHBondContact O-N 2.94Å; L72-L122 HydrophobicContact CD1-CD2 4.18Å; L72-L122 HydrophobicContact CD2-CD2 4.04Å; L72-L122 HydrophobicContact CG-CD2 4.28Å; L72-M125 HydrophobicContact CD2-SD 3.9Å; L72-M125 HydrophobicContact CG-SD 4.2Å
73	Y	81.1	Confident	83	Confident	24 Å²	24	56 Å²	56	9%	0.094	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-49.1	177.5	-163.4	-107	0	0	0	112.4	G69 E70 L76 R77 M125 V159 E160 L165	G69-Y73 PolarHBondContact O-N 3.27Å; E70-Y73 PolarHBondContact O-N 3.04Å; Y73-L76 PolarHBondContact O-N 3.38Å; Y73-R77 PolarHBondContact O-N 3.49Å; Y73-M125 VanDerWaalsContact CB-CE 3.45Å; Y73-M125 HydrophobicContact CD2-CE 3.43Å; Y73-M125 VanDerWaalsContact CD2-CE 3.43Å; Y73-M125 HydrophobicContact CG-CE 3.87Å; Y73-V159 HydrophobicContact CE1-CB 4.15Å; Y73-V159 HydrophobicContact CE1-CG1 4.41Å; Y73-V159 HydrophobicContact CE2-CB 4.42Å; Y73-V159 HydrophobicContact CE2-CG2 4.24Å; Y73-E160 VanDerWaalsContact CE2-O 3.25Å; Y73-E160 WeakPolarHBondContact CE2-O 3.23Å; Y73-E160 PolarHBondContact OH-N 3.02Å; Y73-E160 PolarHBondContact OH-O 3.13Å; Y73-L165 HydrophobicContact CD2-CD2 4.4Å; Y73-L165 HydrophobicContact CE1-CD2 4.16Å; Y73-L165 HydrophobicContact CE2-CD2 3.84Å
74	T	83.7	Confident	83.7	Confident	60 Å²	60	56 Å²	56	37%	0.368	26%	0.262	S	S	.	.	H	α-helix	trans	-69.1	-44.1	-175.9	-50.8	0	0	0	0	110.3	E70 L76 R77 E78	E70-T74 WeakPolarHBondContact O-CB 3.45Å; E70-T74 PolarHBondContact O-N 3.32Å; E70-T74 PolarHBondContact O-OG1 3.38Å; T74-L76 VanDerWaalsContact C-N 3.34Å; T74-L76 PolarHBondContact O-N 2.96Å; T74-R77 WeakPolarHBondContact O-CB 3.41Å; T74-R77 PolarHBondContact O-N 3.18Å; T74-E78 WeakPolarHBondContact O-CG 3.38Å; T74-E78 PolarHBondContact O-N 2.94Å
75	G	84.6	Confident	84.4	Confident	5 Å²	5	57.3 Å²	57.3	5%	0.052	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-40.3	174.6	0	0	0	0	0	112.6	W33 K71 E78 V79	W33-G75 WeakPolarHBondContact CZ2-O 3.31Å; K71-G75 PolarHBondContact O-N 3.01Å; G75-E78 PolarHBondContact O-N 3Å; G75-V79 VanDerWaalsContact O-CG2 3.24Å; G75-V79 WeakPolarHBondContact O-CG2 3.47Å; G75-V79 PolarHBondContact O-N 3.04Å
76	L	86.6	Confident	85	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-47.9	174.1	171.7	68.9	0	0	0	111	W33 I40 L72 Y73 T74 E78 V79 V80 I118 L122 V162 L165	W33-L76 VanDerWaalsContact CH2-N 3.28Å; I40-L76 HydrophobicContact CD1-CD1 3.75Å; I40-L76 HydrophobicContact CG1-CD1 4.45Å; I40-L76 HydrophobicContact CG2-CD1 4.36Å; L72-L76 VanDerWaalsContact O-CB 3.25Å; L72-L76 WeakPolarHBondContact O-CB 3.23Å; L72-L76 PolarHBondContact O-N 2.94Å; Y73-L76 PolarHBondContact O-N 3.38Å; T74-L76 VanDerWaalsContact C-N 3.34Å; T74-L76 PolarHBondContact O-N 2.96Å; L76-E78 VanDerWaalsContact C-N 3.28Å; L76-E78 PolarHBondContact O-N 3.38Å; L76-V79 PolarHBondContact O-N 3.41Å; L76-V80 HydrophobicContact CD1-CG2 3.79Å; L76-V80 HydrophobicContact CG-CG2 4.32Å; L76-V80 WeakPolarHBondContact O-CB 3.24Å; L76-V80 VanDerWaalsContact O-CG2 3.31Å; L76-V80 WeakPolarHBondContact O-CG2 3.45Å; L76-V80 PolarHBondContact O-N 3.33Å; L76-I118 HydrophobicContact CD1-CG2 3.61Å; L76-I118 HydrophobicContact CD2-CG2 4.37Å; L76-L122 HydrophobicContact CD1-CD1 4.25Å; L76-L122 HydrophobicContact CD2-CD1 3.58Å; L76-L122 HydrophobicContact CG-CD1 4.37Å; L76-V162 HydrophobicContact CD2-CB 4.36Å; L76-V162 HydrophobicContact CD2-CG1 3.76Å; L76-V162 HydrophobicContact CD2-CG2 3.91Å; L76-L165 HydrophobicContact CD2-CD2 4.41Å
77	R	87.4	Confident	85.5	Confident	143 Å²	143	58.5 Å²	58.5	54%	0.54	27%	0.272	S	S	.	.	H	α-helix	trans	-55.8	-45.6	178	-178.7	177.4	178.7	177.3	0.2	111	Y73 T74 T81 L165 I169	Y73-R77 PolarHBondContact O-N 3.49Å; T74-R77 WeakPolarHBondContact O-CB 3.41Å; T74-R77 PolarHBondContact O-N 3.18Å; R77-T81 WeakPolarHBondContact O-CB 3.37Å; R77-T81 PolarHBondContact O-N 2.93Å; R77-T81 PolarHBondContact O-OG1 3.02Å; R77-L165 HydrophobicContact CB-CD2 4.16Å; R77-L165 HydrophobicContact CG-CD1 4.32Å; R77-I169 HydrophobicContact CG-CD1 4.02Å
78	E	89.4	Confident	86.1	Confident	122 Å²	122	50 Å²	50	57%	0.57	24%	0.237	S	C	*	.	H	α-helix	trans	-62.2	-50.4	178.5	-73.5	170.9	-175.9	0	0	111.9	T74 G75 L76 V80 T81 E82	T74-E78 WeakPolarHBondContact O-CG 3.38Å; T74-E78 PolarHBondContact O-N 2.94Å; G75-E78 PolarHBondContact O-N 3Å; L76-E78 VanDerWaalsContact C-N 3.28Å; L76-E78 PolarHBondContact O-N 3.38Å; E78-V80 PolarHBondContact O-N 2.99Å; E78-T81 PolarHBondContact O-N 3.28Å; E78-E82 WeakPolarHBondContact O-CB 3.27Å; E78-E82 PolarHBondContact O-N 3.35Å
79	V	90.2	Very high	86.7	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.024	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-42.6	-178.4	175.1	0	0	0	0	111.5	W33 K37 I40 Q41 G75 L76 H83	W33-V79 HydrophobicContact CH2-CG2 4.41Å; W33-V79 HydrophobicContact CZ2-CG2 4.08Å; K37-V79 HydrophobicContact CB-CG2 4.49Å; K37-V79 HydrophobicContact CD-CG2 3.93Å; K37-V79 HydrophobicContact CG-CG2 3.73Å; I40-V79 HydrophobicContact CB-CG1 4.37Å; I40-V79 HydrophobicContact CG2-CG1 3.73Å; Q41-V79 HydrophobicContact CG-CG1 3.89Å; G75-V79 VanDerWaalsContact O-CG2 3.24Å; G75-V79 WeakPolarHBondContact O-CG2 3.47Å; G75-V79 PolarHBondContact O-N 3.04Å; L76-V79 PolarHBondContact O-N 3.41Å; V79-H83 PolarHBondContact O-N 3.34Å; V79-H83 VanDerWaalsContact O-N 3.13Å
80	V	90.2	Very high	87.5	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-41.4	176.1	176.2	0	0	0	0	111.4	L76 E78 L84 M115 I169	L76-V80 HydrophobicContact CD1-CG2 3.79Å; L76-V80 HydrophobicContact CG-CG2 4.32Å; L76-V80 WeakPolarHBondContact O-CB 3.24Å; L76-V80 VanDerWaalsContact O-CG2 3.31Å; L76-V80 WeakPolarHBondContact O-CG2 3.45Å; L76-V80 PolarHBondContact O-N 3.33Å; E78-V80 PolarHBondContact O-N 2.99Å; V80-L84 HydrophobicContact CG1-CD1 3.87Å; V80-L84 HydrophobicContact CG1-CG 4.42Å; V80-L84 WeakPolarHBondContact O-CB 3.26Å; V80-L84 VanDerWaalsContact O-CG 3.26Å; V80-L84 WeakPolarHBondContact O-CG 3.35Å; V80-L84 PolarHBondContact O-N 3.43Å; V80-M115 HydrophobicContact CG1-SD 4.35Å; V80-M115 HydrophobicContact CG2-SD 4.28Å; V80-I169 HydrophobicContact CB-CD1 4.08Å; V80-I169 HydrophobicContact CG1-CB 4.49Å; V80-I169 HydrophobicContact CG1-CD1 3.88Å; V80-I169 HydrophobicContact CG1-CG2 4.41Å
81	T	91.6	Very high	87.9	Confident	30 Å²	30	51.7 Å²	51.7	18%	0.184	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-46.4	177.4	-59.9	0	0	0	0	111.5	R77 E78 H83 L84 I85 I169 Q173	R77-T81 WeakPolarHBondContact O-CB 3.37Å; R77-T81 PolarHBondContact O-N 2.93Å; R77-T81 PolarHBondContact O-OG1 3.02Å; E78-T81 PolarHBondContact O-N 3.28Å; T81-H83 PolarHBondContact O-N 2.89Å; T81-L84 PolarHBondContact O-N 3.15Å; T81-I85 HydrophobicContact CG2-CD1 3.56Å; T81-I85 HydrophobicContact CG2-CG1 4.26Å; T81-I85 WeakPolarHBondContact O-CB 3.37Å; T81-I85 VanDerWaalsContact O-CG1 3.26Å; T81-I85 WeakPolarHBondContact O-CG1 3.47Å; T81-I85 PolarHBondContact O-N 2.73Å; T81-I169 WeakPolarHBondContact OG1-CG2 3.3Å; T81-Q173 HydrophobicContact CG2-CG 4.31Å
82	E	90.9	Very high	88.4	Confident	96 Å²	96	47.8 Å²	47.8	45%	0.449	23%	0.229	S	C	.	.	H	α-helix	trans	-60.5	-45.1	179.6	-171.6	-178	-177.9	0	0	111.5	E78 I85 N86	E78-E82 WeakPolarHBondContact O-CB 3.27Å; E78-E82 PolarHBondContact O-N 3.35Å; E82-I85 PolarHBondContact O-N 3.49Å; E82-N86 VanDerWaalsContact CG-ND2 3.34Å; E82-N86 WeakPolarHBondContact CG-ND2 3.43Å; E82-N86 VanDerWaalsContact O-CB 3.31Å; E82-N86 WeakPolarHBondContact O-CB 3.33Å; E82-N86 PolarHBondContact O-N 3.11Å
83	H	90.8	Very high	88.8	Confident	36 Å²	36	50.1 Å²	50.1	17%	0.167	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-44.7	176.1	179.4	77.5	0	0	0	112.6	V79 T81 K87 V88	V79-H83 PolarHBondContact O-N 3.34Å; V79-H83 VanDerWaalsContact O-N 3.13Å; T81-H83 PolarHBondContact O-N 2.89Å; H83-K87 WeakPolarHBondContact O-CB 3.44Å; H83-K87 PolarHBondContact O-N 2.86Å; H83-K87 VanDerWaalsContact O-N 3.16Å; H83-V88 PolarHBondContact O-N 2.87Å
84	L	91.2	Very high	89.2	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.271	C	S	.	.	I	π-helix	trans	-67.2	-35.9	-179.5	-72	174.8	0	0	0	112.4	V80 T81 V88 R89 I169 F170 V174	V80-L84 HydrophobicContact CG1-CD1 3.87Å; V80-L84 HydrophobicContact CG1-CG 4.42Å; V80-L84 WeakPolarHBondContact O-CB 3.26Å; V80-L84 VanDerWaalsContact O-CG 3.26Å; V80-L84 WeakPolarHBondContact O-CG 3.35Å; V80-L84 PolarHBondContact O-N 3.43Å; T81-L84 PolarHBondContact O-N 3.15Å; L84-V88 HydrophobicContact CD2-CB 3.99Å; L84-V88 HydrophobicContact CD2-CG1 4.19Å; L84-V88 HydrophobicContact CD2-CG2 3.9Å; L84-R89 VanDerWaalsContact O-CB 3.31Å; L84-R89 WeakPolarHBondContact O-CB 3.26Å; L84-R89 PolarHBondContact O-N 3.47Å; L84-I169 HydrophobicContact CD1-CB 4.04Å; L84-I169 HydrophobicContact CD1-CG2 3.52Å; L84-F170 HydrophobicContact CD1-CB 4.35Å; L84-F170 HydrophobicContact CD2-CD2 3.78Å; L84-F170 HydrophobicContact CD2-CE2 4.33Å; L84-V174 HydrophobicContact CB-CG2 4.24Å; L84-V174 HydrophobicContact CD2-CG2 4.17Å
85	I	90.8	Very high	89.5	Confident	48 Å²	48	53.1 Å²	53.1	25%	0.246	26%	0.258	C	S	.	.	I	π-helix	trans	-75	-51.1	178.5	-67.2	175.5	0	0	0	111.5	T81 E82 Q173	T81-I85 HydrophobicContact CG2-CD1 3.56Å; T81-I85 HydrophobicContact CG2-CG1 4.26Å; T81-I85 WeakPolarHBondContact O-CB 3.37Å; T81-I85 VanDerWaalsContact O-CG1 3.26Å; T81-I85 WeakPolarHBondContact O-CG1 3.47Å; T81-I85 PolarHBondContact O-N 2.73Å; E82-I85 PolarHBondContact O-N 3.49Å; I85-Q173 HydrophobicContact CG1-CB 4.31Å; I85-Q173 HydrophobicContact CG1-CG 4.44Å
86	N	89.4	Confident	89.6	Confident	92 Å²	92	54.5 Å²	54.5	49%	0.492	26%	0.264	S	S	.	.	I	π-helix	trans	-83.8	-15.7	-167.9	-65.3	-16.9	0	0	0	113.8	E82	E82-N86 VanDerWaalsContact CG-ND2 3.34Å; E82-N86 WeakPolarHBondContact CG-ND2 3.43Å; E82-N86 VanDerWaalsContact O-CB 3.31Å; E82-N86 WeakPolarHBondContact O-CB 3.33Å; E82-N86 PolarHBondContact O-N 3.11Å
87	K	88.9	Confident	89.2	Confident	98 Å²	98	62.1 Å²	62.1	43%	0.426	30%	0.304	S	S	.	.	I	π-helix	trans	-125.2	-64.7	-178.5	-169.8	-179.3	-179.7	-174.5	0	111.6	H83 R89 E90 D91	H83-K87 WeakPolarHBondContact O-CB 3.44Å; H83-K87 PolarHBondContact O-N 2.86Å; H83-K87 VanDerWaalsContact O-N 3.16Å; K87-R89 PolarHBondContact O-N 3.37Å; K87-E90 PolarHBondContact O-N 3.48Å; K87-D91 PolarHBondContact O-N 3.33Å
88	V	89.6	Confident	89	Confident	18 Å²	18	60.8 Å²	60.8	11%	0.109	31%	0.308	C	S	.	.	I	π-helix	trans	-63.4	-44.4	-170.9	179.9	0	0	0	0	112.1	H83 L84 D91 V92 A107 F170 V174	H83-V88 PolarHBondContact O-N 2.87Å; L84-V88 HydrophobicContact CD2-CB 3.99Å; L84-V88 HydrophobicContact CD2-CG1 4.19Å; L84-V88 HydrophobicContact CD2-CG2 3.9Å; V88-D91 PolarHBondContact O-N 3.21Å; V88-V92 VanDerWaalsContact O-CG2 3.27Å; V88-V92 WeakPolarHBondContact O-CG2 3.32Å; V88-V92 PolarHBondContact O-N 2.86Å; V88-A107 HydrophobicContact CG1-CB 3.84Å; V88-F170 HydrophobicContact CG1-CE2 4.25Å; V88-V174 HydrophobicContact CG1-CG1 4.45Å; V88-V174 HydrophobicContact CG1-CG2 4.2Å
89	R	91.1	Very high	88.7	Confident	32 Å²	32	59.4 Å²	59.4	12%	0.121	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-44.5	176.5	-178.2	-168	-68.7	169.9	-2.2	111.7	L84 K87 V92 L93 Q173 Y177 I180	L84-R89 VanDerWaalsContact O-CB 3.31Å; L84-R89 WeakPolarHBondContact O-CB 3.26Å; L84-R89 PolarHBondContact O-N 3.47Å; K87-R89 PolarHBondContact O-N 3.37Å; R89-V92 PolarHBondContact O-N 3.3Å; R89-L93 HydrophobicContact CG-CD1 4.01Å; R89-L93 HydrophobicContact CG-CG 4.35Å; R89-L93 WeakPolarHBondContact O-CB 3.45Å; R89-L93 VanDerWaalsContact O-CG 3.28Å; R89-L93 WeakPolarHBondContact O-CG 3.31Å; R89-L93 PolarHBondContact O-N 2.89Å; R89-Q173 PolarHBondContact NE-O 3.3Å; R89-Q173 PolarHBondContact NH2-O 2.97Å; R89-Y177 HydrophobicContact CG-CD1 4.48Å; R89-I180 HydrophobicContact CG-CD1 4.13Å
90	E	89.8	Confident	88.8	Confident	111 Å²	111	59.7 Å²	59.7	52%	0.519	31%	0.306	S	S	.	.	H	α-helix	trans	-63.7	-43.4	179.8	-66.2	-163.1	163.1	0	0	111.8	K87 V92 L93 N94	K87-E90 PolarHBondContact O-N 3.48Å; E90-V92 VanDerWaalsContact C-N 3.32Å; E90-V92 PolarHBondContact O-N 3.02Å; E90-L93 PolarHBondContact O-N 2.97Å; E90-N94 WeakPolarHBondContact O-CB 3.28Å; E90-N94 PolarHBondContact O-N 3.46Å; E90-N94 PolarHBondContact O-ND2 3.34Å; E90-N94 VanDerWaalsContact O-ND2 3.15Å
91	D	88	Confident	88.8	Confident	81 Å²	81	61 Å²	61	43%	0.433	31%	0.313	S	S	.	.	H	α-helix	trans	-60	-42.5	175.9	-70.3	-23.4	0	0	0	111.6	K87 V88 N94 S95	K87-D91 PolarHBondContact O-N 3.33Å; V88-D91 PolarHBondContact O-N 3.21Å; D91-N94 PolarHBondContact O-N 3.44Å; D91-S95 PolarHBondContact O-N 3.37Å; D91-S95 PolarHBondContact O-OG 3.32Å
92	V	90.3	Very high	88.8	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.006	33%	0.334	C	S	.	.	H	α-helix	trans	-67	-40.8	175.5	175.3	0	0	0	0	111.6	V88 R89 E90 N94 S95 L96 F100 L104 A107 V174 I180	V88-V92 VanDerWaalsContact O-CG2 3.27Å; V88-V92 WeakPolarHBondContact O-CG2 3.32Å; V88-V92 PolarHBondContact O-N 2.86Å; R89-V92 PolarHBondContact O-N 3.3Å; E90-V92 VanDerWaalsContact C-N 3.32Å; E90-V92 PolarHBondContact O-N 3.02Å; V92-N94 PolarHBondContact O-N 3.11Å; V92-S95 PolarHBondContact O-N 3.38Å; V92-S95 PolarHBondContact O-OG 2.89Å; V92-L96 PolarHBondContact O-N 2.91Å; V92-F100 HydrophobicContact CG1-CD2 4.14Å; V92-F100 HydrophobicContact CG1-CE2 3.55Å; V92-L104 HydrophobicContact CG1-CD1 4.25Å; V92-L104 HydrophobicContact CG2-CD1 4.13Å; V92-A107 HydrophobicContact CG2-CB 4.49Å; V92-V174 HydrophobicContact CG2-CG1 4.34Å; V92-I180 HydrophobicContact CB-CD1 4.14Å; V92-I180 HydrophobicContact CG1-CD1 3.67Å; V92-I180 HydrophobicContact CG1-CG1 4.01Å; V92-I180 HydrophobicContact CG1-CG2 4.04Å
93	L	89.4	Confident	88.8	Confident	50 Å²	50	63.6 Å²	63.6	26%	0.262	33%	0.326	S	S	.	.	H	α-helix	trans	-63.6	-40.7	176.4	-73.9	172.8	0	0	0	112.3	R89 E90 S95 L96 Y177 C179 I180	R89-L93 HydrophobicContact CG-CD1 4.01Å; R89-L93 HydrophobicContact CG-CG 4.35Å; R89-L93 WeakPolarHBondContact O-CB 3.45Å; R89-L93 VanDerWaalsContact O-CG 3.28Å; R89-L93 WeakPolarHBondContact O-CG 3.31Å; R89-L93 PolarHBondContact O-N 2.89Å; E90-L93 PolarHBondContact O-N 2.97Å; L93-S95 PolarHBondContact O-N 3.41Å; L93-L96 HydrophobicContact CD2-CD1 3.92Å; L93-L96 WeakPolarHBondContact O-CD1 3.24Å; L93-L96 VanDerWaalsContact O-CG 3.27Å; L93-L96 WeakPolarHBondContact O-CG 3.42Å; L93-L96 PolarHBondContact O-N 2.99Å; L93-Y177 HydrophobicContact CD1-CE1 4.08Å; L93-Y177 HydrophobicContact CD2-CD1 4.23Å; L93-Y177 HydrophobicContact CD2-CE1 4.04Å; L93-C179 HydrophobicContact CD2-CB 4.39Å; L93-I180 HydrophobicContact CD2-CD1 4.09Å; L93-I180 HydrophobicContact CD2-CG1 3.8Å; L93-I180 HydrophobicContact CG-CD1 4.19Å; L93-I180 HydrophobicContact CG-CG1 4.43Å
94	N	89	Confident	88.9	Confident	135 Å²	135	62 Å²	62	72%	0.722	32%	0.318	S	S	*	.	H	α-helix	trans	-66.8	-23.8	178.2	-70.3	-30.5	0	0	0	112.6	E90 D91 V92	E90-N94 WeakPolarHBondContact O-CB 3.28Å; E90-N94 PolarHBondContact O-N 3.46Å; E90-N94 PolarHBondContact O-ND2 3.34Å; E90-N94 VanDerWaalsContact O-ND2 3.15Å; D91-N94 PolarHBondContact O-N 3.44Å; V92-N94 PolarHBondContact O-N 3.11Å
95	S	90.1	Very high	88.9	Confident	11 Å²	11	64 Å²	64	8%	0.077	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	1.9	-179.9	62	0	0	0	0	114.8	D91 V92 L93 N97 N98 F100 T103	D91-S95 PolarHBondContact O-N 3.37Å; D91-S95 PolarHBondContact O-OG 3.32Å; V92-S95 PolarHBondContact O-N 3.38Å; V92-S95 PolarHBondContact O-OG 2.89Å; L93-S95 PolarHBondContact O-N 3.41Å; S95-N97 PolarHBondContact O-N 3.44Å; S95-N97 VanDerWaalsContact O-N 3.12Å; S95-N98 CarbonylContact O-C 3.3Å; S95-N98 VanDerWaalsContact O-C 3.3Å; S95-N98 PolarHBondContact O-N 3.28Å; S95-F100 WeakPolarHBondContact O-CA 3.3Å; S95-F100 WeakPolarHBondContact O-CB 3.33Å; S95-F100 PolarHBondContact O-N 2.93Å; S95-T103 WeakPolarHBondContact OG-CB 3.26Å; S95-T103 WeakPolarHBondContact OG-CG2 3.3Å
96	L	86.1	Confident	89	Confident	35 Å²	35	66.3 Å²	66.3	18%	0.183	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-41.1	-178.7	-72.8	169.8	0	0	0	112.8	V92 L93 F100 H183	V92-L96 PolarHBondContact O-N 2.91Å; L93-L96 HydrophobicContact CD2-CD1 3.92Å; L93-L96 WeakPolarHBondContact O-CD1 3.24Å; L93-L96 VanDerWaalsContact O-CG 3.27Å; L93-L96 WeakPolarHBondContact O-CG 3.42Å; L93-L96 PolarHBondContact O-N 2.99Å; L96-F100 HydrophobicContact CD2-CD2 3.75Å; L96-F100 HydrophobicContact CD2-CE2 3.6Å; L96-F100 HydrophobicContact CD2-CZ 4.38Å; L96-F100 HydrophobicContact CG-CD2 4.49Å; L96-H183 HydrophobicContact CD2-CB 3.88Å; L96-H183 PolarHBondContact O-NE2 2.91Å
97	N	79.6	Confident	89.1	Confident	160 Å²	160	62.7 Å²	62.7	86%	0.856	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.8	-177.5	-63.5	-35.9	0	0	0	114.1	S95	S95-N97 PolarHBondContact O-N 3.44Å; S95-N97 VanDerWaalsContact O-N 3.12Å
98	N	81.7	Confident	89.3	Confident	115 Å²	115	58.3 Å²	58.3	62%	0.615	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-157.5	125.9	-179.1	-159.2	5	0	0	0	112.4	S95 F100	S95-N98 CarbonylContact O-C 3.3Å; S95-N98 VanDerWaalsContact O-C 3.3Å; S95-N98 PolarHBondContact O-N 3.28Å; N98-F100 PolarHBondContact O-N 3.45Å
99	N	85.1	Confident	89.4	Confident	94 Å²	94	60.5 Å²	60.5	50%	0.503	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	22.5	-178.7	-56.5	-39.9	0	0	0	115.5	L101 Q102 T103	N99-L101 PolarHBondContact O-N 3.3Å; N99-Q102 HydrophobicContact CB-CB 4.44Å; N99-Q102 WeakPolarHBondContact O-CB 3.44Å; N99-Q102 PolarHBondContact O-N 2.99Å; N99-Q102 VanDerWaalsContact O-N 3.11Å; N99-T103 PolarHBondContact O-N 2.96Å; N99-T103 PolarHBondContact O-OG1 3.02Å
100	F	91.6	Very high	89.5	Confident	10 Å²	10	61.3 Å²	61.3	4%	0.044	32%	0.32	C	S	.	.	H	α-helix	trans	-47.4	-56.4	-178.4	174	-108.7	0	0	0	114.3	V92 S95 L96 N98 Q102 T103 L104 I180 H183 L184	V92-F100 HydrophobicContact CG1-CD2 4.14Å; V92-F100 HydrophobicContact CG1-CE2 3.55Å; S95-F100 WeakPolarHBondContact O-CA 3.3Å; S95-F100 WeakPolarHBondContact O-CB 3.33Å; S95-F100 PolarHBondContact O-N 2.93Å; L96-F100 HydrophobicContact CD2-CD2 3.75Å; L96-F100 HydrophobicContact CD2-CE2 3.6Å; L96-F100 HydrophobicContact CD2-CZ 4.38Å; L96-F100 HydrophobicContact CG-CD2 4.49Å; N98-F100 PolarHBondContact O-N 3.45Å; F100-Q102 VanDerWaalsContact C-N 3.28Å; F100-Q102 PolarHBondContact O-N 3.34Å; F100-T103 PolarHBondContact O-N 3.42Å; F100-L104 HydrophobicContact CE1-CD2 4.19Å; F100-L104 HydrophobicContact CZ-CD2 3.91Å; F100-L104 WeakPolarHBondContact O-CB 3.43Å; F100-L104 PolarHBondContact O-N 2.95Å; F100-I180 HydrophobicContact CE2-CG2 4.14Å; F100-I180 HydrophobicContact CZ-CG2 3.97Å; F100-H183 AromaticContact CD1-CD2 3.75Å; F100-H183 AromaticContact CE1-CD2 3.91Å; F100-H183 AromaticContact CG-CD2 3.89Å; F100-L184 HydrophobicContact CE1-CB 3.89Å; F100-L184 HydrophobicContact CE1-CD1 3.88Å; F100-L184 HydrophobicContact CZ-CB 4.03Å
101	L	90.4	Very high	89.6	Confident	29 Å²	29	56.5 Å²	56.5	15%	0.152	30%	0.297	C	S	.	.	H	α-helix	trans	-63.3	-34.6	-177.9	-69.1	-179.7	0	0	0	112.4	N99 N105 L184 T187 L188 M191 A205	N99-L101 PolarHBondContact O-N 3.3Å; L101-N105 WeakPolarHBondContact O-CB 3.32Å; L101-N105 PolarHBondContact O-N 2.96Å; L101-L184 HydrophobicContact CD2-CD1 3.52Å; L101-T187 HydrophobicContact CD1-CG2 3.95Å; L101-T187 HydrophobicContact CD2-CG2 4.49Å; L101-T187 HydrophobicContact CG-CG2 4.12Å; L101-L188 HydrophobicContact CD1-CD2 4.31Å; L101-L188 HydrophobicContact CD2-CD2 4.28Å; L101-M191 HydrophobicContact CD1-CE 4.49Å; L101-M191 HydrophobicContact CD1-SD 3.57Å; L101-M191 VanDerWaalsContact CD1-SD 3.57Å; L101-A205 HydrophobicContact CD1-CB 4.05Å
102	Q	90.6	Very high	89.7	Confident	136 Å²	136	54.4 Å²	54.4	64%	0.636	29%	0.285	S	S	*	.	H	α-helix	trans	-69.5	-47.4	177.4	-173.5	-179	4.4	0	0	110.9	N99 F100 N105 Q106	N99-Q102 HydrophobicContact CB-CB 4.44Å; N99-Q102 WeakPolarHBondContact O-CB 3.44Å; N99-Q102 PolarHBondContact O-N 2.99Å; N99-Q102 VanDerWaalsContact O-N 3.11Å; F100-Q102 VanDerWaalsContact C-N 3.28Å; F100-Q102 PolarHBondContact O-N 3.34Å; Q102-N105 PolarHBondContact O-N 3.39Å; Q102-Q106 WeakPolarHBondContact O-CB 3.49Å; Q102-Q106 PolarHBondContact O-N 2.99Å
103	T	91.9	Very high	89.6	Confident	44 Å²	44	58.3 Å²	58.3	27%	0.27	31%	0.309	S	S	.	.	H	α-helix	trans	-62.5	-43.8	177.3	-59.6	0	0	0	0	111.4	S95 N99 F100 Q106 A107	S95-T103 WeakPolarHBondContact OG-CB 3.26Å; S95-T103 WeakPolarHBondContact OG-CG2 3.3Å; N99-T103 PolarHBondContact O-N 2.96Å; N99-T103 PolarHBondContact O-OG1 3.02Å; F100-T103 PolarHBondContact O-N 3.42Å; T103-Q106 PolarHBondContact O-N 3.26Å; T103-A107 WeakPolarHBondContact O-CB 3.45Å; T103-A107 PolarHBondContact O-N 3.38Å
104	L	92.3	Very high	89.6	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.016	30%	0.3	C	S	.	.	H	α-helix	trans	-64.1	-44.5	177.6	-178.3	61.1	0	0	0	111.9	V92 F100 A107 W108 F170 V174 L184 M212	V92-L104 HydrophobicContact CG1-CD1 4.25Å; V92-L104 HydrophobicContact CG2-CD1 4.13Å; F100-L104 HydrophobicContact CE1-CD2 4.19Å; F100-L104 HydrophobicContact CZ-CD2 3.91Å; F100-L104 WeakPolarHBondContact O-CB 3.43Å; F100-L104 PolarHBondContact O-N 2.95Å; L104-A107 PolarHBondContact O-N 3.38Å; L104-W108 WeakPolarHBondContact O-CB 3.33Å; L104-W108 PolarHBondContact O-N 3.34Å; L104-F170 HydrophobicContact CD1-CZ 4.37Å; L104-V174 HydrophobicContact CD1-CG1 4.22Å; L104-L184 HydrophobicContact CD2-CD1 3.99Å; L104-L184 HydrophobicContact CD2-CD2 4.1Å; L104-M212 HydrophobicContact CD2-CE 4Å; L104-M212 HydrophobicContact CG-CE 4.33Å; L104-M212 HydrophobicContact CG-SD 4.4Å
105	N	92.2	Very high	89.6	Confident	40 Å²	40	49.9 Å²	49.9	21%	0.214	27%	0.265	C	S	.	.	H	α-helix	trans	-65.6	-39.4	177.4	-171.5	31.6	0	0	0	111.5	L101 Q102 W108 N109 N208	L101-N105 WeakPolarHBondContact O-CB 3.32Å; L101-N105 PolarHBondContact O-N 2.96Å; Q102-N105 PolarHBondContact O-N 3.39Å; N105-W108 PolarHBondContact O-N 2.86Å; N105-N109 PolarHBondContact O-N 3.32Å; N105-N109 PolarHBondContact O-ND2 2.77Å; N105-N109 PolarHBondContact OD1-ND2 3.2Å; N105-N208 PolarHBondContact ND2-ND2 2.87Å
106	Q	91.8	Very high	89.4	Confident	98 Å²	98	51.8 Å²	51.8	46%	0.458	28%	0.276	S	S	.	.	H	α-helix	trans	-63.3	-48	175	-174.4	60	51.2	0	0	111.2	Q102 T103 W108 N109 D110	Q102-Q106 WeakPolarHBondContact O-CB 3.49Å; Q102-Q106 PolarHBondContact O-N 2.99Å; T103-Q106 PolarHBondContact O-N 3.26Å; Q106-W108 VanDerWaalsContact C-N 3.27Å; Q106-W108 PolarHBondContact O-N 3.5Å; Q106-N109 PolarHBondContact O-N 3.07Å; Q106-D110 VanDerWaalsContact NE2-CG 3.32Å; Q106-D110 PolarHBondContact NE2-OD1 2.99Å; Q106-D110 PolarHBondContact NE2-OD2 3.37Å; Q106-D110 WeakPolarHBondContact O-CB 3.16Å; Q106-D110 PolarHBondContact O-N 2.86Å
107	A	91.8	Very high	89.3	Confident	16 Å²	16	51.8 Å²	51.8	13%	0.132	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-39.9	176.3	0	0	0	0	0	112.3	V88 V92 T103 L104 H111	V88-A107 HydrophobicContact CG1-CB 3.84Å; V92-A107 HydrophobicContact CG2-CB 4.49Å; T103-A107 WeakPolarHBondContact O-CB 3.45Å; T103-A107 PolarHBondContact O-N 3.38Å; L104-A107 PolarHBondContact O-N 3.38Å; A107-H111 VanDerWaalsContact O-CB 3.27Å; A107-H111 WeakPolarHBondContact O-CB 3.43Å; A107-H111 PolarHBondContact O-N 3.01Å
108	W	93.7	Very high	89.6	Confident	6 Å²	6	44.2 Å²	44.2	2%	0.023	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-49.9	175.2	170.4	-115.2	0	0	0	112.7	L104 N105 Q106 D110 H111 Q112 L167 F170 M212 I215 L216	L104-W108 WeakPolarHBondContact O-CB 3.33Å; L104-W108 PolarHBondContact O-N 3.34Å; N105-W108 PolarHBondContact O-N 2.86Å; Q106-W108 VanDerWaalsContact C-N 3.27Å; Q106-W108 PolarHBondContact O-N 3.5Å; W108-D110 VanDerWaalsContact C-N 3.29Å; W108-D110 PolarHBondContact O-N 3.08Å; W108-H111 PolarHBondContact O-N 3.5Å; W108-Q112 HydrophobicContact CD2-CG 3.95Å; W108-Q112 HydrophobicContact CE3-CG 4.17Å; W108-Q112 HydrophobicContact CH2-CG 3.96Å; W108-Q112 HydrophobicContact CZ2-CG 3.66Å; W108-Q112 HydrophobicContact CZ3-CG 4.17Å; W108-Q112 WeakPolarHBondContact O-CG 3.05Å; W108-Q112 PolarHBondContact O-N 3.12Å; W108-L167 HydrophobicContact CH2-CD2 3.5Å; W108-L167 VanDerWaalsContact CH2-CD2 3.5Å; W108-L167 HydrophobicContact CZ3-CD2 3.78Å; W108-F170 HydrophobicContact CB-CE1 4.33Å; W108-F170 HydrophobicContact CB-CZ 4Å; W108-F170 HydrophobicContact CD2-CE1 4.37Å; W108-F170 AromaticContact CE3-CD1 3.6Å; W108-F170 HydrophobicContact CE3-CD1 3.6Å; W108-F170 HydrophobicContact CE3-CD2 4.44Å; W108-F170 AromaticContact CE3-CE1 3.57Å; W108-F170 HydrophobicContact CE3-CE1 3.57Å; W108-F170 HydrophobicContact CE3-CE2 4.42Å; W108-F170 HydrophobicContact CE3-CG 4.05Å; W108-F170 HydrophobicContact CE3-CZ 4.01Å; W108-F170 AromaticContact CZ3-CD1 3.84Å; W108-F170 HydrophobicContact CZ3-CD1 3.84Å; W108-F170 HydrophobicContact CZ3-CE1 4.27Å; W108-F170 HydrophobicContact CZ3-CG 4.17Å; W108-M212 HydrophobicContact CB-CG 4.5Å; W108-M212 HydrophobicContact CB-SD 3.89Å; W108-M212 HydrophobicContact CD2-CB 4.44Å; W108-M212 HydrophobicContact CD2-CG 3.65Å; W108-M212 HydrophobicContact CD2-SD 4.11Å; W108-M212 HydrophobicContact CE3-CG 4.2Å; W108-M212 HydrophobicContact CG-CB 4.34Å; W108-M212 HydrophobicContact CG-CG 3.78Å; W108-M212 HydrophobicContact CG-SD 3.81Å; W108-M212 HydrophobicContact CZ2-CG 4.22Å; W108-I215 HydrophobicContact CH2-CB 4.39Å; W108-I215 HydrophobicContact CH2-CG2 3.86Å; W108-I215 HydrophobicContact CZ2-CB 3.93Å; W108-I215 HydrophobicContact CZ2-CD1 4.2Å; W108-I215 HydrophobicContact CZ2-CG2 3.66Å; W108-L216 HydrophobicContact CE3-CD2 4.45Å; W108-L216 HydrophobicContact CH2-CD2 3.67Å; W108-L216 HydrophobicContact CH2-CG 4.11Å; W108-L216 HydrophobicContact CZ3-CD2 3.52Å; W108-L216 HydrophobicContact CZ3-CG 4.25Å
109	N	92.2	Very high	89.7	Confident	64 Å²	64	42.8 Å²	42.8	34%	0.342	22%	0.221	S	C	.	.	H	α-helix	trans	-61.9	-38.9	178.6	-71.7	-48.5	0	0	0	112	N105 Q106 T113	N105-N109 PolarHBondContact O-N 3.32Å; N105-N109 PolarHBondContact O-ND2 2.77Å; N105-N109 PolarHBondContact OD1-ND2 3.2Å; Q106-N109 PolarHBondContact O-N 3.07Å; N109-T113 WeakPolarHBondContact O-CB 3.26Å; N109-T113 PolarHBondContact O-N 3.5Å; N109-T113 PolarHBondContact O-OG1 3.1Å
110	D	91.3	Very high	89.6	Confident	48 Å²	48	41.1 Å²	41.1	26%	0.257	21%	0.212	S	C	.	.	H	α-helix	trans	-64.8	-44.6	175.8	-68.5	-27.6	0	0	0	111.1	K46 Q106 W108 T113 A114	K46-D110 WeakPolarHBondContact CE-OD1 3.36Å; K46-D110 WeakPolarHBondContact CE-OD2 3.32Å; K46-D110 IonicContact NZ-OD1 2.75Å; K46-D110 PolarHBondContact NZ-OD1 2.91Å; K46-D110 IonicContact NZ-OD2 3.58Å; K46-D110 PolarHBondContact NZ-OD2 3.27Å; Q106-D110 VanDerWaalsContact NE2-CG 3.32Å; Q106-D110 PolarHBondContact NE2-OD1 2.99Å; Q106-D110 PolarHBondContact NE2-OD2 3.37Å; Q106-D110 WeakPolarHBondContact O-CB 3.16Å; Q106-D110 PolarHBondContact O-N 2.86Å; W108-D110 VanDerWaalsContact C-N 3.29Å; W108-D110 PolarHBondContact O-N 3.08Å; D110-T113 PolarHBondContact O-N 3.49Å; D110-A114 WeakPolarHBondContact O-CB 3.49Å; D110-A114 PolarHBondContact O-N 3.31Å
111	H	92.1	Very high	89.2	Confident	10 Å²	10	40.9 Å²	40.9	5%	0.046	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-44.2	177.5	-176.2	64.7	0	0	0	112.4	A107 W108 T113 A114 M115 G166 F170	A107-H111 VanDerWaalsContact O-CB 3.27Å; A107-H111 WeakPolarHBondContact O-CB 3.43Å; A107-H111 PolarHBondContact O-N 3.01Å; W108-H111 PolarHBondContact O-N 3.5Å; H111-T113 VanDerWaalsContact C-N 3.32Å; H111-T113 PolarHBondContact O-N 2.92Å; H111-A114 PolarHBondContact O-N 3.49Å; H111-M115 WeakPolarHBondContact O-CB 3.5Å; H111-M115 VanDerWaalsContact O-CG 3.3Å; H111-M115 WeakPolarHBondContact O-CG 3.15Å; H111-M115 PolarHBondContact O-N 2.87Å; H111-G166 PolarHBondContact NE2-O 3.45Å; H111-F170 HydrophobicContact CB-CD2 3.99Å; H111-F170 HydrophobicContact CB-CE2 4.08Å; H111-F170 AromaticContact CD2-CD2 3.5Å; H111-F170 AromaticContact CD2-CG 3.81Å; H111-F170 AromaticContact CG-CD2 3.7Å
112	Q	90.4	Very high	88.7	Confident	37 Å²	37	39.7 Å²	39.7	17%	0.173	21%	0.205	C	C	.	.	H	α-helix	trans	-58.4	-46	174.7	-73	-169.3	-74.2	0	0	111.3	W108 M115 V116 Y163	W108-Q112 HydrophobicContact CD2-CG 3.95Å; W108-Q112 HydrophobicContact CE3-CG 4.17Å; W108-Q112 HydrophobicContact CH2-CG 3.96Å; W108-Q112 HydrophobicContact CZ2-CG 3.66Å; W108-Q112 HydrophobicContact CZ3-CG 4.17Å; W108-Q112 WeakPolarHBondContact O-CG 3.05Å; W108-Q112 PolarHBondContact O-N 3.12Å; Q112-M115 PolarHBondContact O-N 3.01Å; Q112-V116 WeakPolarHBondContact O-CG2 3.38Å; Q112-V116 PolarHBondContact O-N 2.87Å; Q112-Y163 PolarHBondContact NE2-OH 2.86Å
113	T	88.9	Confident	88.1	Confident	84 Å²	84	37.4 Å²	37.4	52%	0.515	20%	0.196	S	C	.	.	H	α-helix	trans	-60.9	-46.9	177.9	-55.1	0	0	0	0	111.4	N109 D110 H111 M115 V116 M117	N109-T113 WeakPolarHBondContact O-CB 3.26Å; N109-T113 PolarHBondContact O-N 3.5Å; N109-T113 PolarHBondContact O-OG1 3.1Å; D110-T113 PolarHBondContact O-N 3.49Å; H111-T113 VanDerWaalsContact C-N 3.32Å; H111-T113 PolarHBondContact O-N 2.92Å; T113-M115 PolarHBondContact O-N 3.42Å; T113-V116 PolarHBondContact O-N 2.95Å; T113-M117 HydrophobicContact CG2-CE 3.91Å; T113-M117 WeakPolarHBondContact O-CE 3.26Å; T113-M117 PolarHBondContact O-N 2.67Å
114	A	89.2	Confident	87	Confident	7 Å²	7	37.3 Å²	37.3	6%	0.058	19%	0.191	C	C	.	.	H	α-helix	trans	-59.6	-45.9	176.2	0	0	0	0	0	112.1	I43 D110 H111 V116 M117 I118	I43-A114 HydrophobicContact CG2-CB 4.07Å; D110-A114 WeakPolarHBondContact O-CB 3.49Å; D110-A114 PolarHBondContact O-N 3.31Å; H111-A114 PolarHBondContact O-N 3.49Å; A114-V116 PolarHBondContact O-N 3.39Å; A114-M117 PolarHBondContact O-N 2.89Å; A114-I118 VanDerWaalsContact O-CG1 3.27Å; A114-I118 WeakPolarHBondContact O-CG1 3.37Å; A114-I118 PolarHBondContact O-N 3.06Å
115	M	88.3	Confident	85.8	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-67.7	-31.2	-178.9	-72.7	-54.8	-48.1	0	0	113.4	V80 H111 Q112 T113 I118 R119 V162 Y163	V80-M115 HydrophobicContact CG1-SD 4.35Å; V80-M115 HydrophobicContact CG2-SD 4.28Å; H111-M115 WeakPolarHBondContact O-CB 3.5Å; H111-M115 VanDerWaalsContact O-CG 3.3Å; H111-M115 WeakPolarHBondContact O-CG 3.15Å; H111-M115 PolarHBondContact O-N 2.87Å; Q112-M115 PolarHBondContact O-N 3.01Å; T113-M115 PolarHBondContact O-N 3.42Å; M115-I118 HydrophobicContact CE-CG2 4.47Å; M115-I118 HydrophobicContact SD-CD1 4Å; M115-R119 VanDerWaalsContact O-CB 3.24Å; M115-R119 WeakPolarHBondContact O-CB 3.49Å; M115-R119 PolarHBondContact O-N 3.05Å; M115-V162 HydrophobicContact CE-CG1 3.94Å; M115-V162 WeakPolarHBondContact CE-O 3.3Å; M115-Y163 HydrophobicContact CB-CD2 3.97Å; M115-Y163 HydrophobicContact CB-CE2 4.14Å
116	V	85.9	Confident	84.1	Confident	50 Å²	50	36 Å²	36	30%	0.303	18%	0.184	S	C	.	.	H	α-helix	trans	-62.9	-47.3	171.1	170	0	0	0	0	110.5	Q112 T113 A114 I118 R119 D120 Y163	Q112-V116 WeakPolarHBondContact O-CG2 3.38Å; Q112-V116 PolarHBondContact O-N 2.87Å; T113-V116 PolarHBondContact O-N 2.95Å; A114-V116 PolarHBondContact O-N 3.39Å; V116-I118 PolarHBondContact O-N 3.42Å; V116-R119 WeakPolarHBondContact O-CB 3.47Å; V116-R119 PolarHBondContact O-N 2.91Å; V116-D120 PolarHBondContact O-N 3.27Å; V116-Y163 HydrophobicContact CG2-CD2 4.34Å; V116-Y163 HydrophobicContact CG2-CE2 3.81Å
117	M	85	Confident	82.2	Confident	35 Å²	35	35.7 Å²	35.7	17%	0.172	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-41.5	178.2	-70.4	-176.7	-76.3	0	0	112.4	I43 N48 F53 T113 A114 D120 I121	I43-M117 HydrophobicContact CG2-CB 4.07Å; I43-M117 HydrophobicContact CG2-CE 3.77Å; I43-M117 HydrophobicContact CG2-SD 4.45Å; N48-M117 PolarHBondContact ND2-SD 3.17Å; F53-M117 HydrophobicContact CE1-CB 4.23Å; F53-M117 HydrophobicContact CZ-SD 4.33Å; T113-M117 HydrophobicContact CG2-CE 3.91Å; T113-M117 WeakPolarHBondContact O-CE 3.26Å; T113-M117 PolarHBondContact O-N 2.67Å; A114-M117 PolarHBondContact O-N 2.89Å; M117-D120 PolarHBondContact O-N 3.44Å; M117-I121 WeakPolarHBondContact O-CG1 3Å; M117-I121 PolarHBondContact O-N 3.45Å; M117-I121 VanDerWaalsContact O-N 3.07Å
118	I	86.1	Confident	79.8	Confident	1 Å²	1	40 Å²	40	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-42.3	176.3	-68	164.4	0	0	0	111	I40 I43 L76 A114 M115 V116 D120 I121 L122 V162	I40-I118 HydrophobicContact CG1-CG1 4.43Å; I40-I118 HydrophobicContact CG2-CD1 3.9Å; I40-I118 HydrophobicContact CG2-CG1 4.37Å; I43-I118 HydrophobicContact CD1-CG1 4.46Å; I43-I118 HydrophobicContact CG2-CG1 4.21Å; L76-I118 HydrophobicContact CD1-CG2 3.61Å; L76-I118 HydrophobicContact CD2-CG2 4.37Å; A114-I118 VanDerWaalsContact O-CG1 3.27Å; A114-I118 WeakPolarHBondContact O-CG1 3.37Å; A114-I118 PolarHBondContact O-N 3.06Å; M115-I118 HydrophobicContact CE-CG2 4.47Å; M115-I118 HydrophobicContact SD-CD1 4Å; V116-I118 PolarHBondContact O-N 3.42Å; I118-D120 VanDerWaalsContact C-N 3.28Å; I118-D120 PolarHBondContact O-N 2.9Å; I118-I121 PolarHBondContact O-N 2.93Å; I118-L122 HydrophobicContact CG2-CD1 4Å; I118-L122 WeakPolarHBondContact O-CB 3.48Å; I118-L122 WeakPolarHBondContact O-CG 3.25Å; I118-L122 PolarHBondContact O-N 3.42Å; I118-V162 HydrophobicContact CG2-CG1 4.03Å
119	R	84	Confident	77.3	Confident	86 Å²	86	45.2 Å²	45.2	33%	0.325	24%	0.235	S	C	.	.	H	α-helix	trans	-58.8	-41.5	174.3	179.4	-154.2	68.7	-169	-1.4	111.2	M115 V116 L122 M123 V162	M115-R119 VanDerWaalsContact O-CB 3.24Å; M115-R119 WeakPolarHBondContact O-CB 3.49Å; M115-R119 PolarHBondContact O-N 3.05Å; V116-R119 WeakPolarHBondContact O-CB 3.47Å; V116-R119 PolarHBondContact O-N 2.91Å; R119-L122 CarbonylContact O-C 3.58Å; R119-L122 VanDerWaalsContact O-C 3.27Å; R119-L122 PolarHBondContact O-N 2.65Å; R119-M123 WeakPolarHBondContact O-CA 3.33Å; R119-M123 PolarHBondContact O-N 2.91Å; R119-V162 HydrophobicContact CB-CG1 4.32Å
120	D	81.8	Confident	74.6	Confident	58 Å²	58	47.1 Å²	47.1	31%	0.31	25%	0.249	S	C	.	.	H	α-helix	trans	-68.9	-38.3	-178.3	-67.1	-12.1	0	0	0	111.8	V116 M117 I118 L122 M123	V116-D120 PolarHBondContact O-N 3.27Å; M117-D120 PolarHBondContact O-N 3.44Å; I118-D120 VanDerWaalsContact C-N 3.28Å; I118-D120 PolarHBondContact O-N 2.9Å; D120-L122 VanDerWaalsContact C-N 3.31Å; D120-L122 PolarHBondContact O-N 2.87Å; D120-M123 VanDerWaalsContact O-CB 3.25Å; D120-M123 WeakPolarHBondContact O-CB 3.48Å; D120-M123 PolarHBondContact O-N 3.39Å
121	I	83.5	Confident	71.8	Confident	6 Å²	6	51.8 Å²	51.8	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-40.8	170.8	-68	167.3	0	0	0	111	L36 I43 F53 L56 M117 I118 M123	L36-I121 HydrophobicContact CD2-CG2 4.26Å; I43-I121 HydrophobicContact CD1-CD1 3.31Å; F53-I121 HydrophobicContact CD1-CD1 3.9Å; F53-I121 HydrophobicContact CD1-CG1 3.6Å; F53-I121 HydrophobicContact CE1-CD1 3.83Å; F53-I121 HydrophobicContact CE1-CG1 3.97Å; L56-I121 HydrophobicContact CB-CG1 4.41Å; L56-I121 HydrophobicContact CB-CG2 3.81Å; L56-I121 HydrophobicContact CD1-CD1 4.05Å; M117-I121 WeakPolarHBondContact O-CG1 3Å; M117-I121 PolarHBondContact O-N 3.45Å; M117-I121 VanDerWaalsContact O-N 3.07Å; I118-I121 PolarHBondContact O-N 2.93Å; I121-M123 VanDerWaalsContact C-N 3.31Å; I121-M123 PolarHBondContact O-N 2.95Å
122	L	80.8	Confident	69.2	Low	3 Å²	3	57 Å²	57	2%	0.016	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	18.1	-177.8	-58.7	-179.8	0	0	0	113.1	A60 L72 L76 I118 R119 D120 Y124 M125 C126 V162	A60-L122 HydrophobicContact CB-CD2 3.71Å; L72-L122 HydrophobicContact CD1-CD2 4.18Å; L72-L122 HydrophobicContact CD2-CD2 4.04Å; L72-L122 HydrophobicContact CG-CD2 4.28Å; L76-L122 HydrophobicContact CD1-CD1 4.25Å; L76-L122 HydrophobicContact CD2-CD1 3.58Å; L76-L122 HydrophobicContact CG-CD1 4.37Å; I118-L122 HydrophobicContact CG2-CD1 4Å; I118-L122 WeakPolarHBondContact O-CB 3.48Å; I118-L122 WeakPolarHBondContact O-CG 3.25Å; I118-L122 PolarHBondContact O-N 3.42Å; R119-L122 CarbonylContact O-C 3.58Å; R119-L122 VanDerWaalsContact O-C 3.27Å; R119-L122 PolarHBondContact O-N 2.65Å; D120-L122 VanDerWaalsContact C-N 3.31Å; D120-L122 PolarHBondContact O-N 2.87Å; L122-Y124 PolarHBondContact O-N 3.35Å; L122-Y124 VanDerWaalsContact O-N 3.11Å; L122-M125 VanDerWaalsContact O-CB 3.26Å; L122-M125 WeakPolarHBondContact O-CB 3.37Å; L122-M125 PolarHBondContact O-N 3.4Å; L122-C126 PolarHBondContact O-N 2.95Å; L122-V162 HydrophobicContact CB-CG2 4.37Å; L122-V162 HydrophobicContact CD1-CG1 4.34Å; L122-V162 HydrophobicContact CD1-CG2 4.2Å
123	M	77.3	Confident	66.4	Low	89 Å²	89	64.6 Å²	64.6	44%	0.438	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-57.5	-34.5	-171	179	-172.1	-62.7	0	0	112.9	Y57 R119 D120 I121 M125 C126	Y57-M123 HydrophobicContact CD2-CB 4.38Å; Y57-M123 HydrophobicContact CE2-CB 3.97Å; R119-M123 WeakPolarHBondContact O-CA 3.33Å; R119-M123 PolarHBondContact O-N 2.91Å; D120-M123 VanDerWaalsContact O-CB 3.25Å; D120-M123 WeakPolarHBondContact O-CB 3.48Å; D120-M123 PolarHBondContact O-N 3.39Å; I121-M123 VanDerWaalsContact C-N 3.31Å; I121-M123 PolarHBondContact O-N 2.95Å; M123-M125 VanDerWaalsContact C-N 3.27Å; M123-M125 PolarHBondContact O-N 3.2Å; M123-C126 PolarHBondContact O-N 3.38Å; M123-C126 VanDerWaalsContact O-N 3.09Å
124	Y	67.9	Low	63.8	Low	42 Å²	42	67.1 Å²	67.1	17%	0.165	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-66.9	-28.1	177.9	-171.6	-109.5	0	0	0	113.3	Y61 V64 L122 C126 V152	Y61-Y124 AromaticContact CD2-CD1 3.42Å; Y61-Y124 HydrophobicContact CD2-CD1 3.42Å; Y61-Y124 VanDerWaalsContact CD2-CD1 3.42Å; Y61-Y124 AromaticContact CD2-CD2 3.41Å; Y61-Y124 HydrophobicContact CD2-CD2 3.41Å; Y61-Y124 VanDerWaalsContact CD2-CD2 3.41Å; Y61-Y124 AromaticContact CD2-CE1 3.53Å; Y61-Y124 HydrophobicContact CD2-CE1 3.53Å; Y61-Y124 AromaticContact CD2-CE2 3.55Å; Y61-Y124 HydrophobicContact CD2-CE2 3.55Å; Y61-Y124 AromaticContact CD2-CG 3.35Å; Y61-Y124 HydrophobicContact CD2-CG 3.35Å; Y61-Y124 AromaticContact CD2-CZ 3.58Å; Y61-Y124 HydrophobicContact CE2-CD1 4.01Å; Y61-Y124 AromaticContact CE2-CD2 3.63Å; Y61-Y124 HydrophobicContact CE2-CD2 3.63Å; Y61-Y124 AromaticContact CE2-CE1 3.63Å; Y61-Y124 HydrophobicContact CE2-CE1 3.63Å; Y61-Y124 AromaticContact CE2-CE2 3.24Å; Y61-Y124 HydrophobicContact CE2-CE2 3.24Å; Y61-Y124 AromaticContact CE2-CG 3.99Å; Y61-Y124 HydrophobicContact CE2-CG 3.99Å; Y61-Y124 AromaticContact CE2-CZ 3.22Å; Y61-Y124 HydrophobicContact CG-CD1 4.08Å; Y61-Y124 HydrophobicContact CG-CE1 4.26Å; Y61-Y124 HydrophobicContact CG-CG 4.26Å; V64-Y124 HydrophobicContact CB-CD1 3.96Å; V64-Y124 HydrophobicContact CB-CE1 4.2Å; V64-Y124 HydrophobicContact CG1-CD1 3.93Å; V64-Y124 HydrophobicContact CG1-CE1 3.94Å; L122-Y124 PolarHBondContact O-N 3.35Å; L122-Y124 VanDerWaalsContact O-N 3.11Å; Y124-C126 VanDerWaalsContact C-N 3.3Å; Y124-V152 WeakPolarHBondContact O-CG1 3.45Å
125	M	66.9	Low	61	Low	2 Å²	2	69.5 Å²	69.5	1%	0.01	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-74.7	-23	173.8	-169.2	-175.7	175.7	0	0	112.3	V64 G69 L72 Y73 L122 M123 V152 Y153 V154	V64-M125 HydrophobicContact CG2-CB 4.07Å; V64-M125 HydrophobicContact CG2-CG 4.2Å; G69-M125 WeakPolarHBondContact O-CE 3.5Å; L72-M125 HydrophobicContact CD2-SD 3.9Å; L72-M125 HydrophobicContact CG-SD 4.2Å; Y73-M125 VanDerWaalsContact CB-CE 3.45Å; Y73-M125 HydrophobicContact CD2-CE 3.43Å; Y73-M125 VanDerWaalsContact CD2-CE 3.43Å; Y73-M125 HydrophobicContact CG-CE 3.87Å; L122-M125 VanDerWaalsContact O-CB 3.26Å; L122-M125 WeakPolarHBondContact O-CB 3.37Å; L122-M125 PolarHBondContact O-N 3.4Å; M123-M125 VanDerWaalsContact C-N 3.27Å; M123-M125 PolarHBondContact O-N 3.2Å; M125-V152 VanDerWaalsContact C-CG1 3.4Å; M125-V152 WeakPolarHBondContact O-CG1 3.23Å; M125-Y153 HydrophobicContact CE-CD1 3.63Å; M125-Y153 HydrophobicContact CE-CE1 3.84Å; M125-Y153 HydrophobicContact CG-CD1 4.43Å; M125-V154 HydrophobicContact CG-CG2 4.33Å; M125-V154 WeakPolarHBondContact O-CG2 3.49Å
126	C	56.9	Low	58.2	Low	13 Å²	13	76.2 Å²	76.2	9%	0.088	41%	0.412	C	S	.	.	S	Bend	trans	-99.1	-3.1	-167.6	-71.6	0	0	0	0	115.3	L122 M123 Y124 L128 V162	L122-C126 PolarHBondContact O-N 2.95Å; M123-C126 PolarHBondContact O-N 3.38Å; M123-C126 VanDerWaalsContact O-N 3.09Å; Y124-C126 VanDerWaalsContact C-N 3.3Å; C126-L128 VanDerWaalsContact C-N 3.33Å; C126-L128 PolarHBondContact O-N 2.92Å; C126-V162 WeakPolarHBondContact SG-CG2 3.32Å
127	H	52.3	Low	55.6	Low	91 Å²	91	78.2 Å²	78.2	42%	0.421	43%	0.434	S	S	.	.			trans	-47.8	84	-157.4	-133.4	83.8	0	0	0	116.4	V152	H127-V152 HydrophobicContact CB-CB 3.85Å; H127-V152 HydrophobicContact CB-CG1 4Å; H127-V152 HydrophobicContact CB-CG2 3.43Å; H127-V152 VanDerWaalsContact CB-CG2 3.43Å
128	L	40.6	Very low	53.1	Low	107 Å²	107	84.6 Å²	84.6	56%	0.56	47%	0.468	S	S	*	.			trans	-119.3	99.6	145.7	-97	164.8	0	0	0	105.2	C126 T130	C126-L128 VanDerWaalsContact C-N 3.33Å; C126-L128 PolarHBondContact O-N 2.92Å; L128-T130 HydrophobicContact CD2-CG2 4.2Å; L128-T130 PolarHBondContact O-N 3.27Å; L128-T130 VanDerWaalsContact O-N 3.09Å
129	V	42.6	Very low	50.3	Low	115 Å²	115	92.7 Å²	92.7	70%	0.697	51%	0.51	S	S	*	.			trans	-74	90.4	154	178.7	0	0	0	0	106.1
130	T	35	Very low	47.8	Very low	105 Å²	105	94.5 Å²	94.5	64%	0.644	53%	0.533	S	S	*	.			trans	-133.4	83.9	157.7	44.3	0	0	0	0	107.4	L128	L128-T130 HydrophobicContact CD2-CG2 4.2Å; L128-T130 PolarHBondContact O-N 3.27Å; L128-T130 VanDerWaalsContact O-N 3.09Å
131	L	32.9	Very low	45.5	Very low	146 Å²	146	95.1 Å²	95.1	76%	0.764	55%	0.553	S	S	*	*			trans	-80.2	123.9	159	-71.9	170.5	0	0	0	107.9	W133	L131-W133 PolarHBondContact O-N 2.96Å
132	P	36.3	Very low	42.7	Very low	119 Å²	119	100.9 Å²	100.9	77%	0.773	59%	0.593	S	S	*	*			trans	-78	103.6	154.1	5.2	12.8	0	0	0	107.3	T134	P132-T134 PolarHBondContact O-N 3.34Å
133	W	31.8	Very low	40.4	Very low	197 Å²	197	113 Å²	113	75%	0.746	64%	0.638	S	S	*	*			trans	-81.6	105.6	169.4	-156.3	82.7	0	0	0	108	L131 G135 N136	L131-W133 PolarHBondContact O-N 2.96Å; W133-G135 PolarHBondContact O-N 3.24Å; W133-N136 VanDerWaalsContact CH2-O 3.25Å; W133-N136 WeakPolarHBondContact CH2-O 3.24Å; W133-N136 VanDerWaalsContact CZ3-N 3.32Å
134	T	35.1	Very low	38	Very low	137 Å²	137	113.4 Å²	113.4	84%	0.84	65%	0.65	S	S	*	*			trans	-84.9	94.3	171.6	50.1	0	0	0	0	110.1	P132	P132-T134 PolarHBondContact O-N 3.34Å
135	G	30.7	Very low	36.3	Very low	56 Å²	56	120.7 Å²	120.7	58%	0.577	69%	0.685	S	S	*	*			trans	47.7	111	148.5	0	0	0	0	0	120.5	W133	W133-G135 PolarHBondContact O-N 3.24Å
136	N	28.7	Very low	34.4	Very low	143 Å²	143	127.1 Å²	127.1	77%	0.765	73%	0.725	S	S	*	*				-171	152.5	91.9	-119.2	-10.1	0	0	0	112.7	W133	W133-N136 VanDerWaalsContact CH2-O 3.25Å; W133-N136 WeakPolarHBondContact CH2-O 3.24Å; W133-N136 VanDerWaalsContact CZ3-N 3.32Å
137	A	31	Very low	33.2	Very low	92 Å²	92	138.6 Å²	138.6	76%	0.76	77%	0.766	S	S	*	*			trans	89.6	111.3	169.7	0	0	0	0	0	118
138	L	32.2	Very low	32.1	Very low	169 Å²	169	138.4 Å²	138.4	89%	0.885	78%	0.775	S	S	*	*			trans	-47.3	139.1	169.4	-68.3	141.8	0	0	0	113.8
139	L	27.3	Very low	31.4	Very low	171 Å²	171	144.8 Å²	144.8	90%	0.895	79%	0.792	S	S	*	*				-167.9	133.9	126.8	-96.1	170.1	0	0	0	109.9
140	P	32.7	Very low	30.8	Very low	123 Å²	123	144.7 Å²	144.7	80%	0.799	79%	0.787	S	S	*	*			trans	-93.2	125	-178.1	33.2	-27.7	0	0	0	111.6
141	G	32.4	Very low	31.1	Very low	72 Å²	72	149.6 Å²	149.6	74%	0.742	79%	0.794	S	S	*	*			trans	164.1	77.6	168.8	0	0	0	0	0	116.1
142	C	26.3	Very low	32.1	Very low	127 Å²	127	143.3 Å²	143.3	86%	0.858	76%	0.762	S	S	*	*			trans	177	96	138.5	-95.9	0	0	0	0	109.6
143	R	31.3	Very low	33.1	Very low	258 Å²	258	139.4 Å²	139.4	97%	0.974	73%	0.732	S	S	*	*			trans	-93.3	115.2	152.7	-74.5	-174.6	-160.8	-158.5	3.8	107.2
144	S	26.2	Very low	34.4	Very low	97 Å²	97	130.9 Å²	130.9	68%	0.678	70%	0.701	S	S	*	*			trans	-152.3	84.4	156	44.8	0	0	0	0	110	T146	S144-T146 PolarHBondContact O-N 3.49Å
145	Q	34.2	Very low	35.3	Very low	194 Å²	194	129.8 Å²	129.8	91%	0.907	69%	0.687	S	S	*	*				27.6	94.7	125.4	-164.1	147.6	7.7	0	0	117.5
146	T	26.8	Very low	36.5	Very low	137 Å²	137	132.6 Å²	132.6	84%	0.84	69%	0.685	S	S	*	*			trans	-143.6	99.4	140	30.3	0	0	0	0	109	S144 S148	S144-T146 PolarHBondContact O-N 3.49Å; T146-S148 VanDerWaalsContact C-N 3.27Å; T146-S148 PolarHBondContact O-N 3.25Å; T146-S148 VanDerWaalsContact O-N 3.09Å
147	R	30.9	Very low	38	Very low	254 Å²	254	129.6 Å²	129.6	96%	0.958	67%	0.669	S	S	*	*			trans	-78.1	82.4	167.5	-166.2	175.4	-175.3	168.5	1.4	106.5
148	S	28.2	Very low	39.4	Very low	88 Å²	88	132.8 Å²	132.8	62%	0.615	67%	0.673	S	S	*	*			trans	-73.9	143.3	169.2	-173.5	0	0	0	0	109.8	T146 D150	T146-S148 VanDerWaalsContact C-N 3.27Å; T146-S148 PolarHBondContact O-N 3.25Å; T146-S148 VanDerWaalsContact O-N 3.09Å; S148-D150 PolarHBondContact OG-OD2 2.89Å
149	R	26.6	Very low	41.2	Very low	241 Å²	241	126.9 Å²	126.9	91%	0.909	64%	0.644	S	S	*	*			trans	-105.9	49.5	-168.6	-152.6	-174.2	-149.6	163.7	3.5	109.4
150	D	30.3	Very low	43.3	Very low	113 Å²	113	123.1 Å²	123.1	60%	0.604	62%	0.622	S	S	*	*			trans	-112.5	99	179.7	-63.1	-40.9	0	0	0	109.5	S148	S148-D150 PolarHBondContact OG-OD2 2.89Å
151	R	40.4	Very low	45.5	Very low	207 Å²	207	119.1 Å²	119.1	78%	0.781	59%	0.594	S	S	*	*			trans	-75	128.6	173.4	-74.2	178	175.5	-177.2	-3	108.3	Q156	R151-Q156 HydrophobicContact CB-CG 3.92Å; R151-Q156 PolarHBondContact O-NE2 3.5Å
152	V	54.7	Low	47.8	Very low	14 Å²	14	115.7 Å²	115.7	9%	0.085	56%	0.558	C	S	.	*			trans	-98	146.5	-173.8	177	0	0	0	0	112.2	Y124 M125 H127 V154 Q155 Q156	Y124-V152 WeakPolarHBondContact O-CG1 3.45Å; M125-V152 VanDerWaalsContact C-CG1 3.4Å; M125-V152 WeakPolarHBondContact O-CG1 3.23Å; H127-V152 HydrophobicContact CB-CB 3.85Å; H127-V152 HydrophobicContact CB-CG1 4Å; H127-V152 HydrophobicContact CB-CG2 3.43Å; H127-V152 VanDerWaalsContact CB-CG2 3.43Å; V152-V154 VanDerWaalsContact C-N 3.32Å; V152-V154 PolarHBondContact O-N 3.32Å; V152-V154 VanDerWaalsContact O-N 3.09Å; V152-Q155 PolarHBondContact O-N 3.06Å; V152-Q156 PolarHBondContact O-N 3.35Å
153	Y	57.5	Low	50.4	Low	38 Å²	38	112 Å²	112	15%	0.149	53%	0.526	C	S	.	.	H	α-helix	trans	-41.6	-45.1	-168.9	-178.9	-88.4	0	0	0	115.4	G69 E70 M125 Q155 Q156 N157 V159	G69-Y153 VanDerWaalsContact C-CE2 3.49Å; E70-Y153 WeakPolarHBondContact CA-OH 3.38Å; E70-Y153 HydrophobicContact CB-CE2 4.37Å; E70-Y153 WeakPolarHBondContact CB-OH 3.43Å; E70-Y153 VanDerWaalsContact N-CZ 3.3Å; E70-Y153 PolarHBondContact N-OH 2.83Å; M125-Y153 HydrophobicContact CE-CD1 3.63Å; M125-Y153 HydrophobicContact CE-CE1 3.84Å; M125-Y153 HydrophobicContact CG-CD1 4.43Å; Y153-Q155 PolarHBondContact O-N 3.44Å; Y153-Q156 PolarHBondContact O-N 2.89Å; Y153-N157 VanDerWaalsContact CD2-ND2 3.34Å; Y153-N157 WeakPolarHBondContact CD2-ND2 3.3Å; Y153-N157 WeakPolarHBondContact CE2-ND2 3.27Å; Y153-N157 PolarHBondContact O-N 2.98Å; Y153-N157 PolarHBondContact OH-ND2 3.3Å; Y153-V159 HydrophobicContact CE1-CG2 4.3Å
154	V	58.8	Low	53	Low	17 Å²	17	101.7 Å²	101.7	10%	0.103	49%	0.491	C	S	.	.	H	α-helix	trans	-61.1	-42.2	-177.9	171.2	0	0	0	0	112.4	M125 V152 N158 V159	M125-V154 HydrophobicContact CG-CG2 4.33Å; M125-V154 WeakPolarHBondContact O-CG2 3.49Å; V152-V154 VanDerWaalsContact C-N 3.32Å; V152-V154 PolarHBondContact O-N 3.32Å; V152-V154 VanDerWaalsContact O-N 3.09Å; V154-N158 PolarHBondContact O-N 2.95Å; V154-V159 HydrophobicContact CB-CG2 4.28Å; V154-V159 HydrophobicContact CG1-CG2 4.32Å; V154-V159 WeakPolarHBondContact CG1-O 3.41Å; V154-V159 HydrophobicContact CG2-CG2 4.2Å; V154-V159 PolarHBondContact O-N 3.4Å
155	Q	54.5	Low	55.7	Low	114 Å²	114	97.5 Å²	97.5	53%	0.533	46%	0.461	S	S	.	.	H	α-helix	trans	-76.4	-29.2	176.3	-72.3	-177.6	-14.5	0	0	113.1	V152 Y153	V152-Q155 PolarHBondContact O-N 3.06Å; Y153-Q155 PolarHBondContact O-N 3.44Å
156	Q	56.6	Low	58.2	Low	116 Å²	116	88.3 Å²	88.3	54%	0.542	42%	0.418	S	S	.	.	H	α-helix	trans	-72.5	-32.8	179.2	-67.7	-173.3	-4	0	0	112.3	R151 V152 Y153	R151-Q156 HydrophobicContact CB-CG 3.92Å; R151-Q156 PolarHBondContact O-NE2 3.5Å; V152-Q156 PolarHBondContact O-N 3.35Å; Y153-Q156 PolarHBondContact O-N 2.89Å
157	N	59.4	Low	61.1	Low	79 Å²	79	82 Å²	82	42%	0.422	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	6.4	-173.6	-66.5	-26	0	0	0	114.2	Y153 V159	Y153-N157 VanDerWaalsContact CD2-ND2 3.34Å; Y153-N157 WeakPolarHBondContact CD2-ND2 3.3Å; Y153-N157 WeakPolarHBondContact CE2-ND2 3.27Å; Y153-N157 PolarHBondContact O-N 2.98Å; Y153-N157 PolarHBondContact OH-ND2 3.3Å; N157-V159 VanDerWaalsContact C-N 3.28Å; N157-V159 HydrophobicContact CB-CG1 4.38Å; N157-V159 PolarHBondContact O-N 2.95Å
158	N	60.9	Low	63.8	Low	160 Å²	160	71.5 Å²	71.5	86%	0.856	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	42.8	178.6	-159.5	51.3	0	0	0	113.2	V154	V154-N158 PolarHBondContact O-N 2.95Å
159	V	68.4	Low	66.8	Low	44 Å²	44	67.7 Å²	67.7	27%	0.267	31%	0.314	S	S	.	.			trans	-105.1	157	177.9	-66.2	0	0	0	0	110.6	Y73 Y153 V154 N157	Y73-V159 HydrophobicContact CE1-CB 4.15Å; Y73-V159 HydrophobicContact CE1-CG1 4.41Å; Y73-V159 HydrophobicContact CE2-CB 4.42Å; Y73-V159 HydrophobicContact CE2-CG2 4.24Å; Y153-V159 HydrophobicContact CE1-CG2 4.3Å; V154-V159 HydrophobicContact CB-CG2 4.28Å; V154-V159 HydrophobicContact CG1-CG2 4.32Å; V154-V159 WeakPolarHBondContact CG1-O 3.41Å; V154-V159 HydrophobicContact CG2-CG2 4.2Å; V154-V159 PolarHBondContact O-N 3.4Å; N157-V159 VanDerWaalsContact C-N 3.28Å; N157-V159 HydrophobicContact CB-CG1 4.38Å; N157-V159 PolarHBondContact O-N 2.95Å
160	E	71.3	Confident	69.9	Low	92 Å²	92	56.2 Å²	56.2	43%	0.43	27%	0.271	S	S	.	.			trans	-69.3	147.3	-179	-69.9	-64	163.9	0	0	112.3	Y73 N164 I168	Y73-E160 VanDerWaalsContact CE2-O 3.25Å; Y73-E160 WeakPolarHBondContact CE2-O 3.23Å; Y73-E160 PolarHBondContact OH-N 3.02Å; Y73-E160 PolarHBondContact OH-O 3.13Å; E160-N164 HydrophobicContact CB-CB 4.43Å; E160-I168 HydrophobicContact CB-CD1 4.44Å; E160-I168 HydrophobicContact CG-CD1 3.89Å
161	N	79.8	Confident	72.8	Confident	40 Å²	40	53 Å²	53	21%	0.214	25%	0.25	C	S	.	.			trans	-57.8	146.8	173.2	-175.8	-71.6	0	0	0	110.8	Y163 N164 L165	N161-Y163 PolarHBondContact O-N 3.44Å; N161-Y163 VanDerWaalsContact O-N 3.16Å; N161-Y163 PolarHBondContact OD1-N 3.05Å; N161-N164 HydrophobicContact CB-CB 4.46Å; N161-N164 PolarHBondContact O-N 3.43Å; N161-L165 PolarHBondContact O-N 2.87Å
162	V	80.4	Confident	75.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-49.9	-41.4	179.5	165.5	0	0	0	0	113.1	L76 M115 I118 R119 L122 C126 G166	L76-V162 HydrophobicContact CD2-CB 4.36Å; L76-V162 HydrophobicContact CD2-CG1 3.76Å; L76-V162 HydrophobicContact CD2-CG2 3.91Å; M115-V162 HydrophobicContact CE-CG1 3.94Å; M115-V162 WeakPolarHBondContact CE-O 3.3Å; I118-V162 HydrophobicContact CG2-CG1 4.03Å; R119-V162 HydrophobicContact CB-CG1 4.32Å; L122-V162 HydrophobicContact CB-CG2 4.37Å; L122-V162 HydrophobicContact CD1-CG1 4.34Å; L122-V162 HydrophobicContact CD1-CG2 4.2Å; C126-V162 WeakPolarHBondContact SG-CG2 3.32Å; V162-G166 PolarHBondContact O-N 3.47Å; V162-G166 VanDerWaalsContact O-N 3.12Å
163	Y	82.3	Confident	77	Confident	48 Å²	48	48.2 Å²	48.2	19%	0.188	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-49.9	177.6	-171.5	-102.2	0	0	0	111.3	Q112 M115 V116 N161 L165 G166 L167	Q112-Y163 PolarHBondContact NE2-OH 2.86Å; M115-Y163 HydrophobicContact CB-CD2 3.97Å; M115-Y163 HydrophobicContact CB-CE2 4.14Å; V116-Y163 HydrophobicContact CG2-CD2 4.34Å; V116-Y163 HydrophobicContact CG2-CE2 3.81Å; N161-Y163 PolarHBondContact O-N 3.44Å; N161-Y163 VanDerWaalsContact O-N 3.16Å; N161-Y163 PolarHBondContact OD1-N 3.05Å; Y163-L165 VanDerWaalsContact C-N 3.32Å; Y163-L165 PolarHBondContact O-N 3.26Å; Y163-G166 PolarHBondContact O-N 3.24Å; Y163-G166 VanDerWaalsContact O-N 3.08Å; Y163-L167 HydrophobicContact CD1-CD1 4.11Å; Y163-L167 HydrophobicContact CD1-CG 4.35Å; Y163-L167 HydrophobicContact CE1-CD1 3.73Å; Y163-L167 HydrophobicContact CE1-CD2 4.28Å; Y163-L167 HydrophobicContact CE1-CG 4.16Å; Y163-L167 WeakPolarHBondContact O-CG 3.26Å; Y163-L167 PolarHBondContact O-N 3.27Å; Y163-L167 VanDerWaalsContact O-N 3.1Å
164	N	84	Confident	78.6	Confident	42 Å²	42	46.4 Å²	46.4	23%	0.225	23%	0.231	C	C	.	.	H	α-helix	trans	-60.3	-39.7	177.5	-68.1	2.6	0	0	0	112.1	E160 N161 G166 L167 I168 L218	E160-N164 HydrophobicContact CB-CB 4.43Å; N161-N164 HydrophobicContact CB-CB 4.46Å; N161-N164 PolarHBondContact O-N 3.43Å; N164-G166 VanDerWaalsContact C-N 3.32Å; N164-G166 PolarHBondContact O-N 3.45Å; N164-L167 WeakPolarHBondContact O-CB 3.35Å; N164-L167 PolarHBondContact O-N 3.24Å; N164-L167 VanDerWaalsContact O-N 3.15Å; N164-I168 WeakPolarHBondContact O-CG1 3.39Å; N164-I168 PolarHBondContact O-N 3.22Å; N164-L218 HydrophobicContact CB-CD1 4.27Å; N164-L218 HydrophobicContact CB-CD2 3.9Å
165	L	83.9	Confident	80.1	Confident	10 Å²	10	45.6 Å²	45.6	5%	0.052	23%	0.226	C	C	.	.	H	α-helix	trans	-57.8	-46	173.8	175.9	67.3	0	0	0	110.8	Y73 L76 R77 N161 Y163 L167 I168 I169	Y73-L165 HydrophobicContact CD2-CD2 4.4Å; Y73-L165 HydrophobicContact CE1-CD2 4.16Å; Y73-L165 HydrophobicContact CE2-CD2 3.84Å; L76-L165 HydrophobicContact CD2-CD2 4.41Å; R77-L165 HydrophobicContact CB-CD2 4.16Å; R77-L165 HydrophobicContact CG-CD1 4.32Å; N161-L165 PolarHBondContact O-N 2.87Å; Y163-L165 VanDerWaalsContact C-N 3.32Å; Y163-L165 PolarHBondContact O-N 3.26Å; L165-L167 VanDerWaalsContact C-N 3.29Å; L165-L167 PolarHBondContact O-N 2.67Å; L165-I168 PolarHBondContact O-N 2.86Å; L165-I169 HydrophobicContact CD1-CD1 4.05Å; L165-I169 HydrophobicContact CD1-CG1 4.25Å; L165-I169 HydrophobicContact CG-CD1 3.88Å; L165-I169 HydrophobicContact CG-CG1 4.48Å; L165-I169 VanDerWaalsContact O-CG1 3.23Å; L165-I169 WeakPolarHBondContact O-CG1 3.27Å; L165-I169 PolarHBondContact O-N 2.74Å
166	G	86.5	Confident	81.8	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-38.3	175.7	0	0	0	0	0	113	H111 V162 Y163 N164 F170	H111-G166 PolarHBondContact NE2-O 3.45Å; V162-G166 PolarHBondContact O-N 3.47Å; V162-G166 VanDerWaalsContact O-N 3.12Å; Y163-G166 PolarHBondContact O-N 3.24Å; Y163-G166 VanDerWaalsContact O-N 3.08Å; N164-G166 VanDerWaalsContact C-N 3.32Å; N164-G166 PolarHBondContact O-N 3.45Å; G166-F170 WeakPolarHBondContact O-CB 3.2Å; G166-F170 PolarHBondContact O-N 2.95Å
167	L	88.4	Confident	83.4	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-67.8	-42.6	175.9	-57.9	-169	0	0	0	112.1	W108 Y163 N164 L165 I169 F170 R171 I215 L216 L218	W108-L167 HydrophobicContact CH2-CD2 3.5Å; W108-L167 VanDerWaalsContact CH2-CD2 3.5Å; W108-L167 HydrophobicContact CZ3-CD2 3.78Å; Y163-L167 HydrophobicContact CD1-CD1 4.11Å; Y163-L167 HydrophobicContact CD1-CG 4.35Å; Y163-L167 HydrophobicContact CE1-CD1 3.73Å; Y163-L167 HydrophobicContact CE1-CD2 4.28Å; Y163-L167 HydrophobicContact CE1-CG 4.16Å; Y163-L167 WeakPolarHBondContact O-CG 3.26Å; Y163-L167 PolarHBondContact O-N 3.27Å; Y163-L167 VanDerWaalsContact O-N 3.1Å; N164-L167 WeakPolarHBondContact O-CB 3.35Å; N164-L167 PolarHBondContact O-N 3.24Å; N164-L167 VanDerWaalsContact O-N 3.15Å; L165-L167 VanDerWaalsContact C-N 3.29Å; L165-L167 PolarHBondContact O-N 2.67Å; L167-I169 PolarHBondContact O-N 3.28Å; L167-F170 PolarHBondContact O-N 3.41Å; L167-R171 WeakPolarHBondContact O-CB 3.38Å; L167-R171 PolarHBondContact O-N 3.29Å; L167-I215 HydrophobicContact CD1-CG2 3.85Å; L167-L216 HydrophobicContact CB-CD2 4.44Å; L167-L216 WeakPolarHBondContact O-CD2 3.37Å; L167-L218 HydrophobicContact CB-CD2 3.9Å; L167-L218 HydrophobicContact CD1-CD2 3.7Å; L167-L218 HydrophobicContact CG-CD2 4.32Å
168	I	87.8	Confident	84.6	Confident	35 Å²	35	40.1 Å²	40.1	18%	0.179	20%	0.201	C	C	.	.	H	α-helix	trans	-60.4	-45.8	176.1	-70.7	165.4	0	0	0	110.8	E160 N164 L165 F170 R171 D172 L218	E160-I168 HydrophobicContact CB-CD1 4.44Å; E160-I168 HydrophobicContact CG-CD1 3.89Å; N164-I168 WeakPolarHBondContact O-CG1 3.39Å; N164-I168 PolarHBondContact O-N 3.22Å; L165-I168 PolarHBondContact O-N 2.86Å; I168-F170 PolarHBondContact O-N 3.36Å; I168-R171 WeakPolarHBondContact O-CB 3.24Å; I168-R171 PolarHBondContact O-N 3.48Å; I168-D172 WeakPolarHBondContact CG2-OD2 3.28Å; I168-D172 WeakPolarHBondContact O-CB 3.43Å; I168-D172 PolarHBondContact O-N 3.45Å; I168-L218 HydrophobicContact CD1-CD1 3.84Å; I168-L218 HydrophobicContact CG1-CD1 3.81Å
169	I	89.6	Confident	85.9	Confident	7 Å²	7	36.2 Å²	36.2	4%	0.036	19%	0.185	C	C	.	.	H	α-helix	trans	-65.6	-41.3	179.7	-57.6	162.4	0	0	0	110.1	R77 V80 T81 L84 L165 L167 D172 Q173	R77-I169 HydrophobicContact CG-CD1 4.02Å; V80-I169 HydrophobicContact CB-CD1 4.08Å; V80-I169 HydrophobicContact CG1-CB 4.49Å; V80-I169 HydrophobicContact CG1-CD1 3.88Å; V80-I169 HydrophobicContact CG1-CG2 4.41Å; T81-I169 WeakPolarHBondContact OG1-CG2 3.3Å; L84-I169 HydrophobicContact CD1-CB 4.04Å; L84-I169 HydrophobicContact CD1-CG2 3.52Å; L165-I169 HydrophobicContact CD1-CD1 4.05Å; L165-I169 HydrophobicContact CD1-CG1 4.25Å; L165-I169 HydrophobicContact CG-CD1 3.88Å; L165-I169 HydrophobicContact CG-CG1 4.48Å; L165-I169 VanDerWaalsContact O-CG1 3.23Å; L165-I169 WeakPolarHBondContact O-CG1 3.27Å; L165-I169 PolarHBondContact O-N 2.74Å; L167-I169 PolarHBondContact O-N 3.28Å; I169-D172 PolarHBondContact O-N 3.39Å; I169-Q173 HydrophobicContact CG2-CB 4.47Å; I169-Q173 HydrophobicContact CG2-CG 3.82Å; I169-Q173 WeakPolarHBondContact O-CB 3.4Å; I169-Q173 WeakPolarHBondContact O-CG 3.45Å; I169-Q173 PolarHBondContact O-N 3.48Å
170	F	92.4	Very high	87	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-43.7	175.7	-168.2	-87.7	0	0	0	112	L84 V88 L104 W108 H111 G166 L167 I168 V174 V175 M212 L216	L84-F170 HydrophobicContact CD1-CB 4.35Å; L84-F170 HydrophobicContact CD2-CD2 3.78Å; L84-F170 HydrophobicContact CD2-CE2 4.33Å; V88-F170 HydrophobicContact CG1-CE2 4.25Å; L104-F170 HydrophobicContact CD1-CZ 4.37Å; W108-F170 HydrophobicContact CB-CE1 4.33Å; W108-F170 HydrophobicContact CB-CZ 4Å; W108-F170 HydrophobicContact CD2-CE1 4.37Å; W108-F170 AromaticContact CE3-CD1 3.6Å; W108-F170 HydrophobicContact CE3-CD1 3.6Å; W108-F170 HydrophobicContact CE3-CD2 4.44Å; W108-F170 AromaticContact CE3-CE1 3.57Å; W108-F170 HydrophobicContact CE3-CE1 3.57Å; W108-F170 HydrophobicContact CE3-CE2 4.42Å; W108-F170 HydrophobicContact CE3-CG 4.05Å; W108-F170 HydrophobicContact CE3-CZ 4.01Å; W108-F170 AromaticContact CZ3-CD1 3.84Å; W108-F170 HydrophobicContact CZ3-CD1 3.84Å; W108-F170 HydrophobicContact CZ3-CE1 4.27Å; W108-F170 HydrophobicContact CZ3-CG 4.17Å; H111-F170 HydrophobicContact CB-CD2 3.99Å; H111-F170 HydrophobicContact CB-CE2 4.08Å; H111-F170 AromaticContact CD2-CD2 3.5Å; H111-F170 AromaticContact CD2-CG 3.81Å; H111-F170 AromaticContact CG-CD2 3.7Å; G166-F170 WeakPolarHBondContact O-CB 3.2Å; G166-F170 PolarHBondContact O-N 2.95Å; L167-F170 PolarHBondContact O-N 3.41Å; I168-F170 PolarHBondContact O-N 3.36Å; F170-V174 HydrophobicContact CD2-CB 4.45Å; F170-V174 HydrophobicContact CD2-CG2 4.13Å; F170-V174 HydrophobicContact CE1-CB 4.44Å; F170-V174 HydrophobicContact CE2-CB 4.37Å; F170-V174 HydrophobicContact CE2-CG1 4.41Å; F170-V174 HydrophobicContact CE2-CG2 4.23Å; F170-V174 HydrophobicContact CZ-CB 4.36Å; F170-V174 HydrophobicContact CZ-CG1 4.17Å; F170-V174 WeakPolarHBondContact O-CA 3.43Å; F170-V174 VanDerWaalsContact O-CB 3.32Å; F170-V174 WeakPolarHBondContact O-CB 3.21Å; F170-V174 PolarHBondContact O-N 3.3Å; F170-V175 HydrophobicContact CD1-CG2 3.81Å; F170-V175 HydrophobicContact CE1-CG2 3.53Å; F170-V175 PolarHBondContact O-N 3.25Å; F170-M212 HydrophobicContact CE1-SD 4.09Å; F170-L216 HydrophobicContact CB-CD2 4.47Å; F170-L216 HydrophobicContact CD1-CD1 4.42Å; F170-L216 HydrophobicContact CD1-CD2 4.04Å
171	R	91.8	Very high	87.9	Confident	47 Å²	47	33.6 Å²	33.6	18%	0.177	17%	0.167	C	C	.	.	I	π-helix	trans	-55.7	-55.3	174.6	-176.3	-167.5	66.8	-160.4	-0.9	110.8	L167 I168 V175 R176 L216 V223	L167-R171 WeakPolarHBondContact O-CB 3.38Å; L167-R171 PolarHBondContact O-N 3.29Å; I168-R171 WeakPolarHBondContact O-CB 3.24Å; I168-R171 PolarHBondContact O-N 3.48Å; R171-V175 PolarHBondContact O-N 2.99Å; R171-R176 HydrophobicContact CG-CG 4.19Å; R171-R176 VanDerWaalsContact O-CB 3.3Å; R171-R176 WeakPolarHBondContact O-CB 3.36Å; R171-R176 PolarHBondContact O-N 3.41Å; R171-L216 HydrophobicContact CB-CB 4.39Å; R171-L216 HydrophobicContact CB-CD2 4.05Å; R171-L216 HydrophobicContact CG-CB 4.41Å; R171-V223 VanDerWaalsContact CD-CG2 3.49Å; R171-V223 HydrophobicContact CG-CG2 4.22Å
172	D	90.7	Very high	88.5	Confident	62 Å²	62	35.2 Å²	35.2	33%	0.332	18%	0.176	S	C	.	.	I	π-helix	trans	-77.7	-34.8	-169.4	-65.5	-18.2	0	0	0	112.4	I168 I169	I168-D172 WeakPolarHBondContact CG2-OD2 3.28Å; I168-D172 WeakPolarHBondContact O-CB 3.43Å; I168-D172 PolarHBondContact O-N 3.45Å; I169-D172 PolarHBondContact O-N 3.39Å
173	Q	91.3	Very high	89.1	Confident	57 Å²	57	38.2 Å²	38.2	27%	0.266	19%	0.189	S	C	.	.	I	π-helix	trans	-94.9	-24.4	-175.1	-56.4	-59.4	-31.6	0	0	113.6	T81 I85 R89 I169	T81-Q173 HydrophobicContact CG2-CG 4.31Å; I85-Q173 HydrophobicContact CG1-CB 4.31Å; I85-Q173 HydrophobicContact CG1-CG 4.44Å; R89-Q173 PolarHBondContact NE-O 3.3Å; R89-Q173 PolarHBondContact NH2-O 2.97Å; I169-Q173 HydrophobicContact CG2-CB 4.47Å; I169-Q173 HydrophobicContact CG2-CG 3.82Å; I169-Q173 WeakPolarHBondContact O-CB 3.4Å; I169-Q173 WeakPolarHBondContact O-CG 3.45Å; I169-Q173 PolarHBondContact O-N 3.48Å
174	V	91.6	Very high	89.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	I	π-helix	trans	-112.2	-63.8	-178.7	-173.7	0	0	0	0	110.5	L84 V88 V92 L104 F170 Y177 I180	L84-V174 HydrophobicContact CB-CG2 4.24Å; L84-V174 HydrophobicContact CD2-CG2 4.17Å; V88-V174 HydrophobicContact CG1-CG1 4.45Å; V88-V174 HydrophobicContact CG1-CG2 4.2Å; V92-V174 HydrophobicContact CG2-CG1 4.34Å; L104-V174 HydrophobicContact CD1-CG1 4.22Å; F170-V174 HydrophobicContact CD2-CB 4.45Å; F170-V174 HydrophobicContact CD2-CG2 4.13Å; F170-V174 HydrophobicContact CE1-CB 4.44Å; F170-V174 HydrophobicContact CE2-CB 4.37Å; F170-V174 HydrophobicContact CE2-CG1 4.41Å; F170-V174 HydrophobicContact CE2-CG2 4.23Å; F170-V174 HydrophobicContact CZ-CB 4.36Å; F170-V174 HydrophobicContact CZ-CG1 4.17Å; F170-V174 WeakPolarHBondContact O-CA 3.43Å; F170-V174 VanDerWaalsContact O-CB 3.32Å; F170-V174 WeakPolarHBondContact O-CB 3.21Å; F170-V174 PolarHBondContact O-N 3.3Å; V174-Y177 WeakPolarHBondContact O-CB 3.37Å; V174-Y177 PolarHBondContact O-N 3.16Å; V174-I180 HydrophobicContact CG1-CD1 4.5Å; V174-I180 WeakPolarHBondContact O-CD1 3.35Å; V174-I180 WeakPolarHBondContact O-CG2 3.24Å
175	V	90.5	Very high	90	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	18%	0.182	C	C	.	.	I	π-helix	trans	-71.1	-42.5	-169.9	178.4	0	0	0	0	112.8	F170 R171 Y177 R181 L184 M212 L213 L216	F170-V175 HydrophobicContact CD1-CG2 3.81Å; F170-V175 HydrophobicContact CE1-CG2 3.53Å; F170-V175 PolarHBondContact O-N 3.25Å; R171-V175 PolarHBondContact O-N 2.99Å; V175-Y177 VanDerWaalsContact C-N 3.29Å; V175-Y177 PolarHBondContact O-N 3.42Å; V175-R181 VanDerWaalsContact O-CA 3.28Å; V175-R181 WeakPolarHBondContact O-CA 3.34Å; V175-R181 VanDerWaalsContact O-CB 3.26Å; V175-R181 WeakPolarHBondContact O-CB 3.3Å; V175-R181 PolarHBondContact O-N 3.46Å; V175-L184 HydrophobicContact CG1-CD2 4.18Å; V175-M212 HydrophobicContact CG2-CE 4.07Å; V175-M212 HydrophobicContact CG2-SD 4.32Å; V175-L213 HydrophobicContact CG1-CD2 3.84Å; V175-L216 HydrophobicContact CB-CD1 4.18Å; V175-L216 HydrophobicContact CG1-CD1 4.27Å; V175-L216 HydrophobicContact CG2-CD1 3.72Å
176	R	90.1	Very high	90.4	Very high	70 Å²	70	41.3 Å²	41.3	26%	0.264	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	5.6	178.2	-70.1	-171.9	164.4	-168.1	-11.8	113.7	R171 G178 E226 D227	R171-R176 HydrophobicContact CG-CG 4.19Å; R171-R176 VanDerWaalsContact O-CB 3.3Å; R171-R176 WeakPolarHBondContact O-CB 3.36Å; R171-R176 PolarHBondContact O-N 3.41Å; R176-G178 PolarHBondContact O-N 3.17Å; R176-E226 IonicContact CZ-OE2 2.63Å; R176-E226 IonicContact NH1-OE2 3.93Å; R176-E226 IonicContact NH2-OE2 2.65Å; R176-E226 PolarHBondContact NH2-OE2 3.1Å; R176-D227 IonicContact CZ-OD2 3.61Å; R176-D227 IonicContact NE-OD2 2.9Å; R176-D227 PolarHBondContact NE-OD2 3.27Å; R176-D227 IonicContact NH2-OD2 3.63Å; R176-D227 PolarHBondContact NH2-OD2 3.06Å
177	Y	91.1	Very high	90.7	Very high	88 Å²	88	42.9 Å²	42.9	35%	0.345	21%	0.211	S	C	.	.	S	Bend	trans	-63.9	125.4	169.9	-173.2	-105	0	0	0	109	R89 L93 V174 V175 C179 I180 R181	R89-Y177 HydrophobicContact CG-CD1 4.48Å; L93-Y177 HydrophobicContact CD1-CE1 4.08Å; L93-Y177 HydrophobicContact CD2-CD1 4.23Å; L93-Y177 HydrophobicContact CD2-CE1 4.04Å; V174-Y177 WeakPolarHBondContact O-CB 3.37Å; V174-Y177 PolarHBondContact O-N 3.16Å; V175-Y177 VanDerWaalsContact C-N 3.29Å; V175-Y177 PolarHBondContact O-N 3.42Å; Y177-C179 PolarHBondContact O-N 3.06Å; Y177-C179 VanDerWaalsContact O-N 3.1Å; Y177-I180 HydrophobicContact CD1-CD1 4.09Å; Y177-I180 HydrophobicContact CD1-CG1 4.15Å; Y177-I180 PolarHBondContact O-N 3.09Å; Y177-R181 PolarHBondContact O-N 3.18Å
178	G	84.3	Confident	90.9	Very high	35 Å²	35	42.8 Å²	42.8	36%	0.361	21%	0.21	S	C	.	.	H	α-helix	trans	-45.2	-53.1	-161.6	0	0	0	0	0	114.8	R176 I180 D182	R176-G178 PolarHBondContact O-N 3.17Å; G178-I180 PolarHBondContact O-N 2.88Å; G178-D182 VanDerWaalsContact O-CG 3.28Å; G178-D182 PolarHBondContact O-N 3.35Å
179	C	88.4	Confident	91.2	Very high	78 Å²	78	41.7 Å²	41.7	53%	0.527	21%	0.205	S	C	.	.	H	α-helix	trans	-65.7	-37.4	-179.7	-55.8	0	0	0	0	113.6	L93 Y177 H183	L93-C179 HydrophobicContact CD2-CB 4.39Å; Y177-C179 PolarHBondContact O-N 3.06Å; Y177-C179 VanDerWaalsContact O-N 3.1Å; C179-H183 WeakPolarHBondContact O-CB 3.38Å; C179-H183 PolarHBondContact O-N 3.3Å; C179-H183 VanDerWaalsContact O-N 3.14Å
180	I	91.3	Very high	91.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-72.1	-44.2	-178.7	-65.9	172.1	0	0	0	110	R89 V92 L93 F100 V174 Y177 G178 H183 L184	R89-I180 HydrophobicContact CG-CD1 4.13Å; V92-I180 HydrophobicContact CB-CD1 4.14Å; V92-I180 HydrophobicContact CG1-CD1 3.67Å; V92-I180 HydrophobicContact CG1-CG1 4.01Å; V92-I180 HydrophobicContact CG1-CG2 4.04Å; L93-I180 HydrophobicContact CD2-CD1 4.09Å; L93-I180 HydrophobicContact CD2-CG1 3.8Å; L93-I180 HydrophobicContact CG-CD1 4.19Å; L93-I180 HydrophobicContact CG-CG1 4.43Å; F100-I180 HydrophobicContact CE2-CG2 4.14Å; F100-I180 HydrophobicContact CZ-CG2 3.97Å; V174-I180 HydrophobicContact CG1-CD1 4.5Å; V174-I180 WeakPolarHBondContact O-CD1 3.35Å; V174-I180 WeakPolarHBondContact O-CG2 3.24Å; Y177-I180 HydrophobicContact CD1-CD1 4.09Å; Y177-I180 HydrophobicContact CD1-CG1 4.15Å; Y177-I180 PolarHBondContact O-N 3.09Å; G178-I180 PolarHBondContact O-N 2.88Å; I180-H183 PolarHBondContact O-N 3.28Å; I180-L184 WeakPolarHBondContact O-CB 3.43Å; I180-L184 PolarHBondContact O-N 3.38Å
181	R	91.1	Very high	91.4	Very high	81 Å²	81	45.4 Å²	45.4	31%	0.306	23%	0.225	S	C	.	.	H	α-helix	trans	-58.6	-52.4	179.1	-172.9	-167	62.9	-166.5	-6.3	111.4	V175 Y177 H183 L184 R185 D227	V175-R181 VanDerWaalsContact O-CA 3.28Å; V175-R181 WeakPolarHBondContact O-CA 3.34Å; V175-R181 VanDerWaalsContact O-CB 3.26Å; V175-R181 WeakPolarHBondContact O-CB 3.3Å; V175-R181 PolarHBondContact O-N 3.46Å; Y177-R181 PolarHBondContact O-N 3.18Å; R181-H183 VanDerWaalsContact C-N 3.33Å; R181-H183 PolarHBondContact O-N 3.43Å; R181-L184 PolarHBondContact O-N 3.14Å; R181-R185 WeakPolarHBondContact O-CB 3.02Å; R181-R185 PolarHBondContact O-N 3.27Å; R181-D227 WeakPolarHBondContact CD-OD1 3.4Å
182	D	91.1	Very high	91.4	Very high	75 Å²	75	43.2 Å²	43.2	40%	0.401	22%	0.216	S	C	.	.	H	α-helix	trans	-68.7	-37.5	-174.5	-61.6	-16.6	0	0	0	110.4	G178 Q186	G178-D182 VanDerWaalsContact O-CG 3.28Å; G178-D182 PolarHBondContact O-N 3.35Å; D182-Q186 WeakPolarHBondContact O-CB 3.19Å; D182-Q186 PolarHBondContact O-N 3.3Å
183	H	92.5	Very high	91.5	Very high	62 Å²	62	41.3 Å²	41.3	29%	0.287	21%	0.21	S	C	.	.	H	α-helix	trans	-69	-40.7	174.9	-169.8	79.2	0	0	0	113.1	L96 F100 C179 I180 R181 Q186 T187	L96-H183 HydrophobicContact CD2-CB 3.88Å; L96-H183 PolarHBondContact O-NE2 2.91Å; F100-H183 AromaticContact CD1-CD2 3.75Å; F100-H183 AromaticContact CE1-CD2 3.91Å; F100-H183 AromaticContact CG-CD2 3.89Å; C179-H183 WeakPolarHBondContact O-CB 3.38Å; C179-H183 PolarHBondContact O-N 3.3Å; C179-H183 VanDerWaalsContact O-N 3.14Å; I180-H183 PolarHBondContact O-N 3.28Å; R181-H183 VanDerWaalsContact C-N 3.33Å; R181-H183 PolarHBondContact O-N 3.43Å; H183-Q186 PolarHBondContact O-N 3.25Å; H183-T187 VanDerWaalsContact O-CB 3.29Å; H183-T187 WeakPolarHBondContact O-CB 3.38Å; H183-T187 PolarHBondContact O-N 3.31Å; H183-T187 PolarHBondContact O-OG1 3.16Å
184	L	92.3	Very high	91.5	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-59.6	-48.8	174.3	175.4	62.2	0	0	0	110.7	F100 L101 L104 V175 I180 R181 T187 L188 A209 M212 L213	F100-L184 HydrophobicContact CE1-CB 3.89Å; F100-L184 HydrophobicContact CE1-CD1 3.88Å; F100-L184 HydrophobicContact CZ-CB 4.03Å; L101-L184 HydrophobicContact CD2-CD1 3.52Å; L104-L184 HydrophobicContact CD2-CD1 3.99Å; L104-L184 HydrophobicContact CD2-CD2 4.1Å; V175-L184 HydrophobicContact CG1-CD2 4.18Å; I180-L184 WeakPolarHBondContact O-CB 3.43Å; I180-L184 PolarHBondContact O-N 3.38Å; R181-L184 PolarHBondContact O-N 3.14Å; L184-T187 PolarHBondContact O-N 3.42Å; L184-L188 HydrophobicContact CD1-CD1 3.95Å; L184-L188 HydrophobicContact CD1-CG 4.12Å; L184-L188 HydrophobicContact CG-CD1 4.15Å; L184-L188 VanDerWaalsContact O-CG 3.3Å; L184-L188 WeakPolarHBondContact O-CG 3.45Å; L184-L188 PolarHBondContact O-N 3.29Å; L184-A209 HydrophobicContact CD1-CB 4.44Å; L184-M212 HydrophobicContact CD2-CE 4.17Å; L184-L213 HydrophobicContact CD2-CD2 4.37Å
185	R	93.2	Very high	91.5	Very high	62 Å²	62	44.4 Å²	44.4	23%	0.234	22%	0.22	C	C	.	.	H	α-helix	trans	-55.9	-55.4	175.7	-178.5	-172.6	-63	158.9	0	110.8	R181 T187 L188 L189 D227 P231	R181-R185 WeakPolarHBondContact O-CB 3.02Å; R181-R185 PolarHBondContact O-N 3.27Å; R185-T187 VanDerWaalsContact C-N 3.31Å; R185-T187 PolarHBondContact O-N 3.1Å; R185-L188 PolarHBondContact O-N 3.48Å; R185-L189 HydrophobicContact CG-CD1 3.84Å; R185-L189 HydrophobicContact CG-CG 4.35Å; R185-L189 WeakPolarHBondContact O-CB 3.15Å; R185-L189 VanDerWaalsContact O-CG 3.24Å; R185-L189 WeakPolarHBondContact O-CG 3.49Å; R185-L189 PolarHBondContact O-N 3.25Å; R185-D227 PolarHBondContact NE-O 2.84Å; R185-D227 IonicContact NH2-OD1 2.88Å; R185-P231 HydrophobicContact CG-CB 4.21Å; R185-P231 HydrophobicContact CG-CG 4.43Å
186	Q	92.7	Very high	91.5	Very high	97 Å²	97	44.9 Å²	44.9	45%	0.453	22%	0.221	S	C	.	.	H	α-helix	trans	-59.4	-42.9	-177.7	-170.6	60.1	37.9	0	0	111.9	D182 H183 L188 L189 D190	D182-Q186 WeakPolarHBondContact O-CB 3.19Å; D182-Q186 PolarHBondContact O-N 3.3Å; H183-Q186 PolarHBondContact O-N 3.25Å; Q186-L188 PolarHBondContact O-N 3.1Å; Q186-L189 PolarHBondContact O-N 3.45Å; Q186-D190 VanDerWaalsContact NE2-CG 3.25Å; Q186-D190 PolarHBondContact NE2-OD1 3.27Å; Q186-D190 PolarHBondContact NE2-OD2 3.33Å; Q186-D190 WeakPolarHBondContact O-CB 3.48Å; Q186-D190 VanDerWaalsContact O-CG 3.3Å; Q186-D190 PolarHBondContact O-N 2.89Å
187	T	92.8	Very high	91.4	Very high	34 Å²	34	48.8 Å²	48.8	21%	0.209	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-47.2	179.1	-58.3	0	0	0	0	111.9	L101 H183 L184 R185 D190 M191	L101-T187 HydrophobicContact CD1-CG2 3.95Å; L101-T187 HydrophobicContact CD2-CG2 4.49Å; L101-T187 HydrophobicContact CG-CG2 4.12Å; H183-T187 VanDerWaalsContact O-CB 3.29Å; H183-T187 WeakPolarHBondContact O-CB 3.38Å; H183-T187 PolarHBondContact O-N 3.31Å; H183-T187 PolarHBondContact O-OG1 3.16Å; L184-T187 PolarHBondContact O-N 3.42Å; R185-T187 VanDerWaalsContact C-N 3.31Å; R185-T187 PolarHBondContact O-N 3.1Å; T187-D190 PolarHBondContact O-N 3.15Å; T187-M191 HydrophobicContact CG2-SD 4.31Å; T187-M191 VanDerWaalsContact O-CG 3.26Å; T187-M191 WeakPolarHBondContact O-CG 3.37Å; T187-M191 PolarHBondContact O-N 3.47Å
188	L	93.5	Very high	91.2	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-65	-43.1	179.2	-66.1	175.4	0	0	0	111.5	L101 L184 R185 Q186 M191 I192 I206 A209 F228	L101-L188 HydrophobicContact CD1-CD2 4.31Å; L101-L188 HydrophobicContact CD2-CD2 4.28Å; L184-L188 HydrophobicContact CD1-CD1 3.95Å; L184-L188 HydrophobicContact CD1-CG 4.12Å; L184-L188 HydrophobicContact CG-CD1 4.15Å; L184-L188 VanDerWaalsContact O-CG 3.3Å; L184-L188 WeakPolarHBondContact O-CG 3.45Å; L184-L188 PolarHBondContact O-N 3.29Å; R185-L188 PolarHBondContact O-N 3.48Å; Q186-L188 PolarHBondContact O-N 3.1Å; L188-M191 PolarHBondContact O-N 2.82Å; L188-I192 WeakPolarHBondContact O-CG1 3.43Å; L188-I192 PolarHBondContact O-N 3.48Å; L188-I192 VanDerWaalsContact O-N 3.13Å; L188-I206 HydrophobicContact CD2-CB 4.49Å; L188-I206 HydrophobicContact CD2-CG1 4.33Å; L188-I206 HydrophobicContact CD2-CG2 4.48Å; L188-A209 HydrophobicContact CD1-CB 4.04Å; L188-A209 HydrophobicContact CD2-CB 3.84Å; L188-F228 HydrophobicContact CB-CD2 4.03Å; L188-F228 HydrophobicContact CB-CE2 3.72Å; L188-F228 HydrophobicContact CD1-CD2 3.79Å; L188-F228 HydrophobicContact CD1-CE2 4.11Å
189	L	93.9	Very high	91.6	Very high	12 Å²	12	50.4 Å²	50.4	6%	0.063	26%	0.26	C	S	.	.	H	α-helix	trans	-62.9	-45	177.5	-69.1	-177.3	0	0	0	112	R185 Q186 M191 I192 A193 F228 P231 F232 M235	R185-L189 HydrophobicContact CG-CD1 3.84Å; R185-L189 HydrophobicContact CG-CG 4.35Å; R185-L189 WeakPolarHBondContact O-CB 3.15Å; R185-L189 VanDerWaalsContact O-CG 3.24Å; R185-L189 WeakPolarHBondContact O-CG 3.49Å; R185-L189 PolarHBondContact O-N 3.25Å; Q186-L189 PolarHBondContact O-N 3.45Å; L189-M191 PolarHBondContact O-N 2.75Å; L189-I192 PolarHBondContact O-N 3.3Å; L189-A193 WeakPolarHBondContact O-CB 3.5Å; L189-A193 PolarHBondContact O-N 2.95Å; L189-F228 HydrophobicContact CD2-CE2 4.33Å; L189-P231 HydrophobicContact CD1-CB 4.16Å; L189-F232 VanDerWaalsContact CD2-CA 3.48Å; L189-F232 HydrophobicContact CD2-CB 3.77Å; L189-F232 HydrophobicContact CD2-CD2 4.32Å; L189-M235 HydrophobicContact CB-CE 4.17Å; L189-M235 HydrophobicContact CB-SD 3.71Å; L189-M235 HydrophobicContact CD1-SD 4.46Å; L189-M235 HydrophobicContact CD2-CE 3.84Å; L189-M235 HydrophobicContact CD2-SD 4.14Å; L189-M235 HydrophobicContact CG-SD 4.3Å
190	D	92.3	Very high	91.5	Very high	71 Å²	71	53.7 Å²	53.7	38%	0.38	28%	0.277	S	S	.	.	H	α-helix	trans	-66.5	-35.6	178.4	-75.8	-23.9	0	0	0	112.5	Q186 T187 A193 R194	Q186-D190 VanDerWaalsContact NE2-CG 3.25Å; Q186-D190 PolarHBondContact NE2-OD1 3.27Å; Q186-D190 PolarHBondContact NE2-OD2 3.33Å; Q186-D190 WeakPolarHBondContact O-CB 3.48Å; Q186-D190 VanDerWaalsContact O-CG 3.3Å; Q186-D190 PolarHBondContact O-N 2.89Å; T187-D190 PolarHBondContact O-N 3.15Å; D190-A193 PolarHBondContact O-N 3.45Å; D190-R194 WeakPolarHBondContact O-CB 3.4Å; D190-R194 VanDerWaalsContact O-CG 3.32Å; D190-R194 WeakPolarHBondContact O-CG 3.47Å; D190-R194 PolarHBondContact O-N 2.82Å; D190-R194 PolarHBondContact O-NE 3.38Å
191	M	92.7	Very high	91.5	Very high	15 Å²	15	54.8 Å²	54.8	7%	0.074	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-44.9	172.1	-73.4	177.8	73.3	0	0	111.2	L101 T187 L188 L189 R194 E195 V201 D202 A205 I206	L101-M191 HydrophobicContact CD1-CE 4.49Å; L101-M191 HydrophobicContact CD1-SD 3.57Å; L101-M191 VanDerWaalsContact CD1-SD 3.57Å; T187-M191 HydrophobicContact CG2-SD 4.31Å; T187-M191 VanDerWaalsContact O-CG 3.26Å; T187-M191 WeakPolarHBondContact O-CG 3.37Å; T187-M191 PolarHBondContact O-N 3.47Å; L188-M191 PolarHBondContact O-N 2.82Å; L189-M191 PolarHBondContact O-N 2.75Å; M191-R194 PolarHBondContact O-N 3.03Å; M191-E195 PolarHBondContact O-N 3.16Å; M191-V201 HydrophobicContact CE-CB 4.27Å; M191-V201 WeakPolarHBondContact O-CG1 3.47Å; M191-D202 HydrophobicContact CE-CB 4.23Å; M191-D202 WeakPolarHBondContact CE-O 3.44Å; M191-A205 HydrophobicContact CE-CB 4.48Å; M191-I206 HydrophobicContact CB-CD1 4.01Å; M191-I206 HydrophobicContact CB-CG1 4.42Å; M191-I206 HydrophobicContact CE-CD1 4.18Å; M191-I206 HydrophobicContact CE-CG1 3.87Å; M191-I206 HydrophobicContact SD-CG1 4.25Å
192	I	93.3	Very high	91.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-66.9	-39.7	178	-64.5	166.6	0	0	0	111.2	L188 L189 R194 E195 R196 I206 F228 F232	L188-I192 WeakPolarHBondContact O-CG1 3.43Å; L188-I192 PolarHBondContact O-N 3.48Å; L188-I192 VanDerWaalsContact O-N 3.13Å; L189-I192 PolarHBondContact O-N 3.3Å; I192-R194 VanDerWaalsContact C-N 3.34Å; I192-R194 PolarHBondContact O-N 3.47Å; I192-E195 WeakPolarHBondContact O-CB 3.47Å; I192-E195 PolarHBondContact O-N 2.94Å; I192-R196 PolarHBondContact O-N 3.48Å; I192-I206 HydrophobicContact CG1-CD1 4.18Å; I192-F228 HydrophobicContact CD1-CE2 4.1Å; I192-F228 HydrophobicContact CD1-CZ 3.73Å; I192-F232 HydrophobicContact CD1-CD2 3.9Å; I192-F232 HydrophobicContact CD1-CE2 4Å; I192-F232 HydrophobicContact CG2-CE2 3.99Å
193	A	91.9	Very high	91.3	Very high	23 Å²	23	57.2 Å²	57.2	19%	0.19	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-38.2	177.2	0	0	0	0	0	112.5	L189 D190 K197	L189-A193 WeakPolarHBondContact O-CB 3.5Å; L189-A193 PolarHBondContact O-N 2.95Å; D190-A193 PolarHBondContact O-N 3.45Å; A193-K197 WeakPolarHBondContact O-CG 3.38Å; A193-K197 PolarHBondContact O-N 3.12Å
194	R	91.1	Very high	91.2	Very high	102 Å²	102	55.7 Å²	55.7	39%	0.385	30%	0.296	S	S	.	.	H	α-helix	trans	-69.7	-40.2	174	-74.3	-176.1	-58.7	133.9	-9.8	112.1	D190 M191 I192 R196 K197 G198 E199 V201	D190-R194 WeakPolarHBondContact O-CB 3.4Å; D190-R194 VanDerWaalsContact O-CG 3.32Å; D190-R194 WeakPolarHBondContact O-CG 3.47Å; D190-R194 PolarHBondContact O-N 2.82Å; D190-R194 PolarHBondContact O-NE 3.38Å; M191-R194 PolarHBondContact O-N 3.03Å; I192-R194 VanDerWaalsContact C-N 3.34Å; I192-R194 PolarHBondContact O-N 3.47Å; R194-R196 VanDerWaalsContact C-N 3.33Å; R194-R196 PolarHBondContact O-N 2.96Å; R194-K197 WeakPolarHBondContact O-CB 2.94Å; R194-K197 PolarHBondContact O-N 3.39Å; R194-G198 PolarHBondContact O-N 3.42Å; R194-E199 HydrophobicContact CB-CB 4.1Å; R194-E199 HydrophobicContact CB-CG 4.36Å; R194-E199 WeakPolarHBondContact CB-OE2 3.17Å; R194-E199 VanDerWaalsContact CD-OE2 3.26Å; R194-E199 WeakPolarHBondContact CD-OE2 3.4Å; R194-E199 WeakPolarHBondContact CG-OE2 3.26Å; R194-E199 IonicContact NH1-OE2 3.2Å; R194-E199 WeakPolarHBondContact O-CB 3.25Å; R194-E199 PolarHBondContact O-N 3.44Å; R194-E199 VanDerWaalsContact O-N 3.09Å; R194-V201 HydrophobicContact CB-CG1 4.34Å
195	E	92.3	Very high	91.1	Very high	20 Å²	20	56.2 Å²	56.2	9%	0.093	30%	0.301	C	S	.	.	H	α-helix	trans	-59.1	-43.2	173.8	-168.6	-169.7	-152.3	0	0	112	M191 I192 K197 G198 V201 R203 R270	M191-E195 PolarHBondContact O-N 3.16Å; I192-E195 WeakPolarHBondContact O-CB 3.47Å; I192-E195 PolarHBondContact O-N 2.94Å; E195-K197 PolarHBondContact O-N 2.92Å; E195-K197 VanDerWaalsContact O-N 3.17Å; E195-G198 WeakPolarHBondContact O-CA 3.34Å; E195-G198 PolarHBondContact O-N 3.23Å; E195-V201 HydrophobicContact CB-CG1 4.4Å; E195-V201 HydrophobicContact CB-CG2 3.76Å; E195-V201 HydrophobicContact CG-CG2 3.94Å; E195-R203 IonicContact OE1-CZ 3.89Å; E195-R203 IonicContact OE1-NE 3.41Å; E195-R203 PolarHBondContact OE1-NE 3.24Å; E195-R203 IonicContact OE1-NH2 3.37Å; E195-R203 PolarHBondContact OE1-NH2 2.99Å; E195-R270 WeakPolarHBondContact OE2-CD 3.32Å; E195-R270 IonicContact OE2-CZ 3.2Å; E195-R270 IonicContact OE2-NE 2.67Å; E195-R270 PolarHBondContact OE2-NE 3.04Å; E195-R270 IonicContact OE2-NH2 2.99Å
196	R	90.1	Very high	91.1	Very high	11 Å²	11	53.3 Å²	53.3	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-23.3	176.2	-76.6	-179.4	174.5	149.7	6.1	113.8	I192 R194 G198 S236 F239 E267	I192-R196 PolarHBondContact O-N 3.48Å; R194-R196 VanDerWaalsContact C-N 3.33Å; R194-R196 PolarHBondContact O-N 2.96Å; R196-G198 VanDerWaalsContact C-N 3.33Å; R196-S236 PolarHBondContact NH1-OG 3.35Å; R196-S236 PolarHBondContact NH2-OG 2.81Å; R196-F239 HydrophobicContact CB-CE2 4.39Å; R196-F239 HydrophobicContact CB-CZ 4.05Å; R196-E267 IonicContact CZ-OE1 2.8Å; R196-E267 IonicContact CZ-OE2 3.36Å; R196-E267 IonicContact NE-OE1 3.01Å; R196-E267 PolarHBondContact NE-OE1 3.09Å; R196-E267 IonicContact NE-OE2 2.68Å; R196-E267 VanDerWaalsContact NH2-CD 3.3Å; R196-E267 IonicContact NH2-OE1 3.96Å; R196-E267 PolarHBondContact NH2-OE1 3.33Å; R196-E267 IonicContact NH2-OE2 3.83Å; R196-E267 PolarHBondContact NH2-OE2 2.91Å
197	K	88.1	Confident	91.1	Very high	152 Å²	152	54.5 Å²	54.5	66%	0.661	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-2.3	173.9	-65.5	174.4	-176	175.2	0	113.1	A193 R194 E195	A193-K197 WeakPolarHBondContact O-CG 3.38Å; A193-K197 PolarHBondContact O-N 3.12Å; R194-K197 WeakPolarHBondContact O-CB 2.94Å; R194-K197 PolarHBondContact O-N 3.39Å; E195-K197 PolarHBondContact O-N 2.92Å; E195-K197 VanDerWaalsContact O-N 3.17Å
198	G	87.2	Confident	91.1	Very high	68 Å²	68	55.2 Å²	55.2	70%	0.701	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	10.8	179.7	0	0	0	0	0	114.6	R194 E195 R196	R194-G198 PolarHBondContact O-N 3.42Å; E195-G198 WeakPolarHBondContact O-CA 3.34Å; E195-G198 PolarHBondContact O-N 3.23Å; R196-G198 VanDerWaalsContact C-N 3.33Å
199	E	91.1	Very high	91.1	Very high	89 Å²	89	55.6 Å²	55.6	42%	0.416	30%	0.296	S	S	.	.			trans	-77.3	145.5	175.2	-61.5	178.8	-145.8	0	0	111.4	R194 V201	R194-E199 HydrophobicContact CB-CB 4.1Å; R194-E199 HydrophobicContact CB-CG 4.36Å; R194-E199 WeakPolarHBondContact CB-OE2 3.17Å; R194-E199 VanDerWaalsContact CD-OE2 3.26Å; R194-E199 WeakPolarHBondContact CD-OE2 3.4Å; R194-E199 WeakPolarHBondContact CG-OE2 3.26Å; R194-E199 IonicContact NH1-OE2 3.2Å; R194-E199 WeakPolarHBondContact O-CB 3.25Å; R194-E199 PolarHBondContact O-N 3.44Å; R194-E199 VanDerWaalsContact O-N 3.09Å; E199-V201 PolarHBondContact O-N 3.43Å
200	V	88.1	Confident	91	Very high	147 Å²	147	55.2 Å²	55.2	89%	0.891	29%	0.294	S	S	*	.			trans	-77	122.7	175.4	-178.1	0	0	0	0	109.3
201	V	90.1	Very high	91	Very high	22 Å²	22	56.1 Å²	56.1	13%	0.133	30%	0.296	C	S	.	.			trans	-124.5	154.2	177.9	-60.1	0	0	0	0	111.4	M191 R194 E195 E199 R203 I206	M191-V201 HydrophobicContact CE-CB 4.27Å; M191-V201 WeakPolarHBondContact O-CG1 3.47Å; R194-V201 HydrophobicContact CB-CG1 4.34Å; E195-V201 HydrophobicContact CB-CG1 4.4Å; E195-V201 HydrophobicContact CB-CG2 3.76Å; E195-V201 HydrophobicContact CG-CG2 3.94Å; E199-V201 PolarHBondContact O-N 3.43Å; V201-R203 PolarHBondContact O-N 2.84Å; V201-I206 HydrophobicContact CG2-CD1 4.39Å
202	D	88.4	Confident	91	Very high	100 Å²	100	55.6 Å²	55.6	54%	0.535	29%	0.294	S	S	.	.			trans	-73.9	90.4	174.1	-174.8	-3.5	0	0	0	110.7	M191 G204 A205 I206	M191-D202 HydrophobicContact CE-CB 4.23Å; M191-D202 WeakPolarHBondContact CE-O 3.44Å; D202-G204 PolarHBondContact O-N 3.25Å; D202-G204 WeakPolarHBondContact OD1-CA 3.48Å; D202-G204 PolarHBondContact OD1-N 3.48Å; D202-A205 HydrophobicContact CB-CB 4.09Å; D202-A205 PolarHBondContact O-N 3.1Å; D202-A205 PolarHBondContact OD1-N 3.1Å; D202-A205 VanDerWaalsContact OD1-N 3.13Å; D202-I206 PolarHBondContact O-N 3.09Å
203	R	89.3	Confident	91	Very high	107 Å²	107	55.7 Å²	55.7	40%	0.404	30%	0.295	S	S	.	.	H	α-helix	trans	-58.6	-30.3	174.6	-68.4	-173.8	173.7	179.3	-0.1	112.7	E195 V201 I206 R207 C274	E195-R203 IonicContact OE1-CZ 3.89Å; E195-R203 IonicContact OE1-NE 3.41Å; E195-R203 PolarHBondContact OE1-NE 3.24Å; E195-R203 IonicContact OE1-NH2 3.37Å; E195-R203 PolarHBondContact OE1-NH2 2.99Å; V201-R203 PolarHBondContact O-N 2.84Å; R203-I206 PolarHBondContact O-N 3.45Å; R203-R207 WeakPolarHBondContact O-CB 3.47Å; R203-R207 PolarHBondContact O-N 3.37Å; R203-C274 VanDerWaalsContact CB-SG 3.55Å; R203-C274 VanDerWaalsContact CG-SG 3.57Å
204	G	91	Very high	90.9	Very high	30 Å²	30	56.8 Å²	56.8	31%	0.309	30%	0.296	S	S	.	.	H	α-helix	trans	-67.2	-40.8	178.4	0	0	0	0	0	111.9	D202 R207 N208	D202-G204 PolarHBondContact O-N 3.25Å; D202-G204 WeakPolarHBondContact OD1-CA 3.48Å; D202-G204 PolarHBondContact OD1-N 3.48Å; G204-R207 PolarHBondContact O-N 3.07Å; G204-N208 WeakPolarHBondContact O-CB 3.07Å; G204-N208 PolarHBondContact O-N 3.48Å; G204-N208 PolarHBondContact O-ND2 2.93Å; G204-N208 PolarHBondContact O-OD1 3.26Å
205	A	90.4	Very high	90.8	Very high	18 Å²	18	55 Å²	55	15%	0.149	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-43.5	175.7	0	0	0	0	0	112.3	L101 M191 D202 N208 A209	L101-A205 HydrophobicContact CD1-CB 4.05Å; M191-A205 HydrophobicContact CE-CB 4.48Å; D202-A205 HydrophobicContact CB-CB 4.09Å; D202-A205 PolarHBondContact O-N 3.1Å; D202-A205 PolarHBondContact OD1-N 3.1Å; D202-A205 VanDerWaalsContact OD1-N 3.13Å; A205-N208 PolarHBondContact O-N 3.02Å; A205-A209 WeakPolarHBondContact O-CB 3.42Å; A205-A209 PolarHBondContact O-N 3.23Å
206	I	92.6	Very high	90.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.2	-47.3	175.6	-58.9	172	0	0	0	110.1	L188 M191 I192 V201 D202 R203 N208 A209 C210 C274 L275	L188-I206 HydrophobicContact CD2-CB 4.49Å; L188-I206 HydrophobicContact CD2-CG1 4.33Å; L188-I206 HydrophobicContact CD2-CG2 4.48Å; M191-I206 HydrophobicContact CB-CD1 4.01Å; M191-I206 HydrophobicContact CB-CG1 4.42Å; M191-I206 HydrophobicContact CE-CD1 4.18Å; M191-I206 HydrophobicContact CE-CG1 3.87Å; M191-I206 HydrophobicContact SD-CG1 4.25Å; I192-I206 HydrophobicContact CG1-CD1 4.18Å; V201-I206 HydrophobicContact CG2-CD1 4.39Å; D202-I206 PolarHBondContact O-N 3.09Å; R203-I206 PolarHBondContact O-N 3.45Å; I206-N208 PolarHBondContact O-N 2.89Å; I206-A209 PolarHBondContact O-N 3.3Å; I206-C210 WeakPolarHBondContact O-CB 3.44Å; I206-C210 PolarHBondContact O-N 3.5Å; I206-C210 PolarHBondContact O-SG 3.47Å; I206-C274 HydrophobicContact CB-CB 4.33Å; I206-C274 HydrophobicContact CG2-CB 3.97Å; I206-L275 HydrophobicContact CG2-CD2 4.11Å
207	R	93.4	Very high	90.3	Very high	123 Å²	123	54 Å²	54	46%	0.464	29%	0.292	S	S	.	.	H	α-helix	trans	-59.4	-47.1	179.6	-162.6	-173.3	88.1	-177.7	6.1	112.1	R203 G204 A209 C210 Q211 C274	R203-R207 WeakPolarHBondContact O-CB 3.47Å; R203-R207 PolarHBondContact O-N 3.37Å; G204-R207 PolarHBondContact O-N 3.07Å; R207-A209 PolarHBondContact O-N 3.41Å; R207-C210 PolarHBondContact O-N 3.01Å; R207-Q211 HydrophobicContact CG-CG 4.5Å; R207-Q211 WeakPolarHBondContact O-CB 3.47Å; R207-Q211 VanDerWaalsContact O-CG 3.25Å; R207-Q211 WeakPolarHBondContact O-CG 3.37Å; R207-Q211 PolarHBondContact O-N 3.27Å; R207-C274 VanDerWaalsContact CA-O 3.32Å; R207-C274 WeakPolarHBondContact CA-O 3.28Å
208	N	92.8	Very high	90	Very high	48 Å²	48	49.4 Å²	49.4	26%	0.257	27%	0.274	S	S	.	.	H	α-helix	trans	-64.3	-41.4	-179.1	-66.6	-19	0	0	0	111.4	N105 G204 A205 I206 Q211 M212	N105-N208 PolarHBondContact ND2-ND2 2.87Å; G204-N208 WeakPolarHBondContact O-CB 3.07Å; G204-N208 PolarHBondContact O-N 3.48Å; G204-N208 PolarHBondContact O-ND2 2.93Å; G204-N208 PolarHBondContact O-OD1 3.26Å; A205-N208 PolarHBondContact O-N 3.02Å; I206-N208 PolarHBondContact O-N 2.89Å; N208-Q211 PolarHBondContact O-N 2.84Å; N208-M212 WeakPolarHBondContact O-CB 3.23Å; N208-M212 PolarHBondContact O-N 3.18Å
209	A	92.6	Very high	89.2	Confident	9 Å²	9	55.5 Å²	55.5	7%	0.074	29%	0.285	C	S	.	.	H	α-helix	trans	-64.3	-43.6	175.7	0	0	0	0	0	112.1	L184 L188 A205 I206 R207 M212 L213	L184-A209 HydrophobicContact CD1-CB 4.44Å; L188-A209 HydrophobicContact CD1-CB 4.04Å; L188-A209 HydrophobicContact CD2-CB 3.84Å; A205-A209 WeakPolarHBondContact O-CB 3.42Å; A205-A209 PolarHBondContact O-N 3.23Å; I206-A209 PolarHBondContact O-N 3.3Å; R207-A209 PolarHBondContact O-N 3.41Å; A209-M212 WeakPolarHBondContact O-CB 3.38Å; A209-M212 PolarHBondContact O-N 2.95Å; A209-L213 WeakPolarHBondContact O-CG 3.47Å; A209-L213 PolarHBondContact O-N 2.59Å
210	C	92.9	Very high	88.6	Confident	4 Å²	4	53.1 Å²	53.1	3%	0.027	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-43.6	176.1	-66.9	0	0	0	0	111.7	I206 R207 M212 L213 M214 Y224	I206-C210 WeakPolarHBondContact O-CB 3.44Å; I206-C210 PolarHBondContact O-N 3.5Å; I206-C210 PolarHBondContact O-SG 3.47Å; R207-C210 PolarHBondContact O-N 3.01Å; C210-M212 VanDerWaalsContact C-N 3.35Å; C210-M212 PolarHBondContact O-N 3.18Å; C210-L213 PolarHBondContact O-N 2.96Å; C210-M214 WeakPolarHBondContact O-CG 3.32Å; C210-M214 PolarHBondContact O-N 3.37Å; C210-Y224 HydrophobicContact CB-CD2 4.43Å; C210-Y224 HydrophobicContact CB-CE2 3.78Å
211	Q	91.8	Very high	88.6	Confident	90 Å²	90	48.9 Å²	48.9	42%	0.421	25%	0.252	S	S	.	.	H	α-helix	trans	-61.8	-41.5	176.2	-75.1	176.5	-13.1	0	0	112	R207 N208 M214 I215	R207-Q211 HydrophobicContact CG-CG 4.5Å; R207-Q211 WeakPolarHBondContact O-CB 3.47Å; R207-Q211 VanDerWaalsContact O-CG 3.25Å; R207-Q211 WeakPolarHBondContact O-CG 3.37Å; R207-Q211 PolarHBondContact O-N 3.27Å; N208-Q211 PolarHBondContact O-N 2.84Å; Q211-M214 PolarHBondContact O-N 3.32Å; Q211-I215 VanDerWaalsContact O-CG1 3.27Å; Q211-I215 WeakPolarHBondContact O-CG1 3.45Å; Q211-I215 PolarHBondContact O-N 2.95Å
212	M	93.3	Very high	88.4	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.02	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-50.2	173	175.2	-171.8	72.7	0	0	111.1	L104 W108 F170 V175 L184 N208 A209 C210 M214 I215 L216	L104-M212 HydrophobicContact CD2-CE 4Å; L104-M212 HydrophobicContact CG-CE 4.33Å; L104-M212 HydrophobicContact CG-SD 4.4Å; W108-M212 HydrophobicContact CB-CG 4.5Å; W108-M212 HydrophobicContact CB-SD 3.89Å; W108-M212 HydrophobicContact CD2-CB 4.44Å; W108-M212 HydrophobicContact CD2-CG 3.65Å; W108-M212 HydrophobicContact CD2-SD 4.11Å; W108-M212 HydrophobicContact CE3-CG 4.2Å; W108-M212 HydrophobicContact CG-CB 4.34Å; W108-M212 HydrophobicContact CG-CG 3.78Å; W108-M212 HydrophobicContact CG-SD 3.81Å; W108-M212 HydrophobicContact CZ2-CG 4.22Å; F170-M212 HydrophobicContact CE1-SD 4.09Å; V175-M212 HydrophobicContact CG2-CE 4.07Å; V175-M212 HydrophobicContact CG2-SD 4.32Å; L184-M212 HydrophobicContact CD2-CE 4.17Å; N208-M212 WeakPolarHBondContact O-CB 3.23Å; N208-M212 PolarHBondContact O-N 3.18Å; A209-M212 WeakPolarHBondContact O-CB 3.38Å; A209-M212 PolarHBondContact O-N 2.95Å; C210-M212 VanDerWaalsContact C-N 3.35Å; C210-M212 PolarHBondContact O-N 3.18Å; M212-M214 VanDerWaalsContact C-N 3.27Å; M212-M214 PolarHBondContact O-N 3.38Å; M212-I215 PolarHBondContact O-N 3.15Å; M212-I215 VanDerWaalsContact O-N 3.15Å; M212-L216 HydrophobicContact CG-CD1 3.85Å; M212-L216 HydrophobicContact CG-CG 4.34Å; M212-L216 VanDerWaalsContact O-CG 3.26Å; M212-L216 WeakPolarHBondContact O-CG 3.24Å; M212-L216 PolarHBondContact O-N 3.01Å
213	L	91.8	Very high	88.5	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-36.6	179.3	-68.8	173.6	0	0	0	112.5	V175 L184 A209 C210 G217 V223 Y224 F228	V175-L213 HydrophobicContact CG1-CD2 3.84Å; L184-L213 HydrophobicContact CD2-CD2 4.37Å; A209-L213 WeakPolarHBondContact O-CG 3.47Å; A209-L213 PolarHBondContact O-N 2.59Å; C210-L213 PolarHBondContact O-N 2.96Å; L213-G217 PolarHBondContact O-N 3Å; L213-V223 HydrophobicContact CD2-CG1 3.93Å; L213-Y224 HydrophobicContact CB-CD2 4.11Å; L213-F228 HydrophobicContact CD1-CB 3.77Å; L213-F228 HydrophobicContact CD1-CG 4.5Å
214	M	90.6	Very high	88.6	Confident	45 Å²	45	40.3 Å²	40.3	22%	0.222	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-47.4	173.4	-73	-65	-68.9	0	0	111.9	C210 Q211 M212 L216 G217 R221 Y224 D276	C210-M214 WeakPolarHBondContact O-CG 3.32Å; C210-M214 PolarHBondContact O-N 3.37Å; Q211-M214 PolarHBondContact O-N 3.32Å; M212-M214 VanDerWaalsContact C-N 3.27Å; M212-M214 PolarHBondContact O-N 3.38Å; M214-L216 VanDerWaalsContact C-N 3.3Å; M214-L216 PolarHBondContact O-N 3.25Å; M214-G217 PolarHBondContact O-N 3.35Å; M214-G217 VanDerWaalsContact O-N 3.09Å; M214-R221 HydrophobicContact CE-CB 4.02Å; M214-R221 HydrophobicContact SD-CB 3.95Å; M214-Y224 HydrophobicContact CG-CD2 4.09Å; M214-Y224 HydrophobicContact CG-CG 4.04Å; M214-Y224 WeakPolarHBondContact SD-CB 3.25Å; M214-Y224 HydrophobicContact SD-CD1 3.75Å; M214-Y224 HydrophobicContact SD-CD2 4.16Å; M214-Y224 HydrophobicContact SD-CG 3.51Å; M214-Y224 VanDerWaalsContact SD-CG 3.51Å; M214-D276 HydrophobicContact CE-CB 4.46Å; M214-D276 HydrophobicContact CG-CB 4.38Å; M214-D276 HydrophobicContact SD-CB 4.31Å
215	I	89.1	Confident	88.7	Confident	66 Å²	66	42.5 Å²	42.5	34%	0.338	22%	0.22	S	C	.	.	H	α-helix	trans	-64.2	-35.7	179.9	-65.1	163.7	0	0	0	111.5	W108 L167 Q211 M212 G217 L218	W108-I215 HydrophobicContact CH2-CB 4.39Å; W108-I215 HydrophobicContact CH2-CG2 3.86Å; W108-I215 HydrophobicContact CZ2-CB 3.93Å; W108-I215 HydrophobicContact CZ2-CD1 4.2Å; W108-I215 HydrophobicContact CZ2-CG2 3.66Å; L167-I215 HydrophobicContact CD1-CG2 3.85Å; Q211-I215 VanDerWaalsContact O-CG1 3.27Å; Q211-I215 WeakPolarHBondContact O-CG1 3.45Å; Q211-I215 PolarHBondContact O-N 2.95Å; M212-I215 PolarHBondContact O-N 3.15Å; M212-I215 VanDerWaalsContact O-N 3.15Å; I215-G217 PolarHBondContact O-N 3.03Å; I215-L218 PolarHBondContact O-N 3.22Å; I215-L218 VanDerWaalsContact O-N 3.1Å
216	L	89.2	Confident	88.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-14.9	176.7	-67.8	171.7	0	0	0	113.5	W108 L167 F170 R171 V175 M212 M214 L218 V223	W108-L216 HydrophobicContact CE3-CD2 4.45Å; W108-L216 HydrophobicContact CH2-CD2 3.67Å; W108-L216 HydrophobicContact CH2-CG 4.11Å; W108-L216 HydrophobicContact CZ3-CD2 3.52Å; W108-L216 HydrophobicContact CZ3-CG 4.25Å; L167-L216 HydrophobicContact CB-CD2 4.44Å; L167-L216 WeakPolarHBondContact O-CD2 3.37Å; F170-L216 HydrophobicContact CB-CD2 4.47Å; F170-L216 HydrophobicContact CD1-CD1 4.42Å; F170-L216 HydrophobicContact CD1-CD2 4.04Å; R171-L216 HydrophobicContact CB-CB 4.39Å; R171-L216 HydrophobicContact CB-CD2 4.05Å; R171-L216 HydrophobicContact CG-CB 4.41Å; V175-L216 HydrophobicContact CB-CD1 4.18Å; V175-L216 HydrophobicContact CG1-CD1 4.27Å; V175-L216 HydrophobicContact CG2-CD1 3.72Å; M212-L216 HydrophobicContact CG-CD1 3.85Å; M212-L216 HydrophobicContact CG-CG 4.34Å; M212-L216 VanDerWaalsContact O-CG 3.26Å; M212-L216 WeakPolarHBondContact O-CG 3.24Å; M212-L216 PolarHBondContact O-N 3.01Å; M214-L216 VanDerWaalsContact C-N 3.3Å; M214-L216 PolarHBondContact O-N 3.25Å; L216-L218 PolarHBondContact O-N 3.28Å; L216-V223 HydrophobicContact CB-CB 4.49Å; L216-V223 HydrophobicContact CB-CG1 4.1Å; L216-V223 HydrophobicContact CB-CG2 4.47Å
217	G	82.8	Confident	88.5	Confident	10 Å²	10	47.5 Å²	47.5	10%	0.103	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-5.6	171.2	0	0	0	0	0	114.7	L213 M214 I215 E219 G220	L213-G217 PolarHBondContact O-N 3Å; M214-G217 PolarHBondContact O-N 3.35Å; M214-G217 VanDerWaalsContact O-N 3.09Å; I215-G217 PolarHBondContact O-N 3.03Å; G217-E219 PolarHBondContact O-N 3.44Å; G217-G220 CarbonylContact C-O 3.56Å; G217-G220 VanDerWaalsContact C-O 3.32Å; G217-G220 VanDerWaalsContact CA-O 3.32Å; G217-G220 WeakPolarHBondContact CA-O 3.45Å; G217-G220 PolarHBondContact O-N 3.35Å
218	L	81.1	Confident	88.6	Confident	54 Å²	54	41.7 Å²	41.7	28%	0.283	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-100.6	-177.5	-58.3	177.4	0	0	0	112.7	N164 L167 I168 I215 L216	N164-L218 HydrophobicContact CB-CD1 4.27Å; N164-L218 HydrophobicContact CB-CD2 3.9Å; L167-L218 HydrophobicContact CB-CD2 3.9Å; L167-L218 HydrophobicContact CD1-CD2 3.7Å; L167-L218 HydrophobicContact CG-CD2 4.32Å; I168-L218 HydrophobicContact CD1-CD1 3.84Å; I168-L218 HydrophobicContact CG1-CD1 3.81Å; I215-L218 PolarHBondContact O-N 3.22Å; I215-L218 VanDerWaalsContact O-N 3.1Å; L216-L218 PolarHBondContact O-N 3.28Å
219	E	71.8	Confident	88.7	Confident	196 Å²	196	39.8 Å²	39.8	92%	0.916	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-3.4	179.9	-61	-170.1	165	0	0	113	G217	G217-E219 PolarHBondContact O-N 3.44Å
220	G	78.3	Confident	88.7	Confident	39 Å²	39	42 Å²	42	40%	0.402	23%	0.226	S	C	.	.	S	Bend	trans	-137.9	-173.7	-178.2	0	0	0	0	0	113.3	G217	G217-G220 CarbonylContact C-O 3.56Å; G217-G220 VanDerWaalsContact C-O 3.32Å; G217-G220 VanDerWaalsContact CA-O 3.32Å; G217-G220 WeakPolarHBondContact CA-O 3.45Å; G217-G220 PolarHBondContact O-N 3.35Å
221	R	87.3	Confident	88.8	Confident	58 Å²	58	42.9 Å²	42.9	22%	0.219	23%	0.232	C	C	.	.	S	Bend	trans	-114.1	13.1	-177.7	63.8	-178.5	-62.8	-145.5	13.6	113.9	M214 V223 Y224 E225 E229 T278	M214-R221 HydrophobicContact CE-CB 4.02Å; M214-R221 HydrophobicContact SD-CB 3.95Å; R221-V223 VanDerWaalsContact C-N 3.3Å; R221-V223 PolarHBondContact O-N 3.37Å; R221-Y224 PolarHBondContact O-N 3.39Å; R221-Y224 VanDerWaalsContact O-N 3.1Å; R221-E225 WeakPolarHBondContact CD-OE1 3.42Å; R221-E225 VanDerWaalsContact CG-CD 3.43Å; R221-E225 HydrophobicContact CG-CG 3.86Å; R221-E225 VanDerWaalsContact CG-OE1 3.3Å; R221-E225 WeakPolarHBondContact CG-OE1 3.26Å; R221-E225 IonicContact CZ-OE1 3.75Å; R221-E225 IonicContact NE-OE1 2.78Å; R221-E225 PolarHBondContact NE-OE1 3.45Å; R221-E225 IonicContact NH1-OE1 3.37Å; R221-E225 PolarHBondContact NH1-OE1 2.91Å; R221-E225 WeakPolarHBondContact O-CB 3.35Å; R221-E225 PolarHBondContact O-N 3.49Å; R221-E229 IonicContact CZ-OE1 2.73Å; R221-E229 IonicContact CZ-OE2 3.78Å; R221-E229 VanDerWaalsContact CZ-OE2 3.28Å; R221-E229 IonicContact NE-OE2 3.75Å; R221-E229 IonicContact NH1-OE2 3.33Å; R221-E229 IonicContact NH2-OE1 2.64Å; R221-E229 PolarHBondContact NH2-OE1 2.93Å; R221-E229 IonicContact NH2-OE2 2.67Å; R221-E229 PolarHBondContact NH2-OE2 3.43Å; R221-T278 VanDerWaalsContact CZ-OG1 3.23Å; R221-T278 PolarHBondContact NH2-OG1 3.49Å
222	S	86.5	Confident	89	Confident	50 Å²	50	38.6 Å²	38.6	35%	0.35	21%	0.212	S	C	.	.	H	α-helix	trans	-57.4	-39.7	-173.1	54.1	0	0	0	0	113.4	E225 E226	S222-E225 PolarHBondContact O-N 2.88Å; S222-E226 VanDerWaalsContact O-CB 3.24Å; S222-E226 WeakPolarHBondContact O-CB 3.4Å; S222-E226 VanDerWaalsContact O-CG 3.23Å; S222-E226 WeakPolarHBondContact O-CG 3.45Å; S222-E226 PolarHBondContact O-N 3.39Å
223	V	89.6	Confident	89.2	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.4	-44.2	178.5	-180	0	0	0	0	110.8	R171 L213 L216 R221 D227	R171-V223 VanDerWaalsContact CD-CG2 3.49Å; R171-V223 HydrophobicContact CG-CG2 4.22Å; L213-V223 HydrophobicContact CD2-CG1 3.93Å; L216-V223 HydrophobicContact CB-CB 4.49Å; L216-V223 HydrophobicContact CB-CG1 4.1Å; L216-V223 HydrophobicContact CB-CG2 4.47Å; R221-V223 VanDerWaalsContact C-N 3.3Å; R221-V223 PolarHBondContact O-N 3.37Å; V223-D227 WeakPolarHBondContact O-CB 3.44Å; V223-D227 PolarHBondContact O-N 3.47Å
224	Y	92.9	Very high	89.3	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.2	-45.4	175.2	179.1	-99.9	0	0	0	112.2	C210 L213 M214 R221 F228 E229 D276 T279	C210-Y224 HydrophobicContact CB-CD2 4.43Å; C210-Y224 HydrophobicContact CB-CE2 3.78Å; L213-Y224 HydrophobicContact CB-CD2 4.11Å; M214-Y224 HydrophobicContact CG-CD2 4.09Å; M214-Y224 HydrophobicContact CG-CG 4.04Å; M214-Y224 WeakPolarHBondContact SD-CB 3.25Å; M214-Y224 HydrophobicContact SD-CD1 3.75Å; M214-Y224 HydrophobicContact SD-CD2 4.16Å; M214-Y224 HydrophobicContact SD-CG 3.51Å; M214-Y224 VanDerWaalsContact SD-CG 3.51Å; R221-Y224 PolarHBondContact O-N 3.39Å; R221-Y224 VanDerWaalsContact O-N 3.1Å; Y224-F228 HydrophobicContact CD2-CD1 4.17Å; Y224-F228 AromaticContact CE2-CD1 3.45Å; Y224-F228 HydrophobicContact CE2-CD1 3.45Å; Y224-F228 VanDerWaalsContact CE2-CD1 3.45Å; Y224-F228 HydrophobicContact CE2-CE1 4Å; Y224-F228 HydrophobicContact CE2-CG 4.39Å; Y224-F228 AromaticContact CZ-CD1 3.69Å; Y224-F228 AromaticContact CZ-CE1 3.99Å; Y224-F228 PolarHBondContact O-N 3.2Å; Y224-F228 VanDerWaalsContact O-N 3.12Å; Y224-E229 HydrophobicContact CD1-CB 4.04Å; Y224-E229 HydrophobicContact CE1-CB 3.8Å; Y224-E229 HydrophobicContact CE1-CG 4.05Å; Y224-E229 PolarHBondContact O-N 3.48Å; Y224-D276 HydrophobicContact CE1-CB 4.29Å; Y224-T279 WeakPolarHBondContact CE1-OG1 3.42Å; Y224-T279 PolarHBondContact OH-OG1 3.01Å; Y224-T279 VanDerWaalsContact OH-OG1 3.06Å
225	E	91.1	Very high	89.5	Confident	75 Å²	75	45.8 Å²	45.8	35%	0.35	25%	0.247	S	C	.	.	I	π-helix	trans	-60.9	-51.9	-180	-82.1	179.8	169.5	0	0	112.1	R221 S222 E229 A230	R221-E225 WeakPolarHBondContact CD-OE1 3.42Å; R221-E225 VanDerWaalsContact CG-CD 3.43Å; R221-E225 HydrophobicContact CG-CG 3.86Å; R221-E225 VanDerWaalsContact CG-OE1 3.3Å; R221-E225 WeakPolarHBondContact CG-OE1 3.26Å; R221-E225 IonicContact CZ-OE1 3.75Å; R221-E225 IonicContact NE-OE1 2.78Å; R221-E225 PolarHBondContact NE-OE1 3.45Å; R221-E225 IonicContact NH1-OE1 3.37Å; R221-E225 PolarHBondContact NH1-OE1 2.91Å; R221-E225 WeakPolarHBondContact O-CB 3.35Å; R221-E225 PolarHBondContact O-N 3.49Å; S222-E225 PolarHBondContact O-N 2.88Å; E225-E229 VanDerWaalsContact CG-OE2 3.23Å; E225-E229 WeakPolarHBondContact CG-OE2 3.43Å; E225-E229 PolarHBondContact O-N 3.33Å; E225-A230 WeakPolarHBondContact O-CB 3.39Å; E225-A230 PolarHBondContact O-N 2.88Å
226	E	90.9	Very high	89.9	Confident	111 Å²	111	42.7 Å²	42.7	52%	0.519	23%	0.23	S	C	.	.	I	π-helix	trans	-74.1	-44.7	-175.6	-68.3	170.6	-177.9	0	0	112.5	R176 S222	R176-E226 IonicContact CZ-OE2 2.63Å; R176-E226 IonicContact NH1-OE2 3.93Å; R176-E226 IonicContact NH2-OE2 2.65Å; R176-E226 PolarHBondContact NH2-OE2 3.1Å; S222-E226 VanDerWaalsContact O-CB 3.24Å; S222-E226 WeakPolarHBondContact O-CB 3.4Å; S222-E226 VanDerWaalsContact O-CG 3.23Å; S222-E226 WeakPolarHBondContact O-CG 3.45Å; S222-E226 PolarHBondContact O-N 3.39Å
227	D	89.6	Confident	90.2	Very high	13 Å²	13	43.2 Å²	43.2	7%	0.07	24%	0.235	C	C	.	.	I	π-helix	trans	-86.9	-23.4	-168.9	-63.6	-43.8	0	0	0	112.4	R176 R181 R185 V223	R176-D227 IonicContact CZ-OD2 3.61Å; R176-D227 IonicContact NE-OD2 2.9Å; R176-D227 PolarHBondContact NE-OD2 3.27Å; R176-D227 IonicContact NH2-OD2 3.63Å; R176-D227 PolarHBondContact NH2-OD2 3.06Å; R181-D227 WeakPolarHBondContact CD-OD1 3.4Å; R185-D227 PolarHBondContact NE-O 2.84Å; R185-D227 IonicContact NH2-OD1 2.88Å; V223-D227 WeakPolarHBondContact O-CB 3.44Å; V223-D227 PolarHBondContact O-N 3.47Å
228	F	94	Very high	90.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	I	π-helix	trans	-131.6	-56.9	-177.7	174.5	-98.2	0	0	0	115.2	L188 L189 I192 L213 Y224 A230 P231 F232 L275	L188-F228 HydrophobicContact CB-CD2 4.03Å; L188-F228 HydrophobicContact CB-CE2 3.72Å; L188-F228 HydrophobicContact CD1-CD2 3.79Å; L188-F228 HydrophobicContact CD1-CE2 4.11Å; L189-F228 HydrophobicContact CD2-CE2 4.33Å; I192-F228 HydrophobicContact CD1-CE2 4.1Å; I192-F228 HydrophobicContact CD1-CZ 3.73Å; L213-F228 HydrophobicContact CD1-CB 3.77Å; L213-F228 HydrophobicContact CD1-CG 4.5Å; Y224-F228 HydrophobicContact CD2-CD1 4.17Å; Y224-F228 AromaticContact CE2-CD1 3.45Å; Y224-F228 HydrophobicContact CE2-CD1 3.45Å; Y224-F228 VanDerWaalsContact CE2-CD1 3.45Å; Y224-F228 HydrophobicContact CE2-CE1 4Å; Y224-F228 HydrophobicContact CE2-CG 4.39Å; Y224-F228 AromaticContact CZ-CD1 3.69Å; Y224-F228 AromaticContact CZ-CE1 3.99Å; Y224-F228 PolarHBondContact O-N 3.2Å; Y224-F228 VanDerWaalsContact O-N 3.12Å; F228-A230 PolarHBondContact O-N 2.75Å; F228-P231 VanDerWaalsContact O-CD 3.32Å; F228-P231 WeakPolarHBondContact O-CD 3.46Å; F228-F232 HydrophobicContact CE1-CB 4.14Å; F228-F232 HydrophobicContact CE1-CG 4.27Å; F228-F232 HydrophobicContact CE2-CB 4.31Å; F228-F232 HydrophobicContact CZ-CB 4.02Å; F228-F232 HydrophobicContact CZ-CD2 4.35Å; F228-F232 HydrophobicContact CZ-CG 4.11Å; F228-F232 VanDerWaalsContact O-CB 3.24Å; F228-F232 WeakPolarHBondContact O-CB 3.47Å; F228-F232 PolarHBondContact O-N 2.85Å; F228-L275 HydrophobicContact CE1-CD2 3.74Å; F228-L275 HydrophobicContact CZ-CD2 3.77Å
229	E	94.8	Very high	91.4	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.037	25%	0.25	C	C	.	.	I	π-helix	trans	-65.4	-46	-166.4	-169.4	-177.2	-175	0	0	113	R221 Y224 E225 F232 L233 T279	R221-E229 IonicContact CZ-OE1 2.73Å; R221-E229 IonicContact CZ-OE2 3.78Å; R221-E229 VanDerWaalsContact CZ-OE2 3.28Å; R221-E229 IonicContact NE-OE2 3.75Å; R221-E229 IonicContact NH1-OE2 3.33Å; R221-E229 IonicContact NH2-OE1 2.64Å; R221-E229 PolarHBondContact NH2-OE1 2.93Å; R221-E229 IonicContact NH2-OE2 2.67Å; R221-E229 PolarHBondContact NH2-OE2 3.43Å; Y224-E229 HydrophobicContact CD1-CB 4.04Å; Y224-E229 HydrophobicContact CE1-CB 3.8Å; Y224-E229 HydrophobicContact CE1-CG 4.05Å; Y224-E229 PolarHBondContact O-N 3.48Å; E225-E229 VanDerWaalsContact CG-OE2 3.23Å; E225-E229 WeakPolarHBondContact CG-OE2 3.43Å; E225-E229 PolarHBondContact O-N 3.33Å; E229-F232 WeakPolarHBondContact O-CB 3.42Å; E229-F232 PolarHBondContact O-N 2.92Å; E229-L233 HydrophobicContact CG-CD1 4.07Å; E229-L233 HydrophobicContact CG-CG 4.32Å; E229-L233 VanDerWaalsContact O-CG 3.26Å; E229-L233 WeakPolarHBondContact O-CG 3.43Å; E229-L233 PolarHBondContact O-N 3.35Å; E229-T279 HydrophobicContact CG-CG2 3.96Å
230	A	94.5	Very high	92.6	Very high	56 Å²	56	38.1 Å²	38.1	46%	0.463	21%	0.206	S	C	.	.	H	α-helix	trans	-60.9	-49.9	178.4	0	0	0	0	0	112	E225 F228 F232 L233 E234	E225-A230 WeakPolarHBondContact O-CB 3.39Å; E225-A230 PolarHBondContact O-N 2.88Å; F228-A230 PolarHBondContact O-N 2.75Å; A230-F232 VanDerWaalsContact C-N 3.3Å; A230-F232 PolarHBondContact O-N 3.05Å; A230-L233 PolarHBondContact O-N 3.49Å; A230-E234 PolarHBondContact O-N 3.15Å
231	P	94.8	Very high	93.4	Very high	23 Å²	23	40.1 Å²	40.1	15%	0.149	21%	0.205	C	C	.	.	H	α-helix	trans	-57.7	-37.9	170.5	-25.5	32	0	0	0	114.2	R185 L189 F228 E234 M235	R185-P231 HydrophobicContact CG-CB 4.21Å; R185-P231 HydrophobicContact CG-CG 4.43Å; L189-P231 HydrophobicContact CD1-CB 4.16Å; F228-P231 VanDerWaalsContact O-CD 3.32Å; F228-P231 WeakPolarHBondContact O-CD 3.46Å; P231-E234 PolarHBondContact O-N 2.79Å; P231-M235 WeakPolarHBondContact O-CB 3.47Å; P231-M235 PolarHBondContact O-N 2.79Å
232	F	95.4	Very high	93.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.7	-44.1	176.9	162.5	-107.2	0	0	0	112	L189 I192 F228 E229 A230 M235 S236 L275 T279 I283	L189-F232 VanDerWaalsContact CD2-CA 3.48Å; L189-F232 HydrophobicContact CD2-CB 3.77Å; L189-F232 HydrophobicContact CD2-CD2 4.32Å; I192-F232 HydrophobicContact CD1-CD2 3.9Å; I192-F232 HydrophobicContact CD1-CE2 4Å; I192-F232 HydrophobicContact CG2-CE2 3.99Å; F228-F232 HydrophobicContact CE1-CB 4.14Å; F228-F232 HydrophobicContact CE1-CG 4.27Å; F228-F232 HydrophobicContact CE2-CB 4.31Å; F228-F232 HydrophobicContact CZ-CB 4.02Å; F228-F232 HydrophobicContact CZ-CD2 4.35Å; F228-F232 HydrophobicContact CZ-CG 4.11Å; F228-F232 VanDerWaalsContact O-CB 3.24Å; F228-F232 WeakPolarHBondContact O-CB 3.47Å; F228-F232 PolarHBondContact O-N 2.85Å; E229-F232 WeakPolarHBondContact O-CB 3.42Å; E229-F232 PolarHBondContact O-N 2.92Å; A230-F232 VanDerWaalsContact C-N 3.3Å; A230-F232 PolarHBondContact O-N 3.05Å; F232-M235 HydrophobicContact CD2-CE 4.44Å; F232-S236 WeakPolarHBondContact CE2-OG 3.5Å; F232-S236 WeakPolarHBondContact O-CB 3.35Å; F232-S236 PolarHBondContact O-N 3.2Å; F232-S236 PolarHBondContact O-OG 2.64Å; F232-L275 HydrophobicContact CE1-CD1 3.89Å; F232-L275 HydrophobicContact CZ-CD1 3.9Å; F232-T279 HydrophobicContact CD1-CG2 4.21Å; F232-T279 HydrophobicContact CE1-CG2 3.93Å; F232-I283 HydrophobicContact CE1-CB 4.23Å; F232-I283 HydrophobicContact CE1-CD1 3.82Å; F232-I283 HydrophobicContact CE1-CG1 4.06Å; F232-I283 HydrophobicContact CZ-CD1 3.74Å; F232-I283 HydrophobicContact CZ-CG1 4Å
233	L	96.6	Very high	93.9	Very high	34 Å²	34	42 Å²	42	18%	0.178	21%	0.213	C	C	.	.	H	α-helix	trans	-66.8	-37.8	177.3	-67.3	173.8	0	0	0	111.5	E229 A230 S236 A237 P282 I283 V286	E229-L233 HydrophobicContact CG-CD1 4.07Å; E229-L233 HydrophobicContact CG-CG 4.32Å; E229-L233 VanDerWaalsContact O-CG 3.26Å; E229-L233 WeakPolarHBondContact O-CG 3.43Å; E229-L233 PolarHBondContact O-N 3.35Å; A230-L233 PolarHBondContact O-N 3.49Å; L233-S236 PolarHBondContact O-N 2.9Å; L233-A237 WeakPolarHBondContact O-CB 3.45Å; L233-A237 PolarHBondContact O-N 3.49Å; L233-P282 HydrophobicContact CD1-CB 3.74Å; L233-P282 HydrophobicContact CD2-CB 3.99Å; L233-I283 HydrophobicContact CD2-CB 4.01Å; L233-I283 HydrophobicContact CD2-CD1 3.99Å; L233-V286 HydrophobicContact CB-CG2 4.4Å; L233-V286 HydrophobicContact CD2-CG2 4.11Å
234	E	95.3	Very high	94	Very high	130 Å²	130	42 Å²	42	61%	0.607	21%	0.213	S	C	*	.	H	α-helix	trans	-64.6	-53.1	176.1	-173.2	170	-155.1	0	0	111.7	A230 P231 S236 A237 E238	A230-E234 PolarHBondContact O-N 3.15Å; P231-E234 PolarHBondContact O-N 2.79Å; E234-S236 PolarHBondContact O-N 2.62Å; E234-A237 WeakPolarHBondContact O-CB 3.38Å; E234-A237 PolarHBondContact O-N 3.03Å; E234-E238 PolarHBondContact O-N 3.45Å
235	M	94.9	Very high	94	Very high	39 Å²	39	47.4 Å²	47.4	19%	0.192	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-38	175.2	-177.5	-163.2	67.3	0	0	111.8	L189 P231 F232 E238 F239	L189-M235 HydrophobicContact CB-CE 4.17Å; L189-M235 HydrophobicContact CB-SD 3.71Å; L189-M235 HydrophobicContact CD1-SD 4.46Å; L189-M235 HydrophobicContact CD2-CE 3.84Å; L189-M235 HydrophobicContact CD2-SD 4.14Å; L189-M235 HydrophobicContact CG-SD 4.3Å; P231-M235 WeakPolarHBondContact O-CB 3.47Å; P231-M235 PolarHBondContact O-N 2.79Å; F232-M235 HydrophobicContact CD2-CE 4.44Å; M235-E238 PolarHBondContact O-N 3.5Å; M235-F239 WeakPolarHBondContact O-CB 3.41Å; M235-F239 PolarHBondContact O-N 3.26Å
236	S	95.7	Very high	94	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.2	-38.9	176.6	-60.8	0	0	0	0	112	R196 F232 L233 E234 F239 F240	R196-S236 PolarHBondContact NH1-OG 3.35Å; R196-S236 PolarHBondContact NH2-OG 2.81Å; F232-S236 WeakPolarHBondContact CE2-OG 3.5Å; F232-S236 WeakPolarHBondContact O-CB 3.35Å; F232-S236 PolarHBondContact O-N 3.2Å; F232-S236 PolarHBondContact O-OG 2.64Å; L233-S236 PolarHBondContact O-N 2.9Å; E234-S236 PolarHBondContact O-N 2.62Å; S236-F239 PolarHBondContact O-N 2.92Å; S236-F240 WeakPolarHBondContact O-CD2 3.48Å; S236-F240 PolarHBondContact O-N 3.49Å
237	A	96.1	Very high	94	Very high	12 Å²	12	45 Å²	45	10%	0.099	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-45.6	175.5	0	0	0	0	0	111.4	L233 E234 F240 Q241 V286 E290	L233-A237 WeakPolarHBondContact O-CB 3.45Å; L233-A237 PolarHBondContact O-N 3.49Å; E234-A237 WeakPolarHBondContact O-CB 3.38Å; E234-A237 PolarHBondContact O-N 3.03Å; A237-F240 PolarHBondContact O-N 3.32Å; A237-Q241 VanDerWaalsContact O-CB 3.28Å; A237-Q241 WeakPolarHBondContact O-CB 3.46Å; A237-Q241 PolarHBondContact O-N 3.33Å; A237-V286 HydrophobicContact CB-CG1 3.76Å; A237-E290 HydrophobicContact CB-CG 4.23Å
238	E	95.1	Very high	94.1	Very high	108 Å²	108	45.6 Å²	45.6	51%	0.505	23%	0.228	S	C	.	.	H	α-helix	trans	-62	-43.4	176.4	-67.3	-177.7	170.3	0	0	112.1	E234 M235 Q241 M242	E234-E238 PolarHBondContact O-N 3.45Å; M235-E238 PolarHBondContact O-N 3.5Å; E238-Q241 PolarHBondContact O-N 2.69Å; E238-M242 WeakPolarHBondContact O-CE 3.43Å; E238-M242 PolarHBondContact O-N 2.75Å
239	F	94.7	Very high	93.8	Very high	44 Å²	44	49.9 Å²	49.9	19%	0.193	26%	0.263	C	S	.	.	H	α-helix	trans	-58	-51.7	176.1	176.1	-92.7	0	0	0	111.7	R196 M235 S236 Q241 M242 E243	R196-F239 HydrophobicContact CB-CE2 4.39Å; R196-F239 HydrophobicContact CB-CZ 4.05Å; M235-F239 WeakPolarHBondContact O-CB 3.41Å; M235-F239 PolarHBondContact O-N 3.26Å; S236-F239 PolarHBondContact O-N 2.92Å; F239-Q241 VanDerWaalsContact C-N 3.31Å; F239-Q241 PolarHBondContact O-N 2.76Å; F239-M242 PolarHBondContact O-N 2.76Å; F239-E243 VanDerWaalsContact O-CB 3.3Å; F239-E243 WeakPolarHBondContact O-CB 3.5Å; F239-E243 PolarHBondContact O-N 2.91Å
240	F	95.9	Very high	93.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-69.9	-28.2	-179.3	-69.8	-54	0	0	0	112.9	S236 A237 E243 S244 R263 E267 V286 V287 E290 L291	S236-F240 WeakPolarHBondContact O-CD2 3.48Å; S236-F240 PolarHBondContact O-N 3.49Å; A237-F240 PolarHBondContact O-N 3.32Å; F240-E243 PolarHBondContact O-N 3.01Å; F240-S244 WeakPolarHBondContact O-CB 3.42Å; F240-S244 PolarHBondContact O-N 3.32Å; F240-S244 PolarHBondContact O-OG 2.97Å; F240-R263 HydrophobicContact CE1-CB 4.39Å; F240-R263 HydrophobicContact CE1-CG 4.38Å; F240-E267 HydrophobicContact CE2-CG 4.31Å; F240-E267 HydrophobicContact CZ-CG 3.83Å; F240-E267 WeakPolarHBondContact CZ-OE1 3.3Å; F240-V286 HydrophobicContact CD2-CG1 4.49Å; F240-V287 HydrophobicContact CD2-CG2 3.99Å; F240-V287 HydrophobicContact CE2-CG2 3.47Å; F240-V287 VanDerWaalsContact CE2-CG2 3.47Å; F240-V287 HydrophobicContact CZ-CG2 3.8Å; F240-E290 HydrophobicContact CB-CB 3.77Å; F240-E290 HydrophobicContact CB-CG 4.33Å; F240-L291 HydrophobicContact CB-CD2 3.89Å; F240-L291 HydrophobicContact CB-CG 4.2Å; F240-L291 HydrophobicContact CD1-CD1 3.96Å; F240-L291 HydrophobicContact CD1-CD2 4.17Å; F240-L291 HydrophobicContact CD1-CG 4.23Å; F240-L291 HydrophobicContact CE1-CD1 4.43Å; F240-L291 HydrophobicContact CG-CD2 4.4Å; F240-L291 HydrophobicContact CG-CG 4.4Å; F240-L291 WeakPolarHBondContact O-CD2 3.36Å
241	Q	94.8	Very high	93.3	Very high	82 Å²	82	55.2 Å²	55.2	38%	0.383	28%	0.28	S	S	.	.	H	α-helix	trans	-65.4	-44.4	172.7	-174.5	-179.5	18.8	0	0	111.8	A237 E238 F239 S244 Q245	A237-Q241 VanDerWaalsContact O-CB 3.28Å; A237-Q241 WeakPolarHBondContact O-CB 3.46Å; A237-Q241 PolarHBondContact O-N 3.33Å; E238-Q241 PolarHBondContact O-N 2.69Å; F239-Q241 VanDerWaalsContact C-N 3.31Å; F239-Q241 PolarHBondContact O-N 2.76Å; Q241-S244 PolarHBondContact O-OG 3.13Å; Q241-Q245 WeakPolarHBondContact O-CG 3.23Å
242	M	92.6	Very high	93.1	Very high	127 Å²	127	56.3 Å²	56.3	63%	0.626	29%	0.288	S	S	*	.	H	α-helix	trans	-68.2	-40.2	175.3	-70.4	-176.8	-78.3	0	0	111.6	E238 F239 K246	E238-M242 WeakPolarHBondContact O-CE 3.43Å; E238-M242 PolarHBondContact O-N 2.75Å; F239-M242 PolarHBondContact O-N 2.76Å; M242-K246 PolarHBondContact O-N 2.69Å
243	E	92.2	Very high	92.9	Very high	20 Å²	20	56.3 Å²	56.3	9%	0.093	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-43.2	-178	-175.3	168.4	-117.2	0	0	112.6	F239 F240 Q245 K246 F247 R263	F239-E243 VanDerWaalsContact O-CB 3.3Å; F239-E243 WeakPolarHBondContact O-CB 3.5Å; F239-E243 PolarHBondContact O-N 2.91Å; F240-E243 PolarHBondContact O-N 3.01Å; E243-Q245 PolarHBondContact O-N 3.01Å; E243-K246 PolarHBondContact O-N 3.32Å; E243-F247 VanDerWaalsContact CD-CZ 3.44Å; E243-F247 HydrophobicContact CG-CD2 3.65Å; E243-F247 HydrophobicContact CG-CE1 4.03Å; E243-F247 HydrophobicContact CG-CE2 3.07Å; E243-F247 HydrophobicContact CG-CG 4.32Å; E243-F247 HydrophobicContact CG-CZ 3.26Å; E243-F247 WeakPolarHBondContact O-CG 3.32Å; E243-F247 PolarHBondContact O-N 2.77Å; E243-F247 WeakPolarHBondContact OE1-CE2 3.47Å; E243-F247 WeakPolarHBondContact OE1-CZ 3.45Å; E243-R263 IonicContact OE1-CZ 2.73Å; E243-R263 IonicContact OE1-NE 2.77Å; E243-R263 PolarHBondContact OE1-NE 3.4Å; E243-R263 IonicContact OE1-NH2 3.07Å; E243-R263 PolarHBondContact OE1-NH2 2.92Å; E243-R263 IonicContact OE2-CZ 3.37Å; E243-R263 IonicContact OE2-NE 3.73Å; E243-R263 PolarHBondContact OE2-NE 3.36Å; E243-R263 IonicContact OE2-NH2 3.36Å
244	S	93.1	Very high	92.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.3	-47.8	177	46.7	0	0	0	0	112.2	F240 Q241 K246 F247 L248 H295	F240-S244 WeakPolarHBondContact O-CB 3.42Å; F240-S244 PolarHBondContact O-N 3.32Å; F240-S244 PolarHBondContact O-OG 2.97Å; Q241-S244 PolarHBondContact O-OG 3.13Å; S244-K246 VanDerWaalsContact C-N 3.34Å; S244-K246 PolarHBondContact O-N 3.41Å; S244-F247 PolarHBondContact O-N 3.05Å; S244-L248 WeakPolarHBondContact O-CB 3.43Å; S244-L248 VanDerWaalsContact O-CG 3.23Å; S244-L248 WeakPolarHBondContact O-CG 3.13Å; S244-L248 PolarHBondContact O-N 3.21Å; S244-H295 PolarHBondContact OG-NE2 3.05Å
245	Q	91.3	Very high	92.3	Very high	114 Å²	114	52.4 Å²	52.4	53%	0.533	28%	0.275	S	S	.	.	H	α-helix	trans	-59.2	-45.4	179.5	-68.8	177.7	14.5	0	0	111.8	Q241 E243 A249	Q241-Q245 WeakPolarHBondContact O-CG 3.23Å; E243-Q245 PolarHBondContact O-N 3.01Å; Q245-A249 PolarHBondContact O-N 3.43Å
246	K	91.6	Very high	92.2	Very high	116 Å²	116	50.6 Å²	50.6	50%	0.504	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-48.2	177.2	-175.4	178.3	179	178.6	0	111.5	M242 E243 S244 L248 A249 E250	M242-K246 PolarHBondContact O-N 2.69Å; E243-K246 PolarHBondContact O-N 3.32Å; S244-K246 VanDerWaalsContact C-N 3.34Å; S244-K246 PolarHBondContact O-N 3.41Å; K246-L248 PolarHBondContact O-N 3.27Å; K246-A249 PolarHBondContact O-N 3.06Å; K246-E250 WeakPolarHBondContact CE-OE1 3.37Å; K246-E250 WeakPolarHBondContact CE-OE2 3.32Å; K246-E250 WeakPolarHBondContact CG-OE1 3.39Å; K246-E250 WeakPolarHBondContact O-CG 3.38Å; K246-E250 PolarHBondContact O-N 3.09Å; K246-E250 VanDerWaalsContact O-N 3.16Å
247	F	91.1	Very high	92.1	Very high	19 Å²	19	50.8 Å²	50.8	8%	0.083	27%	0.267	C	S	.	.	H	α-helix	trans	-69.1	-35.9	-176.3	-66.6	-12.7	0	0	0	113.2	E243 S244 A249 E250 N251 Y256 K259	E243-F247 VanDerWaalsContact CD-CZ 3.44Å; E243-F247 HydrophobicContact CG-CD2 3.65Å; E243-F247 HydrophobicContact CG-CE1 4.03Å; E243-F247 HydrophobicContact CG-CE2 3.07Å; E243-F247 HydrophobicContact CG-CG 4.32Å; E243-F247 HydrophobicContact CG-CZ 3.26Å; E243-F247 WeakPolarHBondContact O-CG 3.32Å; E243-F247 PolarHBondContact O-N 2.77Å; E243-F247 WeakPolarHBondContact OE1-CE2 3.47Å; E243-F247 WeakPolarHBondContact OE1-CZ 3.45Å; S244-F247 PolarHBondContact O-N 3.05Å; F247-A249 VanDerWaalsContact C-N 3.28Å; F247-A249 PolarHBondContact O-N 3.09Å; F247-E250 PolarHBondContact O-N 3.43Å; F247-N251 VanDerWaalsContact O-CB 3.29Å; F247-N251 WeakPolarHBondContact O-CB 3.29Å; F247-N251 PolarHBondContact O-N 3.38Å; F247-N251 PolarHBondContact O-ND2 2.91Å; F247-Y256 HydrophobicContact CB-CD2 3.73Å; F247-Y256 HydrophobicContact CB-CE2 3.9Å; F247-K259 HydrophobicContact CD1-CD 4.49Å; F247-K259 HydrophobicContact CD2-CD 3.52Å; F247-K259 HydrophobicContact CD2-CG 4.11Å; F247-K259 HydrophobicContact CE1-CD 4.38Å; F247-K259 HydrophobicContact CE2-CD 3.33Å; F247-K259 HydrophobicContact CE2-CG 3.87Å; F247-K259 HydrophobicContact CG-CD 4.12Å; F247-K259 HydrophobicContact CZ-CD 3.85Å
248	L	90.6	Very high	91.8	Very high	26 Å²	26	56.1 Å²	56.1	14%	0.136	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-31.5	175.2	-72.1	169.3	0	0	0	112.4	S244 K246 Y256 H295 I299 M302	S244-L248 WeakPolarHBondContact O-CB 3.43Å; S244-L248 VanDerWaalsContact O-CG 3.23Å; S244-L248 WeakPolarHBondContact O-CG 3.13Å; S244-L248 PolarHBondContact O-N 3.21Å; K246-L248 PolarHBondContact O-N 3.27Å; L248-Y256 HydrophobicContact CD1-CE2 4.46Å; L248-Y256 HydrophobicContact CD2-CD1 4.16Å; L248-Y256 HydrophobicContact CD2-CD2 3.78Å; L248-Y256 HydrophobicContact CD2-CE1 4.12Å; L248-Y256 HydrophobicContact CD2-CE2 3.72Å; L248-Y256 HydrophobicContact CD2-CG 4Å; L248-Y256 HydrophobicContact CG-CD2 4Å; L248-Y256 HydrophobicContact CG-CE2 3.62Å; L248-H295 HydrophobicContact CD1-CB 3.88Å; L248-I299 HydrophobicContact CD2-CG1 3.94Å; L248-M302 HydrophobicContact CD2-CE 3.67Å
249	A	88.8	Confident	91.7	Very high	89 Å²	89	54.7 Å²	54.7	74%	0.736	28%	0.28	S	S	*	.	H	α-helix	trans	-76.5	-34.9	177.5	0	0	0	0	0	113	Q245 K246 F247	Q245-A249 PolarHBondContact O-N 3.43Å; K246-A249 PolarHBondContact O-N 3.06Å; F247-A249 VanDerWaalsContact C-N 3.28Å; F247-A249 PolarHBondContact O-N 3.09Å
250	E	89.3	Confident	91.7	Very high	126 Å²	126	52.7 Å²	52.7	59%	0.589	27%	0.271	S	S	*	.	H	α-helix	trans	-97.4	-16.5	-171.2	-67.4	173	179.6	0	0	114.1	K246 F247	K246-E250 WeakPolarHBondContact CE-OE1 3.37Å; K246-E250 WeakPolarHBondContact CE-OE2 3.32Å; K246-E250 WeakPolarHBondContact CG-OE1 3.39Å; K246-E250 WeakPolarHBondContact O-CG 3.38Å; K246-E250 PolarHBondContact O-N 3.09Å; K246-E250 VanDerWaalsContact O-N 3.16Å; F247-E250 PolarHBondContact O-N 3.43Å
251	N	89.4	Confident	91.5	Very high	50 Å²	50	56.5 Å²	56.5	27%	0.267	29%	0.289	S	S	.	.	S	Bend	trans	-130.2	157.8	-167.7	-57.8	-88.7	0	0	0	113.4	F247 V255	F247-N251 VanDerWaalsContact O-CB 3.29Å; F247-N251 WeakPolarHBondContact O-CB 3.29Å; F247-N251 PolarHBondContact O-N 3.38Å; F247-N251 PolarHBondContact O-ND2 2.91Å; N251-V255 HydrophobicContact CB-CB 4.21Å; N251-V255 HydrophobicContact CB-CG1 4.05Å
252	S	90.2	Very high	91.4	Very high	46 Å²	46	54.6 Å²	54.6	32%	0.322	29%	0.288	S	S	.	.			trans	-74.3	158.5	170.8	66.3	0	0	0	0	112.1	S254 V255 Y256	S252-S254 VanDerWaalsContact C-N 3.31Å; S252-S254 PolarHBondContact O-N 3.04Å; S252-V255 PolarHBondContact O-N 3.36Å; S252-V255 VanDerWaalsContact O-N 3.1Å; S252-V255 WeakPolarHBondContact OG-CG2 3.35Å; S252-Y256 PolarHBondContact O-N 2.65Å
253	A	90.6	Very high	91.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-54.3	-42.2	179.3	0	0	0	0	0	113.3	V255 Y256 I257 I299 M302 S305 M310 M322	A253-V255 PolarHBondContact O-N 2.92Å; A253-Y256 PolarHBondContact O-N 2.82Å; A253-I257 WeakPolarHBondContact O-CD1 3.25Å; A253-I257 WeakPolarHBondContact O-CG1 3.27Å; A253-I257 PolarHBondContact O-N 2.56Å; A253-I299 HydrophobicContact CB-CG2 4.43Å; A253-M302 HydrophobicContact CB-SD 3.98Å; A253-M302 PolarHBondContact N-SD 3.17Å; A253-M302 VanDerWaalsContact N-SD 3.43Å; A253-S305 WeakPolarHBondContact CB-O 3.11Å; A253-S305 PolarHBondContact N-OG 3.4Å; A253-S305 VanDerWaalsContact N-OG 3.16Å; A253-M310 HydrophobicContact CB-CE 4.1Å; A253-M322 HydrophobicContact CB-CE 4.5Å
254	S	88.4	Confident	91.6	Very high	16 Å²	16	49.2 Å²	49.2	11%	0.112	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-40.1	179	-49.1	0	0	0	0	112.5	S252 K258 M310 D318	S252-S254 VanDerWaalsContact C-N 3.31Å; S252-S254 PolarHBondContact O-N 3.04Å; S254-K258 WeakPolarHBondContact O-CG 3.1Å; S254-K258 PolarHBondContact O-N 3.11Å; S254-M310 WeakPolarHBondContact OG-CE 3.48Å; S254-D318 PolarHBondContact OG-OD2 3.46Å
255	V	91.7	Very high	91.7	Very high	67 Å²	67	52.9 Å²	52.9	41%	0.406	28%	0.279	S	S	.	.	H	α-helix	trans	-70.2	-42.3	177.9	174.9	0	0	0	0	110.3	N251 S252 A253 I257 K258 K259	N251-V255 HydrophobicContact CB-CB 4.21Å; N251-V255 HydrophobicContact CB-CG1 4.05Å; S252-V255 PolarHBondContact O-N 3.36Å; S252-V255 VanDerWaalsContact O-N 3.1Å; S252-V255 WeakPolarHBondContact OG-CG2 3.35Å; A253-V255 PolarHBondContact O-N 2.92Å; V255-I257 PolarHBondContact O-N 2.93Å; V255-K258 PolarHBondContact O-N 3Å; V255-K259 WeakPolarHBondContact O-CB 3.34Å; V255-K259 PolarHBondContact O-N 2.97Å
256	Y	93.4	Very high	91.8	Very high	1 Å²	1	51.1 Å²	51.1	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-56.8	-50.1	174.8	-176.8	-93.1	0	0	0	111.4	F247 L248 S252 A253 K258 K259 V260 L291 I299	F247-Y256 HydrophobicContact CB-CD2 3.73Å; F247-Y256 HydrophobicContact CB-CE2 3.9Å; L248-Y256 HydrophobicContact CD1-CE2 4.46Å; L248-Y256 HydrophobicContact CD2-CD1 4.16Å; L248-Y256 HydrophobicContact CD2-CD2 3.78Å; L248-Y256 HydrophobicContact CD2-CE1 4.12Å; L248-Y256 HydrophobicContact CD2-CE2 3.72Å; L248-Y256 HydrophobicContact CD2-CG 4Å; L248-Y256 HydrophobicContact CG-CD2 4Å; L248-Y256 HydrophobicContact CG-CE2 3.62Å; S252-Y256 PolarHBondContact O-N 2.65Å; A253-Y256 PolarHBondContact O-N 2.82Å; Y256-K258 PolarHBondContact O-N 3.06Å; Y256-K259 WeakPolarHBondContact O-CB 3Å; Y256-K259 PolarHBondContact O-N 3Å; Y256-V260 HydrophobicContact CD1-CG2 3.9Å; Y256-V260 HydrophobicContact CE1-CG2 3.48Å; Y256-V260 VanDerWaalsContact CE1-CG2 3.48Å; Y256-V260 HydrophobicContact CE2-CG2 4.46Å; Y256-V260 WeakPolarHBondContact O-CG2 3.3Å; Y256-V260 PolarHBondContact O-N 3.12Å; Y256-L291 WeakPolarHBondContact CE1-O 3.45Å; Y256-L291 PolarHBondContact OH-O 2.79Å; Y256-I299 HydrophobicContact CD1-CD1 3.99Å; Y256-I299 HydrophobicContact CD1-CG1 4.12Å; Y256-I299 HydrophobicContact CE1-CD1 3.51Å; Y256-I299 HydrophobicContact CE1-CG1 4.01Å
257	I	92.3	Very high	92	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-56.4	-48.2	179.7	-70.7	161.1	0	0	0	111.7	A253 V255 K259 V260 E261 M310 C321 M322 L325	A253-I257 WeakPolarHBondContact O-CD1 3.25Å; A253-I257 WeakPolarHBondContact O-CG1 3.27Å; A253-I257 PolarHBondContact O-N 2.56Å; V255-I257 PolarHBondContact O-N 2.93Å; I257-K259 VanDerWaalsContact C-N 3.25Å; I257-K259 PolarHBondContact O-N 2.89Å; I257-V260 PolarHBondContact O-N 2.89Å; I257-E261 PolarHBondContact O-N 3.24Å; I257-M310 HydrophobicContact CD1-CE 4.49Å; I257-C321 HydrophobicContact CG2-CB 3.97Å; I257-M322 HydrophobicContact CD1-CB 3.8Å; I257-M322 HydrophobicContact CD1-CE 3.78Å; I257-M322 HydrophobicContact CD1-CG 4.06Å; I257-L325 HydrophobicContact CB-CD2 4.21Å; I257-L325 HydrophobicContact CG1-CD2 3.8Å; I257-L325 HydrophobicContact CG2-CB 4.29Å; I257-L325 HydrophobicContact CG2-CD2 4.04Å
258	K	91.4	Very high	92.1	Very high	125 Å²	125	47.1 Å²	47.1	54%	0.543	26%	0.256	S	S	.	.	H	α-helix	trans	-61.3	-36.9	177.8	-72.3	179.7	179.9	-179.3	0	111.9	S254 V255 Y256 E261 A262	S254-K258 WeakPolarHBondContact O-CG 3.1Å; S254-K258 PolarHBondContact O-N 3.11Å; V255-K258 PolarHBondContact O-N 3Å; Y256-K258 PolarHBondContact O-N 3.06Å; K258-E261 PolarHBondContact O-N 2.91Å; K258-A262 PolarHBondContact O-N 3.19Å
259	K	92.2	Very high	92.2	Very high	77 Å²	77	51.3 Å²	51.3	34%	0.335	27%	0.274	S	S	.	.	H	α-helix	trans	-70.1	-38.6	178.5	-162.5	160.8	-168.8	-177.5	0	112.3	F247 V255 Y256 I257 E261 A262 R263	F247-K259 HydrophobicContact CD1-CD 4.49Å; F247-K259 HydrophobicContact CD2-CD 3.52Å; F247-K259 HydrophobicContact CD2-CG 4.11Å; F247-K259 HydrophobicContact CE1-CD 4.38Å; F247-K259 HydrophobicContact CE2-CD 3.33Å; F247-K259 HydrophobicContact CE2-CG 3.87Å; F247-K259 HydrophobicContact CG-CD 4.12Å; F247-K259 HydrophobicContact CZ-CD 3.85Å; V255-K259 WeakPolarHBondContact O-CB 3.34Å; V255-K259 PolarHBondContact O-N 2.97Å; Y256-K259 WeakPolarHBondContact O-CB 3Å; Y256-K259 PolarHBondContact O-N 3Å; I257-K259 VanDerWaalsContact C-N 3.25Å; I257-K259 PolarHBondContact O-N 2.89Å; K259-E261 VanDerWaalsContact C-N 3.35Å; K259-A262 PolarHBondContact O-N 3.31Å; K259-R263 WeakPolarHBondContact O-CG 3.3Å; K259-R263 PolarHBondContact O-N 3.36Å
260	V	94.1	Very high	92.5	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-62.4	-44	173	178.2	0	0	0	0	110.7	Y256 I257 A262 R263 I264 L291 I292 L325	Y256-V260 HydrophobicContact CD1-CG2 3.9Å; Y256-V260 HydrophobicContact CE1-CG2 3.48Å; Y256-V260 VanDerWaalsContact CE1-CG2 3.48Å; Y256-V260 HydrophobicContact CE2-CG2 4.46Å; Y256-V260 WeakPolarHBondContact O-CG2 3.3Å; Y256-V260 PolarHBondContact O-N 3.12Å; I257-V260 PolarHBondContact O-N 2.89Å; V260-A262 PolarHBondContact O-N 3.43Å; V260-R263 PolarHBondContact O-N 3.07Å; V260-I264 HydrophobicContact CG1-CD1 4.06Å; V260-I264 WeakPolarHBondContact O-CG1 3.49Å; V260-I264 PolarHBondContact O-N 3.01Å; V260-L291 HydrophobicContact CB-CD1 4.47Å; V260-L291 HydrophobicContact CG1-CB 3.96Å; V260-L291 HydrophobicContact CG1-CD1 4.14Å; V260-L291 HydrophobicContact CG2-CB 3.89Å; V260-L291 HydrophobicContact CG2-CD1 4.12Å; V260-I292 HydrophobicContact CG1-CD1 4.12Å; V260-I292 HydrophobicContact CG1-CG1 3.84Å; V260-L325 HydrophobicContact CB-CD1 4.27Å; V260-L325 HydrophobicContact CG1-CD1 3.78Å
261	E	92.6	Very high	92.7	Very high	80 Å²	80	41.7 Å²	41.7	37%	0.374	21%	0.214	S	C	.	.	H	α-helix	trans	-61.4	-42.8	176.3	-173.9	170.3	-148.1	0	0	112	I257 K258 K259 I264 N265	I257-E261 PolarHBondContact O-N 3.24Å; K258-E261 PolarHBondContact O-N 2.91Å; K259-E261 VanDerWaalsContact C-N 3.35Å; E261-I264 PolarHBondContact O-N 3.07Å; E261-N265 PolarHBondContact O-N 3.27Å; E261-N265 VanDerWaalsContact O-N 3.12Å; E261-N265 PolarHBondContact O-ND2 2.84Å
262	A	93.5	Very high	92.8	Very high	42 Å²	42	45.9 Å²	45.9	35%	0.347	24%	0.235	S	C	.	.	H	α-helix	trans	-59.7	-46.5	173.6	0	0	0	0	0	111.9	K258 K259 V260 I264 N265 E266	K258-A262 PolarHBondContact O-N 3.19Å; K259-A262 PolarHBondContact O-N 3.31Å; V260-A262 PolarHBondContact O-N 3.43Å; A262-I264 PolarHBondContact O-N 3.04Å; A262-N265 PolarHBondContact O-N 2.98Å; A262-E266 WeakPolarHBondContact O-CG 3Å; A262-E266 PolarHBondContact O-N 3.04Å
263	R	94.1	Very high	92.8	Very high	33 Å²	33	47.9 Å²	47.9	13%	0.125	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-40.4	177.4	-73.5	-54.8	-163.2	-164.8	0.3	112.9	F240 E243 K259 V260 N265 E266 E267 L291	F240-R263 HydrophobicContact CE1-CB 4.39Å; F240-R263 HydrophobicContact CE1-CG 4.38Å; E243-R263 IonicContact OE1-CZ 2.73Å; E243-R263 IonicContact OE1-NE 2.77Å; E243-R263 PolarHBondContact OE1-NE 3.4Å; E243-R263 IonicContact OE1-NH2 3.07Å; E243-R263 PolarHBondContact OE1-NH2 2.92Å; E243-R263 IonicContact OE2-CZ 3.37Å; E243-R263 IonicContact OE2-NE 3.73Å; E243-R263 PolarHBondContact OE2-NE 3.36Å; E243-R263 IonicContact OE2-NH2 3.36Å; K259-R263 WeakPolarHBondContact O-CG 3.3Å; K259-R263 PolarHBondContact O-N 3.36Å; V260-R263 PolarHBondContact O-N 3.07Å; R263-N265 VanDerWaalsContact C-N 3.33Å; R263-N265 PolarHBondContact O-N 3.09Å; R263-E266 WeakPolarHBondContact CD-OE2 3.46Å; R263-E266 IonicContact CZ-OE2 2.89Å; R263-E266 IonicContact NE-OE2 3.55Å; R263-E266 IonicContact NH1-OE2 3.32Å; R263-E266 PolarHBondContact NH1-OE2 3.17Å; R263-E266 PolarHBondContact O-N 2.92Å; R263-E267 WeakPolarHBondContact O-CG 3.33Å; R263-E267 PolarHBondContact O-N 3.08Å; R263-L291 HydrophobicContact CB-CD1 4.23Å; R263-L291 HydrophobicContact CG-CD1 4.48Å
264	I	94.7	Very high	92.7	Very high	1 Å²	1	48 Å²	48	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-47.1	175.2	-69.4	168.1	0	0	0	110.2	V260 E261 A262 E267 I268 V287 E288	V260-I264 HydrophobicContact CG1-CD1 4.06Å; V260-I264 WeakPolarHBondContact O-CG1 3.49Å; V260-I264 PolarHBondContact O-N 3.01Å; E261-I264 PolarHBondContact O-N 3.07Å; A262-I264 PolarHBondContact O-N 3.04Å; I264-E267 PolarHBondContact O-N 3.17Å; I264-I268 HydrophobicContact CG2-CD1 3.8Å; I264-I268 VanDerWaalsContact O-CG1 3.3Å; I264-I268 WeakPolarHBondContact O-CG1 3.38Å; I264-I268 PolarHBondContact O-N 3.11Å; I264-V287 HydrophobicContact CG1-CB 4.41Å; I264-V287 HydrophobicContact CG1-CG1 3.63Å; I264-E288 HydrophobicContact CD1-CG 4.48Å
265	N	94.8	Very high	93	Very high	78 Å²	78	48 Å²	48	42%	0.417	24%	0.239	S	C	.	.	H	α-helix	trans	-65.7	-41.6	179.7	-67.1	-30.2	0	0	0	112.1	E261 A262 R263 E267 I268 E269	E261-N265 PolarHBondContact O-N 3.27Å; E261-N265 VanDerWaalsContact O-N 3.12Å; E261-N265 PolarHBondContact O-ND2 2.84Å; A262-N265 PolarHBondContact O-N 2.98Å; R263-N265 VanDerWaalsContact C-N 3.33Å; R263-N265 PolarHBondContact O-N 3.09Å; N265-E267 VanDerWaalsContact C-N 3.34Å; N265-E267 PolarHBondContact O-N 2.83Å; N265-I268 PolarHBondContact O-N 2.99Å; N265-E269 WeakPolarHBondContact O-CB 3.22Å; N265-E269 WeakPolarHBondContact O-CG 3.32Å; N265-E269 PolarHBondContact O-N 3.47Å
266	E	93.8	Very high	93	Very high	76 Å²	76	47.1 Å²	47.1	36%	0.355	23%	0.232	S	C	.	.	H	α-helix	trans	-60.5	-40.7	176	-73.3	170.4	-164.5	0	0	112.3	A262 R263 R270	A262-E266 WeakPolarHBondContact O-CG 3Å; A262-E266 PolarHBondContact O-N 3.04Å; R263-E266 WeakPolarHBondContact CD-OE2 3.46Å; R263-E266 IonicContact CZ-OE2 2.89Å; R263-E266 IonicContact NE-OE2 3.55Å; R263-E266 IonicContact NH1-OE2 3.32Å; R263-E266 PolarHBondContact NH1-OE2 3.17Å; R263-E266 PolarHBondContact O-N 2.92Å; E266-R270 WeakPolarHBondContact O-CB 3.27Å; E266-R270 PolarHBondContact O-N 3.06Å
267	E	94.9	Very high	92.9	Very high	1 Å²	1	55 Å²	55	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-68.3	-40.4	176	-65.4	-62.4	131.6	0	0	112.1	R196 F240 R263 I264 N265 R270 V271 I283 V287	R196-E267 IonicContact CZ-OE1 2.8Å; R196-E267 IonicContact CZ-OE2 3.36Å; R196-E267 IonicContact NE-OE1 3.01Å; R196-E267 PolarHBondContact NE-OE1 3.09Å; R196-E267 IonicContact NE-OE2 2.68Å; R196-E267 VanDerWaalsContact NH2-CD 3.3Å; R196-E267 IonicContact NH2-OE1 3.96Å; R196-E267 PolarHBondContact NH2-OE1 3.33Å; R196-E267 IonicContact NH2-OE2 3.83Å; R196-E267 PolarHBondContact NH2-OE2 2.91Å; F240-E267 HydrophobicContact CE2-CG 4.31Å; F240-E267 HydrophobicContact CZ-CG 3.83Å; F240-E267 WeakPolarHBondContact CZ-OE1 3.3Å; R263-E267 WeakPolarHBondContact O-CG 3.33Å; R263-E267 PolarHBondContact O-N 3.08Å; I264-E267 PolarHBondContact O-N 3.17Å; N265-E267 VanDerWaalsContact C-N 3.34Å; N265-E267 PolarHBondContact O-N 2.83Å; E267-R270 PolarHBondContact O-N 3.22Å; E267-R270 IonicContact OE1-CZ 3.94Å; E267-R270 IonicContact OE1-NH1 2.9Å; E267-R270 PolarHBondContact OE1-NH1 3.48Å; E267-R270 IonicContact OE1-NH2 3.9Å; E267-R270 IonicContact OE2-CZ 3.22Å; E267-R270 IonicContact OE2-NH1 2.84Å; E267-R270 PolarHBondContact OE2-NH1 3.05Å; E267-V271 WeakPolarHBondContact O-CG2 3.22Å; E267-V271 PolarHBondContact O-N 3.48Å; E267-I283 HydrophobicContact CB-CG1 4.21Å; E267-I283 HydrophobicContact CB-CG2 4.48Å; E267-I283 HydrophobicContact CG-CG1 4.23Å; E267-I283 WeakPolarHBondContact OE2-CG1 3.42Å; E267-V287 HydrophobicContact CG-CG2 3.83Å
268	I	93.9	Very high	92.9	Very high	51 Å²	51	58 Å²	58	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-62.2	-46	175.2	-68.2	166.5	0	0	0	110.3	I264 N265 R270 V271 L272 E280 V284	I264-I268 HydrophobicContact CG2-CD1 3.8Å; I264-I268 VanDerWaalsContact O-CG1 3.3Å; I264-I268 WeakPolarHBondContact O-CG1 3.38Å; I264-I268 PolarHBondContact O-N 3.11Å; N265-I268 PolarHBondContact O-N 2.99Å; I268-R270 VanDerWaalsContact C-N 3.32Å; I268-R270 PolarHBondContact O-N 3.28Å; I268-V271 PolarHBondContact O-N 2.89Å; I268-L272 PolarHBondContact O-N 3.45Å; I268-E280 HydrophobicContact CG1-CG 4.35Å; I268-V284 HydrophobicContact CD1-CG2 4.17Å; I268-V284 HydrophobicContact CG1-CG2 3.76Å
269	E	93.2	Very high	93.1	Very high	113 Å²	113	52 Å²	52	53%	0.528	26%	0.259	S	S	.	.	H	α-helix	trans	-62	-39.9	175.4	-75.5	-172.5	176	0	0	111.6	N265 V271 L272 H273	N265-E269 WeakPolarHBondContact O-CB 3.22Å; N265-E269 WeakPolarHBondContact O-CG 3.32Å; N265-E269 PolarHBondContact O-N 3.47Å; E269-V271 VanDerWaalsContact C-N 3.33Å; E269-V271 PolarHBondContact O-N 3.22Å; E269-L272 WeakPolarHBondContact O-CB 3.35Å; E269-L272 PolarHBondContact O-N 3.31Å; E269-H273 PolarHBondContact O-N 2.82Å; E269-H273 VanDerWaalsContact O-N 3.07Å; E269-H273 PolarHBondContact O-ND1 3.28Å
270	R	93.1	Very high	93.2	Very high	12 Å²	12	51.8 Å²	51.8	5%	0.045	26%	0.259	C	S	.	.	H	α-helix	trans	-61.1	-43.9	176.4	-174.9	179.4	-58.5	92.9	4.6	111.7	E195 E266 E267 I268 L272 H273 C274	E195-R270 WeakPolarHBondContact OE2-CD 3.32Å; E195-R270 IonicContact OE2-CZ 3.2Å; E195-R270 IonicContact OE2-NE 2.67Å; E195-R270 PolarHBondContact OE2-NE 3.04Å; E195-R270 IonicContact OE2-NH2 2.99Å; E266-R270 WeakPolarHBondContact O-CB 3.27Å; E266-R270 PolarHBondContact O-N 3.06Å; E267-R270 PolarHBondContact O-N 3.22Å; E267-R270 IonicContact OE1-CZ 3.94Å; E267-R270 IonicContact OE1-NH1 2.9Å; E267-R270 PolarHBondContact OE1-NH1 3.48Å; E267-R270 IonicContact OE1-NH2 3.9Å; E267-R270 IonicContact OE2-CZ 3.22Å; E267-R270 IonicContact OE2-NH1 2.84Å; E267-R270 PolarHBondContact OE2-NH1 3.05Å; I268-R270 VanDerWaalsContact C-N 3.32Å; I268-R270 PolarHBondContact O-N 3.28Å; R270-L272 VanDerWaalsContact C-N 3.34Å; R270-L272 PolarHBondContact O-N 3.29Å; R270-H273 PolarHBondContact O-N 3.26Å; R270-C274 WeakPolarHBondContact O-CB 3.19Å; R270-C274 PolarHBondContact O-N 3.47Å
271	V	94	Very high	93.3	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-59.8	-48.5	176.9	173	0	0	0	0	110.1	E267 I268 E269 H273 C274 L275 D276 E280 I283	E267-V271 WeakPolarHBondContact O-CG2 3.22Å; E267-V271 PolarHBondContact O-N 3.48Å; I268-V271 PolarHBondContact O-N 2.89Å; E269-V271 VanDerWaalsContact C-N 3.33Å; E269-V271 PolarHBondContact O-N 3.22Å; V271-H273 VanDerWaalsContact C-N 3.26Å; V271-H273 PolarHBondContact O-N 3.5Å; V271-C274 PolarHBondContact O-N 3.45Å; V271-L275 HydrophobicContact CB-CB 4.48Å; V271-L275 HydrophobicContact CG1-CB 4.35Å; V271-L275 HydrophobicContact CG2-CB 4.44Å; V271-L275 HydrophobicContact CG2-CD1 4.02Å; V271-L275 CarbonylContact O-C 3.53Å; V271-L275 PolarHBondContact O-N 3.15Å; V271-D276 WeakPolarHBondContact CG1-O 3.42Å; V271-E280 HydrophobicContact CG1-CB 3.94Å; V271-I283 HydrophobicContact CG2-CG2 3.82Å
272	L	92.4	Very high	93.5	Very high	138 Å²	138	55.5 Å²	55.5	72%	0.723	28%	0.279	S	S	*	.	H	α-helix	trans	-55.8	-38.6	179.4	-173.8	72.2	0	0	0	113.2	I268 E269 R270	I268-L272 PolarHBondContact O-N 3.45Å; E269-L272 WeakPolarHBondContact O-CB 3.35Å; E269-L272 PolarHBondContact O-N 3.31Å; R270-L272 VanDerWaalsContact C-N 3.34Å; R270-L272 PolarHBondContact O-N 3.29Å
273	H	90.1	Very high	93.6	Very high	89 Å²	89	53.5 Å²	53.5	41%	0.412	26%	0.263	S	S	.	.	H	α-helix	trans	-89.4	-34.4	-174.8	-68.5	90	0	0	0	113.9	E269 R270 V271	E269-H273 PolarHBondContact O-N 2.82Å; E269-H273 VanDerWaalsContact O-N 3.07Å; E269-H273 PolarHBondContact O-ND1 3.28Å; R270-H273 PolarHBondContact O-N 3.26Å; V271-H273 VanDerWaalsContact C-N 3.26Å; V271-H273 PolarHBondContact O-N 3.5Å
274	C	89.3	Confident	93.7	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.007	26%	0.262	C	S	.	.	H	α-helix	trans	-125.7	-24.7	-163.6	-51.2	0	0	0	0	114.9	R203 I206 R207 R270 V271	R203-C274 VanDerWaalsContact CB-SG 3.55Å; R203-C274 VanDerWaalsContact CG-SG 3.57Å; I206-C274 HydrophobicContact CB-CB 4.33Å; I206-C274 HydrophobicContact CG2-CB 3.97Å; R207-C274 VanDerWaalsContact CA-O 3.32Å; R207-C274 WeakPolarHBondContact CA-O 3.28Å; R270-C274 WeakPolarHBondContact O-CB 3.19Å; R270-C274 PolarHBondContact O-N 3.47Å; V271-C274 PolarHBondContact O-N 3.45Å
275	L	92.8	Very high	93.8	Very high	18 Å²	18	58.3 Å²	58.3	9%	0.094	29%	0.286	C	S	.	.	S	Bend	trans	-117.8	174.4	-170.4	-50.6	179.6	0	0	0	111.4	I206 F228 F232 V271 T279	I206-L275 HydrophobicContact CG2-CD2 4.11Å; F228-L275 HydrophobicContact CE1-CD2 3.74Å; F228-L275 HydrophobicContact CZ-CD2 3.77Å; F232-L275 HydrophobicContact CE1-CD1 3.89Å; F232-L275 HydrophobicContact CZ-CD1 3.9Å; V271-L275 HydrophobicContact CB-CB 4.48Å; V271-L275 HydrophobicContact CG1-CB 4.35Å; V271-L275 HydrophobicContact CG2-CB 4.44Å; V271-L275 HydrophobicContact CG2-CD1 4.02Å; V271-L275 CarbonylContact O-C 3.53Å; V271-L275 PolarHBondContact O-N 3.15Å; L275-T279 HydrophobicContact CD1-CG2 4.28Å
276	D	92.2	Very high	93.9	Very high	48 Å²	48	55.1 Å²	55.1	26%	0.257	27%	0.269	S	S	.	.			trans	-75.8	141.1	172.4	-169.8	-88.7	0	0	0	110.6	M214 Y224 V271 T278 T279	M214-D276 HydrophobicContact CE-CB 4.46Å; M214-D276 HydrophobicContact CG-CB 4.38Å; M214-D276 HydrophobicContact SD-CB 4.31Å; Y224-D276 HydrophobicContact CE1-CB 4.29Å; V271-D276 WeakPolarHBondContact CG1-O 3.42Å; D276-T278 PolarHBondContact O-N 3.43Å; D276-T278 VanDerWaalsContact O-N 3.08Å; D276-T278 VanDerWaalsContact OD1-CB 3.3Å; D276-T278 WeakPolarHBondContact OD1-CB 3.31Å; D276-T278 WeakPolarHBondContact OD1-CG2 3.38Å; D276-T278 PolarHBondContact OD1-N 2.91Å; D276-T278 PolarHBondContact OD1-OG1 2.91Å; D276-T279 VanDerWaalsContact O-CB 3.24Å; D276-T279 WeakPolarHBondContact O-CB 3.37Å; D276-T279 PolarHBondContact O-N 3.26Å; D276-T279 PolarHBondContact O-OG1 2.95Å
277	K	91.9	Very high	94	Very high	165 Å²	165	51.5 Å²	51.5	72%	0.717	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-54.4	-30.9	-179.6	-177.9	176.8	179.1	179	0	112.9	T279 E280	K277-T279 PolarHBondContact O-N 3.38Å; K277-T279 VanDerWaalsContact O-N 3.17Å; K277-E280 WeakPolarHBondContact O-CB 3.3Å; K277-E280 PolarHBondContact O-N 3.36Å
278	T	93	Very high	94	Very high	66 Å²	66	52.9 Å²	52.9	41%	0.405	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-64	-16.4	177.8	55.9	0	0	0	0	113.7	R221 D276 P282	R221-T278 VanDerWaalsContact CZ-OG1 3.23Å; R221-T278 PolarHBondContact NH2-OG1 3.49Å; D276-T278 PolarHBondContact O-N 3.43Å; D276-T278 VanDerWaalsContact O-N 3.08Å; D276-T278 VanDerWaalsContact OD1-CB 3.3Å; D276-T278 WeakPolarHBondContact OD1-CB 3.31Å; D276-T278 WeakPolarHBondContact OD1-CG2 3.38Å; D276-T278 PolarHBondContact OD1-N 2.91Å; D276-T278 PolarHBondContact OD1-OG1 2.91Å; T278-P282 WeakPolarHBondContact O-CD 3.24Å
279	T	94.5	Very high	94.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-81.3	-17.3	177.7	-44.8	0	0	0	0	113.1	Y224 E229 F232 L275 D276 K277 E281 P282 I283	Y224-T279 WeakPolarHBondContact CE1-OG1 3.42Å; Y224-T279 PolarHBondContact OH-OG1 3.01Å; Y224-T279 VanDerWaalsContact OH-OG1 3.06Å; E229-T279 HydrophobicContact CG-CG2 3.96Å; F232-T279 HydrophobicContact CD1-CG2 4.21Å; F232-T279 HydrophobicContact CE1-CG2 3.93Å; L275-T279 HydrophobicContact CD1-CG2 4.28Å; D276-T279 VanDerWaalsContact O-CB 3.24Å; D276-T279 WeakPolarHBondContact O-CB 3.37Å; D276-T279 PolarHBondContact O-N 3.26Å; D276-T279 PolarHBondContact O-OG1 2.95Å; K277-T279 PolarHBondContact O-N 3.38Å; K277-T279 VanDerWaalsContact O-N 3.17Å; T279-E281 PolarHBondContact O-N 3.06Å; T279-P282 VanDerWaalsContact O-CD 3.32Å; T279-P282 WeakPolarHBondContact O-CD 3.4Å; T279-I283 VanDerWaalsContact O-CG2 3.3Å; T279-I283 WeakPolarHBondContact O-CG2 3.27Å; T279-I283 PolarHBondContact O-N 3.43Å
280	E	95.3	Very high	94.2	Very high	72 Å²	72	50.7 Å²	50.7	34%	0.336	24%	0.242	S	C	.	.	H	α-helix	trans	-57.9	-51.5	-175.5	-168.3	-176.1	136.1	0	0	112.2	I268 V271 K277 I283 V284	I268-E280 HydrophobicContact CG1-CG 4.35Å; V271-E280 HydrophobicContact CG1-CB 3.94Å; K277-E280 WeakPolarHBondContact O-CB 3.3Å; K277-E280 PolarHBondContact O-N 3.36Å; E280-I283 WeakPolarHBondContact O-CG2 3.33Å; E280-V284 WeakPolarHBondContact O-CB 3.43Å; E280-V284 WeakPolarHBondContact O-CG2 3.34Å; E280-V284 PolarHBondContact O-N 3.25Å
281	E	95.5	Very high	94.3	Very high	124 Å²	124	50.2 Å²	50.2	58%	0.579	24%	0.241	S	C	*	.	H	α-helix	trans	-65.9	-46.5	-179.2	-179.5	-174.8	173.3	0	0	112.4	T279 K285	T279-E281 PolarHBondContact O-N 3.06Å; E281-K285 HydrophobicContact CG-CD 4.33Å; E281-K285 WeakPolarHBondContact O-CB 3.43Å; E281-K285 WeakPolarHBondContact O-CG 3.3Å; E281-K285 PolarHBondContact O-N 2.93Å; E281-K285 VanDerWaalsContact OE1-CE 3.24Å; E281-K285 WeakPolarHBondContact OE1-CE 3.41Å; E281-K285 IonicContact OE1-NZ 2.59Å; E281-K285 PolarHBondContact OE1-NZ 3.01Å
282	P	96.3	Very high	94.4	Very high	37 Å²	37	50.2 Å²	50.2	24%	0.24	24%	0.241	C	C	.	.	H	α-helix	trans	-56.2	-47.4	173.9	-28	33.3	0	0	0	114.7	L233 T278 T279 K285 V286	L233-P282 HydrophobicContact CD1-CB 3.74Å; L233-P282 HydrophobicContact CD2-CB 3.99Å; T278-P282 WeakPolarHBondContact O-CD 3.24Å; T279-P282 VanDerWaalsContact O-CD 3.32Å; T279-P282 WeakPolarHBondContact O-CD 3.4Å; P282-K285 PolarHBondContact O-N 3.47Å; P282-V286 WeakPolarHBondContact O-CG2 3.38Å; P282-V286 PolarHBondContact O-N 3.44Å; P282-V286 VanDerWaalsContact O-N 3.09Å
283	I	96.3	Very high	94.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69.3	-40.6	-177.7	-171	59.1	0	0	0	111.5	F232 L233 E267 V271 T279 E280 K285 V286 V287	F232-I283 HydrophobicContact CE1-CB 4.23Å; F232-I283 HydrophobicContact CE1-CD1 3.82Å; F232-I283 HydrophobicContact CE1-CG1 4.06Å; F232-I283 HydrophobicContact CZ-CD1 3.74Å; F232-I283 HydrophobicContact CZ-CG1 4Å; L233-I283 HydrophobicContact CD2-CB 4.01Å; L233-I283 HydrophobicContact CD2-CD1 3.99Å; E267-I283 HydrophobicContact CB-CG1 4.21Å; E267-I283 HydrophobicContact CB-CG2 4.48Å; E267-I283 HydrophobicContact CG-CG1 4.23Å; E267-I283 WeakPolarHBondContact OE2-CG1 3.42Å; V271-I283 HydrophobicContact CG2-CG2 3.82Å; T279-I283 VanDerWaalsContact O-CG2 3.3Å; T279-I283 WeakPolarHBondContact O-CG2 3.27Å; T279-I283 PolarHBondContact O-N 3.43Å; E280-I283 WeakPolarHBondContact O-CG2 3.33Å; I283-K285 VanDerWaalsContact C-N 3.3Å; I283-K285 PolarHBondContact O-N 3.36Å; I283-V286 WeakPolarHBondContact O-CB 3.31Å; I283-V286 PolarHBondContact O-N 3.39Å; I283-V286 VanDerWaalsContact O-N 3.07Å; I283-V287 WeakPolarHBondContact O-CG2 3.25Å; I283-V287 PolarHBondContact O-N 2.92Å
284	V	96.3	Very high	94.7	Very high	18 Å²	18	46.3 Å²	46.3	11%	0.109	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-42	175.8	171.3	0	0	0	0	110.4	I268 E280 V286 V287 E288	I268-V284 HydrophobicContact CD1-CG2 4.17Å; I268-V284 HydrophobicContact CG1-CG2 3.76Å; E280-V284 WeakPolarHBondContact O-CB 3.43Å; E280-V284 WeakPolarHBondContact O-CG2 3.34Å; E280-V284 PolarHBondContact O-N 3.25Å; V284-V286 VanDerWaalsContact C-N 3.3Å; V284-V286 PolarHBondContact O-N 2.89Å; V284-V287 PolarHBondContact O-N 2.72Å; V284-E288 HydrophobicContact CG1-CG 4.14Å; V284-E288 WeakPolarHBondContact O-CB 3.42Å; V284-E288 VanDerWaalsContact O-CG 3.31Å; V284-E288 WeakPolarHBondContact O-CG 3.28Å; V284-E288 PolarHBondContact O-N 3.07Å
285	K	96.1	Very high	94.9	Very high	116 Å²	116	47.6 Å²	47.6	50%	0.504	23%	0.228	S	C	.	.	H	α-helix	trans	-60.7	-36.4	174	-77.3	177.5	-176.1	168.6	0	112.9	E281 P282 I283 R289	E281-K285 HydrophobicContact CG-CD 4.33Å; E281-K285 WeakPolarHBondContact O-CB 3.43Å; E281-K285 WeakPolarHBondContact O-CG 3.3Å; E281-K285 PolarHBondContact O-N 2.93Å; E281-K285 VanDerWaalsContact OE1-CE 3.24Å; E281-K285 WeakPolarHBondContact OE1-CE 3.41Å; E281-K285 IonicContact OE1-NZ 2.59Å; E281-K285 PolarHBondContact OE1-NZ 3.01Å; P282-K285 PolarHBondContact O-N 3.47Å; I283-K285 VanDerWaalsContact C-N 3.3Å; I283-K285 PolarHBondContact O-N 3.36Å; K285-R289 WeakPolarHBondContact O-CB 3.36Å; K285-R289 PolarHBondContact O-N 3.25Å
286	V	96.9	Very high	94.8	Very high	12 Å²	12	48.1 Å²	48.1	7%	0.073	23%	0.23	C	C	.	.	H	α-helix	trans	-64.9	-47.8	174.5	171.3	0	0	0	0	110.4	L233 A237 F240 P282 I283 V284 E288 R289 E290	L233-V286 HydrophobicContact CB-CG2 4.4Å; L233-V286 HydrophobicContact CD2-CG2 4.11Å; A237-V286 HydrophobicContact CB-CG1 3.76Å; F240-V286 HydrophobicContact CD2-CG1 4.49Å; P282-V286 WeakPolarHBondContact O-CG2 3.38Å; P282-V286 PolarHBondContact O-N 3.44Å; P282-V286 VanDerWaalsContact O-N 3.09Å; I283-V286 WeakPolarHBondContact O-CB 3.31Å; I283-V286 PolarHBondContact O-N 3.39Å; I283-V286 VanDerWaalsContact O-N 3.07Å; V284-V286 VanDerWaalsContact C-N 3.3Å; V284-V286 PolarHBondContact O-N 2.89Å; V286-E288 PolarHBondContact O-N 3.48Å; V286-R289 PolarHBondContact O-N 3.19Å; V286-E290 HydrophobicContact CG1-CG 4.24Å; V286-E290 WeakPolarHBondContact O-CB 3.4Å; V286-E290 WeakPolarHBondContact O-CG 3.42Å; V286-E290 PolarHBondContact O-N 3.34Å
287	V	95.9	Very high	94.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-47.9	177.2	-177.8	0	0	0	0	111	F240 I264 E267 I283 V284 R289 E290 L291	F240-V287 HydrophobicContact CD2-CG2 3.99Å; F240-V287 HydrophobicContact CE2-CG2 3.47Å; F240-V287 VanDerWaalsContact CE2-CG2 3.47Å; F240-V287 HydrophobicContact CZ-CG2 3.8Å; I264-V287 HydrophobicContact CG1-CB 4.41Å; I264-V287 HydrophobicContact CG1-CG1 3.63Å; E267-V287 HydrophobicContact CG-CG2 3.83Å; I283-V287 WeakPolarHBondContact O-CG2 3.25Å; I283-V287 PolarHBondContact O-N 2.92Å; V284-V287 PolarHBondContact O-N 2.72Å; V287-R289 VanDerWaalsContact C-N 3.33Å; V287-R289 PolarHBondContact O-N 3.22Å; V287-E290 PolarHBondContact O-N 2.92Å; V287-L291 HydrophobicContact CG1-CD1 3.67Å; V287-L291 HydrophobicContact CG1-CG 4.18Å; V287-L291 VanDerWaalsContact O-CB 3.31Å; V287-L291 WeakPolarHBondContact O-CB 3.33Å; V287-L291 PolarHBondContact O-N 3.44Å
288	E	95.7	Very high	94.8	Very high	29 Å²	29	48 Å²	48	14%	0.136	23%	0.233	C	C	.	.	I	π-helix	trans	-64.8	-35.2	179.4	-71.5	178.1	163.4	0	0	112.3	I264 V284 V286 I292 S293 R328 V329	I264-E288 HydrophobicContact CD1-CG 4.48Å; V284-E288 HydrophobicContact CG1-CG 4.14Å; V284-E288 WeakPolarHBondContact O-CB 3.42Å; V284-E288 VanDerWaalsContact O-CG 3.31Å; V284-E288 WeakPolarHBondContact O-CG 3.28Å; V284-E288 PolarHBondContact O-N 3.07Å; V286-E288 PolarHBondContact O-N 3.48Å; E288-I292 HydrophobicContact CB-CD1 4.31Å; E288-I292 HydrophobicContact CG-CD1 4.11Å; E288-I292 VanDerWaalsContact O-CB 3.28Å; E288-I292 WeakPolarHBondContact O-CB 3.34Å; E288-I292 PolarHBondContact O-N 2.85Å; E288-S293 PolarHBondContact O-N 3.1Å; E288-S293 PolarHBondContact O-OG 3.25Å; E288-S293 VanDerWaalsContact O-OG 3.12Å; E288-R328 WeakPolarHBondContact OE1-CB 3.19Å; E288-R328 IonicContact OE1-NH1 3.93Å; E288-R328 PolarHBondContact OE1-NH1 3.2Å; E288-V329 HydrophobicContact CB-CG1 4Å
289	R	95.8	Very high	94.8	Very high	115 Å²	115	44.8 Å²	44.8	43%	0.434	21%	0.214	S	C	.	.	I	π-helix	trans	-69	-51.7	175.5	-174.2	-174.5	71.7	-155.6	-1.3	111.5	K285 V286 V287 S293 K294	K285-R289 WeakPolarHBondContact O-CB 3.36Å; K285-R289 PolarHBondContact O-N 3.25Å; V286-R289 PolarHBondContact O-N 3.19Å; V287-R289 VanDerWaalsContact C-N 3.33Å; V287-R289 PolarHBondContact O-N 3.22Å; R289-S293 WeakPolarHBondContact O-CB 3.47Å; R289-S293 PolarHBondContact O-N 3.15Å; R289-K294 PolarHBondContact O-N 3.16Å; R289-K294 VanDerWaalsContact O-N 3.1Å
290	E	95.9	Very high	94.7	Very high	3 Å²	3	44.9 Å²	44.9	1%	0.014	22%	0.215	C	C	.	.	I	π-helix	trans	-74.9	-45	-172.9	-63.2	-53.7	138.1	0	0	112.3	A237 F240 V286 V287 K294 H295	A237-E290 HydrophobicContact CB-CG 4.23Å; F240-E290 HydrophobicContact CB-CB 3.77Å; F240-E290 HydrophobicContact CB-CG 4.33Å; V286-E290 HydrophobicContact CG1-CG 4.24Å; V286-E290 WeakPolarHBondContact O-CB 3.4Å; V286-E290 WeakPolarHBondContact O-CG 3.42Å; V286-E290 PolarHBondContact O-N 3.34Å; V287-E290 PolarHBondContact O-N 2.92Å; E290-K294 WeakPolarHBondContact OE1-CE 3.02Å; E290-K294 IonicContact OE1-NZ 3.95Å; E290-K294 PolarHBondContact OE1-NZ 3.4Å; E290-K294 WeakPolarHBondContact OE2-CD 3.46Å; E290-K294 WeakPolarHBondContact OE2-CE 3.36Å; E290-K294 IonicContact OE2-NZ 3.77Å; E290-K294 PolarHBondContact OE2-NZ 3.34Å; E290-H295 PolarHBondContact O-CD2 3.09Å; E290-H295 PolarHBondContact O-NE2 3.42Å
291	L	95.1	Very high	94.5	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.016	23%	0.227	C	C	.	.	I	π-helix	trans	-88.2	-24.8	-175.1	-58.4	-173.1	0	0	0	113.9	F240 Y256 V260 R263 V287	F240-L291 HydrophobicContact CB-CD2 3.89Å; F240-L291 HydrophobicContact CB-CG 4.2Å; F240-L291 HydrophobicContact CD1-CD1 3.96Å; F240-L291 HydrophobicContact CD1-CD2 4.17Å; F240-L291 HydrophobicContact CD1-CG 4.23Å; F240-L291 HydrophobicContact CE1-CD1 4.43Å; F240-L291 HydrophobicContact CG-CD2 4.4Å; F240-L291 HydrophobicContact CG-CG 4.4Å; F240-L291 WeakPolarHBondContact O-CD2 3.36Å; Y256-L291 WeakPolarHBondContact CE1-O 3.45Å; Y256-L291 PolarHBondContact OH-O 2.79Å; V260-L291 HydrophobicContact CB-CD1 4.47Å; V260-L291 HydrophobicContact CG1-CB 3.96Å; V260-L291 HydrophobicContact CG1-CD1 4.14Å; V260-L291 HydrophobicContact CG2-CB 3.89Å; V260-L291 HydrophobicContact CG2-CD1 4.12Å; R263-L291 HydrophobicContact CB-CD1 4.23Å; R263-L291 HydrophobicContact CG-CD1 4.48Å; V287-L291 HydrophobicContact CG1-CD1 3.67Å; V287-L291 HydrophobicContact CG1-CG 4.18Å; V287-L291 VanDerWaalsContact O-CB 3.31Å; V287-L291 WeakPolarHBondContact O-CB 3.33Å; V287-L291 PolarHBondContact O-N 3.44Å
292	I	94.9	Very high	94.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.207	C	C	.	.	I	π-helix	trans	-113.6	-64.1	-175.9	-46.3	168.8	0	0	0	110.5	V260 E288 K294 H295 M296 L325 V329	V260-I292 HydrophobicContact CG1-CD1 4.12Å; V260-I292 HydrophobicContact CG1-CG1 3.84Å; E288-I292 HydrophobicContact CB-CD1 4.31Å; E288-I292 HydrophobicContact CG-CD1 4.11Å; E288-I292 VanDerWaalsContact O-CB 3.28Å; E288-I292 WeakPolarHBondContact O-CB 3.34Å; E288-I292 PolarHBondContact O-N 2.85Å; I292-K294 PolarHBondContact O-N 3.05Å; I292-H295 CarbonylContact O-C 3.47Å; I292-H295 PolarHBondContact O-N 3.07Å; I292-M296 HydrophobicContact CG2-CG 4.43Å; I292-M296 VanDerWaalsContact O-CG 3.22Å; I292-M296 WeakPolarHBondContact O-CG 3.39Å; I292-M296 PolarHBondContact O-N 2.86Å; I292-L325 HydrophobicContact CD1-CD1 3.42Å; I292-L325 VanDerWaalsContact CD1-CD1 3.42Å; I292-L325 HydrophobicContact CD1-CD2 4.49Å; I292-L325 HydrophobicContact CD1-CG 3.78Å; I292-L325 HydrophobicContact CG1-CD1 3.99Å; I292-L325 HydrophobicContact CG1-CD2 4.26Å; I292-L325 HydrophobicContact CG1-CG 4.07Å; I292-L325 HydrophobicContact CG2-CG 4.33Å; I292-V329 HydrophobicContact CB-CG1 4.04Å; I292-V329 HydrophobicContact CD1-CG1 4.25Å; I292-V329 HydrophobicContact CG2-CG1 4.02Å; I292-V329 HydrophobicContact CG2-CG2 3.77Å
293	S	94.6	Very high	93.7	Very high	38 Å²	38	49.4 Å²	49.4	27%	0.266	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-60.4	-42.4	-167	-57.4	0	0	0	0	113.2	E288 R289 H295 M296 V329	E288-S293 PolarHBondContact O-N 3.1Å; E288-S293 PolarHBondContact O-OG 3.25Å; E288-S293 VanDerWaalsContact O-OG 3.12Å; R289-S293 WeakPolarHBondContact O-CB 3.47Å; R289-S293 PolarHBondContact O-N 3.15Å; S293-H295 VanDerWaalsContact C-N 3.26Å; S293-H295 PolarHBondContact O-N 2.68Å; S293-M296 VanDerWaalsContact O-CE 3.32Å; S293-M296 WeakPolarHBondContact O-CE 3.47Å; S293-V329 WeakPolarHBondContact OG-CG1 3.42Å
294	K	94	Very high	93.2	Very high	107 Å²	107	55.7 Å²	55.7	47%	0.465	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-69	-21.3	178.1	-73.8	-178.1	179.3	176.5	0	113.8	R289 E290 I292	R289-K294 PolarHBondContact O-N 3.16Å; R289-K294 VanDerWaalsContact O-N 3.1Å; E290-K294 WeakPolarHBondContact OE1-CE 3.02Å; E290-K294 IonicContact OE1-NZ 3.95Å; E290-K294 PolarHBondContact OE1-NZ 3.4Å; E290-K294 WeakPolarHBondContact OE2-CD 3.46Å; E290-K294 WeakPolarHBondContact OE2-CE 3.36Å; E290-K294 IonicContact OE2-NZ 3.77Å; E290-K294 PolarHBondContact OE2-NZ 3.34Å; I292-K294 PolarHBondContact O-N 3.05Å
295	H	93.1	Very high	92.9	Very high	29 Å²	29	55.5 Å²	55.5	13%	0.134	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-119.2	9	-171	-59.5	-60.7	0	0	0	114.1	S244 L248 E290 I292 S293 K297 T298 I299	S244-H295 PolarHBondContact OG-NE2 3.05Å; L248-H295 HydrophobicContact CD1-CB 3.88Å; E290-H295 PolarHBondContact O-CD2 3.09Å; E290-H295 PolarHBondContact O-NE2 3.42Å; I292-H295 CarbonylContact O-C 3.47Å; I292-H295 PolarHBondContact O-N 3.07Å; S293-H295 VanDerWaalsContact C-N 3.26Å; S293-H295 PolarHBondContact O-N 2.68Å; H295-K297 VanDerWaalsContact C-N 3.35Å; H295-K297 PolarHBondContact O-N 3.01Å; H295-T298 WeakPolarHBondContact O-CB 3.39Å; H295-T298 PolarHBondContact O-N 3.5Å; H295-T298 VanDerWaalsContact O-N 3.11Å; H295-I299 HydrophobicContact CB-CD1 3.99Å; H295-I299 HydrophobicContact CB-CG1 4.27Å; H295-I299 VanDerWaalsContact O-CG1 3.3Å; H295-I299 WeakPolarHBondContact O-CG1 3.24Å; H295-I299 PolarHBondContact O-N 2.64Å
296	M	92.7	Very high	92.6	Very high	29 Å²	29	50 Å²	50	14%	0.143	24%	0.242	C	C	.	.	H	α-helix	trans	-50.2	-50	-176	-69.6	-172.5	-75.1	0	0	113.2	I292 S293 I299 V300 F326 V329 G332 T335	I292-M296 HydrophobicContact CG2-CG 4.43Å; I292-M296 VanDerWaalsContact O-CG 3.22Å; I292-M296 WeakPolarHBondContact O-CG 3.39Å; I292-M296 PolarHBondContact O-N 2.86Å; S293-M296 VanDerWaalsContact O-CE 3.32Å; S293-M296 WeakPolarHBondContact O-CE 3.47Å; M296-I299 PolarHBondContact O-N 3.18Å; M296-V300 WeakPolarHBondContact O-CB 3.44Å; M296-V300 VanDerWaalsContact O-CG2 3.28Å; M296-V300 WeakPolarHBondContact O-CG2 3.42Å; M296-V300 PolarHBondContact O-N 3.42Å; M296-V300 VanDerWaalsContact O-N 3.09Å; M296-F326 HydrophobicContact CB-CE1 3.79Å; M296-F326 HydrophobicContact CB-CZ 4.33Å; M296-F326 HydrophobicContact CG-CD1 4.47Å; M296-F326 HydrophobicContact CG-CE1 3.96Å; M296-F326 HydrophobicContact CG-CZ 4.5Å; M296-V329 HydrophobicContact SD-CG2 3.77Å; M296-G332 VanDerWaalsContact SD-CA 3.6Å; M296-T335 HydrophobicContact CB-CG2 4.36Å
297	K	91.8	Very high	92.5	Very high	133 Å²	133	49.4 Å²	49.4	58%	0.578	24%	0.239	S	C	*	.	H	α-helix	trans	-63.8	-47.8	179	-69.6	-170.6	176.7	-172.5	0	111.6	H295 I299 V300 E301 T335	H295-K297 VanDerWaalsContact C-N 3.35Å; H295-K297 PolarHBondContact O-N 3.01Å; K297-I299 VanDerWaalsContact C-N 3.31Å; K297-I299 PolarHBondContact O-N 3.47Å; K297-V300 PolarHBondContact O-N 3.48Å; K297-E301 VanDerWaalsContact O-CB 3.27Å; K297-E301 WeakPolarHBondContact O-CB 3.47Å; K297-E301 WeakPolarHBondContact O-CG 3.25Å; K297-E301 PolarHBondContact O-N 3.07Å; K297-T335 HydrophobicContact CG-CG2 4.1Å
298	T	91.8	Very high	92.4	Very high	76 Å²	76	51.4 Å²	51.4	47%	0.466	25%	0.251	S	S	.	.	H	α-helix	trans	-57.7	-41.8	179	-49.5	0	0	0	0	112.3	H295 M302	H295-T298 WeakPolarHBondContact O-CB 3.39Å; H295-T298 PolarHBondContact O-N 3.5Å; H295-T298 VanDerWaalsContact O-N 3.11Å; T298-M302 WeakPolarHBondContact O-CA 3.21Å; T298-M302 WeakPolarHBondContact O-CB 3.35Å; T298-M302 PolarHBondContact O-N 3.13Å
299	I	91.9	Very high	92.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.4	-44	179.1	-63.9	160.8	0	0	0	110.9	L248 A253 Y256 H295 M296 K297 M322 F326	L248-I299 HydrophobicContact CD2-CG1 3.94Å; A253-I299 HydrophobicContact CB-CG2 4.43Å; Y256-I299 HydrophobicContact CD1-CD1 3.99Å; Y256-I299 HydrophobicContact CD1-CG1 4.12Å; Y256-I299 HydrophobicContact CE1-CD1 3.51Å; Y256-I299 HydrophobicContact CE1-CG1 4.01Å; H295-I299 HydrophobicContact CB-CD1 3.99Å; H295-I299 HydrophobicContact CB-CG1 4.27Å; H295-I299 VanDerWaalsContact O-CG1 3.3Å; H295-I299 WeakPolarHBondContact O-CG1 3.24Å; H295-I299 PolarHBondContact O-N 2.64Å; M296-I299 PolarHBondContact O-N 3.18Å; K297-I299 VanDerWaalsContact C-N 3.31Å; K297-I299 PolarHBondContact O-N 3.47Å; I299-M322 HydrophobicContact CG2-CE 4.26Å; I299-F326 HydrophobicContact CB-CZ 4.14Å; I299-F326 HydrophobicContact CG2-CE2 4.04Å; I299-F326 HydrophobicContact CG2-CZ 4.06Å
300	V	92.9	Very high	92.2	Very high	2 Å²	2	47 Å²	47	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-70.1	-40.7	-177.9	168.3	0	0	0	0	111.6	M296 K297 G306 L307 M322 F326 C339	M296-V300 WeakPolarHBondContact O-CB 3.44Å; M296-V300 VanDerWaalsContact O-CG2 3.28Å; M296-V300 WeakPolarHBondContact O-CG2 3.42Å; M296-V300 PolarHBondContact O-N 3.42Å; M296-V300 VanDerWaalsContact O-N 3.09Å; K297-V300 PolarHBondContact O-N 3.48Å; V300-G306 CarbonylContact O-C 3.46Å; V300-G306 WeakPolarHBondContact O-CA 3.48Å; V300-L307 HydrophobicContact CG1-CB 3.85Å; V300-L307 HydrophobicContact CG1-CD2 3.97Å; V300-L307 PolarHBondContact O-N 3.24Å; V300-M322 HydrophobicContact CG2-SD 4.44Å; V300-F326 HydrophobicContact CG2-CD1 4.37Å; V300-F326 HydrophobicContact CG2-CE1 3.44Å; V300-F326 VanDerWaalsContact CG2-CE1 3.44Å; V300-F326 HydrophobicContact CG2-CZ 3.55Å; V300-C339 HydrophobicContact CG1-CB 3.28Å; V300-C339 WeakPolarHBondContact CG1-SG 3.47Å
301	E	91.8	Very high	92.2	Very high	129 Å²	129	46.8 Å²	46.8	60%	0.603	23%	0.234	S	C	*	.	S	Bend	trans	-92.1	3.2	-175.9	-62.3	172.8	172.5	0	0	112.9	K297 E303	K297-E301 VanDerWaalsContact O-CB 3.27Å; K297-E301 WeakPolarHBondContact O-CB 3.47Å; K297-E301 WeakPolarHBondContact O-CG 3.25Å; K297-E301 PolarHBondContact O-N 3.07Å; E301-E303 PolarHBondContact O-N 3.48Å
302	M	90.6	Very high	92.1	Very high	33 Å²	33	52 Å²	52	16%	0.163	26%	0.256	C	S	.	.			trans	-55.1	127.5	-177.2	-167.5	173.4	-79	0	0	111.7	L248 A253 T298 N304 S305 G306	L248-M302 HydrophobicContact CD2-CE 3.67Å; A253-M302 HydrophobicContact CB-SD 3.98Å; A253-M302 PolarHBondContact N-SD 3.17Å; A253-M302 VanDerWaalsContact N-SD 3.43Å; T298-M302 WeakPolarHBondContact O-CA 3.21Å; T298-M302 WeakPolarHBondContact O-CB 3.35Å; T298-M302 PolarHBondContact O-N 3.13Å; M302-N304 PolarHBondContact O-N 3.44Å; M302-S305 WeakPolarHBondContact CG-OG 3.3Å; M302-S305 PolarHBondContact O-N 3.08Å; M302-S305 PolarHBondContact SD-OG 3.21Å; M302-G306 WeakPolarHBondContact O-CA 3.36Å; M302-G306 PolarHBondContact O-N 3.06Å
303	E	84.8	Confident	92	Very high	165 Å²	165	56.7 Å²	56.7	77%	0.771	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	137.7	179.3	-66.9	-173	177.3	0	0	111	E301 S305	E301-E303 PolarHBondContact O-N 3.48Å; E303-S305 PolarHBondContact O-N 2.88Å
304	N	84.9	Confident	91.9	Very high	132 Å²	132	55.8 Å²	55.8	71%	0.706	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	6.3	175.8	-55.8	-48.2	0	0	0	116.7	M302 H309	M302-N304 PolarHBondContact O-N 3.44Å; N304-H309 VanDerWaalsContact C-CG 3.41Å; N304-H309 PolarHBondContact O-CD2 3.38Å; N304-H309 VanDerWaalsContact O-CD2 3.25Å; N304-H309 PolarHBondContact O-CE1 3.02Å; N304-H309 VanDerWaalsContact O-CG 3.24Å; N304-H309 PolarHBondContact O-ND1 3.44Å; N304-H309 PolarHBondContact O-NE2 3.28Å
305	S	89.4	Confident	91.8	Very high	14 Å²	14	54.8 Å²	54.8	10%	0.098	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-148.1	-16.1	176.9	65.4	0	0	0	0	115.1	A253 M302 E303 M310	A253-S305 WeakPolarHBondContact CB-O 3.11Å; A253-S305 PolarHBondContact N-OG 3.4Å; A253-S305 VanDerWaalsContact N-OG 3.16Å; M302-S305 WeakPolarHBondContact CG-OG 3.3Å; M302-S305 PolarHBondContact O-N 3.08Å; M302-S305 PolarHBondContact SD-OG 3.21Å; E303-S305 PolarHBondContact O-N 2.88Å; S305-M310 WeakPolarHBondContact O-CE 3.38Å
306	G	91	Very high	91.9	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.01	28%	0.277	C	S	.	.	S	Bend	trans	-68.8	-172.2	177.6	0	0	0	0	0	114.2	V300 M302 V308 H309 M310	V300-G306 CarbonylContact O-C 3.46Å; V300-G306 WeakPolarHBondContact O-CA 3.48Å; M302-G306 WeakPolarHBondContact O-CA 3.36Å; M302-G306 PolarHBondContact O-N 3.06Å; G306-V308 VanDerWaalsContact C-N 3.33Å; G306-V308 PolarHBondContact O-N 3.36Å; G306-H309 WeakPolarHBondContact O-CB 3.32Å; G306-H309 PolarHBondContact O-N 3.28Å; G306-M310 WeakPolarHBondContact O-CG 3.38Å; G306-M310 PolarHBondContact O-N 3.4Å
307	L	94	Very high	91.9	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-54.5	-46.2	-171.1	-178.7	68	0	0	0	112.6	V300 H309 M310 L311 L319 M322 M336 C339 M340	V300-L307 HydrophobicContact CG1-CB 3.85Å; V300-L307 HydrophobicContact CG1-CD2 3.97Å; V300-L307 PolarHBondContact O-N 3.24Å; L307-H309 VanDerWaalsContact C-N 3.31Å; L307-H309 PolarHBondContact O-N 3.12Å; L307-M310 PolarHBondContact O-N 2.83Å; L307-L311 HydrophobicContact CD1-CD1 4.42Å; L307-L311 HydrophobicContact CD1-CG 4.47Å; L307-L311 HydrophobicContact CG-CD1 3.99Å; L307-L311 HydrophobicContact CG-CG 4.43Å; L307-L311 WeakPolarHBondContact O-CB 3.2Å; L307-L311 VanDerWaalsContact O-CG 3.3Å; L307-L311 WeakPolarHBondContact O-CG 3.49Å; L307-L311 PolarHBondContact O-N 3.04Å; L307-L319 HydrophobicContact CD1-CD2 3.44Å; L307-L319 VanDerWaalsContact CD1-CD2 3.44Å; L307-M322 HydrophobicContact CB-SD 4.09Å; L307-M322 HydrophobicContact CD1-SD 3.84Å; L307-M336 HydrophobicContact CD1-CE 3.67Å; L307-M336 HydrophobicContact CD1-CG 4.03Å; L307-M336 HydrophobicContact CD2-CG 3.79Å; L307-M336 WeakPolarHBondContact CD2-O 3.34Å; L307-C339 HydrophobicContact CD2-CB 3.84Å; L307-M340 HydrophobicContact CD2-CB 4.15Å
308	V	94	Very high	91.9	Very high	42 Å²	42	56 Å²	56	26%	0.255	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-41.4	-179.2	177	0	0	0	0	111.3	G306 L311 K312 Y343	G306-V308 VanDerWaalsContact C-N 3.33Å; G306-V308 PolarHBondContact O-N 3.36Å; V308-L311 PolarHBondContact O-N 3.04Å; V308-K312 HydrophobicContact CG1-CD 4.08Å; V308-K312 HydrophobicContact CG1-CG 4.41Å; V308-K312 WeakPolarHBondContact O-CB 3.46Å; V308-K312 WeakPolarHBondContact O-CG 3.46Å; V308-K312 PolarHBondContact O-N 2.98Å; V308-Y343 HydrophobicContact CG1-CD2 3.65Å; V308-Y343 HydrophobicContact CG1-CE2 3.99Å; V308-Y343 HydrophobicContact CG1-CG 4.12Å; V308-Y343 HydrophobicContact CG2-CG 4.45Å
309	H	93.6	Very high	92	Very high	50 Å²	50	52.4 Å²	52.4	23%	0.231	26%	0.262	C	S	.	.	H	α-helix	trans	-65.9	-42.7	177.3	175.1	-91.1	0	0	0	111.5	N304 G306 L307 L311 K312 N313	N304-H309 VanDerWaalsContact C-CG 3.41Å; N304-H309 PolarHBondContact O-CD2 3.38Å; N304-H309 VanDerWaalsContact O-CD2 3.25Å; N304-H309 PolarHBondContact O-CE1 3.02Å; N304-H309 VanDerWaalsContact O-CG 3.24Å; N304-H309 PolarHBondContact O-ND1 3.44Å; N304-H309 PolarHBondContact O-NE2 3.28Å; G306-H309 WeakPolarHBondContact O-CB 3.32Å; G306-H309 PolarHBondContact O-N 3.28Å; L307-H309 VanDerWaalsContact C-N 3.31Å; L307-H309 PolarHBondContact O-N 3.12Å; H309-L311 VanDerWaalsContact C-N 3.34Å; H309-L311 PolarHBondContact O-N 3.44Å; H309-K312 PolarHBondContact O-N 2.87Å; H309-N313 PolarHBondContact CD2-ND2 3.48Å; H309-N313 PolarHBondContact CE1-ND2 2.89Å; H309-N313 PolarHBondContact NE2-ND2 3.22Å; H309-N313 PolarHBondContact O-N 3.23Å; H309-N313 PolarHBondContact O-ND2 3.02Å
310	M	94.1	Very high	92.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-42.2	175.8	-62.6	-178.9	-175.5	0	0	111.7	A253 S254 I257 S305 G306 L307 G314 K315 D318 L319 M322	A253-M310 HydrophobicContact CB-CE 4.1Å; S254-M310 WeakPolarHBondContact OG-CE 3.48Å; I257-M310 HydrophobicContact CD1-CE 4.49Å; S305-M310 WeakPolarHBondContact O-CE 3.38Å; G306-M310 WeakPolarHBondContact O-CG 3.38Å; G306-M310 PolarHBondContact O-N 3.4Å; L307-M310 PolarHBondContact O-N 2.83Å; M310-G314 PolarHBondContact O-N 3.29Å; M310-K315 HydrophobicContact CB-CB 4.34Å; M310-K315 PolarHBondContact O-N 3.35Å; M310-D318 HydrophobicContact CE-CB 4.06Å; M310-D318 HydrophobicContact CG-CB 4.37Å; M310-D318 HydrophobicContact SD-CB 3.78Å; M310-L319 HydrophobicContact CB-CD2 3.64Å; M310-L319 HydrophobicContact CB-CG 3.85Å; M310-L319 HydrophobicContact SD-CD2 4.18Å; M310-L319 HydrophobicContact SD-CG 4.49Å; M310-M322 HydrophobicContact CE-CE 3.54Å; M310-M322 HydrophobicContact SD-CE 3.74Å; M310-M322 HydrophobicContact SD-SD 4.5Å
311	L	94.4	Very high	92.2	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.4	-47	175	-70.4	170.5	0	0	0	111.5	L307 V308 H309 N313 G314 L319 M340 Y343 R374 F378 F383	L307-L311 HydrophobicContact CD1-CD1 4.42Å; L307-L311 HydrophobicContact CD1-CG 4.47Å; L307-L311 HydrophobicContact CG-CD1 3.99Å; L307-L311 HydrophobicContact CG-CG 4.43Å; L307-L311 WeakPolarHBondContact O-CB 3.2Å; L307-L311 VanDerWaalsContact O-CG 3.3Å; L307-L311 WeakPolarHBondContact O-CG 3.49Å; L307-L311 PolarHBondContact O-N 3.04Å; V308-L311 PolarHBondContact O-N 3.04Å; H309-L311 VanDerWaalsContact C-N 3.34Å; H309-L311 PolarHBondContact O-N 3.44Å; L311-N313 VanDerWaalsContact C-N 3.33Å; L311-N313 PolarHBondContact O-N 3.25Å; L311-G314 PolarHBondContact O-N 3.34Å; L311-L319 HydrophobicContact CD2-CD1 3.93Å; L311-L319 HydrophobicContact CD2-CD2 4.25Å; L311-L319 HydrophobicContact CG-CD2 4.31Å; L311-M340 HydrophobicContact CD1-CB 4.4Å; L311-M340 HydrophobicContact CD1-CG 4.1Å; L311-Y343 HydrophobicContact CB-CD1 4.17Å; L311-Y343 HydrophobicContact CB-CE1 3.83Å; L311-Y343 HydrophobicContact CD1-CD1 3.77Å; L311-Y343 HydrophobicContact CD1-CE1 4.27Å; L311-R374 PolarHBondContact O-NH2 2.8Å; L311-F378 HydrophobicContact CB-CE2 4.41Å; L311-F378 HydrophobicContact CD2-CD2 3.46Å; L311-F378 VanDerWaalsContact CD2-CD2 3.46Å; L311-F378 HydrophobicContact CD2-CE2 3.6Å; L311-F378 HydrophobicContact CD2-CG 4.16Å; L311-F378 HydrophobicContact CD2-CZ 4.4Å; L311-F378 WeakPolarHBondContact O-CZ 3.45Å; L311-F383 HydrophobicContact CD2-CZ 4.39Å
312	K	93	Very high	92.3	Very high	111 Å²	111	48.8 Å²	48.8	48%	0.483	25%	0.252	S	S	.	.	H	α-helix	trans	-60.4	-37.1	179.1	-80.7	178.5	179.3	-179	0	113.4	V308 H309 Y343 R374	V308-K312 HydrophobicContact CG1-CD 4.08Å; V308-K312 HydrophobicContact CG1-CG 4.41Å; V308-K312 WeakPolarHBondContact O-CB 3.46Å; V308-K312 WeakPolarHBondContact O-CG 3.46Å; V308-K312 PolarHBondContact O-N 2.98Å; H309-K312 PolarHBondContact O-N 2.87Å; K312-Y343 HydrophobicContact CD-CE2 4.32Å; K312-Y343 VanDerWaalsContact CE-CE2 3.48Å; K312-Y343 HydrophobicContact CG-CE2 3.87Å; K312-Y343 WeakPolarHBondContact CG-OH 3.34Å; K312-R374 PolarHBondContact O-NH2 3.26Å
313	N	93.5	Very high	92.6	Very high	99 Å²	99	48.6 Å²	48.6	53%	0.529	25%	0.25	S	C	.	.	H	α-helix	trans	-98.1	0.3	-178.9	-65.5	-45.2	0	0	0	114	H309 L311 K315	H309-N313 PolarHBondContact CD2-ND2 3.48Å; H309-N313 PolarHBondContact CE1-ND2 2.89Å; H309-N313 PolarHBondContact NE2-ND2 3.22Å; H309-N313 PolarHBondContact O-N 3.23Å; H309-N313 PolarHBondContact O-ND2 3.02Å; L311-N313 VanDerWaalsContact C-N 3.33Å; L311-N313 PolarHBondContact O-N 3.25Å; N313-K315 HydrophobicContact CB-CG 4.25Å; N313-K315 PolarHBondContact O-N 2.98Å
314	G	92.6	Very high	93	Very high	19 Å²	19	46.9 Å²	46.9	20%	0.196	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	31.7	175.9	0	0	0	0	0	114.3	M310 L311 T316	M310-G314 PolarHBondContact O-N 3.29Å; L311-G314 PolarHBondContact O-N 3.34Å; G314-T316 PolarHBondContact O-N 3.44Å
315	K	92.9	Very high	93.5	Very high	87 Å²	87	41 Å²	41	38%	0.378	21%	0.208	S	C	.	.			trans	-77.9	79.2	-179.8	-62.7	-166.1	176.9	-169.8	0	111.6	M310 N313 E317 D318 L319	M310-K315 HydrophobicContact CB-CB 4.34Å; M310-K315 PolarHBondContact O-N 3.35Å; N313-K315 HydrophobicContact CB-CG 4.25Å; N313-K315 PolarHBondContact O-N 2.98Å; K315-E317 PolarHBondContact O-N 3.35Å; K315-D318 HydrophobicContact CB-CB 4.12Å; K315-D318 WeakPolarHBondContact CD-OD2 3.17Å; K315-D318 IonicContact NZ-OD2 3.99Å; K315-L319 VanDerWaalsContact O-CG 3.28Å; K315-L319 WeakPolarHBondContact O-CG 3.35Å; K315-L319 PolarHBondContact O-N 2.73Å; K315-L319 VanDerWaalsContact O-N 3.13Å
316	T	93.3	Very high	93.7	Very high	31 Å²	31	40.3 Å²	40.3	19%	0.19	20%	0.204	C	C	.	.	H	α-helix	trans	-69.4	-32.9	-171.7	48.2	0	0	0	0	114.8	G314 A320 F378 E381 S382	G314-T316 PolarHBondContact O-N 3.44Å; T316-A320 PolarHBondContact O-N 3.42Å; T316-F378 HydrophobicContact CG2-CD1 3.79Å; T316-F378 HydrophobicContact CG2-CE1 3.92Å; T316-E381 HydrophobicContact CG2-CB 4.5Å; T316-E381 WeakPolarHBondContact CG2-OE2 3.33Å; T316-S382 VanDerWaalsContact CA-OG 3.29Å; T316-S382 WeakPolarHBondContact CA-OG 3.41Å; T316-S382 WeakPolarHBondContact CB-OG 3.26Å; T316-S382 PolarHBondContact O-OG 2.81Å
317	E	92.7	Very high	93.9	Very high	159 Å²	159	43.1 Å²	43.1	74%	0.743	22%	0.223	S	C	*	.	H	α-helix	trans	-66.1	-48.2	175.5	-64.4	179.4	-179	0	0	111.7	K315 L319 A320 C321	K315-E317 PolarHBondContact O-N 3.35Å; E317-L319 VanDerWaalsContact C-N 3.29Å; E317-L319 PolarHBondContact O-N 2.97Å; E317-A320 WeakPolarHBondContact O-CB 3.47Å; E317-A320 PolarHBondContact O-N 2.64Å; E317-A320 VanDerWaalsContact O-N 3.09Å; E317-C321 PolarHBondContact O-N 3Å
318	D	92	Very high	93.9	Very high	26 Å²	26	48.3 Å²	48.3	14%	0.139	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-39.1	177.6	-73.4	-13.3	0	0	0	111.4	S254 M310 K315 C321 M322	S254-D318 PolarHBondContact OG-OD2 3.46Å; M310-D318 HydrophobicContact CE-CB 4.06Å; M310-D318 HydrophobicContact CG-CB 4.37Å; M310-D318 HydrophobicContact SD-CB 3.78Å; K315-D318 HydrophobicContact CB-CB 4.12Å; K315-D318 WeakPolarHBondContact CD-OD2 3.17Å; K315-D318 IonicContact NZ-OD2 3.99Å; D318-C321 PolarHBondContact O-N 3.32Å; D318-M322 PolarHBondContact O-N 3.42Å
319	L	94.6	Very high	93.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.9	-39.5	173.7	-73.4	170.8	0	0	0	112.3	L307 M310 L311 K315 E317 M322 Y323 F378 F383	L307-L319 HydrophobicContact CD1-CD2 3.44Å; L307-L319 VanDerWaalsContact CD1-CD2 3.44Å; M310-L319 HydrophobicContact CB-CD2 3.64Å; M310-L319 HydrophobicContact CB-CG 3.85Å; M310-L319 HydrophobicContact SD-CD2 4.18Å; M310-L319 HydrophobicContact SD-CG 4.49Å; L311-L319 HydrophobicContact CD2-CD1 3.93Å; L311-L319 HydrophobicContact CD2-CD2 4.25Å; L311-L319 HydrophobicContact CG-CD2 4.31Å; K315-L319 VanDerWaalsContact O-CG 3.28Å; K315-L319 WeakPolarHBondContact O-CG 3.35Å; K315-L319 PolarHBondContact O-N 2.73Å; K315-L319 VanDerWaalsContact O-N 3.13Å; E317-L319 VanDerWaalsContact C-N 3.29Å; E317-L319 PolarHBondContact O-N 2.97Å; L319-M322 PolarHBondContact O-N 2.86Å; L319-Y323 WeakPolarHBondContact O-CB 3.28Å; L319-Y323 PolarHBondContact O-N 3.47Å; L319-F378 HydrophobicContact CD1-CD1 4.07Å; L319-F378 HydrophobicContact CD1-CE1 4.27Å; L319-F378 HydrophobicContact CD1-CG 4.38Å; L319-F383 HydrophobicContact CB-CE1 4.14Å; L319-F383 HydrophobicContact CD2-CE1 4.32Å; L319-F383 HydrophobicContact CD2-CZ 4.38Å
320	A	94.9	Very high	93.8	Very high	21 Å²	21	49.1 Å²	49.1	17%	0.174	25%	0.253	C	S	.	.	H	α-helix	trans	-65.3	-41.7	174.9	0	0	0	0	0	111.9	T316 E317 Y323 K324 S382	T316-A320 PolarHBondContact O-N 3.42Å; E317-A320 WeakPolarHBondContact O-CB 3.47Å; E317-A320 PolarHBondContact O-N 2.64Å; E317-A320 VanDerWaalsContact O-N 3.09Å; A320-Y323 PolarHBondContact O-N 2.83Å; A320-K324 WeakPolarHBondContact O-CG 3.39Å; A320-K324 PolarHBondContact O-N 3.16Å; A320-S382 WeakPolarHBondContact CA-O 3.32Å
321	C	93.8	Very high	93.7	Very high	35 Å²	35	54.3 Å²	54.3	24%	0.236	28%	0.281	C	S	.	.	H	α-helix	trans	-61.5	-45.5	173.7	-70.9	0	0	0	0	111.4	I257 E317 D318 Y323 K324 L325	I257-C321 HydrophobicContact CG2-CB 3.97Å; E317-C321 PolarHBondContact O-N 3Å; D318-C321 PolarHBondContact O-N 3.32Å; C321-Y323 PolarHBondContact O-N 2.9Å; C321-K324 PolarHBondContact O-N 2.9Å; C321-L325 PolarHBondContact O-N 3.43Å
322	M	94.8	Very high	93.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-44.8	176.1	-172.2	177.2	-75.5	0	0	111.6	A253 I257 I299 V300 L307 M310 D318 L319 K324 L325 F326 M336	A253-M322 HydrophobicContact CB-CE 4.5Å; I257-M322 HydrophobicContact CD1-CB 3.8Å; I257-M322 HydrophobicContact CD1-CE 3.78Å; I257-M322 HydrophobicContact CD1-CG 4.06Å; I299-M322 HydrophobicContact CG2-CE 4.26Å; V300-M322 HydrophobicContact CG2-SD 4.44Å; L307-M322 HydrophobicContact CB-SD 4.09Å; L307-M322 HydrophobicContact CD1-SD 3.84Å; M310-M322 HydrophobicContact CE-CE 3.54Å; M310-M322 HydrophobicContact SD-CE 3.74Å; M310-M322 HydrophobicContact SD-SD 4.5Å; D318-M322 PolarHBondContact O-N 3.42Å; L319-M322 PolarHBondContact O-N 2.86Å; M322-K324 PolarHBondContact O-N 2.97Å; M322-L325 PolarHBondContact O-N 3.32Å; M322-F326 HydrophobicContact CG-CD2 3.92Å; M322-F326 HydrophobicContact CG-CE2 3.94Å; M322-F326 WeakPolarHBondContact O-CB 3.37Å; M322-F326 VanDerWaalsContact O-CD2 3.25Å; M322-F326 WeakPolarHBondContact O-CD2 3.22Å; M322-F326 PolarHBondContact O-N 3.47Å; M322-M336 HydrophobicContact CG-CE 4.44Å; M322-M336 HydrophobicContact CG-SD 4.25Å; M322-M336 HydrophobicContact SD-CE 4.5Å
323	Y	95.8	Very high	93.8	Very high	28 Å²	28	50.8 Å²	50.8	11%	0.11	27%	0.267	C	S	.	.	H	α-helix	trans	-58.9	-47.6	176.7	173.3	-96	0	0	0	112.2	L319 A320 C321 L325 F326 S327 L333 F383 N384 D386 F389	L319-Y323 WeakPolarHBondContact O-CB 3.28Å; L319-Y323 PolarHBondContact O-N 3.47Å; A320-Y323 PolarHBondContact O-N 2.83Å; C321-Y323 PolarHBondContact O-N 2.9Å; Y323-L325 VanDerWaalsContact C-N 3.31Å; Y323-L325 PolarHBondContact O-N 3.36Å; Y323-F326 PolarHBondContact O-N 3.3Å; Y323-S327 WeakPolarHBondContact O-CB 3.31Å; Y323-S327 PolarHBondContact O-N 2.96Å; Y323-L333 HydrophobicContact CD2-CD2 3.62Å; Y323-L333 HydrophobicContact CE2-CD1 4.15Å; Y323-L333 HydrophobicContact CE2-CD2 3.59Å; Y323-L333 HydrophobicContact CG-CD2 4.46Å; Y323-F383 HydrophobicContact CD2-CB 4.21Å; Y323-F383 HydrophobicContact CD2-CD1 4.22Å; Y323-F383 HydrophobicContact CE2-CB 4.39Å; Y323-F383 HydrophobicContact CG-CD1 4.43Å; Y323-N384 HydrophobicContact CE1-CB 3.9Å; Y323-D386 HydrophobicContact CE2-CB 4.08Å; Y323-F389 HydrophobicContact CD2-CE2 4.2Å; Y323-F389 HydrophobicContact CE2-CE2 4.13Å
324	K	94.4	Very high	93.9	Very high	130 Å²	130	51.3 Å²	51.3	57%	0.565	27%	0.265	S	S	*	.	H	α-helix	trans	-62.7	-35.4	177.6	-73.1	176.1	-177	179.4	0	113	A320 C321 M322 S327	A320-K324 WeakPolarHBondContact O-CG 3.39Å; A320-K324 PolarHBondContact O-N 3.16Å; C321-K324 PolarHBondContact O-N 2.9Å; M322-K324 PolarHBondContact O-N 2.97Å; K324-S327 PolarHBondContact O-OG 3.38Å
325	L	94	Very high	94	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.037	26%	0.262	C	S	.	.	H	α-helix	trans	-71.2	-45.4	177.6	-172.7	71.8	0	0	0	110.9	I257 V260 I292 C321 M322 Y323 S327 R328	I257-L325 HydrophobicContact CB-CD2 4.21Å; I257-L325 HydrophobicContact CG1-CD2 3.8Å; I257-L325 HydrophobicContact CG2-CB 4.29Å; I257-L325 HydrophobicContact CG2-CD2 4.04Å; V260-L325 HydrophobicContact CB-CD1 4.27Å; V260-L325 HydrophobicContact CG1-CD1 3.78Å; I292-L325 HydrophobicContact CD1-CD1 3.42Å; I292-L325 VanDerWaalsContact CD1-CD1 3.42Å; I292-L325 HydrophobicContact CD1-CD2 4.49Å; I292-L325 HydrophobicContact CD1-CG 3.78Å; I292-L325 HydrophobicContact CG1-CD1 3.99Å; I292-L325 HydrophobicContact CG1-CD2 4.26Å; I292-L325 HydrophobicContact CG1-CG 4.07Å; I292-L325 HydrophobicContact CG2-CG 4.33Å; C321-L325 PolarHBondContact O-N 3.43Å; M322-L325 PolarHBondContact O-N 3.32Å; Y323-L325 VanDerWaalsContact C-N 3.31Å; Y323-L325 PolarHBondContact O-N 3.36Å; L325-S327 VanDerWaalsContact C-N 3.31Å; L325-S327 PolarHBondContact O-N 3.47Å; L325-R328 WeakPolarHBondContact O-CB 3.46Å; L325-R328 PolarHBondContact O-N 3.32Å
326	F	94.9	Very high	94.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-75.7	-17.7	-176.7	-82	-118	0	0	0	113.2	M296 I299 V300 M322 Y323 R328 G332 L333 M336	M296-F326 HydrophobicContact CB-CE1 3.79Å; M296-F326 HydrophobicContact CB-CZ 4.33Å; M296-F326 HydrophobicContact CG-CD1 4.47Å; M296-F326 HydrophobicContact CG-CE1 3.96Å; M296-F326 HydrophobicContact CG-CZ 4.5Å; I299-F326 HydrophobicContact CB-CZ 4.14Å; I299-F326 HydrophobicContact CG2-CE2 4.04Å; I299-F326 HydrophobicContact CG2-CZ 4.06Å; V300-F326 HydrophobicContact CG2-CD1 4.37Å; V300-F326 HydrophobicContact CG2-CE1 3.44Å; V300-F326 VanDerWaalsContact CG2-CE1 3.44Å; V300-F326 HydrophobicContact CG2-CZ 3.55Å; M322-F326 HydrophobicContact CG-CD2 3.92Å; M322-F326 HydrophobicContact CG-CE2 3.94Å; M322-F326 WeakPolarHBondContact O-CB 3.37Å; M322-F326 VanDerWaalsContact O-CD2 3.25Å; M322-F326 WeakPolarHBondContact O-CD2 3.22Å; M322-F326 PolarHBondContact O-N 3.47Å; Y323-F326 PolarHBondContact O-N 3.3Å; F326-R328 PolarHBondContact O-N 2.91Å; F326-G332 WeakPolarHBondContact CD1-O 3.46Å; F326-G332 WeakPolarHBondContact O-CA 3.21Å; F326-L333 HydrophobicContact CB-CD2 4.3Å; F326-M336 HydrophobicContact CD1-CB 4.44Å
327	S	95.4	Very high	94.2	Very high	61 Å²	61	46 Å²	46	43%	0.427	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-18.1	172.5	67.4	0	0	0	0	113.5	Y323 K324 L325	Y323-S327 WeakPolarHBondContact O-CB 3.31Å; Y323-S327 PolarHBondContact O-N 2.96Å; K324-S327 PolarHBondContact O-OG 3.38Å; L325-S327 VanDerWaalsContact C-N 3.31Å; L325-S327 PolarHBondContact O-N 3.47Å
328	R	93.5	Very high	94.4	Very high	109 Å²	109	43.5 Å²	43.5	41%	0.411	22%	0.224	S	C	.	.	S	Bend	trans	-72.8	-29	177.6	-67	175.4	169.5	-91	1.8	113.3	E288 L325 F326	E288-R328 WeakPolarHBondContact OE1-CB 3.19Å; E288-R328 IonicContact OE1-NH1 3.93Å; E288-R328 PolarHBondContact OE1-NH1 3.2Å; L325-R328 WeakPolarHBondContact O-CB 3.46Å; L325-R328 PolarHBondContact O-N 3.32Å; F326-R328 PolarHBondContact O-N 2.91Å
329	V	93.9	Very high	94.6	Very high	9 Å²	9	43.1 Å²	43.1	6%	0.055	22%	0.224	C	C	.	.	S	Bend	trans	-109	143.9	-173.3	-63.6	0	0	0	0	112.5	E288 I292 S293 M296 N331 G332	E288-V329 HydrophobicContact CB-CG1 4Å; I292-V329 HydrophobicContact CB-CG1 4.04Å; I292-V329 HydrophobicContact CD1-CG1 4.25Å; I292-V329 HydrophobicContact CG2-CG1 4.02Å; I292-V329 HydrophobicContact CG2-CG2 3.77Å; S293-V329 WeakPolarHBondContact OG-CG1 3.42Å; M296-V329 HydrophobicContact SD-CG2 3.77Å; V329-N331 PolarHBondContact O-N 2.99Å; V329-G332 PolarHBondContact O-N 2.84Å
330	P	91.1	Very high	94.7	Very high	100 Å²	100	43.1 Å²	43.1	65%	0.649	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	141	174.3	27.6	-34.3	0	0	0	110.2	G332	P330-G332 PolarHBondContact O-N 3.47Å; P330-G332 VanDerWaalsContact O-N 3.13Å
331	N	92.4	Very high	94.8	Very high	109 Å²	109	42.8 Å²	42.8	58%	0.583	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	2.7	-175.7	-53.9	-57.2	0	0	0	116.2	V329 K334 T335	V329-N331 PolarHBondContact O-N 2.99Å; N331-K334 PolarHBondContact O-N 3.49Å; N331-T335 PolarHBondContact O-N 3.26Å; N331-T335 PolarHBondContact O-OG1 3.03Å
332	G	94.3	Very high	94.9	Very high	1 Å²	1	45 Å²	45	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-59.1	176.5	0	0	0	0	0	111.8	M296 F326 V329 P330 K334 T335 M336	M296-G332 VanDerWaalsContact SD-CA 3.6Å; F326-G332 WeakPolarHBondContact CD1-O 3.46Å; F326-G332 WeakPolarHBondContact O-CA 3.21Å; V329-G332 PolarHBondContact O-N 2.84Å; P330-G332 PolarHBondContact O-N 3.47Å; P330-G332 VanDerWaalsContact O-N 3.13Å; G332-K334 PolarHBondContact O-N 3.45Å; G332-T335 PolarHBondContact O-N 3.43Å; G332-T335 VanDerWaalsContact O-N 3.08Å; G332-M336 PolarHBondContact O-N 3.14Å
333	L	95.3	Very high	94.9	Very high	35 Å²	35	45.2 Å²	45.2	18%	0.183	24%	0.237	C	C	.	.	H	α-helix	trans	-56.6	-35.3	178	-62.3	-175	0	0	0	112.8	Y323 F326 C337 F389	Y323-L333 HydrophobicContact CD2-CD2 3.62Å; Y323-L333 HydrophobicContact CE2-CD1 4.15Å; Y323-L333 HydrophobicContact CE2-CD2 3.59Å; Y323-L333 HydrophobicContact CG-CD2 4.46Å; F326-L333 HydrophobicContact CB-CD2 4.3Å; L333-C337 WeakPolarHBondContact O-CB 3.19Å; L333-C337 PolarHBondContact O-N 3.36Å; L333-F389 HydrophobicContact CB-CE2 4.3Å; L333-F389 HydrophobicContact CD2-CE2 4.34Å
334	K	95.2	Very high	95	Very high	110 Å²	110	43.9 Å²	43.9	48%	0.478	23%	0.232	S	C	.	.	H	α-helix	trans	-63.7	-47.9	176.1	-176.6	179	172.4	-176.2	0	111.8	N331 G332 M336 C337 E338	N331-K334 PolarHBondContact O-N 3.49Å; G332-K334 PolarHBondContact O-N 3.45Å; K334-M336 VanDerWaalsContact C-N 3.33Å; K334-M336 PolarHBondContact O-N 2.99Å; K334-C337 WeakPolarHBondContact O-CB 3.26Å; K334-C337 PolarHBondContact O-N 2.96Å; K334-C337 VanDerWaalsContact O-N 3.16Å; K334-E338 WeakPolarHBondContact CE-OE1 3.34Å; K334-E338 WeakPolarHBondContact O-CG 3.35Å; K334-E338 PolarHBondContact O-N 3.37Å
335	T	95.2	Very high	95.1	Very high	21 Å²	21	42.1 Å²	42.1	13%	0.129	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-44.7	178.5	-54.3	0	0	0	0	111.3	M296 K297 N331 G332 C337 E338 C339	M296-T335 HydrophobicContact CB-CG2 4.36Å; K297-T335 HydrophobicContact CG-CG2 4.1Å; N331-T335 PolarHBondContact O-N 3.26Å; N331-T335 PolarHBondContact O-OG1 3.03Å; G332-T335 PolarHBondContact O-N 3.43Å; G332-T335 VanDerWaalsContact O-N 3.08Å; T335-C337 VanDerWaalsContact C-N 3.34Å; T335-C337 PolarHBondContact O-N 2.82Å; T335-E338 PolarHBondContact O-N 3.33Å; T335-C339 PolarHBondContact O-N 2.97Å
336	M	95.4	Very high	95.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.8	-41.5	175.9	-174.5	-179.7	169.9	0	0	111.6	L307 M322 F326 G332 K334 C339 M340 F383 F389	L307-M336 HydrophobicContact CD1-CE 3.67Å; L307-M336 HydrophobicContact CD1-CG 4.03Å; L307-M336 HydrophobicContact CD2-CG 3.79Å; L307-M336 WeakPolarHBondContact CD2-O 3.34Å; M322-M336 HydrophobicContact CG-CE 4.44Å; M322-M336 HydrophobicContact CG-SD 4.25Å; M322-M336 HydrophobicContact SD-CE 4.5Å; F326-M336 HydrophobicContact CD1-CB 4.44Å; G332-M336 PolarHBondContact O-N 3.14Å; K334-M336 VanDerWaalsContact C-N 3.33Å; K334-M336 PolarHBondContact O-N 2.99Å; M336-C339 PolarHBondContact O-N 3.41Å; M336-M340 WeakPolarHBondContact O-CB 3.18Å; M336-M340 PolarHBondContact O-N 3.27Å; M336-F383 HydrophobicContact CE-CD1 3.78Å; M336-F383 HydrophobicContact CE-CE1 3.18Å; M336-F383 HydrophobicContact CE-CZ 3.91Å; M336-F389 HydrophobicContact CB-CZ 4.19Å; M336-F389 HydrophobicContact CE-CE1 4.35Å; M336-F389 HydrophobicContact CE-CZ 4.31Å; M336-F389 HydrophobicContact CG-CE1 4.21Å; M336-F389 HydrophobicContact CG-CZ 3.96Å; M336-F389 HydrophobicContact SD-CE1 4.44Å; M336-F389 HydrophobicContact SD-CZ 3.92Å
337	C	95.8	Very high	95.1	Very high	4 Å²	4	50.8 Å²	50.8	3%	0.027	26%	0.262	C	S	.	.	H	α-helix	trans	-65.8	-40.6	178.5	-157.5	0	0	0	0	112.5	L333 K334 T335 M340 S341 L388 F389 T392	L333-C337 WeakPolarHBondContact O-CB 3.19Å; L333-C337 PolarHBondContact O-N 3.36Å; K334-C337 WeakPolarHBondContact O-CB 3.26Å; K334-C337 PolarHBondContact O-N 2.96Å; K334-C337 VanDerWaalsContact O-N 3.16Å; T335-C337 VanDerWaalsContact C-N 3.34Å; T335-C337 PolarHBondContact O-N 2.82Å; C337-M340 PolarHBondContact O-N 3.49Å; C337-S341 VanDerWaalsContact O-CB 3.31Å; C337-S341 WeakPolarHBondContact O-CB 3.3Å; C337-S341 PolarHBondContact O-N 2.92Å; C337-L388 HydrophobicContact CB-CD2 4.22Å; C337-L388 HydrophobicContact CB-CG 4.38Å; C337-F389 HydrophobicContact CB-CE1 4.28Å; C337-F389 HydrophobicContact CB-CZ 4.23Å; C337-T392 WeakPolarHBondContact SG-CB 3.49Å; C337-T392 PolarHBondContact SG-OG1 3.34Å
338	E	95.6	Very high	95	Very high	107 Å²	107	47.9 Å²	47.9	50%	0.5	24%	0.241	S	C	.	.	H	α-helix	trans	-61.7	-45.2	176	-74.2	171.6	179.4	0	0	111.8	K334 T335 S341 S342	K334-E338 WeakPolarHBondContact CE-OE1 3.34Å; K334-E338 WeakPolarHBondContact O-CG 3.35Å; K334-E338 PolarHBondContact O-N 3.37Å; T335-E338 PolarHBondContact O-N 3.33Å; E338-S341 PolarHBondContact O-N 3.01Å; E338-S342 PolarHBondContact O-N 2.92Å
339	C	95.8	Very high	94.9	Very high	18 Å²	18	46.7 Å²	46.7	12%	0.122	24%	0.239	C	C	.	.	H	α-helix	trans	-65.2	-42.6	175.8	-179.2	0	0	0	0	112.2	V300 L307 T335 M336 S341 S342 Y343	V300-C339 HydrophobicContact CG1-CB 3.28Å; V300-C339 WeakPolarHBondContact CG1-SG 3.47Å; L307-C339 HydrophobicContact CD2-CB 3.84Å; T335-C339 PolarHBondContact O-N 2.97Å; M336-C339 PolarHBondContact O-N 3.41Å; C339-S341 VanDerWaalsContact C-N 3.31Å; C339-S341 PolarHBondContact O-N 2.88Å; C339-S342 PolarHBondContact O-N 3.33Å; C339-Y343 PolarHBondContact O-N 2.95Å; C339-Y343 VanDerWaalsContact O-N 3.14Å
340	M	96.7	Very high	94.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-44.4	174.4	-180	-165.2	66.7	0	0	110.9	L307 L311 M336 C337 Y343 L344 F375 F383 F389 T392 I393	L307-M340 HydrophobicContact CD2-CB 4.15Å; L311-M340 HydrophobicContact CD1-CB 4.4Å; L311-M340 HydrophobicContact CD1-CG 4.1Å; M336-M340 WeakPolarHBondContact O-CB 3.18Å; M336-M340 PolarHBondContact O-N 3.27Å; C337-M340 PolarHBondContact O-N 3.49Å; M340-Y343 PolarHBondContact O-N 3.09Å; M340-L344 WeakPolarHBondContact O-CB 3.47Å; M340-L344 PolarHBondContact O-N 3.01Å; M340-F375 HydrophobicContact CG-CD1 4.44Å; M340-F375 HydrophobicContact CG-CE1 3.75Å; M340-F375 HydrophobicContact SD-CD1 4.21Å; M340-F375 HydrophobicContact SD-CE1 4.11Å; M340-F383 HydrophobicContact SD-CE2 3.8Å; M340-F389 HydrophobicContact CE-CD1 3.66Å; M340-F389 HydrophobicContact CE-CE1 4.33Å; M340-F389 HydrophobicContact CE-CG 4.49Å; M340-F389 HydrophobicContact SD-CD1 3.67Å; M340-F389 HydrophobicContact SD-CE1 4.15Å; M340-T392 HydrophobicContact CE-CG2 4.25Å; M340-I393 HydrophobicContact CE-CD1 4.28Å; M340-I393 HydrophobicContact CE-CG1 3.75Å; M340-I393 HydrophobicContact SD-CD1 4.32Å; M340-I393 HydrophobicContact SD-CG1 4.24Å
341	S	96.9	Very high	94.7	Very high	15 Å²	15	47.5 Å²	47.5	11%	0.105	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-45.3	180	-177.3	0	0	0	0	111.7	C337 E338 C339 Y343 L344 R345 D396	C337-S341 VanDerWaalsContact O-CB 3.31Å; C337-S341 WeakPolarHBondContact O-CB 3.3Å; C337-S341 PolarHBondContact O-N 2.92Å; E338-S341 PolarHBondContact O-N 3.01Å; C339-S341 VanDerWaalsContact C-N 3.31Å; C339-S341 PolarHBondContact O-N 2.88Å; S341-Y343 VanDerWaalsContact C-N 3.35Å; S341-Y343 PolarHBondContact O-N 3.23Å; S341-L344 PolarHBondContact O-N 3.49Å; S341-R345 WeakPolarHBondContact O-CB 3.4Å; S341-R345 VanDerWaalsContact O-CG 3.28Å; S341-R345 WeakPolarHBondContact O-CG 3.39Å; S341-R345 PolarHBondContact O-N 3.39Å; S341-D396 WeakPolarHBondContact CA-OD2 3.22Å; S341-D396 WeakPolarHBondContact CB-OD2 3.5Å; S341-D396 PolarHBondContact OG-OD1 2.89Å; S341-D396 PolarHBondContact OG-OD2 3.42Å
342	S	96.3	Very high	94.5	Very high	80 Å²	80	42.5 Å²	42.5	56%	0.559	22%	0.22	S	C	*	.	H	α-helix	trans	-56.2	-49.4	175.5	-171.3	0	0	0	0	111.5	E338 C339 R345 E346	E338-S342 PolarHBondContact O-N 2.92Å; C339-S342 PolarHBondContact O-N 3.33Å; S342-R345 PolarHBondContact O-N 2.68Å; S342-E346 PolarHBondContact O-N 3.45Å
343	Y	95.8	Very high	93.9	Very high	6 Å²	6	44.9 Å²	44.9	2%	0.024	24%	0.237	C	C	.	.	H	α-helix	trans	-64.6	-44.5	178	172.1	-110.7	0	0	0	112.9	V308 L311 K312 C339 M340 S341 R345 E346 Q347 F375	V308-Y343 HydrophobicContact CG1-CD2 3.65Å; V308-Y343 HydrophobicContact CG1-CE2 3.99Å; V308-Y343 HydrophobicContact CG1-CG 4.12Å; V308-Y343 HydrophobicContact CG2-CG 4.45Å; L311-Y343 HydrophobicContact CB-CD1 4.17Å; L311-Y343 HydrophobicContact CB-CE1 3.83Å; L311-Y343 HydrophobicContact CD1-CD1 3.77Å; L311-Y343 HydrophobicContact CD1-CE1 4.27Å; K312-Y343 HydrophobicContact CD-CE2 4.32Å; K312-Y343 VanDerWaalsContact CE-CE2 3.48Å; K312-Y343 HydrophobicContact CG-CE2 3.87Å; K312-Y343 WeakPolarHBondContact CG-OH 3.34Å; C339-Y343 PolarHBondContact O-N 2.95Å; C339-Y343 VanDerWaalsContact O-N 3.14Å; M340-Y343 PolarHBondContact O-N 3.09Å; S341-Y343 VanDerWaalsContact C-N 3.35Å; S341-Y343 PolarHBondContact O-N 3.23Å; Y343-R345 VanDerWaalsContact C-N 3.33Å; Y343-R345 PolarHBondContact O-N 2.66Å; Y343-E346 PolarHBondContact O-N 2.96Å; Y343-Q347 HydrophobicContact CD2-CG 4.05Å; Y343-Q347 HydrophobicContact CE1-CG 4.12Å; Y343-Q347 HydrophobicContact CE2-CG 3.52Å; Y343-Q347 WeakPolarHBondContact O-CG 3.28Å; Y343-Q347 PolarHBondContact O-N 3.49Å; Y343-F375 AromaticContact CD1-CZ 3.99Å; Y343-F375 HydrophobicContact CD1-CZ 3.99Å; Y343-F375 HydrophobicContact CE1-CZ 4.01Å
344	L	97	Very high	92.3	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-40.7	178.4	175.4	57	0	0	0	111.4	M340 S341 Q347 G348 L371 F375 I393 D396 F397 F400	M340-L344 WeakPolarHBondContact O-CB 3.47Å; M340-L344 PolarHBondContact O-N 3.01Å; S341-L344 PolarHBondContact O-N 3.49Å; L344-Q347 PolarHBondContact O-N 2.96Å; L344-G348 PolarHBondContact O-N 3.09Å; L344-L371 HydrophobicContact CD1-CD1 4.35Å; L344-L371 HydrophobicContact CD1-CD2 4Å; L344-L371 HydrophobicContact CD1-CG 4.16Å; L344-F375 HydrophobicContact CB-CE1 3.91Å; L344-F375 HydrophobicContact CB-CZ 3.83Å; L344-F375 HydrophobicContact CD1-CD1 4.32Å; L344-F375 HydrophobicContact CD1-CD2 3.83Å; L344-F375 HydrophobicContact CD1-CE1 4.1Å; L344-F375 HydrophobicContact CD1-CE2 3.61Å; L344-F375 HydrophobicContact CD1-CG 4.18Å; L344-F375 HydrophobicContact CD1-CZ 3.74Å; L344-F375 HydrophobicContact CD2-CD1 4.08Å; L344-F375 HydrophobicContact CD2-CE1 4.11Å; L344-F375 HydrophobicContact CD2-CG 4.48Å; L344-F375 HydrophobicContact CG-CE1 4.25Å; L344-F375 HydrophobicContact CG-CZ 4.22Å; L344-I393 HydrophobicContact CD2-CB 4.35Å; L344-I393 HydrophobicContact CD2-CG1 4.21Å; L344-I393 HydrophobicContact CD2-CG2 4.21Å; L344-D396 HydrophobicContact CD2-CB 3.76Å; L344-D396 HydrophobicContact CG-CB 4.09Å; L344-F397 HydrophobicContact CD1-CE2 3.97Å; L344-F397 HydrophobicContact CD1-CZ 4.5Å; L344-F397 HydrophobicContact CD2-CD2 4.34Å; L344-F397 HydrophobicContact CD2-CE2 4.23Å; L344-F400 HydrophobicContact CD1-CE1 4.21Å; L344-F400 HydrophobicContact CG-CE1 4.19Å
345	R	95.8	Very high	90.1	Very high	92 Å²	92	52.5 Å²	52.5	35%	0.347	27%	0.273	S	S	.	.	H	α-helix	trans	-64.7	-39.8	175.3	-74.4	179.8	-176.4	-150.5	-3.7	112.3	S341 S342 Y343 K349 D396 Y399	S341-R345 WeakPolarHBondContact O-CB 3.4Å; S341-R345 VanDerWaalsContact O-CG 3.28Å; S341-R345 WeakPolarHBondContact O-CG 3.39Å; S341-R345 PolarHBondContact O-N 3.39Å; S342-R345 PolarHBondContact O-N 2.68Å; Y343-R345 VanDerWaalsContact C-N 3.33Å; Y343-R345 PolarHBondContact O-N 2.66Å; R345-K349 VanDerWaalsContact O-CB 3.26Å; R345-K349 WeakPolarHBondContact O-CB 3.2Å; R345-K349 WeakPolarHBondContact O-CG 3.19Å; R345-K349 PolarHBondContact O-N 3.32Å; R345-D396 HydrophobicContact CG-CB 4.19Å; R345-D396 IonicContact CZ-OD1 3.83Å; R345-D396 VanDerWaalsContact CZ-OD1 3.27Å; R345-D396 IonicContact NE-OD1 3.97Å; R345-D396 PolarHBondContact NE-OD1 3.42Å; R345-D396 IonicContact NH2-OD1 3.76Å; R345-D396 PolarHBondContact NH2-OD1 3Å; R345-Y399 HydrophobicContact CG-CD1 4.13Å; R345-Y399 HydrophobicContact CG-CE1 4.46Å
346	E	94.7	Very high	87.9	Confident	123 Å²	123	53.8 Å²	53.8	58%	0.575	29%	0.29	S	S	*	.	H	α-helix	trans	-62.7	-49.6	176.3	-171.4	-177.1	177.1	0	0	111.2	S342 Y343 G348 K349 A350	S342-E346 PolarHBondContact O-N 3.45Å; Y343-E346 PolarHBondContact O-N 2.96Å; E346-G348 PolarHBondContact O-N 3.13Å; E346-K349 PolarHBondContact O-N 3.38Å; E346-A350 PolarHBondContact O-N 3.01Å
347	Q	94.6	Very high	85.4	Confident	66 Å²	66	63.7 Å²	63.7	31%	0.308	34%	0.337	S	S	.	.	H	α-helix	trans	-62.2	-43.6	176.6	-67.1	-65.6	106.1	0	0	112	Y343 L344 A350 L351 L371	Y343-Q347 HydrophobicContact CD2-CG 4.05Å; Y343-Q347 HydrophobicContact CE1-CG 4.12Å; Y343-Q347 HydrophobicContact CE2-CG 3.52Å; Y343-Q347 WeakPolarHBondContact O-CG 3.28Å; Y343-Q347 PolarHBondContact O-N 3.49Å; L344-Q347 PolarHBondContact O-N 2.96Å; Q347-A350 PolarHBondContact O-N 3.11Å; Q347-L351 WeakPolarHBondContact O-CG 2.85Å; Q347-L351 PolarHBondContact O-N 2.86Å; Q347-L371 HydrophobicContact CB-CD1 4.44Å; Q347-L371 HydrophobicContact CB-CD2 4.42Å
348	G	93.4	Very high	83.5	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-61.4	-46.4	176.4	0	0	0	0	0	111.8	L344 E346 A350 L351 V352	L344-G348 PolarHBondContact O-N 3.09Å; E346-G348 PolarHBondContact O-N 3.13Å; G348-A350 PolarHBondContact O-N 3.5Å; G348-L351 PolarHBondContact O-N 2.9Å; G348-V352 WeakPolarHBondContact O-CG1 3.45Å; G348-V352 WeakPolarHBondContact O-CG2 3.47Å; G348-V352 PolarHBondContact O-N 3.24Å
349	K	92.4	Very high	82.1	Confident	84 Å²	84	65.3 Å²	65.3	37%	0.365	36%	0.361	S	S	.	.	H	α-helix	trans	-56.6	-48.4	174.2	-79.4	177.6	-173.3	-174.4	0	111.7	R345 E346 L351 V352 S353 Y399 L403	R345-K349 VanDerWaalsContact O-CB 3.26Å; R345-K349 WeakPolarHBondContact O-CB 3.2Å; R345-K349 WeakPolarHBondContact O-CG 3.19Å; R345-K349 PolarHBondContact O-N 3.32Å; E346-K349 PolarHBondContact O-N 3.38Å; K349-L351 PolarHBondContact O-N 3.28Å; K349-V352 WeakPolarHBondContact O-CG2 3.43Å; K349-V352 PolarHBondContact O-N 3.42Å; K349-V352 VanDerWaalsContact O-N 3.11Å; K349-S353 WeakPolarHBondContact O-CB 3.44Å; K349-S353 PolarHBondContact O-N 3.19Å; K349-S353 PolarHBondContact O-OG 2.99Å; K349-Y399 PolarHBondContact NZ-OH 2.96Å; K349-L403 HydrophobicContact CD-CD1 4.47Å; K349-L403 HydrophobicContact CG-CD1 3.81Å
350	A	90.9	Very high	81.4	Confident	67 Å²	67	67.7 Å²	67.7	55%	0.554	37%	0.373	S	S	*	.	H	α-helix	trans	-58	-37.2	179.2	0	0	0	0	0	112.8	E346 Q347 G348 K359	E346-A350 PolarHBondContact O-N 3.01Å; Q347-A350 PolarHBondContact O-N 3.11Å; G348-A350 PolarHBondContact O-N 3.5Å; A350-K359 PolarHBondContact O-NZ 2.79Å
351	L	89.2	Confident	80.9	Confident	59 Å²	59	68.9 Å²	68.9	31%	0.309	38%	0.38	S	S	.	.	H	α-helix	trans	-68.6	-45.8	174.8	-69.2	172.9	0	0	0	111.9	Q347 G348 K349 K359 L368 L371	Q347-L351 WeakPolarHBondContact O-CG 2.85Å; Q347-L351 PolarHBondContact O-N 2.86Å; G348-L351 PolarHBondContact O-N 2.9Å; K349-L351 PolarHBondContact O-N 3.28Å; L351-K359 PolarHBondContact O-NZ 2.84Å; L351-L368 HydrophobicContact CB-CD2 4.37Å; L351-L368 HydrophobicContact CD1-CD2 4.19Å; L351-L371 HydrophobicContact CD1-CB 4.18Å; L351-L371 HydrophobicContact CD1-CD2 3.72Å
352	V	87.8	Confident	80.3	Confident	4 Å²	4	69.6 Å²	69.6	2%	0.024	38%	0.384	C	S	.	.	H	α-helix	trans	-83.6	-20.2	-172.9	-54.7	0	0	0	0	115	G348 K349 Y364 L368 F400 L403 N404	G348-V352 WeakPolarHBondContact O-CG1 3.45Å; G348-V352 WeakPolarHBondContact O-CG2 3.47Å; G348-V352 PolarHBondContact O-N 3.24Å; K349-V352 WeakPolarHBondContact O-CG2 3.43Å; K349-V352 PolarHBondContact O-N 3.42Å; K349-V352 VanDerWaalsContact O-N 3.11Å; V352-Y364 HydrophobicContact CB-CE2 4.29Å; V352-Y364 HydrophobicContact CG1-CE2 4.37Å; V352-Y364 WeakPolarHBondContact CG1-OH 3.25Å; V352-L368 HydrophobicContact CG1-CD2 4.12Å; V352-F400 HydrophobicContact CG1-CD2 4.06Å; V352-F400 HydrophobicContact CG2-CB 4.33Å; V352-F400 WeakPolarHBondContact CG2-O 3.36Å; V352-L403 HydrophobicContact CG2-CB 4.36Å; V352-N404 HydrophobicContact CB-CB 4.24Å; V352-N404 PolarHBondContact O-ND2 2.79Å
353	S	81.6	Confident	79.8	Confident	52 Å²	52	70.7 Å²	70.7	36%	0.364	38%	0.384	S	S	.	.			trans	-58.9	140.6	-178.8	-74.3	0	0	0	0	112.3	K349 E355 K359	K349-S353 WeakPolarHBondContact O-CB 3.44Å; K349-S353 PolarHBondContact O-N 3.19Å; K349-S353 PolarHBondContact O-OG 2.99Å; S353-E355 PolarHBondContact O-N 3.33Å; S353-K359 PolarHBondContact O-NZ 2.81Å
354	E	62.7	Low	79.6	Confident	121 Å²	121	71 Å²	71	57%	0.565	39%	0.385	S	S	*	.			trans	-79.7	13.5	-177.3	-63.8	-166.7	153.6	0	0	114.2	G356 R406	E354-G356 VanDerWaalsContact C-N 3.3Å; E354-G356 PolarHBondContact O-N 3.48Å; E354-R406 IonicContact OE1-NE 2.79Å
355	E	49.1	Very low	79.4	Confident	184 Å²	184	71.1 Å²	71.1	86%	0.86	39%	0.385	S	S	*	.			trans	-73.5	86.2	178.1	-68.3	-173.3	169.8	0	0	110.3	S353	S353-E355 PolarHBondContact O-N 3.33Å
356	G	48	Very low	79.2	Confident	47 Å²	47	69.9 Å²	69.9	49%	0.485	38%	0.383	S	S	.	.	S	Bend	trans	147.5	119.7	172.1	0	0	0	0	0	111.9	E354 G358	E354-G356 VanDerWaalsContact C-N 3.3Å; E354-G356 PolarHBondContact O-N 3.48Å; G356-G358 PolarHBondContact O-N 3.45Å; G356-G358 VanDerWaalsContact O-N 3.07Å
357	E	43.6	Very low	79.1	Confident	209 Å²	209	64.9 Å²	64.9	98%	0.977	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	115.7	167.4	-72.6	-173.2	152.2	0	0	109.8
358	G	56.7	Low	79.1	Confident	69 Å²	69	61.8 Å²	61.8	71%	0.711	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	45.9	165.2	0	0	0	0	0	117.1	G356 N360	G356-G358 PolarHBondContact O-N 3.45Å; G356-G358 VanDerWaalsContact O-N 3.07Å; G358-N360 PolarHBondContact O-N 2.86Å
359	K	65.9	Low	79.2	Confident	76 Å²	76	62.1 Å²	62.1	33%	0.33	35%	0.353	S	S	.	.			trans	-55	124.7	161.3	-77.2	-174.9	176.8	171.6	0	109.5	A350 L351 S353 P361	A350-K359 PolarHBondContact O-NZ 2.79Å; L351-K359 PolarHBondContact O-NZ 2.84Å; S353-K359 PolarHBondContact O-NZ 2.81Å; K359-P361 WeakPolarHBondContact O-CD 3.36Å
360	N	81.4	Confident	79.3	Confident	68 Å²	68	62.3 Å²	62.3	36%	0.364	36%	0.358	S	S	.	.			trans	-61.1	124.3	175.6	177.6	-3.9	0	0	0	109.1	G358 V362 D363 Y364	G358-N360 PolarHBondContact O-N 2.86Å; N360-V362 PolarHBondContact O-N 3.25Å; N360-V362 VanDerWaalsContact O-N 3.1Å; N360-V362 WeakPolarHBondContact OD1-CB 3.46Å; N360-V362 PolarHBondContact OD1-N 3.01Å; N360-D363 HydrophobicContact CB-CB 4.19Å; N360-D363 WeakPolarHBondContact CB-OD2 3.5Å; N360-D363 PolarHBondContact ND2-OD2 3.11Å; N360-D363 PolarHBondContact O-N 2.83Å; N360-D363 VanDerWaalsContact O-N 3.15Å; N360-Y364 PolarHBondContact O-N 3.07Å
361	P	84.3	Confident	79.5	Confident	24 Å²	24	59.8 Å²	59.8	16%	0.156	34%	0.335	C	S	.	.	H	α-helix	trans	-53.4	-32	178.2	-27.8	34.8	0	0	0	113.4	K359 I365 Y410 L413	K359-P361 WeakPolarHBondContact O-CD 3.36Å; P361-I365 WeakPolarHBondContact O-CG1 3.39Å; P361-I365 PolarHBondContact O-N 2.94Å; P361-Y410 HydrophobicContact CB-CD1 3.78Å; P361-Y410 HydrophobicContact CB-CE1 4.44Å; P361-Y410 HydrophobicContact CB-CG 4.04Å; P361-Y410 HydrophobicContact CG-CD1 3.72Å; P361-Y410 HydrophobicContact CG-CE1 3.93Å; P361-Y410 HydrophobicContact CG-CG 4.41Å; P361-L413 HydrophobicContact CB-CB 3.95Å; P361-L413 HydrophobicContact CB-CD1 4.1Å; P361-L413 HydrophobicContact CG-CB 4.41Å; P361-L413 HydrophobicContact CG-CD1 3.71Å
362	V	84.9	Confident	79.8	Confident	30 Å²	30	58.2 Å²	58.2	18%	0.182	33%	0.325	C	S	.	.	H	α-helix	trans	-69.8	-48.4	-179.9	179.7	0	0	0	0	111.3	N360 Y364 I365 Q366 F414 D417	N360-V362 PolarHBondContact O-N 3.25Å; N360-V362 VanDerWaalsContact O-N 3.1Å; N360-V362 WeakPolarHBondContact OD1-CB 3.46Å; N360-V362 PolarHBondContact OD1-N 3.01Å; V362-Y364 VanDerWaalsContact C-N 3.31Å; V362-Y364 PolarHBondContact O-N 3.24Å; V362-I365 PolarHBondContact O-N 3.42Å; V362-Q366 VanDerWaalsContact O-CB 3.29Å; V362-Q366 WeakPolarHBondContact O-CB 3.42Å; V362-Q366 PolarHBondContact O-N 3.22Å; V362-F414 HydrophobicContact CB-CD2 4.44Å; V362-F414 HydrophobicContact CG1-CD2 4.06Å; V362-F414 HydrophobicContact CG1-CE2 4.21Å; V362-D417 HydrophobicContact CG2-CB 4.27Å
363	D	86.6	Confident	80.2	Confident	104 Å²	104	60.4 Å²	60.4	56%	0.556	34%	0.341	S	S	*	.	H	α-helix	trans	-67.8	-35.1	-179.1	-58.7	-33.6	0	0	0	111.2	N360 G367	N360-D363 HydrophobicContact CB-CB 4.19Å; N360-D363 WeakPolarHBondContact CB-OD2 3.5Å; N360-D363 PolarHBondContact ND2-OD2 3.11Å; N360-D363 PolarHBondContact O-N 2.83Å; N360-D363 VanDerWaalsContact O-N 3.15Å; D363-G367 PolarHBondContact O-N 3.03Å
364	Y	90.6	Very high	80.8	Confident	13 Å²	13	61.7 Å²	61.7	5%	0.051	34%	0.337	C	S	.	.	H	α-helix	trans	-58	-54.3	173.7	178.3	-84.9	0	0	0	112	V352 N360 V362 G367 L368 S407 Y410	V352-Y364 HydrophobicContact CB-CE2 4.29Å; V352-Y364 HydrophobicContact CG1-CE2 4.37Å; V352-Y364 WeakPolarHBondContact CG1-OH 3.25Å; N360-Y364 PolarHBondContact O-N 3.07Å; V362-Y364 VanDerWaalsContact C-N 3.31Å; V362-Y364 PolarHBondContact O-N 3.24Å; Y364-G367 PolarHBondContact O-N 2.85Å; Y364-L368 HydrophobicContact CD1-CD1 3.91Å; Y364-L368 HydrophobicContact CE1-CD1 3.44Å; Y364-L368 VanDerWaalsContact CE1-CD1 3.44Å; Y364-L368 WeakPolarHBondContact O-CG 3.49Å; Y364-L368 PolarHBondContact O-N 2.82Å; Y364-S407 PolarHBondContact OH-OG 3.1Å; Y364-Y410 AromaticContact CD1-CD2 3.78Å; Y364-Y410 HydrophobicContact CD1-CD2 3.78Å; Y364-Y410 HydrophobicContact CD1-CG 4.46Å; Y364-Y410 HydrophobicContact CD2-CD2 4.02Å; Y364-Y410 HydrophobicContact CD2-CE2 4.25Å; Y364-Y410 HydrophobicContact CE1-CD2 4.05Å; Y364-Y410 HydrophobicContact CE2-CD2 4.22Å; Y364-Y410 HydrophobicContact CE2-CE2 4.46Å; Y364-Y410 AromaticContact CG-CD2 3.78Å; Y364-Y410 HydrophobicContact CG-CD2 3.78Å; Y364-Y410 HydrophobicContact CG-CE2 4.39Å
365	I	92.8	Very high	82.4	Confident	1 Å²	1	56 Å²	56	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-69.3	-39.2	-178.6	-63.7	-65.2	0	0	0	110.3	P361 V362 G367 L368 L369 L411 F414 L441	P361-I365 WeakPolarHBondContact O-CG1 3.39Å; P361-I365 PolarHBondContact O-N 2.94Å; V362-I365 PolarHBondContact O-N 3.42Å; I365-G367 PolarHBondContact O-N 3.18Å; I365-L368 HydrophobicContact CD1-CD1 4.44Å; I365-L368 WeakPolarHBondContact O-CB 3.45Å; I365-L368 PolarHBondContact O-N 3.11Å; I365-L369 HydrophobicContact CG2-CD1 4.1Å; I365-L369 HydrophobicContact CG2-CG 4.25Å; I365-L369 WeakPolarHBondContact O-CG 3.5Å; I365-L369 PolarHBondContact O-N 3.09Å; I365-L411 HydrophobicContact CD1-CB 3.95Å; I365-L411 HydrophobicContact CD1-CD1 4.03Å; I365-L411 HydrophobicContact CG1-CD1 4.5Å; I365-L411 HydrophobicContact CG2-CD1 4.03Å; I365-F414 HydrophobicContact CB-CB 4Å; I365-F414 HydrophobicContact CB-CD1 4.44Å; I365-F414 HydrophobicContact CB-CD2 3.84Å; I365-F414 HydrophobicContact CB-CE2 4.4Å; I365-F414 HydrophobicContact CB-CG 3.85Å; I365-F414 HydrophobicContact CG1-CB 3.91Å; I365-F414 HydrophobicContact CG1-CG 4.32Å; I365-F414 HydrophobicContact CG2-CB 4.09Å; I365-F414 HydrophobicContact CG2-CD1 3.69Å; I365-F414 HydrophobicContact CG2-CD2 3.87Å; I365-F414 HydrophobicContact CG2-CE1 4.01Å; I365-F414 HydrophobicContact CG2-CE2 4.17Å; I365-F414 HydrophobicContact CG2-CG 3.61Å; I365-F414 HydrophobicContact CG2-CZ 4.23Å; I365-L441 HydrophobicContact CG2-CD1 4.11Å
366	Q	91.8	Very high	84.6	Confident	66 Å²	66	49.7 Å²	49.7	31%	0.308	28%	0.283	S	S	.	.	H	α-helix	trans	-60.3	-45	177.3	-169.8	60.2	52.3	0	0	111.8	V362 L368 L369 D370	V362-Q366 VanDerWaalsContact O-CB 3.29Å; V362-Q366 WeakPolarHBondContact O-CB 3.42Å; V362-Q366 PolarHBondContact O-N 3.22Å; Q366-L368 VanDerWaalsContact C-N 3.28Å; Q366-L368 PolarHBondContact O-N 3.38Å; Q366-L369 WeakPolarHBondContact O-CB 3.47Å; Q366-L369 PolarHBondContact O-N 3.46Å; Q366-L369 VanDerWaalsContact O-N 3.12Å; Q366-D370 PolarHBondContact NE2-OD1 2.88Å; Q366-D370 PolarHBondContact O-N 2.75Å
367	G	93.1	Very high	86.9	Confident	19 Å²	19	51.9 Å²	51.9	20%	0.196	28%	0.277	C	S	.	.	H	α-helix	trans	-59.9	-36.5	176.2	0	0	0	0	0	113.4	D363 Y364 I365 L371	D363-G367 PolarHBondContact O-N 3.03Å; Y364-G367 PolarHBondContact O-N 2.85Å; I365-G367 PolarHBondContact O-N 3.18Å; G367-L371 WeakPolarHBondContact O-CB 3.4Å; G367-L371 PolarHBondContact O-N 2.8Å
368	L	94.6	Very high	89.4	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-69	-40	174.2	-69.5	171.3	0	0	0	112.5	L351 V352 Y364 I365 Q366 K372 F400 L401 L441	L351-L368 HydrophobicContact CB-CD2 4.37Å; L351-L368 HydrophobicContact CD1-CD2 4.19Å; V352-L368 HydrophobicContact CG1-CD2 4.12Å; Y364-L368 HydrophobicContact CD1-CD1 3.91Å; Y364-L368 HydrophobicContact CE1-CD1 3.44Å; Y364-L368 VanDerWaalsContact CE1-CD1 3.44Å; Y364-L368 WeakPolarHBondContact O-CG 3.49Å; Y364-L368 PolarHBondContact O-N 2.82Å; I365-L368 HydrophobicContact CD1-CD1 4.44Å; I365-L368 WeakPolarHBondContact O-CB 3.45Å; I365-L368 PolarHBondContact O-N 3.11Å; Q366-L368 VanDerWaalsContact C-N 3.28Å; Q366-L368 PolarHBondContact O-N 3.38Å; L368-K372 WeakPolarHBondContact O-CB 3.37Å; L368-K372 PolarHBondContact O-N 3.44Å; L368-F400 HydrophobicContact CD2-CD2 4.27Å; L368-F400 HydrophobicContact CD2-CE2 3.74Å; L368-L401 HydrophobicContact CD1-CD1 3.75Å; L368-L441 HydrophobicContact CB-CD1 3.95Å; L368-L441 HydrophobicContact CB-CD2 4.43Å
369	L	94.5	Very high	91.3	Very high	8 Å²	8	39 Å²	39	4%	0.042	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-40.5	175.4	-67.5	177.3	0	0	0	111.8	I365 Q366 K372 S373 F414 K437 L441	I365-L369 HydrophobicContact CG2-CD1 4.1Å; I365-L369 HydrophobicContact CG2-CG 4.25Å; I365-L369 WeakPolarHBondContact O-CG 3.5Å; I365-L369 PolarHBondContact O-N 3.09Å; Q366-L369 WeakPolarHBondContact O-CB 3.47Å; Q366-L369 PolarHBondContact O-N 3.46Å; Q366-L369 VanDerWaalsContact O-N 3.12Å; L369-K372 PolarHBondContact O-N 3.18Å; L369-S373 WeakPolarHBondContact O-CB 3.43Å; L369-S373 PolarHBondContact O-N 3.37Å; L369-S373 PolarHBondContact O-OG 2.68Å; L369-F414 HydrophobicContact CD1-CE1 4.03Å; L369-F414 HydrophobicContact CD1-CZ 3.78Å; L369-K437 HydrophobicContact CD2-CB 3.91Å; L369-K437 WeakPolarHBondContact CD2-O 3.18Å; L369-L441 HydrophobicContact CD2-CD1 3.44Å; L369-L441 VanDerWaalsContact CD2-CD1 3.44Å; L369-L441 HydrophobicContact CD2-CG 3.75Å; L369-L441 HydrophobicContact CG-CD1 3.84Å
370	D	94.6	Very high	92.7	Very high	88 Å²	88	41 Å²	41	47%	0.471	21%	0.212	S	C	.	.	H	α-helix	trans	-68.2	-43.2	178.3	-64.7	-18.1	0	0	0	111	Q366 K372 S373 R374	Q366-D370 PolarHBondContact NE2-OD1 2.88Å; Q366-D370 PolarHBondContact O-N 2.75Å; D370-K372 VanDerWaalsContact C-N 3.31Å; D370-K372 PolarHBondContact O-N 3.2Å; D370-S373 PolarHBondContact O-N 3.5Å; D370-R374 WeakPolarHBondContact O-CB 3.3Å; D370-R374 PolarHBondContact O-N 2.89Å
371	L	95.8	Very high	93.3	Very high	14 Å²	14	43 Å²	43	7%	0.073	22%	0.219	C	C	.	.	H	α-helix	trans	-59.5	-43.4	173.2	-175.4	63.2	0	0	0	111.1	L344 Q347 L351 G367 R374 F375 F397 F400	L344-L371 HydrophobicContact CD1-CD1 4.35Å; L344-L371 HydrophobicContact CD1-CD2 4Å; L344-L371 HydrophobicContact CD1-CG 4.16Å; Q347-L371 HydrophobicContact CB-CD1 4.44Å; Q347-L371 HydrophobicContact CB-CD2 4.42Å; L351-L371 HydrophobicContact CD1-CB 4.18Å; L351-L371 HydrophobicContact CD1-CD2 3.72Å; G367-L371 WeakPolarHBondContact O-CB 3.4Å; G367-L371 PolarHBondContact O-N 2.8Å; L371-R374 PolarHBondContact O-N 3.17Å; L371-F375 HydrophobicContact CD1-CD2 3.87Å; L371-F375 HydrophobicContact CD1-CE2 3.67Å; L371-F375 HydrophobicContact CG-CD2 4.37Å; L371-F375 WeakPolarHBondContact O-CD2 3.45Å; L371-F375 PolarHBondContact O-N 3.48Å; L371-F375 VanDerWaalsContact O-N 3.12Å; L371-F397 HydrophobicContact CB-CZ 4.33Å; L371-F397 HydrophobicContact CD2-CZ 4.29Å; L371-F397 HydrophobicContact CG-CZ 4.03Å; L371-F400 HydrophobicContact CD2-CZ 4.35Å
372	K	95.8	Very high	93.8	Very high	26 Å²	26	42 Å²	42	11%	0.113	21%	0.213	C	C	.	.	H	α-helix	trans	-63.2	-46.7	178.1	-176.6	58.9	168.3	67.1	0	111.6	L368 L369 D370 R374 F375 D376 F397 F444	L368-K372 WeakPolarHBondContact O-CB 3.37Å; L368-K372 PolarHBondContact O-N 3.44Å; L369-K372 PolarHBondContact O-N 3.18Å; D370-K372 VanDerWaalsContact C-N 3.31Å; D370-K372 PolarHBondContact O-N 3.2Å; K372-R374 VanDerWaalsContact C-N 3.27Å; K372-R374 PolarHBondContact O-N 3.09Å; K372-F375 PolarHBondContact O-N 2.98Å; K372-D376 IonicContact NZ-OD1 3.87Å; K372-D376 PolarHBondContact NZ-OD1 2.75Å; K372-D376 IonicContact NZ-OD2 3.7Å; K372-D376 PolarHBondContact NZ-OD2 3.15Å; K372-D376 WeakPolarHBondContact O-CB 3.4Å; K372-D376 VanDerWaalsContact O-CG 3.29Å; K372-D376 PolarHBondContact O-N 3.24Å; K372-F397 HydrophobicContact CB-CE1 3.68Å; K372-F397 HydrophobicContact CB-CE2 4.39Å; K372-F397 HydrophobicContact CB-CZ 3.58Å; K372-F397 HydrophobicContact CD-CD1 4.29Å; K372-F397 HydrophobicContact CD-CD2 3.98Å; K372-F397 HydrophobicContact CD-CE1 4.02Å; K372-F397 HydrophobicContact CD-CE2 3.68Å; K372-F397 HydrophobicContact CD-CG 4.29Å; K372-F397 HydrophobicContact CD-CZ 3.73Å; K372-F397 HydrophobicContact CG-CE1 4.34Å; K372-F397 HydrophobicContact CG-CZ 4.25Å; K372-F444 HydrophobicContact CD-CE2 4.48Å
373	S	95.2	Very high	94.3	Very high	49 Å²	49	40.6 Å²	40.6	34%	0.343	20%	0.204	S	C	.	.	H	α-helix	trans	-59.9	-40	178.6	-57.1	0	0	0	0	111.5	L369 D370 R377	L369-S373 WeakPolarHBondContact O-CB 3.43Å; L369-S373 PolarHBondContact O-N 3.37Å; L369-S373 PolarHBondContact O-OG 2.68Å; D370-S373 PolarHBondContact O-N 3.5Å; S373-R377 WeakPolarHBondContact O-CB 3.29Å; S373-R377 PolarHBondContact O-N 3.43Å
374	R	95.5	Very high	94.7	Very high	79 Å²	79	41.9 Å²	41.9	30%	0.298	21%	0.211	S	C	.	.	H	α-helix	trans	-63.4	-46	177.1	-176.2	-177.7	-178	159.6	9.8	112.6	L311 K312 D370 L371 K372 R377 F378	L311-R374 PolarHBondContact O-NH2 2.8Å; K312-R374 PolarHBondContact O-NH2 3.26Å; D370-R374 WeakPolarHBondContact O-CB 3.3Å; D370-R374 PolarHBondContact O-N 2.89Å; L371-R374 PolarHBondContact O-N 3.17Å; K372-R374 VanDerWaalsContact C-N 3.27Å; K372-R374 PolarHBondContact O-N 3.09Å; R374-R377 WeakPolarHBondContact O-CB 3.41Å; R374-R377 PolarHBondContact O-N 2.89Å; R374-F378 HydrophobicContact CG-CD2 4.4Å; R374-F378 HydrophobicContact CG-CE2 3.69Å; R374-F378 HydrophobicContact CG-CZ 3.8Å; R374-F378 WeakPolarHBondContact O-CD2 3.43Å; R374-F378 WeakPolarHBondContact O-CG 3.41Å; R374-F378 PolarHBondContact O-N 3.07Å; R374-F378 VanDerWaalsContact O-N 3.14Å
375	F	96.5	Very high	94.9	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-74	-31.4	179.2	-87.1	-98.1	0	0	0	113	M340 Y343 L344 L371 K372 R377 F378 L379 I393	M340-F375 HydrophobicContact CG-CD1 4.44Å; M340-F375 HydrophobicContact CG-CE1 3.75Å; M340-F375 HydrophobicContact SD-CD1 4.21Å; M340-F375 HydrophobicContact SD-CE1 4.11Å; Y343-F375 AromaticContact CD1-CZ 3.99Å; Y343-F375 HydrophobicContact CD1-CZ 3.99Å; Y343-F375 HydrophobicContact CE1-CZ 4.01Å; L344-F375 HydrophobicContact CB-CE1 3.91Å; L344-F375 HydrophobicContact CB-CZ 3.83Å; L344-F375 HydrophobicContact CD1-CD1 4.32Å; L344-F375 HydrophobicContact CD1-CD2 3.83Å; L344-F375 HydrophobicContact CD1-CE1 4.1Å; L344-F375 HydrophobicContact CD1-CE2 3.61Å; L344-F375 HydrophobicContact CD1-CG 4.18Å; L344-F375 HydrophobicContact CD1-CZ 3.74Å; L344-F375 HydrophobicContact CD2-CD1 4.08Å; L344-F375 HydrophobicContact CD2-CE1 4.11Å; L344-F375 HydrophobicContact CD2-CG 4.48Å; L344-F375 HydrophobicContact CG-CE1 4.25Å; L344-F375 HydrophobicContact CG-CZ 4.22Å; L371-F375 HydrophobicContact CD1-CD2 3.87Å; L371-F375 HydrophobicContact CD1-CE2 3.67Å; L371-F375 HydrophobicContact CG-CD2 4.37Å; L371-F375 WeakPolarHBondContact O-CD2 3.45Å; L371-F375 PolarHBondContact O-N 3.48Å; L371-F375 VanDerWaalsContact O-N 3.12Å; K372-F375 PolarHBondContact O-N 2.98Å; F375-R377 VanDerWaalsContact C-N 3.3Å; F375-F378 HydrophobicContact CD1-CD2 4.44Å; F375-F378 HydrophobicContact CG-CD2 4.43Å; F375-F378 PolarHBondContact O-N 2.88Å; F375-L379 WeakPolarHBondContact O-CB 3.35Å; F375-L379 PolarHBondContact O-N 3.44Å; F375-I393 HydrophobicContact CB-CD1 4.33Å; F375-I393 HydrophobicContact CB-CG2 4.29Å; F375-I393 HydrophobicContact CD1-CD1 4.31Å; F375-I393 HydrophobicContact CD1-CG1 4.25Å
376	D	94.6	Very high	95.1	Very high	53 Å²	53	46.9 Å²	46.9	28%	0.283	24%	0.239	S	C	.	.	H	α-helix	trans	-63.2	-39.1	170.3	-73.9	-20.2	0	0	0	111.4	K372 L379 L380	K372-D376 IonicContact NZ-OD1 3.87Å; K372-D376 PolarHBondContact NZ-OD1 2.75Å; K372-D376 IonicContact NZ-OD2 3.7Å; K372-D376 PolarHBondContact NZ-OD2 3.15Å; K372-D376 WeakPolarHBondContact O-CB 3.4Å; K372-D376 VanDerWaalsContact O-CG 3.29Å; K372-D376 PolarHBondContact O-N 3.24Å; D376-L379 WeakPolarHBondContact O-CB 3.08Å; D376-L379 PolarHBondContact O-N 3Å; D376-L380 WeakPolarHBondContact O-CG 3.4Å; D376-L380 PolarHBondContact O-N 3.29Å
377	R	95.8	Very high	95.2	Very high	93 Å²	93	52.7 Å²	52.7	35%	0.351	26%	0.258	S	S	.	.	H	α-helix	trans	-62.4	-45.9	174.2	-171.4	172.4	65.2	88.5	-5	111.8	S373 R374 F375 L379 L380 E381	S373-R377 WeakPolarHBondContact O-CB 3.29Å; S373-R377 PolarHBondContact O-N 3.43Å; R374-R377 WeakPolarHBondContact O-CB 3.41Å; R374-R377 PolarHBondContact O-N 2.89Å; F375-R377 VanDerWaalsContact C-N 3.3Å; R377-L379 VanDerWaalsContact C-N 3.32Å; R377-L379 PolarHBondContact O-N 3.26Å; R377-L380 PolarHBondContact O-N 3.45Å; R377-E381 WeakPolarHBondContact CD-OE1 3.28Å; R377-E381 HydrophobicContact CG-CG 4.08Å; R377-E381 WeakPolarHBondContact CG-OE1 3.32Å; R377-E381 WeakPolarHBondContact CG-OE2 3.26Å; R377-E381 IonicContact CZ-OE2 3.89Å; R377-E381 IonicContact NH1-OE2 3.95Å; R377-E381 PolarHBondContact NH1-OE2 3.42Å; R377-E381 WeakPolarHBondContact O-CB 3.43Å; R377-E381 PolarHBondContact O-N 3.47Å
378	F	96.5	Very high	95.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-40.2	175.1	-61.4	-31.2	0	0	0	112.6	L311 T316 L319 R374 F375 L380 S382 F383	L311-F378 HydrophobicContact CB-CE2 4.41Å; L311-F378 HydrophobicContact CD2-CD2 3.46Å; L311-F378 VanDerWaalsContact CD2-CD2 3.46Å; L311-F378 HydrophobicContact CD2-CE2 3.6Å; L311-F378 HydrophobicContact CD2-CG 4.16Å; L311-F378 HydrophobicContact CD2-CZ 4.4Å; L311-F378 WeakPolarHBondContact O-CZ 3.45Å; T316-F378 HydrophobicContact CG2-CD1 3.79Å; T316-F378 HydrophobicContact CG2-CE1 3.92Å; L319-F378 HydrophobicContact CD1-CD1 4.07Å; L319-F378 HydrophobicContact CD1-CE1 4.27Å; L319-F378 HydrophobicContact CD1-CG 4.38Å; R374-F378 HydrophobicContact CG-CD2 4.4Å; R374-F378 HydrophobicContact CG-CE2 3.69Å; R374-F378 HydrophobicContact CG-CZ 3.8Å; R374-F378 WeakPolarHBondContact O-CD2 3.43Å; R374-F378 WeakPolarHBondContact O-CG 3.41Å; R374-F378 PolarHBondContact O-N 3.07Å; R374-F378 VanDerWaalsContact O-N 3.14Å; F375-F378 HydrophobicContact CD1-CD2 4.44Å; F375-F378 HydrophobicContact CG-CD2 4.43Å; F375-F378 PolarHBondContact O-N 2.88Å; F378-L380 VanDerWaalsContact C-N 3.34Å; F378-L380 PolarHBondContact O-N 2.99Å; F378-S382 WeakPolarHBondContact O-CA 3.45Å; F378-S382 VanDerWaalsContact O-CB 3.3Å; F378-S382 WeakPolarHBondContact O-CB 3.41Å; F378-S382 PolarHBondContact O-N 2.88Å; F378-F383 HydrophobicContact CB-CD2 4.5Å; F378-F383 HydrophobicContact CB-CE2 3.97Å; F378-F383 HydrophobicContact CB-CZ 4.37Å; F378-F383 PolarHBondContact O-N 3.21Å; F378-F383 VanDerWaalsContact O-N 3.09Å
379	L	95.8	Very high	95.5	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.042	27%	0.266	C	S	.	.	H	α-helix	trans	-60.7	-43.2	176.8	179.4	63.4	0	0	0	111.9	F375 D376 R377 F383 N384 N385 F389 K390 I393	F375-L379 WeakPolarHBondContact O-CB 3.35Å; F375-L379 PolarHBondContact O-N 3.44Å; D376-L379 WeakPolarHBondContact O-CB 3.08Å; D376-L379 PolarHBondContact O-N 3Å; R377-L379 VanDerWaalsContact C-N 3.32Å; R377-L379 PolarHBondContact O-N 3.26Å; L379-F383 HydrophobicContact CD1-CB 4.35Å; L379-F383 CarbonylContact O-C 3.32Å; L379-N384 PolarHBondContact O-N 3.42Å; L379-N385 WeakPolarHBondContact O-CA 3.5Å; L379-N385 PolarHBondContact O-N 2.96Å; L379-F389 HydrophobicContact CD1-CB 3.8Å; L379-K390 HydrophobicContact CD1-CB 4.29Å; L379-K390 HydrophobicContact CD2-CB 3.82Å; L379-K390 HydrophobicContact CD2-CD 4.37Å; L379-K390 HydrophobicContact CD2-CG 3.93Å; L379-I393 HydrophobicContact CB-CD1 4.32Å
380	L	95.4	Very high	95.6	Very high	118 Å²	118	60.3 Å²	60.3	62%	0.618	29%	0.288	S	S	*	.	H	α-helix	trans	-76.3	-49.5	-179.1	-69.5	172.5	0	0	0	112.8	D376 R377 F378	D376-L380 WeakPolarHBondContact O-CG 3.4Å; D376-L380 PolarHBondContact O-N 3.29Å; R377-L380 PolarHBondContact O-N 3.45Å; F378-L380 VanDerWaalsContact C-N 3.34Å; F378-L380 PolarHBondContact O-N 2.99Å
381	E	94.8	Very high	95.7	Very high	108 Å²	108	61.2 Å²	61.2	51%	0.505	29%	0.29	S	S	.	.	H	α-helix	trans	-81.9	-33.4	-172.1	-66.5	176	-175	0	0	112.9	T316 R377	T316-E381 HydrophobicContact CG2-CB 4.5Å; T316-E381 WeakPolarHBondContact CG2-OE2 3.33Å; R377-E381 WeakPolarHBondContact CD-OE1 3.28Å; R377-E381 HydrophobicContact CG-CG 4.08Å; R377-E381 WeakPolarHBondContact CG-OE1 3.32Å; R377-E381 WeakPolarHBondContact CG-OE2 3.26Å; R377-E381 IonicContact CZ-OE2 3.89Å; R377-E381 IonicContact NH1-OE2 3.95Å; R377-E381 PolarHBondContact NH1-OE2 3.42Å; R377-E381 WeakPolarHBondContact O-CB 3.43Å; R377-E381 PolarHBondContact O-N 3.47Å
382	S	95.6	Very high	95.7	Very high	4 Å²	4	62.1 Å²	62.1	3%	0.028	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-36.1	-170.3	-56.5	0	0	0	0	114.3	T316 A320 F378	T316-S382 VanDerWaalsContact CA-OG 3.29Å; T316-S382 WeakPolarHBondContact CA-OG 3.41Å; T316-S382 WeakPolarHBondContact CB-OG 3.26Å; T316-S382 PolarHBondContact O-OG 2.81Å; A320-S382 WeakPolarHBondContact CA-O 3.32Å; F378-S382 WeakPolarHBondContact O-CA 3.45Å; F378-S382 VanDerWaalsContact O-CB 3.3Å; F378-S382 WeakPolarHBondContact O-CB 3.41Å; F378-S382 PolarHBondContact O-N 2.88Å
383	F	95.6	Very high	95.8	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	-104.6	15.2	-172.6	-49.4	-33.1	0	0	0	113.8	L311 L319 Y323 M336 M340 F378 L379 N385 D386 F389	L311-F383 HydrophobicContact CD2-CZ 4.39Å; L319-F383 HydrophobicContact CB-CE1 4.14Å; L319-F383 HydrophobicContact CD2-CE1 4.32Å; L319-F383 HydrophobicContact CD2-CZ 4.38Å; Y323-F383 HydrophobicContact CD2-CB 4.21Å; Y323-F383 HydrophobicContact CD2-CD1 4.22Å; Y323-F383 HydrophobicContact CE2-CB 4.39Å; Y323-F383 HydrophobicContact CG-CD1 4.43Å; M336-F383 HydrophobicContact CE-CD1 3.78Å; M336-F383 HydrophobicContact CE-CE1 3.18Å; M336-F383 HydrophobicContact CE-CZ 3.91Å; M340-F383 HydrophobicContact SD-CE2 3.8Å; F378-F383 HydrophobicContact CB-CD2 4.5Å; F378-F383 HydrophobicContact CB-CE2 3.97Å; F378-F383 HydrophobicContact CB-CZ 4.37Å; F378-F383 PolarHBondContact O-N 3.21Å; F378-F383 VanDerWaalsContact O-N 3.09Å; L379-F383 HydrophobicContact CD1-CB 4.35Å; L379-F383 CarbonylContact O-C 3.32Å; F383-N385 PolarHBondContact O-N 2.96Å; F383-N385 VanDerWaalsContact O-N 3.08Å; F383-D386 WeakPolarHBondContact O-CB 3.21Å; F383-D386 PolarHBondContact O-N 2.86Å; F383-F389 HydrophobicContact CB-CD1 4.48Å; F383-F389 HydrophobicContact CB-CD2 4.49Å; F383-F389 HydrophobicContact CB-CG 4.27Å; F383-F389 HydrophobicContact CD1-CE1 4.42Å; F383-F389 HydrophobicContact CD2-CB 4.3Å; F383-F389 AromaticContact CD2-CD1 3.51Å; F383-F389 HydrophobicContact CD2-CD1 3.51Å; F383-F389 HydrophobicContact CD2-CE1 4.03Å; F383-F389 HydrophobicContact CD2-CG 4Å; F383-F389 HydrophobicContact CE1-CE1 4.5Å; F383-F389 AromaticContact CE2-CD1 3.8Å; F383-F389 HydrophobicContact CE2-CD1 3.8Å; F383-F389 HydrophobicContact CE2-CE1 4.08Å; F383-F389 AromaticContact CG-CD1 3.96Å; F383-F389 HydrophobicContact CG-CD1 3.96Å; F383-F389 HydrophobicContact CG-CE1 4.21Å; F383-F389 HydrophobicContact CG-CG 4.25Å; F383-F389 HydrophobicContact CZ-CD1 4.48Å; F383-F389 HydrophobicContact CZ-CE1 4.32Å
384	N	94.1	Very high	95.8	Very high	131 Å²	131	60.3 Å²	60.3	70%	0.701	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	34.3	177.1	-165	40.9	0	0	0	114.1	Y323 L379 D386	Y323-N384 HydrophobicContact CE1-CB 3.9Å; L379-N384 PolarHBondContact O-N 3.42Å; N384-D386 PolarHBondContact O-N 3.43Å
385	N	94.6	Very high	95.9	Very high	82 Å²	82	58 Å²	58	44%	0.439	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	34.9	-175.7	-165.7	32.8	0	0	0	113.8	L379 F383	L379-N385 WeakPolarHBondContact O-CA 3.5Å; L379-N385 PolarHBondContact O-N 2.96Å; F383-N385 PolarHBondContact O-N 2.96Å; F383-N385 VanDerWaalsContact O-N 3.08Å
386	D	96.3	Very high	95.9	Very high	37 Å²	37	58 Å²	58	20%	0.198	29%	0.289	C	S	.	.			trans	-59.1	137.4	-177.8	-178.3	-86.4	0	0	0	112.7	Y323 F383 N384 L388 F389 K390	Y323-D386 HydrophobicContact CE2-CB 4.08Å; F383-D386 WeakPolarHBondContact O-CB 3.21Å; F383-D386 PolarHBondContact O-N 2.86Å; N384-D386 PolarHBondContact O-N 3.43Å; D386-L388 PolarHBondContact O-N 3.29Å; D386-L388 WeakPolarHBondContact OD1-CA 3.36Å; D386-L388 WeakPolarHBondContact OD1-CB 3.27Å; D386-L388 PolarHBondContact OD1-N 3.08Å; D386-F389 HydrophobicContact CB-CD2 3.91Å; D386-F389 PolarHBondContact O-N 3.49Å; D386-F389 WeakPolarHBondContact OD1-CD2 3.49Å; D386-F389 PolarHBondContact OD1-N 2.99Å; D386-K390 WeakPolarHBondContact O-CB 3.42Å; D386-K390 PolarHBondContact O-N 2.95Å
387	R	95.7	Very high	96	Very high	188 Å²	188	55.6 Å²	55.6	71%	0.709	28%	0.276	S	S	*	.	H	α-helix	trans	-66.5	-37.7	-174.3	-178.7	177.2	171.7	171.1	-1.9	112.7	K390 Q391	R387-K390 PolarHBondContact O-N 3.27Å; R387-Q391 HydrophobicContact CG-CG 4.32Å; R387-Q391 VanDerWaalsContact NE-NE2 3.15Å; R387-Q391 WeakPolarHBondContact O-CB 3.46Å; R387-Q391 VanDerWaalsContact O-CG 3.28Å; R387-Q391 WeakPolarHBondContact O-CG 3.49Å; R387-Q391 PolarHBondContact O-N 3.12Å
388	L	96.1	Very high	96	Very high	70 Å²	70	54.5 Å²	54.5	37%	0.366	28%	0.275	S	S	.	.	H	α-helix	trans	-64.6	-45.8	179.8	177.7	65.3	0	0	0	110.2	C337 D386 Q391 T392	C337-L388 HydrophobicContact CB-CD2 4.22Å; C337-L388 HydrophobicContact CB-CG 4.38Å; D386-L388 PolarHBondContact O-N 3.29Å; D386-L388 WeakPolarHBondContact OD1-CA 3.36Å; D386-L388 WeakPolarHBondContact OD1-CB 3.27Å; D386-L388 PolarHBondContact OD1-N 3.08Å; L388-Q391 PolarHBondContact O-N 3.19Å; L388-T392 WeakPolarHBondContact O-CB 3.36Å; L388-T392 PolarHBondContact O-N 3.31Å; L388-T392 PolarHBondContact O-OG1 3.14Å
389	F	96.9	Very high	95.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.6	-45.6	176.2	-74.7	-97.4	0	0	0	111.5	Y323 L333 M336 C337 M340 L379 F383 D386 Q391 T392 I393	Y323-F389 HydrophobicContact CD2-CE2 4.2Å; Y323-F389 HydrophobicContact CE2-CE2 4.13Å; L333-F389 HydrophobicContact CB-CE2 4.3Å; L333-F389 HydrophobicContact CD2-CE2 4.34Å; M336-F389 HydrophobicContact CB-CZ 4.19Å; M336-F389 HydrophobicContact CE-CE1 4.35Å; M336-F389 HydrophobicContact CE-CZ 4.31Å; M336-F389 HydrophobicContact CG-CE1 4.21Å; M336-F389 HydrophobicContact CG-CZ 3.96Å; M336-F389 HydrophobicContact SD-CE1 4.44Å; M336-F389 HydrophobicContact SD-CZ 3.92Å; C337-F389 HydrophobicContact CB-CE1 4.28Å; C337-F389 HydrophobicContact CB-CZ 4.23Å; M340-F389 HydrophobicContact CE-CD1 3.66Å; M340-F389 HydrophobicContact CE-CE1 4.33Å; M340-F389 HydrophobicContact CE-CG 4.49Å; M340-F389 HydrophobicContact SD-CD1 3.67Å; M340-F389 HydrophobicContact SD-CE1 4.15Å; L379-F389 HydrophobicContact CD1-CB 3.8Å; F383-F389 HydrophobicContact CB-CD1 4.48Å; F383-F389 HydrophobicContact CB-CD2 4.49Å; F383-F389 HydrophobicContact CB-CG 4.27Å; F383-F389 HydrophobicContact CD1-CE1 4.42Å; F383-F389 HydrophobicContact CD2-CB 4.3Å; F383-F389 AromaticContact CD2-CD1 3.51Å; F383-F389 HydrophobicContact CD2-CD1 3.51Å; F383-F389 HydrophobicContact CD2-CE1 4.03Å; F383-F389 HydrophobicContact CD2-CG 4Å; F383-F389 HydrophobicContact CE1-CE1 4.5Å; F383-F389 AromaticContact CE2-CD1 3.8Å; F383-F389 HydrophobicContact CE2-CD1 3.8Å; F383-F389 HydrophobicContact CE2-CE1 4.08Å; F383-F389 AromaticContact CG-CD1 3.96Å; F383-F389 HydrophobicContact CG-CD1 3.96Å; F383-F389 HydrophobicContact CG-CE1 4.21Å; F383-F389 HydrophobicContact CG-CG 4.25Å; F383-F389 HydrophobicContact CZ-CD1 4.48Å; F383-F389 HydrophobicContact CZ-CE1 4.32Å; D386-F389 HydrophobicContact CB-CD2 3.91Å; D386-F389 PolarHBondContact O-N 3.49Å; D386-F389 WeakPolarHBondContact OD1-CD2 3.49Å; D386-F389 PolarHBondContact OD1-N 2.99Å; F389-Q391 PolarHBondContact O-N 3.36Å; F389-T392 PolarHBondContact O-N 2.89Å; F389-I393 WeakPolarHBondContact O-CB 3.33Å; F389-I393 VanDerWaalsContact O-CG1 3.26Å; F389-I393 WeakPolarHBondContact O-CG1 3.44Å; F389-I393 PolarHBondContact O-N 3.38Å
390	K	96.2	Very high	95.8	Very high	118 Å²	118	58.5 Å²	58.5	51%	0.513	29%	0.29	S	S	.	.	H	α-helix	trans	-58.5	-45.5	177.9	-173	172.6	-177.9	171.3	0	112.8	L379 D386 R387 A394	L379-K390 HydrophobicContact CD1-CB 4.29Å; L379-K390 HydrophobicContact CD2-CB 3.82Å; L379-K390 HydrophobicContact CD2-CD 4.37Å; L379-K390 HydrophobicContact CD2-CG 3.93Å; D386-K390 WeakPolarHBondContact O-CB 3.42Å; D386-K390 PolarHBondContact O-N 2.95Å; R387-K390 PolarHBondContact O-N 3.27Å; K390-A394 WeakPolarHBondContact O-CB 3.45Å; K390-A394 PolarHBondContact O-N 3.01Å; K390-A394 VanDerWaalsContact O-N 3.07Å
391	Q	96.6	Very high	95.7	Very high	107 Å²	107	53 Å²	53	50%	0.5	26%	0.261	S	S	.	.	H	α-helix	trans	-66.7	-40.3	178.3	-74.1	179.6	-17.2	0	0	111.8	R387 L388 F389 A394 G395	R387-Q391 HydrophobicContact CG-CG 4.32Å; R387-Q391 VanDerWaalsContact NE-NE2 3.15Å; R387-Q391 WeakPolarHBondContact O-CB 3.46Å; R387-Q391 VanDerWaalsContact O-CG 3.28Å; R387-Q391 WeakPolarHBondContact O-CG 3.49Å; R387-Q391 PolarHBondContact O-N 3.12Å; L388-Q391 PolarHBondContact O-N 3.19Å; F389-Q391 PolarHBondContact O-N 3.36Å; Q391-A394 PolarHBondContact O-N 3.02Å; Q391-G395 PolarHBondContact O-N 3.32Å
392	T	97.3	Very high	95.6	Very high	32 Å²	32	50.1 Å²	50.1	20%	0.196	25%	0.249	C	C	.	.	H	α-helix	trans	-66.7	-45.9	179	-58.1	0	0	0	0	111.5	C337 M340 L388 F389 A394 G395 D396	C337-T392 WeakPolarHBondContact SG-CB 3.49Å; C337-T392 PolarHBondContact SG-OG1 3.34Å; M340-T392 HydrophobicContact CE-CG2 4.25Å; L388-T392 WeakPolarHBondContact O-CB 3.36Å; L388-T392 PolarHBondContact O-N 3.31Å; L388-T392 PolarHBondContact O-OG1 3.14Å; F389-T392 PolarHBondContact O-N 2.89Å; T392-A394 VanDerWaalsContact C-N 3.35Å; T392-A394 PolarHBondContact O-N 3.43Å; T392-G395 PolarHBondContact O-N 3.35Å; T392-D396 WeakPolarHBondContact O-CB 3.38Å; T392-D396 VanDerWaalsContact O-CG 3.23Å; T392-D396 PolarHBondContact O-N 3.36Å
393	I	97	Very high	95.4	Very high	4 Å²	4	54 Å²	54	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-57.8	-48.8	174.4	-66.9	163.5	0	0	0	110	M340 L344 F375 L379 F389 G395 D396 F397	M340-I393 HydrophobicContact CE-CD1 4.28Å; M340-I393 HydrophobicContact CE-CG1 3.75Å; M340-I393 HydrophobicContact SD-CD1 4.32Å; M340-I393 HydrophobicContact SD-CG1 4.24Å; L344-I393 HydrophobicContact CD2-CB 4.35Å; L344-I393 HydrophobicContact CD2-CG1 4.21Å; L344-I393 HydrophobicContact CD2-CG2 4.21Å; F375-I393 HydrophobicContact CB-CD1 4.33Å; F375-I393 HydrophobicContact CB-CG2 4.29Å; F375-I393 HydrophobicContact CD1-CD1 4.31Å; F375-I393 HydrophobicContact CD1-CG1 4.25Å; L379-I393 HydrophobicContact CB-CD1 4.32Å; F389-I393 WeakPolarHBondContact O-CB 3.33Å; F389-I393 VanDerWaalsContact O-CG1 3.26Å; F389-I393 WeakPolarHBondContact O-CG1 3.44Å; F389-I393 PolarHBondContact O-N 3.38Å; I393-G395 PolarHBondContact O-N 2.93Å; I393-D396 PolarHBondContact O-N 2.93Å; I393-F397 HydrophobicContact CG2-CD2 3.85Å; I393-F397 HydrophobicContact CG2-CE2 3.97Å; I393-F397 WeakPolarHBondContact O-CD2 3.37Å; I393-F397 PolarHBondContact O-N 3.28Å
394	A	95.8	Very high	95	Very high	33 Å²	33	54.6 Å²	54.6	27%	0.273	27%	0.272	S	S	.	.	H	α-helix	trans	-59.5	-44.7	178.3	0	0	0	0	0	112.5	K390 Q391 T392 D396 F397 E398 F444	K390-A394 WeakPolarHBondContact O-CB 3.45Å; K390-A394 PolarHBondContact O-N 3.01Å; K390-A394 VanDerWaalsContact O-N 3.07Å; Q391-A394 PolarHBondContact O-N 3.02Å; T392-A394 VanDerWaalsContact C-N 3.35Å; T392-A394 PolarHBondContact O-N 3.43Å; A394-D396 VanDerWaalsContact C-N 3.35Å; A394-F397 PolarHBondContact O-N 3.43Å; A394-E398 PolarHBondContact O-N 3.19Å; A394-F444 HydrophobicContact CB-CE1 3.86Å; A394-F444 HydrophobicContact CB-CZ 4.23Å
395	G	96.4	Very high	94.7	Very high	31 Å²	31	51.6 Å²	51.6	32%	0.32	26%	0.262	S	S	.	.	H	α-helix	trans	-65.9	-34.9	178.1	0	0	0	0	0	113.3	Q391 T392 I393 E398 Y399	Q391-G395 PolarHBondContact O-N 3.32Å; T392-G395 PolarHBondContact O-N 3.35Å; I393-G395 PolarHBondContact O-N 2.93Å; G395-E398 PolarHBondContact O-N 3.46Å; G395-Y399 WeakPolarHBondContact O-CB 3.41Å; G395-Y399 PolarHBondContact O-N 3.02Å
396	D	97.5	Very high	94.4	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.011	25%	0.254	C	S	.	.	H	α-helix	trans	-71.4	-41.8	176.8	-69.6	-21.6	0	0	0	111.6	S341 L344 R345 T392 I393 A394 E398 Y399 F400	S341-D396 WeakPolarHBondContact CA-OD2 3.22Å; S341-D396 WeakPolarHBondContact CB-OD2 3.5Å; S341-D396 PolarHBondContact OG-OD1 2.89Å; S341-D396 PolarHBondContact OG-OD2 3.42Å; L344-D396 HydrophobicContact CD2-CB 3.76Å; L344-D396 HydrophobicContact CG-CB 4.09Å; R345-D396 HydrophobicContact CG-CB 4.19Å; R345-D396 IonicContact CZ-OD1 3.83Å; R345-D396 VanDerWaalsContact CZ-OD1 3.27Å; R345-D396 IonicContact NE-OD1 3.97Å; R345-D396 PolarHBondContact NE-OD1 3.42Å; R345-D396 IonicContact NH2-OD1 3.76Å; R345-D396 PolarHBondContact NH2-OD1 3Å; T392-D396 WeakPolarHBondContact O-CB 3.38Å; T392-D396 VanDerWaalsContact O-CG 3.23Å; T392-D396 PolarHBondContact O-N 3.36Å; I393-D396 PolarHBondContact O-N 2.93Å; A394-D396 VanDerWaalsContact C-N 3.35Å; D396-E398 VanDerWaalsContact C-N 3.35Å; D396-E398 PolarHBondContact O-N 2.85Å; D396-Y399 WeakPolarHBondContact O-CB 3.42Å; D396-Y399 PolarHBondContact O-N 3.46Å; D396-Y399 VanDerWaalsContact O-N 3.11Å; D396-F400 VanDerWaalsContact C-CE1 3.48Å; D396-F400 HydrophobicContact CB-CE1 4.38Å; D396-F400 WeakPolarHBondContact O-CD1 3.47Å; D396-F400 WeakPolarHBondContact O-CE1 3.36Å; D396-F400 WeakPolarHBondContact O-CG 3.47Å; D396-F400 PolarHBondContact O-N 2.95Å
397	F	96.6	Very high	94.2	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-42.6	171.6	-90.6	-91.6	0	0	0	112.3	L344 L371 K372 I393 A394 Y399 F400 L401 L441 F444	L344-F397 HydrophobicContact CD1-CE2 3.97Å; L344-F397 HydrophobicContact CD1-CZ 4.5Å; L344-F397 HydrophobicContact CD2-CD2 4.34Å; L344-F397 HydrophobicContact CD2-CE2 4.23Å; L371-F397 HydrophobicContact CB-CZ 4.33Å; L371-F397 HydrophobicContact CD2-CZ 4.29Å; L371-F397 HydrophobicContact CG-CZ 4.03Å; K372-F397 HydrophobicContact CB-CE1 3.68Å; K372-F397 HydrophobicContact CB-CE2 4.39Å; K372-F397 HydrophobicContact CB-CZ 3.58Å; K372-F397 HydrophobicContact CD-CD1 4.29Å; K372-F397 HydrophobicContact CD-CD2 3.98Å; K372-F397 HydrophobicContact CD-CE1 4.02Å; K372-F397 HydrophobicContact CD-CE2 3.68Å; K372-F397 HydrophobicContact CD-CG 4.29Å; K372-F397 HydrophobicContact CD-CZ 3.73Å; K372-F397 HydrophobicContact CG-CE1 4.34Å; K372-F397 HydrophobicContact CG-CZ 4.25Å; I393-F397 HydrophobicContact CG2-CD2 3.85Å; I393-F397 HydrophobicContact CG2-CE2 3.97Å; I393-F397 WeakPolarHBondContact O-CD2 3.37Å; I393-F397 PolarHBondContact O-N 3.28Å; A394-F397 PolarHBondContact O-N 3.43Å; F397-Y399 VanDerWaalsContact C-N 3.32Å; F397-Y399 PolarHBondContact O-N 2.92Å; F397-F400 HydrophobicContact CB-CZ 4.08Å; F397-F400 AromaticContact CD1-CE2 3.73Å; F397-F400 HydrophobicContact CD1-CE2 3.73Å; F397-F400 AromaticContact CD1-CZ 3.42Å; F397-F400 HydrophobicContact CD1-CZ 3.42Å; F397-F400 VanDerWaalsContact CD1-CZ 3.42Å; F397-F400 HydrophobicContact CD2-CE1 4.33Å; F397-F400 AromaticContact CD2-CZ 3.87Å; F397-F400 HydrophobicContact CD2-CZ 3.87Å; F397-F400 HydrophobicContact CE1-CE2 4.03Å; F397-F400 AromaticContact CE1-CZ 3.64Å; F397-F400 HydrophobicContact CE1-CZ 3.64Å; F397-F400 HydrophobicContact CE2-CZ 4.07Å; F397-F400 HydrophobicContact CG-CE1 4.24Å; F397-F400 HydrophobicContact CG-CE2 4.18Å; F397-F400 AromaticContact CG-CZ 3.53Å; F397-F400 HydrophobicContact CG-CZ 3.53Å; F397-F400 AromaticContact CZ-CZ 3.94Å; F397-F400 HydrophobicContact CZ-CZ 3.94Å; F397-L401 WeakPolarHBondContact O-CB 3.19Å; F397-L401 PolarHBondContact O-N 3.38Å; F397-L401 VanDerWaalsContact O-N 3.15Å; F397-L441 HydrophobicContact CD1-CD2 4.13Å; F397-L441 HydrophobicContact CE1-CD2 4.35Å; F397-F444 HydrophobicContact CB-CD2 3.62Å; F397-F444 HydrophobicContact CB-CE2 3.77Å; F397-F444 HydrophobicContact CB-CG 4.11Å; F397-F444 HydrophobicContact CB-CZ 4.38Å; F397-F444 HydrophobicContact CD1-CD2 4.41Å; F397-F444 HydrophobicContact CD1-CE2 4.46Å; F397-F444 HydrophobicContact CG-CD2 4.29Å; F397-F444 HydrophobicContact CG-CE2 4.17Å
398	E	95.1	Very high	94.1	Very high	71 Å²	71	40.9 Å²	40.9	33%	0.332	21%	0.214	S	C	.	.	H	α-helix	trans	-61.1	-41.2	171.7	-175.4	176.6	174.6	0	0	111.2	A394 G395 D396 N402 F444 Q446	A394-E398 PolarHBondContact O-N 3.19Å; G395-E398 PolarHBondContact O-N 3.46Å; D396-E398 VanDerWaalsContact C-N 3.35Å; D396-E398 PolarHBondContact O-N 2.85Å; E398-N402 PolarHBondContact O-ND2 3.21Å; E398-F444 HydrophobicContact CB-CB 4.38Å; E398-Q446 PolarHBondContact OE1-NE2 2.96Å
399	Y	95	Very high	93.9	Very high	91 Å²	91	37.8 Å²	37.8	36%	0.357	20%	0.197	S	C	.	.	H	α-helix	trans	-63.5	-57.7	-179.3	171.1	-101.7	0	0	0	112.8	R345 K349 G395 D396 F397 L403	R345-Y399 HydrophobicContact CG-CD1 4.13Å; R345-Y399 HydrophobicContact CG-CE1 4.46Å; K349-Y399 PolarHBondContact NZ-OH 2.96Å; G395-Y399 WeakPolarHBondContact O-CB 3.41Å; G395-Y399 PolarHBondContact O-N 3.02Å; D396-Y399 WeakPolarHBondContact O-CB 3.42Å; D396-Y399 PolarHBondContact O-N 3.46Å; D396-Y399 VanDerWaalsContact O-N 3.11Å; F397-Y399 VanDerWaalsContact C-N 3.32Å; F397-Y399 PolarHBondContact O-N 2.92Å; Y399-L403 HydrophobicContact CE1-CD1 4.03Å; Y399-L403 HydrophobicContact CE2-CD2 4.4Å
400	F	94.1	Very high	93.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-76.7	-30.4	-173.2	58.8	-110.3	0	0	0	113.4	L344 V352 L368 L371 D396 F397 N402 L403	L344-F400 HydrophobicContact CD1-CE1 4.21Å; L344-F400 HydrophobicContact CG-CE1 4.19Å; V352-F400 HydrophobicContact CG1-CD2 4.06Å; V352-F400 HydrophobicContact CG2-CB 4.33Å; V352-F400 WeakPolarHBondContact CG2-O 3.36Å; L368-F400 HydrophobicContact CD2-CD2 4.27Å; L368-F400 HydrophobicContact CD2-CE2 3.74Å; L371-F400 HydrophobicContact CD2-CZ 4.35Å; D396-F400 VanDerWaalsContact C-CE1 3.48Å; D396-F400 HydrophobicContact CB-CE1 4.38Å; D396-F400 WeakPolarHBondContact O-CD1 3.47Å; D396-F400 WeakPolarHBondContact O-CE1 3.36Å; D396-F400 WeakPolarHBondContact O-CG 3.47Å; D396-F400 PolarHBondContact O-N 2.95Å; F397-F400 HydrophobicContact CB-CZ 4.08Å; F397-F400 AromaticContact CD1-CE2 3.73Å; F397-F400 HydrophobicContact CD1-CE2 3.73Å; F397-F400 AromaticContact CD1-CZ 3.42Å; F397-F400 HydrophobicContact CD1-CZ 3.42Å; F397-F400 VanDerWaalsContact CD1-CZ 3.42Å; F397-F400 HydrophobicContact CD2-CE1 4.33Å; F397-F400 AromaticContact CD2-CZ 3.87Å; F397-F400 HydrophobicContact CD2-CZ 3.87Å; F397-F400 HydrophobicContact CE1-CE2 4.03Å; F397-F400 AromaticContact CE1-CZ 3.64Å; F397-F400 HydrophobicContact CE1-CZ 3.64Å; F397-F400 HydrophobicContact CE2-CZ 4.07Å; F397-F400 HydrophobicContact CG-CE1 4.24Å; F397-F400 HydrophobicContact CG-CE2 4.18Å; F397-F400 AromaticContact CG-CZ 3.53Å; F397-F400 HydrophobicContact CG-CZ 3.53Å; F397-F400 AromaticContact CZ-CZ 3.94Å; F397-F400 HydrophobicContact CZ-CZ 3.94Å; F400-N402 PolarHBondContact O-N 3.15Å; F400-L403 HydrophobicContact CB-CD1 4.21Å; F400-L403 WeakPolarHBondContact O-CB 3.49Å; F400-L403 PolarHBondContact O-N 2.78Å; F400-L403 VanDerWaalsContact O-N 3.09Å
401	L	92.8	Very high	93.6	Very high	3 Å²	3	33 Å²	33	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-60.9	-33.6	178.6	-174.9	65.5	0	0	0	111.8	L368 F397 S407 L441 F444 M445	L368-L401 HydrophobicContact CD1-CD1 3.75Å; F397-L401 WeakPolarHBondContact O-CB 3.19Å; F397-L401 PolarHBondContact O-N 3.38Å; F397-L401 VanDerWaalsContact O-N 3.15Å; L401-S407 WeakPolarHBondContact O-CB 3.48Å; L401-S407 PolarHBondContact O-OG 2.72Å; L401-L441 VanDerWaalsContact CD2-O 3.29Å; L401-L441 WeakPolarHBondContact CD2-O 3.43Å; L401-F444 HydrophobicContact CD2-CB 3.88Å; L401-M445 HydrophobicContact CD2-CG 3.48Å; L401-M445 VanDerWaalsContact CD2-CG 3.48Å; L401-M445 HydrophobicContact CG-CG 4.12Å
402	N	92.1	Very high	93.5	Very high	47 Å²	47	27.9 Å²	27.9	25%	0.251	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	1.1	-179.8	-64.7	-64.4	0	0	0	113.7	E398 F400 N404 F444 Q446	E398-N402 PolarHBondContact O-ND2 3.21Å; F400-N402 PolarHBondContact O-N 3.15Å; N402-N404 VanDerWaalsContact C-N 3.34Å; N402-F444 PolarHBondContact ND2-O 3.45Å; N402-Q446 PolarHBondContact OD1-N 3.07Å
403	L	91.4	Very high	93.2	Very high	87 Å²	87	27.4 Å²	27.4	46%	0.455	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-29.7	170.4	-66.4	175.8	0	0	0	112	K349 V352 Y399 F400	K349-L403 HydrophobicContact CD-CD1 4.47Å; K349-L403 HydrophobicContact CG-CD1 3.81Å; V352-L403 HydrophobicContact CG2-CB 4.36Å; Y399-L403 HydrophobicContact CE1-CD1 4.03Å; Y399-L403 HydrophobicContact CE2-CD2 4.4Å; F400-L403 HydrophobicContact CB-CD1 4.21Å; F400-L403 WeakPolarHBondContact O-CB 3.49Å; F400-L403 PolarHBondContact O-N 2.78Å; F400-L403 VanDerWaalsContact O-N 3.09Å
404	N	88.6	Confident	93	Very high	11 Å²	11	27.2 Å²	27.2	6%	0.059	15%	0.147	C	C	.	.			trans	-100.3	117.1	179.5	-171.7	-30.3	0	0	0	110.8	V352 N402 R406 S407	V352-N404 HydrophobicContact CB-CB 4.24Å; V352-N404 PolarHBondContact O-ND2 2.79Å; N402-N404 VanDerWaalsContact C-N 3.34Å; N404-R406 PolarHBondContact O-N 2.89Å; N404-R406 WeakPolarHBondContact OD1-CA 3.38Å; N404-R406 VanDerWaalsContact OD1-CB 3.27Å; N404-R406 WeakPolarHBondContact OD1-CB 3.4Å; N404-R406 PolarHBondContact OD1-N 3.2Å; N404-S407 WeakPolarHBondContact O-CB 3.49Å; N404-S407 PolarHBondContact O-N 3.29Å; N404-S407 PolarHBondContact O-OG 3.35Å
405	S	87.5	Confident	92.8	Very high	69 Å²	69	25.6 Å²	25.6	48%	0.483	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.4	179.5	68.2	0	0	0	0	114.4	P408	S405-P408 WeakPolarHBondContact O-CD 3.31Å
406	R	87.9	Confident	92.6	Very high	73 Å²	73	24.1 Å²	24.1	28%	0.275	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-9.1	178.7	-55.9	-176.7	179.2	-168.7	-6.4	113.5	E354 N404 P408 E409 Y410 D708	E354-R406 IonicContact OE1-NE 2.79Å; N404-R406 PolarHBondContact O-N 2.89Å; N404-R406 WeakPolarHBondContact OD1-CA 3.38Å; N404-R406 VanDerWaalsContact OD1-CB 3.27Å; N404-R406 WeakPolarHBondContact OD1-CB 3.4Å; N404-R406 PolarHBondContact OD1-N 3.2Å; R406-P408 VanDerWaalsContact C-CD 3.42Å; R406-P408 VanDerWaalsContact C-N 3.3Å; R406-E409 WeakPolarHBondContact O-CB 3.36Å; R406-E409 PolarHBondContact O-N 3.28Å; R406-Y410 HydrophobicContact CB-CD1 4.41Å; R406-Y410 HydrophobicContact CB-CD2 4.22Å; R406-Y410 HydrophobicContact CB-CE1 4.11Å; R406-Y410 HydrophobicContact CB-CE2 3.88Å; R406-Y410 HydrophobicContact CB-CG 4.48Å; R406-Y410 WeakPolarHBondContact CD-OH 3.32Å; R406-Y410 PolarHBondContact O-N 3.08Å; R406-D708 IonicContact NH2-OD1 3.88Å
407	S	92.1	Very high	92.1	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.014	13%	0.132	C	C	.	.	H	α-helix	trans	-48.9	-43.5	177.8	-68.9	0	0	0	0	113.6	Y364 L401 N404 Y410 L411	Y364-S407 PolarHBondContact OH-OG 3.1Å; L401-S407 WeakPolarHBondContact O-CB 3.48Å; L401-S407 PolarHBondContact O-OG 2.72Å; N404-S407 WeakPolarHBondContact O-CB 3.49Å; N404-S407 PolarHBondContact O-N 3.29Å; N404-S407 PolarHBondContact O-OG 3.35Å; S407-Y410 PolarHBondContact O-N 3.43Å; S407-L411 WeakPolarHBondContact O-CB 3.18Å; S407-L411 PolarHBondContact O-N 2.98Å
408	P	92.9	Very high	91.7	Very high	6 Å²	6	27.9 Å²	27.9	4%	0.039	14%	0.138	C	C	.	.	H	α-helix	trans	-64.4	-40	176.5	-22.9	35.5	0	0	0	113.9	S405 R406 S412 M445 E447 V450 F451	S405-P408 WeakPolarHBondContact O-CD 3.31Å; R406-P408 VanDerWaalsContact C-CD 3.42Å; R406-P408 VanDerWaalsContact C-N 3.3Å; P408-S412 WeakPolarHBondContact O-CB 3.47Å; P408-S412 PolarHBondContact O-N 3Å; P408-M445 HydrophobicContact CB-SD 4.32Å; P408-M445 HydrophobicContact CG-SD 4.23Å; P408-E447 HydrophobicContact CG-CB 4.38Å; P408-V450 HydrophobicContact CB-CB 4.14Å; P408-V450 HydrophobicContact CB-CG1 3.97Å; P408-V450 HydrophobicContact CG-CB 4.37Å; P408-V450 HydrophobicContact CG-CG1 4.33Å; P408-F451 HydrophobicContact CB-CB 3.99Å; P408-F451 WeakPolarHBondContact O-CD2 3.47Å
409	E	91.4	Very high	91.5	Very high	5 Å²	5	24.6 Å²	24.6	2%	0.023	12%	0.122	C	C	.	.	H	α-helix	trans	-64	-47.3	175.6	-176.5	-172.5	171.8	0	0	110	R406 S412 L413 Y454 R711	R406-E409 WeakPolarHBondContact O-CB 3.36Å; R406-E409 PolarHBondContact O-N 3.28Å; E409-S412 WeakPolarHBondContact O-CB 3.4Å; E409-S412 PolarHBondContact O-N 3.28Å; E409-L413 HydrophobicContact CG-CD1 4.01Å; E409-L413 WeakPolarHBondContact O-CG 3.38Å; E409-L413 PolarHBondContact O-N 3.21Å; E409-Y454 HydrophobicContact CB-CD2 3.88Å; E409-Y454 HydrophobicContact CB-CE1 4.45Å; E409-Y454 HydrophobicContact CB-CE2 3.76Å; E409-Y454 HydrophobicContact CB-CG 4.29Å; E409-Y454 HydrophobicContact CG-CD1 4.11Å; E409-Y454 HydrophobicContact CG-CD2 4.33Å; E409-Y454 HydrophobicContact CG-CE1 3.99Å; E409-Y454 HydrophobicContact CG-CE2 4.22Å; E409-Y454 HydrophobicContact CG-CG 4.29Å; E409-R711 IonicContact OE1-CZ 3.92Å; E409-R711 IonicContact OE1-NE 2.69Å; E409-R711 PolarHBondContact OE1-NE 3.24Å; E409-R711 IonicContact OE1-NH2 3.8Å; E409-R711 PolarHBondContact OE1-NH2 3.37Å; E409-R711 IonicContact OE2-CZ 3.32Å; E409-R711 IonicContact OE2-NE 3.41Å; E409-R711 PolarHBondContact OE2-NE 3.43Å; E409-R711 IonicContact OE2-NH2 3.79Å
410	Y	92.3	Very high	91	Very high	16 Å²	16	23.2 Å²	23.2	6%	0.063	12%	0.118	C	C	.	.	H	α-helix	trans	-65.5	-41.3	-177.1	-68	-10.9	0	0	0	112.7	P361 Y364 R406 S407 S412 L413 F414	P361-Y410 HydrophobicContact CB-CD1 3.78Å; P361-Y410 HydrophobicContact CB-CE1 4.44Å; P361-Y410 HydrophobicContact CB-CG 4.04Å; P361-Y410 HydrophobicContact CG-CD1 3.72Å; P361-Y410 HydrophobicContact CG-CE1 3.93Å; P361-Y410 HydrophobicContact CG-CG 4.41Å; Y364-Y410 AromaticContact CD1-CD2 3.78Å; Y364-Y410 HydrophobicContact CD1-CD2 3.78Å; Y364-Y410 HydrophobicContact CD1-CG 4.46Å; Y364-Y410 HydrophobicContact CD2-CD2 4.02Å; Y364-Y410 HydrophobicContact CD2-CE2 4.25Å; Y364-Y410 HydrophobicContact CE1-CD2 4.05Å; Y364-Y410 HydrophobicContact CE2-CD2 4.22Å; Y364-Y410 HydrophobicContact CE2-CE2 4.46Å; Y364-Y410 AromaticContact CG-CD2 3.78Å; Y364-Y410 HydrophobicContact CG-CD2 3.78Å; Y364-Y410 HydrophobicContact CG-CE2 4.39Å; R406-Y410 HydrophobicContact CB-CD1 4.41Å; R406-Y410 HydrophobicContact CB-CD2 4.22Å; R406-Y410 HydrophobicContact CB-CE1 4.11Å; R406-Y410 HydrophobicContact CB-CE2 3.88Å; R406-Y410 HydrophobicContact CB-CG 4.48Å; R406-Y410 WeakPolarHBondContact CD-OH 3.32Å; R406-Y410 PolarHBondContact O-N 3.08Å; S407-Y410 PolarHBondContact O-N 3.43Å; Y410-S412 VanDerWaalsContact C-N 3.3Å; Y410-S412 PolarHBondContact O-N 3.4Å; Y410-L413 HydrophobicContact CD1-CD1 4.48Å; Y410-L413 PolarHBondContact O-N 3.43Å; Y410-F414 WeakPolarHBondContact O-CB 3.49Å; Y410-F414 PolarHBondContact O-N 3.25Å
411	L	94.8	Very high	90	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-62.5	-40.8	174.1	-174	64.1	0	0	0	111.4	I365 S407 F414 I415 A438 F442 M445 F451	I365-L411 HydrophobicContact CD1-CB 3.95Å; I365-L411 HydrophobicContact CD1-CD1 4.03Å; I365-L411 HydrophobicContact CG1-CD1 4.5Å; I365-L411 HydrophobicContact CG2-CD1 4.03Å; S407-L411 WeakPolarHBondContact O-CB 3.18Å; S407-L411 PolarHBondContact O-N 2.98Å; L411-F414 PolarHBondContact O-N 3.01Å; L411-I415 HydrophobicContact CD1-CD1 4.36Å; L411-I415 HydrophobicContact CG-CD1 4.07Å; L411-I415 WeakPolarHBondContact O-CG1 3.46Å; L411-I415 PolarHBondContact O-N 3.15Å; L411-A438 HydrophobicContact CD1-CB 4.15Å; L411-F442 HydrophobicContact CD2-CB 3.9Å; L411-F442 HydrophobicContact CD2-CD2 4.31Å; L411-M445 HydrophobicContact CB-SD 4.48Å; L411-M445 HydrophobicContact CD2-CE 3.43Å; L411-M445 VanDerWaalsContact CD2-CE 3.43Å; L411-M445 HydrophobicContact CD2-SD 3.92Å; L411-F451 HydrophobicContact CB-CD2 4.27Å; L411-F451 HydrophobicContact CB-CE2 4.22Å; L411-F451 HydrophobicContact CD2-CD2 4.22Å; L411-F451 HydrophobicContact CD2-CE2 4.04Å; L411-F451 HydrophobicContact CG-CD2 4.35Å; L411-F451 HydrophobicContact CG-CE2 3.94Å
412	S	94.1	Very high	88.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65	-40.8	176.6	-179	0	0	0	0	112.5	P408 E409 Y410 I415 D416 Y454 Y455 H458	P408-S412 WeakPolarHBondContact O-CB 3.47Å; P408-S412 PolarHBondContact O-N 3Å; E409-S412 WeakPolarHBondContact O-CB 3.4Å; E409-S412 PolarHBondContact O-N 3.28Å; Y410-S412 VanDerWaalsContact C-N 3.3Å; Y410-S412 PolarHBondContact O-N 3.4Å; S412-I415 PolarHBondContact O-N 3.27Å; S412-D416 VanDerWaalsContact O-CB 3.31Å; S412-D416 WeakPolarHBondContact O-CB 3.4Å; S412-D416 PolarHBondContact O-N 2.69Å; S412-Y454 VanDerWaalsContact OG-C 3.32Å; S412-Y455 WeakPolarHBondContact OG-CA 3.37Å; S412-Y455 PolarHBondContact OG-N 3.39Å; S412-H458 PolarHBondContact OG-ND1 3.39Å
413	L	91.4	Very high	87.2	Confident	21 Å²	21	31.6 Å²	31.6	11%	0.11	18%	0.175	C	C	.	.	H	α-helix	trans	-66.5	-39.6	175.3	-75	169.9	0	0	0	112.2	P361 E409 Y410 D416 D417 H458	P361-L413 HydrophobicContact CB-CB 3.95Å; P361-L413 HydrophobicContact CB-CD1 4.1Å; P361-L413 HydrophobicContact CG-CB 4.41Å; P361-L413 HydrophobicContact CG-CD1 3.71Å; E409-L413 HydrophobicContact CG-CD1 4.01Å; E409-L413 WeakPolarHBondContact O-CG 3.38Å; E409-L413 PolarHBondContact O-N 3.21Å; Y410-L413 HydrophobicContact CD1-CD1 4.48Å; Y410-L413 PolarHBondContact O-N 3.43Å; L413-D416 PolarHBondContact O-N 2.91Å; L413-D417 PolarHBondContact O-N 2.88Å; L413-H458 WeakPolarHBondContact CD2-CE1 3.47Å
414	F	92.6	Very high	85.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-47.5	174.8	177	-95.4	0	0	0	111.2	V362 I365 L369 Y410 L411 D417 K418 I434 A438	V362-F414 HydrophobicContact CB-CD2 4.44Å; V362-F414 HydrophobicContact CG1-CD2 4.06Å; V362-F414 HydrophobicContact CG1-CE2 4.21Å; I365-F414 HydrophobicContact CB-CB 4Å; I365-F414 HydrophobicContact CB-CD1 4.44Å; I365-F414 HydrophobicContact CB-CD2 3.84Å; I365-F414 HydrophobicContact CB-CE2 4.4Å; I365-F414 HydrophobicContact CB-CG 3.85Å; I365-F414 HydrophobicContact CG1-CB 3.91Å; I365-F414 HydrophobicContact CG1-CG 4.32Å; I365-F414 HydrophobicContact CG2-CB 4.09Å; I365-F414 HydrophobicContact CG2-CD1 3.69Å; I365-F414 HydrophobicContact CG2-CD2 3.87Å; I365-F414 HydrophobicContact CG2-CE1 4.01Å; I365-F414 HydrophobicContact CG2-CE2 4.17Å; I365-F414 HydrophobicContact CG2-CG 3.61Å; I365-F414 HydrophobicContact CG2-CZ 4.23Å; L369-F414 HydrophobicContact CD1-CE1 4.03Å; L369-F414 HydrophobicContact CD1-CZ 3.78Å; Y410-F414 WeakPolarHBondContact O-CB 3.49Å; Y410-F414 PolarHBondContact O-N 3.25Å; L411-F414 PolarHBondContact O-N 3.01Å; F414-D417 WeakPolarHBondContact O-CB 3.29Å; F414-D417 PolarHBondContact O-N 3.4Å; F414-K418 HydrophobicContact CE1-CG 4.28Å; F414-K418 HydrophobicContact CZ-CG 4.39Å; F414-K418 WeakPolarHBondContact O-CG 3.32Å; F414-K418 PolarHBondContact O-N 2.85Å; F414-K418 VanDerWaalsContact O-N 3.14Å; F414-I434 HydrophobicContact CE1-CG2 3.68Å; F414-I434 HydrophobicContact CZ-CG2 3.75Å; F414-A438 HydrophobicContact CE1-CB 4.38Å
415	I	93.2	Very high	84.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.8	-39.5	177	-64.3	161.9	0	0	0	111	L411 S412 D417 K418 L419 L435 A438 F451 Y455 M477	L411-I415 HydrophobicContact CD1-CD1 4.36Å; L411-I415 HydrophobicContact CG-CD1 4.07Å; L411-I415 WeakPolarHBondContact O-CG1 3.46Å; L411-I415 PolarHBondContact O-N 3.15Å; S412-I415 PolarHBondContact O-N 3.27Å; I415-D417 VanDerWaalsContact C-N 3.29Å; I415-D417 PolarHBondContact O-N 3.01Å; I415-K418 PolarHBondContact O-N 2.97Å; I415-L419 HydrophobicContact CG2-CD1 3.64Å; I415-L419 HydrophobicContact CG2-CG 4.34Å; I415-L419 WeakPolarHBondContact O-CB 3.47Å; I415-L419 WeakPolarHBondContact O-CG 3.48Å; I415-L419 PolarHBondContact O-N 3.11Å; I415-L419 VanDerWaalsContact O-N 3.1Å; I415-L435 HydrophobicContact CG1-CD2 4.36Å; I415-L435 HydrophobicContact CG2-CD2 3.92Å; I415-A438 HydrophobicContact CG1-CB 4.37Å; I415-F451 HydrophobicContact CD1-CE2 3.91Å; I415-F451 HydrophobicContact CD1-CZ 3.81Å; I415-Y455 HydrophobicContact CG2-CE2 3.81Å; I415-M477 HydrophobicContact CD1-CE 3.73Å; I415-M477 HydrophobicContact CG2-CE 4.38Å; I415-M477 HydrophobicContact CG2-CG 4.36Å; I415-M477 HydrophobicContact CG2-SD 4.37Å
416	D	90.4	Very high	84.2	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.5	-36.3	174.3	-177.5	54.4	0	0	0	112.3	S412 L413 K420 H458 R461 R462	S412-D416 VanDerWaalsContact O-CB 3.31Å; S412-D416 WeakPolarHBondContact O-CB 3.4Å; S412-D416 PolarHBondContact O-N 2.69Å; L413-D416 PolarHBondContact O-N 2.91Å; D416-K420 WeakPolarHBondContact O-CD 3.29Å; D416-K420 WeakPolarHBondContact O-CE 3.38Å; D416-K420 VanDerWaalsContact O-CG 3.23Å; D416-K420 WeakPolarHBondContact O-CG 3.32Å; D416-K420 WeakPolarHBondContact OD1-CE 3.43Å; D416-K420 IonicContact OD1-NZ 2.76Å; D416-K420 WeakPolarHBondContact OD2-CE 3.21Å; D416-K420 IonicContact OD2-NZ 3.54Å; D416-K420 PolarHBondContact OD2-NZ 3.11Å; D416-H458 HydrophobicContact CB-CB 4.01Å; D416-R461 IonicContact OD2-NH2 3.9Å; D416-R461 PolarHBondContact OD2-NH2 2.84Å; D416-R462 VanDerWaalsContact OD1-CD 3.24Å; D416-R462 WeakPolarHBondContact OD1-CD 3.5Å; D416-R462 WeakPolarHBondContact OD1-CG 3.49Å; D416-R462 IonicContact OD1-CZ 3.32Å; D416-R462 IonicContact OD1-NE 3.44Å; D416-R462 IonicContact OD1-NH1 3.46Å; D416-R462 PolarHBondContact OD1-NH1 2.95Å
417	D	88.6	Confident	84	Confident	54 Å²	54	40.1 Å²	40.1	29%	0.289	23%	0.232	S	C	.	.	H	α-helix	trans	-64.9	-49.2	174.2	-175.2	68	0	0	0	111.6	V362 L413 F414 I415 L419 K420 V423	V362-D417 HydrophobicContact CG2-CB 4.27Å; L413-D417 PolarHBondContact O-N 2.88Å; F414-D417 WeakPolarHBondContact O-CB 3.29Å; F414-D417 PolarHBondContact O-N 3.4Å; I415-D417 VanDerWaalsContact C-N 3.29Å; I415-D417 PolarHBondContact O-N 3.01Å; D417-L419 VanDerWaalsContact C-N 3.25Å; D417-L419 PolarHBondContact O-N 2.92Å; D417-K420 PolarHBondContact O-N 2.92Å; D417-V423 WeakPolarHBondContact O-CG2 3.29Å
418	K	88.3	Confident	83.5	Confident	28 Å²	28	46.3 Å²	46.3	12%	0.122	26%	0.261	C	S	.	.	H	α-helix	trans	-67.4	-21.8	-178.4	-58	-47.8	176.8	-159.1	0	114.2	F414 I415 I434	F414-K418 HydrophobicContact CE1-CG 4.28Å; F414-K418 HydrophobicContact CZ-CG 4.39Å; F414-K418 WeakPolarHBondContact O-CG 3.32Å; F414-K418 PolarHBondContact O-N 2.85Å; F414-K418 VanDerWaalsContact O-N 3.14Å; I415-K418 PolarHBondContact O-N 2.97Å; K418-I434 HydrophobicContact CG-CG2 4.19Å
419	L	89.2	Confident	83.1	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	4.7	-179.7	-67.7	174.3	0	0	0	114.5	I415 D417 L435 S468 V469 M477	I415-L419 HydrophobicContact CG2-CD1 3.64Å; I415-L419 HydrophobicContact CG2-CG 4.34Å; I415-L419 WeakPolarHBondContact O-CB 3.47Å; I415-L419 WeakPolarHBondContact O-CG 3.48Å; I415-L419 PolarHBondContact O-N 3.11Å; I415-L419 VanDerWaalsContact O-N 3.1Å; D417-L419 VanDerWaalsContact C-N 3.25Å; D417-L419 PolarHBondContact O-N 2.92Å; L419-L435 HydrophobicContact CD2-CD1 4.16Å; L419-S468 WeakPolarHBondContact O-CA 3.33Å; L419-V469 WeakPolarHBondContact O-CG2 3.34Å; L419-V469 PolarHBondContact O-N 3.42Å; L419-M477 HydrophobicContact CD1-CB 4.49Å; L419-M477 HydrophobicContact CD1-CG 4.44Å
420	K	86.3	Confident	82.9	Confident	62 Å²	62	57.7 Å²	57.7	27%	0.27	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-88.2	139	178	-83.7	164.5	-169.5	157.1	0	113.9	D416 D417 G422 V423 K467 V469	D416-K420 WeakPolarHBondContact O-CD 3.29Å; D416-K420 WeakPolarHBondContact O-CE 3.38Å; D416-K420 VanDerWaalsContact O-CG 3.23Å; D416-K420 WeakPolarHBondContact O-CG 3.32Å; D416-K420 WeakPolarHBondContact OD1-CE 3.43Å; D416-K420 IonicContact OD1-NZ 2.76Å; D416-K420 WeakPolarHBondContact OD2-CE 3.21Å; D416-K420 IonicContact OD2-NZ 3.54Å; D416-K420 PolarHBondContact OD2-NZ 3.11Å; D417-K420 PolarHBondContact O-N 2.92Å; K420-G422 PolarHBondContact O-N 2.86Å; K420-V423 WeakPolarHBondContact O-CG2 3.47Å; K420-V423 PolarHBondContact O-N 2.88Å; K420-K467 CarbonylContact C-O 3.57Å; K420-K467 WeakPolarHBondContact CA-O 3.28Å; K420-V469 WeakPolarHBondContact O-CG2 3.25Å
421	K	71.4	Confident	82.6	Confident	114 Å²	114	57.6 Å²	57.6	50%	0.496	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	127.8	170	-72.1	-176.1	-172.7	171.3	0	110.1	N466 K467 S468	K421-N466 WeakPolarHBondContact CE-O 3.45Å; K421-N466 PolarHBondContact NZ-O 3.21Å; K421-N466 PolarHBondContact NZ-OD1 3.06Å; K421-K467 PolarHBondContact N-O 2.84Å; K421-S468 WeakPolarHBondContact CE-O 3.41Å; K421-S468 WeakPolarHBondContact CG-O 3.49Å
422	G	62.3	Low	82.3	Confident	67 Å²	67	61.2 Å²	61.2	69%	0.691	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.8	7.6	176.1	0	0	0	0	0	115.5	K420 K424	K420-G422 PolarHBondContact O-N 2.86Å; G422-K424 VanDerWaalsContact C-N 3.3Å; G422-K424 PolarHBondContact O-N 2.87Å
423	V	64.2	Low	82.2	Confident	46 Å²	46	63.9 Å²	63.9	28%	0.279	35%	0.35	S	S	.	.			trans	-64	95.3	160.2	-179.9	0	0	0	0	107.3	D417 K420 L426	D417-V423 WeakPolarHBondContact O-CG2 3.29Å; K420-V423 WeakPolarHBondContact O-CG2 3.47Å; K420-V423 PolarHBondContact O-N 2.88Å; V423-L426 HydrophobicContact CG1-CD1 3.87Å; V423-L426 HydrophobicContact CG1-CG 4.31Å
424	K	60.4	Low	82.1	Confident	202 Å²	202	64.4 Å²	64.4	88%	0.878	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	126.7	-177.6	-69.7	-176.7	177.4	-176.6	0	109.2	G422	G422-K424 VanDerWaalsContact C-N 3.3Å; G422-K424 PolarHBondContact O-N 2.87Å
425	G	66.8	Low	82.1	Confident	75 Å²	75	64.6 Å²	64.6	77%	0.773	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.6	10.2	166	0	0	0	0	0	117.2
426	L	77.3	Confident	82.1	Confident	66 Å²	66	68 Å²	68	35%	0.346	37%	0.371	S	S	.	.			trans	-112.6	135.8	169.9	-65.1	176.3	0	0	0	110.8	V423 E430 V431 I434	V423-L426 HydrophobicContact CG1-CD1 3.87Å; V423-L426 HydrophobicContact CG1-CG 4.31Å; L426-E430 WeakPolarHBondContact CA-OE2 3.39Å; L426-E430 HydrophobicContact CD2-CB 4.21Å; L426-V431 HydrophobicContact CB-CG2 4.01Å; L426-V431 HydrophobicContact CD1-CG2 4.37Å; L426-I434 HydrophobicContact CD1-CD1 4.05Å
427	T	83.9	Confident	82.2	Confident	76 Å²	76	72.7 Å²	72.7	47%	0.466	39%	0.392	S	S	.	.			trans	-77.3	159.9	169.2	62.5	0	0	0	0	110.8	Q429 E430 V431	T427-Q429 PolarHBondContact O-N 2.81Å; T427-E430 PolarHBondContact N-OE2 3.13Å; T427-E430 PolarHBondContact O-N 3.33Å; T427-E430 VanDerWaalsContact OG1-CD 3.3Å; T427-E430 VanDerWaalsContact OG1-CG 3.24Å; T427-E430 WeakPolarHBondContact OG1-CG 3.43Å; T427-E430 PolarHBondContact OG1-N 3.11Å; T427-E430 PolarHBondContact OG1-OE2 3.38Å; T427-V431 WeakPolarHBondContact O-CG2 3.4Å; T427-V431 PolarHBondContact O-N 3.06Å
428	E	81	Confident	82.5	Confident	131 Å²	131	70.1 Å²	70.1	61%	0.612	38%	0.378	S	S	*	.	H	α-helix	trans	-58.5	-35.9	176.6	-66.6	-173.6	160	0	0	112.3	V431 E432	E428-V431 PolarHBondContact O-N 3.35Å; E428-E432 PolarHBondContact O-N 3.29Å
429	Q	86.4	Confident	82.8	Confident	161 Å²	161	69.1 Å²	69.1	75%	0.752	37%	0.374	S	S	*	.	H	α-helix	trans	-66.5	-40.4	177.1	-68.7	-179.3	-5	0	0	112.5	T427 E432 S433	T427-Q429 PolarHBondContact O-N 2.81Å; Q429-E432 PolarHBondContact O-N 3.28Å; Q429-S433 PolarHBondContact O-N 2.96Å
430	E	86.8	Confident	83	Confident	90 Å²	90	70.6 Å²	70.6	42%	0.421	38%	0.383	S	S	.	.	H	α-helix	trans	-67	-40.4	176	-72.2	165.1	140.9	0	0	111.4	L426 T427 E432 S433 I434	L426-E430 WeakPolarHBondContact CA-OE2 3.39Å; L426-E430 HydrophobicContact CD2-CB 4.21Å; T427-E430 PolarHBondContact N-OE2 3.13Å; T427-E430 PolarHBondContact O-N 3.33Å; T427-E430 VanDerWaalsContact OG1-CD 3.3Å; T427-E430 VanDerWaalsContact OG1-CG 3.24Å; T427-E430 WeakPolarHBondContact OG1-CG 3.43Å; T427-E430 PolarHBondContact OG1-N 3.11Å; T427-E430 PolarHBondContact OG1-OE2 3.38Å; E430-E432 VanDerWaalsContact C-N 3.33Å; E430-E432 PolarHBondContact O-N 3.45Å; E430-S433 PolarHBondContact O-N 2.88Å; E430-I434 VanDerWaalsContact O-CG1 3.27Å; E430-I434 WeakPolarHBondContact O-CG1 3.49Å; E430-I434 PolarHBondContact O-N 2.92Å
431	V	85.4	Confident	83.4	Confident	13 Å²	13	67.7 Å²	67.7	8%	0.079	37%	0.37	C	S	.	.	H	α-helix	trans	-59.3	-46.8	173.6	174	0	0	0	0	110	L426 T427 E428 S433 I434 L435	L426-V431 HydrophobicContact CB-CG2 4.01Å; L426-V431 HydrophobicContact CD1-CG2 4.37Å; T427-V431 WeakPolarHBondContact O-CG2 3.4Å; T427-V431 PolarHBondContact O-N 3.06Å; E428-V431 PolarHBondContact O-N 3.35Å; V431-S433 PolarHBondContact O-N 3.2Å; V431-I434 PolarHBondContact O-N 3.41Å; V431-L435 HydrophobicContact CG1-CD1 4.14Å; V431-L435 HydrophobicContact CG1-CG 4.36Å; V431-L435 VanDerWaalsContact O-CG 3.31Å; V431-L435 WeakPolarHBondContact O-CG 3.26Å; V431-L435 PolarHBondContact O-N 3.02Å
432	E	88.6	Confident	84.6	Confident	78 Å²	78	62.3 Å²	62.3	36%	0.364	35%	0.347	S	S	.	.	H	α-helix	trans	-59.6	-45.9	177.5	179.5	161.5	-147.6	0	0	112.5	E428 Q429 E430 I434 L435 D436 N476 K480	E428-E432 PolarHBondContact O-N 3.29Å; Q429-E432 PolarHBondContact O-N 3.28Å; E430-E432 VanDerWaalsContact C-N 3.33Å; E430-E432 PolarHBondContact O-N 3.45Å; E432-I434 VanDerWaalsContact C-N 3.28Å; E432-I434 PolarHBondContact O-N 3.36Å; E432-L435 PolarHBondContact O-N 2.97Å; E432-L435 VanDerWaalsContact O-N 3.11Å; E432-D436 PolarHBondContact O-N 2.63Å; E432-N476 PolarHBondContact OE1-ND2 3.49Å; E432-K480 IonicContact OE1-NZ 2.86Å; E432-K480 PolarHBondContact OE1-NZ 3.04Å
433	S	91.1	Very high	86	Confident	56 Å²	56	64.6 Å²	64.6	39%	0.392	34%	0.335	S	S	.	.	H	α-helix	trans	-59.1	-39.8	176.5	-172.7	0	0	0	0	112.3	Q429 E430 V431 D436 K437	Q429-S433 PolarHBondContact O-N 2.96Å; E430-S433 PolarHBondContact O-N 2.88Å; V431-S433 PolarHBondContact O-N 3.2Å; S433-D436 PolarHBondContact O-N 2.65Å; S433-K437 WeakPolarHBondContact O-CG 3.41Å; S433-K437 PolarHBondContact O-N 3.45Å; S433-K437 VanDerWaalsContact O-N 3.15Å
434	I	90.1	Very high	87.4	Confident	33 Å²	33	63.7 Å²	63.7	17%	0.169	33%	0.327	C	S	.	.	H	α-helix	trans	-65.7	-42.3	176	-68.3	164.8	0	0	0	110.9	F414 K418 L426 E430 V431 E432 D436 K437 A438	F414-I434 HydrophobicContact CE1-CG2 3.68Å; F414-I434 HydrophobicContact CZ-CG2 3.75Å; K418-I434 HydrophobicContact CG-CG2 4.19Å; L426-I434 HydrophobicContact CD1-CD1 4.05Å; E430-I434 VanDerWaalsContact O-CG1 3.27Å; E430-I434 WeakPolarHBondContact O-CG1 3.49Å; E430-I434 PolarHBondContact O-N 2.92Å; V431-I434 PolarHBondContact O-N 3.41Å; E432-I434 VanDerWaalsContact C-N 3.28Å; E432-I434 PolarHBondContact O-N 3.36Å; I434-D436 VanDerWaalsContact C-N 3.35Å; I434-D436 PolarHBondContact O-N 3.22Å; I434-K437 PolarHBondContact O-N 2.96Å; I434-A438 WeakPolarHBondContact O-CB 3.28Å; I434-A438 PolarHBondContact O-N 2.9Å
435	L	91.9	Very high	89	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-63.8	-39.5	177.5	-65.7	177.4	0	0	0	111.7	I415 L419 V431 E432 K437 A438 M439 M477	I415-L435 HydrophobicContact CG1-CD2 4.36Å; I415-L435 HydrophobicContact CG2-CD2 3.92Å; L419-L435 HydrophobicContact CD2-CD1 4.16Å; V431-L435 HydrophobicContact CG1-CD1 4.14Å; V431-L435 HydrophobicContact CG1-CG 4.36Å; V431-L435 VanDerWaalsContact O-CG 3.31Å; V431-L435 WeakPolarHBondContact O-CG 3.26Å; V431-L435 PolarHBondContact O-N 3.02Å; E432-L435 PolarHBondContact O-N 2.97Å; E432-L435 VanDerWaalsContact O-N 3.11Å; L435-K437 PolarHBondContact O-N 2.8Å; L435-A438 WeakPolarHBondContact O-CB 3.49Å; L435-A438 PolarHBondContact O-N 3.12Å; L435-M439 WeakPolarHBondContact O-CG 3.47Å; L435-M439 PolarHBondContact O-N 3.34Å; L435-M477 HydrophobicContact CB-SD 4.27Å; L435-M477 HydrophobicContact CD1-SD 4.27Å; L435-M477 HydrophobicContact CD2-SD 3.96Å; L435-M477 HydrophobicContact CG-SD 4.38Å
436	D	93.6	Very high	90.1	Very high	71 Å²	71	54 Å²	54	38%	0.38	27%	0.265	S	S	.	.	H	α-helix	trans	-62.1	-42.4	175.4	-77.5	-26.2	0	0	0	112.2	E432 S433 I434 M439 V440 K480	E432-D436 PolarHBondContact O-N 2.63Å; S433-D436 PolarHBondContact O-N 2.65Å; I434-D436 VanDerWaalsContact C-N 3.35Å; I434-D436 PolarHBondContact O-N 3.22Å; D436-M439 PolarHBondContact O-N 3Å; D436-V440 PolarHBondContact O-N 3.15Å; D436-K480 WeakPolarHBondContact OD1-CD 3.42Å; D436-K480 VanDerWaalsContact OD1-CE 3.3Å; D436-K480 WeakPolarHBondContact OD1-CE 3.37Å; D436-K480 IonicContact OD1-NZ 3.1Å; D436-K480 PolarHBondContact OD1-NZ 3.41Å; D436-K480 IonicContact OD2-NZ 2.8Å
437	K	93.1	Very high	90.8	Very high	100 Å²	100	52.8 Å²	52.8	44%	0.435	26%	0.257	S	S	.	.	H	α-helix	trans	-66.4	-39.8	174.9	-65.3	176.6	-177.2	-179.2	0	111.7	L369 S433 I434 L435 M439 V440 L441	L369-K437 HydrophobicContact CD2-CB 3.91Å; L369-K437 WeakPolarHBondContact CD2-O 3.18Å; S433-K437 WeakPolarHBondContact O-CG 3.41Å; S433-K437 PolarHBondContact O-N 3.45Å; S433-K437 VanDerWaalsContact O-N 3.15Å; I434-K437 PolarHBondContact O-N 2.96Å; L435-K437 PolarHBondContact O-N 2.8Å; K437-M439 VanDerWaalsContact C-N 3.27Å; K437-M439 PolarHBondContact O-N 2.93Å; K437-V440 WeakPolarHBondContact O-CB 3.38Å; K437-V440 PolarHBondContact O-N 2.91Å; K437-V440 VanDerWaalsContact O-N 3.13Å; K437-L441 PolarHBondContact O-N 2.87Å
438	A	94.6	Very high	91.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-36.1	174.4	0	0	0	0	0	112	L411 F414 I415 I434 L435 V440 L441 F442	L411-A438 HydrophobicContact CD1-CB 4.15Å; F414-A438 HydrophobicContact CE1-CB 4.38Å; I415-A438 HydrophobicContact CG1-CB 4.37Å; I434-A438 WeakPolarHBondContact O-CB 3.28Å; I434-A438 PolarHBondContact O-N 2.9Å; L435-A438 WeakPolarHBondContact O-CB 3.49Å; L435-A438 PolarHBondContact O-N 3.12Å; A438-V440 VanDerWaalsContact C-N 3.29Å; A438-V440 PolarHBondContact O-N 3.1Å; A438-L441 PolarHBondContact O-N 2.84Å; A438-L441 VanDerWaalsContact O-N 3.17Å; A438-F442 PolarHBondContact O-N 2.95Å
439	M	94.8	Very high	91.8	Very high	7 Å²	7	44.6 Å²	44.6	3%	0.034	21%	0.214	C	C	.	.	H	α-helix	trans	-67.3	-26.7	175.4	-73.3	-56.4	-58.9	0	0	113.3	L435 D436 K437 F442 R443 M477 K480 L481 E484	L435-M439 WeakPolarHBondContact O-CG 3.47Å; L435-M439 PolarHBondContact O-N 3.34Å; D436-M439 PolarHBondContact O-N 3Å; K437-M439 VanDerWaalsContact C-N 3.27Å; K437-M439 PolarHBondContact O-N 2.93Å; M439-F442 HydrophobicContact CE-CB 4.28Å; M439-F442 HydrophobicContact CE-CD1 3.5Å; M439-F442 HydrophobicContact CE-CE1 4.09Å; M439-F442 HydrophobicContact CE-CG 4.05Å; M439-F442 WeakPolarHBondContact O-CB 3.4Å; M439-F442 PolarHBondContact O-N 3.25Å; M439-F442 HydrophobicContact SD-CB 4.2Å; M439-F442 HydrophobicContact SD-CD1 4.34Å; M439-F442 HydrophobicContact SD-CG 4.31Å; M439-R443 PolarHBondContact O-N 2.81Å; M439-R443 VanDerWaalsContact O-N 3.08Å; M439-M477 HydrophobicContact CG-CE 4.23Å; M439-M477 HydrophobicContact SD-CE 3.39Å; M439-M477 WeakPolarHBondContact SD-CE 3.37Å; M439-M477 HydrophobicContact SD-SD 4.44Å; M439-K480 HydrophobicContact CE-CB 4.42Å; M439-K480 HydrophobicContact CG-CB 4.15Å; M439-K480 HydrophobicContact CG-CD 4.36Å; M439-K480 HydrophobicContact SD-CB 4.46Å; M439-L481 HydrophobicContact CE-CD2 4.02Å; M439-L481 HydrophobicContact SD-CD2 3.99Å; M439-E484 HydrophobicContact CE-CB 4.3Å; M439-E484 HydrophobicContact CE-CG 3.57Å
440	V	93.1	Very high	92.2	Very high	31 Å²	31	37.1 Å²	37.1	19%	0.188	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-44.4	170.1	177.5	0	0	0	0	110.5	D436 K437 A438 F442 R443 F444	D436-V440 PolarHBondContact O-N 3.15Å; K437-V440 WeakPolarHBondContact O-CB 3.38Å; K437-V440 PolarHBondContact O-N 2.91Å; K437-V440 VanDerWaalsContact O-N 3.13Å; A438-V440 VanDerWaalsContact C-N 3.29Å; A438-V440 PolarHBondContact O-N 3.1Å; V440-F442 VanDerWaalsContact C-N 3.34Å; V440-R443 WeakPolarHBondContact O-CB 3.35Å; V440-R443 PolarHBondContact O-N 3.32Å; V440-F444 HydrophobicContact CG1-CE2 3.71Å; V440-F444 HydrophobicContact CG1-CZ 4.06Å; V440-F444 VanDerWaalsContact O-CD2 3.32Å; V440-F444 WeakPolarHBondContact O-CD2 3.41Å
441	L	94.8	Very high	92.6	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-65.3	-39.4	174.6	-63.2	-177.2	0	0	0	111.5	I365 L368 L369 F397 L401 K437 A438 R443 F444 M445	I365-L441 HydrophobicContact CG2-CD1 4.11Å; L368-L441 HydrophobicContact CB-CD1 3.95Å; L368-L441 HydrophobicContact CB-CD2 4.43Å; L369-L441 HydrophobicContact CD2-CD1 3.44Å; L369-L441 VanDerWaalsContact CD2-CD1 3.44Å; L369-L441 HydrophobicContact CD2-CG 3.75Å; L369-L441 HydrophobicContact CG-CD1 3.84Å; F397-L441 HydrophobicContact CD1-CD2 4.13Å; F397-L441 HydrophobicContact CE1-CD2 4.35Å; L401-L441 VanDerWaalsContact CD2-O 3.29Å; L401-L441 WeakPolarHBondContact CD2-O 3.43Å; K437-L441 PolarHBondContact O-N 2.87Å; A438-L441 PolarHBondContact O-N 2.84Å; A438-L441 VanDerWaalsContact O-N 3.17Å; L441-R443 PolarHBondContact O-N 3.03Å; L441-F444 HydrophobicContact CD2-CD2 4.48Å; L441-F444 PolarHBondContact O-N 2.86Å; L441-M445 PolarHBondContact O-N 3.44Å
442	F	95.4	Very high	93	Very high	1 Å²	1	33 Å²	33	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-56.4	-39.3	176.1	176.8	-96.6	0	0	0	112.6	L411 A438 M439 V440 F444 M445 K448 F451 L481 E484 C485 F489	L411-F442 HydrophobicContact CD2-CB 3.9Å; L411-F442 HydrophobicContact CD2-CD2 4.31Å; A438-F442 PolarHBondContact O-N 2.95Å; M439-F442 HydrophobicContact CE-CB 4.28Å; M439-F442 HydrophobicContact CE-CD1 3.5Å; M439-F442 HydrophobicContact CE-CE1 4.09Å; M439-F442 HydrophobicContact CE-CG 4.05Å; M439-F442 WeakPolarHBondContact O-CB 3.4Å; M439-F442 PolarHBondContact O-N 3.25Å; M439-F442 HydrophobicContact SD-CB 4.2Å; M439-F442 HydrophobicContact SD-CD1 4.34Å; M439-F442 HydrophobicContact SD-CG 4.31Å; V440-F442 VanDerWaalsContact C-N 3.34Å; F442-F444 VanDerWaalsContact C-N 3.27Å; F442-F444 PolarHBondContact O-N 3.01Å; F442-M445 HydrophobicContact CB-CE 4.45Å; F442-M445 HydrophobicContact CD2-CE 3.44Å; F442-M445 VanDerWaalsContact CD2-CE 3.44Å; F442-M445 HydrophobicContact CE2-CE 4.05Å; F442-M445 HydrophobicContact CG-CE 4.29Å; F442-M445 WeakPolarHBondContact O-CB 3.4Å; F442-M445 PolarHBondContact O-N 2.9Å; F442-M445 VanDerWaalsContact O-N 3.13Å; F442-K448 HydrophobicContact CE1-CD 3.84Å; F442-K448 HydrophobicContact CE1-CG 4.43Å; F442-K448 HydrophobicContact CE2-CB 4.13Å; F442-K448 HydrophobicContact CE2-CD 4.34Å; F442-K448 HydrophobicContact CE2-CG 4.06Å; F442-K448 HydrophobicContact CZ-CB 3.98Å; F442-K448 HydrophobicContact CZ-CD 3.66Å; F442-K448 HydrophobicContact CZ-CG 3.87Å; F442-K448 WeakPolarHBondContact O-CE 3.46Å; F442-F451 AromaticContact CD2-CD1 3.94Å; F442-F451 HydrophobicContact CD2-CD1 3.94Å; F442-F451 HydrophobicContact CD2-CD2 4.41Å; F442-F451 HydrophobicContact CD2-CE1 4.07Å; F442-F451 HydrophobicContact CD2-CG 4.12Å; F442-F451 HydrophobicContact CD2-CZ 4.36Å; F442-F451 HydrophobicContact CE2-CB 4.34Å; F442-F451 AromaticContact CE2-CD1 3.43Å; F442-F451 HydrophobicContact CE2-CD1 3.43Å; F442-F451 VanDerWaalsContact CE2-CD1 3.43Å; F442-F451 AromaticContact CE2-CE1 3.82Å; F442-F451 HydrophobicContact CE2-CE1 3.82Å; F442-F451 AromaticContact CE2-CG 3.88Å; F442-F451 HydrophobicContact CE2-CG 3.88Å; F442-F451 HydrophobicContact CZ-CD1 4.46Å; F442-L481 HydrophobicContact CD2-CD2 4.43Å; F442-L481 HydrophobicContact CE1-CD2 4.17Å; F442-L481 HydrophobicContact CE2-CD2 4.1Å; F442-L481 HydrophobicContact CZ-CD2 3.94Å; F442-E484 HydrophobicContact CD1-CB 4.43Å; F442-E484 HydrophobicContact CE1-CB 4.04Å; F442-C485 VanDerWaalsContact CE1-SG 3.56Å; F442-C485 VanDerWaalsContact CZ-SG 3.55Å; F442-F489 HydrophobicContact CZ-CZ 4.24Å
443	R	93.4	Very high	93.1	Very high	116 Å²	116	32.5 Å²	32.5	44%	0.438	15%	0.154	S	C	.	.	H	α-helix	trans	-60.6	-35.2	176.6	-80.9	-177	-105.2	138.9	-1.1	113.1	M439 V440 L441 M445 K448 E484	M439-R443 PolarHBondContact O-N 2.81Å; M439-R443 VanDerWaalsContact O-N 3.08Å; V440-R443 WeakPolarHBondContact O-CB 3.35Å; V440-R443 PolarHBondContact O-N 3.32Å; L441-R443 PolarHBondContact O-N 3.03Å; R443-M445 VanDerWaalsContact C-N 3.3Å; R443-M445 PolarHBondContact O-N 2.84Å; R443-K448 PolarHBondContact O-NZ 2.9Å; R443-E484 VanDerWaalsContact CD-OE1 3.26Å; R443-E484 WeakPolarHBondContact CD-OE1 3.45Å; R443-E484 VanDerWaalsContact CD-OE2 3.27Å; R443-E484 WeakPolarHBondContact CD-OE2 3.23Å; R443-E484 HydrophobicContact CG-CG 4.38Å; R443-E484 WeakPolarHBondContact CG-OE2 3.43Å; R443-E484 IonicContact CZ-OE1 3.06Å; R443-E484 IonicContact NE-OE1 3.81Å; R443-E484 PolarHBondContact NE-OE1 2.95Å; R443-E484 IonicContact NE-OE2 2.79Å
444	F	93.6	Very high	93.1	Very high	26 Å²	26	30.4 Å²	30.4	11%	0.114	14%	0.137	C	C	.	.	H	α-helix	trans	-78.6	-9.4	178.2	-57.8	-42.1	0	0	0	113.8	K372 A394 F397 E398 L401 N402 V440 L441 F442	K372-F444 HydrophobicContact CD-CE2 4.48Å; A394-F444 HydrophobicContact CB-CE1 3.86Å; A394-F444 HydrophobicContact CB-CZ 4.23Å; F397-F444 HydrophobicContact CB-CD2 3.62Å; F397-F444 HydrophobicContact CB-CE2 3.77Å; F397-F444 HydrophobicContact CB-CG 4.11Å; F397-F444 HydrophobicContact CB-CZ 4.38Å; F397-F444 HydrophobicContact CD1-CD2 4.41Å; F397-F444 HydrophobicContact CD1-CE2 4.46Å; F397-F444 HydrophobicContact CG-CD2 4.29Å; F397-F444 HydrophobicContact CG-CE2 4.17Å; E398-F444 HydrophobicContact CB-CB 4.38Å; L401-F444 HydrophobicContact CD2-CB 3.88Å; N402-F444 PolarHBondContact ND2-O 3.45Å; V440-F444 HydrophobicContact CG1-CE2 3.71Å; V440-F444 HydrophobicContact CG1-CZ 4.06Å; V440-F444 VanDerWaalsContact O-CD2 3.32Å; V440-F444 WeakPolarHBondContact O-CD2 3.41Å; L441-F444 HydrophobicContact CD2-CD2 4.48Å; L441-F444 PolarHBondContact O-N 2.86Å; F442-F444 VanDerWaalsContact C-N 3.27Å; F442-F444 PolarHBondContact O-N 3.01Å
445	M	92.8	Very high	93.3	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.015	13%	0.129	C	C	.	.			trans	-78.6	138.1	176.4	-65.7	-163.4	-55	0	0	112	L401 P408 L411 L441 F442 R443 K448 F451	L401-M445 HydrophobicContact CD2-CG 3.48Å; L401-M445 VanDerWaalsContact CD2-CG 3.48Å; L401-M445 HydrophobicContact CG-CG 4.12Å; P408-M445 HydrophobicContact CB-SD 4.32Å; P408-M445 HydrophobicContact CG-SD 4.23Å; L411-M445 HydrophobicContact CB-SD 4.48Å; L411-M445 HydrophobicContact CD2-CE 3.43Å; L411-M445 VanDerWaalsContact CD2-CE 3.43Å; L411-M445 HydrophobicContact CD2-SD 3.92Å; L441-M445 PolarHBondContact O-N 3.44Å; F442-M445 HydrophobicContact CB-CE 4.45Å; F442-M445 HydrophobicContact CD2-CE 3.44Å; F442-M445 VanDerWaalsContact CD2-CE 3.44Å; F442-M445 HydrophobicContact CE2-CE 4.05Å; F442-M445 HydrophobicContact CG-CE 4.29Å; F442-M445 WeakPolarHBondContact O-CB 3.4Å; F442-M445 PolarHBondContact O-N 2.9Å; F442-M445 VanDerWaalsContact O-N 3.13Å; R443-M445 VanDerWaalsContact C-N 3.3Å; R443-M445 PolarHBondContact O-N 2.84Å; M445-K448 PolarHBondContact O-NZ 3.26Å; M445-F451 HydrophobicContact CE-CB 3.87Å; M445-F451 HydrophobicContact CE-CD2 3.89Å; M445-F451 HydrophobicContact CE-CG 3.98Å
446	Q	91.3	Very high	93.3	Very high	71 Å²	71	30 Å²	30	33%	0.332	13%	0.134	S	C	.	.	S	Bend	trans	-86.7	-42.7	174	-70.3	176.5	5.1	0	0	111.8	E398 N402 K448 F757	E398-Q446 PolarHBondContact OE1-NE2 2.96Å; N402-Q446 PolarHBondContact OD1-N 3.07Å; Q446-K448 PolarHBondContact O-N 3.47Å; Q446-K448 VanDerWaalsContact O-N 3.17Å; Q446-F757 WeakPolarHBondContact O-CA 3.36Å
447	E	91.4	Very high	93.1	Very high	41 Å²	41	29.5 Å²	29.5	19%	0.192	13%	0.13	C	C	.	.			trans	-89.3	65.1	-178.3	-57.1	-158.6	105.2	0	0	112.6	P408 D449 V450 F451 R715 R722	P408-E447 HydrophobicContact CG-CB 4.38Å; E447-D449 VanDerWaalsContact C-N 3.3Å; E447-D449 PolarHBondContact O-N 3.43Å; E447-V450 HydrophobicContact CB-CB 4.21Å; E447-V450 HydrophobicContact CB-CG2 3.89Å; E447-V450 PolarHBondContact O-N 2.75Å; E447-F451 PolarHBondContact O-N 3.09Å; E447-R715 IonicContact OE1-CZ 3.2Å; E447-R715 IonicContact OE1-NH1 2.62Å; E447-R715 IonicContact OE1-NH2 3.48Å; E447-R715 PolarHBondContact OE1-NH2 3.4Å; E447-R715 IonicContact OE2-CZ 2.9Å; E447-R715 VanDerWaalsContact OE2-CZ 3.27Å; E447-R715 IonicContact OE2-NH1 3.01Å; E447-R715 PolarHBondContact OE2-NH1 3.02Å; E447-R715 IonicContact OE2-NH2 3.62Å; E447-R715 PolarHBondContact OE2-NH2 3.46Å; E447-R722 IonicContact OE1-CZ 2.76Å; E447-R722 IonicContact OE1-NH1 3.44Å; E447-R722 PolarHBondContact OE1-NH1 3.31Å; E447-R722 IonicContact OE1-NH2 2.82Å; E447-R722 PolarHBondContact OE1-NH2 3.43Å
448	K	94.1	Very high	92.9	Very high	24 Å²	24	25 Å²	25	10%	0.104	11%	0.11	C	C	.	.	H	α-helix	trans	-71	-24.7	-177.6	-61.7	-178.6	172.1	74.6	0	113.2	F442 R443 M445 Q446 F451 E452 F489 S755 R756	F442-K448 HydrophobicContact CE1-CD 3.84Å; F442-K448 HydrophobicContact CE1-CG 4.43Å; F442-K448 HydrophobicContact CE2-CB 4.13Å; F442-K448 HydrophobicContact CE2-CD 4.34Å; F442-K448 HydrophobicContact CE2-CG 4.06Å; F442-K448 HydrophobicContact CZ-CB 3.98Å; F442-K448 HydrophobicContact CZ-CD 3.66Å; F442-K448 HydrophobicContact CZ-CG 3.87Å; F442-K448 WeakPolarHBondContact O-CE 3.46Å; R443-K448 PolarHBondContact O-NZ 2.9Å; M445-K448 PolarHBondContact O-NZ 3.26Å; Q446-K448 PolarHBondContact O-N 3.47Å; Q446-K448 VanDerWaalsContact O-N 3.17Å; K448-F451 WeakPolarHBondContact O-CB 3.31Å; K448-F451 PolarHBondContact O-N 3.39Å; K448-E452 PolarHBondContact O-N 3.02Å; K448-F489 HydrophobicContact CB-CE2 4.46Å; K448-S755 WeakPolarHBondContact CD-O 3.49Å; K448-R756 WeakPolarHBondContact CA-O 3.46Å; K448-R756 WeakPolarHBondContact CB-O 3.49Å; K448-R756 PolarHBondContact N-O 3.32Å
449	D	92.3	Very high	92.8	Very high	11 Å²	11	25 Å²	25	6%	0.059	11%	0.11	C	C	.	.	H	α-helix	trans	-68.2	-35.9	173.6	60.3	-19.8	0	0	0	113.2	E447 F451 E452 R453 V718 R722 R756 F757	E447-D449 VanDerWaalsContact C-N 3.3Å; E447-D449 PolarHBondContact O-N 3.43Å; D449-F451 VanDerWaalsContact C-N 3.35Å; D449-E452 WeakPolarHBondContact O-CB 3.33Å; D449-E452 PolarHBondContact O-N 3.37Å; D449-R453 PolarHBondContact O-N 2.9Å; D449-R453 VanDerWaalsContact O-N 3.15Å; D449-V718 WeakPolarHBondContact OD2-CG1 3.5Å; D449-R722 IonicContact OD1-CZ 3.66Å; D449-R722 IonicContact OD1-NE 3.33Å; D449-R722 IonicContact OD1-NH2 3.11Å; D449-R722 PolarHBondContact OD1-NH2 3.01Å; D449-R722 WeakPolarHBondContact OD2-CG 3.19Å; D449-R722 IonicContact OD2-CZ 2.69Å; D449-R722 IonicContact OD2-NE 2.65Å; D449-R722 PolarHBondContact OD2-NE 3.23Å; D449-R722 IonicContact OD2-NH2 3.51Å; D449-R722 PolarHBondContact OD2-NH2 2.89Å; D449-R756 PolarHBondContact N-O 3.12Å; D449-F757 WeakPolarHBondContact OD2-CD1 3.48Å
450	V	93.6	Very high	92.5	Very high	4 Å²	4	25 Å²	25	2%	0.024	11%	0.111	C	C	.	.	H	α-helix	trans	-63.6	-44.5	171	-179.5	0	0	0	0	109.8	P408 E447 E452 R453 Y454 V718	P408-V450 HydrophobicContact CB-CB 4.14Å; P408-V450 HydrophobicContact CB-CG1 3.97Å; P408-V450 HydrophobicContact CG-CB 4.37Å; P408-V450 HydrophobicContact CG-CG1 4.33Å; E447-V450 HydrophobicContact CB-CB 4.21Å; E447-V450 HydrophobicContact CB-CG2 3.89Å; E447-V450 PolarHBondContact O-N 2.75Å; V450-E452 PolarHBondContact O-N 3.36Å; V450-R453 PolarHBondContact O-N 3.07Å; V450-Y454 HydrophobicContact CG1-CD2 3.94Å; V450-Y454 HydrophobicContact CG1-CE2 3.65Å; V450-Y454 VanDerWaalsContact O-CD2 3.25Å; V450-Y454 WeakPolarHBondContact O-CD2 3.49Å; V450-Y454 PolarHBondContact O-N 3.33Å; V450-V718 HydrophobicContact CG2-CG1 3.94Å
451	F	95.2	Very high	92.1	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	12%	0.121	C	C	.	.	H	α-helix	trans	-58.1	-47.5	173	171.6	-87.6	0	0	0	111.6	P408 L411 I415 F442 M445 E447 K448 D449 R453 Y454 Y455 L481	P408-F451 HydrophobicContact CB-CB 3.99Å; P408-F451 WeakPolarHBondContact O-CD2 3.47Å; L411-F451 HydrophobicContact CB-CD2 4.27Å; L411-F451 HydrophobicContact CB-CE2 4.22Å; L411-F451 HydrophobicContact CD2-CD2 4.22Å; L411-F451 HydrophobicContact CD2-CE2 4.04Å; L411-F451 HydrophobicContact CG-CD2 4.35Å; L411-F451 HydrophobicContact CG-CE2 3.94Å; I415-F451 HydrophobicContact CD1-CE2 3.91Å; I415-F451 HydrophobicContact CD1-CZ 3.81Å; F442-F451 AromaticContact CD2-CD1 3.94Å; F442-F451 HydrophobicContact CD2-CD1 3.94Å; F442-F451 HydrophobicContact CD2-CD2 4.41Å; F442-F451 HydrophobicContact CD2-CE1 4.07Å; F442-F451 HydrophobicContact CD2-CG 4.12Å; F442-F451 HydrophobicContact CD2-CZ 4.36Å; F442-F451 HydrophobicContact CE2-CB 4.34Å; F442-F451 AromaticContact CE2-CD1 3.43Å; F442-F451 HydrophobicContact CE2-CD1 3.43Å; F442-F451 VanDerWaalsContact CE2-CD1 3.43Å; F442-F451 AromaticContact CE2-CE1 3.82Å; F442-F451 HydrophobicContact CE2-CE1 3.82Å; F442-F451 AromaticContact CE2-CG 3.88Å; F442-F451 HydrophobicContact CE2-CG 3.88Å; F442-F451 HydrophobicContact CZ-CD1 4.46Å; M445-F451 HydrophobicContact CE-CB 3.87Å; M445-F451 HydrophobicContact CE-CD2 3.89Å; M445-F451 HydrophobicContact CE-CG 3.98Å; E447-F451 PolarHBondContact O-N 3.09Å; K448-F451 WeakPolarHBondContact O-CB 3.31Å; K448-F451 PolarHBondContact O-N 3.39Å; D449-F451 VanDerWaalsContact C-N 3.35Å; F451-R453 PolarHBondContact O-N 2.88Å; F451-Y454 PolarHBondContact O-N 3.16Å; F451-Y455 HydrophobicContact CE1-CD2 4.15Å; F451-Y455 HydrophobicContact CE1-CG 4.02Å; F451-Y455 AromaticContact CZ-CD2 3.76Å; F451-Y455 HydrophobicContact CZ-CD2 3.76Å; F451-Y455 HydrophobicContact CZ-CG 4.1Å; F451-Y455 VanDerWaalsContact O-CB 3.27Å; F451-Y455 WeakPolarHBondContact O-CB 3.4Å; F451-Y455 PolarHBondContact O-N 3.22Å; F451-L481 HydrophobicContact CE1-CD1 4.34Å; F451-L481 HydrophobicContact CE1-CD2 3.78Å; F451-L481 HydrophobicContact CZ-CD2 4.44Å
452	E	93.5	Very high	91.7	Very high	14 Å²	14	28.6 Å²	28.6	7%	0.065	12%	0.121	C	C	.	.	H	α-helix	trans	-51.3	-46.1	179.3	-166.7	-165.1	144.5	0	0	111	K448 D449 V450 Y455 K456 F489 R756	K448-E452 PolarHBondContact O-N 3.02Å; D449-E452 WeakPolarHBondContact O-CB 3.33Å; D449-E452 PolarHBondContact O-N 3.37Å; V450-E452 PolarHBondContact O-N 3.36Å; E452-Y455 PolarHBondContact O-N 3.29Å; E452-K456 WeakPolarHBondContact O-CB 3.48Å; E452-K456 PolarHBondContact O-N 3.48Å; E452-F489 HydrophobicContact CB-CE1 4.31Å; E452-F489 HydrophobicContact CB-CE2 3.61Å; E452-F489 HydrophobicContact CB-CZ 3.49Å; E452-F489 VanDerWaalsContact CB-CZ 3.49Å; E452-F489 HydrophobicContact CG-CD2 4.25Å; E452-F489 HydrophobicContact CG-CE1 4.05Å; E452-F489 HydrophobicContact CG-CE2 3.77Å; E452-F489 HydrophobicContact CG-CZ 3.66Å; E452-F489 WeakPolarHBondContact OE2-CD2 3.44Å; E452-F489 WeakPolarHBondContact OE2-CE2 3.43Å; E452-R756 IonicContact OE2-CZ 2.88Å; E452-R756 IonicContact OE2-NE 2.92Å; E452-R756 IonicContact OE2-NH2 3.97Å; E452-R756 PolarHBondContact OE2-NH2 2.85Å
453	R	91.3	Very high	91.3	Very high	68 Å²	68	29.4 Å²	29.4	26%	0.257	13%	0.125	S	C	.	.	H	α-helix	trans	-64.1	-49	-178.3	-172.3	170	-173.1	108	12.7	112.6	D449 V450 F451 K456 Q457 T714 K717 V718 D721	D449-R453 PolarHBondContact O-N 2.9Å; D449-R453 VanDerWaalsContact O-N 3.15Å; V450-R453 PolarHBondContact O-N 3.07Å; F451-R453 PolarHBondContact O-N 2.88Å; R453-K456 PolarHBondContact O-N 3.35Å; R453-Q457 PolarHBondContact O-N 2.89Å; R453-Q457 VanDerWaalsContact O-N 3.15Å; R453-T714 HydrophobicContact CG-CG2 4.12Å; R453-K717 VanDerWaalsContact NH1-CB 3.32Å; R453-V718 HydrophobicContact CB-CG2 4.25Å; R453-V718 HydrophobicContact CG-CG2 4.42Å; R453-D721 IonicContact NH1-OD2 2.67Å; R453-D721 PolarHBondContact NH1-OD2 3.25Å
454	Y	91.9	Very high	90.8	Very high	13 Å²	13	25.3 Å²	25.3	5%	0.051	11%	0.112	C	C	.	.	H	α-helix	trans	-63.6	-45.3	176.1	-75.2	-62.8	0	0	0	111.5	E409 S412 V450 F451 K456 Q457 H458 E706 T714	E409-Y454 HydrophobicContact CB-CD2 3.88Å; E409-Y454 HydrophobicContact CB-CE1 4.45Å; E409-Y454 HydrophobicContact CB-CE2 3.76Å; E409-Y454 HydrophobicContact CB-CG 4.29Å; E409-Y454 HydrophobicContact CG-CD1 4.11Å; E409-Y454 HydrophobicContact CG-CD2 4.33Å; E409-Y454 HydrophobicContact CG-CE1 3.99Å; E409-Y454 HydrophobicContact CG-CE2 4.22Å; E409-Y454 HydrophobicContact CG-CG 4.29Å; S412-Y454 VanDerWaalsContact OG-C 3.32Å; V450-Y454 HydrophobicContact CG1-CD2 3.94Å; V450-Y454 HydrophobicContact CG1-CE2 3.65Å; V450-Y454 VanDerWaalsContact O-CD2 3.25Å; V450-Y454 WeakPolarHBondContact O-CD2 3.49Å; V450-Y454 PolarHBondContact O-N 3.33Å; F451-Y454 PolarHBondContact O-N 3.16Å; Y454-K456 VanDerWaalsContact C-N 3.32Å; Y454-K456 PolarHBondContact O-N 3.33Å; Y454-Q457 WeakPolarHBondContact O-CB 3.45Å; Y454-Q457 PolarHBondContact O-N 2.93Å; Y454-H458 VanDerWaalsContact O-CG 3.22Å; Y454-H458 PolarHBondContact O-N 2.67Å; Y454-H458 PolarHBondContact O-ND1 3.36Å; Y454-E706 HydrophobicContact CE1-CG 4.32Å; Y454-E706 WeakPolarHBondContact CE1-OE2 3.46Å; Y454-T714 HydrophobicContact CE1-CG2 3.95Å; Y454-T714 HydrophobicContact CE2-CG2 4.39Å
455	Y	94.1	Very high	90.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.7	-43.2	178.8	-174.3	-93.2	0	0	0	111.6	S412 I415 F451 E452 Q457 H458 L459 M477 L481 L493	S412-Y455 WeakPolarHBondContact OG-CA 3.37Å; S412-Y455 PolarHBondContact OG-N 3.39Å; I415-Y455 HydrophobicContact CG2-CE2 3.81Å; F451-Y455 HydrophobicContact CE1-CD2 4.15Å; F451-Y455 HydrophobicContact CE1-CG 4.02Å; F451-Y455 AromaticContact CZ-CD2 3.76Å; F451-Y455 HydrophobicContact CZ-CD2 3.76Å; F451-Y455 HydrophobicContact CZ-CG 4.1Å; F451-Y455 VanDerWaalsContact O-CB 3.27Å; F451-Y455 WeakPolarHBondContact O-CB 3.4Å; F451-Y455 PolarHBondContact O-N 3.22Å; E452-Y455 PolarHBondContact O-N 3.29Å; Y455-Q457 PolarHBondContact O-N 2.99Å; Y455-H458 PolarHBondContact O-N 3.35Å; Y455-L459 HydrophobicContact CE1-CB 4.44Å; Y455-L459 HydrophobicContact CE1-CD2 4.34Å; Y455-L459 WeakPolarHBondContact O-CB 3.28Å; Y455-L459 PolarHBondContact O-N 3.21Å; Y455-M477 HydrophobicContact CE2-CG 4.27Å; Y455-M477 VanDerWaalsContact OH-CG 3.29Å; Y455-M477 WeakPolarHBondContact OH-CG 3.48Å; Y455-L481 HydrophobicContact CD1-CD1 4.14Å; Y455-L481 HydrophobicContact CE1-CD1 3.9Å; Y455-L493 HydrophobicContact CD1-CD1 3.94Å; Y455-L493 HydrophobicContact CD1-CD2 4.26Å; Y455-L493 HydrophobicContact CE1-CD1 4.01Å
456	K	91.9	Very high	89.3	Confident	28 Å²	28	31.9 Å²	31.9	12%	0.122	15%	0.151	C	C	.	.	H	α-helix	trans	-59.3	-43.8	175.7	-176.3	-177.5	-177.5	-177.2	0	112.4	E452 R453 Y454 A460 L493 M496 Y535	E452-K456 WeakPolarHBondContact O-CB 3.48Å; E452-K456 PolarHBondContact O-N 3.48Å; R453-K456 PolarHBondContact O-N 3.35Å; Y454-K456 VanDerWaalsContact C-N 3.32Å; Y454-K456 PolarHBondContact O-N 3.33Å; K456-A460 WeakPolarHBondContact O-CB 3.43Å; K456-A460 PolarHBondContact O-N 3.1Å; K456-L493 HydrophobicContact CB-CD2 3.89Å; K456-L493 HydrophobicContact CG-CD2 4.03Å; K456-M496 HydrophobicContact CG-SD 3.99Å; K456-Y535 WeakPolarHBondContact CE-O 3.48Å; K456-Y535 PolarHBondContact NZ-O 3.46Å
457	Q	88.6	Confident	88.6	Confident	60 Å²	60	33.6 Å²	33.6	28%	0.28	16%	0.157	S	C	.	.	H	α-helix	trans	-64.2	-42.4	176.7	-170.1	-178.6	13	0	0	112	R453 Y454 Y455 A460 R461 E706	R453-Q457 PolarHBondContact O-N 2.89Å; R453-Q457 VanDerWaalsContact O-N 3.15Å; Y454-Q457 WeakPolarHBondContact O-CB 3.45Å; Y454-Q457 PolarHBondContact O-N 2.93Å; Y455-Q457 PolarHBondContact O-N 2.99Å; Q457-A460 PolarHBondContact O-N 3.39Å; Q457-R461 PolarHBondContact O-N 3.01Å; Q457-R461 VanDerWaalsContact O-N 3.12Å; Q457-E706 PolarHBondContact NE2-OE1 2.66Å; Q457-E706 PolarHBondContact OE1-OE1 3.47Å
458	H	89.8	Confident	88	Confident	6 Å²	6	31.9 Å²	31.9	3%	0.028	15%	0.15	C	C	.	.	H	α-helix	trans	-67.2	-46.2	177.8	-64.2	166.7	0	0	0	111.8	S412 L413 D416 Y454 Y455 A460 R461 R462	S412-H458 PolarHBondContact OG-ND1 3.39Å; L413-H458 WeakPolarHBondContact CD2-CE1 3.47Å; D416-H458 HydrophobicContact CB-CB 4.01Å; Y454-H458 VanDerWaalsContact O-CG 3.22Å; Y454-H458 PolarHBondContact O-N 2.67Å; Y454-H458 PolarHBondContact O-ND1 3.36Å; Y455-H458 PolarHBondContact O-N 3.35Å; H458-A460 VanDerWaalsContact C-N 3.35Å; H458-A460 PolarHBondContact O-N 3.12Å; H458-R461 PolarHBondContact CD2-NH2 2.9Å; H458-R461 WeakPolarHBondContact O-CB 3.47Å; H458-R461 PolarHBondContact O-N 2.68Å; H458-R462 WeakPolarHBondContact O-CG 3.5Å; H458-R462 PolarHBondContact O-N 2.8Å
459	L	91.5	Very high	87.1	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.2	-46.4	174.8	179.2	64.2	0	0	0	111.2	Y455 R461 R462 L463 E474 I478 L493 M496 F497	Y455-L459 HydrophobicContact CE1-CB 4.44Å; Y455-L459 HydrophobicContact CE1-CD2 4.34Å; Y455-L459 WeakPolarHBondContact O-CB 3.28Å; Y455-L459 PolarHBondContact O-N 3.21Å; L459-R461 VanDerWaalsContact C-N 3.3Å; L459-R461 PolarHBondContact O-N 3.17Å; L459-R462 PolarHBondContact O-N 2.96Å; L459-R462 VanDerWaalsContact O-N 3.13Å; L459-L463 HydrophobicContact CD1-CD1 4.1Å; L459-L463 HydrophobicContact CD1-CD2 4.5Å; L459-L463 HydrophobicContact CD1-CG 4.02Å; L459-L463 HydrophobicContact CG-CD1 3.95Å; L459-L463 HydrophobicContact CG-CG 4.28Å; L459-L463 WeakPolarHBondContact O-CG 3.26Å; L459-L463 PolarHBondContact O-N 3.48Å; L459-E474 WeakPolarHBondContact CD1-OE2 3.43Å; L459-I478 HydrophobicContact CD2-CD1 4.17Å; L459-L493 HydrophobicContact CD2-CB 4.17Å; L459-L493 HydrophobicContact CD2-CD2 3.92Å; L459-M496 HydrophobicContact CB-CE 4.3Å; L459-M496 HydrophobicContact CD2-CE 4.09Å; L459-M496 HydrophobicContact CD2-SD 4.39Å; L459-M496 HydrophobicContact CG-CE 4Å; L459-F497 HydrophobicContact CD1-CE2 3.99Å; L459-F497 HydrophobicContact CD1-CZ 4.27Å; L459-F497 HydrophobicContact CD2-CE2 4.23Å
460	A	89	Confident	86.6	Confident	5 Å²	5	34.5 Å²	34.5	4%	0.041	17%	0.169	C	C	.	.	H	α-helix	trans	-56.8	-45.9	178.1	0	0	0	0	0	111.6	K456 Q457 H458 L463 L464 M496 W536 P537	K456-A460 WeakPolarHBondContact O-CB 3.43Å; K456-A460 PolarHBondContact O-N 3.1Å; Q457-A460 PolarHBondContact O-N 3.39Å; H458-A460 VanDerWaalsContact C-N 3.35Å; H458-A460 PolarHBondContact O-N 3.12Å; A460-L463 PolarHBondContact O-N 3.34Å; A460-L464 WeakPolarHBondContact O-CB 3.25Å; A460-L464 WeakPolarHBondContact O-CD1 3.33Å; A460-L464 WeakPolarHBondContact O-CG 3.27Å; A460-L464 PolarHBondContact O-N 3.4Å; A460-M496 VanDerWaalsContact CA-CE 3.45Å; A460-M496 HydrophobicContact CB-CE 3.58Å; A460-W536 HydrophobicContact CB-CE3 3.81Å; A460-W536 HydrophobicContact CB-CZ3 3.89Å; A460-P537 HydrophobicContact CB-CG 3.54Å
461	R	84.4	Confident	86.2	Confident	105 Å²	105	38.5 Å²	38.5	40%	0.396	19%	0.191	S	C	.	.	H	α-helix	trans	-61.8	-43.8	176.5	-178.2	174.9	61.8	-137.3	1.3	111.8	D416 Q457 H458 L459 T465	D416-R461 IonicContact OD2-NH2 3.9Å; D416-R461 PolarHBondContact OD2-NH2 2.84Å; Q457-R461 PolarHBondContact O-N 3.01Å; Q457-R461 VanDerWaalsContact O-N 3.12Å; H458-R461 PolarHBondContact CD2-NH2 2.9Å; H458-R461 WeakPolarHBondContact O-CB 3.47Å; H458-R461 PolarHBondContact O-N 2.68Å; L459-R461 VanDerWaalsContact C-N 3.3Å; L459-R461 PolarHBondContact O-N 3.17Å; R461-T465 WeakPolarHBondContact O-CB 3.48Å; R461-T465 WeakPolarHBondContact O-CG2 3.46Å; R461-T465 PolarHBondContact O-N 3.33Å; R461-T465 VanDerWaalsContact O-N 3.11Å; R461-T465 PolarHBondContact O-OG1 3.22Å
462	R	87.4	Confident	85.9	Confident	3 Å²	3	43.8 Å²	43.8	1%	0.011	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-45.2	179.4	-68.8	-166.2	-56.3	-86	4.5	112.1	D416 H458 L459 N466 K467 S468 E474	D416-R462 VanDerWaalsContact OD1-CD 3.24Å; D416-R462 WeakPolarHBondContact OD1-CD 3.5Å; D416-R462 WeakPolarHBondContact OD1-CG 3.49Å; D416-R462 IonicContact OD1-CZ 3.32Å; D416-R462 IonicContact OD1-NE 3.44Å; D416-R462 IonicContact OD1-NH1 3.46Å; D416-R462 PolarHBondContact OD1-NH1 2.95Å; H458-R462 WeakPolarHBondContact O-CG 3.5Å; H458-R462 PolarHBondContact O-N 2.8Å; L459-R462 PolarHBondContact O-N 2.96Å; L459-R462 VanDerWaalsContact O-N 3.13Å; R462-N466 PolarHBondContact O-N 3.04Å; R462-K467 PolarHBondContact O-N 3.34Å; R462-S468 WeakPolarHBondContact CB-OG 3.18Å; R462-E474 IonicContact CZ-OE1 3.55Å; R462-E474 IonicContact CZ-OE2 3.01Å; R462-E474 IonicContact NE-OE1 2.84Å; R462-E474 PolarHBondContact NE-OE1 2.84Å; R462-E474 IonicContact NE-OE2 3.86Å; R462-E474 IonicContact NH2-OE1 3.27Å; R462-E474 PolarHBondContact NH2-OE1 3.01Å; R462-E474 IonicContact NH2-OE2 2.69Å; R462-E474 PolarHBondContact NH2-OE2 3.5Å
463	L	87.1	Confident	85.6	Confident	18 Å²	18	44.1 Å²	44.1	9%	0.094	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-48.6	178.3	-70.6	177.5	0	0	0	112	L459 A460 T465 N466 M496 F497 M500 W536	L459-L463 HydrophobicContact CD1-CD1 4.1Å; L459-L463 HydrophobicContact CD1-CD2 4.5Å; L459-L463 HydrophobicContact CD1-CG 4.02Å; L459-L463 HydrophobicContact CG-CD1 3.95Å; L459-L463 HydrophobicContact CG-CG 4.28Å; L459-L463 WeakPolarHBondContact O-CG 3.26Å; L459-L463 PolarHBondContact O-N 3.48Å; A460-L463 PolarHBondContact O-N 3.34Å; L463-T465 PolarHBondContact O-N 3.31Å; L463-N466 PolarHBondContact O-N 2.85Å; L463-M496 HydrophobicContact CD1-CB 4.13Å; L463-M496 HydrophobicContact CD1-CE 4.16Å; L463-F497 HydrophobicContact CD1-CE2 4.33Å; L463-F497 HydrophobicContact CD1-CZ 4.46Å; L463-F497 HydrophobicContact CD2-CD1 4.36Å; L463-F497 HydrophobicContact CD2-CE1 3.69Å; L463-F497 HydrophobicContact CD2-CE2 4.35Å; L463-F497 HydrophobicContact CD2-CZ 3.67Å; L463-M500 HydrophobicContact CB-CG 4.38Å; L463-M500 HydrophobicContact CB-SD 4.49Å; L463-M500 HydrophobicContact CD1-CG 4.33Å; L463-W536 HydrophobicContact CB-CH2 4.17Å; L463-W536 HydrophobicContact CD1-CH2 3.94Å
464	L	83	Confident	85.6	Confident	30 Å²	30	40.9 Å²	40.9	16%	0.157	21%	0.21	C	C	.	.	H	α-helix	trans	-71.7	-30.3	-175.6	-66.1	169.1	0	0	0	113.4	A460 M500 R529 L531 W536 M577	A460-L464 WeakPolarHBondContact O-CB 3.25Å; A460-L464 WeakPolarHBondContact O-CD1 3.33Å; A460-L464 WeakPolarHBondContact O-CG 3.27Å; A460-L464 PolarHBondContact O-N 3.4Å; L464-M500 HydrophobicContact CD2-CE 4.24Å; L464-R529 PolarHBondContact O-NH1 3.45Å; L464-L531 HydrophobicContact CD2-CD1 3.97Å; L464-L531 HydrophobicContact CD2-CD2 4.29Å; L464-W536 HydrophobicContact CD1-CE3 4.23Å; L464-W536 HydrophobicContact CD1-CZ3 3.9Å; L464-W536 HydrophobicContact CD2-CH2 4.23Å; L464-W536 HydrophobicContact CD2-CZ3 3.98Å; L464-W536 HydrophobicContact CG-CH2 4.33Å; L464-W536 HydrophobicContact CG-CZ3 3.73Å; L464-M577 HydrophobicContact CD1-CE 3.12Å
465	T	77.6	Confident	85.6	Confident	71 Å²	71	45.6 Å²	45.6	44%	0.436	23%	0.231	S	C	.	.	H	α-helix	trans	-90.5	-0.3	176.8	63	0	0	0	0	113.4	R461 L463 K467	R461-T465 WeakPolarHBondContact O-CB 3.48Å; R461-T465 WeakPolarHBondContact O-CG2 3.46Å; R461-T465 PolarHBondContact O-N 3.33Å; R461-T465 VanDerWaalsContact O-N 3.11Å; R461-T465 PolarHBondContact O-OG1 3.22Å; L463-T465 PolarHBondContact O-N 3.31Å; T465-K467 VanDerWaalsContact C-N 3.26Å; T465-K467 PolarHBondContact O-N 3.43Å; T465-K467 WeakPolarHBondContact OG1-CD 3.34Å; T465-K467 WeakPolarHBondContact OG1-CG 3.44Å
466	N	76.1	Confident	85.5	Confident	97 Å²	97	48 Å²	48	52%	0.519	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	44.3	-176.1	-164.5	-2.6	0	0	0	113	K421 R462 L463	K421-N466 WeakPolarHBondContact CE-O 3.45Å; K421-N466 PolarHBondContact NZ-O 3.21Å; K421-N466 PolarHBondContact NZ-OD1 3.06Å; R462-N466 PolarHBondContact O-N 3.04Å; L463-N466 PolarHBondContact O-N 2.85Å
467	K	76	Confident	85.6	Confident	106 Å²	106	46.6 Å²	46.6	46%	0.461	24%	0.238	S	C	.	.			trans	-106.8	9.1	-177	-73.1	-172.5	-179	-177.7	0	113.9	K420 K421 R462 T465	K420-K467 CarbonylContact C-O 3.57Å; K420-K467 WeakPolarHBondContact CA-O 3.28Å; K421-K467 PolarHBondContact N-O 2.84Å; R462-K467 PolarHBondContact O-N 3.34Å; T465-K467 VanDerWaalsContact C-N 3.26Å; T465-K467 PolarHBondContact O-N 3.43Å; T465-K467 WeakPolarHBondContact OG1-CD 3.34Å; T465-K467 WeakPolarHBondContact OG1-CG 3.44Å
468	S	78.8	Confident	85.9	Confident	5 Å²	5	44.1 Å²	44.1	4%	0.035	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-74.3	136.7	176	-64.8	0	0	0	0	112	L419 K421 R462 S470 E474	L419-S468 WeakPolarHBondContact O-CA 3.33Å; K421-S468 WeakPolarHBondContact CE-O 3.41Å; K421-S468 WeakPolarHBondContact CG-O 3.49Å; R462-S468 WeakPolarHBondContact CB-OG 3.18Å; S468-S470 PolarHBondContact O-N 3.49Å; S468-E474 VanDerWaalsContact CB-OE1 3.31Å; S468-E474 WeakPolarHBondContact CB-OE1 3.41Å; S468-E474 PolarHBondContact OG-OE1 3.43Å
469	V	75.4	Confident	86.1	Confident	67 Å²	67	46.8 Å²	46.8	41%	0.406	25%	0.246	S	C	.	.	S	Bend	trans	-56.4	-50.9	178.2	173.3	0	0	0	0	111.2	L419 K420	L419-V469 WeakPolarHBondContact O-CG2 3.34Å; L419-V469 PolarHBondContact O-N 3.42Å; K420-V469 WeakPolarHBondContact O-CG2 3.25Å
470	S	83.1	Confident	86.3	Confident	24 Å²	24	48.4 Å²	48.4	17%	0.168	25%	0.253	C	S	.	.			trans	-153.1	137	-178.5	170.1	0	0	0	0	109.6	S468 D472 S473 E474	S468-S470 PolarHBondContact O-N 3.49Å; S470-D472 PolarHBondContact O-N 2.87Å; S470-D472 PolarHBondContact OG-N 3.29Å; S470-S473 PolarHBondContact O-N 2.95Å; S470-E474 WeakPolarHBondContact O-CG 3.41Å; S470-E474 PolarHBondContact O-N 3.38Å
471	D	85	Confident	86.6	Confident	88 Å²	88	48.1 Å²	48.1	47%	0.471	25%	0.251	S	S	.	.	H	α-helix	trans	-63.7	-30.5	175.2	-75.9	1.1	0	0	0	111.5	E474 K475	D471-E474 PolarHBondContact O-N 3.45Å; D471-K475 WeakPolarHBondContact O-CG 3.49Å; D471-K475 PolarHBondContact O-N 3.5Å
472	D	88.1	Confident	87	Confident	112 Å²	112	46.8 Å²	46.8	60%	0.599	25%	0.248	S	C	*	.	H	α-helix	trans	-73.1	-38.8	179.5	-65.7	-31.5	0	0	0	111.5	S470 E474 K475 N476	S470-D472 PolarHBondContact O-N 2.87Å; S470-D472 PolarHBondContact OG-N 3.29Å; D472-E474 VanDerWaalsContact C-N 3.33Å; D472-E474 PolarHBondContact O-N 3.17Å; D472-K475 PolarHBondContact O-N 2.86Å; D472-N476 WeakPolarHBondContact O-CB 3.38Å; D472-N476 PolarHBondContact O-N 2.94Å
473	S	88.4	Confident	87.2	Confident	20 Å²	20	52 Å²	52	14%	0.14	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-40	172.8	-65.3	0	0	0	0	112	S470 N476 M477	S470-S473 PolarHBondContact O-N 2.95Å; S473-N476 PolarHBondContact O-N 2.75Å; S473-M477 PolarHBondContact O-N 3.34Å
474	E	90.9	Very high	87.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.8	-44.1	176.7	-63.7	-89.3	-159.2	0	0	111.5	L459 R462 S468 S470 D471 D472 N476 M477 I478 F497	L459-E474 WeakPolarHBondContact CD1-OE2 3.43Å; R462-E474 IonicContact CZ-OE1 3.55Å; R462-E474 IonicContact CZ-OE2 3.01Å; R462-E474 IonicContact NE-OE1 2.84Å; R462-E474 PolarHBondContact NE-OE1 2.84Å; R462-E474 IonicContact NE-OE2 3.86Å; R462-E474 IonicContact NH2-OE1 3.27Å; R462-E474 PolarHBondContact NH2-OE1 3.01Å; R462-E474 IonicContact NH2-OE2 2.69Å; R462-E474 PolarHBondContact NH2-OE2 3.5Å; S468-E474 VanDerWaalsContact CB-OE1 3.31Å; S468-E474 WeakPolarHBondContact CB-OE1 3.41Å; S468-E474 PolarHBondContact OG-OE1 3.43Å; S470-E474 WeakPolarHBondContact O-CG 3.41Å; S470-E474 PolarHBondContact O-N 3.38Å; D471-E474 PolarHBondContact O-N 3.45Å; D472-E474 VanDerWaalsContact C-N 3.33Å; D472-E474 PolarHBondContact O-N 3.17Å; E474-N476 VanDerWaalsContact C-N 3.35Å; E474-N476 PolarHBondContact O-N 3.16Å; E474-M477 PolarHBondContact O-N 3.49Å; E474-I478 WeakPolarHBondContact O-CG1 3.16Å; E474-I478 PolarHBondContact O-N 3.01Å; E474-F497 HydrophobicContact CB-CE1 4.43Å; E474-F497 HydrophobicContact CB-CE2 4.22Å; E474-F497 HydrophobicContact CB-CZ 3.53Å; E474-F497 HydrophobicContact CG-CZ 4.29Å
475	K	91.7	Very high	87.6	Confident	113 Å²	113	54 Å²	54	49%	0.491	29%	0.29	S	S	.	.	H	α-helix	trans	-62.9	-40	175	-73.4	171.7	-171.7	164.8	0	112.1	D471 D472 I478 S479	D471-K475 WeakPolarHBondContact O-CG 3.49Å; D471-K475 PolarHBondContact O-N 3.5Å; D472-K475 PolarHBondContact O-N 2.86Å; K475-I478 PolarHBondContact O-N 2.9Å; K475-S479 PolarHBondContact O-N 3.18Å
476	N	92.3	Very high	88.1	Confident	49 Å²	49	52.2 Å²	52.2	26%	0.262	29%	0.285	S	S	.	.	H	α-helix	trans	-61.3	-46.1	175.3	-172.8	6	0	0	0	110.6	E432 D472 S473 E474 I478 S479 K480	E432-N476 PolarHBondContact OE1-ND2 3.49Å; D472-N476 WeakPolarHBondContact O-CB 3.38Å; D472-N476 PolarHBondContact O-N 2.94Å; S473-N476 PolarHBondContact O-N 2.75Å; E474-N476 VanDerWaalsContact C-N 3.35Å; E474-N476 PolarHBondContact O-N 3.16Å; N476-I478 VanDerWaalsContact C-N 3.33Å; N476-I478 PolarHBondContact O-N 2.78Å; N476-S479 WeakPolarHBondContact O-CA 3.24Å; N476-S479 VanDerWaalsContact O-CB 3.28Å; N476-S479 WeakPolarHBondContact O-CB 3.45Å; N476-S479 PolarHBondContact O-N 3.27Å; N476-K480 WeakPolarHBondContact O-CG 3.2Å; N476-K480 PolarHBondContact O-N 3.44Å; N476-K480 VanDerWaalsContact OD1-CE 3.27Å; N476-K480 WeakPolarHBondContact OD1-CE 3.34Å
477	M	94.2	Very high	88.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-43.2	175.6	-173.5	62.8	-156.6	0	0	112.4	I415 L419 L435 M439 Y455 S473 E474 S479 K480 L481	I415-M477 HydrophobicContact CD1-CE 3.73Å; I415-M477 HydrophobicContact CG2-CE 4.38Å; I415-M477 HydrophobicContact CG2-CG 4.36Å; I415-M477 HydrophobicContact CG2-SD 4.37Å; L419-M477 HydrophobicContact CD1-CB 4.49Å; L419-M477 HydrophobicContact CD1-CG 4.44Å; L435-M477 HydrophobicContact CB-SD 4.27Å; L435-M477 HydrophobicContact CD1-SD 4.27Å; L435-M477 HydrophobicContact CD2-SD 3.96Å; L435-M477 HydrophobicContact CG-SD 4.38Å; M439-M477 HydrophobicContact CG-CE 4.23Å; M439-M477 HydrophobicContact SD-CE 3.39Å; M439-M477 WeakPolarHBondContact SD-CE 3.37Å; M439-M477 HydrophobicContact SD-SD 4.44Å; Y455-M477 HydrophobicContact CE2-CG 4.27Å; Y455-M477 VanDerWaalsContact OH-CG 3.29Å; Y455-M477 WeakPolarHBondContact OH-CG 3.48Å; S473-M477 PolarHBondContact O-N 3.34Å; E474-M477 PolarHBondContact O-N 3.49Å; M477-S479 VanDerWaalsContact C-N 3.33Å; M477-S479 PolarHBondContact O-N 3.35Å; M477-K480 PolarHBondContact O-N 3.08Å; M477-L481 HydrophobicContact CE-CD1 4.35Å; M477-L481 HydrophobicContact CE-CD2 4.14Å; M477-L481 HydrophobicContact CE-CG 4.06Å; M477-L481 WeakPolarHBondContact O-CG 3.26Å; M477-L481 PolarHBondContact O-N 3.41Å
478	I	94.1	Very high	89.3	Confident	7 Å²	7	53.4 Å²	53.4	4%	0.036	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-40	174.6	-67.3	172.2	0	0	0	111	L459 E474 K475 N476 K480 L481 K482 T490 L493 E494 F497	L459-I478 HydrophobicContact CD2-CD1 4.17Å; E474-I478 WeakPolarHBondContact O-CG1 3.16Å; E474-I478 PolarHBondContact O-N 3.01Å; K475-I478 PolarHBondContact O-N 2.9Å; N476-I478 VanDerWaalsContact C-N 3.33Å; N476-I478 PolarHBondContact O-N 2.78Å; I478-K480 VanDerWaalsContact C-N 3.35Å; I478-K480 PolarHBondContact O-N 2.93Å; I478-L481 PolarHBondContact O-N 2.87Å; I478-K482 WeakPolarHBondContact O-CB 3.48Å; I478-K482 PolarHBondContact O-N 3.2Å; I478-T490 HydrophobicContact CG2-CG2 4.04Å; I478-L493 HydrophobicContact CD1-CB 3.97Å; I478-L493 HydrophobicContact CG1-CB 4.34Å; I478-E494 HydrophobicContact CG2-CG 3.88Å; I478-F497 HydrophobicContact CD1-CD2 3.7Å; I478-F497 HydrophobicContact CD1-CE2 3.48Å; I478-F497 VanDerWaalsContact CD1-CE2 3.48Å
479	S	94.6	Very high	89.7	Confident	63 Å²	63	53.3 Å²	53.3	44%	0.441	30%	0.296	S	S	.	.	H	α-helix	trans	-59.7	-44	175.2	-169.1	0	0	0	0	111.7	K475 N476 M477 L481 K482 T483	K475-S479 PolarHBondContact O-N 3.18Å; N476-S479 WeakPolarHBondContact O-CA 3.24Å; N476-S479 VanDerWaalsContact O-CB 3.28Å; N476-S479 WeakPolarHBondContact O-CB 3.45Å; N476-S479 PolarHBondContact O-N 3.27Å; M477-S479 VanDerWaalsContact C-N 3.33Å; M477-S479 PolarHBondContact O-N 3.35Å; S479-L481 PolarHBondContact O-N 3.37Å; S479-K482 WeakPolarHBondContact O-CB 3.45Å; S479-K482 PolarHBondContact O-N 2.94Å; S479-K482 VanDerWaalsContact O-N 3.16Å; S479-T483 PolarHBondContact O-N 3.13Å; S479-T483 PolarHBondContact O-OG1 3.18Å
480	K	94.8	Very high	90.6	Very high	33 Å²	33	50.1 Å²	50.1	14%	0.143	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-43.2	175.2	-63.9	178.2	-161.3	-76.9	0	111.5	E432 D436 M439 N476 M477 I478 K482 T483 E484	E432-K480 IonicContact OE1-NZ 2.86Å; E432-K480 PolarHBondContact OE1-NZ 3.04Å; D436-K480 WeakPolarHBondContact OD1-CD 3.42Å; D436-K480 VanDerWaalsContact OD1-CE 3.3Å; D436-K480 WeakPolarHBondContact OD1-CE 3.37Å; D436-K480 IonicContact OD1-NZ 3.1Å; D436-K480 PolarHBondContact OD1-NZ 3.41Å; D436-K480 IonicContact OD2-NZ 2.8Å; M439-K480 HydrophobicContact CE-CB 4.42Å; M439-K480 HydrophobicContact CG-CB 4.15Å; M439-K480 HydrophobicContact CG-CD 4.36Å; M439-K480 HydrophobicContact SD-CB 4.46Å; N476-K480 WeakPolarHBondContact O-CG 3.2Å; N476-K480 PolarHBondContact O-N 3.44Å; N476-K480 VanDerWaalsContact OD1-CE 3.27Å; N476-K480 WeakPolarHBondContact OD1-CE 3.34Å; M477-K480 PolarHBondContact O-N 3.08Å; I478-K480 VanDerWaalsContact C-N 3.35Å; I478-K480 PolarHBondContact O-N 2.93Å; K480-K482 VanDerWaalsContact C-N 3.32Å; K480-K482 PolarHBondContact O-N 3.17Å; K480-T483 PolarHBondContact O-N 3.25Å; K480-E484 PolarHBondContact O-N 3.4Å
481	L	94.8	Very high	91	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.7	-37.1	174	-68.7	171.3	0	0	0	112.6	M439 F442 F451 Y455 M477 I478 S479 E484 C485 F489 T490 L493	M439-L481 HydrophobicContact CE-CD2 4.02Å; M439-L481 HydrophobicContact SD-CD2 3.99Å; F442-L481 HydrophobicContact CD2-CD2 4.43Å; F442-L481 HydrophobicContact CE1-CD2 4.17Å; F442-L481 HydrophobicContact CE2-CD2 4.1Å; F442-L481 HydrophobicContact CZ-CD2 3.94Å; F451-L481 HydrophobicContact CE1-CD1 4.34Å; F451-L481 HydrophobicContact CE1-CD2 3.78Å; F451-L481 HydrophobicContact CZ-CD2 4.44Å; Y455-L481 HydrophobicContact CD1-CD1 4.14Å; Y455-L481 HydrophobicContact CE1-CD1 3.9Å; M477-L481 HydrophobicContact CE-CD1 4.35Å; M477-L481 HydrophobicContact CE-CD2 4.14Å; M477-L481 HydrophobicContact CE-CG 4.06Å; M477-L481 WeakPolarHBondContact O-CG 3.26Å; M477-L481 PolarHBondContact O-N 3.41Å; I478-L481 PolarHBondContact O-N 2.87Å; S479-L481 PolarHBondContact O-N 3.37Å; L481-E484 PolarHBondContact O-N 3.29Å; L481-C485 PolarHBondContact O-N 3.43Å; L481-F489 HydrophobicContact CB-CD1 4.48Å; L481-F489 HydrophobicContact CB-CE1 4.35Å; L481-F489 HydrophobicContact CD2-CE1 4.33Å; L481-T490 HydrophobicContact CB-CG2 3.93Å; L481-L493 HydrophobicContact CD1-CD1 4.3Å
482	K	93.9	Very high	91.4	Very high	76 Å²	76	51.6 Å²	51.6	33%	0.33	28%	0.283	S	S	.	.	H	α-helix	trans	-66	-39.5	177.9	-170.2	177.8	-166.3	152.9	0	112.1	I478 S479 K480 E484 G486 T490 E494	I478-K482 WeakPolarHBondContact O-CB 3.48Å; I478-K482 PolarHBondContact O-N 3.2Å; S479-K482 WeakPolarHBondContact O-CB 3.45Å; S479-K482 PolarHBondContact O-N 2.94Å; S479-K482 VanDerWaalsContact O-N 3.16Å; K480-K482 VanDerWaalsContact C-N 3.32Å; K480-K482 PolarHBondContact O-N 3.17Å; K482-E484 VanDerWaalsContact C-N 3.32Å; K482-E484 PolarHBondContact O-N 2.9Å; K482-G486 CarbonylContact O-C 3.5Å; K482-G486 WeakPolarHBondContact O-CA 3.45Å; K482-G486 PolarHBondContact O-N 3.39Å; K482-T490 HydrophobicContact CB-CG2 3.77Å; K482-T490 HydrophobicContact CG-CG2 4.46Å; K482-E494 WeakPolarHBondContact CD-OE1 3.31Å; K482-E494 WeakPolarHBondContact CE-OE1 3.38Å; K482-E494 IonicContact NZ-OE1 2.88Å; K482-E494 PolarHBondContact NZ-OE1 3.45Å; K482-E494 IonicContact NZ-OE2 3.89Å; K482-E494 PolarHBondContact NZ-OE2 3.41Å
483	T	92.3	Very high	91.7	Very high	114 Å²	114	46.3 Å²	46.3	70%	0.699	25%	0.254	S	S	*	.	H	α-helix	trans	-62.9	-39.6	176.7	-59.8	0	0	0	0	111.5	S479 K480	S479-T483 PolarHBondContact O-N 3.13Å; S479-T483 PolarHBondContact O-OG1 3.18Å; K480-T483 PolarHBondContact O-N 3.25Å
484	E	88.8	Confident	92	Very high	74 Å²	74	48.2 Å²	48.2	35%	0.346	26%	0.261	S	S	.	.	H	α-helix	trans	-80.3	-41	-177.9	-64.7	-65.7	165.8	0	0	113.6	M439 F442 R443 K480 L481 K482	M439-E484 HydrophobicContact CE-CB 4.3Å; M439-E484 HydrophobicContact CE-CG 3.57Å; F442-E484 HydrophobicContact CD1-CB 4.43Å; F442-E484 HydrophobicContact CE1-CB 4.04Å; R443-E484 VanDerWaalsContact CD-OE1 3.26Å; R443-E484 WeakPolarHBondContact CD-OE1 3.45Å; R443-E484 VanDerWaalsContact CD-OE2 3.27Å; R443-E484 WeakPolarHBondContact CD-OE2 3.23Å; R443-E484 HydrophobicContact CG-CG 4.38Å; R443-E484 WeakPolarHBondContact CG-OE2 3.43Å; R443-E484 IonicContact CZ-OE1 3.06Å; R443-E484 IonicContact NE-OE1 3.81Å; R443-E484 PolarHBondContact NE-OE1 2.95Å; R443-E484 IonicContact NE-OE2 2.79Å; K480-E484 PolarHBondContact O-N 3.4Å; L481-E484 PolarHBondContact O-N 3.29Å; K482-E484 VanDerWaalsContact C-N 3.32Å; K482-E484 PolarHBondContact O-N 2.9Å
485	C	88.9	Confident	92.1	Very high	16 Å²	16	48.4 Å²	48.4	11%	0.108	26%	0.263	C	S	.	.	H	α-helix	trans	-113.3	-7	-171.3	-63.7	0	0	0	0	114.7	F442 L481 F489	F442-C485 VanDerWaalsContact CE1-SG 3.56Å; F442-C485 VanDerWaalsContact CZ-SG 3.55Å; L481-C485 PolarHBondContact O-N 3.43Å; C485-F489 HydrophobicContact CB-CB 3.56Å; C485-F489 HydrophobicContact CB-CD1 3.76Å; C485-F489 HydrophobicContact CB-CD2 3.79Å; C485-F489 HydrophobicContact CB-CE1 4.38Å; C485-F489 HydrophobicContact CB-CE2 4.39Å; C485-F489 HydrophobicContact CB-CG 3.43Å; C485-F489 VanDerWaalsContact CB-CG 3.43Å
486	G	88.9	Confident	92.3	Very high	32 Å²	32	43 Å²	43	33%	0.33	24%	0.239	S	C	.	.			trans	85	173.6	-177.9	0	0	0	0	0	114.7	K482 Q488 F489	K482-G486 CarbonylContact O-C 3.5Å; K482-G486 WeakPolarHBondContact O-CA 3.45Å; K482-G486 PolarHBondContact O-N 3.39Å; G486-Q488 VanDerWaalsContact C-N 3.35Å; G486-Q488 PolarHBondContact O-N 3.48Å; G486-F489 PolarHBondContact O-N 2.91Å
487	C	89	Confident	92.2	Very high	78 Å²	78	41.7 Å²	41.7	53%	0.527	23%	0.231	S	C	.	.	H	α-helix	trans	-68.3	-26.6	-174.5	59.2	0	0	0	0	114.8	F489 T490 S491	C487-F489 VanDerWaalsContact C-N 3.31Å; C487-F489 PolarHBondContact O-N 3.28Å; C487-T490 PolarHBondContact O-N 2.87Å; C487-S491 WeakPolarHBondContact O-CB 3.45Å; C487-S491 PolarHBondContact O-N 3.24Å
488	Q	86.8	Confident	92.2	Very high	151 Å²	151	49 Å²	49	71%	0.706	26%	0.259	S	S	*	.	H	α-helix	trans	-66.9	-35.6	178.5	-68.7	-176.3	-2	0	0	111.6	G486	G486-Q488 VanDerWaalsContact C-N 3.35Å; G486-Q488 PolarHBondContact O-N 3.48Å
489	F	88.6	Confident	92.2	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-66	-42.1	177.1	-172.7	-92.6	0	0	0	111.8	F442 K448 E452 L481 C485 G486 C487	F442-F489 HydrophobicContact CZ-CZ 4.24Å; K448-F489 HydrophobicContact CB-CE2 4.46Å; E452-F489 HydrophobicContact CB-CE1 4.31Å; E452-F489 HydrophobicContact CB-CE2 3.61Å; E452-F489 HydrophobicContact CB-CZ 3.49Å; E452-F489 VanDerWaalsContact CB-CZ 3.49Å; E452-F489 HydrophobicContact CG-CD2 4.25Å; E452-F489 HydrophobicContact CG-CE1 4.05Å; E452-F489 HydrophobicContact CG-CE2 3.77Å; E452-F489 HydrophobicContact CG-CZ 3.66Å; E452-F489 WeakPolarHBondContact OE2-CD2 3.44Å; E452-F489 WeakPolarHBondContact OE2-CE2 3.43Å; L481-F489 HydrophobicContact CB-CD1 4.48Å; L481-F489 HydrophobicContact CB-CE1 4.35Å; L481-F489 HydrophobicContact CD2-CE1 4.33Å; C485-F489 HydrophobicContact CB-CB 3.56Å; C485-F489 HydrophobicContact CB-CD1 3.76Å; C485-F489 HydrophobicContact CB-CD2 3.79Å; C485-F489 HydrophobicContact CB-CE1 4.38Å; C485-F489 HydrophobicContact CB-CE2 4.39Å; C485-F489 HydrophobicContact CB-CG 3.43Å; C485-F489 VanDerWaalsContact CB-CG 3.43Å; G486-F489 PolarHBondContact O-N 2.91Å; C487-F489 VanDerWaalsContact C-N 3.31Å; C487-F489 PolarHBondContact O-N 3.28Å
490	T	93.4	Very high	92.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-90.5	-12.2	-176	61.9	0	0	0	0	114.6	I478 L481 K482 C487 K492 L493 E494	I478-T490 HydrophobicContact CG2-CG2 4.04Å; L481-T490 HydrophobicContact CB-CG2 3.93Å; K482-T490 HydrophobicContact CB-CG2 3.77Å; K482-T490 HydrophobicContact CG-CG2 4.46Å; C487-T490 PolarHBondContact O-N 2.87Å; T490-K492 VanDerWaalsContact C-N 3.28Å; T490-K492 PolarHBondContact O-N 3.47Å; T490-K492 VanDerWaalsContact O-N 3.16Å; T490-L493 WeakPolarHBondContact O-CA 3.34Å; T490-L493 WeakPolarHBondContact O-CB 3.38Å; T490-L493 PolarHBondContact O-N 3.32Å; T490-E494 PolarHBondContact O-N 2.89Å; T490-E494 PolarHBondContact OG1-OE1 3.3Å
491	S	92.4	Very high	91.9	Very high	56 Å²	56	49.2 Å²	49.2	39%	0.392	26%	0.262	S	S	.	.	H	α-helix	trans	-52.2	-42.6	-173.6	175.7	0	0	0	0	113.7	C487 G495	C487-S491 WeakPolarHBondContact O-CB 3.45Å; C487-S491 PolarHBondContact O-N 3.24Å; S491-G495 PolarHBondContact O-N 2.9Å
492	K	92.7	Very high	91.9	Very high	87 Å²	87	53.7 Å²	53.7	38%	0.378	29%	0.285	S	S	.	.	H	α-helix	trans	-68.1	-38.8	177.8	-63.5	177.9	-174.9	167.2	0	111.8	T490 G495 M496 Y535	T490-K492 VanDerWaalsContact C-N 3.28Å; T490-K492 PolarHBondContact O-N 3.47Å; T490-K492 VanDerWaalsContact O-N 3.16Å; K492-G495 PolarHBondContact O-N 3.32Å; K492-M496 WeakPolarHBondContact O-CG 3.38Å; K492-M496 PolarHBondContact O-N 3.15Å; K492-Y535 HydrophobicContact CB-CD1 4.41Å; K492-Y535 HydrophobicContact CG-CD1 4.24Å
493	L	94.2	Very high	91.8	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-67.7	-43.9	178.6	-54	175.6	0	0	0	111.2	Y455 K456 L459 I478 L481 T490 G495 M496 F497	Y455-L493 HydrophobicContact CD1-CD1 3.94Å; Y455-L493 HydrophobicContact CD1-CD2 4.26Å; Y455-L493 HydrophobicContact CE1-CD1 4.01Å; K456-L493 HydrophobicContact CB-CD2 3.89Å; K456-L493 HydrophobicContact CG-CD2 4.03Å; L459-L493 HydrophobicContact CD2-CB 4.17Å; L459-L493 HydrophobicContact CD2-CD2 3.92Å; I478-L493 HydrophobicContact CD1-CB 3.97Å; I478-L493 HydrophobicContact CG1-CB 4.34Å; L481-L493 HydrophobicContact CD1-CD1 4.3Å; T490-L493 WeakPolarHBondContact O-CA 3.34Å; T490-L493 WeakPolarHBondContact O-CB 3.38Å; T490-L493 PolarHBondContact O-N 3.32Å; L493-G495 VanDerWaalsContact C-N 3.29Å; L493-G495 PolarHBondContact O-N 3.46Å; L493-M496 HydrophobicContact CD2-SD 4.28Å; L493-M496 WeakPolarHBondContact O-CB 3.26Å; L493-M496 PolarHBondContact O-N 3.19Å; L493-F497 PolarHBondContact O-N 3.16Å
494	E	94.3	Very high	91.8	Very high	61 Å²	61	48.9 Å²	48.9	29%	0.285	26%	0.259	S	S	.	.	H	α-helix	trans	-62.6	-37.9	173.4	-67.1	176	-164.9	0	0	111.2	I478 K482 T490 M496 F497 R498	I478-E494 HydrophobicContact CG2-CG 3.88Å; K482-E494 WeakPolarHBondContact CD-OE1 3.31Å; K482-E494 WeakPolarHBondContact CE-OE1 3.38Å; K482-E494 IonicContact NZ-OE1 2.88Å; K482-E494 PolarHBondContact NZ-OE1 3.45Å; K482-E494 IonicContact NZ-OE2 3.89Å; K482-E494 PolarHBondContact NZ-OE2 3.41Å; T490-E494 PolarHBondContact O-N 2.89Å; T490-E494 PolarHBondContact OG1-OE1 3.3Å; E494-M496 VanDerWaalsContact C-N 3.33Å; E494-M496 PolarHBondContact O-N 3.1Å; E494-F497 PolarHBondContact O-N 3.1Å; E494-R498 PolarHBondContact O-N 3.05Å; E494-R498 VanDerWaalsContact O-N 3.09Å
495	G	94.5	Very high	92	Very high	3 Å²	3	49.1 Å²	49.1	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-38.6	173.1	0	0	0	0	0	113.4	S491 K492 L493 F497 R498 D499	S491-G495 PolarHBondContact O-N 2.9Å; K492-G495 PolarHBondContact O-N 3.32Å; L493-G495 VanDerWaalsContact C-N 3.29Å; L493-G495 PolarHBondContact O-N 3.46Å; G495-F497 PolarHBondContact O-N 3.08Å; G495-R498 WeakPolarHBondContact O-CB 3.34Å; G495-R498 PolarHBondContact O-N 3.04Å; G495-D499 PolarHBondContact O-N 3.44Å
496	M	94.1	Very high	92.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-41.5	176	-66.5	165.6	58.7	0	0	112.1	K456 L459 A460 L463 K492 L493 E494 D499 M500 W536	K456-M496 HydrophobicContact CG-SD 3.99Å; L459-M496 HydrophobicContact CB-CE 4.3Å; L459-M496 HydrophobicContact CD2-CE 4.09Å; L459-M496 HydrophobicContact CD2-SD 4.39Å; L459-M496 HydrophobicContact CG-CE 4Å; A460-M496 VanDerWaalsContact CA-CE 3.45Å; A460-M496 HydrophobicContact CB-CE 3.58Å; L463-M496 HydrophobicContact CD1-CB 4.13Å; L463-M496 HydrophobicContact CD1-CE 4.16Å; K492-M496 WeakPolarHBondContact O-CG 3.38Å; K492-M496 PolarHBondContact O-N 3.15Å; L493-M496 HydrophobicContact CD2-SD 4.28Å; L493-M496 WeakPolarHBondContact O-CB 3.26Å; L493-M496 PolarHBondContact O-N 3.19Å; E494-M496 VanDerWaalsContact C-N 3.33Å; E494-M496 PolarHBondContact O-N 3.1Å; M496-D499 PolarHBondContact O-N 3.08Å; M496-M500 WeakPolarHBondContact O-CG 3.15Å; M496-M500 PolarHBondContact O-N 3.22Å; M496-M500 VanDerWaalsContact O-N 3.1Å; M496-W536 HydrophobicContact CB-CD2 4.45Å; M496-W536 HydrophobicContact CB-CH2 4.07Å; M496-W536 HydrophobicContact CB-CZ2 3.6Å; M496-W536 HydrophobicContact CE-CD2 4.27Å; M496-W536 HydrophobicContact CE-CE3 3.84Å; M496-W536 HydrophobicContact CE-CH2 4.16Å; M496-W536 HydrophobicContact CE-CZ3 3.77Å; M496-W536 HydrophobicContact CG-CD2 3.87Å; M496-W536 HydrophobicContact CG-CE3 4.38Å; M496-W536 HydrophobicContact CG-CG 4.22Å; M496-W536 HydrophobicContact CG-CH2 4.46Å; M496-W536 HydrophobicContact CG-CZ2 3.97Å; M496-W536 WeakPolarHBondContact O-CZ2 3.36Å
497	F	91.9	Very high	92.5	Very high	21 Å²	21	47.6 Å²	47.6	9%	0.092	25%	0.249	C	C	.	.	H	α-helix	trans	-64.6	-41.6	174.2	-88.2	-81.9	0	0	0	112.2	L459 L463 E474 I478 L493 E494 G495 D499 M500 S501	L459-F497 HydrophobicContact CD1-CE2 3.99Å; L459-F497 HydrophobicContact CD1-CZ 4.27Å; L459-F497 HydrophobicContact CD2-CE2 4.23Å; L463-F497 HydrophobicContact CD1-CE2 4.33Å; L463-F497 HydrophobicContact CD1-CZ 4.46Å; L463-F497 HydrophobicContact CD2-CD1 4.36Å; L463-F497 HydrophobicContact CD2-CE1 3.69Å; L463-F497 HydrophobicContact CD2-CE2 4.35Å; L463-F497 HydrophobicContact CD2-CZ 3.67Å; E474-F497 HydrophobicContact CB-CE1 4.43Å; E474-F497 HydrophobicContact CB-CE2 4.22Å; E474-F497 HydrophobicContact CB-CZ 3.53Å; E474-F497 HydrophobicContact CG-CZ 4.29Å; I478-F497 HydrophobicContact CD1-CD2 3.7Å; I478-F497 HydrophobicContact CD1-CE2 3.48Å; I478-F497 VanDerWaalsContact CD1-CE2 3.48Å; L493-F497 PolarHBondContact O-N 3.16Å; E494-F497 PolarHBondContact O-N 3.1Å; G495-F497 PolarHBondContact O-N 3.08Å; F497-D499 VanDerWaalsContact C-N 3.33Å; F497-D499 PolarHBondContact O-N 3.15Å; F497-M500 WeakPolarHBondContact O-CB 3.37Å; F497-M500 PolarHBondContact O-N 2.88Å; F497-S501 PolarHBondContact O-N 3.1Å; F497-S501 PolarHBondContact O-OG 3.39Å
498	R	93.6	Very high	92.8	Very high	155 Å²	155	47.5 Å²	47.5	59%	0.585	24%	0.243	S	C	*	.	H	α-helix	trans	-61	-43.7	176.7	-167	-176.4	-56.7	-173.2	2.6	111.6	E494 G495 M500 S501 I502	E494-R498 PolarHBondContact O-N 3.05Å; E494-R498 VanDerWaalsContact O-N 3.09Å; G495-R498 WeakPolarHBondContact O-CB 3.34Å; G495-R498 PolarHBondContact O-N 3.04Å; R498-M500 VanDerWaalsContact C-N 3.31Å; R498-M500 PolarHBondContact O-N 2.72Å; R498-S501 PolarHBondContact O-N 2.81Å; R498-I502 HydrophobicContact CG-CD1 3.75Å; R498-I502 HydrophobicContact CG-CG1 4.35Å; R498-I502 WeakPolarHBondContact O-CB 3.32Å; R498-I502 VanDerWaalsContact O-CG1 3.29Å; R498-I502 WeakPolarHBondContact O-CG1 3.36Å; R498-I502 PolarHBondContact O-N 3.5Å
499	D	94.1	Very high	93.1	Very high	14 Å²	14	43.2 Å²	43.2	8%	0.075	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-41.2	175.4	-75.8	-13.9	0	0	0	111.3	G495 M496 F497 S503 T532 W536	G495-D499 PolarHBondContact O-N 3.44Å; M496-D499 PolarHBondContact O-N 3.08Å; F497-D499 VanDerWaalsContact C-N 3.33Å; F497-D499 PolarHBondContact O-N 3.15Å; D499-S503 WeakPolarHBondContact O-CB 3.37Å; D499-S503 PolarHBondContact O-N 2.92Å; D499-T532 PolarHBondContact OD1-OG1 3.25Å; D499-T532 VanDerWaalsContact OD2-CB 3.27Å; D499-T532 WeakPolarHBondContact OD2-CB 3.24Å; D499-T532 PolarHBondContact OD2-N 2.84Å; D499-T532 PolarHBondContact OD2-OG1 2.88Å; D499-W536 HydrophobicContact CB-CZ2 4.26Å; D499-W536 PolarHBondContact OD2-NE1 2.95Å
500	M	91	Very high	93.4	Very high	18 Å²	18	43.1 Å²	43.1	9%	0.089	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-47.1	176.5	-70.6	-61	93.1	0	0	112	L463 L464 M496 F497 R498 S503 N504 R529 L531 W536	L463-M500 HydrophobicContact CB-CG 4.38Å; L463-M500 HydrophobicContact CB-SD 4.49Å; L463-M500 HydrophobicContact CD1-CG 4.33Å; L464-M500 HydrophobicContact CD2-CE 4.24Å; M496-M500 WeakPolarHBondContact O-CG 3.15Å; M496-M500 PolarHBondContact O-N 3.22Å; M496-M500 VanDerWaalsContact O-N 3.1Å; F497-M500 WeakPolarHBondContact O-CB 3.37Å; F497-M500 PolarHBondContact O-N 2.88Å; R498-M500 VanDerWaalsContact C-N 3.31Å; R498-M500 PolarHBondContact O-N 2.72Å; M500-S503 PolarHBondContact O-N 2.82Å; M500-N504 VanDerWaalsContact O-CG 3.24Å; M500-N504 PolarHBondContact O-N 2.79Å; M500-N504 PolarHBondContact O-ND2 3.34Å; M500-R529 HydrophobicContact CE-CB 4.47Å; M500-L531 HydrophobicContact CE-CD2 3.1Å; M500-W536 HydrophobicContact CE-CH2 3.57Å; M500-W536 HydrophobicContact CE-CZ2 3.49Å; M500-W536 VanDerWaalsContact CE-CZ2 3.49Å; M500-W536 HydrophobicContact CG-CH2 4.15Å; M500-W536 HydrophobicContact CG-CZ2 4.26Å; M500-W536 HydrophobicContact SD-CH2 4.08Å; M500-W536 HydrophobicContact SD-CZ2 4.43Å
501	S	91.6	Very high	93.3	Very high	75 Å²	75	48 Å²	48	52%	0.524	24%	0.241	S	C	.	.	H	α-helix	trans	-63.5	-49.6	177.8	-58.8	0	0	0	0	112	F497 R498 S503 N504 T505	F497-S501 PolarHBondContact O-N 3.1Å; F497-S501 PolarHBondContact O-OG 3.39Å; R498-S501 PolarHBondContact O-N 2.81Å; S501-S503 VanDerWaalsContact C-N 3.29Å; S501-S503 PolarHBondContact O-N 3.4Å; S501-N504 PolarHBondContact O-N 3.49Å; S501-T505 PolarHBondContact O-N 2.73Å; S501-T505 VanDerWaalsContact O-N 3.11Å; S501-T505 PolarHBondContact O-OG1 3.41Å
502	I	94	Very high	93.2	Very high	93 Å²	93	51.2 Å²	51.2	48%	0.477	25%	0.25	S	S	.	.	H	α-helix	trans	-60.9	-41.4	179.2	-68.9	172.3	0	0	0	110.5	R498 N504 T505 T506	R498-I502 HydrophobicContact CG-CD1 3.75Å; R498-I502 HydrophobicContact CG-CG1 4.35Å; R498-I502 WeakPolarHBondContact O-CB 3.32Å; R498-I502 VanDerWaalsContact O-CG1 3.29Å; R498-I502 WeakPolarHBondContact O-CG1 3.36Å; R498-I502 PolarHBondContact O-N 3.5Å; I502-N504 VanDerWaalsContact C-N 3.34Å; I502-N504 PolarHBondContact O-N 2.95Å; I502-T505 PolarHBondContact O-N 3.07Å; I502-T506 WeakPolarHBondContact O-CB 3.38Å; I502-T506 PolarHBondContact O-N 3.47Å; I502-T506 PolarHBondContact O-OG1 3.32Å
503	S	93	Very high	93.1	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.014	25%	0.247	C	C	.	.	H	α-helix	trans	-67.3	-35.5	-179.6	-168	0	0	0	0	112.5	D499 M500 S501 T506 M507 V528 R529 V530	D499-S503 WeakPolarHBondContact O-CB 3.37Å; D499-S503 PolarHBondContact O-N 2.92Å; M500-S503 PolarHBondContact O-N 2.82Å; S501-S503 VanDerWaalsContact C-N 3.29Å; S501-S503 PolarHBondContact O-N 3.4Å; S503-T506 PolarHBondContact O-N 2.9Å; S503-M507 WeakPolarHBondContact O-CB 3.36Å; S503-M507 PolarHBondContact O-N 3.44Å; S503-V528 PolarHBondContact OG-O 3.15Å; S503-R529 VanDerWaalsContact OG-CA 3.23Å; S503-R529 WeakPolarHBondContact OG-CA 2.99Å; S503-V530 PolarHBondContact OG-N 3.25Å
504	N	91.4	Very high	92.9	Very high	88 Å²	88	51.5 Å²	51.5	47%	0.471	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-47.2	174.2	-69.8	-21.1	0	0	0	110.6	M500 S501 I502 T506 M507 D508	M500-N504 VanDerWaalsContact O-CG 3.24Å; M500-N504 PolarHBondContact O-N 2.79Å; M500-N504 PolarHBondContact O-ND2 3.34Å; S501-N504 PolarHBondContact O-N 3.49Å; I502-N504 VanDerWaalsContact C-N 3.34Å; I502-N504 PolarHBondContact O-N 2.95Å; N504-T506 VanDerWaalsContact C-N 3.35Å; N504-T506 PolarHBondContact O-N 3.35Å; N504-M507 WeakPolarHBondContact O-CB 3.41Å; N504-M507 PolarHBondContact O-N 3.49Å; N504-M507 VanDerWaalsContact O-N 3.12Å; N504-D508 PolarHBondContact O-N 3.36Å
505	T	94.4	Very high	92.6	Very high	79 Å²	79	56.3 Å²	56.3	49%	0.485	28%	0.276	S	S	.	.	H	α-helix	trans	-59.2	-44.8	175.2	-54.6	0	0	0	0	111.9	S501 I502 M507 D508 E509	S501-T505 PolarHBondContact O-N 2.73Å; S501-T505 VanDerWaalsContact O-N 3.11Å; S501-T505 PolarHBondContact O-OG1 3.41Å; I502-T505 PolarHBondContact O-N 3.07Å; T505-M507 PolarHBondContact O-N 3.02Å; T505-D508 PolarHBondContact O-N 2.94Å; T505-E509 WeakPolarHBondContact O-CG 3.27Å; T505-E509 PolarHBondContact O-N 3.07Å
506	T	94.2	Very high	92.3	Very high	8 Å²	8	60.5 Å²	60.5	5%	0.049	31%	0.305	C	S	.	.	H	α-helix	trans	-61.3	-36.1	177.5	-54.2	0	0	0	0	111.4	I502 S503 N504 F510 F561 Y562	I502-T506 WeakPolarHBondContact O-CB 3.38Å; I502-T506 PolarHBondContact O-N 3.47Å; I502-T506 PolarHBondContact O-OG1 3.32Å; S503-T506 PolarHBondContact O-N 2.9Å; N504-T506 VanDerWaalsContact C-N 3.35Å; N504-T506 PolarHBondContact O-N 3.35Å; T506-F510 WeakPolarHBondContact O-CB 3.33Å; T506-F510 PolarHBondContact O-N 2.93Å; T506-F561 HydrophobicContact CG2-CE1 4.26Å; T506-Y562 HydrophobicContact CG2-CD2 4.07Å; T506-Y562 HydrophobicContact CG2-CE2 4.29Å
507	M	94.3	Very high	91.8	Very high	7 Å²	7	64 Å²	64	3%	0.034	33%	0.326	C	S	.	.	H	α-helix	trans	-70.1	-38.3	178	-168.7	64.6	-139.6	0	0	111.8	S503 N504 T505 F510 R511 L526 T527 V528	S503-M507 WeakPolarHBondContact O-CB 3.36Å; S503-M507 PolarHBondContact O-N 3.44Å; N504-M507 WeakPolarHBondContact O-CB 3.41Å; N504-M507 PolarHBondContact O-N 3.49Å; N504-M507 VanDerWaalsContact O-N 3.12Å; T505-M507 PolarHBondContact O-N 3.02Å; M507-F510 HydrophobicContact CE-CD1 3.58Å; M507-F510 HydrophobicContact CE-CE1 4.24Å; M507-F510 PolarHBondContact O-N 3.26Å; M507-F510 HydrophobicContact SD-CD1 4.27Å; M507-R511 HydrophobicContact CE-CG 4.07Å; M507-R511 WeakPolarHBondContact O-CG 3.49Å; M507-R511 PolarHBondContact O-N 2.82Å; M507-L526 WeakPolarHBondContact CE-O 3.37Å; M507-T527 HydrophobicContact CG-CG2 4.44Å; M507-V528 PolarHBondContact SD-N 3.25Å
508	D	93.6	Very high	91.2	Very high	76 Å²	76	67.2 Å²	67.2	41%	0.406	36%	0.357	S	S	.	.	H	α-helix	trans	-67.3	-41.5	175.3	-67.7	-28.7	0	0	0	111.7	N504 T505 F510 R511 Q512	N504-D508 PolarHBondContact O-N 3.36Å; T505-D508 PolarHBondContact O-N 2.94Å; D508-F510 VanDerWaalsContact C-N 3.31Å; D508-F510 PolarHBondContact O-N 2.92Å; D508-R511 PolarHBondContact O-N 3.49Å; D508-R511 IonicContact OD1-NH1 2.86Å; D508-R511 PolarHBondContact OD1-NH1 3.4Å; D508-Q512 WeakPolarHBondContact O-CG 3.16Å; D508-Q512 PolarHBondContact O-N 3.49Å
509	E	93.8	Very high	90.8	Very high	62 Å²	62	62.6 Å²	62.6	29%	0.29	35%	0.346	S	S	.	.	H	α-helix	trans	-60.3	-41	171.5	-68.2	173.4	155.7	0	0	111.8	T505 Q512 H513 F561 K565	T505-E509 WeakPolarHBondContact O-CG 3.27Å; T505-E509 PolarHBondContact O-N 3.07Å; E509-Q512 PolarHBondContact O-N 2.91Å; E509-H513 WeakPolarHBondContact O-CB 3.39Å; E509-H513 PolarHBondContact O-N 3.49Å; E509-F561 HydrophobicContact CB-CZ 4.18Å; E509-K565 IonicContact OE1-NZ 2.96Å; E509-K565 PolarHBondContact OE1-NZ 3.21Å; E509-K565 IonicContact OE2-NZ 3.7Å; E509-K565 PolarHBondContact OE2-NZ 3Å
510	F	94	Very high	90.2	Very high	0 Å²	0	66 Å²	66	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-63.8	-42.3	175.9	179.3	-116.9	0	0	0	111.7	T506 M507 D508 Q512 H513 L514 L521 V557 F558 F561	T506-F510 WeakPolarHBondContact O-CB 3.33Å; T506-F510 PolarHBondContact O-N 2.93Å; M507-F510 HydrophobicContact CE-CD1 3.58Å; M507-F510 HydrophobicContact CE-CE1 4.24Å; M507-F510 PolarHBondContact O-N 3.26Å; M507-F510 HydrophobicContact SD-CD1 4.27Å; D508-F510 VanDerWaalsContact C-N 3.31Å; D508-F510 PolarHBondContact O-N 2.92Å; F510-Q512 VanDerWaalsContact C-N 3.32Å; F510-Q512 PolarHBondContact O-N 3.48Å; F510-H513 WeakPolarHBondContact O-CB 3.32Å; F510-H513 PolarHBondContact O-N 3.47Å; F510-H513 VanDerWaalsContact O-N 3.15Å; F510-L514 HydrophobicContact CD1-CD1 4.02Å; F510-L514 HydrophobicContact CD1-CG 4.48Å; F510-L514 HydrophobicContact CE1-CD1 3.61Å; F510-L514 HydrophobicContact CE1-CD2 4.46Å; F510-L514 HydrophobicContact CE1-CG 4.18Å; F510-L514 HydrophobicContact CE2-CD1 4.5Å; F510-L514 HydrophobicContact CE2-CD2 4.06Å; F510-L514 HydrophobicContact CE2-CG 4.19Å; F510-L514 HydrophobicContact CZ-CD1 3.89Å; F510-L514 HydrophobicContact CZ-CD2 3.88Å; F510-L514 HydrophobicContact CZ-CG 4.02Å; F510-L514 WeakPolarHBondContact O-CG 3.13Å; F510-L514 PolarHBondContact O-N 3.45Å; F510-L521 HydrophobicContact CE1-CD1 4.45Å; F510-L521 HydrophobicContact CZ-CD2 4.27Å; F510-V557 HydrophobicContact CE2-CG1 4.21Å; F510-V557 HydrophobicContact CZ-CG1 4.16Å; F510-F558 HydrophobicContact CB-CD2 4.4Å; F510-F558 HydrophobicContact CB-CE2 4.42Å; F510-F558 AromaticContact CD1-CD2 3.78Å; F510-F558 HydrophobicContact CD1-CD2 3.78Å; F510-F558 HydrophobicContact CD1-CE2 4.45Å; F510-F558 HydrophobicContact CD2-CD2 4.02Å; F510-F558 HydrophobicContact CE1-CB 4.22Å; F510-F558 AromaticContact CE1-CD2 3.93Å; F510-F558 HydrophobicContact CE1-CD2 3.93Å; F510-F558 HydrophobicContact CE2-CB 4.19Å; F510-F558 HydrophobicContact CE2-CD2 4.18Å; F510-F558 AromaticContact CG-CD2 3.8Å; F510-F558 HydrophobicContact CG-CD2 3.8Å; F510-F558 HydrophobicContact CG-CE2 4.3Å; F510-F558 HydrophobicContact CZ-CB 3.84Å; F510-F558 HydrophobicContact CZ-CD2 4.13Å; F510-F561 HydrophobicContact CB-CD1 4.03Å; F510-F561 HydrophobicContact CB-CE1 3.66Å; F510-F561 HydrophobicContact CB-CZ 4.06Å; F510-F561 HydrophobicContact CD2-CB 3.92Å; F510-F561 AromaticContact CD2-CD1 3.5Å; F510-F561 HydrophobicContact CD2-CD1 3.5Å; F510-F561 HydrophobicContact CD2-CD2 4.15Å; F510-F561 HydrophobicContact CD2-CE1 4.01Å; F510-F561 AromaticContact CD2-CG 3.58Å; F510-F561 HydrophobicContact CD2-CG 3.58Å; F510-F561 HydrophobicContact CE2-CB 4.03Å; F510-F561 HydrophobicContact CE2-CD1 4.37Å; F510-F561 HydrophobicContact CE2-CG 4.2Å; F510-F561 HydrophobicContact CG-CD1 4.13Å; F510-F561 HydrophobicContact CG-CE1 4.27Å
511	R	91.7	Very high	89.9	Confident	101 Å²	101	66.2 Å²	66.2	38%	0.381	37%	0.372	S	S	.	.	H	α-helix	trans	-60.4	-41.5	175	-71.5	173	-175.6	144.3	-3.7	111.8	M507 D508 H513 L514 Q515	M507-R511 HydrophobicContact CE-CG 4.07Å; M507-R511 WeakPolarHBondContact O-CG 3.49Å; M507-R511 PolarHBondContact O-N 2.82Å; D508-R511 PolarHBondContact O-N 3.49Å; D508-R511 IonicContact OD1-NH1 2.86Å; D508-R511 PolarHBondContact OD1-NH1 3.4Å; R511-H513 VanDerWaalsContact C-N 3.35Å; R511-L514 PolarHBondContact O-N 2.73Å; R511-Q515 WeakPolarHBondContact O-CG 3.48Å; R511-Q515 PolarHBondContact O-N 2.64Å; R511-Q515 VanDerWaalsContact O-N 3.13Å
512	Q	91.4	Very high	89.3	Confident	125 Å²	125	65.3 Å²	65.3	58%	0.584	38%	0.375	S	S	*	.	H	α-helix	trans	-65.3	-37.6	174.3	-68.9	175.4	10.2	0	0	112.1	D508 E509 F510 Q515 S516	D508-Q512 WeakPolarHBondContact O-CG 3.16Å; D508-Q512 PolarHBondContact O-N 3.49Å; E509-Q512 PolarHBondContact O-N 2.91Å; F510-Q512 VanDerWaalsContact C-N 3.32Å; F510-Q512 PolarHBondContact O-N 3.48Å; Q512-Q515 PolarHBondContact O-N 3.15Å; Q512-S516 WeakPolarHBondContact O-CB 3.32Å; Q512-S516 PolarHBondContact O-N 3.1Å; Q512-S516 PolarHBondContact O-OG 3.12Å
513	H	90.5	Very high	88.6	Confident	66 Å²	66	64.9 Å²	64.9	31%	0.306	39%	0.393	S	S	.	.	H	α-helix	trans	-64	-40.8	175.2	-178.8	63.7	0	0	0	112.4	E509 F510 R511 S516 T517 F561	E509-H513 WeakPolarHBondContact O-CB 3.39Å; E509-H513 PolarHBondContact O-N 3.49Å; F510-H513 WeakPolarHBondContact O-CB 3.32Å; F510-H513 PolarHBondContact O-N 3.47Å; F510-H513 VanDerWaalsContact O-N 3.15Å; R511-H513 VanDerWaalsContact C-N 3.35Å; H513-S516 WeakPolarHBondContact CA-OG 3.18Å; H513-S516 PolarHBondContact O-N 2.89Å; H513-S516 PolarHBondContact O-OG 3.37Å; H513-S516 VanDerWaalsContact O-OG 3.08Å; H513-T517 PolarHBondContact CE1-OG1 2.78Å; H513-T517 PolarHBondContact ND1-OG1 3.37Å; H513-T517 VanDerWaalsContact O-CB 3.3Å; H513-T517 WeakPolarHBondContact O-CB 3.44Å; H513-T517 PolarHBondContact O-N 2.97Å; H513-T517 PolarHBondContact O-OG1 3.33Å; H513-F561 HydrophobicContact CB-CD2 4.08Å; H513-F561 HydrophobicContact CB-CE2 3.83Å; H513-F561 AromaticContact CD2-CD2 3.62Å; H513-F561 AromaticContact CG-CD2 3.8Å; H513-F561 AromaticContact CG-CE2 3.98Å
514	L	89.9	Confident	88.4	Confident	28 Å²	28	66.7 Å²	66.7	15%	0.147	40%	0.404	C	S	.	.	H	α-helix	trans	-63.1	-41.5	175.2	-67.7	174.2	0	0	0	111.8	F510 R511 A518 V519 L521 V557	F510-L514 HydrophobicContact CD1-CD1 4.02Å; F510-L514 HydrophobicContact CD1-CG 4.48Å; F510-L514 HydrophobicContact CE1-CD1 3.61Å; F510-L514 HydrophobicContact CE1-CD2 4.46Å; F510-L514 HydrophobicContact CE1-CG 4.18Å; F510-L514 HydrophobicContact CE2-CD1 4.5Å; F510-L514 HydrophobicContact CE2-CD2 4.06Å; F510-L514 HydrophobicContact CE2-CG 4.19Å; F510-L514 HydrophobicContact CZ-CD1 3.89Å; F510-L514 HydrophobicContact CZ-CD2 3.88Å; F510-L514 HydrophobicContact CZ-CG 4.02Å; F510-L514 WeakPolarHBondContact O-CG 3.13Å; F510-L514 PolarHBondContact O-N 3.45Å; R511-L514 PolarHBondContact O-N 2.73Å; L514-A518 WeakPolarHBondContact O-CA 3.21Å; L514-A518 PolarHBondContact O-N 2.64Å; L514-A518 VanDerWaalsContact O-N 3.1Å; L514-V519 HydrophobicContact CD2-CB 4.24Å; L514-L521 HydrophobicContact CD1-CD1 3.68Å; L514-L521 HydrophobicContact CD1-CD2 4.48Å; L514-L521 HydrophobicContact CD1-CG 4.07Å; L514-L521 HydrophobicContact CD2-CD2 4.05Å; L514-L521 HydrophobicContact CD2-CG 4.23Å; L514-V557 HydrophobicContact CD2-CG1 4.3Å
515	Q	86.8	Confident	88.4	Confident	161 Å²	161	69.5 Å²	69.5	75%	0.752	42%	0.419	S	S	*	.	H	α-helix	trans	-66	-40.5	177.3	-71.2	173.7	-3.5	0	0	112.4	R511 Q512	R511-Q515 WeakPolarHBondContact O-CG 3.48Å; R511-Q515 PolarHBondContact O-N 2.64Å; R511-Q515 VanDerWaalsContact O-N 3.13Å; Q512-Q515 PolarHBondContact O-N 3.15Å
516	S	88.3	Confident	88.2	Confident	92 Å²	92	67.2 Å²	67.2	64%	0.643	40%	0.404	S	S	*	.	H	α-helix	trans	-78.5	-32.7	-177.5	48.9	0	0	0	0	113.9	Q512 H513	Q512-S516 WeakPolarHBondContact O-CB 3.32Å; Q512-S516 PolarHBondContact O-N 3.1Å; Q512-S516 PolarHBondContact O-OG 3.12Å; H513-S516 WeakPolarHBondContact CA-OG 3.18Å; H513-S516 PolarHBondContact O-N 2.89Å; H513-S516 PolarHBondContact O-OG 3.37Å; H513-S516 VanDerWaalsContact O-OG 3.08Å
517	T	84.6	Confident	88.1	Confident	72 Å²	72	70.5 Å²	70.5	44%	0.442	42%	0.424	S	S	.	.	H	α-helix	trans	-97.7	-5	-175.6	-42.5	0	0	0	0	112.3	H513 V519	H513-T517 PolarHBondContact CE1-OG1 2.78Å; H513-T517 PolarHBondContact ND1-OG1 3.37Å; H513-T517 VanDerWaalsContact O-CB 3.3Å; H513-T517 WeakPolarHBondContact O-CB 3.44Å; H513-T517 PolarHBondContact O-N 2.97Å; H513-T517 PolarHBondContact O-OG1 3.33Å; T517-V519 HydrophobicContact CG2-CG2 3.68Å; T517-V519 PolarHBondContact O-N 2.9Å; T517-V519 VanDerWaalsContact O-N 3.09Å
518	A	80	Confident	88	Confident	90 Å²	90	71.1 Å²	71.1	74%	0.744	43%	0.428	S	S	*	.			trans	52.3	26.7	-176.1	0	0	0	0	0	114.4	L514 S520	L514-A518 WeakPolarHBondContact O-CA 3.21Å; L514-A518 PolarHBondContact O-N 2.64Å; L514-A518 VanDerWaalsContact O-N 3.1Å; A518-S520 PolarHBondContact O-N 3.38Å
519	V	83.3	Confident	87.9	Confident	57 Å²	57	72.6 Å²	72.6	35%	0.345	43%	0.428	S	S	.	.			trans	-74.2	121	175.9	-178.5	0	0	0	0	109	L514 T517 V557	L514-V519 HydrophobicContact CD2-CB 4.24Å; T517-V519 HydrophobicContact CG2-CG2 3.68Å; T517-V519 PolarHBondContact O-N 2.9Å; T517-V519 VanDerWaalsContact O-N 3.09Å; V519-V557 HydrophobicContact CG1-CG1 3.9Å; V519-V557 HydrophobicContact CG1-CG2 4.39Å
520	S	82.1	Confident	87.9	Confident	87 Å²	87	70.9 Å²	70.9	61%	0.608	42%	0.421	S	S	*	.			trans	-85	135.4	178	-178.8	0	0	0	0	111.7	A518 G522	A518-S520 PolarHBondContact O-N 3.38Å; S520-G522 VanDerWaalsContact C-N 3.26Å; S520-G522 PolarHBondContact O-N 2.96Å; S520-G522 PolarHBondContact OG-N 3.03Å
521	L	85.1	Confident	87.8	Confident	22 Å²	22	73.2 Å²	73.2	12%	0.115	43%	0.434	C	S	.	.			trans	-87	12.1	172.1	-62	-178.7	0	0	0	113.2	F510 L514 G523 V524 L526 A554 V557	F510-L521 HydrophobicContact CE1-CD1 4.45Å; F510-L521 HydrophobicContact CZ-CD2 4.27Å; L514-L521 HydrophobicContact CD1-CD1 3.68Å; L514-L521 HydrophobicContact CD1-CD2 4.48Å; L514-L521 HydrophobicContact CD1-CG 4.07Å; L514-L521 HydrophobicContact CD2-CD2 4.05Å; L514-L521 HydrophobicContact CD2-CG 4.23Å; L521-G523 PolarHBondContact O-N 2.87Å; L521-V524 WeakPolarHBondContact CB-O 3.45Å; L521-V524 PolarHBondContact O-N 3.44Å; L521-L526 HydrophobicContact CD1-CB 4.14Å; L521-A554 HydrophobicContact CB-CB 4.35Å; L521-A554 HydrophobicContact CD2-CB 4.26Å; L521-V557 HydrophobicContact CD2-CB 4.02Å; L521-V557 HydrophobicContact CD2-CG1 3.92Å; L521-V557 HydrophobicContact CD2-CG2 4.42Å
522	G	78.3	Confident	87.9	Confident	56 Å²	56	71.3 Å²	71.3	58%	0.577	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	34.8	178.4	0	0	0	0	0	113.8	S520 V524	S520-G522 VanDerWaalsContact C-N 3.26Å; S520-G522 PolarHBondContact O-N 2.96Å; S520-G522 PolarHBondContact OG-N 3.03Å; G522-V524 VanDerWaalsContact C-N 3.33Å; G522-V524 PolarHBondContact O-N 3.06Å
523	G	80.9	Confident	87.7	Confident	83 Å²	83	70.3 Å²	70.3	86%	0.856	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	6.4	178.9	0	0	0	0	0	115.4	L521	L521-G523 PolarHBondContact O-N 2.87Å
524	V	88.6	Confident	87.5	Confident	41 Å²	41	69.7 Å²	69.7	25%	0.248	45%	0.448	C	S	.	.			trans	-92.1	122.9	175.6	-179	0	0	0	0	110.3	L521 G522 L526 A554	L521-V524 WeakPolarHBondContact CB-O 3.45Å; L521-V524 PolarHBondContact O-N 3.44Å; G522-V524 VanDerWaalsContact C-N 3.33Å; G522-V524 PolarHBondContact O-N 3.06Å; V524-L526 PolarHBondContact O-N 2.81Å; V524-A554 HydrophobicContact CB-CB 4.16Å; V524-A554 HydrophobicContact CG1-CB 4.16Å
525	D	90	Very high	87.5	Confident	147 Å²	147	72.1 Å²	72.1	79%	0.786	46%	0.455	S	S	*	.			trans	-82.1	108.6	165.6	-176.7	14.3	0	0	0	109.4
526	L	91.7	Very high	87.6	Confident	31 Å²	31	64.7 Å²	64.7	16%	0.162	42%	0.42	C	S	.	.			trans	-105	129.4	-175.6	-179	68.1	0	0	0	110.2	M507 L521 V524 V528 A554 F558	M507-L526 WeakPolarHBondContact CE-O 3.37Å; L521-L526 HydrophobicContact CD1-CB 4.14Å; V524-L526 PolarHBondContact O-N 2.81Å; L526-V528 HydrophobicContact CD1-CG2 3.94Å; L526-V528 HydrophobicContact CD2-CG2 3.73Å; L526-V528 HydrophobicContact CG-CG2 3.69Å; L526-A554 HydrophobicContact CD2-CB 4.2Å; L526-A554 WeakPolarHBondContact CD2-O 3.48Å; L526-F558 HydrophobicContact CD2-CB 3.92Å
527	T	91.9	Very high	87.4	Confident	77 Å²	77	62.8 Å²	62.8	47%	0.472	41%	0.406	S	S	.	.			trans	-124.4	120.9	165.9	-65	0	0	0	0	108.9	M507	M507-T527 HydrophobicContact CG-CG2 4.44Å
528	V	92.2	Very high	86.7	Confident	20 Å²	20	62.2 Å²	62.2	12%	0.121	40%	0.402	C	S	.	.			trans	-110.8	137.6	-178.6	-172.8	0	0	0	0	110.4	S503 M507 L526 V530 F558	S503-V528 PolarHBondContact OG-O 3.15Å; M507-V528 PolarHBondContact SD-N 3.25Å; L526-V528 HydrophobicContact CD1-CG2 3.94Å; L526-V528 HydrophobicContact CD2-CG2 3.73Å; L526-V528 HydrophobicContact CG-CG2 3.69Å; V528-V530 HydrophobicContact CG1-CG2 4.27Å; V528-F558 HydrophobicContact CB-CD1 4.1Å; V528-F558 HydrophobicContact CB-CD2 4.31Å; V528-F558 HydrophobicContact CB-CE1 3.81Å; V528-F558 HydrophobicContact CB-CE2 4.03Å; V528-F558 HydrophobicContact CB-CG 4.35Å; V528-F558 HydrophobicContact CB-CZ 3.77Å; V528-F558 HydrophobicContact CG1-CD1 3.98Å; V528-F558 HydrophobicContact CG1-CE1 3.51Å; V528-F558 HydrophobicContact CG1-CZ 3.85Å; V528-F558 HydrophobicContact CG2-CB 4.43Å; V528-F558 HydrophobicContact CG2-CD1 3.82Å; V528-F558 HydrophobicContact CG2-CD2 4.04Å; V528-F558 HydrophobicContact CG2-CE1 4.08Å; V528-F558 HydrophobicContact CG2-CE2 4.27Å; V528-F558 HydrophobicContact CG2-CG 3.81Å; V528-F558 HydrophobicContact CG2-CZ 4.29Å
529	R	91.6	Very high	86.1	Confident	106 Å²	106	63.1 Å²	63.1	40%	0.4	39%	0.391	S	S	.	.			trans	-110.5	113.9	169.8	-66.2	-172	-176.6	112.4	-1.1	110.5	L464 M500 S503 L531	L464-R529 PolarHBondContact O-NH1 3.45Å; M500-R529 HydrophobicContact CE-CB 4.47Å; S503-R529 VanDerWaalsContact OG-CA 3.23Å; S503-R529 WeakPolarHBondContact OG-CA 2.99Å; R529-L531 HydrophobicContact CB-CD2 4.25Å
530	V	92.8	Very high	85	Confident	26 Å²	26	65.6 Å²	65.6	16%	0.158	41%	0.411	C	S	.	.			trans	-93.8	122	179.5	-174.1	0	0	0	0	109.4	S503 V528 F558 Y562 L571	S503-V530 PolarHBondContact OG-N 3.25Å; V528-V530 HydrophobicContact CG1-CG2 4.27Å; V530-F558 HydrophobicContact CG2-CE1 3.98Å; V530-F558 HydrophobicContact CG2-CZ 3.83Å; V530-Y562 HydrophobicContact CB-CE2 4.31Å; V530-Y562 HydrophobicContact CG1-CE2 3.96Å; V530-Y562 HydrophobicContact CG2-CD2 4.19Å; V530-Y562 HydrophobicContact CG2-CE2 3.94Å; V530-L571 HydrophobicContact CG1-CD2 4.03Å
531	L	92.3	Very high	84.3	Confident	50 Å²	50	64.9 Å²	64.9	26%	0.262	41%	0.41	S	S	.	.			trans	-121.7	140	-171.1	-47	-177.7	0	0	0	110.6	L464 M500 R529 T533 W536	L464-L531 HydrophobicContact CD2-CD1 3.97Å; L464-L531 HydrophobicContact CD2-CD2 4.29Å; M500-L531 HydrophobicContact CE-CD2 3.1Å; R529-L531 HydrophobicContact CB-CD2 4.25Å; L531-T533 PolarHBondContact O-N 3.32Å; L531-W536 HydrophobicContact CB-CD2 4.25Å; L531-W536 HydrophobicContact CB-CG 4.03Å; L531-W536 HydrophobicContact CD1-CD2 3.94Å; L531-W536 HydrophobicContact CD1-CE3 4.04Å; L531-W536 HydrophobicContact CD1-CG 4.27Å; L531-W536 HydrophobicContact CD1-CZ3 4.48Å; L531-W536 HydrophobicContact CD2-CD2 4.3Å; L531-W536 HydrophobicContact CD2-CH2 4.22Å; L531-W536 HydrophobicContact CD2-CZ2 3.74Å; L531-W536 HydrophobicContact CG-CD2 4.39Å
532	T	92.9	Very high	83.6	Confident	60 Å²	60	66 Å²	66	37%	0.368	42%	0.418	S	S	.	.			trans	-80.2	115.7	177.3	-59.1	0	0	0	0	110.6	D499 G534 Y535 W536	D499-T532 PolarHBondContact OD1-OG1 3.25Å; D499-T532 VanDerWaalsContact OD2-CB 3.27Å; D499-T532 WeakPolarHBondContact OD2-CB 3.24Å; D499-T532 PolarHBondContact OD2-N 2.84Å; D499-T532 PolarHBondContact OD2-OG1 2.88Å; T532-G534 VanDerWaalsContact C-N 3.26Å; T532-G534 PolarHBondContact O-N 3.48Å; T532-Y535 HydrophobicContact CG2-CD2 3.9Å; T532-Y535 HydrophobicContact CG2-CE2 4.12Å; T532-Y535 HydrophobicContact CG2-CG 4.26Å; T532-Y535 PolarHBondContact O-N 2.85Å; T532-W536 PolarHBondContact O-N 3.14Å
533	T	88.3	Confident	83.4	Confident	105 Å²	105	64.1 Å²	64.1	64%	0.644	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-38.8	-173.2	-52	0	0	0	0	114.6	L531 Y535	L531-T533 PolarHBondContact O-N 3.32Å; T533-Y535 VanDerWaalsContact C-N 3.33Å; T533-Y535 PolarHBondContact O-N 2.96Å
534	G	86.1	Confident	83.4	Confident	53 Å²	53	66.9 Å²	66.9	55%	0.546	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-20.5	179.9	0	0	0	0	0	115.2	T532	T532-G534 VanDerWaalsContact C-N 3.26Å; T532-G534 PolarHBondContact O-N 3.48Å
535	Y	89.1	Confident	83.4	Confident	78 Å²	78	65.5 Å²	65.5	31%	0.306	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-25.4	-178.7	-64.4	-22.1	0	0	0	113.3	K456 K492 T532 T533	K456-Y535 WeakPolarHBondContact CE-O 3.48Å; K456-Y535 PolarHBondContact NZ-O 3.46Å; K492-Y535 HydrophobicContact CB-CD1 4.41Å; K492-Y535 HydrophobicContact CG-CD1 4.24Å; T532-Y535 HydrophobicContact CG2-CD2 3.9Å; T532-Y535 HydrophobicContact CG2-CE2 4.12Å; T532-Y535 HydrophobicContact CG2-CG 4.26Å; T532-Y535 PolarHBondContact O-N 2.85Å; T533-Y535 VanDerWaalsContact C-N 3.33Å; T533-Y535 PolarHBondContact O-N 2.96Å
536	W	89.8	Confident	83.4	Confident	6 Å²	6	62 Å²	62	2%	0.023	36%	0.357	C	S	.	.	S	Bend	trans	-102.6	150.3	-173.8	-67.5	76.3	0	0	0	112.1	A460 L463 L464 M496 D499 M500 L531 T532 T538	A460-W536 HydrophobicContact CB-CE3 3.81Å; A460-W536 HydrophobicContact CB-CZ3 3.89Å; L463-W536 HydrophobicContact CB-CH2 4.17Å; L463-W536 HydrophobicContact CD1-CH2 3.94Å; L464-W536 HydrophobicContact CD1-CE3 4.23Å; L464-W536 HydrophobicContact CD1-CZ3 3.9Å; L464-W536 HydrophobicContact CD2-CH2 4.23Å; L464-W536 HydrophobicContact CD2-CZ3 3.98Å; L464-W536 HydrophobicContact CG-CH2 4.33Å; L464-W536 HydrophobicContact CG-CZ3 3.73Å; M496-W536 HydrophobicContact CB-CD2 4.45Å; M496-W536 HydrophobicContact CB-CH2 4.07Å; M496-W536 HydrophobicContact CB-CZ2 3.6Å; M496-W536 HydrophobicContact CE-CD2 4.27Å; M496-W536 HydrophobicContact CE-CE3 3.84Å; M496-W536 HydrophobicContact CE-CH2 4.16Å; M496-W536 HydrophobicContact CE-CZ3 3.77Å; M496-W536 HydrophobicContact CG-CD2 3.87Å; M496-W536 HydrophobicContact CG-CE3 4.38Å; M496-W536 HydrophobicContact CG-CG 4.22Å; M496-W536 HydrophobicContact CG-CH2 4.46Å; M496-W536 HydrophobicContact CG-CZ2 3.97Å; M496-W536 WeakPolarHBondContact O-CZ2 3.36Å; D499-W536 HydrophobicContact CB-CZ2 4.26Å; D499-W536 PolarHBondContact OD2-NE1 2.95Å; M500-W536 HydrophobicContact CE-CH2 3.57Å; M500-W536 HydrophobicContact CE-CZ2 3.49Å; M500-W536 VanDerWaalsContact CE-CZ2 3.49Å; M500-W536 HydrophobicContact CG-CH2 4.15Å; M500-W536 HydrophobicContact CG-CZ2 4.26Å; M500-W536 HydrophobicContact SD-CH2 4.08Å; M500-W536 HydrophobicContact SD-CZ2 4.43Å; L531-W536 HydrophobicContact CB-CD2 4.25Å; L531-W536 HydrophobicContact CB-CG 4.03Å; L531-W536 HydrophobicContact CD1-CD2 3.94Å; L531-W536 HydrophobicContact CD1-CE3 4.04Å; L531-W536 HydrophobicContact CD1-CG 4.27Å; L531-W536 HydrophobicContact CD1-CZ3 4.48Å; L531-W536 HydrophobicContact CD2-CD2 4.3Å; L531-W536 HydrophobicContact CD2-CH2 4.22Å; L531-W536 HydrophobicContact CD2-CZ2 3.74Å; L531-W536 HydrophobicContact CG-CD2 4.39Å; T532-W536 PolarHBondContact O-N 3.14Å; W536-T538 HydrophobicContact CB-CG2 4.45Å; W536-T538 PolarHBondContact O-N 3.47Å
537	P	83.3	Confident	83.3	Confident	51 Å²	51	61.4 Å²	61.4	33%	0.331	35%	0.354	S	S	.	.			trans	-71.1	100.6	170.9	28.6	-28.8	0	0	0	108.3	A460	A460-P537 HydrophobicContact CB-CG 3.54Å
538	T	71.2	Confident	83.2	Confident	61 Å²	61	58.4 Å²	58.4	37%	0.374	34%	0.336	S	S	.	.			trans	-108.8	147.2	177.9	48.5	0	0	0	0	110.4	W536	W536-T538 HydrophobicContact CB-CG2 4.45Å; W536-T538 PolarHBondContact O-N 3.47Å
539	Q	66.9	Low	83.1	Confident	108 Å²	108	62.1 Å²	62.1	51%	0.505	36%	0.36	S	S	.	.			trans	-71.9	149.7	172.2	-65.1	-174.6	13.9	0	0	109.7	A541	Q539-A541 PolarHBondContact O-N 3.11Å
540	S	61	Low	82.9	Confident	110 Å²	110	60 Å²	60	77%	0.769	36%	0.362	S	S	*	.	S	Bend	trans	-62.1	-24.7	179.7	-40.1	0	0	0	0	112.8
541	A	66.7	Low	82.8	Confident	72 Å²	72	60.3 Å²	60.3	60%	0.595	36%	0.364	S	S	*	.	S	Bend	trans	-135.3	129.8	175.6	0	0	0	0	0	110.3	Q539	Q539-A541 PolarHBondContact O-N 3.11Å
542	T	69.2	Low	82.8	Confident	46 Å²	46	63 Å²	63	28%	0.282	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-73	123.9	172.4	-54.6	0	0	0	0	108.6	K544 L573 Q574	T542-K544 PolarHBondContact O-N 3.28Å; T542-L573 WeakPolarHBondContact CG2-O 3.46Å; T542-Q574 PolarHBondContact OG1-NE2 3.4Å; T542-Q574 PolarHBondContact OG1-OE1 3.05Å
543	P	75.3	Confident	82.7	Confident	15 Å²	15	65.3 Å²	65.3	10%	0.097	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-59.1	131.2	173.7	22.6	-31.1	0	0	0	109.6	H575 H576 F620 P646	P543-H575 PolarHBondContact O-ND1 2.97Å; P543-H576 HydrophobicContact CG-CB 3.96Å; P543-F620 HydrophobicContact CB-CZ 4.03Å; P543-F620 HydrophobicContact CG-CZ 3.83Å; P543-P646 HydrophobicContact CB-CG 3.84Å
544	K	80.5	Confident	82.9	Confident	142 Å²	142	60.3 Å²	60.3	62%	0.617	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-64.8	147.8	175.3	-62.2	-173	-176	178.1	0	109.5	T542 D644	T542-K544 PolarHBondContact O-N 3.28Å; K544-D644 CarbonylContact C-O 3.52Å; K544-D644 VanDerWaalsContact C-O 3.23Å; K544-D644 WeakPolarHBondContact CB-O 3.31Å; K544-D644 VanDerWaalsContact CB-OD2 3.27Å; K544-D644 WeakPolarHBondContact CB-OD2 3.48Å; K544-D644 WeakPolarHBondContact CD-OD2 3.1Å
545	C	88.4	Confident	83.2	Confident	12 Å²	12	59.1 Å²	59.1	8%	0.081	33%	0.327	C	S	.	.			trans	-165	123.4	178.7	-171.9	0	0	0	0	109.4	I547 H575 F620 T643 I645	C545-I547 PolarHBondContact O-N 2.78Å; C545-H575 HydrophobicContact CB-CB 3.9Å; C545-F620 HydrophobicContact CB-CD1 4.41Å; C545-F620 HydrophobicContact CB-CE1 4.03Å; C545-T643 CarbonylContact C-O 3.59Å; C545-T643 WeakPolarHBondContact CA-O 3.28Å; C545-I645 HydrophobicContact CB-CG1 4.48Å
546	N	90.6	Very high	83.3	Confident	72 Å²	72	58.2 Å²	58.2	39%	0.385	33%	0.325	S	S	.	.			trans	-82.2	92.1	173.3	-71.3	-26.8	0	0	0	110.2	T623 E642 T643	N546-T623 WeakPolarHBondContact O-CG2 3.44Å; N546-E642 WeakPolarHBondContact CB-O 3.4Å; N546-E642 PolarHBondContact ND2-O 2.76Å; N546-T643 PolarHBondContact N-O 2.83Å
547	I	89.6	Confident	83.5	Confident	19 Å²	19	59 Å²	59	10%	0.097	33%	0.331	C	S	.	.			trans	-63.3	138.6	178.3	-59.6	164.3	0	0	0	111	C545 P551 R552 L573 H575 M622	C545-I547 PolarHBondContact O-N 2.78Å; I547-P551 HydrophobicContact CG2-CB 3.83Å; I547-R552 HydrophobicContact CB-CB 4.5Å; I547-R552 HydrophobicContact CG2-CB 4.34Å; I547-R552 PolarHBondContact O-NE 3.29Å; I547-R552 PolarHBondContact O-NH1 2.87Å; I547-R552 PolarHBondContact O-NH2 2.65Å; I547-L573 HydrophobicContact CD1-CD2 3.29Å; I547-H575 VanDerWaalsContact CD1-CD2 3.42Å; I547-H575 WeakPolarHBondContact CD1-CD2 3.48Å; I547-H575 VanDerWaalsContact CD1-NE2 3.3Å; I547-H575 WeakPolarHBondContact CD1-NE2 3.24Å; I547-M622 HydrophobicContact CG2-CE 4.35Å
548	P	90.3	Very high	84	Confident	15 Å²	15	56.7 Å²	56.7	10%	0.097	32%	0.315	C	S	.	.			trans	-55.2	155.4	175.8	-25.8	35.1	0	0	0	113.7	S550 P551 R552 M626	P548-S550 PolarHBondContact O-N 2.86Å; P548-P551 WeakPolarHBondContact O-CD 3.49Å; P548-R552 VanDerWaalsContact O-CB 3.28Å; P548-R552 WeakPolarHBondContact O-CB 3.44Å; P548-R552 PolarHBondContact O-N 3.24Å; P548-R552 VanDerWaalsContact O-N 3.1Å; P548-M626 HydrophobicContact CB-CB 4.37Å; P548-M626 HydrophobicContact CB-CG 4.43Å; P548-M626 HydrophobicContact CG-CB 3.82Å; P548-M626 HydrophobicContact CG-CG 3.91Å
549	P	88.8	Confident	85.1	Confident	97 Å²	97	57.5 Å²	57.5	63%	0.63	31%	0.312	S	S	*	.	H	α-helix	trans	-56.1	-42.8	-173.6	-28.3	35.7	0	0	0	115.2	R552 H553	P549-R552 PolarHBondContact O-N 3.38Å; P549-H553 WeakPolarHBondContact O-CB 3.47Å; P549-H553 PolarHBondContact O-N 2.7Å
550	S	88.7	Confident	86.3	Confident	63 Å²	63	61.2 Å²	61.2	44%	0.441	32%	0.321	S	S	.	.	H	α-helix	trans	-67	-51.4	-175.1	-28	0	0	0	0	113	P548 R552 H553 A554	P548-S550 PolarHBondContact O-N 2.86Å; S550-R552 VanDerWaalsContact C-N 3.3Å; S550-R552 PolarHBondContact O-N 3.37Å; S550-H553 PolarHBondContact O-N 2.9Å; S550-A554 PolarHBondContact O-N 3.3Å
551	P	90.8	Very high	87.8	Confident	31 Å²	31	57.5 Å²	57.5	20%	0.201	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-33.2	173.2	-21.6	33.2	0	0	0	113.4	I547 P548 A554 F555 M622	I547-P551 HydrophobicContact CG2-CB 3.83Å; P548-P551 WeakPolarHBondContact O-CD 3.49Å; P551-A554 PolarHBondContact O-N 3.43Å; P551-F555 PolarHBondContact O-N 3.14Å; P551-M622 HydrophobicContact CB-CE 4.44Å; P551-M622 HydrophobicContact CG-CE 4.22Å; P551-M622 HydrophobicContact CG-SD 4.21Å
552	R	91.3	Very high	89.2	Confident	108 Å²	108	54.6 Å²	54.6	41%	0.408	27%	0.265	S	S	.	.	H	α-helix	trans	-62.9	-44.5	175.6	-176.4	-174.8	-67.4	147.3	-8.5	111.4	I547 P548 P549 S550 F555 E556	I547-R552 HydrophobicContact CB-CB 4.5Å; I547-R552 HydrophobicContact CG2-CB 4.34Å; I547-R552 PolarHBondContact O-NE 3.29Å; I547-R552 PolarHBondContact O-NH1 2.87Å; I547-R552 PolarHBondContact O-NH2 2.65Å; P548-R552 VanDerWaalsContact O-CB 3.28Å; P548-R552 WeakPolarHBondContact O-CB 3.44Å; P548-R552 PolarHBondContact O-N 3.24Å; P548-R552 VanDerWaalsContact O-N 3.1Å; P549-R552 PolarHBondContact O-N 3.38Å; S550-R552 VanDerWaalsContact C-N 3.3Å; S550-R552 PolarHBondContact O-N 3.37Å; R552-F555 PolarHBondContact O-N 3.24Å; R552-E556 PolarHBondContact O-N 3.11Å
553	H	91.5	Very high	90.3	Very high	107 Å²	107	55.2 Å²	55.2	50%	0.495	27%	0.266	S	S	.	.	H	α-helix	trans	-60.4	-48.3	176.3	179.2	71.2	0	0	0	111.5	P549 S550 F555 E556 V557	P549-H553 WeakPolarHBondContact O-CB 3.47Å; P549-H553 PolarHBondContact O-N 2.7Å; S550-H553 PolarHBondContact O-N 2.9Å; H553-F555 VanDerWaalsContact C-N 3.29Å; H553-F555 PolarHBondContact O-N 3.5Å; H553-E556 PolarHBondContact O-N 2.94Å; H553-E556 VanDerWaalsContact O-N 3.13Å; H553-V557 WeakPolarHBondContact O-CG2 3.31Å; H553-V557 PolarHBondContact O-N 3.1Å
554	A	92	Very high	91.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57.9	-42.2	177.7	0	0	0	0	0	112	L521 V524 L526 S550 P551 V557 F558	L521-A554 HydrophobicContact CB-CB 4.35Å; L521-A554 HydrophobicContact CD2-CB 4.26Å; V524-A554 HydrophobicContact CB-CB 4.16Å; V524-A554 HydrophobicContact CG1-CB 4.16Å; L526-A554 HydrophobicContact CD2-CB 4.2Å; L526-A554 WeakPolarHBondContact CD2-O 3.48Å; S550-A554 PolarHBondContact O-N 3.3Å; P551-A554 PolarHBondContact O-N 3.43Å; A554-V557 PolarHBondContact O-N 3.4Å; A554-F558 PolarHBondContact O-N 3.48Å
555	F	92.5	Very high	91.6	Very high	28 Å²	28	57.1 Å²	57.1	12%	0.123	29%	0.29	C	S	.	.	H	α-helix	trans	-65.1	-40.3	175.7	177.6	-106.7	0	0	0	113	P551 R552 H553 V557 F558 R559 L573	P551-F555 PolarHBondContact O-N 3.14Å; R552-F555 PolarHBondContact O-N 3.24Å; H553-F555 VanDerWaalsContact C-N 3.29Å; H553-F555 PolarHBondContact O-N 3.5Å; F555-V557 VanDerWaalsContact C-N 3.33Å; F555-V557 PolarHBondContact O-N 3.45Å; F555-F558 PolarHBondContact O-N 2.93Å; F555-R559 WeakPolarHBondContact O-CB 3.3Å; F555-R559 PolarHBondContact O-N 3.49Å; F555-L573 HydrophobicContact CD1-CD2 4.11Å; F555-L573 HydrophobicContact CD2-CD1 4.21Å; F555-L573 HydrophobicContact CD2-CD2 4.34Å; F555-L573 HydrophobicContact CE1-CB 4.28Å; F555-L573 HydrophobicContact CE1-CD2 4.11Å; F555-L573 HydrophobicContact CE2-CD1 3.8Å; F555-L573 HydrophobicContact CE2-CD2 4.36Å; F555-L573 HydrophobicContact CE2-CG 4.48Å; F555-L573 HydrophobicContact CG-CD2 4.21Å; F555-L573 HydrophobicContact CZ-CB 4.02Å; F555-L573 HydrophobicContact CZ-CD1 4.11Å; F555-L573 HydrophobicContact CZ-CD2 4.24Å; F555-L573 HydrophobicContact CZ-CG 4.37Å
556	E	91.9	Very high	91.8	Very high	60 Å²	60	58.7 Å²	58.7	28%	0.28	30%	0.296	S	S	.	.	H	α-helix	trans	-66.2	-34.2	177.9	-76.5	-62.2	141.6	0	0	112.6	R552 H553 R559 R560	R552-E556 PolarHBondContact O-N 3.11Å; H553-E556 PolarHBondContact O-N 2.94Å; H553-E556 VanDerWaalsContact O-N 3.13Å; E556-R559 PolarHBondContact O-N 2.96Å; E556-R559 WeakPolarHBondContact OE1-CD 3.44Å; E556-R559 IonicContact OE1-NH1 3.56Å; E556-R559 PolarHBondContact OE1-NH1 3.46Å; E556-R559 IonicContact OE2-NH1 3.7Å; E556-R560 WeakPolarHBondContact O-CG 3.36Å; E556-R560 PolarHBondContact O-N 3.33Å
557	V	93.2	Very high	91.7	Very high	22 Å²	22	60.7 Å²	60.7	13%	0.133	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-48.8	170.6	174.7	0	0	0	0	110.6	F510 L514 V519 L521 H553 A554 F555 R559 R560 F561	F510-V557 HydrophobicContact CE2-CG1 4.21Å; F510-V557 HydrophobicContact CZ-CG1 4.16Å; L514-V557 HydrophobicContact CD2-CG1 4.3Å; V519-V557 HydrophobicContact CG1-CG1 3.9Å; V519-V557 HydrophobicContact CG1-CG2 4.39Å; L521-V557 HydrophobicContact CD2-CB 4.02Å; L521-V557 HydrophobicContact CD2-CG1 3.92Å; L521-V557 HydrophobicContact CD2-CG2 4.42Å; H553-V557 WeakPolarHBondContact O-CG2 3.31Å; H553-V557 PolarHBondContact O-N 3.1Å; A554-V557 PolarHBondContact O-N 3.4Å; F555-V557 VanDerWaalsContact C-N 3.33Å; F555-V557 PolarHBondContact O-N 3.45Å; V557-R559 VanDerWaalsContact C-N 3.35Å; V557-R559 PolarHBondContact O-N 2.96Å; V557-R560 PolarHBondContact O-N 2.85Å; V557-F561 PolarHBondContact O-N 3.4Å; V557-F561 VanDerWaalsContact O-N 3.17Å
558	F	94	Very high	91.7	Very high	2 Å²	2	64 Å²	64	1%	0.009	36%	0.355	C	S	.	.	H	α-helix	trans	-60.9	-42.8	175.3	176.3	-92.7	0	0	0	112.3	F510 L526 V528 V530 A554 F555 R560 F561 Y562	F510-F558 HydrophobicContact CB-CD2 4.4Å; F510-F558 HydrophobicContact CB-CE2 4.42Å; F510-F558 AromaticContact CD1-CD2 3.78Å; F510-F558 HydrophobicContact CD1-CD2 3.78Å; F510-F558 HydrophobicContact CD1-CE2 4.45Å; F510-F558 HydrophobicContact CD2-CD2 4.02Å; F510-F558 HydrophobicContact CE1-CB 4.22Å; F510-F558 AromaticContact CE1-CD2 3.93Å; F510-F558 HydrophobicContact CE1-CD2 3.93Å; F510-F558 HydrophobicContact CE2-CB 4.19Å; F510-F558 HydrophobicContact CE2-CD2 4.18Å; F510-F558 AromaticContact CG-CD2 3.8Å; F510-F558 HydrophobicContact CG-CD2 3.8Å; F510-F558 HydrophobicContact CG-CE2 4.3Å; F510-F558 HydrophobicContact CZ-CB 3.84Å; F510-F558 HydrophobicContact CZ-CD2 4.13Å; L526-F558 HydrophobicContact CD2-CB 3.92Å; V528-F558 HydrophobicContact CB-CD1 4.1Å; V528-F558 HydrophobicContact CB-CD2 4.31Å; V528-F558 HydrophobicContact CB-CE1 3.81Å; V528-F558 HydrophobicContact CB-CE2 4.03Å; V528-F558 HydrophobicContact CB-CG 4.35Å; V528-F558 HydrophobicContact CB-CZ 3.77Å; V528-F558 HydrophobicContact CG1-CD1 3.98Å; V528-F558 HydrophobicContact CG1-CE1 3.51Å; V528-F558 HydrophobicContact CG1-CZ 3.85Å; V528-F558 HydrophobicContact CG2-CB 4.43Å; V528-F558 HydrophobicContact CG2-CD1 3.82Å; V528-F558 HydrophobicContact CG2-CD2 4.04Å; V528-F558 HydrophobicContact CG2-CE1 4.08Å; V528-F558 HydrophobicContact CG2-CE2 4.27Å; V528-F558 HydrophobicContact CG2-CG 3.81Å; V528-F558 HydrophobicContact CG2-CZ 4.29Å; V530-F558 HydrophobicContact CG2-CE1 3.98Å; V530-F558 HydrophobicContact CG2-CZ 3.83Å; A554-F558 PolarHBondContact O-N 3.48Å; F555-F558 PolarHBondContact O-N 2.93Å; F558-R560 VanDerWaalsContact C-N 3.35Å; F558-R560 PolarHBondContact O-N 3.11Å; F558-F561 WeakPolarHBondContact O-CB 3.46Å; F558-F561 PolarHBondContact O-N 3.44Å; F558-Y562 HydrophobicContact CE1-CD2 4.5Å; F558-Y562 HydrophobicContact CZ-CD2 4.26Å; F558-Y562 WeakPolarHBondContact O-CB 3.2Å; F558-Y562 PolarHBondContact O-N 2.67Å
559	R	93.2	Very high	91.7	Very high	79 Å²	79	70.1 Å²	70.1	30%	0.298	38%	0.376	S	S	.	.	H	α-helix	trans	-59.6	-44.9	-179.7	-175.7	-176.6	-173.5	175	1.6	111.5	F555 E556 V557 Y562 L563 L571	F555-R559 WeakPolarHBondContact O-CB 3.3Å; F555-R559 PolarHBondContact O-N 3.49Å; E556-R559 PolarHBondContact O-N 2.96Å; E556-R559 WeakPolarHBondContact OE1-CD 3.44Å; E556-R559 IonicContact OE1-NH1 3.56Å; E556-R559 PolarHBondContact OE1-NH1 3.46Å; E556-R559 IonicContact OE2-NH1 3.7Å; V557-R559 VanDerWaalsContact C-N 3.35Å; V557-R559 PolarHBondContact O-N 2.96Å; R559-Y562 PolarHBondContact O-N 2.83Å; R559-L563 HydrophobicContact CG-CD1 3.87Å; R559-L563 HydrophobicContact CG-CG 4.4Å; R559-L563 WeakPolarHBondContact O-CB 3.23Å; R559-L563 VanDerWaalsContact O-CG 3.28Å; R559-L563 WeakPolarHBondContact O-CG 3.27Å; R559-L563 PolarHBondContact O-N 3.22Å; R559-L571 HydrophobicContact CG-CD1 4.18Å
560	R	92.6	Very high	91.8	Very high	186 Å²	186	73.3 Å²	73.3	70%	0.702	38%	0.382	S	S	*	.	H	α-helix	trans	-62.5	-46.3	176.7	-71.6	174.4	-174.5	-177.2	0.5	111.5	E556 V557 F558 Y562 L563 A564	E556-R560 WeakPolarHBondContact O-CG 3.36Å; E556-R560 PolarHBondContact O-N 3.33Å; V557-R560 PolarHBondContact O-N 2.85Å; F558-R560 VanDerWaalsContact C-N 3.35Å; F558-R560 PolarHBondContact O-N 3.11Å; R560-Y562 PolarHBondContact O-N 3.37Å; R560-L563 PolarHBondContact O-N 3.27Å; R560-A564 VanDerWaalsContact O-CB 3.31Å; R560-A564 WeakPolarHBondContact O-CB 3.35Å; R560-A564 PolarHBondContact O-N 3.46Å
561	F	93.9	Very high	91.9	Very high	31 Å²	31	71.7 Å²	71.7	14%	0.136	37%	0.368	C	S	.	.	H	α-helix	trans	-55.7	-49.4	174.5	164.7	-97.5	0	0	0	111.7	T506 E509 F510 H513 V557 F558 A564 K565	T506-F561 HydrophobicContact CG2-CE1 4.26Å; E509-F561 HydrophobicContact CB-CZ 4.18Å; F510-F561 HydrophobicContact CB-CD1 4.03Å; F510-F561 HydrophobicContact CB-CE1 3.66Å; F510-F561 HydrophobicContact CB-CZ 4.06Å; F510-F561 HydrophobicContact CD2-CB 3.92Å; F510-F561 AromaticContact CD2-CD1 3.5Å; F510-F561 HydrophobicContact CD2-CD1 3.5Å; F510-F561 HydrophobicContact CD2-CD2 4.15Å; F510-F561 HydrophobicContact CD2-CE1 4.01Å; F510-F561 AromaticContact CD2-CG 3.58Å; F510-F561 HydrophobicContact CD2-CG 3.58Å; F510-F561 HydrophobicContact CE2-CB 4.03Å; F510-F561 HydrophobicContact CE2-CD1 4.37Å; F510-F561 HydrophobicContact CE2-CG 4.2Å; F510-F561 HydrophobicContact CG-CD1 4.13Å; F510-F561 HydrophobicContact CG-CE1 4.27Å; H513-F561 HydrophobicContact CB-CD2 4.08Å; H513-F561 HydrophobicContact CB-CE2 3.83Å; H513-F561 AromaticContact CD2-CD2 3.62Å; H513-F561 AromaticContact CG-CD2 3.8Å; H513-F561 AromaticContact CG-CE2 3.98Å; V557-F561 PolarHBondContact O-N 3.4Å; V557-F561 VanDerWaalsContact O-N 3.17Å; F558-F561 WeakPolarHBondContact O-CB 3.46Å; F558-F561 PolarHBondContact O-N 3.44Å; F561-A564 PolarHBondContact O-N 2.87Å; F561-K565 PolarHBondContact O-N 3.33Å
562	Y	94.4	Very high	91.8	Very high	12 Å²	12	74.3 Å²	74.3	5%	0.047	38%	0.384	C	S	.	.	H	α-helix	trans	-65	-45.5	-177.7	-173.1	-88.8	0	0	0	112.4	T506 V530 F558 R559 R560 A564 K565 H566 R569 L571	T506-Y562 HydrophobicContact CG2-CD2 4.07Å; T506-Y562 HydrophobicContact CG2-CE2 4.29Å; V530-Y562 HydrophobicContact CB-CE2 4.31Å; V530-Y562 HydrophobicContact CG1-CE2 3.96Å; V530-Y562 HydrophobicContact CG2-CD2 4.19Å; V530-Y562 HydrophobicContact CG2-CE2 3.94Å; F558-Y562 HydrophobicContact CE1-CD2 4.5Å; F558-Y562 HydrophobicContact CZ-CD2 4.26Å; F558-Y562 WeakPolarHBondContact O-CB 3.2Å; F558-Y562 PolarHBondContact O-N 2.67Å; R559-Y562 PolarHBondContact O-N 2.83Å; R560-Y562 PolarHBondContact O-N 3.37Å; Y562-A564 VanDerWaalsContact C-N 3.35Å; Y562-K565 PolarHBondContact O-N 3.26Å; Y562-H566 HydrophobicContact CD1-CB 4.4Å; Y562-H566 AromaticContact CD2-CD2 3.8Å; Y562-H566 HydrophobicContact CE1-CB 4.01Å; Y562-H566 AromaticContact CE1-CD2 3.86Å; Y562-H566 AromaticContact CE2-CD2 3.46Å; Y562-H566 VanDerWaalsContact CE2-CD2 3.46Å; Y562-H566 WeakPolarHBondContact CE2-CD2 3.39Å; Y562-H566 AromaticContact CE2-NE2 3.94Å; Y562-H566 AromaticContact CZ-CD2 3.49Å; Y562-H566 VanDerWaalsContact CZ-CD2 3.49Å; Y562-H566 WeakPolarHBondContact O-CB 3.35Å; Y562-H566 PolarHBondContact O-N 3.46Å; Y562-R569 PolarHBondContact OH-NH1 2.98Å; Y562-L571 HydrophobicContact CD1-CD1 3.59Å; Y562-L571 HydrophobicContact CD1-CD2 3.88Å; Y562-L571 HydrophobicContact CD1-CG 3.87Å; Y562-L571 HydrophobicContact CE1-CD1 4.34Å; Y562-L571 HydrophobicContact CE1-CD2 3.77Å; Y562-L571 HydrophobicContact CE1-CG 4.19Å; Y562-L571 HydrophobicContact CG-CD1 3.9Å
563	L	94	Very high	91.6	Very high	58 Å²	58	72 Å²	72	30%	0.304	38%	0.379	S	S	.	.	H	α-helix	trans	-71.5	-28.4	-178.3	-67.7	177.6	0	0	0	112.9	R559 R560 K565 H566 R569	R559-L563 HydrophobicContact CG-CD1 3.87Å; R559-L563 HydrophobicContact CG-CG 4.4Å; R559-L563 WeakPolarHBondContact O-CB 3.23Å; R559-L563 VanDerWaalsContact O-CG 3.28Å; R559-L563 WeakPolarHBondContact O-CG 3.27Å; R559-L563 PolarHBondContact O-N 3.22Å; R560-L563 PolarHBondContact O-N 3.27Å; L563-K565 VanDerWaalsContact C-N 3.32Å; L563-H566 CarbonylContact O-C 3.46Å; L563-R569 WeakPolarHBondContact CD2-O 3.46Å
564	A	91.6	Very high	91.5	Very high	91 Å²	91	69 Å²	69	75%	0.752	37%	0.366	S	S	*	.	H	α-helix	trans	-64.9	-37.4	172.1	0	0	0	0	0	111.8	R560 F561 Y562	R560-A564 VanDerWaalsContact O-CB 3.31Å; R560-A564 WeakPolarHBondContact O-CB 3.35Å; R560-A564 PolarHBondContact O-N 3.46Å; F561-A564 PolarHBondContact O-N 2.87Å; Y562-A564 VanDerWaalsContact C-N 3.35Å
565	K	91.3	Very high	91.2	Very high	106 Å²	106	70.3 Å²	70.3	46%	0.461	37%	0.372	S	S	.	.	H	α-helix	trans	-82.9	-28.8	178	-170	169.5	-179.6	172	0	113.3	E509 F561 Y562 L563	E509-K565 IonicContact OE1-NZ 2.96Å; E509-K565 PolarHBondContact OE1-NZ 3.21Å; E509-K565 IonicContact OE2-NZ 3.7Å; E509-K565 PolarHBondContact OE2-NZ 3Å; F561-K565 PolarHBondContact O-N 3.33Å; Y562-K565 PolarHBondContact O-N 3.26Å; L563-K565 VanDerWaalsContact C-N 3.32Å
566	H	90.8	Very high	90.6	Very high	46 Å²	46	71.6 Å²	71.6	21%	0.213	38%	0.378	C	S	.	.	S	Bend	trans	-124.3	81.3	-176.4	-60.5	-65.3	0	0	0	111.7	Y562 L563 R569	Y562-H566 HydrophobicContact CD1-CB 4.4Å; Y562-H566 AromaticContact CD2-CD2 3.8Å; Y562-H566 HydrophobicContact CE1-CB 4.01Å; Y562-H566 AromaticContact CE1-CD2 3.86Å; Y562-H566 AromaticContact CE2-CD2 3.46Å; Y562-H566 VanDerWaalsContact CE2-CD2 3.46Å; Y562-H566 WeakPolarHBondContact CE2-CD2 3.39Å; Y562-H566 AromaticContact CE2-NE2 3.94Å; Y562-H566 AromaticContact CZ-CD2 3.49Å; Y562-H566 VanDerWaalsContact CZ-CD2 3.49Å; Y562-H566 WeakPolarHBondContact O-CB 3.35Å; Y562-H566 PolarHBondContact O-N 3.46Å; L563-H566 CarbonylContact O-C 3.46Å; H566-R569 HydrophobicContact CB-CG 4.21Å
567	S	89.8	Confident	90.1	Very high	113 Å²	113	72.2 Å²	72.2	79%	0.79	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	145.5	176	57	0	0	0	0	112	R569	S567-R569 VanDerWaalsContact C-N 3.31Å; S567-R569 PolarHBondContact O-N 3.34Å
568	G	88.8	Confident	89.7	Confident	90 Å²	90	72.5 Å²	72.5	93%	0.928	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	6.4	179	0	0	0	0	0	115.7
569	R	91.8	Very high	89.5	Confident	142 Å²	142	77.5 Å²	77.5	54%	0.536	42%	0.424	S	S	.	.			trans	-99.6	153.4	175.1	-60.9	-165.3	-177.2	-177.3	-3.2	112.1	Y562 L563 H566 S567	Y562-R569 PolarHBondContact OH-NH1 2.98Å; L563-R569 WeakPolarHBondContact CD2-O 3.46Å; H566-R569 HydrophobicContact CB-CG 4.21Å; S567-R569 VanDerWaalsContact C-N 3.31Å; S567-R569 PolarHBondContact O-N 3.34Å
570	Q	89.7	Confident	89.4	Confident	164 Å²	164	74.7 Å²	74.7	77%	0.766	42%	0.418	S	S	*	.			trans	-119.2	130.5	170.6	-173.2	179.7	10.6	0	0	109.6
571	L	90.5	Very high	89.5	Confident	29 Å²	29	69.7 Å²	69.7	15%	0.152	41%	0.405	C	S	.	.			trans	-96.3	130.6	173.4	-69.3	178.9	0	0	0	110.2	V530 R559 Y562	V530-L571 HydrophobicContact CG1-CD2 4.03Å; R559-L571 HydrophobicContact CG-CD1 4.18Å; Y562-L571 HydrophobicContact CD1-CD1 3.59Å; Y562-L571 HydrophobicContact CD1-CD2 3.88Å; Y562-L571 HydrophobicContact CD1-CG 3.87Å; Y562-L571 HydrophobicContact CE1-CD1 4.34Å; Y562-L571 HydrophobicContact CE1-CD2 3.77Å; Y562-L571 HydrophobicContact CE1-CG 4.19Å; Y562-L571 HydrophobicContact CG-CD1 3.9Å
572	T	88.9	Confident	89.4	Confident	87 Å²	87	69.7 Å²	69.7	53%	0.534	41%	0.407	S	S	.	.			trans	-120.9	121.2	172.4	-57.9	0	0	0	0	108.8
573	L	88.4	Confident	89.4	Confident	59 Å²	59	76 Å²	76	31%	0.309	44%	0.441	S	S	.	.			trans	-82.2	129.5	-177.2	-172.5	59.8	0	0	0	111.2	T542 I547 F555	T542-L573 WeakPolarHBondContact CG2-O 3.46Å; I547-L573 HydrophobicContact CD1-CD2 3.29Å; F555-L573 HydrophobicContact CD1-CD2 4.11Å; F555-L573 HydrophobicContact CD2-CD1 4.21Å; F555-L573 HydrophobicContact CD2-CD2 4.34Å; F555-L573 HydrophobicContact CE1-CB 4.28Å; F555-L573 HydrophobicContact CE1-CD2 4.11Å; F555-L573 HydrophobicContact CE2-CD1 3.8Å; F555-L573 HydrophobicContact CE2-CD2 4.36Å; F555-L573 HydrophobicContact CE2-CG 4.48Å; F555-L573 HydrophobicContact CG-CD2 4.21Å; F555-L573 HydrophobicContact CZ-CB 4.02Å; F555-L573 HydrophobicContact CZ-CD1 4.11Å; F555-L573 HydrophobicContact CZ-CD2 4.24Å; F555-L573 HydrophobicContact CZ-CG 4.37Å
574	Q	87.6	Confident	89.3	Confident	45 Å²	45	74 Å²	74	21%	0.21	43%	0.433	C	S	.	.			trans	-99.4	86.8	-179.6	-66.6	-61.9	-23.1	0	0	111.3	T542 H576 M577	T542-Q574 PolarHBondContact OG1-NE2 3.4Å; T542-Q574 PolarHBondContact OG1-OE1 3.05Å; Q574-H576 VanDerWaalsContact C-N 3.31Å; Q574-H576 PolarHBondContact O-N 2.91Å; Q574-H576 PolarHBondContact OE1-CE1 3.05Å; Q574-M577 HydrophobicContact CB-CB 4.39Å; Q574-M577 HydrophobicContact CB-CG 4.23Å; Q574-M577 HydrophobicContact CB-SD 3.92Å; Q574-M577 HydrophobicContact CG-SD 4.28Å; Q574-M577 PolarHBondContact O-N 3.45Å; Q574-M577 VanDerWaalsContact O-N 3.16Å
575	H	86	Confident	89.2	Confident	26 Å²	26	72.3 Å²	72.3	12%	0.12	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-55.9	-40.8	-173.8	-55	105.2	0	0	0	113.8	P543 C545 I547 M577 G578 T619 F620	P543-H575 PolarHBondContact O-ND1 2.97Å; C545-H575 HydrophobicContact CB-CB 3.9Å; I547-H575 VanDerWaalsContact CD1-CD2 3.42Å; I547-H575 WeakPolarHBondContact CD1-CD2 3.48Å; I547-H575 VanDerWaalsContact CD1-NE2 3.3Å; I547-H575 WeakPolarHBondContact CD1-NE2 3.24Å; H575-M577 PolarHBondContact O-N 2.85Å; H575-G578 PolarHBondContact O-N 3.49Å; H575-T619 HydrophobicContact CB-CG2 4.39Å; H575-T619 WeakPolarHBondContact O-CB 3.44Å; H575-T619 PolarHBondContact O-OG1 2.92Å; H575-F620 HydrophobicContact CB-CE1 3.83Å; H575-F620 HydrophobicContact CB-CZ 4.41Å
576	H	79.7	Confident	89.1	Confident	56 Å²	56	67.5 Å²	67.5	26%	0.259	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-67.9	-14.6	-176.8	69.5	-77.4	0	0	0	114.4	P543 Q574 F620	P543-H576 HydrophobicContact CG-CB 3.96Å; Q574-H576 VanDerWaalsContact C-N 3.31Å; Q574-H576 PolarHBondContact O-N 2.91Å; Q574-H576 PolarHBondContact OE1-CE1 3.05Å; H576-F620 HydrophobicContact CB-CE2 3.85Å; H576-F620 HydrophobicContact CB-CZ 3.85Å
577	M	81.3	Confident	88.8	Confident	73 Å²	73	71.3 Å²	71.3	36%	0.36	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-100.8	-3.7	-177.3	-58	177.1	67.5	0	0	113	L464 Q574 H575	L464-M577 HydrophobicContact CD1-CE 3.12Å; Q574-M577 HydrophobicContact CB-CB 4.39Å; Q574-M577 HydrophobicContact CB-CG 4.23Å; Q574-M577 HydrophobicContact CB-SD 3.92Å; Q574-M577 HydrophobicContact CG-SD 4.28Å; Q574-M577 PolarHBondContact O-N 3.45Å; Q574-M577 VanDerWaalsContact O-N 3.16Å; H575-M577 PolarHBondContact O-N 2.85Å
578	G	86.3	Confident	88.1	Confident	28 Å²	28	66 Å²	66	29%	0.289	37%	0.369	S	S	.	.			trans	-90	161.6	-177	0	0	0	0	0	114.1	H575 T619	H575-G578 PolarHBondContact O-N 3.49Å; G578-T619 VanDerWaalsContact CA-OG1 3.27Å; G578-T619 WeakPolarHBondContact CA-OG1 3.43Å; G578-T619 PolarHBondContact O-N 3.2Å; G578-T619 PolarHBondContact O-OG1 2.77Å
579	S	89.3	Confident	86.9	Confident	106 Å²	106	65 Å²	65	74%	0.741	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	153.7	172.6	59.3	0	0	0	0	110.3	V617	S579-V617 CarbonylContact C-O 3.3Å; S579-V617 VanDerWaalsContact CA-O 3.23Å; S579-V617 WeakPolarHBondContact CA-O 3.1Å; S579-V617 WeakPolarHBondContact CB-O 2.72Å
580	A	91.9	Very high	85.3	Confident	20 Å²	20	65 Å²	65	17%	0.165	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	150.7	176.7	0	0	0	0	0	110.7	V617 M622	A580-V617 HydrophobicContact CB-CG2 4.39Å; A580-V617 PolarHBondContact N-O 3.46Å; A580-V617 WeakPolarHBondContact O-CG2 3.47Å; A580-V617 PolarHBondContact O-N 2.75Å; A580-M622 HydrophobicContact CB-CB 4.17Å; A580-M622 HydrophobicContact CB-CG 4.21Å; A580-M622 HydrophobicContact CB-SD 3.49Å; A580-M622 WeakPolarHBondContact CB-SD 3.32Å
581	D	93.1	Very high	83.4	Confident	82 Å²	82	66.7 Å²	66.7	44%	0.439	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.6	167.7	-66.5	-57.5	0	0	0	108.5	I614 L615 Q616 R694	D581-I614 HydrophobicContact CB-CG2 3.99Å; D581-L615 CarbonylContact C-O 3.55Å; D581-L615 WeakPolarHBondContact CA-O 3.11Å; D581-Q616 WeakPolarHBondContact OD1-CB 3.29Å; D581-Q616 WeakPolarHBondContact OD1-CG 3.43Å; D581-Q616 PolarHBondContact OD1-NE2 3.16Å; D581-R694 IonicContact OD1-CZ 3.01Å; D581-R694 IonicContact OD1-NE 2.61Å; D581-R694 IonicContact OD1-NH2 2.82Å; D581-R694 PolarHBondContact OD1-NH2 2.77Å; D581-R694 IonicContact OD2-CZ 3.19Å; D581-R694 IonicContact OD2-NH2 3.99Å; D581-R694 PolarHBondContact OD2-NH2 3.03Å
582	L	93.3	Very high	81.3	Confident	31 Å²	31	73.2 Å²	73.2	16%	0.162	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.2	-178.3	-59.9	179	0	0	0	110.9	A584 I614 L615 V617 M622 L625	L582-A584 PolarHBondContact O-N 2.93Å; L582-I614 CarbonylContact O-C 3.57Å; L582-I614 WeakPolarHBondContact O-CA 3.46Å; L582-L615 HydrophobicContact CB-CB 4.44Å; L582-L615 PolarHBondContact N-O 3.39Å; L582-L615 PolarHBondContact O-N 3.49Å; L582-V617 HydrophobicContact CD1-CG2 3.81Å; L582-V617 HydrophobicContact CG-CG2 4.02Å; L582-M622 HydrophobicContact CD1-CB 4.17Å; L582-M622 HydrophobicContact CD1-CG 4.1Å; L582-M622 HydrophobicContact CD2-CG 3.98Å; L582-M622 HydrophobicContact CD2-SD 4.44Å; L582-M622 HydrophobicContact CG-CG 4.47Å; L582-L625 HydrophobicContact CD1-CB 4.29Å; L582-L625 HydrophobicContact CD1-CD1 4.05Å
583	N	92.7	Very high	79.4	Confident	143 Å²	143	78.2 Å²	78.2	77%	0.765	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	107.4	168.5	-68.3	-35.3	0	0	0	108.7
584	A	92.1	Very high	77.3	Confident	16 Å²	16	82.9 Å²	82.9	13%	0.132	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.7	179.2	0	0	0	0	0	110.6	L582 F586 K612 H613 L615	L582-A584 PolarHBondContact O-N 2.93Å; A584-F586 HydrophobicContact CB-CD2 4.46Å; A584-F586 HydrophobicContact CB-CE2 3.65Å; A584-F586 HydrophobicContact CB-CZ 3.98Å; A584-K612 WeakPolarHBondContact O-CA 3.42Å; A584-H613 PolarHBondContact N-O 3.37Å; A584-H613 PolarHBondContact O-N 3.13Å; A584-L615 HydrophobicContact CB-CD1 3.6Å; A584-L615 HydrophobicContact CB-CG 3.75Å
585	T	90.9	Very high	75.5	Confident	56 Å²	56	84.3 Å²	84.3	34%	0.344	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.1	174.1	-57.3	0	0	0	0	108.4	Y587 T610 R611 K612	T585-Y587 HydrophobicContact CG2-CE1 4.04Å; T585-Y587 HydrophobicContact CG2-CE2 4.3Å; T585-T610 HydrophobicContact CG2-CG2 3.33Å; T585-R611 WeakPolarHBondContact CA-O 3.2Å; T585-K612 HydrophobicContact CG2-CG 4.41Å
586	F	89.1	Confident	73.2	Confident	5 Å²	5	91.1 Å²	91.1	2%	0.022	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.4	177.8	-59.8	-87	0	0	0	109	A584 T610 R611 H613 L615 V666 V684 N685 F688	A584-F586 HydrophobicContact CB-CD2 4.46Å; A584-F586 HydrophobicContact CB-CE2 3.65Å; A584-F586 HydrophobicContact CB-CZ 3.98Å; F586-T610 CarbonylContact O-C 3.6Å; F586-T610 WeakPolarHBondContact O-CA 2.81Å; F586-R611 PolarHBondContact N-O 2.98Å; F586-R611 PolarHBondContact O-N 3.26Å; F586-H613 AromaticContact CD2-CD2 4Å; F586-H613 HydrophobicContact CE2-CB 4.44Å; F586-L615 HydrophobicContact CZ-CD1 4.43Å; F586-V666 HydrophobicContact CE1-CG1 4.02Å; F586-V666 HydrophobicContact CZ-CG1 3.92Å; F586-V684 HydrophobicContact CD1-CG1 4.37Å; F586-V684 HydrophobicContact CE1-CG1 4.3Å; F586-N685 WeakPolarHBondContact CD1-O 3.25Å; F586-F688 HydrophobicContact CD1-CB 3.98Å; F586-F688 HydrophobicContact CD2-CD1 4.02Å; F586-F688 HydrophobicContact CE1-CB 3.92Å; F586-F688 HydrophobicContact CE1-CD1 4.23Å; F586-F688 HydrophobicContact CE1-CG 4.3Å; F586-F688 AromaticContact CE2-CD1 3.58Å; F586-F688 HydrophobicContact CE2-CD1 3.58Å; F586-F688 HydrophobicContact CE2-CE1 4.19Å; F586-F688 HydrophobicContact CE2-CG 4.42Å; F586-F688 HydrophobicContact CG-CB 4.36Å; F586-F688 HydrophobicContact CZ-CB 4.25Å; F586-F688 AromaticContact CZ-CD1 3.69Å; F586-F688 HydrophobicContact CZ-CD1 3.69Å; F586-F688 HydrophobicContact CZ-CE1 4.4Å; F586-F688 HydrophobicContact CZ-CG 4.15Å
587	Y	84.5	Confident	71.3	Confident	127 Å²	127	97 Å²	97	50%	0.498	52%	0.52	S	S	.	.			trans	-96.3	-5.2	-170.1	-64.1	-82.5	0	0	0	113.9	T585 V605 T610 D686	T585-Y587 HydrophobicContact CG2-CE1 4.04Å; T585-Y587 HydrophobicContact CG2-CE2 4.3Å; Y587-V605 HydrophobicContact CD1-CG1 4.25Å; Y587-T610 HydrophobicContact CD1-CG2 4.25Å; Y587-T610 HydrophobicContact CE1-CG2 4.3Å; Y587-D686 PolarHBondContact N-OD1 3.45Å
588	G	74.1	Confident	69.4	Low	2 Å²	2	100 Å²	100	2%	0.021	54%	0.543	C	S	.	.			trans	78.2	179	179.8	0	0	0	0	0	112.9	I590 D686	G588-I590 PolarHBondContact O-N 3.2Å; G588-D686 WeakPolarHBondContact CA-O 3.49Å; G588-D686 PolarHBondContact N-O 3.49Å; G588-D686 VanDerWaalsContact N-O 3.13Å
589	P	64.9	Low	67	Low	67 Å²	67	101.5 Å²	101.5	44%	0.435	56%	0.558	S	S	.	*			trans	-63.3	125.7	176.9	25.4	-31.9	0	0	0	110.6	K591	P589-K591 PolarHBondContact O-N 3.29Å; P589-K591 VanDerWaalsContact O-N 3.13Å
590	I	58.1	Low	64.6	Low	143 Å²	143	104 Å²	104	73%	0.733	57%	0.568	S	S	*	*			trans	-66.3	108.9	169.9	-57.8	171.4	0	0	0	107.1	G588 K592	G588-I590 PolarHBondContact O-N 3.2Å; I590-K592 HydrophobicContact CG2-CG 4.39Å; I590-K592 PolarHBondContact O-N 3.43Å
591	K	48.3	Very low	61.9	Low	199 Å²	199	106.1 Å²	106.1	87%	0.865	59%	0.592	S	S	*	*			trans	-77.7	115.1	165.3	-72.7	-172.9	177.3	-175.3	0	107.4	P589	P589-K591 PolarHBondContact O-N 3.29Å; P589-K591 VanDerWaalsContact O-N 3.13Å
592	K	46.6	Very low	59.7	Low	166 Å²	166	106.7 Å²	106.7	72%	0.722	62%	0.617	S	S	*	*			trans	-91.1	127	160.2	-74.2	-171.6	173.3	-172.3	0	107.6	I590	I590-K592 HydrophobicContact CG2-CG 4.39Å; I590-K592 PolarHBondContact O-N 3.43Å
593	E	49.1	Very low	57	Low	193 Å²	193	109.7 Å²	109.7	90%	0.902	65%	0.646	S	S	*	*	S	Bend	trans	-69.6	124.5	160	-82	-179.3	157.9	0	0	107.5
594	D	45.5	Very low	54.6	Low	157 Å²	157	112 Å²	112	84%	0.84	65%	0.653	S	S	*	*	S	Bend	trans	60.8	124.4	174	-63.6	-19.3	0	0	0	119.7
595	G	49.8	Very low	52.3	Low	75 Å²	75	115.9 Å²	115.9	77%	0.773	67%	0.674	S	S	*	*			trans	-74.3	124	-170.4	0	0	0	0	0	114.2
596	L	36.3	Very low	50	Low	169 Å²	169	119.3 Å²	119.3	89%	0.885	70%	0.696	S	S	*	*			trans	-166	149	146.8	-104.1	137.3	0	0	0	109.7
597	E	40.9	Very low	47.9	Very low	178 Å²	178	122.6 Å²	122.6	83%	0.832	73%	0.731	S	S	*	*			trans	-78.8	157.9	-167.7	-63.6	-173.7	143.6	0	0	115.4
598	V	40.1	Very low	46.3	Very low	138 Å²	138	121.5 Å²	121.5	84%	0.836	74%	0.742	S	S	*	*			trans	68.4	125.9	162	-153.2	0	0	0	0	119.5
599	G	35.8	Very low	45.9	Very low	59 Å²	59	125.2 Å²	125.2	61%	0.608	76%	0.761	S	S	*	*			trans	114.3	108.5	145	0	0	0	0	0	117.1
600	V	39.7	Very low	46.4	Very low	158 Å²	158	124.9 Å²	124.9	96%	0.958	76%	0.758	S	S	*	*			trans	43.8	122.9	143.9	-162.7	0	0	0	0	119.1
601	G	34.5	Very low	47.6	Very low	65 Å²	65	122.2 Å²	122.2	67%	0.67	74%	0.739	S	S	*	*			trans	145.6	122.1	152.9	0	0	0	0	0	112.4	A603	G601-A603 PolarHBondContact O-N 2.84Å
602	G	47.5	Very low	49.6	Very low	93 Å²	93	119.5 Å²	119.5	96%	0.959	73%	0.727	S	S	*	*			trans	-53.4	130.2	177.6	0	0	0	0	0	111.6
603	A	37.4	Very low	51.7	Low	94 Å²	94	112.3 Å²	112.3	78%	0.777	70%	0.696	S	S	*	*			trans	-139.6	139.2	171.8	0	0	0	0	0	110	G601	G601-A603 PolarHBondContact O-N 2.84Å
604	Q	41.5	Very low	53.8	Low	193 Å²	193	104.9 Å²	104.9	90%	0.902	66%	0.662	S	S	*	*			trans	-60.1	132.8	-166	-70.2	168.7	-36.8	0	0	113.4	T606	Q604-T606 PolarHBondContact O-N 3.01Å
605	V	43.3	Very low	56	Low	96 Å²	96	97.6 Å²	97.6	58%	0.582	62%	0.623	S	S	*	*			trans	-71	105.4	172.4	-176.8	0	0	0	0	109	Y587 G607	Y587-V605 HydrophobicContact CD1-CG1 4.25Å; V605-G607 PolarHBondContact O-N 3.28Å
606	T	42.8	Very low	58	Low	129 Å²	129	96.7 Å²	96.7	79%	0.791	60%	0.598	S	S	*	*			trans	-68	110.1	166.8	52.4	0	0	0	0	108.9	Q604 S608	Q604-T606 PolarHBondContact O-N 3.01Å; T606-S608 VanDerWaalsContact C-N 3.34Å; T606-S608 PolarHBondContact O-N 3.49Å
607	G	44.8	Very low	60.7	Low	73 Å²	73	88.9 Å²	88.9	75%	0.753	56%	0.558	S	S	*	*	S	Bend	trans	-73	51.3	-161.3	0	0	0	0	0	118.6	V605	V605-G607 PolarHBondContact O-N 3.28Å
608	S	52.2	Low	63	Low	105 Å²	105	81.6 Å²	81.6	73%	0.734	53%	0.526	S	S	*	.	S	Bend	trans	-104.2	-11.3	178.8	-174.9	0	0	0	0	116.1	T606	T606-S608 VanDerWaalsContact C-N 3.34Å; T606-S608 PolarHBondContact O-N 3.49Å
609	N	64.3	Low	65.4	Low	80 Å²	80	75.9 Å²	75.9	43%	0.428	49%	0.492	S	S	.	.			trans	-132.9	17.2	-172.9	-90.2	-21.2	0	0	0	115.5	R611	N609-R611 PolarHBondContact O-N 3.2Å
610	T	76.5	Confident	68.1	Low	60 Å²	60	73.6 Å²	73.6	37%	0.368	47%	0.465	S	S	.	.			trans	-70.1	119.7	177.4	-51.6	0	0	0	0	111	T585 F586 Y587	T585-T610 HydrophobicContact CG2-CG2 3.33Å; F586-T610 CarbonylContact O-C 3.6Å; F586-T610 WeakPolarHBondContact O-CA 2.81Å; Y587-T610 HydrophobicContact CD1-CG2 4.25Å; Y587-T610 HydrophobicContact CE1-CG2 4.3Å
611	R	83.9	Confident	70.6	Confident	87 Å²	87	66.1 Å²	66.1	33%	0.328	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.3	-179.2	-64.6	177.1	-177.3	143	-1.6	110	T585 F586 N609	T585-R611 WeakPolarHBondContact CA-O 3.2Å; F586-R611 PolarHBondContact N-O 2.98Å; F586-R611 PolarHBondContact O-N 3.26Å; N609-R611 PolarHBondContact O-N 3.2Å
612	K	88.9	Confident	73.4	Confident	141 Å²	141	63.8 Å²	63.8	61%	0.613	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.9	177.7	-63.7	-176.8	-179.7	-179.1	0	109.7	A584 T585 H693	A584-K612 WeakPolarHBondContact O-CA 3.42Å; T585-K612 HydrophobicContact CG2-CG 4.41Å; K612-H693 PolarHBondContact O-CD2 3.43Å
613	H	91.1	Very high	75.5	Confident	15 Å²	15	59.6 Å²	59.6	7%	0.069	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	150.6	177.3	-69.6	-70.8	0	0	0	110.4	A584 F586 L615 F688 L692 H693 V695	A584-H613 PolarHBondContact N-O 3.37Å; A584-H613 PolarHBondContact O-N 3.13Å; F586-H613 AromaticContact CD2-CD2 4Å; F586-H613 HydrophobicContact CE2-CB 4.44Å; H613-L615 HydrophobicContact CB-CD2 4.33Å; H613-F688 AromaticContact CD2-CE1 3.88Å; H613-L692 PolarHBondContact ND1-O 3.17Å; H613-H693 WeakPolarHBondContact CA-O 3.45Å; H613-H693 PolarHBondContact ND1-O 3.49Å; H613-V695 HydrophobicContact CB-CG2 4.44Å
614	I	92.6	Very high	78.2	Confident	38 Å²	38	55.1 Å²	55.1	20%	0.195	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	111.7	167.7	-60.8	173.1	0	0	0	107.6	D581 L582 H693 R694 V695	D581-I614 HydrophobicContact CB-CG2 3.99Å; L582-I614 CarbonylContact O-C 3.57Å; L582-I614 WeakPolarHBondContact O-CA 3.46Å; I614-H693 PolarHBondContact N-O 2.81Å; I614-R694 HydrophobicContact CB-CB 4.41Å; I614-R694 HydrophobicContact CB-CG 4.1Å; I614-R694 HydrophobicContact CG2-CG 4.06Å; I614-R694 CarbonylContact O-C 3.58Å; I614-R694 WeakPolarHBondContact O-CA 3.38Å; I614-V695 PolarHBondContact O-N 3.4Å
615	L	93.2	Very high	80.7	Confident	3 Å²	3	46.8 Å²	46.8	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	117.4	178.2	-55.2	-178.7	0	0	0	109.8	D581 L582 A584 F586 H613 V617 L625 V666 V695 I697	D581-L615 CarbonylContact C-O 3.55Å; D581-L615 WeakPolarHBondContact CA-O 3.11Å; L582-L615 HydrophobicContact CB-CB 4.44Å; L582-L615 PolarHBondContact N-O 3.39Å; L582-L615 PolarHBondContact O-N 3.49Å; A584-L615 HydrophobicContact CB-CD1 3.6Å; A584-L615 HydrophobicContact CB-CG 3.75Å; F586-L615 HydrophobicContact CZ-CD1 4.43Å; H613-L615 HydrophobicContact CB-CD2 4.33Å; L615-V617 HydrophobicContact CB-CG1 4.11Å; L615-L625 HydrophobicContact CD1-CD1 4.22Å; L615-V666 HydrophobicContact CD1-CG1 4.02Å; L615-V666 HydrophobicContact CD1-CG2 4.03Å; L615-V666 HydrophobicContact CD2-CG2 4.31Å; L615-V695 WeakPolarHBondContact CA-O 3.4Å; L615-V695 HydrophobicContact CD2-CB 4.07Å; L615-I697 HydrophobicContact CD2-CD1 4.48Å
616	Q	91.4	Very high	83	Confident	56 Å²	56	45.2 Å²	45.2	26%	0.262	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.9	168.8	-37.5	-157.8	-80.7	0	0	109	D581 R694 V695 K696 I697	D581-Q616 WeakPolarHBondContact OD1-CB 3.29Å; D581-Q616 WeakPolarHBondContact OD1-CG 3.43Å; D581-Q616 PolarHBondContact OD1-NE2 3.16Å; Q616-R694 HydrophobicContact CG-CG 3.85Å; Q616-R694 VanDerWaalsContact NE2-NH2 3.19Å; Q616-V695 PolarHBondContact N-O 3.34Å; Q616-K696 HydrophobicContact CB-CB 4.44Å; Q616-K696 HydrophobicContact CB-CG 4.36Å; Q616-I697 PolarHBondContact O-N 3.44Å
617	V	91.6	Very high	85.4	Confident	5 Å²	5	39.6 Å²	39.6	3%	0.03	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	160.1	-171.4	-67.2	0	0	0	0	111	S579 A580 L582 L615 Q621 M622 L625 I697	S579-V617 CarbonylContact C-O 3.3Å; S579-V617 VanDerWaalsContact CA-O 3.23Å; S579-V617 WeakPolarHBondContact CA-O 3.1Å; S579-V617 WeakPolarHBondContact CB-O 2.72Å; A580-V617 HydrophobicContact CB-CG2 4.39Å; A580-V617 PolarHBondContact N-O 3.46Å; A580-V617 WeakPolarHBondContact O-CG2 3.47Å; A580-V617 PolarHBondContact O-N 2.75Å; L582-V617 HydrophobicContact CD1-CG2 3.81Å; L582-V617 HydrophobicContact CG-CG2 4.02Å; L615-V617 HydrophobicContact CB-CG1 4.11Å; V617-Q621 HydrophobicContact CB-CB 3.77Å; V617-Q621 HydrophobicContact CG1-CB 4.23Å; V617-M622 HydrophobicContact CG2-CB 3.97Å; V617-L625 HydrophobicContact CG1-CD1 4.11Å; V617-I697 HydrophobicContact CG1-CB 4.04Å; V617-I697 HydrophobicContact CG1-CG1 3.9Å
618	S	90.6	Very high	87.6	Confident	25 Å²	25	37 Å²	37	18%	0.175	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	162.6	165.5	62.2	0	0	0	0	111.2	F620 Q621 M622	S618-F620 VanDerWaalsContact C-N 3.28Å; S618-F620 PolarHBondContact O-N 3.25Å; S618-Q621 PolarHBondContact O-N 3.16Å; S618-Q621 WeakPolarHBondContact OG-CB 3.3Å; S618-Q621 VanDerWaalsContact OG-CD 3.25Å; S618-Q621 VanDerWaalsContact OG-CG 3.28Å; S618-Q621 WeakPolarHBondContact OG-CG 3.48Å; S618-Q621 PolarHBondContact OG-N 3.47Å; S618-Q621 PolarHBondContact OG-OE1 3.03Å; S618-M622 PolarHBondContact O-N 3.17Å
619	T	90.2	Very high	89.4	Confident	19 Å²	19	37.6 Å²	37.6	12%	0.117	19%	0.187	C	C	.	.	H	α-helix	trans	-58.3	-37.1	176.9	-57.9	0	0	0	0	113.1	H575 G578 M622 T623	H575-T619 HydrophobicContact CB-CG2 4.39Å; H575-T619 WeakPolarHBondContact O-CB 3.44Å; H575-T619 PolarHBondContact O-OG1 2.92Å; G578-T619 VanDerWaalsContact CA-OG1 3.27Å; G578-T619 WeakPolarHBondContact CA-OG1 3.43Å; G578-T619 PolarHBondContact O-N 3.2Å; G578-T619 PolarHBondContact O-OG1 2.77Å; T619-M622 HydrophobicContact CG2-CE 4.18Å; T619-M622 PolarHBondContact O-N 3.39Å; T619-T623 WeakPolarHBondContact O-CB 3.33Å; T619-T623 PolarHBondContact O-N 3.47Å; T619-T623 PolarHBondContact O-OG1 2.87Å
620	F	91.6	Very high	90.6	Very high	11 Å²	11	40.8 Å²	40.8	5%	0.048	20%	0.204	C	C	.	.	H	α-helix	trans	-65.2	-48	175.7	-65.1	-31.6	0	0	0	111.8	P543 C545 H575 H576 S618 M622 T623 I624 I645 E649 A653	P543-F620 HydrophobicContact CB-CZ 4.03Å; P543-F620 HydrophobicContact CG-CZ 3.83Å; C545-F620 HydrophobicContact CB-CD1 4.41Å; C545-F620 HydrophobicContact CB-CE1 4.03Å; H575-F620 HydrophobicContact CB-CE1 3.83Å; H575-F620 HydrophobicContact CB-CZ 4.41Å; H576-F620 HydrophobicContact CB-CE2 3.85Å; H576-F620 HydrophobicContact CB-CZ 3.85Å; S618-F620 VanDerWaalsContact C-N 3.28Å; S618-F620 PolarHBondContact O-N 3.25Å; F620-M622 VanDerWaalsContact C-N 3.31Å; F620-M622 PolarHBondContact O-N 3.36Å; F620-T623 PolarHBondContact O-N 3Å; F620-T623 VanDerWaalsContact O-N 3.17Å; F620-I624 VanDerWaalsContact O-CG1 3.32Å; F620-I624 WeakPolarHBondContact O-CG1 3.35Å; F620-I624 PolarHBondContact O-N 3.44Å; F620-I645 HydrophobicContact CB-CD1 3.97Å; F620-I645 HydrophobicContact CD1-CD1 3.83Å; F620-I645 HydrophobicContact CD1-CG1 3.93Å; F620-I645 HydrophobicContact CD1-CG2 4.22Å; F620-I645 HydrophobicContact CE1-CG1 4.35Å; F620-I645 HydrophobicContact CE1-CG2 4.4Å; F620-I645 HydrophobicContact CG-CD1 4.16Å; F620-I645 HydrophobicContact CG-CG2 4.34Å; F620-E649 HydrophobicContact CD2-CB 4.17Å; F620-E649 HydrophobicContact CE2-CB 3.85Å; F620-E649 HydrophobicContact CE2-CG 4.14Å; F620-A653 HydrophobicContact CB-CB 4.24Å
621	Q	92.3	Very high	91.1	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-60.2	-40.6	175.5	-73.1	165.2	-31.1	0	0	111.9	V617 S618 I624 L625 A653 S656 L657	V617-Q621 HydrophobicContact CB-CB 3.77Å; V617-Q621 HydrophobicContact CG1-CB 4.23Å; S618-Q621 PolarHBondContact O-N 3.16Å; S618-Q621 WeakPolarHBondContact OG-CB 3.3Å; S618-Q621 VanDerWaalsContact OG-CD 3.25Å; S618-Q621 VanDerWaalsContact OG-CG 3.28Å; S618-Q621 WeakPolarHBondContact OG-CG 3.48Å; S618-Q621 PolarHBondContact OG-N 3.47Å; S618-Q621 PolarHBondContact OG-OE1 3.03Å; Q621-I624 PolarHBondContact O-N 2.89Å; Q621-L625 WeakPolarHBondContact O-CB 3.44Å; Q621-L625 VanDerWaalsContact O-CG 3.28Å; Q621-L625 WeakPolarHBondContact O-CG 3.33Å; Q621-L625 PolarHBondContact O-N 2.92Å; Q621-A653 HydrophobicContact CG-CB 4.17Å; Q621-S656 PolarHBondContact NE2-OG 3.26Å; Q621-L657 HydrophobicContact CB-CD1 4.23Å; Q621-L657 HydrophobicContact CB-CD2 4.37Å; Q621-L657 HydrophobicContact CG-CD1 4.1Å; Q621-L657 HydrophobicContact CG-CD2 4.25Å; Q621-L657 HydrophobicContact CG-CG 4.11Å
622	M	93.4	Very high	91.1	Very high	15 Å²	15	47 Å²	47	7%	0.074	23%	0.228	C	C	.	.	H	α-helix	trans	-58.6	-48.9	173.6	170.5	-171	79.2	0	0	111.4	I547 P551 A580 L582 V617 S618 T619 F620 I624 L625 M626	I547-M622 HydrophobicContact CG2-CE 4.35Å; P551-M622 HydrophobicContact CB-CE 4.44Å; P551-M622 HydrophobicContact CG-CE 4.22Å; P551-M622 HydrophobicContact CG-SD 4.21Å; A580-M622 HydrophobicContact CB-CB 4.17Å; A580-M622 HydrophobicContact CB-CG 4.21Å; A580-M622 HydrophobicContact CB-SD 3.49Å; A580-M622 WeakPolarHBondContact CB-SD 3.32Å; L582-M622 HydrophobicContact CD1-CB 4.17Å; L582-M622 HydrophobicContact CD1-CG 4.1Å; L582-M622 HydrophobicContact CD2-CG 3.98Å; L582-M622 HydrophobicContact CD2-SD 4.44Å; L582-M622 HydrophobicContact CG-CG 4.47Å; V617-M622 HydrophobicContact CG2-CB 3.97Å; S618-M622 PolarHBondContact O-N 3.17Å; T619-M622 HydrophobicContact CG2-CE 4.18Å; T619-M622 PolarHBondContact O-N 3.39Å; F620-M622 VanDerWaalsContact C-N 3.31Å; F620-M622 PolarHBondContact O-N 3.36Å; M622-I624 VanDerWaalsContact C-N 3.28Å; M622-I624 PolarHBondContact O-N 3.47Å; M622-L625 PolarHBondContact O-N 3.12Å; M622-M626 HydrophobicContact CG-CG 4.25Å; M622-M626 VanDerWaalsContact O-CG 3.23Å; M622-M626 WeakPolarHBondContact O-CG 3.27Å; M622-M626 PolarHBondContact O-N 3.34Å
623	T	93.1	Very high	91.2	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-40.5	-177	-55.1	0	0	0	0	111	N546 T619 F620 T643	N546-T623 WeakPolarHBondContact O-CG2 3.44Å; T619-T623 WeakPolarHBondContact O-CB 3.33Å; T619-T623 PolarHBondContact O-N 3.47Å; T619-T623 PolarHBondContact O-OG1 2.87Å; F620-T623 PolarHBondContact O-N 3Å; F620-T623 VanDerWaalsContact O-N 3.17Å; T623-T643 HydrophobicContact CG2-CG2 3.78Å
624	I	93.8	Very high	91.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.4	-50.7	174.6	-64.6	161.7	0	0	0	111.2	F620 Q621 M622 M626 I627 F628 I639 T643 I645 L650 A653 L654 L657 L667	F620-I624 VanDerWaalsContact O-CG1 3.32Å; F620-I624 WeakPolarHBondContact O-CG1 3.35Å; F620-I624 PolarHBondContact O-N 3.44Å; Q621-I624 PolarHBondContact O-N 2.89Å; M622-I624 VanDerWaalsContact C-N 3.28Å; M622-I624 PolarHBondContact O-N 3.47Å; I624-M626 VanDerWaalsContact C-N 3.26Å; I624-M626 PolarHBondContact O-N 3.31Å; I624-I627 WeakPolarHBondContact O-CB 3.3Å; I624-I627 PolarHBondContact O-N 2.87Å; I624-F628 HydrophobicContact CG2-CE2 4.24Å; I624-F628 WeakPolarHBondContact O-CD2 3.29Å; I624-I639 HydrophobicContact CG1-CG2 4.05Å; I624-I639 HydrophobicContact CG2-CG2 4.29Å; I624-T643 HydrophobicContact CG1-CG2 4.44Å; I624-I645 HydrophobicContact CG1-CD1 4.31Å; I624-L650 HydrophobicContact CD1-CD1 3.7Å; I624-L650 HydrophobicContact CG1-CD1 4.09Å; I624-A653 HydrophobicContact CD1-CB 3.63Å; I624-L654 HydrophobicContact CD1-CD2 4.25Å; I624-L654 HydrophobicContact CD1-CG 4.22Å; I624-L654 HydrophobicContact CG2-CD2 3.8Å; I624-L657 HydrophobicContact CB-CD1 4.35Å; I624-L657 HydrophobicContact CD1-CD1 4.38Å; I624-L657 HydrophobicContact CG2-CD1 4.06Å; I624-L667 HydrophobicContact CG2-CD1 4.33Å
625	L	93.8	Very high	91.3	Very high	19 Å²	19	48.4 Å²	48.4	10%	0.099	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-32.7	-176	-73.1	172.9	0	0	0	112.7	L582 L615 V617 Q621 M622 I627 F628 L657 V666 L667	L582-L625 HydrophobicContact CD1-CB 4.29Å; L582-L625 HydrophobicContact CD1-CD1 4.05Å; L615-L625 HydrophobicContact CD1-CD1 4.22Å; V617-L625 HydrophobicContact CG1-CD1 4.11Å; Q621-L625 WeakPolarHBondContact O-CB 3.44Å; Q621-L625 VanDerWaalsContact O-CG 3.28Å; Q621-L625 WeakPolarHBondContact O-CG 3.33Å; Q621-L625 PolarHBondContact O-N 2.92Å; M622-L625 PolarHBondContact O-N 3.12Å; L625-I627 PolarHBondContact O-N 3.44Å; L625-F628 PolarHBondContact O-N 3.03Å; L625-L657 HydrophobicContact CD1-CD2 4.08Å; L625-L657 HydrophobicContact CD2-CD1 4.49Å; L625-L657 HydrophobicContact CD2-CD2 4.24Å; L625-L657 HydrophobicContact CG-CD1 4.38Å; L625-L657 HydrophobicContact CG-CD2 4.27Å; L625-V666 HydrophobicContact CD2-CG1 3.74Å; L625-L667 HydrophobicContact CD2-CD2 4.15Å; L625-L667 HydrophobicContact CD2-CG 4.29Å
626	M	91.8	Very high	91.3	Very high	62 Å²	62	48.3 Å²	48.3	31%	0.305	24%	0.235	S	C	.	.	H	α-helix	trans	-67.6	-22	-179.2	-71.9	-63.8	-65.5	0	0	113.8	P548 M622 I624 F628 N629	P548-M626 HydrophobicContact CB-CB 4.37Å; P548-M626 HydrophobicContact CB-CG 4.43Å; P548-M626 HydrophobicContact CG-CB 3.82Å; P548-M626 HydrophobicContact CG-CG 3.91Å; M622-M626 HydrophobicContact CG-CG 4.25Å; M622-M626 VanDerWaalsContact O-CG 3.23Å; M622-M626 WeakPolarHBondContact O-CG 3.27Å; M622-M626 PolarHBondContact O-N 3.34Å; I624-M626 VanDerWaalsContact C-N 3.26Å; I624-M626 PolarHBondContact O-N 3.31Å; M626-F628 VanDerWaalsContact C-N 3.27Å; M626-F628 PolarHBondContact O-N 3.37Å; M626-N629 PolarHBondContact O-N 3.24Å; M626-N629 PolarHBondContact O-ND2 3.5Å; M626-N629 PolarHBondContact SD-ND2 2.94Å; M626-N629 VanDerWaalsContact SD-ND2 3.44Å
627	I	92	Very high	91.4	Very high	11 Å²	11	48.5 Å²	48.5	6%	0.056	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-38.6	174.8	-64.7	172.4	0	0	0	110.5	I624 L625 N629 N630 R631 I639 E642 T643	I624-I627 WeakPolarHBondContact O-CB 3.3Å; I624-I627 PolarHBondContact O-N 2.87Å; L625-I627 PolarHBondContact O-N 3.44Å; I627-N629 PolarHBondContact O-N 2.81Å; I627-N629 VanDerWaalsContact O-N 3.13Å; I627-N630 PolarHBondContact O-N 3.27Å; I627-R631 PolarHBondContact O-N 3.31Å; I627-I639 HydrophobicContact CD1-CG2 4.28Å; I627-E642 HydrophobicContact CD1-CB 4.36Å; I627-E642 HydrophobicContact CD1-CG 4.32Å; I627-T643 HydrophobicContact CD1-CG2 3.56Å
628	F	92.6	Very high	91.4	Very high	20 Å²	20	51.5 Å²	51.5	9%	0.088	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-5	-175	-66.7	-81.6	0	0	0	114.6	I624 L625 M626 R631 I639 L667 F682 V684	I624-F628 HydrophobicContact CG2-CE2 4.24Å; I624-F628 WeakPolarHBondContact O-CD2 3.29Å; L625-F628 PolarHBondContact O-N 3.03Å; M626-F628 VanDerWaalsContact C-N 3.27Å; M626-F628 PolarHBondContact O-N 3.37Å; F628-R631 CarbonylContact C-O 3.6Å; F628-R631 VanDerWaalsContact CA-O 3.27Å; F628-R631 WeakPolarHBondContact CA-O 3.46Å; F628-I639 HydrophobicContact CZ-CD1 4.36Å; F628-L667 HydrophobicContact CD2-CD2 4.07Å; F628-L667 HydrophobicContact CE2-CD1 3.98Å; F628-L667 HydrophobicContact CE2-CD2 3.87Å; F628-L667 HydrophobicContact CZ-CD1 4.37Å; F628-L667 HydrophobicContact CZ-CD2 4.15Å; F628-F682 WeakPolarHBondContact CE1-O 3.4Å; F628-F682 HydrophobicContact CZ-CB 3.91Å; F628-V684 HydrophobicContact CB-CG2 3.56Å; F628-V684 HydrophobicContact CD1-CG2 3.88Å; F628-V684 HydrophobicContact CG-CG2 3.81Å
629	N	90	Very high	91.5	Very high	116 Å²	116	50.3 Å²	50.3	62%	0.62	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-24.1	168.7	-67.5	-44.8	0	0	0	112.2	M626 I627	M626-N629 PolarHBondContact O-N 3.24Å; M626-N629 PolarHBondContact O-ND2 3.5Å; M626-N629 PolarHBondContact SD-ND2 2.94Å; M626-N629 VanDerWaalsContact SD-ND2 3.44Å; I627-N629 PolarHBondContact O-N 2.81Å; I627-N629 VanDerWaalsContact O-N 3.13Å
630	N	88.4	Confident	91.6	Very high	147 Å²	147	52 Å²	52	79%	0.786	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-10.7	-177.5	-61.5	-26.3	0	0	0	112.9	I627	I627-N630 PolarHBondContact O-N 3.27Å
631	R	87.8	Confident	91.6	Very high	97 Å²	97	59.1 Å²	59.1	37%	0.366	28%	0.281	S	S	.	.			trans	-137.8	135.9	-177.9	-61.7	-171.7	-172.9	155.5	17	111	I627 F628 E642	I627-R631 PolarHBondContact O-N 3.31Å; F628-R631 CarbonylContact C-O 3.6Å; F628-R631 VanDerWaalsContact CA-O 3.27Å; F628-R631 WeakPolarHBondContact CA-O 3.46Å; R631-E642 IonicContact CZ-OE2 3.77Å; R631-E642 IonicContact NH1-OE2 2.63Å; R631-E642 PolarHBondContact NH1-OE2 3.46Å; R631-E642 IonicContact NH2-OE1 3.71Å; R631-E642 IonicContact NH2-OE2 3.83Å; R631-E642 PolarHBondContact NH2-OE2 2.76Å
632	E	84.3	Confident	91.5	Very high	180 Å²	180	62.7 Å²	62.7	84%	0.841	30%	0.298	S	S	*	.	S	Bend	trans	-74.9	-33.6	175.7	-64.8	-179.1	171.5	0	0	112.6
633	K	90.5	Very high	91.4	Very high	144 Å²	144	62 Å²	62	63%	0.626	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.7	-179.4	65.5	-175.9	177.6	-179.8	0	111.5	V681 F682 T683	K633-V681 HydrophobicContact CB-CG1 4.17Å; K633-F682 WeakPolarHBondContact CA-O 3.41Å; K633-T683 HydrophobicContact CB-CG2 3.6Å
634	S	91.8	Very high	91.4	Very high	2 Å²	2	65 Å²	65	1%	0.014	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	143.7	173.3	-62.8	0	0	0	0	111.4	E638 F682	S634-E638 WeakPolarHBondContact CA-OE2 3.36Å; S634-F682 PolarHBondContact N-O 3.47Å; S634-F682 PolarHBondContact O-N 3.29Å
635	M	93.5	Very high	91.2	Very high	79 Å²	79	65.1 Å²	65.1	39%	0.389	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	158.3	175.1	-64.1	-173.8	-70.9	0	0	111.4	E637 E638 I639 H680 V681	M635-E637 VanDerWaalsContact C-N 3.29Å; M635-E637 PolarHBondContact O-N 3Å; M635-E638 HydrophobicContact CB-CG 4.09Å; M635-E638 HydrophobicContact CE-CG 4.14Å; M635-E638 WeakPolarHBondContact CE-OE1 3.34Å; M635-E638 PolarHBondContact N-OE2 3.03Å; M635-E638 PolarHBondContact O-N 3.06Å; M635-I639 WeakPolarHBondContact O-CG1 3.45Å; M635-I639 PolarHBondContact O-N 3.49Å; M635-H680 WeakPolarHBondContact CA-O 3.22Å; M635-V681 HydrophobicContact CG-CG2 4.17Å
636	F	92.8	Very high	91	Very high	1 Å²	1	66.8 Å²	66.8	0%	0.004	32%	0.323	C	S	.	.	H	α-helix	trans	-52.1	-46.6	178.5	178	-97.5	0	0	0	112.8	E638 I639 Q640 E647 L650 V651 L654 I676 N678 H680 F682	F636-E638 PolarHBondContact O-N 3.34Å; F636-I639 PolarHBondContact O-N 3.19Å; F636-Q640 WeakPolarHBondContact O-CB 3.41Å; F636-Q640 PolarHBondContact O-N 3.31Å; F636-E647 HydrophobicContact CE1-CG 4.37Å; F636-E647 HydrophobicContact CZ-CG 4Å; F636-L650 HydrophobicContact CD2-CD2 4.35Å; F636-L650 HydrophobicContact CE2-CD2 3.77Å; F636-L650 HydrophobicContact CE2-CG 3.89Å; F636-L650 HydrophobicContact CZ-CD2 3.89Å; F636-L650 HydrophobicContact CZ-CG 4.33Å; F636-V651 HydrophobicContact CE2-CG2 3.94Å; F636-V651 HydrophobicContact CZ-CG2 4.01Å; F636-L654 HydrophobicContact CD2-CD1 3.67Å; F636-L654 HydrophobicContact CE2-CD1 3.91Å; F636-I676 HydrophobicContact CD2-CG2 3.6Å; F636-I676 HydrophobicContact CE2-CG2 3.67Å; F636-N678 WeakPolarHBondContact CD1-OD1 3.47Å; F636-N678 WeakPolarHBondContact CE1-OD1 3.36Å; F636-H680 PolarHBondContact N-O 3.4Å; F636-F682 HydrophobicContact CB-CE2 4.2Å; F636-F682 HydrophobicContact CD2-CE2 4.43Å
637	E	93.4	Very high	90.8	Very high	59 Å²	59	69 Å²	69	28%	0.276	33%	0.333	S	S	.	.	H	α-helix	trans	-67	-37.2	-178.2	-59.6	87.9	161.6	0	0	112	M635 Q640 Q641 N678 G679	M635-E637 VanDerWaalsContact C-N 3.29Å; M635-E637 PolarHBondContact O-N 3Å; E637-Q640 PolarHBondContact O-N 2.92Å; E637-Q641 WeakPolarHBondContact O-CB 3.28Å; E637-Q641 VanDerWaalsContact O-CG 3.3Å; E637-Q641 WeakPolarHBondContact O-CG 3.44Å; E637-Q641 PolarHBondContact O-N 3.49Å; E637-N678 WeakPolarHBondContact OE1-CA 3.46Å; E637-N678 VanDerWaalsContact OE1-CB 3.25Å; E637-N678 WeakPolarHBondContact OE1-CB 3.39Å; E637-G679 PolarHBondContact OE1-N 3.07Å; E637-G679 PolarHBondContact OE2-N 3.32Å
638	E	91.9	Very high	90.5	Very high	69 Å²	69	75.2 Å²	75.2	32%	0.322	36%	0.355	S	S	.	.	H	α-helix	trans	-66.3	-43.6	176.7	-63.3	175.4	151.9	0	0	110.7	S634 M635 F636 Q640 Q641 E642	S634-E638 WeakPolarHBondContact CA-OE2 3.36Å; M635-E638 HydrophobicContact CB-CG 4.09Å; M635-E638 HydrophobicContact CE-CG 4.14Å; M635-E638 WeakPolarHBondContact CE-OE1 3.34Å; M635-E638 PolarHBondContact N-OE2 3.03Å; M635-E638 PolarHBondContact O-N 3.06Å; F636-E638 PolarHBondContact O-N 3.34Å; E638-Q640 VanDerWaalsContact C-N 3.31Å; E638-Q640 PolarHBondContact O-N 3.31Å; E638-Q641 PolarHBondContact O-N 2.94Å; E638-E642 WeakPolarHBondContact O-CB 3.44Å; E638-E642 PolarHBondContact O-N 2.96Å
639	I	92.4	Very high	90.1	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-62.8	-42.7	174.8	-62.1	168.2	0	0	0	109.4	I624 I627 F628 M635 F636 T643 L650 L654 F682	I624-I639 HydrophobicContact CG1-CG2 4.05Å; I624-I639 HydrophobicContact CG2-CG2 4.29Å; I627-I639 HydrophobicContact CD1-CG2 4.28Å; F628-I639 HydrophobicContact CZ-CD1 4.36Å; M635-I639 WeakPolarHBondContact O-CG1 3.45Å; M635-I639 PolarHBondContact O-N 3.49Å; F636-I639 PolarHBondContact O-N 3.19Å; I639-T643 HydrophobicContact CG2-CG2 4.09Å; I639-T643 VanDerWaalsContact O-CB 3.29Å; I639-T643 WeakPolarHBondContact O-CB 3.38Å; I639-T643 VanDerWaalsContact O-CG2 3.25Å; I639-T643 WeakPolarHBondContact O-CG2 3.49Å; I639-T643 PolarHBondContact O-N 3.32Å; I639-T643 PolarHBondContact O-OG1 2.83Å; I639-L650 HydrophobicContact CG2-CD1 3.83Å; I639-L654 HydrophobicContact CD1-CD2 4.26Å; I639-F682 HydrophobicContact CD1-CB 4.27Å; I639-F682 HydrophobicContact CD1-CD2 3.82Å; I639-F682 HydrophobicContact CD1-CG 4.28Å
640	Q	92.6	Very high	90.1	Very high	54 Å²	54	71.2 Å²	71.2	25%	0.252	33%	0.333	S	S	.	.	H	α-helix	trans	-62.7	-47.5	179.1	-169	177.1	24.2	0	0	112.2	F636 E637 E638 D644 L650	F636-Q640 WeakPolarHBondContact O-CB 3.41Å; F636-Q640 PolarHBondContact O-N 3.31Å; E637-Q640 PolarHBondContact O-N 2.92Å; E638-Q640 VanDerWaalsContact C-N 3.31Å; E638-Q640 PolarHBondContact O-N 3.31Å; Q640-D644 WeakPolarHBondContact O-CA 3.49Å; Q640-D644 PolarHBondContact O-N 2.9Å; Q640-L650 HydrophobicContact CB-CD2 3.52Å; Q640-L650 HydrophobicContact CG-CD2 3.82Å
641	Q	91.4	Very high	90.1	Very high	160 Å²	160	65.6 Å²	65.6	75%	0.748	30%	0.304	S	S	*	.	H	α-helix	trans	-64.6	-42.2	179.7	-73.4	178.2	9.3	0	0	112.3	E637 E638	E637-Q641 WeakPolarHBondContact O-CB 3.28Å; E637-Q641 VanDerWaalsContact O-CG 3.3Å; E637-Q641 WeakPolarHBondContact O-CG 3.44Å; E637-Q641 PolarHBondContact O-N 3.49Å; E638-Q641 PolarHBondContact O-N 2.94Å
642	E	90.9	Very high	90.1	Very high	77 Å²	77	64.4 Å²	64.4	36%	0.36	30%	0.3	S	S	.	.	H	α-helix	trans	-74.1	-40.7	-177.2	-171.9	164.7	169	0	0	112.1	N546 I627 R631 E638	N546-E642 WeakPolarHBondContact CB-O 3.4Å; N546-E642 PolarHBondContact ND2-O 2.76Å; I627-E642 HydrophobicContact CD1-CB 4.36Å; I627-E642 HydrophobicContact CD1-CG 4.32Å; R631-E642 IonicContact CZ-OE2 3.77Å; R631-E642 IonicContact NH1-OE2 2.63Å; R631-E642 PolarHBondContact NH1-OE2 3.46Å; R631-E642 IonicContact NH2-OE1 3.71Å; R631-E642 IonicContact NH2-OE2 3.83Å; R631-E642 PolarHBondContact NH2-OE2 2.76Å; E638-E642 WeakPolarHBondContact O-CB 3.44Å; E638-E642 PolarHBondContact O-N 2.96Å
643	T	91.4	Very high	90.3	Very high	1 Å²	1	56 Å²	56	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-83.3	-20.9	-179.3	66.1	0	0	0	0	113.9	C545 N546 T623 I624 I627 I639 I645	C545-T643 CarbonylContact C-O 3.59Å; C545-T643 WeakPolarHBondContact CA-O 3.28Å; N546-T643 PolarHBondContact N-O 2.83Å; T623-T643 HydrophobicContact CG2-CG2 3.78Å; I624-T643 HydrophobicContact CG1-CG2 4.44Å; I627-T643 HydrophobicContact CD1-CG2 3.56Å; I639-T643 HydrophobicContact CG2-CG2 4.09Å; I639-T643 VanDerWaalsContact O-CB 3.29Å; I639-T643 WeakPolarHBondContact O-CB 3.38Å; I639-T643 VanDerWaalsContact O-CG2 3.25Å; I639-T643 WeakPolarHBondContact O-CG2 3.49Å; I639-T643 PolarHBondContact O-N 3.32Å; I639-T643 PolarHBondContact O-OG1 2.83Å; T643-I645 HydrophobicContact CG2-CD1 4.26Å; T643-I645 PolarHBondContact O-N 2.86Å; T643-I645 WeakPolarHBondContact OG1-CG1 3.39Å
644	D	91.9	Very high	90.3	Very high	67 Å²	67	49.2 Å²	49.2	36%	0.358	23%	0.231	S	C	.	.			trans	52.4	28.2	-172.7	-163.3	32	0	0	0	113.2	K544 Q640	K544-D644 CarbonylContact C-O 3.52Å; K544-D644 VanDerWaalsContact C-O 3.23Å; K544-D644 WeakPolarHBondContact CB-O 3.31Å; K544-D644 VanDerWaalsContact CB-OD2 3.27Å; K544-D644 WeakPolarHBondContact CB-OD2 3.48Å; K544-D644 WeakPolarHBondContact CD-OD2 3.1Å; Q640-D644 WeakPolarHBondContact O-CA 3.49Å; Q640-D644 PolarHBondContact O-N 2.9Å
645	I	90.4	Very high	90.2	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	24%	0.242	C	C	.	.			trans	-81.4	133.5	178.3	-63.5	168.8	0	0	0	109	C545 F620 I624 T643 E647 E649 L650	C545-I645 HydrophobicContact CB-CG1 4.48Å; F620-I645 HydrophobicContact CB-CD1 3.97Å; F620-I645 HydrophobicContact CD1-CD1 3.83Å; F620-I645 HydrophobicContact CD1-CG1 3.93Å; F620-I645 HydrophobicContact CD1-CG2 4.22Å; F620-I645 HydrophobicContact CE1-CG1 4.35Å; F620-I645 HydrophobicContact CE1-CG2 4.4Å; F620-I645 HydrophobicContact CG-CD1 4.16Å; F620-I645 HydrophobicContact CG-CG2 4.34Å; I624-I645 HydrophobicContact CG1-CD1 4.31Å; T643-I645 HydrophobicContact CG2-CD1 4.26Å; T643-I645 PolarHBondContact O-N 2.86Å; T643-I645 WeakPolarHBondContact OG1-CG1 3.39Å; I645-E647 PolarHBondContact O-N 2.62Å; I645-E649 HydrophobicContact CG2-CB 4.07Å; I645-L650 HydrophobicContact CB-CB 4.3Å; I645-L650 HydrophobicContact CG2-CB 3.9Å
646	P	89.4	Confident	89.9	Confident	54 Å²	54	47.9 Å²	47.9	35%	0.351	22%	0.224	S	C	.	.			trans	-56.4	138.9	174.7	-26.1	34.8	0	0	0	112.6	P543 R648 E649 L650	P543-P646 HydrophobicContact CB-CG 3.84Å; P646-R648 VanDerWaalsContact C-N 3.31Å; P646-R648 PolarHBondContact O-N 2.77Å; P646-R648 VanDerWaalsContact O-N 3.14Å; P646-E649 PolarHBondContact O-N 2.91Å; P646-L650 PolarHBondContact O-N 3.03Å
647	E	87.7	Confident	89.8	Confident	110 Å²	110	47.8 Å²	47.8	51%	0.514	22%	0.224	S	C	.	.	H	α-helix	trans	-49.5	-47.1	-171.9	-166.3	-176.4	155.4	0	0	113.3	F636 I645 E649 L650 V651	F636-E647 HydrophobicContact CE1-CG 4.37Å; F636-E647 HydrophobicContact CZ-CG 4Å; I645-E647 PolarHBondContact O-N 2.62Å; E647-E649 VanDerWaalsContact C-N 3.33Å; E647-E649 PolarHBondContact O-N 2.75Å; E647-L650 PolarHBondContact O-N 3.2Å; E647-V651 WeakPolarHBondContact O-CB 3.46Å; E647-V651 WeakPolarHBondContact O-CG2 3.46Å; E647-V651 PolarHBondContact O-N 3.39Å
648	R	85.1	Confident	89.6	Confident	140 Å²	140	45.4 Å²	45.4	53%	0.528	21%	0.214	S	C	.	.	H	α-helix	trans	-56.8	-43.2	178.9	-176	-177.9	179.3	-157.4	-4.1	112.8	P646 R652 E710	P646-R648 VanDerWaalsContact C-N 3.31Å; P646-R648 PolarHBondContact O-N 2.77Å; P646-R648 VanDerWaalsContact O-N 3.14Å; R648-R652 WeakPolarHBondContact O-CG 3.36Å; R648-R652 PolarHBondContact O-N 3.31Å; R648-E710 IonicContact CZ-OE1 3.64Å; R648-E710 IonicContact NH2-OE1 3.81Å; R648-E710 PolarHBondContact NH2-OE1 3.24Å
649	E	85.3	Confident	89.2	Confident	53 Å²	53	43.9 Å²	43.9	25%	0.248	21%	0.211	C	C	.	.	H	α-helix	trans	-79.6	-34	-178.7	-65.9	-57	130.3	0	0	111.3	F620 I645 P646 E647 R652 A653	F620-E649 HydrophobicContact CD2-CB 4.17Å; F620-E649 HydrophobicContact CE2-CB 3.85Å; F620-E649 HydrophobicContact CE2-CG 4.14Å; I645-E649 HydrophobicContact CG2-CB 4.07Å; P646-E649 PolarHBondContact O-N 2.91Å; E647-E649 VanDerWaalsContact C-N 3.33Å; E647-E649 PolarHBondContact O-N 2.75Å; E649-R652 PolarHBondContact O-N 3.29Å; E649-R652 IonicContact OE1-CZ 2.76Å; E649-R652 IonicContact OE1-NH1 3.61Å; E649-R652 PolarHBondContact OE1-NH1 3.36Å; E649-A653 WeakPolarHBondContact O-CB 3.36Å; E649-A653 PolarHBondContact O-N 2.95Å
650	L	89.2	Confident	88.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-47.1	174.4	179.5	58.4	0	0	0	111.5	I624 F636 I639 Q640 I645 P646 E647 R652 A653 L654	I624-L650 HydrophobicContact CD1-CD1 3.7Å; I624-L650 HydrophobicContact CG1-CD1 4.09Å; F636-L650 HydrophobicContact CD2-CD2 4.35Å; F636-L650 HydrophobicContact CE2-CD2 3.77Å; F636-L650 HydrophobicContact CE2-CG 3.89Å; F636-L650 HydrophobicContact CZ-CD2 3.89Å; F636-L650 HydrophobicContact CZ-CG 4.33Å; I639-L650 HydrophobicContact CG2-CD1 3.83Å; Q640-L650 HydrophobicContact CB-CD2 3.52Å; Q640-L650 HydrophobicContact CG-CD2 3.82Å; I645-L650 HydrophobicContact CB-CB 4.3Å; I645-L650 HydrophobicContact CG2-CB 3.9Å; P646-L650 PolarHBondContact O-N 3.03Å; E647-L650 PolarHBondContact O-N 3.2Å; L650-R652 VanDerWaalsContact C-N 3.35Å; L650-R652 PolarHBondContact O-N 3.01Å; L650-A653 PolarHBondContact O-N 3.01Å; L650-L654 HydrophobicContact CD1-CD1 3.78Å; L650-L654 HydrophobicContact CD1-CG 4.03Å; L650-L654 HydrophobicContact CG-CD1 3.86Å; L650-L654 HydrophobicContact CG-CG 4.49Å; L650-L654 WeakPolarHBondContact O-CB 3.37Å; L650-L654 WeakPolarHBondContact O-CG 3.32Å; L650-L654 PolarHBondContact O-N 2.99Å
651	V	89.6	Confident	87.9	Confident	28 Å²	28	48.7 Å²	48.7	17%	0.17	24%	0.236	C	C	.	.	H	α-helix	trans	-56.8	-47.9	175.1	165.9	0	0	0	0	110.7	F636 E647 A653 L654 Q655 I676	F636-V651 HydrophobicContact CE2-CG2 3.94Å; F636-V651 HydrophobicContact CZ-CG2 4.01Å; E647-V651 WeakPolarHBondContact O-CB 3.46Å; E647-V651 WeakPolarHBondContact O-CG2 3.46Å; E647-V651 PolarHBondContact O-N 3.39Å; V651-A653 PolarHBondContact O-N 3.22Å; V651-L654 PolarHBondContact O-N 3.47Å; V651-Q655 HydrophobicContact CG1-CG 4.28Å; V651-Q655 VanDerWaalsContact O-CB 3.3Å; V651-Q655 WeakPolarHBondContact O-CB 3.32Å; V651-Q655 VanDerWaalsContact O-CG 3.24Å; V651-Q655 WeakPolarHBondContact O-CG 3.47Å; V651-Q655 PolarHBondContact O-N 2.8Å; V651-I676 HydrophobicContact CG1-CB 4.19Å; V651-I676 HydrophobicContact CG2-CB 4.37Å; V651-I676 HydrophobicContact CG2-CG2 4.2Å
652	R	86.9	Confident	87.3	Confident	73 Å²	73	45.6 Å²	45.6	28%	0.275	23%	0.23	S	C	.	.	H	α-helix	trans	-61	-43.1	178	-74.9	170.9	168.7	-180	-10	112.5	R648 E649 L650 S656	R648-R652 WeakPolarHBondContact O-CG 3.36Å; R648-R652 PolarHBondContact O-N 3.31Å; E649-R652 PolarHBondContact O-N 3.29Å; E649-R652 IonicContact OE1-CZ 2.76Å; E649-R652 IonicContact OE1-NH1 3.61Å; E649-R652 PolarHBondContact OE1-NH1 3.36Å; L650-R652 VanDerWaalsContact C-N 3.35Å; L650-R652 PolarHBondContact O-N 3.01Å; R652-S656 PolarHBondContact O-N 3.23Å; R652-S656 PolarHBondContact O-OG 3.19Å
653	A	89	Confident	86.7	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.033	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-48.6	178.2	0	0	0	0	0	111.1	F620 Q621 I624 E649 L650 V651 Q655 S656 L657	F620-A653 HydrophobicContact CB-CB 4.24Å; Q621-A653 HydrophobicContact CG-CB 4.17Å; I624-A653 HydrophobicContact CD1-CB 3.63Å; E649-A653 WeakPolarHBondContact O-CB 3.36Å; E649-A653 PolarHBondContact O-N 2.95Å; L650-A653 PolarHBondContact O-N 3.01Å; V651-A653 PolarHBondContact O-N 3.22Å; A653-Q655 PolarHBondContact O-N 3Å; A653-S656 PolarHBondContact O-N 3.17Å; A653-S656 PolarHBondContact O-OG 3.08Å; A653-L657 WeakPolarHBondContact O-CG 3.26Å; A653-L657 PolarHBondContact O-N 3.28Å
654	L	90.8	Very high	86.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66	-36.4	178.4	-71.3	169.4	0	0	0	112.4	I624 F636 I639 L650 V651 S656 L657 A658 L667 I676 F682	I624-L654 HydrophobicContact CD1-CD2 4.25Å; I624-L654 HydrophobicContact CD1-CG 4.22Å; I624-L654 HydrophobicContact CG2-CD2 3.8Å; F636-L654 HydrophobicContact CD2-CD1 3.67Å; F636-L654 HydrophobicContact CE2-CD1 3.91Å; I639-L654 HydrophobicContact CD1-CD2 4.26Å; L650-L654 HydrophobicContact CD1-CD1 3.78Å; L650-L654 HydrophobicContact CD1-CG 4.03Å; L650-L654 HydrophobicContact CG-CD1 3.86Å; L650-L654 HydrophobicContact CG-CG 4.49Å; L650-L654 WeakPolarHBondContact O-CB 3.37Å; L650-L654 WeakPolarHBondContact O-CG 3.32Å; L650-L654 PolarHBondContact O-N 2.99Å; V651-L654 PolarHBondContact O-N 3.47Å; L654-S656 VanDerWaalsContact C-N 3.29Å; L654-S656 PolarHBondContact O-N 2.71Å; L654-L657 PolarHBondContact O-N 2.92Å; L654-L657 VanDerWaalsContact O-N 3.11Å; L654-A658 WeakPolarHBondContact O-CB 3.38Å; L654-A658 PolarHBondContact O-N 3.22Å; L654-L667 HydrophobicContact CD2-CD1 4.3Å; L654-I676 VanDerWaalsContact C-CD1 3.43Å; L654-I676 HydrophobicContact CB-CD1 3.31Å; L654-I676 HydrophobicContact CD1-CG2 4.38Å; L654-F682 HydrophobicContact CB-CE1 4.18Å; L654-F682 HydrophobicContact CB-CZ 4.23Å; L654-F682 HydrophobicContact CD1-CE1 4.45Å; L654-F682 HydrophobicContact CD1-CE2 3.94Å; L654-F682 HydrophobicContact CD1-CZ 3.85Å; L654-F682 HydrophobicContact CD2-CD1 4.17Å; L654-F682 HydrophobicContact CD2-CE1 4.13Å; L654-F682 HydrophobicContact CD2-CE2 4.49Å; L654-F682 HydrophobicContact CD2-CG 4.36Å; L654-F682 HydrophobicContact CD2-CZ 4.3Å; L654-F682 HydrophobicContact CG-CZ 4.37Å
655	Q	88.9	Confident	86.1	Confident	52 Å²	52	48.3 Å²	48.3	24%	0.243	24%	0.241	C	C	.	.	I	π-helix	trans	-59.2	-43.1	175.3	-82.7	177.1	-15.8	0	0	111	V651 A653 L657 C659 G660 I676 V700	V651-Q655 HydrophobicContact CG1-CG 4.28Å; V651-Q655 VanDerWaalsContact O-CB 3.3Å; V651-Q655 WeakPolarHBondContact O-CB 3.32Å; V651-Q655 VanDerWaalsContact O-CG 3.24Å; V651-Q655 WeakPolarHBondContact O-CG 3.47Å; V651-Q655 PolarHBondContact O-N 2.8Å; A653-Q655 PolarHBondContact O-N 3Å; Q655-L657 VanDerWaalsContact C-N 3.31Å; Q655-L657 PolarHBondContact O-N 2.89Å; Q655-C659 CarbonylContact O-C 3.53Å; Q655-C659 WeakPolarHBondContact O-CA 3.36Å; Q655-C659 WeakPolarHBondContact O-CB 3.41Å; Q655-C659 PolarHBondContact O-N 2.99Å; Q655-G660 PolarHBondContact O-N 3.38Å; Q655-I676 HydrophobicContact CB-CD1 4.2Å; Q655-I676 HydrophobicContact CG-CD1 3.59Å; Q655-I676 HydrophobicContact CG-CG1 3.83Å; Q655-V700 HydrophobicContact CB-CG2 4.08Å
656	S	87.3	Confident	86.1	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.007	24%	0.242	C	C	.	.	I	π-helix	trans	-67.9	-29.6	177.2	63.5	0	0	0	0	113.7	Q621 R652 A653 L654 Q698	Q621-S656 PolarHBondContact NE2-OG 3.26Å; R652-S656 PolarHBondContact O-N 3.23Å; R652-S656 PolarHBondContact O-OG 3.19Å; A653-S656 PolarHBondContact O-N 3.17Å; A653-S656 PolarHBondContact O-OG 3.08Å; L654-S656 VanDerWaalsContact C-N 3.29Å; L654-S656 PolarHBondContact O-N 2.71Å; S656-Q698 WeakPolarHBondContact CB-O 3.37Å
657	L	90.3	Very high	86.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.225	C	C	.	.	I	π-helix	trans	-84.5	-34.5	-179.1	-67.9	170	0	0	0	113.4	Q621 I624 L625 A653 L654 Q655 R665 V666 L667 I697	Q621-L657 HydrophobicContact CB-CD1 4.23Å; Q621-L657 HydrophobicContact CB-CD2 4.37Å; Q621-L657 HydrophobicContact CG-CD1 4.1Å; Q621-L657 HydrophobicContact CG-CD2 4.25Å; Q621-L657 HydrophobicContact CG-CG 4.11Å; I624-L657 HydrophobicContact CB-CD1 4.35Å; I624-L657 HydrophobicContact CD1-CD1 4.38Å; I624-L657 HydrophobicContact CG2-CD1 4.06Å; L625-L657 HydrophobicContact CD1-CD2 4.08Å; L625-L657 HydrophobicContact CD2-CD1 4.49Å; L625-L657 HydrophobicContact CD2-CD2 4.24Å; L625-L657 HydrophobicContact CG-CD1 4.38Å; L625-L657 HydrophobicContact CG-CD2 4.27Å; A653-L657 WeakPolarHBondContact O-CG 3.26Å; A653-L657 PolarHBondContact O-N 3.28Å; L654-L657 PolarHBondContact O-N 2.92Å; L654-L657 VanDerWaalsContact O-N 3.11Å; Q655-L657 VanDerWaalsContact C-N 3.31Å; Q655-L657 PolarHBondContact O-N 2.89Å; L657-R665 CarbonylContact O-C 3.54Å; L657-R665 WeakPolarHBondContact O-CA 3.49Å; L657-V666 PolarHBondContact O-N 3.4Å; L657-L667 HydrophobicContact CB-CB 4.47Å; L657-L667 HydrophobicContact CB-CD1 3.9Å; L657-L667 HydrophobicContact CB-CG 4.15Å; L657-L667 HydrophobicContact CD1-CD1 4.09Å; L657-L667 PolarHBondContact O-N 3.5Å; L657-I697 HydrophobicContact CD2-CG2 4.12Å
658	A	88.9	Confident	86.3	Confident	9 Å²	9	43.1 Å²	43.1	7%	0.074	22%	0.216	C	C	.	.	I	π-helix	trans	-113.1	-35.3	-171.9	0	0	0	0	0	114.4	L654 L667 K669 F682	L654-A658 WeakPolarHBondContact O-CB 3.38Å; L654-A658 PolarHBondContact O-N 3.22Å; A658-L667 WeakPolarHBondContact CA-O 3.28Å; A658-L667 HydrophobicContact CB-CB 4.1Å; A658-K669 HydrophobicContact CB-CB 4.23Å; A658-F682 HydrophobicContact CB-CD1 4.09Å; A658-F682 HydrophobicContact CB-CE1 4Å
659	C	83.7	Confident	86.6	Confident	36 Å²	36	37 Å²	37	24%	0.243	19%	0.193	C	C	.	.	I	π-helix	trans	-106.4	-0.9	-173.3	-56.8	0	0	0	0	113.1	Q655 S673	Q655-C659 CarbonylContact O-C 3.53Å; Q655-C659 WeakPolarHBondContact O-CA 3.36Å; Q655-C659 WeakPolarHBondContact O-CB 3.41Å; Q655-C659 PolarHBondContact O-N 2.99Å; C659-S673 PolarHBondContact SG-O 3.44Å
660	G	77.2	Confident	86.8	Confident	19 Å²	19	40.3 Å²	40.3	20%	0.196	21%	0.209	C	C	.	.	S	Bend	trans	-68.1	-161.6	-176.9	0	0	0	0	0	115.2	Q655 R665	Q655-G660 PolarHBondContact O-N 3.38Å; G660-R665 PolarHBondContact O-NE 2.94Å; G660-R665 PolarHBondContact O-NH2 2.98Å; G660-R665 VanDerWaalsContact O-NH2 3.08Å
661	K	80.6	Confident	86.6	Confident	136 Å²	136	44.2 Å²	44.2	59%	0.591	23%	0.234	S	C	*	.			trans	-64.3	146.7	173.7	-67.4	-179.2	-179.9	179.7	0	109.8	T663 Q664 R665	K661-T663 PolarHBondContact O-N 3.06Å; K661-Q664 CarbonylContact O-C 3.56Å; K661-Q664 WeakPolarHBondContact O-CA 3.47Å; K661-Q664 PolarHBondContact O-N 3.44Å; K661-R665 WeakPolarHBondContact O-CG 3.27Å; K661-R665 PolarHBondContact O-N 2.9Å; K661-R665 VanDerWaalsContact O-N 3.16Å
662	P	78.8	Confident	86.3	Confident	95 Å²	95	52.4 Å²	52.4	62%	0.617	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-50.7	-34.1	177.9	-29	35.6	0	0	0	114	Q664	P662-Q664 PolarHBondContact O-N 3.04Å
663	T	79.3	Confident	86.2	Confident	74 Å²	74	51.4 Å²	51.4	45%	0.454	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-73.9	1.2	175.7	53.9	0	0	0	0	115.1	K661 F688	K661-T663 PolarHBondContact O-N 3.06Å; T663-F688 WeakPolarHBondContact O-CE2 3.49Å; T663-F688 WeakPolarHBondContact O-CZ 3.44Å
664	Q	82.9	Confident	85.8	Confident	27 Å²	27	60 Å²	60	13%	0.126	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-131.3	-1.9	179.8	-65.9	177.7	-20	0	0	112.8	K661 P662 V666 K696 I697	K661-Q664 CarbonylContact O-C 3.56Å; K661-Q664 WeakPolarHBondContact O-CA 3.47Å; K661-Q664 PolarHBondContact O-N 3.44Å; P662-Q664 PolarHBondContact O-N 3.04Å; Q664-V666 PolarHBondContact O-N 2.89Å; Q664-K696 PolarHBondContact NE2-O 3.32Å; Q664-I697 HydrophobicContact CB-CD1 4.03Å; Q664-I697 HydrophobicContact CG-CD1 4.26Å
665	R	87.1	Confident	85.5	Confident	102 Å²	102	65.8 Å²	65.8	39%	0.385	34%	0.336	S	S	.	.			trans	-78.8	83.7	-179.3	-72.2	-179.6	-165.6	175.9	-0.1	111.3	L657 G660 K661 L667 N685 F688	L657-R665 CarbonylContact O-C 3.54Å; L657-R665 WeakPolarHBondContact O-CA 3.49Å; G660-R665 PolarHBondContact O-NE 2.94Å; G660-R665 PolarHBondContact O-NH2 2.98Å; G660-R665 VanDerWaalsContact O-NH2 3.08Å; K661-R665 WeakPolarHBondContact O-CG 3.27Å; K661-R665 PolarHBondContact O-N 2.9Å; K661-R665 VanDerWaalsContact O-N 3.16Å; R665-L667 VanDerWaalsContact C-N 3.34Å; R665-N685 PolarHBondContact O-ND2 3.16Å; R665-F688 WeakPolarHBondContact O-CD2 3.18Å
666	V	89.9	Confident	85.4	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.024	33%	0.328	C	S	.	.			trans	-77	-26	177.1	-179.6	0	0	0	0	111.2	F586 L615 L625 L657 Q664 N685 F688 I697	F586-V666 HydrophobicContact CE1-CG1 4.02Å; F586-V666 HydrophobicContact CZ-CG1 3.92Å; L615-V666 HydrophobicContact CD1-CG1 4.02Å; L615-V666 HydrophobicContact CD1-CG2 4.03Å; L615-V666 HydrophobicContact CD2-CG2 4.31Å; L625-V666 HydrophobicContact CD2-CG1 3.74Å; L657-V666 PolarHBondContact O-N 3.4Å; Q664-V666 PolarHBondContact O-N 2.89Å; V666-N685 WeakPolarHBondContact O-CB 3.32Å; V666-N685 PolarHBondContact O-N 3.13Å; V666-F688 HydrophobicContact CG2-CE2 4.45Å; V666-I697 HydrophobicContact CG2-CD1 3.85Å; V666-I697 HydrophobicContact CG2-CG1 4.4Å
667	L	91.7	Very high	85.4	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	154.7	176.5	-60.2	179	0	0	0	111.4	I624 L625 F628 L654 L657 A658 R665 T683 V684	I624-L667 HydrophobicContact CG2-CD1 4.33Å; L625-L667 HydrophobicContact CD2-CD2 4.15Å; L625-L667 HydrophobicContact CD2-CG 4.29Å; F628-L667 HydrophobicContact CD2-CD2 4.07Å; F628-L667 HydrophobicContact CE2-CD1 3.98Å; F628-L667 HydrophobicContact CE2-CD2 3.87Å; F628-L667 HydrophobicContact CZ-CD1 4.37Å; F628-L667 HydrophobicContact CZ-CD2 4.15Å; L654-L667 HydrophobicContact CD2-CD1 4.3Å; L657-L667 HydrophobicContact CB-CB 4.47Å; L657-L667 HydrophobicContact CB-CD1 3.9Å; L657-L667 HydrophobicContact CB-CG 4.15Å; L657-L667 HydrophobicContact CD1-CD1 4.09Å; L657-L667 PolarHBondContact O-N 3.5Å; A658-L667 WeakPolarHBondContact CA-O 3.28Å; A658-L667 HydrophobicContact CB-CB 4.1Å; R665-L667 VanDerWaalsContact C-N 3.34Å; L667-T683 CarbonylContact C-O 3.51Å; L667-T683 VanDerWaalsContact CA-O 3.26Å; L667-T683 WeakPolarHBondContact CA-O 3.44Å; L667-V684 HydrophobicContact CD2-CG2 4.35Å
668	T	89.6	Confident	85.2	Confident	52 Å²	52	73.9 Å²	73.9	32%	0.319	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	149.5	166.4	32.5	0	0	0	0	110	F682 T683 N685	T668-F682 VanDerWaalsContact O-CA 3.32Å; T668-F682 WeakPolarHBondContact O-CA 3.4Å; T668-T683 PolarHBondContact N-O 3.32Å; T668-T683 PolarHBondContact O-N 3.37Å; T668-T683 PolarHBondContact OG1-O 3.02Å; T668-T683 PolarHBondContact OG1-OG1 3.5Å; T668-N685 HydrophobicContact CG2-CB 4.07Å
669	K	92.1	Very high	85.1	Confident	11 Å²	11	75.5 Å²	75.5	5%	0.048	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.4	-178	-172	179.4	83.4	72.1	0	111	A658 P671 S673 E675 I676 H680 V681 F682	A658-K669 HydrophobicContact CB-CB 4.23Å; K669-P671 WeakPolarHBondContact CE-O 3.42Å; K669-P671 PolarHBondContact NZ-O 2.93Å; K669-S673 WeakPolarHBondContact CE-O 3.34Å; K669-S673 PolarHBondContact NZ-OG 2.8Å; K669-E675 WeakPolarHBondContact CE-O 3.35Å; K669-E675 PolarHBondContact NZ-O 3.3Å; K669-E675 VanDerWaalsContact NZ-O 3.1Å; K669-I676 HydrophobicContact CD-CG1 4.33Å; K669-H680 HydrophobicContact CD-CB 4.27Å; K669-H680 HydrophobicContact CG-CB 4.23Å; K669-H680 PolarHBondContact NZ-CE1 2.96Å; K669-H680 PolarHBondContact NZ-ND1 3.46Å; K669-H680 VanDerWaalsContact NZ-ND1 3.1Å; K669-H680 PolarHBondContact NZ-NE2 2.79Å; K669-V681 CarbonylContact C-O 3.52Å; K669-V681 WeakPolarHBondContact CA-O 3.22Å; K669-F682 HydrophobicContact CB-CD1 4.2Å; K669-F682 HydrophobicContact CB-CE1 4.07Å; K669-F682 HydrophobicContact CD-CE1 3.7Å; K669-F682 HydrophobicContact CD-CZ 3.88Å; K669-F682 HydrophobicContact CG-CD1 4.19Å; K669-F682 HydrophobicContact CG-CE1 3.75Å; K669-F682 HydrophobicContact CG-CZ 4.1Å
670	E	88.4	Confident	85.5	Confident	123 Å²	123	74.3 Å²	74.3	58%	0.575	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	126.9	172.2	-65.6	-176.1	172.4	0	0	110	V681	E670-V681 PolarHBondContact N-O 3.26Å; E670-V681 PolarHBondContact O-N 3.17Å
671	P	86.1	Confident	86.2	Confident	82 Å²	82	75.1 Å²	75.1	53%	0.532	39%	0.386	S	S	.	.	S	Bend	cis	-66.6	156.2	-6.5	28.5	-36.2	0	0	0	113.3	K669 S673	K669-P671 WeakPolarHBondContact CE-O 3.42Å; K669-P671 PolarHBondContact NZ-O 2.93Å; P671-S673 PolarHBondContact O-N 2.93Å
672	K	83.1	Confident	86.9	Confident	199 Å²	199	68.6 Å²	68.6	87%	0.865	36%	0.358	S	S	*	.			trans	-74	96.8	177.5	-68.7	178.5	-176.7	171.3	0	110.3
673	S	84.8	Confident	87.5	Confident	53 Å²	53	65.8 Å²	65.8	37%	0.371	34%	0.339	S	S	.	.			trans	-139.2	167.5	173.4	69.2	0	0	0	0	111.2	C659 K669 P671 E675	C659-S673 PolarHBondContact SG-O 3.44Å; K669-S673 WeakPolarHBondContact CE-O 3.34Å; K669-S673 PolarHBondContact NZ-OG 2.8Å; P671-S673 PolarHBondContact O-N 2.93Å; S673-E675 VanDerWaalsContact C-N 3.32Å; S673-E675 PolarHBondContact OG-O 3.26Å
674	K	80.3	Confident	88.1	Confident	183 Å²	183	64.6 Å²	64.6	80%	0.796	33%	0.331	S	S	*	.	S	Bend	trans	-77.5	-21.5	175.5	-71.4	-176.4	179.5	175.2	0	112.7
675	E	84.5	Confident	88.4	Confident	123 Å²	123	64.7 Å²	64.7	58%	0.575	33%	0.332	S	S	*	.	S	Bend	trans	-93.9	153.8	-175.5	-66.1	177.1	178.1	0	0	110.9	K669 S673 H680	K669-E675 WeakPolarHBondContact CE-O 3.35Å; K669-E675 PolarHBondContact NZ-O 3.3Å; K669-E675 VanDerWaalsContact NZ-O 3.1Å; S673-E675 VanDerWaalsContact C-N 3.32Å; S673-E675 PolarHBondContact OG-O 3.26Å; E675-H680 PolarHBondContact O-CE1 2.95Å; E675-H680 PolarHBondContact O-ND1 3.21Å
676	I	86.6	Confident	88.4	Confident	16 Å²	16	62.2 Å²	62.2	8%	0.082	33%	0.327	C	S	.	.			trans	-118.9	120.6	176.9	-60.1	-167.4	0	0	0	107.4	F636 V651 L654 Q655 K669 H680 F682	F636-I676 HydrophobicContact CD2-CG2 3.6Å; F636-I676 HydrophobicContact CE2-CG2 3.67Å; V651-I676 HydrophobicContact CG1-CB 4.19Å; V651-I676 HydrophobicContact CG2-CB 4.37Å; V651-I676 HydrophobicContact CG2-CG2 4.2Å; L654-I676 VanDerWaalsContact C-CD1 3.43Å; L654-I676 HydrophobicContact CB-CD1 3.31Å; L654-I676 HydrophobicContact CD1-CG2 4.38Å; Q655-I676 HydrophobicContact CB-CD1 4.2Å; Q655-I676 HydrophobicContact CG-CD1 3.59Å; Q655-I676 HydrophobicContact CG-CG1 3.83Å; K669-I676 HydrophobicContact CD-CG1 4.33Å; I676-H680 WeakPolarHBondContact CA-ND1 3.44Å; I676-F682 HydrophobicContact CD1-CE1 4.28Å; I676-F682 HydrophobicContact CD1-CZ 4.14Å; I676-F682 HydrophobicContact CG2-CZ 4Å
677	E	88.1	Confident	88.1	Confident	107 Å²	107	68.2 Å²	68.2	50%	0.5	36%	0.355	S	S	.	.			trans	-135.3	167.9	-174.7	-59.5	-178.6	175	0	0	108.5	H680	E677-H680 PolarHBondContact N-CE1 3.17Å; E677-H680 PolarHBondContact N-ND1 3Å; E677-H680 WeakPolarHBondContact O-CB 3.42Å; E677-H680 PolarHBondContact O-N 3.14Å; E677-H680 PolarHBondContact O-ND1 3.5Å
678	N	85.1	Confident	87.7	Confident	100 Å²	100	68.3 Å²	68.3	54%	0.535	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	143.8	171.8	-68.5	-20.6	0	0	0	110.7	F636 E637 H680	F636-N678 WeakPolarHBondContact CD1-OD1 3.47Å; F636-N678 WeakPolarHBondContact CE1-OD1 3.36Å; E637-N678 WeakPolarHBondContact OE1-CA 3.46Å; E637-N678 VanDerWaalsContact OE1-CB 3.25Å; E637-N678 WeakPolarHBondContact OE1-CB 3.39Å; N678-H680 VanDerWaalsContact C-N 3.3Å; N678-H680 PolarHBondContact O-N 3.05Å
679	G	86.8	Confident	87.3	Confident	42 Å²	42	69.5 Å²	69.5	43%	0.433	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-5.4	-176.3	0	0	0	0	0	115.8	E637 V681	E637-G679 PolarHBondContact OE1-N 3.07Å; E637-G679 PolarHBondContact OE2-N 3.32Å; G679-V681 PolarHBondContact O-N 3.16Å
680	H	92.7	Very high	86.9	Confident	11 Å²	11	70.3 Å²	70.3	5%	0.051	37%	0.369	C	S	.	.			trans	-68.7	131.9	174	-73.1	171.4	0	0	0	111.8	M635 F636 K669 E675 I676 E677 N678 F682	M635-H680 WeakPolarHBondContact CA-O 3.22Å; F636-H680 PolarHBondContact N-O 3.4Å; K669-H680 HydrophobicContact CD-CB 4.27Å; K669-H680 HydrophobicContact CG-CB 4.23Å; K669-H680 PolarHBondContact NZ-CE1 2.96Å; K669-H680 PolarHBondContact NZ-ND1 3.46Å; K669-H680 VanDerWaalsContact NZ-ND1 3.1Å; K669-H680 PolarHBondContact NZ-NE2 2.79Å; E675-H680 PolarHBondContact O-CE1 2.95Å; E675-H680 PolarHBondContact O-ND1 3.21Å; I676-H680 WeakPolarHBondContact CA-ND1 3.44Å; E677-H680 PolarHBondContact N-CE1 3.17Å; E677-H680 PolarHBondContact N-ND1 3Å; E677-H680 WeakPolarHBondContact O-CB 3.42Å; E677-H680 PolarHBondContact O-N 3.14Å; E677-H680 PolarHBondContact O-ND1 3.5Å; N678-H680 VanDerWaalsContact C-N 3.3Å; N678-H680 PolarHBondContact O-N 3.05Å; H680-F682 HydrophobicContact CB-CE2 3.98Å; H680-F682 HydrophobicContact CB-CZ 4.18Å
681	V	92.2	Very high	86.7	Confident	36 Å²	36	74.9 Å²	74.9	22%	0.218	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.1	178.4	-174.4	0	0	0	0	109.8	K633 M635 K669 E670 G679	K633-V681 HydrophobicContact CB-CG1 4.17Å; M635-V681 HydrophobicContact CG-CG2 4.17Å; K669-V681 CarbonylContact C-O 3.52Å; K669-V681 WeakPolarHBondContact CA-O 3.22Å; E670-V681 PolarHBondContact N-O 3.26Å; E670-V681 PolarHBondContact O-N 3.17Å; G679-V681 PolarHBondContact O-N 3.16Å
682	F	94.2	Very high	86.7	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	139.7	177.4	-61.1	-89.6	0	0	0	111	F628 K633 S634 F636 I639 L654 A658 T668 K669 I676 H680	F628-F682 WeakPolarHBondContact CE1-O 3.4Å; F628-F682 HydrophobicContact CZ-CB 3.91Å; K633-F682 WeakPolarHBondContact CA-O 3.41Å; S634-F682 PolarHBondContact N-O 3.47Å; S634-F682 PolarHBondContact O-N 3.29Å; F636-F682 HydrophobicContact CB-CE2 4.2Å; F636-F682 HydrophobicContact CD2-CE2 4.43Å; I639-F682 HydrophobicContact CD1-CB 4.27Å; I639-F682 HydrophobicContact CD1-CD2 3.82Å; I639-F682 HydrophobicContact CD1-CG 4.28Å; L654-F682 HydrophobicContact CB-CE1 4.18Å; L654-F682 HydrophobicContact CB-CZ 4.23Å; L654-F682 HydrophobicContact CD1-CE1 4.45Å; L654-F682 HydrophobicContact CD1-CE2 3.94Å; L654-F682 HydrophobicContact CD1-CZ 3.85Å; L654-F682 HydrophobicContact CD2-CD1 4.17Å; L654-F682 HydrophobicContact CD2-CE1 4.13Å; L654-F682 HydrophobicContact CD2-CE2 4.49Å; L654-F682 HydrophobicContact CD2-CG 4.36Å; L654-F682 HydrophobicContact CD2-CZ 4.3Å; L654-F682 HydrophobicContact CG-CZ 4.37Å; A658-F682 HydrophobicContact CB-CD1 4.09Å; A658-F682 HydrophobicContact CB-CE1 4Å; T668-F682 VanDerWaalsContact O-CA 3.32Å; T668-F682 WeakPolarHBondContact O-CA 3.4Å; K669-F682 HydrophobicContact CB-CD1 4.2Å; K669-F682 HydrophobicContact CB-CE1 4.07Å; K669-F682 HydrophobicContact CD-CE1 3.7Å; K669-F682 HydrophobicContact CD-CZ 3.88Å; K669-F682 HydrophobicContact CG-CD1 4.19Å; K669-F682 HydrophobicContact CG-CE1 3.75Å; K669-F682 HydrophobicContact CG-CZ 4.1Å; I676-F682 HydrophobicContact CD1-CE1 4.28Å; I676-F682 HydrophobicContact CD1-CZ 4.14Å; I676-F682 HydrophobicContact CG2-CZ 4Å; H680-F682 HydrophobicContact CB-CE2 3.98Å; H680-F682 HydrophobicContact CB-CZ 4.18Å
683	T	92.3	Very high	86.9	Confident	35 Å²	35	72.7 Å²	72.7	22%	0.215	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	157.1	178.3	46.3	0	0	0	0	110.7	K633 L667 T668	K633-T683 HydrophobicContact CB-CG2 3.6Å; L667-T683 CarbonylContact C-O 3.51Å; L667-T683 VanDerWaalsContact CA-O 3.26Å; L667-T683 WeakPolarHBondContact CA-O 3.44Å; T668-T683 PolarHBondContact N-O 3.32Å; T668-T683 PolarHBondContact O-N 3.37Å; T668-T683 PolarHBondContact OG1-O 3.02Å; T668-T683 PolarHBondContact OG1-OG1 3.5Å
684	V	91.8	Very high	87.1	Confident	50 Å²	50	76.1 Å²	76.1	30%	0.303	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	132.6	176.1	179.2	0	0	0	0	110.2	F586 F628 L667 D686	F586-V684 HydrophobicContact CD1-CG1 4.37Å; F586-V684 HydrophobicContact CE1-CG1 4.3Å; F628-V684 HydrophobicContact CB-CG2 3.56Å; F628-V684 HydrophobicContact CD1-CG2 3.88Å; F628-V684 HydrophobicContact CG-CG2 3.81Å; L667-V684 HydrophobicContact CD2-CG2 4.35Å; V684-D686 PolarHBondContact O-N 2.9Å
685	N	90.1	Very high	87.5	Confident	28 Å²	28	67.7 Å²	67.7	15%	0.15	35%	0.345	C	S	.	.			trans	-84.5	84.8	175	-177.4	13.9	0	0	0	110.8	F586 R665 V666 T668 Q687 F688	F586-N685 WeakPolarHBondContact CD1-O 3.25Å; R665-N685 PolarHBondContact O-ND2 3.16Å; V666-N685 WeakPolarHBondContact O-CB 3.32Å; V666-N685 PolarHBondContact O-N 3.13Å; T668-N685 HydrophobicContact CG2-CB 4.07Å; N685-Q687 PolarHBondContact O-N 2.85Å; N685-Q687 VanDerWaalsContact O-N 3.08Å; N685-Q687 WeakPolarHBondContact OD1-CB 3.32Å; N685-Q687 PolarHBondContact OD1-N 2.88Å; N685-F688 WeakPolarHBondContact O-CB 3.29Å; N685-F688 PolarHBondContact O-N 3.01Å
686	D	85.8	Confident	87.6	Confident	50 Å²	50	67 Å²	67	27%	0.267	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-15	177.3	-88.9	-49.8	0	0	0	114.2	Y587 G588 V684 F688	Y587-D686 PolarHBondContact N-OD1 3.45Å; G588-D686 WeakPolarHBondContact CA-O 3.49Å; G588-D686 PolarHBondContact N-O 3.49Å; G588-D686 VanDerWaalsContact N-O 3.13Å; V684-D686 PolarHBondContact O-N 2.9Å; D686-F688 VanDerWaalsContact C-N 3.27Å; D686-F688 PolarHBondContact O-N 3.37Å
687	Q	83.2	Confident	87.6	Confident	131 Å²	131	66.5 Å²	66.5	61%	0.612	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	0.5	174.9	-57.7	-177.5	4.6	0	0	113.2	N685 T689	N685-Q687 PolarHBondContact O-N 2.85Å; N685-Q687 VanDerWaalsContact O-N 3.08Å; N685-Q687 WeakPolarHBondContact OD1-CB 3.32Å; N685-Q687 PolarHBondContact OD1-N 2.88Å; Q687-T689 VanDerWaalsContact O-CG2 3.28Å; Q687-T689 WeakPolarHBondContact O-CG2 3.37Å; Q687-T689 PolarHBondContact O-N 3.01Å
688	F	85.2	Confident	87.1	Confident	2 Å²	2	67 Å²	67	1%	0.009	34%	0.34	C	S	.	.			trans	-53.7	133.2	-178.5	176.5	-100.7	0	0	0	112.5	F586 H613 T663 R665 V666 N685 D686 V695	F586-F688 HydrophobicContact CD1-CB 3.98Å; F586-F688 HydrophobicContact CD2-CD1 4.02Å; F586-F688 HydrophobicContact CE1-CB 3.92Å; F586-F688 HydrophobicContact CE1-CD1 4.23Å; F586-F688 HydrophobicContact CE1-CG 4.3Å; F586-F688 AromaticContact CE2-CD1 3.58Å; F586-F688 HydrophobicContact CE2-CD1 3.58Å; F586-F688 HydrophobicContact CE2-CE1 4.19Å; F586-F688 HydrophobicContact CE2-CG 4.42Å; F586-F688 HydrophobicContact CG-CB 4.36Å; F586-F688 HydrophobicContact CZ-CB 4.25Å; F586-F688 AromaticContact CZ-CD1 3.69Å; F586-F688 HydrophobicContact CZ-CD1 3.69Å; F586-F688 HydrophobicContact CZ-CE1 4.4Å; F586-F688 HydrophobicContact CZ-CG 4.15Å; H613-F688 AromaticContact CD2-CE1 3.88Å; T663-F688 WeakPolarHBondContact O-CE2 3.49Å; T663-F688 WeakPolarHBondContact O-CZ 3.44Å; R665-F688 WeakPolarHBondContact O-CD2 3.18Å; V666-F688 HydrophobicContact CG2-CE2 4.45Å; N685-F688 WeakPolarHBondContact O-CB 3.29Å; N685-F688 PolarHBondContact O-N 3.01Å; D686-F688 VanDerWaalsContact C-N 3.27Å; D686-F688 PolarHBondContact O-N 3.37Å; F688-V695 HydrophobicContact CE1-CG2 4.38Å; F688-V695 HydrophobicContact CZ-CG1 4.19Å; F688-V695 HydrophobicContact CZ-CG2 4.29Å
689	T	80.9	Confident	86.3	Confident	77 Å²	77	65.6 Å²	65.6	47%	0.472	34%	0.335	S	S	.	.			trans	-136.8	142	177.8	75	0	0	0	0	111	Q687	Q687-T689 VanDerWaalsContact O-CG2 3.28Å; Q687-T689 WeakPolarHBondContact O-CG2 3.37Å; Q687-T689 PolarHBondContact O-N 3.01Å
690	S	83.6	Confident	85	Confident	28 Å²	28	67.3 Å²	67.3	20%	0.196	34%	0.337	C	S	.	.			trans	-143.2	143.2	172.9	169.8	0	0	0	0	110.3	L692 V695	S690-L692 PolarHBondContact O-N 2.69Å; S690-L692 PolarHBondContact OG-N 2.66Å; S690-L692 PolarHBondContact OG-O 3.03Å; S690-V695 WeakPolarHBondContact OG-CG2 3.34Å
691	K	84.3	Confident	82.9	Confident	220 Å²	220	70.6 Å²	70.6	96%	0.957	37%	0.366	S	S	*	.	S	Bend	trans	-67.8	-21.3	171.1	-64.5	-174.3	179.1	-175.7	0	112.5
692	L	85.5	Confident	80.7	Confident	117 Å²	117	72.2 Å²	72.2	61%	0.613	38%	0.383	S	S	*	.	S	Bend	trans	-102.1	133.2	-179.2	-59	176.4	0	0	0	110.3	H613 S690 R694 V695	H613-L692 PolarHBondContact ND1-O 3.17Å; S690-L692 PolarHBondContact O-N 2.69Å; S690-L692 PolarHBondContact OG-N 2.66Å; S690-L692 PolarHBondContact OG-O 3.03Å; L692-R694 WeakPolarHBondContact CB-O 3.31Å; L692-V695 WeakPolarHBondContact O-CG2 3.44Å
693	H	86.6	Confident	78.5	Confident	118 Å²	118	81 Å²	81	55%	0.546	42%	0.421	S	S	.	.	S	Bend	trans	-64.2	-42	172.6	179.9	-101.8	0	0	0	111.6	K612 H613 I614	K612-H693 PolarHBondContact O-CD2 3.43Å; H613-H693 WeakPolarHBondContact CA-O 3.45Å; H613-H693 PolarHBondContact ND1-O 3.49Å; I614-H693 PolarHBondContact N-O 2.81Å
694	R	89.2	Confident	76.6	Confident	124 Å²	124	88 Å²	88	47%	0.468	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	111.9	173	-166.1	168.2	-168.4	154.6	-4.1	109.6	D581 I614 Q616 L692	D581-R694 IonicContact OD1-CZ 3.01Å; D581-R694 IonicContact OD1-NE 2.61Å; D581-R694 IonicContact OD1-NH2 2.82Å; D581-R694 PolarHBondContact OD1-NH2 2.77Å; D581-R694 IonicContact OD2-CZ 3.19Å; D581-R694 IonicContact OD2-NH2 3.99Å; D581-R694 PolarHBondContact OD2-NH2 3.03Å; I614-R694 HydrophobicContact CB-CB 4.41Å; I614-R694 HydrophobicContact CB-CG 4.1Å; I614-R694 HydrophobicContact CG2-CG 4.06Å; I614-R694 CarbonylContact O-C 3.58Å; I614-R694 WeakPolarHBondContact O-CA 3.38Å; Q616-R694 HydrophobicContact CG-CG 3.85Å; Q616-R694 VanDerWaalsContact NE2-NH2 3.19Å; L692-R694 WeakPolarHBondContact CB-O 3.31Å
695	V	88.6	Confident	75.1	Confident	7 Å²	7	86.7 Å²	86.7	4%	0.042	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.4	-175.5	-172	0	0	0	0	109.1	H613 I614 L615 Q616 F688 S690 L692 I697	H613-V695 HydrophobicContact CB-CG2 4.44Å; I614-V695 PolarHBondContact O-N 3.4Å; L615-V695 WeakPolarHBondContact CA-O 3.4Å; L615-V695 HydrophobicContact CD2-CB 4.07Å; Q616-V695 PolarHBondContact N-O 3.34Å; F688-V695 HydrophobicContact CE1-CG2 4.38Å; F688-V695 HydrophobicContact CZ-CG1 4.19Å; F688-V695 HydrophobicContact CZ-CG2 4.29Å; S690-V695 WeakPolarHBondContact OG-CG2 3.34Å; L692-V695 WeakPolarHBondContact O-CG2 3.44Å; V695-I697 HydrophobicContact CG1-CD1 3.85Å
696	K	87.6	Confident	74.2	Confident	107 Å²	107	86.5 Å²	86.5	47%	0.465	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	110.5	172.5	-173.3	167.3	-173.5	161.3	0	110.1	Q616 Q664 Q698	Q616-K696 HydrophobicContact CB-CB 4.44Å; Q616-K696 HydrophobicContact CB-CG 4.36Å; Q664-K696 PolarHBondContact NE2-O 3.32Å; K696-Q698 HydrophobicContact CG-CG 4.32Å; K696-Q698 PolarHBondContact O-N 2.78Å
697	I	86.4	Confident	73.4	Confident	6 Å²	6	86.7 Å²	86.7	3%	0.031	45%	0.449	C	S	.	.			trans	-81.4	100.8	172.7	-50.8	-57.2	0	0	0	107	L615 Q616 V617 L657 Q664 V666 V695 T699	L615-I697 HydrophobicContact CD2-CD1 4.48Å; Q616-I697 PolarHBondContact O-N 3.44Å; V617-I697 HydrophobicContact CG1-CB 4.04Å; V617-I697 HydrophobicContact CG1-CG1 3.9Å; L657-I697 HydrophobicContact CD2-CG2 4.12Å; Q664-I697 HydrophobicContact CB-CD1 4.03Å; Q664-I697 HydrophobicContact CG-CD1 4.26Å; V666-I697 HydrophobicContact CG2-CD1 3.85Å; V666-I697 HydrophobicContact CG2-CG1 4.4Å; V695-I697 HydrophobicContact CG1-CD1 3.85Å; I697-T699 PolarHBondContact O-N 2.98Å
698	Q	77	Confident	72.9	Confident	118 Å²	118	84.6 Å²	84.6	55%	0.551	44%	0.442	S	S	*	.			trans	-74.4	124.7	177.1	-64.6	-175	5.6	0	0	108	S656 K696	S656-Q698 WeakPolarHBondContact CB-O 3.37Å; K696-Q698 HydrophobicContact CG-CG 4.32Å; K696-Q698 PolarHBondContact O-N 2.78Å
699	T	68.8	Low	72.6	Confident	70 Å²	70	89 Å²	89	43%	0.429	47%	0.471	S	S	.	.			trans	-54.5	144.4	163	40.4	0	0	0	0	108.6	I697 A701	I697-T699 PolarHBondContact O-N 2.98Å; T699-A701 PolarHBondContact O-N 3.24Å
700	V	59.5	Low	72.4	Confident	79 Å²	79	87.3 Å²	87.3	48%	0.479	46%	0.458	S	S	.	.			trans	-55.5	110.3	174.3	-179.9	0	0	0	0	106.4	Q655 A702	Q655-V700 HydrophobicContact CB-CG2 4.08Å; V700-A702 PolarHBondContact O-N 3.4Å
701	A	48.6	Very low	72.3	Confident	79 Å²	79	88.3 Å²	88.3	65%	0.653	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-60.1	132	-170.2	0	0	0	0	0	108.9	T699 K703	T699-A701 PolarHBondContact O-N 3.24Å; A701-K703 PolarHBondContact O-N 3.11Å
702	A	45.9	Very low	72.2	Confident	70 Å²	70	85.4 Å²	85.4	58%	0.579	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-52	131.2	150.8	0	0	0	0	0	106.3	V700	V700-A702 PolarHBondContact O-N 3.4Å
703	K	48.1	Very low	72.2	Confident	186 Å²	186	84.6 Å²	84.6	81%	0.809	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-46.5	150.7	173	-70.6	180	176.1	-179.4	0	108.8	A701 G705	A701-K703 PolarHBondContact O-N 3.11Å; K703-G705 PolarHBondContact O-N 3.44Å
704	Q	52.1	Low	72.1	Confident	182 Å²	182	79.6 Å²	79.6	85%	0.85	42%	0.415	S	S	*	.	S	Bend	trans	-58.6	109.3	176.3	-71.6	-179.9	-4.2	0	0	109
705	G	60.4	Low	72	Confident	22 Å²	22	77.3 Å²	77.3	23%	0.227	41%	0.406	C	S	.	.	S	Bend	trans	113.4	161	-173.7	0	0	0	0	0	113	K703	K703-G705 PolarHBondContact O-N 3.44Å
706	E	70.4	Confident	72.1	Confident	23 Å²	23	81.6 Å²	81.6	11%	0.107	43%	0.426	C	S	.	.			trans	-69.5	146.7	174	-68.2	-168.5	153.5	0	0	110.2	Y454 Q457 E710 R711 T714	Y454-E706 HydrophobicContact CE1-CG 4.32Å; Y454-E706 WeakPolarHBondContact CE1-OE2 3.46Å; Q457-E706 PolarHBondContact NE2-OE1 2.66Å; Q457-E706 PolarHBondContact OE1-OE1 3.47Å; E706-E710 HydrophobicContact CB-CB 3.85Å; E706-E710 HydrophobicContact CG-CB 4.34Å; E706-R711 HydrophobicContact CB-CG 3.67Å; E706-R711 PolarHBondContact O-NE 2.65Å; E706-R711 PolarHBondContact O-NH1 3.02Å; E706-R711 PolarHBondContact O-NH2 3.06Å; E706-T714 PolarHBondContact OE1-OG1 3.13Å; E706-T714 VanDerWaalsContact OE2-CB 3.28Å; E706-T714 WeakPolarHBondContact OE2-CB 2.84Å; E706-T714 PolarHBondContact OE2-OG1 3.03Å
707	T	69.5	Low	72.1	Confident	55 Å²	55	79 Å²	79	34%	0.337	42%	0.415	S	S	.	.			trans	-66.7	156.9	167.8	57.8	0	0	0	0	110.1	P709 E710 R711	T707-P709 VanDerWaalsContact C-CD 3.43Å; T707-P709 VanDerWaalsContact C-N 3.3Å; T707-E710 PolarHBondContact N-OE2 3.29Å; T707-E710 CarbonylContact O-C 3.23Å; T707-E710 WeakPolarHBondContact O-CA 3.45Å; T707-E710 WeakPolarHBondContact O-CB 3.5Å; T707-E710 PolarHBondContact O-N 3.38Å; T707-E710 WeakPolarHBondContact OG1-CG 3.28Å; T707-E710 PolarHBondContact OG1-OE2 3.23Å; T707-R711 PolarHBondContact O-N 2.96Å
708	D	73.5	Confident	72.2	Confident	86 Å²	86	79 Å²	79	46%	0.46	42%	0.415	S	S	.	.	H	α-helix	trans	-55.6	-36.2	-178.7	-65.7	-28.3	0	0	0	114.5	R406 R711 K712	R406-D708 IonicContact NH2-OD1 3.88Å; D708-R711 IonicContact OD1-NH1 2.64Å; D708-R711 PolarHBondContact OD1-NH1 3.47Å; D708-K712 WeakPolarHBondContact O-CG 3.46Å; D708-K712 PolarHBondContact O-N 2.89Å; D708-K712 VanDerWaalsContact O-N 3.11Å
709	P	77.3	Confident	72.8	Confident	94 Å²	94	75.9 Å²	75.9	61%	0.61	40%	0.402	S	S	*	.	H	α-helix	trans	-62.4	-43.6	170	-23.6	34.8	0	0	0	113.5	T707 K712 E713	T707-P709 VanDerWaalsContact C-CD 3.43Å; T707-P709 VanDerWaalsContact C-N 3.3Å; P709-K712 PolarHBondContact O-N 2.93Å; P709-E713 PolarHBondContact O-N 3.35Å
710	E	76.8	Confident	73.9	Confident	43 Å²	43	75.1 Å²	75.1	20%	0.201	40%	0.395	C	S	.	.	H	α-helix	trans	-65.4	-39.8	178.2	-73.1	159.5	177.4	0	0	110.9	R648 E706 T707 K712 E713 T714	R648-E710 IonicContact CZ-OE1 3.64Å; R648-E710 IonicContact NH2-OE1 3.81Å; R648-E710 PolarHBondContact NH2-OE1 3.24Å; E706-E710 HydrophobicContact CB-CB 3.85Å; E706-E710 HydrophobicContact CG-CB 4.34Å; T707-E710 PolarHBondContact N-OE2 3.29Å; T707-E710 CarbonylContact O-C 3.23Å; T707-E710 WeakPolarHBondContact O-CA 3.45Å; T707-E710 WeakPolarHBondContact O-CB 3.5Å; T707-E710 PolarHBondContact O-N 3.38Å; T707-E710 WeakPolarHBondContact OG1-CG 3.28Å; T707-E710 PolarHBondContact OG1-OE2 3.23Å; E710-K712 PolarHBondContact O-N 3.38Å; E710-E713 WeakPolarHBondContact O-CB 3.23Å; E710-E713 PolarHBondContact O-N 2.97Å; E710-T714 WeakPolarHBondContact O-CB 3.45Å; E710-T714 PolarHBondContact O-N 2.79Å; E710-T714 PolarHBondContact O-OG1 3.38Å
711	R	81.8	Confident	75.3	Confident	48 Å²	48	75.1 Å²	75.1	18%	0.181	39%	0.393	C	S	.	.	H	α-helix	trans	-60	-44.5	174.1	-71.8	-177.1	175.6	117.8	10.2	112.3	E409 E706 T707 D708 E713 T714 R715	E409-R711 IonicContact OE1-CZ 3.92Å; E409-R711 IonicContact OE1-NE 2.69Å; E409-R711 PolarHBondContact OE1-NE 3.24Å; E409-R711 IonicContact OE1-NH2 3.8Å; E409-R711 PolarHBondContact OE1-NH2 3.37Å; E409-R711 IonicContact OE2-CZ 3.32Å; E409-R711 IonicContact OE2-NE 3.41Å; E409-R711 PolarHBondContact OE2-NE 3.43Å; E409-R711 IonicContact OE2-NH2 3.79Å; E706-R711 HydrophobicContact CB-CG 3.67Å; E706-R711 PolarHBondContact O-NE 2.65Å; E706-R711 PolarHBondContact O-NH1 3.02Å; E706-R711 PolarHBondContact O-NH2 3.06Å; T707-R711 PolarHBondContact O-N 2.96Å; D708-R711 IonicContact OD1-NH1 2.64Å; D708-R711 PolarHBondContact OD1-NH1 3.47Å; R711-E713 VanDerWaalsContact C-N 3.31Å; R711-E713 PolarHBondContact O-N 3.48Å; R711-T714 PolarHBondContact O-N 2.92Å; R711-R715 WeakPolarHBondContact O-CB 3.27Å; R711-R715 PolarHBondContact O-N 3.28Å
712	K	83.7	Confident	77.4	Confident	160 Å²	160	72.7 Å²	72.7	70%	0.696	37%	0.367	S	S	*	.	H	α-helix	trans	-61.8	-41.6	176.9	-75.3	178.7	-178.7	-178.8	0	111.2	D708 P709 E710 R715 Q716	D708-K712 WeakPolarHBondContact O-CG 3.46Å; D708-K712 PolarHBondContact O-N 2.89Å; D708-K712 VanDerWaalsContact O-N 3.11Å; P709-K712 PolarHBondContact O-N 2.93Å; E710-K712 PolarHBondContact O-N 3.38Å; K712-R715 PolarHBondContact O-N 3.23Å; K712-Q716 WeakPolarHBondContact O-CB 3.46Å; K712-Q716 PolarHBondContact O-N 2.81Å
713	E	84.7	Confident	79.6	Confident	100 Å²	100	72.9 Å²	72.9	47%	0.467	36%	0.355	S	S	.	.	H	α-helix	trans	-64	-45.7	175.4	-170.6	-171.3	163.6	0	0	111.7	P709 E710 R711 R715 Q716 K717	P709-E713 PolarHBondContact O-N 3.35Å; E710-E713 WeakPolarHBondContact O-CB 3.23Å; E710-E713 PolarHBondContact O-N 2.97Å; R711-E713 VanDerWaalsContact C-N 3.31Å; R711-E713 PolarHBondContact O-N 3.48Å; E713-R715 VanDerWaalsContact C-N 3.32Å; E713-R715 PolarHBondContact O-N 2.97Å; E713-Q716 PolarHBondContact O-N 2.83Å; E713-K717 WeakPolarHBondContact O-CG 3.41Å; E713-K717 PolarHBondContact O-N 3.28Å; E713-K717 WeakPolarHBondContact OE1-CE 3.42Å; E713-K717 IonicContact OE1-NZ 3.61Å; E713-K717 PolarHBondContact OE1-NZ 3.18Å
714	T	85.2	Confident	81.7	Confident	12 Å²	12	70 Å²	70	7%	0.074	34%	0.343	C	S	.	.	H	α-helix	trans	-58.2	-45.2	175.9	-69.5	0	0	0	0	111	R453 Y454 E706 E710 R711 K717 V718	R453-T714 HydrophobicContact CG-CG2 4.12Å; Y454-T714 HydrophobicContact CE1-CG2 3.95Å; Y454-T714 HydrophobicContact CE2-CG2 4.39Å; E706-T714 PolarHBondContact OE1-OG1 3.13Å; E706-T714 VanDerWaalsContact OE2-CB 3.28Å; E706-T714 WeakPolarHBondContact OE2-CB 2.84Å; E706-T714 PolarHBondContact OE2-OG1 3.03Å; E710-T714 WeakPolarHBondContact O-CB 3.45Å; E710-T714 PolarHBondContact O-N 2.79Å; E710-T714 PolarHBondContact O-OG1 3.38Å; R711-T714 PolarHBondContact O-N 2.92Å; T714-K717 PolarHBondContact O-N 3.13Å; T714-V718 WeakPolarHBondContact O-CG2 3.16Å; T714-V718 PolarHBondContact O-N 2.89Å; T714-V718 VanDerWaalsContact O-N 3.12Å
715	R	87.1	Confident	83.6	Confident	76 Å²	76	63.3 Å²	63.3	29%	0.287	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-47.4	176.8	-172.1	67	174.5	-141.8	6.8	112.1	E447 R711 K712 E713 K717 V718 D719	E447-R715 IonicContact OE1-CZ 3.2Å; E447-R715 IonicContact OE1-NH1 2.62Å; E447-R715 IonicContact OE1-NH2 3.48Å; E447-R715 PolarHBondContact OE1-NH2 3.4Å; E447-R715 IonicContact OE2-CZ 2.9Å; E447-R715 VanDerWaalsContact OE2-CZ 3.27Å; E447-R715 IonicContact OE2-NH1 3.01Å; E447-R715 PolarHBondContact OE2-NH1 3.02Å; E447-R715 IonicContact OE2-NH2 3.62Å; E447-R715 PolarHBondContact OE2-NH2 3.46Å; R711-R715 WeakPolarHBondContact O-CB 3.27Å; R711-R715 PolarHBondContact O-N 3.28Å; K712-R715 PolarHBondContact O-N 3.23Å; E713-R715 VanDerWaalsContact C-N 3.32Å; E713-R715 PolarHBondContact O-N 2.97Å; R715-K717 VanDerWaalsContact C-N 3.28Å; R715-K717 PolarHBondContact O-N 3.47Å; R715-V718 WeakPolarHBondContact O-CB 3.49Å; R715-V718 PolarHBondContact O-N 3.24Å; R715-V718 VanDerWaalsContact O-N 3.1Å; R715-D719 PolarHBondContact O-N 2.84Å
716	Q	88.8	Confident	85.3	Confident	97 Å²	97	62.4 Å²	62.4	45%	0.453	30%	0.302	S	S	.	.	H	α-helix	trans	-57.6	-43.3	178.5	-177.6	57.5	52.1	0	0	111.5	K712 E713 V718 D719 D720	K712-Q716 WeakPolarHBondContact O-CB 3.46Å; K712-Q716 PolarHBondContact O-N 2.81Å; E713-Q716 PolarHBondContact O-N 2.83Å; Q716-V718 PolarHBondContact O-N 3.42Å; Q716-D719 PolarHBondContact O-N 3.47Å; Q716-D720 PolarHBondContact NE2-OD1 3.19Å; Q716-D720 VanDerWaalsContact NE2-OD1 3.16Å; Q716-D720 PolarHBondContact NE2-OD2 2.96Å; Q716-D720 VanDerWaalsContact O-CG 3.29Å; Q716-D720 PolarHBondContact O-N 3.25Å
717	K	87.6	Confident	86.4	Confident	54 Å²	54	62.2 Å²	62.2	24%	0.235	30%	0.302	C	S	.	.	H	α-helix	trans	-65.2	-37.4	177.6	-69.3	176.7	-176.2	170.4	0	112.4	R453 E713 T714 R715 D720 D721	R453-K717 VanDerWaalsContact NH1-CB 3.32Å; E713-K717 WeakPolarHBondContact O-CG 3.41Å; E713-K717 PolarHBondContact O-N 3.28Å; E713-K717 WeakPolarHBondContact OE1-CE 3.42Å; E713-K717 IonicContact OE1-NZ 3.61Å; E713-K717 PolarHBondContact OE1-NZ 3.18Å; T714-K717 PolarHBondContact O-N 3.13Å; R715-K717 VanDerWaalsContact C-N 3.28Å; R715-K717 PolarHBondContact O-N 3.47Å; K717-D720 PolarHBondContact O-N 3.48Å; K717-D721 VanDerWaalsContact O-CG 3.28Å; K717-D721 PolarHBondContact O-N 3.26Å
718	V	90.5	Very high	87.6	Confident	5 Å²	5	61.8 Å²	61.8	3%	0.03	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-45.3	172.3	175.8	0	0	0	0	110.5	D449 V450 R453 T714 R715 Q716 D720 D721 R722	D449-V718 WeakPolarHBondContact OD2-CG1 3.5Å; V450-V718 HydrophobicContact CG2-CG1 3.94Å; R453-V718 HydrophobicContact CB-CG2 4.25Å; R453-V718 HydrophobicContact CG-CG2 4.42Å; T714-V718 WeakPolarHBondContact O-CG2 3.16Å; T714-V718 PolarHBondContact O-N 2.89Å; T714-V718 VanDerWaalsContact O-N 3.12Å; R715-V718 WeakPolarHBondContact O-CB 3.49Å; R715-V718 PolarHBondContact O-N 3.24Å; R715-V718 VanDerWaalsContact O-N 3.1Å; Q716-V718 PolarHBondContact O-N 3.42Å; V718-D720 VanDerWaalsContact C-N 3.27Å; V718-D720 PolarHBondContact O-N 3.09Å; V718-D721 PolarHBondContact O-N 2.79Å; V718-D721 VanDerWaalsContact O-N 3.17Å; V718-R722 HydrophobicContact CG1-CG 4.35Å; V718-R722 VanDerWaalsContact O-CG 3.31Å; V718-R722 WeakPolarHBondContact O-CG 3.2Å; V718-R722 PolarHBondContact O-N 3.3Å
719	D	89.4	Confident	88.6	Confident	53 Å²	53	57.7 Å²	57.7	28%	0.283	28%	0.281	S	S	.	.	H	α-helix	trans	-65.5	-31.4	179.5	-69.7	-30.7	0	0	0	112.5	R715 Q716 R722 K723	R715-D719 PolarHBondContact O-N 2.84Å; Q716-D719 PolarHBondContact O-N 3.47Å; D719-R722 IonicContact OD1-CZ 2.85Å; D719-R722 IonicContact OD1-NH1 2.79Å; D719-R722 PolarHBondContact OD1-NH1 3.38Å; D719-R722 VanDerWaalsContact OD1-NH1 3.11Å; D719-K723 WeakPolarHBondContact O-CG 3.32Å; D719-K723 PolarHBondContact O-N 2.9Å
720	D	90.3	Very high	89.5	Confident	53 Å²	53	53.2 Å²	53.2	28%	0.283	25%	0.252	S	S	.	.	H	α-helix	trans	-69.4	-42	171.4	-68.2	-31.1	0	0	0	112.2	Q716 K717 V718 R722 K723 H724	Q716-D720 PolarHBondContact NE2-OD1 3.19Å; Q716-D720 VanDerWaalsContact NE2-OD1 3.16Å; Q716-D720 PolarHBondContact NE2-OD2 2.96Å; Q716-D720 VanDerWaalsContact O-CG 3.29Å; Q716-D720 PolarHBondContact O-N 3.25Å; K717-D720 PolarHBondContact O-N 3.48Å; V718-D720 VanDerWaalsContact C-N 3.27Å; V718-D720 PolarHBondContact O-N 3.09Å; D720-R722 PolarHBondContact O-N 3.31Å; D720-K723 WeakPolarHBondContact O-CB 3.44Å; D720-K723 PolarHBondContact O-N 3.04Å; D720-K723 IonicContact OD1-NZ 3.97Å; D720-K723 PolarHBondContact OD1-NZ 3.1Å; D720-H724 PolarHBondContact O-CE1 2.8Å; D720-H724 PolarHBondContact O-ND1 2.93Å
721	D	89.3	Confident	90.4	Very high	80 Å²	80	52.6 Å²	52.6	43%	0.428	25%	0.251	S	S	.	.	H	α-helix	trans	-61.6	-43.4	174.6	-70.4	-26.7	0	0	0	110.9	R453 K717 V718 K723 H724 E725	R453-D721 IonicContact NH1-OD2 2.67Å; R453-D721 PolarHBondContact NH1-OD2 3.25Å; K717-D721 VanDerWaalsContact O-CG 3.28Å; K717-D721 PolarHBondContact O-N 3.26Å; V718-D721 PolarHBondContact O-N 2.79Å; V718-D721 VanDerWaalsContact O-N 3.17Å; D721-K723 VanDerWaalsContact C-N 3.26Å; D721-K723 PolarHBondContact O-N 2.86Å; D721-H724 PolarHBondContact O-N 3.19Å; D721-H724 VanDerWaalsContact O-N 3.12Å; D721-E725 PolarHBondContact O-N 2.92Å; D721-E725 VanDerWaalsContact O-N 3.1Å
722	R	93.6	Very high	91	Very high	27 Å²	27	56.1 Å²	56.1	10%	0.102	27%	0.265	C	S	.	.	H	α-helix	trans	-55.7	-36.7	176.8	-74	173.5	175.3	176	-7.3	113	E447 D449 V718 D719 D720 H724 E725 I726 F757	E447-R722 IonicContact OE1-CZ 2.76Å; E447-R722 IonicContact OE1-NH1 3.44Å; E447-R722 PolarHBondContact OE1-NH1 3.31Å; E447-R722 IonicContact OE1-NH2 2.82Å; E447-R722 PolarHBondContact OE1-NH2 3.43Å; D449-R722 IonicContact OD1-CZ 3.66Å; D449-R722 IonicContact OD1-NE 3.33Å; D449-R722 IonicContact OD1-NH2 3.11Å; D449-R722 PolarHBondContact OD1-NH2 3.01Å; D449-R722 WeakPolarHBondContact OD2-CG 3.19Å; D449-R722 IonicContact OD2-CZ 2.69Å; D449-R722 IonicContact OD2-NE 2.65Å; D449-R722 PolarHBondContact OD2-NE 3.23Å; D449-R722 IonicContact OD2-NH2 3.51Å; D449-R722 PolarHBondContact OD2-NH2 2.89Å; V718-R722 HydrophobicContact CG1-CG 4.35Å; V718-R722 VanDerWaalsContact O-CG 3.31Å; V718-R722 WeakPolarHBondContact O-CG 3.2Å; V718-R722 PolarHBondContact O-N 3.3Å; D719-R722 IonicContact OD1-CZ 2.85Å; D719-R722 IonicContact OD1-NH1 2.79Å; D719-R722 PolarHBondContact OD1-NH1 3.38Å; D719-R722 VanDerWaalsContact OD1-NH1 3.11Å; D720-R722 PolarHBondContact O-N 3.31Å; R722-H724 VanDerWaalsContact C-N 3.34Å; R722-H724 PolarHBondContact O-N 3.07Å; R722-E725 PolarHBondContact O-N 3.13Å; R722-I726 WeakPolarHBondContact O-CB 3.27Å; R722-I726 VanDerWaalsContact O-CG1 3.23Å; R722-I726 WeakPolarHBondContact O-CG1 3.49Å; R722-I726 PolarHBondContact O-N 3.46Å; R722-F757 HydrophobicContact CB-CE1 4.43Å; R722-F757 HydrophobicContact CB-CE2 4.15Å; R722-F757 HydrophobicContact CB-CZ 3.89Å; R722-F757 HydrophobicContact CG-CD1 4.19Å; R722-F757 HydrophobicContact CG-CD2 4.21Å; R722-F757 HydrophobicContact CG-CE1 3.88Å; R722-F757 HydrophobicContact CG-CE2 3.88Å; R722-F757 HydrophobicContact CG-CG 4.35Å; R722-F757 HydrophobicContact CG-CZ 3.71Å
723	K	92.7	Very high	91.5	Very high	75 Å²	75	49.2 Å²	49.2	33%	0.326	24%	0.235	S	C	.	.	H	α-helix	trans	-58.8	-47.9	178.1	-68.1	165.9	-168.3	167	0	110.9	D719 D720 D721 I726 E727	D719-K723 WeakPolarHBondContact O-CG 3.32Å; D719-K723 PolarHBondContact O-N 2.9Å; D720-K723 WeakPolarHBondContact O-CB 3.44Å; D720-K723 PolarHBondContact O-N 3.04Å; D720-K723 IonicContact OD1-NZ 3.97Å; D720-K723 PolarHBondContact OD1-NZ 3.1Å; D721-K723 VanDerWaalsContact C-N 3.26Å; D721-K723 PolarHBondContact O-N 2.86Å; K723-I726 PolarHBondContact O-N 2.63Å; K723-E727 VanDerWaalsContact O-CG 3.32Å; K723-E727 WeakPolarHBondContact O-CG 3.49Å; K723-E727 PolarHBondContact O-N 2.83Å; K723-E727 VanDerWaalsContact O-N 3.07Å
724	H	92.2	Very high	92	Very high	124 Å²	124	44.4 Å²	44.4	57%	0.574	21%	0.213	S	C	*	.	H	α-helix	trans	-67.8	-38.6	-179.7	-58	95	0	0	0	111.4	D720 D721 R722 E727 A728	D720-H724 PolarHBondContact O-CE1 2.8Å; D720-H724 PolarHBondContact O-ND1 2.93Å; D721-H724 PolarHBondContact O-N 3.19Å; D721-H724 VanDerWaalsContact O-N 3.12Å; R722-H724 VanDerWaalsContact C-N 3.34Å; R722-H724 PolarHBondContact O-N 3.07Å; H724-E727 PolarHBondContact O-N 3.32Å; H724-A728 WeakPolarHBondContact O-CB 3.34Å; H724-A728 PolarHBondContact O-N 2.84Å
725	E	91.9	Very high	92.5	Very high	43 Å²	43	49.8 Å²	49.8	20%	0.201	24%	0.235	C	C	.	.	H	α-helix	trans	-65.7	-41.2	177.5	-67.2	-171.4	-171.6	0	0	112.9	D721 R722 A728 A729 R756 F757	D721-E725 PolarHBondContact O-N 2.92Å; D721-E725 VanDerWaalsContact O-N 3.1Å; R722-E725 PolarHBondContact O-N 3.13Å; E725-A728 PolarHBondContact O-N 2.84Å; E725-A729 WeakPolarHBondContact O-CB 3.42Å; E725-A729 PolarHBondContact O-N 3.3Å; E725-R756 IonicContact OE1-CZ 2.9Å; E725-R756 VanDerWaalsContact OE1-CZ 3.32Å; E725-R756 IonicContact OE1-NH1 2.95Å; E725-R756 PolarHBondContact OE1-NH1 3.48Å; E725-R756 IonicContact OE1-NH2 3.86Å; E725-R756 PolarHBondContact OE1-NH2 3.26Å; E725-R756 IonicContact OE2-CZ 3.27Å; E725-R756 IonicContact OE2-NE 3.11Å; E725-R756 IonicContact OE2-NH1 3.97Å; E725-R756 PolarHBondContact OE2-NH1 3.42Å; E725-F757 HydrophobicContact CB-CE1 4.49Å
726	I	95.2	Very high	92.8	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-63.2	-46.5	174.4	-67	165.4	0	0	0	110.5	R722 K723 A728 A729 I730 V749 L753 F757 P759 V763 I764 R767	R722-I726 WeakPolarHBondContact O-CB 3.27Å; R722-I726 VanDerWaalsContact O-CG1 3.23Å; R722-I726 WeakPolarHBondContact O-CG1 3.49Å; R722-I726 PolarHBondContact O-N 3.46Å; K723-I726 PolarHBondContact O-N 2.63Å; I726-A728 PolarHBondContact O-N 3.49Å; I726-A729 PolarHBondContact O-N 3.42Å; I726-I730 HydrophobicContact CG2-CD1 3.7Å; I726-I730 HydrophobicContact CG2-CG1 4.35Å; I726-I730 WeakPolarHBondContact O-CD1 3.44Å; I726-I730 VanDerWaalsContact O-CG1 3.26Å; I726-I730 WeakPolarHBondContact O-CG1 3.36Å; I726-I730 PolarHBondContact O-N 3.47Å; I726-V749 HydrophobicContact CG2-CG1 4.41Å; I726-L753 HydrophobicContact CB-CD1 4.35Å; I726-L753 HydrophobicContact CG1-CD1 3.65Å; I726-F757 HydrophobicContact CD1-CE2 4.13Å; I726-F757 HydrophobicContact CD1-CZ 4.28Å; I726-F757 HydrophobicContact CG1-CE2 4.23Å; I726-F757 HydrophobicContact CG1-CZ 3.95Å; I726-P759 HydrophobicContact CD1-CB 4.12Å; I726-P759 HydrophobicContact CG1-CB 4.39Å; I726-V763 HydrophobicContact CD1-CG1 3.73Å; I726-I764 HydrophobicContact CG2-CG1 4.2Å; I726-R767 HydrophobicContact CB-CG 4.22Å; I726-R767 HydrophobicContact CG2-CB 3.91Å; I726-R767 HydrophobicContact CG2-CG 3.78Å
727	E	94.6	Very high	93	Very high	20 Å²	20	53 Å²	53	9%	0.093	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-45.8	177.8	-72.6	175.1	-166.2	0	0	111.7	K723 H724 A729 I730 V731 R767 L771 R774	K723-E727 VanDerWaalsContact O-CG 3.32Å; K723-E727 WeakPolarHBondContact O-CG 3.49Å; K723-E727 PolarHBondContact O-N 2.83Å; K723-E727 VanDerWaalsContact O-N 3.07Å; H724-E727 PolarHBondContact O-N 3.32Å; E727-A729 VanDerWaalsContact C-N 3.34Å; E727-A729 PolarHBondContact O-N 3.35Å; E727-I730 PolarHBondContact O-N 2.85Å; E727-V731 WeakPolarHBondContact O-CG2 3.48Å; E727-V731 PolarHBondContact O-N 3.5Å; E727-R767 HydrophobicContact CG-CB 4.07Å; E727-R767 HydrophobicContact CG-CG 4.25Å; E727-R767 VanDerWaalsContact OE1-CD 3.28Å; E727-R767 WeakPolarHBondContact OE1-CD 2.94Å; E727-R767 IonicContact OE1-CZ 2.76Å; E727-R767 IonicContact OE1-NE 2.75Å; E727-R767 IonicContact OE1-NH1 3.13Å; E727-R767 PolarHBondContact OE1-NH1 3.46Å; E727-L771 HydrophobicContact CB-CD1 4.48Å; E727-L771 HydrophobicContact CG-CD1 4.46Å; E727-L771 HydrophobicContact CG-CG 4.44Å; E727-R774 IonicContact OE1-NH2 3.48Å; E727-R774 PolarHBondContact OE1-NH2 3.15Å; E727-R774 IonicContact OE2-CZ 2.64Å; E727-R774 IonicContact OE2-NH1 2.73Å; E727-R774 PolarHBondContact OE2-NH1 2.94Å; E727-R774 VanDerWaalsContact OE2-NH1 3.07Å; E727-R774 IonicContact OE2-NH2 3.96Å; E727-R774 PolarHBondContact OE2-NH2 3.43Å
728	A	93.3	Very high	93.3	Very high	45 Å²	45	55.9 Å²	55.9	37%	0.372	27%	0.27	S	S	.	.	H	α-helix	trans	-63.1	-38.6	176.7	0	0	0	0	0	112.5	H724 E725 I726 R732	H724-A728 WeakPolarHBondContact O-CB 3.34Å; H724-A728 PolarHBondContact O-N 2.84Å; E725-A728 PolarHBondContact O-N 2.84Å; I726-A728 PolarHBondContact O-N 3.49Å; A728-R732 WeakPolarHBondContact O-CB 3.16Å; A728-R732 VanDerWaalsContact O-CG 3.29Å; A728-R732 WeakPolarHBondContact O-CG 3.3Å; A728-R732 PolarHBondContact O-N 3.26Å; A728-R732 PolarHBondContact O-NE 3.46Å
729	A	94.7	Very high	93.5	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.6	-49.9	174.1	0	0	0	0	0	111.6	E725 I726 E727 V731 R732 I733 V749 L753	E725-A729 WeakPolarHBondContact O-CB 3.42Å; E725-A729 PolarHBondContact O-N 3.3Å; I726-A729 PolarHBondContact O-N 3.42Å; E727-A729 VanDerWaalsContact C-N 3.34Å; E727-A729 PolarHBondContact O-N 3.35Å; A729-V731 PolarHBondContact O-N 2.76Å; A729-R732 PolarHBondContact O-N 3.29Å; A729-I733 WeakPolarHBondContact O-CG1 3.32Å; A729-I733 PolarHBondContact O-N 2.93Å; A729-V749 HydrophobicContact CB-CG1 4.44Å; A729-L753 HydrophobicContact CB-CD1 4.23Å; A729-L753 HydrophobicContact CB-CD2 4.17Å; A729-L753 HydrophobicContact CB-CG 4.21Å
730	I	95.6	Very high	93.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-56.2	-50.1	177.3	-67.2	161.2	0	0	0	110.6	I726 E727 R732 I733 M734 L745 V749 I764 R767 I768 L771 L777	I726-I730 HydrophobicContact CG2-CD1 3.7Å; I726-I730 HydrophobicContact CG2-CG1 4.35Å; I726-I730 WeakPolarHBondContact O-CD1 3.44Å; I726-I730 VanDerWaalsContact O-CG1 3.26Å; I726-I730 WeakPolarHBondContact O-CG1 3.36Å; I726-I730 PolarHBondContact O-N 3.47Å; E727-I730 PolarHBondContact O-N 2.85Å; I730-R732 PolarHBondContact O-N 2.91Å; I730-I733 PolarHBondContact O-N 3.32Å; I730-M734 HydrophobicContact CG2-CG 4.3Å; I730-M734 WeakPolarHBondContact O-CB 3.23Å; I730-M734 WeakPolarHBondContact O-CG 3.49Å; I730-M734 PolarHBondContact O-N 3.44Å; I730-L745 HydrophobicContact CG2-CD2 4.42Å; I730-V749 HydrophobicContact CG1-CG1 4.42Å; I730-V749 HydrophobicContact CG1-CG2 3.69Å; I730-I764 HydrophobicContact CD1-CG2 4.32Å; I730-R767 HydrophobicContact CD1-CB 3.89Å; I730-I768 HydrophobicContact CD1-CG1 3.84Å; I730-I768 HydrophobicContact CG1-CG1 4.48Å; I730-I768 HydrophobicContact CG2-CG1 4.43Å; I730-L771 HydrophobicContact CB-CD1 3.81Å; I730-L771 HydrophobicContact CD1-CD1 4.07Å; I730-L771 HydrophobicContact CG2-CD1 3.53Å; I730-L777 HydrophobicContact CG2-CD1 3.74Å
731	V	95.5	Very high	94	Very high	30 Å²	30	61.3 Å²	61.3	18%	0.182	29%	0.29	C	S	.	.	H	α-helix	trans	-62.3	-43.4	-178.8	171.1	0	0	0	0	111.3	E727 A729 I733 M734 K735 L771 Y776 Y789	E727-V731 WeakPolarHBondContact O-CG2 3.48Å; E727-V731 PolarHBondContact O-N 3.5Å; A729-V731 PolarHBondContact O-N 2.76Å; V731-I733 PolarHBondContact O-N 3.47Å; V731-M734 PolarHBondContact O-N 2.84Å; V731-K735 WeakPolarHBondContact O-CB 3.36Å; V731-K735 PolarHBondContact O-N 3.06Å; V731-L771 HydrophobicContact CG2-CD1 4.07Å; V731-L771 HydrophobicContact CG2-CD2 3.81Å; V731-Y776 HydrophobicContact CG2-CD1 4.19Å; V731-Y789 HydrophobicContact CG1-CE2 4.27Å
732	R	94.6	Very high	94.2	Very high	122 Å²	122	59.4 Å²	59.4	46%	0.46	28%	0.278	S	S	.	.	H	α-helix	trans	-60.9	-45.7	177.3	-76.6	-174.9	-60	-158.2	3.7	112.2	A728 A729 I730 S736	A728-R732 WeakPolarHBondContact O-CB 3.16Å; A728-R732 VanDerWaalsContact O-CG 3.29Å; A728-R732 WeakPolarHBondContact O-CG 3.3Å; A728-R732 PolarHBondContact O-N 3.26Å; A728-R732 PolarHBondContact O-NE 3.46Å; A729-R732 PolarHBondContact O-N 3.29Å; I730-R732 PolarHBondContact O-N 2.91Å; R732-S736 PolarHBondContact O-N 3.18Å
733	I	95	Very high	94.2	Very high	15 Å²	15	63.5 Å²	63.5	8%	0.077	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-52.1	178.8	-69.5	164	0	0	0	110.2	A729 I730 V731 K735 S736 R737 M740 L745 E748 V749	A729-I733 WeakPolarHBondContact O-CG1 3.32Å; A729-I733 PolarHBondContact O-N 2.93Å; I730-I733 PolarHBondContact O-N 3.32Å; V731-I733 PolarHBondContact O-N 3.47Å; I733-K735 PolarHBondContact O-N 3.34Å; I733-S736 PolarHBondContact O-N 3.36Å; I733-R737 HydrophobicContact CG2-CG 4.42Å; I733-R737 WeakPolarHBondContact O-CB 3.17Å; I733-R737 WeakPolarHBondContact O-CG 3.38Å; I733-R737 PolarHBondContact O-N 3.29Å; I733-M740 HydrophobicContact CG2-CE 3.57Å; I733-M740 HydrophobicContact CG2-SD 4.03Å; I733-L745 HydrophobicContact CB-CD1 4.3Å; I733-L745 HydrophobicContact CG2-CD1 3.75Å; I733-E748 HydrophobicContact CD1-CB 4.03Å; I733-E748 VanDerWaalsContact CG2-OE2 3.26Å; I733-E748 WeakPolarHBondContact CG2-OE2 3.27Å; I733-V749 HydrophobicContact CD1-CB 4.37Å; I733-V749 HydrophobicContact CD1-CG2 3.64Å
734	M	95.5	Very high	94.3	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.5	-35.5	-177	-74.8	-59.9	-60.7	0	0	112.7	I730 V731 S736 R737 K738 M740 L745 L777 Y787 Y789	I730-M734 HydrophobicContact CG2-CG 4.3Å; I730-M734 WeakPolarHBondContact O-CB 3.23Å; I730-M734 WeakPolarHBondContact O-CG 3.49Å; I730-M734 PolarHBondContact O-N 3.44Å; V731-M734 PolarHBondContact O-N 2.84Å; M734-S736 VanDerWaalsContact C-N 3.3Å; M734-S736 PolarHBondContact O-N 3.38Å; M734-R737 PolarHBondContact O-N 3.05Å; M734-K738 VanDerWaalsContact O-CA 3.26Å; M734-K738 WeakPolarHBondContact O-CA 3.35Å; M734-K738 PolarHBondContact O-N 3.1Å; M734-M740 HydrophobicContact SD-CB 3.73Å; M734-L745 HydrophobicContact CG-CD1 4.04Å; M734-L745 HydrophobicContact CG-CD2 4.19Å; M734-L745 HydrophobicContact SD-CD1 4.09Å; M734-L745 HydrophobicContact SD-CD2 4.05Å; M734-L777 HydrophobicContact CB-CD2 3.6Å; M734-L777 HydrophobicContact CE-CD2 3.91Å; M734-L777 HydrophobicContact CG-CD1 4.46Å; M734-L777 HydrophobicContact CG-CD2 3.6Å; M734-Y787 WeakPolarHBondContact CE-O 3.48Å; M734-Y789 HydrophobicContact CB-CD2 3.96Å; M734-Y789 HydrophobicContact CB-CG 4.41Å; M734-Y789 WeakPolarHBondContact O-CB 3.39Å
735	K	94.8	Very high	94.5	Very high	125 Å²	125	57.1 Å²	57.1	54%	0.543	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-38.2	174.6	-177.8	172.9	-178.6	173.2	0	112.3	V731 I733 K738 Y789	V731-K735 WeakPolarHBondContact O-CB 3.36Å; V731-K735 PolarHBondContact O-N 3.06Å; I733-K735 PolarHBondContact O-N 3.34Å; K735-K738 WeakPolarHBondContact O-CD 3.34Å; K735-K738 WeakPolarHBondContact O-CE 3.38Å; K735-K738 PolarHBondContact O-NZ 3.41Å; K735-Y789 HydrophobicContact CB-CD1 4.41Å; K735-Y789 HydrophobicContact CB-CD2 4.45Å; K735-Y789 HydrophobicContact CB-CE1 3.98Å; K735-Y789 HydrophobicContact CB-CE2 4.07Å; K735-Y789 HydrophobicContact CG-CE1 3.9Å
736	S	94.1	Very high	94.6	Very high	94 Å²	94	55.9 Å²	55.9	66%	0.657	27%	0.274	S	S	*	.	H	α-helix	trans	-75.7	-44.9	178.5	175.2	0	0	0	0	112.3	R732 I733 M734	R732-S736 PolarHBondContact O-N 3.18Å; I733-S736 PolarHBondContact O-N 3.36Å; M734-S736 VanDerWaalsContact C-N 3.3Å; M734-S736 PolarHBondContact O-N 3.38Å
737	R	93.4	Very high	94.6	Very high	145 Å²	145	58.5 Å²	58.5	55%	0.547	30%	0.296	S	S	.	.	H	α-helix	trans	-90.9	-19.1	-170.3	-61.9	-77.1	-151.5	178.6	7.9	113.9	I733 M734 K739 M740 E748	I733-R737 HydrophobicContact CG2-CG 4.42Å; I733-R737 WeakPolarHBondContact O-CB 3.17Å; I733-R737 WeakPolarHBondContact O-CG 3.38Å; I733-R737 PolarHBondContact O-N 3.29Å; M734-R737 PolarHBondContact O-N 3.05Å; R737-K739 PolarHBondContact O-N 3.37Å; R737-M740 HydrophobicContact CB-CE 3.56Å; R737-M740 HydrophobicContact CG-CE 3.42Å; R737-M740 VanDerWaalsContact CG-CE 3.42Å; R737-E748 IonicContact CZ-OE1 2.65Å; R737-E748 IonicContact NE-OE1 2.87Å; R737-E748 IonicContact NE-OE2 3.68Å; R737-E748 IonicContact NH2-OE1 2.7Å; R737-E748 PolarHBondContact NH2-OE1 3.13Å
738	K	93.2	Very high	94.6	Very high	116 Å²	116	60.1 Å²	60.1	50%	0.504	30%	0.303	S	S	.	.	S	Bend	trans	63.2	-40.2	-179.6	-56.5	-60.5	-172.8	-178.4	0	116.2	M734 K735 T788 Y789	M734-K738 VanDerWaalsContact O-CA 3.26Å; M734-K738 WeakPolarHBondContact O-CA 3.35Å; M734-K738 PolarHBondContact O-N 3.1Å; K735-K738 WeakPolarHBondContact O-CD 3.34Å; K735-K738 WeakPolarHBondContact O-CE 3.38Å; K735-K738 PolarHBondContact O-NZ 3.41Å; K738-T788 CarbonylContact O-C 3.49Å; K738-T788 WeakPolarHBondContact O-CA 3.47Å; K738-Y789 HydrophobicContact CD-CD1 4.3Å; K738-Y789 PolarHBondContact O-N 2.83Å
739	K	93.9	Very high	94.7	Very high	124 Å²	124	58 Å²	58	54%	0.539	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	132.9	178.8	-174.7	172.5	178.3	170.2	0	110	R737 V786 Y787 T788	R737-K739 PolarHBondContact O-N 3.37Å; K739-V786 HydrophobicContact CD-CG1 4.17Å; K739-V786 VanDerWaalsContact CE-CG1 3.43Å; K739-V786 HydrophobicContact CG-CG1 3.63Å; K739-Y787 CarbonylContact C-O 3.55Å; K739-Y787 VanDerWaalsContact CA-O 3.29Å; K739-Y787 WeakPolarHBondContact CA-O 3.36Å; K739-T788 HydrophobicContact CB-CG2 4.3Å; K739-T788 HydrophobicContact CD-CG2 4.28Å; K739-T788 HydrophobicContact CG-CG2 4.03Å
740	M	94.2	Very high	94.6	Very high	14 Å²	14	59.5 Å²	59.5	7%	0.069	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	145.4	-178.9	-163.4	173.9	-68.8	0	0	113	I733 M734 R737 V744 L745 E748 Y787	I733-M740 HydrophobicContact CG2-CE 3.57Å; I733-M740 HydrophobicContact CG2-SD 4.03Å; M734-M740 HydrophobicContact SD-CB 3.73Å; R737-M740 HydrophobicContact CB-CE 3.56Å; R737-M740 HydrophobicContact CG-CE 3.42Å; R737-M740 VanDerWaalsContact CG-CE 3.42Å; M740-V744 HydrophobicContact CG-CB 4.1Å; M740-V744 HydrophobicContact CG-CG1 4.07Å; M740-V744 HydrophobicContact SD-CB 4.42Å; M740-V744 HydrophobicContact SD-CG1 4.03Å; M740-L745 HydrophobicContact CG-CB 4.1Å; M740-L745 WeakPolarHBondContact SD-CA 3.29Å; M740-L745 HydrophobicContact SD-CB 3.67Å; M740-L745 HydrophobicContact SD-CD1 3.86Å; M740-L745 HydrophobicContact SD-CG 4.38Å; M740-E748 WeakPolarHBondContact CE-OE2 3.44Å; M740-Y787 PolarHBondContact N-O 3.08Å; M740-Y787 PolarHBondContact O-N 3.38Å
741	Q	95.9	Very high	94.5	Very high	87 Å²	87	65.5 Å²	65.5	41%	0.407	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	147.1	172.9	-163.6	-171.3	28.4	0	0	111.4	N743 V744 L745 K785 V786	Q741-N743 PolarHBondContact O-N 3.21Å; Q741-V744 HydrophobicContact CB-CG2 4.21Å; Q741-V744 PolarHBondContact O-N 3.44Å; Q741-L745 PolarHBondContact O-N 3.49Å; Q741-K785 CarbonylContact C-O 3.49Å; Q741-K785 WeakPolarHBondContact CA-O 3.42Å; Q741-V786 HydrophobicContact CG-CG2 4.44Å
742	H	94.3	Very high	94.2	Very high	39 Å²	39	67.7 Å²	67.7	18%	0.181	33%	0.331	C	S	.	.	H	α-helix	trans	-52.4	-51	-177.3	179.2	65.7	0	0	0	114.1	V744 L745 V746 K785 Y787	H742-V744 VanDerWaalsContact C-N 3.31Å; H742-V744 PolarHBondContact O-N 3.44Å; H742-L745 PolarHBondContact O-N 2.91Å; H742-V746 VanDerWaalsContact O-CG2 3.31Å; H742-V746 WeakPolarHBondContact O-CG2 3.13Å; H742-V746 PolarHBondContact O-N 2.8Å; H742-K785 PolarHBondContact N-O 3.13Å; H742-Y787 HydrophobicContact CB-CD2 4.5Å; H742-Y787 HydrophobicContact CB-CE2 3.61Å; H742-Y787 AromaticContact CG-CE2 3.94Å; H742-Y787 AromaticContact ND1-CE2 3.51Å; H742-Y787 AromaticContact ND1-CZ 3.86Å; H742-Y787 PolarHBondContact ND1-OH 3.4Å
743	N	94.5	Very high	94.1	Very high	113 Å²	113	62.3 Å²	62.3	60%	0.604	31%	0.312	S	S	*	.	H	α-helix	trans	-64.6	-37.9	-177.3	-67.7	-10.1	0	0	0	111.9	Q741 A747	Q741-N743 PolarHBondContact O-N 3.21Å; N743-A747 WeakPolarHBondContact O-CB 3.35Å; N743-A747 PolarHBondContact O-N 3.19Å
744	V	94.8	Very high	93.7	Very high	66 Å²	66	68.5 Å²	68.5	40%	0.4	33%	0.334	S	S	.	.	H	α-helix	trans	-67.6	-43	176.6	-177.5	0	0	0	0	110.4	M740 Q741 H742 A747 E748	M740-V744 HydrophobicContact CG-CB 4.1Å; M740-V744 HydrophobicContact CG-CG1 4.07Å; M740-V744 HydrophobicContact SD-CB 4.42Å; M740-V744 HydrophobicContact SD-CG1 4.03Å; Q741-V744 HydrophobicContact CB-CG2 4.21Å; Q741-V744 PolarHBondContact O-N 3.44Å; H742-V744 VanDerWaalsContact C-N 3.31Å; H742-V744 PolarHBondContact O-N 3.44Å; V744-A747 PolarHBondContact O-N 2.87Å; V744-E748 PolarHBondContact O-N 3.41Å
745	L	94.8	Very high	93.2	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.9	-45.4	176.8	179.8	60.3	0	0	0	111.8	I730 I733 M734 M740 Q741 H742 A747 E748 V749 I768 Y787	I730-L745 HydrophobicContact CG2-CD2 4.42Å; I733-L745 HydrophobicContact CB-CD1 4.3Å; I733-L745 HydrophobicContact CG2-CD1 3.75Å; M734-L745 HydrophobicContact CG-CD1 4.04Å; M734-L745 HydrophobicContact CG-CD2 4.19Å; M734-L745 HydrophobicContact SD-CD1 4.09Å; M734-L745 HydrophobicContact SD-CD2 4.05Å; M740-L745 HydrophobicContact CG-CB 4.1Å; M740-L745 WeakPolarHBondContact SD-CA 3.29Å; M740-L745 HydrophobicContact SD-CB 3.67Å; M740-L745 HydrophobicContact SD-CD1 3.86Å; M740-L745 HydrophobicContact SD-CG 4.38Å; Q741-L745 PolarHBondContact O-N 3.49Å; H742-L745 PolarHBondContact O-N 2.91Å; L745-A747 VanDerWaalsContact C-N 3.3Å; L745-A747 PolarHBondContact O-N 3.01Å; L745-E748 PolarHBondContact O-N 3.38Å; L745-V749 HydrophobicContact CD1-CG2 3.97Å; L745-V749 HydrophobicContact CG-CG2 4.34Å; L745-V749 WeakPolarHBondContact O-CB 3.44Å; L745-V749 WeakPolarHBondContact O-CG2 3.28Å; L745-V749 PolarHBondContact O-N 3.46Å; L745-I768 HydrophobicContact CD2-CD1 3.81Å; L745-I768 HydrophobicContact CD2-CG1 4.3Å; L745-I768 HydrophobicContact CG-CD1 4.46Å; L745-Y787 HydrophobicContact CD2-CD2 3.9Å; L745-Y787 HydrophobicContact CD2-CE2 4.43Å
746	V	95.3	Very high	92.9	Very high	17 Å²	17	67.7 Å²	67.7	10%	0.103	34%	0.336	C	S	.	.	H	α-helix	trans	-60	-42.8	176	171.3	0	0	0	0	110.5	H742 T750 P761 I764	H742-V746 VanDerWaalsContact O-CG2 3.31Å; H742-V746 WeakPolarHBondContact O-CG2 3.13Å; H742-V746 PolarHBondContact O-N 2.8Å; V746-T750 WeakPolarHBondContact O-CB 3.23Å; V746-T750 PolarHBondContact O-N 3.36Å; V746-T750 PolarHBondContact O-OG1 3.04Å; V746-P761 HydrophobicContact CG1-CB 4.14Å; V746-P761 HydrophobicContact CG1-CG 4.49Å; V746-I764 HydrophobicContact CG1-CD1 4.11Å; V746-I764 HydrophobicContact CG2-CG2 4.03Å
747	A	94.7	Very high	92.7	Very high	57 Å²	57	63.5 Å²	63.5	47%	0.471	31%	0.306	S	S	.	.	H	α-helix	trans	-65.2	-46.2	177	0	0	0	0	0	112.6	N743 V744 L745 T750 Q751	N743-A747 WeakPolarHBondContact O-CB 3.35Å; N743-A747 PolarHBondContact O-N 3.19Å; V744-A747 PolarHBondContact O-N 2.87Å; L745-A747 VanDerWaalsContact C-N 3.3Å; L745-A747 PolarHBondContact O-N 3.01Å; A747-T750 PolarHBondContact O-N 3.02Å; A747-Q751 WeakPolarHBondContact O-CB 3.34Å; A747-Q751 PolarHBondContact O-N 2.75Å
748	E	94.8	Very high	92.5	Very high	54 Å²	54	61.1 Å²	61.1	25%	0.252	30%	0.304	S	S	.	.	H	α-helix	trans	-63.7	-42.6	177.6	-75.4	-159.7	178.5	0	0	111.7	I733 R737 M740 V744 L745 Q751 Q752	I733-E748 HydrophobicContact CD1-CB 4.03Å; I733-E748 VanDerWaalsContact CG2-OE2 3.26Å; I733-E748 WeakPolarHBondContact CG2-OE2 3.27Å; R737-E748 IonicContact CZ-OE1 2.65Å; R737-E748 IonicContact NE-OE1 2.87Å; R737-E748 IonicContact NE-OE2 3.68Å; R737-E748 IonicContact NH2-OE1 2.7Å; R737-E748 PolarHBondContact NH2-OE1 3.13Å; M740-E748 WeakPolarHBondContact CE-OE2 3.44Å; V744-E748 PolarHBondContact O-N 3.41Å; L745-E748 PolarHBondContact O-N 3.38Å; E748-Q751 PolarHBondContact O-N 2.89Å; E748-Q752 WeakPolarHBondContact O-CB 3.16Å; E748-Q752 PolarHBondContact O-N 3.33Å
749	V	95.1	Very high	92.4	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.4	-45.1	175.8	171.6	0	0	0	0	110.9	I726 A729 I730 I733 L745 Q751 Q752 L753 I764	I726-V749 HydrophobicContact CG2-CG1 4.41Å; A729-V749 HydrophobicContact CB-CG1 4.44Å; I730-V749 HydrophobicContact CG1-CG1 4.42Å; I730-V749 HydrophobicContact CG1-CG2 3.69Å; I733-V749 HydrophobicContact CD1-CB 4.37Å; I733-V749 HydrophobicContact CD1-CG2 3.64Å; L745-V749 HydrophobicContact CD1-CG2 3.97Å; L745-V749 HydrophobicContact CG-CG2 4.34Å; L745-V749 WeakPolarHBondContact O-CB 3.44Å; L745-V749 WeakPolarHBondContact O-CG2 3.28Å; L745-V749 PolarHBondContact O-N 3.46Å; V749-Q751 VanDerWaalsContact C-N 3.34Å; V749-Q751 PolarHBondContact O-N 2.98Å; V749-Q752 PolarHBondContact O-N 3.34Å; V749-L753 HydrophobicContact CG1-CD1 3.92Å; V749-L753 WeakPolarHBondContact O-CG 3.28Å; V749-L753 PolarHBondContact O-N 3.34Å; V749-L753 VanDerWaalsContact O-N 3.07Å; V749-I764 HydrophobicContact CB-CD1 4.3Å; V749-I764 HydrophobicContact CG1-CD1 3.86Å; V749-I764 HydrophobicContact CG1-CG1 4.09Å; V749-I764 HydrophobicContact CG1-CG2 4.32Å
750	T	93.7	Very high	92.2	Very high	32 Å²	32	52.8 Å²	52.8	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-44.6	177.7	-56.3	0	0	0	0	110.8	V746 A747 L753 R754 L758 P759	V746-T750 WeakPolarHBondContact O-CB 3.23Å; V746-T750 PolarHBondContact O-N 3.36Å; V746-T750 PolarHBondContact O-OG1 3.04Å; A747-T750 PolarHBondContact O-N 3.02Å; T750-L753 PolarHBondContact O-N 3.24Å; T750-R754 WeakPolarHBondContact O-CB 3.47Å; T750-R754 PolarHBondContact O-N 3.47Å; T750-L758 HydrophobicContact CG2-CD1 3.75Å; T750-P759 HydrophobicContact CG2-CG 4.34Å
751	Q	92	Very high	92.1	Very high	125 Å²	125	55.9 Å²	55.9	58%	0.584	30%	0.297	S	S	*	.	H	α-helix	trans	-65	-39.4	178.3	-177.5	60	26.6	0	0	112.3	A747 E748 V749	A747-Q751 WeakPolarHBondContact O-CB 3.34Å; A747-Q751 PolarHBondContact O-N 2.75Å; E748-Q751 PolarHBondContact O-N 2.89Å; V749-Q751 VanDerWaalsContact C-N 3.34Å; V749-Q751 PolarHBondContact O-N 2.98Å
752	Q	90.7	Very high	92	Very high	77 Å²	77	57 Å²	57	36%	0.36	31%	0.309	S	S	.	.	H	α-helix	trans	-67.1	-35.6	178.4	-171.4	177.1	29.3	0	0	112.5	E748 V749	E748-Q752 WeakPolarHBondContact O-CB 3.16Å; E748-Q752 PolarHBondContact O-N 3.33Å; V749-Q752 PolarHBondContact O-N 3.34Å
753	L	91.1	Very high	92	Very high	9 Å²	9	58 Å²	58	5%	0.047	32%	0.318	C	S	.	.	H	α-helix	trans	-90.8	-13.4	-177.3	-65.6	174.6	0	0	0	114.1	I726 A729 V749 T750 S755 R756 F757 P759	I726-L753 HydrophobicContact CB-CD1 4.35Å; I726-L753 HydrophobicContact CG1-CD1 3.65Å; A729-L753 HydrophobicContact CB-CD1 4.23Å; A729-L753 HydrophobicContact CB-CD2 4.17Å; A729-L753 HydrophobicContact CB-CG 4.21Å; V749-L753 HydrophobicContact CG1-CD1 3.92Å; V749-L753 WeakPolarHBondContact O-CG 3.28Å; V749-L753 PolarHBondContact O-N 3.34Å; V749-L753 VanDerWaalsContact O-N 3.07Å; T750-L753 PolarHBondContact O-N 3.24Å; L753-S755 PolarHBondContact O-N 3.2Å; L753-R756 PolarHBondContact O-N 3.44Å; L753-F757 CarbonylContact C-O 3.5Å; L753-F757 VanDerWaalsContact C-O 3.3Å; L753-F757 HydrophobicContact CD1-CE2 4.5Å; L753-F757 HydrophobicContact CD1-CZ 3.99Å; L753-F757 HydrophobicContact CD2-CE1 4.43Å; L753-F757 PolarHBondContact O-N 3.35Å; L753-P759 HydrophobicContact CB-CG 4.25Å; L753-P759 HydrophobicContact CD1-CB 4.48Å; L753-P759 HydrophobicContact CD1-CG 4.14Å
754	R	87.6	Confident	91.9	Very high	145 Å²	145	52.6 Å²	52.6	55%	0.547	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-28.4	-176.6	-173.2	176.5	-179.6	-175.8	0.3	114.6	T750 R756	T750-R754 WeakPolarHBondContact O-CB 3.47Å; T750-R754 PolarHBondContact O-N 3.47Å; R754-R756 PolarHBondContact O-N 2.96Å
755	S	85.1	Confident	91.9	Very high	58 Å²	58	54.3 Å²	54.3	41%	0.406	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.3	176.7	59	0	0	0	0	113.6	K448 L753	K448-S755 WeakPolarHBondContact CD-O 3.49Å; L753-S755 PolarHBondContact O-N 3.2Å
756	R	87.2	Confident	91.9	Very high	50 Å²	50	60.6 Å²	60.6	19%	0.189	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-49.7	-179.4	-60	-169.3	72.9	-166.3	-0.7	113	K448 D449 E452 E725 L753 R754	K448-R756 WeakPolarHBondContact CA-O 3.46Å; K448-R756 WeakPolarHBondContact CB-O 3.49Å; K448-R756 PolarHBondContact N-O 3.32Å; D449-R756 PolarHBondContact N-O 3.12Å; E452-R756 IonicContact OE2-CZ 2.88Å; E452-R756 IonicContact OE2-NE 2.92Å; E452-R756 IonicContact OE2-NH2 3.97Å; E452-R756 PolarHBondContact OE2-NH2 2.85Å; E725-R756 IonicContact OE1-CZ 2.9Å; E725-R756 VanDerWaalsContact OE1-CZ 3.32Å; E725-R756 IonicContact OE1-NH1 2.95Å; E725-R756 PolarHBondContact OE1-NH1 3.48Å; E725-R756 IonicContact OE1-NH2 3.86Å; E725-R756 PolarHBondContact OE1-NH2 3.26Å; E725-R756 IonicContact OE2-CZ 3.27Å; E725-R756 IonicContact OE2-NE 3.11Å; E725-R756 IonicContact OE2-NH1 3.97Å; E725-R756 PolarHBondContact OE2-NH1 3.42Å; L753-R756 PolarHBondContact O-N 3.44Å; R754-R756 PolarHBondContact O-N 2.96Å
757	F	91.3	Very high	91.9	Very high	6 Å²	6	62.1 Å²	62.1	3%	0.026	32%	0.322	C	S	.	.			trans	-156.5	163.5	177.3	66.3	-84.6	0	0	0	111.3	Q446 D449 R722 E725 I726 L753 P759	Q446-F757 WeakPolarHBondContact O-CA 3.36Å; D449-F757 WeakPolarHBondContact OD2-CD1 3.48Å; R722-F757 HydrophobicContact CB-CE1 4.43Å; R722-F757 HydrophobicContact CB-CE2 4.15Å; R722-F757 HydrophobicContact CB-CZ 3.89Å; R722-F757 HydrophobicContact CG-CD1 4.19Å; R722-F757 HydrophobicContact CG-CD2 4.21Å; R722-F757 HydrophobicContact CG-CE1 3.88Å; R722-F757 HydrophobicContact CG-CE2 3.88Å; R722-F757 HydrophobicContact CG-CG 4.35Å; R722-F757 HydrophobicContact CG-CZ 3.71Å; E725-F757 HydrophobicContact CB-CE1 4.49Å; I726-F757 HydrophobicContact CD1-CE2 4.13Å; I726-F757 HydrophobicContact CD1-CZ 4.28Å; I726-F757 HydrophobicContact CG1-CE2 4.23Å; I726-F757 HydrophobicContact CG1-CZ 3.95Å; L753-F757 CarbonylContact C-O 3.5Å; L753-F757 VanDerWaalsContact C-O 3.3Å; L753-F757 HydrophobicContact CD1-CE2 4.5Å; L753-F757 HydrophobicContact CD1-CZ 3.99Å; L753-F757 HydrophobicContact CD2-CE1 4.43Å; L753-F757 PolarHBondContact O-N 3.35Å; F757-P759 HydrophobicContact CD2-CB 4.35Å; F757-P759 HydrophobicContact CE2-CB 3.85Å; F757-P759 WeakPolarHBondContact O-CD 3.48Å
758	L	88.8	Confident	91.9	Very high	95 Å²	95	59.4 Å²	59.4	50%	0.497	30%	0.3	S	S	.	.			trans	-97.5	100.3	176.4	-169.4	66.9	0	0	0	110.1	T750	T750-L758 HydrophobicContact CG2-CD1 3.75Å
759	P	90.4	Very high	91.9	Very high	8 Å²	8	60 Å²	60	5%	0.052	30%	0.303	C	S	.	.			trans	-69.2	136.7	-179.6	28.2	-36.3	0	0	0	111.6	I726 T750 L753 F757 I764	I726-P759 HydrophobicContact CD1-CB 4.12Å; I726-P759 HydrophobicContact CG1-CB 4.39Å; T750-P759 HydrophobicContact CG2-CG 4.34Å; L753-P759 HydrophobicContact CB-CG 4.25Å; L753-P759 HydrophobicContact CD1-CB 4.48Å; L753-P759 HydrophobicContact CD1-CG 4.14Å; F757-P759 HydrophobicContact CD2-CB 4.35Å; F757-P759 HydrophobicContact CE2-CB 3.85Å; F757-P759 WeakPolarHBondContact O-CD 3.48Å; P759-I764 HydrophobicContact CB-CD1 3.94Å; P759-I764 HydrophobicContact CB-CG1 4.02Å; P759-I764 HydrophobicContact CG-CD1 3.89Å; P759-I764 HydrophobicContact CG-CG1 4.47Å
760	S	90.6	Very high	91.8	Very high	56 Å²	56	60.6 Å²	60.6	39%	0.392	31%	0.309	S	S	.	.			trans	-69.3	135.1	171.4	169.8	0	0	0	0	110.9	V762 V763 I764	S760-V762 PolarHBondContact O-N 3.48Å; S760-V762 VanDerWaalsContact O-N 3.11Å; S760-V762 PolarHBondContact OG-N 3.23Å; S760-V763 PolarHBondContact O-N 3.18Å; S760-I764 PolarHBondContact O-N 3Å; S760-I764 VanDerWaalsContact O-N 3.11Å
761	P	92.4	Very high	91.9	Very high	79 Å²	79	59.2 Å²	59.2	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-53.4	-33	175.3	-28.6	35.8	0	0	0	113.7	V746 I764 K765	V746-P761 HydrophobicContact CG1-CB 4.14Å; V746-P761 HydrophobicContact CG1-CG 4.49Å; P761-I764 PolarHBondContact O-N 3.11Å; P761-K765 PolarHBondContact O-N 3.4Å
762	V	93.5	Very high	92	Very high	110 Å²	110	55.5 Å²	55.5	67%	0.667	28%	0.284	S	S	*	.	H	α-helix	trans	-65.3	-41.7	177.8	-179.1	0	0	0	0	111.1	S760 K765 K766	S760-V762 PolarHBondContact O-N 3.48Å; S760-V762 VanDerWaalsContact O-N 3.11Å; S760-V762 PolarHBondContact OG-N 3.23Å; V762-K765 PolarHBondContact O-N 3.46Å; V762-K766 PolarHBondContact O-N 3.46Å; V762-K766 VanDerWaalsContact O-N 3.08Å
763	V	92.8	Very high	92.1	Very high	60 Å²	60	59.7 Å²	59.7	36%	0.364	30%	0.303	S	S	.	.	H	α-helix	trans	-68.3	-43.5	178.7	179.3	0	0	0	0	110.1	I726 S760 K765 K766 R767	I726-V763 HydrophobicContact CD1-CG1 3.73Å; S760-V763 PolarHBondContact O-N 3.18Å; V763-K765 VanDerWaalsContact C-N 3.32Å; V763-K765 PolarHBondContact O-N 2.88Å; V763-K766 PolarHBondContact O-N 2.98Å; V763-R767 HydrophobicContact CG1-CG 4.48Å; V763-R767 WeakPolarHBondContact O-CG 3.38Å; V763-R767 PolarHBondContact O-N 3.01Å
764	I	94.2	Very high	92.3	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-57.3	-47	175.9	-62.6	169.9	0	0	0	110.2	I726 I730 V746 V749 P759 S760 P761 K766 R767 I768	I726-I764 HydrophobicContact CG2-CG1 4.2Å; I730-I764 HydrophobicContact CD1-CG2 4.32Å; V746-I764 HydrophobicContact CG1-CD1 4.11Å; V746-I764 HydrophobicContact CG2-CG2 4.03Å; V749-I764 HydrophobicContact CB-CD1 4.3Å; V749-I764 HydrophobicContact CG1-CD1 3.86Å; V749-I764 HydrophobicContact CG1-CG1 4.09Å; V749-I764 HydrophobicContact CG1-CG2 4.32Å; P759-I764 HydrophobicContact CB-CD1 3.94Å; P759-I764 HydrophobicContact CB-CG1 4.02Å; P759-I764 HydrophobicContact CG-CD1 3.89Å; P759-I764 HydrophobicContact CG-CG1 4.47Å; S760-I764 PolarHBondContact O-N 3Å; S760-I764 VanDerWaalsContact O-N 3.11Å; P761-I764 PolarHBondContact O-N 3.11Å; I764-K766 PolarHBondContact O-N 3.47Å; I764-R767 PolarHBondContact O-N 3.27Å; I764-R767 VanDerWaalsContact O-N 3.1Å; I764-I768 HydrophobicContact CG2-CD1 3.98Å; I764-I768 HydrophobicContact CG2-CG1 4.41Å; I764-I768 WeakPolarHBondContact O-CG1 3.4Å; I764-I768 PolarHBondContact O-N 3.47Å
765	K	93.6	Very high	92.5	Very high	102 Å²	102	65.6 Å²	65.6	44%	0.443	33%	0.332	S	S	.	.	H	α-helix	trans	-57	-48.3	177	-176.8	-176.7	172.6	-171.8	0	112	P761 V762 V763 R767 I768 E769	P761-K765 PolarHBondContact O-N 3.4Å; V762-K765 PolarHBondContact O-N 3.46Å; V763-K765 VanDerWaalsContact C-N 3.32Å; V763-K765 PolarHBondContact O-N 2.88Å; K765-R767 PolarHBondContact O-N 3.17Å; K765-I768 WeakPolarHBondContact O-CB 3.33Å; K765-I768 PolarHBondContact O-N 3.27Å; K765-I768 VanDerWaalsContact O-N 3.15Å; K765-E769 VanDerWaalsContact CE-OE1 3.26Å; K765-E769 WeakPolarHBondContact CE-OE1 3.35Å; K765-E769 WeakPolarHBondContact O-CG 3.41Å; K765-E769 PolarHBondContact O-N 3.32Å
766	K	95.1	Very high	92.8	Very high	133 Å²	133	67.5 Å²	67.5	58%	0.578	33%	0.331	S	S	*	.	H	α-helix	trans	-60.7	-32.4	177.4	-172.5	177	-178.6	174.7	0	112.5	V762 V763 I764 G770	V762-K766 PolarHBondContact O-N 3.46Å; V762-K766 VanDerWaalsContact O-N 3.08Å; V763-K766 PolarHBondContact O-N 2.98Å; I764-K766 PolarHBondContact O-N 3.47Å; K766-G770 PolarHBondContact O-N 2.96Å
767	R	95.4	Very high	93.1	Very high	48 Å²	48	65.3 Å²	65.3	18%	0.181	32%	0.323	C	S	.	.	H	α-helix	trans	-75.1	-37.3	175.7	-65.4	-58.1	83.5	-170	-0.1	112.3	I726 E727 I730 V763 I764 K765 E769 G770 L771	I726-R767 HydrophobicContact CB-CG 4.22Å; I726-R767 HydrophobicContact CG2-CB 3.91Å; I726-R767 HydrophobicContact CG2-CG 3.78Å; E727-R767 HydrophobicContact CG-CB 4.07Å; E727-R767 HydrophobicContact CG-CG 4.25Å; E727-R767 VanDerWaalsContact OE1-CD 3.28Å; E727-R767 WeakPolarHBondContact OE1-CD 2.94Å; E727-R767 IonicContact OE1-CZ 2.76Å; E727-R767 IonicContact OE1-NE 2.75Å; E727-R767 IonicContact OE1-NH1 3.13Å; E727-R767 PolarHBondContact OE1-NH1 3.46Å; I730-R767 HydrophobicContact CD1-CB 3.89Å; V763-R767 HydrophobicContact CG1-CG 4.48Å; V763-R767 WeakPolarHBondContact O-CG 3.38Å; V763-R767 PolarHBondContact O-N 3.01Å; I764-R767 PolarHBondContact O-N 3.27Å; I764-R767 VanDerWaalsContact O-N 3.1Å; K765-R767 PolarHBondContact O-N 3.17Å; R767-E769 VanDerWaalsContact C-N 3.33Å; R767-G770 PolarHBondContact O-N 2.82Å; R767-L771 WeakPolarHBondContact O-CG 3.47Å; R767-L771 PolarHBondContact O-N 3.32Å
768	I	94.8	Very high	93.1	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-60.2	-45.2	172.2	-66.5	166.7	0	0	0	110.2	I730 L745 I764 K765 G770 L771 I772 L777 Y787	I730-I768 HydrophobicContact CD1-CG1 3.84Å; I730-I768 HydrophobicContact CG1-CG1 4.48Å; I730-I768 HydrophobicContact CG2-CG1 4.43Å; L745-I768 HydrophobicContact CD2-CD1 3.81Å; L745-I768 HydrophobicContact CD2-CG1 4.3Å; L745-I768 HydrophobicContact CG-CD1 4.46Å; I764-I768 HydrophobicContact CG2-CD1 3.98Å; I764-I768 HydrophobicContact CG2-CG1 4.41Å; I764-I768 WeakPolarHBondContact O-CG1 3.4Å; I764-I768 PolarHBondContact O-N 3.47Å; K765-I768 WeakPolarHBondContact O-CB 3.33Å; K765-I768 PolarHBondContact O-N 3.27Å; K765-I768 VanDerWaalsContact O-N 3.15Å; I768-G770 PolarHBondContact O-N 3.43Å; I768-L771 PolarHBondContact O-N 3.42Å; I768-L771 VanDerWaalsContact O-N 3.09Å; I768-I772 HydrophobicContact CG2-CD1 3.99Å; I768-I772 HydrophobicContact CG2-CG1 4.47Å; I768-I772 WeakPolarHBondContact O-CG1 3.42Å; I768-I772 PolarHBondContact O-N 2.98Å; I768-L777 HydrophobicContact CG2-CD1 4.23Å; I768-Y787 HydrophobicContact CD1-CE2 4.28Å; I768-Y787 HydrophobicContact CG2-CD1 4.24Å; I768-Y787 HydrophobicContact CG2-CE1 3.84Å; I768-Y787 HydrophobicContact CG2-CE2 4.17Å
769	E	93.8	Very high	93.4	Very high	67 Å²	67	67.1 Å²	67.1	31%	0.313	33%	0.329	S	S	.	.	H	α-helix	trans	-57.7	-48.6	177.2	-71.8	167.5	176.3	0	0	111.6	K765 R767 L771 I772 E773	K765-E769 VanDerWaalsContact CE-OE1 3.26Å; K765-E769 WeakPolarHBondContact CE-OE1 3.35Å; K765-E769 WeakPolarHBondContact O-CG 3.41Å; K765-E769 PolarHBondContact O-N 3.32Å; R767-E769 VanDerWaalsContact C-N 3.33Å; E769-L771 PolarHBondContact O-N 2.88Å; E769-I772 WeakPolarHBondContact O-CB 3.42Å; E769-I772 PolarHBondContact O-N 2.61Å; E769-E773 PolarHBondContact O-N 3.25Å
770	G	94.1	Very high	93.3	Very high	12 Å²	12	67.2 Å²	67.2	12%	0.124	33%	0.33	C	S	.	.	H	α-helix	trans	-66.7	-20.4	175.7	0	0	0	0	0	114.8	K766 R767 I768 R774	K766-G770 PolarHBondContact O-N 2.96Å; R767-G770 PolarHBondContact O-N 2.82Å; I768-G770 PolarHBondContact O-N 3.43Å; G770-R774 WeakPolarHBondContact O-CG 3.45Å; G770-R774 PolarHBondContact O-N 2.95Å; G770-R774 PolarHBondContact O-NE 3.45Å
771	L	94.9	Very high	93	Very high	3 Å²	3	70.4 Å²	70.4	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-81.5	-27.7	171.3	-75.3	169.8	0	0	0	112.3	E727 I730 V731 R767 I768 E769 R774 E775 Y776 L777	E727-L771 HydrophobicContact CB-CD1 4.48Å; E727-L771 HydrophobicContact CG-CD1 4.46Å; E727-L771 HydrophobicContact CG-CG 4.44Å; I730-L771 HydrophobicContact CB-CD1 3.81Å; I730-L771 HydrophobicContact CD1-CD1 4.07Å; I730-L771 HydrophobicContact CG2-CD1 3.53Å; V731-L771 HydrophobicContact CG2-CD1 4.07Å; V731-L771 HydrophobicContact CG2-CD2 3.81Å; R767-L771 WeakPolarHBondContact O-CG 3.47Å; R767-L771 PolarHBondContact O-N 3.32Å; I768-L771 PolarHBondContact O-N 3.42Å; I768-L771 VanDerWaalsContact O-N 3.09Å; E769-L771 PolarHBondContact O-N 2.88Å; L771-R774 VanDerWaalsContact CD2-NH2 3.35Å; L771-E775 PolarHBondContact O-N 2.86Å; L771-Y776 HydrophobicContact CD2-CD2 4.17Å; L771-Y776 HydrophobicContact CD2-CG 4.1Å; L771-Y776 PolarHBondContact O-N 3.01Å; L771-L777 HydrophobicContact CB-CD1 3.97Å; L771-L777 HydrophobicContact CB-CG 4.23Å; L771-L777 HydrophobicContact CD1-CD1 4.21Å; L771-L777 PolarHBondContact O-N 3.42Å
772	I	94	Very high	92.7	Very high	47 Å²	47	74 Å²	74	24%	0.241	36%	0.359	C	S	.	.	H	α-helix	trans	-70.7	-44.5	172	-66	165.3	0	0	0	110.2	I768 E769 R774 E775 L777 R779 Y787	I768-I772 HydrophobicContact CG2-CD1 3.99Å; I768-I772 HydrophobicContact CG2-CG1 4.47Å; I768-I772 WeakPolarHBondContact O-CG1 3.42Å; I768-I772 PolarHBondContact O-N 2.98Å; E769-I772 WeakPolarHBondContact O-CB 3.42Å; E769-I772 PolarHBondContact O-N 2.61Å; I772-R774 PolarHBondContact O-N 3.19Å; I772-E775 PolarHBondContact O-N 3.49Å; I772-L777 WeakPolarHBondContact CA-O 3.38Å; I772-L777 HydrophobicContact CG1-CB 3.91Å; I772-R779 HydrophobicContact CD1-CG 4.25Å; I772-Y787 HydrophobicContact CD1-CD1 4.23Å; I772-Y787 HydrophobicContact CD1-CE1 3.98Å
773	E	93.9	Very high	92.5	Very high	165 Å²	165	71.7 Å²	71.7	77%	0.771	34%	0.343	S	S	*	.	H	α-helix	trans	-59.5	-31.1	176	-71.2	171.8	-176.5	0	0	112.7	E769 E775	E769-E773 PolarHBondContact O-N 3.25Å; E773-E775 VanDerWaalsContact C-N 3.32Å
774	R	94.5	Very high	92.2	Very high	118 Å²	118	78.4 Å²	78.4	45%	0.445	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	12.2	175.7	-68.7	-179.7	-68.6	173.4	-1.6	113.5	E727 G770 L771 I772 Y776	E727-R774 IonicContact OE1-NH2 3.48Å; E727-R774 PolarHBondContact OE1-NH2 3.15Å; E727-R774 IonicContact OE2-CZ 2.64Å; E727-R774 IonicContact OE2-NH1 2.73Å; E727-R774 PolarHBondContact OE2-NH1 2.94Å; E727-R774 VanDerWaalsContact OE2-NH1 3.07Å; E727-R774 IonicContact OE2-NH2 3.96Å; E727-R774 PolarHBondContact OE2-NH2 3.43Å; G770-R774 WeakPolarHBondContact O-CG 3.45Å; G770-R774 PolarHBondContact O-N 2.95Å; G770-R774 PolarHBondContact O-NE 3.45Å; L771-R774 VanDerWaalsContact CD2-NH2 3.35Å; I772-R774 PolarHBondContact O-N 3.19Å; R774-Y776 HydrophobicContact CB-CD2 3.8Å; R774-Y776 HydrophobicContact CB-CE2 4.13Å; R774-Y776 VanDerWaalsContact O-CD2 3.31Å; R774-Y776 WeakPolarHBondContact O-CD2 3.34Å; R774-Y776 PolarHBondContact O-N 2.96Å; R774-Y776 VanDerWaalsContact O-N 3.1Å
775	E	92.2	Very high	92	Very high	159 Å²	159	84.9 Å²	84.9	74%	0.743	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	17.7	175.7	-53.6	-175.2	156.3	0	0	115.7	L771 I772 E773	L771-E775 PolarHBondContact O-N 2.86Å; I772-E775 PolarHBondContact O-N 3.49Å; E773-E775 VanDerWaalsContact C-N 3.32Å
776	Y	91.1	Very high	91.9	Very high	99 Å²	99	81 Å²	81	39%	0.388	38%	0.375	S	S	.	.	S	Bend	trans	-75.6	-30.1	172.4	-78.6	-93.9	0	0	0	112.4	V731 L771 R774 Y789 V790 A791	V731-Y776 HydrophobicContact CG2-CD1 4.19Å; L771-Y776 HydrophobicContact CD2-CD2 4.17Å; L771-Y776 HydrophobicContact CD2-CG 4.1Å; L771-Y776 PolarHBondContact O-N 3.01Å; R774-Y776 HydrophobicContact CB-CD2 3.8Å; R774-Y776 HydrophobicContact CB-CE2 4.13Å; R774-Y776 VanDerWaalsContact O-CD2 3.31Å; R774-Y776 WeakPolarHBondContact O-CD2 3.34Å; R774-Y776 PolarHBondContact O-N 2.96Å; R774-Y776 VanDerWaalsContact O-N 3.1Å; Y776-Y789 WeakPolarHBondContact O-CD2 3.43Å; Y776-V790 PolarHBondContact O-N 2.98Å; Y776-V790 VanDerWaalsContact O-N 3.15Å; Y776-A791 HydrophobicContact CD1-CB 3.95Å; Y776-A791 HydrophobicContact CE1-CB 4.42Å; Y776-A791 HydrophobicContact CG-CB 4.47Å
777	L	93.7	Very high	91.9	Very high	3 Å²	3	75.3 Å²	75.3	2%	0.016	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	151.2	-179.1	-59.1	176.8	0	0	0	110.7	I730 M734 I768 L771 I772 T788 Y789	I730-L777 HydrophobicContact CG2-CD1 3.74Å; M734-L777 HydrophobicContact CB-CD2 3.6Å; M734-L777 HydrophobicContact CE-CD2 3.91Å; M734-L777 HydrophobicContact CG-CD1 4.46Å; M734-L777 HydrophobicContact CG-CD2 3.6Å; I768-L777 HydrophobicContact CG2-CD1 4.23Å; L771-L777 HydrophobicContact CB-CD1 3.97Å; L771-L777 HydrophobicContact CB-CG 4.23Å; L771-L777 HydrophobicContact CD1-CD1 4.21Å; L771-L777 PolarHBondContact O-N 3.42Å; I772-L777 WeakPolarHBondContact CA-O 3.38Å; I772-L777 HydrophobicContact CG1-CB 3.91Å; L777-T788 CarbonylContact C-O 3.54Å; L777-T788 WeakPolarHBondContact CA-O 3.49Å; L777-Y789 HydrophobicContact CD2-CD2 4.04Å
778	A	92.5	Very high	91.8	Very high	31 Å²	31	74.9 Å²	74.9	26%	0.256	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	156.4	171.4	0	0	0	0	0	110.2	Y787 T788 V790	A778-Y787 CarbonylContact O-C 3.56Å; A778-Y787 VanDerWaalsContact O-CA 3.28Å; A778-Y787 WeakPolarHBondContact O-CA 3.37Å; A778-T788 PolarHBondContact N-O 3.23Å; A778-T788 PolarHBondContact O-N 2.94Å; A778-T788 PolarHBondContact O-OG1 3.08Å; A778-V790 HydrophobicContact CB-CG1 4.48Å; A778-V790 HydrophobicContact CB-CG2 3.68Å; A778-V790 VanDerWaalsContact N-CG2 3.34Å
779	R	93.2	Very high	91.8	Very high	109 Å²	109	76.5 Å²	76.5	41%	0.411	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	141.2	168.8	-68.5	179.3	-177.6	154.8	2.7	108.8	I772 Y787	I772-R779 HydrophobicContact CD1-CG 4.25Å; R779-Y787 HydrophobicContact CG-CD1 3.98Å; R779-Y787 HydrophobicContact CG-CE1 3.87Å
780	T	90.1	Very high	91.6	Very high	10 Å²	10	77.5 Å²	77.5	6%	0.061	37%	0.369	C	S	.	.			trans	-67.2	145.1	173	51	0	0	0	0	111.2	E782 D783 V786 T788	T780-E782 PolarHBondContact O-N 2.89Å; T780-D783 CarbonylContact O-C 3.27Å; T780-D783 PolarHBondContact OG1-O 3.39Å; T780-V786 HydrophobicContact CG2-CB 4.38Å; T780-V786 HydrophobicContact CG2-CG1 4.04Å; T780-V786 PolarHBondContact N-O 3.25Å; T780-V786 WeakPolarHBondContact OG1-CB 3.41Å; T780-V786 PolarHBondContact OG1-O 3.32Å; T780-T788 HydrophobicContact CG2-CG2 3.55Å
781	P	83.6	Confident	91	Very high	122 Å²	122	81.5 Å²	81.5	79%	0.792	40%	0.401	S	S	*	.	S	Bend	trans	-66.2	-26.4	178.6	20.5	-25.2	0	0	0	112.8
782	E	85.9	Confident	90.8	Very high	154 Å²	154	85.4 Å²	85.4	72%	0.72	42%	0.421	S	S	*	.	S	Bend	trans	-81.7	-37.5	-179.5	-52.9	77.9	-165.8	0	0	113.2	T780	T780-E782 PolarHBondContact O-N 2.89Å
783	D	89.1	Confident	90.6	Very high	63 Å²	63	87.4 Å²	87.4	34%	0.337	43%	0.43	S	S	.	.			trans	-140.6	119.3	179.7	-173.9	-0.6	0	0	0	112	T780 K785 V786	T780-D783 CarbonylContact O-C 3.27Å; T780-D783 PolarHBondContact OG1-O 3.39Å; D783-K785 PolarHBondContact O-N 3.09Å; D783-K785 WeakPolarHBondContact OD1-CB 3.31Å; D783-K785 PolarHBondContact OD1-N 3.36Å; D783-V786 HydrophobicContact CB-CB 4.5Å; D783-V786 HydrophobicContact CB-CG2 4.14Å; D783-V786 PolarHBondContact O-N 3.1Å; D783-V786 VanDerWaalsContact O-N 3.15Å
784	R	85.9	Confident	90.4	Very high	200 Å²	200	83.1 Å²	83.1	76%	0.755	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.4	177.1	-68.9	-175.3	174.2	-171.5	-1.1	113.7	V786	R784-V786 VanDerWaalsContact C-N 3.31Å
785	K	90.2	Very high	90.2	Very high	136 Å²	136	81.1 Å²	81.1	59%	0.591	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-2	175.4	-61.2	178.5	-179.7	175	0	112.8	Q741 H742 D783	Q741-K785 CarbonylContact C-O 3.49Å; Q741-K785 WeakPolarHBondContact CA-O 3.42Å; H742-K785 PolarHBondContact N-O 3.13Å; D783-K785 PolarHBondContact O-N 3.09Å; D783-K785 WeakPolarHBondContact OD1-CB 3.31Å; D783-K785 PolarHBondContact OD1-N 3.36Å
786	V	92.5	Very high	90	Very high	22 Å²	22	76.2 Å²	76.2	13%	0.133	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.6	178.4	-179.2	0	0	0	0	109.9	K739 Q741 T780 D783 R784	K739-V786 HydrophobicContact CD-CG1 4.17Å; K739-V786 VanDerWaalsContact CE-CG1 3.43Å; K739-V786 HydrophobicContact CG-CG1 3.63Å; Q741-V786 HydrophobicContact CG-CG2 4.44Å; T780-V786 HydrophobicContact CG2-CB 4.38Å; T780-V786 HydrophobicContact CG2-CG1 4.04Å; T780-V786 PolarHBondContact N-O 3.25Å; T780-V786 WeakPolarHBondContact OG1-CB 3.41Å; T780-V786 PolarHBondContact OG1-O 3.32Å; D783-V786 HydrophobicContact CB-CB 4.5Å; D783-V786 HydrophobicContact CB-CG2 4.14Å; D783-V786 PolarHBondContact O-N 3.1Å; D783-V786 VanDerWaalsContact O-N 3.15Å; R784-V786 VanDerWaalsContact C-N 3.31Å
787	Y	94.5	Very high	90	Very high	12 Å²	12	74.7 Å²	74.7	5%	0.047	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	145.9	179.1	-55.6	-66.4	0	0	0	110.6	M734 K739 M740 H742 L745 I768 I772 A778 R779	M734-Y787 WeakPolarHBondContact CE-O 3.48Å; K739-Y787 CarbonylContact C-O 3.55Å; K739-Y787 VanDerWaalsContact CA-O 3.29Å; K739-Y787 WeakPolarHBondContact CA-O 3.36Å; M740-Y787 PolarHBondContact N-O 3.08Å; M740-Y787 PolarHBondContact O-N 3.38Å; H742-Y787 HydrophobicContact CB-CD2 4.5Å; H742-Y787 HydrophobicContact CB-CE2 3.61Å; H742-Y787 AromaticContact CG-CE2 3.94Å; H742-Y787 AromaticContact ND1-CE2 3.51Å; H742-Y787 AromaticContact ND1-CZ 3.86Å; H742-Y787 PolarHBondContact ND1-OH 3.4Å; L745-Y787 HydrophobicContact CD2-CD2 3.9Å; L745-Y787 HydrophobicContact CD2-CE2 4.43Å; I768-Y787 HydrophobicContact CD1-CE2 4.28Å; I768-Y787 HydrophobicContact CG2-CD1 4.24Å; I768-Y787 HydrophobicContact CG2-CE1 3.84Å; I768-Y787 HydrophobicContact CG2-CE2 4.17Å; I772-Y787 HydrophobicContact CD1-CD1 4.23Å; I772-Y787 HydrophobicContact CD1-CE1 3.98Å; A778-Y787 CarbonylContact O-C 3.56Å; A778-Y787 VanDerWaalsContact O-CA 3.28Å; A778-Y787 WeakPolarHBondContact O-CA 3.37Å; R779-Y787 HydrophobicContact CG-CD1 3.98Å; R779-Y787 HydrophobicContact CG-CE1 3.87Å
788	T	93.3	Very high	89.7	Confident	39 Å²	39	79.8 Å²	79.8	24%	0.239	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.3	172.1	45.7	0	0	0	0	110	K738 K739 L777 A778 T780	K738-T788 CarbonylContact O-C 3.49Å; K738-T788 WeakPolarHBondContact O-CA 3.47Å; K739-T788 HydrophobicContact CB-CG2 4.3Å; K739-T788 HydrophobicContact CD-CG2 4.28Å; K739-T788 HydrophobicContact CG-CG2 4.03Å; L777-T788 CarbonylContact C-O 3.54Å; L777-T788 WeakPolarHBondContact CA-O 3.49Å; A778-T788 PolarHBondContact N-O 3.23Å; A778-T788 PolarHBondContact O-N 2.94Å; A778-T788 PolarHBondContact O-OG1 3.08Å; T780-T788 HydrophobicContact CG2-CG2 3.55Å
789	Y	94.1	Very high	89.5	Confident	35 Å²	35	83.5 Å²	83.5	14%	0.137	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	129.7	174.9	-177.7	-104.2	0	0	0	110.3	V731 M734 K735 K738 Y776 L777 A791	V731-Y789 HydrophobicContact CG1-CE2 4.27Å; M734-Y789 HydrophobicContact CB-CD2 3.96Å; M734-Y789 HydrophobicContact CB-CG 4.41Å; M734-Y789 WeakPolarHBondContact O-CB 3.39Å; K735-Y789 HydrophobicContact CB-CD1 4.41Å; K735-Y789 HydrophobicContact CB-CD2 4.45Å; K735-Y789 HydrophobicContact CB-CE1 3.98Å; K735-Y789 HydrophobicContact CB-CE2 4.07Å; K735-Y789 HydrophobicContact CG-CE1 3.9Å; K738-Y789 HydrophobicContact CD-CD1 4.3Å; K738-Y789 PolarHBondContact O-N 2.83Å; Y776-Y789 WeakPolarHBondContact O-CD2 3.43Å; L777-Y789 HydrophobicContact CD2-CD2 4.04Å; Y789-A791 WeakPolarHBondContact CE1-O 3.3Å; Y789-A791 HydrophobicContact CE2-CB 4.34Å; Y789-A791 VanDerWaalsContact CZ-O 3.24Å; Y789-A791 PolarHBondContact OH-O 2.92Å; Y789-A791 VanDerWaalsContact OH-O 3.13Å
790	V	90.4	Very high	89.2	Confident	88 Å²	88	81.4 Å²	81.4	53%	0.533	43%	0.428	S	S	.	.			trans	-118.4	-11.8	-168.8	-120.8	0	0	0	0	114.6	Y776 A778	Y776-V790 PolarHBondContact O-N 2.98Å; Y776-V790 VanDerWaalsContact O-N 3.15Å; A778-V790 HydrophobicContact CB-CG1 4.48Å; A778-V790 HydrophobicContact CB-CG2 3.68Å; A778-V790 VanDerWaalsContact N-CG2 3.34Å
791	A	80.4	Confident	89.1	Confident	96 Å²	96	87.9 Å²	87.9	79%	0.793	46%	0.462	S	S	*	.			trans	-95.9	0	-173.7	0	0	0	0	0	115.8	Y776 Y789	Y776-A791 HydrophobicContact CD1-CB 3.95Å; Y776-A791 HydrophobicContact CE1-CB 4.42Å; Y776-A791 HydrophobicContact CG-CB 4.47Å; Y789-A791 WeakPolarHBondContact CE1-O 3.3Å; Y789-A791 HydrophobicContact CE2-CB 4.34Å; Y789-A791 VanDerWaalsContact CZ-O 3.24Å; Y789-A791 PolarHBondContact OH-O 2.92Å; Y789-A791 VanDerWaalsContact OH-O 3.13Å

Retrieved 791 of 791 residues in 573.7 ms (Link to these results)

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