A0A077ZCC3_TRITR Loading...

SLT L and SLT domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCC3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 654 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	51	Low	54.1	Low	221 Å²	221	136.7 Å²	136.7	100%	1.089	68%	0.684	S	S	*	*				0	11.5	0	-145.3	168.7	78.7	0	0	113.8
2	Y	48.4	Very low	54.5	Low	209 Å²	209	137.8 Å²	137.8	82%	0.82	68%	0.681	S	S	*	*			trans	-111.7	-5.7	-179.6	-100.8	-89.6	0	0	0	114.5
3	L	50.5	Low	54.8	Low	144 Å²	144	131.6 Å²	131.6	75%	0.754	67%	0.665	S	S	*	*	S	Bend	trans	-100.8	6.3	-178.1	-91	149.8	0	0	0	114.4
4	H	52.2	Low	55.1	Low	169 Å²	169	131.9 Å²	131.9	78%	0.782	66%	0.66	S	S	*	*	S	Bend	trans	-116.5	2.4	175.5	-88.8	4	0	0	0	113.7
5	L	50.8	Low	55.3	Low	114 Å²	114	131.2 Å²	131.2	60%	0.597	65%	0.654	S	S	*	*	S	Bend	trans	-96.4	-22.5	176.3	-96.5	143.2	0	0	0	113
6	E	54	Low	55.7	Low	136 Å²	136	128.4 Å²	128.4	64%	0.636	65%	0.645	S	S	*	*	H	α-helix	trans	-74.1	-40.4	177.9	-78.7	-175.9	148.4	0	0	112.8	A8 L9 V10	E6-A8 PolarHBondContact O-N 3.07Å; E6-L9 PolarHBondContact O-N 3.41Å; E6-V10 WeakPolarHBondContact O-CG2 3.39Å; E6-V10 PolarHBondContact O-N 3.44Å; E6-V10 VanDerWaalsContact O-N 3.15Å
7	D	53.5	Low	55.9	Low	115 Å²	115	125.3 Å²	125.3	62%	0.615	64%	0.635	S	S	*	*	H	α-helix	trans	-66.1	-36.9	-179.3	-75.5	-30	0	0	0	112.7	L9 V10 E11	D7-L9 VanDerWaalsContact C-N 3.31Å; D7-L9 PolarHBondContact O-N 3.15Å; D7-V10 PolarHBondContact O-N 3.24Å; D7-E11 PolarHBondContact O-N 3.4Å
8	A	57.2	Low	55.8	Low	57 Å²	57	129.6 Å²	129.6	47%	0.471	64%	0.642	S	S	.	*	H	α-helix	trans	-70.2	-26.2	178.3	0	0	0	0	0	113.4	E6 K12	E6-A8 PolarHBondContact O-N 3.07Å; A8-K12 PolarHBondContact O-N 3.43Å
9	L	56.6	Low	55.8	Low	119 Å²	119	133.1 Å²	133.1	62%	0.623	65%	0.647	S	S	*	*	H	α-helix	trans	-81	-35.7	176.8	-84.4	162.5	0	0	0	112	E6 D7 E11 A13	E6-L9 PolarHBondContact O-N 3.41Å; D7-L9 VanDerWaalsContact C-N 3.31Å; D7-L9 PolarHBondContact O-N 3.15Å; L9-E11 VanDerWaalsContact C-N 3.35Å; L9-A13 WeakPolarHBondContact O-CB 3.46Å; L9-A13 PolarHBondContact O-N 2.98Å
10	V	62.4	Low	55.8	Low	80 Å²	80	132.4 Å²	132.4	49%	0.485	65%	0.646	S	S	.	*	H	α-helix	trans	-67.3	-36.6	175.5	175.1	0	0	0	0	111.3	E6 D7 A13 K14	E6-V10 WeakPolarHBondContact O-CG2 3.39Å; E6-V10 PolarHBondContact O-N 3.44Å; E6-V10 VanDerWaalsContact O-N 3.15Å; D7-V10 PolarHBondContact O-N 3.24Å; V10-A13 PolarHBondContact O-N 3.4Å; V10-K14 PolarHBondContact O-N 3.36Å; V10-K14 VanDerWaalsContact O-N 3.07Å
11	E	58.9	Low	55.7	Low	140 Å²	140	131.7 Å²	131.7	65%	0.654	65%	0.645	S	S	*	*	H	α-helix	trans	-72.5	-36.9	-180	-149.1	170.4	-158.5	0	0	112.6	D7 L9 K14 Q15	D7-E11 PolarHBondContact O-N 3.4Å; L9-E11 VanDerWaalsContact C-N 3.35Å; E11-K14 PolarHBondContact O-N 3.12Å; E11-Q15 PolarHBondContact O-N 2.71Å; E11-Q15 VanDerWaalsContact O-N 3.07Å
12	K	58.6	Low	55.7	Low	150 Å²	150	123.8 Å²	123.8	65%	0.652	61%	0.614	S	S	*	*	H	α-helix	trans	-66.9	-37.4	171	-86.9	-177.2	175.5	177.8	0	112.7	A8 K14 Q15 V16	A8-K12 PolarHBondContact O-N 3.43Å; K12-K14 VanDerWaalsContact C-N 3.34Å; K12-K14 PolarHBondContact O-N 3.4Å; K12-Q15 PolarHBondContact O-N 3.09Å; K12-V16 WeakPolarHBondContact O-CG2 3.45Å; K12-V16 PolarHBondContact O-N 3.04Å
13	A	59.2	Low	55.8	Low	57 Å²	57	116.4 Å²	116.4	47%	0.471	60%	0.597	S	S	.	*	H	α-helix	trans	-66	-35.6	176.1	0	0	0	0	0	112.4	L9 V10 T17	L9-A13 WeakPolarHBondContact O-CB 3.46Å; L9-A13 PolarHBondContact O-N 2.98Å; V10-A13 PolarHBondContact O-N 3.4Å; A13-T17 PolarHBondContact O-N 3.07Å; A13-T17 VanDerWaalsContact O-N 3.09Å; A13-T17 PolarHBondContact O-OG1 3.5Å
14	K	58.5	Low	55.5	Low	135 Å²	135	111.3 Å²	111.3	59%	0.587	58%	0.579	S	S	*	*	H	α-helix	trans	-68.9	-37.5	172.9	-76.5	-178.6	-179.2	176.2	0	112.8	V10 E11 K12 T17 W18	V10-K14 PolarHBondContact O-N 3.36Å; V10-K14 VanDerWaalsContact O-N 3.07Å; E11-K14 PolarHBondContact O-N 3.12Å; K12-K14 VanDerWaalsContact C-N 3.34Å; K12-K14 PolarHBondContact O-N 3.4Å; K14-T17 WeakPolarHBondContact CA-OG1 3.48Å; K14-T17 PolarHBondContact O-OG1 3.07Å; K14-T17 VanDerWaalsContact O-OG1 3.12Å; K14-W18 WeakPolarHBondContact O-CB 3.35Å; K14-W18 PolarHBondContact O-N 3.41Å
15	Q	57.4	Low	55.2	Low	122 Å²	122	107.7 Å²	107.7	57%	0.57	57%	0.569	S	S	*	*	H	α-helix	trans	-69.5	-36.1	176	-81.6	-173.3	-11.7	0	0	113.1	E11 K12 R19	E11-Q15 PolarHBondContact O-N 2.71Å; E11-Q15 VanDerWaalsContact O-N 3.07Å; K12-Q15 PolarHBondContact O-N 3.09Å; Q15-R19 WeakPolarHBondContact O-CG 3.32Å; Q15-R19 PolarHBondContact O-N 3.17Å
16	V	61.7	Low	54.7	Low	86 Å²	86	107.1 Å²	107.1	52%	0.521	57%	0.573	S	S	.	*	H	α-helix	trans	-72.7	-37.6	177.3	175.2	0	0	0	0	111.6	K12 R19 L20	K12-V16 WeakPolarHBondContact O-CG2 3.45Å; K12-V16 PolarHBondContact O-N 3.04Å; V16-R19 PolarHBondContact O-N 3.32Å; V16-L20 HydrophobicContact CG1-CD1 3.96Å; V16-L20 WeakPolarHBondContact O-CG 3.42Å; V16-L20 PolarHBondContact O-N 2.93Å
17	T	58.9	Low	54	Low	76 Å²	76	107.7 Å²	107.7	47%	0.466	58%	0.58	S	S	.	*	H	α-helix	trans	-68.9	-36.7	174.6	41	0	0	0	0	112.6	A13 K14 L20 L21	A13-T17 PolarHBondContact O-N 3.07Å; A13-T17 VanDerWaalsContact O-N 3.09Å; A13-T17 PolarHBondContact O-OG1 3.5Å; K14-T17 WeakPolarHBondContact CA-OG1 3.48Å; K14-T17 PolarHBondContact O-OG1 3.07Å; K14-T17 VanDerWaalsContact O-OG1 3.12Å; T17-L20 PolarHBondContact O-N 3.36Å; T17-L21 WeakPolarHBondContact O-CB 3.22Å; T17-L21 PolarHBondContact O-N 2.97Å
18	W	55.7	Low	53.4	Low	203 Å²	203	109.1 Å²	109.1	77%	0.769	59%	0.587	S	S	*	*	H	α-helix	trans	-67.1	-35	171.6	-93.1	79.7	0	0	0	113.3	K14 A22	K14-W18 WeakPolarHBondContact O-CB 3.35Å; K14-W18 PolarHBondContact O-N 3.41Å; W18-A22 VanDerWaalsContact O-CB 3.22Å; W18-A22 WeakPolarHBondContact O-CB 3.38Å; W18-A22 PolarHBondContact O-N 3.45Å
19	R	55.5	Low	52.7	Low	195 Å²	195	111.4 Å²	111.4	74%	0.736	60%	0.595	S	S	*	*	H	α-helix	trans	-71.7	-32.4	174.6	-75	-176.2	179.3	-163	0.8	112.9	Q15 V16 A23	Q15-R19 WeakPolarHBondContact O-CG 3.32Å; Q15-R19 PolarHBondContact O-N 3.17Å; V16-R19 PolarHBondContact O-N 3.32Å; R19-A23 WeakPolarHBondContact O-CB 3.45Å; R19-A23 PolarHBondContact O-N 2.88Å
20	L	55.2	Low	52.2	Low	119 Å²	119	111.8 Å²	111.8	62%	0.623	60%	0.602	S	S	*	*	H	α-helix	trans	-77	-32.3	174.4	-74.7	165	0	0	0	112.7	V16 T17 G24	V16-L20 HydrophobicContact CG1-CD1 3.96Å; V16-L20 WeakPolarHBondContact O-CG 3.42Å; V16-L20 PolarHBondContact O-N 2.93Å; T17-L20 PolarHBondContact O-N 3.36Å; L20-G24 PolarHBondContact O-N 3.06Å
21	L	54.1	Low	51.2	Low	119 Å²	119	112.9 Å²	112.9	62%	0.623	61%	0.613	S	S	*	*	H	α-helix	trans	-72.2	-35.7	169.9	-99.7	137.7	0	0	0	112.5	T17 G24 V25	T17-L21 WeakPolarHBondContact O-CB 3.22Å; T17-L21 PolarHBondContact O-N 2.97Å; L21-G24 PolarHBondContact O-N 3.02Å; L21-V25 WeakPolarHBondContact O-CB 3.37Å; L21-V25 VanDerWaalsContact O-CG2 3.29Å; L21-V25 WeakPolarHBondContact O-CG2 3.29Å; L21-V25 PolarHBondContact O-N 2.93Å
22	A	51.3	Low	50.3	Low	54 Å²	54	110.6 Å²	110.6	45%	0.446	61%	0.612	S	S	.	*	H	α-helix	trans	-69.3	-33.1	172.1	0	0	0	0	0	112.4	W18 C26	W18-A22 VanDerWaalsContact O-CB 3.22Å; W18-A22 WeakPolarHBondContact O-CB 3.38Å; W18-A22 PolarHBondContact O-N 3.45Å; A22-C26 WeakPolarHBondContact O-CB 3.37Å; A22-C26 PolarHBondContact O-N 3.13Å; A22-C26 VanDerWaalsContact O-N 3.13Å; A22-C26 PolarHBondContact O-SG 2.91Å
23	A	49.5	Very low	49.6	Very low	54 Å²	54	108.7 Å²	108.7	45%	0.446	61%	0.613	S	S	.	*	H	α-helix	trans	-73.3	-31.8	171.8	0	0	0	0	0	112.7	R19	R19-A23 WeakPolarHBondContact O-CB 3.45Å; R19-A23 PolarHBondContact O-N 2.88Å
24	G	44.2	Very low	49	Very low	38 Å²	38	110.5 Å²	110.5	39%	0.392	63%	0.628	S	S	.	*	H	α-helix	trans	-76.8	-27.2	175	0	0	0	0	0	114.6	L20 L21	L20-G24 PolarHBondContact O-N 3.06Å; L21-G24 PolarHBondContact O-N 3.02Å
25	V	45.2	Very low	48.8	Very low	93 Å²	93	114.4 Å²	114.4	56%	0.564	64%	0.639	S	S	*	*	H	α-helix	trans	-91.1	-17.8	177.7	175.2	0	0	0	0	112.5	L21 L27	L21-V25 WeakPolarHBondContact O-CB 3.37Å; L21-V25 VanDerWaalsContact O-CG2 3.29Å; L21-V25 WeakPolarHBondContact O-CG2 3.29Å; L21-V25 PolarHBondContact O-N 2.93Å; V25-L27 VanDerWaalsContact C-N 3.33Å
26	C	40.5	Very low	49.2	Very low	102 Å²	102	112.6 Å²	112.6	69%	0.689	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-0.1	166.5	-74.9	0	0	0	0	114.4	A22	A22-C26 WeakPolarHBondContact O-CB 3.37Å; A22-C26 PolarHBondContact O-N 3.13Å; A22-C26 VanDerWaalsContact O-N 3.13Å; A22-C26 PolarHBondContact O-SG 2.91Å
27	L	41.2	Very low	49.8	Very low	148 Å²	148	111.6 Å²	111.6	78%	0.775	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	7.8	172.6	-92.2	158.1	0	0	0	113.3	V25	V25-L27 VanDerWaalsContact C-N 3.33Å
28	L	40.2	Very low	51.3	Low	144 Å²	144	110.5 Å²	110.5	75%	0.754	63%	0.632	S	S	*	*	S	Bend	trans	-121.8	11.5	-179	-85.6	165.2	0	0	0	114.5
29	T	41.5	Very low	53.1	Low	106 Å²	106	103.3 Å²	103.3	65%	0.65	61%	0.609	S	S	*	*	S	Bend	trans	-134.9	127.8	173.6	51	0	0	0	0	110.5
30	V	46.1	Very low	54.9	Low	126 Å²	126	98.5 Å²	98.5	76%	0.764	60%	0.598	S	S	*	*			trans	78.3	47.9	-176.1	-151.2	0	0	0	0	115.2	S32	V30-S32 WeakPolarHBondContact CG1-OG 3.38Å; V30-S32 PolarHBondContact O-N 2.84Å
31	S	41.6	Very low	56.8	Low	104 Å²	104	97.3 Å²	97.3	73%	0.727	59%	0.589	S	S	*	*			trans	-69.6	75.7	132.3	-37.2	0	0	0	0	107.1	V33	S31-V33 PolarHBondContact O-N 3.12Å
32	S	40.6	Very low	58.9	Low	91 Å²	91	92.4 Å²	92.4	64%	0.636	56%	0.563	S	S	*	*			trans	-64.4	82.6	155.2	40	0	0	0	0	105.5	V30 A34	V30-S32 WeakPolarHBondContact CG1-OG 3.38Å; V30-S32 PolarHBondContact O-N 2.84Å; S32-A34 PolarHBondContact O-N 2.76Å
33	V	42.8	Very low	61.1	Low	111 Å²	111	91.2 Å²	91.2	67%	0.673	55%	0.547	S	S	*	.			trans	-50.7	105.5	152.8	-171.5	0	0	0	0	102.4	S31 R35	S31-V33 PolarHBondContact O-N 3.12Å; V33-R35 HydrophobicContact CG1-CG 4.4Å; V33-R35 PolarHBondContact O-N 2.84Å
34	A	46.6	Very low	63.4	Low	95 Å²	95	91.5 Å²	91.5	79%	0.785	55%	0.545	S	S	*	.			trans	-61.2	83.6	170.8	0	0	0	0	0	104.9	S32 A36	S32-A34 PolarHBondContact O-N 2.76Å; A34-A36 PolarHBondContact O-N 3.4Å
35	R	54.4	Low	65.9	Low	217 Å²	217	91.9 Å²	91.9	82%	0.819	54%	0.535	S	S	*	.			trans	-64.1	111	171.7	-80.5	-168.6	161.5	148.4	-1.3	103.2	V33 D37	V33-R35 HydrophobicContact CG1-CG 4.4Å; V33-R35 PolarHBondContact O-N 2.84Å; R35-D37 PolarHBondContact O-N 3.16Å; R35-D37 VanDerWaalsContact O-N 3.08Å
36	A	65.6	Low	68.5	Low	83 Å²	83	88 Å²	88	69%	0.686	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-47.5	122.3	166.3	0	0	0	0	0	106.1	A34 S38	A34-A36 PolarHBondContact O-N 3.4Å; A36-S38 PolarHBondContact O-N 3.44Å
37	D	75.5	Confident	71.2	Confident	65 Å²	65	85 Å²	85	35%	0.348	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-51.1	137.6	-176	-72.1	-79.4	0	0	0	109.7	R35 E41 Q42 R45	R35-D37 PolarHBondContact O-N 3.16Å; R35-D37 VanDerWaalsContact O-N 3.08Å; D37-E41 HydrophobicContact CB-CB 4.24Å; D37-Q42 HydrophobicContact CB-CG 3.84Å; D37-Q42 PolarHBondContact O-NE2 3.39Å; D37-R45 VanDerWaalsContact CB-NH2 3.3Å; D37-R45 VanDerWaalsContact CG-CZ 3.42Å; D37-R45 IonicContact OD1-CZ 2.84Å; D37-R45 IonicContact OD1-NH1 3.66Å; D37-R45 PolarHBondContact OD1-NH1 3.43Å; D37-R45 IonicContact OD1-NH2 3.16Å; D37-R45 IonicContact OD2-CZ 2.7Å; D37-R45 IonicContact OD2-NH1 3.63Å; D37-R45 PolarHBondContact OD2-NH1 2.76Å; D37-R45 IonicContact OD2-NH2 3.64Å; D37-R45 PolarHBondContact OD2-NH2 3.12Å
38	S	90.8	Very high	73.9	Confident	53 Å²	53	82.8 Å²	82.8	37%	0.371	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-59.2	152.9	172.8	64.9	0	0	0	0	110.1	A36 D40 E41 Q42	A36-S38 PolarHBondContact O-N 3.44Å; S38-D40 PolarHBondContact O-N 2.72Å; S38-D40 VanDerWaalsContact O-N 3.09Å; S38-E41 PolarHBondContact N-OE2 3.38Å; S38-E41 PolarHBondContact O-N 3.44Å; S38-E41 VanDerWaalsContact O-N 3.11Å; S38-E41 VanDerWaalsContact OG-CD 3.22Å; S38-E41 VanDerWaalsContact OG-CG 3.28Å; S38-E41 WeakPolarHBondContact OG-CG 3.39Å; S38-E41 PolarHBondContact OG-N 3.02Å; S38-E41 PolarHBondContact OG-OE2 3.33Å; S38-Q42 WeakPolarHBondContact O-CG 3.2Å; S38-Q42 PolarHBondContact O-N 2.85Å
39	L	93.8	Very high	76.7	Confident	52 Å²	52	76 Å²	76	27%	0.272	44%	0.443	S	S	.	.	H	α-helix	trans	-55.2	-30.9	175.9	-177.3	63.6	0	0	0	112	R43 Y71	L39-R43 VanDerWaalsContact O-CG 3.29Å; L39-R43 WeakPolarHBondContact O-CG 3.47Å; L39-R43 PolarHBondContact O-N 3.43Å; L39-Y71 HydrophobicContact CD1-CD2 3.93Å; L39-Y71 HydrophobicContact CD1-CE2 3.76Å
40	D	93.5	Very high	79.3	Confident	95 Å²	95	73.7 Å²	73.7	51%	0.508	42%	0.424	S	S	.	.	H	α-helix	trans	-69.7	-44.2	177.8	-164.9	-101.6	0	0	0	112.9	S38 Q42 R43 S44	S38-D40 PolarHBondContact O-N 2.72Å; S38-D40 VanDerWaalsContact O-N 3.09Å; D40-Q42 VanDerWaalsContact C-N 3.32Å; D40-Q42 PolarHBondContact O-N 3.47Å; D40-R43 WeakPolarHBondContact O-CB 3.23Å; D40-R43 PolarHBondContact O-N 3.48Å; D40-S44 PolarHBondContact O-N 3.46Å; D40-S44 VanDerWaalsContact O-N 3.12Å; D40-S44 PolarHBondContact O-OG 3.3Å
41	E	95	Very high	81.8	Confident	94 Å²	94	73.8 Å²	73.8	44%	0.439	42%	0.416	S	S	.	.	H	α-helix	trans	-62.4	-41.2	172.9	-72.5	159.6	159.9	0	0	111	D37 S38 R43 S44 R45	D37-E41 HydrophobicContact CB-CB 4.24Å; S38-E41 PolarHBondContact N-OE2 3.38Å; S38-E41 PolarHBondContact O-N 3.44Å; S38-E41 VanDerWaalsContact O-N 3.11Å; S38-E41 VanDerWaalsContact OG-CD 3.22Å; S38-E41 VanDerWaalsContact OG-CG 3.28Å; S38-E41 WeakPolarHBondContact OG-CG 3.39Å; S38-E41 PolarHBondContact OG-N 3.02Å; S38-E41 PolarHBondContact OG-OE2 3.33Å; E41-R43 PolarHBondContact O-N 3.43Å; E41-S44 PolarHBondContact O-N 3.38Å; E41-R45 PolarHBondContact O-N 3.43Å
42	Q	97.5	Very high	84.5	Confident	15 Å²	15	69 Å²	69	7%	0.07	38%	0.383	C	S	.	.	H	α-helix	trans	-63	-38.9	175.9	-67.4	175.8	-2.1	0	0	112.2	D37 S38 D40 R45 Y46 L68 Y71	D37-Q42 HydrophobicContact CB-CG 3.84Å; D37-Q42 PolarHBondContact O-NE2 3.39Å; S38-Q42 WeakPolarHBondContact O-CG 3.2Å; S38-Q42 PolarHBondContact O-N 2.85Å; D40-Q42 VanDerWaalsContact C-N 3.32Å; D40-Q42 PolarHBondContact O-N 3.47Å; Q42-R45 PolarHBondContact O-N 2.83Å; Q42-Y46 VanDerWaalsContact O-CB 3.31Å; Q42-Y46 WeakPolarHBondContact O-CB 3.23Å; Q42-Y46 PolarHBondContact O-N 3.33Å; Q42-L68 HydrophobicContact CB-CD2 4.32Å; Q42-Y71 HydrophobicContact CB-CD2 3.55Å; Q42-Y71 HydrophobicContact CB-CE2 4.21Å; Q42-Y71 HydrophobicContact CB-CG 4.14Å; Q42-Y71 HydrophobicContact CG-CD2 4.5Å
43	R	98	Very high	87.2	Confident	30 Å²	30	64.9 Å²	64.9	11%	0.113	35%	0.353	C	S	.	.	H	α-helix	trans	-60.4	-46.3	174	-78.5	164.7	175.2	-176.9	-2.2	111.7	L39 D40 E41 R45 Y46 A47 Y71 E426 Y429 W430	L39-R43 VanDerWaalsContact O-CG 3.29Å; L39-R43 WeakPolarHBondContact O-CG 3.47Å; L39-R43 PolarHBondContact O-N 3.43Å; D40-R43 WeakPolarHBondContact O-CB 3.23Å; D40-R43 PolarHBondContact O-N 3.48Å; E41-R43 PolarHBondContact O-N 3.43Å; R43-R45 PolarHBondContact O-N 2.98Å; R43-Y46 PolarHBondContact O-N 3.46Å; R43-A47 PolarHBondContact O-N 2.91Å; R43-A47 VanDerWaalsContact O-N 3.07Å; R43-Y71 HydrophobicContact CG-CE2 4.04Å; R43-E426 VanDerWaalsContact CG-OE2 3.32Å; R43-E426 WeakPolarHBondContact CG-OE2 3.49Å; R43-E426 IonicContact CZ-OE1 3.27Å; R43-E426 IonicContact CZ-OE2 2.68Å; R43-E426 IonicContact NE-OE1 2.83Å; R43-E426 PolarHBondContact NE-OE1 3.12Å; R43-E426 IonicContact NE-OE2 3.13Å; R43-E426 PolarHBondContact NE-OE2 2.91Å; R43-E426 IonicContact NH2-OE1 3.22Å; R43-E426 PolarHBondContact NH2-OE1 3.11Å; R43-E426 IonicContact NH2-OE2 3.37Å; R43-Y429 HydrophobicContact CB-CE1 4.36Å; R43-Y429 HydrophobicContact CG-CD1 4.32Å; R43-Y429 HydrophobicContact CG-CE1 4.08Å; R43-W430 HydrophobicContact CB-CH2 4.44Å; R43-W430 HydrophobicContact CB-CZ2 3.83Å; R43-W430 HydrophobicContact CG-CZ2 4.19Å; R43-W430 VanDerWaalsContact O-CZ2 3.26Å; R43-W430 WeakPolarHBondContact O-CZ2 3.28Å
44	S	97.3	Very high	89.8	Confident	60 Å²	60	64.4 Å²	64.4	42%	0.42	35%	0.347	S	S	.	.	H	α-helix	trans	-59.6	-47.2	178	-67.1	0	0	0	0	111.4	D40 E41 Y46 A47 Q48	D40-S44 PolarHBondContact O-N 3.46Å; D40-S44 VanDerWaalsContact O-N 3.12Å; D40-S44 PolarHBondContact O-OG 3.3Å; E41-S44 PolarHBondContact O-N 3.38Å; S44-Y46 PolarHBondContact O-N 3.49Å; S44-A47 PolarHBondContact O-N 3.46Å; S44-Q48 VanDerWaalsContact O-CG 3.29Å; S44-Q48 WeakPolarHBondContact O-CG 3.45Å; S44-Q48 PolarHBondContact O-N 3.41Å; S44-Q48 VanDerWaalsContact O-N 3.12Å
45	R	97.3	Very high	92.2	Very high	46 Å²	46	64.7 Å²	64.7	17%	0.174	34%	0.335	C	S	.	.	H	α-helix	trans	-65.3	-36.6	176.1	-69.8	-164.3	-53.5	-93.8	8.8	113.2	D37 E41 Q42 R43 A47 Q48 I49 M64 G67 L68	D37-R45 VanDerWaalsContact CB-NH2 3.3Å; D37-R45 VanDerWaalsContact CG-CZ 3.42Å; D37-R45 IonicContact OD1-CZ 2.84Å; D37-R45 IonicContact OD1-NH1 3.66Å; D37-R45 PolarHBondContact OD1-NH1 3.43Å; D37-R45 IonicContact OD1-NH2 3.16Å; D37-R45 IonicContact OD2-CZ 2.7Å; D37-R45 IonicContact OD2-NH1 3.63Å; D37-R45 PolarHBondContact OD2-NH1 2.76Å; D37-R45 IonicContact OD2-NH2 3.64Å; D37-R45 PolarHBondContact OD2-NH2 3.12Å; E41-R45 PolarHBondContact O-N 3.43Å; Q42-R45 PolarHBondContact O-N 2.83Å; R43-R45 PolarHBondContact O-N 2.98Å; R45-A47 VanDerWaalsContact C-N 3.34Å; R45-A47 PolarHBondContact O-N 2.72Å; R45-Q48 PolarHBondContact O-N 3.44Å; R45-I49 WeakPolarHBondContact O-CG2 3.29Å; R45-I49 PolarHBondContact O-N 3.35Å; R45-M64 HydrophobicContact CB-CE 3.89Å; R45-M64 HydrophobicContact CG-CE 4.18Å; R45-M64 WeakPolarHBondContact O-CE 3.43Å; R45-G67 PolarHBondContact NH2-O 3.38Å; R45-L68 HydrophobicContact CB-CD2 4.03Å; R45-L68 HydrophobicContact CB-CG 4.5Å
46	Y	98.2	Very high	94.2	Very high	12 Å²	12	61.4 Å²	61.4	5%	0.047	32%	0.323	C	S	.	.	H	α-helix	trans	-61.8	-41	177	-176.3	-105.1	0	0	0	112.2	Q42 R43 S44 I49 K50 Y71 L73 L77 W430	Q42-Y46 VanDerWaalsContact O-CB 3.31Å; Q42-Y46 WeakPolarHBondContact O-CB 3.23Å; Q42-Y46 PolarHBondContact O-N 3.33Å; R43-Y46 PolarHBondContact O-N 3.46Å; S44-Y46 PolarHBondContact O-N 3.49Å; Y46-I49 VanDerWaalsContact O-CG2 3.23Å; Y46-I49 WeakPolarHBondContact O-CG2 3.37Å; Y46-K50 HydrophobicContact CD1-CD 3.97Å; Y46-K50 HydrophobicContact CE1-CD 3.46Å; Y46-K50 VanDerWaalsContact CE1-CD 3.46Å; Y46-K50 HydrophobicContact CE1-CG 4.48Å; Y46-K50 HydrophobicContact CE2-CD 4.44Å; Y46-K50 WeakPolarHBondContact O-CG 3.31Å; Y46-K50 PolarHBondContact O-N 3.11Å; Y46-Y71 AromaticContact CD1-CE1 3.8Å; Y46-Y71 HydrophobicContact CD1-CE1 3.8Å; Y46-Y71 AromaticContact CD2-CD1 3.59Å; Y46-Y71 HydrophobicContact CD2-CD1 3.59Å; Y46-Y71 AromaticContact CD2-CE1 3.42Å; Y46-Y71 HydrophobicContact CD2-CE1 3.42Å; Y46-Y71 VanDerWaalsContact CD2-CE1 3.42Å; Y46-Y71 HydrophobicContact CE1-CE1 4.3Å; Y46-Y71 HydrophobicContact CE2-CD1 4.21Å; Y46-Y71 AromaticContact CE2-CE1 3.97Å; Y46-Y71 HydrophobicContact CE2-CE1 3.97Å; Y46-Y71 AromaticContact CG-CD1 3.9Å; Y46-Y71 HydrophobicContact CG-CD1 3.9Å; Y46-Y71 AromaticContact CG-CE1 3.32Å; Y46-Y71 HydrophobicContact CG-CE1 3.32Å; Y46-L73 HydrophobicContact CE1-CB 4.48Å; Y46-L73 HydrophobicContact CE1-CD1 3.83Å; Y46-L73 HydrophobicContact CE2-CB 3.78Å; Y46-L77 HydrophobicContact CD2-CD1 4.01Å; Y46-L77 HydrophobicContact CD2-CD2 4.28Å; Y46-L77 HydrophobicContact CD2-CG 4.31Å; Y46-L77 HydrophobicContact CE2-CD1 4Å; Y46-L77 HydrophobicContact CE2-CD2 3.69Å; Y46-L77 HydrophobicContact CE2-CG 3.78Å; Y46-W430 AromaticContact CD1-CE2 3.96Å; Y46-W430 HydrophobicContact CD1-CZ2 4.26Å; Y46-W430 AromaticContact CD1-NE1 3.57Å; Y46-W430 AromaticContact CE1-NE1 3.95Å
47	A	97.8	Very high	95.7	Very high	39 Å²	39	61.8 Å²	61.8	32%	0.322	31%	0.311	S	S	.	.	H	α-helix	trans	-66	-45.2	174.2	0	0	0	0	0	112.1	R43 S44 R45 K50 Q51 W430	R43-A47 PolarHBondContact O-N 2.91Å; R43-A47 VanDerWaalsContact O-N 3.07Å; S44-A47 PolarHBondContact O-N 3.46Å; R45-A47 VanDerWaalsContact C-N 3.34Å; R45-A47 PolarHBondContact O-N 2.72Å; A47-K50 PolarHBondContact O-N 2.89Å; A47-Q51 PolarHBondContact O-N 2.91Å; A47-W430 HydrophobicContact CB-CH2 3.73Å; A47-W430 HydrophobicContact CB-CZ2 4.36Å; A47-W430 HydrophobicContact CB-CZ3 4.22Å
48	Q	97.9	Very high	96.7	Very high	101 Å²	101	61.2 Å²	61.2	47%	0.472	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-45.4	179	-71.8	163.6	7.6	0	0	112.2	S44 R45 K50 Q51 A52 M64	S44-Q48 VanDerWaalsContact O-CG 3.29Å; S44-Q48 WeakPolarHBondContact O-CG 3.45Å; S44-Q48 PolarHBondContact O-N 3.41Å; S44-Q48 VanDerWaalsContact O-N 3.12Å; R45-Q48 PolarHBondContact O-N 3.44Å; Q48-K50 VanDerWaalsContact C-N 3.32Å; Q48-K50 PolarHBondContact O-N 3.02Å; Q48-Q51 PolarHBondContact O-N 3.05Å; Q48-A52 PolarHBondContact O-N 3.33Å; Q48-M64 HydrophobicContact CB-CE 3.84Å
49	I	98.3	Very high	97	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-38	178.6	-168.1	171.7	0	0	0	111.4	R45 Y46 A52 W53 V61 M64 M65 L68 L77	R45-I49 WeakPolarHBondContact O-CG2 3.29Å; R45-I49 PolarHBondContact O-N 3.35Å; Y46-I49 VanDerWaalsContact O-CG2 3.23Å; Y46-I49 WeakPolarHBondContact O-CG2 3.37Å; I49-A52 PolarHBondContact O-N 3.25Å; I49-W53 VanDerWaalsContact O-CB 3.28Å; I49-W53 WeakPolarHBondContact O-CB 3.39Å; I49-W53 PolarHBondContact O-N 2.65Å; I49-V61 HydrophobicContact CD1-CG1 4.18Å; I49-V61 HydrophobicContact CG1-CB 4.44Å; I49-V61 HydrophobicContact CG1-CG1 4.22Å; I49-V61 HydrophobicContact CG1-CG2 4.27Å; I49-M64 HydrophobicContact CB-CB 4.28Å; I49-M64 HydrophobicContact CB-CE 4.17Å; I49-M64 HydrophobicContact CB-SD 4.09Å; I49-M64 HydrophobicContact CD1-CB 3.73Å; I49-M64 HydrophobicContact CG1-CB 4.09Å; I49-M65 HydrophobicContact CD1-CB 4.47Å; I49-M65 HydrophobicContact CD1-CG 3.76Å; I49-M65 HydrophobicContact CD1-SD 3.7Å; I49-L68 HydrophobicContact CB-CD1 4.33Å; I49-L68 HydrophobicContact CD1-CD1 4.21Å; I49-L68 HydrophobicContact CG2-CD1 3.66Å; I49-L77 HydrophobicContact CD1-CD1 4.4Å; I49-L77 HydrophobicContact CG2-CD1 4.17Å; I49-L77 HydrophobicContact CG2-CD2 4.35Å
50	K	97.8	Very high	97.1	Very high	59 Å²	59	63.7 Å²	63.7	26%	0.257	32%	0.318	S	S	.	.	H	α-helix	trans	-63.2	-44.1	175.2	-76.8	175.2	61.4	-170.7	0	111.5	Y46 A47 Q48 W53 D54	Y46-K50 HydrophobicContact CD1-CD 3.97Å; Y46-K50 HydrophobicContact CE1-CD 3.46Å; Y46-K50 VanDerWaalsContact CE1-CD 3.46Å; Y46-K50 HydrophobicContact CE1-CG 4.48Å; Y46-K50 HydrophobicContact CE2-CD 4.44Å; Y46-K50 WeakPolarHBondContact O-CG 3.31Å; Y46-K50 PolarHBondContact O-N 3.11Å; A47-K50 PolarHBondContact O-N 2.89Å; Q48-K50 VanDerWaalsContact C-N 3.32Å; Q48-K50 PolarHBondContact O-N 3.02Å; K50-W53 PolarHBondContact O-N 2.82Å; K50-D54 WeakPolarHBondContact O-CB 3.42Å; K50-D54 PolarHBondContact O-N 2.77Å
51	Q	97.8	Very high	97.3	Very high	127 Å²	127	59.4 Å²	59.4	59%	0.593	30%	0.295	S	S	*	.	H	α-helix	trans	-60.9	-47.3	176.7	-175.4	-177.5	18.7	0	0	111.6	A47 Q48 W53 D54 N55	A47-Q51 PolarHBondContact O-N 2.91Å; Q48-Q51 PolarHBondContact O-N 3.05Å; Q51-W53 VanDerWaalsContact C-N 3.3Å; Q51-W53 PolarHBondContact O-N 3.15Å; Q51-D54 PolarHBondContact O-N 3.33Å; Q51-N55 PolarHBondContact O-N 3.47Å; Q51-N55 VanDerWaalsContact O-N 3.08Å; Q51-N55 PolarHBondContact O-ND2 3.25Å
52	A	98	Very high	97.4	Very high	5 Å²	5	61.6 Å²	61.6	4%	0.041	31%	0.305	C	S	.	.	H	α-helix	trans	-59.3	-42.5	176.1	0	0	0	0	0	111.5	Q48 I49 N55 R56 Q57 V60 V61	Q48-A52 PolarHBondContact O-N 3.33Å; I49-A52 PolarHBondContact O-N 3.25Å; A52-N55 CarbonylContact O-C 3.42Å; A52-N55 PolarHBondContact O-N 3.45Å; A52-R56 PolarHBondContact O-N 3.15Å; A52-Q57 HydrophobicContact CB-CB 4.25Å; A52-Q57 PolarHBondContact O-N 3.06Å; A52-V60 HydrophobicContact CB-CB 4.08Å; A52-V60 HydrophobicContact CB-CG1 3.83Å; A52-V61 HydrophobicContact CB-CG2 4.2Å
53	W	97.9	Very high	97.4	Very high	3 Å²	3	68.6 Å²	68.6	1%	0.011	34%	0.338	C	S	.	.	H	α-helix	trans	-68	-39.8	179	-154.2	-28.7	0	0	0	112.7	I49 K50 Q51 N55 R56 V61 M65 L77 R80 Q81 D84	I49-W53 VanDerWaalsContact O-CB 3.28Å; I49-W53 WeakPolarHBondContact O-CB 3.39Å; I49-W53 PolarHBondContact O-N 2.65Å; K50-W53 PolarHBondContact O-N 2.82Å; Q51-W53 VanDerWaalsContact C-N 3.3Å; Q51-W53 PolarHBondContact O-N 3.15Å; W53-N55 PolarHBondContact O-N 3.33Å; W53-R56 PolarHBondContact O-N 3.22Å; W53-V61 HydrophobicContact CB-CG2 3.71Å; W53-V61 HydrophobicContact CD2-CG1 3.86Å; W53-V61 HydrophobicContact CD2-CG2 4.23Å; W53-V61 HydrophobicContact CE3-CG1 3.59Å; W53-V61 HydrophobicContact CE3-CG2 4.39Å; W53-V61 HydrophobicContact CG-CG1 4.44Å; W53-V61 HydrophobicContact CG-CG2 3.98Å; W53-V61 HydrophobicContact CH2-CG1 4.32Å; W53-V61 HydrophobicContact CZ3-CG1 3.84Å; W53-M65 HydrophobicContact CH2-SD 4.45Å; W53-M65 HydrophobicContact CZ3-SD 3.9Å; W53-L77 HydrophobicContact CE3-CD2 4.44Å; W53-L77 WeakPolarHBondContact CH2-O 3.28Å; W53-L77 HydrophobicContact CZ3-CB 4.2Å; W53-L77 HydrophobicContact CZ3-CD2 4.15Å; W53-R80 HydrophobicContact CD2-CG 4.27Å; W53-R80 VanDerWaalsContact CG-CZ 3.44Å; W53-R80 HydrophobicContact CH2-CB 3.92Å; W53-R80 HydrophobicContact CH2-CG 4.06Å; W53-R80 HydrophobicContact CZ2-CB 3.96Å; W53-R80 HydrophobicContact CZ2-CG 3.62Å; W53-R80 HydrophobicContact CZ3-CB 4.44Å; W53-Q81 HydrophobicContact CH2-CB 3.89Å; W53-Q81 HydrophobicContact CZ2-CB 4.18Å; W53-D84 PolarHBondContact NE1-OD2 3.21Å
54	D	96.2	Very high	97.3	Very high	101 Å²	101	68.8 Å²	68.8	54%	0.54	34%	0.34	S	S	.	.	H	α-helix	trans	-63.1	-31.9	174.9	-67.2	-12	0	0	0	111.2	K50 Q51 R80	K50-D54 WeakPolarHBondContact O-CB 3.42Å; K50-D54 PolarHBondContact O-N 2.77Å; Q51-D54 PolarHBondContact O-N 3.33Å; D54-R80 IonicContact OD1-CZ 3.97Å; D54-R80 VanDerWaalsContact OD1-CZ 3.24Å; D54-R80 IonicContact OD1-NH1 3.2Å; D54-R80 PolarHBondContact OD1-NH1 3.34Å; D54-R80 IonicContact OD1-NH2 3.58Å; D54-R80 PolarHBondContact OD1-NH2 3.46Å
55	N	97.3	Very high	97.3	Very high	101 Å²	101	66.4 Å²	66.4	54%	0.54	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	3.5	173.3	-66.4	-26.3	0	0	0	114.5	Q51 A52 W53 Q57	Q51-N55 PolarHBondContact O-N 3.47Å; Q51-N55 VanDerWaalsContact O-N 3.08Å; Q51-N55 PolarHBondContact O-ND2 3.25Å; A52-N55 CarbonylContact O-C 3.42Å; A52-N55 PolarHBondContact O-N 3.45Å; W53-N55 PolarHBondContact O-N 3.33Å; N55-Q57 HydrophobicContact CB-CG 4.08Å; N55-Q57 PolarHBondContact O-N 3.42Å
56	R	96.5	Very high	97.3	Very high	148 Å²	148	67.8 Å²	67.8	56%	0.558	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	28.9	-177.2	-51.8	-62.3	-67.3	178.6	-0.2	114.7	A52 W53 M58 D84	A52-R56 PolarHBondContact O-N 3.15Å; W53-R56 PolarHBondContact O-N 3.22Å; R56-M58 PolarHBondContact O-N 3.07Å; R56-D84 IonicContact CZ-OD2 2.62Å; R56-D84 IonicContact NH1-OD2 3.81Å; R56-D84 PolarHBondContact NH1-OD2 3.35Å
57	Q	97.4	Very high	97.2	Very high	91 Å²	91	69.2 Å²	69.2	43%	0.425	36%	0.356	S	S	.	.			trans	-80.5	71.7	172.7	-61.5	175.1	-77.8	0	0	109.6	A52 N55 D59 V60 V61	A52-Q57 HydrophobicContact CB-CB 4.25Å; A52-Q57 PolarHBondContact O-N 3.06Å; N55-Q57 HydrophobicContact CB-CG 4.08Å; N55-Q57 PolarHBondContact O-N 3.42Å; Q57-D59 VanDerWaalsContact C-N 3.31Å; Q57-D59 VanDerWaalsContact C-OD1 3.29Å; Q57-D59 PolarHBondContact O-N 3.01Å; Q57-V60 HydrophobicContact CB-CB 4.43Å; Q57-V60 HydrophobicContact CB-CG2 4.3Å; Q57-V60 PolarHBondContact O-N 3.39Å; Q57-V61 PolarHBondContact O-N 3.29Å
58	M	96.4	Very high	97.1	Very high	53 Å²	53	67.4 Å²	67.4	26%	0.261	34%	0.341	S	S	.	.	H	α-helix	trans	-70.2	-26.2	-166.8	-57.9	-49	-58.4	0	0	113.6	R56 V60 V61 E62	R56-M58 PolarHBondContact O-N 3.07Å; M58-V60 VanDerWaalsContact C-N 3.33Å; M58-V60 PolarHBondContact O-N 3.45Å; M58-V61 HydrophobicContact CE-CB 4.18Å; M58-V61 HydrophobicContact CE-CG1 4.13Å; M58-V61 HydrophobicContact CE-CG2 4.39Å; M58-V61 PolarHBondContact O-N 3.4Å; M58-V61 HydrophobicContact SD-CG2 4.48Å; M58-E62 WeakPolarHBondContact O-CB 3.41Å; M58-E62 VanDerWaalsContact O-CG 3.28Å; M58-E62 WeakPolarHBondContact O-CG 3.25Å; M58-E62 PolarHBondContact O-N 2.93Å
59	D	97	Very high	97.1	Very high	114 Å²	114	68.9 Å²	68.9	61%	0.61	35%	0.346	S	S	*	.	H	α-helix	trans	-57.8	-45.2	171	59.2	-37.7	0	0	0	111.7	Q57 Q63	Q57-D59 VanDerWaalsContact C-N 3.31Å; Q57-D59 VanDerWaalsContact C-OD1 3.29Å; Q57-D59 PolarHBondContact O-N 3.01Å; D59-Q63 WeakPolarHBondContact O-CB 3.49Å; D59-Q63 PolarHBondContact O-N 3.15Å; D59-Q63 VanDerWaalsContact O-N 3.11Å
60	V	97.3	Very high	97	Very high	44 Å²	44	75.1 Å²	75.1	27%	0.267	38%	0.379	S	S	.	.	H	α-helix	trans	-66.9	-42.3	175.5	-179.8	0	0	0	0	110.7	A52 Q57 M58 Q63 M64	A52-V60 HydrophobicContact CB-CB 4.08Å; A52-V60 HydrophobicContact CB-CG1 3.83Å; Q57-V60 HydrophobicContact CB-CB 4.43Å; Q57-V60 HydrophobicContact CB-CG2 4.3Å; Q57-V60 PolarHBondContact O-N 3.39Å; M58-V60 VanDerWaalsContact C-N 3.33Å; M58-V60 PolarHBondContact O-N 3.45Å; V60-Q63 PolarHBondContact O-N 3.01Å; V60-M64 HydrophobicContact CG1-CG 4.23Å; V60-M64 HydrophobicContact CG1-SD 3.68Å; V60-M64 WeakPolarHBondContact O-CB 3.47Å; V60-M64 VanDerWaalsContact O-CG 3.24Å; V60-M64 WeakPolarHBondContact O-CG 3.33Å; V60-M64 PolarHBondContact O-N 3.04Å
61	V	97.5	Very high	97	Very high	4 Å²	4	72.4 Å²	72.4	2%	0.024	37%	0.367	C	S	.	.	H	α-helix	trans	-60.9	-48.9	178.3	175.3	0	0	0	0	110.9	I49 A52 W53 Q57 M58 Q63 M64 M65	I49-V61 HydrophobicContact CD1-CG1 4.18Å; I49-V61 HydrophobicContact CG1-CB 4.44Å; I49-V61 HydrophobicContact CG1-CG1 4.22Å; I49-V61 HydrophobicContact CG1-CG2 4.27Å; A52-V61 HydrophobicContact CB-CG2 4.2Å; W53-V61 HydrophobicContact CB-CG2 3.71Å; W53-V61 HydrophobicContact CD2-CG1 3.86Å; W53-V61 HydrophobicContact CD2-CG2 4.23Å; W53-V61 HydrophobicContact CE3-CG1 3.59Å; W53-V61 HydrophobicContact CE3-CG2 4.39Å; W53-V61 HydrophobicContact CG-CG1 4.44Å; W53-V61 HydrophobicContact CG-CG2 3.98Å; W53-V61 HydrophobicContact CH2-CG1 4.32Å; W53-V61 HydrophobicContact CZ3-CG1 3.84Å; Q57-V61 PolarHBondContact O-N 3.29Å; M58-V61 HydrophobicContact CE-CB 4.18Å; M58-V61 HydrophobicContact CE-CG1 4.13Å; M58-V61 HydrophobicContact CE-CG2 4.39Å; M58-V61 PolarHBondContact O-N 3.4Å; M58-V61 HydrophobicContact SD-CG2 4.48Å; V61-Q63 VanDerWaalsContact C-N 3.31Å; V61-Q63 PolarHBondContact O-N 3.29Å; V61-M64 PolarHBondContact O-N 3.11Å; V61-M65 HydrophobicContact CG1-CG 4.01Å; V61-M65 WeakPolarHBondContact O-CB 3.43Å; V61-M65 VanDerWaalsContact O-CG 3.24Å; V61-M65 WeakPolarHBondContact O-CG 3.29Å; V61-M65 PolarHBondContact O-N 3.3Å
62	E	96.2	Very high	97	Very high	140 Å²	140	67.8 Å²	67.8	65%	0.654	35%	0.348	S	S	*	.	H	α-helix	trans	-60.4	-40.2	179.2	-74.5	172.2	-165.6	0	0	112	M58 P66	M58-E62 WeakPolarHBondContact O-CB 3.41Å; M58-E62 VanDerWaalsContact O-CG 3.28Å; M58-E62 WeakPolarHBondContact O-CG 3.25Å; M58-E62 PolarHBondContact O-N 2.93Å; E62-P66 VanDerWaalsContact O-CD 3.28Å; E62-P66 WeakPolarHBondContact O-CD 3.02Å
63	Q	97	Very high	97	Very high	163 Å²	163	67.5 Å²	67.5	76%	0.762	35%	0.346	S	S	*	.	H	α-helix	trans	-65.9	-40.1	175.5	-175.8	-178.1	-13.4	0	0	112.5	D59 V60 V61	D59-Q63 WeakPolarHBondContact O-CB 3.49Å; D59-Q63 PolarHBondContact O-N 3.15Å; D59-Q63 VanDerWaalsContact O-N 3.11Å; V60-Q63 PolarHBondContact O-N 3.01Å; V61-Q63 VanDerWaalsContact C-N 3.31Å; V61-Q63 PolarHBondContact O-N 3.29Å
64	M	97.7	Very high	97.1	Very high	33 Å²	33	68.8 Å²	68.8	16%	0.163	35%	0.351	C	S	.	.	H	α-helix	trans	-83.1	-29.9	-173.7	-69.5	-175.7	77.8	0	0	113.9	R45 Q48 I49 V60 V61 G67	R45-M64 HydrophobicContact CB-CE 3.89Å; R45-M64 HydrophobicContact CG-CE 4.18Å; R45-M64 WeakPolarHBondContact O-CE 3.43Å; Q48-M64 HydrophobicContact CB-CE 3.84Å; I49-M64 HydrophobicContact CB-CB 4.28Å; I49-M64 HydrophobicContact CB-CE 4.17Å; I49-M64 HydrophobicContact CB-SD 4.09Å; I49-M64 HydrophobicContact CD1-CB 3.73Å; I49-M64 HydrophobicContact CG1-CB 4.09Å; V60-M64 HydrophobicContact CG1-CG 4.23Å; V60-M64 HydrophobicContact CG1-SD 3.68Å; V60-M64 WeakPolarHBondContact O-CB 3.47Å; V60-M64 VanDerWaalsContact O-CG 3.24Å; V60-M64 WeakPolarHBondContact O-CG 3.33Å; V60-M64 PolarHBondContact O-N 3.04Å; V61-M64 PolarHBondContact O-N 3.11Å; M64-G67 PolarHBondContact O-N 2.85Å
65	M	97	Very high	97.2	Very high	10 Å²	10	65 Å²	65	5%	0.049	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-52.3	-48.9	-175.1	-84.3	-65.6	-79.7	0	0	113.8	I49 W53 V61 G67 L68 Y74 L77	I49-M65 HydrophobicContact CD1-CB 4.47Å; I49-M65 HydrophobicContact CD1-CG 3.76Å; I49-M65 HydrophobicContact CD1-SD 3.7Å; W53-M65 HydrophobicContact CH2-SD 4.45Å; W53-M65 HydrophobicContact CZ3-SD 3.9Å; V61-M65 HydrophobicContact CG1-CG 4.01Å; V61-M65 WeakPolarHBondContact O-CB 3.43Å; V61-M65 VanDerWaalsContact O-CG 3.24Å; V61-M65 WeakPolarHBondContact O-CG 3.29Å; V61-M65 PolarHBondContact O-N 3.3Å; M65-G67 VanDerWaalsContact C-N 3.27Å; M65-G67 PolarHBondContact O-N 2.85Å; M65-L68 PolarHBondContact O-N 2.97Å; M65-Y74 HydrophobicContact CE-CE2 3.91Å; M65-Y74 VanDerWaalsContact O-CE2 3.3Å; M65-Y74 WeakPolarHBondContact O-CE2 3.31Å; M65-Y74 HydrophobicContact SD-CE2 4.33Å; M65-L77 HydrophobicContact CE-CB 3.88Å; M65-L77 HydrophobicContact SD-CB 3.71Å; M65-L77 HydrophobicContact SD-CD1 3.94Å; M65-L77 HydrophobicContact SD-CG 4.39Å
66	P	96.4	Very high	97.3	Very high	76 Å²	76	61.7 Å²	61.7	49%	0.494	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-62.3	-31.2	-177.2	-24.4	35.4	0	0	0	114.2	E62 L68 K69	E62-P66 VanDerWaalsContact O-CD 3.28Å; E62-P66 WeakPolarHBondContact O-CD 3.02Å; P66-L68 PolarHBondContact O-N 2.99Å; P66-K69 WeakPolarHBondContact O-CG 3.4Å
67	G	95.7	Very high	97.3	Very high	42 Å²	42	54.8 Å²	54.8	43%	0.433	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-80.7	5.6	-178.8	0	0	0	0	0	114.9	R45 M64 M65	R45-G67 PolarHBondContact NH2-O 3.38Å; M64-G67 PolarHBondContact O-N 2.85Å; M65-G67 VanDerWaalsContact C-N 3.27Å; M65-G67 PolarHBondContact O-N 2.85Å
68	L	97.1	Very high	97.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-116.1	6	178.4	-77.8	171.5	0	0	0	113.6	Q42 R45 I49 M65 P66 D70 Y71 Y74 L77	Q42-L68 HydrophobicContact CB-CD2 4.32Å; R45-L68 HydrophobicContact CB-CD2 4.03Å; R45-L68 HydrophobicContact CB-CG 4.5Å; I49-L68 HydrophobicContact CB-CD1 4.33Å; I49-L68 HydrophobicContact CD1-CD1 4.21Å; I49-L68 HydrophobicContact CG2-CD1 3.66Å; M65-L68 PolarHBondContact O-N 2.97Å; P66-L68 PolarHBondContact O-N 2.99Å; L68-D70 PolarHBondContact O-N 3.02Å; L68-D70 VanDerWaalsContact O-N 3.16Å; L68-Y71 HydrophobicContact CD2-CG 4.41Å; L68-Y71 VanDerWaalsContact O-CB 3.27Å; L68-Y71 WeakPolarHBondContact O-CB 3.42Å; L68-Y71 PolarHBondContact O-N 3.15Å; L68-Y74 HydrophobicContact CB-CD2 4.08Å; L68-Y74 WeakPolarHBondContact O-CB 3.3Å; L68-Y74 WeakPolarHBondContact O-CD2 3.34Å; L68-L77 HydrophobicContact CB-CD1 4.46Å; L68-L77 HydrophobicContact CD1-CD1 3.93Å
69	K	96.5	Very high	97.5	Very high	132 Å²	132	52.8 Å²	52.8	57%	0.574	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-32.3	-177	-73.9	176.1	178.6	179.2	0	114.5	P66 Y71 Y74	P66-K69 WeakPolarHBondContact O-CG 3.4Å; K69-Y71 VanDerWaalsContact C-N 3.34Å; K69-Y74 HydrophobicContact CG-CD1 4.45Å; K69-Y74 HydrophobicContact CG-CE1 3.89Å; K69-Y74 HydrophobicContact CG-CE2 4.08Å
70	D	96	Very high	97.5	Very high	131 Å²	131	50.3 Å²	50.3	70%	0.701	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-7.8	179.5	-59.6	-30.5	0	0	0	113	L68	L68-D70 PolarHBondContact O-N 3.02Å; L68-D70 VanDerWaalsContact O-N 3.16Å
71	Y	98.1	Very high	97.5	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.008	27%	0.266	C	S	.	.	S	Bend	trans	-76.3	132.6	179	-173.8	-120.7	0	0	0	110.5	L39 Q42 R43 Y46 L68 K69 L73 Y74 E426 W430	L39-Y71 HydrophobicContact CD1-CD2 3.93Å; L39-Y71 HydrophobicContact CD1-CE2 3.76Å; Q42-Y71 HydrophobicContact CB-CD2 3.55Å; Q42-Y71 HydrophobicContact CB-CE2 4.21Å; Q42-Y71 HydrophobicContact CB-CG 4.14Å; Q42-Y71 HydrophobicContact CG-CD2 4.5Å; R43-Y71 HydrophobicContact CG-CE2 4.04Å; Y46-Y71 AromaticContact CD1-CE1 3.8Å; Y46-Y71 HydrophobicContact CD1-CE1 3.8Å; Y46-Y71 AromaticContact CD2-CD1 3.59Å; Y46-Y71 HydrophobicContact CD2-CD1 3.59Å; Y46-Y71 AromaticContact CD2-CE1 3.42Å; Y46-Y71 HydrophobicContact CD2-CE1 3.42Å; Y46-Y71 VanDerWaalsContact CD2-CE1 3.42Å; Y46-Y71 HydrophobicContact CE1-CE1 4.3Å; Y46-Y71 HydrophobicContact CE2-CD1 4.21Å; Y46-Y71 AromaticContact CE2-CE1 3.97Å; Y46-Y71 HydrophobicContact CE2-CE1 3.97Å; Y46-Y71 AromaticContact CG-CD1 3.9Å; Y46-Y71 HydrophobicContact CG-CD1 3.9Å; Y46-Y71 AromaticContact CG-CE1 3.32Å; Y46-Y71 HydrophobicContact CG-CE1 3.32Å; L68-Y71 HydrophobicContact CD2-CG 4.41Å; L68-Y71 VanDerWaalsContact O-CB 3.27Å; L68-Y71 WeakPolarHBondContact O-CB 3.42Å; L68-Y71 PolarHBondContact O-N 3.15Å; K69-Y71 VanDerWaalsContact C-N 3.34Å; Y71-L73 HydrophobicContact CD1-CB 3.93Å; Y71-L73 HydrophobicContact CD1-CG 4.5Å; Y71-L73 HydrophobicContact CE1-CB 3.63Å; Y71-L73 HydrophobicContact CE1-CD1 4.08Å; Y71-L73 HydrophobicContact CE1-CG 3.84Å; Y71-L73 PolarHBondContact O-N 3.24Å; Y71-Y74 VanDerWaalsContact O-CB 3.26Å; Y71-Y74 WeakPolarHBondContact O-CB 3.42Å; Y71-Y74 PolarHBondContact O-N 3.21Å; Y71-E426 HydrophobicContact CE2-CG 3.99Å; Y71-E426 VanDerWaalsContact CE2-OE2 3.23Å; Y71-E426 WeakPolarHBondContact CE2-OE2 3.34Å; Y71-E426 PolarHBondContact OH-OE2 2.69Å; Y71-W430 PolarHBondContact OH-NE1 3.21Å
72	P	98.3	Very high	97.6	Very high	30 Å²	30	53.2 Å²	53.2	20%	0.195	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-32.5	-175.1	-30.8	36.6	0	0	0	115	P75 A422 R423 E426	P72-P75 WeakPolarHBondContact O-CD 3.48Å; P72-A422 HydrophobicContact CB-CB 4.11Å; P72-A422 HydrophobicContact CG-CB 3.98Å; P72-R423 HydrophobicContact CB-CG 4.2Å; P72-R423 WeakPolarHBondContact O-CD 3.3Å; P72-R423 VanDerWaalsContact O-CG 3.25Å; P72-R423 WeakPolarHBondContact O-CG 3.44Å; P72-E426 HydrophobicContact CB-CG 4.03Å; P72-E426 HydrophobicContact CG-CG 3.96Å
73	L	98.7	Very high	97.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	8.8	-179.2	-51.3	-175.2	0	0	0	114.2	Y46 Y71 P75 Y76 R423 E426 L427	Y46-L73 HydrophobicContact CE1-CB 4.48Å; Y46-L73 HydrophobicContact CE1-CD1 3.83Å; Y46-L73 HydrophobicContact CE2-CB 3.78Å; Y71-L73 HydrophobicContact CD1-CB 3.93Å; Y71-L73 HydrophobicContact CD1-CG 4.5Å; Y71-L73 HydrophobicContact CE1-CB 3.63Å; Y71-L73 HydrophobicContact CE1-CD1 4.08Å; Y71-L73 HydrophobicContact CE1-CG 3.84Å; Y71-L73 PolarHBondContact O-N 3.24Å; L73-P75 VanDerWaalsContact C-CD 3.45Å; L73-P75 VanDerWaalsContact C-N 3.32Å; L73-Y76 HydrophobicContact CB-CD2 4.36Å; L73-Y76 HydrophobicContact CD2-CD2 4.11Å; L73-Y76 HydrophobicContact CD2-CE2 4.19Å; L73-Y76 WeakPolarHBondContact O-CB 3.34Å; L73-Y76 PolarHBondContact O-N 3.09Å; L73-R423 HydrophobicContact CD2-CB 4.1Å; L73-R423 HydrophobicContact CD2-CG 4.3Å; L73-E426 HydrophobicContact CD1-CB 3.73Å; L73-E426 HydrophobicContact CD2-CB 3.97Å; L73-E426 HydrophobicContact CG-CB 3.68Å; L73-L427 HydrophobicContact CD1-CD2 4.12Å; L73-L427 HydrophobicContact CD2-CD2 4.01Å; L73-L427 HydrophobicContact CD2-CG 3.86Å
74	Y	98.5	Very high	97.5	Very high	30 Å²	30	43.3 Å²	43.3	12%	0.118	23%	0.225	C	C	.	.	H	α-helix	trans	-53.1	-41.4	174	-175.8	-106.3	0	0	0	113.8	M65 L68 K69 Y71 Y76 L77 E78	M65-Y74 HydrophobicContact CE-CE2 3.91Å; M65-Y74 VanDerWaalsContact O-CE2 3.3Å; M65-Y74 WeakPolarHBondContact O-CE2 3.31Å; M65-Y74 HydrophobicContact SD-CE2 4.33Å; L68-Y74 HydrophobicContact CB-CD2 4.08Å; L68-Y74 WeakPolarHBondContact O-CB 3.3Å; L68-Y74 WeakPolarHBondContact O-CD2 3.34Å; K69-Y74 HydrophobicContact CG-CD1 4.45Å; K69-Y74 HydrophobicContact CG-CE1 3.89Å; K69-Y74 HydrophobicContact CG-CE2 4.08Å; Y71-Y74 VanDerWaalsContact O-CB 3.26Å; Y71-Y74 WeakPolarHBondContact O-CB 3.42Å; Y71-Y74 PolarHBondContact O-N 3.21Å; Y74-Y76 PolarHBondContact O-N 3Å; Y74-Y76 VanDerWaalsContact O-N 3.08Å; Y74-L77 HydrophobicContact CD2-CD1 4.29Å; Y74-L77 WeakPolarHBondContact O-CA 3.35Å; Y74-L77 VanDerWaalsContact O-CB 3.32Å; Y74-L77 WeakPolarHBondContact O-CB 3.47Å; Y74-L77 PolarHBondContact O-N 3.41Å; Y74-E78 HydrophobicContact CD1-CG 3.91Å; Y74-E78 HydrophobicContact CE1-CG 3.45Å; Y74-E78 VanDerWaalsContact CE1-CG 3.45Å; Y74-E78 PolarHBondContact O-N 2.93Å
75	P	98.7	Very high	97.5	Very high	20 Å²	20	45.3 Å²	45.3	13%	0.13	24%	0.236	C	C	.	.	H	α-helix	trans	-60.4	-23.6	176.7	-26.5	37.1	0	0	0	114.5	P72 L73 Y79 F97 N101 L104	P72-P75 WeakPolarHBondContact O-CD 3.48Å; L73-P75 VanDerWaalsContact C-CD 3.45Å; L73-P75 VanDerWaalsContact C-N 3.32Å; P75-Y79 WeakPolarHBondContact O-CB 3.31Å; P75-Y79 PolarHBondContact O-N 3.32Å; P75-F97 WeakPolarHBondContact O-CZ 3.34Å; P75-N101 WeakPolarHBondContact CB-OD1 3.26Å; P75-L104 HydrophobicContact CB-CD1 4.47Å; P75-L104 HydrophobicContact CB-CD2 3.62Å
76	Y	98.6	Very high	97.5	Very high	32 Å²	32	45.5 Å²	45.5	13%	0.125	24%	0.238	C	C	.	.	H	α-helix	trans	-73.3	-31.3	172.1	-76	-92.8	0	0	0	112.3	L73 Y74 R80 L104 P106 L427 T435 E439	L73-Y76 HydrophobicContact CB-CD2 4.36Å; L73-Y76 HydrophobicContact CD2-CD2 4.11Å; L73-Y76 HydrophobicContact CD2-CE2 4.19Å; L73-Y76 WeakPolarHBondContact O-CB 3.34Å; L73-Y76 PolarHBondContact O-N 3.09Å; Y74-Y76 PolarHBondContact O-N 3Å; Y74-Y76 VanDerWaalsContact O-N 3.08Å; Y76-R80 PolarHBondContact O-N 3.06Å; Y76-R80 VanDerWaalsContact O-N 3.1Å; Y76-L104 HydrophobicContact CD2-CD1 3.98Å; Y76-L104 HydrophobicContact CE1-CD1 4.38Å; Y76-L104 HydrophobicContact CE2-CD1 3.5Å; Y76-P106 HydrophobicContact CD1-CG 4.09Å; Y76-P106 HydrophobicContact CE1-CG 3.76Å; Y76-L427 HydrophobicContact CE2-CD1 4.43Å; Y76-T435 HydrophobicContact CE1-CG2 3.52Å; Y76-T435 WeakPolarHBondContact OH-CG2 3.45Å; Y76-E439 WeakPolarHBondContact OH-CG 3.18Å; Y76-E439 PolarHBondContact OH-OE1 3.48Å
77	L	98.4	Very high	97.5	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-71.3	-43.6	173.1	-59.5	178.1	0	0	0	110.9	Y46 I49 W53 M65 L68 Y74 Y79 R80 Q81	Y46-L77 HydrophobicContact CD2-CD1 4.01Å; Y46-L77 HydrophobicContact CD2-CD2 4.28Å; Y46-L77 HydrophobicContact CD2-CG 4.31Å; Y46-L77 HydrophobicContact CE2-CD1 4Å; Y46-L77 HydrophobicContact CE2-CD2 3.69Å; Y46-L77 HydrophobicContact CE2-CG 3.78Å; I49-L77 HydrophobicContact CD1-CD1 4.4Å; I49-L77 HydrophobicContact CG2-CD1 4.17Å; I49-L77 HydrophobicContact CG2-CD2 4.35Å; W53-L77 HydrophobicContact CE3-CD2 4.44Å; W53-L77 WeakPolarHBondContact CH2-O 3.28Å; W53-L77 HydrophobicContact CZ3-CB 4.2Å; W53-L77 HydrophobicContact CZ3-CD2 4.15Å; M65-L77 HydrophobicContact CE-CB 3.88Å; M65-L77 HydrophobicContact SD-CB 3.71Å; M65-L77 HydrophobicContact SD-CD1 3.94Å; M65-L77 HydrophobicContact SD-CG 4.39Å; L68-L77 HydrophobicContact CB-CD1 4.46Å; L68-L77 HydrophobicContact CD1-CD1 3.93Å; Y74-L77 HydrophobicContact CD2-CD1 4.29Å; Y74-L77 WeakPolarHBondContact O-CA 3.35Å; Y74-L77 VanDerWaalsContact O-CB 3.32Å; Y74-L77 WeakPolarHBondContact O-CB 3.47Å; Y74-L77 PolarHBondContact O-N 3.41Å; L77-Y79 VanDerWaalsContact C-N 3.33Å; L77-Y79 PolarHBondContact O-N 3.02Å; L77-R80 WeakPolarHBondContact O-CB 3.3Å; L77-R80 PolarHBondContact O-N 3.43Å; L77-R80 VanDerWaalsContact O-N 3.13Å; L77-Q81 PolarHBondContact O-N 3.06Å
78	E	98.2	Very high	97.6	Very high	56 Å²	56	50.9 Å²	50.9	26%	0.262	25%	0.25	S	C	.	.	H	α-helix	trans	-59.4	-44.2	173.5	-68.9	-177	114.6	0	0	111.4	Y74 R80 Q81 I82 F97	Y74-E78 HydrophobicContact CD1-CG 3.91Å; Y74-E78 HydrophobicContact CE1-CG 3.45Å; Y74-E78 VanDerWaalsContact CE1-CG 3.45Å; Y74-E78 PolarHBondContact O-N 2.93Å; E78-R80 VanDerWaalsContact C-N 3.31Å; E78-R80 PolarHBondContact O-N 2.93Å; E78-Q81 WeakPolarHBondContact O-CB 3.5Å; E78-Q81 PolarHBondContact O-N 3.16Å; E78-I82 VanDerWaalsContact O-CG1 3.32Å; E78-I82 WeakPolarHBondContact O-CG1 3.34Å; E78-I82 PolarHBondContact O-N 2.98Å; E78-F97 HydrophobicContact CB-CD2 4.07Å; E78-F97 HydrophobicContact CB-CE2 3.59Å
79	Y	98.5	Very high	97.6	Very high	46 Å²	46	52.3 Å²	52.3	18%	0.18	26%	0.256	C	S	.	.	H	α-helix	trans	-57.2	-44	173.4	173.3	-98.4	0	0	0	112.1	P75 L77 I82 T83 F97 P106 L110 R113	P75-Y79 WeakPolarHBondContact O-CB 3.31Å; P75-Y79 PolarHBondContact O-N 3.32Å; L77-Y79 VanDerWaalsContact C-N 3.33Å; L77-Y79 PolarHBondContact O-N 3.02Å; Y79-I82 PolarHBondContact O-N 3.09Å; Y79-T83 HydrophobicContact CD2-CG2 4.03Å; Y79-T83 HydrophobicContact CE1-CG2 4.23Å; Y79-T83 HydrophobicContact CE2-CG2 3.59Å; Y79-T83 WeakPolarHBondContact O-CB 3.44Å; Y79-T83 WeakPolarHBondContact O-CG2 3.42Å; Y79-T83 PolarHBondContact O-N 3.02Å; Y79-T83 PolarHBondContact O-OG1 3.16Å; Y79-F97 HydrophobicContact CD2-CE1 4.25Å; Y79-P106 HydrophobicContact CD1-CB 4.06Å; Y79-P106 HydrophobicContact CD2-CB 3.8Å; Y79-P106 HydrophobicContact CE1-CB 4.04Å; Y79-P106 HydrophobicContact CE2-CB 3.77Å; Y79-P106 HydrophobicContact CG-CB 3.94Å; Y79-P106 HydrophobicContact CG-CG 4.45Å; Y79-L110 HydrophobicContact CD2-CD2 4.23Å; Y79-L110 HydrophobicContact CE2-CB 4.11Å; Y79-L110 HydrophobicContact CE2-CD1 4.15Å; Y79-L110 HydrophobicContact CE2-CD2 4.42Å; Y79-L110 HydrophobicContact CE2-CG 4.46Å; Y79-R113 PolarHBondContact OH-NH1 3.22Å
80	R	98	Very high	97.6	Very high	61 Å²	61	49 Å²	49	23%	0.23	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-46	175.9	-171.6	177.5	177.4	163.5	2	111	W53 D54 Y76 L77 E78 I82 T83 D84	W53-R80 HydrophobicContact CD2-CG 4.27Å; W53-R80 VanDerWaalsContact CG-CZ 3.44Å; W53-R80 HydrophobicContact CH2-CB 3.92Å; W53-R80 HydrophobicContact CH2-CG 4.06Å; W53-R80 HydrophobicContact CZ2-CB 3.96Å; W53-R80 HydrophobicContact CZ2-CG 3.62Å; W53-R80 HydrophobicContact CZ3-CB 4.44Å; D54-R80 IonicContact OD1-CZ 3.97Å; D54-R80 VanDerWaalsContact OD1-CZ 3.24Å; D54-R80 IonicContact OD1-NH1 3.2Å; D54-R80 PolarHBondContact OD1-NH1 3.34Å; D54-R80 IonicContact OD1-NH2 3.58Å; D54-R80 PolarHBondContact OD1-NH2 3.46Å; Y76-R80 PolarHBondContact O-N 3.06Å; Y76-R80 VanDerWaalsContact O-N 3.1Å; L77-R80 WeakPolarHBondContact O-CB 3.3Å; L77-R80 PolarHBondContact O-N 3.43Å; L77-R80 VanDerWaalsContact O-N 3.13Å; E78-R80 VanDerWaalsContact C-N 3.31Å; E78-R80 PolarHBondContact O-N 2.93Å; R80-I82 PolarHBondContact O-N 3.28Å; R80-T83 PolarHBondContact O-N 3.18Å; R80-T83 PolarHBondContact O-OG1 3.33Å; R80-D84 WeakPolarHBondContact O-CB 3.43Å; R80-D84 PolarHBondContact O-N 3.26Å
81	Q	97.4	Very high	97.6	Very high	98 Å²	98	44.4 Å²	44.4	46%	0.458	23%	0.229	S	C	.	.	H	α-helix	trans	-57.4	-49	176.8	-168.8	179.4	47.9	0	0	112.4	W53 L77 E78 T83	W53-Q81 HydrophobicContact CH2-CB 3.89Å; W53-Q81 HydrophobicContact CZ2-CB 4.18Å; L77-Q81 PolarHBondContact O-N 3.06Å; E78-Q81 WeakPolarHBondContact O-CB 3.5Å; E78-Q81 PolarHBondContact O-N 3.16Å; Q81-T83 VanDerWaalsContact C-N 3.33Å; Q81-T83 PolarHBondContact O-N 3.18Å
82	I	97.9	Very high	97.6	Very high	11 Å²	11	48.6 Å²	48.6	6%	0.056	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-41.4	-179.2	-67.3	167.3	0	0	0	110.5	E78 Y79 R80 L86 Q89 T93 V94 F97 L110	E78-I82 VanDerWaalsContact O-CG1 3.32Å; E78-I82 WeakPolarHBondContact O-CG1 3.34Å; E78-I82 PolarHBondContact O-N 2.98Å; Y79-I82 PolarHBondContact O-N 3.09Å; R80-I82 PolarHBondContact O-N 3.28Å; I82-L86 HydrophobicContact CG2-CD1 4.22Å; I82-L86 PolarHBondContact O-N 3.06Å; I82-Q89 HydrophobicContact CG2-CG 4.11Å; I82-Q89 WeakPolarHBondContact O-CG 3.37Å; I82-T93 HydrophobicContact CG1-CG2 4.45Å; I82-V94 HydrophobicContact CG2-CG2 4.2Å; I82-F97 HydrophobicContact CD1-CB 3.54Å; I82-F97 HydrophobicContact CD1-CD1 3.96Å; I82-F97 HydrophobicContact CD1-CD2 3.63Å; I82-F97 HydrophobicContact CD1-CE2 4.36Å; I82-F97 HydrophobicContact CD1-CG 3.4Å; I82-F97 VanDerWaalsContact CD1-CG 3.4Å; I82-L110 HydrophobicContact CG2-CD2 4.2Å
83	T	97.2	Very high	97.6	Very high	21 Å²	21	49.6 Å²	49.6	13%	0.129	26%	0.26	C	S	.	.	H	α-helix	trans	-81.3	-20.6	-176	58.4	0	0	0	0	114.8	Y79 R80 Q81 D85 L86 L110	Y79-T83 HydrophobicContact CD2-CG2 4.03Å; Y79-T83 HydrophobicContact CE1-CG2 4.23Å; Y79-T83 HydrophobicContact CE2-CG2 3.59Å; Y79-T83 WeakPolarHBondContact O-CB 3.44Å; Y79-T83 WeakPolarHBondContact O-CG2 3.42Å; Y79-T83 PolarHBondContact O-N 3.02Å; Y79-T83 PolarHBondContact O-OG1 3.16Å; R80-T83 PolarHBondContact O-N 3.18Å; R80-T83 PolarHBondContact O-OG1 3.33Å; Q81-T83 VanDerWaalsContact C-N 3.33Å; Q81-T83 PolarHBondContact O-N 3.18Å; T83-D85 PolarHBondContact O-N 3.31Å; T83-L86 HydrophobicContact CG2-CD1 4.49Å; T83-L110 HydrophobicContact CG2-CD1 3.77Å
84	D	95.6	Very high	97.5	Very high	74 Å²	74	49.6 Å²	49.6	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-28.9	173.1	-97.1	19.8	0	0	0	112	W53 R56 R80	W53-D84 PolarHBondContact NE1-OD2 3.21Å; R56-D84 IonicContact CZ-OD2 2.62Å; R56-D84 IonicContact NH1-OD2 3.81Å; R56-D84 PolarHBondContact NH1-OD2 3.35Å; R80-D84 WeakPolarHBondContact O-CB 3.43Å; R80-D84 PolarHBondContact O-N 3.26Å
85	D	96.2	Very high	97.5	Very high	75 Å²	75	49.5 Å²	49.5	40%	0.401	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	33.9	179.1	-168.1	28.5	0	0	0	112.6	T83 M87 N88 Q89	T83-D85 PolarHBondContact O-N 3.31Å; D85-M87 PolarHBondContact O-N 3.3Å; D85-N88 PolarHBondContact O-N 3.38Å; D85-N88 PolarHBondContact OD1-ND2 3.08Å; D85-N88 WeakPolarHBondContact OD2-CB 3.35Å; D85-Q89 WeakPolarHBondContact O-CG 3.49Å; D85-Q89 PolarHBondContact O-N 3.27Å
86	L	97.2	Very high	97.4	Very high	15 Å²	15	53.1 Å²	53.1	8%	0.079	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-28	-171	-162.8	64.8	0	0	0	113.3	I82 T83 N88 L110 R113 F114 E117 R121	I82-L86 HydrophobicContact CG2-CD1 4.22Å; I82-L86 PolarHBondContact O-N 3.06Å; T83-L86 HydrophobicContact CG2-CD1 4.49Å; L86-N88 VanDerWaalsContact C-N 3.29Å; L86-N88 PolarHBondContact O-N 3.17Å; L86-L110 HydrophobicContact CD1-CD1 4.02Å; L86-R113 HydrophobicContact CD2-CG 3.9Å; L86-F114 HydrophobicContact CD1-CD2 3.75Å; L86-F114 HydrophobicContact CD1-CE2 4.27Å; L86-F114 HydrophobicContact CG-CD2 4.14Å; L86-E117 HydrophobicContact CD2-CB 4.49Å; L86-E117 HydrophobicContact CG-CG 4.39Å; L86-R121 PolarHBondContact O-NH2 3.44Å
87	M	97.6	Very high	97.4	Very high	113 Å²	113	52.1 Å²	52.1	56%	0.557	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-24.4	179.5	-69.4	-175.3	176.9	0	0	114	D85 E117 R121	D85-M87 PolarHBondContact O-N 3.3Å; M87-E117 WeakPolarHBondContact CA-OE1 3.35Å; M87-R121 PolarHBondContact O-NE 2.74Å; M87-R121 PolarHBondContact O-NH2 3.3Å
88	N	97.1	Very high	97.4	Very high	118 Å²	118	53.3 Å²	53.3	63%	0.631	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-6.2	-179.7	-59.9	-53.3	0	0	0	112.9	D85 L86	D85-N88 PolarHBondContact O-N 3.38Å; D85-N88 PolarHBondContact OD1-ND2 3.08Å; D85-N88 WeakPolarHBondContact OD2-CB 3.35Å; L86-N88 VanDerWaalsContact C-N 3.29Å; L86-N88 PolarHBondContact O-N 3.17Å
89	Q	97.3	Very high	97.3	Very high	29 Å²	29	60 Å²	60	14%	0.136	31%	0.307	C	S	.	.			trans	-62.5	133.6	178.6	-70.3	-62.2	-21.8	0	0	112	I82 D85 V94 F114 R121	I82-Q89 HydrophobicContact CG2-CG 4.11Å; I82-Q89 WeakPolarHBondContact O-CG 3.37Å; D85-Q89 WeakPolarHBondContact O-CG 3.49Å; D85-Q89 PolarHBondContact O-N 3.27Å; Q89-V94 HydrophobicContact CB-CG2 4.21Å; Q89-F114 HydrophobicContact CB-CE2 4.28Å; Q89-R121 PolarHBondContact O-NH1 2.92Å; Q89-R121 PolarHBondContact O-NH2 3.05Å
90	P	96.8	Very high	97.3	Very high	63 Å²	63	61.3 Å²	61.3	41%	0.409	33%	0.328	S	S	.	.			trans	-78.1	148.7	170.3	33.8	-34.6	0	0	0	110.4	V92 T93	P90-V92 HydrophobicContact CB-CG1 4.17Å; P90-V92 HydrophobicContact CG-CG1 4.14Å; P90-V92 PolarHBondContact O-N 3.02Å; P90-V92 VanDerWaalsContact O-N 3.11Å; P90-T93 WeakPolarHBondContact CG-OG1 3.38Å; P90-T93 PolarHBondContact O-N 3.27Å; P90-T93 VanDerWaalsContact O-N 3.09Å
91	A	96.1	Very high	97.3	Very high	34 Å²	34	59.5 Å²	59.5	28%	0.281	32%	0.322	S	S	.	.	H	α-helix	trans	-59	-28.9	-176.8	0	0	0	0	0	113.6	V94 T95 F114 F130	A91-V94 PolarHBondContact O-N 2.63Å; A91-T95 WeakPolarHBondContact O-CB 3.41Å; A91-T95 PolarHBondContact O-N 3.4Å; A91-T95 PolarHBondContact O-OG1 3.44Å; A91-F114 HydrophobicContact CB-CE1 3.85Å; A91-F114 HydrophobicContact CB-CZ 4.42Å; A91-F130 HydrophobicContact CB-CD2 4.31Å
92	V	97.2	Very high	97.2	Very high	90 Å²	90	59.2 Å²	59.2	55%	0.545	33%	0.329	S	S	.	.	H	α-helix	trans	-63.6	-41.3	177	66.5	0	0	0	0	112.4	P90 V94 T95 N96	P90-V92 HydrophobicContact CB-CG1 4.17Å; P90-V92 HydrophobicContact CG-CG1 4.14Å; P90-V92 PolarHBondContact O-N 3.02Å; P90-V92 VanDerWaalsContact O-N 3.11Å; V92-V94 PolarHBondContact O-N 3.2Å; V92-T95 PolarHBondContact O-N 3.4Å; V92-N96 WeakPolarHBondContact O-CB 3.28Å; V92-N96 PolarHBondContact O-N 2.98Å; V92-N96 PolarHBondContact O-ND2 3.11Å; V92-N96 PolarHBondContact O-OD1 3.4Å
93	T	97.8	Very high	97.2	Very high	51 Å²	51	61.3 Å²	61.3	31%	0.313	34%	0.343	S	S	.	.	H	α-helix	trans	-62.9	-46.6	178.5	-60.7	0	0	0	0	110.6	I82 P90 N96 F97	I82-T93 HydrophobicContact CG1-CG2 4.45Å; P90-T93 WeakPolarHBondContact CG-OG1 3.38Å; P90-T93 PolarHBondContact O-N 3.27Å; P90-T93 VanDerWaalsContact O-N 3.09Å; T93-N96 PolarHBondContact O-N 3.32Å; T93-F97 PolarHBondContact O-N 2.95Å
94	V	97.9	Very high	97.2	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.6	-42.1	178.9	-176	0	0	0	0	111	I82 Q89 A91 V92 N96 F97 V98 L110 F114 F130	I82-V94 HydrophobicContact CG2-CG2 4.2Å; Q89-V94 HydrophobicContact CB-CG2 4.21Å; A91-V94 PolarHBondContact O-N 2.63Å; V92-V94 PolarHBondContact O-N 3.2Å; V94-N96 PolarHBondContact O-N 3.49Å; V94-F97 PolarHBondContact O-N 3.46Å; V94-V98 HydrophobicContact CG1-CG2 4.26Å; V94-V98 VanDerWaalsContact O-CG2 3.31Å; V94-V98 WeakPolarHBondContact O-CG2 3.29Å; V94-V98 PolarHBondContact O-N 2.77Å; V94-L110 HydrophobicContact CG1-CD2 3.96Å; V94-L110 HydrophobicContact CG1-CG 4Å; V94-F114 HydrophobicContact CB-CD1 4.03Å; V94-F114 HydrophobicContact CB-CE1 4.18Å; V94-F114 HydrophobicContact CB-CG 4.21Å; V94-F114 HydrophobicContact CB-CZ 4.48Å; V94-F114 HydrophobicContact CG1-CB 3.97Å; V94-F114 HydrophobicContact CG1-CD1 3.96Å; V94-F114 HydrophobicContact CG1-CD2 4.44Å; V94-F114 HydrophobicContact CG1-CG 3.86Å; V94-F114 HydrophobicContact CG2-CD1 4.09Å; V94-F114 HydrophobicContact CG2-CD2 3.79Å; V94-F114 HydrophobicContact CG2-CE1 4.03Å; V94-F114 HydrophobicContact CG2-CE2 3.71Å; V94-F114 HydrophobicContact CG2-CG 3.96Å; V94-F114 HydrophobicContact CG2-CZ 3.83Å; V94-F130 HydrophobicContact CB-CE2 4.02Å; V94-F130 HydrophobicContact CB-CZ 4.42Å; V94-F130 HydrophobicContact CG1-CE2 3.78Å; V94-F130 HydrophobicContact CG1-CZ 3.69Å
95	T	97	Very high	97.3	Very high	29 Å²	29	57.7 Å²	57.7	18%	0.178	32%	0.324	C	S	.	.	H	α-helix	trans	-59.6	-46.5	177	-59.7	0	0	0	0	111.2	A91 V92 V98 R99 F130	A91-T95 WeakPolarHBondContact O-CB 3.41Å; A91-T95 PolarHBondContact O-N 3.4Å; A91-T95 PolarHBondContact O-OG1 3.44Å; V92-T95 PolarHBondContact O-N 3.4Å; T95-V98 PolarHBondContact O-N 2.85Å; T95-R99 HydrophobicContact CG2-CG 4.43Å; T95-R99 WeakPolarHBondContact O-CB 3.37Å; T95-R99 VanDerWaalsContact O-CG 3.31Å; T95-R99 WeakPolarHBondContact O-CG 3.48Å; T95-R99 PolarHBondContact O-N 3.32Å; T95-F130 WeakPolarHBondContact OG1-CD2 3.25Å; T95-F130 WeakPolarHBondContact OG1-CE2 3.29Å
96	N	98.1	Very high	97.4	Very high	96 Å²	96	55 Å²	55	51%	0.513	31%	0.31	S	S	.	.	H	α-helix	trans	-61.7	-45.8	179	-70.4	-10.2	0	0	0	110.9	V92 T93 V94 R99 A100	V92-N96 WeakPolarHBondContact O-CB 3.28Å; V92-N96 PolarHBondContact O-N 2.98Å; V92-N96 PolarHBondContact O-ND2 3.11Å; V92-N96 PolarHBondContact O-OD1 3.4Å; T93-N96 PolarHBondContact O-N 3.32Å; V94-N96 PolarHBondContact O-N 3.49Å; N96-R99 PolarHBondContact O-N 3.09Å; N96-A100 VanDerWaalsContact O-CB 3.25Å; N96-A100 WeakPolarHBondContact O-CB 3.42Å; N96-A100 PolarHBondContact O-N 2.88Å
97	F	98.4	Very high	97.4	Very high	11 Å²	11	54.3 Å²	54.3	5%	0.048	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-46.5	178.4	179.2	-100.4	0	0	0	112.7	P75 E78 Y79 I82 T93 V94 R99 A100 N101 L104 A107 L110	P75-F97 WeakPolarHBondContact O-CZ 3.34Å; E78-F97 HydrophobicContact CB-CD2 4.07Å; E78-F97 HydrophobicContact CB-CE2 3.59Å; Y79-F97 HydrophobicContact CD2-CE1 4.25Å; I82-F97 HydrophobicContact CD1-CB 3.54Å; I82-F97 HydrophobicContact CD1-CD1 3.96Å; I82-F97 HydrophobicContact CD1-CD2 3.63Å; I82-F97 HydrophobicContact CD1-CE2 4.36Å; I82-F97 HydrophobicContact CD1-CG 3.4Å; I82-F97 VanDerWaalsContact CD1-CG 3.4Å; T93-F97 PolarHBondContact O-N 2.95Å; V94-F97 PolarHBondContact O-N 3.46Å; F97-R99 PolarHBondContact O-N 3.4Å; F97-A100 PolarHBondContact O-N 2.86Å; F97-N101 WeakPolarHBondContact CD2-ND2 3.39Å; F97-N101 VanDerWaalsContact CE2-ND2 3.35Å; F97-N101 WeakPolarHBondContact CE2-ND2 3.11Å; F97-N101 WeakPolarHBondContact O-CB 3.3Å; F97-N101 PolarHBondContact O-N 3.41Å; F97-N101 VanDerWaalsContact O-N 3.16Å; F97-N101 PolarHBondContact O-ND2 3.39Å; F97-L104 HydrophobicContact CE1-CD2 4.27Å; F97-L104 HydrophobicContact CZ-CD2 3.66Å; F97-A107 HydrophobicContact CD1-CB 4.34Å; F97-A107 HydrophobicContact CE1-CB 3.83Å; F97-L110 HydrophobicContact CD1-CD2 3.75Å; F97-L110 HydrophobicContact CE1-CD2 4.09Å
98	V	97.2	Very high	97.3	Very high	28 Å²	28	55.6 Å²	55.6	17%	0.17	31%	0.305	C	S	.	.	H	α-helix	trans	-63.5	-41.8	179.6	172.3	0	0	0	0	111.2	V94 T95 N101	V94-V98 HydrophobicContact CG1-CG2 4.26Å; V94-V98 VanDerWaalsContact O-CG2 3.31Å; V94-V98 WeakPolarHBondContact O-CG2 3.29Å; V94-V98 PolarHBondContact O-N 2.77Å; T95-V98 PolarHBondContact O-N 2.85Å; V98-N101 CarbonylContact O-C 3.56Å; V98-N101 PolarHBondContact O-N 2.67Å
99	R	96.7	Very high	97.2	Very high	197 Å²	197	53.9 Å²	53.9	74%	0.743	30%	0.3	S	S	*	.	H	α-helix	trans	-70.1	-36.9	178.6	-72.2	-178.6	-179.3	-170.7	1.4	113	T95 N96 F97 N101	T95-R99 HydrophobicContact CG2-CG 4.43Å; T95-R99 WeakPolarHBondContact O-CB 3.37Å; T95-R99 VanDerWaalsContact O-CG 3.31Å; T95-R99 WeakPolarHBondContact O-CG 3.48Å; T95-R99 PolarHBondContact O-N 3.32Å; N96-R99 PolarHBondContact O-N 3.09Å; F97-R99 PolarHBondContact O-N 3.4Å; R99-N101 PolarHBondContact O-N 3.03Å
100	A	97.8	Very high	97.2	Very high	74 Å²	74	52.5 Å²	52.5	61%	0.612	29%	0.293	S	S	*	.	H	α-helix	trans	-69.6	-23	177.2	0	0	0	0	0	112.7	N96 F97 P102	N96-A100 VanDerWaalsContact O-CB 3.25Å; N96-A100 WeakPolarHBondContact O-CB 3.42Å; N96-A100 PolarHBondContact O-N 2.88Å; F97-A100 PolarHBondContact O-N 2.86Å; A100-P102 VanDerWaalsContact C-CD 3.42Å; A100-P102 WeakPolarHBondContact O-CD 3.19Å
101	N	98.1	Very high	97.2	Very high	22 Å²	22	51.6 Å²	51.6	12%	0.118	28%	0.283	C	S	.	.			trans	-123.6	59.1	-172.9	-65.1	-76.6	0	0	0	113.2	P75 F97 V98 R99 T103 L104 A107	P75-N101 WeakPolarHBondContact CB-OD1 3.26Å; F97-N101 WeakPolarHBondContact CD2-ND2 3.39Å; F97-N101 VanDerWaalsContact CE2-ND2 3.35Å; F97-N101 WeakPolarHBondContact CE2-ND2 3.11Å; F97-N101 WeakPolarHBondContact O-CB 3.3Å; F97-N101 PolarHBondContact O-N 3.41Å; F97-N101 VanDerWaalsContact O-N 3.16Å; F97-N101 PolarHBondContact O-ND2 3.39Å; V98-N101 CarbonylContact O-C 3.56Å; V98-N101 PolarHBondContact O-N 2.67Å; R99-N101 PolarHBondContact O-N 3.03Å; N101-T103 VanDerWaalsContact C-N 3.31Å; N101-T103 PolarHBondContact O-N 3.43Å; N101-L104 HydrophobicContact CB-CB 3.79Å; N101-L104 HydrophobicContact CB-CD2 3.91Å; N101-L104 WeakPolarHBondContact O-CB 3.2Å; N101-L104 PolarHBondContact O-N 3.28Å; N101-A107 HydrophobicContact CB-CB 4.05Å
102	P	96.4	Very high	97.3	Very high	93 Å²	93	50.3 Å²	50.3	60%	0.604	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-28.3	-169.5	26.7	-35.8	0	0	0	114.5	A100	A100-P102 VanDerWaalsContact C-CD 3.42Å; A100-P102 WeakPolarHBondContact O-CD 3.19Å
103	T	96.7	Very high	97.3	Very high	54 Å²	54	51.2 Å²	51.2	33%	0.331	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-15.5	179.8	60	0	0	0	0	113.3	N101 P105 R423 N442	N101-T103 VanDerWaalsContact C-N 3.31Å; N101-T103 PolarHBondContact O-N 3.43Å; T103-P105 VanDerWaalsContact O-CD 3.29Å; T103-P105 WeakPolarHBondContact O-CD 3.32Å; T103-R423 PolarHBondContact OG1-NH2 3.24Å; T103-N442 PolarHBondContact O-ND2 2.88Å
104	L	98.4	Very high	97.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.251	C	S	.	.			trans	-69.9	116.8	-173.4	-179	66.2	0	0	0	110.5	P75 Y76 F97 N101 P106 A107 R108 E439	P75-L104 HydrophobicContact CB-CD1 4.47Å; P75-L104 HydrophobicContact CB-CD2 3.62Å; Y76-L104 HydrophobicContact CD2-CD1 3.98Å; Y76-L104 HydrophobicContact CE1-CD1 4.38Å; Y76-L104 HydrophobicContact CE2-CD1 3.5Å; F97-L104 HydrophobicContact CE1-CD2 4.27Å; F97-L104 HydrophobicContact CZ-CD2 3.66Å; N101-L104 HydrophobicContact CB-CB 3.79Å; N101-L104 HydrophobicContact CB-CD2 3.91Å; N101-L104 WeakPolarHBondContact O-CB 3.2Å; N101-L104 PolarHBondContact O-N 3.28Å; L104-P106 HydrophobicContact CD1-CG 3.93Å; L104-P106 HydrophobicContact CD2-CG 4.17Å; L104-P106 HydrophobicContact CG-CG 3.74Å; L104-A107 HydrophobicContact CB-CB 3.98Å; L104-A107 HydrophobicContact CD2-CB 4.09Å; L104-A107 HydrophobicContact CG-CB 4.23Å; L104-A107 WeakPolarHBondContact O-CB 3.33Å; L104-A107 PolarHBondContact O-N 2.94Å; L104-A107 VanDerWaalsContact O-N 3.09Å; L104-R108 PolarHBondContact O-N 2.82Å; L104-E439 WeakPolarHBondContact CD1-OE1 3.47Å
105	P	97.9	Very high	97.4	Very high	20 Å²	20	48.8 Å²	48.8	13%	0.13	25%	0.251	C	S	.	.	H	α-helix	trans	-53.1	-48.7	-178.1	-24.8	32.2	0	0	0	114.6	T103 A107 R108 T109 E439	T103-P105 VanDerWaalsContact O-CD 3.29Å; T103-P105 WeakPolarHBondContact O-CD 3.32Å; P105-A107 VanDerWaalsContact C-N 3.3Å; P105-A107 PolarHBondContact O-N 2.87Å; P105-R108 PolarHBondContact O-N 3.18Å; P105-R108 VanDerWaalsContact O-N 3.16Å; P105-T109 PolarHBondContact O-N 3.4Å; P105-T109 VanDerWaalsContact O-N 3.17Å; P105-E439 WeakPolarHBondContact CD-OE1 3.34Å; P105-E439 WeakPolarHBondContact CD-OE2 3.43Å; P105-E439 HydrophobicContact CG-CG 4.08Å
106	P	97.7	Very high	97.5	Very high	18 Å²	18	48.8 Å²	48.8	12%	0.117	25%	0.25	C	C	.	.	H	α-helix	trans	-65.6	-27.4	178.6	23	-32.9	0	0	0	114.1	Y76 Y79 L104 T109 L110	Y76-P106 HydrophobicContact CD1-CG 4.09Å; Y76-P106 HydrophobicContact CE1-CG 3.76Å; Y79-P106 HydrophobicContact CD1-CB 4.06Å; Y79-P106 HydrophobicContact CD2-CB 3.8Å; Y79-P106 HydrophobicContact CE1-CB 4.04Å; Y79-P106 HydrophobicContact CE2-CB 3.77Å; Y79-P106 HydrophobicContact CG-CB 3.94Å; Y79-P106 HydrophobicContact CG-CG 4.45Å; L104-P106 HydrophobicContact CD1-CG 3.93Å; L104-P106 HydrophobicContact CD2-CG 4.17Å; L104-P106 HydrophobicContact CG-CG 3.74Å; P106-T109 WeakPolarHBondContact CA-OG1 3.29Å; P106-T109 PolarHBondContact O-N 3.33Å; P106-T109 PolarHBondContact O-OG1 3.32Å; P106-L110 VanDerWaalsContact O-CB 3.27Å; P106-L110 WeakPolarHBondContact O-CB 3.39Å; P106-L110 PolarHBondContact O-N 3.39Å
107	A	97.5	Very high	97.5	Very high	1 Å²	1	45 Å²	45	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-65.5	-41.4	172.6	0	0	0	0	0	111.4	F97 N101 L104 P105 T109 L110 Q111	F97-A107 HydrophobicContact CD1-CB 4.34Å; F97-A107 HydrophobicContact CE1-CB 3.83Å; N101-A107 HydrophobicContact CB-CB 4.05Å; L104-A107 HydrophobicContact CB-CB 3.98Å; L104-A107 HydrophobicContact CD2-CB 4.09Å; L104-A107 HydrophobicContact CG-CB 4.23Å; L104-A107 WeakPolarHBondContact O-CB 3.33Å; L104-A107 PolarHBondContact O-N 2.94Å; L104-A107 VanDerWaalsContact O-N 3.09Å; P105-A107 VanDerWaalsContact C-N 3.3Å; P105-A107 PolarHBondContact O-N 2.87Å; A107-T109 VanDerWaalsContact C-N 3.32Å; A107-T109 PolarHBondContact O-N 3.46Å; A107-L110 WeakPolarHBondContact O-CB 3.37Å; A107-L110 PolarHBondContact O-N 3.18Å; A107-Q111 PolarHBondContact O-N 3.02Å
108	R	94.7	Very high	97.5	Very high	139 Å²	139	44.6 Å²	44.6	53%	0.525	23%	0.227	S	C	.	.	H	α-helix	trans	-63.7	-37.7	176.5	-59.9	-175.8	75.2	-133.7	-4.8	111.9	L104 P105	L104-R108 PolarHBondContact O-N 2.82Å; P105-R108 PolarHBondContact O-N 3.18Å; P105-R108 VanDerWaalsContact O-N 3.16Å
109	T	95.8	Very high	97.5	Very high	83 Å²	83	43.7 Å²	43.7	51%	0.509	22%	0.223	S	C	.	.	H	α-helix	trans	-76.1	-29.6	175	58.1	0	0	0	0	112.8	P105 P106 A107 Q111 S112 R113	P105-T109 PolarHBondContact O-N 3.4Å; P105-T109 VanDerWaalsContact O-N 3.17Å; P106-T109 WeakPolarHBondContact CA-OG1 3.29Å; P106-T109 PolarHBondContact O-N 3.33Å; P106-T109 PolarHBondContact O-OG1 3.32Å; A107-T109 VanDerWaalsContact C-N 3.32Å; A107-T109 PolarHBondContact O-N 3.46Å; T109-Q111 PolarHBondContact O-N 3.09Å; T109-S112 PolarHBondContact O-N 3.46Å; T109-R113 PolarHBondContact O-N 3.35Å
110	L	97.7	Very high	97.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-34.4	177	-173.3	59.7	0	0	0	111.7	Y79 I82 T83 L86 V94 F97 P106 A107 S112 R113 F114	Y79-L110 HydrophobicContact CD2-CD2 4.23Å; Y79-L110 HydrophobicContact CE2-CB 4.11Å; Y79-L110 HydrophobicContact CE2-CD1 4.15Å; Y79-L110 HydrophobicContact CE2-CD2 4.42Å; Y79-L110 HydrophobicContact CE2-CG 4.46Å; I82-L110 HydrophobicContact CG2-CD2 4.2Å; T83-L110 HydrophobicContact CG2-CD1 3.77Å; L86-L110 HydrophobicContact CD1-CD1 4.02Å; V94-L110 HydrophobicContact CG1-CD2 3.96Å; V94-L110 HydrophobicContact CG1-CG 4Å; F97-L110 HydrophobicContact CD1-CD2 3.75Å; F97-L110 HydrophobicContact CE1-CD2 4.09Å; P106-L110 VanDerWaalsContact O-CB 3.27Å; P106-L110 WeakPolarHBondContact O-CB 3.39Å; P106-L110 PolarHBondContact O-N 3.39Å; A107-L110 WeakPolarHBondContact O-CB 3.37Å; A107-L110 PolarHBondContact O-N 3.18Å; L110-S112 PolarHBondContact O-N 3.09Å; L110-R113 HydrophobicContact CD1-CB 4.44Å; L110-R113 PolarHBondContact O-N 3.43Å; L110-F114 WeakPolarHBondContact O-CB 3.36Å; L110-F114 PolarHBondContact O-N 3.21Å
111	Q	96.3	Very high	97.6	Very high	44 Å²	44	40.9 Å²	40.9	21%	0.206	20%	0.196	C	C	.	.	H	α-helix	trans	-51.7	-52.9	173.9	-174.4	68.5	17.8	0	0	111.5	A107 T109 V115 F130	A107-Q111 PolarHBondContact O-N 3.02Å; T109-Q111 PolarHBondContact O-N 3.09Å; Q111-V115 WeakPolarHBondContact O-CG2 3.46Å; Q111-V115 PolarHBondContact O-N 2.97Å; Q111-V115 VanDerWaalsContact O-N 3.13Å; Q111-F130 HydrophobicContact CG-CE1 4.42Å; Q111-F130 VanDerWaalsContact NE2-CE1 3.35Å; Q111-F130 PolarHBondContact NE2-O 3.09Å
112	S	97.7	Very high	97.6	Very high	7 Å²	7	46.7 Å²	46.7	5%	0.049	22%	0.223	C	C	.	.	H	α-helix	trans	-72.5	-35	179.9	-61.6	0	0	0	0	112.2	T109 L110 F114 V115 N116 G136 T137	T109-S112 PolarHBondContact O-N 3.46Å; L110-S112 PolarHBondContact O-N 3.09Å; S112-F114 VanDerWaalsContact C-N 3.33Å; S112-F114 PolarHBondContact O-N 3.45Å; S112-V115 PolarHBondContact O-N 3.37Å; S112-N116 PolarHBondContact O-N 3.06Å; S112-G136 PolarHBondContact OG-N 3.17Å; S112-T137 PolarHBondContact OG-N 3.4Å
113	R	98	Very high	97.7	Very high	109 Å²	109	45.4 Å²	45.4	41%	0.411	21%	0.211	S	C	.	.	H	α-helix	trans	-62.9	-39.9	176.3	-171.7	179.8	178.4	-176.7	-4	111.8	Y79 L86 T109 L110 N116 E117	Y79-R113 PolarHBondContact OH-NH1 3.22Å; L86-R113 HydrophobicContact CD2-CG 3.9Å; T109-R113 PolarHBondContact O-N 3.35Å; L110-R113 HydrophobicContact CD1-CB 4.44Å; L110-R113 PolarHBondContact O-N 3.43Å; R113-N116 WeakPolarHBondContact O-CB 3.49Å; R113-N116 PolarHBondContact O-N 3.13Å; R113-E117 PolarHBondContact O-N 3.43Å; R113-E117 VanDerWaalsContact O-N 3.1Å
114	F	98.4	Very high	97.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-77.5	-31	-179.9	-164.2	-111.7	0	0	0	112.6	L86 Q89 A91 V94 L110 S112 N116 E117 L118 F130	L86-F114 HydrophobicContact CD1-CD2 3.75Å; L86-F114 HydrophobicContact CD1-CE2 4.27Å; L86-F114 HydrophobicContact CG-CD2 4.14Å; Q89-F114 HydrophobicContact CB-CE2 4.28Å; A91-F114 HydrophobicContact CB-CE1 3.85Å; A91-F114 HydrophobicContact CB-CZ 4.42Å; V94-F114 HydrophobicContact CB-CD1 4.03Å; V94-F114 HydrophobicContact CB-CE1 4.18Å; V94-F114 HydrophobicContact CB-CG 4.21Å; V94-F114 HydrophobicContact CB-CZ 4.48Å; V94-F114 HydrophobicContact CG1-CB 3.97Å; V94-F114 HydrophobicContact CG1-CD1 3.96Å; V94-F114 HydrophobicContact CG1-CD2 4.44Å; V94-F114 HydrophobicContact CG1-CG 3.86Å; V94-F114 HydrophobicContact CG2-CD1 4.09Å; V94-F114 HydrophobicContact CG2-CD2 3.79Å; V94-F114 HydrophobicContact CG2-CE1 4.03Å; V94-F114 HydrophobicContact CG2-CE2 3.71Å; V94-F114 HydrophobicContact CG2-CG 3.96Å; V94-F114 HydrophobicContact CG2-CZ 3.83Å; L110-F114 WeakPolarHBondContact O-CB 3.36Å; L110-F114 PolarHBondContact O-N 3.21Å; S112-F114 VanDerWaalsContact C-N 3.33Å; S112-F114 PolarHBondContact O-N 3.45Å; F114-N116 VanDerWaalsContact C-N 3.25Å; F114-N116 PolarHBondContact O-N 3.47Å; F114-E117 HydrophobicContact CD2-CB 4.14Å; F114-E117 HydrophobicContact CD2-CG 4.29Å; F114-E117 HydrophobicContact CE2-CG 4.26Å; F114-E117 PolarHBondContact O-N 3.39Å; F114-E117 VanDerWaalsContact O-N 3.14Å; F114-L118 HydrophobicContact CD1-CD1 3.89Å; F114-L118 HydrophobicContact CD1-CG 4.09Å; F114-L118 HydrophobicContact CE1-CD1 3.74Å; F114-L118 HydrophobicContact CE1-CD2 3.93Å; F114-L118 HydrophobicContact CE1-CG 3.81Å; F114-L118 HydrophobicContact CZ-CD2 4.04Å; F114-L118 HydrophobicContact CZ-CG 4.26Å; F114-L118 WeakPolarHBondContact O-CG 3.41Å; F114-L118 PolarHBondContact O-N 2.82Å; F114-F130 HydrophobicContact CB-CE1 4.01Å; F114-F130 HydrophobicContact CB-CZ 4.09Å; F114-F130 AromaticContact CD1-CD1 3.92Å; F114-F130 HydrophobicContact CD1-CD1 3.92Å; F114-F130 AromaticContact CD1-CD2 3.98Å; F114-F130 HydrophobicContact CD1-CD2 3.98Å; F114-F130 AromaticContact CD1-CE1 3.73Å; F114-F130 HydrophobicContact CD1-CE1 3.73Å; F114-F130 AromaticContact CD1-CE2 3.8Å; F114-F130 HydrophobicContact CD1-CE2 3.8Å; F114-F130 HydrophobicContact CD1-CG 4.04Å; F114-F130 AromaticContact CD1-CZ 3.68Å; F114-F130 HydrophobicContact CD1-CZ 3.68Å; F114-F130 HydrophobicContact CE1-CD2 4.25Å; F114-F130 HydrophobicContact CE1-CE2 4.36Å; F114-F130 HydrophobicContact CE1-CG 4.42Å; F114-F130 HydrophobicContact CG-CE1 4.37Å; F114-F130 HydrophobicContact CG-CZ 4.31Å
115	V	98.6	Very high	97.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-55.1	-44.2	166	165.5	0	0	0	0	110.9	Q111 S112 E117 L118 A119 L127 F130 P135 A140 N143	Q111-V115 WeakPolarHBondContact O-CG2 3.46Å; Q111-V115 PolarHBondContact O-N 2.97Å; Q111-V115 VanDerWaalsContact O-N 3.13Å; S112-V115 PolarHBondContact O-N 3.37Å; V115-E117 VanDerWaalsContact C-N 3.35Å; V115-L118 PolarHBondContact O-N 3.24Å; V115-A119 WeakPolarHBondContact O-CB 3.49Å; V115-A119 PolarHBondContact O-N 2.96Å; V115-L127 HydrophobicContact CG1-CD1 3.97Å; V115-L127 HydrophobicContact CG1-CD2 4.02Å; V115-L127 HydrophobicContact CG1-CG 3.99Å; V115-L127 WeakPolarHBondContact O-CD1 3.28Å; V115-F130 HydrophobicContact CG2-CD1 4.08Å; V115-F130 HydrophobicContact CG2-CE1 4.21Å; V115-P135 HydrophobicContact CG1-CG 4.4Å; V115-P135 HydrophobicContact CG2-CB 4.42Å; V115-A140 HydrophobicContact CB-CB 4.15Å; V115-A140 HydrophobicContact CG1-CB 3.81Å; V115-N143 HydrophobicContact CG1-CB 4.39Å
116	N	98.6	Very high	97.8	Very high	29 Å²	29	54.1 Å²	54.1	16%	0.155	24%	0.24	C	C	.	.	H	α-helix	trans	-66.7	-36	176.6	-67.2	-15.6	0	0	0	112.5	S112 R113 F114 A119 R120 E139 A140 N143	S112-N116 PolarHBondContact O-N 3.06Å; R113-N116 WeakPolarHBondContact O-CB 3.49Å; R113-N116 PolarHBondContact O-N 3.13Å; F114-N116 VanDerWaalsContact C-N 3.25Å; F114-N116 PolarHBondContact O-N 3.47Å; N116-A119 WeakPolarHBondContact O-CB 3.4Å; N116-A119 PolarHBondContact O-N 3.21Å; N116-R120 PolarHBondContact O-N 2.84Å; N116-E139 PolarHBondContact ND2-OE2 2.79Å; N116-E139 VanDerWaalsContact ND2-OE2 3.16Å; N116-A140 WeakPolarHBondContact OD1-CA 3.42Å; N116-A140 PolarHBondContact OD1-N 2.93Å; N116-N143 PolarHBondContact OD1-ND2 3.29Å
117	E	98.4	Very high	97.8	Very high	17 Å²	17	53.3 Å²	53.3	8%	0.079	23%	0.234	C	C	.	.	H	α-helix	trans	-65.9	-44.5	174.7	175.9	52	-148.4	0	0	111.9	L86 M87 R113 F114 V115 A119 R120 R121	L86-E117 HydrophobicContact CD2-CB 4.49Å; L86-E117 HydrophobicContact CG-CG 4.39Å; M87-E117 WeakPolarHBondContact CA-OE1 3.35Å; R113-E117 PolarHBondContact O-N 3.43Å; R113-E117 VanDerWaalsContact O-N 3.1Å; F114-E117 HydrophobicContact CD2-CB 4.14Å; F114-E117 HydrophobicContact CD2-CG 4.29Å; F114-E117 HydrophobicContact CE2-CG 4.26Å; F114-E117 PolarHBondContact O-N 3.39Å; F114-E117 VanDerWaalsContact O-N 3.14Å; V115-E117 VanDerWaalsContact C-N 3.35Å; E117-A119 VanDerWaalsContact C-N 3.27Å; E117-A119 PolarHBondContact O-N 3.14Å; E117-R120 WeakPolarHBondContact O-CB 3.15Å; E117-R120 PolarHBondContact O-N 3.25Å; E117-R120 VanDerWaalsContact O-N 3.09Å; E117-R120 IonicContact OE1-CZ 3.65Å; E117-R120 IonicContact OE1-NE 3.75Å; E117-R120 PolarHBondContact OE1-NE 3.21Å; E117-R120 VanDerWaalsContact OE1-NE 3.16Å; E117-R120 IonicContact OE1-NH2 2.66Å; E117-R120 PolarHBondContact OE1-NH2 3.13Å; E117-R120 IonicContact OE2-CZ 2.8Å; E117-R120 IonicContact OE2-NE 3.67Å; E117-R120 PolarHBondContact OE2-NE 3.06Å; E117-R120 IonicContact OE2-NH2 3.77Å; E117-R121 WeakPolarHBondContact O-CG 3.33Å; E117-R121 PolarHBondContact O-N 3.16Å; E117-R121 IonicContact OE1-CZ 2.68Å; E117-R121 IonicContact OE1-NE 2.76Å; E117-R121 PolarHBondContact OE1-NE 3.22Å; E117-R121 IonicContact OE1-NH2 3.63Å
118	L	98.4	Very high	97.8	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-62.2	-36.6	175.1	-67.4	173	0	0	0	111.8	F114 V115 R120 R121 E122 D123 L127 F130	F114-L118 HydrophobicContact CD1-CD1 3.89Å; F114-L118 HydrophobicContact CD1-CG 4.09Å; F114-L118 HydrophobicContact CE1-CD1 3.74Å; F114-L118 HydrophobicContact CE1-CD2 3.93Å; F114-L118 HydrophobicContact CE1-CG 3.81Å; F114-L118 HydrophobicContact CZ-CD2 4.04Å; F114-L118 HydrophobicContact CZ-CG 4.26Å; F114-L118 WeakPolarHBondContact O-CG 3.41Å; F114-L118 PolarHBondContact O-N 2.82Å; V115-L118 PolarHBondContact O-N 3.24Å; L118-R120 VanDerWaalsContact C-N 3.35Å; L118-R121 CarbonylContact O-C 3.58Å; L118-R121 PolarHBondContact O-N 3.33Å; L118-E122 PolarHBondContact O-N 3.32Å; L118-D123 PolarHBondContact O-N 2.95Å; L118-L127 HydrophobicContact CB-CB 4.05Å; L118-L127 HydrophobicContact CB-CG 4.39Å; L118-L127 HydrophobicContact CD1-CB 4.42Å; L118-F130 HydrophobicContact CD1-CB 3.75Å; L118-F130 HydrophobicContact CD1-CD1 4.12Å; L118-F130 HydrophobicContact CD1-CG 4.04Å
119	A	98.5	Very high	98	Very high	8 Å²	8	51.7 Å²	51.7	7%	0.066	25%	0.247	C	C	.	.	H	α-helix	trans	-64.7	-37.5	173.3	0	0	0	0	0	112.7	V115 N116 E117 R121 E122 W124 L127 N143	V115-A119 WeakPolarHBondContact O-CB 3.49Å; V115-A119 PolarHBondContact O-N 2.96Å; N116-A119 WeakPolarHBondContact O-CB 3.4Å; N116-A119 PolarHBondContact O-N 3.21Å; E117-A119 VanDerWaalsContact C-N 3.27Å; E117-A119 PolarHBondContact O-N 3.14Å; A119-R121 VanDerWaalsContact C-N 3.27Å; A119-R121 PolarHBondContact O-N 3.1Å; A119-E122 PolarHBondContact O-N 2.88Å; A119-E122 VanDerWaalsContact O-N 3.09Å; A119-W124 HydrophobicContact CB-CH2 4.13Å; A119-W124 HydrophobicContact CB-CZ3 3.7Å; A119-W124 WeakPolarHBondContact O-CH2 3.4Å; A119-L127 HydrophobicContact CB-CD1 3.91Å; A119-N143 HydrophobicContact CB-CB 3.63Å
120	R	98.2	Very high	98.1	Very high	132 Å²	132	48.6 Å²	48.6	50%	0.498	23%	0.227	S	C	.	.	H	α-helix	trans	-64	-33.9	173.8	-170.3	-159.3	66.2	74.6	0.2	111.7	N116 E117 L118 E122	N116-R120 PolarHBondContact O-N 2.84Å; E117-R120 WeakPolarHBondContact O-CB 3.15Å; E117-R120 PolarHBondContact O-N 3.25Å; E117-R120 VanDerWaalsContact O-N 3.09Å; E117-R120 IonicContact OE1-CZ 3.65Å; E117-R120 IonicContact OE1-NE 3.75Å; E117-R120 PolarHBondContact OE1-NE 3.21Å; E117-R120 VanDerWaalsContact OE1-NE 3.16Å; E117-R120 IonicContact OE1-NH2 2.66Å; E117-R120 PolarHBondContact OE1-NH2 3.13Å; E117-R120 IonicContact OE2-CZ 2.8Å; E117-R120 IonicContact OE2-NE 3.67Å; E117-R120 PolarHBondContact OE2-NE 3.06Å; E117-R120 IonicContact OE2-NH2 3.77Å; L118-R120 VanDerWaalsContact C-N 3.35Å; R120-E122 PolarHBondContact O-N 3.41Å
121	R	98	Very high	98.1	Very high	80 Å²	80	48.9 Å²	48.9	30%	0.302	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-3.3	174.3	-60.2	175.7	-164.9	-177.5	6.7	113.3	L86 M87 Q89 E117 L118 A119 D123	L86-R121 PolarHBondContact O-NH2 3.44Å; M87-R121 PolarHBondContact O-NE 2.74Å; M87-R121 PolarHBondContact O-NH2 3.3Å; Q89-R121 PolarHBondContact O-NH1 2.92Å; Q89-R121 PolarHBondContact O-NH2 3.05Å; E117-R121 WeakPolarHBondContact O-CG 3.33Å; E117-R121 PolarHBondContact O-N 3.16Å; E117-R121 IonicContact OE1-CZ 2.68Å; E117-R121 IonicContact OE1-NE 2.76Å; E117-R121 PolarHBondContact OE1-NE 3.22Å; E117-R121 IonicContact OE1-NH2 3.63Å; L118-R121 CarbonylContact O-C 3.58Å; L118-R121 PolarHBondContact O-N 3.33Å; A119-R121 VanDerWaalsContact C-N 3.27Å; A119-R121 PolarHBondContact O-N 3.1Å; R121-D123 HydrophobicContact CB-CB 4.35Å; R121-D123 PolarHBondContact O-N 3.48Å; R121-D123 VanDerWaalsContact O-N 3.15Å
122	E	98.3	Very high	98.1	Very high	144 Å²	144	50.4 Å²	50.4	67%	0.673	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	22.8	-170.9	-55.6	-175	-161.8	0	0	113.7	L118 A119 R120 W124	L118-E122 PolarHBondContact O-N 3.32Å; A119-E122 PolarHBondContact O-N 2.88Å; A119-E122 VanDerWaalsContact O-N 3.09Å; R120-E122 PolarHBondContact O-N 3.41Å; E122-W124 VanDerWaalsContact C-N 3.26Å; E122-W124 HydrophobicContact CB-CZ2 4.02Å; E122-W124 HydrophobicContact CG-CZ2 4.05Å; E122-W124 VanDerWaalsContact O-CD1 3.29Å; E122-W124 PolarHBondContact O-N 2.88Å; E122-W124 PolarHBondContact O-NE1 3.25Å
123	D	98.3	Very high	98.1	Very high	67 Å²	67	57 Å²	57	36%	0.358	27%	0.272	S	S	.	.			trans	-83.5	69.7	178.1	-177.6	13.4	0	0	0	110.4	L118 R121 R125 G126 L127	L118-D123 PolarHBondContact O-N 2.95Å; R121-D123 HydrophobicContact CB-CB 4.35Å; R121-D123 PolarHBondContact O-N 3.48Å; R121-D123 VanDerWaalsContact O-N 3.15Å; D123-R125 VanDerWaalsContact C-N 3.3Å; D123-R125 PolarHBondContact O-N 2.91Å; D123-G126 PolarHBondContact O-N 3.49Å; D123-G126 WeakPolarHBondContact OD1-CA 3.46Å; D123-G126 PolarHBondContact OD1-N 3.43Å; D123-G126 WeakPolarHBondContact OD2-CA 3.32Å; D123-L127 WeakPolarHBondContact O-CB 3.32Å; D123-L127 PolarHBondContact O-N 3.02Å
124	W	98.4	Very high	98.1	Very high	31 Å²	31	55.5 Å²	55.5	12%	0.117	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-36.3	-176	-52.1	119.5	0	0	0	112.8	A119 E122 L127 L128 Y146 A147 N150 T151	A119-W124 HydrophobicContact CB-CH2 4.13Å; A119-W124 HydrophobicContact CB-CZ3 3.7Å; A119-W124 WeakPolarHBondContact O-CH2 3.4Å; E122-W124 VanDerWaalsContact C-N 3.26Å; E122-W124 HydrophobicContact CB-CZ2 4.02Å; E122-W124 HydrophobicContact CG-CZ2 4.05Å; E122-W124 VanDerWaalsContact O-CD1 3.29Å; E122-W124 PolarHBondContact O-N 2.88Å; E122-W124 PolarHBondContact O-NE1 3.25Å; W124-L127 HydrophobicContact CE3-CD1 4.31Å; W124-L127 HydrophobicContact CZ3-CD1 4.38Å; W124-L128 PolarHBondContact O-N 3.34Å; W124-Y146 HydrophobicContact CD2-CD1 4.33Å; W124-Y146 AromaticContact CE2-CE1 3.94Å; W124-Y146 HydrophobicContact CE3-CD1 4.15Å; W124-Y146 AromaticContact CH2-CD1 3.48Å; W124-Y146 HydrophobicContact CH2-CD1 3.48Å; W124-Y146 VanDerWaalsContact CH2-CD1 3.48Å; W124-Y146 AromaticContact CH2-CE1 3.76Å; W124-Y146 HydrophobicContact CH2-CE1 3.76Å; W124-Y146 AromaticContact CZ2-CD1 3.66Å; W124-Y146 HydrophobicContact CZ2-CD1 3.66Å; W124-Y146 AromaticContact CZ2-CE1 3.48Å; W124-Y146 HydrophobicContact CZ2-CE1 3.48Å; W124-Y146 VanDerWaalsContact CZ2-CE1 3.48Å; W124-Y146 AromaticContact CZ3-CD1 3.72Å; W124-Y146 HydrophobicContact CZ3-CD1 3.72Å; W124-Y146 HydrophobicContact CZ3-CE1 4.41Å; W124-A147 HydrophobicContact CB-CB 4.08Å; W124-A147 HydrophobicContact CE3-CB 3.84Å; W124-N150 HydrophobicContact CB-CB 3.86Å; W124-N150 HydrophobicContact CD2-CB 4.36Å; W124-N150 HydrophobicContact CG-CB 3.61Å; W124-T151 HydrophobicContact CB-CG2 4.37Å
125	R	97.9	Very high	98.1	Very high	211 Å²	211	55.9 Å²	55.9	80%	0.796	27%	0.271	S	S	*	.	H	α-helix	trans	-69.7	-45.9	177.3	-173.4	-179.4	175.9	-175.3	-0.5	110.6	D123 L127 L128 A129	D123-R125 VanDerWaalsContact C-N 3.3Å; D123-R125 PolarHBondContact O-N 2.91Å; R125-L127 VanDerWaalsContact C-N 3.3Å; R125-L127 PolarHBondContact O-N 2.99Å; R125-L128 PolarHBondContact O-N 3.28Å; R125-A129 WeakPolarHBondContact O-CB 3.47Å; R125-A129 PolarHBondContact O-N 3.22Å
126	G	97.6	Very high	97.9	Very high	15 Å²	15	58.9 Å²	58.9	16%	0.155	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-34.8	176.3	0	0	0	0	0	112.6	D123 A129 F130	D123-G126 PolarHBondContact O-N 3.49Å; D123-G126 WeakPolarHBondContact OD1-CA 3.46Å; D123-G126 PolarHBondContact OD1-N 3.43Å; D123-G126 WeakPolarHBondContact OD2-CA 3.32Å; G126-A129 PolarHBondContact O-N 3.03Å; G126-F130 VanDerWaalsContact O-CB 3.29Å; G126-F130 WeakPolarHBondContact O-CB 3.39Å; G126-F130 PolarHBondContact O-N 2.99Å
127	L	98.6	Very high	97.9	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58	-51.6	175	-170.4	162	0	0	0	111.5	V115 L118 A119 D123 W124 R125 A129 F130 S131 N143 Y144 A147	V115-L127 HydrophobicContact CG1-CD1 3.97Å; V115-L127 HydrophobicContact CG1-CD2 4.02Å; V115-L127 HydrophobicContact CG1-CG 3.99Å; V115-L127 WeakPolarHBondContact O-CD1 3.28Å; L118-L127 HydrophobicContact CB-CB 4.05Å; L118-L127 HydrophobicContact CB-CG 4.39Å; L118-L127 HydrophobicContact CD1-CB 4.42Å; A119-L127 HydrophobicContact CB-CD1 3.91Å; D123-L127 WeakPolarHBondContact O-CB 3.32Å; D123-L127 PolarHBondContact O-N 3.02Å; W124-L127 HydrophobicContact CE3-CD1 4.31Å; W124-L127 HydrophobicContact CZ3-CD1 4.38Å; R125-L127 VanDerWaalsContact C-N 3.3Å; R125-L127 PolarHBondContact O-N 2.99Å; L127-A129 VanDerWaalsContact C-N 3.34Å; L127-F130 PolarHBondContact O-N 3.23Å; L127-S131 PolarHBondContact O-N 3.2Å; L127-N143 HydrophobicContact CD1-CB 4.23Å; L127-Y144 HydrophobicContact CD2-CD2 4.31Å; L127-A147 HydrophobicContact CB-CB 4.39Å; L127-A147 HydrophobicContact CD1-CB 4.19Å; L127-A147 HydrophobicContact CD2-CB 3.94Å; L127-A147 HydrophobicContact CG-CB 4.41Å
128	L	98.4	Very high	97.9	Very high	25 Å²	25	62.4 Å²	62.4	13%	0.131	33%	0.326	C	S	.	.	H	α-helix	trans	-71.8	-27.8	179.2	-64.4	-177.9	0	0	0	112.8	W124 R125 S131 P132 Y144 A147 K148 T151	W124-L128 PolarHBondContact O-N 3.34Å; R125-L128 PolarHBondContact O-N 3.28Å; L128-S131 CarbonylContact O-C 3.4Å; L128-P132 VanDerWaalsContact O-CA 3.23Å; L128-P132 WeakPolarHBondContact O-CA 3.44Å; L128-P132 VanDerWaalsContact O-N 3.16Å; L128-Y144 HydrophobicContact CD2-CD2 3.67Å; L128-Y144 HydrophobicContact CD2-CE2 3.59Å; L128-Y144 HydrophobicContact CD2-CG 4.44Å; L128-A147 HydrophobicContact CD1-CB 4.31Å; L128-A147 HydrophobicContact CD2-CB 4.03Å; L128-A147 HydrophobicContact CG-CB 3.89Å; L128-K148 HydrophobicContact CD1-CD 4.09Å; L128-K148 HydrophobicContact CD2-CD 4.17Å; L128-K148 HydrophobicContact CD2-CG 4.23Å; L128-T151 HydrophobicContact CD1-CG2 4.11Å; L128-T151 VanDerWaalsContact CD1-OG1 3.23Å; L128-T151 WeakPolarHBondContact CD1-OG1 3.46Å
129	A	97.6	Very high	97.9	Very high	82 Å²	82	66.4 Å²	66.4	68%	0.678	35%	0.345	S	S	*	.	H	α-helix	trans	-68.9	-38.8	171.9	0	0	0	0	0	112	R125 G126 L127	R125-A129 WeakPolarHBondContact O-CB 3.47Å; R125-A129 PolarHBondContact O-N 3.22Å; G126-A129 PolarHBondContact O-N 3.03Å; L127-A129 VanDerWaalsContact C-N 3.34Å
130	F	97.6	Very high	97.9	Very high	17 Å²	17	66 Å²	66	8%	0.075	34%	0.342	C	S	.	.	H	α-helix	trans	-75.5	-40.2	178.3	174	-100.7	0	0	0	112.7	A91 V94 T95 Q111 F114 V115 L118 G126 L127	A91-F130 HydrophobicContact CB-CD2 4.31Å; V94-F130 HydrophobicContact CB-CE2 4.02Å; V94-F130 HydrophobicContact CB-CZ 4.42Å; V94-F130 HydrophobicContact CG1-CE2 3.78Å; V94-F130 HydrophobicContact CG1-CZ 3.69Å; T95-F130 WeakPolarHBondContact OG1-CD2 3.25Å; T95-F130 WeakPolarHBondContact OG1-CE2 3.29Å; Q111-F130 HydrophobicContact CG-CE1 4.42Å; Q111-F130 VanDerWaalsContact NE2-CE1 3.35Å; Q111-F130 PolarHBondContact NE2-O 3.09Å; F114-F130 HydrophobicContact CB-CE1 4.01Å; F114-F130 HydrophobicContact CB-CZ 4.09Å; F114-F130 AromaticContact CD1-CD1 3.92Å; F114-F130 HydrophobicContact CD1-CD1 3.92Å; F114-F130 AromaticContact CD1-CD2 3.98Å; F114-F130 HydrophobicContact CD1-CD2 3.98Å; F114-F130 AromaticContact CD1-CE1 3.73Å; F114-F130 HydrophobicContact CD1-CE1 3.73Å; F114-F130 AromaticContact CD1-CE2 3.8Å; F114-F130 HydrophobicContact CD1-CE2 3.8Å; F114-F130 HydrophobicContact CD1-CG 4.04Å; F114-F130 AromaticContact CD1-CZ 3.68Å; F114-F130 HydrophobicContact CD1-CZ 3.68Å; F114-F130 HydrophobicContact CE1-CD2 4.25Å; F114-F130 HydrophobicContact CE1-CE2 4.36Å; F114-F130 HydrophobicContact CE1-CG 4.42Å; F114-F130 HydrophobicContact CG-CE1 4.37Å; F114-F130 HydrophobicContact CG-CZ 4.31Å; V115-F130 HydrophobicContact CG2-CD1 4.08Å; V115-F130 HydrophobicContact CG2-CE1 4.21Å; L118-F130 HydrophobicContact CD1-CB 3.75Å; L118-F130 HydrophobicContact CD1-CD1 4.12Å; L118-F130 HydrophobicContact CD1-CG 4.04Å; G126-F130 VanDerWaalsContact O-CB 3.29Å; G126-F130 WeakPolarHBondContact O-CB 3.39Å; G126-F130 PolarHBondContact O-N 2.99Å; L127-F130 PolarHBondContact O-N 3.23Å
131	S	97.9	Very high	97.9	Very high	6 Å²	6	61.1 Å²	61.1	4%	0.042	32%	0.324	C	S	.	.			trans	-128.3	80.9	178.9	-165.3	0	0	0	0	109.5	L127 L128 E133 Y144	L127-S131 PolarHBondContact O-N 3.2Å; L128-S131 CarbonylContact O-C 3.4Å; S131-E133 VanDerWaalsContact C-N 3.25Å; S131-E133 PolarHBondContact O-N 3.42Å; S131-E133 PolarHBondContact OG-O 3.4Å; S131-Y144 VanDerWaalsContact O-CE2 3.3Å; S131-Y144 WeakPolarHBondContact O-CE2 3.44Å
132	P	97.4	Very high	98	Very high	76 Å²	76	57.3 Å²	57.3	49%	0.494	31%	0.31	S	S	.	.			trans	-65.9	-32.7	177.7	25.2	-33.5	0	0	0	111.8	L128 Y144	L128-P132 VanDerWaalsContact O-CA 3.23Å; L128-P132 WeakPolarHBondContact O-CA 3.44Å; L128-P132 VanDerWaalsContact O-N 3.16Å; P132-Y144 WeakPolarHBondContact O-CE2 3.43Å; P132-Y144 PolarHBondContact O-OH 2.82Å
133	E	97.2	Very high	98	Very high	145 Å²	145	50.7 Å²	50.7	68%	0.678	28%	0.279	S	S	*	.	S	Bend	trans	-89.1	156.1	176.2	-56.9	-53.7	140.3	0	0	112.2	S131	S131-E133 VanDerWaalsContact C-N 3.25Å; S131-E133 PolarHBondContact O-N 3.42Å; S131-E133 PolarHBondContact OG-O 3.4Å
134	K	98	Very high	98	Very high	79 Å²	79	47.9 Å²	47.9	34%	0.343	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-55.3	122.7	176.9	-177.4	-179.3	178.5	179.6	0	110.8	Q141 E163	K134-Q141 HydrophobicContact CG-CG 3.92Å; K134-E163 IonicContact NZ-OE1 3.28Å; K134-E163 PolarHBondContact NZ-OE1 2.89Å; K134-E163 IonicContact NZ-OE2 3.37Å; K134-E163 PolarHBondContact NZ-OE2 3.4Å
135	P	97.5	Very high	98	Very high	7 Å²	7	47.4 Å²	47.4	5%	0.045	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-74.9	169	-178.6	31.3	-36.8	0	0	0	112.7	V115 A140 Q141 Y144	V115-P135 HydrophobicContact CG1-CG 4.4Å; V115-P135 HydrophobicContact CG2-CB 4.42Å; P135-A140 HydrophobicContact CB-CB 3.75Å; P135-A140 VanDerWaalsContact CG-C 3.41Å; P135-A140 HydrophobicContact CG-CB 3.63Å; P135-A140 WeakPolarHBondContact CG-O 3.43Å; P135-Q141 HydrophobicContact CG-CG 4.12Å; P135-Q141 WeakPolarHBondContact O-CG 3.39Å; P135-Q141 PolarHBondContact O-NE2 3.46Å; P135-Y144 HydrophobicContact CG-CG 4.43Å
136	G	95	Very high	98.1	Very high	63 Å²	63	39.1 Å²	39.1	65%	0.649	23%	0.231	S	C	*	.	S	Bend	trans	-78	-41.3	-169.5	0	0	0	0	0	115.7	S112 Q141	S112-G136 PolarHBondContact OG-N 3.17Å; G136-Q141 PolarHBondContact O-NE2 2.97Å
137	T	97.9	Very high	98.1	Very high	64 Å²	64	38.4 Å²	38.4	39%	0.393	22%	0.224	S	C	.	.	S	Bend	trans	-86.6	148.3	-176.5	69.1	0	0	0	0	111.9	S112 E139 A140 Q141	S112-T137 PolarHBondContact OG-N 3.4Å; T137-E139 VanDerWaalsContact C-N 3.27Å; T137-E139 PolarHBondContact O-N 3.16Å; T137-A140 PolarHBondContact O-N 3.34Å; T137-A140 VanDerWaalsContact O-N 3.16Å; T137-A140 VanDerWaalsContact OG1-CB 3.29Å; T137-A140 WeakPolarHBondContact OG1-CB 3.37Å; T137-A140 PolarHBondContact OG1-N 2.72Å; T137-Q141 VanDerWaalsContact O-CG 3.32Å; T137-Q141 WeakPolarHBondContact O-CG 3.32Å; T137-Q141 PolarHBondContact O-N 2.99Å
138	T	98.6	Very high	98.1	Very high	56 Å²	56	39.3 Å²	39.3	34%	0.344	23%	0.228	S	C	.	.	H	α-helix	trans	-55.5	-42	177.4	-49.7	0	0	0	0	112.2	Q141 C142 L164 P172	T138-Q141 WeakPolarHBondContact O-CB 3.44Å; T138-Q141 PolarHBondContact O-N 2.82Å; T138-C142 PolarHBondContact O-N 3.32Å; T138-C142 PolarHBondContact O-SG 2.73Å; T138-L164 HydrophobicContact CG2-CD2 3.77Å; T138-P172 HydrophobicContact CG2-CG 4.2Å
139	E	98.7	Very high	98.2	Very high	87 Å²	87	41.8 Å²	41.8	41%	0.407	24%	0.235	S	C	.	.	H	α-helix	trans	-62.5	-44.8	178.5	-171.6	-174.2	-179.9	0	0	112	N116 T137 Q141 C142 N143 P172 A174	N116-E139 PolarHBondContact ND2-OE2 2.79Å; N116-E139 VanDerWaalsContact ND2-OE2 3.16Å; T137-E139 VanDerWaalsContact C-N 3.27Å; T137-E139 PolarHBondContact O-N 3.16Å; E139-Q141 VanDerWaalsContact C-N 3.29Å; E139-Q141 PolarHBondContact O-N 2.76Å; E139-C142 VanDerWaalsContact O-CB 3.32Å; E139-C142 WeakPolarHBondContact O-CB 3.27Å; E139-C142 PolarHBondContact O-N 3.27Å; E139-N143 PolarHBondContact O-N 2.9Å; E139-N143 PolarHBondContact O-ND2 2.96Å; E139-P172 HydrophobicContact CB-CB 3.96Å; E139-P172 HydrophobicContact CB-CG 3.97Å; E139-P172 HydrophobicContact CG-CB 4.02Å; E139-A174 HydrophobicContact CG-CB 3.81Å
140	A	98.6	Very high	98.2	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.9	-34.3	176.6	0	0	0	0	0	111.6	V115 N116 P135 T137 N143 Y144	V115-A140 HydrophobicContact CB-CB 4.15Å; V115-A140 HydrophobicContact CG1-CB 3.81Å; N116-A140 WeakPolarHBondContact OD1-CA 3.42Å; N116-A140 PolarHBondContact OD1-N 2.93Å; P135-A140 HydrophobicContact CB-CB 3.75Å; P135-A140 VanDerWaalsContact CG-C 3.41Å; P135-A140 HydrophobicContact CG-CB 3.63Å; P135-A140 WeakPolarHBondContact CG-O 3.43Å; T137-A140 PolarHBondContact O-N 3.34Å; T137-A140 VanDerWaalsContact O-N 3.16Å; T137-A140 VanDerWaalsContact OG1-CB 3.29Å; T137-A140 WeakPolarHBondContact OG1-CB 3.37Å; T137-A140 PolarHBondContact OG1-N 2.72Å; A140-N143 PolarHBondContact O-N 3.42Å; A140-Y144 WeakPolarHBondContact O-CB 3.41Å; A140-Y144 PolarHBondContact O-N 2.98Å
141	Q	98.8	Very high	98.2	Very high	28 Å²	28	43 Å²	43	13%	0.131	23%	0.233	C	C	.	.	H	α-helix	trans	-65.7	-40.4	174.2	-68.3	169.7	14.2	0	0	111.8	K134 P135 G136 T137 T138 E139 N143 Y144 Y145 L164	K134-Q141 HydrophobicContact CG-CG 3.92Å; P135-Q141 HydrophobicContact CG-CG 4.12Å; P135-Q141 WeakPolarHBondContact O-CG 3.39Å; P135-Q141 PolarHBondContact O-NE2 3.46Å; G136-Q141 PolarHBondContact O-NE2 2.97Å; T137-Q141 VanDerWaalsContact O-CG 3.32Å; T137-Q141 WeakPolarHBondContact O-CG 3.32Å; T137-Q141 PolarHBondContact O-N 2.99Å; T138-Q141 WeakPolarHBondContact O-CB 3.44Å; T138-Q141 PolarHBondContact O-N 2.82Å; E139-Q141 VanDerWaalsContact C-N 3.29Å; E139-Q141 PolarHBondContact O-N 2.76Å; Q141-N143 VanDerWaalsContact C-N 3.28Å; Q141-N143 PolarHBondContact O-N 3.39Å; Q141-Y144 PolarHBondContact O-N 3.3Å; Q141-Y145 WeakPolarHBondContact O-CD2 3.49Å; Q141-Y145 PolarHBondContact O-N 3.4Å; Q141-L164 HydrophobicContact CB-CD1 4.21Å; Q141-L164 HydrophobicContact CB-CD2 4.27Å
142	C	98.8	Very high	98.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-55.1	-47.4	172.8	-57.1	0	0	0	0	110.9	T138 E139 Y146 A174 C175	T138-C142 PolarHBondContact O-N 3.32Å; T138-C142 PolarHBondContact O-SG 2.73Å; E139-C142 VanDerWaalsContact O-CB 3.32Å; E139-C142 WeakPolarHBondContact O-CB 3.27Å; E139-C142 PolarHBondContact O-N 3.27Å; C142-Y146 WeakPolarHBondContact O-CB 3.5Å; C142-Y146 PolarHBondContact O-N 3.3Å; C142-Y146 VanDerWaalsContact O-N 3.09Å; C142-A174 HydrophobicContact CB-CB 4.02Å; C142-C175 HydrophobicContact CB-CB 3.85Å; C142-C175 WeakPolarHBondContact CB-SG 3.36Å; C142-C175 VanDerWaalsContact SG-CA 3.57Å; C142-C175 WeakPolarHBondContact SG-CB 3.28Å; C142-C175 CovalentContact SG-SG 2.02Å; C142-C175 PolarHBondContact SG-SG 2.96Å
143	N	98.9	Very high	98.3	Very high	6 Å²	6	46 Å²	46	3%	0.032	26%	0.256	C	S	.	.	H	α-helix	trans	-69.2	-38	179.6	-72.9	-36.4	0	0	0	112.8	V115 N116 A119 L127 E139 A140 Q141 Y146 A147 K177	V115-N143 HydrophobicContact CG1-CB 4.39Å; N116-N143 PolarHBondContact OD1-ND2 3.29Å; A119-N143 HydrophobicContact CB-CB 3.63Å; L127-N143 HydrophobicContact CD1-CB 4.23Å; E139-N143 PolarHBondContact O-N 2.9Å; E139-N143 PolarHBondContact O-ND2 2.96Å; A140-N143 PolarHBondContact O-N 3.42Å; Q141-N143 VanDerWaalsContact C-N 3.28Å; Q141-N143 PolarHBondContact O-N 3.39Å; N143-Y146 PolarHBondContact O-N 3Å; N143-A147 WeakPolarHBondContact O-CB 3.42Å; N143-A147 PolarHBondContact O-N 3.08Å; N143-K177 PolarHBondContact OD1-NZ 2.89Å
144	Y	98.9	Very high	98.3	Very high	8 Å²	8	41.1 Å²	41.1	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-59	-52.1	175.8	174.7	-93.8	0	0	0	111.9	L127 L128 S131 P132 P135 A140 Q141 Y146 A147 K148	L127-Y144 HydrophobicContact CD2-CD2 4.31Å; L128-Y144 HydrophobicContact CD2-CD2 3.67Å; L128-Y144 HydrophobicContact CD2-CE2 3.59Å; L128-Y144 HydrophobicContact CD2-CG 4.44Å; S131-Y144 VanDerWaalsContact O-CE2 3.3Å; S131-Y144 WeakPolarHBondContact O-CE2 3.44Å; P132-Y144 WeakPolarHBondContact O-CE2 3.43Å; P132-Y144 PolarHBondContact O-OH 2.82Å; P135-Y144 HydrophobicContact CG-CG 4.43Å; A140-Y144 WeakPolarHBondContact O-CB 3.41Å; A140-Y144 PolarHBondContact O-N 2.98Å; Q141-Y144 PolarHBondContact O-N 3.3Å; Y144-Y146 VanDerWaalsContact C-N 3.29Å; Y144-Y146 PolarHBondContact O-N 3Å; Y144-A147 WeakPolarHBondContact O-CB 3.3Å; Y144-A147 PolarHBondContact O-N 3.2Å; Y144-A147 VanDerWaalsContact O-N 3.11Å; Y144-K148 HydrophobicContact CD1-CG 4.29Å; Y144-K148 HydrophobicContact CE1-CD 4.44Å; Y144-K148 HydrophobicContact CE1-CG 4.02Å; Y144-K148 WeakPolarHBondContact O-CG 3.25Å; Y144-K148 PolarHBondContact O-N 3.03Å; Y144-K148 WeakPolarHBondContact OH-CE 3.47Å; Y144-K148 PolarHBondContact OH-NZ 3.04Å
145	Y	98.9	Very high	98.3	Very high	20 Å²	20	44.5 Å²	44.5	8%	0.078	26%	0.256	C	S	.	.	H	α-helix	trans	-70.3	-27.3	178.9	-67	-59.7	0	0	0	112.7	Q141 A147 K148 W149 A157 L164	Q141-Y145 WeakPolarHBondContact O-CD2 3.49Å; Q141-Y145 PolarHBondContact O-N 3.4Å; Y145-A147 VanDerWaalsContact C-N 3.35Å; Y145-K148 HydrophobicContact CD1-CG 4.38Å; Y145-K148 WeakPolarHBondContact O-CB 3.42Å; Y145-K148 PolarHBondContact O-N 2.99Å; Y145-W149 PolarHBondContact O-N 3.46Å; Y145-W149 VanDerWaalsContact O-N 3.07Å; Y145-A157 VanDerWaalsContact O-CB 3.29Å; Y145-A157 WeakPolarHBondContact O-CB 3.3Å; Y145-L164 HydrophobicContact CD2-CD1 3.74Å; Y145-L164 HydrophobicContact CE2-CD1 4.14Å
146	Y	98.9	Very high	98.3	Very high	37 Å²	37	47.4 Å²	47.4	15%	0.145	27%	0.269	C	S	.	.	H	α-helix	trans	-67.7	-36.2	169.9	-167.1	-104.4	0	0	0	112	W124 C142 N143 Y144 W149 N150 K177 L178 V181	W124-Y146 HydrophobicContact CD2-CD1 4.33Å; W124-Y146 AromaticContact CE2-CE1 3.94Å; W124-Y146 HydrophobicContact CE3-CD1 4.15Å; W124-Y146 AromaticContact CH2-CD1 3.48Å; W124-Y146 HydrophobicContact CH2-CD1 3.48Å; W124-Y146 VanDerWaalsContact CH2-CD1 3.48Å; W124-Y146 AromaticContact CH2-CE1 3.76Å; W124-Y146 HydrophobicContact CH2-CE1 3.76Å; W124-Y146 AromaticContact CZ2-CD1 3.66Å; W124-Y146 HydrophobicContact CZ2-CD1 3.66Å; W124-Y146 AromaticContact CZ2-CE1 3.48Å; W124-Y146 HydrophobicContact CZ2-CE1 3.48Å; W124-Y146 VanDerWaalsContact CZ2-CE1 3.48Å; W124-Y146 AromaticContact CZ3-CD1 3.72Å; W124-Y146 HydrophobicContact CZ3-CD1 3.72Å; W124-Y146 HydrophobicContact CZ3-CE1 4.41Å; C142-Y146 WeakPolarHBondContact O-CB 3.5Å; C142-Y146 PolarHBondContact O-N 3.3Å; C142-Y146 VanDerWaalsContact O-N 3.09Å; N143-Y146 PolarHBondContact O-N 3Å; Y144-Y146 VanDerWaalsContact C-N 3.29Å; Y144-Y146 PolarHBondContact O-N 3Å; Y146-W149 HydrophobicContact CD2-CE3 4.05Å; Y146-W149 HydrophobicContact CE1-CZ3 4.38Å; Y146-W149 AromaticContact CE2-CE3 3.67Å; Y146-W149 HydrophobicContact CE2-CE3 3.67Å; Y146-W149 AromaticContact CE2-CZ3 3.72Å; Y146-W149 HydrophobicContact CE2-CZ3 3.72Å; Y146-W149 AromaticContact CZ-CE3 3.94Å; Y146-W149 AromaticContact CZ-CZ3 3.63Å; Y146-W149 PolarHBondContact O-N 3.2Å; Y146-N150 VanDerWaalsContact CD1-ND2 3.26Å; Y146-N150 WeakPolarHBondContact CD1-ND2 3.37Å; Y146-N150 WeakPolarHBondContact CE1-ND2 3.41Å; Y146-N150 PolarHBondContact O-N 2.9Å; Y146-N150 PolarHBondContact O-ND2 3.13Å; Y146-K177 HydrophobicContact CD1-CD 3.83Å; Y146-K177 VanDerWaalsContact CD1-CE 3.41Å; Y146-K177 HydrophobicContact CD1-CG 4.41Å; Y146-K177 HydrophobicContact CD2-CB 4.34Å; Y146-K177 HydrophobicContact CD2-CD 4.13Å; Y146-K177 HydrophobicContact CD2-CG 3.83Å; Y146-K177 HydrophobicContact CE1-CD 3.68Å; Y146-K177 HydrophobicContact CE1-CG 4.4Å; Y146-K177 HydrophobicContact CE2-CB 3.9Å; Y146-K177 HydrophobicContact CE2-CD 4Å; Y146-K177 HydrophobicContact CE2-CG 3.82Å; Y146-K177 HydrophobicContact CG-CD 4.04Å; Y146-K177 HydrophobicContact CG-CG 4.12Å; Y146-L178 HydrophobicContact CD2-CB 4.36Å; Y146-V181 HydrophobicContact CD2-CG2 4.11Å; Y146-V181 HydrophobicContact CE2-CG1 4.03Å; Y146-V181 HydrophobicContact CE2-CG2 3.97Å
147	A	98.8	Very high	98.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-39.4	172.7	0	0	0	0	0	112	W124 L127 L128 N143 Y144 Y145 W149 N150 T151	W124-A147 HydrophobicContact CB-CB 4.08Å; W124-A147 HydrophobicContact CE3-CB 3.84Å; L127-A147 HydrophobicContact CB-CB 4.39Å; L127-A147 HydrophobicContact CD1-CB 4.19Å; L127-A147 HydrophobicContact CD2-CB 3.94Å; L127-A147 HydrophobicContact CG-CB 4.41Å; L128-A147 HydrophobicContact CD1-CB 4.31Å; L128-A147 HydrophobicContact CD2-CB 4.03Å; L128-A147 HydrophobicContact CG-CB 3.89Å; N143-A147 WeakPolarHBondContact O-CB 3.42Å; N143-A147 PolarHBondContact O-N 3.08Å; Y144-A147 WeakPolarHBondContact O-CB 3.3Å; Y144-A147 PolarHBondContact O-N 3.2Å; Y144-A147 VanDerWaalsContact O-N 3.11Å; Y145-A147 VanDerWaalsContact C-N 3.35Å; A147-W149 VanDerWaalsContact C-N 3.33Å; A147-W149 PolarHBondContact O-N 3.38Å; A147-N150 PolarHBondContact O-N 2.88Å; A147-T151 WeakPolarHBondContact O-CB 3.32Å; A147-T151 WeakPolarHBondContact O-CG2 3.49Å; A147-T151 PolarHBondContact O-N 3.46Å; A147-T151 PolarHBondContact O-OG1 3Å
148	K	98.7	Very high	98.5	Very high	19 Å²	19	42.8 Å²	42.8	8%	0.083	23%	0.225	C	C	.	.	H	α-helix	trans	-54.9	-48.1	171.6	-68.8	-75	-175.7	159.2	0	111.1	L128 Y144 Y145 T151 G152 Q153 E156 A157	L128-K148 HydrophobicContact CD1-CD 4.09Å; L128-K148 HydrophobicContact CD2-CD 4.17Å; L128-K148 HydrophobicContact CD2-CG 4.23Å; Y144-K148 HydrophobicContact CD1-CG 4.29Å; Y144-K148 HydrophobicContact CE1-CD 4.44Å; Y144-K148 HydrophobicContact CE1-CG 4.02Å; Y144-K148 WeakPolarHBondContact O-CG 3.25Å; Y144-K148 PolarHBondContact O-N 3.03Å; Y144-K148 WeakPolarHBondContact OH-CE 3.47Å; Y144-K148 PolarHBondContact OH-NZ 3.04Å; Y145-K148 HydrophobicContact CD1-CG 4.38Å; Y145-K148 WeakPolarHBondContact O-CB 3.42Å; Y145-K148 PolarHBondContact O-N 2.99Å; K148-T151 PolarHBondContact O-N 2.84Å; K148-T151 PolarHBondContact O-OG1 2.94Å; K148-G152 PolarHBondContact O-N 3.26Å; K148-Q153 HydrophobicContact CB-CB 4.15Å; K148-Q153 HydrophobicContact CD-CB 4.08Å; K148-Q153 WeakPolarHBondContact O-CA 3.46Å; K148-Q153 WeakPolarHBondContact O-CB 3.36Å; K148-Q153 PolarHBondContact O-N 2.92Å; K148-E156 WeakPolarHBondContact CE-OE1 3.26Å; K148-E156 IonicContact NZ-OE1 2.81Å; K148-E156 PolarHBondContact NZ-OE1 2.8Å; K148-E156 IonicContact NZ-OE2 2.73Å; K148-E156 PolarHBondContact NZ-OE2 2.65Å; K148-A157 HydrophobicContact CB-CB 4.05Å
149	W	98.6	Very high	98.5	Very high	78 Å²	78	46.1 Å²	46.1	30%	0.295	24%	0.236	S	C	.	.	H	α-helix	trans	-60.7	-49.5	175.7	170.5	72.7	0	0	0	112.6	Y145 Y146 A147 T151 G152 A157 W158 V181	Y145-W149 PolarHBondContact O-N 3.46Å; Y145-W149 VanDerWaalsContact O-N 3.07Å; Y146-W149 HydrophobicContact CD2-CE3 4.05Å; Y146-W149 HydrophobicContact CE1-CZ3 4.38Å; Y146-W149 AromaticContact CE2-CE3 3.67Å; Y146-W149 HydrophobicContact CE2-CE3 3.67Å; Y146-W149 AromaticContact CE2-CZ3 3.72Å; Y146-W149 HydrophobicContact CE2-CZ3 3.72Å; Y146-W149 AromaticContact CZ-CE3 3.94Å; Y146-W149 AromaticContact CZ-CZ3 3.63Å; Y146-W149 PolarHBondContact O-N 3.2Å; A147-W149 VanDerWaalsContact C-N 3.33Å; A147-W149 PolarHBondContact O-N 3.38Å; W149-T151 PolarHBondContact O-N 2.91Å; W149-T151 VanDerWaalsContact O-N 3.15Å; W149-G152 PolarHBondContact O-N 3.23Å; W149-G152 VanDerWaalsContact O-N 3.12Å; W149-A157 HydrophobicContact CB-CB 3.83Å; W149-W158 HydrophobicContact CB-CH2 4.4Å; W149-W158 AromaticContact CD1-CH2 3.3Å; W149-W158 AromaticContact CD1-CZ2 3.59Å; W149-W158 AromaticContact CG-CH2 3.89Å; W149-W158 HydrophobicContact CG-CH2 3.89Å; W149-W158 AromaticContact NE1-CH2 3.82Å; W149-V181 HydrophobicContact CD2-CB 4.2Å; W149-V181 HydrophobicContact CD2-CG1 4.41Å; W149-V181 HydrophobicContact CD2-CG2 3.89Å; W149-V181 HydrophobicContact CE3-CG1 4.3Å; W149-V181 HydrophobicContact CE3-CG2 4.14Å; W149-V181 HydrophobicContact CG-CG2 4.18Å; W149-V181 HydrophobicContact CH2-CB 4.43Å; W149-V181 HydrophobicContact CH2-CG1 3.74Å; W149-V181 HydrophobicContact CZ2-CB 4.08Å; W149-V181 HydrophobicContact CZ2-CG1 3.83Å; W149-V181 HydrophobicContact CZ3-CG1 3.99Å
150	N	98.5	Very high	98.5	Very high	66 Å²	66	42 Å²	42	35%	0.353	22%	0.217	S	C	.	.	H	α-helix	trans	-60.9	-24.5	179	-83.3	-80.4	0	0	0	113.8	W124 Y146 A147	W124-N150 HydrophobicContact CB-CB 3.86Å; W124-N150 HydrophobicContact CD2-CB 4.36Å; W124-N150 HydrophobicContact CG-CB 3.61Å; Y146-N150 VanDerWaalsContact CD1-ND2 3.26Å; Y146-N150 WeakPolarHBondContact CD1-ND2 3.37Å; Y146-N150 WeakPolarHBondContact CE1-ND2 3.41Å; Y146-N150 PolarHBondContact O-N 2.9Å; Y146-N150 PolarHBondContact O-ND2 3.13Å; A147-N150 PolarHBondContact O-N 2.88Å
151	T	98.2	Very high	98.5	Very high	57 Å²	57	42 Å²	42	35%	0.35	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	16.3	-178.9	55.8	0	0	0	0	113	W124 L128 A147 K148 W149	W124-T151 HydrophobicContact CB-CG2 4.37Å; L128-T151 HydrophobicContact CD1-CG2 4.11Å; L128-T151 VanDerWaalsContact CD1-OG1 3.23Å; L128-T151 WeakPolarHBondContact CD1-OG1 3.46Å; A147-T151 WeakPolarHBondContact O-CB 3.32Å; A147-T151 WeakPolarHBondContact O-CG2 3.49Å; A147-T151 PolarHBondContact O-N 3.46Å; A147-T151 PolarHBondContact O-OG1 3Å; K148-T151 PolarHBondContact O-N 2.84Å; K148-T151 PolarHBondContact O-OG1 2.94Å; W149-T151 PolarHBondContact O-N 2.91Å; W149-T151 VanDerWaalsContact O-N 3.15Å
152	G	97.9	Very high	98.5	Very high	62 Å²	62	44.9 Å²	44.9	64%	0.639	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	87	0.5	173.5	0	0	0	0	0	115.2	K148 W149 S154	K148-G152 PolarHBondContact O-N 3.26Å; W149-G152 PolarHBondContact O-N 3.23Å; W149-G152 VanDerWaalsContact O-N 3.12Å; G152-S154 VanDerWaalsContact C-N 3.27Å; G152-S154 PolarHBondContact O-N 3.01Å; G152-S154 VanDerWaalsContact O-N 3.12Å
153	Q	98.3	Very high	98.5	Very high	83 Å²	83	50.2 Å²	50.2	39%	0.388	25%	0.254	S	S	.	.			trans	-90.3	54.9	-179.2	-56.9	-175	-10.6	0	0	111.2	K148 E155 E156 A157	K148-Q153 HydrophobicContact CB-CB 4.15Å; K148-Q153 HydrophobicContact CD-CB 4.08Å; K148-Q153 WeakPolarHBondContact O-CA 3.46Å; K148-Q153 WeakPolarHBondContact O-CB 3.36Å; K148-Q153 PolarHBondContact O-N 2.92Å; Q153-E155 PolarHBondContact O-N 3.18Å; Q153-E156 PolarHBondContact O-N 3.11Å; Q153-E156 PolarHBondContact OE1-OE2 3.21Å; Q153-A157 PolarHBondContact O-N 2.79Å
154	S	98.1	Very high	98.5	Very high	44 Å²	44	50.2 Å²	50.2	31%	0.308	25%	0.254	S	S	.	.	H	α-helix	trans	-62.1	-40.9	-172.3	-71.5	0	0	0	0	113.6	G152 E156 A157 W158	G152-S154 VanDerWaalsContact C-N 3.27Å; G152-S154 PolarHBondContact O-N 3.01Å; G152-S154 VanDerWaalsContact O-N 3.12Å; S154-E156 PolarHBondContact O-N 2.84Å; S154-A157 WeakPolarHBondContact O-CB 3.42Å; S154-A157 PolarHBondContact O-N 2.88Å; S154-W158 VanDerWaalsContact O-CD2 3.3Å; S154-W158 PolarHBondContact O-N 2.97Å; S154-W158 PolarHBondContact O-NE1 3.26Å
155	E	98.1	Very high	98.5	Very high	150 Å²	150	50.4 Å²	50.4	70%	0.701	26%	0.255	S	S	*	.	H	α-helix	trans	-61.4	-46.1	-178.8	-174.7	173.8	-166.7	0	0	111.9	Q153 W158 Q159	Q153-E155 PolarHBondContact O-N 3.18Å; E155-W158 PolarHBondContact O-N 3.4Å; E155-Q159 WeakPolarHBondContact O-CG 3.34Å; E155-Q159 PolarHBondContact O-N 3.37Å; E155-Q159 VanDerWaalsContact O-N 3.15Å
156	E	98.2	Very high	98.4	Very high	68 Å²	68	52.7 Å²	52.7	32%	0.318	27%	0.268	S	S	.	.	H	α-helix	trans	-65.8	-38.8	176.4	-165.6	-176.9	162.6	0	0	111.6	K148 Q153 S154 W158 Q159 G160	K148-E156 WeakPolarHBondContact CE-OE1 3.26Å; K148-E156 IonicContact NZ-OE1 2.81Å; K148-E156 PolarHBondContact NZ-OE1 2.8Å; K148-E156 IonicContact NZ-OE2 2.73Å; K148-E156 PolarHBondContact NZ-OE2 2.65Å; Q153-E156 PolarHBondContact O-N 3.11Å; Q153-E156 PolarHBondContact OE1-OE2 3.21Å; S154-E156 PolarHBondContact O-N 2.84Å; E156-W158 VanDerWaalsContact C-N 3.27Å; E156-W158 PolarHBondContact O-N 3.09Å; E156-Q159 PolarHBondContact O-N 2.99Å; E156-G160 PolarHBondContact O-N 3.11Å; E156-G160 VanDerWaalsContact O-N 3.15Å
157	A	98.6	Very high	98.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.3	-38.9	174	0	0	0	0	0	112.2	Y145 K148 W149 Q153 S154 G160 A161	Y145-A157 VanDerWaalsContact O-CB 3.29Å; Y145-A157 WeakPolarHBondContact O-CB 3.3Å; K148-A157 HydrophobicContact CB-CB 4.05Å; W149-A157 HydrophobicContact CB-CB 3.83Å; Q153-A157 PolarHBondContact O-N 2.79Å; S154-A157 WeakPolarHBondContact O-CB 3.42Å; S154-A157 PolarHBondContact O-N 2.88Å; A157-G160 PolarHBondContact O-N 2.9Å; A157-A161 VanDerWaalsContact O-CB 3.29Å; A157-A161 WeakPolarHBondContact O-CB 3.49Å; A157-A161 PolarHBondContact O-N 3.37Å
158	W	98.6	Very high	98.4	Very high	30 Å²	30	52.9 Å²	52.9	11%	0.114	28%	0.275	C	S	.	.	H	α-helix	trans	-74.3	-34.3	-179.9	-54.6	151.4	0	0	0	113.6	W149 S154 E155 E156 G160 A161 K162 L178 V181 W182 K187	W149-W158 HydrophobicContact CB-CH2 4.4Å; W149-W158 AromaticContact CD1-CH2 3.3Å; W149-W158 AromaticContact CD1-CZ2 3.59Å; W149-W158 AromaticContact CG-CH2 3.89Å; W149-W158 HydrophobicContact CG-CH2 3.89Å; W149-W158 AromaticContact NE1-CH2 3.82Å; S154-W158 VanDerWaalsContact O-CD2 3.3Å; S154-W158 PolarHBondContact O-N 2.97Å; S154-W158 PolarHBondContact O-NE1 3.26Å; E155-W158 PolarHBondContact O-N 3.4Å; E156-W158 VanDerWaalsContact C-N 3.27Å; E156-W158 PolarHBondContact O-N 3.09Å; W158-G160 VanDerWaalsContact C-N 3.34Å; W158-A161 HydrophobicContact CE3-CB 4.4Å; W158-A161 PolarHBondContact O-N 3.42Å; W158-K162 WeakPolarHBondContact O-CB 3.4Å; W158-K162 PolarHBondContact O-N 2.91Å; W158-L178 HydrophobicContact CZ3-CD1 4.42Å; W158-V181 HydrophobicContact CH2-CB 4.21Å; W158-V181 HydrophobicContact CH2-CG2 3.83Å; W158-V181 HydrophobicContact CZ3-CG2 3.92Å; W158-W182 HydrophobicContact CD2-CB 4.35Å; W158-W182 AromaticContact CD2-CD1 3.47Å; W158-W182 VanDerWaalsContact CD2-CD1 3.47Å; W158-W182 HydrophobicContact CD2-CG 4.18Å; W158-W182 HydrophobicContact CE3-CB 3.5Å; W158-W182 VanDerWaalsContact CE3-CB 3.5Å; W158-W182 AromaticContact CE3-CD1 3.44Å; W158-W182 VanDerWaalsContact CE3-CD1 3.44Å; W158-W182 AromaticContact CE3-CG 3.68Å; W158-W182 HydrophobicContact CE3-CG 3.68Å; W158-W182 AromaticContact CG-CD1 3.66Å; W158-W182 HydrophobicContact CH2-CB 4.3Å; W158-W182 HydrophobicContact CZ3-CB 3.49Å; W158-W182 VanDerWaalsContact CZ3-CB 3.49Å; W158-W182 HydrophobicContact CZ3-CG 4.19Å; W158-K187 HydrophobicContact CG-CB 4.42Å
159	Q	98.4	Very high	98.3	Very high	125 Å²	125	59.3 Å²	59.3	58%	0.584	30%	0.302	S	S	*	.	H	α-helix	trans	-59.4	-48.9	171.2	-67.4	171.5	8.9	0	0	110.4	E155 E156 K162 E163	E155-Q159 WeakPolarHBondContact O-CG 3.34Å; E155-Q159 PolarHBondContact O-N 3.37Å; E155-Q159 VanDerWaalsContact O-N 3.15Å; E156-Q159 PolarHBondContact O-N 2.99Å; Q159-K162 PolarHBondContact O-N 2.96Å; Q159-E163 PolarHBondContact O-N 3.2Å; Q159-E163 VanDerWaalsContact O-N 3.11Å
160	G	98.4	Very high	98.3	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.4	-43	176.3	0	0	0	0	0	114.4	E156 A157 W158 K162 E163 L164	E156-G160 PolarHBondContact O-N 3.11Å; E156-G160 VanDerWaalsContact O-N 3.15Å; A157-G160 PolarHBondContact O-N 2.9Å; W158-G160 VanDerWaalsContact C-N 3.34Å; G160-K162 VanDerWaalsContact C-N 3.32Å; G160-K162 PolarHBondContact O-N 3.27Å; G160-E163 PolarHBondContact O-N 2.97Å; G160-L164 WeakPolarHBondContact O-CB 3.24Å; G160-L164 WeakPolarHBondContact O-CG 3.27Å; G160-L164 PolarHBondContact O-N 3.46Å
161	A	98.7	Very high	98.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.1	-42.9	176.2	0	0	0	0	0	111.3	A157 W158 L164 W165 L178 F179 W182	A157-A161 VanDerWaalsContact O-CB 3.29Å; A157-A161 WeakPolarHBondContact O-CB 3.49Å; A157-A161 PolarHBondContact O-N 3.37Å; W158-A161 HydrophobicContact CE3-CB 4.4Å; W158-A161 PolarHBondContact O-N 3.42Å; A161-L164 PolarHBondContact O-N 2.97Å; A161-W165 WeakPolarHBondContact O-CB 3.28Å; A161-W165 PolarHBondContact O-N 3.46Å; A161-L178 HydrophobicContact CB-CD1 4.19Å; A161-L178 HydrophobicContact CB-CD2 4.08Å; A161-L178 HydrophobicContact CB-CG 3.93Å; A161-F179 WeakPolarHBondContact O-CE1 3.33Å; A161-W182 HydrophobicContact CB-CB 4.16Å; A161-W182 HydrophobicContact CB-CD2 3.87Å; A161-W182 HydrophobicContact CB-CE3 3.9Å; A161-W182 HydrophobicContact CB-CG 3.99Å
162	K	98.7	Very high	98.2	Very high	90 Å²	90	57.4 Å²	57.4	39%	0.391	30%	0.303	S	S	.	.	H	α-helix	trans	-63.3	-44.9	177	-173.8	174.7	-177.7	173.7	0	111.8	W158 Q159 G160 L164 W165 L166 W182	W158-K162 WeakPolarHBondContact O-CB 3.4Å; W158-K162 PolarHBondContact O-N 2.91Å; Q159-K162 PolarHBondContact O-N 2.96Å; G160-K162 VanDerWaalsContact C-N 3.32Å; G160-K162 PolarHBondContact O-N 3.27Å; K162-L164 VanDerWaalsContact C-N 3.34Å; K162-L164 PolarHBondContact O-N 3.48Å; K162-W165 PolarHBondContact O-N 3.19Å; K162-L166 HydrophobicContact CG-CD1 3.89Å; K162-L166 HydrophobicContact CG-CG 4.44Å; K162-L166 WeakPolarHBondContact O-CG 3.43Å; K162-L166 PolarHBondContact O-N 3.22Å; K162-W182 HydrophobicContact CB-CH2 3.91Å; K162-W182 HydrophobicContact CB-CZ2 3.94Å; K162-W182 HydrophobicContact CG-CH2 4.16Å; K162-W182 HydrophobicContact CG-CZ2 4.34Å
163	E	98.4	Very high	98.2	Very high	111 Å²	111	60.7 Å²	60.7	52%	0.519	31%	0.306	S	S	.	.	H	α-helix	trans	-57.7	-47.4	175.7	-169.7	-164.4	148.5	0	0	111.3	K134 Q159 G160 W165	K134-E163 IonicContact NZ-OE1 3.28Å; K134-E163 PolarHBondContact NZ-OE1 2.89Å; K134-E163 IonicContact NZ-OE2 3.37Å; K134-E163 PolarHBondContact NZ-OE2 3.4Å; Q159-E163 PolarHBondContact O-N 3.2Å; Q159-E163 VanDerWaalsContact O-N 3.11Å; G160-E163 PolarHBondContact O-N 2.97Å; E163-W165 VanDerWaalsContact C-N 3.3Å; E163-W165 PolarHBondContact O-N 2.87Å
164	L	98.5	Very high	98.2	Very high	7 Å²	7	57.3 Å²	57.3	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-70.8	-23.8	179.4	-69.8	167.9	0	0	0	113.3	T138 Q141 Y145 G160 A161 K162 Q171 L178 F179	T138-L164 HydrophobicContact CG2-CD2 3.77Å; Q141-L164 HydrophobicContact CB-CD1 4.21Å; Q141-L164 HydrophobicContact CB-CD2 4.27Å; Y145-L164 HydrophobicContact CD2-CD1 3.74Å; Y145-L164 HydrophobicContact CE2-CD1 4.14Å; G160-L164 WeakPolarHBondContact O-CB 3.24Å; G160-L164 WeakPolarHBondContact O-CG 3.27Å; G160-L164 PolarHBondContact O-N 3.46Å; A161-L164 PolarHBondContact O-N 2.97Å; K162-L164 VanDerWaalsContact C-N 3.34Å; K162-L164 PolarHBondContact O-N 3.48Å; L164-Q171 PolarHBondContact O-NE2 3.1Å; L164-L178 HydrophobicContact CD1-CD2 4.07Å; L164-F179 HydrophobicContact CB-CE1 4.07Å; L164-F179 HydrophobicContact CB-CZ 4.1Å
165	W	98.6	Very high	98.2	Very high	12 Å²	12	55.2 Å²	55.2	5%	0.045	28%	0.277	C	S	.	.	H	α-helix	trans	-78.7	-39.3	-178.6	178.6	-93.2	0	0	0	112.7	A161 K162 E163 T167 F179 W182 A192 Y193 R196 L212	A161-W165 WeakPolarHBondContact O-CB 3.28Å; A161-W165 PolarHBondContact O-N 3.46Å; K162-W165 PolarHBondContact O-N 3.19Å; E163-W165 VanDerWaalsContact C-N 3.3Å; E163-W165 PolarHBondContact O-N 2.87Å; W165-T167 PolarHBondContact O-N 3.42Å; W165-F179 HydrophobicContact CB-CD1 4.44Å; W165-F179 HydrophobicContact CB-CE1 3.9Å; W165-F179 HydrophobicContact CB-CZ 4.26Å; W165-F179 HydrophobicContact CE3-CB 3.91Å; W165-F179 AromaticContact CE3-CD1 3.64Å; W165-F179 HydrophobicContact CE3-CD1 3.64Å; W165-F179 AromaticContact CE3-CD2 3.63Å; W165-F179 HydrophobicContact CE3-CD2 3.63Å; W165-F179 AromaticContact CE3-CE1 3.98Å; W165-F179 HydrophobicContact CE3-CE1 3.98Å; W165-F179 AromaticContact CE3-CE2 3.95Å; W165-F179 HydrophobicContact CE3-CE2 3.95Å; W165-F179 AromaticContact CE3-CG 3.45Å; W165-F179 HydrophobicContact CE3-CG 3.45Å; W165-F179 VanDerWaalsContact CE3-CG 3.45Å; W165-F179 HydrophobicContact CE3-CZ 4.12Å; W165-F179 HydrophobicContact CZ3-CB 3.76Å; W165-F179 HydrophobicContact CZ3-CD1 4.37Å; W165-F179 AromaticContact CZ3-CD2 3.78Å; W165-F179 HydrophobicContact CZ3-CD2 3.78Å; W165-F179 HydrophobicContact CZ3-CE2 4.43Å; W165-F179 AromaticContact CZ3-CG 3.73Å; W165-F179 HydrophobicContact CZ3-CG 3.73Å; W165-W182 HydrophobicContact CB-CH2 4.31Å; W165-W182 HydrophobicContact CB-CZ3 3.67Å; W165-W182 AromaticContact CD2-CZ3 3.91Å; W165-W182 HydrophobicContact CD2-CZ3 3.91Å; W165-W182 HydrophobicContact CE3-CZ3 4.29Å; W165-W182 HydrophobicContact CG-CH2 4.27Å; W165-W182 AromaticContact CG-CZ3 3.63Å; W165-W182 HydrophobicContact CG-CZ3 3.63Å; W165-A192 PolarHBondContact NE1-O 3.41Å; W165-Y193 HydrophobicContact CH2-CD2 4.02Å; W165-Y193 AromaticContact CH2-CE2 3.78Å; W165-Y193 HydrophobicContact CH2-CE2 3.78Å; W165-Y193 AromaticContact CZ2-CD2 3.57Å; W165-Y193 HydrophobicContact CZ2-CD2 3.57Å; W165-Y193 AromaticContact CZ2-CE2 3.76Å; W165-Y193 HydrophobicContact CZ2-CE2 3.76Å; W165-Y193 HydrophobicContact CZ2-CG 4.12Å; W165-R196 VanDerWaalsContact CD2-CD 3.44Å; W165-R196 HydrophobicContact CZ2-CB 4.2Å; W165-R196 HydrophobicContact CZ2-CG 4.47Å; W165-R196 VanDerWaalsContact NE1-CB 3.31Å; W165-R196 WeakPolarHBondContact O-CD 3.29Å; W165-R196 WeakPolarHBondContact O-CG 3.4Å; W165-R196 PolarHBondContact O-NE 2.88Å; W165-L212 HydrophobicContact CH2-CD2 3.55Å; W165-L212 HydrophobicContact CZ2-CD2 3.82Å
166	L	98.3	Very high	98.2	Very high	67 Å²	67	52.1 Å²	52.1	35%	0.351	27%	0.265	S	S	.	.	S	Bend	trans	-76.8	61.5	-171	-67.6	172	0	0	0	113.2	K162 A192 E195 L199	K162-L166 HydrophobicContact CG-CD1 3.89Å; K162-L166 HydrophobicContact CG-CG 4.44Å; K162-L166 WeakPolarHBondContact O-CG 3.43Å; K162-L166 PolarHBondContact O-N 3.22Å; L166-A192 HydrophobicContact CD2-CB 4.36Å; L166-E195 HydrophobicContact CD2-CB 4.19Å; L166-E195 HydrophobicContact CD2-CG 3.74Å; L166-L199 VanDerWaalsContact C-CD1 3.5Å; L166-L199 HydrophobicContact CB-CD1 4.42Å
167	T	98.4	Very high	98.2	Very high	34 Å²	34	51.9 Å²	51.9	21%	0.209	26%	0.264	C	S	.	.			trans	-147	145.9	175.8	178.4	0	0	0	0	110.8	W165 K169 Q171	W165-T167 PolarHBondContact O-N 3.42Å; T167-K169 VanDerWaalsContact C-N 3.28Å; T167-K169 PolarHBondContact OG1-N 3.07Å; T167-Q171 HydrophobicContact CG2-CG 3.99Å
168	G	97.7	Very high	98.2	Very high	8 Å²	8	51.9 Å²	51.9	8%	0.082	26%	0.264	C	S	.	.	S	Bend	trans	-80.6	-6.6	173.8	0	0	0	0	0	114.4	L199 A200 N205	G168-L199 VanDerWaalsContact CA-C 3.46Å; G168-L199 WeakPolarHBondContact CA-O 3.37Å; G168-A200 VanDerWaalsContact CA-CA 3.49Å; G168-N205 WeakPolarHBondContact O-CB 3.47Å; G168-N205 PolarHBondContact O-ND2 2.89Å; G168-N205 VanDerWaalsContact O-ND2 3.07Å
169	K	97.2	Very high	98.2	Very high	153 Å²	153	51 Å²	51	67%	0.665	26%	0.26	S	S	*	.	S	Bend	trans	-80.4	143.4	175.9	-62	-167.8	177	80.5	0	110.4	T167 Q171	T167-K169 VanDerWaalsContact C-N 3.28Å; T167-K169 PolarHBondContact OG1-N 3.07Å; K169-Q171 PolarHBondContact O-N 2.02Å
170	S	97.9	Very high	98.2	Very high	79 Å²	79	48.7 Å²	48.7	55%	0.552	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-63.6	126.9	167	-58.8	0	0	0	0	109	N205	S170-N205 PolarHBondContact N-ND2 3.41Å; S170-N205 PolarHBondContact OG-ND2 3.39Å
171	Q	97.9	Very high	98.3	Very high	45 Å²	45	49.9 Å²	49.9	21%	0.21	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-86.9	164.3	-179.6	-69	-70.8	58.4	0	0	110.6	L164 T167 K169 C175 F179	L164-Q171 PolarHBondContact O-NE2 3.1Å; T167-Q171 HydrophobicContact CG2-CG 3.99Å; K169-Q171 PolarHBondContact O-N 2.02Å; Q171-C175 HydrophobicContact CB-CB 4.23Å; Q171-F179 HydrophobicContact CB-CE2 4.34Å; Q171-F179 HydrophobicContact CG-CE2 4.4Å; Q171-F179 HydrophobicContact CG-CZ 4.4Å
172	P	98	Very high	98.3	Very high	38 Å²	38	50.1 Å²	50.1	25%	0.247	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-55.4	145.5	172.3	-24.9	35.2	0	0	0	111.6	T138 E139 A174 C175	T138-P172 HydrophobicContact CG2-CG 4.2Å; E139-P172 HydrophobicContact CB-CB 3.96Å; E139-P172 HydrophobicContact CB-CG 3.97Å; E139-P172 HydrophobicContact CG-CB 4.02Å; P172-A174 PolarHBondContact O-N 3.37Å; P172-C175 WeakPolarHBondContact O-CB 3.44Å; P172-C175 PolarHBondContact O-N 3.16Å
173	N	97.9	Very high	98.2	Very high	131 Å²	131	50 Å²	50	70%	0.701	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-27	178.4	178.2	-107.1	0	0	0	112.8	C175 D176	N173-C175 PolarHBondContact O-N 3.29Å; N173-C175 VanDerWaalsContact O-N 3.08Å; N173-D176 PolarHBondContact ND2-OD2 2.93Å; N173-D176 WeakPolarHBondContact O-CB 3.38Å; N173-D176 PolarHBondContact O-N 3.38Å
174	A	98.1	Very high	98.2	Very high	12 Å²	12	49 Å²	49	10%	0.099	27%	0.274	C	S	.	.	H	α-helix	trans	-55.3	-25.6	172.9	0	0	0	0	0	114.2	E139 C142 P172 K177	E139-A174 HydrophobicContact CG-CB 3.81Å; C142-A174 HydrophobicContact CB-CB 4.02Å; P172-A174 PolarHBondContact O-N 3.37Å; A174-K177 WeakPolarHBondContact O-CG 3.42Å; A174-K177 PolarHBondContact O-NZ 3.46Å
175	C	98.5	Very high	98.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-79.9	-18.6	176.6	-96.3	0	0	0	0	113.6	C142 Q171 P172 N173 K177 L178 F179	C142-C175 HydrophobicContact CB-CB 3.85Å; C142-C175 WeakPolarHBondContact CB-SG 3.36Å; C142-C175 VanDerWaalsContact SG-CA 3.57Å; C142-C175 WeakPolarHBondContact SG-CB 3.28Å; C142-C175 CovalentContact SG-SG 2.02Å; C142-C175 PolarHBondContact SG-SG 2.96Å; Q171-C175 HydrophobicContact CB-CB 4.23Å; P172-C175 WeakPolarHBondContact O-CB 3.44Å; P172-C175 PolarHBondContact O-N 3.16Å; N173-C175 PolarHBondContact O-N 3.29Å; N173-C175 VanDerWaalsContact O-N 3.08Å; C175-K177 VanDerWaalsContact C-N 3.33Å; C175-K177 PolarHBondContact O-N 3.1Å; C175-L178 WeakPolarHBondContact O-CB 3.41Å; C175-L178 PolarHBondContact O-N 3.24Å; C175-L178 VanDerWaalsContact O-N 3.1Å; C175-F179 HydrophobicContact CB-CD2 4.08Å; C175-F179 HydrophobicContact CB-CE1 4.45Å; C175-F179 HydrophobicContact CB-CE2 3.58Å; C175-F179 HydrophobicContact CB-CZ 3.79Å; C175-F179 WeakPolarHBondContact O-CD2 3.16Å; C175-F179 VanDerWaalsContact O-CG 3.29Å; C175-F179 WeakPolarHBondContact O-CG 3.44Å; C175-F179 PolarHBondContact O-N 2.93Å
176	D	98.1	Very high	98	Very high	84 Å²	84	53 Å²	53	45%	0.449	32%	0.315	S	S	.	.	H	α-helix	trans	-62.4	-42.7	-175	-63.9	-24.9	0	0	0	111.2	N173 L178 F179 S180	N173-D176 PolarHBondContact ND2-OD2 2.93Å; N173-D176 WeakPolarHBondContact O-CB 3.38Å; N173-D176 PolarHBondContact O-N 3.38Å; D176-L178 PolarHBondContact O-N 2.78Å; D176-F179 PolarHBondContact O-N 3.3Å; D176-S180 VanDerWaalsContact O-CB 3.31Å; D176-S180 WeakPolarHBondContact O-CB 3.31Å; D176-S180 PolarHBondContact O-N 2.99Å
177	K	98.1	Very high	98	Very high	64 Å²	64	56.5 Å²	56.5	28%	0.278	33%	0.327	S	S	.	.	H	α-helix	trans	-62.7	-39	174.2	63.4	-179.6	-174.1	-69.3	0	112.8	N143 Y146 A174 C175 S180 V181	N143-K177 PolarHBondContact OD1-NZ 2.89Å; Y146-K177 HydrophobicContact CD1-CD 3.83Å; Y146-K177 VanDerWaalsContact CD1-CE 3.41Å; Y146-K177 HydrophobicContact CD1-CG 4.41Å; Y146-K177 HydrophobicContact CD2-CB 4.34Å; Y146-K177 HydrophobicContact CD2-CD 4.13Å; Y146-K177 HydrophobicContact CD2-CG 3.83Å; Y146-K177 HydrophobicContact CE1-CD 3.68Å; Y146-K177 HydrophobicContact CE1-CG 4.4Å; Y146-K177 HydrophobicContact CE2-CB 3.9Å; Y146-K177 HydrophobicContact CE2-CD 4Å; Y146-K177 HydrophobicContact CE2-CG 3.82Å; Y146-K177 HydrophobicContact CG-CD 4.04Å; Y146-K177 HydrophobicContact CG-CG 4.12Å; A174-K177 WeakPolarHBondContact O-CG 3.42Å; A174-K177 PolarHBondContact O-NZ 3.46Å; C175-K177 VanDerWaalsContact C-N 3.33Å; C175-K177 PolarHBondContact O-N 3.1Å; K177-S180 PolarHBondContact O-N 3.42Å; K177-V181 WeakPolarHBondContact O-CG2 3.06Å; K177-V181 PolarHBondContact O-N 3.03Å
178	L	98.8	Very high	98	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.9	-47.3	177.2	175.4	63.5	0	0	0	111.1	Y146 W158 A161 L164 C175 D176 S180 V181 W182	Y146-L178 HydrophobicContact CD2-CB 4.36Å; W158-L178 HydrophobicContact CZ3-CD1 4.42Å; A161-L178 HydrophobicContact CB-CD1 4.19Å; A161-L178 HydrophobicContact CB-CD2 4.08Å; A161-L178 HydrophobicContact CB-CG 3.93Å; L164-L178 HydrophobicContact CD1-CD2 4.07Å; C175-L178 WeakPolarHBondContact O-CB 3.41Å; C175-L178 PolarHBondContact O-N 3.24Å; C175-L178 VanDerWaalsContact O-N 3.1Å; D176-L178 PolarHBondContact O-N 2.78Å; L178-S180 VanDerWaalsContact C-N 3.3Å; L178-S180 PolarHBondContact O-N 3.3Å; L178-V181 VanDerWaalsContact O-CG2 3.3Å; L178-V181 WeakPolarHBondContact O-CG2 3.43Å; L178-V181 PolarHBondContact O-N 3.34Å; L178-W182 WeakPolarHBondContact O-CB 3.43Å; L178-W182 PolarHBondContact O-N 3.16Å
179	F	98.7	Very high	97.9	Very high	11 Å²	11	58.7 Å²	58.7	5%	0.048	34%	0.335	C	S	.	.	H	α-helix	trans	-65.9	-35.4	178	-60.7	-31	0	0	0	112.2	A161 L164 W165 Q171 C175 D176 W182 R183	A161-F179 WeakPolarHBondContact O-CE1 3.33Å; L164-F179 HydrophobicContact CB-CE1 4.07Å; L164-F179 HydrophobicContact CB-CZ 4.1Å; W165-F179 HydrophobicContact CB-CD1 4.44Å; W165-F179 HydrophobicContact CB-CE1 3.9Å; W165-F179 HydrophobicContact CB-CZ 4.26Å; W165-F179 HydrophobicContact CE3-CB 3.91Å; W165-F179 AromaticContact CE3-CD1 3.64Å; W165-F179 HydrophobicContact CE3-CD1 3.64Å; W165-F179 AromaticContact CE3-CD2 3.63Å; W165-F179 HydrophobicContact CE3-CD2 3.63Å; W165-F179 AromaticContact CE3-CE1 3.98Å; W165-F179 HydrophobicContact CE3-CE1 3.98Å; W165-F179 AromaticContact CE3-CE2 3.95Å; W165-F179 HydrophobicContact CE3-CE2 3.95Å; W165-F179 AromaticContact CE3-CG 3.45Å; W165-F179 HydrophobicContact CE3-CG 3.45Å; W165-F179 VanDerWaalsContact CE3-CG 3.45Å; W165-F179 HydrophobicContact CE3-CZ 4.12Å; W165-F179 HydrophobicContact CZ3-CB 3.76Å; W165-F179 HydrophobicContact CZ3-CD1 4.37Å; W165-F179 AromaticContact CZ3-CD2 3.78Å; W165-F179 HydrophobicContact CZ3-CD2 3.78Å; W165-F179 HydrophobicContact CZ3-CE2 4.43Å; W165-F179 AromaticContact CZ3-CG 3.73Å; W165-F179 HydrophobicContact CZ3-CG 3.73Å; Q171-F179 HydrophobicContact CB-CE2 4.34Å; Q171-F179 HydrophobicContact CG-CE2 4.4Å; Q171-F179 HydrophobicContact CG-CZ 4.4Å; C175-F179 HydrophobicContact CB-CD2 4.08Å; C175-F179 HydrophobicContact CB-CE1 4.45Å; C175-F179 HydrophobicContact CB-CE2 3.58Å; C175-F179 HydrophobicContact CB-CZ 3.79Å; C175-F179 WeakPolarHBondContact O-CD2 3.16Å; C175-F179 VanDerWaalsContact O-CG 3.29Å; C175-F179 WeakPolarHBondContact O-CG 3.44Å; C175-F179 PolarHBondContact O-N 2.93Å; D176-F179 PolarHBondContact O-N 3.3Å; F179-W182 HydrophobicContact CD1-CE3 4.4Å; F179-R183 WeakPolarHBondContact O-CB 3.32Å; F179-R183 PolarHBondContact O-N 3.46Å
180	S	98.3	Very high	97.9	Very high	77 Å²	77	53.3 Å²	53.3	54%	0.538	32%	0.315	S	S	.	.	H	α-helix	trans	-61	-53.2	175	-175.2	0	0	0	0	111.7	D176 K177 L178 W182 R183 A184	D176-S180 VanDerWaalsContact O-CB 3.31Å; D176-S180 WeakPolarHBondContact O-CB 3.31Å; D176-S180 PolarHBondContact O-N 2.99Å; K177-S180 PolarHBondContact O-N 3.42Å; L178-S180 VanDerWaalsContact C-N 3.3Å; L178-S180 PolarHBondContact O-N 3.3Å; S180-W182 VanDerWaalsContact C-N 3.33Å; S180-W182 PolarHBondContact O-N 2.92Å; S180-R183 PolarHBondContact O-N 2.91Å; S180-A184 WeakPolarHBondContact O-CB 3.45Å; S180-A184 PolarHBondContact O-N 3.19Å
181	V	98.6	Very high	97.8	Very high	24 Å²	24	54.6 Å²	54.6	15%	0.145	32%	0.315	C	S	.	.	H	α-helix	trans	-67.6	-33.4	179.6	-61.3	0	0	0	0	112.4	Y146 W149 W158 K177 L178 A184 S185	Y146-V181 HydrophobicContact CD2-CG2 4.11Å; Y146-V181 HydrophobicContact CE2-CG1 4.03Å; Y146-V181 HydrophobicContact CE2-CG2 3.97Å; W149-V181 HydrophobicContact CD2-CB 4.2Å; W149-V181 HydrophobicContact CD2-CG1 4.41Å; W149-V181 HydrophobicContact CD2-CG2 3.89Å; W149-V181 HydrophobicContact CE3-CG1 4.3Å; W149-V181 HydrophobicContact CE3-CG2 4.14Å; W149-V181 HydrophobicContact CG-CG2 4.18Å; W149-V181 HydrophobicContact CH2-CB 4.43Å; W149-V181 HydrophobicContact CH2-CG1 3.74Å; W149-V181 HydrophobicContact CZ2-CB 4.08Å; W149-V181 HydrophobicContact CZ2-CG1 3.83Å; W149-V181 HydrophobicContact CZ3-CG1 3.99Å; W158-V181 HydrophobicContact CH2-CB 4.21Å; W158-V181 HydrophobicContact CH2-CG2 3.83Å; W158-V181 HydrophobicContact CZ3-CG2 3.92Å; K177-V181 WeakPolarHBondContact O-CG2 3.06Å; K177-V181 PolarHBondContact O-N 3.03Å; L178-V181 VanDerWaalsContact O-CG2 3.3Å; L178-V181 WeakPolarHBondContact O-CG2 3.43Å; L178-V181 PolarHBondContact O-N 3.34Å; V181-A184 PolarHBondContact O-N 2.97Å; V181-S185 PolarHBondContact O-N 3.39Å
182	W	98.7	Very high	97.8	Very high	6 Å²	6	52.7 Å²	52.7	2%	0.023	31%	0.307	C	S	.	.	H	α-helix	trans	-62.1	-46.1	173.8	178.4	36	0	0	0	111.5	W158 A161 K162 W165 L178 F179 S180 S185 K187 Q188	W158-W182 HydrophobicContact CD2-CB 4.35Å; W158-W182 AromaticContact CD2-CD1 3.47Å; W158-W182 VanDerWaalsContact CD2-CD1 3.47Å; W158-W182 HydrophobicContact CD2-CG 4.18Å; W158-W182 HydrophobicContact CE3-CB 3.5Å; W158-W182 VanDerWaalsContact CE3-CB 3.5Å; W158-W182 AromaticContact CE3-CD1 3.44Å; W158-W182 VanDerWaalsContact CE3-CD1 3.44Å; W158-W182 AromaticContact CE3-CG 3.68Å; W158-W182 HydrophobicContact CE3-CG 3.68Å; W158-W182 AromaticContact CG-CD1 3.66Å; W158-W182 HydrophobicContact CH2-CB 4.3Å; W158-W182 HydrophobicContact CZ3-CB 3.49Å; W158-W182 VanDerWaalsContact CZ3-CB 3.49Å; W158-W182 HydrophobicContact CZ3-CG 4.19Å; A161-W182 HydrophobicContact CB-CB 4.16Å; A161-W182 HydrophobicContact CB-CD2 3.87Å; A161-W182 HydrophobicContact CB-CE3 3.9Å; A161-W182 HydrophobicContact CB-CG 3.99Å; K162-W182 HydrophobicContact CB-CH2 3.91Å; K162-W182 HydrophobicContact CB-CZ2 3.94Å; K162-W182 HydrophobicContact CG-CH2 4.16Å; K162-W182 HydrophobicContact CG-CZ2 4.34Å; W165-W182 HydrophobicContact CB-CH2 4.31Å; W165-W182 HydrophobicContact CB-CZ3 3.67Å; W165-W182 AromaticContact CD2-CZ3 3.91Å; W165-W182 HydrophobicContact CD2-CZ3 3.91Å; W165-W182 HydrophobicContact CE3-CZ3 4.29Å; W165-W182 HydrophobicContact CG-CH2 4.27Å; W165-W182 AromaticContact CG-CZ3 3.63Å; W165-W182 HydrophobicContact CG-CZ3 3.63Å; L178-W182 WeakPolarHBondContact O-CB 3.43Å; L178-W182 PolarHBondContact O-N 3.16Å; F179-W182 HydrophobicContact CD1-CE3 4.4Å; S180-W182 VanDerWaalsContact C-N 3.33Å; S180-W182 PolarHBondContact O-N 2.92Å; W182-S185 PolarHBondContact O-N 3.35Å; W182-S185 PolarHBondContact O-OG 3Å; W182-K187 PolarHBondContact NE1-O 2.78Å; W182-Q188 HydrophobicContact CD2-CB 3.98Å; W182-Q188 HydrophobicContact CD2-CG 4.19Å; W182-Q188 HydrophobicContact CE3-CB 4.41Å; W182-Q188 HydrophobicContact CE3-CG 4.14Å; W182-Q188 HydrophobicContact CG-CB 4.37Å; W182-Q188 HydrophobicContact CH2-CB 4.48Å; W182-Q188 HydrophobicContact CH2-CG 3.87Å; W182-Q188 HydrophobicContact CZ2-CB 4.06Å; W182-Q188 HydrophobicContact CZ2-CG 3.91Å; W182-Q188 HydrophobicContact CZ3-CG 3.98Å
183	R	97.9	Very high	97.8	Very high	88 Å²	88	51 Å²	51	33%	0.332	30%	0.296	S	S	.	.	H	α-helix	trans	-63.8	-46.5	175.2	-175.5	176.5	178.5	172.3	6.1	111.8	F179 S180 S185 G186 Q215	F179-R183 WeakPolarHBondContact O-CB 3.32Å; F179-R183 PolarHBondContact O-N 3.46Å; S180-R183 PolarHBondContact O-N 2.91Å; R183-S185 PolarHBondContact O-N 3.33Å; R183-G186 PolarHBondContact O-N 2.95Å; R183-Q215 VanDerWaalsContact CZ-O 3.22Å; R183-Q215 PolarHBondContact NH1-O 2.78Å; R183-Q215 PolarHBondContact NH2-O 3.27Å
184	A	97.8	Very high	97.8	Very high	89 Å²	89	45.5 Å²	45.5	74%	0.736	27%	0.267	S	S	*	.	H	α-helix	trans	-61.4	-26.4	-179.6	0	0	0	0	0	113.2	S180 V181 G186	S180-A184 WeakPolarHBondContact O-CB 3.45Å; S180-A184 PolarHBondContact O-N 3.19Å; V181-A184 PolarHBondContact O-N 2.97Å; A184-G186 PolarHBondContact O-N 3.34Å
185	S	97.7	Very high	97.8	Very high	39 Å²	39	47.8 Å²	47.8	27%	0.273	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-11.1	176	79.2	0	0	0	0	114.8	V181 W182 R183 K187	V181-S185 PolarHBondContact O-N 3.39Å; W182-S185 PolarHBondContact O-N 3.35Å; W182-S185 PolarHBondContact O-OG 3Å; R183-S185 PolarHBondContact O-N 3.33Å; S185-K187 PolarHBondContact O-N 2.97Å; S185-K187 PolarHBondContact O-NZ 2.81Å; S185-K187 WeakPolarHBondContact OG-CB 3.19Å; S185-K187 WeakPolarHBondContact OG-CG 3.49Å; S185-K187 PolarHBondContact OG-N 3.38Å
186	G	96.6	Very high	97.8	Very high	65 Å²	65	48.3 Å²	48.3	67%	0.67	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	10.6	-172.4	0	0	0	0	0	114.1	R183 A184	R183-G186 PolarHBondContact O-N 2.95Å; A184-G186 PolarHBondContact O-N 3.34Å
187	K	97.3	Very high	97.8	Very high	139 Å²	139	44.3 Å²	44.3	60%	0.604	26%	0.256	S	S	*	.			trans	-96.2	-0.4	178.7	-55.6	-66.2	172.1	-76.5	0	113.4	W158 W182 S185 D189	W158-K187 HydrophobicContact CG-CB 4.42Å; W182-K187 PolarHBondContact NE1-O 2.78Å; S185-K187 PolarHBondContact O-N 2.97Å; S185-K187 PolarHBondContact O-NZ 2.81Å; S185-K187 WeakPolarHBondContact OG-CB 3.19Å; S185-K187 WeakPolarHBondContact OG-CG 3.49Å; S185-K187 PolarHBondContact OG-N 3.38Å; K187-D189 PolarHBondContact O-N 2.87Å
188	Q	98.2	Very high	97.8	Very high	20 Å²	20	43.2 Å²	43.2	9%	0.093	25%	0.25	C	S	.	.	S	Bend	trans	-79.5	111	172.1	-178.6	173.6	68.9	0	0	109.4	W182 P190	W182-Q188 HydrophobicContact CD2-CB 3.98Å; W182-Q188 HydrophobicContact CD2-CG 4.19Å; W182-Q188 HydrophobicContact CE3-CB 4.41Å; W182-Q188 HydrophobicContact CE3-CG 4.14Å; W182-Q188 HydrophobicContact CG-CB 4.37Å; W182-Q188 HydrophobicContact CH2-CB 4.48Å; W182-Q188 HydrophobicContact CH2-CG 3.87Å; W182-Q188 HydrophobicContact CZ2-CB 4.06Å; W182-Q188 HydrophobicContact CZ2-CG 3.91Å; W182-Q188 HydrophobicContact CZ3-CG 3.98Å; Q188-P190 WeakPolarHBondContact O-CD 3.4Å
189	D	96.4	Very high	97.8	Very high	69 Å²	69	45 Å²	45	37%	0.369	26%	0.26	S	S	.	.			trans	-58.4	122.2	172.5	178.7	-1	0	0	0	110.3	K187 L191 A192 Y193	K187-D189 PolarHBondContact O-N 2.87Å; D189-L191 PolarHBondContact O-N 3.19Å; D189-L191 WeakPolarHBondContact OD1-CB 3.46Å; D189-L191 PolarHBondContact OD1-N 2.73Å; D189-A192 HydrophobicContact CB-CB 4.14Å; D189-A192 WeakPolarHBondContact O-CB 3.26Å; D189-A192 PolarHBondContact O-N 3.35Å; D189-Y193 PolarHBondContact O-N 2.97Å
190	P	96.5	Very high	97.8	Very high	39 Å²	39	44.5 Å²	44.5	25%	0.253	26%	0.257	S	S	.	.	H	α-helix	trans	-54.4	-33.7	176	-25.5	34.4	0	0	0	113.1	Q188 A192 Y193 L194 D219 Y220	Q188-P190 WeakPolarHBondContact O-CD 3.4Å; P190-A192 VanDerWaalsContact C-N 3.31Å; P190-A192 PolarHBondContact O-N 2.83Å; P190-Y193 VanDerWaalsContact O-CB 3.27Å; P190-Y193 WeakPolarHBondContact O-CB 3.5Å; P190-Y193 PolarHBondContact O-N 3.47Å; P190-Y193 VanDerWaalsContact O-N 3.11Å; P190-L194 PolarHBondContact O-N 3.39Å; P190-D219 HydrophobicContact CB-CB 4.38Å; P190-Y220 HydrophobicContact CB-CE2 3.75Å; P190-Y220 WeakPolarHBondContact O-CE2 3.31Å
191	L	96.7	Very high	97.8	Very high	106 Å²	106	41.1 Å²	41.1	56%	0.555	23%	0.233	S	C	*	.	H	α-helix	trans	-65.3	-35.4	176.2	-70.1	171.2	0	0	0	111.8	D189 Y193 L194 E195 Y220	D189-L191 PolarHBondContact O-N 3.19Å; D189-L191 WeakPolarHBondContact OD1-CB 3.46Å; D189-L191 PolarHBondContact OD1-N 2.73Å; L191-Y193 VanDerWaalsContact C-N 3.28Å; L191-Y193 PolarHBondContact O-N 2.9Å; L191-L194 PolarHBondContact O-N 3.43Å; L191-E195 VanDerWaalsContact O-CB 3.24Å; L191-E195 WeakPolarHBondContact O-CB 3.35Å; L191-E195 PolarHBondContact O-N 3.39Å; L191-Y220 VanDerWaalsContact CD2-OH 3.26Å; L191-Y220 WeakPolarHBondContact CD2-OH 3.11Å
192	A	97.7	Very high	97.7	Very high	5 Å²	5	45.1 Å²	45.1	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-67.5	-30.7	174.2	0	0	0	0	0	112	W165 L166 D189 P190 R196	W165-A192 PolarHBondContact NE1-O 3.41Å; L166-A192 HydrophobicContact CD2-CB 4.36Å; D189-A192 HydrophobicContact CB-CB 4.14Å; D189-A192 WeakPolarHBondContact O-CB 3.26Å; D189-A192 PolarHBondContact O-N 3.35Å; P190-A192 VanDerWaalsContact C-N 3.31Å; P190-A192 PolarHBondContact O-N 2.83Å; A192-R196 PolarHBondContact O-N 3.22Å
193	Y	98.3	Very high	97.5	Very high	2 Å²	2	48 Å²	48	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-64.8	-51	172.7	-162.5	-79.4	0	0	0	110.8	W165 D189 P190 L191 E195 R196 I197 L212 Q215 M216 P217	W165-Y193 HydrophobicContact CH2-CD2 4.02Å; W165-Y193 AromaticContact CH2-CE2 3.78Å; W165-Y193 HydrophobicContact CH2-CE2 3.78Å; W165-Y193 AromaticContact CZ2-CD2 3.57Å; W165-Y193 HydrophobicContact CZ2-CD2 3.57Å; W165-Y193 AromaticContact CZ2-CE2 3.76Å; W165-Y193 HydrophobicContact CZ2-CE2 3.76Å; W165-Y193 HydrophobicContact CZ2-CG 4.12Å; D189-Y193 PolarHBondContact O-N 2.97Å; P190-Y193 VanDerWaalsContact O-CB 3.27Å; P190-Y193 WeakPolarHBondContact O-CB 3.5Å; P190-Y193 PolarHBondContact O-N 3.47Å; P190-Y193 VanDerWaalsContact O-N 3.11Å; L191-Y193 VanDerWaalsContact C-N 3.28Å; L191-Y193 PolarHBondContact O-N 2.9Å; Y193-E195 VanDerWaalsContact C-N 3.31Å; Y193-E195 PolarHBondContact O-N 2.91Å; Y193-R196 PolarHBondContact O-N 3.1Å; Y193-I197 HydrophobicContact CD1-CD1 4.23Å; Y193-I197 HydrophobicContact CE1-CD1 4.11Å; Y193-I197 PolarHBondContact O-N 2.9Å; Y193-L212 HydrophobicContact CE1-CB 4.06Å; Y193-L212 HydrophobicContact CE1-CD2 4.37Å; Y193-L212 WeakPolarHBondContact CE1-O 3.49Å; Y193-L212 HydrophobicContact CE2-CD2 4.41Å; Y193-L212 WeakPolarHBondContact OH-CA 3.37Å; Y193-L212 PolarHBondContact OH-O 3.11Å; Y193-Q215 PolarHBondContact OH-O 3.05Å; Y193-M216 HydrophobicContact CD1-SD 4.09Å; Y193-M216 HydrophobicContact CE1-SD 4.07Å; Y193-P217 VanDerWaalsContact CD1-CD 3.48Å; Y193-P217 HydrophobicContact CD1-CG 4.03Å; Y193-P217 HydrophobicContact CD2-CG 4.03Å; Y193-P217 HydrophobicContact CE1-CG 4.49Å; Y193-P217 HydrophobicContact CE2-CG 4.49Å; Y193-P217 HydrophobicContact CG-CG 3.79Å
194	L	97.4	Very high	97.4	Very high	16 Å²	16	46.4 Å²	46.4	8%	0.084	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-38.8	179.4	-164.9	67.4	0	0	0	111.7	P190 L191 R196 I197 R198 Y220 F249	P190-L194 PolarHBondContact O-N 3.39Å; L191-L194 PolarHBondContact O-N 3.43Å; L194-R196 VanDerWaalsContact C-N 3.31Å; L194-R196 PolarHBondContact O-N 3.2Å; L194-I197 WeakPolarHBondContact O-CB 3.45Å; L194-I197 PolarHBondContact O-N 2.85Å; L194-I197 VanDerWaalsContact O-N 3.13Å; L194-R198 PolarHBondContact O-N 3.46Å; L194-R198 VanDerWaalsContact O-N 3.08Å; L194-Y220 HydrophobicContact CB-CD2 4.28Å; L194-Y220 HydrophobicContact CB-CE2 4.02Å; L194-Y220 HydrophobicContact CD1-CD2 4.2Å; L194-Y220 HydrophobicContact CD1-CG 4.17Å; L194-Y220 HydrophobicContact CD2-CD1 4.16Å; L194-Y220 HydrophobicContact CD2-CD2 4.47Å; L194-Y220 HydrophobicContact CD2-CE1 3.93Å; L194-Y220 HydrophobicContact CD2-CE2 4.24Å; L194-Y220 HydrophobicContact CD2-CG 4.43Å; L194-F249 HydrophobicContact CD1-CD1 4.1Å; L194-F249 HydrophobicContact CD1-CD2 4.12Å; L194-F249 HydrophobicContact CD1-CE1 3.65Å; L194-F249 HydrophobicContact CD1-CE2 3.65Å; L194-F249 HydrophobicContact CD1-CG 4.32Å; L194-F249 HydrophobicContact CD1-CZ 3.39Å; L194-F249 HydrophobicContact CD2-CB 4.25Å; L194-F249 HydrophobicContact CD2-CD1 4.09Å; L194-F249 HydrophobicContact CD2-CD2 3.94Å; L194-F249 HydrophobicContact CD2-CE1 4.48Å; L194-F249 HydrophobicContact CD2-CE2 4.33Å; L194-F249 HydrophobicContact CD2-CG 3.81Å; L194-F249 HydrophobicContact CG-CD1 4.22Å; L194-F249 HydrophobicContact CG-CD2 3.6Å; L194-F249 HydrophobicContact CG-CE1 4.18Å; L194-F249 HydrophobicContact CG-CE2 3.54Å; L194-F249 HydrophobicContact CG-CG 3.95Å; L194-F249 HydrophobicContact CG-CZ 3.85Å; L194-F249 WeakPolarHBondContact O-CE2 3.47Å
195	E	98	Very high	97.5	Very high	61 Å²	61	44 Å²	44	29%	0.285	26%	0.26	S	S	.	.	H	α-helix	trans	-60.8	-38.5	176.1	175	55.4	-164.8	0	0	112.3	L166 L191 Y193 I197 R198 L199	L166-E195 HydrophobicContact CD2-CB 4.19Å; L166-E195 HydrophobicContact CD2-CG 3.74Å; L191-E195 VanDerWaalsContact O-CB 3.24Å; L191-E195 WeakPolarHBondContact O-CB 3.35Å; L191-E195 PolarHBondContact O-N 3.39Å; Y193-E195 VanDerWaalsContact C-N 3.31Å; Y193-E195 PolarHBondContact O-N 2.91Å; E195-I197 VanDerWaalsContact C-N 3.31Å; E195-I197 PolarHBondContact O-N 3.22Å; E195-R198 WeakPolarHBondContact O-CB 3.32Å; E195-R198 PolarHBondContact O-N 2.97Å; E195-R198 IonicContact OE1-CZ 2.65Å; E195-R198 IonicContact OE1-NE 3.21Å; E195-R198 PolarHBondContact OE1-NE 3.41Å; E195-R198 IonicContact OE1-NH2 3.43Å; E195-R198 PolarHBondContact OE1-NH2 3.37Å; E195-R198 IonicContact OE2-CZ 3.28Å; E195-R198 IonicContact OE2-NE 2.9Å; E195-R198 PolarHBondContact OE2-NE 2.91Å; E195-R198 IonicContact OE2-NH2 3.45Å; E195-L199 HydrophobicContact CG-CD1 4.17Å; E195-L199 HydrophobicContact CG-CG 4.49Å; E195-L199 WeakPolarHBondContact O-CG 3.45Å; E195-L199 PolarHBondContact O-N 2.76Å; E195-L199 WeakPolarHBondContact OE1-CG 3.47Å
196	R	98.6	Very high	97.4	Very high	11 Å²	11	45.2 Å²	45.2	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-65.8	-35.2	175.7	-169.3	178.4	-169	-169.6	3.5	112.4	W165 A192 Y193 L194 R198 L199 A200 L212	W165-R196 VanDerWaalsContact CD2-CD 3.44Å; W165-R196 HydrophobicContact CZ2-CB 4.2Å; W165-R196 HydrophobicContact CZ2-CG 4.47Å; W165-R196 VanDerWaalsContact NE1-CB 3.31Å; W165-R196 WeakPolarHBondContact O-CD 3.29Å; W165-R196 WeakPolarHBondContact O-CG 3.4Å; W165-R196 PolarHBondContact O-NE 2.88Å; A192-R196 PolarHBondContact O-N 3.22Å; Y193-R196 PolarHBondContact O-N 3.1Å; L194-R196 VanDerWaalsContact C-N 3.31Å; L194-R196 PolarHBondContact O-N 3.2Å; R196-R198 VanDerWaalsContact C-N 3.34Å; R196-L199 PolarHBondContact O-N 3.2Å; R196-A200 VanDerWaalsContact O-CB 3.3Å; R196-A200 WeakPolarHBondContact O-CB 3.37Å; R196-A200 PolarHBondContact O-N 2.84Å; R196-L212 HydrophobicContact CB-CD1 4.2Å; R196-L212 HydrophobicContact CG-CD1 3.83Å
197	I	98.6	Very high	97.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-46.9	172.2	-66.7	178.7	0	0	0	110.1	Y193 L194 E195 L199 A200 M201 V209 L212 M216 I227 F249 M253	Y193-I197 HydrophobicContact CD1-CD1 4.23Å; Y193-I197 HydrophobicContact CE1-CD1 4.11Å; Y193-I197 PolarHBondContact O-N 2.9Å; L194-I197 WeakPolarHBondContact O-CB 3.45Å; L194-I197 PolarHBondContact O-N 2.85Å; L194-I197 VanDerWaalsContact O-N 3.13Å; E195-I197 VanDerWaalsContact C-N 3.31Å; E195-I197 PolarHBondContact O-N 3.22Å; I197-L199 PolarHBondContact O-N 3.02Å; I197-A200 PolarHBondContact O-N 3.47Å; I197-M201 PolarHBondContact O-N 3.24Å; I197-V209 HydrophobicContact CG2-CG1 4.12Å; I197-L212 HydrophobicContact CD1-CB 3.97Å; I197-L212 HydrophobicContact CG1-CB 3.59Å; I197-L212 HydrophobicContact CG1-CD1 3.85Å; I197-L212 HydrophobicContact CG1-CG 4.37Å; I197-M216 HydrophobicContact CD1-CE 3.5Å; I197-M216 HydrophobicContact CD1-SD 3.74Å; I197-I227 HydrophobicContact CG2-CG2 4.03Å; I197-F249 HydrophobicContact CB-CE2 4.41Å; I197-F249 HydrophobicContact CB-CZ 4.42Å; I197-F249 HydrophobicContact CG2-CE2 4.28Å; I197-F249 HydrophobicContact CG2-CZ 3.94Å; I197-M253 HydrophobicContact CG2-CE 3.91Å; I197-M253 HydrophobicContact CG2-SD 4.26Å
198	R	98.1	Very high	97.5	Very high	40 Å²	40	38.5 Å²	38.5	15%	0.151	23%	0.231	C	C	.	.	H	α-helix	trans	-58.2	-47.1	177	-169.1	-164.7	69.9	91.8	2.6	111.6	L194 E195 R196 M201 K202 F249 Q252	L194-R198 PolarHBondContact O-N 3.46Å; L194-R198 VanDerWaalsContact O-N 3.08Å; E195-R198 WeakPolarHBondContact O-CB 3.32Å; E195-R198 PolarHBondContact O-N 2.97Å; E195-R198 IonicContact OE1-CZ 2.65Å; E195-R198 IonicContact OE1-NE 3.21Å; E195-R198 PolarHBondContact OE1-NE 3.41Å; E195-R198 IonicContact OE1-NH2 3.43Å; E195-R198 PolarHBondContact OE1-NH2 3.37Å; E195-R198 IonicContact OE2-CZ 3.28Å; E195-R198 IonicContact OE2-NE 2.9Å; E195-R198 PolarHBondContact OE2-NE 2.91Å; E195-R198 IonicContact OE2-NH2 3.45Å; R196-R198 VanDerWaalsContact C-N 3.34Å; R198-M201 PolarHBondContact O-N 2.97Å; R198-K202 HydrophobicContact CG-CD 4.32Å; R198-K202 WeakPolarHBondContact O-CG 3.37Å; R198-K202 PolarHBondContact O-N 3.47Å; R198-F249 HydrophobicContact CB-CD2 4.09Å; R198-F249 HydrophobicContact CB-CE2 3.95Å; R198-Q252 HydrophobicContact CG-CB 4.38Å
199	L	98.4	Very high	97.5	Very high	38 Å²	38	37.6 Å²	37.6	20%	0.199	23%	0.226	C	C	.	.	H	α-helix	trans	-63.4	-42.7	178.4	-68.5	171.3	0	0	0	112.1	L166 G168 E195 R196 I197 K202 A203	L166-L199 VanDerWaalsContact C-CD1 3.5Å; L166-L199 HydrophobicContact CB-CD1 4.42Å; G168-L199 VanDerWaalsContact CA-C 3.46Å; G168-L199 WeakPolarHBondContact CA-O 3.37Å; E195-L199 HydrophobicContact CG-CD1 4.17Å; E195-L199 HydrophobicContact CG-CG 4.49Å; E195-L199 WeakPolarHBondContact O-CG 3.45Å; E195-L199 PolarHBondContact O-N 2.76Å; E195-L199 WeakPolarHBondContact OE1-CG 3.47Å; R196-L199 PolarHBondContact O-N 3.2Å; I197-L199 PolarHBondContact O-N 3.02Å; L199-K202 PolarHBondContact O-N 3.23Å; L199-A203 WeakPolarHBondContact O-CB 3.4Å; L199-A203 PolarHBondContact O-N 2.66Å
200	A	98.4	Very high	97.6	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-43	177.4	0	0	0	0	0	111.6	G168 R196 I197 A203 G204 N205 L208 V209	G168-A200 VanDerWaalsContact CA-CA 3.49Å; R196-A200 VanDerWaalsContact O-CB 3.3Å; R196-A200 WeakPolarHBondContact O-CB 3.37Å; R196-A200 PolarHBondContact O-N 2.84Å; I197-A200 PolarHBondContact O-N 3.47Å; A200-A203 PolarHBondContact O-N 3.48Å; A200-G204 PolarHBondContact O-N 2.86Å; A200-N205 PolarHBondContact O-N 3.19Å; A200-L208 HydrophobicContact CB-CB 4.22Å; A200-L208 HydrophobicContact CB-CD2 3.86Å; A200-L208 HydrophobicContact CB-CG 4Å; A200-V209 HydrophobicContact CB-CG2 3.68Å
201	M	98	Very high	97.7	Very high	6 Å²	6	38 Å²	38	3%	0.03	23%	0.231	C	C	.	.	H	α-helix	trans	-60.8	-50.7	175.3	-169.1	67	175.3	0	0	111	I197 R198 A203 G204 V209 L230 M253 V256 A257	I197-M201 PolarHBondContact O-N 3.24Å; R198-M201 PolarHBondContact O-N 2.97Å; M201-A203 PolarHBondContact O-N 3.39Å; M201-G204 PolarHBondContact O-N 2.82Å; M201-V209 HydrophobicContact CB-CG2 3.95Å; M201-V209 HydrophobicContact SD-CG2 4.3Å; M201-L230 HydrophobicContact CE-CD2 4.16Å; M201-L230 HydrophobicContact CE-CG 4.15Å; M201-M253 HydrophobicContact CB-CE 3.69Å; M201-M253 HydrophobicContact CB-SD 3.48Å; M201-M253 WeakPolarHBondContact CB-SD 3.45Å; M201-M253 HydrophobicContact CG-CE 3.6Å; M201-M253 HydrophobicContact CG-SD 3.66Å; M201-M253 HydrophobicContact SD-CE 3.95Å; M201-V256 HydrophobicContact CE-CB 4.36Å; M201-V256 HydrophobicContact CE-CG1 4.19Å; M201-V256 HydrophobicContact CG-CB 3.93Å; M201-V256 HydrophobicContact CG-CG1 3.83Å; M201-V256 HydrophobicContact CG-CG2 4.43Å; M201-V256 WeakPolarHBondContact O-CG1 3.37Å; M201-A257 HydrophobicContact CE-CB 3.87Å
202	K	95.8	Very high	97.7	Very high	109 Å²	109	33.3 Å²	33.3	47%	0.474	21%	0.206	S	C	.	.	H	α-helix	trans	-60.2	-30.7	178	-71.6	174.5	75.4	80.5	0	113.4	R198 L199 G204 V256	R198-K202 HydrophobicContact CG-CD 4.32Å; R198-K202 WeakPolarHBondContact O-CG 3.37Å; R198-K202 PolarHBondContact O-N 3.47Å; L199-K202 PolarHBondContact O-N 3.23Å; K202-G204 VanDerWaalsContact C-N 3.26Å; K202-G204 PolarHBondContact O-N 3.3Å; K202-V256 HydrophobicContact CG-CG2 3.81Å
203	A	96.4	Very high	97.8	Very high	65 Å²	65	33.1 Å²	33.1	54%	0.537	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-4.5	175.5	0	0	0	0	0	113.7	L199 A200 M201 N205	L199-A203 WeakPolarHBondContact O-CB 3.4Å; L199-A203 PolarHBondContact O-N 2.66Å; A200-A203 PolarHBondContact O-N 3.48Å; M201-A203 PolarHBondContact O-N 3.39Å; A203-N205 VanDerWaalsContact C-N 3.28Å; A203-N205 PolarHBondContact O-N 3.49Å
204	G	95.9	Very high	97.7	Very high	56 Å²	56	35.7 Å²	35.7	58%	0.577	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.6	14.6	-174.7	0	0	0	0	0	114	A200 M201 K202 T206	A200-G204 PolarHBondContact O-N 2.86Å; M201-G204 PolarHBondContact O-N 2.82Å; K202-G204 VanDerWaalsContact C-N 3.26Å; K202-G204 PolarHBondContact O-N 3.3Å; G204-T206 VanDerWaalsContact C-N 3.33Å; G204-T206 PolarHBondContact O-N 3.23Å; G204-T206 VanDerWaalsContact O-N 3.14Å
205	N	97.8	Very high	97.7	Very high	39 Å²	39	40.4 Å²	40.4	21%	0.209	25%	0.254	C	S	.	.			trans	-89.3	67.1	-178.6	-167.9	-5	0	0	0	110.9	G168 S170 A200 A203 G207 L208 V209	G168-N205 WeakPolarHBondContact O-CB 3.47Å; G168-N205 PolarHBondContact O-ND2 2.89Å; G168-N205 VanDerWaalsContact O-ND2 3.07Å; S170-N205 PolarHBondContact N-ND2 3.41Å; S170-N205 PolarHBondContact OG-ND2 3.39Å; A200-N205 PolarHBondContact O-N 3.19Å; A203-N205 VanDerWaalsContact C-N 3.28Å; A203-N205 PolarHBondContact O-N 3.49Å; N205-G207 PolarHBondContact O-N 3.22Å; N205-L208 HydrophobicContact CB-CB 4.3Å; N205-L208 VanDerWaalsContact CG-CB 3.47Å; N205-L208 WeakPolarHBondContact ND2-CB 3.44Å; N205-L208 PolarHBondContact O-N 3Å; N205-L208 VanDerWaalsContact O-N 3.16Å; N205-L208 WeakPolarHBondContact OD1-CB 3.49Å; N205-L208 PolarHBondContact OD1-N 3.29Å; N205-V209 PolarHBondContact O-N 3.12Å; N205-V209 VanDerWaalsContact O-N 3.14Å
206	T	97.2	Very high	97.7	Very high	64 Å²	64	38 Å²	38	39%	0.393	24%	0.243	S	C	.	.	H	α-helix	trans	-63	-30	-176.5	53.5	0	0	0	0	112.9	G204 V209 T210 A231	G204-T206 VanDerWaalsContact C-N 3.33Å; G204-T206 PolarHBondContact O-N 3.23Å; G204-T206 VanDerWaalsContact O-N 3.14Å; T206-V209 WeakPolarHBondContact O-CB 3.36Å; T206-V209 PolarHBondContact O-N 3.45Å; T206-T210 PolarHBondContact O-N 3.03Å; T206-T210 PolarHBondContact O-OG1 2.74Å; T206-A231 WeakPolarHBondContact CB-O 3.43Å; T206-A231 HydrophobicContact CG2-CB 4.43Å; T206-A231 WeakPolarHBondContact CG2-O 3.4Å
207	G	97.4	Very high	97.6	Very high	43 Å²	43	38.3 Å²	38.3	44%	0.443	25%	0.246	S	C	.	.	H	α-helix	trans	-59.5	-46.6	172.6	0	0	0	0	0	112.4	N205 T210 V211	N205-G207 PolarHBondContact O-N 3.22Å; G207-T210 PolarHBondContact O-N 3.27Å; G207-V211 WeakPolarHBondContact O-CG2 3.26Å; G207-V211 PolarHBondContact O-N 3.43Å
208	L	97.8	Very high	97.5	Very high	20 Å²	20	42.6 Å²	42.6	11%	0.105	28%	0.281	C	S	.	.	H	α-helix	trans	-66.4	-38.8	175.8	179.3	60.1	0	0	0	112.2	A200 N205 T210 V211 L212	A200-L208 HydrophobicContact CB-CB 4.22Å; A200-L208 HydrophobicContact CB-CD2 3.86Å; A200-L208 HydrophobicContact CB-CG 4Å; N205-L208 HydrophobicContact CB-CB 4.3Å; N205-L208 VanDerWaalsContact CG-CB 3.47Å; N205-L208 WeakPolarHBondContact ND2-CB 3.44Å; N205-L208 PolarHBondContact O-N 3Å; N205-L208 VanDerWaalsContact O-N 3.16Å; N205-L208 WeakPolarHBondContact OD1-CB 3.49Å; N205-L208 PolarHBondContact OD1-N 3.29Å; L208-T210 VanDerWaalsContact C-N 3.31Å; L208-T210 PolarHBondContact O-N 3.45Å; L208-V211 PolarHBondContact O-N 2.85Å; L208-L212 HydrophobicContact CD1-CD1 4.03Å; L208-L212 HydrophobicContact CD1-CD2 4.45Å; L208-L212 HydrophobicContact CD1-CG 3.94Å; L208-L212 HydrophobicContact CG-CD1 3.92Å; L208-L212 HydrophobicContact CG-CG 4.29Å; L208-L212 WeakPolarHBondContact O-CB 3.39Å; L208-L212 WeakPolarHBondContact O-CG 3.47Å; L208-L212 PolarHBondContact O-N 3.06Å
209	V	98.5	Very high	97.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-55.8	-48.4	174.2	171.6	0	0	0	0	110.6	I197 A200 M201 N205 T206 L212 A213 I227 A231 M253	I197-V209 HydrophobicContact CG2-CG1 4.12Å; A200-V209 HydrophobicContact CB-CG2 3.68Å; M201-V209 HydrophobicContact CB-CG2 3.95Å; M201-V209 HydrophobicContact SD-CG2 4.3Å; N205-V209 PolarHBondContact O-N 3.12Å; N205-V209 VanDerWaalsContact O-N 3.14Å; T206-V209 WeakPolarHBondContact O-CB 3.36Å; T206-V209 PolarHBondContact O-N 3.45Å; V209-L212 PolarHBondContact O-N 3.45Å; V209-A213 WeakPolarHBondContact O-CB 3.32Å; V209-A213 PolarHBondContact O-N 2.65Å; V209-I227 HydrophobicContact CG1-CG2 3.49Å; V209-I227 VanDerWaalsContact CG1-CG2 3.49Å; V209-A231 HydrophobicContact CB-CB 4.05Å; V209-A231 HydrophobicContact CG1-CB 3.65Å; V209-M253 HydrophobicContact CG1-CE 4.27Å
210	T	98.3	Very high	97.3	Very high	37 Å²	37	46.1 Å²	46.1	23%	0.227	30%	0.3	C	S	.	.	H	α-helix	trans	-62.8	-43.2	178.7	-65.2	0	0	0	0	112.1	T206 G207 L208 A213 G214 I228	T206-T210 PolarHBondContact O-N 3.03Å; T206-T210 PolarHBondContact O-OG1 2.74Å; G207-T210 PolarHBondContact O-N 3.27Å; L208-T210 VanDerWaalsContact C-N 3.31Å; L208-T210 PolarHBondContact O-N 3.45Å; T210-A213 PolarHBondContact O-N 3.21Å; T210-G214 PolarHBondContact O-N 3.14Å; T210-I228 HydrophobicContact CG2-CG1 4.48Å; T210-I228 HydrophobicContact CG2-CG2 4.09Å
211	V	98	Very high	97.2	Very high	81 Å²	81	51.5 Å²	51.5	49%	0.491	33%	0.325	S	S	.	.	H	α-helix	trans	-61.8	-46.5	177.6	169.9	0	0	0	0	111.7	G207 L208 G214 Q215	G207-V211 WeakPolarHBondContact O-CG2 3.26Å; G207-V211 PolarHBondContact O-N 3.43Å; L208-V211 PolarHBondContact O-N 2.85Å; V211-G214 PolarHBondContact O-N 3.37Å; V211-Q215 PolarHBondContact O-N 2.92Å
212	L	98.3	Very high	97.2	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.031	36%	0.363	C	S	.	.	H	α-helix	trans	-66.3	-44.8	179.6	-68.3	173	0	0	0	111.4	W165 Y193 R196 I197 L208 V209 G214 Q215 M216	W165-L212 HydrophobicContact CH2-CD2 3.55Å; W165-L212 HydrophobicContact CZ2-CD2 3.82Å; Y193-L212 HydrophobicContact CE1-CB 4.06Å; Y193-L212 HydrophobicContact CE1-CD2 4.37Å; Y193-L212 WeakPolarHBondContact CE1-O 3.49Å; Y193-L212 HydrophobicContact CE2-CD2 4.41Å; Y193-L212 WeakPolarHBondContact OH-CA 3.37Å; Y193-L212 PolarHBondContact OH-O 3.11Å; R196-L212 HydrophobicContact CB-CD1 4.2Å; R196-L212 HydrophobicContact CG-CD1 3.83Å; I197-L212 HydrophobicContact CD1-CB 3.97Å; I197-L212 HydrophobicContact CG1-CB 3.59Å; I197-L212 HydrophobicContact CG1-CD1 3.85Å; I197-L212 HydrophobicContact CG1-CG 4.37Å; L208-L212 HydrophobicContact CD1-CD1 4.03Å; L208-L212 HydrophobicContact CD1-CD2 4.45Å; L208-L212 HydrophobicContact CD1-CG 3.94Å; L208-L212 HydrophobicContact CG-CD1 3.92Å; L208-L212 HydrophobicContact CG-CG 4.29Å; L208-L212 WeakPolarHBondContact O-CB 3.39Å; L208-L212 WeakPolarHBondContact O-CG 3.47Å; L208-L212 PolarHBondContact O-N 3.06Å; V209-L212 PolarHBondContact O-N 3.45Å; L212-G214 VanDerWaalsContact C-N 3.29Å; L212-G214 PolarHBondContact O-N 3.43Å; L212-Q215 CarbonylContact O-C 3.38Å; L212-Q215 PolarHBondContact O-N 2.8Å; L212-M216 PolarHBondContact O-N 3.24Å
213	A	98.1	Very high	97.3	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.008	35%	0.347	C	S	.	.	H	α-helix	trans	-65.6	-32	177.8	0	0	0	0	0	112.7	V209 T210 Q215 M216 I227 I228	V209-A213 WeakPolarHBondContact O-CB 3.32Å; V209-A213 PolarHBondContact O-N 2.65Å; T210-A213 PolarHBondContact O-N 3.21Å; A213-Q215 PolarHBondContact O-N 3.23Å; A213-M216 HydrophobicContact CB-CE 4.12Å; A213-M216 WeakPolarHBondContact O-CB 3.23Å; A213-M216 PolarHBondContact O-N 2.78Å; A213-I227 HydrophobicContact CB-CB 4.09Å; A213-I227 HydrophobicContact CB-CG2 3.74Å; A213-I228 HydrophobicContact CB-CD1 4.23Å; A213-I228 HydrophobicContact CB-CG1 3.64Å
214	G	97.7	Very high	97.3	Very high	57 Å²	57	50.8 Å²	50.8	59%	0.588	32%	0.323	S	S	*	.	H	α-helix	trans	-66	-17.6	172.8	0	0	0	0	0	114.2	T210 V211 L212	T210-G214 PolarHBondContact O-N 3.14Å; V211-G214 PolarHBondContact O-N 3.37Å; L212-G214 VanDerWaalsContact C-N 3.29Å; L212-G214 PolarHBondContact O-N 3.43Å
215	Q	96.7	Very high	97.4	Very high	115 Å²	115	52.2 Å²	52.2	54%	0.537	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	26.1	178.1	-59	178.6	14.6	0	0	111.9	R183 Y193 V211 L212 A213	R183-Q215 VanDerWaalsContact CZ-O 3.22Å; R183-Q215 PolarHBondContact NH1-O 2.78Å; R183-Q215 PolarHBondContact NH2-O 3.27Å; Y193-Q215 PolarHBondContact OH-O 3.05Å; V211-Q215 PolarHBondContact O-N 2.92Å; L212-Q215 CarbonylContact O-C 3.38Å; L212-Q215 PolarHBondContact O-N 2.8Å; A213-Q215 PolarHBondContact O-N 3.23Å
216	M	97.3	Very high	97.5	Very high	11 Å²	11	51.4 Å²	51.4	5%	0.054	32%	0.323	C	S	.	.			trans	-55.8	138.9	-172.5	-163.2	70.3	83.3	0	0	112.7	Y193 I197 L212 A213 A224 I227	Y193-M216 HydrophobicContact CD1-SD 4.09Å; Y193-M216 HydrophobicContact CE1-SD 4.07Å; I197-M216 HydrophobicContact CD1-CE 3.5Å; I197-M216 HydrophobicContact CD1-SD 3.74Å; L212-M216 PolarHBondContact O-N 3.24Å; A213-M216 HydrophobicContact CB-CE 4.12Å; A213-M216 WeakPolarHBondContact O-CB 3.23Å; A213-M216 PolarHBondContact O-N 2.78Å; M216-A224 HydrophobicContact CB-CB 3.92Å; M216-A224 HydrophobicContact CE-CB 4.21Å; M216-A224 HydrophobicContact CG-CB 4.3Å; M216-I227 HydrophobicContact CE-CD1 3.56Å
217	P	96.4	Very high	97.5	Very high	16 Å²	16	48.3 Å²	48.3	10%	0.104	30%	0.304	C	S	.	.			trans	-57.6	154	164.6	-25	35.2	0	0	0	112.5	Y193 D219 Y220 Q221	Y193-P217 VanDerWaalsContact CD1-CD 3.48Å; Y193-P217 HydrophobicContact CD1-CG 4.03Å; Y193-P217 HydrophobicContact CD2-CG 4.03Å; Y193-P217 HydrophobicContact CE1-CG 4.49Å; Y193-P217 HydrophobicContact CE2-CG 4.49Å; Y193-P217 HydrophobicContact CG-CG 3.79Å; P217-D219 PolarHBondContact O-N 2.97Å; P217-D219 VanDerWaalsContact O-N 3.14Å; P217-Y220 PolarHBondContact O-N 2.77Å; P217-Y220 VanDerWaalsContact O-N 3.14Å; P217-Q221 PolarHBondContact O-N 2.66Å
218	A	96.6	Very high	97.6	Very high	90 Å²	90	48.5 Å²	48.5	74%	0.744	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-56.3	-33.6	-177.1	0	0	0	0	0	112.7	Y220 Q221	A218-Y220 PolarHBondContact O-N 3.08Å; A218-Y220 VanDerWaalsContact O-N 3.14Å; A218-Q221 PolarHBondContact O-N 3.18Å
219	D	95.8	Very high	97.6	Very high	106 Å²	106	50.1 Å²	50.1	57%	0.567	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-52.1	-33.5	178.4	-51.9	-107.8	0	0	0	113.7	P190 P217	P190-D219 HydrophobicContact CB-CB 4.38Å; P217-D219 PolarHBondContact O-N 2.97Å; P217-D219 VanDerWaalsContact O-N 3.14Å
220	Y	97.3	Very high	97.6	Very high	47 Å²	47	50.1 Å²	50.1	18%	0.184	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-123.7	13.7	-174.7	-50	-62.8	0	0	0	113.4	P190 L191 L194 P217 A218 T222 I223	P190-Y220 HydrophobicContact CB-CE2 3.75Å; P190-Y220 WeakPolarHBondContact O-CE2 3.31Å; L191-Y220 VanDerWaalsContact CD2-OH 3.26Å; L191-Y220 WeakPolarHBondContact CD2-OH 3.11Å; L194-Y220 HydrophobicContact CB-CD2 4.28Å; L194-Y220 HydrophobicContact CB-CE2 4.02Å; L194-Y220 HydrophobicContact CD1-CD2 4.2Å; L194-Y220 HydrophobicContact CD1-CG 4.17Å; L194-Y220 HydrophobicContact CD2-CD1 4.16Å; L194-Y220 HydrophobicContact CD2-CD2 4.47Å; L194-Y220 HydrophobicContact CD2-CE1 3.93Å; L194-Y220 HydrophobicContact CD2-CE2 4.24Å; L194-Y220 HydrophobicContact CD2-CG 4.43Å; P217-Y220 PolarHBondContact O-N 2.77Å; P217-Y220 VanDerWaalsContact O-N 3.14Å; A218-Y220 PolarHBondContact O-N 3.08Å; A218-Y220 VanDerWaalsContact O-N 3.14Å; Y220-T222 PolarHBondContact O-N 2.91Å; Y220-T222 VanDerWaalsContact O-N 3.13Å; Y220-I223 VanDerWaalsContact O-CG1 3.23Å; Y220-I223 WeakPolarHBondContact O-CG1 3.29Å; Y220-I223 PolarHBondContact O-N 3.06Å; Y220-I223 VanDerWaalsContact O-N 3.14Å
221	Q	96.7	Very high	97.5	Very high	113 Å²	113	48.8 Å²	48.8	53%	0.528	30%	0.3	S	S	.	.	H	α-helix	trans	-60.6	-28.8	-174.4	-174.9	66.9	-38.6	0	0	112.8	P217 A218 I223 A224	P217-Q221 PolarHBondContact O-N 2.66Å; A218-Q221 PolarHBondContact O-N 3.18Å; Q221-I223 PolarHBondContact O-N 3Å; Q221-A224 WeakPolarHBondContact O-CB 3.44Å; Q221-A224 PolarHBondContact O-N 3.25Å
222	T	96.9	Very high	97.5	Very high	134 Å²	134	50.3 Å²	50.3	82%	0.822	31%	0.305	S	S	*	.	H	α-helix	trans	-63.5	-25	179.7	58.7	0	0	0	0	113.8	Y220	Y220-T222 PolarHBondContact O-N 2.91Å; Y220-T222 VanDerWaalsContact O-N 3.13Å
223	I	97.7	Very high	97.5	Very high	25 Å²	25	53.5 Å²	53.5	13%	0.128	32%	0.322	C	S	.	.	H	α-helix	trans	-106	-3.4	179.5	62.6	170.8	0	0	0	113.3	Y220 Q221 S225 A226 I227 T244 F249	Y220-I223 VanDerWaalsContact O-CG1 3.23Å; Y220-I223 WeakPolarHBondContact O-CG1 3.29Å; Y220-I223 PolarHBondContact O-N 3.06Å; Y220-I223 VanDerWaalsContact O-N 3.14Å; Q221-I223 PolarHBondContact O-N 3Å; I223-S225 PolarHBondContact O-N 3.09Å; I223-A226 PolarHBondContact O-N 2.9Å; I223-I227 HydrophobicContact CD1-CD1 3.98Å; I223-I227 HydrophobicContact CG1-CD1 3.99Å; I223-I227 WeakPolarHBondContact O-CG1 3.41Å; I223-I227 PolarHBondContact O-N 3.08Å; I223-T244 HydrophobicContact CB-CG2 4.35Å; I223-T244 HydrophobicContact CG2-CG2 3.9Å; I223-F249 HydrophobicContact CD1-CD1 4.33Å; I223-F249 HydrophobicContact CD1-CE1 4Å
224	A	98.1	Very high	97.5	Very high	5 Å²	5	54.4 Å²	54.4	4%	0.041	33%	0.328	C	S	.	.	H	α-helix	trans	-58	-48.9	-175.3	0	0	0	0	0	112.7	M216 Q221 A226 I227 I228	M216-A224 HydrophobicContact CB-CB 3.92Å; M216-A224 HydrophobicContact CE-CB 4.21Å; M216-A224 HydrophobicContact CG-CB 4.3Å; Q221-A224 WeakPolarHBondContact O-CB 3.44Å; Q221-A224 PolarHBondContact O-N 3.25Å; A224-A226 VanDerWaalsContact C-N 3.32Å; A224-A226 PolarHBondContact O-N 2.98Å; A224-I227 PolarHBondContact O-N 3.38Å; A224-I228 WeakPolarHBondContact O-CG1 3.23Å; A224-I228 PolarHBondContact O-N 3.36Å; A224-I228 VanDerWaalsContact O-N 3.07Å
225	S	98.1	Very high	97.5	Very high	87 Å²	87	55 Å²	55	61%	0.608	32%	0.318	S	S	*	.	H	α-helix	trans	-60.5	-41.2	178	179.7	0	0	0	0	112	I223 I227 I228 S229	I223-S225 PolarHBondContact O-N 3.09Å; S225-I227 PolarHBondContact O-N 2.95Å; S225-I228 PolarHBondContact O-N 3.34Å; S225-S229 PolarHBondContact O-N 3.42Å; S225-S229 PolarHBondContact O-OG 3.1Å
226	A	98.2	Very high	97.6	Very high	21 Å²	21	51.3 Å²	51.3	17%	0.174	30%	0.303	C	S	.	.	H	α-helix	trans	-65.5	-38.4	178.9	0	0	0	0	0	112.1	I223 A224 S229 L230 F240 T244	I223-A226 PolarHBondContact O-N 2.9Å; A224-A226 VanDerWaalsContact C-N 3.32Å; A224-A226 PolarHBondContact O-N 2.98Å; A226-S229 PolarHBondContact O-N 3.23Å; A226-L230 WeakPolarHBondContact O-CB 3.26Å; A226-L230 PolarHBondContact O-N 2.84Å; A226-F240 HydrophobicContact CB-CD2 3.77Å; A226-F240 HydrophobicContact CB-CE2 4.16Å; A226-T244 HydrophobicContact CB-CG2 3.91Å
227	I	98.5	Very high	97.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-43.5	174.9	-68.4	165.8	0	0	0	111	I197 V209 A213 M216 I223 A224 S225 L230 A231 F240 F249 M253	I197-I227 HydrophobicContact CG2-CG2 4.03Å; V209-I227 HydrophobicContact CG1-CG2 3.49Å; V209-I227 VanDerWaalsContact CG1-CG2 3.49Å; A213-I227 HydrophobicContact CB-CB 4.09Å; A213-I227 HydrophobicContact CB-CG2 3.74Å; M216-I227 HydrophobicContact CE-CD1 3.56Å; I223-I227 HydrophobicContact CD1-CD1 3.98Å; I223-I227 HydrophobicContact CG1-CD1 3.99Å; I223-I227 WeakPolarHBondContact O-CG1 3.41Å; I223-I227 PolarHBondContact O-N 3.08Å; A224-I227 PolarHBondContact O-N 3.38Å; S225-I227 PolarHBondContact O-N 2.95Å; I227-L230 PolarHBondContact O-N 2.75Å; I227-A231 WeakPolarHBondContact O-CB 3.37Å; I227-A231 PolarHBondContact O-N 3.17Å; I227-F240 HydrophobicContact CG1-CE2 4.03Å; I227-F249 HydrophobicContact CD1-CE1 3.93Å; I227-F249 HydrophobicContact CD1-CZ 4.02Å; I227-M253 HydrophobicContact CG2-CE 4.15Å
228	I	98.4	Very high	97.7	Very high	46 Å²	46	51.7 Å²	51.7	24%	0.236	31%	0.305	C	S	.	.	H	α-helix	trans	-61.1	-46.5	177	-66.2	166.6	0	0	0	110.3	T210 A213 A224 S225 L230 A231 N232	T210-I228 HydrophobicContact CG2-CG1 4.48Å; T210-I228 HydrophobicContact CG2-CG2 4.09Å; A213-I228 HydrophobicContact CB-CD1 4.23Å; A213-I228 HydrophobicContact CB-CG1 3.64Å; A224-I228 WeakPolarHBondContact O-CG1 3.23Å; A224-I228 PolarHBondContact O-N 3.36Å; A224-I228 VanDerWaalsContact O-N 3.07Å; S225-I228 PolarHBondContact O-N 3.34Å; I228-L230 VanDerWaalsContact C-N 3.3Å; I228-L230 PolarHBondContact O-N 3.33Å; I228-A231 PolarHBondContact O-N 3.03Å; I228-N232 WeakPolarHBondContact O-CB 3.24Å; I228-N232 VanDerWaalsContact O-CG 3.25Å; I228-N232 PolarHBondContact O-N 3.28Å; I228-N232 PolarHBondContact O-ND2 3.4Å
229	S	98.3	Very high	97.8	Very high	54 Å²	54	51.7 Å²	51.7	38%	0.378	30%	0.295	S	S	.	.	H	α-helix	trans	-59	-42	176	-62.8	0	0	0	0	112.2	S225 A226 N232 N233 T236	S225-S229 PolarHBondContact O-N 3.42Å; S225-S229 PolarHBondContact O-OG 3.1Å; A226-S229 PolarHBondContact O-N 3.23Å; S229-N232 PolarHBondContact O-N 2.94Å; S229-N233 PolarHBondContact O-N 2.83Å; S229-T236 PolarHBondContact O-OG1 3.47Å
230	L	98.1	Very high	97.9	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-41.9	179.4	-167.8	68.5	0	0	0	112.4	M201 A226 I227 I228 N233 T236 V237 F240 M253 A257	M201-L230 HydrophobicContact CE-CD2 4.16Å; M201-L230 HydrophobicContact CE-CG 4.15Å; A226-L230 WeakPolarHBondContact O-CB 3.26Å; A226-L230 PolarHBondContact O-N 2.84Å; I227-L230 PolarHBondContact O-N 2.75Å; I228-L230 VanDerWaalsContact C-N 3.3Å; I228-L230 PolarHBondContact O-N 3.33Å; L230-N233 CarbonylContact O-C 3.46Å; L230-T236 WeakPolarHBondContact CA-OG1 3.47Å; L230-V237 HydrophobicContact CD1-CB 3.9Å; L230-V237 HydrophobicContact CD1-CG2 4.35Å; L230-F240 HydrophobicContact CB-CD2 4.25Å; L230-F240 HydrophobicContact CD1-CB 4.08Å; L230-F240 HydrophobicContact CD1-CG 4.24Å; L230-F240 HydrophobicContact CD2-CD1 3.99Å; L230-F240 HydrophobicContact CD2-CD2 4.04Å; L230-F240 HydrophobicContact CD2-CE1 4.09Å; L230-F240 HydrophobicContact CD2-CE2 4.15Å; L230-F240 HydrophobicContact CD2-CG 3.98Å; L230-F240 HydrophobicContact CD2-CZ 4.18Å; L230-M253 HydrophobicContact CD2-CB 4.09Å; L230-A257 HydrophobicContact CD1-CB 3.47Å; L230-A257 VanDerWaalsContact CD1-CB 3.47Å; L230-A257 HydrophobicContact CD2-CB 4.08Å; L230-A257 HydrophobicContact CG-CB 3.77Å
231	A	97.6	Very high	98	Very high	8 Å²	8	44.6 Å²	44.6	7%	0.066	26%	0.261	C	S	.	.	H	α-helix	trans	-68.4	-36.2	178	0	0	0	0	0	112.6	T206 V209 I227 I228	T206-A231 WeakPolarHBondContact CB-O 3.43Å; T206-A231 HydrophobicContact CG2-CB 4.43Å; T206-A231 WeakPolarHBondContact CG2-O 3.4Å; V209-A231 HydrophobicContact CB-CB 4.05Å; V209-A231 HydrophobicContact CG1-CB 3.65Å; I227-A231 WeakPolarHBondContact O-CB 3.37Å; I227-A231 PolarHBondContact O-N 3.17Å; I228-A231 PolarHBondContact O-N 3.03Å
232	N	97.5	Very high	98.1	Very high	114 Å²	114	46.5 Å²	46.5	61%	0.61	26%	0.263	S	S	*	.	H	α-helix	trans	-74.8	-39.4	178.4	-71.3	-14.8	0	0	0	112.3	I228 S229	I228-N232 WeakPolarHBondContact O-CB 3.24Å; I228-N232 VanDerWaalsContact O-CG 3.25Å; I228-N232 PolarHBondContact O-N 3.28Å; I228-N232 PolarHBondContact O-ND2 3.4Å; S229-N232 PolarHBondContact O-N 2.94Å
233	N	97.9	Very high	98.1	Very high	72 Å²	72	44.9 Å²	44.9	39%	0.385	25%	0.253	S	S	.	.			trans	-143.1	108	178.4	-175.6	1.4	0	0	0	111.2	S229 L230 N235 T236	S229-N233 PolarHBondContact O-N 2.83Å; L230-N233 CarbonylContact O-C 3.46Å; N233-N235 PolarHBondContact O-N 3.18Å; N233-N235 VanDerWaalsContact O-N 3.11Å; N233-N235 VanDerWaalsContact OD1-CB 3.31Å; N233-N235 WeakPolarHBondContact OD1-CB 3.27Å; N233-N235 PolarHBondContact OD1-N 3.24Å; N233-N235 PolarHBondContact OD1-ND2 2.86Å; N233-T236 HydrophobicContact CB-CG2 4.29Å; N233-T236 PolarHBondContact O-N 3.09Å; N233-T236 VanDerWaalsContact O-N 3.09Å; N233-T236 PolarHBondContact O-OG1 2.75Å
234	P	97.8	Very high	98.1	Very high	20 Å²	20	44.3 Å²	44.3	13%	0.13	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-64.4	-19	-178.9	27.3	-35.4	0	0	0	113.2	T236 V237 A257 V261	P234-T236 PolarHBondContact O-N 3.3Å; P234-T236 VanDerWaalsContact O-N 3.12Å; P234-V237 VanDerWaalsContact O-CB 3.27Å; P234-V237 WeakPolarHBondContact O-CB 3.07Å; P234-V237 WeakPolarHBondContact O-CG1 3.36Å; P234-V237 PolarHBondContact O-N 2.92Å; P234-A257 HydrophobicContact CB-CB 4.14Å; P234-A257 WeakPolarHBondContact CB-O 3.38Å; P234-V261 HydrophobicContact CB-CG2 4.09Å; P234-V261 VanDerWaalsContact O-CG2 3.32Å; P234-V261 WeakPolarHBondContact O-CG2 3.24Å
235	N	97.9	Very high	98	Very high	69 Å²	69	46.7 Å²	46.7	37%	0.369	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-66.3	-10.8	176	-63.5	-69.2	0	0	0	113.3	N233 V237 Q264	N233-N235 PolarHBondContact O-N 3.18Å; N233-N235 VanDerWaalsContact O-N 3.11Å; N233-N235 VanDerWaalsContact OD1-CB 3.31Å; N233-N235 WeakPolarHBondContact OD1-CB 3.27Å; N233-N235 PolarHBondContact OD1-N 3.24Å; N233-N235 PolarHBondContact OD1-ND2 2.86Å; N235-V237 PolarHBondContact O-N 3.37Å; N235-Q264 PolarHBondContact ND2-OE1 3.28Å
236	T	98.3	Very high	97.9	Very high	38 Å²	38	44 Å²	44	23%	0.233	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-79.5	-0.2	172.2	63.5	0	0	0	0	113.5	S229 L230 N233 P234 L238 T239 F240	S229-T236 PolarHBondContact O-OG1 3.47Å; L230-T236 WeakPolarHBondContact CA-OG1 3.47Å; N233-T236 HydrophobicContact CB-CG2 4.29Å; N233-T236 PolarHBondContact O-N 3.09Å; N233-T236 VanDerWaalsContact O-N 3.09Å; N233-T236 PolarHBondContact O-OG1 2.75Å; P234-T236 PolarHBondContact O-N 3.3Å; P234-T236 VanDerWaalsContact O-N 3.12Å; T236-L238 VanDerWaalsContact C-N 3.3Å; T236-L238 PolarHBondContact O-N 3.16Å; T236-T239 WeakPolarHBondContact O-CB 3.29Å; T236-T239 PolarHBondContact O-N 2.8Å; T236-F240 PolarHBondContact O-N 2.92Å
237	V	98.4	Very high	97.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-53.2	-39.4	-174.8	63.9	0	0	0	0	114.3	L230 P234 N235 F240 A241 A254 A257 V261 M272 L276	L230-V237 HydrophobicContact CD1-CB 3.9Å; L230-V237 HydrophobicContact CD1-CG2 4.35Å; P234-V237 VanDerWaalsContact O-CB 3.27Å; P234-V237 WeakPolarHBondContact O-CB 3.07Å; P234-V237 WeakPolarHBondContact O-CG1 3.36Å; P234-V237 PolarHBondContact O-N 2.92Å; N235-V237 PolarHBondContact O-N 3.37Å; V237-F240 PolarHBondContact O-N 2.94Å; V237-A241 VanDerWaalsContact O-CB 3.24Å; V237-A241 WeakPolarHBondContact O-CB 3.07Å; V237-A241 PolarHBondContact O-N 2.94Å; V237-A254 HydrophobicContact CG2-CB 3.82Å; V237-A254 WeakPolarHBondContact CG2-O 3.34Å; V237-A257 HydrophobicContact CB-CB 4.02Å; V237-A257 HydrophobicContact CG2-CB 4.01Å; V237-V261 HydrophobicContact CG1-CG2 4.12Å; V237-M272 HydrophobicContact CG1-CE 4.17Å; V237-M272 HydrophobicContact CG1-SD 3.51Å; V237-M272 VanDerWaalsContact CG1-SD 3.51Å; V237-L276 HydrophobicContact CG2-CD1 4.39Å
238	L	98.3	Very high	97.8	Very high	36 Å²	36	50.8 Å²	50.8	19%	0.188	30%	0.295	C	S	.	.	H	α-helix	trans	-71	-37.3	179	-175	60.4	0	0	0	112	T236 A241 R242 M272	T236-L238 VanDerWaalsContact C-N 3.3Å; T236-L238 PolarHBondContact O-N 3.16Å; L238-A241 PolarHBondContact O-N 3.4Å; L238-R242 WeakPolarHBondContact O-CG 3.38Å; L238-R242 PolarHBondContact O-N 3.37Å; L238-R242 VanDerWaalsContact O-N 3.16Å; L238-M272 HydrophobicContact CB-SD 4.19Å
239	T	98.4	Very high	97.7	Very high	89 Å²	89	49.5 Å²	49.5	55%	0.546	29%	0.288	S	S	.	.	H	α-helix	trans	-64.5	-49.4	173.4	-57.5	0	0	0	0	110	T236 A241 R242 T243	T236-T239 WeakPolarHBondContact O-CB 3.29Å; T236-T239 PolarHBondContact O-N 2.8Å; T239-A241 VanDerWaalsContact C-N 3.28Å; T239-A241 PolarHBondContact O-N 3.34Å; T239-R242 PolarHBondContact O-N 3.45Å; T239-T243 HydrophobicContact CG2-CG2 4.15Å; T239-T243 WeakPolarHBondContact O-CG2 3.47Å; T239-T243 PolarHBondContact O-N 2.86Å; T239-T243 PolarHBondContact O-OG1 2.84Å; T239-T243 VanDerWaalsContact O-OG1 3.05Å
240	F	98.6	Very high	97.7	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.018	27%	0.271	C	S	.	.	H	α-helix	trans	-52.9	-46.6	175.1	173.6	-89.5	0	0	0	111.8	A226 I227 L230 T236 V237 R242 T243 T244 T250 M253 A254	A226-F240 HydrophobicContact CB-CD2 3.77Å; A226-F240 HydrophobicContact CB-CE2 4.16Å; I227-F240 HydrophobicContact CG1-CE2 4.03Å; L230-F240 HydrophobicContact CB-CD2 4.25Å; L230-F240 HydrophobicContact CD1-CB 4.08Å; L230-F240 HydrophobicContact CD1-CG 4.24Å; L230-F240 HydrophobicContact CD2-CD1 3.99Å; L230-F240 HydrophobicContact CD2-CD2 4.04Å; L230-F240 HydrophobicContact CD2-CE1 4.09Å; L230-F240 HydrophobicContact CD2-CE2 4.15Å; L230-F240 HydrophobicContact CD2-CG 3.98Å; L230-F240 HydrophobicContact CD2-CZ 4.18Å; T236-F240 PolarHBondContact O-N 2.92Å; V237-F240 PolarHBondContact O-N 2.94Å; F240-R242 VanDerWaalsContact C-N 3.26Å; F240-R242 PolarHBondContact O-N 3.39Å; F240-T243 PolarHBondContact O-N 2.91Å; F240-T244 HydrophobicContact CD2-CG2 4.05Å; F240-T244 HydrophobicContact CE2-CG2 3.96Å; F240-T244 HydrophobicContact CZ-CG2 4.38Å; F240-T244 WeakPolarHBondContact O-CB 3.38Å; F240-T244 WeakPolarHBondContact O-CG2 3.4Å; F240-T244 PolarHBondContact O-N 3.49Å; F240-T244 VanDerWaalsContact O-N 3.13Å; F240-T244 PolarHBondContact O-OG1 3.24Å; F240-T250 HydrophobicContact CE1-CG2 4.35Å; F240-T250 HydrophobicContact CZ-CG2 4.09Å; F240-M253 HydrophobicContact CE1-CB 4.21Å; F240-M253 HydrophobicContact CZ-CB 4.13Å; F240-A254 HydrophobicContact CD1-CB 4.36Å; F240-A254 HydrophobicContact CE1-CB 4.44Å
241	A	98.3	Very high	97.7	Very high	1 Å²	1	50 Å²	50	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-65.2	-25.3	179.3	0	0	0	0	0	114	V237 L238 T239 L276 A279 Q280	V237-A241 VanDerWaalsContact O-CB 3.24Å; V237-A241 WeakPolarHBondContact O-CB 3.07Å; V237-A241 PolarHBondContact O-N 2.94Å; L238-A241 PolarHBondContact O-N 3.4Å; T239-A241 VanDerWaalsContact C-N 3.28Å; T239-A241 PolarHBondContact O-N 3.34Å; A241-L276 HydrophobicContact CB-CD1 3.42Å; A241-L276 VanDerWaalsContact CB-CD1 3.42Å; A241-A279 HydrophobicContact CB-CB 4.07Å; A241-Q280 HydrophobicContact CB-CG 3.79Å; A241-Q280 PolarHBondContact O-NE2 3.27Å
242	R	98.1	Very high	97.7	Very high	152 Å²	152	51.7 Å²	51.7	57%	0.574	29%	0.288	S	S	*	.	H	α-helix	trans	-91.7	-30.9	179.7	-73.4	173.6	174	173.2	-1.3	113.2	L238 T239 F240 A279	L238-R242 WeakPolarHBondContact O-CG 3.38Å; L238-R242 PolarHBondContact O-N 3.37Å; L238-R242 VanDerWaalsContact O-N 3.16Å; T239-R242 PolarHBondContact O-N 3.45Å; F240-R242 VanDerWaalsContact C-N 3.26Å; F240-R242 PolarHBondContact O-N 3.39Å; R242-A279 HydrophobicContact CG-CB 3.87Å
243	T	97.5	Very high	97.8	Very high	100 Å²	100	46.4 Å²	46.4	61%	0.613	26%	0.26	S	S	*	.	H	α-helix	trans	-95.6	-10.4	-174.9	61.3	0	0	0	0	113.6	T239 F240	T239-T243 HydrophobicContact CG2-CG2 4.15Å; T239-T243 WeakPolarHBondContact O-CG2 3.47Å; T239-T243 PolarHBondContact O-N 2.86Å; T239-T243 PolarHBondContact O-OG1 2.84Å; T239-T243 VanDerWaalsContact O-OG1 3.05Å; F240-T243 PolarHBondContact O-N 2.91Å
244	T	97.3	Very high	97.8	Very high	13 Å²	13	43.1 Å²	43.1	8%	0.08	24%	0.243	C	C	.	.	S	Bend	trans	-110.6	144.8	176.7	66.7	0	0	0	0	111.2	I223 A226 F240 A246	I223-T244 HydrophobicContact CB-CG2 4.35Å; I223-T244 HydrophobicContact CG2-CG2 3.9Å; A226-T244 HydrophobicContact CB-CG2 3.91Å; F240-T244 HydrophobicContact CD2-CG2 4.05Å; F240-T244 HydrophobicContact CE2-CG2 3.96Å; F240-T244 HydrophobicContact CZ-CG2 4.38Å; F240-T244 WeakPolarHBondContact O-CB 3.38Å; F240-T244 WeakPolarHBondContact O-CG2 3.4Å; F240-T244 PolarHBondContact O-N 3.49Å; F240-T244 VanDerWaalsContact O-N 3.13Å; F240-T244 PolarHBondContact O-OG1 3.24Å; T244-A246 PolarHBondContact O-N 3.04Å
245	G	96.2	Very high	97.8	Very high	56 Å²	56	42.7 Å²	42.7	58%	0.577	24%	0.241	S	C	*	.			trans	-63.9	132	176	0	0	0	0	0	111.6	T247 T250	G245-T247 PolarHBondContact O-N 3.32Å; G245-T250 WeakPolarHBondContact O-CG2 3.37Å; G245-T250 PolarHBondContact O-OG1 3.32Å
246	A	97.3	Very high	97.7	Very high	31 Å²	31	40.9 Å²	40.9	26%	0.256	23%	0.232	S	C	.	.			trans	-70.9	109.6	-176.5	0	0	0	0	0	112.1	T244 Q280	T244-A246 PolarHBondContact O-N 3.04Å; A246-Q280 HydrophobicContact CB-CB 4.32Å
247	T	96.8	Very high	97.7	Very high	69 Å²	69	39.1 Å²	39.1	42%	0.423	22%	0.221	S	C	.	.			trans	-130.4	168.8	177.7	60.3	0	0	0	0	109.7	G245 F249 T250 R251	G245-T247 PolarHBondContact O-N 3.32Å; T247-F249 PolarHBondContact O-N 2.91Å; T247-T250 PolarHBondContact N-OG1 3.11Å; T247-T250 PolarHBondContact O-N 3.29Å; T247-T250 PolarHBondContact O-OG1 3.23Å; T247-T250 PolarHBondContact OG1-N 3.47Å; T247-T250 PolarHBondContact OG1-OG1 2.93Å; T247-R251 WeakPolarHBondContact O-CB 3.45Å; T247-R251 WeakPolarHBondContact O-CG 3Å; T247-R251 PolarHBondContact O-N 3.19Å
248	D	96.6	Very high	97.7	Very high	93 Å²	93	39.1 Å²	39.1	50%	0.497	22%	0.221	S	C	.	.	H	α-helix	trans	-55	-40.2	172.4	-175.8	67.1	0	0	0	111.9	Q252	D248-Q252 WeakPolarHBondContact O-CG 3.39Å; D248-Q252 PolarHBondContact O-N 3.07Å; D248-Q252 PolarHBondContact OD2-NE2 3.34Å
249	F	97.4	Very high	97.7	Very high	20 Å²	20	39.1 Å²	39.1	9%	0.088	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-54.5	176.4	173.8	-98.3	0	0	0	112.7	L194 I197 R198 I223 I227 T247 R251 Q252 M253	L194-F249 HydrophobicContact CD1-CD1 4.1Å; L194-F249 HydrophobicContact CD1-CD2 4.12Å; L194-F249 HydrophobicContact CD1-CE1 3.65Å; L194-F249 HydrophobicContact CD1-CE2 3.65Å; L194-F249 HydrophobicContact CD1-CG 4.32Å; L194-F249 HydrophobicContact CD1-CZ 3.39Å; L194-F249 HydrophobicContact CD2-CB 4.25Å; L194-F249 HydrophobicContact CD2-CD1 4.09Å; L194-F249 HydrophobicContact CD2-CD2 3.94Å; L194-F249 HydrophobicContact CD2-CE1 4.48Å; L194-F249 HydrophobicContact CD2-CE2 4.33Å; L194-F249 HydrophobicContact CD2-CG 3.81Å; L194-F249 HydrophobicContact CG-CD1 4.22Å; L194-F249 HydrophobicContact CG-CD2 3.6Å; L194-F249 HydrophobicContact CG-CE1 4.18Å; L194-F249 HydrophobicContact CG-CE2 3.54Å; L194-F249 HydrophobicContact CG-CG 3.95Å; L194-F249 HydrophobicContact CG-CZ 3.85Å; L194-F249 WeakPolarHBondContact O-CE2 3.47Å; I197-F249 HydrophobicContact CB-CE2 4.41Å; I197-F249 HydrophobicContact CB-CZ 4.42Å; I197-F249 HydrophobicContact CG2-CE2 4.28Å; I197-F249 HydrophobicContact CG2-CZ 3.94Å; R198-F249 HydrophobicContact CB-CD2 4.09Å; R198-F249 HydrophobicContact CB-CE2 3.95Å; I223-F249 HydrophobicContact CD1-CD1 4.33Å; I223-F249 HydrophobicContact CD1-CE1 4Å; I227-F249 HydrophobicContact CD1-CE1 3.93Å; I227-F249 HydrophobicContact CD1-CZ 4.02Å; T247-F249 PolarHBondContact O-N 2.91Å; F249-R251 VanDerWaalsContact C-N 3.3Å; F249-R251 PolarHBondContact O-N 3.05Å; F249-Q252 PolarHBondContact O-N 3.34Å; F249-M253 HydrophobicContact CD1-CG 4.33Å; F249-M253 HydrophobicContact CD2-CG 4.34Å; F249-M253 HydrophobicContact CE1-CG 3.87Å; F249-M253 HydrophobicContact CE2-CG 3.89Å; F249-M253 HydrophobicContact CE2-SD 4.11Å; F249-M253 HydrophobicContact CZ-CG 3.64Å; F249-M253 HydrophobicContact CZ-SD 4.04Å; F249-M253 WeakPolarHBondContact O-CG 3.37Å; F249-M253 PolarHBondContact O-N 3.36Å
250	T	98.1	Very high	97.7	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-65.9	-35.1	-176.9	57.4	0	0	0	0	111.7	F240 G245 T247 M253 A254 Q280	F240-T250 HydrophobicContact CE1-CG2 4.35Å; F240-T250 HydrophobicContact CZ-CG2 4.09Å; G245-T250 WeakPolarHBondContact O-CG2 3.37Å; G245-T250 PolarHBondContact O-OG1 3.32Å; T247-T250 PolarHBondContact N-OG1 3.11Å; T247-T250 PolarHBondContact O-N 3.29Å; T247-T250 PolarHBondContact O-OG1 3.23Å; T247-T250 PolarHBondContact OG1-N 3.47Å; T247-T250 PolarHBondContact OG1-OG1 2.93Å; T250-M253 PolarHBondContact O-N 2.73Å; T250-A254 VanDerWaalsContact O-CB 3.31Å; T250-A254 WeakPolarHBondContact O-CB 3.31Å; T250-A254 PolarHBondContact O-N 3.47Å; T250-Q280 PolarHBondContact OG1-OE1 3.32Å
251	R	98.4	Very high	97.7	Very high	61 Å²	61	37 Å²	37	23%	0.23	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-47.4	174.6	-70.2	174.1	-173.2	130.7	-0.3	111.7	T247 F249 A254 A255 Q280 L282	T247-R251 WeakPolarHBondContact O-CB 3.45Å; T247-R251 WeakPolarHBondContact O-CG 3Å; T247-R251 PolarHBondContact O-N 3.19Å; F249-R251 VanDerWaalsContact C-N 3.3Å; F249-R251 PolarHBondContact O-N 3.05Å; R251-A254 PolarHBondContact O-N 2.81Å; R251-A255 WeakPolarHBondContact O-CB 3.22Å; R251-A255 PolarHBondContact O-N 3.28Å; R251-Q280 HydrophobicContact CG-CB 4.07Å; R251-Q280 PolarHBondContact NE-O 2.85Å; R251-Q280 PolarHBondContact NH2-O 3.03Å; R251-L282 HydrophobicContact CB-CD2 4.23Å; R251-L282 HydrophobicContact CG-CD2 3.62Å
252	Q	97.7	Very high	97.6	Very high	45 Å²	45	37 Å²	37	21%	0.21	22%	0.216	C	C	.	.	H	α-helix	trans	-65.3	-39.9	177.8	-71.8	-166.9	59.1	0	0	112.6	R198 D248 F249 A255 V256	R198-Q252 HydrophobicContact CG-CB 4.38Å; D248-Q252 WeakPolarHBondContact O-CG 3.39Å; D248-Q252 PolarHBondContact O-N 3.07Å; D248-Q252 PolarHBondContact OD2-NE2 3.34Å; F249-Q252 PolarHBondContact O-N 3.34Å; Q252-A255 PolarHBondContact O-N 3.36Å; Q252-V256 WeakPolarHBondContact O-CG2 3.45Å; Q252-V256 PolarHBondContact O-N 3.47Å
253	M	98.1	Very high	97.6	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-45.5	174.8	-69.1	-64.4	-68.5	0	0	111.4	I197 M201 V209 I227 L230 F240 F249 T250 V256 A257	I197-M253 HydrophobicContact CG2-CE 3.91Å; I197-M253 HydrophobicContact CG2-SD 4.26Å; M201-M253 HydrophobicContact CB-CE 3.69Å; M201-M253 HydrophobicContact CB-SD 3.48Å; M201-M253 WeakPolarHBondContact CB-SD 3.45Å; M201-M253 HydrophobicContact CG-CE 3.6Å; M201-M253 HydrophobicContact CG-SD 3.66Å; M201-M253 HydrophobicContact SD-CE 3.95Å; V209-M253 HydrophobicContact CG1-CE 4.27Å; I227-M253 HydrophobicContact CG2-CE 4.15Å; L230-M253 HydrophobicContact CD2-CB 4.09Å; F240-M253 HydrophobicContact CE1-CB 4.21Å; F240-M253 HydrophobicContact CZ-CB 4.13Å; F249-M253 HydrophobicContact CD1-CG 4.33Å; F249-M253 HydrophobicContact CD2-CG 4.34Å; F249-M253 HydrophobicContact CE1-CG 3.87Å; F249-M253 HydrophobicContact CE2-CG 3.89Å; F249-M253 HydrophobicContact CE2-SD 4.11Å; F249-M253 HydrophobicContact CZ-CG 3.64Å; F249-M253 HydrophobicContact CZ-SD 4.04Å; F249-M253 WeakPolarHBondContact O-CG 3.37Å; F249-M253 PolarHBondContact O-N 3.36Å; T250-M253 PolarHBondContact O-N 2.73Å; M253-V256 PolarHBondContact O-N 3.31Å; M253-A257 PolarHBondContact O-N 2.92Å; M253-A257 VanDerWaalsContact O-N 3.15Å
254	A	98.1	Very high	97.6	Very high	3 Å²	3	39.4 Å²	39.4	3%	0.025	22%	0.219	C	C	.	.	H	α-helix	trans	-64	-40.9	177.9	0	0	0	0	0	112.1	V237 F240 T250 R251 V256 A257 F258 L276	V237-A254 HydrophobicContact CG2-CB 3.82Å; V237-A254 WeakPolarHBondContact CG2-O 3.34Å; F240-A254 HydrophobicContact CD1-CB 4.36Å; F240-A254 HydrophobicContact CE1-CB 4.44Å; T250-A254 VanDerWaalsContact O-CB 3.31Å; T250-A254 WeakPolarHBondContact O-CB 3.31Å; T250-A254 PolarHBondContact O-N 3.47Å; R251-A254 PolarHBondContact O-N 2.81Å; A254-V256 VanDerWaalsContact C-N 3.35Å; A254-V256 PolarHBondContact O-N 3.37Å; A254-A257 PolarHBondContact O-N 3.24Å; A254-F258 WeakPolarHBondContact O-CB 3.41Å; A254-F258 PolarHBondContact O-N 3.07Å; A254-L276 HydrophobicContact CB-CD1 4.41Å
255	A	98.2	Very high	97.6	Very high	11 Å²	11	42.6 Å²	42.6	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-61	-40.7	178	0	0	0	0	0	112.6	R251 Q252 F258 A259 L290	R251-A255 WeakPolarHBondContact O-CB 3.22Å; R251-A255 PolarHBondContact O-N 3.28Å; Q252-A255 PolarHBondContact O-N 3.36Å; A255-F258 PolarHBondContact O-N 3.12Å; A255-A259 PolarHBondContact O-N 3.01Å; A255-L290 HydrophobicContact CB-CD2 4.4Å
256	V	96.7	Very high	97.7	Very high	32 Å²	32	40.8 Å²	40.8	19%	0.194	22%	0.216	C	C	.	.	H	α-helix	trans	-67.6	-43.5	176.6	177.9	0	0	0	0	111.8	M201 K202 Q252 M253 A254 F258 A259 S260	M201-V256 HydrophobicContact CE-CB 4.36Å; M201-V256 HydrophobicContact CE-CG1 4.19Å; M201-V256 HydrophobicContact CG-CB 3.93Å; M201-V256 HydrophobicContact CG-CG1 3.83Å; M201-V256 HydrophobicContact CG-CG2 4.43Å; M201-V256 WeakPolarHBondContact O-CG1 3.37Å; K202-V256 HydrophobicContact CG-CG2 3.81Å; Q252-V256 WeakPolarHBondContact O-CG2 3.45Å; Q252-V256 PolarHBondContact O-N 3.47Å; M253-V256 PolarHBondContact O-N 3.31Å; A254-V256 VanDerWaalsContact C-N 3.35Å; A254-V256 PolarHBondContact O-N 3.37Å; V256-F258 VanDerWaalsContact C-N 3.33Å; V256-A259 PolarHBondContact O-N 3.33Å; V256-S260 PolarHBondContact O-N 3.23Å; V256-S260 PolarHBondContact O-OG 3.43Å
257	A	97.9	Very high	97.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-42.6	174.8	0	0	0	0	0	111.2	M201 L230 P234 V237 M253 A254 A259 S260 V261	M201-A257 HydrophobicContact CE-CB 3.87Å; L230-A257 HydrophobicContact CD1-CB 3.47Å; L230-A257 VanDerWaalsContact CD1-CB 3.47Å; L230-A257 HydrophobicContact CD2-CB 4.08Å; L230-A257 HydrophobicContact CG-CB 3.77Å; P234-A257 HydrophobicContact CB-CB 4.14Å; P234-A257 WeakPolarHBondContact CB-O 3.38Å; V237-A257 HydrophobicContact CB-CB 4.02Å; V237-A257 HydrophobicContact CG2-CB 4.01Å; M253-A257 PolarHBondContact O-N 2.92Å; M253-A257 VanDerWaalsContact O-N 3.15Å; A254-A257 PolarHBondContact O-N 3.24Å; A257-A259 VanDerWaalsContact C-N 3.33Å; A257-A259 PolarHBondContact O-N 3.23Å; A257-S260 CarbonylContact O-C 3.59Å; A257-S260 WeakPolarHBondContact O-CA 3.44Å; A257-S260 VanDerWaalsContact O-CB 3.27Å; A257-S260 WeakPolarHBondContact O-CB 3.48Å; A257-S260 PolarHBondContact O-N 3.42Å; A257-V261 PolarHBondContact O-N 2.9Å
258	F	98.6	Very high	97.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59	-41.1	175.7	179.3	-92.7	0	0	0	112.2	A254 A255 V256 S260 V261 A262 A269 M272 I273 L276 L290 I293 V294	A254-F258 WeakPolarHBondContact O-CB 3.41Å; A254-F258 PolarHBondContact O-N 3.07Å; A255-F258 PolarHBondContact O-N 3.12Å; V256-F258 VanDerWaalsContact C-N 3.33Å; F258-S260 PolarHBondContact O-N 3.41Å; F258-V261 WeakPolarHBondContact O-CB 3.48Å; F258-V261 PolarHBondContact O-N 2.9Å; F258-A262 PolarHBondContact O-N 3.26Å; F258-A269 HydrophobicContact CE1-CB 4.44Å; F258-A269 HydrophobicContact CE2-CB 3.87Å; F258-A269 VanDerWaalsContact CE2-O 3.23Å; F258-A269 WeakPolarHBondContact CE2-O 3.39Å; F258-A269 HydrophobicContact CZ-CB 3.79Å; F258-A269 VanDerWaalsContact CZ-O 3.3Å; F258-A269 WeakPolarHBondContact CZ-O 3.26Å; F258-M272 HydrophobicContact CD2-SD 4.25Å; F258-M272 HydrophobicContact CE2-CB 4.3Å; F258-I273 HydrophobicContact CE2-CG1 4.15Å; F258-I273 HydrophobicContact CZ-CD1 4.19Å; F258-I273 HydrophobicContact CZ-CG1 3.63Å; F258-L276 HydrophobicContact CB-CD2 4.19Å; F258-L276 HydrophobicContact CD2-CD2 3.69Å; F258-L276 HydrophobicContact CE2-CD2 4.36Å; F258-L276 HydrophobicContact CG-CD2 4.1Å; F258-L290 HydrophobicContact CB-CD2 4.27Å; F258-L290 HydrophobicContact CD1-CB 4.32Å; F258-L290 HydrophobicContact CD1-CD2 3.53Å; F258-L290 HydrophobicContact CD1-CG 4.46Å; F258-L290 HydrophobicContact CE1-CB 3.83Å; F258-L290 HydrophobicContact CE1-CD2 3.95Å; F258-L290 HydrophobicContact CE1-CG 4.42Å; F258-L290 WeakPolarHBondContact CE1-O 3.35Å; F258-L290 HydrophobicContact CG-CD2 3.88Å; F258-L290 HydrophobicContact CZ-CB 4.21Å; F258-I293 HydrophobicContact CD1-CB 4.34Å; F258-I293 HydrophobicContact CD1-CD1 4.2Å; F258-I293 HydrophobicContact CD1-CG2 3.81Å; F258-I293 HydrophobicContact CE1-CB 4.19Å; F258-I293 HydrophobicContact CE1-CG2 3.83Å; F258-V294 HydrophobicContact CE1-CG2 3.69Å; F258-V294 HydrophobicContact CZ-CG2 3.54Å
259	A	98.1	Very high	97.9	Very high	37 Å²	37	37.3 Å²	37.3	31%	0.306	19%	0.189	S	C	.	.	H	α-helix	trans	-60.7	-34.2	172.3	0	0	0	0	0	113.1	A255 V256 A257 R263 I293	A255-A259 PolarHBondContact O-N 3.01Å; V256-A259 PolarHBondContact O-N 3.33Å; A257-A259 VanDerWaalsContact C-N 3.33Å; A257-A259 PolarHBondContact O-N 3.23Å; A259-R263 WeakPolarHBondContact O-CB 3.46Å; A259-R263 PolarHBondContact O-N 2.75Å; A259-I293 HydrophobicContact CB-CD1 4.05Å; A259-I293 HydrophobicContact CB-CG1 4.28Å; A259-I293 HydrophobicContact CB-CG2 3.87Å
260	S	97.1	Very high	97.9	Very high	49 Å²	49	37.6 Å²	37.6	34%	0.343	19%	0.189	S	C	.	.	H	α-helix	trans	-71.6	-38.5	175.3	-56.5	0	0	0	0	111.8	V256 A257 F258 R263 Q264	V256-S260 PolarHBondContact O-N 3.23Å; V256-S260 PolarHBondContact O-OG 3.43Å; A257-S260 CarbonylContact O-C 3.59Å; A257-S260 WeakPolarHBondContact O-CA 3.44Å; A257-S260 VanDerWaalsContact O-CB 3.27Å; A257-S260 WeakPolarHBondContact O-CB 3.48Å; A257-S260 PolarHBondContact O-N 3.42Å; F258-S260 PolarHBondContact O-N 3.41Å; S260-R263 PolarHBondContact O-N 3.14Å; S260-Q264 WeakPolarHBondContact O-CG 3.28Å; S260-Q264 PolarHBondContact O-N 3.14Å
261	V	98.3	Very high	97.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.9	-51.8	170.9	177.6	0	0	0	0	110.2	P234 V237 A257 F258 R263 Q264 D265 A269 M272	P234-V261 HydrophobicContact CB-CG2 4.09Å; P234-V261 VanDerWaalsContact O-CG2 3.32Å; P234-V261 WeakPolarHBondContact O-CG2 3.24Å; V237-V261 HydrophobicContact CG1-CG2 4.12Å; A257-V261 PolarHBondContact O-N 2.9Å; F258-V261 WeakPolarHBondContact O-CB 3.48Å; F258-V261 PolarHBondContact O-N 2.9Å; V261-R263 PolarHBondContact O-N 3.13Å; V261-R263 VanDerWaalsContact O-N 3.14Å; V261-Q264 WeakPolarHBondContact O-CA 3.46Å; V261-Q264 WeakPolarHBondContact O-CB 3.38Å; V261-Q264 PolarHBondContact O-N 3.14Å; V261-D265 PolarHBondContact O-N 3.3Å; V261-A269 HydrophobicContact CG1-CB 4.26Å; V261-M272 HydrophobicContact CG1-CE 4.38Å
262	A	98.2	Very high	97.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-58.5	-31.5	179.5	0	0	0	0	0	112.6	F258 Q264 A266 A269 I293 V294 R297	F258-A262 PolarHBondContact O-N 3.26Å; A262-Q264 VanDerWaalsContact C-N 3.32Å; A262-A266 PolarHBondContact O-N 3.34Å; A262-A269 HydrophobicContact CB-CB 3.58Å; A262-I293 HydrophobicContact CB-CG2 3.74Å; A262-V294 HydrophobicContact CB-CG2 4.41Å; A262-R297 HydrophobicContact CB-CG 3.97Å; A262-R297 VanDerWaalsContact O-CG 3.32Å; A262-R297 WeakPolarHBondContact O-CG 3.36Å
263	R	96.9	Very high	98	Very high	180 Å²	180	39 Å²	39	68%	0.679	20%	0.202	S	C	*	.	H	α-helix	trans	-66.7	-33.9	174.8	-172.3	177.1	179.1	-81.9	1.8	112.7	A259 S260 V261 R297	A259-R263 WeakPolarHBondContact O-CB 3.46Å; A259-R263 PolarHBondContact O-N 2.75Å; S260-R263 PolarHBondContact O-N 3.14Å; V261-R263 PolarHBondContact O-N 3.13Å; V261-R263 VanDerWaalsContact O-N 3.14Å; R263-R297 PolarHBondContact O-NH2 3.05Å
264	Q	96.7	Very high	98	Very high	122 Å²	122	43.2 Å²	43.2	57%	0.57	23%	0.229	S	C	*	.	H	α-helix	trans	-82.2	-48.5	178.5	-65	174.1	11.4	0	0	111.3	N235 S260 V261 A262	N235-Q264 PolarHBondContact ND2-OE1 3.28Å; S260-Q264 WeakPolarHBondContact O-CG 3.28Å; S260-Q264 PolarHBondContact O-N 3.14Å; V261-Q264 WeakPolarHBondContact O-CA 3.46Å; V261-Q264 WeakPolarHBondContact O-CB 3.38Å; V261-Q264 PolarHBondContact O-N 3.14Å; A262-Q264 VanDerWaalsContact C-N 3.32Å
265	D	97.9	Very high	98	Very high	79 Å²	79	45 Å²	45	42%	0.422	24%	0.241	S	C	.	.			trans	-145.3	105.8	-178.7	-173	-27.3	0	0	0	109.7	V261 E267 N268 A269	V261-D265 PolarHBondContact O-N 3.3Å; D265-E267 VanDerWaalsContact C-N 3.32Å; D265-E267 PolarHBondContact OD1-N 3.13Å; D265-N268 HydrophobicContact CB-CB 3.87Å; D265-N268 VanDerWaalsContact CG-CB 3.49Å; D265-N268 PolarHBondContact OD1-N 3.38Å; D265-A269 PolarHBondContact O-N 3.23Å
266	A	98.1	Very high	98	Very high	19 Å²	19	44.6 Å²	44.6	16%	0.157	24%	0.238	C	C	.	.	H	α-helix	trans	-69.1	-32	-178.4	0	0	0	0	0	112.3	A262 R270 R297 L298	A262-A266 PolarHBondContact O-N 3.34Å; A266-R270 WeakPolarHBondContact O-CB 3.29Å; A266-R270 PolarHBondContact O-N 3.32Å; A266-R297 HydrophobicContact CB-CB 3.68Å; A266-L298 HydrophobicContact CB-CD2 3.82Å; A266-L298 HydrophobicContact CB-CG 4.37Å
267	E	98.2	Very high	98.1	Very high	49 Å²	49	43.9 Å²	43.9	23%	0.229	24%	0.235	C	C	.	.	H	α-helix	trans	-75.1	-43.9	-177.2	-177.3	58	-162.7	0	0	110.8	D265 A269 R270 L271 Q307	D265-E267 VanDerWaalsContact C-N 3.32Å; D265-E267 PolarHBondContact OD1-N 3.13Å; E267-A269 VanDerWaalsContact C-N 3.29Å; E267-A269 PolarHBondContact O-N 2.77Å; E267-R270 VanDerWaalsContact CD-NE 3.35Å; E267-R270 WeakPolarHBondContact O-CB 3.23Å; E267-R270 PolarHBondContact O-N 2.87Å; E267-R270 VanDerWaalsContact O-N 3.15Å; E267-R270 IonicContact OE1-CZ 3.24Å; E267-R270 VanDerWaalsContact OE1-CZ 3.28Å; E267-R270 IonicContact OE1-NE 2.86Å; E267-R270 PolarHBondContact OE1-NE 3.29Å; E267-R270 VanDerWaalsContact OE1-NE 3.14Å; E267-R270 IonicContact OE1-NH2 3.83Å; E267-R270 PolarHBondContact OE1-NH2 3.44Å; E267-R270 IonicContact OE2-CZ 3.75Å; E267-R270 IonicContact OE2-NE 3.24Å; E267-R270 PolarHBondContact OE2-NE 3.39Å; E267-R270 IonicContact OE2-NH2 3.63Å; E267-L271 HydrophobicContact CG-CD1 4.22Å; E267-L271 WeakPolarHBondContact O-CG 3.4Å; E267-L271 PolarHBondContact O-N 3.43Å; E267-Q307 WeakPolarHBondContact OE2-CG 3.44Å; E267-Q307 PolarHBondContact OE2-NE2 3.08Å
268	N	98	Very high	98.1	Very high	71 Å²	71	50.6 Å²	50.6	38%	0.38	27%	0.266	S	S	.	.	H	α-helix	trans	-54.9	-48	172.6	-171.9	-64.1	0	0	0	111.1	D265 R270 L271 M272	D265-N268 HydrophobicContact CB-CB 3.87Å; D265-N268 VanDerWaalsContact CG-CB 3.49Å; D265-N268 PolarHBondContact OD1-N 3.38Å; N268-R270 PolarHBondContact O-N 3.32Å; N268-L271 PolarHBondContact O-N 3.36Å; N268-M272 WeakPolarHBondContact O-CB 3.38Å; N268-M272 PolarHBondContact O-N 2.87Å; N268-M272 VanDerWaalsContact OD1-CE 3.3Å; N268-M272 WeakPolarHBondContact OD1-CE 3.36Å
269	A	98.5	Very high	98.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-42.6	176.8	0	0	0	0	0	112.5	F258 V261 A262 D265 E267 L271 M272 I273 V294	F258-A269 HydrophobicContact CE1-CB 4.44Å; F258-A269 HydrophobicContact CE2-CB 3.87Å; F258-A269 VanDerWaalsContact CE2-O 3.23Å; F258-A269 WeakPolarHBondContact CE2-O 3.39Å; F258-A269 HydrophobicContact CZ-CB 3.79Å; F258-A269 VanDerWaalsContact CZ-O 3.3Å; F258-A269 WeakPolarHBondContact CZ-O 3.26Å; V261-A269 HydrophobicContact CG1-CB 4.26Å; A262-A269 HydrophobicContact CB-CB 3.58Å; D265-A269 PolarHBondContact O-N 3.23Å; E267-A269 VanDerWaalsContact C-N 3.29Å; E267-A269 PolarHBondContact O-N 2.77Å; A269-L271 VanDerWaalsContact C-N 3.34Å; A269-L271 PolarHBondContact O-N 3.31Å; A269-M272 PolarHBondContact O-N 3.37Å; A269-I273 PolarHBondContact O-N 3.4Å; A269-V294 HydrophobicContact CB-CG2 3.85Å
270	R	98.6	Very high	98.1	Very high	26 Å²	26	49.7 Å²	49.7	10%	0.098	26%	0.259	C	S	.	.	H	α-helix	trans	-55.1	-48.9	176.5	-170.6	-172.9	71.8	97.5	-9.2	111.6	A266 E267 N268 M272 V294 E306 W310	A266-R270 WeakPolarHBondContact O-CB 3.29Å; A266-R270 PolarHBondContact O-N 3.32Å; E267-R270 VanDerWaalsContact CD-NE 3.35Å; E267-R270 WeakPolarHBondContact O-CB 3.23Å; E267-R270 PolarHBondContact O-N 2.87Å; E267-R270 VanDerWaalsContact O-N 3.15Å; E267-R270 IonicContact OE1-CZ 3.24Å; E267-R270 VanDerWaalsContact OE1-CZ 3.28Å; E267-R270 IonicContact OE1-NE 2.86Å; E267-R270 PolarHBondContact OE1-NE 3.29Å; E267-R270 VanDerWaalsContact OE1-NE 3.14Å; E267-R270 IonicContact OE1-NH2 3.83Å; E267-R270 PolarHBondContact OE1-NH2 3.44Å; E267-R270 IonicContact OE2-CZ 3.75Å; E267-R270 IonicContact OE2-NE 3.24Å; E267-R270 PolarHBondContact OE2-NE 3.39Å; E267-R270 IonicContact OE2-NH2 3.63Å; N268-R270 PolarHBondContact O-N 3.32Å; R270-M272 VanDerWaalsContact C-N 3.28Å; R270-M272 PolarHBondContact O-N 3.05Å; R270-V294 HydrophobicContact CB-CG1 3.85Å; R270-V294 HydrophobicContact CG-CG1 4.3Å; R270-E306 IonicContact CZ-OE1 2.66Å; R270-E306 IonicContact NH1-OE1 3.45Å; R270-E306 PolarHBondContact NH1-OE1 2.91Å; R270-E306 IonicContact NH2-OE1 2.86Å; R270-E306 PolarHBondContact NH2-OE1 3.19Å; R270-W310 HydrophobicContact CG-CD2 3.75Å; R270-W310 HydrophobicContact CG-CE3 4.07Å; R270-W310 HydrophobicContact CG-CG 4.25Å; R270-W310 HydrophobicContact CG-CH2 4.32Å; R270-W310 HydrophobicContact CG-CZ2 3.96Å; R270-W310 HydrophobicContact CG-CZ3 4.36Å
271	L	98.3	Very high	98.1	Very high	106 Å²	106	53.3 Å²	53.3	56%	0.555	27%	0.27	S	S	*	.	H	α-helix	trans	-71.3	-23.2	-178.2	-64.7	175.4	0	0	0	112.7	E267 N268 A269 P274	E267-L271 HydrophobicContact CG-CD1 4.22Å; E267-L271 WeakPolarHBondContact O-CG 3.4Å; E267-L271 PolarHBondContact O-N 3.43Å; N268-L271 PolarHBondContact O-N 3.36Å; A269-L271 VanDerWaalsContact C-N 3.34Å; A269-L271 PolarHBondContact O-N 3.31Å; L271-P274 WeakPolarHBondContact O-CD 3.45Å
272	M	98.6	Very high	98.1	Very high	20 Å²	20	54.5 Å²	54.5	10%	0.099	28%	0.276	C	S	.	.	H	α-helix	trans	-77.3	-24	-179.9	-170.6	-175.7	-58.8	0	0	113.8	V237 L238 F258 V261 N268 A269 R270 S275 L276	V237-M272 HydrophobicContact CG1-CE 4.17Å; V237-M272 HydrophobicContact CG1-SD 3.51Å; V237-M272 VanDerWaalsContact CG1-SD 3.51Å; L238-M272 HydrophobicContact CB-SD 4.19Å; F258-M272 HydrophobicContact CD2-SD 4.25Å; F258-M272 HydrophobicContact CE2-CB 4.3Å; V261-M272 HydrophobicContact CG1-CE 4.38Å; N268-M272 WeakPolarHBondContact O-CB 3.38Å; N268-M272 PolarHBondContact O-N 2.87Å; N268-M272 VanDerWaalsContact OD1-CE 3.3Å; N268-M272 WeakPolarHBondContact OD1-CE 3.36Å; A269-M272 PolarHBondContact O-N 3.37Å; R270-M272 VanDerWaalsContact C-N 3.28Å; R270-M272 PolarHBondContact O-N 3.05Å; M272-S275 PolarHBondContact O-N 3.4Å; M272-L276 HydrophobicContact CG-CB 4.49Å; M272-L276 PolarHBondContact O-N 3.41Å
273	I	98.6	Very high	98.1	Very high	13 Å²	13	58.3 Å²	58.3	7%	0.067	30%	0.296	C	S	.	.	H	α-helix	trans	-49	-49.6	-173.5	-69	171.5	0	0	0	113.3	F258 A269 S275 L276 A277 I287 L290 R291 V294 W310	F258-I273 HydrophobicContact CE2-CG1 4.15Å; F258-I273 HydrophobicContact CZ-CD1 4.19Å; F258-I273 HydrophobicContact CZ-CG1 3.63Å; A269-I273 PolarHBondContact O-N 3.4Å; I273-S275 VanDerWaalsContact C-N 3.34Å; I273-S275 PolarHBondContact O-N 2.98Å; I273-L276 PolarHBondContact O-N 3.07Å; I273-A277 VanDerWaalsContact O-CB 3.27Å; I273-A277 WeakPolarHBondContact O-CB 3.3Å; I273-A277 PolarHBondContact O-N 3.36Å; I273-I287 HydrophobicContact CG2-CG2 4.09Å; I273-L290 HydrophobicContact CD1-CB 4.35Å; I273-L290 HydrophobicContact CG1-CB 4.14Å; I273-R291 HydrophobicContact CD1-CG 4.3Å; I273-V294 HydrophobicContact CD1-CG2 4.08Å; I273-W310 HydrophobicContact CD1-CH2 3.99Å; I273-W310 HydrophobicContact CD1-CZ2 3.67Å
274	P	98.5	Very high	98.1	Very high	90 Å²	90	55.6 Å²	55.6	58%	0.584	29%	0.291	S	S	*	.	H	α-helix	trans	-61.6	-41.1	-178.7	-23	34.7	0	0	0	113	L271 Q278	L271-P274 WeakPolarHBondContact O-CD 3.45Å; P274-Q278 WeakPolarHBondContact O-CB 3.33Å; P274-Q278 PolarHBondContact O-N 3Å
275	S	98.5	Very high	98.2	Very high	41 Å²	41	56 Å²	56	29%	0.287	30%	0.298	S	S	.	.	H	α-helix	trans	-69.3	-38.6	179.7	-68	0	0	0	0	111.8	M272 I273 A279	M272-S275 PolarHBondContact O-N 3.4Å; I273-S275 VanDerWaalsContact C-N 3.34Å; I273-S275 PolarHBondContact O-N 2.98Å; S275-A279 VanDerWaalsContact O-CB 3.29Å; S275-A279 WeakPolarHBondContact O-CB 3.33Å; S275-A279 PolarHBondContact O-N 2.86Å
276	L	98.4	Very high	98.2	Very high	2 Å²	2	54 Å²	54	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-70	-41.8	177.8	-172.6	57.7	0	0	0	111.4	V237 A241 A254 F258 M272 I273 Q278 A279 Q280 L290	V237-L276 HydrophobicContact CG2-CD1 4.39Å; A241-L276 HydrophobicContact CB-CD1 3.42Å; A241-L276 VanDerWaalsContact CB-CD1 3.42Å; A254-L276 HydrophobicContact CB-CD1 4.41Å; F258-L276 HydrophobicContact CB-CD2 4.19Å; F258-L276 HydrophobicContact CD2-CD2 3.69Å; F258-L276 HydrophobicContact CE2-CD2 4.36Å; F258-L276 HydrophobicContact CG-CD2 4.1Å; M272-L276 HydrophobicContact CG-CB 4.49Å; M272-L276 PolarHBondContact O-N 3.41Å; I273-L276 PolarHBondContact O-N 3.07Å; L276-Q278 PolarHBondContact O-N 2.68Å; L276-A279 PolarHBondContact O-N 3.32Å; L276-Q280 PolarHBondContact O-N 2.93Å; L276-L290 HydrophobicContact CB-CD1 4.49Å; L276-L290 HydrophobicContact CD2-CD1 3.81Å; L276-L290 HydrophobicContact CD2-CD2 4.24Å; L276-L290 HydrophobicContact CG-CD1 4.21Å
277	A	98.4	Very high	98.2	Very high	16 Å²	16	54.1 Å²	54.1	13%	0.132	28%	0.283	C	S	.	.	H	α-helix	trans	-59.7	-44.9	175	0	0	0	0	0	112	I273 Q281 L282 I287	I273-A277 VanDerWaalsContact O-CB 3.27Å; I273-A277 WeakPolarHBondContact O-CB 3.3Å; I273-A277 PolarHBondContact O-N 3.36Å; A277-Q281 WeakPolarHBondContact O-CA 3.41Å; A277-Q281 PolarHBondContact O-N 3.45Å; A277-L282 HydrophobicContact CB-CB 4.44Å; A277-L282 HydrophobicContact CB-CD1 4.4Å; A277-L282 PolarHBondContact O-N 2.81Å; A277-L282 VanDerWaalsContact O-N 3.09Å; A277-I287 HydrophobicContact CB-CD1 4.03Å; A277-I287 HydrophobicContact CB-CG1 3.91Å
278	Q	98.3	Very high	98.2	Very high	142 Å²	142	52.8 Å²	52.8	66%	0.664	28%	0.277	S	S	*	.	H	α-helix	trans	-63.7	-48.1	175.8	-174	-159.5	52.2	0	0	111.9	P274 L276 Q280 Q281	P274-Q278 WeakPolarHBondContact O-CB 3.33Å; P274-Q278 PolarHBondContact O-N 3Å; L276-Q278 PolarHBondContact O-N 2.68Å; Q278-Q280 VanDerWaalsContact C-N 3.28Å; Q278-Q280 PolarHBondContact O-N 3.37Å; Q278-Q281 PolarHBondContact O-N 3.33Å; Q278-Q281 PolarHBondContact O-NE2 3.11Å
279	A	98	Very high	98.2	Very high	17 Å²	17	54.1 Å²	54.1	14%	0.14	28%	0.281	C	S	.	.	H	α-helix	trans	-63.3	-32.6	-174.2	0	0	0	0	0	113.2	A241 R242 S275 L276 Q281	A241-A279 HydrophobicContact CB-CB 4.07Å; R242-A279 HydrophobicContact CG-CB 3.87Å; S275-A279 VanDerWaalsContact O-CB 3.29Å; S275-A279 WeakPolarHBondContact O-CB 3.33Å; S275-A279 PolarHBondContact O-N 2.86Å; L276-A279 PolarHBondContact O-N 3.32Å; A279-Q281 VanDerWaalsContact C-NE2 3.31Å; A279-Q281 PolarHBondContact O-NE2 3.2Å
280	Q	97.7	Very high	98.2	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-110.2	5.4	-177.7	-68.5	-76	-68.2	0	0	114.2	A241 A246 T250 R251 L276 Q278 L282	A241-Q280 HydrophobicContact CB-CG 3.79Å; A241-Q280 PolarHBondContact O-NE2 3.27Å; A246-Q280 HydrophobicContact CB-CB 4.32Å; T250-Q280 PolarHBondContact OG1-OE1 3.32Å; R251-Q280 HydrophobicContact CG-CB 4.07Å; R251-Q280 PolarHBondContact NE-O 2.85Å; R251-Q280 PolarHBondContact NH2-O 3.03Å; L276-Q280 PolarHBondContact O-N 2.93Å; Q278-Q280 VanDerWaalsContact C-N 3.28Å; Q278-Q280 PolarHBondContact O-N 3.37Å; Q280-L282 VanDerWaalsContact C-N 3.29Å; Q280-L282 HydrophobicContact CB-CD2 3.65Å; Q280-L282 HydrophobicContact CB-CG 4.08Å; Q280-L282 PolarHBondContact O-N 3.43Å
281	Q	97.9	Very high	98.3	Very high	124 Å²	124	54.5 Å²	54.5	58%	0.579	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	52.8	-177.4	-55.8	77.7	54.1	0	0	111.2	A277 Q278 A279	A277-Q281 WeakPolarHBondContact O-CA 3.41Å; A277-Q281 PolarHBondContact O-N 3.45Å; Q278-Q281 PolarHBondContact O-N 3.33Å; Q278-Q281 PolarHBondContact O-NE2 3.11Å; A279-Q281 VanDerWaalsContact C-NE2 3.31Å; A279-Q281 PolarHBondContact O-NE2 3.2Å
282	L	98.2	Very high	98.3	Very high	25 Å²	25	50.5 Å²	50.5	13%	0.131	26%	0.262	C	S	.	.			trans	-67.1	142.1	-175.3	-60.9	-175.2	0	0	0	111	R251 A277 Q280 Q286 I287 L290	R251-L282 HydrophobicContact CB-CD2 4.23Å; R251-L282 HydrophobicContact CG-CD2 3.62Å; A277-L282 HydrophobicContact CB-CB 4.44Å; A277-L282 HydrophobicContact CB-CD1 4.4Å; A277-L282 PolarHBondContact O-N 2.81Å; A277-L282 VanDerWaalsContact O-N 3.09Å; Q280-L282 VanDerWaalsContact C-N 3.29Å; Q280-L282 HydrophobicContact CB-CD2 3.65Å; Q280-L282 HydrophobicContact CB-CG 4.08Å; Q280-L282 PolarHBondContact O-N 3.43Å; L282-Q286 HydrophobicContact CB-CB 3.92Å; L282-Q286 HydrophobicContact CD1-CB 4.4Å; L282-Q286 HydrophobicContact CD2-CB 4.14Å; L282-Q286 HydrophobicContact CG-CB 4.37Å; L282-I287 HydrophobicContact CB-CD1 4.42Å; L282-I287 HydrophobicContact CB-CG1 3.73Å; L282-L290 HydrophobicContact CD1-CD1 3.59Å; L282-L290 HydrophobicContact CD1-CG 4.43Å
283	N	98.1	Very high	98.3	Very high	81 Å²	81	51 Å²	51	43%	0.433	27%	0.265	S	S	.	.			trans	-79.2	172.5	170.1	67.2	28.7	0	0	0	111.4	D285 Q286 I287	N283-D285 VanDerWaalsContact C-N 3.31Å; N283-D285 PolarHBondContact O-N 3.19Å; N283-D285 PolarHBondContact OD1-N 2.8Å; N283-Q286 VanDerWaalsContact N-OE1 3.1Å; N283-Q286 PolarHBondContact O-N 3.45Å; N283-Q286 WeakPolarHBondContact OD1-CB 3.44Å; N283-Q286 VanDerWaalsContact OD1-CG 3.27Å; N283-Q286 WeakPolarHBondContact OD1-CG 3.48Å; N283-Q286 PolarHBondContact OD1-N 3.39Å; N283-I287 VanDerWaalsContact O-CG1 3.31Å; N283-I287 WeakPolarHBondContact O-CG1 3.5Å; N283-I287 PolarHBondContact O-N 3.4Å
284	E	97.6	Very high	98.3	Very high	123 Å²	123	50.3 Å²	50.3	58%	0.575	26%	0.261	S	S	*	.	H	α-helix	trans	-59.7	-38.1	-176.6	-76	-57.2	133.8	0	0	113.5	I287 Q288 R291	E284-I287 PolarHBondContact O-N 3.14Å; E284-Q288 WeakPolarHBondContact O-CB 3.38Å; E284-Q288 PolarHBondContact O-N 3.32Å; E284-R291 IonicContact OE2-NH1 3.95Å; E284-R291 IonicContact OE2-NH2 3.84Å
285	D	97.4	Very high	98.3	Very high	132 Å²	132	46 Å²	46	71%	0.706	23%	0.234	S	C	*	.	H	α-helix	trans	-64.6	-43.9	178.5	-66.6	-20.6	0	0	0	111.3	N283 Q288 E289	N283-D285 VanDerWaalsContact C-N 3.31Å; N283-D285 PolarHBondContact O-N 3.19Å; N283-D285 PolarHBondContact OD1-N 2.8Å; D285-Q288 PolarHBondContact O-N 2.93Å; D285-E289 PolarHBondContact O-N 3.35Å
286	Q	98.2	Very high	98.3	Very high	36 Å²	36	49 Å²	49	17%	0.168	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-40.3	176.7	-73.1	166.9	-17.3	0	0	111.6	L282 N283 Q288 E289 L290	L282-Q286 HydrophobicContact CB-CB 3.92Å; L282-Q286 HydrophobicContact CD1-CB 4.4Å; L282-Q286 HydrophobicContact CD2-CB 4.14Å; L282-Q286 HydrophobicContact CG-CB 4.37Å; N283-Q286 VanDerWaalsContact N-OE1 3.1Å; N283-Q286 PolarHBondContact O-N 3.45Å; N283-Q286 WeakPolarHBondContact OD1-CB 3.44Å; N283-Q286 VanDerWaalsContact OD1-CG 3.27Å; N283-Q286 WeakPolarHBondContact OD1-CG 3.48Å; N283-Q286 PolarHBondContact OD1-N 3.39Å; Q286-Q288 VanDerWaalsContact C-N 3.31Å; Q286-E289 PolarHBondContact O-N 3.43Å; Q286-L290 WeakPolarHBondContact O-CG 3.42Å; Q286-L290 PolarHBondContact O-N 3.36Å
287	I	98.6	Very high	98.3	Very high	21 Å²	21	54.6 Å²	54.6	11%	0.108	26%	0.26	C	S	.	.	H	α-helix	trans	-65.8	-39.4	174.7	-60.1	167.4	0	0	0	110	I273 A277 L282 N283 E284 E289 L290 R291	I273-I287 HydrophobicContact CG2-CG2 4.09Å; A277-I287 HydrophobicContact CB-CD1 4.03Å; A277-I287 HydrophobicContact CB-CG1 3.91Å; L282-I287 HydrophobicContact CB-CD1 4.42Å; L282-I287 HydrophobicContact CB-CG1 3.73Å; N283-I287 VanDerWaalsContact O-CG1 3.31Å; N283-I287 WeakPolarHBondContact O-CG1 3.5Å; N283-I287 PolarHBondContact O-N 3.4Å; E284-I287 PolarHBondContact O-N 3.14Å; I287-E289 VanDerWaalsContact C-N 3.35Å; I287-L290 PolarHBondContact O-N 3.27Å; I287-R291 VanDerWaalsContact CG2-CZ 3.48Å; I287-R291 VanDerWaalsContact CG2-NH2 3.26Å; I287-R291 WeakPolarHBondContact O-CG 3.45Å; I287-R291 PolarHBondContact O-N 3.31Å
288	Q	98.6	Very high	98.3	Very high	21 Å²	21	54.1 Å²	54.1	10%	0.098	25%	0.254	C	S	.	.	H	α-helix	trans	-64.9	-36.9	177.2	-170.7	59.5	43.6	0	0	112	E284 D285 Q286 L290 R291 D292 A314	E284-Q288 WeakPolarHBondContact O-CB 3.38Å; E284-Q288 PolarHBondContact O-N 3.32Å; D285-Q288 PolarHBondContact O-N 2.93Å; Q286-Q288 VanDerWaalsContact C-N 3.31Å; Q288-L290 VanDerWaalsContact C-N 3.33Å; Q288-L290 PolarHBondContact O-N 3.19Å; Q288-R291 WeakPolarHBondContact O-CB 3.34Å; Q288-R291 PolarHBondContact O-N 2.86Å; Q288-R291 VanDerWaalsContact O-N 3.15Å; Q288-D292 PolarHBondContact NE2-OD1 3.4Å; Q288-D292 WeakPolarHBondContact O-CB 3.33Å; Q288-D292 PolarHBondContact O-N 3.13Å; Q288-A314 PolarHBondContact NE2-O 3.42Å
289	E	98.2	Very high	98.2	Very high	99 Å²	99	48.2 Å²	48.2	46%	0.463	23%	0.227	S	C	.	.	H	α-helix	trans	-58.5	-44.2	172.3	-174.2	180	-166.7	0	0	111.6	D285 Q286 I287 R291 D292 I293	D285-E289 PolarHBondContact O-N 3.35Å; Q286-E289 PolarHBondContact O-N 3.43Å; I287-E289 VanDerWaalsContact C-N 3.35Å; E289-R291 VanDerWaalsContact C-N 3.33Å; E289-R291 PolarHBondContact O-N 2.9Å; E289-D292 PolarHBondContact O-N 3.25Å; E289-I293 HydrophobicContact CG-CD1 4.21Å; E289-I293 VanDerWaalsContact O-CG1 3.31Å; E289-I293 WeakPolarHBondContact O-CG1 3.26Å; E289-I293 PolarHBondContact O-N 3.08Å
290	L	98.7	Very high	98	Very high	4 Å²	4	49 Å²	49	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-40.2	175.1	-57.5	-177.8	0	0	0	111.8	A255 F258 I273 L276 L282 Q286 I287 Q288 D292 I293 V294	A255-L290 HydrophobicContact CB-CD2 4.4Å; F258-L290 HydrophobicContact CB-CD2 4.27Å; F258-L290 HydrophobicContact CD1-CB 4.32Å; F258-L290 HydrophobicContact CD1-CD2 3.53Å; F258-L290 HydrophobicContact CD1-CG 4.46Å; F258-L290 HydrophobicContact CE1-CB 3.83Å; F258-L290 HydrophobicContact CE1-CD2 3.95Å; F258-L290 HydrophobicContact CE1-CG 4.42Å; F258-L290 WeakPolarHBondContact CE1-O 3.35Å; F258-L290 HydrophobicContact CG-CD2 3.88Å; F258-L290 HydrophobicContact CZ-CB 4.21Å; I273-L290 HydrophobicContact CD1-CB 4.35Å; I273-L290 HydrophobicContact CG1-CB 4.14Å; L276-L290 HydrophobicContact CB-CD1 4.49Å; L276-L290 HydrophobicContact CD2-CD1 3.81Å; L276-L290 HydrophobicContact CD2-CD2 4.24Å; L276-L290 HydrophobicContact CG-CD1 4.21Å; L282-L290 HydrophobicContact CD1-CD1 3.59Å; L282-L290 HydrophobicContact CD1-CG 4.43Å; Q286-L290 WeakPolarHBondContact O-CG 3.42Å; Q286-L290 PolarHBondContact O-N 3.36Å; I287-L290 PolarHBondContact O-N 3.27Å; Q288-L290 VanDerWaalsContact C-N 3.33Å; Q288-L290 PolarHBondContact O-N 3.19Å; L290-D292 VanDerWaalsContact C-N 3.35Å; L290-I293 PolarHBondContact O-N 2.93Å; L290-V294 PolarHBondContact O-N 3.02Å
291	R	98.8	Very high	97.7	Very high	30 Å²	30	55 Å²	55	11%	0.113	27%	0.269	C	S	.	.	H	α-helix	trans	-62.3	-44.1	175.9	-67.7	177.8	-163.6	128.5	2.6	111.2	I273 E284 I287 Q288 E289 V294 A295 W310 A314	I273-R291 HydrophobicContact CD1-CG 4.3Å; E284-R291 IonicContact OE2-NH1 3.95Å; E284-R291 IonicContact OE2-NH2 3.84Å; I287-R291 VanDerWaalsContact CG2-CZ 3.48Å; I287-R291 VanDerWaalsContact CG2-NH2 3.26Å; I287-R291 WeakPolarHBondContact O-CG 3.45Å; I287-R291 PolarHBondContact O-N 3.31Å; Q288-R291 WeakPolarHBondContact O-CB 3.34Å; Q288-R291 PolarHBondContact O-N 2.86Å; Q288-R291 VanDerWaalsContact O-N 3.15Å; E289-R291 VanDerWaalsContact C-N 3.33Å; E289-R291 PolarHBondContact O-N 2.9Å; R291-V294 PolarHBondContact O-N 3.34Å; R291-A295 WeakPolarHBondContact O-CB 3.31Å; R291-A295 PolarHBondContact O-N 3.05Å; R291-W310 HydrophobicContact CB-CH2 4.28Å; R291-W310 HydrophobicContact CG-CH2 4.48Å; R291-W310 HydrophobicContact CG-CZ2 4.23Å; R291-A314 HydrophobicContact CB-CB 3.93Å
292	D	98.8	Very high	97.5	Very high	22 Å²	22	55.3 Å²	55.3	12%	0.118	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-43	179.2	-75.2	7.7	0	0	0	111.3	Q288 E289 L290 V294 A295 W296 S318 S320 L323	Q288-D292 PolarHBondContact NE2-OD1 3.4Å; Q288-D292 WeakPolarHBondContact O-CB 3.33Å; Q288-D292 PolarHBondContact O-N 3.13Å; E289-D292 PolarHBondContact O-N 3.25Å; L290-D292 VanDerWaalsContact C-N 3.35Å; D292-V294 PolarHBondContact O-N 3.29Å; D292-A295 PolarHBondContact O-N 3.19Å; D292-W296 VanDerWaalsContact O-CD1 3.25Å; D292-W296 PolarHBondContact O-N 2.92Å; D292-S318 VanDerWaalsContact OD1-CB 3.23Å; D292-S318 WeakPolarHBondContact OD1-CB 3.42Å; D292-S318 PolarHBondContact OD1-OG 3.25Å; D292-S318 VanDerWaalsContact OD1-OG 3.07Å; D292-S318 PolarHBondContact OD2-OG 2.98Å; D292-S320 WeakPolarHBondContact OD2-CB 3.5Å; D292-L323 HydrophobicContact CB-CD2 3.79Å
293	I	98.6	Very high	97.4	Very high	30 Å²	30	55.5 Å²	55.5	15%	0.154	28%	0.277	C	S	.	.	H	α-helix	trans	-55.4	-49.7	174.8	-76	163.7	0	0	0	111.2	F258 A259 A262 E289 L290 W296 R297	F258-I293 HydrophobicContact CD1-CB 4.34Å; F258-I293 HydrophobicContact CD1-CD1 4.2Å; F258-I293 HydrophobicContact CD1-CG2 3.81Å; F258-I293 HydrophobicContact CE1-CB 4.19Å; F258-I293 HydrophobicContact CE1-CG2 3.83Å; A259-I293 HydrophobicContact CB-CD1 4.05Å; A259-I293 HydrophobicContact CB-CG1 4.28Å; A259-I293 HydrophobicContact CB-CG2 3.87Å; A262-I293 HydrophobicContact CB-CG2 3.74Å; E289-I293 HydrophobicContact CG-CD1 4.21Å; E289-I293 VanDerWaalsContact O-CG1 3.31Å; E289-I293 WeakPolarHBondContact O-CG1 3.26Å; E289-I293 PolarHBondContact O-N 3.08Å; L290-I293 PolarHBondContact O-N 2.93Å; I293-W296 WeakPolarHBondContact O-CB 3.46Å; I293-W296 PolarHBondContact O-N 3.17Å; I293-R297 WeakPolarHBondContact O-CG 3.25Å
294	V	98.8	Very high	97.4	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-69.4	-40.4	179.7	176.2	0	0	0	0	110.9	F258 A262 A269 R270 I273 L290 R291 D292 W296 R297 L298 W310	F258-V294 HydrophobicContact CE1-CG2 3.69Å; F258-V294 HydrophobicContact CZ-CG2 3.54Å; A262-V294 HydrophobicContact CB-CG2 4.41Å; A269-V294 HydrophobicContact CB-CG2 3.85Å; R270-V294 HydrophobicContact CB-CG1 3.85Å; R270-V294 HydrophobicContact CG-CG1 4.3Å; I273-V294 HydrophobicContact CD1-CG2 4.08Å; L290-V294 PolarHBondContact O-N 3.02Å; R291-V294 PolarHBondContact O-N 3.34Å; D292-V294 PolarHBondContact O-N 3.29Å; V294-W296 PolarHBondContact O-N 2.79Å; V294-R297 WeakPolarHBondContact O-CA 3.4Å; V294-R297 WeakPolarHBondContact O-CB 3.47Å; V294-R297 PolarHBondContact O-N 3.18Å; V294-L298 HydrophobicContact CG1-CD1 3.93Å; V294-L298 HydrophobicContact CG1-CG 4.31Å; V294-L298 PolarHBondContact O-N 3.28Å; V294-W310 HydrophobicContact CB-CH2 3.65Å; V294-W310 HydrophobicContact CB-CZ3 3.8Å; V294-W310 HydrophobicContact CG1-CE3 4.32Å; V294-W310 HydrophobicContact CG1-CH2 3.67Å; V294-W310 HydrophobicContact CG1-CZ3 3.45Å; V294-W310 VanDerWaalsContact CG1-CZ3 3.45Å; V294-W310 HydrophobicContact CG2-CH2 4.45Å
295	A	98.7	Very high	97.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-58.4	-36.3	178.2	0	0	0	0	0	112.2	R291 D292 R297 L298 R311 A314 I315 L323	R291-A295 WeakPolarHBondContact O-CB 3.31Å; R291-A295 PolarHBondContact O-N 3.05Å; D292-A295 PolarHBondContact O-N 3.19Å; A295-R297 PolarHBondContact O-N 3.47Å; A295-L298 PolarHBondContact O-N 3.39Å; A295-R311 HydrophobicContact CB-CG 4.14Å; A295-A314 HydrophobicContact CB-CB 4.41Å; A295-I315 HydrophobicContact CB-CD1 4.39Å; A295-I315 HydrophobicContact CB-CG1 3.98Å; A295-L323 HydrophobicContact CB-CD1 4.13Å; A295-L323 HydrophobicContact CB-CD2 4.09Å
296	W	98.3	Very high	97.5	Very high	104 Å²	104	55.7 Å²	55.7	39%	0.394	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.3	172.9	-92.9	107.9	0	0	0	114.2	D292 I293 V294 L323 R326	D292-W296 VanDerWaalsContact O-CD1 3.25Å; D292-W296 PolarHBondContact O-N 2.92Å; I293-W296 WeakPolarHBondContact O-CB 3.46Å; I293-W296 PolarHBondContact O-N 3.17Å; V294-W296 PolarHBondContact O-N 2.79Å; W296-L323 HydrophobicContact CD2-CD1 4.08Å; W296-L323 HydrophobicContact CG-CD1 3.96Å; W296-L323 HydrophobicContact CZ2-CB 4.34Å; W296-R326 HydrophobicContact CE3-CB 4.45Å; W296-R326 HydrophobicContact CE3-CG 4.06Å; W296-R326 HydrophobicContact CH2-CB 3.69Å; W296-R326 HydrophobicContact CH2-CG 4.06Å; W296-R326 HydrophobicContact CZ2-CB 4.38Å; W296-R326 HydrophobicContact CZ3-CB 3.74Å; W296-R326 HydrophobicContact CZ3-CG 3.55Å
297	R	98.1	Very high	97.5	Very high	119 Å²	119	55.2 Å²	55.2	45%	0.449	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-23.2	-177.9	-52.2	-53.3	-54.8	169	-1.7	112.4	A262 R263 A266 I293 V294 A295 M299	A262-R297 HydrophobicContact CB-CG 3.97Å; A262-R297 VanDerWaalsContact O-CG 3.32Å; A262-R297 WeakPolarHBondContact O-CG 3.36Å; R263-R297 PolarHBondContact O-NH2 3.05Å; A266-R297 HydrophobicContact CB-CB 3.68Å; I293-R297 WeakPolarHBondContact O-CG 3.25Å; V294-R297 WeakPolarHBondContact O-CA 3.4Å; V294-R297 WeakPolarHBondContact O-CB 3.47Å; V294-R297 PolarHBondContact O-N 3.18Å; A295-R297 PolarHBondContact O-N 3.47Å; R297-M299 PolarHBondContact O-N 2.91Å; R297-M299 VanDerWaalsContact O-N 3.16Å
298	L	98.4	Very high	97.5	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.026	28%	0.283	C	S	.	.	S	Bend	trans	-87.1	35.8	175.6	-60.4	176.1	0	0	0	112.7	A266 V294 A295 V303 Q307 W310 R311	A266-L298 HydrophobicContact CB-CD2 3.82Å; A266-L298 HydrophobicContact CB-CG 4.37Å; V294-L298 HydrophobicContact CG1-CD1 3.93Å; V294-L298 HydrophobicContact CG1-CG 4.31Å; V294-L298 PolarHBondContact O-N 3.28Å; A295-L298 PolarHBondContact O-N 3.39Å; L298-V303 HydrophobicContact CB-CG1 4.45Å; L298-V303 HydrophobicContact CB-CG2 4.29Å; L298-V303 HydrophobicContact CD2-CG2 4.45Å; L298-Q307 HydrophobicContact CD1-CB 4.26Å; L298-Q307 HydrophobicContact CD2-CB 4.25Å; L298-Q307 HydrophobicContact CD2-CG 4.38Å; L298-W310 HydrophobicContact CD1-CE3 3.72Å; L298-W310 HydrophobicContact CD1-CZ3 3.98Å; L298-R311 HydrophobicContact CB-CB 4.17Å; L298-R311 HydrophobicContact CB-CG 4.17Å; L298-R311 HydrophobicContact CD1-CB 4.18Å; L298-R311 WeakPolarHBondContact O-CD 3.17Å; L298-R311 PolarHBondContact O-NH1 3.16Å
299	M	97.4	Very high	97.4	Very high	18 Å²	18	62.3 Å²	62.3	9%	0.089	31%	0.313	C	S	.	.			trans	-100.3	5.2	179	-65.4	-69.1	-178.3	0	0	113.5	R297 I315 L323 R326 R327 M330	R297-M299 PolarHBondContact O-N 2.91Å; R297-M299 VanDerWaalsContact O-N 3.16Å; M299-I315 HydrophobicContact CE-CD1 3.74Å; M299-L323 HydrophobicContact CE-CD1 3.54Å; M299-R326 HydrophobicContact CE-CB 4.26Å; M299-R326 HydrophobicContact CE-CG 3.85Å; M299-R326 HydrophobicContact CG-CG 3.91Å; M299-R326 HydrophobicContact SD-CG 3.85Å; M299-R327 HydrophobicContact CE-CB 4.38Å; M299-M330 VanDerWaalsContact CA-CE 3.42Å; M299-M330 HydrophobicContact CB-CE 4.09Å; M299-M330 HydrophobicContact CG-CE 4.48Å; M299-M330 WeakPolarHBondContact O-CE 3.37Å; M299-M330 HydrophobicContact SD-CE 3.64Å; M299-M330 HydrophobicContact SD-SD 4.47Å
300	G	92.9	Very high	97.5	Very high	34 Å²	34	60.1 Å²	60.1	35%	0.351	30%	0.3	S	S	.	.	S	Bend	trans	-79.5	174.6	-179.7	0	0	0	0	0	113.8	D302	G300-D302 WeakPolarHBondContact CA-OD1 3.41Å
301	N	90.9	Very high	97.5	Very high	127 Å²	127	60.6 Å²	60.6	68%	0.679	30%	0.302	S	S	*	.	S	Bend	trans	-89.2	-8.3	175.7	58	-15.5	0	0	0	113	N601	N301-N601 PolarHBondContact ND2-OD1 2.91Å
302	D	94.1	Very high	97.5	Very high	130 Å²	130	60.9 Å²	60.9	70%	0.695	31%	0.305	S	S	*	.	S	Bend	trans	-93.7	-0.3	-178.4	57.5	-47.7	0	0	0	113.9	G300	G300-D302 WeakPolarHBondContact CA-OD1 3.41Å
303	V	97.3	Very high	97.4	Very high	30 Å²	30	63.9 Å²	63.9	18%	0.182	32%	0.322	C	S	.	.			trans	-69.5	132.4	-176.1	179.7	0	0	0	0	111.1	L298 Q307 A308	L298-V303 HydrophobicContact CB-CG1 4.45Å; L298-V303 HydrophobicContact CB-CG2 4.29Å; L298-V303 HydrophobicContact CD2-CG2 4.45Å; V303-Q307 HydrophobicContact CG1-CB 3.51Å; V303-A308 HydrophobicContact CG1-CB 4.13Å
304	T	98	Very high	97.4	Very high	71 Å²	71	62.5 Å²	62.5	44%	0.436	31%	0.314	S	S	.	.			trans	-75.6	163.9	177.2	72.4	0	0	0	0	112.4	E306 Q307 A308	T304-E306 VanDerWaalsContact C-N 3.3Å; T304-E306 PolarHBondContact O-N 3.42Å; T304-Q307 VanDerWaalsContact N-OE1 3.09Å; T304-Q307 PolarHBondContact O-N 3.19Å; T304-Q307 WeakPolarHBondContact OG1-CG 3.31Å; T304-Q307 PolarHBondContact OG1-N 3.42Å; T304-A308 WeakPolarHBondContact O-CB 3.27Å; T304-A308 PolarHBondContact O-N 3.01Å
305	D	97.4	Very high	97.4	Very high	148 Å²	148	62.6 Å²	62.6	79%	0.791	32%	0.315	S	S	*	.	H	α-helix	trans	-59.8	-38.6	177.9	-68.5	-31.1	0	0	0	112.9	A308 K309	D305-A308 PolarHBondContact O-N 3.25Å; D305-K309 WeakPolarHBondContact O-CB 3.4Å; D305-K309 PolarHBondContact O-N 3.19Å
306	E	98	Very high	97.4	Very high	121 Å²	121	66.2 Å²	66.2	57%	0.565	33%	0.333	S	S	*	.	H	α-helix	trans	-62.3	-48.5	175.6	-171.9	-165.2	155.2	0	0	110.7	R270 T304 A308 K309 W310	R270-E306 IonicContact CZ-OE1 2.66Å; R270-E306 IonicContact NH1-OE1 3.45Å; R270-E306 PolarHBondContact NH1-OE1 2.91Å; R270-E306 IonicContact NH2-OE1 2.86Å; R270-E306 PolarHBondContact NH2-OE1 3.19Å; T304-E306 VanDerWaalsContact C-N 3.3Å; T304-E306 PolarHBondContact O-N 3.42Å; E306-A308 VanDerWaalsContact C-N 3.34Å; E306-A308 PolarHBondContact O-N 3Å; E306-K309 PolarHBondContact O-N 3.27Å; E306-W310 WeakPolarHBondContact O-CB 3.27Å; E306-W310 PolarHBondContact O-N 3.23Å
307	Q	98.4	Very high	97.4	Very high	26 Å²	26	66.2 Å²	66.2	12%	0.121	33%	0.333	C	S	.	.	H	α-helix	trans	-64.2	-39.6	178.8	-71.8	174.9	-27.5	0	0	111.8	E267 L298 V303 T304 W310 R311	E267-Q307 WeakPolarHBondContact OE2-CG 3.44Å; E267-Q307 PolarHBondContact OE2-NE2 3.08Å; L298-Q307 HydrophobicContact CD1-CB 4.26Å; L298-Q307 HydrophobicContact CD2-CB 4.25Å; L298-Q307 HydrophobicContact CD2-CG 4.38Å; V303-Q307 HydrophobicContact CG1-CB 3.51Å; T304-Q307 VanDerWaalsContact N-OE1 3.09Å; T304-Q307 PolarHBondContact O-N 3.19Å; T304-Q307 WeakPolarHBondContact OG1-CG 3.31Å; T304-Q307 PolarHBondContact OG1-N 3.42Å; Q307-W310 PolarHBondContact O-N 3.41Å; Q307-R311 VanDerWaalsContact O-CB 3.25Å; Q307-R311 WeakPolarHBondContact O-CB 3.4Å; Q307-R311 PolarHBondContact O-N 3.24Å
308	A	98.2	Very high	97.4	Very high	23 Å²	23	60.8 Å²	60.8	19%	0.19	31%	0.313	C	S	.	.	H	α-helix	trans	-64.4	-44.7	177.9	0	0	0	0	0	111.6	V303 T304 D305 E306 R311 D312	V303-A308 HydrophobicContact CG1-CB 4.13Å; T304-A308 WeakPolarHBondContact O-CB 3.27Å; T304-A308 PolarHBondContact O-N 3.01Å; D305-A308 PolarHBondContact O-N 3.25Å; E306-A308 VanDerWaalsContact C-N 3.34Å; E306-A308 PolarHBondContact O-N 3Å; A308-R311 PolarHBondContact O-N 3.26Å; A308-D312 WeakPolarHBondContact O-CB 3.4Å; A308-D312 PolarHBondContact O-N 3.08Å
309	K	98.4	Very high	97.3	Very high	167 Å²	167	68.8 Å²	68.8	73%	0.726	35%	0.35	S	S	*	.	H	α-helix	trans	-62.2	-43.7	174.9	-175.4	178.9	-179.9	-179.6	0	111.4	D305 E306 N313	D305-K309 WeakPolarHBondContact O-CB 3.4Å; D305-K309 PolarHBondContact O-N 3.19Å; E306-K309 PolarHBondContact O-N 3.27Å; K309-N313 WeakPolarHBondContact O-CB 3.46Å; K309-N313 PolarHBondContact O-N 2.91Å; K309-N313 VanDerWaalsContact O-N 3.08Å
310	W	98.7	Very high	97.4	Very high	53 Å²	53	69.4 Å²	69.4	20%	0.201	36%	0.357	C	S	.	.	H	α-helix	trans	-61.5	-48.4	176.6	-178.2	94	0	0	0	111.6	R270 I273 R291 V294 L298 E306 Q307 D312 N313 A314	R270-W310 HydrophobicContact CG-CD2 3.75Å; R270-W310 HydrophobicContact CG-CE3 4.07Å; R270-W310 HydrophobicContact CG-CG 4.25Å; R270-W310 HydrophobicContact CG-CH2 4.32Å; R270-W310 HydrophobicContact CG-CZ2 3.96Å; R270-W310 HydrophobicContact CG-CZ3 4.36Å; I273-W310 HydrophobicContact CD1-CH2 3.99Å; I273-W310 HydrophobicContact CD1-CZ2 3.67Å; R291-W310 HydrophobicContact CB-CH2 4.28Å; R291-W310 HydrophobicContact CG-CH2 4.48Å; R291-W310 HydrophobicContact CG-CZ2 4.23Å; V294-W310 HydrophobicContact CB-CH2 3.65Å; V294-W310 HydrophobicContact CB-CZ3 3.8Å; V294-W310 HydrophobicContact CG1-CE3 4.32Å; V294-W310 HydrophobicContact CG1-CH2 3.67Å; V294-W310 HydrophobicContact CG1-CZ3 3.45Å; V294-W310 VanDerWaalsContact CG1-CZ3 3.45Å; V294-W310 HydrophobicContact CG2-CH2 4.45Å; L298-W310 HydrophobicContact CD1-CE3 3.72Å; L298-W310 HydrophobicContact CD1-CZ3 3.98Å; E306-W310 WeakPolarHBondContact O-CB 3.27Å; E306-W310 PolarHBondContact O-N 3.23Å; Q307-W310 PolarHBondContact O-N 3.41Å; W310-D312 PolarHBondContact O-N 3.07Å; W310-N313 PolarHBondContact O-N 3.23Å; W310-A314 HydrophobicContact CH2-CB 4.21Å; W310-A314 HydrophobicContact CZ3-CB 4.18Å; W310-A314 PolarHBondContact O-N 3.49Å
311	R	98.7	Very high	97.6	Very high	15 Å²	15	70.1 Å²	70.1	6%	0.057	35%	0.354	C	S	.	.	H	α-helix	trans	-56.9	-50.4	178	174.7	-155.6	69.3	-147.8	-6.3	110.8	A295 L298 Q307 A308 N313 A314 I315 M330	A295-R311 HydrophobicContact CB-CG 4.14Å; L298-R311 HydrophobicContact CB-CB 4.17Å; L298-R311 HydrophobicContact CB-CG 4.17Å; L298-R311 HydrophobicContact CD1-CB 4.18Å; L298-R311 WeakPolarHBondContact O-CD 3.17Å; L298-R311 PolarHBondContact O-NH1 3.16Å; Q307-R311 VanDerWaalsContact O-CB 3.25Å; Q307-R311 WeakPolarHBondContact O-CB 3.4Å; Q307-R311 PolarHBondContact O-N 3.24Å; A308-R311 PolarHBondContact O-N 3.26Å; R311-N313 VanDerWaalsContact C-N 3.3Å; R311-N313 PolarHBondContact O-N 3.4Å; R311-A314 WeakPolarHBondContact O-CB 3.38Å; R311-A314 PolarHBondContact O-N 2.93Å; R311-A314 VanDerWaalsContact O-N 3.11Å; R311-I315 HydrophobicContact CG-CD1 3.72Å; R311-I315 HydrophobicContact CG-CG1 4.42Å; R311-I315 VanDerWaalsContact O-CG1 3.3Å; R311-I315 WeakPolarHBondContact O-CG1 3.31Å; R311-I315 PolarHBondContact O-N 3.39Å; R311-M330 PolarHBondContact NH1-SD 3.16Å; R311-M330 VanDerWaalsContact NH1-SD 3.41Å
312	D	98.7	Very high	98	Very high	35 Å²	35	66.9 Å²	66.9	19%	0.187	34%	0.341	C	S	.	.	H	α-helix	trans	-66.2	-36	-176.4	-73.7	-5.1	0	0	0	111.3	A308 W310 I315 M316 R327 W343	A308-D312 WeakPolarHBondContact O-CB 3.4Å; A308-D312 PolarHBondContact O-N 3.08Å; W310-D312 PolarHBondContact O-N 3.07Å; D312-I315 PolarHBondContact O-N 2.93Å; D312-M316 WeakPolarHBondContact O-CB 3.32Å; D312-M316 VanDerWaalsContact O-CG 3.26Å; D312-M316 WeakPolarHBondContact O-CG 3.4Å; D312-M316 PolarHBondContact O-N 3.43Å; D312-R327 IonicContact OD1-CZ 3.79Å; D312-R327 IonicContact OD1-NE 3.74Å; D312-R327 PolarHBondContact OD1-NE 3Å; D312-R327 IonicContact OD1-NH2 3.35Å; D312-R327 IonicContact OD2-CZ 3.67Å; D312-R327 IonicContact OD2-NE 3.56Å; D312-R327 IonicContact OD2-NH2 2.9Å; D312-R327 PolarHBondContact OD2-NH2 3.4Å; D312-W343 HydrophobicContact CB-CH2 3.85Å; D312-W343 HydrophobicContact CB-CZ2 3.75Å; D312-W343 VanDerWaalsContact CG-CZ2 3.47Å
313	N	98.5	Very high	98.2	Very high	86 Å²	86	60.7 Å²	60.7	46%	0.46	31%	0.308	S	S	.	.	H	α-helix	trans	-65.7	-36.6	171.7	179.8	-92.3	0	0	0	113.2	K309 W310 R311 R317	K309-N313 WeakPolarHBondContact O-CB 3.46Å; K309-N313 PolarHBondContact O-N 2.91Å; K309-N313 VanDerWaalsContact O-N 3.08Å; W310-N313 PolarHBondContact O-N 3.23Å; R311-N313 VanDerWaalsContact C-N 3.3Å; R311-N313 PolarHBondContact O-N 3.4Å; N313-R317 PolarHBondContact O-NE 2.94Å; N313-R317 PolarHBondContact OD1-NE 3.44Å; N313-R317 PolarHBondContact OD1-NH2 3.07Å
314	A	98.6	Very high	98.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63	-47.3	172.8	0	0	0	0	0	111.4	Q288 R291 A295 W310 R311 M316 R317 S318	Q288-A314 PolarHBondContact NE2-O 3.42Å; R291-A314 HydrophobicContact CB-CB 3.93Å; A295-A314 HydrophobicContact CB-CB 4.41Å; W310-A314 HydrophobicContact CH2-CB 4.21Å; W310-A314 HydrophobicContact CZ3-CB 4.18Å; W310-A314 PolarHBondContact O-N 3.49Å; R311-A314 WeakPolarHBondContact O-CB 3.38Å; R311-A314 PolarHBondContact O-N 2.93Å; R311-A314 VanDerWaalsContact O-N 3.11Å; A314-M316 PolarHBondContact O-N 2.95Å; A314-R317 PolarHBondContact O-N 3.36Å; A314-S318 PolarHBondContact O-N 3.42Å
315	I	98.7	Very high	98.3	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-67.1	-36.6	-178.8	-61.2	170.2	0	0	0	111.4	A295 M299 R311 D312 R317 S318 L323 I324 R327 W343	A295-I315 HydrophobicContact CB-CD1 4.39Å; A295-I315 HydrophobicContact CB-CG1 3.98Å; M299-I315 HydrophobicContact CE-CD1 3.74Å; R311-I315 HydrophobicContact CG-CD1 3.72Å; R311-I315 HydrophobicContact CG-CG1 4.42Å; R311-I315 VanDerWaalsContact O-CG1 3.3Å; R311-I315 WeakPolarHBondContact O-CG1 3.31Å; R311-I315 PolarHBondContact O-N 3.39Å; D312-I315 PolarHBondContact O-N 2.93Å; I315-R317 PolarHBondContact O-N 2.98Å; I315-R317 VanDerWaalsContact O-N 3.15Å; I315-S318 WeakPolarHBondContact O-CB 3.45Å; I315-S318 PolarHBondContact O-N 3.02Å; I315-L323 HydrophobicContact CD1-CD1 4.33Å; I315-L323 HydrophobicContact CD1-CG 4.47Å; I315-L323 HydrophobicContact CG1-CD1 4.28Å; I315-L323 HydrophobicContact CG1-CD2 4.04Å; I315-L323 HydrophobicContact CG1-CG 4.01Å; I315-I324 HydrophobicContact CG2-CG1 4.16Å; I315-R327 HydrophobicContact CD1-CB 3.97Å; I315-R327 HydrophobicContact CD1-CG 3.95Å; I315-R327 HydrophobicContact CG2-CB 4.38Å; I315-W343 HydrophobicContact CB-CH2 4.19Å; I315-W343 HydrophobicContact CB-CZ3 3.94Å; I315-W343 HydrophobicContact CG2-CE3 4.04Å; I315-W343 HydrophobicContact CG2-CH2 4.22Å; I315-W343 HydrophobicContact CG2-CZ3 3.52Å
316	M	98.3	Very high	98.3	Very high	77 Å²	77	51.9 Å²	51.9	38%	0.379	25%	0.254	S	S	.	.	H	α-helix	trans	-59	-27.3	176.6	-79.7	-63.4	-68.7	0	0	113.5	D312 A314 W343 R346	D312-M316 WeakPolarHBondContact O-CB 3.32Å; D312-M316 VanDerWaalsContact O-CG 3.26Å; D312-M316 WeakPolarHBondContact O-CG 3.4Å; D312-M316 PolarHBondContact O-N 3.43Å; A314-M316 PolarHBondContact O-N 2.95Å; M316-W343 HydrophobicContact CG-CH2 3.86Å; M316-W343 HydrophobicContact CG-CZ3 3.99Å; M316-W343 HydrophobicContact SD-CH2 4.07Å; M316-W343 HydrophobicContact SD-CZ3 3.78Å; M316-R346 PolarHBondContact O-NH2 3.08Å; M316-R346 VanDerWaalsContact O-NH2 3.08Å; M316-R346 HydrophobicContact SD-CG 3.98Å
317	R	97.3	Very high	98.4	Very high	103 Å²	103	46.9 Å²	46.9	39%	0.389	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-9.2	177.4	-65.5	-178.1	-75.5	171.7	-3.4	113.7	N313 A314 I315	N313-R317 PolarHBondContact O-NE 2.94Å; N313-R317 PolarHBondContact OD1-NE 3.44Å; N313-R317 PolarHBondContact OD1-NH2 3.07Å; A314-R317 PolarHBondContact O-N 3.36Å; I315-R317 PolarHBondContact O-N 2.98Å; I315-R317 VanDerWaalsContact O-N 3.15Å
318	S	98.1	Very high	98.4	Very high	5 Å²	5	45.6 Å²	45.6	4%	0.035	22%	0.224	C	C	.	.			trans	-75.8	149.3	-175.4	-177.7	0	0	0	0	111.8	D292 A314 I315 S320	D292-S318 VanDerWaalsContact OD1-CB 3.23Å; D292-S318 WeakPolarHBondContact OD1-CB 3.42Å; D292-S318 PolarHBondContact OD1-OG 3.25Å; D292-S318 VanDerWaalsContact OD1-OG 3.07Å; D292-S318 PolarHBondContact OD2-OG 2.98Å; A314-S318 PolarHBondContact O-N 3.42Å; I315-S318 WeakPolarHBondContact O-CB 3.45Å; I315-S318 PolarHBondContact O-N 3.02Å; S318-S320 VanDerWaalsContact OG-CB 3.31Å; S318-S320 WeakPolarHBondContact OG-CB 3.48Å; S318-S320 PolarHBondContact OG-N 3.29Å
319	Q	97	Very high	98.4	Very high	173 Å²	173	45.2 Å²	45.2	81%	0.808	22%	0.217	S	C	*	.			trans	-101.7	1.5	167.8	-57.8	-58.1	-37.5	0	0	112	T321	Q319-T321 PolarHBondContact O-N 2.66Å
320	S	98.4	Very high	98.4	Very high	32 Å²	32	38.4 Å²	38.4	22%	0.224	19%	0.189	C	C	.	.			trans	-79.8	102	-175.5	-179.6	0	0	0	0	111.3	D292 S318 S322 L323 I324	D292-S320 WeakPolarHBondContact OD2-CB 3.5Å; S318-S320 VanDerWaalsContact OG-CB 3.31Å; S318-S320 WeakPolarHBondContact OG-CB 3.48Å; S318-S320 PolarHBondContact OG-N 3.29Å; S320-S322 VanDerWaalsContact C-N 3.26Å; S320-S322 PolarHBondContact O-N 3.3Å; S320-S322 PolarHBondContact OG-OG 3.5Å; S320-L323 PolarHBondContact O-N 3.28Å; S320-L323 VanDerWaalsContact O-N 3.12Å; S320-L323 PolarHBondContact OG-N 3.31Å; S320-I324 WeakPolarHBondContact O-CG1 3.32Å; S320-I324 PolarHBondContact O-N 3.49Å
321	T	98.5	Very high	98.4	Very high	49 Å²	49	35.9 Å²	35.9	30%	0.301	18%	0.179	S	C	.	.	H	α-helix	trans	-51.3	-45.8	176.1	-55.6	0	0	0	0	112.1	Q319 L323 I324 E325 P348 A351	Q319-T321 PolarHBondContact O-N 2.66Å; T321-L323 VanDerWaalsContact C-N 3.33Å; T321-L323 PolarHBondContact O-N 2.89Å; T321-I324 PolarHBondContact O-N 3.28Å; T321-E325 HydrophobicContact CG2-CG 4.35Å; T321-E325 WeakPolarHBondContact O-CB 3.4Å; T321-E325 VanDerWaalsContact O-CG 3.29Å; T321-E325 WeakPolarHBondContact O-CG 3.35Å; T321-E325 PolarHBondContact O-N 3.14Å; T321-P348 HydrophobicContact CG2-CG 4.07Å; T321-P348 WeakPolarHBondContact OG1-CG 3.13Å; T321-A351 HydrophobicContact CG2-CB 3.65Å
322	S	98.2	Very high	98.4	Very high	58 Å²	58	35.5 Å²	35.5	41%	0.406	18%	0.178	S	C	.	.	H	α-helix	trans	-67	-33.5	-177.5	59.6	0	0	0	0	112.8	S320 R326	S320-S322 VanDerWaalsContact C-N 3.26Å; S320-S322 PolarHBondContact O-N 3.3Å; S320-S322 PolarHBondContact OG-OG 3.5Å; S322-R326 WeakPolarHBondContact O-CB 3.43Å; S322-R326 PolarHBondContact O-N 3.16Å
323	L	98.6	Very high	98.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.8	-43.7	174.7	179	58	0	0	0	111.1	D292 A295 W296 M299 I315 S320 T321 R326 R327	D292-L323 HydrophobicContact CB-CD2 3.79Å; A295-L323 HydrophobicContact CB-CD1 4.13Å; A295-L323 HydrophobicContact CB-CD2 4.09Å; W296-L323 HydrophobicContact CD2-CD1 4.08Å; W296-L323 HydrophobicContact CG-CD1 3.96Å; W296-L323 HydrophobicContact CZ2-CB 4.34Å; M299-L323 HydrophobicContact CE-CD1 3.54Å; I315-L323 HydrophobicContact CD1-CD1 4.33Å; I315-L323 HydrophobicContact CD1-CG 4.47Å; I315-L323 HydrophobicContact CG1-CD1 4.28Å; I315-L323 HydrophobicContact CG1-CD2 4.04Å; I315-L323 HydrophobicContact CG1-CG 4.01Å; S320-L323 PolarHBondContact O-N 3.28Å; S320-L323 VanDerWaalsContact O-N 3.12Å; S320-L323 PolarHBondContact OG-N 3.31Å; T321-L323 VanDerWaalsContact C-N 3.33Å; T321-L323 PolarHBondContact O-N 2.89Å; L323-R326 WeakPolarHBondContact O-CB 3.45Å; L323-R326 PolarHBondContact O-N 3.29Å; L323-R327 PolarHBondContact O-N 3.05Å
324	I	98.7	Very high	98.4	Very high	9 Å²	9	32.7 Å²	32.7	5%	0.046	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-47.4	176	-61.3	165.7	0	0	0	109.7	I315 S320 T321 R326 R327 V328 R346 L347	I315-I324 HydrophobicContact CG2-CG1 4.16Å; S320-I324 WeakPolarHBondContact O-CG1 3.32Å; S320-I324 PolarHBondContact O-N 3.49Å; T321-I324 PolarHBondContact O-N 3.28Å; I324-R326 VanDerWaalsContact C-N 3.28Å; I324-R326 PolarHBondContact O-N 2.82Å; I324-R327 CarbonylContact O-C 3.41Å; I324-R327 WeakPolarHBondContact O-CA 3.38Å; I324-R327 WeakPolarHBondContact O-CB 3.42Å; I324-R327 PolarHBondContact O-N 3.32Å; I324-V328 WeakPolarHBondContact O-CG2 3.47Å; I324-V328 PolarHBondContact O-N 3.34Å; I324-R346 HydrophobicContact CG2-CB 4.04Å; I324-L347 HydrophobicContact CB-CD2 4.07Å; I324-L347 HydrophobicContact CG2-CD2 3.62Å; I324-L347 HydrophobicContact CG2-CG 4.01Å
325	E	98.7	Very high	98.3	Very high	17 Å²	17	34.3 Å²	34.3	8%	0.079	18%	0.184	C	C	.	.	H	α-helix	trans	-58.6	-38.2	174.9	-74	-173.1	158.1	0	0	112.5	T321 R327 V328 R329 L347 K354 W357	T321-E325 HydrophobicContact CG2-CG 4.35Å; T321-E325 WeakPolarHBondContact O-CB 3.4Å; T321-E325 VanDerWaalsContact O-CG 3.29Å; T321-E325 WeakPolarHBondContact O-CG 3.35Å; T321-E325 PolarHBondContact O-N 3.14Å; E325-R327 VanDerWaalsContact C-N 3.28Å; E325-R327 PolarHBondContact O-N 2.92Å; E325-V328 PolarHBondContact O-N 3.06Å; E325-R329 WeakPolarHBondContact O-CG 3.45Å; E325-R329 PolarHBondContact O-N 3.15Å; E325-R329 IonicContact OE2-NH1 4Å; E325-L347 HydrophobicContact CB-CD2 4.48Å; E325-L347 HydrophobicContact CG-CD2 3.54Å; E325-K354 IonicContact OE1-NZ 3.9Å; E325-K354 PolarHBondContact OE1-NZ 3.5Å; E325-K354 IonicContact OE2-NZ 2.97Å; E325-W357 HydrophobicContact CB-CZ2 3.81Å; E325-W357 HydrophobicContact CG-CZ2 3.62Å; E325-W357 PolarHBondContact OE1-NE1 2.95Å
326	R	98.6	Very high	98.3	Very high	39 Å²	39	37 Å²	37	15%	0.147	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-36.8	174.9	-179.9	64.4	-173.1	102.5	-2.9	111.5	W296 M299 S322 L323 I324 R329 M330	W296-R326 HydrophobicContact CE3-CB 4.45Å; W296-R326 HydrophobicContact CE3-CG 4.06Å; W296-R326 HydrophobicContact CH2-CB 3.69Å; W296-R326 HydrophobicContact CH2-CG 4.06Å; W296-R326 HydrophobicContact CZ2-CB 4.38Å; W296-R326 HydrophobicContact CZ3-CB 3.74Å; W296-R326 HydrophobicContact CZ3-CG 3.55Å; M299-R326 HydrophobicContact CE-CB 4.26Å; M299-R326 HydrophobicContact CE-CG 3.85Å; M299-R326 HydrophobicContact CG-CG 3.91Å; M299-R326 HydrophobicContact SD-CG 3.85Å; S322-R326 WeakPolarHBondContact O-CB 3.43Å; S322-R326 PolarHBondContact O-N 3.16Å; L323-R326 WeakPolarHBondContact O-CB 3.45Å; L323-R326 PolarHBondContact O-N 3.29Å; I324-R326 VanDerWaalsContact C-N 3.28Å; I324-R326 PolarHBondContact O-N 2.82Å; R326-R329 PolarHBondContact O-N 3.01Å; R326-M330 PolarHBondContact O-N 3.45Å
327	R	98.8	Very high	98.3	Very high	15 Å²	15	37 Å²	37	6%	0.057	19%	0.194	C	C	.	.	H	α-helix	trans	-73.2	-35.2	176.8	-174	59.3	-174.8	87.8	-4.3	113.1	M299 D312 I315 L323 I324 E325 M330 A331 W343	M299-R327 HydrophobicContact CE-CB 4.38Å; D312-R327 IonicContact OD1-CZ 3.79Å; D312-R327 IonicContact OD1-NE 3.74Å; D312-R327 PolarHBondContact OD1-NE 3Å; D312-R327 IonicContact OD1-NH2 3.35Å; D312-R327 IonicContact OD2-CZ 3.67Å; D312-R327 IonicContact OD2-NE 3.56Å; D312-R327 IonicContact OD2-NH2 2.9Å; D312-R327 PolarHBondContact OD2-NH2 3.4Å; I315-R327 HydrophobicContact CD1-CB 3.97Å; I315-R327 HydrophobicContact CD1-CG 3.95Å; I315-R327 HydrophobicContact CG2-CB 4.38Å; L323-R327 PolarHBondContact O-N 3.05Å; I324-R327 CarbonylContact O-C 3.41Å; I324-R327 WeakPolarHBondContact O-CA 3.38Å; I324-R327 WeakPolarHBondContact O-CB 3.42Å; I324-R327 PolarHBondContact O-N 3.32Å; E325-R327 VanDerWaalsContact C-N 3.28Å; E325-R327 PolarHBondContact O-N 2.92Å; R327-M330 WeakPolarHBondContact O-CB 3.31Å; R327-M330 PolarHBondContact O-N 3.26Å; R327-A331 PolarHBondContact O-N 3.48Å; R327-A331 VanDerWaalsContact O-N 3.1Å; R327-W343 HydrophobicContact CB-CD2 4.36Å; R327-W343 HydrophobicContact CB-CG 4.5Å; R327-W343 HydrophobicContact CG-CD2 3.4Å; R327-W343 VanDerWaalsContact CG-CD2 3.4Å; R327-W343 VanDerWaalsContact CG-CE2 3.46Å; R327-W343 HydrophobicContact CG-CE3 3.83Å; R327-W343 HydrophobicContact CG-CG 3.7Å; R327-W343 HydrophobicContact CG-CH2 4.3Å; R327-W343 HydrophobicContact CG-CZ2 3.94Å; R327-W343 HydrophobicContact CG-CZ3 4.26Å; R327-W343 VanDerWaalsContact NH2-NE1 3.18Å
328	V	98.8	Very high	98.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.1	-48.4	167.9	177.7	0	0	0	0	109.7	I324 E325 M330 A331 L332 L340 W343 L347 W357	I324-V328 WeakPolarHBondContact O-CG2 3.47Å; I324-V328 PolarHBondContact O-N 3.34Å; E325-V328 PolarHBondContact O-N 3.06Å; V328-M330 VanDerWaalsContact C-N 3.27Å; V328-M330 PolarHBondContact O-N 2.97Å; V328-A331 WeakPolarHBondContact O-CB 3.46Å; V328-A331 PolarHBondContact O-N 3.47Å; V328-L332 HydrophobicContact CG1-CD1 4.4Å; V328-L332 PolarHBondContact O-N 2.87Å; V328-L340 HydrophobicContact CG1-CD1 3.84Å; V328-W343 HydrophobicContact CB-CB 4.47Å; V328-W343 HydrophobicContact CG2-CB 3.59Å; V328-L347 HydrophobicContact CG2-CD1 4.31Å; V328-L347 HydrophobicContact CG2-CG 4.42Å; V328-W357 HydrophobicContact CB-CH2 4.18Å; V328-W357 HydrophobicContact CB-CZ3 4.19Å; V328-W357 HydrophobicContact CG1-CE3 3.95Å; V328-W357 HydrophobicContact CG1-CH2 3.87Å; V328-W357 HydrophobicContact CG1-CZ3 3.38Å
329	R	98.7	Very high	98.3	Very high	14 Å²	14	42.5 Å²	42.5	5%	0.053	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-33.1	176.7	-71.7	-179	180	100.9	4.5	113.6	E325 R326 G333 E356 W357 E613 S614	E325-R329 WeakPolarHBondContact O-CG 3.45Å; E325-R329 PolarHBondContact O-N 3.15Å; E325-R329 IonicContact OE2-NH1 4Å; R326-R329 PolarHBondContact O-N 3.01Å; R329-G333 PolarHBondContact O-N 3.5Å; R329-E356 IonicContact NH2-OE1 2.73Å; R329-W357 HydrophobicContact CG-CH2 3.99Å; R329-E613 WeakPolarHBondContact CD-O 3.5Å; R329-E613 HydrophobicContact CG-CG 4.37Å; R329-E613 WeakPolarHBondContact CG-O 3.46Å; R329-E613 IonicContact CZ-OE1 3.18Å; R329-E613 VanDerWaalsContact CZ-OE1 3.28Å; R329-E613 PolarHBondContact NE-O 3.39Å; R329-E613 IonicContact NE-OE1 2.69Å; R329-E613 PolarHBondContact NE-OE1 3.2Å; R329-E613 IonicContact NH2-OE1 2.88Å; R329-E613 PolarHBondContact NH2-OE1 3.48Å; R329-S614 VanDerWaalsContact O-CB 3.25Å; R329-S614 WeakPolarHBondContact O-CB 3.47Å
330	M	98.4	Very high	98.4	Very high	25 Å²	25	34.3 Å²	34.3	12%	0.123	18%	0.177	C	C	.	.	H	α-helix	trans	-62.8	-47.2	171.1	173.7	-175.5	-82.7	0	0	111	M299 R311 R326 R327 V328 L332 G333 T334	M299-M330 VanDerWaalsContact CA-CE 3.42Å; M299-M330 HydrophobicContact CB-CE 4.09Å; M299-M330 HydrophobicContact CG-CE 4.48Å; M299-M330 WeakPolarHBondContact O-CE 3.37Å; M299-M330 HydrophobicContact SD-CE 3.64Å; M299-M330 HydrophobicContact SD-SD 4.47Å; R311-M330 PolarHBondContact NH1-SD 3.16Å; R311-M330 VanDerWaalsContact NH1-SD 3.41Å; R326-M330 PolarHBondContact O-N 3.45Å; R327-M330 WeakPolarHBondContact O-CB 3.31Å; R327-M330 PolarHBondContact O-N 3.26Å; V328-M330 VanDerWaalsContact C-N 3.27Å; V328-M330 PolarHBondContact O-N 2.97Å; M330-L332 VanDerWaalsContact C-N 3.32Å; M330-L332 PolarHBondContact O-N 3.28Å; M330-G333 PolarHBondContact O-N 3.5Å; M330-G333 VanDerWaalsContact O-N 3.16Å; M330-T334 PolarHBondContact O-N 2.97Å; M330-T334 PolarHBondContact O-OG1 3.17Å
331	A	98.6	Very high	98.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-41.8	178.3	0	0	0	0	0	111.9	R327 V328 T334 G335 D336 L340	R327-A331 PolarHBondContact O-N 3.48Å; R327-A331 VanDerWaalsContact O-N 3.1Å; V328-A331 WeakPolarHBondContact O-CB 3.46Å; V328-A331 PolarHBondContact O-N 3.47Å; A331-T334 PolarHBondContact O-N 2.78Å; A331-T334 PolarHBondContact O-OG1 3.17Å; A331-G335 PolarHBondContact O-N 3.19Å; A331-G335 VanDerWaalsContact O-N 3.16Å; A331-D336 HydrophobicContact CB-CB 4.24Å; A331-D336 PolarHBondContact O-N 3.43Å; A331-L340 HydrophobicContact CB-CB 4.37Å
332	L	98.6	Very high	98.3	Very high	6 Å²	6	36 Å²	36	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-59.4	-46.7	172.6	-69.6	174.9	0	0	0	112	V328 M330 T334 G335 L340 W357 W360 I606 E613	V328-L332 HydrophobicContact CG1-CD1 4.4Å; V328-L332 PolarHBondContact O-N 2.87Å; M330-L332 VanDerWaalsContact C-N 3.32Å; M330-L332 PolarHBondContact O-N 3.28Å; L332-T334 PolarHBondContact O-N 3.12Å; L332-G335 PolarHBondContact O-N 2.93Å; L332-L340 HydrophobicContact CD2-CD1 3.63Å; L332-L340 HydrophobicContact CD2-CD2 3.74Å; L332-L340 HydrophobicContact CD2-CG 4.25Å; L332-L340 HydrophobicContact CG-CD1 3.96Å; L332-W357 HydrophobicContact CD1-CZ3 4.19Å; L332-W360 HydrophobicContact CD1-CD2 4.02Å; L332-W360 HydrophobicContact CD1-CG 4.18Å; L332-W360 HydrophobicContact CD1-CZ2 4.07Å; L332-W360 HydrophobicContact CD2-CD2 3.46Å; L332-W360 VanDerWaalsContact CD2-CD2 3.46Å; L332-W360 HydrophobicContact CD2-CE3 3.45Å; L332-W360 VanDerWaalsContact CD2-CE3 3.45Å; L332-W360 HydrophobicContact CD2-CG 4.18Å; L332-W360 HydrophobicContact CD2-CH2 3.78Å; L332-W360 HydrophobicContact CD2-CZ2 3.75Å; L332-W360 HydrophobicContact CD2-CZ3 3.61Å; L332-W360 HydrophobicContact CG-CD2 4.4Å; L332-W360 HydrophobicContact CG-CZ2 4.49Å; L332-I606 VanDerWaalsContact O-CG2 3.29Å; L332-I606 WeakPolarHBondContact O-CG2 3.07Å; L332-E613 HydrophobicContact CD1-CB 4.06Å; L332-E613 HydrophobicContact CD1-CG 3.86Å
333	G	98.2	Very high	98.4	Very high	11 Å²	11	33.8 Å²	33.8	11%	0.113	17%	0.167	C	C	.	.	H	α-helix	trans	-68.6	-14.5	-177.2	0	0	0	0	0	115	R329 M330 S602 S614	R329-G333 PolarHBondContact O-N 3.5Å; M330-G333 PolarHBondContact O-N 3.5Å; M330-G333 VanDerWaalsContact O-N 3.16Å; G333-S602 WeakPolarHBondContact O-CA 3.44Å; G333-S614 WeakPolarHBondContact CA-OG 3.28Å
334	T	97.9	Very high	98.4	Very high	52 Å²	52	34 Å²	34	32%	0.319	17%	0.168	S	C	.	.	H	α-helix	trans	-113	-0.9	179.2	61.5	0	0	0	0	113.8	M330 A331 L332 D336	M330-T334 PolarHBondContact O-N 2.97Å; M330-T334 PolarHBondContact O-OG1 3.17Å; A331-T334 PolarHBondContact O-N 2.78Å; A331-T334 PolarHBondContact O-OG1 3.17Å; L332-T334 PolarHBondContact O-N 3.12Å; T334-D336 VanDerWaalsContact C-N 3.3Å; T334-D336 PolarHBondContact O-N 3.26Å
335	G	97.9	Very high	98.3	Very high	33 Å²	33	36.5 Å²	36.5	34%	0.34	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	22.4	-175.7	0	0	0	0	0	113.9	A331 L332 R337 I606	A331-G335 PolarHBondContact O-N 3.19Å; A331-G335 VanDerWaalsContact O-N 3.16Å; L332-G335 PolarHBondContact O-N 2.93Å; G335-R337 PolarHBondContact O-N 3.07Å; G335-R337 VanDerWaalsContact O-N 3.08Å; G335-I606 VanDerWaalsContact N-CG2 3.32Å
336	D	98.1	Very high	98.3	Very high	58 Å²	58	41.2 Å²	41.2	31%	0.31	21%	0.207	S	C	.	.			trans	-79.9	89.6	-178.6	176.7	12.5	0	0	0	110.8	A331 T334 R338 G339 L340	A331-D336 HydrophobicContact CB-CB 4.24Å; A331-D336 PolarHBondContact O-N 3.43Å; T334-D336 VanDerWaalsContact C-N 3.3Å; T334-D336 PolarHBondContact O-N 3.26Å; D336-R338 PolarHBondContact O-N 3.29Å; D336-R338 PolarHBondContact OD1-N 2.99Å; D336-G339 VanDerWaalsContact CG-N 3.31Å; D336-G339 PolarHBondContact O-N 2.79Å; D336-G339 PolarHBondContact OD1-N 3.12Å; D336-G339 VanDerWaalsContact OD2-CA 3.25Å; D336-G339 WeakPolarHBondContact OD2-CA 3.4Å; D336-G339 PolarHBondContact OD2-N 3.28Å; D336-L340 WeakPolarHBondContact O-CB 3.27Å; D336-L340 PolarHBondContact O-N 2.82Å
337	R	97.8	Very high	98.3	Very high	77 Å²	77	39.6 Å²	39.6	29%	0.291	20%	0.201	S	C	.	.	H	α-helix	trans	-62.5	-40.1	-178.1	-56.5	-56.9	-63.5	170.7	-1	113	G335 L340 N341 D363 E367	G335-R337 PolarHBondContact O-N 3.07Å; G335-R337 VanDerWaalsContact O-N 3.08Å; R337-L340 PolarHBondContact O-N 2.77Å; R337-N341 PolarHBondContact O-N 3.41Å; R337-N341 VanDerWaalsContact O-N 3.16Å; R337-D363 IonicContact CZ-OD1 3.64Å; R337-D363 IonicContact NH1-OD1 3.7Å; R337-D363 PolarHBondContact NH1-OD1 3.25Å; R337-D363 IonicContact NH2-OD1 3.56Å; R337-D363 PolarHBondContact NH2-OD1 3.03Å; R337-E367 IonicContact CZ-OE2 2.74Å; R337-E367 IonicContact NE-OE1 3.78Å; R337-E367 IonicContact NE-OE2 2.78Å; R337-E367 PolarHBondContact NE-OE2 3.41Å; R337-E367 IonicContact NH2-OE2 2.65Å; R337-E367 PolarHBondContact NH2-OE2 3.31Å
338	R	97.9	Very high	98.3	Very high	220 Å²	220	40.8 Å²	40.8	83%	0.83	21%	0.211	S	C	*	.	H	α-helix	trans	-68.2	-42.4	177.7	-69.8	-175.7	-179.8	176.8	0.4	111	D336 N341 T342	D336-R338 PolarHBondContact O-N 3.29Å; D336-R338 PolarHBondContact OD1-N 2.99Å; R338-N341 PolarHBondContact O-N 2.99Å; R338-T342 WeakPolarHBondContact O-CB 3.28Å; R338-T342 PolarHBondContact O-N 3.36Å; R338-T342 PolarHBondContact O-OG1 3.32Å
339	G	97.7	Very high	98.2	Very high	4 Å²	4	47.2 Å²	47.2	4%	0.041	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-44.4	173.8	0	0	0	0	0	111.8	D336 N341 T342 W343	D336-G339 VanDerWaalsContact CG-N 3.31Å; D336-G339 PolarHBondContact O-N 2.79Å; D336-G339 PolarHBondContact OD1-N 3.12Å; D336-G339 VanDerWaalsContact OD2-CA 3.25Å; D336-G339 WeakPolarHBondContact OD2-CA 3.4Å; D336-G339 PolarHBondContact OD2-N 3.28Å; G339-N341 VanDerWaalsContact C-N 3.32Å; G339-N341 PolarHBondContact O-N 3.31Å; G339-T342 PolarHBondContact O-N 2.96Å; G339-T342 VanDerWaalsContact O-N 3.11Å; G339-W343 PolarHBondContact O-N 3.09Å
340	L	98.6	Very high	98.1	Very high	2 Å²	2	53 Å²	53	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-54.6	-51.1	177.7	176.2	59.1	0	0	0	110.5	V328 A331 L332 D336 R337 T342 L344 W360 L364	V328-L340 HydrophobicContact CG1-CD1 3.84Å; A331-L340 HydrophobicContact CB-CB 4.37Å; L332-L340 HydrophobicContact CD2-CD1 3.63Å; L332-L340 HydrophobicContact CD2-CD2 3.74Å; L332-L340 HydrophobicContact CD2-CG 4.25Å; L332-L340 HydrophobicContact CG-CD1 3.96Å; D336-L340 WeakPolarHBondContact O-CB 3.27Å; D336-L340 PolarHBondContact O-N 2.82Å; R337-L340 PolarHBondContact O-N 2.77Å; L340-T342 VanDerWaalsContact C-N 3.33Å; L340-T342 PolarHBondContact O-N 2.85Å; L340-L344 HydrophobicContact CD1-CD1 4.14Å; L340-L344 WeakPolarHBondContact O-CB 3.48Å; L340-L344 PolarHBondContact O-N 2.93Å; L340-W360 HydrophobicContact CD2-CE3 4.07Å; L340-L364 HydrophobicContact CD2-CD2 3.92Å; L340-L364 HydrophobicContact CD2-CG 4.08Å; L340-L364 HydrophobicContact CG-CD1 4.17Å; L340-L364 HydrophobicContact CG-CD2 4.12Å; L340-L364 HydrophobicContact CG-CG 4.25Å
341	N	98.3	Very high	98.1	Very high	50 Å²	50	52 Å²	52	27%	0.267	27%	0.266	S	S	.	.	H	α-helix	trans	-60.7	-42.4	177.6	-180	-119.8	0	0	0	113.1	R337 R338 G339 A345 L364 R368	R337-N341 PolarHBondContact O-N 3.41Å; R337-N341 VanDerWaalsContact O-N 3.16Å; R338-N341 PolarHBondContact O-N 2.99Å; G339-N341 VanDerWaalsContact C-N 3.32Å; G339-N341 PolarHBondContact O-N 3.31Å; N341-A345 WeakPolarHBondContact O-CB 3.43Å; N341-A345 PolarHBondContact O-N 2.77Å; N341-L364 HydrophobicContact CB-CD1 4.03Å; N341-L364 HydrophobicContact CB-CD2 4.14Å; N341-R368 PolarHBondContact ND2-NH1 3.26Å; N341-R368 PolarHBondContact ND2-NH2 2.84Å; N341-R368 VanDerWaalsContact ND2-NH2 3.1Å; N341-R368 PolarHBondContact OD1-NH2 3.35Å
342	T	98.3	Very high	98.1	Very high	67 Å²	67	55.7 Å²	55.7	41%	0.411	28%	0.282	S	S	.	.	H	α-helix	trans	-61.7	-55.3	179.6	-58.6	0	0	0	0	111	R338 G339 L340 A345 R346	R338-T342 WeakPolarHBondContact O-CB 3.28Å; R338-T342 PolarHBondContact O-N 3.36Å; R338-T342 PolarHBondContact O-OG1 3.32Å; G339-T342 PolarHBondContact O-N 2.96Å; G339-T342 VanDerWaalsContact O-N 3.11Å; L340-T342 VanDerWaalsContact C-N 3.33Å; L340-T342 PolarHBondContact O-N 2.85Å; T342-A345 PolarHBondContact O-N 3.23Å; T342-R346 WeakPolarHBondContact O-CG 3.38Å; T342-R346 PolarHBondContact O-N 3.05Å
343	W	98.7	Very high	98	Very high	11 Å²	11	61.3 Å²	61.3	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-75.1	-31.8	-172.3	-61.2	113.8	0	0	0	113.1	D312 I315 M316 R327 V328 G339 A345 R346 L347	D312-W343 HydrophobicContact CB-CH2 3.85Å; D312-W343 HydrophobicContact CB-CZ2 3.75Å; D312-W343 VanDerWaalsContact CG-CZ2 3.47Å; I315-W343 HydrophobicContact CB-CH2 4.19Å; I315-W343 HydrophobicContact CB-CZ3 3.94Å; I315-W343 HydrophobicContact CG2-CE3 4.04Å; I315-W343 HydrophobicContact CG2-CH2 4.22Å; I315-W343 HydrophobicContact CG2-CZ3 3.52Å; M316-W343 HydrophobicContact CG-CH2 3.86Å; M316-W343 HydrophobicContact CG-CZ3 3.99Å; M316-W343 HydrophobicContact SD-CH2 4.07Å; M316-W343 HydrophobicContact SD-CZ3 3.78Å; R327-W343 HydrophobicContact CB-CD2 4.36Å; R327-W343 HydrophobicContact CB-CG 4.5Å; R327-W343 HydrophobicContact CG-CD2 3.4Å; R327-W343 VanDerWaalsContact CG-CD2 3.4Å; R327-W343 VanDerWaalsContact CG-CE2 3.46Å; R327-W343 HydrophobicContact CG-CE3 3.83Å; R327-W343 HydrophobicContact CG-CG 3.7Å; R327-W343 HydrophobicContact CG-CH2 4.3Å; R327-W343 HydrophobicContact CG-CZ2 3.94Å; R327-W343 HydrophobicContact CG-CZ3 4.26Å; R327-W343 VanDerWaalsContact NH2-NE1 3.18Å; V328-W343 HydrophobicContact CB-CB 4.47Å; V328-W343 HydrophobicContact CG2-CB 3.59Å; G339-W343 PolarHBondContact O-N 3.09Å; W343-A345 VanDerWaalsContact C-N 3.31Å; W343-R346 HydrophobicContact CE3-CG 4.21Å; W343-R346 WeakPolarHBondContact O-CB 3.48Å; W343-R346 PolarHBondContact O-N 3.48Å; W343-L347 PolarHBondContact O-N 3.01Å
344	L	98.4	Very high	98	Very high	4 Å²	4	64.6 Å²	64.6	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-65.4	-38.6	174.3	-159.2	161.5	0	0	0	110.2	L340 R346 L347 K352 W360 Q361 L364	L340-L344 HydrophobicContact CD1-CD1 4.14Å; L340-L344 WeakPolarHBondContact O-CB 3.48Å; L340-L344 PolarHBondContact O-N 2.93Å; L344-R346 PolarHBondContact O-N 3.31Å; L344-L347 HydrophobicContact CG-CD1 4.5Å; L344-L347 WeakPolarHBondContact O-CB 3.43Å; L344-L347 PolarHBondContact O-N 3.18Å; L344-K352 VanDerWaalsContact O-CE 3.23Å; L344-K352 WeakPolarHBondContact O-CE 3.44Å; L344-W360 HydrophobicContact CD1-CB 3.65Å; L344-Q361 HydrophobicContact CD2-CB 4.32Å; L344-L364 HydrophobicContact CD1-CD1 4.2Å
345	A	98.2	Very high	98.1	Very high	61 Å²	61	64.2 Å²	64.2	50%	0.504	32%	0.315	S	S	.	.	H	α-helix	trans	-63.2	-29.5	174.4	0	0	0	0	0	113.1	N341 T342 W343 L347 K352	N341-A345 WeakPolarHBondContact O-CB 3.43Å; N341-A345 PolarHBondContact O-N 2.77Å; T342-A345 PolarHBondContact O-N 3.23Å; W343-A345 VanDerWaalsContact C-N 3.31Å; A345-L347 VanDerWaalsContact C-N 3.32Å; A345-L347 PolarHBondContact O-N 2.69Å; A345-K352 PolarHBondContact O-NZ 3.13Å
346	R	98.3	Very high	98.1	Very high	117 Å²	117	64.2 Å²	64.2	44%	0.442	31%	0.307	S	S	.	.	H	α-helix	trans	-74.2	-15.5	177.2	-61.5	-53.8	-66.1	165.9	-4.1	114.3	M316 I324 T342 W343 L344	M316-R346 PolarHBondContact O-NH2 3.08Å; M316-R346 VanDerWaalsContact O-NH2 3.08Å; M316-R346 HydrophobicContact SD-CG 3.98Å; I324-R346 HydrophobicContact CG2-CB 4.04Å; T342-R346 WeakPolarHBondContact O-CG 3.38Å; T342-R346 PolarHBondContact O-N 3.05Å; W343-R346 HydrophobicContact CE3-CG 4.21Å; W343-R346 WeakPolarHBondContact O-CB 3.48Å; W343-R346 PolarHBondContact O-N 3.48Å; L344-R346 PolarHBondContact O-N 3.31Å
347	L	98.5	Very high	98.1	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.021	29%	0.292	C	S	.	.	S	Bend	trans	-62.4	140.4	176.1	-72.9	171.2	0	0	0	110.8	I324 E325 V328 W343 L344 A345 A351 K352 W357	I324-L347 HydrophobicContact CB-CD2 4.07Å; I324-L347 HydrophobicContact CG2-CD2 3.62Å; I324-L347 HydrophobicContact CG2-CG 4.01Å; E325-L347 HydrophobicContact CB-CD2 4.48Å; E325-L347 HydrophobicContact CG-CD2 3.54Å; V328-L347 HydrophobicContact CG2-CD1 4.31Å; V328-L347 HydrophobicContact CG2-CG 4.42Å; W343-L347 PolarHBondContact O-N 3.01Å; L344-L347 HydrophobicContact CG-CD1 4.5Å; L344-L347 WeakPolarHBondContact O-CB 3.43Å; L344-L347 PolarHBondContact O-N 3.18Å; A345-L347 VanDerWaalsContact C-N 3.32Å; A345-L347 PolarHBondContact O-N 2.69Å; L347-A351 HydrophobicContact CB-CB 4.19Å; L347-A351 HydrophobicContact CD2-CB 4.13Å; L347-K352 HydrophobicContact CB-CG 4.01Å; L347-K352 WeakPolarHBondContact O-CE 3.46Å; L347-K352 PolarHBondContact O-NZ 3.27Å; L347-W357 HydrophobicContact CD1-CB 4.25Å; L347-W357 HydrophobicContact CD1-CD2 3.82Å; L347-W357 HydrophobicContact CD1-CG 3.65Å
348	P	98.1	Very high	98.2	Very high	41 Å²	41	60.1 Å²	60.1	27%	0.266	29%	0.287	S	S	.	.			trans	-66.1	161	171.7	30.7	-35.2	0	0	0	110.5	T321 E350 A351 K352	T321-P348 HydrophobicContact CG2-CG 4.07Å; T321-P348 WeakPolarHBondContact OG1-CG 3.13Å; P348-E350 VanDerWaalsContact C-N 3.3Å; P348-E350 PolarHBondContact O-N 2.85Å; P348-A351 HydrophobicContact CG-CB 3.91Å; P348-A351 WeakPolarHBondContact O-CB 3.26Å; P348-A351 PolarHBondContact O-N 3.23Å; P348-A351 VanDerWaalsContact O-N 3.08Å; P348-K352 PolarHBondContact O-N 2.91Å; P348-K352 VanDerWaalsContact O-N 3.16Å
349	M	97.4	Very high	98.2	Very high	134 Å²	134	49.7 Å²	49.7	66%	0.66	25%	0.248	S	C	*	.	H	α-helix	trans	-58.4	-42.8	-172.8	-171.2	175.1	70.5	0	0	111.7	A351 K352 E353	M349-A351 PolarHBondContact O-N 3.38Å; M349-K352 WeakPolarHBondContact O-CB 3.22Å; M349-K352 PolarHBondContact O-N 3.15Å; M349-E353 PolarHBondContact O-N 3.25Å
350	E	97	Very high	98.3	Very high	137 Å²	137	49.6 Å²	49.6	64%	0.64	25%	0.246	S	C	*	.	H	α-helix	trans	-62.8	-31.9	-179.9	-55.4	74	-162.2	0	0	112	P348	P348-E350 VanDerWaalsContact C-N 3.3Å; P348-E350 PolarHBondContact O-N 2.85Å
351	A	98	Very high	98.3	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.033	26%	0.26	C	S	.	.	H	α-helix	trans	-72	-41.7	174.7	0	0	0	0	0	110.6	T321 L347 P348 M349 E353 K354 W357	T321-A351 HydrophobicContact CG2-CB 3.65Å; L347-A351 HydrophobicContact CB-CB 4.19Å; L347-A351 HydrophobicContact CD2-CB 4.13Å; P348-A351 HydrophobicContact CG-CB 3.91Å; P348-A351 WeakPolarHBondContact O-CB 3.26Å; P348-A351 PolarHBondContact O-N 3.23Å; P348-A351 VanDerWaalsContact O-N 3.08Å; M349-A351 PolarHBondContact O-N 3.38Å; A351-E353 PolarHBondContact O-N 2.91Å; A351-K354 WeakPolarHBondContact O-CB 3.4Å; A351-K354 VanDerWaalsContact O-CG 3.31Å; A351-K354 WeakPolarHBondContact O-CG 3.49Å; A351-K354 PolarHBondContact O-N 3.44Å; A351-W357 VanDerWaalsContact O-CD1 3.23Å
352	K	97.7	Very high	98.3	Very high	76 Å²	76	50.2 Å²	50.2	33%	0.33	25%	0.247	S	C	.	.	H	α-helix	trans	-60.1	-20.1	-178.1	-71	172.3	174.2	156.6	0	113.8	L344 A345 L347 P348 M349 K354 R358	L344-K352 VanDerWaalsContact O-CE 3.23Å; L344-K352 WeakPolarHBondContact O-CE 3.44Å; A345-K352 PolarHBondContact O-NZ 3.13Å; L347-K352 HydrophobicContact CB-CG 4.01Å; L347-K352 WeakPolarHBondContact O-CE 3.46Å; L347-K352 PolarHBondContact O-NZ 3.27Å; P348-K352 PolarHBondContact O-N 2.91Å; P348-K352 VanDerWaalsContact O-N 3.16Å; M349-K352 WeakPolarHBondContact O-CB 3.22Å; M349-K352 PolarHBondContact O-N 3.15Å; K352-K354 VanDerWaalsContact C-N 3.27Å; K352-K354 PolarHBondContact O-N 3.23Å; K352-R358 WeakPolarHBondContact O-CG 3.43Å
353	E	97	Very high	98.3	Very high	125 Å²	125	47.4 Å²	47.4	58%	0.584	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.8	174.1	-61.2	-53.4	141.2	0	0	114.2	M349 A351 R358	M349-E353 PolarHBondContact O-N 3.25Å; A351-E353 PolarHBondContact O-N 2.91Å; E353-R358 WeakPolarHBondContact O-CD 3.13Å
354	K	98.7	Very high	98.3	Very high	80 Å²	80	47 Å²	47	35%	0.348	23%	0.228	S	C	.	.	S	Bend	trans	-65.4	141.5	179.7	-63.7	175.4	-176.6	178.8	0	111.3	E325 A351 K352 E356 W357 R358	E325-K354 IonicContact OE1-NZ 3.9Å; E325-K354 PolarHBondContact OE1-NZ 3.5Å; E325-K354 IonicContact OE2-NZ 2.97Å; A351-K354 WeakPolarHBondContact O-CB 3.4Å; A351-K354 VanDerWaalsContact O-CG 3.31Å; A351-K354 WeakPolarHBondContact O-CG 3.49Å; A351-K354 PolarHBondContact O-N 3.44Å; K352-K354 VanDerWaalsContact C-N 3.27Å; K352-K354 PolarHBondContact O-N 3.23Å; K354-E356 VanDerWaalsContact C-N 3.26Å; K354-E356 HydrophobicContact CB-CG 4.21Å; K354-E356 PolarHBondContact O-N 3.33Å; K354-E356 VanDerWaalsContact O-N 3.15Å; K354-W357 PolarHBondContact O-N 3.39Å; K354-R358 PolarHBondContact O-N 2.97Å
355	D	98.7	Very high	98.3	Very high	43 Å²	43	47.4 Å²	47.4	23%	0.23	23%	0.23	C	C	.	.	H	α-helix	trans	-50.9	-43.2	-177.8	-64.4	-3.3	0	0	0	113.1	W357 R358 Y359 L381 Q384 Y388	D355-W357 VanDerWaalsContact C-N 3.34Å; D355-W357 PolarHBondContact O-N 3.34Å; D355-R358 PolarHBondContact O-N 2.68Å; D355-Y359 PolarHBondContact O-N 2.96Å; D355-L381 HydrophobicContact CB-CD2 4.04Å; D355-Q384 PolarHBondContact OD1-NE2 2.83Å; D355-Q384 PolarHBondContact OD2-NE2 3.18Å; D355-Y388 HydrophobicContact CB-CD2 4.15Å; D355-Y388 HydrophobicContact CB-CG 4.26Å
356	E	98.7	Very high	98.3	Very high	34 Å²	34	46.7 Å²	46.7	16%	0.159	22%	0.218	C	C	.	.	H	α-helix	trans	-57.4	-45.3	177.6	51.6	-98.3	-129.7	0	0	112.9	R329 K354 Y359 W360 Y388	R329-E356 IonicContact NH2-OE1 2.73Å; K354-E356 VanDerWaalsContact C-N 3.26Å; K354-E356 HydrophobicContact CB-CG 4.21Å; K354-E356 PolarHBondContact O-N 3.33Å; K354-E356 VanDerWaalsContact O-N 3.15Å; E356-Y359 PolarHBondContact O-N 3.28Å; E356-W360 PolarHBondContact O-N 3.17Å; E356-Y388 HydrophobicContact CB-CD2 4.04Å; E356-Y388 HydrophobicContact CB-CE1 4.46Å; E356-Y388 HydrophobicContact CB-CE2 3.34Å
357	W	98.8	Very high	98.2	Very high	2 Å²	2	47 Å²	47	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-81.1	-28.3	-172.6	-53.5	135.5	0	0	0	111.8	E325 V328 R329 L332 L347 A351 K354 D355 W360 Q361 E613	E325-W357 HydrophobicContact CB-CZ2 3.81Å; E325-W357 HydrophobicContact CG-CZ2 3.62Å; E325-W357 PolarHBondContact OE1-NE1 2.95Å; V328-W357 HydrophobicContact CB-CH2 4.18Å; V328-W357 HydrophobicContact CB-CZ3 4.19Å; V328-W357 HydrophobicContact CG1-CE3 3.95Å; V328-W357 HydrophobicContact CG1-CH2 3.87Å; V328-W357 HydrophobicContact CG1-CZ3 3.38Å; R329-W357 HydrophobicContact CG-CH2 3.99Å; L332-W357 HydrophobicContact CD1-CZ3 4.19Å; L347-W357 HydrophobicContact CD1-CB 4.25Å; L347-W357 HydrophobicContact CD1-CD2 3.82Å; L347-W357 HydrophobicContact CD1-CG 3.65Å; A351-W357 VanDerWaalsContact O-CD1 3.23Å; K354-W357 PolarHBondContact O-N 3.39Å; D355-W357 VanDerWaalsContact C-N 3.34Å; D355-W357 PolarHBondContact O-N 3.34Å; W357-W360 AromaticContact CE3-CD1 3.99Å; W357-Q361 VanDerWaalsContact O-CB 3.25Å; W357-Q361 WeakPolarHBondContact O-CB 3.42Å; W357-Q361 PolarHBondContact O-N 3.3Å; W357-E613 HydrophobicContact CH2-CG 4.39Å; W357-E613 HydrophobicContact CZ3-CG 4.37Å
358	R	98.8	Very high	98.1	Very high	46 Å²	46	53.2 Å²	53.2	17%	0.174	25%	0.248	C	C	.	.	H	α-helix	trans	-62.7	-46.9	166.3	-70.2	178.1	56.8	-152.3	-3.2	111.4	K352 E353 K354 D355 Q361 A362 I377 L381	K352-R358 WeakPolarHBondContact O-CG 3.43Å; E353-R358 WeakPolarHBondContact O-CD 3.13Å; K354-R358 PolarHBondContact O-N 2.97Å; D355-R358 PolarHBondContact O-N 2.68Å; R358-Q361 PolarHBondContact O-N 3.42Å; R358-A362 PolarHBondContact O-N 3.07Å; R358-I377 HydrophobicContact CB-CG2 3.97Å; R358-I377 WeakPolarHBondContact O-CG2 3.3Å; R358-L381 HydrophobicContact CB-CD1 4.23Å; R358-L381 HydrophobicContact CB-CD2 4.33Å; R358-L381 HydrophobicContact CB-CG 4.49Å
359	Y	98.9	Very high	98.1	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-48.4	176.3	173.1	-94.9	0	0	0	112	D355 E356 Q361 A362 D363 L378 Y388 V391 R395 V609	D355-Y359 PolarHBondContact O-N 2.96Å; E356-Y359 PolarHBondContact O-N 3.28Å; Y359-Q361 VanDerWaalsContact C-N 3.28Å; Y359-Q361 PolarHBondContact O-N 3.42Å; Y359-A362 WeakPolarHBondContact O-CB 3.4Å; Y359-A362 PolarHBondContact O-N 3.41Å; Y359-A362 VanDerWaalsContact O-N 3.13Å; Y359-D363 PolarHBondContact O-N 2.79Å; Y359-L378 HydrophobicContact CD2-CD2 3.79Å; Y359-L378 HydrophobicContact CE2-CD2 4.22Å; Y359-Y388 VanDerWaalsContact CB-CD1 3.45Å; Y359-Y388 AromaticContact CD1-CD1 3.94Å; Y359-Y388 HydrophobicContact CD1-CD1 3.94Å; Y359-Y388 AromaticContact CD1-CE1 3.56Å; Y359-Y388 HydrophobicContact CD1-CE1 3.56Å; Y359-Y388 HydrophobicContact CD2-CD1 4.25Å; Y359-Y388 HydrophobicContact CE1-CE1 4.36Å; Y359-Y388 AromaticContact CG-CD1 3.6Å; Y359-Y388 HydrophobicContact CG-CD1 3.6Å; Y359-Y388 AromaticContact CG-CE1 3.73Å; Y359-Y388 HydrophobicContact CG-CE1 3.73Å; Y359-V391 HydrophobicContact CD2-CG1 3.93Å; Y359-V391 HydrophobicContact CE1-CG1 4.28Å; Y359-V391 HydrophobicContact CE2-CB 4.45Å; Y359-V391 HydrophobicContact CE2-CG1 3.36Å; Y359-R395 HydrophobicContact CE2-CB 4.41Å; Y359-R395 HydrophobicContact CE2-CG 4.43Å; Y359-R395 PolarHBondContact OH-NH1 3.31Å; Y359-V609 HydrophobicContact CD1-CG1 4.18Å; Y359-V609 HydrophobicContact CE1-CB 4.24Å; Y359-V609 HydrophobicContact CE1-CG1 3.63Å
360	W	98.8	Very high	98.2	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-68.8	-26.4	-179.5	-73.2	114.7	0	0	0	113.3	L332 L340 L344 E356 W357 D363 L364 Y388 V609 A610	L332-W360 HydrophobicContact CD1-CD2 4.02Å; L332-W360 HydrophobicContact CD1-CG 4.18Å; L332-W360 HydrophobicContact CD1-CZ2 4.07Å; L332-W360 HydrophobicContact CD2-CD2 3.46Å; L332-W360 VanDerWaalsContact CD2-CD2 3.46Å; L332-W360 HydrophobicContact CD2-CE3 3.45Å; L332-W360 VanDerWaalsContact CD2-CE3 3.45Å; L332-W360 HydrophobicContact CD2-CG 4.18Å; L332-W360 HydrophobicContact CD2-CH2 3.78Å; L332-W360 HydrophobicContact CD2-CZ2 3.75Å; L332-W360 HydrophobicContact CD2-CZ3 3.61Å; L332-W360 HydrophobicContact CG-CD2 4.4Å; L332-W360 HydrophobicContact CG-CZ2 4.49Å; L340-W360 HydrophobicContact CD2-CE3 4.07Å; L344-W360 HydrophobicContact CD1-CB 3.65Å; E356-W360 PolarHBondContact O-N 3.17Å; W357-W360 AromaticContact CE3-CD1 3.99Å; W360-D363 HydrophobicContact CE3-CB 3.93Å; W360-D363 HydrophobicContact CZ3-CB 4.35Å; W360-L364 WeakPolarHBondContact O-CG 3.17Å; W360-L364 PolarHBondContact O-N 3.43Å; W360-Y388 PolarHBondContact NE1-OH 3.15Å; W360-V609 HydrophobicContact CH2-CB 4.23Å; W360-V609 HydrophobicContact CH2-CG1 4.36Å; W360-V609 HydrophobicContact CZ2-CB 4.11Å; W360-V609 HydrophobicContact CZ2-CG1 3.81Å; W360-A610 HydrophobicContact CH2-CB 3.63Å; W360-A610 VanDerWaalsContact CZ2-CA 3.5Å; W360-A610 HydrophobicContact CZ2-CB 4.08Å
361	Q	98.7	Very high	98.2	Very high	65 Å²	65	53.3 Å²	53.3	30%	0.304	25%	0.253	S	S	.	.	H	α-helix	trans	-67.2	-44.6	169	178.3	64.1	2.6	0	0	111.2	L344 W357 R358 Y359 D363 L364 L365 I377	L344-Q361 HydrophobicContact CD2-CB 4.32Å; W357-Q361 VanDerWaalsContact O-CB 3.25Å; W357-Q361 WeakPolarHBondContact O-CB 3.42Å; W357-Q361 PolarHBondContact O-N 3.3Å; R358-Q361 PolarHBondContact O-N 3.42Å; Y359-Q361 VanDerWaalsContact C-N 3.28Å; Y359-Q361 PolarHBondContact O-N 3.42Å; Q361-D363 VanDerWaalsContact C-N 3.31Å; Q361-D363 PolarHBondContact O-N 2.95Å; Q361-L364 PolarHBondContact O-N 2.98Å; Q361-L365 HydrophobicContact CG-CD1 4.22Å; Q361-L365 WeakPolarHBondContact O-CG 3.22Å; Q361-L365 PolarHBondContact O-N 3.47Å; Q361-I377 HydrophobicContact CG-CD1 4.23Å
362	A	98.7	Very high	98.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-39.6	174.4	0	0	0	0	0	111.9	R358 Y359 L364 L365 L366 A374 I377 L378	R358-A362 PolarHBondContact O-N 3.07Å; Y359-A362 WeakPolarHBondContact O-CB 3.4Å; Y359-A362 PolarHBondContact O-N 3.41Å; Y359-A362 VanDerWaalsContact O-N 3.13Å; A362-L364 PolarHBondContact O-N 3.28Å; A362-L365 PolarHBondContact O-N 3.21Å; A362-L365 VanDerWaalsContact O-N 3.14Å; A362-L366 WeakPolarHBondContact O-CG 3.3Å; A362-L366 PolarHBondContact O-N 3.46Å; A362-A374 HydrophobicContact CB-CB 4.34Å; A362-A374 WeakPolarHBondContact O-CB 3.41Å; A362-I377 HydrophobicContact CB-CB 4.08Å; A362-I377 HydrophobicContact CB-CD1 4.46Å; A362-I377 HydrophobicContact CB-CG2 4.01Å; A362-L378 HydrophobicContact CB-CD1 4.4Å; A362-L378 HydrophobicContact CB-CD2 3.78Å; A362-L378 HydrophobicContact CB-CG 3.85Å
363	D	98.6	Very high	98.2	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.043	29%	0.287	C	S	.	.	H	α-helix	trans	-59.1	-44	175.8	-178.6	-106	0	0	0	112.7	R337 Y359 W360 Q361 L365 L366 E367 R395	R337-D363 IonicContact CZ-OD1 3.64Å; R337-D363 IonicContact NH1-OD1 3.7Å; R337-D363 PolarHBondContact NH1-OD1 3.25Å; R337-D363 IonicContact NH2-OD1 3.56Å; R337-D363 PolarHBondContact NH2-OD1 3.03Å; Y359-D363 PolarHBondContact O-N 2.79Å; W360-D363 HydrophobicContact CE3-CB 3.93Å; W360-D363 HydrophobicContact CZ3-CB 4.35Å; Q361-D363 VanDerWaalsContact C-N 3.31Å; Q361-D363 PolarHBondContact O-N 2.95Å; D363-L365 VanDerWaalsContact C-N 3.34Å; D363-L366 PolarHBondContact O-N 3.29Å; D363-E367 PolarHBondContact O-N 2.87Å; D363-R395 IonicContact OD2-CZ 2.99Å; D363-R395 VanDerWaalsContact OD2-CZ 3.26Å; D363-R395 IonicContact OD2-NH1 3.28Å; D363-R395 PolarHBondContact OD2-NH1 2.96Å; D363-R395 IonicContact OD2-NH2 3.51Å; D363-R395 PolarHBondContact OD2-NH2 2.97Å
364	L	98.5	Very high	98.3	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-65.5	-36	173.9	-72.8	172.7	0	0	0	112.7	L340 N341 L344 W360 Q361 A362 R368	L340-L364 HydrophobicContact CD2-CD2 3.92Å; L340-L364 HydrophobicContact CD2-CG 4.08Å; L340-L364 HydrophobicContact CG-CD1 4.17Å; L340-L364 HydrophobicContact CG-CD2 4.12Å; L340-L364 HydrophobicContact CG-CG 4.25Å; N341-L364 HydrophobicContact CB-CD1 4.03Å; N341-L364 HydrophobicContact CB-CD2 4.14Å; L344-L364 HydrophobicContact CD1-CD1 4.2Å; W360-L364 WeakPolarHBondContact O-CG 3.17Å; W360-L364 PolarHBondContact O-N 3.43Å; Q361-L364 PolarHBondContact O-N 2.98Å; A362-L364 PolarHBondContact O-N 3.28Å; L364-R368 WeakPolarHBondContact O-CG 3.22Å; L364-R368 PolarHBondContact O-N 3.47Å
365	L	98.5	Very high	98.3	Very high	12 Å²	12	51 Å²	51	6%	0.063	26%	0.258	C	S	.	.	H	α-helix	trans	-69	-40.3	178.5	-74.4	166.3	0	0	0	111.5	Q361 A362 D363 E367 R368 G369 R370 E373 A374 I377	Q361-L365 HydrophobicContact CG-CD1 4.22Å; Q361-L365 WeakPolarHBondContact O-CG 3.22Å; Q361-L365 PolarHBondContact O-N 3.47Å; A362-L365 PolarHBondContact O-N 3.21Å; A362-L365 VanDerWaalsContact O-N 3.14Å; D363-L365 VanDerWaalsContact C-N 3.34Å; L365-E367 PolarHBondContact O-N 2.7Å; L365-R368 CarbonylContact O-C 3.52Å; L365-R368 PolarHBondContact O-N 3.04Å; L365-R368 VanDerWaalsContact O-N 3.14Å; L365-G369 PolarHBondContact O-N 3.19Å; L365-R370 HydrophobicContact CB-CB 4.06Å; L365-R370 HydrophobicContact CD2-CB 3.75Å; L365-R370 HydrophobicContact CD2-CG 4.06Å; L365-R370 WeakPolarHBondContact O-CB 3.45Å; L365-R370 PolarHBondContact O-N 3.34Å; L365-E373 HydrophobicContact CD1-CB 4.33Å; L365-E373 HydrophobicContact CD1-CG 3.84Å; L365-E373 HydrophobicContact CD2-CG 4.48Å; L365-A374 HydrophobicContact CB-CB 3.67Å; L365-I377 HydrophobicContact CD1-CD1 3.73Å
366	L	98.2	Very high	98.3	Very high	47 Å²	47	53.6 Å²	53.6	25%	0.246	27%	0.269	C	S	.	.	H	α-helix	trans	-58.7	-47.3	174.1	-73.6	172.5	0	0	0	111.5	A362 D363 R368 G369 A374 L378 R395	A362-L366 WeakPolarHBondContact O-CG 3.3Å; A362-L366 PolarHBondContact O-N 3.46Å; D363-L366 PolarHBondContact O-N 3.29Å; L366-R368 PolarHBondContact O-N 3.12Å; L366-G369 PolarHBondContact O-N 3.04Å; L366-A374 HydrophobicContact CD2-CB 3.71Å; L366-A374 HydrophobicContact CG-CB 3.63Å; L366-L378 HydrophobicContact CD1-CD1 4.25Å; L366-R395 HydrophobicContact CD1-CG 4.42Å
367	E	96.4	Very high	98.3	Very high	123 Å²	123	53.7 Å²	53.7	58%	0.575	27%	0.27	S	S	*	.	H	α-helix	trans	-62.4	-29.2	177.6	-172.2	179.8	-169.2	0	0	112.4	R337 D363 L365 G369	R337-E367 IonicContact CZ-OE2 2.74Å; R337-E367 IonicContact NE-OE1 3.78Å; R337-E367 IonicContact NE-OE2 2.78Å; R337-E367 PolarHBondContact NE-OE2 3.41Å; R337-E367 IonicContact NH2-OE2 2.65Å; R337-E367 PolarHBondContact NH2-OE2 3.31Å; D363-E367 PolarHBondContact O-N 2.87Å; L365-E367 PolarHBondContact O-N 2.7Å; E367-G369 VanDerWaalsContact C-N 3.28Å; E367-G369 PolarHBondContact O-N 3.22Å
368	R	97	Very high	98.3	Very high	135 Å²	135	53.6 Å²	53.6	51%	0.509	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	5.3	175.7	-72.2	-171	175.5	117.2	-6.7	114.6	N341 L364 L365 L366 R370	N341-R368 PolarHBondContact ND2-NH1 3.26Å; N341-R368 PolarHBondContact ND2-NH2 2.84Å; N341-R368 VanDerWaalsContact ND2-NH2 3.1Å; N341-R368 PolarHBondContact OD1-NH2 3.35Å; L364-R368 WeakPolarHBondContact O-CG 3.22Å; L364-R368 PolarHBondContact O-N 3.47Å; L365-R368 CarbonylContact O-C 3.52Å; L365-R368 PolarHBondContact O-N 3.04Å; L365-R368 VanDerWaalsContact O-N 3.14Å; L366-R368 PolarHBondContact O-N 3.12Å; R368-R370 HydrophobicContact CB-CG 4.26Å; R368-R370 PolarHBondContact O-N 3.43Å
369	G	97.7	Very high	98.3	Very high	63 Å²	63	54.3 Å²	54.3	65%	0.649	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	16.2	-177.3	0	0	0	0	0	114.2	L365 L366 E367 E371	L365-G369 PolarHBondContact O-N 3.19Å; L366-G369 PolarHBondContact O-N 3.04Å; E367-G369 VanDerWaalsContact C-N 3.28Å; E367-G369 PolarHBondContact O-N 3.22Å; G369-E371 PolarHBondContact O-N 3.19Å; G369-E371 VanDerWaalsContact O-N 3.14Å
370	R	98.2	Very high	98.3	Very high	142 Å²	142	57.8 Å²	57.8	54%	0.536	29%	0.291	S	S	.	.			trans	-89	58	177.7	-64.6	-73.5	-66.1	-140.6	-0.9	110.3	L365 R368 A372 E373 A374	L365-R370 HydrophobicContact CB-CB 4.06Å; L365-R370 HydrophobicContact CD2-CB 3.75Å; L365-R370 HydrophobicContact CD2-CG 4.06Å; L365-R370 WeakPolarHBondContact O-CB 3.45Å; L365-R370 PolarHBondContact O-N 3.34Å; R368-R370 HydrophobicContact CB-CG 4.26Å; R368-R370 PolarHBondContact O-N 3.43Å; R370-A372 PolarHBondContact O-N 3Å; R370-E373 IonicContact CZ-OE2 3.93Å; R370-E373 VanDerWaalsContact CZ-OE2 3.32Å; R370-E373 IonicContact NE-OE2 3.68Å; R370-E373 PolarHBondContact NE-OE2 3.42Å; R370-E373 VanDerWaalsContact NE-OE2 3.13Å; R370-E373 IonicContact NH2-OE2 2.73Å; R370-E373 PolarHBondContact NH2-OE2 3.48Å; R370-E373 PolarHBondContact O-N 2.94Å; R370-A374 WeakPolarHBondContact O-CB 3.19Å; R370-A374 PolarHBondContact O-N 3.23Å
371	E	97.7	Very high	98.3	Very high	108 Å²	108	57.7 Å²	57.7	51%	0.505	29%	0.291	S	S	.	.	H	α-helix	trans	-60.6	-46	-167.4	-171.3	178.2	175.1	0	0	113.4	G369 E373 A374 K375	G369-E371 PolarHBondContact O-N 3.19Å; G369-E371 VanDerWaalsContact O-N 3.14Å; E371-E373 PolarHBondContact O-N 3.14Å; E371-A374 PolarHBondContact O-N 3.01Å; E371-K375 HydrophobicContact CG-CD 3.93Å; E371-K375 HydrophobicContact CG-CG 4.33Å; E371-K375 WeakPolarHBondContact O-CB 3.49Å; E371-K375 WeakPolarHBondContact O-CG 3.09Å; E371-K375 PolarHBondContact O-N 3.24Å; E371-K375 WeakPolarHBondContact OE1-CE 3.21Å; E371-K375 IonicContact OE1-NZ 3.7Å; E371-K375 PolarHBondContact OE1-NZ 3.37Å
372	A	98.2	Very high	98.3	Very high	86 Å²	86	55.9 Å²	55.9	71%	0.711	28%	0.283	S	S	*	.	H	α-helix	trans	-60.9	-47.1	-178.7	0	0	0	0	0	112.5	R370 K375 E376	R370-A372 PolarHBondContact O-N 3Å; A372-K375 PolarHBondContact O-N 2.93Å; A372-E376 PolarHBondContact O-N 2.86Å
373	E	98.2	Very high	98.2	Very high	78 Å²	78	62.4 Å²	62.4	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-66.6	-39.9	179.7	-169.6	-178.1	170.4	0	0	111.6	L365 R370 E371 I377	L365-E373 HydrophobicContact CD1-CB 4.33Å; L365-E373 HydrophobicContact CD1-CG 3.84Å; L365-E373 HydrophobicContact CD2-CG 4.48Å; R370-E373 IonicContact CZ-OE2 3.93Å; R370-E373 VanDerWaalsContact CZ-OE2 3.32Å; R370-E373 IonicContact NE-OE2 3.68Å; R370-E373 PolarHBondContact NE-OE2 3.42Å; R370-E373 VanDerWaalsContact NE-OE2 3.13Å; R370-E373 IonicContact NH2-OE2 2.73Å; R370-E373 PolarHBondContact NH2-OE2 3.48Å; R370-E373 PolarHBondContact O-N 2.94Å; E371-E373 PolarHBondContact O-N 3.14Å; E373-I377 WeakPolarHBondContact O-CG1 3.43Å; E373-I377 PolarHBondContact O-N 3.01Å
374	A	98.5	Very high	98.2	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-65.3	-47.2	176.3	0	0	0	0	0	112	A362 L365 L366 R370 E371 E376 I377 L378	A362-A374 HydrophobicContact CB-CB 4.34Å; A362-A374 WeakPolarHBondContact O-CB 3.41Å; L365-A374 HydrophobicContact CB-CB 3.67Å; L366-A374 HydrophobicContact CD2-CB 3.71Å; L366-A374 HydrophobicContact CG-CB 3.63Å; R370-A374 WeakPolarHBondContact O-CB 3.19Å; R370-A374 PolarHBondContact O-N 3.23Å; E371-A374 PolarHBondContact O-N 3.01Å; A374-E376 VanDerWaalsContact C-N 3.34Å; A374-E376 PolarHBondContact O-N 3.41Å; A374-I377 PolarHBondContact O-N 3.4Å; A374-L378 WeakPolarHBondContact O-CG 3.47Å; A374-L378 PolarHBondContact O-N 3.45Å; A374-L378 VanDerWaalsContact O-N 3.11Å
375	K	98.5	Very high	98.2	Very high	73 Å²	73	69 Å²	69	32%	0.317	34%	0.34	S	S	.	.	H	α-helix	trans	-64.6	-37.1	-179.1	-76.9	-175.5	171	176	0	112	E371 A372 I377 L378 H379 I396	E371-K375 HydrophobicContact CG-CD 3.93Å; E371-K375 HydrophobicContact CG-CG 4.33Å; E371-K375 WeakPolarHBondContact O-CB 3.49Å; E371-K375 WeakPolarHBondContact O-CG 3.09Å; E371-K375 PolarHBondContact O-N 3.24Å; E371-K375 WeakPolarHBondContact OE1-CE 3.21Å; E371-K375 IonicContact OE1-NZ 3.7Å; E371-K375 PolarHBondContact OE1-NZ 3.37Å; A372-K375 PolarHBondContact O-N 2.93Å; K375-I377 VanDerWaalsContact C-N 3.34Å; K375-I377 PolarHBondContact O-N 3Å; K375-L378 CarbonylContact O-C 3.46Å; K375-L378 PolarHBondContact O-N 3.48Å; K375-L378 VanDerWaalsContact O-N 3.12Å; K375-H379 WeakPolarHBondContact O-CB 3.34Å; K375-H379 PolarHBondContact O-N 3Å; K375-H379 PolarHBondContact O-ND1 3.12Å; K375-I396 HydrophobicContact CG-CG2 4.41Å
376	E	98.6	Very high	98.1	Very high	98 Å²	98	69.1 Å²	69.1	46%	0.458	35%	0.345	S	S	.	.	H	α-helix	trans	-57.4	-47	173.1	179.1	57.4	-147.1	0	0	111.5	A372 A374 L378 H379 Q380	A372-E376 PolarHBondContact O-N 2.86Å; A374-E376 VanDerWaalsContact C-N 3.34Å; A374-E376 PolarHBondContact O-N 3.41Å; E376-L378 VanDerWaalsContact C-N 3.28Å; E376-L378 PolarHBondContact O-N 3.47Å; E376-H379 PolarHBondContact O-N 2.88Å; E376-Q380 VanDerWaalsContact O-CG 3.28Å; E376-Q380 WeakPolarHBondContact O-CG 3.31Å; E376-Q380 PolarHBondContact O-N 3.11Å; E376-Q380 VanDerWaalsContact OE1-CG 3.27Å; E376-Q380 WeakPolarHBondContact OE1-CG 3.41Å; E376-Q380 PolarHBondContact OE1-NE2 3.37Å
377	I	98.7	Very high	98.1	Very high	35 Å²	35	67.5 Å²	67.5	18%	0.179	34%	0.336	C	S	.	.	H	α-helix	trans	-59.9	-41.8	177.1	-65	167.2	0	0	0	111	R358 Q361 A362 L365 E373 A374 K375 Q380 L381	R358-I377 HydrophobicContact CB-CG2 3.97Å; R358-I377 WeakPolarHBondContact O-CG2 3.3Å; Q361-I377 HydrophobicContact CG-CD1 4.23Å; A362-I377 HydrophobicContact CB-CB 4.08Å; A362-I377 HydrophobicContact CB-CD1 4.46Å; A362-I377 HydrophobicContact CB-CG2 4.01Å; L365-I377 HydrophobicContact CD1-CD1 3.73Å; E373-I377 WeakPolarHBondContact O-CG1 3.43Å; E373-I377 PolarHBondContact O-N 3.01Å; A374-I377 PolarHBondContact O-N 3.4Å; K375-I377 VanDerWaalsContact C-N 3.34Å; K375-I377 PolarHBondContact O-N 3Å; I377-Q380 PolarHBondContact O-N 2.93Å; I377-L381 HydrophobicContact CG2-CD1 4.34Å; I377-L381 WeakPolarHBondContact O-CG 3.31Å; I377-L381 PolarHBondContact O-N 3.2Å
378	L	98.8	Very high	98.3	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-67.9	-42.4	179.6	-63.4	176.1	0	0	0	111.8	Y359 A362 L366 A374 K375 E376 Q380 L381 M382 A392 R395 I396	Y359-L378 HydrophobicContact CD2-CD2 3.79Å; Y359-L378 HydrophobicContact CE2-CD2 4.22Å; A362-L378 HydrophobicContact CB-CD1 4.4Å; A362-L378 HydrophobicContact CB-CD2 3.78Å; A362-L378 HydrophobicContact CB-CG 3.85Å; L366-L378 HydrophobicContact CD1-CD1 4.25Å; A374-L378 WeakPolarHBondContact O-CG 3.47Å; A374-L378 PolarHBondContact O-N 3.45Å; A374-L378 VanDerWaalsContact O-N 3.11Å; K375-L378 CarbonylContact O-C 3.46Å; K375-L378 PolarHBondContact O-N 3.48Å; K375-L378 VanDerWaalsContact O-N 3.12Å; E376-L378 VanDerWaalsContact C-N 3.28Å; E376-L378 PolarHBondContact O-N 3.47Å; L378-Q380 PolarHBondContact O-N 2.62Å; L378-L381 HydrophobicContact CD2-CD1 4.37Å; L378-L381 WeakPolarHBondContact O-CB 3.4Å; L378-L381 PolarHBondContact O-N 3.49Å; L378-L381 VanDerWaalsContact O-N 3.16Å; L378-M382 VanDerWaalsContact O-CG 3.31Å; L378-M382 WeakPolarHBondContact O-CG 3.48Å; L378-M382 PolarHBondContact O-N 3.4Å; L378-A392 HydrophobicContact CB-CB 4.11Å; L378-A392 HydrophobicContact CD2-CB 3.84Å; L378-R395 HydrophobicContact CD1-CG 4.26Å; L378-I396 HydrophobicContact CB-CG2 4.29Å; L378-I396 HydrophobicContact CD1-CG2 3.44Å; L378-I396 VanDerWaalsContact CD1-CG2 3.44Å; L378-I396 HydrophobicContact CG-CG2 4.49Å
379	H	98.8	Very high	98.4	Very high	61 Å²	61	55.5 Å²	55.5	28%	0.282	29%	0.285	S	S	.	.	H	α-helix	trans	-62.9	-40.3	174.4	-73.2	143.4	0	0	0	112	K375 E376 L381 M382 Q383 I396 E398	K375-H379 WeakPolarHBondContact O-CB 3.34Å; K375-H379 PolarHBondContact O-N 3Å; K375-H379 PolarHBondContact O-ND1 3.12Å; E376-H379 PolarHBondContact O-N 2.88Å; H379-L381 VanDerWaalsContact C-N 3.34Å; H379-L381 PolarHBondContact O-N 2.8Å; H379-M382 PolarHBondContact O-N 3.34Å; H379-Q383 PolarHBondContact O-N 2.79Å; H379-I396 WeakPolarHBondContact NE2-CD1 3.33Å; H379-E398 IonicContact CD2-OE1 3.41Å; H379-E398 IonicContact CD2-OE2 3.51Å; H379-E398 IonicContact CE1-OE1 3.91Å; H379-E398 IonicContact NE2-OE1 3.66Å; H379-E398 PolarHBondContact NE2-OE1 3.15Å; H379-E398 IonicContact NE2-OE2 3.63Å; H379-E398 PolarHBondContact NE2-OE2 3.06Å
380	Q	98.6	Very high	98.4	Very high	74 Å²	74	52.7 Å²	52.7	35%	0.346	26%	0.255	S	S	.	.	H	α-helix	trans	-65.3	-36.5	173.1	-68	-64.6	-37.5	0	0	112.1	E376 I377 L378 Q383	E376-Q380 VanDerWaalsContact O-CG 3.28Å; E376-Q380 WeakPolarHBondContact O-CG 3.31Å; E376-Q380 PolarHBondContact O-N 3.11Å; E376-Q380 VanDerWaalsContact OE1-CG 3.27Å; E376-Q380 WeakPolarHBondContact OE1-CG 3.41Å; E376-Q380 PolarHBondContact OE1-NE2 3.37Å; I377-Q380 PolarHBondContact O-N 2.93Å; L378-Q380 PolarHBondContact O-N 2.62Å; Q380-Q383 PolarHBondContact O-N 2.98Å
381	L	98.8	Very high	98.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.9	-39.8	173.3	-79	170.6	0	0	0	111.4	D355 R358 I377 L378 H379 Q383 Q384 P389 A392	D355-L381 HydrophobicContact CB-CD2 4.04Å; R358-L381 HydrophobicContact CB-CD1 4.23Å; R358-L381 HydrophobicContact CB-CD2 4.33Å; R358-L381 HydrophobicContact CB-CG 4.49Å; I377-L381 HydrophobicContact CG2-CD1 4.34Å; I377-L381 WeakPolarHBondContact O-CG 3.31Å; I377-L381 PolarHBondContact O-N 3.2Å; L378-L381 HydrophobicContact CD2-CD1 4.37Å; L378-L381 WeakPolarHBondContact O-CB 3.4Å; L378-L381 PolarHBondContact O-N 3.49Å; L378-L381 VanDerWaalsContact O-N 3.16Å; H379-L381 VanDerWaalsContact C-N 3.34Å; H379-L381 PolarHBondContact O-N 2.8Å; L381-Q383 PolarHBondContact O-N 3.27Å; L381-Q384 WeakPolarHBondContact O-CB 3.44Å; L381-Q384 PolarHBondContact O-N 2.83Å; L381-P389 WeakPolarHBondContact O-CA 3.49Å; L381-P389 WeakPolarHBondContact O-CB 3.48Å; L381-P389 VanDerWaalsContact O-CG 3.26Å; L381-P389 WeakPolarHBondContact O-CG 3.47Å; L381-A392 HydrophobicContact CB-CB 3.92Å; L381-A392 HydrophobicContact CD1-CB 4.44Å
382	M	98.7	Very high	98.5	Very high	26 Å²	26	40.8 Å²	40.8	13%	0.128	21%	0.206	C	C	.	.	H	α-helix	trans	-62.3	-22.8	-179.7	-72.5	168.9	58.3	0	0	114	L378 H379 Q384 A392 A393 I396 E398	L378-M382 VanDerWaalsContact O-CG 3.31Å; L378-M382 WeakPolarHBondContact O-CG 3.48Å; L378-M382 PolarHBondContact O-N 3.4Å; H379-M382 PolarHBondContact O-N 3.34Å; M382-Q384 PolarHBondContact O-N 3.25Å; M382-A392 HydrophobicContact CG-CB 3.94Å; M382-A393 HydrophobicContact CE-CB 3.94Å; M382-A393 HydrophobicContact CG-CB 3.98Å; M382-A393 HydrophobicContact SD-CB 4.06Å; M382-I396 HydrophobicContact CE-CD1 4.49Å; M382-I396 HydrophobicContact SD-CD1 3.48Å; M382-I396 WeakPolarHBondContact SD-CD1 3.29Å; M382-I396 HydrophobicContact SD-CG1 4.16Å; M382-E398 HydrophobicContact CE-CB 3.73Å; M382-E398 WeakPolarHBondContact CE-OE2 3.43Å
383	Q	97.9	Very high	98.5	Very high	137 Å²	137	36.7 Å²	36.7	64%	0.64	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-11	175.2	-63.9	169.9	35.3	0	0	113.2	H379 Q380 L381	H379-Q383 PolarHBondContact O-N 2.79Å; Q380-Q383 PolarHBondContact O-N 2.98Å; L381-Q383 PolarHBondContact O-N 3.27Å
384	Q	98	Very high	98.5	Very high	69 Å²	69	34.7 Å²	34.7	32%	0.322	16%	0.163	S	C	.	.	S	Bend	trans	-98.2	174.4	179.5	-61.8	174	-159.8	0	0	111.4	D355 L381 M382 P389 Y400	D355-Q384 PolarHBondContact OD1-NE2 2.83Å; D355-Q384 PolarHBondContact OD2-NE2 3.18Å; L381-Q384 WeakPolarHBondContact O-CB 3.44Å; L381-Q384 PolarHBondContact O-N 2.83Å; M382-Q384 PolarHBondContact O-N 3.25Å; Q384-P389 HydrophobicContact CB-CG 3.73Å; Q384-P389 WeakPolarHBondContact O-CB 3.23Å; Q384-Y400 PolarHBondContact O-OH 3.41Å
385	R	97.7	Very high	98.5	Very high	80 Å²	80	38.4 Å²	38.4	30%	0.302	18%	0.177	S	C	.	.			trans	-110	126.8	177.6	179	-161.3	63.8	-96.7	-12.1	111.8	Y400 W478 D479 Y633	R385-Y400 WeakPolarHBondContact CA-OH 3.23Å; R385-W478 WeakPolarHBondContact CD-O 3.42Å; R385-W478 VanDerWaalsContact NH1-CB 3.27Å; R385-D479 IonicContact CZ-OD1 3.62Å; R385-D479 IonicContact NH1-OD1 3.71Å; R385-D479 PolarHBondContact NH1-OD1 2.95Å; R385-D479 IonicContact NH1-OD2 2.79Å; R385-Y633 WeakPolarHBondContact CG-OH 3.36Å
386	G	97.4	Very high	98.5	Very high	16 Å²	16	36.6 Å²	36.6	17%	0.165	17%	0.17	C	C	.	.	S	Bend	trans	148.7	-166.1	168.7	0	0	0	0	0	113.8	P389 M390	G386-P389 WeakPolarHBondContact O-CD 3.07Å; G386-M390 WeakPolarHBondContact O-CG 3.5Å; G386-M390 PolarHBondContact O-N 3.36Å
387	F	98.8	Very high	98.5	Very high	13 Å²	13	35.3 Å²	35.3	6%	0.057	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-55.8	-178.9	175.9	-97.6	0	0	0	112.7	M390 V391 V609 V612 K625 L628 L644 M645	F387-M390 WeakPolarHBondContact O-CB 3.31Å; F387-M390 PolarHBondContact O-N 3.19Å; F387-V391 HydrophobicContact CD1-CG2 4Å; F387-V391 HydrophobicContact CE1-CG2 3.62Å; F387-V391 HydrophobicContact CE2-CG2 4.21Å; F387-V391 HydrophobicContact CG-CG2 4.47Å; F387-V391 HydrophobicContact CZ-CG2 3.73Å; F387-V391 WeakPolarHBondContact O-CG2 3.2Å; F387-V391 PolarHBondContact O-N 2.96Å; F387-V609 HydrophobicContact CE1-CG1 4.46Å; F387-V612 HydrophobicContact CE1-CG1 4.22Å; F387-V612 HydrophobicContact CZ-CB 4.32Å; F387-V612 HydrophobicContact CZ-CG1 3.89Å; F387-V612 HydrophobicContact CZ-CG2 4.42Å; F387-K625 HydrophobicContact CB-CB 3.98Å; F387-K625 HydrophobicContact CB-CG 4.3Å; F387-K625 HydrophobicContact CD1-CB 4.4Å; F387-K625 HydrophobicContact CD1-CD 4.21Å; F387-K625 HydrophobicContact CD1-CG 3.82Å; F387-K625 HydrophobicContact CD2-CB 4.11Å; F387-K625 HydrophobicContact CD2-CG 4.17Å; F387-K625 HydrophobicContact CE1-CG 4.15Å; F387-K625 HydrophobicContact CE2-CG 4.49Å; F387-K625 HydrophobicContact CG-CB 3.9Å; F387-K625 HydrophobicContact CG-CD 4.48Å; F387-K625 HydrophobicContact CG-CG 3.82Å; F387-K625 HydrophobicContact CZ-CG 4.48Å; F387-L628 HydrophobicContact CD2-CB 4.38Å; F387-L628 HydrophobicContact CE2-CB 4.33Å; F387-L628 HydrophobicContact CE2-CD1 3.81Å; F387-L644 HydrophobicContact CD2-CD1 4.33Å; F387-L644 HydrophobicContact CD2-CD2 4.13Å; F387-L644 HydrophobicContact CE2-CD2 3.92Å; F387-M645 HydrophobicContact CE2-CE 4.2Å; F387-M645 HydrophobicContact CZ-CE 4.1Å
388	Y	98.9	Very high	98.5	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.02	19%	0.194	C	C	.	.	H	α-helix	trans	-67.2	-37.1	-177.2	-84	-71	0	0	0	114.8	D355 E356 Y359 W360 M390 V391 A392 V609 E613	D355-Y388 HydrophobicContact CB-CD2 4.15Å; D355-Y388 HydrophobicContact CB-CG 4.26Å; E356-Y388 HydrophobicContact CB-CD2 4.04Å; E356-Y388 HydrophobicContact CB-CE1 4.46Å; E356-Y388 HydrophobicContact CB-CE2 3.34Å; Y359-Y388 VanDerWaalsContact CB-CD1 3.45Å; Y359-Y388 AromaticContact CD1-CD1 3.94Å; Y359-Y388 HydrophobicContact CD1-CD1 3.94Å; Y359-Y388 AromaticContact CD1-CE1 3.56Å; Y359-Y388 HydrophobicContact CD1-CE1 3.56Å; Y359-Y388 HydrophobicContact CD2-CD1 4.25Å; Y359-Y388 HydrophobicContact CE1-CE1 4.36Å; Y359-Y388 AromaticContact CG-CD1 3.6Å; Y359-Y388 HydrophobicContact CG-CD1 3.6Å; Y359-Y388 AromaticContact CG-CE1 3.73Å; Y359-Y388 HydrophobicContact CG-CE1 3.73Å; W360-Y388 PolarHBondContact NE1-OH 3.15Å; Y388-M390 VanDerWaalsContact C-N 3.27Å; Y388-M390 PolarHBondContact O-N 3.34Å; Y388-V391 HydrophobicContact CD1-CB 4.46Å; Y388-V391 WeakPolarHBondContact O-CB 3.41Å; Y388-V391 PolarHBondContact O-N 2.96Å; Y388-A392 WeakPolarHBondContact O-CB 3.44Å; Y388-A392 PolarHBondContact O-N 3.4Å; Y388-V609 HydrophobicContact CE1-CG1 3.88Å; Y388-E613 WeakPolarHBondContact CE2-OE2 3.49Å; Y388-E613 WeakPolarHBondContact OH-CB 3.45Å; Y388-E613 VanDerWaalsContact OH-CD 3.27Å; Y388-E613 WeakPolarHBondContact OH-CG 3.32Å; Y388-E613 PolarHBondContact OH-OE2 3.17Å
389	P	98.9	Very high	98.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-52.1	-42.9	167.2	-34.3	40	0	0	0	114	L381 Q384 G386 A392 A393 Y400	L381-P389 WeakPolarHBondContact O-CA 3.49Å; L381-P389 WeakPolarHBondContact O-CB 3.48Å; L381-P389 VanDerWaalsContact O-CG 3.26Å; L381-P389 WeakPolarHBondContact O-CG 3.47Å; Q384-P389 HydrophobicContact CB-CG 3.73Å; Q384-P389 WeakPolarHBondContact O-CB 3.23Å; G386-P389 WeakPolarHBondContact O-CD 3.07Å; P389-A392 PolarHBondContact O-N 3.23Å; P389-A393 PolarHBondContact O-N 3.4Å; P389-Y400 HydrophobicContact CB-CE2 3.67Å
390	M	98.8	Very high	98.4	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.02	21%	0.21	C	C	.	.	H	α-helix	trans	-72.2	-36.3	176.2	-65.2	171.9	175	0	0	112.8	G386 F387 Y388 A392 Q394 Y400 L402 A629 A632 Y633 L644	G386-M390 WeakPolarHBondContact O-CG 3.5Å; G386-M390 PolarHBondContact O-N 3.36Å; F387-M390 WeakPolarHBondContact O-CB 3.31Å; F387-M390 PolarHBondContact O-N 3.19Å; Y388-M390 VanDerWaalsContact C-N 3.27Å; Y388-M390 PolarHBondContact O-N 3.34Å; M390-A392 VanDerWaalsContact C-N 3.3Å; M390-Q394 PolarHBondContact O-N 3.23Å; M390-Q394 VanDerWaalsContact O-N 3.12Å; M390-Y400 HydrophobicContact CE-CD1 4.13Å; M390-Y400 HydrophobicContact CE-CE1 3.7Å; M390-Y400 HydrophobicContact CG-CD1 3.72Å; M390-Y400 HydrophobicContact CG-CD2 4.21Å; M390-Y400 HydrophobicContact CG-CE1 3.76Å; M390-Y400 HydrophobicContact CG-CE2 4.27Å; M390-Y400 HydrophobicContact CG-CG 3.94Å; M390-L402 HydrophobicContact CE-CD2 4.3Å; M390-A629 HydrophobicContact CE-CB 4.46Å; M390-A629 HydrophobicContact SD-CB 4.06Å; M390-A632 HydrophobicContact CE-CB 4.11Å; M390-A632 HydrophobicContact SD-CB 4.02Å; M390-Y633 HydrophobicContact CE-CD1 3.83Å; M390-Y633 HydrophobicContact CE-CE1 3.15Å; M390-Y633 HydrophobicContact CE-CE2 4.47Å; M390-L644 HydrophobicContact CB-CB 4.1Å; M390-L644 HydrophobicContact CB-CD1 4.15Å; M390-L644 HydrophobicContact CB-CD2 4.04Å; M390-L644 HydrophobicContact CB-CG 4.33Å; M390-L644 HydrophobicContact SD-CD1 3.9Å
391	V	98.9	Very high	98.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-42.4	172.3	175.1	0	0	0	0	110.3	Y359 F387 Y388 Q394 R395 V609 L644 W650	Y359-V391 HydrophobicContact CD2-CG1 3.93Å; Y359-V391 HydrophobicContact CE1-CG1 4.28Å; Y359-V391 HydrophobicContact CE2-CB 4.45Å; Y359-V391 HydrophobicContact CE2-CG1 3.36Å; F387-V391 HydrophobicContact CD1-CG2 4Å; F387-V391 HydrophobicContact CE1-CG2 3.62Å; F387-V391 HydrophobicContact CE2-CG2 4.21Å; F387-V391 HydrophobicContact CG-CG2 4.47Å; F387-V391 HydrophobicContact CZ-CG2 3.73Å; F387-V391 WeakPolarHBondContact O-CG2 3.2Å; F387-V391 PolarHBondContact O-N 2.96Å; Y388-V391 HydrophobicContact CD1-CB 4.46Å; Y388-V391 WeakPolarHBondContact O-CB 3.41Å; Y388-V391 PolarHBondContact O-N 2.96Å; V391-Q394 PolarHBondContact O-N 2.82Å; V391-R395 VanDerWaalsContact O-CB 3.29Å; V391-R395 WeakPolarHBondContact O-CB 3.41Å; V391-R395 PolarHBondContact O-N 3.37Å; V391-V609 HydrophobicContact CG1-CG1 4.08Å; V391-V609 HydrophobicContact CG1-CG2 3.68Å; V391-V609 HydrophobicContact CG2-CG2 4.41Å; V391-L644 HydrophobicContact CB-CD2 4.32Å; V391-L644 HydrophobicContact CG2-CD2 3.38Å; V391-W650 HydrophobicContact CG1-CH2 3.93Å; V391-W650 HydrophobicContact CG1-CZ3 4.18Å
392	A	98.8	Very high	98.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-48.4	-179.8	0	0	0	0	0	111.5	L378 L381 M382 Y388 P389 M390 Q394 R395 I396	L378-A392 HydrophobicContact CB-CB 4.11Å; L378-A392 HydrophobicContact CD2-CB 3.84Å; L381-A392 HydrophobicContact CB-CB 3.92Å; L381-A392 HydrophobicContact CD1-CB 4.44Å; M382-A392 HydrophobicContact CG-CB 3.94Å; Y388-A392 WeakPolarHBondContact O-CB 3.44Å; Y388-A392 PolarHBondContact O-N 3.4Å; P389-A392 PolarHBondContact O-N 3.23Å; M390-A392 VanDerWaalsContact C-N 3.3Å; A392-Q394 PolarHBondContact O-N 3.23Å; A392-R395 PolarHBondContact O-N 2.93Å; A392-I396 PolarHBondContact O-N 3.38Å
393	A	98.8	Very high	98.3	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-57.3	-50.3	175.2	0	0	0	0	0	112.1	M382 P389 R395 I396 G397 E398 Y400	M382-A393 HydrophobicContact CE-CB 3.94Å; M382-A393 HydrophobicContact CG-CB 3.98Å; M382-A393 HydrophobicContact SD-CB 4.06Å; P389-A393 PolarHBondContact O-N 3.4Å; A393-R395 VanDerWaalsContact C-N 3.29Å; A393-R395 PolarHBondContact O-N 3.33Å; A393-I396 PolarHBondContact O-N 3.45Å; A393-G397 PolarHBondContact O-N 2.98Å; A393-G397 VanDerWaalsContact O-N 3.07Å; A393-E398 CarbonylContact C-O 3.26Å; A393-E398 PolarHBondContact O-N 2.83Å; A393-Y400 HydrophobicContact CB-CD2 4.3Å; A393-Y400 HydrophobicContact CB-CG 4.46Å
394	Q	98.7	Very high	98.3	Very high	36 Å²	36	47 Å²	47	17%	0.168	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-33.4	179.3	-176.8	162.4	1.8	0	0	112.6	M390 V391 A392 G397 M645 W650	M390-Q394 PolarHBondContact O-N 3.23Å; M390-Q394 VanDerWaalsContact O-N 3.12Å; V391-Q394 PolarHBondContact O-N 2.82Å; A392-Q394 PolarHBondContact O-N 3.23Å; Q394-G397 PolarHBondContact O-N 3.45Å; Q394-M645 PolarHBondContact NE2-O 3.23Å; Q394-W650 HydrophobicContact CB-CH2 4.33Å; Q394-W650 HydrophobicContact CB-CZ3 4.33Å; Q394-W650 HydrophobicContact CG-CD2 3.95Å; Q394-W650 HydrophobicContact CG-CE3 3.92Å; Q394-W650 HydrophobicContact CG-CH2 4.18Å; Q394-W650 HydrophobicContact CG-CZ2 4.22Å; Q394-W650 HydrophobicContact CG-CZ3 4.03Å
395	R	98.5	Very high	98.3	Very high	78 Å²	78	46.5 Å²	46.5	29%	0.294	24%	0.235	S	C	.	.	H	α-helix	trans	-66.4	-36.3	179.5	179.4	59.5	177.9	-86.7	3.8	112.8	Y359 D363 L366 L378 V391 A392 A393 W650	Y359-R395 HydrophobicContact CE2-CB 4.41Å; Y359-R395 HydrophobicContact CE2-CG 4.43Å; Y359-R395 PolarHBondContact OH-NH1 3.31Å; D363-R395 IonicContact OD2-CZ 2.99Å; D363-R395 VanDerWaalsContact OD2-CZ 3.26Å; D363-R395 IonicContact OD2-NH1 3.28Å; D363-R395 PolarHBondContact OD2-NH1 2.96Å; D363-R395 IonicContact OD2-NH2 3.51Å; D363-R395 PolarHBondContact OD2-NH2 2.97Å; L366-R395 HydrophobicContact CD1-CG 4.42Å; L378-R395 HydrophobicContact CD1-CG 4.26Å; V391-R395 VanDerWaalsContact O-CB 3.29Å; V391-R395 WeakPolarHBondContact O-CB 3.41Å; V391-R395 PolarHBondContact O-N 3.37Å; A392-R395 PolarHBondContact O-N 2.93Å; A393-R395 VanDerWaalsContact C-N 3.29Å; A393-R395 PolarHBondContact O-N 3.33Å; R395-W650 HydrophobicContact CB-CH2 4.27Å; R395-W650 HydrophobicContact CB-CZ2 4.17Å
396	I	98.3	Very high	98.4	Very high	34 Å²	34	50.6 Å²	50.6	17%	0.174	26%	0.255	C	S	.	.	H	α-helix	trans	-98.5	0.1	-179.3	67.3	-178.9	0	0	0	113.6	K375 L378 H379 M382 A392 A393 E398	K375-I396 HydrophobicContact CG-CG2 4.41Å; L378-I396 HydrophobicContact CB-CG2 4.29Å; L378-I396 HydrophobicContact CD1-CG2 3.44Å; L378-I396 VanDerWaalsContact CD1-CG2 3.44Å; L378-I396 HydrophobicContact CG-CG2 4.49Å; H379-I396 WeakPolarHBondContact NE2-CD1 3.33Å; M382-I396 HydrophobicContact CE-CD1 4.49Å; M382-I396 HydrophobicContact SD-CD1 3.48Å; M382-I396 WeakPolarHBondContact SD-CD1 3.29Å; M382-I396 HydrophobicContact SD-CG1 4.16Å; A392-I396 PolarHBondContact O-N 3.38Å; A393-I396 PolarHBondContact O-N 3.45Å; I396-E398 HydrophobicContact CD1-CB 4.39Å; I396-E398 VanDerWaalsContact CD1-CD 3.49Å; I396-E398 HydrophobicContact CD1-CG 4.11Å; I396-E398 VanDerWaalsContact CD1-OE1 3.3Å; I396-E398 WeakPolarHBondContact CD1-OE1 3.44Å; I396-E398 HydrophobicContact CG1-CB 4.04Å; I396-E398 HydrophobicContact CG1-CG 3.92Å
397	G	97.6	Very high	98.4	Very high	71 Å²	71	50.3 Å²	50.3	73%	0.732	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	23	177.3	0	0	0	0	0	114	A393 Q394	A393-G397 PolarHBondContact O-N 2.98Å; A393-G397 VanDerWaalsContact O-N 3.07Å; Q394-G397 PolarHBondContact O-N 3.45Å
398	E	98.3	Very high	98.3	Very high	87 Å²	87	51.8 Å²	51.8	41%	0.407	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-101.6	154.1	177.9	-70.3	177.1	-147.9	0	0	110.8	H379 M382 A393 I396	H379-E398 IonicContact CD2-OE1 3.41Å; H379-E398 IonicContact CD2-OE2 3.51Å; H379-E398 IonicContact CE1-OE1 3.91Å; H379-E398 IonicContact NE2-OE1 3.66Å; H379-E398 PolarHBondContact NE2-OE1 3.15Å; H379-E398 IonicContact NE2-OE2 3.63Å; H379-E398 PolarHBondContact NE2-OE2 3.06Å; M382-E398 HydrophobicContact CE-CB 3.73Å; M382-E398 WeakPolarHBondContact CE-OE2 3.43Å; A393-E398 CarbonylContact C-O 3.26Å; A393-E398 PolarHBondContact O-N 2.83Å; I396-E398 HydrophobicContact CD1-CB 4.39Å; I396-E398 VanDerWaalsContact CD1-CD 3.49Å; I396-E398 HydrophobicContact CD1-CG 4.11Å; I396-E398 VanDerWaalsContact CD1-OE1 3.3Å; I396-E398 WeakPolarHBondContact CD1-OE1 3.44Å; I396-E398 HydrophobicContact CG1-CB 4.04Å; I396-E398 HydrophobicContact CG1-CG 3.92Å
399	E	97.6	Very high	98.2	Very high	116 Å²	116	60.1 Å²	60.1	54%	0.542	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-77.8	132.4	173.6	-178.6	151.3	-134.6	0	0	110.1	K641	E399-K641 IonicContact OE1-NZ 3.14Å; E399-K641 PolarHBondContact OE1-NZ 3.22Å; E399-K641 IonicContact OE2-NZ 2.8Å; E399-K641 PolarHBondContact OE2-NZ 2.68Å
400	Y	98.2	Very high	98.1	Very high	21 Å²	21	65 Å²	65	8%	0.082	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-78.1	125.4	176.6	177.1	-103.5	0	0	0	110.5	Q384 R385 P389 M390 A393 L402	Q384-Y400 PolarHBondContact O-OH 3.41Å; R385-Y400 WeakPolarHBondContact CA-OH 3.23Å; P389-Y400 HydrophobicContact CB-CE2 3.67Å; M390-Y400 HydrophobicContact CE-CD1 4.13Å; M390-Y400 HydrophobicContact CE-CE1 3.7Å; M390-Y400 HydrophobicContact CG-CD1 3.72Å; M390-Y400 HydrophobicContact CG-CD2 4.21Å; M390-Y400 HydrophobicContact CG-CE1 3.76Å; M390-Y400 HydrophobicContact CG-CE2 4.27Å; M390-Y400 HydrophobicContact CG-CG 3.94Å; A393-Y400 HydrophobicContact CB-CD2 4.3Å; A393-Y400 HydrophobicContact CB-CG 4.46Å; Y400-L402 HydrophobicContact CD1-CD2 4.16Å; Y400-L402 HydrophobicContact CD1-CG 4.25Å; Y400-L402 HydrophobicContact CE1-CD2 3.6Å; Y400-L402 HydrophobicContact CE1-CG 4.1Å
401	E	97.9	Very high	98	Very high	170 Å²	170	65.5 Å²	65.5	79%	0.794	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-87	118.4	179.3	-63.2	-172.7	145	0	0	111.3	K403	E401-K403 PolarHBondContact O-N 3.45Å
402	L	97.9	Very high	97.9	Very high	29 Å²	29	69.8 Å²	69.8	15%	0.152	35%	0.354	C	S	.	.			trans	-80.2	113.2	175.7	-75.4	167.4	0	0	0	111	M390 Y400 I404 L481 Y633 Y636 P642	M390-L402 HydrophobicContact CE-CD2 4.3Å; Y400-L402 HydrophobicContact CD1-CD2 4.16Å; Y400-L402 HydrophobicContact CD1-CG 4.25Å; Y400-L402 HydrophobicContact CE1-CD2 3.6Å; Y400-L402 HydrophobicContact CE1-CG 4.1Å; L402-I404 HydrophobicContact CB-CD1 4.36Å; L402-I404 HydrophobicContact CB-CG1 4.24Å; L402-I404 PolarHBondContact O-N 3.04Å; L402-L481 HydrophobicContact CB-CD1 4.42Å; L402-L481 HydrophobicContact CD2-CD1 3.69Å; L402-Y633 HydrophobicContact CD1-CD1 4.49Å; L402-Y633 HydrophobicContact CD2-CD1 3.48Å; L402-Y633 VanDerWaalsContact CD2-CD1 3.48Å; L402-Y633 HydrophobicContact CD2-CE1 3.34Å; L402-Y636 HydrophobicContact CD1-CD1 3.9Å; L402-Y636 HydrophobicContact CD1-CD2 3.44Å; L402-Y636 VanDerWaalsContact CD1-CD2 3.44Å; L402-Y636 HydrophobicContact CD1-CE1 4.5Å; L402-Y636 HydrophobicContact CD1-CE2 4.05Å; L402-Y636 HydrophobicContact CD1-CG 3.32Å; L402-P642 HydrophobicContact CD1-CB 4.37Å; L402-P642 HydrophobicContact CD1-CG 4.23Å
403	K	98.3	Very high	97.8	Very high	115 Å²	115	71 Å²	71	50%	0.5	36%	0.362	S	S	.	.			trans	-72.3	113.5	165.8	-179	174.9	167.9	52	0	110	E401 D405 D479	E401-K403 PolarHBondContact O-N 3.45Å; K403-D405 WeakPolarHBondContact CE-OD1 3.49Å; K403-D405 IonicContact NZ-OD1 3.5Å; K403-D405 PolarHBondContact NZ-OD1 3.46Å; K403-D405 IonicContact NZ-OD2 2.74Å; K403-D479 HydrophobicContact CD-CB 4.34Å; K403-D479 HydrophobicContact CG-CB 4.18Å
404	I	98.4	Very high	97.7	Very high	42 Å²	42	75.1 Å²	75.1	22%	0.215	40%	0.396	C	S	.	.			trans	-121.7	100.3	178	-54.3	-179.5	0	0	0	109.2	L402 D479 L481 Y636 F637	L402-I404 HydrophobicContact CB-CD1 4.36Å; L402-I404 HydrophobicContact CB-CG1 4.24Å; L402-I404 PolarHBondContact O-N 3.04Å; I404-D479 CarbonylContact C-O 3.58Å; I404-D479 WeakPolarHBondContact CA-O 3.34Å; I404-L481 HydrophobicContact CG1-CB 4.22Å; I404-L481 HydrophobicContact CG1-CD1 4.02Å; I404-L481 HydrophobicContact CG1-CG 4.28Å; I404-Y636 HydrophobicContact CD1-CD1 4Å; I404-Y636 HydrophobicContact CD1-CE1 3.19Å; I404-F637 HydrophobicContact CD1-CE1 4.17Å; I404-F637 HydrophobicContact CD1-CZ 4.11Å
405	D	98.6	Very high	97.6	Very high	58 Å²	58	75 Å²	75	31%	0.31	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-77.9	132.8	170.8	-70.4	-6.6	0	0	0	109	K403 D479 H480	K403-D405 WeakPolarHBondContact CE-OD1 3.49Å; K403-D405 IonicContact NZ-OD1 3.5Å; K403-D405 PolarHBondContact NZ-OD1 3.46Å; K403-D405 IonicContact NZ-OD2 2.74Å; D405-D479 HydrophobicContact CB-CB 4.25Å; D405-D479 PolarHBondContact N-O 2.91Å; D405-H480 VanDerWaalsContact CB-CE1 3.5Å; D405-H480 WeakPolarHBondContact CB-CE1 3.27Å; D405-H480 WeakPolarHBondContact CB-ND1 3.25Å; D405-H480 WeakPolarHBondContact O-CA 3.43Å
406	K	98.4	Very high	97.6	Very high	166 Å²	166	71.7 Å²	71.7	72%	0.722	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-93	139.7	-179.3	-63.1	-176.4	-179.4	-178.6	0	110.5
407	A	97.5	Very high	97.5	Very high	11 Å²	11	77.1 Å²	77.1	9%	0.091	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-62.1	160.5	167.8	0	0	0	0	0	111.4	A453 R457	A407-A453 HydrophobicContact CB-CB 4.4Å; A407-R457 HydrophobicContact CB-CB 3.64Å; A407-R457 HydrophobicContact CB-CG 4.12Å
408	P	97.9	Very high	97.4	Very high	44 Å²	44	74.8 Å²	74.8	29%	0.286	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-54.3	141.5	172.8	-27.7	37.5	0	0	0	112.5	N410 T450 Q454	P408-N410 VanDerWaalsContact C-N 3.28Å; P408-N410 PolarHBondContact O-N 3.21Å; P408-T450 HydrophobicContact CG-CG2 3.91Å; P408-Q454 HydrophobicContact CB-CG 3.97Å; P408-Q454 HydrophobicContact CG-CG 3.8Å
409	Q	96	Very high	97.4	Very high	180 Å²	180	75.3 Å²	75.3	84%	0.841	40%	0.397	S	S	*	.	S	Bend	trans	-60.8	-39.1	178.6	-69.8	-64.6	-37.3	0	0	112.1
410	N	97.1	Very high	97.4	Very high	101 Å²	101	70.8 Å²	70.8	54%	0.54	38%	0.375	S	S	.	.			trans	-92.3	114.9	173.2	-167.7	-29.3	0	0	0	109.5	P408 D412 Q454	P408-N410 VanDerWaalsContact C-N 3.28Å; P408-N410 PolarHBondContact O-N 3.21Å; N410-D412 WeakPolarHBondContact OD1-CB 3.36Å; N410-D412 PolarHBondContact OD1-N 3.11Å; N410-D412 PolarHBondContact OD1-O 3.5Å; N410-Q454 PolarHBondContact O-NE2 3.45Å
411	V	97.4	Very high	97.5	Very high	16 Å²	16	70 Å²	70	10%	0.097	37%	0.372	C	S	.	.			trans	-97	-10.8	178.2	-61.2	0	0	0	0	113	T416 R457 Y458	V411-T416 WeakPolarHBondContact O-CG2 3.39Å; V411-R457 HydrophobicContact CG1-CB 3.65Å; V411-R457 HydrophobicContact CG1-CG 3.52Å; V411-Y458 HydrophobicContact CG2-CD2 4.17Å
412	D	96.6	Very high	97.5	Very high	90 Å²	90	63.6 Å²	63.6	48%	0.481	35%	0.349	S	S	.	.			trans	-78.3	125.6	-179	-67.1	-41.5	0	0	0	110.3	N410	N410-D412 WeakPolarHBondContact OD1-CB 3.36Å; N410-D412 PolarHBondContact OD1-N 3.11Å; N410-D412 PolarHBondContact OD1-O 3.5Å
413	S	95.6	Very high	97.5	Very high	24 Å²	24	63 Å²	63	17%	0.168	35%	0.345	C	S	.	.			trans	-144.8	171.5	178.5	63.2	0	0	0	0	109	L415 T416 Q417	S413-L415 PolarHBondContact O-N 3.13Å; S413-L415 PolarHBondContact OG-N 2.86Å; S413-T416 PolarHBondContact N-OG1 3.35Å; S413-T416 VanDerWaalsContact N-OG1 3.09Å; S413-T416 PolarHBondContact O-N 2.89Å; S413-T416 PolarHBondContact O-OG1 3.29Å; S413-T416 VanDerWaalsContact O-OG1 3.06Å; S413-Q417 PolarHBondContact O-N 3.32Å
414	A	96.9	Very high	97.6	Very high	88 Å²	88	57.6 Å²	57.6	73%	0.727	32%	0.321	S	S	*	.	H	α-helix	trans	-54.9	-28.3	173.2	0	0	0	0	0	112.4	G418	A414-G418 PolarHBondContact O-N 2.9Å
415	L	97	Very high	97.6	Very high	35 Å²	35	61.5 Å²	61.5	18%	0.183	33%	0.333	C	S	.	.	H	α-helix	trans	-69.9	-34.4	177.8	-59.4	176.3	0	0	0	112.9	S413 Q417 M421 L443 K447 E451 L455	S413-L415 PolarHBondContact O-N 3.13Å; S413-L415 PolarHBondContact OG-N 2.86Å; L415-Q417 VanDerWaalsContact C-N 3.29Å; L415-M421 WeakPolarHBondContact O-CB 3.45Å; L415-L443 HydrophobicContact CB-CD1 4.4Å; L415-L443 HydrophobicContact CD2-CD1 4.37Å; L415-K447 HydrophobicContact CD1-CD 3.83Å; L415-K447 HydrophobicContact CD1-CG 4.16Å; L415-K447 HydrophobicContact CD2-CD 4.44Å; L415-E451 HydrophobicContact CD1-CB 4.12Å; L415-E451 HydrophobicContact CD1-CG 4.25Å; L415-L455 HydrophobicContact CB-CD2 4.35Å; L415-L455 HydrophobicContact CD1-CD1 4.16Å
416	T	97.6	Very high	97.6	Very high	8 Å²	8	58.8 Å²	58.8	5%	0.049	32%	0.319	C	S	.	.	H	α-helix	trans	-82.6	-8.4	-178.9	64.5	0	0	0	0	113.4	V411 S413 M421 L455 Y458	V411-T416 WeakPolarHBondContact O-CG2 3.39Å; S413-T416 PolarHBondContact N-OG1 3.35Å; S413-T416 VanDerWaalsContact N-OG1 3.09Å; S413-T416 PolarHBondContact O-N 2.89Å; S413-T416 PolarHBondContact O-OG1 3.29Å; S413-T416 VanDerWaalsContact O-OG1 3.06Å; T416-M421 HydrophobicContact CG2-CE 3.93Å; T416-M421 VanDerWaalsContact O-CG 3.3Å; T416-M421 WeakPolarHBondContact O-CG 3.31Å; T416-L455 HydrophobicContact CG2-CD2 4.11Å; T416-Y458 HydrophobicContact CG2-CD1 4.42Å; T416-Y458 HydrophobicContact CG2-CD2 3.67Å; T416-Y458 HydrophobicContact CG2-CE2 4.1Å; T416-Y458 HydrophobicContact CG2-CG 3.85Å
417	Q	96.8	Very high	97.6	Very high	148 Å²	148	51 Å²	51	69%	0.692	29%	0.285	S	S	*	.	H	α-helix	trans	-112.1	-6.8	-178.1	-61.3	173.1	11.1	0	0	112.7	S413 L415	S413-Q417 PolarHBondContact O-N 3.32Å; L415-Q417 VanDerWaalsContact C-N 3.29Å
418	G	96.7	Very high	97.7	Very high	21 Å²	21	51.4 Å²	51.4	22%	0.216	29%	0.285	C	S	.	.	S	Bend	trans	-78.9	170.8	-177.8	0	0	0	0	0	114.8	A414 E420 M421 A422	A414-G418 PolarHBondContact O-N 2.9Å; G418-E420 VanDerWaalsContact C-N 3.31Å; G418-E420 PolarHBondContact O-N 2.94Å; G418-M421 PolarHBondContact O-N 3.44Å; G418-A422 PolarHBondContact O-N 3.04Å
419	P	97.5	Very high	97.7	Very high	99 Å²	99	54.6 Å²	54.6	64%	0.643	29%	0.292	S	S	*	.	H	α-helix	trans	-64.5	-30.8	-177.3	25.8	-35	0	0	0	113.4	A422 R423	P419-A422 PolarHBondContact O-N 3.06Å; P419-R423 WeakPolarHBondContact O-CG 3.38Å; P419-R423 PolarHBondContact O-N 3.39Å
420	E	98.2	Very high	97.8	Very high	20 Å²	20	49.3 Å²	49.3	9%	0.093	27%	0.265	C	S	.	.	H	α-helix	trans	-65.7	-39.1	176	-174.7	165.2	-141.2	0	0	111.8	G418 R423 V424 N442 L443	G418-E420 VanDerWaalsContact C-N 3.31Å; G418-E420 PolarHBondContact O-N 2.94Å; E420-R423 PolarHBondContact O-N 3.09Å; E420-R423 IonicContact OE1-NH2 2.77Å; E420-V424 WeakPolarHBondContact O-CG2 3.48Å; E420-V424 PolarHBondContact O-N 3.25Å; E420-N442 VanDerWaalsContact OE1-CB 3.25Å; E420-N442 WeakPolarHBondContact OE1-CB 3.3Å; E420-L443 HydrophobicContact CB-CD1 4.26Å; E420-L443 HydrophobicContact CG-CB 4.31Å; E420-L443 HydrophobicContact CG-CD1 4.12Å; E420-L443 WeakPolarHBondContact OE2-CD1 3.49Å
421	M	98.6	Very high	97.8	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.02	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-39.2	172.6	-173.9	62.2	80.3	0	0	111.9	L415 T416 G418 R423 V424 R425 W440 L443 L455 Y458 W464	L415-M421 WeakPolarHBondContact O-CB 3.45Å; T416-M421 HydrophobicContact CG2-CE 3.93Å; T416-M421 VanDerWaalsContact O-CG 3.3Å; T416-M421 WeakPolarHBondContact O-CG 3.31Å; G418-M421 PolarHBondContact O-N 3.44Å; M421-R423 VanDerWaalsContact C-N 3.29Å; M421-R423 PolarHBondContact O-N 2.86Å; M421-V424 PolarHBondContact O-N 2.95Å; M421-V424 HydrophobicContact SD-CB 4.41Å; M421-R425 PolarHBondContact O-N 3.01Å; M421-W440 HydrophobicContact CE-CH2 3.92Å; M421-W440 HydrophobicContact CE-CZ3 3.59Å; M421-W440 HydrophobicContact SD-CZ3 3.77Å; M421-L443 HydrophobicContact CE-CD2 3.72Å; M421-L443 HydrophobicContact SD-CD2 4.34Å; M421-L455 HydrophobicContact CE-CD2 3.69Å; M421-Y458 HydrophobicContact CE-CD1 3.71Å; M421-Y458 HydrophobicContact CE-CE1 3.74Å; M421-Y458 HydrophobicContact CE-CG 4.45Å; M421-Y458 HydrophobicContact CG-CE1 4.14Å; M421-Y458 HydrophobicContact SD-CD1 4.07Å; M421-Y458 HydrophobicContact SD-CE1 3.59Å; M421-Y458 VanDerWaalsContact SD-CE1 3.59Å; M421-W464 HydrophobicContact SD-CH2 4.45Å; M421-W464 HydrophobicContact SD-CZ3 3.92Å
422	A	98.4	Very high	97.9	Very high	37 Å²	37	51 Å²	51	31%	0.306	27%	0.273	S	S	.	.	H	α-helix	trans	-60.4	-39.5	174.9	0	0	0	0	0	111.8	P72 G418 P419 R425 E426	P72-A422 HydrophobicContact CB-CB 4.11Å; P72-A422 HydrophobicContact CG-CB 3.98Å; G418-A422 PolarHBondContact O-N 3.04Å; P419-A422 PolarHBondContact O-N 3.06Å; A422-R425 PolarHBondContact O-N 2.89Å; A422-E426 WeakPolarHBondContact O-CG 3.38Å; A422-E426 PolarHBondContact O-N 2.82Å
423	R	98.8	Very high	98	Very high	17 Å²	17	47 Å²	47	6%	0.064	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-46.6	172.6	-66.6	-165.8	-53.1	-82.1	-4	112	P72 L73 T103 P419 E420 M421 R425 E426 L427 E439	P72-R423 HydrophobicContact CB-CG 4.2Å; P72-R423 WeakPolarHBondContact O-CD 3.3Å; P72-R423 VanDerWaalsContact O-CG 3.25Å; P72-R423 WeakPolarHBondContact O-CG 3.44Å; L73-R423 HydrophobicContact CD2-CB 4.1Å; L73-R423 HydrophobicContact CD2-CG 4.3Å; T103-R423 PolarHBondContact OG1-NH2 3.24Å; P419-R423 WeakPolarHBondContact O-CG 3.38Å; P419-R423 PolarHBondContact O-N 3.39Å; E420-R423 PolarHBondContact O-N 3.09Å; E420-R423 IonicContact OE1-NH2 2.77Å; M421-R423 VanDerWaalsContact C-N 3.29Å; M421-R423 PolarHBondContact O-N 2.86Å; R423-R425 VanDerWaalsContact C-N 3.3Å; R423-R425 PolarHBondContact O-N 3Å; R423-E426 PolarHBondContact O-N 3.47Å; R423-L427 VanDerWaalsContact O-CG 3.26Å; R423-L427 WeakPolarHBondContact O-CG 3.46Å; R423-L427 PolarHBondContact O-N 3.2Å; R423-E439 IonicContact CZ-OE1 2.84Å; R423-E439 IonicContact CZ-OE2 3.69Å; R423-E439 VanDerWaalsContact NE-CD 3.34Å; R423-E439 IonicContact NE-OE1 3.55Å; R423-E439 PolarHBondContact NE-OE1 3Å; R423-E439 IonicContact NE-OE2 3.32Å; R423-E439 PolarHBondContact NE-OE2 2.97Å; R423-E439 IonicContact NH2-OE1 2.67Å; R423-E439 IonicContact NH2-OE2 3.82Å; R423-E439 PolarHBondContact NH2-OE2 3.36Å
424	V	98.8	Very high	98.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.5	-46.4	176.9	171.7	0	0	0	0	110.8	E420 M421 E426 L427 M428 E439 W440 W464 L467	E420-V424 WeakPolarHBondContact O-CG2 3.48Å; E420-V424 PolarHBondContact O-N 3.25Å; M421-V424 PolarHBondContact O-N 2.95Å; M421-V424 HydrophobicContact SD-CB 4.41Å; V424-E426 VanDerWaalsContact C-N 3.33Å; V424-E426 PolarHBondContact O-N 3.48Å; V424-L427 PolarHBondContact O-N 2.99Å; V424-M428 HydrophobicContact CG1-CG 4.28Å; V424-M428 WeakPolarHBondContact O-CG 3.44Å; V424-M428 PolarHBondContact O-N 2.98Å; V424-E439 HydrophobicContact CG2-CB 3.66Å; V424-W440 HydrophobicContact CB-CE3 4.48Å; V424-W440 HydrophobicContact CG1-CE3 3.84Å; V424-W440 HydrophobicContact CG1-CZ3 4.13Å; V424-W440 HydrophobicContact CG2-CE3 4.07Å; V424-W464 HydrophobicContact CG1-CE3 4.11Å; V424-W464 HydrophobicContact CG1-CH2 4.36Å; V424-W464 HydrophobicContact CG1-CZ3 3.79Å; V424-L467 HydrophobicContact CG1-CD1 3.53Å
425	R	98.8	Very high	98.2	Very high	125 Å²	125	47.5 Å²	47.5	47%	0.472	24%	0.242	S	C	.	.	H	α-helix	trans	-54.8	-48.4	177.5	-178.7	-176.7	-178.5	-171.2	-1.3	112.1	M421 A422 R423 M428 Y429 W464	M421-R425 PolarHBondContact O-N 3.01Å; A422-R425 PolarHBondContact O-N 2.89Å; R423-R425 VanDerWaalsContact C-N 3.3Å; R423-R425 PolarHBondContact O-N 3Å; R425-M428 PolarHBondContact O-N 3.33Å; R425-Y429 WeakPolarHBondContact O-CB 3.5Å; R425-Y429 PolarHBondContact O-N 3.43Å; R425-W464 HydrophobicContact CB-CH2 3.89Å; R425-W464 HydrophobicContact CB-CZ2 4.13Å; R425-W464 HydrophobicContact CG-CH2 4.31Å; R425-W464 HydrophobicContact CG-CZ2 4.16Å
426	E	98.7	Very high	98.3	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-70.4	-36.6	-179.5	-64.9	-52.3	107.3	0	0	112.3	R43 Y71 P72 L73 A422 R423 V424 Y429 W430	R43-E426 VanDerWaalsContact CG-OE2 3.32Å; R43-E426 WeakPolarHBondContact CG-OE2 3.49Å; R43-E426 IonicContact CZ-OE1 3.27Å; R43-E426 IonicContact CZ-OE2 2.68Å; R43-E426 IonicContact NE-OE1 2.83Å; R43-E426 PolarHBondContact NE-OE1 3.12Å; R43-E426 IonicContact NE-OE2 3.13Å; R43-E426 PolarHBondContact NE-OE2 2.91Å; R43-E426 IonicContact NH2-OE1 3.22Å; R43-E426 PolarHBondContact NH2-OE1 3.11Å; R43-E426 IonicContact NH2-OE2 3.37Å; Y71-E426 HydrophobicContact CE2-CG 3.99Å; Y71-E426 VanDerWaalsContact CE2-OE2 3.23Å; Y71-E426 WeakPolarHBondContact CE2-OE2 3.34Å; Y71-E426 PolarHBondContact OH-OE2 2.69Å; P72-E426 HydrophobicContact CB-CG 4.03Å; P72-E426 HydrophobicContact CG-CG 3.96Å; L73-E426 HydrophobicContact CD1-CB 3.73Å; L73-E426 HydrophobicContact CD2-CB 3.97Å; L73-E426 HydrophobicContact CG-CB 3.68Å; A422-E426 WeakPolarHBondContact O-CG 3.38Å; A422-E426 PolarHBondContact O-N 2.82Å; R423-E426 PolarHBondContact O-N 3.47Å; V424-E426 VanDerWaalsContact C-N 3.33Å; V424-E426 PolarHBondContact O-N 3.48Å; E426-Y429 WeakPolarHBondContact O-CB 3.4Å; E426-Y429 PolarHBondContact O-N 2.79Å; E426-W430 PolarHBondContact O-N 2.92Å; E426-W430 VanDerWaalsContact O-N 3.11Å
427	L	98.8	Very high	98.3	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-64	-41	175.1	-68.2	168	0	0	0	112	L73 Y76 R423 V424 W430 N431 L432 T435 A436 E439	L73-L427 HydrophobicContact CD1-CD2 4.12Å; L73-L427 HydrophobicContact CD2-CD2 4.01Å; L73-L427 HydrophobicContact CD2-CG 3.86Å; Y76-L427 HydrophobicContact CE2-CD1 4.43Å; R423-L427 VanDerWaalsContact O-CG 3.26Å; R423-L427 WeakPolarHBondContact O-CG 3.46Å; R423-L427 PolarHBondContact O-N 3.2Å; V424-L427 PolarHBondContact O-N 2.99Å; L427-W430 PolarHBondContact O-N 3.21Å; L427-N431 PolarHBondContact O-N 2.85Å; L427-L432 HydrophobicContact CB-CB 4.48Å; L427-L432 HydrophobicContact CD2-CB 4.2Å; L427-L432 HydrophobicContact CD2-CD1 3.97Å; L427-L432 PolarHBondContact O-N 2.83Å; L427-T435 HydrophobicContact CD1-CG2 3.92Å; L427-T435 HydrophobicContact CD2-CG2 3.62Å; L427-T435 HydrophobicContact CG-CG2 4.41Å; L427-A436 HydrophobicContact CB-CB 3.78Å; L427-A436 HydrophobicContact CD1-CB 4.4Å; L427-E439 HydrophobicContact CD1-CB 4.46Å; L427-E439 HydrophobicContact CD1-CG 3.68Å
428	M	98.7	Very high	98.4	Very high	20 Å²	20	46 Å²	46	10%	0.099	24%	0.235	C	C	.	.	H	α-helix	trans	-67.9	-38	175.1	-66.2	-53.8	-66.7	0	0	111.7	V424 R425 W430 N431 A436 W464 L467	V424-M428 HydrophobicContact CG1-CG 4.28Å; V424-M428 WeakPolarHBondContact O-CG 3.44Å; V424-M428 PolarHBondContact O-N 2.98Å; R425-M428 PolarHBondContact O-N 3.33Å; M428-W430 VanDerWaalsContact C-N 3.26Å; M428-W430 PolarHBondContact O-N 2.85Å; M428-N431 PolarHBondContact O-N 3.27Å; M428-A436 HydrophobicContact CG-CB 4.14Å; M428-A436 HydrophobicContact SD-CB 3.46Å; M428-A436 WeakPolarHBondContact SD-CB 3.39Å; M428-W464 HydrophobicContact CB-CD2 4.26Å; M428-W464 HydrophobicContact CB-CG 4.33Å; M428-W464 HydrophobicContact CB-CZ2 4.29Å; M428-W464 HydrophobicContact CE-CB 4Å; M428-W464 HydrophobicContact CE-CG 3.97Å; M428-W464 HydrophobicContact CG-CD2 3.83Å; M428-W464 HydrophobicContact CG-CE3 4.41Å; M428-W464 HydrophobicContact CG-CG 3.91Å; M428-W464 HydrophobicContact CG-CZ2 4.48Å; M428-L467 HydrophobicContact CG-CD1 3.93Å; M428-L467 HydrophobicContact SD-CD1 3.83Å; M428-L467 HydrophobicContact SD-CG 4.19Å
429	Y	98.4	Very high	98.5	Very high	110 Å²	110	45 Å²	45	43%	0.431	23%	0.225	S	C	.	.	H	α-helix	trans	-57	-40	173.5	178.6	-97.1	0	0	0	112.2	R43 R425 E426 N431	R43-Y429 HydrophobicContact CB-CE1 4.36Å; R43-Y429 HydrophobicContact CG-CD1 4.32Å; R43-Y429 HydrophobicContact CG-CE1 4.08Å; R425-Y429 WeakPolarHBondContact O-CB 3.5Å; R425-Y429 PolarHBondContact O-N 3.43Å; E426-Y429 WeakPolarHBondContact O-CB 3.4Å; E426-Y429 PolarHBondContact O-N 2.79Å; Y429-N431 VanDerWaalsContact C-N 3.3Å; Y429-N431 PolarHBondContact O-N 3.5Å
430	W	98.3	Very high	98.5	Very high	70 Å²	70	40.3 Å²	40.3	27%	0.265	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	6.4	177.9	-67	117.7	0	0	0	114.8	R43 Y46 A47 Y71 E426 L427 M428 L432	R43-W430 HydrophobicContact CB-CH2 4.44Å; R43-W430 HydrophobicContact CB-CZ2 3.83Å; R43-W430 HydrophobicContact CG-CZ2 4.19Å; R43-W430 VanDerWaalsContact O-CZ2 3.26Å; R43-W430 WeakPolarHBondContact O-CZ2 3.28Å; Y46-W430 AromaticContact CD1-CE2 3.96Å; Y46-W430 HydrophobicContact CD1-CZ2 4.26Å; Y46-W430 AromaticContact CD1-NE1 3.57Å; Y46-W430 AromaticContact CE1-NE1 3.95Å; A47-W430 HydrophobicContact CB-CH2 3.73Å; A47-W430 HydrophobicContact CB-CZ2 4.36Å; A47-W430 HydrophobicContact CB-CZ3 4.22Å; Y71-W430 PolarHBondContact OH-NE1 3.21Å; E426-W430 PolarHBondContact O-N 2.92Å; E426-W430 VanDerWaalsContact O-N 3.11Å; L427-W430 PolarHBondContact O-N 3.21Å; M428-W430 VanDerWaalsContact C-N 3.26Å; M428-W430 PolarHBondContact O-N 2.85Å; W430-L432 VanDerWaalsContact C-N 3.26Å; W430-L432 HydrophobicContact CB-CD1 3.88Å; W430-L432 HydrophobicContact CB-CG 3.85Å; W430-L432 PolarHBondContact O-N 3.08Å
431	N	98.3	Very high	98.5	Very high	99 Å²	99	41.2 Å²	41.2	53%	0.529	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	41.3	-174.4	-56.5	-77.5	0	0	0	113	L427 M428 Y429 K520	L427-N431 PolarHBondContact O-N 2.85Å; M428-N431 PolarHBondContact O-N 3.27Å; Y429-N431 VanDerWaalsContact C-N 3.3Å; Y429-N431 PolarHBondContact O-N 3.5Å; N431-K520 WeakPolarHBondContact O-CE 3.22Å
432	L	98.4	Very high	98.5	Very high	54 Å²	54	42.2 Å²	42.2	28%	0.283	21%	0.21	S	C	.	.			trans	-99.2	50.7	177.4	-61.9	176.1	0	0	0	111	L427 W430 N434 T435 A436	L427-L432 HydrophobicContact CB-CB 4.48Å; L427-L432 HydrophobicContact CD2-CB 4.2Å; L427-L432 HydrophobicContact CD2-CD1 3.97Å; L427-L432 PolarHBondContact O-N 2.83Å; W430-L432 VanDerWaalsContact C-N 3.26Å; W430-L432 HydrophobicContact CB-CD1 3.88Å; W430-L432 HydrophobicContact CB-CG 3.85Å; W430-L432 PolarHBondContact O-N 3.08Å; L432-N434 VanDerWaalsContact C-N 3.32Å; L432-N434 PolarHBondContact O-N 3.42Å; L432-T435 WeakPolarHBondContact O-CA 3.47Å; L432-T435 WeakPolarHBondContact O-CB 3.28Å; L432-T435 PolarHBondContact O-N 3.45Å; L432-A436 PolarHBondContact O-N 3.39Å
433	D	98.6	Very high	98.4	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.027	20%	0.197	C	C	.	.	H	α-helix	trans	-54.7	-39.8	-168.8	-53.4	-118.5	0	0	0	113.4	T435 A436 R437 P519 K520	D433-T435 VanDerWaalsContact C-N 3.31Å; D433-T435 PolarHBondContact O-N 2.93Å; D433-A436 PolarHBondContact O-N 3.03Å; D433-R437 VanDerWaalsContact O-CB 3.22Å; D433-R437 WeakPolarHBondContact O-CB 3.45Å; D433-R437 PolarHBondContact O-N 3.14Å; D433-P519 VanDerWaalsContact OD1-CD 3.31Å; D433-P519 WeakPolarHBondContact OD1-CD 3.49Å; D433-K520 HydrophobicContact CB-CB 4.29Å; D433-K520 HydrophobicContact CB-CG 3.87Å; D433-K520 VanDerWaalsContact OD2-CG 3.27Å; D433-K520 WeakPolarHBondContact OD2-CG 3.26Å
434	N	98.2	Very high	98.4	Very high	75 Å²	75	40 Å²	40	40%	0.401	19%	0.194	S	C	.	.	H	α-helix	trans	-65.2	-34.8	176.8	-69.4	-30.7	0	0	0	112.9	L432 S438 N518 K520	L432-N434 VanDerWaalsContact C-N 3.32Å; L432-N434 PolarHBondContact O-N 3.42Å; N434-S438 PolarHBondContact O-OG 3.16Å; N434-N518 PolarHBondContact OD1-ND2 3.49Å; N434-K520 PolarHBondContact ND2-O 2.95Å
435	T	98.4	Very high	98.3	Very high	48 Å²	48	44.6 Å²	44.6	29%	0.294	22%	0.215	S	C	.	.	H	α-helix	trans	-74.2	-44.9	175.8	-51.7	0	0	0	0	109.9	Y76 L427 L432 D433 R437 S438 E439	Y76-T435 HydrophobicContact CE1-CG2 3.52Å; Y76-T435 WeakPolarHBondContact OH-CG2 3.45Å; L427-T435 HydrophobicContact CD1-CG2 3.92Å; L427-T435 HydrophobicContact CD2-CG2 3.62Å; L427-T435 HydrophobicContact CG-CG2 4.41Å; L432-T435 WeakPolarHBondContact O-CA 3.47Å; L432-T435 WeakPolarHBondContact O-CB 3.28Å; L432-T435 PolarHBondContact O-N 3.45Å; D433-T435 VanDerWaalsContact C-N 3.31Å; D433-T435 PolarHBondContact O-N 2.93Å; T435-R437 VanDerWaalsContact C-N 3.32Å; T435-R437 PolarHBondContact O-N 3.28Å; T435-S438 WeakPolarHBondContact O-CB 3.22Å; T435-S438 PolarHBondContact O-N 3.04Å; T435-S438 VanDerWaalsContact O-N 3.09Å; T435-E439 PolarHBondContact O-N 2.87Å
436	A	98.7	Very high	98.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.4	-42.5	175.6	0	0	0	0	0	111.8	L427 M428 L432 D433 S438 E439 W440	L427-A436 HydrophobicContact CB-CB 3.78Å; L427-A436 HydrophobicContact CD1-CB 4.4Å; M428-A436 HydrophobicContact CG-CB 4.14Å; M428-A436 HydrophobicContact SD-CB 3.46Å; M428-A436 WeakPolarHBondContact SD-CB 3.39Å; L432-A436 PolarHBondContact O-N 3.39Å; D433-A436 PolarHBondContact O-N 3.03Å; A436-S438 PolarHBondContact O-N 3.25Å; A436-E439 PolarHBondContact O-N 3.4Å; A436-W440 VanDerWaalsContact O-CB 3.32Å; A436-W440 WeakPolarHBondContact O-CB 3.38Å; A436-W440 PolarHBondContact O-N 2.76Å
437	R	98.5	Very high	98.1	Very high	105 Å²	105	47 Å²	47	40%	0.396	24%	0.243	S	C	.	.	H	α-helix	trans	-53.6	-36.1	174.6	170.3	167.4	-166.4	89.2	-5.7	113.1	D433 T435 A441 Q470	D433-R437 VanDerWaalsContact O-CB 3.22Å; D433-R437 WeakPolarHBondContact O-CB 3.45Å; D433-R437 PolarHBondContact O-N 3.14Å; T435-R437 VanDerWaalsContact C-N 3.32Å; T435-R437 PolarHBondContact O-N 3.28Å; R437-A441 VanDerWaalsContact O-CB 3.26Å; R437-A441 WeakPolarHBondContact O-CB 3.31Å; R437-A441 PolarHBondContact O-N 3.36Å; R437-Q470 PolarHBondContact O-NE2 3.05Å
438	S	98.1	Very high	98	Very high	55 Å²	55	49.5 Å²	49.5	39%	0.385	26%	0.261	S	S	.	.	H	α-helix	trans	-74.7	-41.2	-179.3	-60.3	0	0	0	0	112.2	N434 T435 A436 N442	N434-S438 PolarHBondContact O-OG 3.16Å; T435-S438 WeakPolarHBondContact O-CB 3.22Å; T435-S438 PolarHBondContact O-N 3.04Å; T435-S438 VanDerWaalsContact O-N 3.09Å; A436-S438 PolarHBondContact O-N 3.25Å; S438-N442 PolarHBondContact O-N 3.49Å
439	E	98.7	Very high	98	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-48.4	170.7	-68.2	-80.3	-165.8	0	0	110	Y76 L104 P105 R423 V424 L427 T435 A436 A441 N442 L443	Y76-E439 WeakPolarHBondContact OH-CG 3.18Å; Y76-E439 PolarHBondContact OH-OE1 3.48Å; L104-E439 WeakPolarHBondContact CD1-OE1 3.47Å; P105-E439 WeakPolarHBondContact CD-OE1 3.34Å; P105-E439 WeakPolarHBondContact CD-OE2 3.43Å; P105-E439 HydrophobicContact CG-CG 4.08Å; R423-E439 IonicContact CZ-OE1 2.84Å; R423-E439 IonicContact CZ-OE2 3.69Å; R423-E439 VanDerWaalsContact NE-CD 3.34Å; R423-E439 IonicContact NE-OE1 3.55Å; R423-E439 PolarHBondContact NE-OE1 3Å; R423-E439 IonicContact NE-OE2 3.32Å; R423-E439 PolarHBondContact NE-OE2 2.97Å; R423-E439 IonicContact NH2-OE1 2.67Å; R423-E439 IonicContact NH2-OE2 3.82Å; R423-E439 PolarHBondContact NH2-OE2 3.36Å; V424-E439 HydrophobicContact CG2-CB 3.66Å; L427-E439 HydrophobicContact CD1-CB 4.46Å; L427-E439 HydrophobicContact CD1-CG 3.68Å; T435-E439 PolarHBondContact O-N 2.87Å; A436-E439 PolarHBondContact O-N 3.4Å; E439-A441 VanDerWaalsContact C-N 3.28Å; E439-A441 PolarHBondContact O-N 2.99Å; E439-N442 WeakPolarHBondContact O-CB 3.42Å; E439-N442 PolarHBondContact O-N 3.01Å; E439-L443 PolarHBondContact O-N 3.31Å
440	W	98.6	Very high	98	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-37.9	179.3	-163.5	-113	0	0	0	112.9	M421 V424 A436 N442 L443 V444 L455 A459 L467 A471	M421-W440 HydrophobicContact CE-CH2 3.92Å; M421-W440 HydrophobicContact CE-CZ3 3.59Å; M421-W440 HydrophobicContact SD-CZ3 3.77Å; V424-W440 HydrophobicContact CB-CE3 4.48Å; V424-W440 HydrophobicContact CG1-CE3 3.84Å; V424-W440 HydrophobicContact CG1-CZ3 4.13Å; V424-W440 HydrophobicContact CG2-CE3 4.07Å; A436-W440 VanDerWaalsContact O-CB 3.32Å; A436-W440 WeakPolarHBondContact O-CB 3.38Å; A436-W440 PolarHBondContact O-N 2.76Å; W440-N442 VanDerWaalsContact C-N 3.26Å; W440-N442 PolarHBondContact O-N 3.38Å; W440-L443 HydrophobicContact CE3-CD2 3.91Å; W440-L443 HydrophobicContact CZ3-CD2 3.8Å; W440-L443 PolarHBondContact O-N 2.97Å; W440-V444 HydrophobicContact CD2-CG1 4.34Å; W440-V444 HydrophobicContact CG-CG1 4.46Å; W440-V444 HydrophobicContact CZ2-CG1 4.33Å; W440-V444 WeakPolarHBondContact O-CG2 3.47Å; W440-V444 PolarHBondContact O-N 3.03Å; W440-L455 HydrophobicContact CH2-CB 4.13Å; W440-L455 HydrophobicContact CH2-CD2 3.98Å; W440-L455 HydrophobicContact CZ2-CB 3.93Å; W440-L455 WeakPolarHBondContact CZ2-O 3.33Å; W440-L455 HydrophobicContact CZ3-CD2 4.47Å; W440-A459 HydrophobicContact CH2-CB 4.04Å; W440-A459 HydrophobicContact CZ2-CB 3.8Å; W440-L467 HydrophobicContact CB-CD1 4.46Å; W440-L467 HydrophobicContact CB-CD2 3.83Å; W440-L467 HydrophobicContact CD2-CB 4.07Å; W440-L467 HydrophobicContact CD2-CD1 4.05Å; W440-L467 HydrophobicContact CD2-CD2 4.45Å; W440-L467 HydrophobicContact CD2-CG 4.42Å; W440-L467 HydrophobicContact CE3-CD1 4.05Å; W440-L467 HydrophobicContact CG-CB 4.16Å; W440-L467 HydrophobicContact CG-CD1 4.23Å; W440-L467 HydrophobicContact CG-CD2 3.83Å; W440-L467 HydrophobicContact CG-CG 4.29Å; W440-L467 HydrophobicContact CZ2-CB 4.32Å; W440-L467 PolarHBondContact NE1-O 2.81Å; W440-A471 HydrophobicContact CZ2-CB 4.36Å
441	A	98.2	Very high	98	Very high	38 Å²	38	53.5 Å²	53.5	31%	0.314	29%	0.29	S	S	.	.	H	α-helix	trans	-61.3	-33.6	175.5	0	0	0	0	0	112.6	R437 E439 K445	R437-A441 VanDerWaalsContact O-CB 3.26Å; R437-A441 WeakPolarHBondContact O-CB 3.31Å; R437-A441 PolarHBondContact O-N 3.36Å; E439-A441 VanDerWaalsContact C-N 3.28Å; E439-A441 PolarHBondContact O-N 2.99Å; A441-K445 WeakPolarHBondContact O-CB 3.21Å; A441-K445 PolarHBondContact O-N 3.32Å
442	N	97.4	Very high	98	Very high	25 Å²	25	49.6 Å²	49.6	13%	0.134	27%	0.269	C	S	.	.	H	α-helix	trans	-75.3	-42.9	173.8	-74.4	-24.5	0	0	0	111.3	T103 E420 S438 E439 W440 V444 K445	T103-N442 PolarHBondContact O-ND2 2.88Å; E420-N442 VanDerWaalsContact OE1-CB 3.25Å; E420-N442 WeakPolarHBondContact OE1-CB 3.3Å; S438-N442 PolarHBondContact O-N 3.49Å; E439-N442 WeakPolarHBondContact O-CB 3.42Å; E439-N442 PolarHBondContact O-N 3.01Å; W440-N442 VanDerWaalsContact C-N 3.26Å; W440-N442 PolarHBondContact O-N 3.38Å; N442-V444 PolarHBondContact O-N 3.47Å; N442-K445 PolarHBondContact O-N 3.15Å; N442-K445 PolarHBondContact OD1-NZ 3.19Å; N442-K445 VanDerWaalsContact OD1-NZ 3.13Å
443	L	98	Very high	98.1	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-45.2	-177.3	-166.9	61.3	0	0	0	112.3	L415 E420 M421 E439 W440 K447 L455	L415-L443 HydrophobicContact CB-CD1 4.4Å; L415-L443 HydrophobicContact CD2-CD1 4.37Å; E420-L443 HydrophobicContact CB-CD1 4.26Å; E420-L443 HydrophobicContact CG-CB 4.31Å; E420-L443 HydrophobicContact CG-CD1 4.12Å; E420-L443 WeakPolarHBondContact OE2-CD1 3.49Å; M421-L443 HydrophobicContact CE-CD2 3.72Å; M421-L443 HydrophobicContact SD-CD2 4.34Å; E439-L443 PolarHBondContact O-N 3.31Å; W440-L443 HydrophobicContact CE3-CD2 3.91Å; W440-L443 HydrophobicContact CZ3-CD2 3.8Å; W440-L443 PolarHBondContact O-N 2.97Å; L443-K447 VanDerWaalsContact O-CE 3.3Å; L443-K447 WeakPolarHBondContact O-CE 3.46Å; L443-K447 VanDerWaalsContact O-CG 3.28Å; L443-K447 WeakPolarHBondContact O-CG 3.39Å; L443-K447 PolarHBondContact O-NZ 3.16Å; L443-L455 HydrophobicContact CD2-CD2 4.06Å; L443-L455 HydrophobicContact CG-CD1 4.33Å; L443-L455 HydrophobicContact CG-CD2 4.35Å
444	V	98	Very high	98.1	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.018	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-15.7	-179.7	-62.5	0	0	0	0	114.6	W440 N442 Q452 L455 A471 A474	W440-V444 HydrophobicContact CD2-CG1 4.34Å; W440-V444 HydrophobicContact CG-CG1 4.46Å; W440-V444 HydrophobicContact CZ2-CG1 4.33Å; W440-V444 WeakPolarHBondContact O-CG2 3.47Å; W440-V444 PolarHBondContact O-N 3.03Å; N442-V444 PolarHBondContact O-N 3.47Å; V444-Q452 PolarHBondContact O-NE2 2.96Å; V444-L455 HydrophobicContact CG1-CB 4.33Å; V444-L455 HydrophobicContact CG1-CD1 3.84Å; V444-A471 HydrophobicContact CG1-CB 4.03Å; V444-A474 HydrophobicContact CB-CB 4.25Å; V444-A474 HydrophobicContact CG2-CB 3.78Å
445	K	96	Very high	98.1	Very high	97 Å²	97	44.7 Å²	44.7	42%	0.422	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	139.6	-175.6	178.3	-178.2	73.1	-157.4	0	111.1	A441 N442 K447	A441-K445 WeakPolarHBondContact O-CB 3.21Å; A441-K445 PolarHBondContact O-N 3.32Å; N442-K445 PolarHBondContact O-N 3.15Å; N442-K445 PolarHBondContact OD1-NZ 3.19Å; N442-K445 VanDerWaalsContact OD1-NZ 3.13Å; K445-K447 PolarHBondContact O-N 2.73Å; K445-K447 PolarHBondContact O-NZ 3.21Å
446	S	95.7	Very high	98.1	Very high	117 Å²	117	42.4 Å²	42.4	82%	0.818	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	34.8	179.2	-53	0	0	0	0	113.6
447	K	97.6	Very high	98.1	Very high	60 Å²	60	45.1 Å²	45.1	26%	0.261	24%	0.239	S	C	.	.			trans	-102.9	160	171.9	-59.9	-56.5	-178.2	-63.5	0	110.2	L415 L443 K445 E451 Q452	L415-K447 HydrophobicContact CD1-CD 3.83Å; L415-K447 HydrophobicContact CD1-CG 4.16Å; L415-K447 HydrophobicContact CD2-CD 4.44Å; L443-K447 VanDerWaalsContact O-CE 3.3Å; L443-K447 WeakPolarHBondContact O-CE 3.46Å; L443-K447 VanDerWaalsContact O-CG 3.28Å; L443-K447 WeakPolarHBondContact O-CG 3.39Å; L443-K447 PolarHBondContact O-NZ 3.16Å; K445-K447 PolarHBondContact O-N 2.73Å; K445-K447 PolarHBondContact O-NZ 3.21Å; K447-E451 HydrophobicContact CB-CB 4.03Å; K447-Q452 HydrophobicContact CB-CG 3.94Å
448	S	98.2	Very high	98.2	Very high	55 Å²	55	41.9 Å²	41.9	39%	0.385	23%	0.227	S	C	.	.			trans	-64.5	158.6	172.2	67.6	0	0	0	0	111.1	T450 E451 Q452	S448-T450 PolarHBondContact O-N 2.81Å; S448-E451 VanDerWaalsContact CB-OE2 3.31Å; S448-E451 WeakPolarHBondContact CB-OE2 3.42Å; S448-E451 PolarHBondContact N-OE2 3.25Å; S448-E451 PolarHBondContact O-N 3.19Å; S448-E451 VanDerWaalsContact OG-CG 3.28Å; S448-E451 WeakPolarHBondContact OG-CG 3.42Å; S448-E451 PolarHBondContact OG-N 2.96Å; S448-E451 PolarHBondContact OG-OE2 3.36Å; S448-Q452 VanDerWaalsContact O-CG 3.32Å; S448-Q452 WeakPolarHBondContact O-CG 3.46Å; S448-Q452 PolarHBondContact O-N 2.92Å
449	K	98.2	Very high	98.2	Very high	136 Å²	136	39.3 Å²	39.3	59%	0.591	21%	0.208	S	C	*	.	H	α-helix	trans	-58.1	-36.4	174.6	-81.4	-167.9	174	-174.7	0	112.4	Q452 A453 G475 L477	K449-Q452 PolarHBondContact O-N 2.92Å; K449-A453 WeakPolarHBondContact O-CB 3.49Å; K449-A453 PolarHBondContact O-N 3.47Å; K449-G475 WeakPolarHBondContact CE-O 3.22Å; K449-L477 HydrophobicContact CB-CD2 4.33Å; K449-L477 HydrophobicContact CD-CD2 4.42Å; K449-L477 HydrophobicContact CG-CD2 4.35Å
450	T	98.4	Very high	98.2	Very high	85 Å²	85	40.8 Å²	40.8	52%	0.521	22%	0.215	S	C	.	.	H	α-helix	trans	-62.5	-49.7	177	-55.1	0	0	0	0	111.1	P408 S448 Q452 A453 Q454	P408-T450 HydrophobicContact CG-CG2 3.91Å; S448-T450 PolarHBondContact O-N 2.81Å; T450-Q452 VanDerWaalsContact C-N 3.33Å; T450-Q452 PolarHBondContact O-N 3.02Å; T450-A453 PolarHBondContact O-N 3.45Å; T450-Q454 WeakPolarHBondContact O-CG 3.47Å; T450-Q454 PolarHBondContact O-N 2.89Å
451	E	98.5	Very high	98.2	Very high	62 Å²	62	44.8 Å²	44.8	29%	0.29	24%	0.237	S	C	.	.	H	α-helix	trans	-63.1	-39.2	177	-70.7	164.4	122.6	0	0	111.7	L415 K447 S448 A453 Q454 L455	L415-E451 HydrophobicContact CD1-CB 4.12Å; L415-E451 HydrophobicContact CD1-CG 4.25Å; K447-E451 HydrophobicContact CB-CB 4.03Å; S448-E451 VanDerWaalsContact CB-OE2 3.31Å; S448-E451 WeakPolarHBondContact CB-OE2 3.42Å; S448-E451 PolarHBondContact N-OE2 3.25Å; S448-E451 PolarHBondContact O-N 3.19Å; S448-E451 VanDerWaalsContact OG-CG 3.28Å; S448-E451 WeakPolarHBondContact OG-CG 3.42Å; S448-E451 PolarHBondContact OG-N 2.96Å; S448-E451 PolarHBondContact OG-OE2 3.36Å; E451-A453 VanDerWaalsContact C-N 3.33Å; E451-A453 PolarHBondContact O-N 3.48Å; E451-Q454 PolarHBondContact O-N 2.89Å; E451-L455 WeakPolarHBondContact O-CB 3.44Å; E451-L455 VanDerWaalsContact O-CG 3.32Å; E451-L455 WeakPolarHBondContact O-CG 3.25Å; E451-L455 PolarHBondContact O-N 3.01Å
452	Q	98.7	Very high	98.2	Very high	17 Å²	17	46.2 Å²	46.2	8%	0.079	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-36.5	176.3	-69.8	168.9	-33.3	0	0	112.2	V444 K447 S448 K449 T450 A456 G475 L477	V444-Q452 PolarHBondContact O-NE2 2.96Å; K447-Q452 HydrophobicContact CB-CG 3.94Å; S448-Q452 VanDerWaalsContact O-CG 3.32Å; S448-Q452 WeakPolarHBondContact O-CG 3.46Å; S448-Q452 PolarHBondContact O-N 2.92Å; K449-Q452 PolarHBondContact O-N 2.92Å; T450-Q452 VanDerWaalsContact C-N 3.33Å; T450-Q452 PolarHBondContact O-N 3.02Å; Q452-A456 WeakPolarHBondContact O-CB 3.33Å; Q452-A456 PolarHBondContact O-N 3.38Å; Q452-G475 VanDerWaalsContact CD-CA 3.49Å; Q452-L477 HydrophobicContact CB-CD1 4.41Å
453	A	98.8	Very high	98.3	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.033	26%	0.262	C	S	.	.	H	α-helix	trans	-69.4	-40.6	174.4	0	0	0	0	0	111.8	A407 K449 T450 E451 A456 R457 L477	A407-A453 HydrophobicContact CB-CB 4.4Å; K449-A453 WeakPolarHBondContact O-CB 3.49Å; K449-A453 PolarHBondContact O-N 3.47Å; T450-A453 PolarHBondContact O-N 3.45Å; E451-A453 VanDerWaalsContact C-N 3.33Å; E451-A453 PolarHBondContact O-N 3.48Å; A453-A456 PolarHBondContact O-N 2.88Å; A453-R457 PolarHBondContact O-N 2.85Å; A453-L477 HydrophobicContact CB-CD1 3.75Å
454	Q	98.7	Very high	98.3	Very high	28 Å²	28	52.5 Å²	52.5	13%	0.131	27%	0.266	C	S	.	.	H	α-helix	trans	-60.5	-45.2	172.4	-71.3	174.1	-55.1	0	0	111.4	P408 N410 T450 E451 R457 Y458	P408-Q454 HydrophobicContact CB-CG 3.97Å; P408-Q454 HydrophobicContact CG-CG 3.8Å; N410-Q454 PolarHBondContact O-NE2 3.45Å; T450-Q454 WeakPolarHBondContact O-CG 3.47Å; T450-Q454 PolarHBondContact O-N 2.89Å; E451-Q454 PolarHBondContact O-N 2.89Å; Q454-R457 PolarHBondContact O-N 3.18Å; Q454-Y458 VanDerWaalsContact O-CB 3.29Å; Q454-Y458 WeakPolarHBondContact O-CB 3.41Å; Q454-Y458 PolarHBondContact O-N 3.32Å
455	L	98.8	Very high	98.4	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.9	-41.2	176.5	-73	170.7	0	0	0	112.1	L415 T416 M421 W440 L443 V444 E451 Y458 A459	L415-L455 HydrophobicContact CB-CD2 4.35Å; L415-L455 HydrophobicContact CD1-CD1 4.16Å; T416-L455 HydrophobicContact CG2-CD2 4.11Å; M421-L455 HydrophobicContact CE-CD2 3.69Å; W440-L455 HydrophobicContact CH2-CB 4.13Å; W440-L455 HydrophobicContact CH2-CD2 3.98Å; W440-L455 HydrophobicContact CZ2-CB 3.93Å; W440-L455 WeakPolarHBondContact CZ2-O 3.33Å; W440-L455 HydrophobicContact CZ3-CD2 4.47Å; L443-L455 HydrophobicContact CD2-CD2 4.06Å; L443-L455 HydrophobicContact CG-CD1 4.33Å; L443-L455 HydrophobicContact CG-CD2 4.35Å; V444-L455 HydrophobicContact CG1-CB 4.33Å; V444-L455 HydrophobicContact CG1-CD1 3.84Å; E451-L455 WeakPolarHBondContact O-CB 3.44Å; E451-L455 VanDerWaalsContact O-CG 3.32Å; E451-L455 WeakPolarHBondContact O-CG 3.25Å; E451-L455 PolarHBondContact O-N 3.01Å; L455-Y458 PolarHBondContact O-N 3.18Å; L455-A459 WeakPolarHBondContact O-CB 3.28Å; L455-A459 PolarHBondContact O-N 3.43Å
456	A	98.9	Very high	98.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.8	-48.6	174.4	0	0	0	0	0	111.1	Q452 A453 A459 F460 S468 A471 T472 E483	Q452-A456 WeakPolarHBondContact O-CB 3.33Å; Q452-A456 PolarHBondContact O-N 3.38Å; A453-A456 PolarHBondContact O-N 2.88Å; A456-A459 PolarHBondContact O-N 3.4Å; A456-F460 WeakPolarHBondContact O-CB 3.4Å; A456-F460 PolarHBondContact O-N 3.33Å; A456-S468 PolarHBondContact O-OG 3.2Å; A456-A471 HydrophobicContact CB-CB 3.66Å; A456-T472 HydrophobicContact CB-CG2 3.94Å; A456-E483 HydrophobicContact CB-CB 4.2Å; A456-E483 HydrophobicContact CB-CG 4.2Å
457	R	98.8	Very high	98.6	Very high	56 Å²	56	44 Å²	44	21%	0.211	21%	0.214	C	C	.	.	H	α-helix	trans	-68	-36.6	178.5	-173	69.8	-162.2	-171.4	-1.5	112.8	A407 V411 A453 Q454 F460 N461 E482 E483	A407-R457 HydrophobicContact CB-CB 3.64Å; A407-R457 HydrophobicContact CB-CG 4.12Å; V411-R457 HydrophobicContact CG1-CB 3.65Å; V411-R457 HydrophobicContact CG1-CG 3.52Å; A453-R457 PolarHBondContact O-N 2.85Å; Q454-R457 PolarHBondContact O-N 3.18Å; R457-F460 WeakPolarHBondContact O-CB 3.33Å; R457-F460 PolarHBondContact O-N 3.36Å; R457-N461 PolarHBondContact NE-OD1 3.13Å; R457-N461 WeakPolarHBondContact O-CB 3.27Å; R457-N461 PolarHBondContact O-N 3.4Å; R457-N461 PolarHBondContact O-OD1 3.41Å; R457-E482 IonicContact CZ-OE1 2.76Å; R457-E482 IonicContact NH1-OE1 3.59Å; R457-E482 PolarHBondContact NH1-OE1 3.33Å; R457-E482 IonicContact NH1-OE2 2.64Å; R457-E482 PolarHBondContact NH1-OE2 2.71Å; R457-E482 IonicContact NH2-OE1 3.39Å; R457-E482 PolarHBondContact NH2-OE1 2.91Å; R457-E483 WeakPolarHBondContact CD-OE1 3.43Å; R457-E483 IonicContact CZ-OE1 2.67Å; R457-E483 IonicContact NE-OE1 3.71Å; R457-E483 IonicContact NH1-OE1 3.53Å; R457-E483 PolarHBondContact NH1-OE1 2.64Å
458	Y	98.8	Very high	98.7	Very high	38 Å²	38	41.2 Å²	41.2	15%	0.149	20%	0.201	C	C	.	.	H	α-helix	trans	-60.6	-46.7	174.4	-176	-86.5	0	0	0	111.2	V411 T416 M421 Q454 L455 N461 N462 W464	V411-Y458 HydrophobicContact CG2-CD2 4.17Å; T416-Y458 HydrophobicContact CG2-CD1 4.42Å; T416-Y458 HydrophobicContact CG2-CD2 3.67Å; T416-Y458 HydrophobicContact CG2-CE2 4.1Å; T416-Y458 HydrophobicContact CG2-CG 3.85Å; M421-Y458 HydrophobicContact CE-CD1 3.71Å; M421-Y458 HydrophobicContact CE-CE1 3.74Å; M421-Y458 HydrophobicContact CE-CG 4.45Å; M421-Y458 HydrophobicContact CG-CE1 4.14Å; M421-Y458 HydrophobicContact SD-CD1 4.07Å; M421-Y458 HydrophobicContact SD-CE1 3.59Å; M421-Y458 VanDerWaalsContact SD-CE1 3.59Å; Q454-Y458 VanDerWaalsContact O-CB 3.29Å; Q454-Y458 WeakPolarHBondContact O-CB 3.41Å; Q454-Y458 PolarHBondContact O-N 3.32Å; L455-Y458 PolarHBondContact O-N 3.18Å; Y458-N461 PolarHBondContact O-N 2.96Å; Y458-N462 WeakPolarHBondContact CE1-ND2 3.29Å; Y458-N462 PolarHBondContact O-N 3.06Å; Y458-N462 PolarHBondContact O-ND2 3.42Å; Y458-W464 HydrophobicContact CD1-CZ3 4.31Å; Y458-W464 HydrophobicContact CE1-CH2 4.23Å; Y458-W464 AromaticContact CE1-CZ3 3.9Å; Y458-W464 HydrophobicContact CE1-CZ3 3.9Å
459	A	98.9	Very high	98.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-43.5	175.1	0	0	0	0	0	111.8	W440 L455 A456 N461 N462 Q463 W464 L467	W440-A459 HydrophobicContact CH2-CB 4.04Å; W440-A459 HydrophobicContact CZ2-CB 3.8Å; L455-A459 WeakPolarHBondContact O-CB 3.28Å; L455-A459 PolarHBondContact O-N 3.43Å; A456-A459 PolarHBondContact O-N 3.4Å; A459-N461 PolarHBondContact O-N 2.92Å; A459-N462 CarbonylContact O-C 3.55Å; A459-N462 PolarHBondContact O-N 3.12Å; A459-Q463 PolarHBondContact O-N 2.76Å; A459-W464 HydrophobicContact CB-CB 4.19Å; A459-W464 HydrophobicContact CB-CE3 4.47Å; A459-W464 PolarHBondContact O-N 3.24Å; A459-L467 HydrophobicContact CB-CB 3.91Å
460	F	98.8	Very high	98.8	Very high	32 Å²	32	33 Å²	33	14%	0.14	16%	0.159	C	C	.	.	H	α-helix	trans	-57.3	-48.5	175.1	-177.9	-86.6	0	0	0	112.2	A456 R457 N462 Q463 W465 E482 E483 P486	A456-F460 WeakPolarHBondContact O-CB 3.4Å; A456-F460 PolarHBondContact O-N 3.33Å; R457-F460 WeakPolarHBondContact O-CB 3.33Å; R457-F460 PolarHBondContact O-N 3.36Å; F460-N462 PolarHBondContact O-N 3.09Å; F460-Q463 PolarHBondContact O-N 3.11Å; F460-W465 HydrophobicContact CD2-CZ3 4.25Å; F460-W465 HydrophobicContact CE2-CZ3 4.37Å; F460-W465 WeakPolarHBondContact O-CZ3 3.24Å; F460-E482 HydrophobicContact CE1-CG 4.5Å; F460-E482 HydrophobicContact CE2-CG 4.1Å; F460-E482 WeakPolarHBondContact CE2-O 3.27Å; F460-E482 HydrophobicContact CZ-CG 3.81Å; F460-E483 HydrophobicContact CB-CG 4.24Å; F460-E483 HydrophobicContact CG-CG 4.48Å; F460-P486 HydrophobicContact CD2-CB 3.89Å; F460-P486 HydrophobicContact CE2-CB 3.73Å
461	N	98.6	Very high	98.8	Very high	84 Å²	84	28.9 Å²	28.9	45%	0.449	13%	0.134	S	C	.	.	H	α-helix	trans	-61.4	-29.2	178.9	-69.9	-10.1	0	0	0	112.5	R457 Y458 A459	R457-N461 PolarHBondContact NE-OD1 3.13Å; R457-N461 WeakPolarHBondContact O-CB 3.27Å; R457-N461 PolarHBondContact O-N 3.4Å; R457-N461 PolarHBondContact O-OD1 3.41Å; Y458-N461 PolarHBondContact O-N 2.96Å; A459-N461 PolarHBondContact O-N 2.92Å
462	N	98.7	Very high	98.8	Very high	68 Å²	68	26 Å²	26	36%	0.364	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	7.7	177.4	-75.4	-83.7	0	0	0	113.8	Y458 A459 F460 W464	Y458-N462 WeakPolarHBondContact CE1-ND2 3.29Å; Y458-N462 PolarHBondContact O-N 3.06Å; Y458-N462 PolarHBondContact O-ND2 3.42Å; A459-N462 CarbonylContact O-C 3.55Å; A459-N462 PolarHBondContact O-N 3.12Å; F460-N462 PolarHBondContact O-N 3.09Å; N462-W464 HydrophobicContact CB-CD2 3.86Å; N462-W464 HydrophobicContact CB-CE3 4.28Å; N462-W464 HydrophobicContact CB-CG 4.19Å; N462-W464 HydrophobicContact CB-CZ2 4.11Å; N462-W464 VanDerWaalsContact O-CD1 3.27Å; N462-W464 PolarHBondContact O-N 3.4Å; N462-W464 PolarHBondContact O-NE1 3.01Å
463	Q	98.7	Very high	98.8	Very high	133 Å²	133	29 Å²	29	62%	0.621	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	25	-176.7	-52.2	-169.1	-24	0	0	114.5	A459 F460 W465	A459-Q463 PolarHBondContact O-N 2.76Å; F460-Q463 PolarHBondContact O-N 3.11Å; Q463-W465 VanDerWaalsContact C-N 3.29Å; Q463-W465 HydrophobicContact CB-CD2 4.39Å; Q463-W465 HydrophobicContact CB-CH2 3.74Å; Q463-W465 HydrophobicContact CB-CZ2 3.37Å; Q463-W465 HydrophobicContact CB-CZ3 4.34Å; Q463-W465 HydrophobicContact CG-CH2 3.57Å; Q463-W465 HydrophobicContact CG-CZ2 3.5Å; Q463-W465 VanDerWaalsContact CG-CZ2 3.5Å; Q463-W465 HydrophobicContact CG-CZ3 4.44Å; Q463-W465 PolarHBondContact O-N 2.96Å; Q463-W465 VanDerWaalsContact O-N 3.13Å; Q463-W465 PolarHBondContact O-NE1 3.1Å
464	W	98.8	Very high	98.7	Very high	27 Å²	27	31.1 Å²	31.1	10%	0.102	15%	0.153	C	C	.	.			trans	-88.1	71.7	172.8	-56.5	-18	0	0	0	109.6	M421 V424 R425 M428 Y458 A459 N462 D466 L467 S468	M421-W464 HydrophobicContact SD-CH2 4.45Å; M421-W464 HydrophobicContact SD-CZ3 3.92Å; V424-W464 HydrophobicContact CG1-CE3 4.11Å; V424-W464 HydrophobicContact CG1-CH2 4.36Å; V424-W464 HydrophobicContact CG1-CZ3 3.79Å; R425-W464 HydrophobicContact CB-CH2 3.89Å; R425-W464 HydrophobicContact CB-CZ2 4.13Å; R425-W464 HydrophobicContact CG-CH2 4.31Å; R425-W464 HydrophobicContact CG-CZ2 4.16Å; M428-W464 HydrophobicContact CB-CD2 4.26Å; M428-W464 HydrophobicContact CB-CG 4.33Å; M428-W464 HydrophobicContact CB-CZ2 4.29Å; M428-W464 HydrophobicContact CE-CB 4Å; M428-W464 HydrophobicContact CE-CG 3.97Å; M428-W464 HydrophobicContact CG-CD2 3.83Å; M428-W464 HydrophobicContact CG-CE3 4.41Å; M428-W464 HydrophobicContact CG-CG 3.91Å; M428-W464 HydrophobicContact CG-CZ2 4.48Å; Y458-W464 HydrophobicContact CD1-CZ3 4.31Å; Y458-W464 HydrophobicContact CE1-CH2 4.23Å; Y458-W464 AromaticContact CE1-CZ3 3.9Å; Y458-W464 HydrophobicContact CE1-CZ3 3.9Å; A459-W464 HydrophobicContact CB-CB 4.19Å; A459-W464 HydrophobicContact CB-CE3 4.47Å; A459-W464 PolarHBondContact O-N 3.24Å; N462-W464 HydrophobicContact CB-CD2 3.86Å; N462-W464 HydrophobicContact CB-CE3 4.28Å; N462-W464 HydrophobicContact CB-CG 4.19Å; N462-W464 HydrophobicContact CB-CZ2 4.11Å; N462-W464 VanDerWaalsContact O-CD1 3.27Å; N462-W464 PolarHBondContact O-N 3.4Å; N462-W464 PolarHBondContact O-NE1 3.01Å; W464-D466 VanDerWaalsContact C-N 3.33Å; W464-D466 PolarHBondContact O-N 2.84Å; W464-L467 HydrophobicContact CB-CB 4.03Å; W464-L467 HydrophobicContact CB-CD1 4.1Å; W464-L467 HydrophobicContact CB-CG 4.12Å; W464-L467 HydrophobicContact CD2-CD1 4.34Å; W464-L467 HydrophobicContact CE3-CD1 3.95Å; W464-L467 HydrophobicContact CG-CD1 4.44Å; W464-L467 PolarHBondContact O-N 2.88Å; W464-L467 VanDerWaalsContact O-N 3.16Å; W464-S468 PolarHBondContact O-N 3Å
465	W	98.9	Very high	98.7	Very high	36 Å²	36	29.9 Å²	29.9	14%	0.136	15%	0.149	C	C	.	.	H	α-helix	trans	-58.4	-41	-167.3	-49.2	125.7	0	0	0	113.9	F460 Q463 V469 P486 A488 W517	F460-W465 HydrophobicContact CD2-CZ3 4.25Å; F460-W465 HydrophobicContact CE2-CZ3 4.37Å; F460-W465 WeakPolarHBondContact O-CZ3 3.24Å; Q463-W465 VanDerWaalsContact C-N 3.29Å; Q463-W465 HydrophobicContact CB-CD2 4.39Å; Q463-W465 HydrophobicContact CB-CH2 3.74Å; Q463-W465 HydrophobicContact CB-CZ2 3.37Å; Q463-W465 HydrophobicContact CB-CZ3 4.34Å; Q463-W465 HydrophobicContact CG-CH2 3.57Å; Q463-W465 HydrophobicContact CG-CZ2 3.5Å; Q463-W465 VanDerWaalsContact CG-CZ2 3.5Å; Q463-W465 HydrophobicContact CG-CZ3 4.44Å; Q463-W465 PolarHBondContact O-N 2.96Å; Q463-W465 VanDerWaalsContact O-N 3.13Å; Q463-W465 PolarHBondContact O-NE1 3.1Å; W465-V469 WeakPolarHBondContact O-CG2 3.26Å; W465-V469 PolarHBondContact O-N 3.02Å; W465-V469 VanDerWaalsContact O-N 3.14Å; W465-P486 HydrophobicContact CB-CG 3.94Å; W465-P486 HydrophobicContact CD2-CB 4.07Å; W465-P486 HydrophobicContact CD2-CG 4.45Å; W465-P486 HydrophobicContact CE3-CB 3.36Å; W465-P486 HydrophobicContact CE3-CG 4.04Å; W465-P486 HydrophobicContact CG-CG 4.48Å; W465-P486 HydrophobicContact CZ3-CB 3.85Å; W465-A488 HydrophobicContact CB-CB 3.76Å; W465-A488 HydrophobicContact CD2-CB 4.03Å; W465-A488 HydrophobicContact CG-CB 3.42Å; W465-A488 VanDerWaalsContact CG-CB 3.42Å; W465-W517 HydrophobicContact CB-CB 3.9Å; W465-W517 HydrophobicContact CB-CG 4.19Å
466	D	98.8	Very high	98.7	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-69.1	-38.4	178.5	67.8	-27.5	0	0	0	112.3	W464 V469 Q470 A516 W517 N518	W464-D466 VanDerWaalsContact C-N 3.33Å; W464-D466 PolarHBondContact O-N 2.84Å; D466-V469 PolarHBondContact O-N 3.25Å; D466-Q470 VanDerWaalsContact O-CB 3.31Å; D466-Q470 WeakPolarHBondContact O-CB 3.45Å; D466-Q470 PolarHBondContact O-N 3.07Å; D466-A516 WeakPolarHBondContact CA-O 2.95Å; D466-W517 HydrophobicContact CB-CB 4.31Å; D466-N518 HydrophobicContact CB-CB 4.01Å
467	L	98.9	Very high	98.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.4	-37.8	176.6	-57.6	-166.6	0	0	0	111.8	V424 M428 W440 A459 W464 Q470 A471	V424-L467 HydrophobicContact CG1-CD1 3.53Å; M428-L467 HydrophobicContact CG-CD1 3.93Å; M428-L467 HydrophobicContact SD-CD1 3.83Å; M428-L467 HydrophobicContact SD-CG 4.19Å; W440-L467 HydrophobicContact CB-CD1 4.46Å; W440-L467 HydrophobicContact CB-CD2 3.83Å; W440-L467 HydrophobicContact CD2-CB 4.07Å; W440-L467 HydrophobicContact CD2-CD1 4.05Å; W440-L467 HydrophobicContact CD2-CD2 4.45Å; W440-L467 HydrophobicContact CD2-CG 4.42Å; W440-L467 HydrophobicContact CE3-CD1 4.05Å; W440-L467 HydrophobicContact CG-CB 4.16Å; W440-L467 HydrophobicContact CG-CD1 4.23Å; W440-L467 HydrophobicContact CG-CD2 3.83Å; W440-L467 HydrophobicContact CG-CG 4.29Å; W440-L467 HydrophobicContact CZ2-CB 4.32Å; W440-L467 PolarHBondContact NE1-O 2.81Å; A459-L467 HydrophobicContact CB-CB 3.91Å; W464-L467 HydrophobicContact CB-CB 4.03Å; W464-L467 HydrophobicContact CB-CD1 4.1Å; W464-L467 HydrophobicContact CB-CG 4.12Å; W464-L467 HydrophobicContact CD2-CD1 4.34Å; W464-L467 HydrophobicContact CE3-CD1 3.95Å; W464-L467 HydrophobicContact CG-CD1 4.44Å; W464-L467 PolarHBondContact O-N 2.88Å; W464-L467 VanDerWaalsContact O-N 3.16Å; L467-Q470 PolarHBondContact O-N 3.42Å; L467-A471 WeakPolarHBondContact O-CB 3.4Å; L467-A471 PolarHBondContact O-N 3.34Å
468	S	98.9	Very high	98.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-56.3	-53.1	170.4	178.7	0	0	0	0	110.3	A456 W464 Q470 A471 T472 E483	A456-S468 PolarHBondContact O-OG 3.2Å; W464-S468 PolarHBondContact O-N 3Å; S468-Q470 VanDerWaalsContact C-N 3.35Å; S468-Q470 PolarHBondContact O-N 3.31Å; S468-A471 PolarHBondContact O-N 3.04Å; S468-T472 WeakPolarHBondContact O-CG2 3.23Å; S468-T472 PolarHBondContact O-N 3.14Å; S468-T472 VanDerWaalsContact O-N 3.17Å; S468-E483 WeakPolarHBondContact OG-CA 3.45Å; S468-E483 WeakPolarHBondContact OG-CB 3.32Å; S468-E483 PolarHBondContact OG-O 3.47Å
469	V	98.9	Very high	98.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.7	-42.4	178	173.1	0	0	0	0	111.5	W465 D466 A471 T472 I473 P486 A516	W465-V469 WeakPolarHBondContact O-CG2 3.26Å; W465-V469 PolarHBondContact O-N 3.02Å; W465-V469 VanDerWaalsContact O-N 3.14Å; D466-V469 PolarHBondContact O-N 3.25Å; V469-A471 VanDerWaalsContact C-N 3.34Å; V469-A471 PolarHBondContact O-N 2.9Å; V469-T472 PolarHBondContact O-N 3.14Å; V469-T472 PolarHBondContact O-OG1 3.5Å; V469-I473 HydrophobicContact CG1-CD1 3.82Å; V469-I473 HydrophobicContact CG1-CG1 4.47Å; V469-I473 WeakPolarHBondContact O-CG1 3.43Å; V469-I473 PolarHBondContact O-N 3.27Å; V469-I473 VanDerWaalsContact O-N 3.1Å; V469-P486 HydrophobicContact CG2-CG 4.36Å; V469-A516 HydrophobicContact CG1-CB 3.96Å
470	Q	98.8	Very high	98.6	Very high	18 Å²	18	39.4 Å²	39.4	8%	0.084	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-40.8	179	-177.6	177.2	-13.3	0	0	112.5	R437 D466 L467 S468 I473 A474	R437-Q470 PolarHBondContact O-NE2 3.05Å; D466-Q470 VanDerWaalsContact O-CB 3.31Å; D466-Q470 WeakPolarHBondContact O-CB 3.45Å; D466-Q470 PolarHBondContact O-N 3.07Å; L467-Q470 PolarHBondContact O-N 3.42Å; S468-Q470 VanDerWaalsContact C-N 3.35Å; S468-Q470 PolarHBondContact O-N 3.31Å; Q470-I473 PolarHBondContact O-N 3.14Å; Q470-A474 PolarHBondContact O-N 3.31Å
471	A	98.8	Very high	98.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65	-43	178.2	0	0	0	0	0	111.7	W440 V444 A456 L467 S468 V469 I473 A474 G475	W440-A471 HydrophobicContact CZ2-CB 4.36Å; V444-A471 HydrophobicContact CG1-CB 4.03Å; A456-A471 HydrophobicContact CB-CB 3.66Å; L467-A471 WeakPolarHBondContact O-CB 3.4Å; L467-A471 PolarHBondContact O-N 3.34Å; S468-A471 PolarHBondContact O-N 3.04Å; V469-A471 VanDerWaalsContact C-N 3.34Å; V469-A471 PolarHBondContact O-N 2.9Å; A471-I473 VanDerWaalsContact C-N 3.3Å; A471-I473 PolarHBondContact O-N 3.05Å; A471-A474 PolarHBondContact O-N 3.45Å; A471-G475 PolarHBondContact O-N 3.18Å
472	T	98.8	Very high	98.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-36.6	176.2	64.4	0	0	0	0	112.6	A456 S468 V469 K476 L477 E483 R484	A456-T472 HydrophobicContact CB-CG2 3.94Å; S468-T472 WeakPolarHBondContact O-CG2 3.23Å; S468-T472 PolarHBondContact O-N 3.14Å; S468-T472 VanDerWaalsContact O-N 3.17Å; V469-T472 PolarHBondContact O-N 3.14Å; V469-T472 PolarHBondContact O-OG1 3.5Å; T472-K476 PolarHBondContact O-N 3.32Å; T472-K476 VanDerWaalsContact O-N 3.08Å; T472-L477 HydrophobicContact CG2-CB 4.47Å; T472-L477 PolarHBondContact O-N 3.42Å; T472-E483 HydrophobicContact CG2-CB 3.68Å; T472-R484 HydrophobicContact CG2-CG 3.78Å; T472-R484 WeakPolarHBondContact OG1-CG 3.38Å
473	I	98.3	Very high	98.6	Very high	81 Å²	81	33.8 Å²	33.8	42%	0.415	16%	0.162	S	C	.	.	H	α-helix	trans	-66.1	-46.8	174.7	-67.8	166.5	0	0	0	110.6	V469 Q470 A471 G475 K476 W478	V469-I473 HydrophobicContact CG1-CD1 3.82Å; V469-I473 HydrophobicContact CG1-CG1 4.47Å; V469-I473 WeakPolarHBondContact O-CG1 3.43Å; V469-I473 PolarHBondContact O-N 3.27Å; V469-I473 VanDerWaalsContact O-N 3.1Å; Q470-I473 PolarHBondContact O-N 3.14Å; A471-I473 VanDerWaalsContact C-N 3.3Å; A471-I473 PolarHBondContact O-N 3.05Å; I473-G475 VanDerWaalsContact C-N 3.33Å; I473-G475 PolarHBondContact O-N 3.45Å; I473-K476 PolarHBondContact O-N 2.95Å; I473-W478 HydrophobicContact CG1-CZ3 4.27Å; I473-W478 HydrophobicContact CG2-CH2 4.48Å
474	A	97.7	Very high	98.6	Very high	48 Å²	48	28.4 Å²	28.4	40%	0.397	14%	0.136	S	C	.	.	H	α-helix	trans	-61	-41.2	-179.2	0	0	0	0	0	112.3	V444 Q470 A471	V444-A474 HydrophobicContact CB-CB 4.25Å; V444-A474 HydrophobicContact CG2-CB 3.78Å; Q470-A474 PolarHBondContact O-N 3.31Å; A471-A474 PolarHBondContact O-N 3.45Å
475	G	98.2	Very high	98.6	Very high	3 Å²	3	27.2 Å²	27.2	3%	0.031	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	0.3	178.8	0	0	0	0	0	115.9	K449 Q452 A471 I473 L477	K449-G475 WeakPolarHBondContact CE-O 3.22Å; Q452-G475 VanDerWaalsContact CD-CA 3.49Å; A471-G475 PolarHBondContact O-N 3.18Å; I473-G475 VanDerWaalsContact C-N 3.33Å; I473-G475 PolarHBondContact O-N 3.45Å; G475-L477 PolarHBondContact O-N 3.37Å
476	K	98.5	Very high	98.6	Very high	135 Å²	135	25.5 Å²	25.5	59%	0.587	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	41.7	-172.7	-58.1	178.3	-176.8	-74	0	111.6	T472 I473 W478	T472-K476 PolarHBondContact O-N 3.32Å; T472-K476 VanDerWaalsContact O-N 3.08Å; I473-K476 PolarHBondContact O-N 2.95Å; K476-W478 HydrophobicContact CB-CZ2 3.96Å; K476-W478 HydrophobicContact CG-CZ2 3.89Å; K476-W478 PolarHBondContact O-N 3.43Å
477	L	98.3	Very high	98.6	Very high	12 Å²	12	28.3 Å²	28.3	6%	0.063	14%	0.14	C	C	.	.			trans	-83.5	57.1	-177.1	-55.8	178.4	0	0	0	110.2	K449 Q452 A453 T472 G475 D479 H480 R484	K449-L477 HydrophobicContact CB-CD2 4.33Å; K449-L477 HydrophobicContact CD-CD2 4.42Å; K449-L477 HydrophobicContact CG-CD2 4.35Å; Q452-L477 HydrophobicContact CB-CD1 4.41Å; A453-L477 HydrophobicContact CB-CD1 3.75Å; T472-L477 HydrophobicContact CG2-CB 4.47Å; T472-L477 PolarHBondContact O-N 3.42Å; G475-L477 PolarHBondContact O-N 3.37Å; L477-D479 PolarHBondContact O-N 3.48Å; L477-H480 HydrophobicContact CB-CB 4.09Å; L477-H480 PolarHBondContact O-N 3.37Å; L477-H480 VanDerWaalsContact O-N 3.09Å; L477-R484 WeakPolarHBondContact O-CD 3.4Å
478	W	98.3	Very high	98.6	Very high	89 Å²	89	28.3 Å²	28.3	34%	0.337	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.9	-163.9	-54.4	130	0	0	0	115.1	R385 I473 K476 L481 R484	R385-W478 WeakPolarHBondContact CD-O 3.42Å; R385-W478 VanDerWaalsContact NH1-CB 3.27Å; I473-W478 HydrophobicContact CG1-CZ3 4.27Å; I473-W478 HydrophobicContact CG2-CH2 4.48Å; K476-W478 HydrophobicContact CB-CZ2 3.96Å; K476-W478 HydrophobicContact CG-CZ2 3.89Å; K476-W478 PolarHBondContact O-N 3.43Å; W478-L481 VanDerWaalsContact O-CD2 3.26Å; W478-L481 WeakPolarHBondContact O-CD2 3.47Å; W478-R484 WeakPolarHBondContact O-CD 3.3Å; W478-R484 PolarHBondContact O-NH1 3.43Å
479	D	98.5	Very high	98.6	Very high	37 Å²	37	30.9 Å²	30.9	20%	0.198	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-0.2	177.7	-59.1	-42.7	0	0	0	113.2	R385 K403 I404 D405 L477 L481	R385-D479 IonicContact CZ-OD1 3.62Å; R385-D479 IonicContact NH1-OD1 3.71Å; R385-D479 PolarHBondContact NH1-OD1 2.95Å; R385-D479 IonicContact NH1-OD2 2.79Å; K403-D479 HydrophobicContact CD-CB 4.34Å; K403-D479 HydrophobicContact CG-CB 4.18Å; I404-D479 CarbonylContact C-O 3.58Å; I404-D479 WeakPolarHBondContact CA-O 3.34Å; D405-D479 HydrophobicContact CB-CB 4.25Å; D405-D479 PolarHBondContact N-O 2.91Å; L477-D479 PolarHBondContact O-N 3.48Å; D479-L481 PolarHBondContact O-N 2.89Å
480	H	98.7	Very high	98.6	Very high	20 Å²	20	33.4 Å²	33.4	9%	0.093	16%	0.163	C	C	.	.			trans	-79.7	66.9	168.5	-73.1	42.5	0	0	0	109.8	D405 L477 E482 E483 R484	D405-H480 VanDerWaalsContact CB-CE1 3.5Å; D405-H480 WeakPolarHBondContact CB-CE1 3.27Å; D405-H480 WeakPolarHBondContact CB-ND1 3.25Å; D405-H480 WeakPolarHBondContact O-CA 3.43Å; L477-H480 HydrophobicContact CB-CB 4.09Å; L477-H480 PolarHBondContact O-N 3.37Å; L477-H480 VanDerWaalsContact O-N 3.09Å; H480-E482 VanDerWaalsContact C-N 3.3Å; H480-E482 PolarHBondContact O-N 3.13Å; H480-E483 PolarHBondContact O-N 3.29Å; H480-R484 WeakPolarHBondContact O-CB 3.46Å; H480-R484 VanDerWaalsContact O-CG 3.25Å; H480-R484 WeakPolarHBondContact O-CG 3.49Å; H480-R484 PolarHBondContact O-N 2.9Å; H480-R484 VanDerWaalsContact O-N 3.11Å
481	L	98.7	Very high	98.6	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-65	-32.1	-167.2	-60	-170.1	0	0	0	113	L402 I404 W478 D479 R484 F485 Y633 F637	L402-L481 HydrophobicContact CB-CD1 4.42Å; L402-L481 HydrophobicContact CD2-CD1 3.69Å; I404-L481 HydrophobicContact CG1-CB 4.22Å; I404-L481 HydrophobicContact CG1-CD1 4.02Å; I404-L481 HydrophobicContact CG1-CG 4.28Å; W478-L481 VanDerWaalsContact O-CD2 3.26Å; W478-L481 WeakPolarHBondContact O-CD2 3.47Å; D479-L481 PolarHBondContact O-N 2.89Å; L481-R484 PolarHBondContact O-N 3.45Å; L481-F485 HydrophobicContact CB-CD2 4.37Å; L481-F485 HydrophobicContact CD2-CD2 4.45Å; L481-F485 HydrophobicContact CD2-CE2 4.08Å; L481-F485 WeakPolarHBondContact O-CB 3.38Å; L481-F485 VanDerWaalsContact O-CD2 3.31Å; L481-F485 WeakPolarHBondContact O-CD2 3.48Å; L481-F485 PolarHBondContact O-N 3.43Å; L481-Y633 HydrophobicContact CD1-CD1 4.07Å; L481-Y633 HydrophobicContact CD1-CE1 3.97Å; L481-F637 VanDerWaalsContact C-CZ 3.48Å; L481-F637 HydrophobicContact CB-CE2 4.05Å; L481-F637 HydrophobicContact CB-CZ 3.81Å; L481-F637 WeakPolarHBondContact O-CE2 3.36Å
482	E	98.8	Very high	98.6	Very high	62 Å²	62	39.6 Å²	39.6	29%	0.29	20%	0.197	S	C	.	.	H	α-helix	trans	-63.6	-48.1	-179.3	-164.2	-176.1	158.9	0	0	110.8	R457 F460 H480 R484 F485 F637	R457-E482 IonicContact CZ-OE1 2.76Å; R457-E482 IonicContact NH1-OE1 3.59Å; R457-E482 PolarHBondContact NH1-OE1 3.33Å; R457-E482 IonicContact NH1-OE2 2.64Å; R457-E482 PolarHBondContact NH1-OE2 2.71Å; R457-E482 IonicContact NH2-OE1 3.39Å; R457-E482 PolarHBondContact NH2-OE1 2.91Å; F460-E482 HydrophobicContact CE1-CG 4.5Å; F460-E482 HydrophobicContact CE2-CG 4.1Å; F460-E482 WeakPolarHBondContact CE2-O 3.27Å; F460-E482 HydrophobicContact CZ-CG 3.81Å; H480-E482 VanDerWaalsContact C-N 3.3Å; H480-E482 PolarHBondContact O-N 3.13Å; E482-R484 VanDerWaalsContact C-N 3.31Å; E482-R484 PolarHBondContact O-N 3.01Å; E482-F485 CarbonylContact O-C 3.38Å; E482-F485 PolarHBondContact O-N 3.36Å; E482-F637 VanDerWaalsContact CA-CZ 3.42Å; E482-F637 HydrophobicContact CB-CE1 3.92Å; E482-F637 HydrophobicContact CB-CZ 3.96Å; E482-F637 HydrophobicContact CG-CE1 4.06Å; E482-F637 HydrophobicContact CG-CZ 4.5Å; E482-F637 VanDerWaalsContact N-CZ 3.33Å
483	E	98.8	Very high	98.6	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.014	20%	0.197	C	C	.	.	H	α-helix	trans	-72	-25.1	177.1	-66.1	72.2	-152.7	0	0	112.8	A456 R457 F460 S468 T472 H480	A456-E483 HydrophobicContact CB-CB 4.2Å; A456-E483 HydrophobicContact CB-CG 4.2Å; R457-E483 WeakPolarHBondContact CD-OE1 3.43Å; R457-E483 IonicContact CZ-OE1 2.67Å; R457-E483 IonicContact NE-OE1 3.71Å; R457-E483 IonicContact NH1-OE1 3.53Å; R457-E483 PolarHBondContact NH1-OE1 2.64Å; F460-E483 HydrophobicContact CB-CG 4.24Å; F460-E483 HydrophobicContact CG-CG 4.48Å; S468-E483 WeakPolarHBondContact OG-CA 3.45Å; S468-E483 WeakPolarHBondContact OG-CB 3.32Å; S468-E483 PolarHBondContact OG-O 3.47Å; T472-E483 HydrophobicContact CG2-CB 3.68Å; H480-E483 PolarHBondContact O-N 3.29Å
484	R	98.8	Very high	98.6	Very high	20 Å²	20	41.8 Å²	41.8	8%	0.075	20%	0.203	C	C	.	.	H	α-helix	trans	-77.9	-27.1	176.3	-74.9	-174.9	72.1	-131.1	-10.8	113.5	T472 L477 W478 H480 L481 E482 P486 R512	T472-R484 HydrophobicContact CG2-CG 3.78Å; T472-R484 WeakPolarHBondContact OG1-CG 3.38Å; L477-R484 WeakPolarHBondContact O-CD 3.4Å; W478-R484 WeakPolarHBondContact O-CD 3.3Å; W478-R484 PolarHBondContact O-NH1 3.43Å; H480-R484 WeakPolarHBondContact O-CB 3.46Å; H480-R484 VanDerWaalsContact O-CG 3.25Å; H480-R484 WeakPolarHBondContact O-CG 3.49Å; H480-R484 PolarHBondContact O-N 2.9Å; H480-R484 VanDerWaalsContact O-N 3.11Å; L481-R484 PolarHBondContact O-N 3.45Å; E482-R484 VanDerWaalsContact C-N 3.31Å; E482-R484 PolarHBondContact O-N 3.01Å; R484-P486 VanDerWaalsContact C-CD 3.45Å; R484-R512 PolarHBondContact O-NE 2.54Å; R484-R512 PolarHBondContact O-NH2 3.08Å
485	F	98.9	Very high	98.7	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	21%	0.21	C	C	.	.	S	Bend	trans	-131.9	58	-174.8	-59	-73.2	0	0	0	111.4	L481 E482 R512 Y630 Y633 Y634 F637	L481-F485 HydrophobicContact CB-CD2 4.37Å; L481-F485 HydrophobicContact CD2-CD2 4.45Å; L481-F485 HydrophobicContact CD2-CE2 4.08Å; L481-F485 WeakPolarHBondContact O-CB 3.38Å; L481-F485 VanDerWaalsContact O-CD2 3.31Å; L481-F485 WeakPolarHBondContact O-CD2 3.48Å; L481-F485 PolarHBondContact O-N 3.43Å; E482-F485 CarbonylContact O-C 3.38Å; E482-F485 PolarHBondContact O-N 3.36Å; F485-R512 HydrophobicContact CD1-CG 3.98Å; F485-R512 HydrophobicContact CE1-CG 4.06Å; F485-Y630 HydrophobicContact CD1-CD1 4.4Å; F485-Y630 HydrophobicContact CD1-CG 4.38Å; F485-Y630 AromaticContact CE1-CD1 3.27Å; F485-Y630 HydrophobicContact CE1-CD1 3.27Å; F485-Y630 HydrophobicContact CE1-CD2 4.08Å; F485-Y630 AromaticContact CE1-CE1 3.61Å; F485-Y630 HydrophobicContact CE1-CE1 3.61Å; F485-Y630 HydrophobicContact CE1-CE2 4.36Å; F485-Y630 AromaticContact CE1-CG 3.54Å; F485-Y630 HydrophobicContact CE1-CG 3.54Å; F485-Y630 AromaticContact CZ-CD1 3.49Å; F485-Y630 HydrophobicContact CZ-CD1 3.49Å; F485-Y630 VanDerWaalsContact CZ-CD1 3.49Å; F485-Y630 AromaticContact CZ-CE1 3.56Å; F485-Y630 HydrophobicContact CZ-CE1 3.56Å; F485-Y630 HydrophobicContact CZ-CG 4.24Å; F485-Y633 HydrophobicContact CD1-CD2 4.19Å; F485-Y633 AromaticContact CD2-CD2 3.68Å; F485-Y633 HydrophobicContact CD2-CD2 3.68Å; F485-Y633 HydrophobicContact CD2-CE2 4.47Å; F485-Y633 AromaticContact CD2-CG 3.99Å; F485-Y633 HydrophobicContact CD2-CG 3.99Å; F485-Y633 AromaticContact CE1-CD2 3.8Å; F485-Y633 HydrophobicContact CE1-CD2 3.8Å; F485-Y633 HydrophobicContact CE1-CE2 4.42Å; F485-Y633 AromaticContact CE2-CD2 3.22Å; F485-Y633 HydrophobicContact CE2-CD2 3.22Å; F485-Y633 AromaticContact CE2-CE2 3.62Å; F485-Y633 HydrophobicContact CE2-CE2 3.62Å; F485-Y633 AromaticContact CE2-CG 3.95Å; F485-Y633 HydrophobicContact CE2-CG 3.95Å; F485-Y633 HydrophobicContact CG-CD2 4.16Å; F485-Y633 HydrophobicContact CG-CG 4.46Å; F485-Y633 AromaticContact CZ-CD2 3.29Å; F485-Y633 HydrophobicContact CZ-CD2 3.29Å; F485-Y633 AromaticContact CZ-CE2 3.6Å; F485-Y633 HydrophobicContact CZ-CE2 3.6Å; F485-Y633 HydrophobicContact CZ-CG 4.37Å; F485-Y634 HydrophobicContact CB-CE1 4.06Å; F485-Y634 HydrophobicContact CD1-CE2 4.37Å; F485-Y634 WeakPolarHBondContact O-CE1 3.12Å; F485-F637 HydrophobicContact CB-CD2 4.24Å; F485-F637 HydrophobicContact CB-CE2 4.11Å
486	P	98.9	Very high	98.7	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	22%	0.216	C	C	.	.			trans	-63.3	149.2	179.4	27.9	-35.1	0	0	0	111.5	F460 W465 V469 R484 A488 Y634	F460-P486 HydrophobicContact CD2-CB 3.89Å; F460-P486 HydrophobicContact CE2-CB 3.73Å; W465-P486 HydrophobicContact CB-CG 3.94Å; W465-P486 HydrophobicContact CD2-CB 4.07Å; W465-P486 HydrophobicContact CD2-CG 4.45Å; W465-P486 HydrophobicContact CE3-CB 3.36Å; W465-P486 HydrophobicContact CE3-CG 4.04Å; W465-P486 HydrophobicContact CG-CG 4.48Å; W465-P486 HydrophobicContact CZ3-CB 3.85Å; V469-P486 HydrophobicContact CG2-CG 4.36Å; R484-P486 VanDerWaalsContact C-CD 3.45Å; P486-A488 PolarHBondContact O-N 2.91Å; P486-Y634 WeakPolarHBondContact O-CE1 3.26Å
487	L	98.8	Very high	98.7	Very high	62 Å²	62	42.2 Å²	42.2	33%	0.325	19%	0.191	S	C	.	.			trans	-74.5	58.3	174	-63.7	177.2	0	0	0	111.7	M508 Y634 F637 M638	L487-M508 HydrophobicContact CB-CE 4.38Å; L487-M508 HydrophobicContact CD2-CE 3.93Å; L487-Y634 HydrophobicContact CD2-CD1 4.15Å; L487-F637 HydrophobicContact CD2-CB 4.32Å; L487-M638 HydrophobicContact CD2-CE 3.92Å; L487-M638 HydrophobicContact CD2-CG 3.99Å
488	A	98.7	Very high	98.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	137.8	-175.7	0	0	0	0	0	112.2	W465 P486 N490 F493 W517	W465-A488 HydrophobicContact CB-CB 3.76Å; W465-A488 HydrophobicContact CD2-CB 4.03Å; W465-A488 HydrophobicContact CG-CB 3.42Å; W465-A488 VanDerWaalsContact CG-CB 3.42Å; P486-A488 PolarHBondContact O-N 2.91Å; A488-N490 PolarHBondContact O-N 3.36Å; A488-N490 VanDerWaalsContact O-N 3.08Å; A488-F493 WeakPolarHBondContact O-CD2 3.41Å; A488-W517 HydrophobicContact CB-CD2 3.54Å; A488-W517 HydrophobicContact CB-CE3 3.79Å; A488-W517 HydrophobicContact CB-CG 3.94Å; A488-W517 HydrophobicContact CB-CH2 4.16Å; A488-W517 HydrophobicContact CB-CZ2 3.89Å; A488-W517 HydrophobicContact CB-CZ3 4.11Å
489	Y	98.8	Very high	98.7	Very high	54 Å²	54	45.9 Å²	45.9	21%	0.212	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	32.7	178.9	-55.6	-79.9	0	0	0	113.8	D491 L492 F493 W517 P519 L530 P559 I563	Y489-D491 VanDerWaalsContact C-N 3.28Å; Y489-D491 PolarHBondContact O-N 3.32Å; Y489-D491 VanDerWaalsContact O-N 3.16Å; Y489-L492 HydrophobicContact CD1-CD1 4Å; Y489-L492 PolarHBondContact O-N 3.26Å; Y489-F493 WeakPolarHBondContact O-CD2 3.44Å; Y489-F493 PolarHBondContact O-N 3.38Å; Y489-W517 HydrophobicContact CD2-CE3 4.41Å; Y489-P519 WeakPolarHBondContact OH-CG 3.33Å; Y489-L530 HydrophobicContact CD2-CD1 3.8Å; Y489-L530 HydrophobicContact CD2-CD2 4.39Å; Y489-L530 HydrophobicContact CE2-CD1 3.72Å; Y489-L530 HydrophobicContact CE2-CD2 3.8Å; Y489-L530 HydrophobicContact CE2-CG 4.41Å; Y489-L530 HydrophobicContact CG-CD1 4.36Å; Y489-P559 HydrophobicContact CD1-CB 4.07Å; Y489-P559 HydrophobicContact CE1-CB 3.66Å; Y489-P559 HydrophobicContact CE1-CG 3.85Å; Y489-I563 HydrophobicContact CG-CD1 4.3Å
490	N	98.7	Very high	98.7	Very high	53 Å²	53	46.4 Å²	46.4	28%	0.283	25%	0.245	S	C	.	.	H	α-helix	trans	-49.6	-45.9	-171.1	-178.9	73.5	0	0	0	113.2	A488 L492 F493 K494 Q504	A488-N490 PolarHBondContact O-N 3.36Å; A488-N490 VanDerWaalsContact O-N 3.08Å; N490-L492 PolarHBondContact O-N 3.33Å; N490-F493 PolarHBondContact O-N 3.07Å; N490-K494 VanDerWaalsContact O-CB 3.28Å; N490-K494 WeakPolarHBondContact O-CB 3.46Å; N490-K494 PolarHBondContact O-N 3.5Å; N490-Q504 PolarHBondContact O-NE2 3.34Å; N490-Q504 PolarHBondContact OD1-NE2 3.27Å
491	D	98.7	Very high	98.7	Very high	118 Å²	118	50.4 Å²	50.4	63%	0.631	26%	0.263	S	S	*	.	H	α-helix	trans	-67.7	-36.7	-178.4	-62.3	-22.4	0	0	0	112.8	Y489 R495	Y489-D491 VanDerWaalsContact C-N 3.28Å; Y489-D491 PolarHBondContact O-N 3.32Å; Y489-D491 VanDerWaalsContact O-N 3.16Å; D491-R495 VanDerWaalsContact O-CB 3.29Å; D491-R495 WeakPolarHBondContact O-CB 3.46Å; D491-R495 PolarHBondContact O-N 3.12Å
492	L	98.9	Very high	98.7	Very high	30 Å²	30	50.5 Å²	50.5	16%	0.157	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-48.2	175.1	-68.8	177.4	0	0	0	110.3	Y489 N490 K494 R495 Y496 P559 E560 I563	Y489-L492 HydrophobicContact CD1-CD1 4Å; Y489-L492 PolarHBondContact O-N 3.26Å; N490-L492 PolarHBondContact O-N 3.33Å; L492-K494 VanDerWaalsContact C-N 3.35Å; L492-K494 PolarHBondContact O-N 3.49Å; L492-R495 PolarHBondContact O-N 3.24Å; L492-Y496 HydrophobicContact CD2-CE2 4.33Å; L492-Y496 WeakPolarHBondContact O-CB 3.49Å; L492-Y496 VanDerWaalsContact O-CD2 3.24Å; L492-Y496 WeakPolarHBondContact O-CD2 3.46Å; L492-Y496 PolarHBondContact O-N 3.45Å; L492-P559 HydrophobicContact CD1-CB 4.39Å; L492-E560 HydrophobicContact CD1-CB 4.22Å; L492-E560 HydrophobicContact CD2-CB 4.12Å; L492-E560 HydrophobicContact CD2-CG 4.1Å; L492-I563 HydrophobicContact CB-CD1 3.81Å; L492-I563 HydrophobicContact CD1-CD1 4.07Å
493	F	98.9	Very high	98.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-48.2	176.6	-81.5	-73.9	0	0	0	111.1	A488 Y489 N490 R495 Y496 T497 Q504 A507 M508 A511 W517 M531 I563	A488-F493 WeakPolarHBondContact O-CD2 3.41Å; Y489-F493 WeakPolarHBondContact O-CD2 3.44Å; Y489-F493 PolarHBondContact O-N 3.38Å; N490-F493 PolarHBondContact O-N 3.07Å; F493-R495 VanDerWaalsContact C-N 3.34Å; F493-R495 PolarHBondContact O-N 3.02Å; F493-Y496 PolarHBondContact O-N 3.32Å; F493-T497 WeakPolarHBondContact O-CG2 3.44Å; F493-T497 PolarHBondContact O-N 3.22Å; F493-T497 PolarHBondContact O-OG1 2.86Å; F493-Q504 HydrophobicContact CB-CG 3.85Å; F493-A507 HydrophobicContact CD1-CB 3.85Å; F493-A507 HydrophobicContact CE1-CB 4.09Å; F493-M508 HydrophobicContact CB-CG 4.03Å; F493-M508 HydrophobicContact CB-SD 4.21Å; F493-M508 HydrophobicContact CD1-CG 3.91Å; F493-M508 HydrophobicContact CD2-CG 3.65Å; F493-M508 HydrophobicContact CD2-SD 4.34Å; F493-M508 HydrophobicContact CE1-CG 4.29Å; F493-M508 HydrophobicContact CE2-CG 4.06Å; F493-M508 HydrophobicContact CG-CG 3.58Å; F493-M508 HydrophobicContact CG-SD 4.32Å; F493-M508 HydrophobicContact CZ-CG 4.37Å; F493-A511 HydrophobicContact CE1-CB 4.26Å; F493-A511 HydrophobicContact CZ-CB 3.66Å; F493-W517 HydrophobicContact CD2-CH2 4.44Å; F493-W517 AromaticContact CE2-CH2 3.6Å; F493-W517 HydrophobicContact CE2-CH2 3.6Å; F493-W517 AromaticContact CE2-CZ3 3.49Å; F493-W517 HydrophobicContact CE2-CZ3 3.49Å; F493-W517 VanDerWaalsContact CE2-CZ3 3.49Å; F493-W517 AromaticContact CZ-CH2 3.9Å; F493-W517 HydrophobicContact CZ-CH2 3.9Å; F493-W517 AromaticContact CZ-CZ3 3.72Å; F493-W517 HydrophobicContact CZ-CZ3 3.72Å; F493-M531 HydrophobicContact CE1-SD 4.48Å; F493-I563 HydrophobicContact CD1-CG2 4.1Å; F493-I563 HydrophobicContact CD2-CD1 4.04Å; F493-I563 HydrophobicContact CE1-CD1 4.4Å; F493-I563 HydrophobicContact CE1-CG1 4.1Å; F493-I563 HydrophobicContact CE1-CG2 4.17Å; F493-I563 HydrophobicContact CE2-CD1 3.68Å; F493-I563 HydrophobicContact CE2-CG1 4.16Å; F493-I563 HydrophobicContact CZ-CD1 3.87Å; F493-I563 HydrophobicContact CZ-CG1 3.81Å
494	K	98.8	Very high	98.7	Very high	128 Å²	128	51.5 Å²	51.5	56%	0.557	27%	0.272	S	S	*	.	H	α-helix	trans	-53.9	-49.5	176.3	-172.7	179.8	-177.6	178.8	0	111.8	N490 L492 T497 S498	N490-K494 VanDerWaalsContact O-CB 3.28Å; N490-K494 WeakPolarHBondContact O-CB 3.46Å; N490-K494 PolarHBondContact O-N 3.5Å; L492-K494 VanDerWaalsContact C-N 3.35Å; L492-K494 PolarHBondContact O-N 3.49Å; K494-T497 PolarHBondContact O-N 2.71Å; K494-S498 WeakPolarHBondContact O-CB 3.49Å; K494-S498 PolarHBondContact O-N 3.35Å
495	R	98.8	Very high	98.7	Very high	140 Å²	140	50.8 Å²	50.8	53%	0.528	27%	0.27	S	S	.	.	H	α-helix	trans	-59.6	-46.6	178	-178.6	-169.6	-60.4	167.4	0.9	111.9	D491 L492 F493 S498 E560	D491-R495 VanDerWaalsContact O-CB 3.29Å; D491-R495 WeakPolarHBondContact O-CB 3.46Å; D491-R495 PolarHBondContact O-N 3.12Å; L492-R495 PolarHBondContact O-N 3.24Å; F493-R495 VanDerWaalsContact C-N 3.34Å; F493-R495 PolarHBondContact O-N 3.02Å; R495-S498 PolarHBondContact O-OG 2.81Å; R495-S498 VanDerWaalsContact O-OG 3.11Å; R495-E560 IonicContact CZ-OE1 3.59Å; R495-E560 IonicContact NH1-OE1 2.73Å; R495-E560 PolarHBondContact NH1-OE1 2.69Å; R495-E560 IonicContact NH1-OE2 3.47Å
496	Y	98.8	Very high	98.7	Very high	43 Å²	43	50.7 Å²	50.7	17%	0.169	27%	0.27	C	S	.	.	H	α-helix	trans	-83.4	-11.3	-173.9	-77.1	-72.8	0	0	0	113.9	L492 F493 K500 E560 I563 N564	L492-Y496 HydrophobicContact CD2-CE2 4.33Å; L492-Y496 WeakPolarHBondContact O-CB 3.49Å; L492-Y496 VanDerWaalsContact O-CD2 3.24Å; L492-Y496 WeakPolarHBondContact O-CD2 3.46Å; L492-Y496 PolarHBondContact O-N 3.45Å; F493-Y496 PolarHBondContact O-N 3.32Å; Y496-K500 VanDerWaalsContact O-CD 3.26Å; Y496-K500 WeakPolarHBondContact O-CD 3.45Å; Y496-K500 PolarHBondContact O-NZ 3.38Å; Y496-E560 HydrophobicContact CE2-CG 3.72Å; Y496-E560 WeakPolarHBondContact OH-CG 3.32Å; Y496-E560 PolarHBondContact OH-OE1 2.95Å; Y496-I563 HydrophobicContact CD2-CG2 3.92Å; Y496-I563 HydrophobicContact CG-CG2 4.11Å; Y496-N564 HydrophobicContact CD1-CB 3.82Å; Y496-N564 HydrophobicContact CE1-CB 3.43Å; Y496-N564 VanDerWaalsContact CE1-CB 3.43Å; Y496-N564 WeakPolarHBondContact CE1-OD1 3.27Å; Y496-N564 HydrophobicContact CE2-CB 4.46Å; Y496-N564 HydrophobicContact CG-CB 4.47Å
497	T	98.8	Very high	98.7	Very high	11 Å²	11	50.7 Å²	50.7	7%	0.067	27%	0.27	C	S	.	.	H	α-helix	trans	-102.3	-16.3	171	61.1	0	0	0	0	114	F493 K494 G499 K500 I502 A507 T567	F493-T497 WeakPolarHBondContact O-CG2 3.44Å; F493-T497 PolarHBondContact O-N 3.22Å; F493-T497 PolarHBondContact O-OG1 2.86Å; K494-T497 PolarHBondContact O-N 2.71Å; T497-G499 PolarHBondContact O-N 3.03Å; T497-G499 VanDerWaalsContact O-N 3.13Å; T497-K500 PolarHBondContact O-N 3.5Å; T497-I502 HydrophobicContact CG2-CD1 4.18Å; T497-I502 HydrophobicContact CG2-CG1 4.31Å; T497-A507 HydrophobicContact CG2-CB 3.87Å; T497-T567 HydrophobicContact CG2-CG2 4.17Å
498	S	98	Very high	98.7	Very high	101 Å²	101	47.7 Å²	47.7	71%	0.706	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.7	-175.5	63.8	0	0	0	0	114.8	K494 R495	K494-S498 WeakPolarHBondContact O-CB 3.49Å; K494-S498 PolarHBondContact O-N 3.35Å; R495-S498 PolarHBondContact O-OG 2.81Å; R495-S498 VanDerWaalsContact O-OG 3.11Å
499	G	96.8	Very high	98.7	Very high	77 Å²	77	47.7 Å²	47.7	79%	0.794	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	15.5	174.3	0	0	0	0	0	114.1	T497	T497-G499 PolarHBondContact O-N 3.03Å; T497-G499 VanDerWaalsContact O-N 3.13Å
500	K	98.7	Very high	98.7	Very high	49 Å²	49	45.1 Å²	45.1	21%	0.213	24%	0.244	C	C	.	.	S	Bend	trans	-127.2	162.8	-175.8	-59.4	-174	170.8	100.7	0	110	Y496 T497 I502 T567 Q571	Y496-K500 VanDerWaalsContact O-CD 3.26Å; Y496-K500 WeakPolarHBondContact O-CD 3.45Å; Y496-K500 PolarHBondContact O-NZ 3.38Å; T497-K500 PolarHBondContact O-N 3.5Å; K500-I502 HydrophobicContact CB-CG1 3.74Å; K500-I502 HydrophobicContact CD-CD1 4.02Å; K500-I502 HydrophobicContact CD-CG1 4.15Å; K500-T567 PolarHBondContact NZ-OG1 2.92Å; K500-Q571 HydrophobicContact CB-CB 4.43Å; K500-Q571 HydrophobicContact CB-CG 4.29Å; K500-Q571 HydrophobicContact CD-CB 3.85Å; K500-Q571 HydrophobicContact CD-CG 4.33Å; K500-Q571 HydrophobicContact CG-CB 4.37Å; K500-Q571 HydrophobicContact CG-CG 4.33Å
501	E	98.6	Very high	98.7	Very high	104 Å²	104	42.6 Å²	42.6	49%	0.486	23%	0.231	S	C	.	.	S	Bend	trans	-87.8	-20.6	177.2	-63.6	168.7	99.3	0	0	112.2	P503 Q571 Y574 N579	E501-P503 WeakPolarHBondContact O-CD 3.47Å; E501-Q571 PolarHBondContact OE2-NE2 3Å; E501-Y574 HydrophobicContact CB-CD1 4.22Å; E501-Y574 HydrophobicContact CB-CE1 4.07Å; E501-N579 PolarHBondContact OE1-ND2 2.83Å
502	I	98.8	Very high	98.7	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.015	20%	0.203	C	C	.	.	S	Bend	trans	-61.4	126.7	173.1	50.4	165.9	0	0	0	110.5	T497 K500 Y506 A507 T567 L570 Q571 Y574	T497-I502 HydrophobicContact CG2-CD1 4.18Å; T497-I502 HydrophobicContact CG2-CG1 4.31Å; K500-I502 HydrophobicContact CB-CG1 3.74Å; K500-I502 HydrophobicContact CD-CD1 4.02Å; K500-I502 HydrophobicContact CD-CG1 4.15Å; I502-Y506 HydrophobicContact CB-CD1 4.38Å; I502-Y506 HydrophobicContact CG2-CD1 4.26Å; I502-Y506 HydrophobicContact CG2-CE1 4.46Å; I502-A507 HydrophobicContact CD1-CB 4.49Å; I502-T567 HydrophobicContact CD1-CG2 4.4Å; I502-T567 WeakPolarHBondContact CD1-O 3.46Å; I502-L570 HydrophobicContact CD1-CB 4.17Å; I502-L570 HydrophobicContact CD1-CD2 4Å; I502-L570 HydrophobicContact CD1-CG 4.16Å; I502-L570 HydrophobicContact CG2-CG 4.22Å; I502-Q571 HydrophobicContact CD1-CB 4.28Å; I502-Q571 HydrophobicContact CG1-CB 4.29Å; I502-Q571 HydrophobicContact CG2-CB 4.43Å; I502-Q571 VanDerWaalsContact N-OE1 3.12Å; I502-Y574 HydrophobicContact CB-CD1 4.49Å; I502-Y574 VanDerWaalsContact CG2-CB 3.43Å; I502-Y574 HydrophobicContact CG2-CD1 3.49Å; I502-Y574 VanDerWaalsContact CG2-CD1 3.49Å; I502-Y574 HydrophobicContact CG2-CD2 4.11Å; I502-Y574 HydrophobicContact CG2-CE1 4.2Å; I502-Y574 HydrophobicContact CG2-CG 3.42Å; I502-Y574 VanDerWaalsContact CG2-CG 3.42Å
503	P	98.8	Very high	98.7	Very high	48 Å²	48	38.8 Å²	38.8	31%	0.312	21%	0.208	S	C	.	.			trans	-61.2	147.8	174.3	-24.7	34.6	0	0	0	112.3	E501 S505 Y506 A507	E501-P503 WeakPolarHBondContact O-CD 3.47Å; P503-S505 VanDerWaalsContact C-N 3.31Å; P503-S505 PolarHBondContact O-N 3.06Å; P503-Y506 WeakPolarHBondContact O-CB 3.37Å; P503-Y506 PolarHBondContact O-N 2.93Å; P503-Y506 VanDerWaalsContact O-N 3.16Å; P503-A507 PolarHBondContact O-N 2.6Å; P503-A507 VanDerWaalsContact O-N 3.08Å
504	Q	98.9	Very high	98.7	Very high	38 Å²	38	40.9 Å²	40.9	18%	0.178	22%	0.218	C	C	.	.	H	α-helix	trans	-57.7	-46	174.4	-170.5	-169.8	-39.4	0	0	111.3	N490 F493 Y506 A507 M508 M638	N490-Q504 PolarHBondContact O-NE2 3.34Å; N490-Q504 PolarHBondContact OD1-NE2 3.27Å; F493-Q504 HydrophobicContact CB-CG 3.85Å; Q504-Y506 VanDerWaalsContact C-N 3.25Å; Q504-Y506 PolarHBondContact O-N 2.81Å; Q504-A507 PolarHBondContact O-N 3.03Å; Q504-M508 HydrophobicContact CG-SD 4.05Å; Q504-M508 WeakPolarHBondContact O-CG 3.44Å; Q504-M508 PolarHBondContact O-N 2.67Å; Q504-M638 HydrophobicContact CG-CE 4.27Å
505	S	98.9	Very high	98.7	Very high	5 Å²	5	35.3 Å²	35.3	4%	0.035	20%	0.195	C	C	.	.	H	α-helix	trans	-57.7	-38	177.2	61.8	0	0	0	0	112.2	P503 M508 A509 D631	P503-S505 VanDerWaalsContact C-N 3.31Å; P503-S505 PolarHBondContact O-N 3.06Å; S505-M508 PolarHBondContact O-N 3.04Å; S505-A509 WeakPolarHBondContact O-CB 3.47Å; S505-A509 PolarHBondContact O-N 2.63Å; S505-D631 WeakPolarHBondContact CB-OD1 3.46Å; S505-D631 PolarHBondContact OG-OD1 3.47Å
506	Y	98.9	Very high	98.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.9	-43.5	178.5	179.7	-131.5	0	0	0	112.3	I502 P503 Q504 M508 A509 I510 L570 Y574 R581 S584 S585 V627 D631	I502-Y506 HydrophobicContact CB-CD1 4.38Å; I502-Y506 HydrophobicContact CG2-CD1 4.26Å; I502-Y506 HydrophobicContact CG2-CE1 4.46Å; P503-Y506 WeakPolarHBondContact O-CB 3.37Å; P503-Y506 PolarHBondContact O-N 2.93Å; P503-Y506 VanDerWaalsContact O-N 3.16Å; Q504-Y506 VanDerWaalsContact C-N 3.25Å; Q504-Y506 PolarHBondContact O-N 2.81Å; Y506-M508 VanDerWaalsContact C-N 3.28Å; Y506-M508 PolarHBondContact O-N 3.46Å; Y506-A509 WeakPolarHBondContact O-CB 3.35Å; Y506-A509 PolarHBondContact O-N 3.27Å; Y506-I510 HydrophobicContact CD2-CG1 4.48Å; Y506-I510 HydrophobicContact CE2-CD1 4.23Å; Y506-I510 HydrophobicContact CE2-CG1 4.07Å; Y506-I510 WeakPolarHBondContact O-CG1 3.37Å; Y506-I510 PolarHBondContact O-N 2.76Å; Y506-L570 HydrophobicContact CD1-CD2 4.22Å; Y506-L570 HydrophobicContact CE1-CD1 3.88Å; Y506-L570 HydrophobicContact CE1-CD2 4.16Å; Y506-L570 HydrophobicContact CE1-CG 4.16Å; Y506-Y574 HydrophobicContact CE1-CD2 4.07Å; Y506-Y574 HydrophobicContact CE1-CE2 4.39Å; Y506-R581 HydrophobicContact CD1-CG 4.05Å; Y506-R581 HydrophobicContact CD2-CB 4.35Å; Y506-R581 HydrophobicContact CD2-CG 3.94Å; Y506-R581 HydrophobicContact CE1-CG 4Å; Y506-R581 HydrophobicContact CE2-CB 3.92Å; Y506-R581 HydrophobicContact CE2-CG 3.92Å; Y506-R581 HydrophobicContact CG-CG 4.02Å; Y506-R581 PolarHBondContact OH-O 3.21Å; Y506-S584 PolarHBondContact OH-OG 2.69Å; Y506-S585 WeakPolarHBondContact CE2-OG 3.46Å; Y506-S585 PolarHBondContact OH-N 2.98Å; Y506-S585 PolarHBondContact OH-OG 2.92Å; Y506-V627 HydrophobicContact CD2-CG1 4.04Å; Y506-V627 HydrophobicContact CE2-CG1 3.61Å; Y506-D631 PolarHBondContact N-OD1 2.97Å
507	A	98.9	Very high	98.7	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61	-39.6	174.1	0	0	0	0	0	111.9	F493 T497 I502 P503 Q504 I510 A511 T567 L570	F493-A507 HydrophobicContact CD1-CB 3.85Å; F493-A507 HydrophobicContact CE1-CB 4.09Å; T497-A507 HydrophobicContact CG2-CB 3.87Å; I502-A507 HydrophobicContact CD1-CB 4.49Å; P503-A507 PolarHBondContact O-N 2.6Å; P503-A507 VanDerWaalsContact O-N 3.08Å; Q504-A507 PolarHBondContact O-N 3.03Å; A507-I510 PolarHBondContact O-N 3Å; A507-A511 PolarHBondContact O-N 2.55Å; A507-T567 HydrophobicContact CB-CG2 4.19Å; A507-L570 HydrophobicContact CB-CD2 4.22Å
508	M	99	Very high	98.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-68.5	-36.7	175.3	-68.9	173.9	65.1	0	0	112.3	L487 F493 Q504 S505 Y506 A511 R512 W517 Y634 M638	L487-M508 HydrophobicContact CB-CE 4.38Å; L487-M508 HydrophobicContact CD2-CE 3.93Å; F493-M508 HydrophobicContact CB-CG 4.03Å; F493-M508 HydrophobicContact CB-SD 4.21Å; F493-M508 HydrophobicContact CD1-CG 3.91Å; F493-M508 HydrophobicContact CD2-CG 3.65Å; F493-M508 HydrophobicContact CD2-SD 4.34Å; F493-M508 HydrophobicContact CE1-CG 4.29Å; F493-M508 HydrophobicContact CE2-CG 4.06Å; F493-M508 HydrophobicContact CG-CG 3.58Å; F493-M508 HydrophobicContact CG-SD 4.32Å; F493-M508 HydrophobicContact CZ-CG 4.37Å; Q504-M508 HydrophobicContact CG-SD 4.05Å; Q504-M508 WeakPolarHBondContact O-CG 3.44Å; Q504-M508 PolarHBondContact O-N 2.67Å; S505-M508 PolarHBondContact O-N 3.04Å; Y506-M508 VanDerWaalsContact C-N 3.28Å; Y506-M508 PolarHBondContact O-N 3.46Å; M508-A511 PolarHBondContact O-N 3.21Å; M508-R512 WeakPolarHBondContact O-CB 3.47Å; M508-R512 PolarHBondContact O-N 3.41Å; M508-W517 HydrophobicContact CB-CH2 3.95Å; M508-W517 HydrophobicContact CB-CZ2 4.17Å; M508-W517 HydrophobicContact CE-CZ2 4.38Å; M508-W517 HydrophobicContact CG-CH2 4.09Å; M508-Y634 VanDerWaalsContact C-CE2 3.5Å; M508-Y634 HydrophobicContact CB-CD1 4.37Å; M508-Y634 HydrophobicContact CB-CD2 3.94Å; M508-Y634 HydrophobicContact CB-CE1 4.4Å; M508-Y634 HydrophobicContact CB-CE2 3.95Å; M508-Y634 HydrophobicContact CB-CG 4.18Å; M508-Y634 HydrophobicContact CE-CD1 3.91Å; M508-Y634 HydrophobicContact CE-CE1 3.86Å; M508-Y634 WeakPolarHBondContact O-CE2 3.46Å; M508-M638 HydrophobicContact CE-CE 3.9Å; M508-M638 HydrophobicContact SD-CE 3.22Å; M508-M638 WeakPolarHBondContact SD-CE 3.39Å
509	A	98.9	Very high	98.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61	-43.5	174	0	0	0	0	0	112.4	S505 Y506 Q513 V627 D631 Y634	S505-A509 WeakPolarHBondContact O-CB 3.47Å; S505-A509 PolarHBondContact O-N 2.63Å; Y506-A509 WeakPolarHBondContact O-CB 3.35Å; Y506-A509 PolarHBondContact O-N 3.27Å; A509-Q513 PolarHBondContact O-N 2.99Å; A509-Q513 VanDerWaalsContact O-N 3.13Å; A509-V627 HydrophobicContact CB-CG1 4Å; A509-D631 HydrophobicContact CB-CB 3.86Å; A509-Y634 HydrophobicContact CB-CD2 4.12Å; A509-Y634 HydrophobicContact CB-CE2 4.46Å
510	I	98.9	Very high	98.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.2	-55.8	172.9	-68.5	-75	0	0	0	110	Y506 A507 R512 Q513 E514 M531 L570 Y588 Y623 V627	Y506-I510 HydrophobicContact CD2-CG1 4.48Å; Y506-I510 HydrophobicContact CE2-CD1 4.23Å; Y506-I510 HydrophobicContact CE2-CG1 4.07Å; Y506-I510 WeakPolarHBondContact O-CG1 3.37Å; Y506-I510 PolarHBondContact O-N 2.76Å; A507-I510 PolarHBondContact O-N 3Å; I510-R512 VanDerWaalsContact C-N 3.28Å; I510-R512 PolarHBondContact O-N 3.01Å; I510-Q513 PolarHBondContact O-N 3.32Å; I510-E514 HydrophobicContact CG2-CG 4.12Å; I510-E514 VanDerWaalsContact O-CG 3.31Å; I510-E514 WeakPolarHBondContact O-CG 3.42Å; I510-E514 PolarHBondContact O-N 3.08Å; I510-M531 HydrophobicContact CB-CE 4.26Å; I510-M531 HydrophobicContact CG2-CE 3.65Å; I510-L570 HydrophobicContact CB-CD2 4.35Å; I510-L570 HydrophobicContact CD1-CD1 4.28Å; I510-L570 HydrophobicContact CG1-CD1 4.06Å; I510-L570 HydrophobicContact CG1-CD2 3.9Å; I510-Y588 HydrophobicContact CG2-CD1 4.25Å; I510-Y588 HydrophobicContact CG2-CE1 4.01Å; I510-Y588 HydrophobicContact CG2-CE2 4.36Å; I510-Y623 HydrophobicContact CD1-CE1 3.95Å; I510-Y623 WeakPolarHBondContact CD1-OH 3.5Å; I510-V627 HydrophobicContact CD1-CG1 3.79Å; I510-V627 HydrophobicContact CD1-CG2 4.02Å; I510-V627 HydrophobicContact CG1-CG1 4.11Å
511	A	98.9	Very high	98.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.8	-39.3	-178	0	0	0	0	0	112.8	F493 A507 M508 Q513 E514 S515 W517 L530 M531	F493-A511 HydrophobicContact CE1-CB 4.26Å; F493-A511 HydrophobicContact CZ-CB 3.66Å; A507-A511 PolarHBondContact O-N 2.55Å; M508-A511 PolarHBondContact O-N 3.21Å; A511-Q513 VanDerWaalsContact C-N 3.33Å; A511-Q513 PolarHBondContact O-N 3.16Å; A511-E514 PolarHBondContact O-N 3.3Å; A511-S515 PolarHBondContact O-N 3.42Å; A511-S515 PolarHBondContact O-OG 3.41Å; A511-W517 HydrophobicContact CB-CE3 4.23Å; A511-W517 HydrophobicContact CB-CH2 3.79Å; A511-W517 HydrophobicContact CB-CZ3 3.43Å; A511-W517 VanDerWaalsContact CB-CZ3 3.43Å; A511-L530 WeakPolarHBondContact CA-O 3.46Å; A511-M531 HydrophobicContact CB-CG 4.01Å
512	R	98.9	Very high	98.8	Very high	13 Å²	13	22.3 Å²	22.3	5%	0.049	11%	0.114	C	C	.	.	H	α-helix	trans	-61.4	-39.2	175.5	175.6	58.5	-174.6	79.9	0.2	113.1	R484 F485 M508 I510 A516 W517 Y630 Y634	R484-R512 PolarHBondContact O-NE 2.54Å; R484-R512 PolarHBondContact O-NH2 3.08Å; F485-R512 HydrophobicContact CD1-CG 3.98Å; F485-R512 HydrophobicContact CE1-CG 4.06Å; M508-R512 WeakPolarHBondContact O-CB 3.47Å; M508-R512 PolarHBondContact O-N 3.41Å; I510-R512 VanDerWaalsContact C-N 3.28Å; I510-R512 PolarHBondContact O-N 3.01Å; R512-A516 WeakPolarHBondContact O-CA 3.29Å; R512-A516 PolarHBondContact O-N 3.26Å; R512-W517 HydrophobicContact CB-CZ2 4.18Å; R512-Y630 HydrophobicContact CB-CD2 4.36Å; R512-Y630 HydrophobicContact CG-CD2 3.89Å; R512-Y630 HydrophobicContact CG-CE2 4.19Å; R512-Y634 HydrophobicContact CB-CE2 3.87Å; R512-Y634 WeakPolarHBondContact CB-OH 3.42Å; R512-Y634 HydrophobicContact CG-CE2 4.24Å; R512-Y634 WeakPolarHBondContact CG-OH 3.38Å
513	Q	98.7	Very high	98.7	Very high	55 Å²	55	23.6 Å²	23.6	26%	0.257	12%	0.124	S	C	.	.	H	α-helix	trans	-73.2	-39.5	177.1	172.8	56.6	33.4	0	0	111.4	A509 I510 A511 Y623 N626 V627 Y630	A509-Q513 PolarHBondContact O-N 2.99Å; A509-Q513 VanDerWaalsContact O-N 3.13Å; I510-Q513 PolarHBondContact O-N 3.32Å; A511-Q513 VanDerWaalsContact C-N 3.33Å; A511-Q513 PolarHBondContact O-N 3.16Å; Q513-Y623 HydrophobicContact CB-CE2 4.43Å; Q513-Y623 HydrophobicContact CG-CD2 3.56Å; Q513-Y623 HydrophobicContact CG-CE2 3.49Å; Q513-Y623 VanDerWaalsContact CG-CE2 3.49Å; Q513-Y623 HydrophobicContact CG-CG 4.31Å; Q513-N626 PolarHBondContact OE1-ND2 3.44Å; Q513-V627 HydrophobicContact CB-CG2 3.85Å; Q513-V627 HydrophobicContact CG-CG2 3.98Å; Q513-Y630 HydrophobicContact CB-CD2 4.19Å; Q513-Y630 HydrophobicContact CB-CE2 4.05Å
514	E	98.7	Very high	98.6	Very high	44 Å²	44	28.1 Å²	28.1	21%	0.206	15%	0.153	C	C	.	.	H	α-helix	trans	-72.4	-46.8	-175.2	-70.3	-61.9	174	0	0	113.6	I510 A511 Q532 Y588 Y623	I510-E514 HydrophobicContact CG2-CG 4.12Å; I510-E514 VanDerWaalsContact O-CG 3.31Å; I510-E514 WeakPolarHBondContact O-CG 3.42Å; I510-E514 PolarHBondContact O-N 3.08Å; A511-E514 PolarHBondContact O-N 3.3Å; E514-Q532 HydrophobicContact CB-CB 3.92Å; E514-Q532 HydrophobicContact CB-CG 3.79Å; E514-Q532 HydrophobicContact CG-CB 4.24Å; E514-Q532 VanDerWaalsContact O-CG 3.3Å; E514-Q532 WeakPolarHBondContact O-CG 3.32Å; E514-Q532 WeakPolarHBondContact OE2-CB 3.33Å; E514-Y588 HydrophobicContact CG-CE1 4.18Å; E514-Y588 WeakPolarHBondContact OE1-CD1 3.5Å; E514-Y588 VanDerWaalsContact OE1-CE1 3.29Å; E514-Y588 WeakPolarHBondContact OE1-CE1 3.14Å; E514-Y623 HydrophobicContact CG-CE2 4.5Å; E514-Y623 WeakPolarHBondContact OE1-CE2 3.38Å; E514-Y623 PolarHBondContact OE1-OH 3.04Å
515	S	98.7	Very high	98.4	Very high	10 Å²	10	31.6 Å²	31.6	7%	0.07	18%	0.177	C	C	.	.	H	α-helix	trans	-117.9	-9.9	-169.4	62.5	0	0	0	0	114.7	A511 W517 N518 L530	A511-S515 PolarHBondContact O-N 3.42Å; A511-S515 PolarHBondContact O-OG 3.41Å; S515-W517 PolarHBondContact O-N 2.91Å; S515-W517 PolarHBondContact OG-N 3.45Å; S515-W517 VanDerWaalsContact OG-N 3.12Å; S515-N518 PolarHBondContact O-N 2.87Å; S515-N518 VanDerWaalsContact O-N 3.12Å; S515-L530 WeakPolarHBondContact CB-O 3.06Å; S515-L530 WeakPolarHBondContact OG-CA 3.21Å; S515-L530 PolarHBondContact OG-O 3.36Å
516	A	98.7	Very high	98.3	Very high	27 Å²	27	32.4 Å²	32.4	22%	0.223	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	36.6	-163.7	0	0	0	0	0	111.9	D466 V469 R512 N518	D466-A516 WeakPolarHBondContact CA-O 2.95Å; V469-A516 HydrophobicContact CG1-CB 3.96Å; R512-A516 WeakPolarHBondContact O-CA 3.29Å; R512-A516 PolarHBondContact O-N 3.26Å; A516-N518 PolarHBondContact O-N 3.19Å
517	W	98.9	Very high	98.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.008	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	4.4	-178.4	-62.5	132.4	0	0	0	118.1	W465 D466 A488 Y489 F493 M508 A511 R512 S515 P519 L530 Y634	W465-W517 HydrophobicContact CB-CB 3.9Å; W465-W517 HydrophobicContact CB-CG 4.19Å; D466-W517 HydrophobicContact CB-CB 4.31Å; A488-W517 HydrophobicContact CB-CD2 3.54Å; A488-W517 HydrophobicContact CB-CE3 3.79Å; A488-W517 HydrophobicContact CB-CG 3.94Å; A488-W517 HydrophobicContact CB-CH2 4.16Å; A488-W517 HydrophobicContact CB-CZ2 3.89Å; A488-W517 HydrophobicContact CB-CZ3 4.11Å; Y489-W517 HydrophobicContact CD2-CE3 4.41Å; F493-W517 HydrophobicContact CD2-CH2 4.44Å; F493-W517 AromaticContact CE2-CH2 3.6Å; F493-W517 HydrophobicContact CE2-CH2 3.6Å; F493-W517 AromaticContact CE2-CZ3 3.49Å; F493-W517 HydrophobicContact CE2-CZ3 3.49Å; F493-W517 VanDerWaalsContact CE2-CZ3 3.49Å; F493-W517 AromaticContact CZ-CH2 3.9Å; F493-W517 HydrophobicContact CZ-CH2 3.9Å; F493-W517 AromaticContact CZ-CZ3 3.72Å; F493-W517 HydrophobicContact CZ-CZ3 3.72Å; M508-W517 HydrophobicContact CB-CH2 3.95Å; M508-W517 HydrophobicContact CB-CZ2 4.17Å; M508-W517 HydrophobicContact CE-CZ2 4.38Å; M508-W517 HydrophobicContact CG-CH2 4.09Å; A511-W517 HydrophobicContact CB-CE3 4.23Å; A511-W517 HydrophobicContact CB-CH2 3.79Å; A511-W517 HydrophobicContact CB-CZ3 3.43Å; A511-W517 VanDerWaalsContact CB-CZ3 3.43Å; R512-W517 HydrophobicContact CB-CZ2 4.18Å; S515-W517 PolarHBondContact O-N 2.91Å; S515-W517 PolarHBondContact OG-N 3.45Å; S515-W517 VanDerWaalsContact OG-N 3.12Å; W517-P519 WeakPolarHBondContact O-CD 3.48Å; W517-L530 HydrophobicContact CE3-CD2 4.21Å; W517-L530 WeakPolarHBondContact O-CD2 3.27Å; W517-Y634 VanDerWaalsContact CE2-OH 3.25Å; W517-Y634 HydrophobicContact CZ2-CE1 4.3Å; W517-Y634 HydrophobicContact CZ2-CE2 4.44Å; W517-Y634 AromaticContact CZ2-CZ 3.72Å; W517-Y634 WeakPolarHBondContact CZ2-OH 3.36Å; W517-Y634 PolarHBondContact NE1-OH 3.34Å
518	N	98.8	Very high	98.3	Very high	4 Å²	4	33 Å²	33	2%	0.021	19%	0.191	C	C	.	.			trans	-79.9	111.1	174.8	176.9	-14.5	0	0	0	110.9	N434 D466 S515 A516 K520 V521	N434-N518 PolarHBondContact OD1-ND2 3.49Å; D466-N518 HydrophobicContact CB-CB 4.01Å; S515-N518 PolarHBondContact O-N 2.87Å; S515-N518 VanDerWaalsContact O-N 3.12Å; A516-N518 PolarHBondContact O-N 3.19Å; N518-K520 PolarHBondContact O-N 2.87Å; N518-K520 WeakPolarHBondContact OD1-CA 3.37Å; N518-K520 PolarHBondContact OD1-N 2.69Å; N518-V521 HydrophobicContact CB-CB 4.19Å; N518-V521 HydrophobicContact CB-CG1 4.4Å; N518-V521 VanDerWaalsContact O-CG1 3.3Å; N518-V521 WeakPolarHBondContact O-CG1 3.34Å; N518-V521 PolarHBondContact OD1-N 3.38Å
519	P	98.8	Very high	98.3	Very high	2 Å²	2	33 Å²	33	1%	0.013	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-12.9	-177.8	32	-37	0	0	0	113.9	D433 Y489 W517 G529 L530 P559	D433-P519 VanDerWaalsContact OD1-CD 3.31Å; D433-P519 WeakPolarHBondContact OD1-CD 3.49Å; Y489-P519 WeakPolarHBondContact OH-CG 3.33Å; W517-P519 WeakPolarHBondContact O-CD 3.48Å; P519-G529 VanDerWaalsContact O-CA 3.3Å; P519-G529 WeakPolarHBondContact O-CA 3.38Å; P519-L530 HydrophobicContact CB-CD1 4.45Å; P519-L530 HydrophobicContact CB-CD2 3.79Å; P519-L530 HydrophobicContact CB-CG 3.88Å; P519-P559 HydrophobicContact CB-CG 3.94Å
520	K	98.6	Very high	98.2	Very high	43 Å²	43	33 Å²	33	19%	0.187	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-0.6	-176.3	-48.6	-54.1	175.5	-173.8	0	113.1	N431 D433 N434 N518 L557	N431-K520 WeakPolarHBondContact O-CE 3.22Å; D433-K520 HydrophobicContact CB-CB 4.29Å; D433-K520 HydrophobicContact CB-CG 3.87Å; D433-K520 VanDerWaalsContact OD2-CG 3.27Å; D433-K520 WeakPolarHBondContact OD2-CG 3.26Å; N434-K520 PolarHBondContact ND2-O 2.95Å; N518-K520 PolarHBondContact O-N 2.87Å; N518-K520 WeakPolarHBondContact OD1-CA 3.37Å; N518-K520 PolarHBondContact OD1-N 2.69Å; K520-L557 HydrophobicContact CD-CB 4.19Å; K520-L557 PolarHBondContact NZ-O 3.14Å
521	V	98.3	Very high	98.2	Very high	43 Å²	43	33 Å²	33	26%	0.261	19%	0.191	S	C	.	.			trans	-70.9	137.9	-177.4	73.1	0	0	0	0	111.6	N518 G529 Q532	N518-V521 HydrophobicContact CB-CB 4.19Å; N518-V521 HydrophobicContact CB-CG1 4.4Å; N518-V521 VanDerWaalsContact O-CG1 3.3Å; N518-V521 WeakPolarHBondContact O-CG1 3.34Å; N518-V521 PolarHBondContact OD1-N 3.38Å; V521-G529 PolarHBondContact O-N 3.47Å; V521-Q532 PolarHBondContact O-NE2 3.41Å
522	K	98.5	Very high	98.2	Very high	131 Å²	131	34.1 Å²	34.1	57%	0.57	20%	0.196	S	C	*	.	B	Isolated β-bridge	trans	-126.8	132	172.6	-65	-179.3	67.4	-178.9	0	110.1	A527 L557	K522-A527 CarbonylContact C-O 3.53Å; K522-A527 VanDerWaalsContact CA-O 3.22Å; K522-A527 WeakPolarHBondContact CA-O 3.43Å; K522-L557 HydrophobicContact CD-CD2 4.31Å; K522-L557 HydrophobicContact CG-CD2 3.99Å
523	S	97	Very high	98.2	Very high	31 Å²	31	33.7 Å²	33.7	22%	0.217	20%	0.195	C	C	.	.			trans	-75.4	163	174.8	78.3	0	0	0	0	111.7	V525 G526 A527	S523-V525 PolarHBondContact O-N 3.44Å; S523-V525 VanDerWaalsContact O-N 3.15Å; S523-V525 VanDerWaalsContact OG-CG2 3.28Å; S523-V525 WeakPolarHBondContact OG-CG2 3.28Å; S523-V525 PolarHBondContact OG-N 3.08Å; S523-G526 PolarHBondContact O-N 3.29Å; S523-G526 PolarHBondContact OG-N 3.28Å; S523-A527 PolarHBondContact N-O 2.98Å; S523-A527 VanDerWaalsContact OG-CB 3.22Å; S523-A527 WeakPolarHBondContact OG-CB 3.35Å; S523-A527 PolarHBondContact OG-N 3.12Å
524	P	96.5	Very high	98.2	Very high	143 Å²	143	34.6 Å²	34.6	93%	0.929	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.4	175.3	-26.8	36.2	0	0	0	114.5
525	V	94.9	Very high	98.2	Very high	110 Å²	110	34.6 Å²	34.6	67%	0.667	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	1.7	178.4	-60.9	0	0	0	0	113.2	S523 M534	S523-V525 PolarHBondContact O-N 3.44Å; S523-V525 VanDerWaalsContact O-N 3.15Å; S523-V525 VanDerWaalsContact OG-CG2 3.28Å; S523-V525 WeakPolarHBondContact OG-CG2 3.28Å; S523-V525 PolarHBondContact OG-N 3.08Å; V525-M534 HydrophobicContact CG2-SD 4.21Å; V525-M534 VanDerWaalsContact O-CE 3.28Å; V525-M534 WeakPolarHBondContact O-CE 3.45Å
526	G	97	Very high	98.1	Very high	23 Å²	23	36.8 Å²	36.8	24%	0.237	23%	0.228	C	C	.	.			trans	95.6	6	173.8	0	0	0	0	0	115.9	S523 S528	S523-G526 PolarHBondContact O-N 3.29Å; S523-G526 PolarHBondContact OG-N 3.28Å; G526-S528 PolarHBondContact O-OG 2.96Å
527	A	98.1	Very high	98.1	Very high	9 Å²	9	37.4 Å²	37.4	7%	0.074	23%	0.229	C	C	.	.			trans	-63.4	135.5	172	0	0	0	0	0	109.7	K522 S523 Q532 M534	K522-A527 CarbonylContact C-O 3.53Å; K522-A527 VanDerWaalsContact CA-O 3.22Å; K522-A527 WeakPolarHBondContact CA-O 3.43Å; S523-A527 PolarHBondContact N-O 2.98Å; S523-A527 VanDerWaalsContact OG-CB 3.22Å; S523-A527 WeakPolarHBondContact OG-CB 3.35Å; S523-A527 PolarHBondContact OG-N 3.12Å; A527-Q532 HydrophobicContact CB-CB 3.99Å; A527-Q532 PolarHBondContact O-NE2 2.73Å; A527-Q532 PolarHBondContact O-OE1 3.08Å; A527-M534 HydrophobicContact CB-CG 4.45Å; A527-M534 HydrophobicContact CB-SD 3.72Å
528	S	98.8	Very high	98.1	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.021	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-130.7	138.9	-163.8	-61.7	0	0	0	0	113.9	G526 Q532 I533 N562	G526-S528 PolarHBondContact O-OG 2.96Å; S528-Q532 WeakPolarHBondContact O-CA 3.49Å; S528-Q532 PolarHBondContact O-N 3.24Å; S528-I533 PolarHBondContact N-O 3.45Å; S528-I533 PolarHBondContact O-N 3.4Å; S528-N562 PolarHBondContact O-ND2 3.03Å
529	G	98.7	Very high	98.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	-161.1	168.7	0	0	0	0	0	115.6	P519 V521 M531 Q532	P519-G529 VanDerWaalsContact O-CA 3.3Å; P519-G529 WeakPolarHBondContact O-CA 3.38Å; V521-G529 PolarHBondContact O-N 3.47Å; G529-M531 VanDerWaalsContact C-N 3.32Å; G529-M531 PolarHBondContact O-N 2.9Å; G529-Q532 PolarHBondContact O-N 2.94Å; G529-Q532 VanDerWaalsContact O-N 3.09Å; G529-Q532 PolarHBondContact O-NE2 3.06Å
530	L	98.9	Very high	98	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-40	-169.4	-69.4	176.4	0	0	0	114.2	Y489 A511 S515 W517 P519 P559 N562 I563	Y489-L530 HydrophobicContact CD2-CD1 3.8Å; Y489-L530 HydrophobicContact CD2-CD2 4.39Å; Y489-L530 HydrophobicContact CE2-CD1 3.72Å; Y489-L530 HydrophobicContact CE2-CD2 3.8Å; Y489-L530 HydrophobicContact CE2-CG 4.41Å; Y489-L530 HydrophobicContact CG-CD1 4.36Å; A511-L530 WeakPolarHBondContact CA-O 3.46Å; S515-L530 WeakPolarHBondContact CB-O 3.06Å; S515-L530 WeakPolarHBondContact OG-CA 3.21Å; S515-L530 PolarHBondContact OG-O 3.36Å; W517-L530 HydrophobicContact CE3-CD2 4.21Å; W517-L530 WeakPolarHBondContact O-CD2 3.27Å; P519-L530 HydrophobicContact CB-CD1 4.45Å; P519-L530 HydrophobicContact CB-CD2 3.79Å; P519-L530 HydrophobicContact CB-CG 3.88Å; L530-P559 HydrophobicContact CD1-CB 3.91Å; L530-N562 PolarHBondContact N-OD1 3.31Å; L530-I563 HydrophobicContact CD1-CD1 3.9Å; L530-I563 HydrophobicContact CD1-CG1 4Å
531	M	98.9	Very high	98	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	17.4	-179.5	-56.4	-169.2	70.8	0	0	112.7	F493 I510 A511 G529 I533 N562 T567 L570 Y588	F493-M531 HydrophobicContact CE1-SD 4.48Å; I510-M531 HydrophobicContact CB-CE 4.26Å; I510-M531 HydrophobicContact CG2-CE 3.65Å; A511-M531 HydrophobicContact CB-CG 4.01Å; G529-M531 VanDerWaalsContact C-N 3.32Å; G529-M531 PolarHBondContact O-N 2.9Å; M531-I533 HydrophobicContact CB-CD1 4.49Å; M531-I533 HydrophobicContact CB-CG1 4.2Å; M531-I533 PolarHBondContact O-N 2.98Å; M531-N562 WeakPolarHBondContact CB-OD1 3.24Å; M531-N562 PolarHBondContact N-OD1 3.3Å; M531-T567 HydrophobicContact SD-CG2 4.32Å; M531-L570 HydrophobicContact CE-CD2 4.16Å; M531-Y588 WeakPolarHBondContact CB-OH 3.38Å; M531-Y588 HydrophobicContact CE-CE2 4.48Å; M531-Y588 PolarHBondContact O-OH 3.24Å
532	Q	98.7	Very high	98.1	Very high	23 Å²	23	42.7 Å²	42.7	11%	0.107	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.2	56.6	177.1	-74.5	-64.4	-80.9	0	0	114	E514 V521 A527 S528 G529	E514-Q532 HydrophobicContact CB-CB 3.92Å; E514-Q532 HydrophobicContact CB-CG 3.79Å; E514-Q532 HydrophobicContact CG-CB 4.24Å; E514-Q532 VanDerWaalsContact O-CG 3.3Å; E514-Q532 WeakPolarHBondContact O-CG 3.32Å; E514-Q532 WeakPolarHBondContact OE2-CB 3.33Å; V521-Q532 PolarHBondContact O-NE2 3.41Å; A527-Q532 HydrophobicContact CB-CB 3.99Å; A527-Q532 PolarHBondContact O-NE2 2.73Å; A527-Q532 PolarHBondContact O-OE1 3.08Å; S528-Q532 WeakPolarHBondContact O-CA 3.49Å; S528-Q532 PolarHBondContact O-N 3.24Å; G529-Q532 PolarHBondContact O-N 2.94Å; G529-Q532 VanDerWaalsContact O-N 3.09Å; G529-Q532 PolarHBondContact O-NE2 3.06Å
533	I	98.6	Very high	98.1	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-82	129.1	-175.6	-55	171.2	0	0	0	109.4	S528 M531 A538 L556 N562 I565	S528-I533 PolarHBondContact N-O 3.45Å; S528-I533 PolarHBondContact O-N 3.4Å; M531-I533 HydrophobicContact CB-CD1 4.49Å; M531-I533 HydrophobicContact CB-CG1 4.2Å; M531-I533 PolarHBondContact O-N 2.98Å; I533-A538 HydrophobicContact CG2-CB 3.79Å; I533-L556 HydrophobicContact CB-CD1 4.33Å; I533-L556 HydrophobicContact CD1-CD2 4.43Å; I533-L556 HydrophobicContact CG2-CD1 4.4Å; I533-N562 WeakPolarHBondContact CD1-O 3.37Å; I533-I565 HydrophobicContact CD1-CB 4.03Å; I533-I565 HydrophobicContact CD1-CG2 4Å; I533-I565 HydrophobicContact CG2-CG2 4.36Å
534	M	98.5	Very high	98.1	Very high	73 Å²	73	47.1 Å²	47.1	36%	0.36	28%	0.276	S	S	.	.			trans	-73.5	142.9	170.6	-69.1	-66.1	-65.7	0	0	110.6	V525 A527 G536 T537 A538	V525-M534 HydrophobicContact CG2-SD 4.21Å; V525-M534 VanDerWaalsContact O-CE 3.28Å; V525-M534 WeakPolarHBondContact O-CE 3.45Å; A527-M534 HydrophobicContact CB-CG 4.45Å; A527-M534 HydrophobicContact CB-SD 3.72Å; M534-G536 VanDerWaalsContact C-N 3.27Å; M534-G536 PolarHBondContact O-N 2.93Å; M534-T537 WeakPolarHBondContact O-CA 3.36Å; M534-T537 WeakPolarHBondContact O-CB 3.33Å; M534-T537 PolarHBondContact O-N 3.43Å; M534-A538 PolarHBondContact O-N 3.3Å
535	P	98.2	Very high	98.2	Very high	45 Å²	45	43.7 Å²	43.7	29%	0.292	25%	0.246	S	C	.	.	H	α-helix	trans	-53.1	-41.4	178.5	-29.5	35.8	0	0	0	114	A538 T539 P553	P535-A538 PolarHBondContact O-N 3.41Å; P535-T539 PolarHBondContact O-N 3.4Å; P535-T539 VanDerWaalsContact O-N 3.1Å; P535-T539 PolarHBondContact O-OG1 3.3Å; P535-P553 HydrophobicContact CB-CB 4.26Å; P535-P553 HydrophobicContact CB-CG 4.03Å; P535-P553 HydrophobicContact CG-CB 4.22Å; P535-P553 HydrophobicContact CG-CG 4.45Å
536	G	97.8	Very high	98.4	Very high	55 Å²	55	43.4 Å²	43.4	57%	0.567	25%	0.249	S	C	*	.	H	α-helix	trans	-63.9	-41.4	175.7	0	0	0	0	0	113.2	M534 T539 H540	M534-G536 VanDerWaalsContact C-N 3.27Å; M534-G536 PolarHBondContact O-N 2.93Å; G536-T539 PolarHBondContact O-N 3.11Å; G536-H540 WeakPolarHBondContact O-CB 3.34Å; G536-H540 PolarHBondContact O-N 3.46Å
537	T	97.8	Very high	98.4	Very high	40 Å²	40	43.2 Å²	43.2	25%	0.245	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-40.6	175.9	-55.5	0	0	0	0	111.4	M534 H540 T541 Y569	M534-T537 WeakPolarHBondContact O-CA 3.36Å; M534-T537 WeakPolarHBondContact O-CB 3.33Å; M534-T537 PolarHBondContact O-N 3.43Å; T537-H540 PolarHBondContact O-N 3.44Å; T537-T541 VanDerWaalsContact O-CB 3.28Å; T537-T541 WeakPolarHBondContact O-CB 3.37Å; T537-T541 PolarHBondContact O-N 3.17Å; T537-T541 PolarHBondContact O-OG1 3.07Å; T537-Y569 HydrophobicContact CG2-CD1 3.89Å; T537-Y569 HydrophobicContact CG2-CD2 3.78Å; T537-Y569 HydrophobicContact CG2-CE1 3.98Å; T537-Y569 HydrophobicContact CG2-CE2 3.86Å; T537-Y569 HydrophobicContact CG2-CG 3.8Å
538	A	98.6	Very high	98.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.5	-52.9	176	0	0	0	0	0	111.2	I533 M534 P535 H540 T541 V542 Y550 L556 I565	I533-A538 HydrophobicContact CG2-CB 3.79Å; M534-A538 PolarHBondContact O-N 3.3Å; P535-A538 PolarHBondContact O-N 3.41Å; A538-H540 VanDerWaalsContact C-N 3.34Å; A538-H540 PolarHBondContact O-N 2.83Å; A538-T541 PolarHBondContact O-N 2.8Å; A538-V542 WeakPolarHBondContact O-CB 3.11Å; A538-V542 VanDerWaalsContact O-CG2 3.26Å; A538-V542 WeakPolarHBondContact O-CG2 3.44Å; A538-V542 PolarHBondContact O-N 2.96Å; A538-Y550 HydrophobicContact CB-CE1 3.99Å; A538-Y550 HydrophobicContact CB-CE2 4.41Å; A538-Y550 WeakPolarHBondContact CB-OH 3.07Å; A538-L556 HydrophobicContact CB-CD1 4.01Å; A538-L556 HydrophobicContact CB-CD2 3.97Å; A538-I565 HydrophobicContact CB-CG2 4.19Å
539	T	98.5	Very high	98.3	Very high	87 Å²	87	51.4 Å²	51.4	53%	0.534	31%	0.308	S	S	.	.	H	α-helix	trans	-59.4	-43.2	178.6	-58.9	0	0	0	0	112.2	P535 G536 K543	P535-T539 PolarHBondContact O-N 3.4Å; P535-T539 VanDerWaalsContact O-N 3.1Å; P535-T539 PolarHBondContact O-OG1 3.3Å; G536-T539 PolarHBondContact O-N 3.11Å; T539-K543 WeakPolarHBondContact O-CB 3.29Å; T539-K543 PolarHBondContact O-N 2.82Å; T539-K543 VanDerWaalsContact O-N 3.12Å
540	H	98.3	Very high	98.3	Very high	98 Å²	98	53.1 Å²	53.1	45%	0.454	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-43.7	177.7	-179.2	-121	0	0	0	112.2	G536 T537 A538 K543 M544	G536-H540 WeakPolarHBondContact O-CB 3.34Å; G536-H540 PolarHBondContact O-N 3.46Å; T537-H540 PolarHBondContact O-N 3.44Å; A538-H540 VanDerWaalsContact C-N 3.34Å; A538-H540 PolarHBondContact O-N 2.83Å; H540-K543 PolarHBondContact O-N 3.15Å; H540-M544 WeakPolarHBondContact CE1-CE 3.18Å; H540-M544 WeakPolarHBondContact O-CB 3.28Å; H540-M544 PolarHBondContact O-N 2.94Å
541	T	98.6	Very high	98.2	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.006	35%	0.35	C	S	.	.	H	α-helix	trans	-67.1	-45.9	-179.7	-56.3	0	0	0	0	111.4	T537 A538 K543 M544 F545 I565 Y569	T537-T541 VanDerWaalsContact O-CB 3.28Å; T537-T541 WeakPolarHBondContact O-CB 3.37Å; T537-T541 PolarHBondContact O-N 3.17Å; T537-T541 PolarHBondContact O-OG1 3.07Å; A538-T541 PolarHBondContact O-N 2.8Å; T541-K543 VanDerWaalsContact C-N 3.28Å; T541-K543 PolarHBondContact O-N 3.29Å; T541-M544 PolarHBondContact O-N 3.37Å; T541-M544 VanDerWaalsContact O-N 3.14Å; T541-F545 HydrophobicContact CG2-CD2 4.05Å; T541-F545 HydrophobicContact CG2-CE2 4.48Å; T541-F545 PolarHBondContact O-N 3.06Å; T541-I565 HydrophobicContact CG2-CG2 4.23Å; T541-Y569 WeakPolarHBondContact OG1-CD2 3.49Å
542	V	98.6	Very high	98.2	Very high	20 Å²	20	60.8 Å²	60.8	12%	0.121	37%	0.368	C	S	.	.	H	α-helix	trans	-56.9	-44.2	177.2	162.8	0	0	0	0	111	A538 S546 I547 Y550 I565	A538-V542 WeakPolarHBondContact O-CB 3.11Å; A538-V542 VanDerWaalsContact O-CG2 3.26Å; A538-V542 WeakPolarHBondContact O-CG2 3.44Å; A538-V542 PolarHBondContact O-N 2.96Å; V542-S546 WeakPolarHBondContact O-CA 3.44Å; V542-S546 PolarHBondContact O-N 2.94Å; V542-I547 HydrophobicContact CB-CB 4.45Å; V542-I547 HydrophobicContact CG1-CB 4.37Å; V542-I547 WeakPolarHBondContact CG1-O 3.49Å; V542-I547 HydrophobicContact CG2-CB 4.2Å; V542-I547 PolarHBondContact O-N 3.04Å; V542-Y550 HydrophobicContact CB-CD1 4.32Å; V542-Y550 HydrophobicContact CG1-CD1 4.36Å; V542-Y550 HydrophobicContact CG2-CD1 3.73Å; V542-Y550 HydrophobicContact CG2-CG 3.87Å; V542-I565 HydrophobicContact CG2-CD1 3.84Å; V542-I565 HydrophobicContact CG2-CG1 4.02Å
543	K	98.5	Very high	98.1	Very high	175 Å²	175	62.6 Å²	62.6	76%	0.761	38%	0.382	S	S	*	.	H	α-helix	trans	-64.9	-44.4	175.5	-177	178.8	178.6	179.8	0	112.2	T539 H540 T541 F545	T539-K543 WeakPolarHBondContact O-CB 3.29Å; T539-K543 PolarHBondContact O-N 2.82Å; T539-K543 VanDerWaalsContact O-N 3.12Å; H540-K543 PolarHBondContact O-N 3.15Å; T541-K543 VanDerWaalsContact C-N 3.28Å; T541-K543 PolarHBondContact O-N 3.29Å; K543-F545 VanDerWaalsContact C-N 3.35Å; K543-F545 PolarHBondContact O-N 3.11Å
544	M	98.1	Very high	98.1	Very high	79 Å²	79	64.7 Å²	64.7	39%	0.389	40%	0.404	S	S	.	.	H	α-helix	trans	-65.4	-37.1	-177	-177.1	-176.9	-64	0	0	112.8	H540 T541 Y572	H540-M544 WeakPolarHBondContact CE1-CE 3.18Å; H540-M544 WeakPolarHBondContact O-CB 3.28Å; H540-M544 PolarHBondContact O-N 2.94Å; T541-M544 PolarHBondContact O-N 3.37Å; T541-M544 VanDerWaalsContact O-N 3.14Å; M544-Y572 HydrophobicContact CE-CD2 4.12Å; M544-Y572 HydrophobicContact CE-CE1 4.42Å; M544-Y572 HydrophobicContact CE-CE2 3.81Å; M544-Y572 HydrophobicContact SD-CD1 4.49Å; M544-Y572 HydrophobicContact SD-CD2 3.38Å; M544-Y572 WeakPolarHBondContact SD-CD2 3.36Å; M544-Y572 HydrophobicContact SD-CE2 3.66Å; M544-Y572 HydrophobicContact SD-CG 3.85Å
545	F	98.3	Very high	98.1	Very high	71 Å²	71	63.9 Å²	63.9	31%	0.311	40%	0.399	S	S	.	.	H	α-helix	trans	-102.9	5.8	-177.3	-74.9	-95.9	0	0	0	113.6	T541 K543 I547 S568	T541-F545 HydrophobicContact CG2-CD2 4.05Å; T541-F545 HydrophobicContact CG2-CE2 4.48Å; T541-F545 PolarHBondContact O-N 3.06Å; K543-F545 VanDerWaalsContact C-N 3.35Å; K543-F545 PolarHBondContact O-N 3.11Å; F545-I547 HydrophobicContact CB-CD1 4.09Å; F545-I547 HydrophobicContact CB-CG1 3.76Å; F545-I547 PolarHBondContact O-N 3.49Å; F545-S568 WeakPolarHBondContact CZ-O 3.3Å
546	S	98.3	Very high	98.1	Very high	104 Å²	104	61.7 Å²	61.7	73%	0.727	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	42.3	-177.1	-58.8	0	0	0	0	113.3	V542 P548	V542-S546 WeakPolarHBondContact O-CA 3.44Å; V542-S546 PolarHBondContact O-N 2.94Å; S546-P548 WeakPolarHBondContact O-CD 3.37Å
547	I	98.1	Very high	98.2	Very high	20 Å²	20	61.4 Å²	61.4	10%	0.103	37%	0.37	C	S	.	.			trans	-74.2	122.7	-177.8	-56.7	177.6	0	0	0	109.2	V542 F545 I565	V542-I547 HydrophobicContact CB-CB 4.45Å; V542-I547 HydrophobicContact CG1-CB 4.37Å; V542-I547 WeakPolarHBondContact CG1-O 3.49Å; V542-I547 HydrophobicContact CG2-CB 4.2Å; V542-I547 PolarHBondContact O-N 3.04Å; F545-I547 HydrophobicContact CB-CD1 4.09Å; F545-I547 HydrophobicContact CB-CG1 3.76Å; F545-I547 PolarHBondContact O-N 3.49Å; I547-I565 HydrophobicContact CD1-CG1 4.43Å
548	P	97.4	Very high	98.2	Very high	116 Å²	116	62.8 Å²	62.8	75%	0.753	38%	0.376	S	S	*	.	S	Bend	trans	-78.5	163.6	-179	32.3	-35.6	0	0	0	112.6	S546 Y550	S546-P548 WeakPolarHBondContact O-CD 3.37Å; P548-Y550 VanDerWaalsContact C-N 3.31Å; P548-Y550 PolarHBondContact O-N 3.16Å
549	G	97.6	Very high	98.2	Very high	68 Å²	68	63.7 Å²	63.7	70%	0.701	38%	0.383	S	S	*	.	S	Bend	trans	79.3	-3.6	165.1	0	0	0	0	0	117.1	Q555	G549-Q555 PolarHBondContact O-NE2 2.89Å
550	Y	98.4	Very high	98.3	Very high	35 Å²	35	62.9 Å²	62.9	14%	0.137	37%	0.373	C	S	.	.			trans	-88.5	120	173.9	-177.8	-102.1	0	0	0	111.4	A538 V542 P548 S552 P553 Q555 L556 T561 I565	A538-Y550 HydrophobicContact CB-CE1 3.99Å; A538-Y550 HydrophobicContact CB-CE2 4.41Å; A538-Y550 WeakPolarHBondContact CB-OH 3.07Å; V542-Y550 HydrophobicContact CB-CD1 4.32Å; V542-Y550 HydrophobicContact CG1-CD1 4.36Å; V542-Y550 HydrophobicContact CG2-CD1 3.73Å; V542-Y550 HydrophobicContact CG2-CG 3.87Å; P548-Y550 VanDerWaalsContact C-N 3.31Å; P548-Y550 PolarHBondContact O-N 3.16Å; Y550-S552 VanDerWaalsContact CE2-O 3.3Å; Y550-S552 WeakPolarHBondContact CE2-O 3.48Å; Y550-P553 WeakPolarHBondContact OH-CA 3.37Å; Y550-Q555 HydrophobicContact CD2-CB 4.39Å; Y550-Q555 HydrophobicContact CE2-CB 4.46Å; Y550-L556 HydrophobicContact CE2-CD2 3.75Å; Y550-L556 HydrophobicContact CE2-CG 4.01Å; Y550-T561 HydrophobicContact CD2-CG2 4.33Å; Y550-I565 HydrophobicContact CD2-CD1 3.56Å; Y550-I565 HydrophobicContact CE2-CD1 3.9Å; Y550-I565 HydrophobicContact CG-CD1 3.95Å
551	S	97.5	Very high	98.3	Very high	108 Å²	108	59.8 Å²	59.8	76%	0.755	36%	0.36	S	S	*	.			trans	-133	-18.3	-178.4	63.5	0	0	0	0	113.9	Q555	S551-Q555 PolarHBondContact OG-OE1 3.46Å
552	S	98	Very high	98.3	Very high	55 Å²	55	59.8 Å²	59.8	39%	0.385	36%	0.36	S	S	.	.			trans	-144.3	140	-176.7	176.9	0	0	0	0	113.1	Y550 G554 Q555	Y550-S552 VanDerWaalsContact CE2-O 3.3Å; Y550-S552 WeakPolarHBondContact CE2-O 3.48Å; S552-G554 PolarHBondContact O-N 3.37Å; S552-G554 VanDerWaalsContact O-N 3.08Å; S552-G554 PolarHBondContact OG-N 3.29Å; S552-Q555 WeakPolarHBondContact O-CB 3.33Å; S552-Q555 PolarHBondContact O-N 3.23Å; S552-Q555 PolarHBondContact O-OE1 3.44Å
553	P	97.9	Very high	98.3	Very high	60 Å²	60	58.8 Å²	58.8	39%	0.39	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-57.2	-21.8	172.4	-24.9	34.9	0	0	0	114.7	P535 Y550 Q555 L556	P535-P553 HydrophobicContact CB-CB 4.26Å; P535-P553 HydrophobicContact CB-CG 4.03Å; P535-P553 HydrophobicContact CG-CB 4.22Å; P535-P553 HydrophobicContact CG-CG 4.45Å; Y550-P553 WeakPolarHBondContact OH-CA 3.37Å; P553-Q555 PolarHBondContact O-N 2.82Å; P553-L556 VanDerWaalsContact O-CB 3.31Å; P553-L556 WeakPolarHBondContact O-CB 3.42Å; P553-L556 WeakPolarHBondContact O-CG 3.2Å; P553-L556 PolarHBondContact O-N 3.16Å; P553-L556 VanDerWaalsContact O-N 3.08Å
554	G	97.6	Very high	98.3	Very high	48 Å²	48	52.2 Å²	52.2	50%	0.495	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-60.9	-28.9	175	0	0	0	0	0	113.2	S552 L556 L557	S552-G554 PolarHBondContact O-N 3.37Å; S552-G554 VanDerWaalsContact O-N 3.08Å; S552-G554 PolarHBondContact OG-N 3.29Å; G554-L556 PolarHBondContact O-N 3.19Å; G554-L557 PolarHBondContact O-N 2.89Å
555	Q	98.7	Very high	98.4	Very high	56 Å²	56	48.5 Å²	48.5	26%	0.262	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-68	-16.6	176.6	-61	171.7	-92.5	0	0	112.4	G549 Y550 S551 S552 P553 L557 D558 T561	G549-Q555 PolarHBondContact O-NE2 2.89Å; Y550-Q555 HydrophobicContact CD2-CB 4.39Å; Y550-Q555 HydrophobicContact CE2-CB 4.46Å; S551-Q555 PolarHBondContact OG-OE1 3.46Å; S552-Q555 WeakPolarHBondContact O-CB 3.33Å; S552-Q555 PolarHBondContact O-N 3.23Å; S552-Q555 PolarHBondContact O-OE1 3.44Å; P553-Q555 PolarHBondContact O-N 2.82Å; Q555-L557 PolarHBondContact O-N 3.33Å; Q555-L557 VanDerWaalsContact O-N 3.14Å; Q555-D558 WeakPolarHBondContact O-CB 3.43Å; Q555-D558 PolarHBondContact O-N 3.37Å; Q555-T561 HydrophobicContact CB-CG2 4.04Å; Q555-T561 WeakPolarHBondContact O-CB 3.31Å
556	L	98.8	Very high	98.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-68	-9.6	176.1	-60.1	177.3	0	0	0	113.2	I533 A538 Y550 P553 G554 N562 I565	I533-L556 HydrophobicContact CB-CD1 4.33Å; I533-L556 HydrophobicContact CD1-CD2 4.43Å; I533-L556 HydrophobicContact CG2-CD1 4.4Å; A538-L556 HydrophobicContact CB-CD1 4.01Å; A538-L556 HydrophobicContact CB-CD2 3.97Å; Y550-L556 HydrophobicContact CE2-CD2 3.75Å; Y550-L556 HydrophobicContact CE2-CG 4.01Å; P553-L556 VanDerWaalsContact O-CB 3.31Å; P553-L556 WeakPolarHBondContact O-CB 3.42Å; P553-L556 WeakPolarHBondContact O-CG 3.2Å; P553-L556 PolarHBondContact O-N 3.16Å; P553-L556 VanDerWaalsContact O-N 3.08Å; G554-L556 PolarHBondContact O-N 3.19Å; L556-N562 WeakPolarHBondContact O-CB 3.45Å; L556-N562 PolarHBondContact O-ND2 3.1Å; L556-I565 HydrophobicContact CD2-CD1 3.84Å
557	L	98.7	Very high	98.4	Very high	48 Å²	48	40.1 Å²	40.1	25%	0.251	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-88.6	-6.5	172.8	-53.9	-177.9	0	0	0	112.8	K520 K522 G554 Q555	K520-L557 HydrophobicContact CD-CB 4.19Å; K520-L557 PolarHBondContact NZ-O 3.14Å; K522-L557 HydrophobicContact CD-CD2 4.31Å; K522-L557 HydrophobicContact CG-CD2 3.99Å; G554-L557 PolarHBondContact O-N 2.89Å; Q555-L557 PolarHBondContact O-N 3.33Å; Q555-L557 VanDerWaalsContact O-N 3.14Å
558	D	98.7	Very high	98.5	Very high	69 Å²	69	39.4 Å²	39.4	37%	0.369	26%	0.257	S	S	.	.	S	Bend	trans	-80	125	167.7	171.5	67.4	0	0	0	109.6	Q555 E560 T561 N562	Q555-D558 WeakPolarHBondContact O-CB 3.43Å; Q555-D558 PolarHBondContact O-N 3.37Å; D558-E560 PolarHBondContact O-N 2.83Å; D558-E560 PolarHBondContact OD2-N 3.26Å; D558-T561 PolarHBondContact O-N 3.19Å; D558-T561 VanDerWaalsContact OD2-CB 3.32Å; D558-T561 WeakPolarHBondContact OD2-CB 3.4Å; D558-T561 PolarHBondContact OD2-N 3.03Å; D558-T561 PolarHBondContact OD2-OG1 3.46Å; D558-N562 WeakPolarHBondContact O-CB 3.33Å; D558-N562 PolarHBondContact O-N 2.97Å
559	P	98.8	Very high	98.5	Very high	20 Å²	20	35.2 Å²	35.2	13%	0.13	23%	0.226	C	C	.	.	H	α-helix	trans	-55.9	-45	-177	-29	36.2	0	0	0	114.5	Y489 L492 P519 L530 N562 I563	Y489-P559 HydrophobicContact CD1-CB 4.07Å; Y489-P559 HydrophobicContact CE1-CB 3.66Å; Y489-P559 HydrophobicContact CE1-CG 3.85Å; L492-P559 HydrophobicContact CD1-CB 4.39Å; P519-P559 HydrophobicContact CB-CG 3.94Å; L530-P559 HydrophobicContact CD1-CB 3.91Å; P559-N562 PolarHBondContact O-N 3.21Å; P559-I563 WeakPolarHBondContact O-CB 3.27Å; P559-I563 VanDerWaalsContact O-CG1 3.25Å; P559-I563 WeakPolarHBondContact O-CG1 3.29Å; P559-I563 PolarHBondContact O-N 3.26Å
560	E	98.9	Very high	98.6	Very high	70 Å²	70	32 Å²	32	33%	0.327	19%	0.192	S	C	.	.	H	α-helix	trans	-67.8	-46.2	-177.3	175.5	154.6	-147	0	0	111.2	L492 R495 Y496 D558 N562 I563 N564	L492-E560 HydrophobicContact CD1-CB 4.22Å; L492-E560 HydrophobicContact CD2-CB 4.12Å; L492-E560 HydrophobicContact CD2-CG 4.1Å; R495-E560 IonicContact CZ-OE1 3.59Å; R495-E560 IonicContact NH1-OE1 2.73Å; R495-E560 PolarHBondContact NH1-OE1 2.69Å; R495-E560 IonicContact NH1-OE2 3.47Å; Y496-E560 HydrophobicContact CE2-CG 3.72Å; Y496-E560 WeakPolarHBondContact OH-CG 3.32Å; Y496-E560 PolarHBondContact OH-OE1 2.95Å; D558-E560 PolarHBondContact O-N 2.83Å; D558-E560 PolarHBondContact OD2-N 3.26Å; E560-N562 VanDerWaalsContact C-N 3.32Å; E560-N562 PolarHBondContact O-N 2.96Å; E560-I563 PolarHBondContact O-N 3Å; E560-N564 VanDerWaalsContact O-CB 3.27Å; E560-N564 WeakPolarHBondContact O-CB 3.44Å; E560-N564 PolarHBondContact O-N 2.82Å
561	T	98.8	Very high	98.6	Very high	32 Å²	32	30.8 Å²	30.8	20%	0.196	19%	0.188	C	C	.	.	H	α-helix	trans	-59.3	-43.7	175.3	-56.6	0	0	0	0	111.5	Y550 Q555 D558 N564 I565	Y550-T561 HydrophobicContact CD2-CG2 4.33Å; Q555-T561 HydrophobicContact CB-CG2 4.04Å; Q555-T561 WeakPolarHBondContact O-CB 3.31Å; D558-T561 PolarHBondContact O-N 3.19Å; D558-T561 VanDerWaalsContact OD2-CB 3.32Å; D558-T561 WeakPolarHBondContact OD2-CB 3.4Å; D558-T561 PolarHBondContact OD2-N 3.03Å; D558-T561 PolarHBondContact OD2-OG1 3.46Å; T561-N564 PolarHBondContact O-N 2.74Å; T561-I565 HydrophobicContact CG2-CD1 3.97Å; T561-I565 WeakPolarHBondContact O-CG1 3.3Å; T561-I565 PolarHBondContact O-N 2.73Å; T561-I565 VanDerWaalsContact O-N 3.12Å
562	N	98.9	Very high	98.7	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-64.6	-48.5	179.2	-164	-83.6	0	0	0	111.6	S528 L530 M531 I533 L556 D558 P559 E560 N564 I565 G566	S528-N562 PolarHBondContact O-ND2 3.03Å; L530-N562 PolarHBondContact N-OD1 3.31Å; M531-N562 WeakPolarHBondContact CB-OD1 3.24Å; M531-N562 PolarHBondContact N-OD1 3.3Å; I533-N562 WeakPolarHBondContact CD1-O 3.37Å; L556-N562 WeakPolarHBondContact O-CB 3.45Å; L556-N562 PolarHBondContact O-ND2 3.1Å; D558-N562 WeakPolarHBondContact O-CB 3.33Å; D558-N562 PolarHBondContact O-N 2.97Å; P559-N562 PolarHBondContact O-N 3.21Å; E560-N562 VanDerWaalsContact C-N 3.32Å; E560-N562 PolarHBondContact O-N 2.96Å; N562-N564 VanDerWaalsContact C-N 3.34Å; N562-N564 PolarHBondContact O-N 2.74Å; N562-I565 PolarHBondContact O-N 3.43Å; N562-G566 WeakPolarHBondContact O-CA 3.44Å; N562-G566 PolarHBondContact O-N 2.7Å
563	I	98.9	Very high	98.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.8	-41.1	178.4	-69.6	168	0	0	0	110.7	Y489 L492 F493 Y496 L530 P559 E560 T567	Y489-I563 HydrophobicContact CG-CD1 4.3Å; L492-I563 HydrophobicContact CB-CD1 3.81Å; L492-I563 HydrophobicContact CD1-CD1 4.07Å; F493-I563 HydrophobicContact CD1-CG2 4.1Å; F493-I563 HydrophobicContact CD2-CD1 4.04Å; F493-I563 HydrophobicContact CE1-CD1 4.4Å; F493-I563 HydrophobicContact CE1-CG1 4.1Å; F493-I563 HydrophobicContact CE1-CG2 4.17Å; F493-I563 HydrophobicContact CE2-CD1 3.68Å; F493-I563 HydrophobicContact CE2-CG1 4.16Å; F493-I563 HydrophobicContact CZ-CD1 3.87Å; F493-I563 HydrophobicContact CZ-CG1 3.81Å; Y496-I563 HydrophobicContact CD2-CG2 3.92Å; Y496-I563 HydrophobicContact CG-CG2 4.11Å; L530-I563 HydrophobicContact CD1-CD1 3.9Å; L530-I563 HydrophobicContact CD1-CG1 4Å; P559-I563 WeakPolarHBondContact O-CB 3.27Å; P559-I563 VanDerWaalsContact O-CG1 3.25Å; P559-I563 WeakPolarHBondContact O-CG1 3.29Å; P559-I563 PolarHBondContact O-N 3.26Å; E560-I563 PolarHBondContact O-N 3Å; I563-T567 HydrophobicContact CG2-CG2 3.95Å; I563-T567 VanDerWaalsContact O-CB 3.27Å; I563-T567 WeakPolarHBondContact O-CB 3.49Å; I563-T567 WeakPolarHBondContact O-CG2 3.3Å; I563-T567 PolarHBondContact O-N 3.4Å; I563-T567 PolarHBondContact O-OG1 3.43Å
564	N	98.9	Very high	98.8	Very high	36 Å²	36	23.8 Å²	23.8	19%	0.193	13%	0.129	C	C	.	.	H	α-helix	trans	-58.9	-54.3	178.1	-177.2	12.3	0	0	0	111.9	Y496 E560 T561 N562 T567 S568	Y496-N564 HydrophobicContact CD1-CB 3.82Å; Y496-N564 HydrophobicContact CE1-CB 3.43Å; Y496-N564 VanDerWaalsContact CE1-CB 3.43Å; Y496-N564 WeakPolarHBondContact CE1-OD1 3.27Å; Y496-N564 HydrophobicContact CE2-CB 4.46Å; Y496-N564 HydrophobicContact CG-CB 4.47Å; E560-N564 VanDerWaalsContact O-CB 3.27Å; E560-N564 WeakPolarHBondContact O-CB 3.44Å; E560-N564 PolarHBondContact O-N 2.82Å; T561-N564 PolarHBondContact O-N 2.74Å; N562-N564 VanDerWaalsContact C-N 3.34Å; N562-N564 PolarHBondContact O-N 2.74Å; N564-T567 PolarHBondContact O-OG1 2.89Å; N564-S568 WeakPolarHBondContact O-CB 3.36Å; N564-S568 PolarHBondContact O-N 3.41Å; N564-S568 PolarHBondContact O-OG 2.78Å
565	I	98.9	Very high	98.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-68.5	-44.4	-178.8	-63	173.4	0	0	0	110.3	I533 A538 T541 V542 I547 Y550 L556 T561 N562 S568 Y569	I533-I565 HydrophobicContact CD1-CB 4.03Å; I533-I565 HydrophobicContact CD1-CG2 4Å; I533-I565 HydrophobicContact CG2-CG2 4.36Å; A538-I565 HydrophobicContact CB-CG2 4.19Å; T541-I565 HydrophobicContact CG2-CG2 4.23Å; V542-I565 HydrophobicContact CG2-CD1 3.84Å; V542-I565 HydrophobicContact CG2-CG1 4.02Å; I547-I565 HydrophobicContact CD1-CG1 4.43Å; Y550-I565 HydrophobicContact CD2-CD1 3.56Å; Y550-I565 HydrophobicContact CE2-CD1 3.9Å; Y550-I565 HydrophobicContact CG-CD1 3.95Å; L556-I565 HydrophobicContact CD2-CD1 3.84Å; T561-I565 HydrophobicContact CG2-CD1 3.97Å; T561-I565 WeakPolarHBondContact O-CG1 3.3Å; T561-I565 PolarHBondContact O-N 2.73Å; T561-I565 VanDerWaalsContact O-N 3.12Å; N562-I565 PolarHBondContact O-N 3.43Å; I565-S568 PolarHBondContact O-N 3.19Å; I565-Y569 PolarHBondContact O-N 3.49Å
566	G	98.9	Very high	98.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.6	-45.5	-177	0	0	0	0	0	113	N562 S568 Y569 L570	N562-G566 WeakPolarHBondContact O-CA 3.44Å; N562-G566 PolarHBondContact O-N 2.7Å; G566-S568 VanDerWaalsContact C-N 3.28Å; G566-S568 PolarHBondContact O-N 3.27Å; G566-Y569 PolarHBondContact O-N 2.94Å; G566-L570 VanDerWaalsContact O-CB 3.32Å; G566-L570 WeakPolarHBondContact O-CB 3.5Å; G566-L570 PolarHBondContact O-N 3.34Å
567	T	98.9	Very high	98.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.5	-31.3	175.3	58	0	0	0	0	112.3	T497 K500 I502 A507 M531 I563 N564 Q571	T497-T567 HydrophobicContact CG2-CG2 4.17Å; K500-T567 PolarHBondContact NZ-OG1 2.92Å; I502-T567 HydrophobicContact CD1-CG2 4.4Å; I502-T567 WeakPolarHBondContact CD1-O 3.46Å; A507-T567 HydrophobicContact CB-CG2 4.19Å; M531-T567 HydrophobicContact SD-CG2 4.32Å; I563-T567 HydrophobicContact CG2-CG2 3.95Å; I563-T567 VanDerWaalsContact O-CB 3.27Å; I563-T567 WeakPolarHBondContact O-CB 3.49Å; I563-T567 WeakPolarHBondContact O-CG2 3.3Å; I563-T567 PolarHBondContact O-N 3.4Å; I563-T567 PolarHBondContact O-OG1 3.43Å; N564-T567 PolarHBondContact O-OG1 2.89Å; T567-Q571 WeakPolarHBondContact O-CB 3.37Å; T567-Q571 PolarHBondContact O-N 2.94Å
568	S	98.9	Very high	98.7	Very high	5 Å²	5	27.9 Å²	27.9	4%	0.035	15%	0.149	C	C	.	.	H	α-helix	trans	-68.9	-44.2	175.2	-57.7	0	0	0	0	111.8	F545 N564 I565 G566 Q571 Y572	F545-S568 WeakPolarHBondContact CZ-O 3.3Å; N564-S568 WeakPolarHBondContact O-CB 3.36Å; N564-S568 PolarHBondContact O-N 3.41Å; N564-S568 PolarHBondContact O-OG 2.78Å; I565-S568 PolarHBondContact O-N 3.19Å; G566-S568 VanDerWaalsContact C-N 3.28Å; G566-S568 PolarHBondContact O-N 3.27Å; S568-Q571 PolarHBondContact O-N 3.48Å; S568-Y572 PolarHBondContact O-N 3.42Å
569	Y	98.8	Very high	98.7	Very high	27 Å²	27	27.2 Å²	27.2	11%	0.106	15%	0.145	C	C	.	.	H	α-helix	trans	-66.1	-40.5	173.4	-175.4	-111.5	0	0	0	112.3	T537 T541 I565 G566 Y572 V573 Y588	T537-Y569 HydrophobicContact CG2-CD1 3.89Å; T537-Y569 HydrophobicContact CG2-CD2 3.78Å; T537-Y569 HydrophobicContact CG2-CE1 3.98Å; T537-Y569 HydrophobicContact CG2-CE2 3.86Å; T537-Y569 HydrophobicContact CG2-CG 3.8Å; T541-Y569 WeakPolarHBondContact OG1-CD2 3.49Å; I565-Y569 PolarHBondContact O-N 3.49Å; G566-Y569 PolarHBondContact O-N 2.94Å; Y569-Y572 HydrophobicContact CD2-CD1 4.02Å; Y569-Y572 AromaticContact CE2-CD1 3.88Å; Y569-Y572 HydrophobicContact CE2-CD1 3.88Å; Y569-Y572 HydrophobicContact CE2-CE1 4.25Å; Y569-Y572 WeakPolarHBondContact O-CB 3.39Å; Y569-Y572 PolarHBondContact O-N 3.41Å; Y569-V573 HydrophobicContact CE1-CG1 4.27Å; Y569-V573 HydrophobicContact CE2-CG1 4.26Å; Y569-V573 PolarHBondContact O-N 3.47Å; Y569-Y588 AromaticContact CD1-CD2 3.84Å; Y569-Y588 HydrophobicContact CD1-CD2 3.84Å; Y569-Y588 AromaticContact CD1-CE2 3.7Å; Y569-Y588 HydrophobicContact CD1-CE2 3.7Å; Y569-Y588 HydrophobicContact CE1-CD2 4.09Å; Y569-Y588 HydrophobicContact CE1-CE2 4.32Å
570	L	98.9	Very high	98.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.2	-44.3	176.8	-176.2	61.5	0	0	0	111.4	I502 Y506 A507 I510 M531 G566 Y572 V573 Y574 Y588	I502-L570 HydrophobicContact CD1-CB 4.17Å; I502-L570 HydrophobicContact CD1-CD2 4Å; I502-L570 HydrophobicContact CD1-CG 4.16Å; I502-L570 HydrophobicContact CG2-CG 4.22Å; Y506-L570 HydrophobicContact CD1-CD2 4.22Å; Y506-L570 HydrophobicContact CE1-CD1 3.88Å; Y506-L570 HydrophobicContact CE1-CD2 4.16Å; Y506-L570 HydrophobicContact CE1-CG 4.16Å; A507-L570 HydrophobicContact CB-CD2 4.22Å; I510-L570 HydrophobicContact CB-CD2 4.35Å; I510-L570 HydrophobicContact CD1-CD1 4.28Å; I510-L570 HydrophobicContact CG1-CD1 4.06Å; I510-L570 HydrophobicContact CG1-CD2 3.9Å; M531-L570 HydrophobicContact CE-CD2 4.16Å; G566-L570 VanDerWaalsContact O-CB 3.32Å; G566-L570 WeakPolarHBondContact O-CB 3.5Å; G566-L570 PolarHBondContact O-N 3.34Å; L570-Y572 VanDerWaalsContact C-N 3.32Å; L570-Y572 PolarHBondContact O-N 3.05Å; L570-V573 HydrophobicContact CD1-CG2 4.27Å; L570-V573 VanDerWaalsContact O-CG2 3.26Å; L570-V573 WeakPolarHBondContact O-CG2 3.25Å; L570-V573 PolarHBondContact O-N 3.2Å; L570-Y574 VanDerWaalsContact O-CB 3.25Å; L570-Y574 WeakPolarHBondContact O-CB 3.11Å; L570-Y574 PolarHBondContact O-N 2.92Å; L570-Y588 HydrophobicContact CB-CD2 4.32Å; L570-Y588 HydrophobicContact CB-CE2 4.24Å; L570-Y588 HydrophobicContact CD1-CD2 3.8Å; L570-Y588 HydrophobicContact CD1-CE2 4.42Å
571	Q	98.8	Very high	98.7	Very high	11 Å²	11	24 Å²	24	5%	0.051	13%	0.127	C	C	.	.	H	α-helix	trans	-60.2	-42.6	172.9	171.4	62.5	38	0	0	111.5	K500 E501 I502 T567 S568 V573 Y574 Q575	K500-Q571 HydrophobicContact CB-CB 4.43Å; K500-Q571 HydrophobicContact CB-CG 4.29Å; K500-Q571 HydrophobicContact CD-CB 3.85Å; K500-Q571 HydrophobicContact CD-CG 4.33Å; K500-Q571 HydrophobicContact CG-CB 4.37Å; K500-Q571 HydrophobicContact CG-CG 4.33Å; E501-Q571 PolarHBondContact OE2-NE2 3Å; I502-Q571 HydrophobicContact CD1-CB 4.28Å; I502-Q571 HydrophobicContact CG1-CB 4.29Å; I502-Q571 HydrophobicContact CG2-CB 4.43Å; I502-Q571 VanDerWaalsContact N-OE1 3.12Å; T567-Q571 WeakPolarHBondContact O-CB 3.37Å; T567-Q571 PolarHBondContact O-N 2.94Å; S568-Q571 PolarHBondContact O-N 3.48Å; Q571-V573 PolarHBondContact O-N 3.37Å; Q571-Y574 WeakPolarHBondContact O-CB 3.48Å; Q571-Y574 PolarHBondContact O-N 2.89Å; Q571-Y574 VanDerWaalsContact O-N 3.15Å; Q571-Q575 VanDerWaalsContact O-CG 3.29Å; Q571-Q575 WeakPolarHBondContact O-CG 3.25Å; Q571-Q575 PolarHBondContact O-N 3.49Å
572	Y	98.7	Very high	98.7	Very high	53 Å²	53	22.4 Å²	22.4	21%	0.208	12%	0.118	C	C	.	.	H	α-helix	trans	-56	-48	176.7	163.5	-106.4	0	0	0	112.6	M544 S568 Y569 L570 Y574 Q575 Q576	M544-Y572 HydrophobicContact CE-CD2 4.12Å; M544-Y572 HydrophobicContact CE-CE1 4.42Å; M544-Y572 HydrophobicContact CE-CE2 3.81Å; M544-Y572 HydrophobicContact SD-CD1 4.49Å; M544-Y572 HydrophobicContact SD-CD2 3.38Å; M544-Y572 WeakPolarHBondContact SD-CD2 3.36Å; M544-Y572 HydrophobicContact SD-CE2 3.66Å; M544-Y572 HydrophobicContact SD-CG 3.85Å; S568-Y572 PolarHBondContact O-N 3.42Å; Y569-Y572 HydrophobicContact CD2-CD1 4.02Å; Y569-Y572 AromaticContact CE2-CD1 3.88Å; Y569-Y572 HydrophobicContact CE2-CD1 3.88Å; Y569-Y572 HydrophobicContact CE2-CE1 4.25Å; Y569-Y572 WeakPolarHBondContact O-CB 3.39Å; Y569-Y572 PolarHBondContact O-N 3.41Å; L570-Y572 VanDerWaalsContact C-N 3.32Å; L570-Y572 PolarHBondContact O-N 3.05Å; Y572-Y574 VanDerWaalsContact C-N 3.35Å; Y572-Q575 VanDerWaalsContact O-CG 3.29Å; Y572-Q575 WeakPolarHBondContact O-CG 3.31Å; Y572-Q576 WeakPolarHBondContact O-CB 3.44Å; Y572-Q576 PolarHBondContact O-N 3.01Å; Y572-Q576 VanDerWaalsContact O-N 3.12Å; Y572-Q576 PolarHBondContact OH-OE1 3.36Å
573	V	98.7	Very high	98.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-74.5	-27.2	177.5	-62.4	0	0	0	0	112.3	Y569 L570 Q571 F577 A587 P592	Y569-V573 HydrophobicContact CE1-CG1 4.27Å; Y569-V573 HydrophobicContact CE2-CG1 4.26Å; Y569-V573 PolarHBondContact O-N 3.47Å; L570-V573 HydrophobicContact CD1-CG2 4.27Å; L570-V573 VanDerWaalsContact O-CG2 3.26Å; L570-V573 WeakPolarHBondContact O-CG2 3.25Å; L570-V573 PolarHBondContact O-N 3.2Å; Q571-V573 PolarHBondContact O-N 3.37Å; V573-F577 VanDerWaalsContact O-CD2 3.3Å; V573-F577 WeakPolarHBondContact O-CD2 3.32Å; V573-F577 PolarHBondContact O-N 2.88Å; V573-A587 HydrophobicContact CB-CB 4.01Å; V573-A587 HydrophobicContact CG1-CB 4.13Å; V573-P592 HydrophobicContact CG1-CG 3.97Å
574	Y	98.8	Very high	98.7	Very high	22 Å²	22	22.5 Å²	22.5	9%	0.086	12%	0.118	C	C	.	.	H	α-helix	trans	-64.9	-54.5	175.5	-169.6	-114.9	0	0	0	112.2	E501 I502 Y506 L570 Q571 Y572 Q576 F577 G578 N579 R581 S584	E501-Y574 HydrophobicContact CB-CD1 4.22Å; E501-Y574 HydrophobicContact CB-CE1 4.07Å; I502-Y574 HydrophobicContact CB-CD1 4.49Å; I502-Y574 VanDerWaalsContact CG2-CB 3.43Å; I502-Y574 HydrophobicContact CG2-CD1 3.49Å; I502-Y574 VanDerWaalsContact CG2-CD1 3.49Å; I502-Y574 HydrophobicContact CG2-CD2 4.11Å; I502-Y574 HydrophobicContact CG2-CE1 4.2Å; I502-Y574 HydrophobicContact CG2-CG 3.42Å; I502-Y574 VanDerWaalsContact CG2-CG 3.42Å; Y506-Y574 HydrophobicContact CE1-CD2 4.07Å; Y506-Y574 HydrophobicContact CE1-CE2 4.39Å; L570-Y574 VanDerWaalsContact O-CB 3.25Å; L570-Y574 WeakPolarHBondContact O-CB 3.11Å; L570-Y574 PolarHBondContact O-N 2.92Å; Q571-Y574 WeakPolarHBondContact O-CB 3.48Å; Q571-Y574 PolarHBondContact O-N 2.89Å; Q571-Y574 VanDerWaalsContact O-N 3.15Å; Y572-Y574 VanDerWaalsContact C-N 3.35Å; Y574-Q576 VanDerWaalsContact C-N 3.34Å; Y574-Q576 PolarHBondContact O-N 3.18Å; Y574-F577 CarbonylContact O-C 3.56Å; Y574-F577 PolarHBondContact O-N 3.27Å; Y574-G578 PolarHBondContact O-N 2.83Å; Y574-N579 HydrophobicContact CD1-CB 4.07Å; Y574-N579 HydrophobicContact CE1-CB 3.47Å; Y574-N579 VanDerWaalsContact CE1-CB 3.47Å; Y574-N579 HydrophobicContact CE2-CB 4.29Å; Y574-N579 VanDerWaalsContact CZ-C 3.46Å; Y574-N579 VanDerWaalsContact CZ-CA 3.45Å; Y574-N579 PolarHBondContact O-N 3.08Å; Y574-N579 PolarHBondContact OH-O 3.33Å; Y574-R581 HydrophobicContact CE2-CG 3.9Å; Y574-S584 WeakPolarHBondContact CD2-OG 3.43Å
575	Q	98.3	Very high	98.7	Very high	91 Å²	91	20.8 Å²	20.8	43%	0.425	11%	0.109	S	C	.	.	H	α-helix	trans	-64	-39	177.3	68.5	-169.1	2.7	0	0	111.8	Q571 Y572 F577 G578	Q571-Q575 VanDerWaalsContact O-CG 3.29Å; Q571-Q575 WeakPolarHBondContact O-CG 3.25Å; Q571-Q575 PolarHBondContact O-N 3.49Å; Y572-Q575 VanDerWaalsContact O-CG 3.29Å; Y572-Q575 WeakPolarHBondContact O-CG 3.31Å; Q575-F577 PolarHBondContact O-N 3.2Å; Q575-F577 VanDerWaalsContact O-N 3.14Å; Q575-G578 PolarHBondContact O-N 2.92Å; Q575-G578 VanDerWaalsContact O-N 3.08Å
576	Q	98.2	Very high	98.7	Very high	75 Å²	75	20.7 Å²	20.7	35%	0.35	11%	0.109	S	C	.	.	H	α-helix	trans	-58.6	-30.9	179.8	178.4	172.8	26.6	0	0	112.4	Y572 Y574	Y572-Q576 WeakPolarHBondContact O-CB 3.44Å; Y572-Q576 PolarHBondContact O-N 3.01Å; Y572-Q576 VanDerWaalsContact O-N 3.12Å; Y572-Q576 PolarHBondContact OH-OE1 3.36Å; Y574-Q576 VanDerWaalsContact C-N 3.34Å; Y574-Q576 PolarHBondContact O-N 3.18Å
577	F	98.7	Very high	98.7	Very high	20 Å²	20	20.7 Å²	20.7	9%	0.088	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	26.2	-179.5	-68.9	-76.5	0	0	0	113	V573 Y574 Q575 F583 A587 P592 V595 R596 L599	V573-F577 VanDerWaalsContact O-CD2 3.3Å; V573-F577 WeakPolarHBondContact O-CD2 3.32Å; V573-F577 PolarHBondContact O-N 2.88Å; Y574-F577 CarbonylContact O-C 3.56Å; Y574-F577 PolarHBondContact O-N 3.27Å; Q575-F577 PolarHBondContact O-N 3.2Å; Q575-F577 VanDerWaalsContact O-N 3.14Å; F577-F583 HydrophobicContact CB-CB 3.44Å; F577-F583 VanDerWaalsContact CB-CB 3.44Å; F577-F583 HydrophobicContact CB-CD2 3.96Å; F577-F583 HydrophobicContact CB-CG 4.13Å; F577-F583 HydrophobicContact CD1-CB 4.09Å; F577-F583 HydrophobicContact CD1-CG 4.46Å; F577-F583 HydrophobicContact CD2-CB 4.39Å; F577-F583 HydrophobicContact CG-CB 3.74Å; F577-F583 HydrophobicContact CG-CG 4.5Å; F577-A587 HydrophobicContact CD2-CB 4.15Å; F577-A587 HydrophobicContact CE2-CB 3.72Å; F577-P592 HydrophobicContact CE2-CB 3.92Å; F577-P592 HydrophobicContact CZ-CB 4.06Å; F577-V595 HydrophobicContact CD1-CG1 4.08Å; F577-V595 HydrophobicContact CE1-CB 4.07Å; F577-V595 HydrophobicContact CE1-CG1 3.65Å; F577-V595 HydrophobicContact CE2-CB 4.43Å; F577-V595 HydrophobicContact CE2-CG1 4.45Å; F577-V595 HydrophobicContact CZ-CB 3.82Å; F577-V595 HydrophobicContact CZ-CG1 3.87Å; F577-R596 HydrophobicContact CE1-CG 4.04Å; F577-R596 HydrophobicContact CZ-CG 4.18Å; F577-L599 HydrophobicContact CD1-CD1 4.14Å; F577-L599 HydrophobicContact CE1-CD1 4.16Å
578	G	98	Very high	98.7	Very high	53 Å²	53	21.9 Å²	21.9	55%	0.546	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	42.7	170.1	0	0	0	0	0	113.8	Y574 Q575 N580	Y574-G578 PolarHBondContact O-N 2.83Å; Q575-G578 PolarHBondContact O-N 2.92Å; Q575-G578 VanDerWaalsContact O-N 3.08Å; G578-N580 VanDerWaalsContact C-N 3.33Å; G578-N580 PolarHBondContact O-N 3.45Å
579	N	98.6	Very high	98.7	Very high	55 Å²	55	23.6 Å²	23.6	29%	0.294	12%	0.122	S	C	.	.	S	Bend	trans	57.7	43.2	174.5	-61.9	5.7	0	0	0	113.1	E501 Y574	E501-N579 PolarHBondContact OE1-ND2 2.83Å; Y574-N579 HydrophobicContact CD1-CB 4.07Å; Y574-N579 HydrophobicContact CE1-CB 3.47Å; Y574-N579 VanDerWaalsContact CE1-CB 3.47Å; Y574-N579 HydrophobicContact CE2-CB 4.29Å; Y574-N579 VanDerWaalsContact CZ-C 3.46Å; Y574-N579 VanDerWaalsContact CZ-CA 3.45Å; Y574-N579 PolarHBondContact O-N 3.08Å; Y574-N579 PolarHBondContact OH-O 3.33Å
580	N	98.8	Very high	98.6	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.027	13%	0.127	C	C	.	.			trans	-114.3	120.9	-179.4	-176.1	-63.9	0	0	0	110.4	G578 I582 F583 S584 Y654	G578-N580 VanDerWaalsContact C-N 3.33Å; G578-N580 PolarHBondContact O-N 3.45Å; N580-I582 PolarHBondContact O-N 2.88Å; N580-I582 WeakPolarHBondContact OD1-CA 3.46Å; N580-I582 VanDerWaalsContact OD1-CB 3.29Å; N580-I582 WeakPolarHBondContact OD1-CB 3.43Å; N580-I582 PolarHBondContact OD1-N 2.78Å; N580-F583 HydrophobicContact CB-CB 4.46Å; N580-F583 HydrophobicContact CB-CD2 3.51Å; N580-F583 HydrophobicContact CB-CE2 4.02Å; N580-F583 HydrophobicContact CB-CG 4.24Å; N580-F583 VanDerWaalsContact CG-CD2 3.47Å; N580-F583 PolarHBondContact O-N 3.35Å; N580-F583 PolarHBondContact OD1-N 2.81Å; N580-F583 VanDerWaalsContact OD1-N 3.15Å; N580-S584 WeakPolarHBondContact O-CB 3.46Å; N580-S584 PolarHBondContact O-N 2.99Å; N580-S584 PolarHBondContact O-OG 3.3Å; N580-Y654 PolarHBondContact ND2-OH 3.44Å
581	R	98.9	Very high	98.6	Very high	16 Å²	16	24.6 Å²	24.6	6%	0.06	14%	0.138	C	C	.	.	H	α-helix	trans	-68.9	-31.4	-176.6	-66.4	175	-66.4	143.9	4.9	113	Y506 Y574 S584 S585 L628 D631 L644 E649	Y506-R581 HydrophobicContact CD1-CG 4.05Å; Y506-R581 HydrophobicContact CD2-CB 4.35Å; Y506-R581 HydrophobicContact CD2-CG 3.94Å; Y506-R581 HydrophobicContact CE1-CG 4Å; Y506-R581 HydrophobicContact CE2-CB 3.92Å; Y506-R581 HydrophobicContact CE2-CG 3.92Å; Y506-R581 HydrophobicContact CG-CG 4.02Å; Y506-R581 PolarHBondContact OH-O 3.21Å; Y574-R581 HydrophobicContact CE2-CG 3.9Å; R581-S584 WeakPolarHBondContact CA-OG 3.45Å; R581-S584 PolarHBondContact O-OG 3Å; R581-S585 WeakPolarHBondContact O-CB 3.43Å; R581-S585 PolarHBondContact O-N 2.93Å; R581-S585 PolarHBondContact O-OG 2.85Å; R581-L628 HydrophobicContact CB-CD2 3.78Å; R581-D631 WeakPolarHBondContact CD-OD2 3.24Å; R581-D631 IonicContact CZ-OD2 2.74Å; R581-D631 IonicContact NE-OD2 2.74Å; R581-D631 IonicContact NH1-OD2 2.82Å; R581-D631 PolarHBondContact NH1-OD2 3.45Å; R581-L644 PolarHBondContact NH1-O 3.31Å; R581-L644 PolarHBondContact NH2-O 3.1Å; R581-E649 WeakPolarHBondContact CB-OE1 3.33Å; R581-E649 VanDerWaalsContact CG-OE1 3.3Å; R581-E649 WeakPolarHBondContact CG-OE1 3.49Å; R581-E649 IonicContact CZ-OE1 3.29Å; R581-E649 IonicContact CZ-OE2 2.91Å; R581-E649 PolarHBondContact N-OE1 3.36Å; R581-E649 IonicContact NE-OE1 2.86Å; R581-E649 PolarHBondContact NE-OE1 2.9Å; R581-E649 IonicContact NE-OE2 3.72Å; R581-E649 PolarHBondContact NE-OE2 3.46Å; R581-E649 IonicContact NH2-OE1 3.14Å; R581-E649 IonicContact NH2-OE2 2.66Å; R581-E649 PolarHBondContact NH2-OE2 3.17Å
582	I	98.9	Very high	98.5	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.9	-51.1	175.4	-65.9	163.6	0	0	0	109.9	N580 A586 A608 F611 V612 V624 L628 M645 Y654	N580-I582 PolarHBondContact O-N 2.88Å; N580-I582 WeakPolarHBondContact OD1-CA 3.46Å; N580-I582 VanDerWaalsContact OD1-CB 3.29Å; N580-I582 WeakPolarHBondContact OD1-CB 3.43Å; N580-I582 PolarHBondContact OD1-N 2.78Å; I582-A586 VanDerWaalsContact O-CB 3.3Å; I582-A586 WeakPolarHBondContact O-CB 3.44Å; I582-A586 PolarHBondContact O-N 2.73Å; I582-A586 VanDerWaalsContact O-N 3.08Å; I582-A608 HydrophobicContact CD1-CB 3.82Å; I582-F611 HydrophobicContact CG2-CD1 3.66Å; I582-F611 HydrophobicContact CG2-CE1 3.92Å; I582-V612 HydrophobicContact CD1-CG2 4Å; I582-V612 HydrophobicContact CG1-CG2 3.97Å; I582-V612 HydrophobicContact CG2-CG2 3.78Å; I582-V624 HydrophobicContact CG2-CG1 4.28Å; I582-L628 HydrophobicContact CG1-CD1 3.79Å; I582-M645 HydrophobicContact CD1-CE 4.01Å; I582-M645 HydrophobicContact CD1-SD 3.97Å; I582-Y654 HydrophobicContact CB-CE1 4.45Å; I582-Y654 HydrophobicContact CD1-CE1 3.95Å; I582-Y654 HydrophobicContact CG2-CE1 4.41Å
583	F	98.8	Very high	98.5	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.009	15%	0.149	C	C	.	.	H	α-helix	trans	-69.1	-44.9	-177.7	-58.7	-35	0	0	0	112.7	F577 N580 A586 A587 V595 L599 F611 Y654	F577-F583 HydrophobicContact CB-CB 3.44Å; F577-F583 VanDerWaalsContact CB-CB 3.44Å; F577-F583 HydrophobicContact CB-CD2 3.96Å; F577-F583 HydrophobicContact CB-CG 4.13Å; F577-F583 HydrophobicContact CD1-CB 4.09Å; F577-F583 HydrophobicContact CD1-CG 4.46Å; F577-F583 HydrophobicContact CD2-CB 4.39Å; F577-F583 HydrophobicContact CG-CB 3.74Å; F577-F583 HydrophobicContact CG-CG 4.5Å; N580-F583 HydrophobicContact CB-CB 4.46Å; N580-F583 HydrophobicContact CB-CD2 3.51Å; N580-F583 HydrophobicContact CB-CE2 4.02Å; N580-F583 HydrophobicContact CB-CG 4.24Å; N580-F583 VanDerWaalsContact CG-CD2 3.47Å; N580-F583 PolarHBondContact O-N 3.35Å; N580-F583 PolarHBondContact OD1-N 2.81Å; N580-F583 VanDerWaalsContact OD1-N 3.15Å; F583-A586 PolarHBondContact O-N 2.9Å; F583-A587 VanDerWaalsContact O-CB 3.23Å; F583-A587 WeakPolarHBondContact O-CB 3.19Å; F583-A587 PolarHBondContact O-N 2.98Å; F583-V595 HydrophobicContact CB-CG1 4.1Å; F583-V595 HydrophobicContact CD1-CG1 4.14Å; F583-V595 HydrophobicContact CG-CG1 4.4Å; F583-L599 HydrophobicContact CD1-CD1 4.33Å; F583-L599 HydrophobicContact CD1-CD2 4.39Å; F583-L599 HydrophobicContact CD1-CG 4.48Å; F583-L599 HydrophobicContact CE1-CD1 4.22Å; F583-L599 HydrophobicContact CE1-CD2 3.53Å; F583-L599 HydrophobicContact CE1-CG 4.07Å; F583-L599 HydrophobicContact CE2-CD2 4.43Å; F583-L599 HydrophobicContact CZ-CD1 4.4Å; F583-L599 HydrophobicContact CZ-CD2 3.58Å; F583-L599 HydrophobicContact CZ-CG 4.43Å; F583-F611 AromaticContact CD1-CE1 3.85Å; F583-F611 HydrophobicContact CD1-CE1 3.85Å; F583-F611 HydrophobicContact CD1-CZ 4.05Å; F583-F611 HydrophobicContact CE1-CD1 4.16Å; F583-F611 AromaticContact CE1-CE1 3.74Å; F583-F611 HydrophobicContact CE1-CE1 3.74Å; F583-F611 HydrophobicContact CE1-CE2 4.27Å; F583-F611 AromaticContact CE1-CZ 3.8Å; F583-F611 HydrophobicContact CE1-CZ 3.8Å; F583-Y654 HydrophobicContact CD1-CE1 4.39Å; F583-Y654 AromaticContact CE1-CD1 3.33Å; F583-Y654 HydrophobicContact CE1-CD1 3.33Å; F583-Y654 AromaticContact CE1-CE1 3.43Å; F583-Y654 HydrophobicContact CE1-CE1 3.43Å; F583-Y654 VanDerWaalsContact CE1-CE1 3.43Å; F583-Y654 HydrophobicContact CE2-CD1 4.44Å; F583-Y654 HydrophobicContact CE2-CE1 4.06Å; F583-Y654 AromaticContact CZ-CD1 3.25Å; F583-Y654 HydrophobicContact CZ-CD1 3.25Å; F583-Y654 AromaticContact CZ-CE1 3.2Å; F583-Y654 HydrophobicContact CZ-CE1 3.2Å; F583-Y654 HydrophobicContact CZ-CG 4.26Å
584	S	98.9	Very high	98.5	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.1	-38.3	-179.6	52.2	0	0	0	0	112.4	Y506 Y574 N580 R581 A587 Y588	Y506-S584 PolarHBondContact OH-OG 2.69Å; Y574-S584 WeakPolarHBondContact CD2-OG 3.43Å; N580-S584 WeakPolarHBondContact O-CB 3.46Å; N580-S584 PolarHBondContact O-N 2.99Å; N580-S584 PolarHBondContact O-OG 3.3Å; R581-S584 WeakPolarHBondContact CA-OG 3.45Å; R581-S584 PolarHBondContact O-OG 3Å; S584-A587 PolarHBondContact O-N 2.89Å; S584-Y588 WeakPolarHBondContact O-CB 3.49Å; S584-Y588 PolarHBondContact O-N 2.81Å
585	S	98.9	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-45.4	173.7	-70.8	0	0	0	0	111.2	Y506 R581 A587 Y588 N589 Y623 V627	Y506-S585 WeakPolarHBondContact CE2-OG 3.46Å; Y506-S585 PolarHBondContact OH-N 2.98Å; Y506-S585 PolarHBondContact OH-OG 2.92Å; R581-S585 WeakPolarHBondContact O-CB 3.43Å; R581-S585 PolarHBondContact O-N 2.93Å; R581-S585 PolarHBondContact O-OG 2.85Å; S585-A587 VanDerWaalsContact C-N 3.32Å; S585-A587 PolarHBondContact O-N 3.39Å; S585-Y588 PolarHBondContact O-N 3.24Å; S585-N589 PolarHBondContact O-N 3.19Å; S585-Y623 WeakPolarHBondContact O-CE1 3.4Å; S585-V627 WeakPolarHBondContact OG-CG1 3.38Å
586	A	98.8	Very high	98.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-39.6	176	0	0	0	0	0	112	I582 F583 A590 V595 W598 T620 V624	I582-A586 VanDerWaalsContact O-CB 3.3Å; I582-A586 WeakPolarHBondContact O-CB 3.44Å; I582-A586 PolarHBondContact O-N 2.73Å; I582-A586 VanDerWaalsContact O-N 3.08Å; F583-A586 PolarHBondContact O-N 2.9Å; A586-A590 WeakPolarHBondContact O-CB 3.25Å; A586-A590 PolarHBondContact O-N 3.33Å; A586-V595 HydrophobicContact CB-CG2 3.67Å; A586-W598 HydrophobicContact CB-CZ3 4.13Å; A586-T620 HydrophobicContact CB-CG2 4.15Å; A586-V624 HydrophobicContact CB-CG2 3.94Å
587	A	98.7	Very high	98.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-72.2	-31.8	179	0	0	0	0	0	112.4	V573 F577 F583 S584 S585 G591 P592 V595	V573-A587 HydrophobicContact CB-CB 4.01Å; V573-A587 HydrophobicContact CG1-CB 4.13Å; F577-A587 HydrophobicContact CD2-CB 4.15Å; F577-A587 HydrophobicContact CE2-CB 3.72Å; F583-A587 VanDerWaalsContact O-CB 3.23Å; F583-A587 WeakPolarHBondContact O-CB 3.19Å; F583-A587 PolarHBondContact O-N 2.98Å; S584-A587 PolarHBondContact O-N 2.89Å; S585-A587 VanDerWaalsContact C-N 3.32Å; S585-A587 PolarHBondContact O-N 3.39Å; A587-G591 CarbonylContact O-C 3.56Å; A587-G591 WeakPolarHBondContact O-CA 3.48Å; A587-G591 PolarHBondContact O-N 2.88Å; A587-P592 HydrophobicContact CB-CG 4.34Å; A587-V595 HydrophobicContact CB-CG2 3.81Å
588	Y	98.7	Very high	98.5	Very high	25 Å²	25	30.1 Å²	30.1	10%	0.098	17%	0.171	C	C	.	.	H	α-helix	trans	-63.4	-48	174.6	-162.7	-83.7	0	0	0	110.7	I510 E514 M531 Y569 L570 S584 S585 Y623	I510-Y588 HydrophobicContact CG2-CD1 4.25Å; I510-Y588 HydrophobicContact CG2-CE1 4.01Å; I510-Y588 HydrophobicContact CG2-CE2 4.36Å; E514-Y588 HydrophobicContact CG-CE1 4.18Å; E514-Y588 WeakPolarHBondContact OE1-CD1 3.5Å; E514-Y588 VanDerWaalsContact OE1-CE1 3.29Å; E514-Y588 WeakPolarHBondContact OE1-CE1 3.14Å; M531-Y588 WeakPolarHBondContact CB-OH 3.38Å; M531-Y588 HydrophobicContact CE-CE2 4.48Å; M531-Y588 PolarHBondContact O-OH 3.24Å; Y569-Y588 AromaticContact CD1-CD2 3.84Å; Y569-Y588 HydrophobicContact CD1-CD2 3.84Å; Y569-Y588 AromaticContact CD1-CE2 3.7Å; Y569-Y588 HydrophobicContact CD1-CE2 3.7Å; Y569-Y588 HydrophobicContact CE1-CD2 4.09Å; Y569-Y588 HydrophobicContact CE1-CE2 4.32Å; L570-Y588 HydrophobicContact CB-CD2 4.32Å; L570-Y588 HydrophobicContact CB-CE2 4.24Å; L570-Y588 HydrophobicContact CD1-CD2 3.8Å; L570-Y588 HydrophobicContact CD1-CE2 4.42Å; S584-Y588 WeakPolarHBondContact O-CB 3.49Å; S584-Y588 PolarHBondContact O-N 2.81Å; S585-Y588 PolarHBondContact O-N 3.24Å; Y588-Y623 WeakPolarHBondContact CD1-OH 3.44Å
589	N	98.6	Very high	98.5	Very high	40 Å²	40	29.3 Å²	29.3	21%	0.214	16%	0.155	C	C	.	.	H	α-helix	trans	-78.6	-44.7	-178.6	174.9	-104.2	0	0	0	113.9	S585 E619 T620 Y623	S585-N589 PolarHBondContact O-N 3.19Å; N589-E619 PolarHBondContact ND2-OE1 2.97Å; N589-T620 HydrophobicContact CB-CG2 4.32Å; N589-T620 VanDerWaalsContact OD1-CA 3.27Å; N589-T620 WeakPolarHBondContact OD1-CA 3.26Å; N589-T620 VanDerWaalsContact OD1-CB 3.28Å; N589-T620 WeakPolarHBondContact OD1-CB 3.42Å; N589-T620 WeakPolarHBondContact OD1-CG2 3.29Å; N589-T620 PolarHBondContact OD1-OG1 2.63Å; N589-Y623 HydrophobicContact CB-CD1 3.89Å; N589-Y623 HydrophobicContact CB-CD2 4.1Å; N589-Y623 HydrophobicContact CB-CE1 4.06Å; N589-Y623 HydrophobicContact CB-CE2 4.24Å; N589-Y623 HydrophobicContact CB-CG 3.92Å
590	A	98	Very high	98.5	Very high	26 Å²	26	29.2 Å²	29.2	22%	0.215	17%	0.167	C	C	.	.	H	α-helix	trans	-108.9	-2.4	-171.7	0	0	0	0	0	115	A586 R594 W598 T620	A586-A590 WeakPolarHBondContact O-CB 3.25Å; A586-A590 PolarHBondContact O-N 3.33Å; A590-R594 HydrophobicContact CB-CB 4.2Å; A590-R594 HydrophobicContact CB-CG 4.48Å; A590-R594 WeakPolarHBondContact O-CG 3.3Å; A590-W598 HydrophobicContact CB-CH2 3.74Å; A590-W598 HydrophobicContact CB-CZ2 4.49Å; A590-W598 HydrophobicContact CB-CZ3 4.42Å; A590-T620 HydrophobicContact CB-CG2 4Å
591	G	97.3	Very high	98.3	Very high	22 Å²	22	31.7 Å²	31.7	23%	0.227	18%	0.18	C	C	.	.			trans	85.5	148.3	-177.2	0	0	0	0	0	114	A587 G593 R594	A587-G591 CarbonylContact O-C 3.56Å; A587-G591 WeakPolarHBondContact O-CA 3.48Å; A587-G591 PolarHBondContact O-N 2.88Å; G591-G593 PolarHBondContact O-N 3.38Å; G591-G593 VanDerWaalsContact O-N 3.15Å; G591-R594 PolarHBondContact O-N 2.71Å
592	P	97.9	Very high	98.3	Very high	19 Å²	19	31.1 Å²	31.1	12%	0.123	18%	0.178	C	C	.	.	H	α-helix	trans	-57.5	-31.6	-178.7	-28.4	35.6	0	0	0	115	V573 F577 A587 R594 V595 R596	V573-P592 HydrophobicContact CG1-CG 3.97Å; F577-P592 HydrophobicContact CE2-CB 3.92Å; F577-P592 HydrophobicContact CZ-CB 4.06Å; A587-P592 HydrophobicContact CB-CG 4.34Å; P592-R594 VanDerWaalsContact C-N 3.34Å; P592-R594 PolarHBondContact O-N 2.89Å; P592-V595 PolarHBondContact O-N 3.1Å; P592-R596 PolarHBondContact O-N 2.92Å; P592-R596 VanDerWaalsContact O-N 3.13Å; P592-R596 PolarHBondContact O-NH1 3.38Å
593	G	98.2	Very high	98.2	Very high	36 Å²	36	34 Å²	34	37%	0.371	20%	0.202	S	C	.	.	H	α-helix	trans	-60.6	-41.7	179.3	0	0	0	0	0	112.8	G591 R596 T597	G591-G593 PolarHBondContact O-N 3.38Å; G591-G593 VanDerWaalsContact O-N 3.15Å; G593-R596 PolarHBondContact O-N 3.13Å; G593-T597 PolarHBondContact O-N 3.49Å; G593-T597 VanDerWaalsContact O-N 3.17Å; G593-T597 PolarHBondContact O-OG1 3.22Å
594	R	98.3	Very high	98.2	Very high	124 Å²	124	34.5 Å²	34.5	47%	0.468	21%	0.208	S	C	.	.	H	α-helix	trans	-68.1	-41.7	179.1	-72.6	-64.2	-178.4	-170.3	-1.2	112.2	A590 G591 P592 R596 T597 W598 F617	A590-R594 HydrophobicContact CB-CB 4.2Å; A590-R594 HydrophobicContact CB-CG 4.48Å; A590-R594 WeakPolarHBondContact O-CG 3.3Å; G591-R594 PolarHBondContact O-N 2.71Å; P592-R594 VanDerWaalsContact C-N 3.34Å; P592-R594 PolarHBondContact O-N 2.89Å; R594-R596 VanDerWaalsContact C-N 3.31Å; R594-R596 PolarHBondContact O-N 3.43Å; R594-T597 WeakPolarHBondContact O-CB 3.44Å; R594-T597 PolarHBondContact O-N 3.22Å; R594-T597 VanDerWaalsContact O-N 3.13Å; R594-W598 HydrophobicContact CB-CH2 4.23Å; R594-W598 HydrophobicContact CB-CZ2 3.89Å; R594-W598 VanDerWaalsContact O-CG 3.22Å; R594-W598 PolarHBondContact O-N 2.71Å; R594-F617 HydrophobicContact CG-CE2 4.3Å
595	V	98.6	Very high	98.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.9	-41.6	177	-178.7	0	0	0	0	111.2	F577 F583 A586 A587 P592 T597 W598 L599	F577-V595 HydrophobicContact CD1-CG1 4.08Å; F577-V595 HydrophobicContact CE1-CB 4.07Å; F577-V595 HydrophobicContact CE1-CG1 3.65Å; F577-V595 HydrophobicContact CE2-CB 4.43Å; F577-V595 HydrophobicContact CE2-CG1 4.45Å; F577-V595 HydrophobicContact CZ-CB 3.82Å; F577-V595 HydrophobicContact CZ-CG1 3.87Å; F583-V595 HydrophobicContact CB-CG1 4.1Å; F583-V595 HydrophobicContact CD1-CG1 4.14Å; F583-V595 HydrophobicContact CG-CG1 4.4Å; A586-V595 HydrophobicContact CB-CG2 3.67Å; A587-V595 HydrophobicContact CB-CG2 3.81Å; P592-V595 PolarHBondContact O-N 3.1Å; V595-T597 PolarHBondContact O-N 2.97Å; V595-W598 HydrophobicContact CG2-CE3 4.46Å; V595-W598 PolarHBondContact O-N 2.75Å; V595-L599 HydrophobicContact CG1-CD1 4.11Å; V595-L599 WeakPolarHBondContact O-CB 3.36Å; V595-L599 PolarHBondContact O-N 3.11Å
596	R	98.6	Very high	98.2	Very high	127 Å²	127	41.9 Å²	41.9	48%	0.479	24%	0.237	S	C	.	.	H	α-helix	trans	-60.3	-42.6	173.5	-74	-172.7	-67.2	-86.1	5.6	112.6	F577 P592 G593 R594 G600	F577-R596 HydrophobicContact CE1-CG 4.04Å; F577-R596 HydrophobicContact CZ-CG 4.18Å; P592-R596 PolarHBondContact O-N 2.92Å; P592-R596 VanDerWaalsContact O-N 3.13Å; P592-R596 PolarHBondContact O-NH1 3.38Å; G593-R596 PolarHBondContact O-N 3.13Å; R594-R596 VanDerWaalsContact C-N 3.31Å; R594-R596 PolarHBondContact O-N 3.43Å; R596-G600 PolarHBondContact O-N 3.25Å
597	T	98.1	Very high	98.2	Very high	66 Å²	66	44.6 Å²	44.6	41%	0.405	25%	0.251	S	S	.	.	H	α-helix	trans	-60.4	-44.8	174	-57.7	0	0	0	0	111.4	G593 R594 V595 G600 N601	G593-T597 PolarHBondContact O-N 3.49Å; G593-T597 VanDerWaalsContact O-N 3.17Å; G593-T597 PolarHBondContact O-OG1 3.22Å; R594-T597 WeakPolarHBondContact O-CB 3.44Å; R594-T597 PolarHBondContact O-N 3.22Å; R594-T597 VanDerWaalsContact O-N 3.13Å; V595-T597 PolarHBondContact O-N 2.97Å; T597-G600 PolarHBondContact O-N 2.94Å; T597-N601 PolarHBondContact O-N 3.37Å; T597-N601 PolarHBondContact O-OD1 2.66Å
598	W	98.4	Very high	98.2	Very high	16 Å²	16	44.7 Å²	44.7	6%	0.061	25%	0.252	C	S	.	.	H	α-helix	trans	-68.2	-38.1	-178.3	-56.8	-21.9	0	0	0	112.9	A586 A590 R594 V595 N601 S602 F611 I615 P616 F617 T620	A586-W598 HydrophobicContact CB-CZ3 4.13Å; A590-W598 HydrophobicContact CB-CH2 3.74Å; A590-W598 HydrophobicContact CB-CZ2 4.49Å; A590-W598 HydrophobicContact CB-CZ3 4.42Å; R594-W598 HydrophobicContact CB-CH2 4.23Å; R594-W598 HydrophobicContact CB-CZ2 3.89Å; R594-W598 VanDerWaalsContact O-CG 3.22Å; R594-W598 PolarHBondContact O-N 2.71Å; V595-W598 HydrophobicContact CG2-CE3 4.46Å; V595-W598 PolarHBondContact O-N 2.75Å; W598-N601 PolarHBondContact O-N 3.39Å; W598-S602 PolarHBondContact O-N 3.29Å; W598-S602 PolarHBondContact O-OG 3.24Å; W598-F611 HydrophobicContact CB-CE2 4.21Å; W598-F611 HydrophobicContact CB-CZ 4.09Å; W598-I615 HydrophobicContact CE3-CG1 4.15Å; W598-I615 HydrophobicContact CE3-CG2 4.17Å; W598-I615 HydrophobicContact CH2-CG2 3.76Å; W598-I615 HydrophobicContact CZ2-CG2 4.32Å; W598-I615 HydrophobicContact CZ3-CD1 4.46Å; W598-I615 HydrophobicContact CZ3-CG1 4.25Å; W598-I615 HydrophobicContact CZ3-CG2 3.67Å; W598-P616 HydrophobicContact CZ2-CG 4.12Å; W598-P616 VanDerWaalsContact NE1-CG 3.29Å; W598-F617 HydrophobicContact CH2-CD2 4.15Å; W598-F617 HydrophobicContact CH2-CG 4.44Å; W598-F617 HydrophobicContact CZ2-CB 4.41Å; W598-F617 HydrophobicContact CZ2-CD1 4.47Å; W598-F617 AromaticContact CZ2-CD2 3.76Å; W598-F617 HydrophobicContact CZ2-CD2 3.76Å; W598-F617 HydrophobicContact CZ2-CE2 4.1Å; W598-F617 AromaticContact CZ2-CG 3.96Å; W598-F617 HydrophobicContact CZ2-CG 3.96Å; W598-T620 HydrophobicContact CH2-CG2 3.84Å; W598-T620 HydrophobicContact CZ3-CG2 3.87Å
599	L	98.3	Very high	98.2	Very high	37 Å²	37	43.6 Å²	43.6	19%	0.194	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-42.3	170.2	-82	170.2	0	0	0	112.1	F577 F583 V595 N601 S602 A603 F611	F577-L599 HydrophobicContact CD1-CD1 4.14Å; F577-L599 HydrophobicContact CE1-CD1 4.16Å; F583-L599 HydrophobicContact CD1-CD1 4.33Å; F583-L599 HydrophobicContact CD1-CD2 4.39Å; F583-L599 HydrophobicContact CD1-CG 4.48Å; F583-L599 HydrophobicContact CE1-CD1 4.22Å; F583-L599 HydrophobicContact CE1-CD2 3.53Å; F583-L599 HydrophobicContact CE1-CG 4.07Å; F583-L599 HydrophobicContact CE2-CD2 4.43Å; F583-L599 HydrophobicContact CZ-CD1 4.4Å; F583-L599 HydrophobicContact CZ-CD2 3.58Å; F583-L599 HydrophobicContact CZ-CG 4.43Å; V595-L599 HydrophobicContact CG1-CD1 4.11Å; V595-L599 WeakPolarHBondContact O-CB 3.36Å; V595-L599 PolarHBondContact O-N 3.11Å; L599-N601 VanDerWaalsContact C-N 3.27Å; L599-N601 PolarHBondContact O-N 3.47Å; L599-S602 PolarHBondContact O-N 3.14Å; L599-S602 PolarHBondContact O-OG 3.39Å; L599-A603 WeakPolarHBondContact O-CA 3.13Å; L599-A603 PolarHBondContact O-N 3.49Å; L599-F611 HydrophobicContact CD2-CE2 3.97Å; L599-F611 HydrophobicContact CD2-CZ 4.34Å; L599-F611 HydrophobicContact CG-CE2 4.15Å; L599-F611 HydrophobicContact CG-CZ 4.23Å
600	G	97.9	Very high	98.2	Very high	53 Å²	53	42 Å²	42	55%	0.546	24%	0.24	S	C	.	.	H	α-helix	trans	-62.6	-34.4	174	0	0	0	0	0	112.9	R596 T597	R596-G600 PolarHBondContact O-N 3.25Å; T597-G600 PolarHBondContact O-N 2.94Å
601	N	96.5	Very high	98.2	Very high	57 Å²	57	40.9 Å²	40.9	31%	0.305	23%	0.23	S	C	.	.	H	α-helix	trans	-72.2	-41.5	178.4	-67.8	-6.9	0	0	0	112.7	N301 T597 W598 L599 R605	N301-N601 PolarHBondContact ND2-OD1 2.91Å; T597-N601 PolarHBondContact O-N 3.37Å; T597-N601 PolarHBondContact O-OD1 2.66Å; W598-N601 PolarHBondContact O-N 3.39Å; L599-N601 VanDerWaalsContact C-N 3.27Å; L599-N601 PolarHBondContact O-N 3.47Å; N601-R605 PolarHBondContact O-NH2 2.83Å
602	S	98	Very high	98.3	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-77.2	-36.3	178.9	39.4	0	0	0	0	111.8	G333 W598 L599 G604 R605 Y654	G333-S602 WeakPolarHBondContact O-CA 3.44Å; W598-S602 PolarHBondContact O-N 3.29Å; W598-S602 PolarHBondContact O-OG 3.24Å; L599-S602 PolarHBondContact O-N 3.14Å; L599-S602 PolarHBondContact O-OG 3.39Å; S602-G604 VanDerWaalsContact C-N 3.31Å; S602-G604 PolarHBondContact O-N 2.86Å; S602-R605 WeakPolarHBondContact O-CB 3.5Å; S602-R605 WeakPolarHBondContact O-CG 3.33Å; S602-R605 PolarHBondContact O-N 2.99Å; S602-R605 PolarHBondContact O-NE 3.44Å; S602-Y654 PolarHBondContact OG-OXT 2.78Å; S602-Y654 VanDerWaalsContact OG-OXT 3.13Å
603	A	97.5	Very high	98.3	Very high	61 Å²	61	38.9 Å²	38.9	50%	0.504	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	35.9	170.3	0	0	0	0	0	114.3	L599 R605	L599-A603 WeakPolarHBondContact O-CA 3.13Å; L599-A603 PolarHBondContact O-N 3.49Å; A603-R605 VanDerWaalsContact C-N 3.29Å; A603-R605 PolarHBondContact O-N 2.98Å
604	G	98	Very high	98.4	Very high	13 Å²	13	38 Å²	38	13%	0.134	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	19.8	178.2	0	0	0	0	0	114.2	S602 R653 Y654	S602-G604 VanDerWaalsContact C-N 3.31Å; S602-G604 PolarHBondContact O-N 2.86Å; G604-R653 WeakPolarHBondContact O-CD 3.38Å; G604-R653 PolarHBondContact O-NH1 2.9Å; G604-Y654 CarbonylContact C-O 3.59Å; G604-Y654 VanDerWaalsContact C-O 3.26Å; G604-Y654 VanDerWaalsContact CA-C 3.43Å; G604-Y654 WeakPolarHBondContact CA-O 3.27Å; G604-Y654 VanDerWaalsContact N-C 3.32Å; G604-Y654 PolarHBondContact N-O 3.08Å; G604-Y654 PolarHBondContact N-OXT 3.49Å
605	R	98.5	Very high	98.4	Very high	142 Å²	142	32.3 Å²	32.3	54%	0.536	18%	0.18	S	C	.	.			trans	-92.5	-14	-176.8	-66.8	179.4	-72.6	-176.6	-4.1	113.4	N601 S602 A603 Y654	N601-R605 PolarHBondContact O-NH2 2.83Å; S602-R605 WeakPolarHBondContact O-CB 3.5Å; S602-R605 WeakPolarHBondContact O-CG 3.33Å; S602-R605 PolarHBondContact O-N 2.99Å; S602-R605 PolarHBondContact O-NE 3.44Å; A603-R605 VanDerWaalsContact C-N 3.29Å; A603-R605 PolarHBondContact O-N 2.98Å; R605-Y654 PolarHBondContact N-O 3.14Å; R605-Y654 VanDerWaalsContact N-O 3.1Å
606	I	98.7	Very high	98.3	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.067	19%	0.194	C	C	.	.	S	Bend	trans	-128.1	166.7	-167	74.3	-177.8	0	0	0	111	L332 G335 A610 F611 Y654	L332-I606 VanDerWaalsContact O-CG2 3.29Å; L332-I606 WeakPolarHBondContact O-CG2 3.07Å; G335-I606 VanDerWaalsContact N-CG2 3.32Å; I606-A610 HydrophobicContact CB-CB 3.82Å; I606-A610 HydrophobicContact CD1-CB 4.03Å; I606-A610 HydrophobicContact CG1-CB 4.12Å; I606-F611 HydrophobicContact CD1-CB 4.02Å; I606-F611 HydrophobicContact CD1-CD2 4.39Å; I606-F611 HydrophobicContact CG1-CB 4.35Å; I606-Y654 WeakPolarHBondContact CG1-O 3.36Å; I606-Y654 PolarHBondContact N-O 3.12Å; I606-Y654 PolarHBondContact O-N 2.92Å
607	D	98.7	Very high	98.3	Very high	57 Å²	57	32.5 Å²	32.5	31%	0.305	19%	0.189	S	C	.	.			trans	-88	177.3	175.1	68.8	42.9	0	0	0	112.4	V609 A610 F611	D607-V609 VanDerWaalsContact C-N 3.35Å; D607-V609 PolarHBondContact O-N 2.96Å; D607-V609 WeakPolarHBondContact OD1-CA 3.39Å; D607-V609 PolarHBondContact OD1-N 3.36Å; D607-A610 PolarHBondContact O-N 3.45Å; D607-A610 WeakPolarHBondContact OD1-CB 3.3Å; D607-A610 PolarHBondContact OD1-N 2.81Å; D607-F611 PolarHBondContact O-N 2.83Å
608	A	98.7	Very high	98.2	Very high	2 Å²	2	33.6 Å²	33.6	2%	0.017	20%	0.199	C	C	.	.	H	α-helix	trans	-58.7	-42.1	-179.2	0	0	0	0	0	113.3	I582 F611 V612 M645 Y654	I582-A608 HydrophobicContact CD1-CB 3.82Å; A608-F611 PolarHBondContact O-N 3.47Å; A608-V612 WeakPolarHBondContact O-CG2 3.2Å; A608-V612 PolarHBondContact O-N 3.41Å; A608-M645 HydrophobicContact CB-CE 4.24Å; A608-M645 HydrophobicContact CB-SD 3.66Å; A608-Y654 VanDerWaalsContact CA-CE2 3.42Å; A608-Y654 HydrophobicContact CB-CD2 4.12Å; A608-Y654 HydrophobicContact CB-CE1 4.5Å; A608-Y654 HydrophobicContact CB-CE2 3.47Å; A608-Y654 VanDerWaalsContact CB-CE2 3.47Å
609	V	98.8	Very high	98.1	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.012	23%	0.227	C	C	.	.	H	α-helix	trans	-73.5	-40.9	-175.3	-169.8	0	0	0	0	110	Y359 W360 F387 Y388 V391 D607 F611 V612 E613 W650	Y359-V609 HydrophobicContact CD1-CG1 4.18Å; Y359-V609 HydrophobicContact CE1-CB 4.24Å; Y359-V609 HydrophobicContact CE1-CG1 3.63Å; W360-V609 HydrophobicContact CH2-CB 4.23Å; W360-V609 HydrophobicContact CH2-CG1 4.36Å; W360-V609 HydrophobicContact CZ2-CB 4.11Å; W360-V609 HydrophobicContact CZ2-CG1 3.81Å; F387-V609 HydrophobicContact CE1-CG1 4.46Å; Y388-V609 HydrophobicContact CE1-CG1 3.88Å; V391-V609 HydrophobicContact CG1-CG1 4.08Å; V391-V609 HydrophobicContact CG1-CG2 3.68Å; V391-V609 HydrophobicContact CG2-CG2 4.41Å; D607-V609 VanDerWaalsContact C-N 3.35Å; D607-V609 PolarHBondContact O-N 2.96Å; D607-V609 WeakPolarHBondContact OD1-CA 3.39Å; D607-V609 PolarHBondContact OD1-N 3.36Å; V609-F611 VanDerWaalsContact C-N 3.32Å; V609-F611 PolarHBondContact O-N 3.41Å; V609-V612 PolarHBondContact O-N 3.3Å; V609-E613 PolarHBondContact O-N 3.08Å; V609-W650 HydrophobicContact CG2-CH2 4.08Å; V609-W650 HydrophobicContact CG2-CZ3 3.86Å
610	A	98.8	Very high	98.1	Very high	5 Å²	5	37.8 Å²	37.8	4%	0.041	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-42.3	173.5	0	0	0	0	0	111	W360 I606 D607 E613 S614	W360-A610 HydrophobicContact CH2-CB 3.63Å; W360-A610 VanDerWaalsContact CZ2-CA 3.5Å; W360-A610 HydrophobicContact CZ2-CB 4.08Å; I606-A610 HydrophobicContact CB-CB 3.82Å; I606-A610 HydrophobicContact CD1-CB 4.03Å; I606-A610 HydrophobicContact CG1-CB 4.12Å; D607-A610 PolarHBondContact O-N 3.45Å; D607-A610 WeakPolarHBondContact OD1-CB 3.3Å; D607-A610 PolarHBondContact OD1-N 2.81Å; A610-E613 PolarHBondContact O-N 2.95Å; A610-S614 WeakPolarHBondContact O-CB 3.26Å; A610-S614 PolarHBondContact O-N 3.16Å; A610-S614 PolarHBondContact O-OG 2.88Å
611	F	98.9	Very high	98.2	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.013	20%	0.198	C	C	.	.	H	α-helix	trans	-61.7	-50.2	175.7	-174.1	-90.8	0	0	0	111.6	I582 F583 W598 L599 I606 D607 A608 V609 E613 S614 I615 Y654	I582-F611 HydrophobicContact CG2-CD1 3.66Å; I582-F611 HydrophobicContact CG2-CE1 3.92Å; F583-F611 AromaticContact CD1-CE1 3.85Å; F583-F611 HydrophobicContact CD1-CE1 3.85Å; F583-F611 HydrophobicContact CD1-CZ 4.05Å; F583-F611 HydrophobicContact CE1-CD1 4.16Å; F583-F611 AromaticContact CE1-CE1 3.74Å; F583-F611 HydrophobicContact CE1-CE1 3.74Å; F583-F611 HydrophobicContact CE1-CE2 4.27Å; F583-F611 AromaticContact CE1-CZ 3.8Å; F583-F611 HydrophobicContact CE1-CZ 3.8Å; W598-F611 HydrophobicContact CB-CE2 4.21Å; W598-F611 HydrophobicContact CB-CZ 4.09Å; L599-F611 HydrophobicContact CD2-CE2 3.97Å; L599-F611 HydrophobicContact CD2-CZ 4.34Å; L599-F611 HydrophobicContact CG-CE2 4.15Å; L599-F611 HydrophobicContact CG-CZ 4.23Å; I606-F611 HydrophobicContact CD1-CB 4.02Å; I606-F611 HydrophobicContact CD1-CD2 4.39Å; I606-F611 HydrophobicContact CG1-CB 4.35Å; D607-F611 PolarHBondContact O-N 2.83Å; A608-F611 PolarHBondContact O-N 3.47Å; V609-F611 VanDerWaalsContact C-N 3.32Å; V609-F611 PolarHBondContact O-N 3.41Å; F611-E613 PolarHBondContact O-N 3.49Å; F611-S614 PolarHBondContact O-N 3.36Å; F611-S614 PolarHBondContact O-OG 2.79Å; F611-I615 HydrophobicContact CE1-CG1 4.46Å; F611-I615 WeakPolarHBondContact O-CG1 3.33Å; F611-I615 PolarHBondContact O-N 2.94Å; F611-Y654 HydrophobicContact CB-CD1 3.69Å; F611-Y654 HydrophobicContact CB-CG 3.83Å; F611-Y654 AromaticContact CD1-CD1 3.97Å; F611-Y654 HydrophobicContact CD1-CD1 3.97Å; F611-Y654 HydrophobicContact CD2-CD1 4.12Å; F611-Y654 HydrophobicContact CD2-CG 4.46Å; F611-Y654 AromaticContact CG-CD1 3.65Å; F611-Y654 HydrophobicContact CG-CD1 3.65Å; F611-Y654 HydrophobicContact CG-CG 4.17Å
612	V	98.8	Very high	98.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.9	-49	178	171.5	0	0	0	0	111	F387 I582 A608 V609 S614 I615 R621 V624 K625	F387-V612 HydrophobicContact CE1-CG1 4.22Å; F387-V612 HydrophobicContact CZ-CB 4.32Å; F387-V612 HydrophobicContact CZ-CG1 3.89Å; F387-V612 HydrophobicContact CZ-CG2 4.42Å; I582-V612 HydrophobicContact CD1-CG2 4Å; I582-V612 HydrophobicContact CG1-CG2 3.97Å; I582-V612 HydrophobicContact CG2-CG2 3.78Å; A608-V612 WeakPolarHBondContact O-CG2 3.2Å; A608-V612 PolarHBondContact O-N 3.41Å; V609-V612 PolarHBondContact O-N 3.3Å; V612-S614 VanDerWaalsContact C-N 3.31Å; V612-S614 PolarHBondContact O-N 3.22Å; V612-I615 PolarHBondContact O-N 2.78Å; V612-R621 WeakPolarHBondContact O-CG 3.43Å; V612-V624 HydrophobicContact CG1-CG1 4.3Å; V612-V624 HydrophobicContact CG2-CG1 4.02Å; V612-K625 HydrophobicContact CG1-CG 3.77Å
613	E	98.8	Very high	98.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-70.4	-28	-176.6	-164.7	56.1	-130.5	0	0	113.1	R329 L332 W357 Y388 V609 A610 F611 R621 K625	R329-E613 WeakPolarHBondContact CD-O 3.5Å; R329-E613 HydrophobicContact CG-CG 4.37Å; R329-E613 WeakPolarHBondContact CG-O 3.46Å; R329-E613 IonicContact CZ-OE1 3.18Å; R329-E613 VanDerWaalsContact CZ-OE1 3.28Å; R329-E613 PolarHBondContact NE-O 3.39Å; R329-E613 IonicContact NE-OE1 2.69Å; R329-E613 PolarHBondContact NE-OE1 3.2Å; R329-E613 IonicContact NH2-OE1 2.88Å; R329-E613 PolarHBondContact NH2-OE1 3.48Å; L332-E613 HydrophobicContact CD1-CB 4.06Å; L332-E613 HydrophobicContact CD1-CG 3.86Å; W357-E613 HydrophobicContact CH2-CG 4.39Å; W357-E613 HydrophobicContact CZ3-CG 4.37Å; Y388-E613 WeakPolarHBondContact CE2-OE2 3.49Å; Y388-E613 WeakPolarHBondContact OH-CB 3.45Å; Y388-E613 VanDerWaalsContact OH-CD 3.27Å; Y388-E613 WeakPolarHBondContact OH-CG 3.32Å; Y388-E613 PolarHBondContact OH-OE2 3.17Å; V609-E613 PolarHBondContact O-N 3.08Å; A610-E613 PolarHBondContact O-N 2.95Å; F611-E613 PolarHBondContact O-N 3.49Å; E613-R621 WeakPolarHBondContact O-CD 3.41Å; E613-R621 WeakPolarHBondContact OE1-CD 3.35Å; E613-R621 IonicContact OE1-NE 2.73Å; E613-R621 PolarHBondContact OE1-NE 3.16Å; E613-K625 IonicContact OE1-NZ 3.26Å; E613-K625 PolarHBondContact OE1-NZ 3.39Å; E613-K625 WeakPolarHBondContact OE2-CE 3.32Å; E613-K625 IonicContact OE2-NZ 2.76Å; E613-K625 PolarHBondContact OE2-NZ 3.23Å
614	S	98.5	Very high	98.4	Very high	18 Å²	18	32.6 Å²	32.6	13%	0.126	17%	0.174	C	C	.	.	H	α-helix	trans	-87.2	-4.5	-179.4	64.3	0	0	0	0	114.7	R329 G333 A610 F611 V612 P616	R329-S614 VanDerWaalsContact O-CB 3.25Å; R329-S614 WeakPolarHBondContact O-CB 3.47Å; G333-S614 WeakPolarHBondContact CA-OG 3.28Å; A610-S614 WeakPolarHBondContact O-CB 3.26Å; A610-S614 PolarHBondContact O-N 3.16Å; A610-S614 PolarHBondContact O-OG 2.88Å; F611-S614 PolarHBondContact O-N 3.36Å; F611-S614 PolarHBondContact O-OG 2.79Å; V612-S614 VanDerWaalsContact C-N 3.31Å; V612-S614 PolarHBondContact O-N 3.22Å; S614-P616 WeakPolarHBondContact O-CD 3.36Å; S614-P616 VanDerWaalsContact O-N 3.08Å
615	I	98.7	Very high	98.4	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.015	17%	0.174	C	C	.	.			trans	-49.7	119.5	170.2	-71.3	172.6	0	0	0	108.6	W598 F611 V612 F617 T620 R621 V624	W598-I615 HydrophobicContact CE3-CG1 4.15Å; W598-I615 HydrophobicContact CE3-CG2 4.17Å; W598-I615 HydrophobicContact CH2-CG2 3.76Å; W598-I615 HydrophobicContact CZ2-CG2 4.32Å; W598-I615 HydrophobicContact CZ3-CD1 4.46Å; W598-I615 HydrophobicContact CZ3-CG1 4.25Å; W598-I615 HydrophobicContact CZ3-CG2 3.67Å; F611-I615 HydrophobicContact CE1-CG1 4.46Å; F611-I615 WeakPolarHBondContact O-CG1 3.33Å; F611-I615 PolarHBondContact O-N 2.94Å; V612-I615 PolarHBondContact O-N 2.78Å; I615-F617 VanDerWaalsContact C-N 3.32Å; I615-F617 PolarHBondContact O-N 3.2Å; I615-T620 HydrophobicContact CG2-CG2 4.28Å; I615-R621 HydrophobicContact CB-CB 4.04Å; I615-R621 HydrophobicContact CG2-CB 4.09Å; I615-R621 PolarHBondContact O-NH1 3.19Å; I615-V624 HydrophobicContact CD1-CB 4.49Å; I615-V624 HydrophobicContact CD1-CG2 4.06Å
616	P	97.3	Very high	98.4	Very high	45 Å²	45	29.5 Å²	29.5	29%	0.292	16%	0.163	S	C	.	.	S	Bend	trans	-73.6	-24.9	-168.8	26.7	-34.8	0	0	0	112.9	W598 S614	W598-P616 HydrophobicContact CZ2-CG 4.12Å; W598-P616 VanDerWaalsContact NE1-CG 3.29Å; S614-P616 WeakPolarHBondContact O-CD 3.36Å; S614-P616 VanDerWaalsContact O-N 3.08Å
617	F	97.5	Very high	98.5	Very high	87 Å²	87	28.9 Å²	28.9	38%	0.382	16%	0.16	S	C	.	.			trans	-85.7	117.4	178.5	-65.5	-2.5	0	0	0	109.5	R594 W598 I615 E619 T620 R621	R594-F617 HydrophobicContact CG-CE2 4.3Å; W598-F617 HydrophobicContact CH2-CD2 4.15Å; W598-F617 HydrophobicContact CH2-CG 4.44Å; W598-F617 HydrophobicContact CZ2-CB 4.41Å; W598-F617 HydrophobicContact CZ2-CD1 4.47Å; W598-F617 AromaticContact CZ2-CD2 3.76Å; W598-F617 HydrophobicContact CZ2-CD2 3.76Å; W598-F617 HydrophobicContact CZ2-CE2 4.1Å; W598-F617 AromaticContact CZ2-CG 3.96Å; W598-F617 HydrophobicContact CZ2-CG 3.96Å; I615-F617 VanDerWaalsContact C-N 3.32Å; I615-F617 PolarHBondContact O-N 3.2Å; F617-E619 VanDerWaalsContact C-N 3.3Å; F617-E619 PolarHBondContact O-N 3.29Å; F617-T620 PolarHBondContact O-N 3.13Å; F617-R621 WeakPolarHBondContact O-CB 3.39Å; F617-R621 PolarHBondContact O-N 2.87Å
618	S	97	Very high	98.5	Very high	88 Å²	88	26.1 Å²	26.1	62%	0.615	15%	0.146	S	C	*	.	H	α-helix	trans	-60.5	-39.2	-178	49.1	0	0	0	0	112.7	R621 G622	S618-R621 PolarHBondContact O-N 3.41Å; S618-G622 PolarHBondContact O-N 3.45Å
619	E	96.9	Very high	98.5	Very high	139 Å²	139	26.3 Å²	26.3	65%	0.65	15%	0.147	S	C	*	.	H	α-helix	trans	-58	-56.6	175.2	-174.2	-171.1	143.6	0	0	110.7	N589 F617 R621 G622 Y623	N589-E619 PolarHBondContact ND2-OE1 2.97Å; F617-E619 VanDerWaalsContact C-N 3.3Å; F617-E619 PolarHBondContact O-N 3.29Å; E619-R621 VanDerWaalsContact C-N 3.31Å; E619-R621 PolarHBondContact O-N 3.41Å; E619-G622 PolarHBondContact O-N 3.15Å; E619-Y623 WeakPolarHBondContact O-CB 3.38Å; E619-Y623 PolarHBondContact O-N 3.17Å
620	T	98.6	Very high	98.5	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.012	15%	0.151	C	C	.	.	H	α-helix	trans	-63.7	-36.7	-178.7	-44	0	0	0	0	112.3	A586 N589 A590 W598 I615 F617 Y623 V624	A586-T620 HydrophobicContact CB-CG2 4.15Å; N589-T620 HydrophobicContact CB-CG2 4.32Å; N589-T620 VanDerWaalsContact OD1-CA 3.27Å; N589-T620 WeakPolarHBondContact OD1-CA 3.26Å; N589-T620 VanDerWaalsContact OD1-CB 3.28Å; N589-T620 WeakPolarHBondContact OD1-CB 3.42Å; N589-T620 WeakPolarHBondContact OD1-CG2 3.29Å; N589-T620 PolarHBondContact OD1-OG1 2.63Å; A590-T620 HydrophobicContact CB-CG2 4Å; W598-T620 HydrophobicContact CH2-CG2 3.84Å; W598-T620 HydrophobicContact CZ3-CG2 3.87Å; I615-T620 HydrophobicContact CG2-CG2 4.28Å; F617-T620 PolarHBondContact O-N 3.13Å; T620-Y623 WeakPolarHBondContact O-CB 3.39Å; T620-Y623 PolarHBondContact O-N 3.15Å; T620-V624 HydrophobicContact CG2-CG2 4.46Å; T620-V624 WeakPolarHBondContact O-CG2 3.48Å; T620-V624 PolarHBondContact O-N 3.44Å
621	R	98.8	Very high	98.5	Very high	30 Å²	30	27.2 Å²	27.2	11%	0.113	15%	0.149	C	C	.	.	H	α-helix	trans	-62	-47.1	175.1	-178.3	166.4	69.4	-100.9	-1.6	111.6	V612 E613 I615 F617 S618 E619 Y623 K625	V612-R621 WeakPolarHBondContact O-CG 3.43Å; E613-R621 WeakPolarHBondContact O-CD 3.41Å; E613-R621 WeakPolarHBondContact OE1-CD 3.35Å; E613-R621 IonicContact OE1-NE 2.73Å; E613-R621 PolarHBondContact OE1-NE 3.16Å; I615-R621 HydrophobicContact CB-CB 4.04Å; I615-R621 HydrophobicContact CG2-CB 4.09Å; I615-R621 PolarHBondContact O-NH1 3.19Å; F617-R621 WeakPolarHBondContact O-CB 3.39Å; F617-R621 PolarHBondContact O-N 2.87Å; S618-R621 PolarHBondContact O-N 3.41Å; E619-R621 VanDerWaalsContact C-N 3.31Å; E619-R621 PolarHBondContact O-N 3.41Å; R621-Y623 VanDerWaalsContact C-N 3.34Å; R621-K625 WeakPolarHBondContact O-CG 3.29Å; R621-K625 PolarHBondContact O-N 2.78Å
622	G	98.6	Very high	98.5	Very high	29 Å²	29	27.1 Å²	27.1	30%	0.299	15%	0.149	S	C	.	.	H	α-helix	trans	-63.5	-41.3	174.8	0	0	0	0	0	112.1	S618 E619 K625 N626	S618-G622 PolarHBondContact O-N 3.45Å; E619-G622 PolarHBondContact O-N 3.15Å; G622-K625 PolarHBondContact O-N 3.49Å; G622-N626 WeakPolarHBondContact O-CB 3.4Å; G622-N626 VanDerWaalsContact O-CG 3.3Å; G622-N626 PolarHBondContact O-N 2.92Å
623	Y	98.8	Very high	98.5	Very high	7 Å²	7	27.4 Å²	27.4	3%	0.027	15%	0.15	C	C	.	.	H	α-helix	trans	-56.8	-53	177.6	-175.7	-83.2	0	0	0	112	I510 Q513 E514 S585 Y588 N589 E619 T620 R621 K625 N626 V627	I510-Y623 HydrophobicContact CD1-CE1 3.95Å; I510-Y623 WeakPolarHBondContact CD1-OH 3.5Å; Q513-Y623 HydrophobicContact CB-CE2 4.43Å; Q513-Y623 HydrophobicContact CG-CD2 3.56Å; Q513-Y623 HydrophobicContact CG-CE2 3.49Å; Q513-Y623 VanDerWaalsContact CG-CE2 3.49Å; Q513-Y623 HydrophobicContact CG-CG 4.31Å; E514-Y623 HydrophobicContact CG-CE2 4.5Å; E514-Y623 WeakPolarHBondContact OE1-CE2 3.38Å; E514-Y623 PolarHBondContact OE1-OH 3.04Å; S585-Y623 WeakPolarHBondContact O-CE1 3.4Å; Y588-Y623 WeakPolarHBondContact CD1-OH 3.44Å; N589-Y623 HydrophobicContact CB-CD1 3.89Å; N589-Y623 HydrophobicContact CB-CD2 4.1Å; N589-Y623 HydrophobicContact CB-CE1 4.06Å; N589-Y623 HydrophobicContact CB-CE2 4.24Å; N589-Y623 HydrophobicContact CB-CG 3.92Å; E619-Y623 WeakPolarHBondContact O-CB 3.38Å; E619-Y623 PolarHBondContact O-N 3.17Å; T620-Y623 WeakPolarHBondContact O-CB 3.39Å; T620-Y623 PolarHBondContact O-N 3.15Å; R621-Y623 VanDerWaalsContact C-N 3.34Å; Y623-K625 PolarHBondContact O-N 3.36Å; Y623-N626 PolarHBondContact O-N 2.93Å; Y623-V627 HydrophobicContact CD1-CG2 3.98Å; Y623-V627 HydrophobicContact CE1-CG2 3.65Å; Y623-V627 WeakPolarHBondContact O-CG2 3.49Å; Y623-V627 PolarHBondContact O-N 2.87Å
624	V	98.9	Very high	98.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.1	-44.8	-179.2	174.3	0	0	0	0	111.1	I582 A586 V612 I615 T620 N626 V627 L628	I582-V624 HydrophobicContact CG2-CG1 4.28Å; A586-V624 HydrophobicContact CB-CG2 3.94Å; V612-V624 HydrophobicContact CG1-CG1 4.3Å; V612-V624 HydrophobicContact CG2-CG1 4.02Å; I615-V624 HydrophobicContact CD1-CB 4.49Å; I615-V624 HydrophobicContact CD1-CG2 4.06Å; T620-V624 HydrophobicContact CG2-CG2 4.46Å; T620-V624 WeakPolarHBondContact O-CG2 3.48Å; T620-V624 PolarHBondContact O-N 3.44Å; V624-N626 VanDerWaalsContact C-N 3.31Å; V624-N626 PolarHBondContact O-N 3.34Å; V624-V627 PolarHBondContact O-N 3.15Å; V624-L628 HydrophobicContact CG1-CD1 3.82Å; V624-L628 HydrophobicContact CG1-CG 4.35Å; V624-L628 VanDerWaalsContact O-CG 3.32Å; V624-L628 WeakPolarHBondContact O-CG 3.41Å; V624-L628 PolarHBondContact O-N 3.33Å
625	K	98.9	Very high	98.5	Very high	29 Å²	29	29.8 Å²	29.8	13%	0.126	16%	0.156	C	C	.	.	H	α-helix	trans	-57.1	-45.3	176	-72.2	177.5	179.1	-177.8	0	111.9	F387 V612 E613 R621 G622 Y623 A629	F387-K625 HydrophobicContact CB-CB 3.98Å; F387-K625 HydrophobicContact CB-CG 4.3Å; F387-K625 HydrophobicContact CD1-CB 4.4Å; F387-K625 HydrophobicContact CD1-CD 4.21Å; F387-K625 HydrophobicContact CD1-CG 3.82Å; F387-K625 HydrophobicContact CD2-CB 4.11Å; F387-K625 HydrophobicContact CD2-CG 4.17Å; F387-K625 HydrophobicContact CE1-CG 4.15Å; F387-K625 HydrophobicContact CE2-CG 4.49Å; F387-K625 HydrophobicContact CG-CB 3.9Å; F387-K625 HydrophobicContact CG-CD 4.48Å; F387-K625 HydrophobicContact CG-CG 3.82Å; F387-K625 HydrophobicContact CZ-CG 4.48Å; V612-K625 HydrophobicContact CG1-CG 3.77Å; E613-K625 IonicContact OE1-NZ 3.26Å; E613-K625 PolarHBondContact OE1-NZ 3.39Å; E613-K625 WeakPolarHBondContact OE2-CE 3.32Å; E613-K625 IonicContact OE2-NZ 2.76Å; E613-K625 PolarHBondContact OE2-NZ 3.23Å; R621-K625 WeakPolarHBondContact O-CG 3.29Å; R621-K625 PolarHBondContact O-N 2.78Å; G622-K625 PolarHBondContact O-N 3.49Å; Y623-K625 PolarHBondContact O-N 3.36Å; K625-A629 PolarHBondContact O-N 3.42Å
626	N	98.7	Very high	98.5	Very high	60 Å²	60	34.7 Å²	34.7	32%	0.321	18%	0.176	S	C	.	.	H	α-helix	trans	-63.6	-51.1	178.8	-75.5	-2.7	0	0	0	111.4	Q513 G622 Y623 V624 L628 A629 Y630	Q513-N626 PolarHBondContact OE1-ND2 3.44Å; G622-N626 WeakPolarHBondContact O-CB 3.4Å; G622-N626 VanDerWaalsContact O-CG 3.3Å; G622-N626 PolarHBondContact O-N 2.92Å; Y623-N626 PolarHBondContact O-N 2.93Å; V624-N626 VanDerWaalsContact C-N 3.31Å; V624-N626 PolarHBondContact O-N 3.34Å; N626-L628 VanDerWaalsContact C-N 3.34Å; N626-L628 PolarHBondContact O-N 3.27Å; N626-A629 PolarHBondContact O-N 3.06Å; N626-Y630 HydrophobicContact CB-CE1 4.33Å; N626-Y630 HydrophobicContact CB-CE2 4Å; N626-Y630 WeakPolarHBondContact O-CB 3.46Å; N626-Y630 WeakPolarHBondContact O-CD1 3.22Å; N626-Y630 PolarHBondContact O-N 3.47Å
627	V	98.9	Very high	98.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.4	-42	-176	173.3	0	0	0	0	111.6	Y506 A509 I510 Q513 S585 Y623 V624 Y630 D631	Y506-V627 HydrophobicContact CD2-CG1 4.04Å; Y506-V627 HydrophobicContact CE2-CG1 3.61Å; A509-V627 HydrophobicContact CB-CG1 4Å; I510-V627 HydrophobicContact CD1-CG1 3.79Å; I510-V627 HydrophobicContact CD1-CG2 4.02Å; I510-V627 HydrophobicContact CG1-CG1 4.11Å; Q513-V627 HydrophobicContact CB-CG2 3.85Å; Q513-V627 HydrophobicContact CG-CG2 3.98Å; S585-V627 WeakPolarHBondContact OG-CG1 3.38Å; Y623-V627 HydrophobicContact CD1-CG2 3.98Å; Y623-V627 HydrophobicContact CE1-CG2 3.65Å; Y623-V627 WeakPolarHBondContact O-CG2 3.49Å; Y623-V627 PolarHBondContact O-N 2.87Å; V624-V627 PolarHBondContact O-N 3.15Å; V627-Y630 PolarHBondContact O-N 3.19Å; V627-D631 WeakPolarHBondContact O-CB 3.1Å; V627-D631 PolarHBondContact O-N 3.5Å
628	L	98.9	Very high	98.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.7	-41.7	177.9	-65.9	172.8	0	0	0	112.3	F387 R581 I582 V624 N626 Y630 A632 L644 M645	F387-L628 HydrophobicContact CD2-CB 4.38Å; F387-L628 HydrophobicContact CE2-CB 4.33Å; F387-L628 HydrophobicContact CE2-CD1 3.81Å; R581-L628 HydrophobicContact CB-CD2 3.78Å; I582-L628 HydrophobicContact CG1-CD1 3.79Å; V624-L628 HydrophobicContact CG1-CD1 3.82Å; V624-L628 HydrophobicContact CG1-CG 4.35Å; V624-L628 VanDerWaalsContact O-CG 3.32Å; V624-L628 WeakPolarHBondContact O-CG 3.41Å; V624-L628 PolarHBondContact O-N 3.33Å; N626-L628 VanDerWaalsContact C-N 3.34Å; N626-L628 PolarHBondContact O-N 3.27Å; L628-Y630 VanDerWaalsContact C-N 3.34Å; L628-A632 PolarHBondContact O-N 3.36Å; L628-L644 HydrophobicContact CB-CD1 3.9Å; L628-M645 HydrophobicContact CD1-CE 4.34Å
629	A	98.8	Very high	98.7	Very high	5 Å²	5	32.6 Å²	32.6	4%	0.041	17%	0.172	C	C	.	.	H	α-helix	trans	-65.9	-38.3	173.9	0	0	0	0	0	111.9	M390 K625 N626 A632 Y633	M390-A629 HydrophobicContact CE-CB 4.46Å; M390-A629 HydrophobicContact SD-CB 4.06Å; K625-A629 PolarHBondContact O-N 3.42Å; N626-A629 PolarHBondContact O-N 3.06Å; A629-A632 WeakPolarHBondContact O-CB 3.48Å; A629-A632 PolarHBondContact O-N 3.12Å; A629-Y633 HydrophobicContact CB-CE2 4.24Å; A629-Y633 WeakPolarHBondContact O-CD2 3.23Å; A629-Y633 WeakPolarHBondContact O-CE2 3.3Å; A629-Y633 PolarHBondContact O-N 3.14Å; A629-Y633 VanDerWaalsContact O-N 3.11Å
630	Y	98.9	Very high	98.8	Very high	25 Å²	25	29.9 Å²	29.9	10%	0.098	16%	0.162	C	C	.	.	H	α-helix	trans	-68.7	-37.7	179.5	-64.6	-3.3	0	0	0	112.2	F485 R512 Q513 N626 V627 L628 A632 Y633 Y634	F485-Y630 HydrophobicContact CD1-CD1 4.4Å; F485-Y630 HydrophobicContact CD1-CG 4.38Å; F485-Y630 AromaticContact CE1-CD1 3.27Å; F485-Y630 HydrophobicContact CE1-CD1 3.27Å; F485-Y630 HydrophobicContact CE1-CD2 4.08Å; F485-Y630 AromaticContact CE1-CE1 3.61Å; F485-Y630 HydrophobicContact CE1-CE1 3.61Å; F485-Y630 HydrophobicContact CE1-CE2 4.36Å; F485-Y630 AromaticContact CE1-CG 3.54Å; F485-Y630 HydrophobicContact CE1-CG 3.54Å; F485-Y630 AromaticContact CZ-CD1 3.49Å; F485-Y630 HydrophobicContact CZ-CD1 3.49Å; F485-Y630 VanDerWaalsContact CZ-CD1 3.49Å; F485-Y630 AromaticContact CZ-CE1 3.56Å; F485-Y630 HydrophobicContact CZ-CE1 3.56Å; F485-Y630 HydrophobicContact CZ-CG 4.24Å; R512-Y630 HydrophobicContact CB-CD2 4.36Å; R512-Y630 HydrophobicContact CG-CD2 3.89Å; R512-Y630 HydrophobicContact CG-CE2 4.19Å; Q513-Y630 HydrophobicContact CB-CD2 4.19Å; Q513-Y630 HydrophobicContact CB-CE2 4.05Å; N626-Y630 HydrophobicContact CB-CE1 4.33Å; N626-Y630 HydrophobicContact CB-CE2 4Å; N626-Y630 WeakPolarHBondContact O-CB 3.46Å; N626-Y630 WeakPolarHBondContact O-CD1 3.22Å; N626-Y630 PolarHBondContact O-N 3.47Å; V627-Y630 PolarHBondContact O-N 3.19Å; L628-Y630 VanDerWaalsContact C-N 3.34Å; Y630-A632 VanDerWaalsContact C-N 3.32Å; Y630-A632 PolarHBondContact O-N 2.96Å; Y630-Y633 AromaticContact CD1-CD2 3.98Å; Y630-Y633 HydrophobicContact CD1-CD2 3.98Å; Y630-Y633 AromaticContact CD1-CE2 3.98Å; Y630-Y633 HydrophobicContact CD1-CE2 3.98Å; Y630-Y633 HydrophobicContact CE1-CE2 4.5Å; Y630-Y633 PolarHBondContact O-N 3.36Å; Y630-Y634 VanDerWaalsContact O-CD2 3.22Å; Y630-Y634 WeakPolarHBondContact O-CD2 3.42Å; Y630-Y634 PolarHBondContact O-N 2.99Å
631	D	98.9	Very high	98.7	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-62.3	-41.1	174.3	-169.2	10.1	0	0	0	111	S505 Y506 A509 R581 V627 Y633 Y634 R635	S505-D631 WeakPolarHBondContact CB-OD1 3.46Å; S505-D631 PolarHBondContact OG-OD1 3.47Å; Y506-D631 PolarHBondContact N-OD1 2.97Å; A509-D631 HydrophobicContact CB-CB 3.86Å; R581-D631 WeakPolarHBondContact CD-OD2 3.24Å; R581-D631 IonicContact CZ-OD2 2.74Å; R581-D631 IonicContact NE-OD2 2.74Å; R581-D631 IonicContact NH1-OD2 2.82Å; R581-D631 PolarHBondContact NH1-OD2 3.45Å; V627-D631 WeakPolarHBondContact O-CB 3.1Å; V627-D631 PolarHBondContact O-N 3.5Å; D631-Y633 PolarHBondContact O-N 3.25Å; D631-Y634 PolarHBondContact O-N 2.9Å; D631-R635 WeakPolarHBondContact O-CB 3.3Å; D631-R635 VanDerWaalsContact O-CG 3.28Å; D631-R635 WeakPolarHBondContact O-CG 3.44Å; D631-R635 PolarHBondContact O-N 2.99Å
632	A	98.9	Very high	98.7	Very high	1 Å²	1	34 Å²	34	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-60	-43.1	172.3	0	0	0	0	0	112.3	M390 L628 A629 Y630 R635 Y636 P642	M390-A632 HydrophobicContact CE-CB 4.11Å; M390-A632 HydrophobicContact SD-CB 4.02Å; L628-A632 PolarHBondContact O-N 3.36Å; A629-A632 WeakPolarHBondContact O-CB 3.48Å; A629-A632 PolarHBondContact O-N 3.12Å; Y630-A632 VanDerWaalsContact C-N 3.32Å; Y630-A632 PolarHBondContact O-N 2.96Å; A632-R635 PolarHBondContact O-N 3Å; A632-Y636 PolarHBondContact O-N 2.95Å; A632-P642 HydrophobicContact CB-CB 4.16Å; A632-P642 VanDerWaalsContact O-CB 3.26Å; A632-P642 WeakPolarHBondContact O-CB 3.34Å
633	Y	98.8	Very high	98.7	Very high	6 Å²	6	35.4 Å²	35.4	2%	0.024	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-42.6	175.2	-56.5	-42.7	0	0	0	112.5	R385 M390 L402 L481 F485 A629 Y630 D631 Y636 F637	R385-Y633 WeakPolarHBondContact CG-OH 3.36Å; M390-Y633 HydrophobicContact CE-CD1 3.83Å; M390-Y633 HydrophobicContact CE-CE1 3.15Å; M390-Y633 HydrophobicContact CE-CE2 4.47Å; L402-Y633 HydrophobicContact CD1-CD1 4.49Å; L402-Y633 HydrophobicContact CD2-CD1 3.48Å; L402-Y633 VanDerWaalsContact CD2-CD1 3.48Å; L402-Y633 HydrophobicContact CD2-CE1 3.34Å; L481-Y633 HydrophobicContact CD1-CD1 4.07Å; L481-Y633 HydrophobicContact CD1-CE1 3.97Å; F485-Y633 HydrophobicContact CD1-CD2 4.19Å; F485-Y633 AromaticContact CD2-CD2 3.68Å; F485-Y633 HydrophobicContact CD2-CD2 3.68Å; F485-Y633 HydrophobicContact CD2-CE2 4.47Å; F485-Y633 AromaticContact CD2-CG 3.99Å; F485-Y633 HydrophobicContact CD2-CG 3.99Å; F485-Y633 AromaticContact CE1-CD2 3.8Å; F485-Y633 HydrophobicContact CE1-CD2 3.8Å; F485-Y633 HydrophobicContact CE1-CE2 4.42Å; F485-Y633 AromaticContact CE2-CD2 3.22Å; F485-Y633 HydrophobicContact CE2-CD2 3.22Å; F485-Y633 AromaticContact CE2-CE2 3.62Å; F485-Y633 HydrophobicContact CE2-CE2 3.62Å; F485-Y633 AromaticContact CE2-CG 3.95Å; F485-Y633 HydrophobicContact CE2-CG 3.95Å; F485-Y633 HydrophobicContact CG-CD2 4.16Å; F485-Y633 HydrophobicContact CG-CG 4.46Å; F485-Y633 AromaticContact CZ-CD2 3.29Å; F485-Y633 HydrophobicContact CZ-CD2 3.29Å; F485-Y633 AromaticContact CZ-CE2 3.6Å; F485-Y633 HydrophobicContact CZ-CE2 3.6Å; F485-Y633 HydrophobicContact CZ-CG 4.37Å; A629-Y633 HydrophobicContact CB-CE2 4.24Å; A629-Y633 WeakPolarHBondContact O-CD2 3.23Å; A629-Y633 WeakPolarHBondContact O-CE2 3.3Å; A629-Y633 PolarHBondContact O-N 3.14Å; A629-Y633 VanDerWaalsContact O-N 3.11Å; Y630-Y633 AromaticContact CD1-CD2 3.98Å; Y630-Y633 HydrophobicContact CD1-CD2 3.98Å; Y630-Y633 AromaticContact CD1-CE2 3.98Å; Y630-Y633 HydrophobicContact CD1-CE2 3.98Å; Y630-Y633 HydrophobicContact CE1-CE2 4.5Å; Y630-Y633 PolarHBondContact O-N 3.36Å; D631-Y633 PolarHBondContact O-N 3.25Å; Y633-Y636 WeakPolarHBondContact O-CB 3.29Å; Y633-Y636 PolarHBondContact O-N 3.19Å; Y633-F637 WeakPolarHBondContact O-CD2 3.4Å; Y633-F637 PolarHBondContact O-N 2.86Å
634	Y	98.9	Very high	98.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.4	-42.2	177.2	-80	-56.6	0	0	0	112.2	F485 P486 L487 M508 A509 R512 W517 Y630 D631 Y636 F637 M638	F485-Y634 HydrophobicContact CB-CE1 4.06Å; F485-Y634 HydrophobicContact CD1-CE2 4.37Å; F485-Y634 WeakPolarHBondContact O-CE1 3.12Å; P486-Y634 WeakPolarHBondContact O-CE1 3.26Å; L487-Y634 HydrophobicContact CD2-CD1 4.15Å; M508-Y634 VanDerWaalsContact C-CE2 3.5Å; M508-Y634 HydrophobicContact CB-CD1 4.37Å; M508-Y634 HydrophobicContact CB-CD2 3.94Å; M508-Y634 HydrophobicContact CB-CE1 4.4Å; M508-Y634 HydrophobicContact CB-CE2 3.95Å; M508-Y634 HydrophobicContact CB-CG 4.18Å; M508-Y634 HydrophobicContact CE-CD1 3.91Å; M508-Y634 HydrophobicContact CE-CE1 3.86Å; M508-Y634 WeakPolarHBondContact O-CE2 3.46Å; A509-Y634 HydrophobicContact CB-CD2 4.12Å; A509-Y634 HydrophobicContact CB-CE2 4.46Å; R512-Y634 HydrophobicContact CB-CE2 3.87Å; R512-Y634 WeakPolarHBondContact CB-OH 3.42Å; R512-Y634 HydrophobicContact CG-CE2 4.24Å; R512-Y634 WeakPolarHBondContact CG-OH 3.38Å; W517-Y634 VanDerWaalsContact CE2-OH 3.25Å; W517-Y634 HydrophobicContact CZ2-CE1 4.3Å; W517-Y634 HydrophobicContact CZ2-CE2 4.44Å; W517-Y634 AromaticContact CZ2-CZ 3.72Å; W517-Y634 WeakPolarHBondContact CZ2-OH 3.36Å; W517-Y634 PolarHBondContact NE1-OH 3.34Å; Y630-Y634 VanDerWaalsContact O-CD2 3.22Å; Y630-Y634 WeakPolarHBondContact O-CD2 3.42Å; Y630-Y634 PolarHBondContact O-N 2.99Å; D631-Y634 PolarHBondContact O-N 2.9Å; Y634-Y636 VanDerWaalsContact C-N 3.32Å; Y634-Y636 PolarHBondContact O-N 2.72Å; Y634-F637 PolarHBondContact O-N 3.18Å; Y634-M638 WeakPolarHBondContact O-CB 3.49Å; Y634-M638 WeakPolarHBondContact O-CG 3.25Å; Y634-M638 PolarHBondContact O-N 3.31Å
635	R	98.8	Very high	98.7	Very high	68 Å²	68	35.3 Å²	35.3	26%	0.257	19%	0.185	S	C	.	.	H	α-helix	trans	-55.8	-47.5	173	-74.4	173.3	58.9	70.9	4.5	111.2	D631 A632 F637 M638 G639 D640 K641	D631-R635 WeakPolarHBondContact O-CB 3.3Å; D631-R635 VanDerWaalsContact O-CG 3.28Å; D631-R635 WeakPolarHBondContact O-CG 3.44Å; D631-R635 PolarHBondContact O-N 2.99Å; A632-R635 PolarHBondContact O-N 3Å; R635-F637 PolarHBondContact O-N 2.95Å; R635-M638 CarbonylContact O-C 3.52Å; R635-M638 PolarHBondContact O-N 2.87Å; R635-M638 VanDerWaalsContact O-N 3.11Å; R635-G639 PolarHBondContact O-N 3.28Å; R635-G639 VanDerWaalsContact O-N 3.12Å; R635-D640 CarbonylContact C-O 3.45Å; R635-D640 HydrophobicContact CB-CB 3.91Å; R635-D640 HydrophobicContact CG-CB 4.38Å; R635-D640 IonicContact NH1-OD2 2.84Å; R635-D640 WeakPolarHBondContact O-CA 3.46Å; R635-D640 WeakPolarHBondContact O-CB 3.37Å; R635-D640 PolarHBondContact O-N 3.35Å; R635-K641 VanDerWaalsContact CZ-O 3.28Å; R635-K641 PolarHBondContact NE-O 3.4Å; R635-K641 PolarHBondContact NH2-O 3.28Å
636	Y	98.8	Very high	98.6	Very high	107 Å²	107	36.4 Å²	36.4	42%	0.42	20%	0.196	S	C	.	.	H	α-helix	trans	-56	-50.2	176.1	176.2	-93.1	0	0	0	112.4	L402 I404 A632 Y633 Y634 M638 G639 P642	L402-Y636 HydrophobicContact CD1-CD1 3.9Å; L402-Y636 HydrophobicContact CD1-CD2 3.44Å; L402-Y636 VanDerWaalsContact CD1-CD2 3.44Å; L402-Y636 HydrophobicContact CD1-CE1 4.5Å; L402-Y636 HydrophobicContact CD1-CE2 4.05Å; L402-Y636 HydrophobicContact CD1-CG 3.32Å; I404-Y636 HydrophobicContact CD1-CD1 4Å; I404-Y636 HydrophobicContact CD1-CE1 3.19Å; A632-Y636 PolarHBondContact O-N 2.95Å; Y633-Y636 WeakPolarHBondContact O-CB 3.29Å; Y633-Y636 PolarHBondContact O-N 3.19Å; Y634-Y636 VanDerWaalsContact C-N 3.32Å; Y634-Y636 PolarHBondContact O-N 2.72Å; Y636-M638 PolarHBondContact O-N 3.45Å; Y636-G639 PolarHBondContact O-N 3.05Å; Y636-P642 HydrophobicContact CD2-CG 4.45Å
637	F	98.7	Very high	98.6	Very high	47 Å²	47	37.8 Å²	37.8	21%	0.206	22%	0.216	C	C	.	.	H	α-helix	trans	-70.3	-18	179.4	-70	-58.9	0	0	0	114	I404 L481 E482 F485 L487 Y633 Y634 R635 G639	I404-F637 HydrophobicContact CD1-CE1 4.17Å; I404-F637 HydrophobicContact CD1-CZ 4.11Å; L481-F637 VanDerWaalsContact C-CZ 3.48Å; L481-F637 HydrophobicContact CB-CE2 4.05Å; L481-F637 HydrophobicContact CB-CZ 3.81Å; L481-F637 WeakPolarHBondContact O-CE2 3.36Å; E482-F637 VanDerWaalsContact CA-CZ 3.42Å; E482-F637 HydrophobicContact CB-CE1 3.92Å; E482-F637 HydrophobicContact CB-CZ 3.96Å; E482-F637 HydrophobicContact CG-CE1 4.06Å; E482-F637 HydrophobicContact CG-CZ 4.5Å; E482-F637 VanDerWaalsContact N-CZ 3.33Å; F485-F637 HydrophobicContact CB-CD2 4.24Å; F485-F637 HydrophobicContact CB-CE2 4.11Å; L487-F637 HydrophobicContact CD2-CB 4.32Å; Y633-F637 WeakPolarHBondContact O-CD2 3.4Å; Y633-F637 PolarHBondContact O-N 2.86Å; Y634-F637 PolarHBondContact O-N 3.18Å; R635-F637 PolarHBondContact O-N 2.95Å; F637-G639 VanDerWaalsContact C-N 3.35Å
638	M	98.6	Very high	98.6	Very high	57 Å²	57	43 Å²	43	28%	0.281	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-3	170.9	-68.9	175.3	-177.2	0	0	113.3	L487 Q504 M508 Y634 R635 Y636	L487-M638 HydrophobicContact CD2-CE 3.92Å; L487-M638 HydrophobicContact CD2-CG 3.99Å; Q504-M638 HydrophobicContact CG-CE 4.27Å; M508-M638 HydrophobicContact CE-CE 3.9Å; M508-M638 HydrophobicContact SD-CE 3.22Å; M508-M638 WeakPolarHBondContact SD-CE 3.39Å; Y634-M638 WeakPolarHBondContact O-CB 3.49Å; Y634-M638 WeakPolarHBondContact O-CG 3.25Å; Y634-M638 PolarHBondContact O-N 3.31Å; R635-M638 CarbonylContact O-C 3.52Å; R635-M638 PolarHBondContact O-N 2.87Å; R635-M638 VanDerWaalsContact O-N 3.11Å; Y636-M638 PolarHBondContact O-N 3.45Å
639	G	98.5	Very high	98.6	Very high	71 Å²	71	43.1 Å²	43.1	73%	0.732	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.4	11.2	-179.5	0	0	0	0	0	115	R635 Y636 F637	R635-G639 PolarHBondContact O-N 3.28Å; R635-G639 VanDerWaalsContact O-N 3.12Å; Y636-G639 PolarHBondContact O-N 3.05Å; F637-G639 VanDerWaalsContact C-N 3.35Å
640	D	98.3	Very high	98.6	Very high	82 Å²	82	46.1 Å²	46.1	44%	0.439	26%	0.259	S	S	.	.	S	Bend	trans	-97.6	155.6	178.6	-70.4	-37.1	0	0	0	112.6	R635 P642	R635-D640 CarbonylContact C-O 3.45Å; R635-D640 HydrophobicContact CB-CB 3.91Å; R635-D640 HydrophobicContact CG-CB 4.38Å; R635-D640 IonicContact NH1-OD2 2.84Å; R635-D640 WeakPolarHBondContact O-CA 3.46Å; R635-D640 WeakPolarHBondContact O-CB 3.37Å; R635-D640 PolarHBondContact O-N 3.35Å; D640-P642 WeakPolarHBondContact O-CD 3.35Å
641	K	97.8	Very high	98.5	Very high	105 Å²	105	48 Å²	48	46%	0.457	29%	0.286	S	S	.	.			trans	-62.9	124.2	175.7	-167.7	178.1	-177.2	73.9	0	111.6	E399 R635 T643	E399-K641 IonicContact OE1-NZ 3.14Å; E399-K641 PolarHBondContact OE1-NZ 3.22Å; E399-K641 IonicContact OE2-NZ 2.8Å; E399-K641 PolarHBondContact OE2-NZ 2.68Å; R635-K641 VanDerWaalsContact CZ-O 3.28Å; R635-K641 PolarHBondContact NE-O 3.4Å; R635-K641 PolarHBondContact NH2-O 3.28Å; K641-T643 PolarHBondContact O-N 3.22Å
642	P	98.1	Very high	98.5	Very high	14 Å²	14	53.6 Å²	53.6	9%	0.091	31%	0.307	C	S	.	.			trans	-84.7	37.6	-174.3	36.1	-38.2	0	0	0	113.8	L402 A632 Y636 D640 L644	L402-P642 HydrophobicContact CD1-CB 4.37Å; L402-P642 HydrophobicContact CD1-CG 4.23Å; A632-P642 HydrophobicContact CB-CB 4.16Å; A632-P642 VanDerWaalsContact O-CB 3.26Å; A632-P642 WeakPolarHBondContact O-CB 3.34Å; Y636-P642 HydrophobicContact CD2-CG 4.45Å; D640-P642 WeakPolarHBondContact O-CD 3.35Å; P642-L644 PolarHBondContact O-N 3.13Å
643	T	98.2	Very high	98.5	Very high	59 Å²	59	62.2 Å²	62.2	36%	0.362	34%	0.339	S	S	.	.			trans	-60.3	129.9	173.3	-51.5	0	0	0	0	109.8	K641 M645	K641-T643 PolarHBondContact O-N 3.22Å; T643-M645 PolarHBondContact O-N 2.95Å
644	L	98.7	Very high	98.4	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.01	34%	0.339	C	S	.	.	S	Bend	trans	-61.3	-50.4	-170.7	-177.8	68.3	0	0	0	112.6	F387 M390 V391 R581 L628 P642	F387-L644 HydrophobicContact CD2-CD1 4.33Å; F387-L644 HydrophobicContact CD2-CD2 4.13Å; F387-L644 HydrophobicContact CE2-CD2 3.92Å; M390-L644 HydrophobicContact CB-CB 4.1Å; M390-L644 HydrophobicContact CB-CD1 4.15Å; M390-L644 HydrophobicContact CB-CD2 4.04Å; M390-L644 HydrophobicContact CB-CG 4.33Å; M390-L644 HydrophobicContact SD-CD1 3.9Å; V391-L644 HydrophobicContact CB-CD2 4.32Å; V391-L644 HydrophobicContact CG2-CD2 3.38Å; R581-L644 PolarHBondContact NH1-O 3.31Å; R581-L644 PolarHBondContact NH2-O 3.1Å; L628-L644 HydrophobicContact CB-CD1 3.9Å; P642-L644 PolarHBondContact O-N 3.13Å
645	M	98.7	Very high	98.4	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.01	36%	0.356	C	S	.	.	S	Bend	trans	-120	143.1	-179.4	-57.9	-170.6	-169	0	0	111.1	F387 Q394 I582 A608 L628 T643 E649 W650	F387-M645 HydrophobicContact CE2-CE 4.2Å; F387-M645 HydrophobicContact CZ-CE 4.1Å; Q394-M645 PolarHBondContact NE2-O 3.23Å; I582-M645 HydrophobicContact CD1-CE 4.01Å; I582-M645 HydrophobicContact CD1-SD 3.97Å; A608-M645 HydrophobicContact CB-CE 4.24Å; A608-M645 HydrophobicContact CB-SD 3.66Å; L628-M645 HydrophobicContact CD1-CE 4.34Å; T643-M645 PolarHBondContact O-N 2.95Å; M645-E649 HydrophobicContact CB-CB 4.12Å; M645-W650 HydrophobicContact CB-CB 4.18Å; M645-W650 HydrophobicContact CB-CE3 4.15Å; M645-W650 HydrophobicContact CG-CE3 4.21Å; M645-W650 HydrophobicContact SD-CE3 3.71Å; M645-W650 HydrophobicContact SD-CZ3 4.24Å
646	S	98.5	Very high	98.4	Very high	52 Å²	52	65.1 Å²	65.1	36%	0.364	36%	0.361	S	S	.	.			trans	-62.9	161	167	65	0	0	0	0	110.8	T648 E649 W650	S646-T648 PolarHBondContact O-N 3.4Å; S646-E649 WeakPolarHBondContact CB-OE2 3Å; S646-E649 PolarHBondContact N-OE2 3.29Å; S646-E649 PolarHBondContact O-N 2.8Å; S646-E649 WeakPolarHBondContact OG-CB 3.48Å; S646-E649 VanDerWaalsContact OG-CD 3.25Å; S646-E649 VanDerWaalsContact OG-CG 3.24Å; S646-E649 WeakPolarHBondContact OG-CG 3.4Å; S646-E649 PolarHBondContact OG-N 3.26Å; S646-E649 PolarHBondContact OG-OE2 3.43Å; S646-W650 WeakPolarHBondContact O-CB 3.47Å; S646-W650 PolarHBondContact O-N 2.83Å
647	A	98.1	Very high	98.4	Very high	89 Å²	89	62.8 Å²	62.8	74%	0.736	36%	0.358	S	S	*	.	H	α-helix	trans	-56	-40	175.9	0	0	0	0	0	112	W650 G651	A647-W650 PolarHBondContact O-N 3.3Å; A647-G651 PolarHBondContact O-N 3.13Å
648	T	98.3	Very high	98.4	Very high	109 Å²	109	63.7 Å²	63.7	67%	0.669	37%	0.367	S	S	*	.	H	α-helix	trans	-65.4	-43.1	177.7	-53.4	0	0	0	0	112.3	S646 R652	S646-T648 PolarHBondContact O-N 3.4Å; T648-R652 WeakPolarHBondContact O-CB 3.16Å; T648-R652 PolarHBondContact O-N 3.43Å
649	E	98.8	Very high	98.3	Very high	4 Å²	4	64.1 Å²	64.1	2%	0.019	37%	0.372	C	S	.	.	H	α-helix	trans	-68.2	-43.5	177.3	-70.7	161.5	142.8	0	0	111.2	R581 M645 S646 Y654	R581-E649 WeakPolarHBondContact CB-OE1 3.33Å; R581-E649 VanDerWaalsContact CG-OE1 3.3Å; R581-E649 WeakPolarHBondContact CG-OE1 3.49Å; R581-E649 IonicContact CZ-OE1 3.29Å; R581-E649 IonicContact CZ-OE2 2.91Å; R581-E649 PolarHBondContact N-OE1 3.36Å; R581-E649 IonicContact NE-OE1 2.86Å; R581-E649 PolarHBondContact NE-OE1 2.9Å; R581-E649 IonicContact NE-OE2 3.72Å; R581-E649 PolarHBondContact NE-OE2 3.46Å; R581-E649 IonicContact NH2-OE1 3.14Å; R581-E649 IonicContact NH2-OE2 2.66Å; R581-E649 PolarHBondContact NH2-OE2 3.17Å; M645-E649 HydrophobicContact CB-CB 4.12Å; S646-E649 WeakPolarHBondContact CB-OE2 3Å; S646-E649 PolarHBondContact N-OE2 3.29Å; S646-E649 PolarHBondContact O-N 2.8Å; S646-E649 WeakPolarHBondContact OG-CB 3.48Å; S646-E649 VanDerWaalsContact OG-CD 3.25Å; S646-E649 VanDerWaalsContact OG-CG 3.24Å; S646-E649 WeakPolarHBondContact OG-CG 3.4Å; S646-E649 PolarHBondContact OG-N 3.26Å; S646-E649 PolarHBondContact OG-OE2 3.43Å; E649-Y654 VanDerWaalsContact O-CE2 3.3Å; E649-Y654 WeakPolarHBondContact O-CE2 3.34Å; E649-Y654 PolarHBondContact O-OH 2.92Å
650	W	98.6	Very high	98.3	Very high	68 Å²	68	63.7 Å²	63.7	26%	0.258	35%	0.348	S	S	.	.	H	α-helix	trans	-66.4	-45	-177.1	-174.2	-100.6	0	0	0	112.8	V391 Q394 R395 V609 M645 S646 A647	V391-W650 HydrophobicContact CG1-CH2 3.93Å; V391-W650 HydrophobicContact CG1-CZ3 4.18Å; Q394-W650 HydrophobicContact CB-CH2 4.33Å; Q394-W650 HydrophobicContact CB-CZ3 4.33Å; Q394-W650 HydrophobicContact CG-CD2 3.95Å; Q394-W650 HydrophobicContact CG-CE3 3.92Å; Q394-W650 HydrophobicContact CG-CH2 4.18Å; Q394-W650 HydrophobicContact CG-CZ2 4.22Å; Q394-W650 HydrophobicContact CG-CZ3 4.03Å; R395-W650 HydrophobicContact CB-CH2 4.27Å; R395-W650 HydrophobicContact CB-CZ2 4.17Å; V609-W650 HydrophobicContact CG2-CH2 4.08Å; V609-W650 HydrophobicContact CG2-CZ3 3.86Å; M645-W650 HydrophobicContact CB-CB 4.18Å; M645-W650 HydrophobicContact CB-CE3 4.15Å; M645-W650 HydrophobicContact CG-CE3 4.21Å; M645-W650 HydrophobicContact SD-CE3 3.71Å; M645-W650 HydrophobicContact SD-CZ3 4.24Å; S646-W650 WeakPolarHBondContact O-CB 3.47Å; S646-W650 PolarHBondContact O-N 2.83Å; A647-W650 PolarHBondContact O-N 3.3Å
651	G	98	Very high	98.3	Very high	64 Å²	64	62.4 Å²	62.4	66%	0.66	34%	0.342	S	S	*	.	H	α-helix	trans	-87.3	-3.4	-176	0	0	0	0	0	115.3	A647	A647-G651 PolarHBondContact O-N 3.13Å
652	R	98.3	Very high	98.4	Very high	118 Å²	118	59.1 Å²	59.1	45%	0.445	33%	0.333	S	S	.	.	S	Bend	trans	-69.8	148.4	-179.3	169.8	173.9	-171.4	103.3	1.6	111.3	T648 Y654	T648-R652 WeakPolarHBondContact O-CB 3.16Å; T648-R652 PolarHBondContact O-N 3.43Å; R652-Y654 HydrophobicContact CB-CD2 4.35Å; R652-Y654 HydrophobicContact CB-CE2 3.65Å; R652-Y654 HydrophobicContact CG-CD2 4.19Å; R652-Y654 HydrophobicContact CG-CE2 3.82Å; R652-Y654 WeakPolarHBondContact O-CD2 3.17Å; R652-Y654 WeakPolarHBondContact O-CE2 3.29Å
653	R	98.3	Very high	98.4	Very high	182 Å²	182	62.8 Å²	62.8	69%	0.687	35%	0.353	S	S	*	.			trans	-81.4	131.4	164.1	-61.7	-164.2	-58.3	128.3	-5.4	110.7	G604	G604-R653 WeakPolarHBondContact O-CD 3.38Å; G604-R653 PolarHBondContact O-NH1 2.9Å
654	Y	98.4	Very high	98.4	Very high	5 Å²	5	63.2 Å²	63.2	2%	0.02	35%	0.352	C	S	.	.			trans	-108.5	0	-176.9	-71.3	-104.4	0	0	0	111.8	N580 I582 F583 S602 G604 R605 I606 A608 F611 E649 R652	N580-Y654 PolarHBondContact ND2-OH 3.44Å; I582-Y654 HydrophobicContact CB-CE1 4.45Å; I582-Y654 HydrophobicContact CD1-CE1 3.95Å; I582-Y654 HydrophobicContact CG2-CE1 4.41Å; F583-Y654 HydrophobicContact CD1-CE1 4.39Å; F583-Y654 AromaticContact CE1-CD1 3.33Å; F583-Y654 HydrophobicContact CE1-CD1 3.33Å; F583-Y654 AromaticContact CE1-CE1 3.43Å; F583-Y654 HydrophobicContact CE1-CE1 3.43Å; F583-Y654 VanDerWaalsContact CE1-CE1 3.43Å; F583-Y654 HydrophobicContact CE2-CD1 4.44Å; F583-Y654 HydrophobicContact CE2-CE1 4.06Å; F583-Y654 AromaticContact CZ-CD1 3.25Å; F583-Y654 HydrophobicContact CZ-CD1 3.25Å; F583-Y654 AromaticContact CZ-CE1 3.2Å; F583-Y654 HydrophobicContact CZ-CE1 3.2Å; F583-Y654 HydrophobicContact CZ-CG 4.26Å; S602-Y654 PolarHBondContact OG-OXT 2.78Å; S602-Y654 VanDerWaalsContact OG-OXT 3.13Å; G604-Y654 CarbonylContact C-O 3.59Å; G604-Y654 VanDerWaalsContact C-O 3.26Å; G604-Y654 VanDerWaalsContact CA-C 3.43Å; G604-Y654 WeakPolarHBondContact CA-O 3.27Å; G604-Y654 VanDerWaalsContact N-C 3.32Å; G604-Y654 PolarHBondContact N-O 3.08Å; G604-Y654 PolarHBondContact N-OXT 3.49Å; R605-Y654 PolarHBondContact N-O 3.14Å; R605-Y654 VanDerWaalsContact N-O 3.1Å; I606-Y654 WeakPolarHBondContact CG1-O 3.36Å; I606-Y654 PolarHBondContact N-O 3.12Å; I606-Y654 PolarHBondContact O-N 2.92Å; A608-Y654 VanDerWaalsContact CA-CE2 3.42Å; A608-Y654 HydrophobicContact CB-CD2 4.12Å; A608-Y654 HydrophobicContact CB-CE1 4.5Å; A608-Y654 HydrophobicContact CB-CE2 3.47Å; A608-Y654 VanDerWaalsContact CB-CE2 3.47Å; F611-Y654 HydrophobicContact CB-CD1 3.69Å; F611-Y654 HydrophobicContact CB-CG 3.83Å; F611-Y654 AromaticContact CD1-CD1 3.97Å; F611-Y654 HydrophobicContact CD1-CD1 3.97Å; F611-Y654 HydrophobicContact CD2-CD1 4.12Å; F611-Y654 HydrophobicContact CD2-CG 4.46Å; F611-Y654 AromaticContact CG-CD1 3.65Å; F611-Y654 HydrophobicContact CG-CD1 3.65Å; F611-Y654 HydrophobicContact CG-CG 4.17Å; E649-Y654 VanDerWaalsContact O-CE2 3.3Å; E649-Y654 WeakPolarHBondContact O-CE2 3.34Å; E649-Y654 PolarHBondContact O-OH 2.92Å; R652-Y654 HydrophobicContact CB-CD2 4.35Å; R652-Y654 HydrophobicContact CB-CE2 3.65Å; R652-Y654 HydrophobicContact CG-CD2 4.19Å; R652-Y654 HydrophobicContact CG-CE2 3.82Å; R652-Y654 WeakPolarHBondContact O-CD2 3.17Å; R652-Y654 WeakPolarHBondContact O-CE2 3.29Å

Retrieved 654 of 654 residues in 2438.3 ms (Link to these results)

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