A0A087Y5V8_POEFO Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A087Y5V8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 474 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	24.8	Very low	27.7	Very low	178 Å²	178	120.9 Å²	120.9	88%	0.877	70%	0.695	S	S	*	*				0	66.6	0	-77	-77.5	-146.7	0	0	107.5
2	L	23.8	Very low	28.5	Very low	131 Å²	131	124.1 Å²	124.1	69%	0.686	71%	0.708	S	S	*	*			trans	-92.8	88.1	160.5	-86.1	160.7	0	0	0	104.9	E81	L2-E81 HydrophobicContact CD1-CG 4.22Å
3	G	25.2	Very low	28.5	Very low	57 Å²	57	122.8 Å²	122.8	59%	0.588	71%	0.711	S	S	*	*			trans	-73.8	127.6	170.3	0	0	0	0	0	108.5	C5	G3-C5 PolarHBondContact O-N 2.86Å
4	L	27	Very low	28.7	Very low	106 Å²	106	125.7 Å²	125.7	56%	0.555	72%	0.723	S	S	*	*			trans	-62.9	110.8	163.5	-107.8	120.1	0	0	0	107.7	L6 F70	L4-L6 HydrophobicContact CD2-CD1 4.39Å; L4-L6 HydrophobicContact CD2-CD2 4.33Å; L4-L6 HydrophobicContact CD2-CG 4.04Å; L4-L6 PolarHBondContact O-N 3.18Å; L4-F70 HydrophobicContact CD2-CE2 4.46Å; L4-F70 HydrophobicContact CD2-CZ 4.37Å
5	C	28.2	Very low	29.4	Very low	116 Å²	116	125 Å²	125	78%	0.784	72%	0.724	S	S	*	*			trans	-78.7	95.1	161.9	-74.9	0	0	0	0	107.8	G3	G3-C5 PolarHBondContact O-N 2.86Å
6	L	26.9	Very low	29.8	Very low	88 Å²	88	124.7 Å²	124.7	46%	0.461	73%	0.725	S	S	.	*			trans	-83.9	110.1	166.1	-80.9	165.3	0	0	0	108.3	L4 F34 F70	L4-L6 HydrophobicContact CD2-CD1 4.39Å; L4-L6 HydrophobicContact CD2-CD2 4.33Å; L4-L6 HydrophobicContact CD2-CG 4.04Å; L4-L6 PolarHBondContact O-N 3.18Å; L6-F34 HydrophobicContact CD1-CZ 3.92Å; L6-F34 HydrophobicContact CD2-CE1 4.35Å; L6-F34 HydrophobicContact CD2-CZ 3.81Å; L6-F70 HydrophobicContact CD1-CZ 4.22Å
7	Y	30.2	Very low	29.6	Very low	204 Å²	204	128.1 Å²	128.1	80%	0.8	73%	0.732	S	S	*	*			trans	-81.6	113.4	170.5	-102.7	-95.1	0	0	0	109.1
8	V	27.3	Very low	29.6	Very low	81 Å²	81	127.5 Å²	127.5	49%	0.491	73%	0.731	S	S	.	*			trans	-122.6	115.1	166	-178.1	0	0	0	0	107.4	V10 L30	V8-V10 PolarHBondContact O-N 3.3Å; V8-V10 VanDerWaalsContact O-N 3.16Å; V8-L30 HydrophobicContact CG2-CD2 4.32Å
9	P	28.7	Very low	29.5	Very low	125 Å²	125	128.8 Å²	128.8	81%	0.812	73%	0.73	S	S	*	*			trans	-76.2	105.3	177	29	-29.1	0	0	0	108.8
10	V	28.2	Very low	29.5	Very low	125 Å²	125	130.8 Å²	130.8	76%	0.758	73%	0.727	S	S	*	*			trans	-78.3	126.5	165.9	-174.5	0	0	0	0	107.3	V8 N12	V8-V10 PolarHBondContact O-N 3.3Å; V8-V10 VanDerWaalsContact O-N 3.16Å; V10-N12 PolarHBondContact O-N 2.92Å
11	S	34.5	Very low	29.6	Very low	119 Å²	119	132 Å²	132	83%	0.832	72%	0.724	S	S	*	*	S	Bend	trans	-64.4	125.6	179.7	-153.3	0	0	0	0	109.4
12	N	37.2	Very low	30	Very low	159 Å²	159	130.4 Å²	130.4	85%	0.85	72%	0.715	S	S	*	*	S	Bend	trans	91.4	61.1	159.5	-133.3	23.4	0	0	0	118.9	V10	V10-N12 PolarHBondContact O-N 2.92Å
13	S	28.9	Very low	30.5	Very low	108 Å²	108	129.5 Å²	129.5	76%	0.755	72%	0.72	S	S	*	*			trans	-170.5	128	151.6	48.3	0	0	0	0	113
14	D	31.3	Very low	30.9	Very low	163 Å²	163	134 Å²	134	87%	0.872	73%	0.73	S	S	*	*	S	Bend	trans	-90.2	153.5	158.1	-76.1	-40.4	0	0	0	109.3
15	P	38.4	Very low	31.3	Very low	115 Å²	115	132.3 Å²	132.3	75%	0.747	74%	0.738	S	S	*	*	S	Bend	cis	-99	160.4	-15.1	36.8	-26.2	0	0	0	111.8	E17	P15-E17 PolarHBondContact O-N 3.48Å
16	V	36.3	Very low	31.8	Very low	120 Å²	120	130.9 Å²	130.9	73%	0.727	72%	0.722	S	S	*	*			trans	-56.8	99.8	-176.5	-177.6	0	0	0	0	112.4	V18	V16-V18 HydrophobicContact CG1-CG2 4.07Å
17	E	26.3	Very low	32.6	Very low	182 Å²	182	129.5 Å²	129.5	85%	0.85	72%	0.718	S	S	*	*			trans	-76.1	123.5	155.7	-87	-174.7	156.7	0	0	108.7	P15 E19	P15-E17 PolarHBondContact O-N 3.48Å; E17-E19 PolarHBondContact O-N 3.45Å
18	V	30.2	Very low	33.3	Very low	118 Å²	118	124.7 Å²	124.7	72%	0.715	72%	0.715	S	S	*	*			trans	-90.7	99.7	178.1	-178.4	0	0	0	0	107.5	V16	V16-V18 HydrophobicContact CG1-CG2 4.07Å
19	E	26.8	Very low	34	Very low	152 Å²	152	128.6 Å²	128.6	71%	0.71	73%	0.728	S	S	*	*			trans	-83.2	123.9	169.2	-88.4	-169.4	155.5	0	0	111.1	E17	E17-E19 PolarHBondContact O-N 3.45Å
20	Y	30.6	Very low	34.5	Very low	169 Å²	169	124.9 Å²	124.9	66%	0.663	70%	0.701	S	S	*	*			trans	-78.3	115.5	170.8	-111.1	-101.1	0	0	0	108.8	E22	Y20-E22 PolarHBondContact O-N 2.88Å
21	F	31.1	Very low	35.1	Very low	155 Å²	155	125.6 Å²	125.6	68%	0.68	69%	0.693	S	S	*	*			trans	-83.4	100.2	169.6	-72	-79.8	0	0	0	109.9
22	E	32.5	Very low	35.3	Very low	146 Å²	146	124.1 Å²	124.1	68%	0.682	68%	0.683	S	S	*	*			trans	-89.1	122.6	163.7	-79.6	-168.8	159.9	0	0	111	Y20 N24	Y20-E22 PolarHBondContact O-N 2.88Å; E22-N24 VanDerWaalsContact C-N 3.33Å; E22-N24 PolarHBondContact O-N 3.4Å
23	S	35.5	Very low	35.4	Very low	112 Å²	112	121.5 Å²	121.5	78%	0.783	67%	0.669	S	S	*	*	S	Bend	trans	49.4	1	148.6	73.5	0	0	0	0	123.4
24	N	31.8	Very low	35.7	Very low	152 Å²	152	118.6 Å²	118.6	81%	0.813	64%	0.642	S	S	*	*	S	Bend	trans	-129.7	77	177.4	-75.1	-32.7	0	0	0	113.8	E22	E22-N24 VanDerWaalsContact C-N 3.33Å; E22-N24 PolarHBondContact O-N 3.4Å
25	G	36.1	Very low	35.9	Very low	69 Å²	69	117.4 Å²	117.4	71%	0.711	64%	0.636	S	S	*	*			trans	71.9	128.8	159.6	0	0	0	0	0	116.5
26	L	39	Very low	35.6	Very low	87 Å²	87	120.8 Å²	120.8	46%	0.455	64%	0.639	S	S	.	*			trans	-66.9	139.7	170.9	-119	81	0	0	0	110.7	L30	L26-L30 HydrophobicContact CD2-CB 3.54Å; L26-L30 HydrophobicContact CD2-CD1 4.39Å; L26-L30 HydrophobicContact CD2-CG 4.45Å; L26-L30 HydrophobicContact CG-CB 4.28Å; L26-L30 HydrophobicContact CG-CD1 4.48Å
27	P	43.3	Very low	35.3	Very low	58 Å²	58	120.5 Å²	120.5	38%	0.377	63%	0.633	S	S	.	*			trans	-55.2	139.7	168.8	-21.7	31.1	0	0	0	111.1	E29 L30	P27-E29 PolarHBondContact O-N 3.24Å; P27-L30 HydrophobicContact CG-CD1 4.46Å; P27-L30 PolarHBondContact O-N 3.44Å
28	S	44.6	Very low	35.5	Very low	104 Å²	104	114.7 Å²	114.7	73%	0.727	61%	0.612	S	S	*	*	H	α-helix	trans	-56	-20.1	-176.6	35.4	0	0	0	0	114.5
29	E	42.5	Very low	35.9	Very low	163 Å²	163	112 Å²	112	76%	0.762	60%	0.596	S	S	*	*	H	α-helix	trans	-73.8	-29.6	178.4	-66.5	170.1	173.7	0	0	113.1	P27	P27-E29 PolarHBondContact O-N 3.24Å
30	L	40.3	Very low	36.1	Very low	46 Å²	46	113.8 Å²	113.8	24%	0.241	60%	0.602	C	S	.	*	H	α-helix	trans	-80.5	-29.1	178.2	-87.8	149.2	0	0	0	112.8	V8 L26 P27 S32 L33 F34	V8-L30 HydrophobicContact CG2-CD2 4.32Å; L26-L30 HydrophobicContact CD2-CB 3.54Å; L26-L30 HydrophobicContact CD2-CD1 4.39Å; L26-L30 HydrophobicContact CD2-CG 4.45Å; L26-L30 HydrophobicContact CG-CB 4.28Å; L26-L30 HydrophobicContact CG-CD1 4.48Å; P27-L30 HydrophobicContact CG-CD1 4.46Å; P27-L30 PolarHBondContact O-N 3.44Å; L30-S32 PolarHBondContact O-N 2.96Å; L30-L33 PolarHBondContact O-N 3.4Å; L30-F34 HydrophobicContact CD2-CE2 3.99Å; L30-F34 WeakPolarHBondContact O-CD2 3.29Å; L30-F34 PolarHBondContact O-N 3.48Å
31	K	38.9	Very low	36.3	Very low	140 Å²	140	107.2 Å²	107.2	61%	0.609	58%	0.578	S	S	*	*	H	α-helix	trans	-57.5	-32.1	175	-90.4	-173.5	171.6	-173.8	0	112.7	L33	K31-L33 VanDerWaalsContact C-N 3.34Å; K31-L33 PolarHBondContact O-N 3.38Å
32	S	39.9	Very low	36.3	Very low	88 Å²	88	103.7 Å²	103.7	62%	0.615	57%	0.571	S	S	*	*	H	α-helix	trans	-69.8	-26.7	178	175.8	0	0	0	0	113.9	L30	L30-S32 PolarHBondContact O-N 2.96Å
33	L	38.1	Very low	36.4	Very low	104 Å²	104	102 Å²	102	55%	0.545	58%	0.575	S	S	.	*	H	α-helix	trans	-84.7	-32.7	-177	-89.5	156.7	0	0	0	111.9	L30 K31 K36	L30-L33 PolarHBondContact O-N 3.4Å; K31-L33 VanDerWaalsContact C-N 3.34Å; K31-L33 PolarHBondContact O-N 3.38Å; L33-K36 PolarHBondContact O-N 3.46Å
34	F	36.8	Very low	36.6	Very low	47 Å²	47	104.4 Å²	104.4	21%	0.206	57%	0.574	C	S	.	*	H	α-helix	trans	-79.2	-25.4	-176.4	-81.1	-79	0	0	0	114.6	L6 L30 K36 L37 F70	L6-F34 HydrophobicContact CD1-CZ 3.92Å; L6-F34 HydrophobicContact CD2-CE1 4.35Å; L6-F34 HydrophobicContact CD2-CZ 3.81Å; L30-F34 HydrophobicContact CD2-CE2 3.99Å; L30-F34 WeakPolarHBondContact O-CD2 3.29Å; L30-F34 PolarHBondContact O-N 3.48Å; F34-K36 PolarHBondContact O-N 3.34Å; F34-L37 PolarHBondContact O-N 2.93Å; F34-F70 HydrophobicContact CD1-CD2 4.05Å; F34-F70 HydrophobicContact CD1-CE2 4.48Å; F34-F70 HydrophobicContact CD1-CG 4.2Å; F34-F70 HydrophobicContact CE1-CD2 4.04Å; F34-F70 HydrophobicContact CE1-CE2 4.02Å; F34-F70 HydrophobicContact CE1-CZ 4.48Å
35	N	35.3	Very low	37.2	Very low	139 Å²	139	101.7 Å²	101.7	74%	0.743	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-6.6	170.8	-88.3	-4.4	0	0	0	114.1
36	K	32.2	Very low	37.7	Very low	186 Å²	186	101.9 Å²	101.9	81%	0.809	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-8.6	175.7	-79.1	-178.5	174.7	178.5	0	114.3	L33 F34	L33-K36 PolarHBondContact O-N 3.46Å; F34-K36 PolarHBondContact O-N 3.34Å
37	L	30.3	Very low	38.2	Very low	113 Å²	113	100.3 Å²	100.3	59%	0.592	53%	0.534	S	S	*	.			trans	-106.1	86.5	-172.9	-103.3	142.5	0	0	0	110.1	F34 V39	F34-L37 PolarHBondContact O-N 2.93Å; L37-V39 PolarHBondContact O-N 3.39Å
38	S	30.9	Very low	38.7	Very low	60 Å²	60	100.7 Å²	100.7	42%	0.42	54%	0.535	S	S	.	.			trans	-70.8	110.1	170.2	57.9	0	0	0	0	109.8	F40	S38-F40 PolarHBondContact O-N 2.92Å
39	V	37	Very low	39.1	Very low	61 Å²	61	96 Å²	96	37%	0.37	50%	0.502	S	S	.	.			trans	-75.7	115.8	177.7	178.3	0	0	0	0	109.6	L37	L37-V39 PolarHBondContact O-N 3.39Å
40	F	32	Very low	39.6	Very low	190 Å²	190	92.8 Å²	92.8	83%	0.833	49%	0.486	S	S	*	.			trans	-84.9	116	175	-94.2	-90.5	0	0	0	110.8	S38	S38-F40 PolarHBondContact O-N 2.92Å
41	L	33.8	Very low	40.5	Very low	32 Å²	32	98 Å²	98	17%	0.168	51%	0.507	C	S	.	.			trans	-90.8	141.7	170.2	-81	163.6	0	0	0	111.1	E45 L68 F73	L41-E45 HydrophobicContact CD2-CB 4.5Å; L41-L68 HydrophobicContact CD1-CD1 3.69Å; L41-F73 HydrophobicContact CD1-CD2 4.43Å; L41-F73 HydrophobicContact CD1-CE2 4.21Å; L41-F73 HydrophobicContact CD2-CE2 4.12Å; L41-F73 HydrophobicContact CG-CE2 4.4Å
42	P	32.6	Very low	41.7	Very low	81 Å²	81	92.9 Å²	92.9	53%	0.526	48%	0.484	S	S	.	.			trans	-56.2	145.7	171.3	-21.9	32.2	0	0	0	112.3	Q44 E45 F46	P42-Q44 VanDerWaalsContact C-N 3.27Å; P42-Q44 PolarHBondContact O-N 3.15Å; P42-Q44 VanDerWaalsContact O-N 3.09Å; P42-E45 PolarHBondContact O-N 3.33Å; P42-F46 PolarHBondContact O-N 2.93Å
43	S	34.7	Very low	42.5	Very low	109 Å²	109	93.2 Å²	93.2	76%	0.762	47%	0.472	S	S	*	.	H	α-helix	trans	-57.9	-29.2	-168.8	56.8	0	0	0	0	115.6
44	Q	38	Very low	43.4	Very low	164 Å²	164	96.4 Å²	96.4	77%	0.766	48%	0.481	S	S	*	.	H	α-helix	trans	-72.7	-40.9	175.4	-101.2	176.7	-16.2	0	0	112.7	P42 F46 S47	P42-Q44 VanDerWaalsContact C-N 3.27Å; P42-Q44 PolarHBondContact O-N 3.15Å; P42-Q44 VanDerWaalsContact O-N 3.09Å; Q44-F46 VanDerWaalsContact C-N 3.34Å; Q44-S47 PolarHBondContact O-N 3.22Å; Q44-S47 PolarHBondContact O-OG 2.95Å
45	E	44.8	Very low	44.6	Very low	95 Å²	95	102.2 Å²	102.2	44%	0.444	51%	0.506	S	S	.	.	H	α-helix	trans	-72.9	-31.1	178.7	-62.6	-166.8	164.1	0	0	111.5	L41 P42 S47 T48 Y49	L41-E45 HydrophobicContact CD2-CB 4.5Å; P42-E45 PolarHBondContact O-N 3.33Å; E45-S47 VanDerWaalsContact C-N 3.29Å; E45-S47 PolarHBondContact O-N 2.85Å; E45-T48 WeakPolarHBondContact O-CB 3.44Å; E45-T48 PolarHBondContact O-N 3.39Å; E45-Y49 PolarHBondContact O-N 3.03Å
46	F	46.7	Very low	45.5	Very low	73 Å²	73	99.2 Å²	99.2	32%	0.32	49%	0.493	S	S	.	.	H	α-helix	trans	-59.3	-37	174.2	-166.2	-106.6	0	0	0	113.1	P42 Q44 T48 Q50	P42-F46 PolarHBondContact O-N 2.93Å; Q44-F46 VanDerWaalsContact C-N 3.34Å; F46-T48 VanDerWaalsContact C-N 3.28Å; F46-T48 PolarHBondContact O-N 3.49Å; F46-Q50 HydrophobicContact CD1-CG 4.37Å; F46-Q50 HydrophobicContact CE1-CG 4.17Å; F46-Q50 WeakPolarHBondContact O-CG 3.29Å; F46-Q50 PolarHBondContact O-N 3.12Å
47	S	49.4	Very low	46.7	Very low	53 Å²	53	95 Å²	95	37%	0.371	48%	0.479	S	S	.	.	H	α-helix	trans	-68.6	-27.7	176.6	76.9	0	0	0	0	113.3	Q44 E45 K51	Q44-S47 PolarHBondContact O-N 3.22Å; Q44-S47 PolarHBondContact O-OG 2.95Å; E45-S47 VanDerWaalsContact C-N 3.29Å; E45-S47 PolarHBondContact O-N 2.85Å; S47-K51 WeakPolarHBondContact O-CG 3.45Å; S47-K51 PolarHBondContact O-N 3.19Å
48	T	54	Low	47.6	Very low	66 Å²	66	97.9 Å²	97.9	41%	0.405	49%	0.487	S	S	.	.	H	α-helix	trans	-81.9	-42.2	179.3	-53.8	0	0	0	0	110	E45 F46 K51 W52	E45-T48 WeakPolarHBondContact O-CB 3.44Å; E45-T48 PolarHBondContact O-N 3.39Å; F46-T48 VanDerWaalsContact C-N 3.28Å; F46-T48 PolarHBondContact O-N 3.49Å; T48-K51 PolarHBondContact O-N 3.38Å; T48-W52 PolarHBondContact O-N 3.41Å
49	Y	52.5	Low	48.3	Very low	7 Å²	7	100.2 Å²	100.2	3%	0.027	50%	0.503	C	S	.	.	H	α-helix	trans	-55.2	-49.1	168.8	174.2	-102.5	0	0	0	112.3	E45 K51 W52 R53 L68 E72 Y76	E45-Y49 PolarHBondContact O-N 3.03Å; Y49-K51 VanDerWaalsContact C-N 3.26Å; Y49-K51 PolarHBondContact O-N 3.36Å; Y49-W52 HydrophobicContact CD2-CE3 4.44Å; Y49-W52 HydrophobicContact CE2-CE3 4.28Å; Y49-W52 HydrophobicContact CE2-CZ3 4.32Å; Y49-W52 PolarHBondContact O-N 2.94Å; Y49-W52 VanDerWaalsContact O-N 3.14Å; Y49-R53 WeakPolarHBondContact O-CB 3.4Å; Y49-R53 PolarHBondContact O-N 2.88Å; Y49-L68 HydrophobicContact CD1-CD1 3.76Å; Y49-L68 HydrophobicContact CD2-CD1 4.27Å; Y49-L68 HydrophobicContact CE1-CD1 3.41Å; Y49-L68 VanDerWaalsContact CE1-CD1 3.41Å; Y49-L68 HydrophobicContact CE1-CD2 4.49Å; Y49-L68 HydrophobicContact CE1-CG 3.82Å; Y49-L68 HydrophobicContact CE2-CD1 3.96Å; Y49-L68 HydrophobicContact CE2-CD2 3.77Å; Y49-L68 HydrophobicContact CE2-CG 4.01Å; Y49-L68 HydrophobicContact CG-CD1 4.18Å; Y49-L68 VanDerWaalsContact CZ-CG 3.47Å; Y49-L68 WeakPolarHBondContact OH-CG 3.3Å; Y49-E72 VanDerWaalsContact OH-CG 3.31Å; Y49-E72 WeakPolarHBondContact OH-CG 3.49Å; Y49-E72 PolarHBondContact OH-OE1 3.5Å; Y49-E72 VanDerWaalsContact OH-OE1 3.12Å; Y49-E72 PolarHBondContact OH-OE2 3.48Å; Y49-E72 VanDerWaalsContact OH-OE2 3.07Å; Y49-Y76 HydrophobicContact CD2-CD1 4.11Å; Y49-Y76 AromaticContact CD2-CD2 3.81Å; Y49-Y76 HydrophobicContact CD2-CD2 3.81Å; Y49-Y76 HydrophobicContact CD2-CE1 4.48Å; Y49-Y76 HydrophobicContact CD2-CE2 4.2Å; Y49-Y76 AromaticContact CD2-CG 3.75Å; Y49-Y76 HydrophobicContact CD2-CG 3.75Å; Y49-Y76 HydrophobicContact CE2-CG 4.29Å
50	Q	53.7	Low	48.4	Very low	94 Å²	94	105.8 Å²	105.8	44%	0.439	53%	0.525	S	S	.	.	H	α-helix	trans	-60.1	-35	177.8	-79.6	-172.9	-15.4	0	0	113.3	F46 K54	F46-Q50 HydrophobicContact CD1-CG 4.37Å; F46-Q50 HydrophobicContact CE1-CG 4.17Å; F46-Q50 WeakPolarHBondContact O-CG 3.29Å; F46-Q50 PolarHBondContact O-N 3.12Å; Q50-K54 WeakPolarHBondContact O-CG 3.4Å; Q50-K54 PolarHBondContact O-N 3.42Å
51	K	59.5	Low	49.1	Very low	156 Å²	156	106.1 Å²	106.1	68%	0.678	53%	0.529	S	S	*	.	H	α-helix	trans	-72	-39.8	175.7	-73.9	175.7	-175.2	175.3	0	111.9	S47 T48 Y49 K55	S47-K51 WeakPolarHBondContact O-CG 3.45Å; S47-K51 PolarHBondContact O-N 3.19Å; T48-K51 PolarHBondContact O-N 3.38Å; Y49-K51 VanDerWaalsContact C-N 3.26Å; Y49-K51 PolarHBondContact O-N 3.36Å; K51-K55 WeakPolarHBondContact O-CB 3.37Å; K51-K55 PolarHBondContact O-N 3Å
52	W	63.7	Low	49.5	Very low	33 Å²	33	113.4 Å²	113.4	13%	0.125	56%	0.559	C	S	.	*	H	α-helix	trans	-63.8	-48.7	173.5	176.8	91.8	0	0	0	111	T48 Y49 K54 K55 T56 E72 H75 Y76 D79	T48-W52 PolarHBondContact O-N 3.41Å; Y49-W52 HydrophobicContact CD2-CE3 4.44Å; Y49-W52 HydrophobicContact CE2-CE3 4.28Å; Y49-W52 HydrophobicContact CE2-CZ3 4.32Å; Y49-W52 PolarHBondContact O-N 2.94Å; Y49-W52 VanDerWaalsContact O-N 3.14Å; W52-K54 VanDerWaalsContact C-N 3.35Å; W52-K54 PolarHBondContact O-N 3.47Å; W52-K55 WeakPolarHBondContact O-CA 3.44Å; W52-K55 WeakPolarHBondContact O-CB 3.36Å; W52-K55 PolarHBondContact O-N 2.99Å; W52-T56 HydrophobicContact CZ2-CG2 4.16Å; W52-T56 PolarHBondContact NE1-OG1 2.77Å; W52-T56 PolarHBondContact O-N 3.12Å; W52-T56 PolarHBondContact O-OG1 3.49Å; W52-T56 VanDerWaalsContact O-OG1 3.06Å; W52-E72 HydrophobicContact CZ3-CG 4.32Å; W52-H75 HydrophobicContact CH2-CB 4.01Å; W52-H75 HydrophobicContact CZ2-CB 4.41Å; W52-Y76 HydrophobicContact CB-CD2 3.97Å; W52-Y76 HydrophobicContact CB-CE2 3.95Å; W52-Y76 AromaticContact CD2-CD2 3.61Å; W52-Y76 HydrophobicContact CD2-CD2 3.61Å; W52-Y76 HydrophobicContact CD2-CE2 4.46Å; W52-Y76 HydrophobicContact CD2-CG 4.48Å; W52-Y76 AromaticContact CE3-CD2 3.72Å; W52-Y76 HydrophobicContact CE3-CD2 3.72Å; W52-Y76 HydrophobicContact CE3-CG 4.33Å; W52-Y76 AromaticContact CG-CD2 3.71Å; W52-Y76 HydrophobicContact CG-CD2 3.71Å; W52-Y76 HydrophobicContact CG-CE2 4.13Å; W52-Y76 HydrophobicContact CZ3-CD2 4.42Å; W52-D79 HydrophobicContact CZ2-CB 4.42Å
53	R	56.6	Low	49.8	Very low	94 Å²	94	115.1 Å²	115.1	36%	0.355	56%	0.564	S	S	.	*	H	α-helix	trans	-52.7	-49.5	177.6	-170	177.5	-155.9	-157.4	10.1	111.9	Y49 K55 L57 E72	Y49-R53 WeakPolarHBondContact O-CB 3.4Å; Y49-R53 PolarHBondContact O-N 2.88Å; R53-K55 PolarHBondContact O-N 3.48Å; R53-L57 HydrophobicContact CG-CD1 4.19Å; R53-L57 PolarHBondContact O-N 3.18Å; R53-E72 WeakPolarHBondContact CD-OE1 3.39Å; R53-E72 VanDerWaalsContact CG-OE1 3.3Å; R53-E72 WeakPolarHBondContact CG-OE1 3.24Å; R53-E72 IonicContact CZ-OE1 2.94Å; R53-E72 IonicContact CZ-OE2 2.7Å; R53-E72 IonicContact NE-OE1 2.77Å; R53-E72 PolarHBondContact NE-OE1 3.33Å; R53-E72 IonicContact NE-OE2 2.67Å; R53-E72 PolarHBondContact NE-OE2 3.1Å; R53-E72 IonicContact NH2-OE1 3.62Å; R53-E72 IonicContact NH2-OE2 3.95Å; R53-E72 PolarHBondContact NH2-OE2 3.22Å
54	K	58	Low	50.1	Low	171 Å²	171	115.2 Å²	115.2	74%	0.743	57%	0.571	S	S	*	*	H	α-helix	trans	-64.3	-24.4	176.9	-77.3	-177.7	178	-177	0	114.4	Q50 W52	Q50-K54 WeakPolarHBondContact O-CG 3.4Å; Q50-K54 PolarHBondContact O-N 3.42Å; W52-K54 VanDerWaalsContact C-N 3.35Å; W52-K54 PolarHBondContact O-N 3.47Å
55	K	60.4	Low	50.4	Low	170 Å²	170	111.9 Å²	111.9	74%	0.739	56%	0.559	S	S	*	*	H	α-helix	trans	-89.4	-35.9	-176.6	-169	179.7	176.9	-171	0	111.9	K51 W52 R53	K51-K55 WeakPolarHBondContact O-CB 3.37Å; K51-K55 PolarHBondContact O-N 3Å; W52-K55 WeakPolarHBondContact O-CA 3.44Å; W52-K55 WeakPolarHBondContact O-CB 3.36Å; W52-K55 PolarHBondContact O-N 2.99Å; R53-K55 PolarHBondContact O-N 3.48Å
56	T	55.9	Low	50.5	Low	75 Å²	75	111.1 Å²	111.1	46%	0.46	58%	0.577	S	S	.	*	H	α-helix	trans	-94.2	-42	-172.6	-44.5	0	0	0	0	112.2	W52 K58	W52-T56 HydrophobicContact CZ2-CG2 4.16Å; W52-T56 PolarHBondContact NE1-OG1 2.77Å; W52-T56 PolarHBondContact O-N 3.12Å; W52-T56 PolarHBondContact O-OG1 3.49Å; W52-T56 VanDerWaalsContact O-OG1 3.06Å; T56-K58 PolarHBondContact O-N 3.39Å
57	L	55.4	Low	50.4	Low	98 Å²	98	113.8 Å²	113.8	51%	0.513	59%	0.59	S	S	.	*			trans	-93.2	72.7	173.8	-73.5	122.1	0	0	0	110.1	R53 E72	R53-L57 HydrophobicContact CG-CD1 4.19Å; R53-L57 PolarHBondContact O-N 3.18Å; L57-E72 WeakPolarHBondContact CD1-OE1 3.4Å
58	K	51.2	Low	50.5	Low	173 Å²	173	112.2 Å²	112.2	75%	0.752	58%	0.578	S	S	*	*			trans	-75.7	120.4	162.6	-73.8	-178.7	179	179.4	0	107.2	T56	T56-K58 PolarHBondContact O-N 3.39Å
59	S	43.9	Very low	50.5	Low	109 Å²	109	113.4 Å²	113.4	76%	0.762	58%	0.581	S	S	*	*	S	Bend	trans	76.1	94.2	-173.6	78.8	0	0	0	0	115.5
60	E	39.3	Very low	50.2	Low	179 Å²	179	115.4 Å²	115.4	84%	0.836	59%	0.59	S	S	*	*				-170.7	117.8	108	-97.4	175.6	178	0	0	108.4	K62	E60-K62 VanDerWaalsContact C-N 3.31Å; E60-K62 PolarHBondContact O-N 3.18Å
61	E	47.5	Very low	50.1	Low	196 Å²	196	117.1 Å²	117.1	92%	0.916	60%	0.598	S	S	*	*			trans	-69	92	164.2	-74.8	178.2	150.5	0	0	107.4
62	K	41.9	Very low	50	Low	185 Å²	185	111 Å²	111	80%	0.804	57%	0.572	S	S	*	*			trans	-161	138	155.1	-106.1	155.7	-170.3	-173.7	0	110.8	E60	E60-K62 VanDerWaalsContact C-N 3.31Å; E60-K62 PolarHBondContact O-N 3.18Å
63	D	38.8	Very low	49.4	Very low	117 Å²	117	111.1 Å²	111.1	63%	0.626	57%	0.574	S	S	*	*			trans	80.8	92	169.9	-55	-13.6	0	0	0	116.1	D65	D63-D65 PolarHBondContact O-N 3.32Å; D63-D65 VanDerWaalsContact O-N 3.14Å
64	A	41.3	Very low	49.3	Very low	111 Å²	111	108.2 Å²	108.2	92%	0.917	57%	0.566	S	S	*	*			trans	-81.7	46.8	172.8	0	0	0	0	0	110.8
65	D	44.2	Very low	49.3	Very low	94 Å²	94	104.8 Å²	104.8	50%	0.503	55%	0.553	S	S	.	*			trans	-106.7	112.8	179.9	-27.8	-10	0	0	0	103	D63 Q67	D63-D65 PolarHBondContact O-N 3.32Å; D63-D65 VanDerWaalsContact O-N 3.14Å; D65-Q67 PolarHBondContact O-N 2.9Å
66	G	47.6	Very low	49.2	Very low	79 Å²	79	97.2 Å²	97.2	81%	0.814	52%	0.52	S	S	*	.			trans	-65.9	31.4	-179	0	0	0	0	0	114.4
67	Q	44.7	Very low	49.1	Very low	129 Å²	129	97.4 Å²	97.4	60%	0.603	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-103.5	137.8	179.3	-63.3	-167.2	-9.3	0	0	110.2	D65	D65-Q67 PolarHBondContact O-N 2.9Å
68	L	50.5	Low	48.9	Very low	21 Å²	21	96.9 Å²	96.9	11%	0.11	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-94.2	116.7	-178.8	-131.2	134.4	0	0	0	107.7	L41 Y49 F73	L41-L68 HydrophobicContact CD1-CD1 3.69Å; Y49-L68 HydrophobicContact CD1-CD1 3.76Å; Y49-L68 HydrophobicContact CD2-CD1 4.27Å; Y49-L68 HydrophobicContact CE1-CD1 3.41Å; Y49-L68 VanDerWaalsContact CE1-CD1 3.41Å; Y49-L68 HydrophobicContact CE1-CD2 4.49Å; Y49-L68 HydrophobicContact CE1-CG 3.82Å; Y49-L68 HydrophobicContact CE2-CD1 3.96Å; Y49-L68 HydrophobicContact CE2-CD2 3.77Å; Y49-L68 HydrophobicContact CE2-CG 4.01Å; Y49-L68 HydrophobicContact CG-CD1 4.18Å; Y49-L68 VanDerWaalsContact CZ-CG 3.47Å; Y49-L68 WeakPolarHBondContact OH-CG 3.3Å; L68-F73 HydrophobicContact CD2-CB 3.43Å; L68-F73 VanDerWaalsContact CD2-CB 3.43Å; L68-F73 HydrophobicContact CD2-CD2 3.71Å; L68-F73 HydrophobicContact CD2-CG 4.02Å
69	D	54.8	Low	49.1	Very low	91 Å²	91	90.4 Å²	90.4	49%	0.487	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-69.6	141.8	172.2	-166.9	5	0	0	0	109.3	E71 E72 F73	D69-E71 PolarHBondContact O-N 2.73Å; D69-E72 HydrophobicContact CB-CB 4.32Å; D69-E72 WeakPolarHBondContact O-CB 3.3Å; D69-E72 PolarHBondContact O-N 3.45Å; D69-F73 PolarHBondContact O-N 2.84Å
70	F	45.2	Very low	49.4	Very low	48 Å²	48	90.2 Å²	90.2	21%	0.211	47%	0.468	C	S	.	.	H	α-helix	trans	-61.6	-34.5	-175.2	179.9	-101.5	0	0	0	111.5	L4 L6 F34 F73 V74	L4-F70 HydrophobicContact CD2-CE2 4.46Å; L4-F70 HydrophobicContact CD2-CZ 4.37Å; L6-F70 HydrophobicContact CD1-CZ 4.22Å; F34-F70 HydrophobicContact CD1-CD2 4.05Å; F34-F70 HydrophobicContact CD1-CE2 4.48Å; F34-F70 HydrophobicContact CD1-CG 4.2Å; F34-F70 HydrophobicContact CE1-CD2 4.04Å; F34-F70 HydrophobicContact CE1-CE2 4.02Å; F34-F70 HydrophobicContact CE1-CZ 4.48Å; F70-F73 WeakPolarHBondContact O-CB 2.99Å; F70-F73 PolarHBondContact O-N 3.4Å; F70-V74 HydrophobicContact CD1-CG2 4.11Å; F70-V74 HydrophobicContact CE1-CG2 3.71Å; F70-V74 HydrophobicContact CE2-CG2 4.19Å; F70-V74 HydrophobicContact CZ-CG2 3.76Å; F70-V74 VanDerWaalsContact O-CG2 3.27Å; F70-V74 WeakPolarHBondContact O-CG2 3.17Å; F70-V74 PolarHBondContact O-N 3.05Å
71	E	52.6	Low	49.8	Very low	130 Å²	130	84 Å²	84	61%	0.607	44%	0.439	S	S	*	.	H	α-helix	trans	-67	-38.6	176.6	-163	159.9	-166.8	0	0	111.5	D69 H75	D69-E71 PolarHBondContact O-N 2.73Å; E71-H75 PolarHBondContact O-N 3.22Å; E71-H75 VanDerWaalsContact O-N 3.09Å
72	E	57.1	Low	50	Low	29 Å²	29	79.9 Å²	79.9	14%	0.136	42%	0.418	C	S	.	.	H	α-helix	trans	-67.1	-39.5	173.9	-162.5	175.3	-172.3	0	0	111.4	Y49 W52 R53 L57 D69 H75 Y76	Y49-E72 VanDerWaalsContact OH-CG 3.31Å; Y49-E72 WeakPolarHBondContact OH-CG 3.49Å; Y49-E72 PolarHBondContact OH-OE1 3.5Å; Y49-E72 VanDerWaalsContact OH-OE1 3.12Å; Y49-E72 PolarHBondContact OH-OE2 3.48Å; Y49-E72 VanDerWaalsContact OH-OE2 3.07Å; W52-E72 HydrophobicContact CZ3-CG 4.32Å; R53-E72 WeakPolarHBondContact CD-OE1 3.39Å; R53-E72 VanDerWaalsContact CG-OE1 3.3Å; R53-E72 WeakPolarHBondContact CG-OE1 3.24Å; R53-E72 IonicContact CZ-OE1 2.94Å; R53-E72 IonicContact CZ-OE2 2.7Å; R53-E72 IonicContact NE-OE1 2.77Å; R53-E72 PolarHBondContact NE-OE1 3.33Å; R53-E72 IonicContact NE-OE2 2.67Å; R53-E72 PolarHBondContact NE-OE2 3.1Å; R53-E72 IonicContact NH2-OE1 3.62Å; R53-E72 IonicContact NH2-OE2 3.95Å; R53-E72 PolarHBondContact NH2-OE2 3.22Å; L57-E72 WeakPolarHBondContact CD1-OE1 3.4Å; D69-E72 HydrophobicContact CB-CB 4.32Å; D69-E72 WeakPolarHBondContact O-CB 3.3Å; D69-E72 PolarHBondContact O-N 3.45Å; E72-H75 PolarHBondContact O-N 2.92Å; E72-Y76 WeakPolarHBondContact O-CB 3.39Å; E72-Y76 PolarHBondContact O-N 2.92Å
73	F	51.1	Low	50.4	Low	35 Å²	35	75.4 Å²	75.4	15%	0.154	40%	0.403	C	S	.	.	H	α-helix	trans	-63.8	-45.4	175.7	-175.6	-113.6	0	0	0	112.7	L41 L68 D69 F70 H75 Y76 M77	L41-F73 HydrophobicContact CD1-CD2 4.43Å; L41-F73 HydrophobicContact CD1-CE2 4.21Å; L41-F73 HydrophobicContact CD2-CE2 4.12Å; L41-F73 HydrophobicContact CG-CE2 4.4Å; L68-F73 HydrophobicContact CD2-CB 3.43Å; L68-F73 VanDerWaalsContact CD2-CB 3.43Å; L68-F73 HydrophobicContact CD2-CD2 3.71Å; L68-F73 HydrophobicContact CD2-CG 4.02Å; D69-F73 PolarHBondContact O-N 2.84Å; F70-F73 WeakPolarHBondContact O-CB 2.99Å; F70-F73 PolarHBondContact O-N 3.4Å; F73-H75 VanDerWaalsContact C-N 3.32Å; F73-H75 PolarHBondContact O-N 2.82Å; F73-Y76 PolarHBondContact O-N 3.19Å; F73-M77 HydrophobicContact CD1-CG 4.39Å; F73-M77 HydrophobicContact CD2-CG 4.49Å; F73-M77 HydrophobicContact CE1-CG 3.95Å; F73-M77 HydrophobicContact CE2-CG 4.06Å; F73-M77 HydrophobicContact CE2-SD 4.45Å; F73-M77 HydrophobicContact CZ-CG 3.77Å; F73-M77 HydrophobicContact CZ-SD 4.22Å; F73-M77 WeakPolarHBondContact O-CB 3.41Å; F73-M77 WeakPolarHBondContact O-CG 3.45Å; F73-M77 PolarHBondContact O-N 3.28Å
74	V	55	Low	50.7	Low	33 Å²	33	73.9 Å²	73.9	20%	0.2	39%	0.394	C	S	.	.	H	α-helix	trans	-64.1	-41.4	179.1	170.5	0	0	0	0	110.2	F70 M77 Q78	F70-V74 HydrophobicContact CD1-CG2 4.11Å; F70-V74 HydrophobicContact CE1-CG2 3.71Å; F70-V74 HydrophobicContact CE2-CG2 4.19Å; F70-V74 HydrophobicContact CZ-CG2 3.76Å; F70-V74 VanDerWaalsContact O-CG2 3.27Å; F70-V74 WeakPolarHBondContact O-CG2 3.17Å; F70-V74 PolarHBondContact O-N 3.05Å; V74-M77 PolarHBondContact O-N 3.37Å; V74-Q78 HydrophobicContact CG1-CG 4.46Å; V74-Q78 WeakPolarHBondContact O-CB 3.45Å; V74-Q78 VanDerWaalsContact O-CG 3.28Å; V74-Q78 WeakPolarHBondContact O-CG 3.5Å; V74-Q78 PolarHBondContact O-N 3.31Å
75	H	56.3	Low	51	Low	98 Å²	98	73.9 Å²	73.9	45%	0.454	37%	0.373	S	S	.	.	H	α-helix	trans	-62.7	-44.4	174.6	-102	-78.7	0	0	0	112.7	W52 E71 E72 F73 M77 Q78 D79	W52-H75 HydrophobicContact CH2-CB 4.01Å; W52-H75 HydrophobicContact CZ2-CB 4.41Å; E71-H75 PolarHBondContact O-N 3.22Å; E71-H75 VanDerWaalsContact O-N 3.09Å; E72-H75 PolarHBondContact O-N 2.92Å; F73-H75 VanDerWaalsContact C-N 3.32Å; F73-H75 PolarHBondContact O-N 2.82Å; H75-M77 PolarHBondContact O-N 3.43Å; H75-Q78 PolarHBondContact O-N 2.87Å; H75-D79 PolarHBondContact O-N 3.12Å
76	Y	59.3	Low	51.1	Low	12 Å²	12	74.6 Å²	74.6	5%	0.047	38%	0.377	C	S	.	.	H	α-helix	trans	-58.3	-46.9	174.5	171.8	-105.6	0	0	0	111.8	Y49 W52 E72 F73 Q78 D79 Y80	Y49-Y76 HydrophobicContact CD2-CD1 4.11Å; Y49-Y76 AromaticContact CD2-CD2 3.81Å; Y49-Y76 HydrophobicContact CD2-CD2 3.81Å; Y49-Y76 HydrophobicContact CD2-CE1 4.48Å; Y49-Y76 HydrophobicContact CD2-CE2 4.2Å; Y49-Y76 AromaticContact CD2-CG 3.75Å; Y49-Y76 HydrophobicContact CD2-CG 3.75Å; Y49-Y76 HydrophobicContact CE2-CG 4.29Å; W52-Y76 HydrophobicContact CB-CD2 3.97Å; W52-Y76 HydrophobicContact CB-CE2 3.95Å; W52-Y76 AromaticContact CD2-CD2 3.61Å; W52-Y76 HydrophobicContact CD2-CD2 3.61Å; W52-Y76 HydrophobicContact CD2-CE2 4.46Å; W52-Y76 HydrophobicContact CD2-CG 4.48Å; W52-Y76 AromaticContact CE3-CD2 3.72Å; W52-Y76 HydrophobicContact CE3-CD2 3.72Å; W52-Y76 HydrophobicContact CE3-CG 4.33Å; W52-Y76 AromaticContact CG-CD2 3.71Å; W52-Y76 HydrophobicContact CG-CD2 3.71Å; W52-Y76 HydrophobicContact CG-CE2 4.13Å; W52-Y76 HydrophobicContact CZ3-CD2 4.42Å; E72-Y76 WeakPolarHBondContact O-CB 3.39Å; E72-Y76 PolarHBondContact O-N 2.92Å; F73-Y76 PolarHBondContact O-N 3.19Å; Y76-Q78 PolarHBondContact O-N 3.31Å; Y76-D79 PolarHBondContact O-N 3.21Å; Y76-Y80 VanDerWaalsContact O-CB 3.29Å; Y76-Y80 WeakPolarHBondContact O-CB 3.21Å; Y76-Y80 PolarHBondContact O-N 3.1Å
77	M	53	Low	51.2	Low	78 Å²	78	73.7 Å²	73.7	38%	0.384	36%	0.355	S	S	.	.	H	α-helix	trans	-64.1	-39.4	179.8	-79.6	-58	-45.9	0	0	112.7	F73 V74 H75 E81	F73-M77 HydrophobicContact CD1-CG 4.39Å; F73-M77 HydrophobicContact CD2-CG 4.49Å; F73-M77 HydrophobicContact CE1-CG 3.95Å; F73-M77 HydrophobicContact CE2-CG 4.06Å; F73-M77 HydrophobicContact CE2-SD 4.45Å; F73-M77 HydrophobicContact CZ-CG 3.77Å; F73-M77 HydrophobicContact CZ-SD 4.22Å; F73-M77 WeakPolarHBondContact O-CB 3.41Å; F73-M77 WeakPolarHBondContact O-CG 3.45Å; F73-M77 PolarHBondContact O-N 3.28Å; V74-M77 PolarHBondContact O-N 3.37Å; H75-M77 PolarHBondContact O-N 3.43Å; M77-E81 WeakPolarHBondContact O-CB 3.37Å; M77-E81 PolarHBondContact O-N 3.35Å
78	Q	52.1	Low	51.3	Low	88 Å²	88	71.2 Å²	71.2	41%	0.411	35%	0.349	S	S	.	.	H	α-helix	trans	-67.1	-40.6	177.3	-75	178.7	3.8	0	0	112.2	V74 H75 Y76 E81 K82	V74-Q78 HydrophobicContact CG1-CG 4.46Å; V74-Q78 WeakPolarHBondContact O-CB 3.45Å; V74-Q78 VanDerWaalsContact O-CG 3.28Å; V74-Q78 WeakPolarHBondContact O-CG 3.5Å; V74-Q78 PolarHBondContact O-N 3.31Å; H75-Q78 PolarHBondContact O-N 2.87Å; Y76-Q78 PolarHBondContact O-N 3.31Å; Q78-E81 PolarHBondContact O-N 2.94Å; Q78-K82 WeakPolarHBondContact O-CG 3.46Å; Q78-K82 PolarHBondContact O-N 2.98Å
79	D	54.6	Low	51.2	Low	36 Å²	36	78.3 Å²	78.3	19%	0.193	38%	0.379	C	S	.	.	H	α-helix	trans	-72.7	-37	177.4	-78	-9.5	0	0	0	111.8	W52 H75 Y76 E81 K82 D83	W52-D79 HydrophobicContact CZ2-CB 4.42Å; H75-D79 PolarHBondContact O-N 3.12Å; Y76-D79 PolarHBondContact O-N 3.21Å; D79-E81 VanDerWaalsContact C-N 3.34Å; D79-E81 PolarHBondContact O-N 3.35Å; D79-K82 WeakPolarHBondContact O-CB 3.29Å; D79-K82 PolarHBondContact O-N 2.83Å; D79-K82 IonicContact OD1-NZ 3.89Å; D79-K82 PolarHBondContact OD1-NZ 2.8Å; D79-D83 WeakPolarHBondContact O-CB 3.32Å; D79-D83 PolarHBondContact O-N 3.07Å
80	Y	51.3	Low	50.8	Low	106 Å²	106	77.1 Å²	77.1	42%	0.416	38%	0.378	S	S	.	.	H	α-helix	trans	-61.4	-41.8	171.3	-168.5	-101.9	0	0	0	111.7	Y76 K82 D83 L84	Y76-Y80 VanDerWaalsContact O-CB 3.29Å; Y76-Y80 WeakPolarHBondContact O-CB 3.21Å; Y76-Y80 PolarHBondContact O-N 3.1Å; Y80-K82 VanDerWaalsContact C-N 3.35Å; Y80-K82 PolarHBondContact O-N 3.32Å; Y80-D83 PolarHBondContact O-N 3.33Å; Y80-L84 HydrophobicContact CD1-CD1 3.81Å; Y80-L84 HydrophobicContact CE1-CD1 3.23Å; Y80-L84 WeakPolarHBondContact O-CB 3.47Å; Y80-L84 PolarHBondContact O-N 3.39Å
81	E	47.8	Very low	50.9	Low	47 Å²	47	76.8 Å²	76.8	22%	0.22	38%	0.378	C	S	.	.	H	α-helix	trans	-64.7	-36.9	174.8	-165.2	-169.7	165.8	0	0	111.9	L2 M77 Q78 D79 K85	L2-E81 HydrophobicContact CD1-CG 4.22Å; M77-E81 WeakPolarHBondContact O-CB 3.37Å; M77-E81 PolarHBondContact O-N 3.35Å; Q78-E81 PolarHBondContact O-N 2.94Å; D79-E81 VanDerWaalsContact C-N 3.34Å; D79-E81 PolarHBondContact O-N 3.35Å; E81-K85 VanDerWaalsContact CD-NZ 3.27Å; E81-K85 HydrophobicContact CG-CD 4.49Å; E81-K85 WeakPolarHBondContact O-CB 3.49Å; E81-K85 VanDerWaalsContact O-CG 3.25Å; E81-K85 WeakPolarHBondContact O-CG 3.4Å; E81-K85 PolarHBondContact O-N 3.43Å; E81-K85 VanDerWaalsContact OE1-CE 3.22Å; E81-K85 WeakPolarHBondContact OE1-CE 3.37Å; E81-K85 IonicContact OE1-NZ 3.75Å; E81-K85 PolarHBondContact OE1-NZ 2.98Å; E81-K85 IonicContact OE2-NZ 2.84Å
82	K	51.2	Low	51	Low	110 Å²	110	72.3 Å²	72.3	48%	0.478	36%	0.358	S	S	.	.	H	α-helix	trans	-66.2	-44.6	173.9	-73.4	171.2	-162.4	154.7	0	111.4	Q78 D79 Y80 K85 L86	Q78-K82 WeakPolarHBondContact O-CG 3.46Å; Q78-K82 PolarHBondContact O-N 2.98Å; D79-K82 WeakPolarHBondContact O-CB 3.29Å; D79-K82 PolarHBondContact O-N 2.83Å; D79-K82 IonicContact OD1-NZ 3.89Å; D79-K82 PolarHBondContact OD1-NZ 2.8Å; Y80-K82 VanDerWaalsContact C-N 3.35Å; Y80-K82 PolarHBondContact O-N 3.32Å; K82-K85 WeakPolarHBondContact O-CB 3.39Å; K82-K85 PolarHBondContact O-N 3.15Å; K82-L86 WeakPolarHBondContact O-CB 3.49Å; K82-L86 VanDerWaalsContact O-CG 3.31Å; K82-L86 WeakPolarHBondContact O-CG 3.3Å; K82-L86 PolarHBondContact O-N 3.07Å
83	D	49.4	Very low	50.8	Low	92 Å²	92	79.9 Å²	79.9	49%	0.492	39%	0.385	S	S	.	.	H	α-helix	trans	-63.6	-42.9	178.1	-78.8	-10.6	0	0	0	110.9	D79 Y80 K85 L86 V87	D79-D83 WeakPolarHBondContact O-CB 3.32Å; D79-D83 PolarHBondContact O-N 3.07Å; Y80-D83 PolarHBondContact O-N 3.33Å; D83-K85 PolarHBondContact O-N 3.34Å; D83-L86 PolarHBondContact O-N 3.15Å; D83-V87 VanDerWaalsContact O-CG2 3.27Å; D83-V87 WeakPolarHBondContact O-CG2 3.2Å; D83-V87 PolarHBondContact O-N 3.39Å
84	L	45.7	Very low	50.8	Low	84 Å²	84	85.4 Å²	85.4	44%	0.44	41%	0.409	S	S	.	.	H	α-helix	trans	-62.8	-41.1	174.4	-122.4	125.4	0	0	0	111.9	Y80 L86 V87 V88	Y80-L84 HydrophobicContact CD1-CD1 3.81Å; Y80-L84 HydrophobicContact CE1-CD1 3.23Å; Y80-L84 WeakPolarHBondContact O-CB 3.47Å; Y80-L84 PolarHBondContact O-N 3.39Å; L84-L86 VanDerWaalsContact C-N 3.33Å; L84-L86 PolarHBondContact O-N 3.23Å; L84-V87 PolarHBondContact O-N 2.96Å; L84-V88 WeakPolarHBondContact O-CB 3.1Å; L84-V88 VanDerWaalsContact O-CG2 3.25Å; L84-V88 WeakPolarHBondContact O-CG2 3.15Å; L84-V88 PolarHBondContact O-N 3.36Å
85	K	47.3	Very low	50.6	Low	111 Å²	111	91 Å²	91	48%	0.483	44%	0.438	S	S	.	.	H	α-helix	trans	-64.1	-37.1	174.3	-79.3	171.4	-173.9	159	0	112.2	E81 K82 D83 K89	E81-K85 VanDerWaalsContact CD-NZ 3.27Å; E81-K85 HydrophobicContact CG-CD 4.49Å; E81-K85 WeakPolarHBondContact O-CB 3.49Å; E81-K85 VanDerWaalsContact O-CG 3.25Å; E81-K85 WeakPolarHBondContact O-CG 3.4Å; E81-K85 PolarHBondContact O-N 3.43Å; E81-K85 VanDerWaalsContact OE1-CE 3.22Å; E81-K85 WeakPolarHBondContact OE1-CE 3.37Å; E81-K85 IonicContact OE1-NZ 3.75Å; E81-K85 PolarHBondContact OE1-NZ 2.98Å; E81-K85 IonicContact OE2-NZ 2.84Å; K82-K85 WeakPolarHBondContact O-CB 3.39Å; K82-K85 PolarHBondContact O-N 3.15Å; D83-K85 PolarHBondContact O-N 3.34Å; K85-K89 WeakPolarHBondContact O-CB 2.97Å; K85-K89 PolarHBondContact O-N 3.46Å
86	L	47.4	Very low	50.4	Low	110 Å²	110	89.4 Å²	89.4	58%	0.576	44%	0.442	S	S	*	.	H	α-helix	trans	-69.3	-40.8	176	-73.2	170.1	0	0	0	111.4	K82 D83 L84 K89 S90	K82-L86 WeakPolarHBondContact O-CB 3.49Å; K82-L86 VanDerWaalsContact O-CG 3.31Å; K82-L86 WeakPolarHBondContact O-CG 3.3Å; K82-L86 PolarHBondContact O-N 3.07Å; D83-L86 PolarHBondContact O-N 3.15Å; L84-L86 VanDerWaalsContact C-N 3.33Å; L84-L86 PolarHBondContact O-N 3.23Å; L86-K89 PolarHBondContact O-N 3.19Å; L86-S90 WeakPolarHBondContact O-CB 3.36Å; L86-S90 PolarHBondContact O-N 3.46Å; L86-S90 PolarHBondContact O-OG 2.95Å
87	V	48.7	Very low	50	Low	59 Å²	59	90.3 Å²	90.3	36%	0.358	46%	0.455	S	S	.	.	H	α-helix	trans	-62.6	-46.5	174.6	172	0	0	0	0	110.5	D83 L84 K89 S90 L91	D83-V87 VanDerWaalsContact O-CG2 3.27Å; D83-V87 WeakPolarHBondContact O-CG2 3.2Å; D83-V87 PolarHBondContact O-N 3.39Å; L84-V87 PolarHBondContact O-N 2.96Å; V87-K89 PolarHBondContact O-N 3.27Å; V87-S90 WeakPolarHBondContact CA-OG 3.25Å; V87-S90 PolarHBondContact O-N 2.93Å; V87-S90 VanDerWaalsContact O-N 3.16Å; V87-S90 PolarHBondContact O-OG 2.66Å; V87-L91 HydrophobicContact CG1-CD1 4.35Å; V87-L91 PolarHBondContact O-N 2.85Å; V87-L91 VanDerWaalsContact O-N 3.12Å
88	V	47.7	Very low	49.9	Very low	77 Å²	77	92.8 Å²	92.8	47%	0.467	46%	0.46	S	S	.	.	H	α-helix	trans	-66.9	-35.2	176.9	174.4	0	0	0	0	112.3	L84 S90 L91	L84-V88 WeakPolarHBondContact O-CB 3.1Å; L84-V88 VanDerWaalsContact O-CG2 3.25Å; L84-V88 WeakPolarHBondContact O-CG2 3.15Å; L84-V88 PolarHBondContact O-N 3.36Å; V88-S90 VanDerWaalsContact C-N 3.35Å; V88-L91 WeakPolarHBondContact O-CB 3.2Å; V88-L91 PolarHBondContact O-N 3.27Å
89	K	47.3	Very low	50.1	Low	170 Å²	170	89.9 Å²	89.9	74%	0.739	45%	0.447	S	S	*	.	H	α-helix	trans	-67.2	-36	170.9	-112.6	-180	173.2	-179.9	0	112.3	K85 L86 V87 L91 D92	K85-K89 WeakPolarHBondContact O-CB 2.97Å; K85-K89 PolarHBondContact O-N 3.46Å; L86-K89 PolarHBondContact O-N 3.19Å; V87-K89 PolarHBondContact O-N 3.27Å; K89-L91 PolarHBondContact O-N 3.01Å; K89-D92 PolarHBondContact O-N 3.26Å
90	S	47.7	Very low	50.3	Low	67 Å²	67	91.6 Å²	91.6	47%	0.469	46%	0.456	S	S	.	.	H	α-helix	trans	-72	-16	178.5	77.3	0	0	0	0	113.4	L86 V87 V88 D92 R93	L86-S90 WeakPolarHBondContact O-CB 3.36Å; L86-S90 PolarHBondContact O-N 3.46Å; L86-S90 PolarHBondContact O-OG 2.95Å; V87-S90 WeakPolarHBondContact CA-OG 3.25Å; V87-S90 PolarHBondContact O-N 2.93Å; V87-S90 VanDerWaalsContact O-N 3.16Å; V87-S90 PolarHBondContact O-OG 2.66Å; V88-S90 VanDerWaalsContact C-N 3.35Å; S90-D92 VanDerWaalsContact C-N 3.35Å; S90-R93 WeakPolarHBondContact O-CG 3.42Å
91	L	47.3	Very low	50.5	Low	40 Å²	40	87 Å²	87	21%	0.209	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-17.3	172	-85.8	147	0	0	0	113.2	V87 V88 K89 S107	V87-L91 HydrophobicContact CG1-CD1 4.35Å; V87-L91 PolarHBondContact O-N 2.85Å; V87-L91 VanDerWaalsContact O-N 3.12Å; V88-L91 WeakPolarHBondContact O-CB 3.2Å; V88-L91 PolarHBondContact O-N 3.27Å; K89-L91 PolarHBondContact O-N 3.01Å; L91-S107 WeakPolarHBondContact CD2-OG 3.38Å
92	D	53.7	Low	51	Low	36 Å²	36	91 Å²	91	19%	0.193	46%	0.456	C	S	.	.			trans	-103.4	62.5	174.7	-165.5	0.8	0	0	0	111	K89 S90 K94 N95 A96 I140	K89-D92 PolarHBondContact O-N 3.26Å; S90-D92 VanDerWaalsContact C-N 3.35Å; D92-K94 PolarHBondContact O-N 2.91Å; D92-N95 PolarHBondContact O-N 3.48Å; D92-N95 WeakPolarHBondContact OD1-CA 3.26Å; D92-N95 PolarHBondContact OD1-N 2.93Å; D92-A96 PolarHBondContact OD1-N 2.9Å; D92-I140 HydrophobicContact CB-CD1 4.42Å
93	R	53.5	Low	51.5	Low	188 Å²	188	87.7 Å²	87.7	71%	0.709	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-12.6	-178.9	-80.3	-173.8	175.4	164.7	4.5	114.1	S90 D110	S90-R93 WeakPolarHBondContact O-CG 3.42Å; R93-D110 IonicContact NH2-OD2 2.61Å
94	K	51.3	Low	51.9	Low	151 Å²	151	84.6 Å²	84.6	66%	0.657	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	2	-176.2	-72.4	-177.6	-174.5	142.6	0	115.2	D92 A96 E103	D92-K94 PolarHBondContact O-N 2.91Å; K94-A96 PolarHBondContact O-N 3.45Å; K94-E103 WeakPolarHBondContact CE-OE1 3.45Å; K94-E103 IonicContact NZ-OE1 3.64Å; K94-E103 PolarHBondContact NZ-OE1 2.97Å
95	N	49.3	Very low	52.3	Low	152 Å²	152	81.6 Å²	81.6	81%	0.813	41%	0.41	S	S	*	.			trans	52.7	37.2	179.6	-106.4	-1.3	0	0	0	112.8	D92	D92-N95 PolarHBondContact O-N 3.48Å; D92-N95 WeakPolarHBondContact OD1-CA 3.26Å; D92-N95 PolarHBondContact OD1-N 2.93Å
96	A	52.4	Low	52.6	Low	64 Å²	64	81.7 Å²	81.7	53%	0.529	41%	0.412	S	S	.	.			trans	-104	-4.3	-174.5	0	0	0	0	0	113.1	D92 K94 R98	D92-A96 PolarHBondContact OD1-N 2.9Å; K94-A96 PolarHBondContact O-N 3.45Å; A96-R98 PolarHBondContact O-N 2.96Å; A96-R98 VanDerWaalsContact O-N 3.13Å
97	G	50.8	Low	52.9	Low	31 Å²	31	77.4 Å²	77.4	32%	0.32	39%	0.391	S	S	.	.	S	Bend	trans	63.4	16.5	179.6	0	0	0	0	0	114.5
98	R	51.7	Low	53	Low	129 Å²	129	76.9 Å²	76.9	49%	0.487	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	128.1	-176.5	-69.3	-179.4	-179.4	-170.6	1.7	109.9	A96 N137 T138	A96-R98 PolarHBondContact O-N 2.96Å; A96-R98 VanDerWaalsContact O-N 3.13Å; R98-N137 HydrophobicContact CB-CB 4.15Å; R98-N137 HydrophobicContact CG-CB 4.26Å; R98-T138 WeakPolarHBondContact CA-O 3.41Å
99	I	56.7	Low	53.2	Low	28 Å²	28	79 Å²	79	14%	0.144	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.7	-179.1	-58.6	172.8	0	0	0	109.3	L104 I140	I99-L104 HydrophobicContact CG2-CB 4.19Å; I99-L104 HydrophobicContact CG2-CD1 4.41Å; I99-I140 HydrophobicContact CD1-CD1 4.29Å; I99-I140 HydrophobicContact CD1-CG1 3.95Å; I99-I140 HydrophobicContact CG1-CD1 4.04Å; I99-I140 HydrophobicContact CG1-CG1 3.91Å
100	D	58.2	Low	53.3	Low	71 Å²	71	75.8 Å²	75.8	38%	0.38	38%	0.377	S	S	.	.			trans	-90.9	150.6	174.4	-169.6	10.6	0	0	0	111.3	K102 E103 L104	D100-K102 PolarHBondContact O-N 3.44Å; D100-E103 PolarHBondContact O-N 2.98Å; D100-L104 PolarHBondContact O-N 3.39Å
101	A	55.9	Low	53.1	Low	9 Å²	9	77.9 Å²	77.9	7%	0.074	38%	0.383	C	S	.	.	H	α-helix	trans	-59.6	-31.5	-177	0	0	0	0	0	112.9	M105 A120 E121 L124	A101-M105 WeakPolarHBondContact O-CB 3.27Å; A101-M105 PolarHBondContact O-N 2.97Å; A101-M105 VanDerWaalsContact O-N 3.1Å; A101-A120 HydrophobicContact CB-CB 4.49Å; A101-E121 HydrophobicContact CB-CG 3.84Å; A101-L124 HydrophobicContact CB-CD1 3.56Å
102	K	58.1	Low	52.6	Low	131 Å²	131	78.8 Å²	78.8	57%	0.57	40%	0.402	S	S	*	.	H	α-helix	trans	-71.1	-37.6	174.4	-72	178.4	-179.2	173.8	0	112.4	D100 M105 Q106 L117	D100-K102 PolarHBondContact O-N 3.44Å; K102-M105 PolarHBondContact O-N 3.46Å; K102-Q106 WeakPolarHBondContact O-CB 3.37Å; K102-Q106 PolarHBondContact O-N 2.89Å; K102-L117 HydrophobicContact CG-CD1 3.84Å
103	E	61.5	Low	51.9	Low	41 Å²	41	80.6 Å²	80.6	19%	0.192	41%	0.414	C	S	.	.	H	α-helix	trans	-72.2	-37.1	178.5	-73.2	178.2	175.3	0	0	111.6	K94 D100 Q106 S107	K94-E103 WeakPolarHBondContact CE-OE1 3.45Å; K94-E103 IonicContact NZ-OE1 3.64Å; K94-E103 PolarHBondContact NZ-OE1 2.97Å; D100-E103 PolarHBondContact O-N 2.98Å; E103-Q106 PolarHBondContact O-N 3.31Å; E103-S107 WeakPolarHBondContact O-CB 3.33Å; E103-S107 PolarHBondContact O-N 3.12Å; E103-S107 PolarHBondContact O-OG 3.49Å
104	L	58.1	Low	51.3	Low	27 Å²	27	78.9 Å²	78.9	14%	0.141	41%	0.413	C	S	.	.	H	α-helix	trans	-61.5	-48.4	171.1	-171.6	84.2	0	0	0	111.4	I99 D100 Q106 S107 L108 A120 V123 L124	I99-L104 HydrophobicContact CG2-CB 4.19Å; I99-L104 HydrophobicContact CG2-CD1 4.41Å; D100-L104 PolarHBondContact O-N 3.39Å; L104-Q106 VanDerWaalsContact C-N 3.34Å; L104-Q106 PolarHBondContact O-N 3.39Å; L104-S107 PolarHBondContact O-N 3.33Å; L104-L108 HydrophobicContact CD2-CD1 4.46Å; L104-L108 HydrophobicContact CG-CD1 4.01Å; L104-L108 WeakPolarHBondContact O-CB 3.25Å; L104-L108 VanDerWaalsContact O-CG 3.3Å; L104-L108 WeakPolarHBondContact O-CG 3.33Å; L104-L108 PolarHBondContact O-N 3.48Å; L104-A120 HydrophobicContact CD2-CB 4.15Å; L104-V123 HydrophobicContact CD2-CG1 4.5Å; L104-L124 HydrophobicContact CD2-CD1 4.39Å; L104-L124 HydrophobicContact CD2-CG 4.49Å
105	M	53.7	Low	51.5	Low	22 Å²	22	74.2 Å²	74.2	11%	0.108	40%	0.395	C	S	.	.	H	α-helix	trans	-62.9	-40.9	179.3	-174	-168.3	67.5	0	0	111.8	A101 K102 R109 I115 L117 A120	A101-M105 WeakPolarHBondContact O-CB 3.27Å; A101-M105 PolarHBondContact O-N 2.97Å; A101-M105 VanDerWaalsContact O-N 3.1Å; K102-M105 PolarHBondContact O-N 3.46Å; M105-R109 WeakPolarHBondContact O-CG 3.41Å; M105-R109 PolarHBondContact O-N 3.07Å; M105-I115 WeakPolarHBondContact CG-O 3.44Å; M105-L117 HydrophobicContact CE-CD1 4.31Å; M105-L117 HydrophobicContact SD-CB 4.37Å; M105-L117 HydrophobicContact SD-CD1 4.07Å; M105-A120 HydrophobicContact CB-CB 4.37Å
106	Q	54	Low	51.9	Low	112 Å²	112	69.9 Å²	69.9	52%	0.523	38%	0.376	S	S	.	.	H	α-helix	trans	-68.9	-40.9	179.9	-158.5	116.2	4	0	0	111.6	K102 E103 L104 L108 R109 D110	K102-Q106 WeakPolarHBondContact O-CB 3.37Å; K102-Q106 PolarHBondContact O-N 2.89Å; E103-Q106 PolarHBondContact O-N 3.31Å; L104-Q106 VanDerWaalsContact C-N 3.34Å; L104-Q106 PolarHBondContact O-N 3.39Å; Q106-L108 PolarHBondContact O-N 2.86Å; Q106-R109 WeakPolarHBondContact O-CB 3.4Å; Q106-R109 PolarHBondContact O-N 2.87Å; Q106-D110 PolarHBondContact O-N 3.49Å
107	S	53.3	Low	51.9	Low	20 Å²	20	70.1 Å²	70.1	14%	0.14	37%	0.368	C	S	.	.	H	α-helix	trans	-68.4	-35.8	178.8	-54.5	0	0	0	0	112.3	L91 E103 L104 D110 L111	L91-S107 WeakPolarHBondContact CD2-OG 3.38Å; E103-S107 WeakPolarHBondContact O-CB 3.33Å; E103-S107 PolarHBondContact O-N 3.12Å; E103-S107 PolarHBondContact O-OG 3.49Å; L104-S107 PolarHBondContact O-N 3.33Å; S107-D110 PolarHBondContact O-N 2.89Å; S107-L111 WeakPolarHBondContact O-CG 3.42Å; S107-L111 PolarHBondContact O-N 2.96Å
108	L	51.4	Low	51.9	Low	48 Å²	48	75.7 Å²	75.7	25%	0.251	39%	0.386	S	S	.	.	H	α-helix	trans	-70.7	-33.8	173.9	-70.3	169	0	0	0	111.8	L104 Q106 L111 G112 V113 I115	L104-L108 HydrophobicContact CD2-CD1 4.46Å; L104-L108 HydrophobicContact CG-CD1 4.01Å; L104-L108 WeakPolarHBondContact O-CB 3.25Å; L104-L108 VanDerWaalsContact O-CG 3.3Å; L104-L108 WeakPolarHBondContact O-CG 3.33Å; L104-L108 PolarHBondContact O-N 3.48Å; Q106-L108 PolarHBondContact O-N 2.86Å; L108-L111 CarbonylContact O-C 3.13Å; L108-L111 PolarHBondContact O-N 2.98Å; L108-G112 PolarHBondContact O-N 3.49Å; L108-V113 CarbonylContact C-O 3.57Å; L108-V113 HydrophobicContact CB-CB 4.48Å; L108-V113 CarbonylContact O-C 3.56Å; L108-V113 WeakPolarHBondContact O-CA 3.23Å; L108-V113 PolarHBondContact O-N 3.46Å; L108-I115 HydrophobicContact CD1-CD1 3.65Å; L108-I115 HydrophobicContact CD1-CG1 4.46Å
109	R	50.7	Low	51.9	Low	121 Å²	121	75.2 Å²	75.2	46%	0.457	39%	0.389	S	S	.	.	H	α-helix	trans	-65.8	-40.9	170.1	-79.5	-173.6	-166.7	-173.6	4.1	112.8	M105 Q106 L111 G112 V113	M105-R109 WeakPolarHBondContact O-CG 3.41Å; M105-R109 PolarHBondContact O-N 3.07Å; Q106-R109 WeakPolarHBondContact O-CB 3.4Å; Q106-R109 PolarHBondContact O-N 2.87Å; R109-L111 PolarHBondContact O-N 3.24Å; R109-G112 PolarHBondContact O-N 2.92Å; R109-V113 PolarHBondContact N-O 3.42Å
110	D	49.6	Very low	51.8	Low	104 Å²	104	73.9 Å²	73.9	56%	0.556	38%	0.383	S	S	*	.	H	α-helix	trans	-63	-23.8	175.7	-71.4	-5.4	0	0	0	111.5	R93 Q106 S107	R93-D110 IonicContact NH2-OD2 2.61Å; Q106-D110 PolarHBondContact O-N 3.49Å; S107-D110 PolarHBondContact O-N 2.89Å
111	L	44.8	Very low	51.5	Low	111 Å²	111	74.4 Å²	74.4	58%	0.581	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	6.4	173.4	-69.3	165.4	0	0	0	113.9	S107 L108 R109	S107-L111 WeakPolarHBondContact O-CG 3.42Å; S107-L111 PolarHBondContact O-N 2.96Å; L108-L111 CarbonylContact O-C 3.13Å; L108-L111 PolarHBondContact O-N 2.98Å; R109-L111 PolarHBondContact O-N 3.24Å
112	G	35	Very low	51.4	Low	59 Å²	59	77.2 Å²	77.2	61%	0.608	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	9.9	176.5	0	0	0	0	0	115.5	L108 R109	L108-G112 PolarHBondContact O-N 3.49Å; R109-G112 PolarHBondContact O-N 2.92Å
113	V	39.1	Very low	51.1	Low	74 Å²	74	73.8 Å²	73.8	45%	0.448	39%	0.389	S	S	.	.			trans	-107.5	109.8	179.6	-174.7	0	0	0	0	110	L108 R109 I115	L108-V113 CarbonylContact C-O 3.57Å; L108-V113 HydrophobicContact CB-CB 4.48Å; L108-V113 CarbonylContact O-C 3.56Å; L108-V113 WeakPolarHBondContact O-CA 3.23Å; L108-V113 PolarHBondContact O-N 3.46Å; R109-V113 PolarHBondContact N-O 3.42Å; V113-I115 HydrophobicContact CG1-CD1 4.21Å; V113-I115 HydrophobicContact CG1-CG1 3.96Å; V113-I115 PolarHBondContact O-N 3.45Å
114	H	41.7	Very low	50.8	Low	152 Å²	152	72.7 Å²	72.7	70%	0.704	39%	0.385	S	S	*	.			trans	-86.8	107.9	179.4	-75.5	-79.5	0	0	0	111.6
115	I	55.9	Low	50.6	Low	53 Å²	53	78.3 Å²	78.3	27%	0.272	41%	0.408	S	S	.	.			trans	-112.7	145.4	173.7	-51.7	-169.3	0	0	0	109.9	M105 L108 V113 H119	M105-I115 WeakPolarHBondContact CG-O 3.44Å; L108-I115 HydrophobicContact CD1-CD1 3.65Å; L108-I115 HydrophobicContact CD1-CG1 4.46Å; V113-I115 HydrophobicContact CG1-CD1 4.21Å; V113-I115 HydrophobicContact CG1-CG1 3.96Å; V113-I115 PolarHBondContact O-N 3.45Å; I115-H119 HydrophobicContact CG2-CB 3.36Å
116	S	57.7	Low	50.3	Low	60 Å²	60	87 Å²	87	42%	0.42	44%	0.439	S	S	.	.			trans	-79.7	151.9	175	70.1	0	0	0	0	111.8	Q118 H119 A120	S116-Q118 PolarHBondContact O-N 3.18Å; S116-Q118 VanDerWaalsContact O-N 3.16Å; S116-H119 PolarHBondContact O-N 3.29Å; S116-H119 PolarHBondContact OG-ND1 3.05Å; S116-H119 VanDerWaalsContact OG-ND1 3.16Å; S116-A120 PolarHBondContact O-N 3.31Å; S116-A120 VanDerWaalsContact O-N 3.09Å
117	L	52.6	Low	49.9	Very low	69 Å²	69	84.4 Å²	84.4	36%	0.361	43%	0.427	S	S	.	.	H	α-helix	trans	-55.2	-37.5	-177.1	-164.4	83.3	0	0	0	112.3	K102 M105 H119 A120 E121	K102-L117 HydrophobicContact CG-CD1 3.84Å; M105-L117 HydrophobicContact CE-CD1 4.31Å; M105-L117 HydrophobicContact SD-CB 4.37Å; M105-L117 HydrophobicContact SD-CD1 4.07Å; L117-H119 PolarHBondContact O-N 2.74Å; L117-A120 PolarHBondContact O-N 3.05Å; L117-E121 WeakPolarHBondContact O-CG 3.03Å; L117-E121 PolarHBondContact O-N 3.34Å
118	Q	50.5	Low	49.3	Very low	149 Å²	149	85.5 Å²	85.5	70%	0.696	43%	0.433	S	S	*	.	H	α-helix	trans	-66.3	-34.2	177.4	-69.1	-176.6	-21.5	0	0	113	S116 T122	S116-Q118 PolarHBondContact O-N 3.18Å; S116-Q118 VanDerWaalsContact O-N 3.16Å; Q118-T122 WeakPolarHBondContact O-CB 3.23Å; Q118-T122 PolarHBondContact O-N 3.09Å; Q118-T122 PolarHBondContact O-OG1 3Å
119	H	51.8	Low	48.8	Very low	118 Å²	118	86.6 Å²	86.6	55%	0.546	44%	0.443	S	S	.	.	H	α-helix	trans	-73.7	-39.3	176.1	-86.3	77.9	0	0	0	111.3	I115 S116 L117 E121 T122 V123	I115-H119 HydrophobicContact CG2-CB 3.36Å; S116-H119 PolarHBondContact O-N 3.29Å; S116-H119 PolarHBondContact OG-ND1 3.05Å; S116-H119 VanDerWaalsContact OG-ND1 3.16Å; L117-H119 PolarHBondContact O-N 2.74Å; H119-E121 VanDerWaalsContact C-N 3.35Å; H119-E121 PolarHBondContact O-N 3.46Å; H119-T122 PolarHBondContact O-N 3.4Å; H119-V123 VanDerWaalsContact O-CG2 3.31Å; H119-V123 WeakPolarHBondContact O-CG2 3.37Å; H119-V123 PolarHBondContact O-N 2.86Å
120	A	53.3	Low	48.3	Very low	1 Å²	1	88 Å²	88	1%	0.008	46%	0.459	C	S	.	.	H	α-helix	trans	-61.3	-42.7	174.3	0	0	0	0	0	111.9	A101 L104 M105 S116 L117 T122 V123 L124	A101-A120 HydrophobicContact CB-CB 4.49Å; L104-A120 HydrophobicContact CD2-CB 4.15Å; M105-A120 HydrophobicContact CB-CB 4.37Å; S116-A120 PolarHBondContact O-N 3.31Å; S116-A120 VanDerWaalsContact O-N 3.09Å; L117-A120 PolarHBondContact O-N 3.05Å; A120-T122 VanDerWaalsContact C-N 3.35Å; A120-T122 PolarHBondContact O-N 2.94Å; A120-V123 PolarHBondContact O-N 3.36Å; A120-L124 PolarHBondContact O-N 3.44Å
121	E	53.8	Low	48.1	Very low	81 Å²	81	92.3 Å²	92.3	38%	0.379	48%	0.476	S	S	.	.	H	α-helix	trans	-65.6	-35.3	173.8	-74.2	178.9	-172.1	0	0	112.9	A101 L117 H119 L124 K125	A101-E121 HydrophobicContact CB-CG 3.84Å; L117-E121 WeakPolarHBondContact O-CG 3.03Å; L117-E121 PolarHBondContact O-N 3.34Å; H119-E121 VanDerWaalsContact C-N 3.35Å; H119-E121 PolarHBondContact O-N 3.46Å; E121-L124 PolarHBondContact O-N 3.36Å; E121-K125 WeakPolarHBondContact O-CB 3.31Å; E121-K125 VanDerWaalsContact O-CG 3.29Å; E121-K125 WeakPolarHBondContact O-CG 3.38Å; E121-K125 PolarHBondContact O-N 2.88Å
122	T	52	Low	48.2	Very low	69 Å²	69	90.9 Å²	90.9	42%	0.423	47%	0.472	S	S	.	.	H	α-helix	trans	-69.6	-39.8	177.9	-56.7	0	0	0	0	111.6	Q118 H119 A120 K125 R126	Q118-T122 WeakPolarHBondContact O-CB 3.23Å; Q118-T122 PolarHBondContact O-N 3.09Å; Q118-T122 PolarHBondContact O-OG1 3Å; H119-T122 PolarHBondContact O-N 3.4Å; A120-T122 VanDerWaalsContact C-N 3.35Å; A120-T122 PolarHBondContact O-N 2.94Å; T122-K125 PolarHBondContact O-N 3.24Å; T122-R126 PolarHBondContact O-N 2.9Å
123	V	53	Low	48.5	Very low	58 Å²	58	98.8 Å²	98.8	35%	0.352	48%	0.483	S	S	.	.	H	α-helix	trans	-62	-47.5	173.5	170.6	0	0	0	0	109.9	L104 H119 A120 K125 R126 H127	L104-V123 HydrophobicContact CD2-CG1 4.5Å; H119-V123 VanDerWaalsContact O-CG2 3.31Å; H119-V123 WeakPolarHBondContact O-CG2 3.37Å; H119-V123 PolarHBondContact O-N 2.86Å; A120-V123 PolarHBondContact O-N 3.36Å; V123-K125 VanDerWaalsContact C-N 3.34Å; V123-K125 PolarHBondContact O-N 3.45Å; V123-R126 PolarHBondContact O-N 2.92Å; V123-H127 PolarHBondContact O-CD2 2.98Å; V123-H127 PolarHBondContact O-N 3.09Å
124	L	55.3	Low	48.7	Very low	19 Å²	19	99.2 Å²	99.2	10%	0.099	50%	0.502	C	S	.	.	H	α-helix	trans	-63.3	-36.7	176.5	-80.7	157.7	0	0	0	113.3	A101 L104 A120 E121 H127 T128 T138	A101-L124 HydrophobicContact CB-CD1 3.56Å; L104-L124 HydrophobicContact CD2-CD1 4.39Å; L104-L124 HydrophobicContact CD2-CG 4.49Å; A120-L124 PolarHBondContact O-N 3.44Å; E121-L124 PolarHBondContact O-N 3.36Å; L124-H127 PolarHBondContact O-N 3.14Å; L124-T128 PolarHBondContact O-N 2.65Å; L124-T128 PolarHBondContact O-OG1 2.96Å; L124-T138 WeakPolarHBondContact CD2-OG1 3.45Å
125	K	53.3	Low	48.8	Very low	144 Å²	144	94.3 Å²	94.3	63%	0.626	49%	0.488	S	S	*	.	H	α-helix	trans	-68.8	-30.6	174.9	-81.1	174.8	-178	169.8	0	113.6	E121 T122 V123 H127 T128	E121-K125 WeakPolarHBondContact O-CB 3.31Å; E121-K125 VanDerWaalsContact O-CG 3.29Å; E121-K125 WeakPolarHBondContact O-CG 3.38Å; E121-K125 PolarHBondContact O-N 2.88Å; T122-K125 PolarHBondContact O-N 3.24Å; V123-K125 VanDerWaalsContact C-N 3.34Å; V123-K125 PolarHBondContact O-N 3.45Å; K125-H127 VanDerWaalsContact C-N 3.33Å; K125-T128 WeakPolarHBondContact CA-OG1 3.23Å; K125-T128 PolarHBondContact O-OG1 2.81Å
126	R	47.7	Very low	48.2	Very low	205 Å²	205	100.5 Å²	100.5	77%	0.774	52%	0.515	S	S	*	.	H	α-helix	trans	-71.3	-30.5	173.5	-85.9	-174.9	-175.3	164.2	1.8	112.3	T122 V123	T122-R126 PolarHBondContact O-N 2.9Å; V123-R126 PolarHBondContact O-N 2.92Å
127	H	45.3	Very low	47.6	Very low	57 Å²	57	100.7 Å²	100.7	26%	0.264	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	12.2	-177	-64.4	-65.1	0	0	0	114.2	V123 L124 K125 T138 F143	V123-H127 PolarHBondContact O-CD2 2.98Å; V123-H127 PolarHBondContact O-N 3.09Å; L124-H127 PolarHBondContact O-N 3.14Å; K125-H127 VanDerWaalsContact C-N 3.33Å; H127-T138 WeakPolarHBondContact O-CG2 3.33Å; H127-F143 HydrophobicContact CB-CD2 4.49Å; H127-F143 HydrophobicContact CB-CE2 3.78Å; H127-F143 HydrophobicContact CB-CZ 4.12Å; H127-F143 AromaticContact CD2-CZ 3.64Å; H127-F143 AromaticContact CG-CZ 3.88Å
128	T	41.2	Very low	47.4	Very low	44 Å²	44	97.9 Å²	97.9	27%	0.27	50%	0.498	S	S	.	.	S	Bend	trans	-109.3	126.5	174.2	24.5	0	0	0	0	111.3	L124 K125 T138	L124-T128 PolarHBondContact O-N 2.65Å; L124-T128 PolarHBondContact O-OG1 2.96Å; K125-T128 WeakPolarHBondContact CA-OG1 3.23Å; K125-T128 PolarHBondContact O-OG1 2.81Å; T128-T138 HydrophobicContact CG2-CG2 3.5Å; T128-T138 WeakPolarHBondContact CG2-OG1 3.45Å
129	P	39.9	Very low	47	Very low	71 Å²	71	97 Å²	97	46%	0.461	49%	0.491	S	S	.	.			trans	-62.2	151.5	178.8	-20.6	31.2	0	0	0	113.7	E131 T132	P129-E131 PolarHBondContact O-N 3.28Å; P129-T132 PolarHBondContact O-N 3.39Å
130	L	42	Very low	46.7	Very low	151 Å²	151	94 Å²	94	79%	0.791	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-58.8	-24.9	-171	-140.8	84.2	0	0	0	114.6	T132	L130-T132 PolarHBondContact O-N 2.98Å
131	E	44.4	Very low	46	Very low	194 Å²	194	97.8 Å²	97.8	91%	0.907	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-81.9	-7.6	-175.1	-64	-172.5	159.7	0	0	114.6	P129	P129-E131 PolarHBondContact O-N 3.28Å
132	T	47.1	Very low	45.4	Very low	81 Å²	81	97.8 Å²	97.8	50%	0.497	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-122.6	31.6	-175.4	-13.5	0	0	0	0	113.9	P129 L130 G134 A135	P129-T132 PolarHBondContact O-N 3.39Å; L130-T132 PolarHBondContact O-N 2.98Å; T132-G134 PolarHBondContact O-N 3.01Å; T132-A135 PolarHBondContact O-N 3.03Å
133	R	40.3	Very low	44.8	Very low	225 Å²	225	97.4 Å²	97.4	85%	0.849	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	1.5	-179.3	-110.7	-178.1	-179.5	-174.1	1.3	116
134	G	43.6	Very low	44.1	Very low	82 Å²	82	101.7 Å²	101.7	85%	0.845	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-6	175.5	0	0	0	0	0	115.6	T132	T132-G134 PolarHBondContact O-N 3.01Å
135	A	43.8	Very low	43.2	Very low	50 Å²	50	106.2 Å²	106.2	41%	0.413	54%	0.54	S	S	.	.			trans	-116	120	179.7	0	0	0	0	0	110.6	T132 N137	T132-A135 PolarHBondContact O-N 3.03Å; A135-N137 PolarHBondContact O-N 3.05Å
136	H	42.8	Very low	42.3	Very low	182 Å²	182	104.4 Å²	104.4	84%	0.843	53%	0.534	S	S	*	.	S	Bend	trans	-65.5	7.2	-177.7	-82	-65.3	0	0	0	115.8
137	N	46.8	Very low	41.7	Very low	65 Å²	65	100.1 Å²	100.1	35%	0.348	52%	0.523	S	S	.	.			trans	-136.8	135.2	-169.4	-64.8	25.5	0	0	0	113.8	R98 A135	R98-N137 HydrophobicContact CB-CB 4.15Å; R98-N137 HydrophobicContact CG-CB 4.26Å; A135-N137 PolarHBondContact O-N 3.05Å
138	T	47.1	Very low	41	Very low	10 Å²	10	105.9 Å²	105.9	6%	0.061	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	140.2	-179	-25.1	0	0	0	0	112.4	R98 L124 H127 T128	R98-T138 WeakPolarHBondContact CA-O 3.41Å; L124-T138 WeakPolarHBondContact CD2-OG1 3.45Å; H127-T138 WeakPolarHBondContact O-CG2 3.33Å; T128-T138 HydrophobicContact CG2-CG2 3.5Å; T128-T138 WeakPolarHBondContact CG2-OG1 3.45Å
139	K	43.6	Very low	40.4	Very low	130 Å²	130	105.6 Å²	105.6	57%	0.565	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	132.9	174.8	-98.8	-179.6	175.2	178.7	0	111.6	S141 L142	K139-S141 VanDerWaalsContact C-N 3.29Å; K139-S141 PolarHBondContact O-N 3.34Å; K139-L142 HydrophobicContact CB-CD1 4.42Å; K139-L142 PolarHBondContact O-N 2.84Å
140	I	44.1	Very low	39.9	Very low	56 Å²	56	106.5 Å²	106.5	29%	0.287	54%	0.542	S	S	.	.	H	α-helix	trans	-60.5	-31.2	-176.2	-67.2	172.3	0	0	0	113.6	D92 I99 L142 F143	D92-I140 HydrophobicContact CB-CD1 4.42Å; I99-I140 HydrophobicContact CD1-CD1 4.29Å; I99-I140 HydrophobicContact CD1-CG1 3.95Å; I99-I140 HydrophobicContact CG1-CD1 4.04Å; I99-I140 HydrophobicContact CG1-CG1 3.91Å; I140-L142 PolarHBondContact O-N 3.36Å; I140-F143 WeakPolarHBondContact O-CB 3.27Å; I140-F143 PolarHBondContact O-N 3.44Å
141	S	39.5	Very low	39.4	Very low	80 Å²	80	105.3 Å²	105.3	56%	0.559	54%	0.537	S	S	*	.	H	α-helix	trans	-64.8	-22.4	179.2	59	0	0	0	0	114	K139	K139-S141 VanDerWaalsContact C-N 3.29Å; K139-S141 PolarHBondContact O-N 3.34Å
142	L	41.1	Very low	38.8	Very low	81 Å²	81	101.2 Å²	101.2	42%	0.424	53%	0.525	S	S	.	.	H	α-helix	trans	-78.7	-30.8	177.3	-75.7	162	0	0	0	112.3	K139 I140 H144 N145 H146	K139-L142 HydrophobicContact CB-CD1 4.42Å; K139-L142 PolarHBondContact O-N 2.84Å; I140-L142 PolarHBondContact O-N 3.36Å; L142-H144 VanDerWaalsContact C-N 3.28Å; L142-H144 PolarHBondContact O-N 3.21Å; L142-N145 PolarHBondContact O-N 3.43Å; L142-H146 PolarHBondContact O-N 2.76Å
143	F	39.4	Very low	37.9	Very low	60 Å²	60	103.9 Å²	103.9	26%	0.263	53%	0.532	S	S	.	.	H	α-helix	trans	-62.2	-39.5	174.4	-115.8	-90.6	0	0	0	111.2	H127 I140 N145 Q147	H127-F143 HydrophobicContact CB-CD2 4.49Å; H127-F143 HydrophobicContact CB-CE2 3.78Å; H127-F143 HydrophobicContact CB-CZ 4.12Å; H127-F143 AromaticContact CD2-CZ 3.64Å; H127-F143 AromaticContact CG-CZ 3.88Å; I140-F143 WeakPolarHBondContact O-CB 3.27Å; I140-F143 PolarHBondContact O-N 3.44Å; F143-N145 VanDerWaalsContact C-N 3.34Å; F143-N145 PolarHBondContact O-N 2.94Å; F143-Q147 WeakPolarHBondContact O-CB 3.18Å; F143-Q147 PolarHBondContact O-N 3.01Å
144	H	38	Very low	37.4	Very low	148 Å²	148	99.2 Å²	99.2	69%	0.685	52%	0.524	S	S	*	.	H	α-helix	trans	-65.7	-34.3	-178.8	-126.4	-0.3	0	0	0	113.5	L142	L142-H144 VanDerWaalsContact C-N 3.28Å; L142-H144 PolarHBondContact O-N 3.21Å
145	N	36.2	Very low	36.6	Very low	115 Å²	115	98.4 Å²	98.4	62%	0.615	51%	0.509	S	S	*	.	H	α-helix	trans	-82.3	-35.2	-178.1	-74.5	-8.8	0	0	0	112.8	L142 F143 A149	L142-N145 PolarHBondContact O-N 3.43Å; F143-N145 VanDerWaalsContact C-N 3.34Å; F143-N145 PolarHBondContact O-N 2.94Å; N145-A149 PolarHBondContact O-N 3.24Å
146	H	35.6	Very low	36.1	Very low	105 Å²	105	100.1 Å²	100.1	49%	0.486	52%	0.516	S	S	.	.	H	α-helix	trans	-77.5	-35.9	-177.3	-141	68.9	0	0	0	112.6	L142 R148 A149 E150	L142-H146 PolarHBondContact O-N 2.76Å; H146-R148 PolarHBondContact O-N 2.91Å; H146-A149 WeakPolarHBondContact O-CB 3.36Å; H146-A149 PolarHBondContact O-N 2.94Å; H146-E150 PolarHBondContact O-N 2.9Å
147	Q	33.8	Very low	35.4	Very low	116 Å²	116	98 Å²	98	54%	0.542	51%	0.507	S	S	.	.	H	α-helix	trans	-66.9	-29.2	174.8	-154.2	168.9	5.8	0	0	111.7	F143 N151	F143-Q147 WeakPolarHBondContact O-CB 3.18Å; F143-Q147 PolarHBondContact O-N 3.01Å; Q147-N151 WeakPolarHBondContact O-CB 3.35Å; Q147-N151 PolarHBondContact O-N 2.95Å
148	R	31.4	Very low	34.4	Very low	177 Å²	177	100.1 Å²	100.1	67%	0.668	52%	0.518	S	S	*	.	H	α-helix	trans	-71.1	-39.4	169.6	-159.9	173.3	176.9	138.9	-0.4	111.1	H146 T152	H146-R148 PolarHBondContact O-N 2.91Å; R148-T152 PolarHBondContact O-N 3.48Å; R148-T152 PolarHBondContact O-OG1 3.31Å
149	A	28.9	Very low	33.4	Very low	39 Å²	39	103.4 Å²	103.4	32%	0.322	54%	0.538	S	S	.	.	H	α-helix	trans	-68.1	-44.8	177.8	0	0	0	0	0	113.4	N145 H146 N151 T152 Q153	N145-A149 PolarHBondContact O-N 3.24Å; H146-A149 WeakPolarHBondContact O-CB 3.36Å; H146-A149 PolarHBondContact O-N 2.94Å; A149-N151 PolarHBondContact O-N 3.47Å; A149-T152 PolarHBondContact O-N 3.29Å; A149-Q153 PolarHBondContact O-N 3.38Å; A149-Q153 VanDerWaalsContact O-N 3.11Å
150	E	29	Very low	32.7	Very low	89 Å²	89	100.4 Å²	100.4	42%	0.416	53%	0.528	S	S	.	.	H	α-helix	trans	-66.9	-35.8	179.2	-81.7	-178	148.5	0	0	112.8	H146 T152 Q153 N154	H146-E150 PolarHBondContact O-N 2.9Å; E150-T152 VanDerWaalsContact C-N 3.34Å; E150-Q153 PolarHBondContact O-N 2.89Å; E150-N154 WeakPolarHBondContact O-CB 3.44Å; E150-N154 PolarHBondContact O-N 3.11Å; E150-N154 PolarHBondContact O-ND2 3.19Å
151	N	31.6	Very low	32	Very low	126 Å²	126	101.8 Å²	101.8	67%	0.674	53%	0.533	S	S	*	.	H	α-helix	trans	-76.5	-19.6	176.6	-78.5	-3.4	0	0	0	113.5	Q147 A149	Q147-N151 WeakPolarHBondContact O-CB 3.35Å; Q147-N151 PolarHBondContact O-N 2.95Å; A149-N151 PolarHBondContact O-N 3.47Å
152	T	31.6	Very low	31.5	Very low	108 Å²	108	101.9 Å²	101.9	66%	0.663	52%	0.524	S	S	*	.	H	α-helix	trans	-90.7	-15.8	175.1	-31.1	0	0	0	0	112.2	R148 A149 E150	R148-T152 PolarHBondContact O-N 3.48Å; R148-T152 PolarHBondContact O-OG1 3.31Å; A149-T152 PolarHBondContact O-N 3.29Å; E150-T152 VanDerWaalsContact C-N 3.34Å
153	Q	28.6	Very low	31.1	Very low	138 Å²	138	106 Å²	106	65%	0.645	54%	0.539	S	S	*	.	H	α-helix	trans	-95.6	-12.5	177.7	-76.2	-178.6	-30.7	0	0	114.1	A149 E150	A149-Q153 PolarHBondContact O-N 3.38Å; A149-Q153 VanDerWaalsContact O-N 3.11Å; E150-Q153 PolarHBondContact O-N 2.89Å
154	N	29.7	Very low	30.8	Very low	126 Å²	126	105.7 Å²	105.7	67%	0.674	54%	0.538	S	S	*	.	S	Bend	trans	-122.7	41.8	-171.3	-66.4	-30.9	0	0	0	114.7	E150	E150-N154 WeakPolarHBondContact O-CB 3.44Å; E150-N154 PolarHBondContact O-N 3.11Å; E150-N154 PolarHBondContact O-ND2 3.19Å
155	A	27.2	Very low	30.6	Very low	65 Å²	65	101.9 Å²	101.9	54%	0.537	52%	0.521	S	S	.	.	S	Bend	trans	-150.7	161.5	164.1	0	0	0	0	0	110.3	E157	A155-E157 PolarHBondContact O-N 3.34Å
156	P	31.3	Very low	30.5	Very low	86 Å²	86	98.4 Å²	98.4	56%	0.558	50%	0.504	S	S	*	.	S	Bend		-71.5	15	-99.5	37.1	-24.4	0	0	0	116.4	T159 L160	P156-T159 PolarHBondContact O-N 2.99Å; P156-L160 PolarHBondContact O-N 2.83Å; P156-L160 VanDerWaalsContact O-N 3.14Å
157	E	29.8	Very low	30.6	Very low	139 Å²	139	99.5 Å²	99.5	65%	0.65	51%	0.512	S	S	*	.	H	α-helix	trans	-69.3	-36.5	-175.2	-74.1	-176.5	155.2	0	0	113.1	A155 T159 L160 H161	A155-E157 PolarHBondContact O-N 3.34Å; E157-T159 PolarHBondContact O-N 3.33Å; E157-L160 PolarHBondContact O-N 3.48Å; E157-H161 PolarHBondContact O-N 2.86Å
158	N	25.3	Very low	30.9	Very low	108 Å²	108	96.1 Å²	96.1	58%	0.578	50%	0.495	S	S	*	.	H	α-helix	trans	-65.1	-38.5	174.8	-78.4	-19.6	0	0	0	112.1	L160 H161 E162	N158-L160 VanDerWaalsContact C-N 3.29Å; N158-L160 PolarHBondContact O-N 2.79Å; N158-H161 PolarHBondContact O-N 2.94Å; N158-E162 WeakPolarHBondContact O-CB 3.46Å; N158-E162 WeakPolarHBondContact O-CG 3.35Å; N158-E162 PolarHBondContact O-N 3.01Å
159	T	26.7	Very low	31.4	Very low	80 Å²	80	88.8 Å²	88.8	49%	0.491	47%	0.469	S	S	.	.	H	α-helix	trans	-72	-24.9	177.9	-28.2	0	0	0	0	112.4	P156 E157	P156-T159 PolarHBondContact O-N 2.99Å; E157-T159 PolarHBondContact O-N 3.33Å
160	L	28.7	Very low	32	Very low	66 Å²	66	87 Å²	87	35%	0.346	46%	0.455	S	S	.	.	H	α-helix	trans	-77.4	-40.8	176.5	-120.8	107	0	0	0	111.8	P156 E157 N158 H164 T181	P156-L160 PolarHBondContact O-N 2.83Å; P156-L160 VanDerWaalsContact O-N 3.14Å; E157-L160 PolarHBondContact O-N 3.48Å; N158-L160 VanDerWaalsContact C-N 3.29Å; N158-L160 PolarHBondContact O-N 2.79Å; L160-H164 PolarHBondContact O-ND1 3.24Å; L160-T181 HydrophobicContact CD2-CG2 3.53Å; L160-T181 HydrophobicContact CG-CG2 4.26Å
161	H	28.9	Very low	32.9	Very low	85 Å²	85	83.7 Å²	83.7	39%	0.394	44%	0.444	S	S	.	.	H	α-helix	trans	-68.6	-39.4	175.7	-145	6.7	0	0	0	110.5	E157 N158 K163 H164 H165 S473	E157-H161 PolarHBondContact O-N 2.86Å; N158-H161 PolarHBondContact O-N 2.94Å; H161-K163 PolarHBondContact O-N 3.49Å; H161-H164 PolarHBondContact O-N 2.74Å; H161-H165 AromaticContact CE1-CD2 3.56Å; H161-H165 AromaticContact CE1-NE2 3.1Å; H161-H165 PolarHBondContact CE1-NE2 2.86Å; H161-H165 AromaticContact ND1-CD2 3.24Å; H161-H165 PolarHBondContact ND1-CD2 3.07Å; H161-H165 AromaticContact ND1-NE2 3.18Å; H161-H165 PolarHBondContact ND1-NE2 3.06Å; H161-H165 VanDerWaalsContact ND1-NE2 3.18Å; H161-H165 PolarHBondContact O-CD2 2.85Å; H161-S473 PolarHBondContact NE2-OG 2.93Å
162	E	29.6	Very low	33.7	Very low	82 Å²	82	79.8 Å²	79.8	38%	0.383	42%	0.422	S	S	.	.	H	α-helix	trans	-60.2	-36.8	178.9	-80	174.3	161.2	0	0	114.3	N158 H164 H165 T166	N158-E162 WeakPolarHBondContact O-CB 3.46Å; N158-E162 WeakPolarHBondContact O-CG 3.35Å; N158-E162 PolarHBondContact O-N 3.01Å; E162-H164 VanDerWaalsContact C-N 3.31Å; E162-H164 PolarHBondContact O-N 3.38Å; E162-H165 PolarHBondContact O-N 3.28Å; E162-T166 PolarHBondContact O-OG1 3.21Å
163	K	31.6	Very low	34.6	Very low	167 Å²	167	78.6 Å²	78.6	73%	0.726	41%	0.411	S	S	*	.	H	α-helix	trans	-68.4	-26.4	179.5	-76.6	-179.3	-177.4	174.8	0	114	H161	H161-K163 PolarHBondContact O-N 3.49Å
164	H	33.4	Very low	35.3	Very low	54 Å²	54	73.9 Å²	73.9	25%	0.25	39%	0.39	C	S	.	.	H	α-helix	trans	-83.5	-12.7	-179.7	-71.1	87.9	0	0	0	113.2	L160 H161 E162 E184	L160-H164 PolarHBondContact O-ND1 3.24Å; H161-H164 PolarHBondContact O-N 2.74Å; E162-H164 VanDerWaalsContact C-N 3.31Å; E162-H164 PolarHBondContact O-N 3.38Å; H164-E184 IonicContact NE2-OE2 3.56Å
165	H	34.4	Very low	35.8	Very low	68 Å²	68	70.5 Å²	70.5	32%	0.315	37%	0.371	S	S	.	.	H	α-helix	trans	-126.2	1.1	-163.8	-69.2	-63.3	0	0	0	116.3	H161 E162	H161-H165 AromaticContact CE1-CD2 3.56Å; H161-H165 AromaticContact CE1-NE2 3.1Å; H161-H165 PolarHBondContact CE1-NE2 2.86Å; H161-H165 AromaticContact ND1-CD2 3.24Å; H161-H165 PolarHBondContact ND1-CD2 3.07Å; H161-H165 AromaticContact ND1-NE2 3.18Å; H161-H165 PolarHBondContact ND1-NE2 3.06Å; H161-H165 VanDerWaalsContact ND1-NE2 3.18Å; H161-H165 PolarHBondContact O-CD2 2.85Å; E162-H165 PolarHBondContact O-N 3.28Å
166	T	33.4	Very low	36.2	Very low	43 Å²	43	69.5 Å²	69.5	26%	0.264	36%	0.358	S	S	.	.			trans	-112.9	33.1	-166	42.2	0	0	0	0	116.6	E162	E162-T166 PolarHBondContact O-OG1 3.21Å
167	I	38.2	Very low	36.5	Very low	127 Å²	127	67.7 Å²	67.7	65%	0.651	35%	0.346	S	S	*	.			trans	-128.1	100.2	167.3	-52.1	178.2	0	0	0	109.3	D169	I167-D169 HydrophobicContact CG2-CB 4.23Å; I167-D169 PolarHBondContact O-N 3.43Å
168	F	38.9	Very low	37.1	Very low	45 Å²	45	65.6 Å²	65.6	20%	0.197	34%	0.34	C	S	.	.			trans	-74.7	74.7	167.7	-160	-91.4	0	0	0	107.8	V170 T389 V451 I452 V455	F168-V170 HydrophobicContact CD1-CG2 4.07Å; F168-V170 HydrophobicContact CE1-CG2 4.46Å; F168-V170 PolarHBondContact O-N 2.91Å; F168-T389 HydrophobicContact CD1-CG2 4.17Å; F168-T389 HydrophobicContact CE1-CG2 4.37Å; F168-V451 HydrophobicContact CD1-CG1 4.23Å; F168-V451 HydrophobicContact CE1-CG1 3.42Å; F168-V451 VanDerWaalsContact CE1-CG1 3.42Å; F168-V451 HydrophobicContact CZ-CG1 3.96Å; F168-I452 HydrophobicContact CZ-CG1 4.45Å; F168-V455 HydrophobicContact CD2-CB 4.39Å; F168-V455 HydrophobicContact CD2-CG1 3.84Å; F168-V455 HydrophobicContact CD2-CG2 4.12Å; F168-V455 HydrophobicContact CE1-CG2 4.36Å; F168-V455 HydrophobicContact CE2-CB 3.77Å; F168-V455 HydrophobicContact CE2-CG1 3.57Å; F168-V455 HydrophobicContact CE2-CG2 3.72Å; F168-V455 HydrophobicContact CZ-CB 4.19Å; F168-V455 HydrophobicContact CZ-CG1 4.46Å; F168-V455 HydrophobicContact CZ-CG2 3.85Å
169	D	42.8	Very low	38.1	Very low	23 Å²	23	64.1 Å²	64.1	12%	0.123	33%	0.329	C	S	.	.			trans	-68.7	107.5	-179.4	-171.5	8.2	0	0	0	108.9	I167 G171 N173 L174 Y353	I167-D169 HydrophobicContact CG2-CB 4.23Å; I167-D169 PolarHBondContact O-N 3.43Å; D169-G171 PolarHBondContact O-N 3.35Å; D169-G171 VanDerWaalsContact OD1-CA 3.27Å; D169-G171 WeakPolarHBondContact OD1-CA 3.35Å; D169-G171 PolarHBondContact OD1-N 2.76Å; D169-N173 WeakPolarHBondContact OD2-CB 3.29Å; D169-L174 HydrophobicContact CB-CD1 4.31Å; D169-L174 WeakPolarHBondContact O-CD1 3.32Å; D169-Y353 PolarHBondContact OD1-OH 2.63Å
170	V	42.3	Very low	39.4	Very low	3 Å²	3	60.8 Å²	60.8	2%	0.018	31%	0.308	C	S	.	.			trans	-73	-9.2	174.2	-169.4	0	0	0	0	110.1	F168 Q396 F448 V451	F168-V170 HydrophobicContact CD1-CG2 4.07Å; F168-V170 HydrophobicContact CE1-CG2 4.46Å; F168-V170 PolarHBondContact O-N 2.91Å; V170-Q396 PolarHBondContact O-NE2 3.41Å; V170-F448 HydrophobicContact CG1-CD1 3.97Å; V170-F448 HydrophobicContact CG1-CE1 3.86Å; V170-V451 HydrophobicContact CB-CG1 4.45Å; V170-V451 HydrophobicContact CB-CG2 4.48Å; V170-V451 HydrophobicContact CG1-CB 4.39Å; V170-V451 HydrophobicContact CG1-CG1 4.14Å; V170-V451 HydrophobicContact CG1-CG2 3.63Å; V170-V451 HydrophobicContact CG2-CG1 4.35Å
171	G	46	Very low	40.5	Very low	18 Å²	18	59.1 Å²	59.1	19%	0.186	30%	0.3	C	S	.	.	S	Bend	trans	-76.4	173.6	172.6	0	0	0	0	0	114.8	D169 N173	D169-G171 PolarHBondContact O-N 3.35Å; D169-G171 VanDerWaalsContact OD1-CA 3.27Å; D169-G171 WeakPolarHBondContact OD1-CA 3.35Å; D169-G171 PolarHBondContact OD1-N 2.76Å; G171-N173 PolarHBondContact O-N 3.44Å
172	E	48.9	Very low	41.4	Very low	44 Å²	44	60.8 Å²	60.8	21%	0.206	31%	0.31	C	S	.	.	S	Bend	trans	-74.9	-0	-176.1	-66.4	-176.3	158.3	0	0	114	L174 K215 R406 K450	E172-L174 PolarHBondContact O-N 3.35Å; E172-K215 IonicContact OE1-NZ 3.89Å; E172-K215 PolarHBondContact OE1-NZ 2.85Å; E172-R406 IonicContact OE2-NH2 3.43Å; E172-R406 PolarHBondContact OE2-NH2 2.85Å; E172-K450 IonicContact OE1-NZ 3.17Å
173	N	50.2	Low	42.4	Very low	83 Å²	83	63.2 Å²	63.2	44%	0.444	32%	0.321	S	S	.	.			trans	-103.2	50	-173.8	-69.7	-17.8	0	0	0	112.3	D169 G171 M175	D169-N173 WeakPolarHBondContact OD2-CB 3.29Å; G171-N173 PolarHBondContact O-N 3.44Å; N173-M175 PolarHBondContact O-N 2.99Å
174	L	43.5	Very low	43.6	Very low	40 Å²	40	56.5 Å²	56.5	21%	0.209	29%	0.292	C	S	.	.			trans	-75.7	125.7	171.5	-119.9	99.7	0	0	0	110.6	D169 E172 V455	D169-L174 HydrophobicContact CB-CD1 4.31Å; D169-L174 WeakPolarHBondContact O-CD1 3.32Å; E172-L174 PolarHBondContact O-N 3.35Å; L174-V455 HydrophobicContact CD1-CG2 4.02Å; L174-V455 HydrophobicContact CD2-CB 4.24Å; L174-V455 HydrophobicContact CD2-CG2 3.67Å; L174-V455 HydrophobicContact CG-CG2 4.43Å
175	M	39.9	Very low	44.8	Very low	55 Å²	55	57.3 Å²	57.3	27%	0.271	30%	0.295	S	S	.	.			trans	95.3	45.1	152.9	-48.5	-173.5	84.6	0	0	120.6	N173 A200 S458	N173-M175 PolarHBondContact O-N 2.99Å; M175-A200 HydrophobicContact CE-CB 3.67Å; M175-A200 HydrophobicContact SD-CB 4.27Å; M175-S458 WeakPolarHBondContact SD-CB 3.48Å; M175-S458 PolarHBondContact SD-OG 3.2Å
176	V	37.1	Very low	45.5	Very low	44 Å²	44	62 Å²	62	27%	0.267	32%	0.317	S	S	.	.			trans	-129.2	117.3	155.9	-166.7	0	0	0	0	108.7	D178 S261	V176-D178 PolarHBondContact O-N 2.98Å; V176-S261 WeakPolarHBondContact CG2-OG 3.26Å
177	P	36.8	Very low	46.8	Very low	47 Å²	47	63.7 Å²	63.7	31%	0.305	33%	0.328	S	S	.	.			trans	-54.6	129.5	169.6	-19.7	30	0	0	0	109.3	E179	P177-E179 PolarHBondContact O-N 3.25Å
178	D	42.2	Very low	48.1	Very low	95 Å²	95	59.2 Å²	59.2	51%	0.508	31%	0.313	S	S	.	.	S	Bend	trans	-71.2	-14.4	-178.2	-80.9	-27.2	0	0	0	112.8	V176 K264	V176-D178 PolarHBondContact O-N 2.98Å; D178-K264 WeakPolarHBondContact OD1-CE 3.44Å; D178-K264 IonicContact OD1-NZ 3.56Å; D178-K264 PolarHBondContact OD1-NZ 3.01Å; D178-K264 IonicContact OD2-NZ 2.68Å
179	E	46.5	Very low	49.6	Very low	77 Å²	77	60.2 Å²	60.2	36%	0.36	32%	0.319	S	S	.	.			trans	-149.5	114.2	-179.7	-154.3	158.6	-157	0	0	110.7	P177 K272	P177-E179 PolarHBondContact O-N 3.25Å; E179-K272 IonicContact OE1-NZ 3.75Å; E179-K272 PolarHBondContact OE1-NZ 2.9Å
180	F	53.6	Low	50.9	Low	11 Å²	11	65 Å²	65	5%	0.048	34%	0.335	C	S	.	.			trans	-72	132.9	163.4	-64.3	-72.5	0	0	0	108.7	K185 H193 L194 F265	F180-K185 HydrophobicContact CB-CG 4.34Å; F180-H193 HydrophobicContact CE1-CB 4.36Å; F180-L194 HydrophobicContact CE1-CD2 4.34Å; F180-L194 HydrophobicContact CE1-CG 4.21Å; F180-L194 HydrophobicContact CE2-CD1 4.43Å; F180-L194 HydrophobicContact CE2-CD2 3.99Å; F180-L194 HydrophobicContact CE2-CG 4.21Å; F180-L194 HydrophobicContact CZ-CD1 4.25Å; F180-L194 HydrophobicContact CZ-CD2 3.37Å; F180-L194 HydrophobicContact CZ-CG 3.57Å; F180-F265 AromaticContact CD2-CD2 3.97Å; F180-F265 HydrophobicContact CD2-CD2 3.97Å; F180-F265 AromaticContact CD2-CE2 3.6Å; F180-F265 HydrophobicContact CD2-CE2 3.6Å; F180-F265 HydrophobicContact CD2-CZ 4.21Å; F180-F265 HydrophobicContact CE2-CD2 4.08Å; F180-F265 HydrophobicContact CE2-CE2 4.16Å
181	T	53.2	Low	52.5	Low	30 Å²	30	71 Å²	71	18%	0.184	36%	0.358	C	S	.	.			trans	-65.2	154.1	-179.4	57.1	0	0	0	0	110.9	L160 E183 E184 K185	L160-T181 HydrophobicContact CD2-CG2 3.53Å; L160-T181 HydrophobicContact CG-CG2 4.26Å; T181-E183 PolarHBondContact O-N 3.44Å; T181-E184 PolarHBondContact N-OE2 3.35Å; T181-E184 PolarHBondContact O-N 2.59Å; T181-E184 VanDerWaalsContact O-N 3.16Å; T181-E184 WeakPolarHBondContact OG1-CB 3.27Å; T181-E184 WeakPolarHBondContact OG1-CG 3.48Å; T181-E184 PolarHBondContact OG1-N 2.87Å; T181-E184 PolarHBondContact OG1-OE2 2.68Å; T181-K185 PolarHBondContact O-N 3.48Å; T181-K185 VanDerWaalsContact O-N 3.07Å
182	M	47.5	Very low	54.2	Low	120 Å²	120	73.9 Å²	73.9	59%	0.591	36%	0.363	S	S	*	.	H	α-helix	trans	-60.4	-30.5	178.9	-68.6	-63.1	-179.8	0	0	111.7	K185 Q186	M182-K185 PolarHBondContact O-N 3.01Å; M182-K185 HydrophobicContact SD-CD 4.4Å; M182-Q186 WeakPolarHBondContact O-CB 3.19Å; M182-Q186 VanDerWaalsContact O-CG 3.27Å; M182-Q186 WeakPolarHBondContact O-CG 3.49Å; M182-Q186 PolarHBondContact O-N 3.24Å
183	E	49.3	Very low	55.6	Low	133 Å²	133	72.8 Å²	72.8	62%	0.621	36%	0.358	S	S	*	.	H	α-helix	trans	-67.8	-42.7	174.7	-63	-179.7	178.2	0	0	112.3	T181 K185 Q186 T187	T181-E183 PolarHBondContact O-N 3.44Å; E183-K185 VanDerWaalsContact C-N 3.29Å; E183-K185 PolarHBondContact O-N 2.98Å; E183-Q186 PolarHBondContact O-N 2.93Å; E183-T187 WeakPolarHBondContact O-CB 3.27Å; E183-T187 VanDerWaalsContact O-CG2 3.23Å; E183-T187 WeakPolarHBondContact O-CG2 3.5Å; E183-T187 PolarHBondContact O-N 3.49Å; E183-T187 PolarHBondContact O-OG1 3.32Å
184	E	57.9	Low	56.8	Low	26 Å²	26	71.5 Å²	71.5	12%	0.121	35%	0.351	C	S	.	.	H	α-helix	trans	-65.6	-32.6	174.6	-73.4	166.3	141.9	0	0	112.5	H164 T181 T187 H193	H164-E184 IonicContact NE2-OE2 3.56Å; T181-E184 PolarHBondContact N-OE2 3.35Å; T181-E184 PolarHBondContact O-N 2.59Å; T181-E184 VanDerWaalsContact O-N 3.16Å; T181-E184 WeakPolarHBondContact OG1-CB 3.27Å; T181-E184 WeakPolarHBondContact OG1-CG 3.48Å; T181-E184 PolarHBondContact OG1-N 2.87Å; T181-E184 PolarHBondContact OG1-OE2 2.68Å; E184-T187 WeakPolarHBondContact CA-OG1 3.3Å; E184-T187 PolarHBondContact O-OG1 2.92Å; E184-H193 IonicContact OE1-CD2 2.83Å; E184-H193 IonicContact OE1-CE1 2.59Å; E184-H193 IonicContact OE1-ND1 3.86Å; E184-H193 IonicContact OE1-NE2 2.8Å
185	K	57.7	Low	58.6	Low	72 Å²	72	71.9 Å²	71.9	31%	0.313	36%	0.359	S	S	.	.	H	α-helix	trans	-71	-37.3	174.2	-70	-177.1	-177.9	-176.3	0	111.9	F180 T181 M182 E183 E269	F180-K185 HydrophobicContact CB-CG 4.34Å; T181-K185 PolarHBondContact O-N 3.48Å; T181-K185 VanDerWaalsContact O-N 3.07Å; M182-K185 PolarHBondContact O-N 3.01Å; M182-K185 HydrophobicContact SD-CD 4.4Å; E183-K185 VanDerWaalsContact C-N 3.29Å; E183-K185 PolarHBondContact O-N 2.98Å; K185-E269 IonicContact NZ-OE2 2.79Å
186	Q	49.2	Very low	60.7	Low	166 Å²	166	69.2 Å²	69.2	78%	0.776	35%	0.346	S	S	*	.	H	α-helix	trans	-78.3	-35.1	179.8	-74.1	179.1	6.1	0	0	113.4	M182 E183 G188	M182-Q186 WeakPolarHBondContact O-CB 3.19Å; M182-Q186 VanDerWaalsContact O-CG 3.27Å; M182-Q186 WeakPolarHBondContact O-CG 3.49Å; M182-Q186 PolarHBondContact O-N 3.24Å; E183-Q186 PolarHBondContact O-N 2.93Å; Q186-G188 VanDerWaalsContact C-N 3.26Å; Q186-G188 PolarHBondContact O-N 2.98Å
187	T	60.8	Low	62.6	Low	79 Å²	79	67.7 Å²	67.7	49%	0.485	34%	0.34	S	S	.	.	S	Bend	trans	-75.7	-9.9	179.7	53	0	0	0	0	114.1	E183 E184 M189	E183-T187 WeakPolarHBondContact O-CB 3.27Å; E183-T187 VanDerWaalsContact O-CG2 3.23Å; E183-T187 WeakPolarHBondContact O-CG2 3.5Å; E183-T187 PolarHBondContact O-N 3.49Å; E183-T187 PolarHBondContact O-OG1 3.32Å; E184-T187 WeakPolarHBondContact CA-OG1 3.3Å; E184-T187 PolarHBondContact O-OG1 2.92Å; T187-M189 HydrophobicContact CG2-CE 4.04Å; T187-M189 PolarHBondContact O-N 2.99Å; T187-M189 VanDerWaalsContact O-N 3.16Å
188	G	65.2	Low	64.8	Low	33 Å²	33	66.8 Å²	66.8	34%	0.34	34%	0.338	S	S	.	.	S	Bend	trans	69.3	6.4	-177.6	0	0	0	0	0	114.3	Q186 W191	Q186-G188 VanDerWaalsContact C-N 3.26Å; Q186-G188 PolarHBondContact O-N 2.98Å; G188-W191 PolarHBondContact O-NE1 3.44Å
189	M	70.7	Confident	66.8	Low	66 Å²	66	63.4 Å²	63.4	33%	0.325	33%	0.326	S	S	.	.			trans	-85.1	-6.1	-178.8	-66.8	-168.4	-75.1	0	0	113.8	T187 W191 R192 H193	T187-M189 HydrophobicContact CG2-CE 4.04Å; T187-M189 PolarHBondContact O-N 2.99Å; T187-M189 VanDerWaalsContact O-N 3.16Å; M189-W191 PolarHBondContact O-N 3.33Å; M189-W191 VanDerWaalsContact O-N 3.11Å; M189-R192 VanDerWaalsContact O-CB 3.31Å; M189-R192 WeakPolarHBondContact O-CB 3.3Å; M189-R192 PolarHBondContact O-N 3.36Å; M189-H193 PolarHBondContact O-CD2 3.01Å; M189-H193 PolarHBondContact O-N 3.05Å
190	W	71.4	Confident	68.5	Low	123 Å²	123	59.7 Å²	59.7	47%	0.466	31%	0.309	S	S	.	.	H	α-helix	trans	-50	-37.9	-179.9	69.1	-86.3	0	0	0	114	R192 H193 L194	W190-R192 VanDerWaalsContact C-N 3.28Å; W190-R192 PolarHBondContact O-N 3.14Å; W190-H193 PolarHBondContact O-N 2.86Å; W190-L194 HydrophobicContact CE3-CD1 3.33Å; W190-L194 HydrophobicContact CE3-CG 4.37Å; W190-L194 HydrophobicContact CZ3-CD1 3.32Å; W190-L194 PolarHBondContact O-N 3.48Å
191	W	76.1	Confident	69.9	Low	129 Å²	129	59.4 Å²	59.4	49%	0.489	31%	0.309	S	S	.	.	H	α-helix	trans	-68.2	-28.5	179.3	71.3	-94.8	0	0	0	112.4	G188 M189 A195 L469	G188-W191 PolarHBondContact O-NE1 3.44Å; M189-W191 PolarHBondContact O-N 3.33Å; M189-W191 VanDerWaalsContact O-N 3.11Å; W191-A195 VanDerWaalsContact O-CB 3.23Å; W191-A195 WeakPolarHBondContact O-CB 3.31Å; W191-A195 PolarHBondContact O-N 3.48Å; W191-L469 HydrophobicContact CZ3-CD2 4.47Å
192	R	81.1	Confident	71.5	Confident	79 Å²	79	59.1 Å²	59.1	30%	0.298	31%	0.309	S	S	.	.	H	α-helix	trans	-71.3	-41.9	176.5	-62.4	179.3	173.3	-178.6	3.9	110.7	M189 W190 A195 A196 L469 V471	M189-R192 VanDerWaalsContact O-CB 3.31Å; M189-R192 WeakPolarHBondContact O-CB 3.3Å; M189-R192 PolarHBondContact O-N 3.36Å; W190-R192 VanDerWaalsContact C-N 3.28Å; W190-R192 PolarHBondContact O-N 3.14Å; R192-A195 PolarHBondContact O-N 2.85Å; R192-A196 VanDerWaalsContact O-CB 3.31Å; R192-A196 WeakPolarHBondContact O-CB 3.28Å; R192-A196 PolarHBondContact O-N 2.87Å; R192-L469 HydrophobicContact CB-CB 4.2Å; R192-L469 HydrophobicContact CB-CD1 4.35Å; R192-L469 VanDerWaalsContact CD-O 3.3Å; R192-L469 WeakPolarHBondContact CD-O 3.37Å; R192-L469 HydrophobicContact CG-CB 4.42Å; R192-L469 PolarHBondContact NE-O 3.09Å; R192-L469 PolarHBondContact NH1-O 3.46Å; R192-L469 VanDerWaalsContact NH1-O 3.08Å; R192-L469 WeakPolarHBondContact O-CD1 3.47Å; R192-V471 HydrophobicContact CB-CG2 3.52Å; R192-V471 HydrophobicContact CG-CG2 4.25Å
193	H	77.3	Confident	73.5	Confident	21 Å²	21	56.3 Å²	56.3	10%	0.097	30%	0.299	C	S	.	.	H	α-helix	trans	-63.2	-42.5	172.9	-71.9	-86.1	0	0	0	111.9	F180 E184 M189 W190 A196 G197 Y462 V471	F180-H193 HydrophobicContact CE1-CB 4.36Å; E184-H193 IonicContact OE1-CD2 2.83Å; E184-H193 IonicContact OE1-CE1 2.59Å; E184-H193 IonicContact OE1-ND1 3.86Å; E184-H193 IonicContact OE1-NE2 2.8Å; M189-H193 PolarHBondContact O-CD2 3.01Å; M189-H193 PolarHBondContact O-N 3.05Å; W190-H193 PolarHBondContact O-N 2.86Å; H193-A196 PolarHBondContact O-N 3.5Å; H193-G197 PolarHBondContact O-N 2.86Å; H193-Y462 PolarHBondContact ND1-OH 3.45Å; H193-V471 WeakPolarHBondContact CE1-CG1 3.44Å; H193-V471 WeakPolarHBondContact NE2-CG1 3.34Å
194	L	75.9	Confident	75.3	Confident	56 Å²	56	50.1 Å²	50.1	29%	0.293	27%	0.271	S	S	.	.	H	α-helix	trans	-63.9	-41.6	173.7	-79.6	176.4	0	0	0	112.8	F180 W190 G197 G198	F180-L194 HydrophobicContact CE1-CD2 4.34Å; F180-L194 HydrophobicContact CE1-CG 4.21Å; F180-L194 HydrophobicContact CE2-CD1 4.43Å; F180-L194 HydrophobicContact CE2-CD2 3.99Å; F180-L194 HydrophobicContact CE2-CG 4.21Å; F180-L194 HydrophobicContact CZ-CD1 4.25Å; F180-L194 HydrophobicContact CZ-CD2 3.37Å; F180-L194 HydrophobicContact CZ-CG 3.57Å; W190-L194 HydrophobicContact CE3-CD1 3.33Å; W190-L194 HydrophobicContact CE3-CG 4.37Å; W190-L194 HydrophobicContact CZ3-CD1 3.32Å; W190-L194 PolarHBondContact O-N 3.48Å; L194-G197 PolarHBondContact O-N 3.42Å; L194-G198 PolarHBondContact O-N 2.8Å
195	A	82.1	Confident	76.7	Confident	47 Å²	47	50.2 Å²	50.2	39%	0.388	27%	0.27	S	S	.	.	H	α-helix	trans	-66.3	-42.9	177.3	0	0	0	0	0	111.4	W191 R192 G199 L469	W191-A195 VanDerWaalsContact O-CB 3.23Å; W191-A195 WeakPolarHBondContact O-CB 3.31Å; W191-A195 PolarHBondContact O-N 3.48Å; R192-A195 PolarHBondContact O-N 2.85Å; A195-G199 PolarHBondContact O-N 2.94Å; A195-L469 HydrophobicContact CB-CD1 4.11Å
196	A	82.6	Confident	78.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-46.5	174.2	0	0	0	0	0	111.4	R192 H193 A200 Y462 L465 K466 L469	R192-A196 VanDerWaalsContact O-CB 3.31Å; R192-A196 WeakPolarHBondContact O-CB 3.28Å; R192-A196 PolarHBondContact O-N 2.87Å; H193-A196 PolarHBondContact O-N 3.5Å; A196-A200 WeakPolarHBondContact O-CB 3.49Å; A196-A200 PolarHBondContact O-N 3.32Å; A196-Y462 HydrophobicContact CB-CD2 3.86Å; A196-Y462 HydrophobicContact CB-CE2 3.84Å; A196-L465 HydrophobicContact CB-CB 3.93Å; A196-K466 HydrophobicContact CB-CB 4.39Å; A196-L469 HydrophobicContact CB-CD1 4.11Å
197	G	78.8	Confident	80.2	Confident	12 Å²	12	44.9 Å²	44.9	12%	0.124	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-45.9	177.4	0	0	0	0	0	112.7	H193 L194 A200 G201	H193-G197 PolarHBondContact O-N 2.86Å; L194-G197 PolarHBondContact O-N 3.42Å; G197-A200 PolarHBondContact O-N 2.74Å; G197-G201 PolarHBondContact O-N 2.92Å
198	G	81.3	Confident	81.6	Confident	27 Å²	27	41.5 Å²	41.5	28%	0.278	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-43	177	0	0	0	0	0	112.7	L194 G201 A202	L194-G198 PolarHBondContact O-N 2.8Å; G198-G201 PolarHBondContact O-N 3.48Å; G198-A202 WeakPolarHBondContact O-CB 3.41Å; G198-A202 PolarHBondContact O-N 3.3Å
199	G	84.6	Confident	82.9	Confident	24 Å²	24	40.1 Å²	40.1	25%	0.247	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-46	175.4	0	0	0	0	0	112.3	A195 A202 V203	A195-G199 PolarHBondContact O-N 2.94Å; G199-A202 PolarHBondContact O-N 3.1Å; G199-V203 WeakPolarHBondContact O-CG2 3.35Å; G199-V203 PolarHBondContact O-N 3.34Å
200	A	83.4	Confident	83.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.3	-44.9	175.7	0	0	0	0	0	112.6	M175 A196 G197 A202 V203 S204 S458 V461	M175-A200 HydrophobicContact CE-CB 3.67Å; M175-A200 HydrophobicContact SD-CB 4.27Å; A196-A200 WeakPolarHBondContact O-CB 3.49Å; A196-A200 PolarHBondContact O-N 3.32Å; G197-A200 PolarHBondContact O-N 2.74Å; A200-A202 VanDerWaalsContact C-N 3.33Å; A200-A202 PolarHBondContact O-N 3.5Å; A200-V203 PolarHBondContact O-N 2.95Å; A200-S204 VanDerWaalsContact O-CB 3.25Å; A200-S204 WeakPolarHBondContact O-CB 3.49Å; A200-S204 PolarHBondContact O-N 3.15Å; A200-S458 WeakPolarHBondContact CB-O 3.38Å; A200-V461 HydrophobicContact CB-CB 4.09Å; A200-V461 HydrophobicContact CB-CG1 4Å
201	G	82.1	Confident	84.9	Confident	5 Å²	5	33.5 Å²	33.5	5%	0.052	20%	0.197	C	C	.	.	H	α-helix	trans	-60.7	-40	174.4	0	0	0	0	0	112.6	G197 G198 R205	G197-G201 PolarHBondContact O-N 2.92Å; G198-G201 PolarHBondContact O-N 3.48Å; G201-R205 VanDerWaalsContact O-CB 3.3Å; G201-R205 WeakPolarHBondContact O-CB 3.31Å; G201-R205 VanDerWaalsContact O-CG 3.3Å; G201-R205 WeakPolarHBondContact O-CG 3.3Å; G201-R205 PolarHBondContact O-N 2.79Å
202	A	86.9	Confident	85.5	Confident	23 Å²	23	28.1 Å²	28.1	19%	0.19	18%	0.178	C	C	.	.	H	α-helix	trans	-66.6	-44.7	178.4	0	0	0	0	0	112.6	G198 G199 A200 T206 V254 I257	G198-A202 WeakPolarHBondContact O-CB 3.41Å; G198-A202 PolarHBondContact O-N 3.3Å; G199-A202 PolarHBondContact O-N 3.1Å; A200-A202 VanDerWaalsContact C-N 3.33Å; A200-A202 PolarHBondContact O-N 3.5Å; A202-T206 VanDerWaalsContact O-CB 3.32Å; A202-T206 WeakPolarHBondContact O-CB 3.25Å; A202-T206 PolarHBondContact O-N 3.18Å; A202-T206 PolarHBondContact O-OG1 3.32Å; A202-V254 HydrophobicContact CB-CG1 3.78Å; A202-I257 HydrophobicContact CB-CD1 4.17Å
203	V	89.1	Confident	86	Confident	61 Å²	61	24.6 Å²	24.6	37%	0.37	17%	0.165	S	C	.	.	H	α-helix	trans	-65.5	-49.2	177.9	175.6	0	0	0	0	110.2	G199 A200 R205 T206 C207 I457 V461	G199-V203 WeakPolarHBondContact O-CG2 3.35Å; G199-V203 PolarHBondContact O-N 3.34Å; A200-V203 PolarHBondContact O-N 2.95Å; V203-R205 PolarHBondContact O-N 3.31Å; V203-T206 PolarHBondContact O-N 2.85Å; V203-T206 VanDerWaalsContact O-N 3.1Å; V203-C207 PolarHBondContact O-N 2.83Å; V203-C207 PolarHBondContact O-SG 2.93Å; V203-C207 VanDerWaalsContact O-SG 3.38Å; V203-I457 HydrophobicContact CG1-CG2 4.03Å; V203-V461 HydrophobicContact CB-CG1 4.21Å; V203-V461 HydrophobicContact CB-CG2 4.21Å; V203-V461 HydrophobicContact CG1-CG2 3.83Å; V203-V461 HydrophobicContact CG2-CG1 4.14Å
204	S	86.6	Confident	86.7	Confident	4 Å²	4	23.6 Å²	23.6	3%	0.028	16%	0.16	C	C	.	.	H	α-helix	trans	-58.2	-48.3	179.1	174.4	0	0	0	0	113	A200 T206 C207 T208 A454 S458	A200-S204 VanDerWaalsContact O-CB 3.25Å; A200-S204 WeakPolarHBondContact O-CB 3.49Å; A200-S204 PolarHBondContact O-N 3.15Å; S204-T206 VanDerWaalsContact C-N 3.26Å; S204-T206 PolarHBondContact O-N 3.18Å; S204-C207 PolarHBondContact O-N 2.93Å; S204-T208 PolarHBondContact O-N 3.19Å; S204-T208 PolarHBondContact O-OG1 2.79Å; S204-A454 VanDerWaalsContact OG-CA 3.24Å; S204-A454 WeakPolarHBondContact OG-CA 3.35Å; S204-A454 PolarHBondContact OG-O 3.5Å; S204-S458 WeakPolarHBondContact CB-OG 3.25Å; S204-S458 PolarHBondContact OG-OG 3.24Å
205	R	87.5	Confident	87.4	Confident	28 Å²	28	21.6 Å²	21.6	11%	0.106	15%	0.149	C	C	.	.	H	α-helix	trans	-63.3	-32.7	176.1	-74.5	-176.2	-176.9	175.3	4.8	112.3	G201 V203 A209 N250 N253	G201-R205 VanDerWaalsContact O-CB 3.3Å; G201-R205 WeakPolarHBondContact O-CB 3.31Å; G201-R205 VanDerWaalsContact O-CG 3.3Å; G201-R205 WeakPolarHBondContact O-CG 3.3Å; G201-R205 PolarHBondContact O-N 2.79Å; V203-R205 PolarHBondContact O-N 3.31Å; R205-A209 WeakPolarHBondContact O-CA 3.46Å; R205-A209 WeakPolarHBondContact O-CB 3.36Å; R205-A209 PolarHBondContact O-N 3.2Å; R205-N250 PolarHBondContact O-OD1 3.03Å; R205-N253 PolarHBondContact NH1-O 3.3Å
206	T	91.3	Very high	87.8	Confident	52 Å²	52	19.9 Å²	19.9	32%	0.319	13%	0.134	S	C	.	.	H	α-helix	trans	-73.2	-39.7	177.6	-60	0	0	0	0	112.1	A202 V203 S204 T208 A209 W247 N250	A202-T206 VanDerWaalsContact O-CB 3.32Å; A202-T206 WeakPolarHBondContact O-CB 3.25Å; A202-T206 PolarHBondContact O-N 3.18Å; A202-T206 PolarHBondContact O-OG1 3.32Å; V203-T206 PolarHBondContact O-N 2.85Å; V203-T206 VanDerWaalsContact O-N 3.1Å; S204-T206 VanDerWaalsContact C-N 3.26Å; S204-T206 PolarHBondContact O-N 3.18Å; T206-T208 VanDerWaalsContact C-N 3.33Å; T206-A209 WeakPolarHBondContact O-CB 3.33Å; T206-W247 PolarHBondContact O-NE1 2.87Å; T206-N250 PolarHBondContact OG1-ND2 3.4Å; T206-N250 VanDerWaalsContact OG1-ND2 3.07Å
207	C	90.4	Very high	88.1	Confident	73 Å²	73	20.4 Å²	20.4	49%	0.493	14%	0.136	S	C	.	.	H	α-helix	trans	-66.1	-36.2	174.5	-68.2	0	0	0	0	112.1	V203 S204 I457	V203-C207 PolarHBondContact O-N 2.83Å; V203-C207 PolarHBondContact O-SG 2.93Å; V203-C207 VanDerWaalsContact O-SG 3.38Å; S204-C207 PolarHBondContact O-N 2.93Å; C207-I457 HydrophobicContact CB-CD1 3.59Å
208	T	90	Very high	88.6	Confident	8 Å²	8	21 Å²	21	5%	0.049	14%	0.136	C	C	.	.	H	α-helix	trans	-93.2	-3.2	-178.6	57.7	0	0	0	0	114.4	S204 T206 P210 L211 D212 K450 P453 A454	S204-T208 PolarHBondContact O-N 3.19Å; S204-T208 PolarHBondContact O-OG1 2.79Å; T206-T208 VanDerWaalsContact C-N 3.33Å; T208-P210 VanDerWaalsContact C-CD 3.41Å; T208-P210 VanDerWaalsContact C-N 3.34Å; T208-L211 PolarHBondContact O-N 3.33Å; T208-D212 PolarHBondContact O-N 3.29Å; T208-K450 HydrophobicContact CG2-CB 4.49Å; T208-P453 HydrophobicContact CG2-CB 4.19Å; T208-A454 HydrophobicContact CG2-CB 3.93Å
209	A	90.9	Very high	89	Confident	4 Å²	4	19.8 Å²	19.8	3%	0.033	12%	0.123	C	C	.	.	H	α-helix	trans	-51.1	-40	179.5	0	0	0	0	0	115.1	R205 T206 L211 D212 R213 W247 N250	R205-A209 WeakPolarHBondContact O-CA 3.46Å; R205-A209 WeakPolarHBondContact O-CB 3.36Å; R205-A209 PolarHBondContact O-N 3.2Å; T206-A209 WeakPolarHBondContact O-CB 3.33Å; A209-L211 VanDerWaalsContact C-N 3.32Å; A209-L211 PolarHBondContact O-N 2.98Å; A209-D212 WeakPolarHBondContact O-CB 3.23Å; A209-D212 PolarHBondContact O-N 3.14Å; A209-R213 PolarHBondContact O-N 3.14Å; A209-W247 VanDerWaalsContact CB-CD1 3.49Å; A209-W247 HydrophobicContact CB-CG 4.29Å; A209-N250 HydrophobicContact CB-CB 3.94Å
210	P	92.9	Very high	89.1	Confident	20 Å²	20	19.4 Å²	19.4	13%	0.13	12%	0.116	C	C	.	.	H	α-helix	trans	-60.4	-39.9	176.6	-25.4	36.1	0	0	0	113.2	T208 L214 L246 W247	T208-P210 VanDerWaalsContact C-CD 3.41Å; T208-P210 VanDerWaalsContact C-N 3.34Å; P210-L214 VanDerWaalsContact O-CB 3.29Å; P210-L214 WeakPolarHBondContact O-CB 3.35Å; P210-L214 PolarHBondContact O-N 3.26Å; P210-L246 HydrophobicContact CB-CB 4.09Å; P210-L246 HydrophobicContact CB-CD1 4.48Å; P210-L246 HydrophobicContact CG-CB 4.12Å; P210-W247 HydrophobicContact CG-CH2 4.32Å; P210-W247 HydrophobicContact CG-CZ2 3.91Å
211	L	91.6	Very high	89.2	Confident	31 Å²	31	23 Å²	23	16%	0.162	13%	0.13	C	C	.	.	H	α-helix	trans	-73.6	-37.4	178.1	-65.4	176.7	0	0	0	111.5	T208 A209 L214 K215 L449 K450	T208-L211 PolarHBondContact O-N 3.33Å; A209-L211 VanDerWaalsContact C-N 3.32Å; A209-L211 PolarHBondContact O-N 2.98Å; L211-L214 HydrophobicContact CD2-CD2 4.48Å; L211-L214 PolarHBondContact O-N 2.68Å; L211-K215 WeakPolarHBondContact O-CB 3.32Å; L211-K215 PolarHBondContact O-N 2.99Å; L211-L449 HydrophobicContact CD1-CB 4.45Å; L211-L449 HydrophobicContact CD1-CD2 4.32Å; L211-L449 HydrophobicContact CD1-CG 4.07Å; L211-L449 HydrophobicContact CD2-CD2 3.89Å; L211-L449 HydrophobicContact CD2-CG 4.5Å; L211-K450 HydrophobicContact CB-CB 3.87Å; L211-K450 HydrophobicContact CD1-CB 3.81Å
212	D	88.8	Confident	88.8	Confident	16 Å²	16	22.9 Å²	22.9	9%	0.086	13%	0.13	C	C	.	.	H	α-helix	trans	-58.8	-47.7	172.6	-102.5	12.1	0	0	0	111.5	T208 A209 K215 V216 N253 K309 K450	T208-D212 PolarHBondContact O-N 3.29Å; A209-D212 WeakPolarHBondContact O-CB 3.23Å; A209-D212 PolarHBondContact O-N 3.14Å; D212-K215 WeakPolarHBondContact O-CB 3.33Å; D212-K215 PolarHBondContact O-N 3.39Å; D212-V216 WeakPolarHBondContact O-CG2 3.47Å; D212-V216 PolarHBondContact O-N 2.87Å; D212-N253 PolarHBondContact OD2-ND2 2.87Å; D212-K309 IonicContact OD2-NZ 3.37Å; D212-K450 WeakPolarHBondContact OD1-CD 3.4Å; D212-K450 WeakPolarHBondContact OD1-CE 3.23Å; D212-K450 IonicContact OD1-NZ 3.65Å; D212-K450 PolarHBondContact OD1-NZ 3.21Å
213	R	91.4	Very high	88.1	Confident	5 Å²	5	23.6 Å²	23.6	2%	0.019	13%	0.133	C	C	.	.	H	α-helix	trans	-67.4	-41.3	177.9	-172.1	178.2	171.4	-127.6	-6	111.3	A209 K215 V216 M217 M237 S245 A313	A209-R213 PolarHBondContact O-N 3.14Å; R213-K215 PolarHBondContact O-N 3.4Å; R213-V216 PolarHBondContact O-N 3.46Å; R213-M217 HydrophobicContact CG-CG 4.4Å; R213-M217 VanDerWaalsContact O-CG 3.27Å; R213-M217 WeakPolarHBondContact O-CG 3.33Å; R213-M217 PolarHBondContact O-N 3.34Å; R213-M237 HydrophobicContact CB-CE 3.73Å; R213-M237 HydrophobicContact CG-CE 3.57Å; R213-S245 WeakPolarHBondContact CD-O 3.15Å; R213-S245 VanDerWaalsContact CZ-O 3.29Å; R213-S245 PolarHBondContact NH1-O 3.41Å; R213-S245 PolarHBondContact NH1-OG 3.07Å; R213-A313 HydrophobicContact CG-CB 4.25Å; R213-A313 PolarHBondContact NE-O 3.07Å
214	L	91.6	Very high	86.7	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.6	-44.3	176.1	178.1	66.7	0	0	0	111.9	P210 L211 V216 M217 M218 I230 L234 M237 P446	P210-L214 VanDerWaalsContact O-CB 3.29Å; P210-L214 WeakPolarHBondContact O-CB 3.35Å; P210-L214 PolarHBondContact O-N 3.26Å; L211-L214 HydrophobicContact CD2-CD2 4.48Å; L211-L214 PolarHBondContact O-N 2.68Å; L214-V216 VanDerWaalsContact C-N 3.34Å; L214-V216 PolarHBondContact O-N 2.95Å; L214-M217 PolarHBondContact O-N 2.99Å; L214-M218 HydrophobicContact CD1-CG 4.09Å; L214-M218 HydrophobicContact CD1-SD 4.06Å; L214-M218 HydrophobicContact CD2-SD 4.44Å; L214-M218 HydrophobicContact CG-CG 4.36Å; L214-M218 HydrophobicContact CG-SD 3.96Å; L214-M218 WeakPolarHBondContact O-CB 3.45Å; L214-M218 WeakPolarHBondContact O-CG 3.34Å; L214-M218 PolarHBondContact O-N 3.49Å; L214-I230 HydrophobicContact CD2-CB 4.16Å; L214-I230 HydrophobicContact CD2-CG1 4.32Å; L214-I230 HydrophobicContact CD2-CG2 3.65Å; L214-L234 HydrophobicContact CD2-CD1 4.45Å; L214-L234 HydrophobicContact CD2-CD2 4.36Å; L214-L234 HydrophobicContact CD2-CG 4.04Å; L214-M237 HydrophobicContact CB-SD 4.21Å; L214-M237 HydrophobicContact CD1-SD 4.08Å; L214-P446 HydrophobicContact CD2-CB 4.12Å; L214-P446 HydrophobicContact CG-CB 4.37Å
215	K	91.5	Very high	85.4	Confident	13 Å²	13	35.9 Å²	35.9	6%	0.057	19%	0.188	C	C	.	.	H	α-helix	trans	-52	-53.6	173.3	170.1	-169.4	173.2	-178.4	0	110.4	E172 L211 D212 R213 M217 M218 Q219 P446 N447	E172-K215 IonicContact OE1-NZ 3.89Å; E172-K215 PolarHBondContact OE1-NZ 2.85Å; L211-K215 WeakPolarHBondContact O-CB 3.32Å; L211-K215 PolarHBondContact O-N 2.99Å; D212-K215 WeakPolarHBondContact O-CB 3.33Å; D212-K215 PolarHBondContact O-N 3.39Å; R213-K215 PolarHBondContact O-N 3.4Å; K215-M217 PolarHBondContact O-N 2.93Å; K215-M218 PolarHBondContact O-N 3.47Å; K215-Q219 HydrophobicContact CG-CG 4.45Å; K215-Q219 WeakPolarHBondContact O-CB 3.21Å; K215-Q219 VanDerWaalsContact O-CG 3.24Å; K215-Q219 WeakPolarHBondContact O-CG 3.48Å; K215-Q219 PolarHBondContact O-N 3.33Å; K215-P446 HydrophobicContact CB-CB 4.32Å; K215-P446 HydrophobicContact CB-CG 4.06Å; K215-N447 HydrophobicContact CD-CB 4.04Å; K215-N447 WeakPolarHBondContact CE-OD1 3.31Å; K215-N447 PolarHBondContact NZ-OD1 3.48Å
216	V	90.9	Very high	84.4	Confident	12 Å²	12	37.8 Å²	37.8	7%	0.073	20%	0.2	C	C	.	.	H	α-helix	trans	-62.5	-41.3	-178.5	175.7	0	0	0	0	111.5	D212 R213 L214 Q219 V220 T310 A313 L314 T407	D212-V216 WeakPolarHBondContact O-CG2 3.47Å; D212-V216 PolarHBondContact O-N 2.87Å; R213-V216 PolarHBondContact O-N 3.46Å; L214-V216 VanDerWaalsContact C-N 3.34Å; L214-V216 PolarHBondContact O-N 2.95Å; V216-Q219 PolarHBondContact O-N 3.34Å; V216-V220 WeakPolarHBondContact O-CG2 3.44Å; V216-V220 PolarHBondContact O-N 2.91Å; V216-V220 VanDerWaalsContact O-N 3.14Å; V216-T310 HydrophobicContact CG1-CG2 4.08Å; V216-A313 HydrophobicContact CG1-CB 4.31Å; V216-L314 HydrophobicContact CG1-CD1 4.01Å; V216-L314 HydrophobicContact CG1-CD2 3.81Å; V216-L314 HydrophobicContact CG1-CG 3.74Å; V216-T407 HydrophobicContact CG1-CG2 4.05Å
217	M	89.5	Confident	83.2	Confident	10 Å²	10	41.5 Å²	41.5	5%	0.049	22%	0.218	C	C	.	.	H	α-helix	trans	-62.3	-46	176.2	-67.5	-127.3	62.7	0	0	112.2	R213 L214 K215 Q219 V220 Y221 M237 L314	R213-M217 HydrophobicContact CG-CG 4.4Å; R213-M217 VanDerWaalsContact O-CG 3.27Å; R213-M217 WeakPolarHBondContact O-CG 3.33Å; R213-M217 PolarHBondContact O-N 3.34Å; L214-M217 PolarHBondContact O-N 2.99Å; K215-M217 PolarHBondContact O-N 2.93Å; M217-Q219 VanDerWaalsContact C-N 3.33Å; M217-Q219 PolarHBondContact O-N 3.5Å; M217-V220 PolarHBondContact O-N 3.07Å; M217-Y221 HydrophobicContact CE-CD2 3.18Å; M217-Y221 HydrophobicContact CE-CE2 3.2Å; M217-Y221 HydrophobicContact CE-CG 4.33Å; M217-Y221 WeakPolarHBondContact O-CB 3.08Å; M217-Y221 PolarHBondContact O-N 3.39Å; M217-M237 HydrophobicContact SD-CG 3.79Å; M217-M237 HydrophobicContact SD-SD 4.46Å; M217-L314 HydrophobicContact CE-CD2 4.44Å
218	M	89.1	Confident	82.3	Confident	25 Å²	25	38.5 Å²	38.5	12%	0.123	20%	0.197	C	C	.	.	H	α-helix	trans	-66.9	-33.9	178.1	-70.2	-178.8	65.1	0	0	112.5	L214 K215 V220 G222 M228 I230 P446	L214-M218 HydrophobicContact CD1-CG 4.09Å; L214-M218 HydrophobicContact CD1-SD 4.06Å; L214-M218 HydrophobicContact CD2-SD 4.44Å; L214-M218 HydrophobicContact CG-CG 4.36Å; L214-M218 HydrophobicContact CG-SD 3.96Å; L214-M218 WeakPolarHBondContact O-CB 3.45Å; L214-M218 WeakPolarHBondContact O-CG 3.34Å; L214-M218 PolarHBondContact O-N 3.49Å; K215-M218 PolarHBondContact O-N 3.47Å; M218-V220 VanDerWaalsContact C-N 3.34Å; M218-G222 WeakPolarHBondContact O-CA 3.41Å; M218-G222 PolarHBondContact O-N 2.89Å; M218-M228 WeakPolarHBondContact CE-O 3.3Å; M218-M228 HydrophobicContact CG-CB 4.4Å; M218-I230 HydrophobicContact SD-CG1 4.49Å; M218-P446 HydrophobicContact SD-CG 3.91Å
219	Q	89.4	Confident	81.9	Confident	1 Å²	1	42 Å²	42	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-66	-35.4	176.2	-79.1	-173.5	-18.3	0	0	112.4	K215 V216 M217 Y400 L404 T407 R408 R442	K215-Q219 HydrophobicContact CG-CG 4.45Å; K215-Q219 WeakPolarHBondContact O-CB 3.21Å; K215-Q219 VanDerWaalsContact O-CG 3.24Å; K215-Q219 WeakPolarHBondContact O-CG 3.48Å; K215-Q219 PolarHBondContact O-N 3.33Å; V216-Q219 PolarHBondContact O-N 3.34Å; M217-Q219 VanDerWaalsContact C-N 3.33Å; M217-Q219 PolarHBondContact O-N 3.5Å; Q219-Y400 PolarHBondContact NE2-OH 3.31Å; Q219-L404 HydrophobicContact CB-CD1 3.53Å; Q219-L404 HydrophobicContact CG-CD1 3.48Å; Q219-L404 VanDerWaalsContact CG-CD1 3.48Å; Q219-T407 HydrophobicContact CB-CG2 4.19Å; Q219-T407 VanDerWaalsContact OE1-CB 3.23Å; Q219-T407 VanDerWaalsContact OE1-CG2 3.27Å; Q219-T407 PolarHBondContact OE1-OG1 3.47Å; Q219-R408 PolarHBondContact O-NE 3.39Å; Q219-R408 PolarHBondContact O-NH2 3.36Å; Q219-R442 VanDerWaalsContact CG-O 3.27Å; Q219-R442 WeakPolarHBondContact CG-O 3.44Å
220	V	87.2	Confident	81.6	Confident	17 Å²	17	44.5 Å²	44.5	10%	0.103	23%	0.233	C	C	.	.	H	α-helix	trans	-95.7	-48.4	-174.2	176	0	0	0	0	112.8	V216 M217 M218 L314 T407 A411	V216-V220 WeakPolarHBondContact O-CG2 3.44Å; V216-V220 PolarHBondContact O-N 2.91Å; V216-V220 VanDerWaalsContact O-N 3.14Å; M217-V220 PolarHBondContact O-N 3.07Å; M218-V220 VanDerWaalsContact C-N 3.34Å; V220-L314 HydrophobicContact CB-CD1 4.43Å; V220-L314 HydrophobicContact CB-CD2 3.96Å; V220-L314 HydrophobicContact CG1-CD1 4.37Å; V220-L314 HydrophobicContact CG1-CD2 4.26Å; V220-L314 HydrophobicContact CG2-CD1 3.84Å; V220-L314 HydrophobicContact CG2-CD2 4.05Å; V220-T407 HydrophobicContact CG2-CG2 4.04Å; V220-A411 HydrophobicContact CB-CB 4.32Å; V220-A411 HydrophobicContact CG1-CB 3.76Å; V220-A411 HydrophobicContact CG2-CB 3.52Å
221	Y	83.9	Confident	81.3	Confident	74 Å²	74	50.8 Å²	50.8	29%	0.29	26%	0.262	S	S	.	.	H	α-helix	trans	-95.6	-9.8	-175.1	-64	-72.2	0	0	0	114	M217 S223 L314	M217-Y221 HydrophobicContact CE-CD2 3.18Å; M217-Y221 HydrophobicContact CE-CE2 3.2Å; M217-Y221 HydrophobicContact CE-CG 4.33Å; M217-Y221 WeakPolarHBondContact O-CB 3.08Å; M217-Y221 PolarHBondContact O-N 3.39Å; Y221-S223 PolarHBondContact O-N 3.38Å; Y221-L314 HydrophobicContact CD2-CD2 4.13Å; Y221-L314 HydrophobicContact CE2-CD2 3.62Å
222	G	75.3	Confident	81	Confident	4 Å²	4	52 Å²	52	4%	0.041	27%	0.274	C	S	.	.			trans	-66.4	121.7	174.2	0	0	0	0	0	111	M218 R408 R442	M218-G222 WeakPolarHBondContact O-CA 3.41Å; M218-G222 PolarHBondContact O-N 2.89Å; G222-R408 PolarHBondContact O-NH2 3.03Å; G222-R442 PolarHBondContact O-NH1 3.26Å; G222-R442 VanDerWaalsContact O-NH1 3.1Å
223	S	71.3	Confident	80.9	Confident	38 Å²	38	51.2 Å²	51.2	27%	0.266	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-135.4	166.2	179.2	-178.9	0	0	0	0	110.4	Y221 T225 N226 R442	Y221-S223 PolarHBondContact O-N 3.38Å; S223-T225 PolarHBondContact O-N 3.16Å; S223-N226 PolarHBondContact N-O 3.44Å; S223-N226 CarbonylContact O-C 3.49Å; S223-N226 PolarHBondContact O-N 3.08Å; S223-N226 VanDerWaalsContact O-O 3.04Å; S223-R442 VanDerWaalsContact C-CZ 3.5Å; S223-R442 VanDerWaalsContact CA-NH1 3.26Å; S223-R442 PolarHBondContact O-NH2 3.23Å
224	R	59.9	Low	80.8	Confident	185 Å²	185	52.8 Å²	52.8	70%	0.698	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.5	176.7	-107.5	-169.7	-177.5	-142.7	1.6	113.2	E435	R224-E435 PolarHBondContact NE-O 3.49Å
225	T	59.5	Low	80.6	Confident	137 Å²	137	58.7 Å²	58.7	84%	0.84	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-18	176.3	47.9	0	0	0	0	113.5	S223	S223-T225 PolarHBondContact O-N 3.16Å
226	N	67	Low	80.4	Confident	69 Å²	69	62.4 Å²	62.4	37%	0.369	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-127.4	81.4	-178.4	-172	19.6	0	0	0	110	S223 M228	S223-N226 PolarHBondContact N-O 3.44Å; S223-N226 CarbonylContact O-C 3.49Å; S223-N226 PolarHBondContact O-N 3.08Å; S223-N226 VanDerWaalsContact O-O 3.04Å; N226-M228 VanDerWaalsContact C-N 3.28Å; N226-M228 PolarHBondContact O-N 3.48Å
227	N	66.1	Low	80.3	Confident	130 Å²	130	61.9 Å²	61.9	70%	0.695	32%	0.321	S	S	*	.			trans	-79.7	81.1	177.1	-140.5	12.8	0	0	0	109	C229	N227-C229 PolarHBondContact O-N 3.5Å
228	M	70.8	Confident	80.4	Confident	10 Å²	10	64.5 Å²	64.5	5%	0.049	34%	0.335	C	S	.	.			trans	-66.2	106.1	178.7	-65.6	-178	67.5	0	0	109.7	M218 N226 Q236	M218-M228 WeakPolarHBondContact CE-O 3.3Å; M218-M228 HydrophobicContact CG-CB 4.4Å; N226-M228 VanDerWaalsContact C-N 3.28Å; N226-M228 PolarHBondContact O-N 3.48Å; M228-Q236 VanDerWaalsContact CE-OE1 3.25Å
229	C	81.1	Confident	80.4	Confident	82 Å²	82	72.2 Å²	72.2	55%	0.554	37%	0.368	S	S	*	.			trans	-68.6	158.5	165.1	-66.5	0	0	0	0	110.2	N227 M231 S232 G233	N227-C229 PolarHBondContact O-N 3.5Å; C229-M231 VanDerWaalsContact C-N 3.28Å; C229-M231 PolarHBondContact O-N 2.95Å; C229-S232 PolarHBondContact N-OG 2.89Å; C229-S232 PolarHBondContact O-N 3.02Å; C229-S232 PolarHBondContact O-OG 3.37Å; C229-G233 PolarHBondContact O-N 3.16Å
230	I	85.9	Confident	80.2	Confident	56 Å²	56	75.6 Å²	75.6	29%	0.287	38%	0.383	S	S	.	.	H	α-helix	trans	-53.2	-47.2	179.3	-69.1	174.7	0	0	0	111	L214 M218 G233 L234 A445 L449	L214-I230 HydrophobicContact CD2-CB 4.16Å; L214-I230 HydrophobicContact CD2-CG1 4.32Å; L214-I230 HydrophobicContact CD2-CG2 3.65Å; M218-I230 HydrophobicContact SD-CG1 4.49Å; I230-G233 PolarHBondContact O-N 3.36Å; I230-L234 HydrophobicContact CG2-CD1 4.21Å; I230-L234 WeakPolarHBondContact O-CG 3.41Å; I230-L234 PolarHBondContact O-N 2.84Å; I230-A445 HydrophobicContact CD1-CB 4.13Å; I230-L449 HydrophobicContact CD1-CD2 4.48Å
231	M	86.2	Confident	79.9	Confident	151 Å²	151	76 Å²	76	74%	0.744	39%	0.391	S	S	*	.	H	α-helix	trans	-69.3	-40.2	-178	-168.6	59	119.1	0	0	112.7	C229 L234 M235	C229-M231 VanDerWaalsContact C-N 3.28Å; C229-M231 PolarHBondContact O-N 2.95Å; M231-L234 PolarHBondContact O-N 3.45Å; M231-M235 WeakPolarHBondContact O-CB 3.27Å; M231-M235 PolarHBondContact O-N 3.37Å
232	S	85.6	Confident	80.1	Confident	57 Å²	57	74 Å²	74	40%	0.399	39%	0.393	S	S	.	.	H	α-helix	trans	-69.1	-36	177.7	60.1	0	0	0	0	111.7	C229 M235 Q236	C229-S232 PolarHBondContact N-OG 2.89Å; C229-S232 PolarHBondContact O-N 3.02Å; C229-S232 PolarHBondContact O-OG 3.37Å; S232-M235 PolarHBondContact O-N 3.46Å; S232-Q236 VanDerWaalsContact O-CB 3.3Å; S232-Q236 WeakPolarHBondContact O-CB 3.48Å; S232-Q236 PolarHBondContact O-N 2.83Å
233	G	85.7	Confident	80.7	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-62.9	-47.3	172.8	0	0	0	0	0	112.7	C229 I230 M235 Q236 M237	C229-G233 PolarHBondContact O-N 3.16Å; I230-G233 PolarHBondContact O-N 3.36Å; G233-M235 PolarHBondContact O-N 2.84Å; G233-Q236 PolarHBondContact O-N 2.88Å; G233-M237 WeakPolarHBondContact O-CG 3.36Å; G233-M237 PolarHBondContact O-N 3Å
234	L	89.6	Confident	81.6	Confident	37 Å²	37	87.1 Å²	87.1	19%	0.194	45%	0.446	C	S	.	.	H	α-helix	trans	-60.6	-45.2	174.9	-74.1	169.2	0	0	0	111.7	L214 I230 M231 Q236 M237 I238 L246	L214-L234 HydrophobicContact CD2-CD1 4.45Å; L214-L234 HydrophobicContact CD2-CD2 4.36Å; L214-L234 HydrophobicContact CD2-CG 4.04Å; I230-L234 HydrophobicContact CG2-CD1 4.21Å; I230-L234 WeakPolarHBondContact O-CG 3.41Å; I230-L234 PolarHBondContact O-N 2.84Å; M231-L234 PolarHBondContact O-N 3.45Å; L234-Q236 VanDerWaalsContact C-N 3.32Å; L234-Q236 PolarHBondContact O-N 3.42Å; L234-M237 HydrophobicContact CD2-SD 4.4Å; L234-M237 WeakPolarHBondContact O-CB 3.29Å; L234-M237 PolarHBondContact O-N 3.43Å; L234-I238 WeakPolarHBondContact O-CG1 3.49Å; L234-I238 PolarHBondContact O-N 3.24Å; L234-L246 HydrophobicContact CD2-CD2 3.96Å
235	M	88.3	Confident	82.9	Confident	125 Å²	125	78.4 Å²	78.4	62%	0.616	41%	0.414	S	S	*	.	H	α-helix	trans	-62.5	-40.2	178.2	-169.5	63.6	171.8	0	0	111.7	M231 S232 G233 I238 K239	M231-M235 WeakPolarHBondContact O-CB 3.27Å; M231-M235 PolarHBondContact O-N 3.37Å; S232-M235 PolarHBondContact O-N 3.46Å; G233-M235 PolarHBondContact O-N 2.84Å; M235-I238 PolarHBondContact O-N 2.95Å; M235-K239 VanDerWaalsContact O-CB 3.31Å; M235-K239 WeakPolarHBondContact O-CB 3.3Å; M235-K239 PolarHBondContact O-N 3.1Å
236	Q	86.8	Confident	84.4	Confident	90 Å²	90	72.8 Å²	72.8	42%	0.421	38%	0.379	S	S	.	.	H	α-helix	trans	-63.3	-43.5	175.4	-177.9	175.1	-4.5	0	0	111.7	M228 S232 G233 L234 I238 K239 E240	M228-Q236 VanDerWaalsContact CE-OE1 3.25Å; S232-Q236 VanDerWaalsContact O-CB 3.3Å; S232-Q236 WeakPolarHBondContact O-CB 3.48Å; S232-Q236 PolarHBondContact O-N 2.83Å; G233-Q236 PolarHBondContact O-N 2.88Å; L234-Q236 VanDerWaalsContact C-N 3.32Å; L234-Q236 PolarHBondContact O-N 3.42Å; Q236-I238 VanDerWaalsContact C-N 3.32Å; Q236-I238 PolarHBondContact O-N 3.45Å; Q236-K239 PolarHBondContact O-N 3.34Å; Q236-E240 WeakPolarHBondContact O-CB 3.41Å; Q236-E240 PolarHBondContact O-N 3.45Å
237	M	89.2	Confident	85.6	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-60.6	-42.8	176.2	-67.7	160.2	68.7	0	0	111.5	R213 L214 M217 G233 L234 G241 S245 L246	R213-M237 HydrophobicContact CB-CE 3.73Å; R213-M237 HydrophobicContact CG-CE 3.57Å; L214-M237 HydrophobicContact CB-SD 4.21Å; L214-M237 HydrophobicContact CD1-SD 4.08Å; M217-M237 HydrophobicContact SD-CG 3.79Å; M217-M237 HydrophobicContact SD-SD 4.46Å; G233-M237 WeakPolarHBondContact O-CG 3.36Å; G233-M237 PolarHBondContact O-N 3Å; L234-M237 HydrophobicContact CD2-SD 4.4Å; L234-M237 WeakPolarHBondContact O-CB 3.29Å; L234-M237 PolarHBondContact O-N 3.43Å; M237-G241 PolarHBondContact O-N 2.91Å; M237-S245 PolarHBondContact O-OG 3.16Å; M237-L246 HydrophobicContact CB-CD2 3.96Å; M237-L246 HydrophobicContact CE-CD2 3.69Å; M237-L246 HydrophobicContact SD-CD2 4.39Å
238	I	90.8	Very high	86.7	Confident	65 Å²	65	69.6 Å²	69.6	33%	0.333	35%	0.352	S	S	.	.	H	α-helix	trans	-67.8	-42.1	177.6	-65.7	167.4	0	0	0	110.6	L234 M235 Q236 E240 G242 L246	L234-I238 WeakPolarHBondContact O-CG1 3.49Å; L234-I238 PolarHBondContact O-N 3.24Å; M235-I238 PolarHBondContact O-N 2.95Å; Q236-I238 VanDerWaalsContact C-N 3.32Å; Q236-I238 PolarHBondContact O-N 3.45Å; I238-E240 VanDerWaalsContact C-N 3.33Å; I238-E240 PolarHBondContact O-N 3.38Å; I238-G242 WeakPolarHBondContact O-CA 3.22Å; I238-G242 PolarHBondContact O-N 3.3Å; I238-L246 HydrophobicContact CD1-CD1 4.47Å; I238-L246 HydrophobicContact CG1-CD1 4.34Å; I238-L246 HydrophobicContact CG1-CD2 4.06Å; I238-L246 HydrophobicContact CG1-CG 4.31Å
239	K	88.3	Confident	87.5	Confident	188 Å²	188	69.6 Å²	69.6	82%	0.817	36%	0.355	S	S	*	.	H	α-helix	trans	-64.5	-35.4	179	-171.8	176.6	179.3	-179.8	0	112.7	M235 Q236	M235-K239 VanDerWaalsContact O-CB 3.31Å; M235-K239 WeakPolarHBondContact O-CB 3.3Å; M235-K239 PolarHBondContact O-N 3.1Å; Q236-K239 PolarHBondContact O-N 3.34Å
240	E	85.6	Confident	87.9	Confident	71 Å²	71	66.7 Å²	66.7	33%	0.332	33%	0.333	S	S	.	.	H	α-helix	trans	-75.9	-35.9	-178	-167.2	-148.2	125.5	0	0	113.6	Q236 I238 R248 T316 T317	Q236-E240 WeakPolarHBondContact O-CB 3.41Å; Q236-E240 PolarHBondContact O-N 3.45Å; I238-E240 VanDerWaalsContact C-N 3.33Å; I238-E240 PolarHBondContact O-N 3.38Å; E240-R248 IonicContact OE1-NH1 2.99Å; E240-R248 PolarHBondContact OE1-NH1 2.81Å; E240-T316 WeakPolarHBondContact OE1-CA 3.42Å; E240-T317 PolarHBondContact O-OG1 3.33Å; E240-T317 PolarHBondContact OE1-N 2.83Å
241	G	80.9	Confident	88.1	Confident	25 Å²	25	65.8 Å²	65.8	26%	0.258	34%	0.338	S	S	.	.	H	α-helix	trans	-146.9	14.3	-168.3	0	0	0	0	0	115.9	M237	M237-G241 PolarHBondContact O-N 2.91Å
242	G	88.9	Confident	88.3	Confident	33 Å²	33	58.8 Å²	58.8	34%	0.34	30%	0.304	S	S	.	.			trans	70.7	-174.1	-175.3	0	0	0	0	0	113.8	I238 R244 S245	I238-G242 WeakPolarHBondContact O-CA 3.22Å; I238-G242 PolarHBondContact O-N 3.3Å; G242-R244 VanDerWaalsContact C-N 3.32Å; G242-R244 PolarHBondContact O-N 3.07Å; G242-S245 VanDerWaalsContact O-CB 3.23Å; G242-S245 WeakPolarHBondContact O-CB 3.16Å; G242-S245 PolarHBondContact O-N 2.99Å; G242-S245 VanDerWaalsContact O-N 3.07Å; G242-S245 PolarHBondContact O-OG 3.47Å
243	T	88.3	Confident	88.3	Confident	96 Å²	96	56.2 Å²	56.2	59%	0.589	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-62.6	-36.5	-178.8	54.2	0	0	0	0	112.7	S245 L246 W247	T243-S245 PolarHBondContact O-N 3.41Å; T243-S245 VanDerWaalsContact O-N 3.15Å; T243-L246 WeakPolarHBondContact O-CB 3.14Å; T243-L246 WeakPolarHBondContact O-CG 3.45Å; T243-L246 PolarHBondContact O-N 3.39Å; T243-W247 WeakPolarHBondContact O-CZ3 3.36Å
244	R	88.3	Confident	88.5	Confident	221 Å²	221	58.4 Å²	58.4	83%	0.834	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-62.5	-20.8	175.6	-70.1	-174.8	177.6	178.2	-0.3	113.1	G242 L246 W247	G242-R244 VanDerWaalsContact C-N 3.32Å; G242-R244 PolarHBondContact O-N 3.07Å; R244-L246 PolarHBondContact O-N 3.2Å; R244-W247 PolarHBondContact O-N 3.25Å
245	S	88.6	Confident	88.5	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.014	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-62.9	-32.7	178.6	101.9	0	0	0	0	111.3	R213 M237 G242 T243 W247 R248	R213-S245 WeakPolarHBondContact CD-O 3.15Å; R213-S245 VanDerWaalsContact CZ-O 3.29Å; R213-S245 PolarHBondContact NH1-O 3.41Å; R213-S245 PolarHBondContact NH1-OG 3.07Å; M237-S245 PolarHBondContact O-OG 3.16Å; G242-S245 VanDerWaalsContact O-CB 3.23Å; G242-S245 WeakPolarHBondContact O-CB 3.16Å; G242-S245 PolarHBondContact O-N 2.99Å; G242-S245 VanDerWaalsContact O-N 3.07Å; G242-S245 PolarHBondContact O-OG 3.47Å; T243-S245 PolarHBondContact O-N 3.41Å; T243-S245 VanDerWaalsContact O-N 3.15Å; S245-W247 PolarHBondContact O-N 3.24Å; S245-R248 WeakPolarHBondContact O-CB 3.39Å; S245-R248 VanDerWaalsContact O-CG 3.27Å; S245-R248 WeakPolarHBondContact O-CG 3.38Å; S245-R248 PolarHBondContact O-N 2.98Å
246	L	90.6	Very high	88.4	Confident	19 Å²	19	55.4 Å²	55.4	10%	0.099	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-54.7	-29.2	-176.9	-61.2	175.8	0	0	0	113.1	P210 L234 M237 I238 T243 R244	P210-L246 HydrophobicContact CB-CB 4.09Å; P210-L246 HydrophobicContact CB-CD1 4.48Å; P210-L246 HydrophobicContact CG-CB 4.12Å; L234-L246 HydrophobicContact CD2-CD2 3.96Å; M237-L246 HydrophobicContact CB-CD2 3.96Å; M237-L246 HydrophobicContact CE-CD2 3.69Å; M237-L246 HydrophobicContact SD-CD2 4.39Å; I238-L246 HydrophobicContact CD1-CD1 4.47Å; I238-L246 HydrophobicContact CG1-CD1 4.34Å; I238-L246 HydrophobicContact CG1-CD2 4.06Å; I238-L246 HydrophobicContact CG1-CG 4.31Å; T243-L246 WeakPolarHBondContact O-CB 3.14Å; T243-L246 WeakPolarHBondContact O-CG 3.45Å; T243-L246 PolarHBondContact O-N 3.39Å; R244-L246 PolarHBondContact O-N 3.2Å
247	W	92.3	Very high	88.2	Confident	107 Å²	107	51.9 Å²	51.9	41%	0.405	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-95.5	10.2	179.7	-71.2	-92.5	0	0	0	114.9	T206 A209 P210 T243 R244 S245 G249 N250	T206-W247 PolarHBondContact O-NE1 2.87Å; A209-W247 VanDerWaalsContact CB-CD1 3.49Å; A209-W247 HydrophobicContact CB-CG 4.29Å; P210-W247 HydrophobicContact CG-CH2 4.32Å; P210-W247 HydrophobicContact CG-CZ2 3.91Å; T243-W247 WeakPolarHBondContact O-CZ3 3.36Å; R244-W247 PolarHBondContact O-N 3.25Å; S245-W247 PolarHBondContact O-N 3.24Å; W247-G249 PolarHBondContact O-N 2.89Å; W247-N250 HydrophobicContact CB-CB 4.32Å; W247-N250 VanDerWaalsContact O-CB 3.25Å; W247-N250 WeakPolarHBondContact O-CB 3.33Å; W247-N250 PolarHBondContact O-N 3.04Å
248	R	90	Very high	87.8	Confident	25 Å²	25	55.1 Å²	55.1	9%	0.094	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	128.3	175.2	-75.6	176.6	-178.7	171.6	11.1	110.4	E240 S245 N250 R315 T317	E240-R248 IonicContact OE1-NH1 2.99Å; E240-R248 PolarHBondContact OE1-NH1 2.81Å; S245-R248 WeakPolarHBondContact O-CB 3.39Å; S245-R248 VanDerWaalsContact O-CG 3.27Å; S245-R248 WeakPolarHBondContact O-CG 3.38Å; S245-R248 PolarHBondContact O-N 2.98Å; R248-N250 VanDerWaalsContact C-N 3.32Å; R248-R315 PolarHBondContact NH1-O 3Å; R248-T317 PolarHBondContact NH2-OG1 3.36Å
249	G	86.6	Confident	87.6	Confident	11 Å²	11	54.4 Å²	54.4	11%	0.113	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	-14.7	-176.1	0	0	0	0	0	114.8	W247 G251 V252 N253	W247-G249 PolarHBondContact O-N 2.89Å; G249-G251 VanDerWaalsContact C-N 3.28Å; G249-G251 PolarHBondContact O-N 3.4Å; G249-V252 PolarHBondContact O-N 2.98Å; G249-N253 PolarHBondContact O-N 2.9Å
250	N	90.5	Very high	87.4	Confident	20 Å²	20	46.7 Å²	46.7	11%	0.107	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-34.9	-178.8	-173.1	53.2	0	0	0	112.9	R205 T206 A209 W247 R248 V252 N253 V254	R205-N250 PolarHBondContact O-OD1 3.03Å; T206-N250 PolarHBondContact OG1-ND2 3.4Å; T206-N250 VanDerWaalsContact OG1-ND2 3.07Å; A209-N250 HydrophobicContact CB-CB 3.94Å; W247-N250 HydrophobicContact CB-CB 4.32Å; W247-N250 VanDerWaalsContact O-CB 3.25Å; W247-N250 WeakPolarHBondContact O-CB 3.33Å; W247-N250 PolarHBondContact O-N 3.04Å; R248-N250 VanDerWaalsContact C-N 3.32Å; N250-V252 VanDerWaalsContact C-N 3.27Å; N250-V252 PolarHBondContact O-N 3.32Å; N250-N253 CarbonylContact O-C 3.6Å; N250-N253 WeakPolarHBondContact O-CA 3.38Å; N250-N253 VanDerWaalsContact O-CB 3.26Å; N250-N253 WeakPolarHBondContact O-CB 3.35Å; N250-N253 PolarHBondContact O-N 3.43Å; N250-V254 PolarHBondContact O-N 2.93Å
251	G	89.6	Confident	87	Confident	37 Å²	37	44.1 Å²	44.1	38%	0.381	25%	0.251	S	S	.	.	H	α-helix	trans	-55.6	-41.8	177.5	0	0	0	0	0	112.8	G249 N253 V254 I255	G249-G251 VanDerWaalsContact C-N 3.28Å; G249-G251 PolarHBondContact O-N 3.4Å; G251-N253 VanDerWaalsContact C-N 3.35Å; G251-V254 PolarHBondContact O-N 3.44Å; G251-I255 WeakPolarHBondContact O-CB 3.49Å; G251-I255 WeakPolarHBondContact O-CD1 3.3Å; G251-I255 WeakPolarHBondContact O-CG1 3.22Å; G251-I255 PolarHBondContact O-N 3.45Å
252	V	89.7	Confident	87.1	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.024	26%	0.262	C	S	.	.	H	α-helix	trans	-68.3	-37.7	175.2	-176.7	0	0	0	0	111.1	G249 N250 V254 I255 K256 M305 L308 K309 L312 I323	G249-V252 PolarHBondContact O-N 2.98Å; N250-V252 VanDerWaalsContact C-N 3.27Å; N250-V252 PolarHBondContact O-N 3.32Å; V252-V254 VanDerWaalsContact C-N 3.29Å; V252-V254 PolarHBondContact O-N 3.45Å; V252-I255 PolarHBondContact O-N 3.32Å; V252-K256 WeakPolarHBondContact O-CB 3.4Å; V252-K256 WeakPolarHBondContact O-CG 3.16Å; V252-K256 PolarHBondContact O-N 3.49Å; V252-M305 HydrophobicContact CG1-CB 4.06Å; V252-M305 HydrophobicContact CG1-CE 4.41Å; V252-M305 VanDerWaalsContact CG1-O 3.23Å; V252-M305 WeakPolarHBondContact CG1-O 3.44Å; V252-L308 HydrophobicContact CG1-CB 4.45Å; V252-K309 HydrophobicContact CB-CB 4.2Å; V252-K309 HydrophobicContact CG1-CB 4.01Å; V252-L312 HydrophobicContact CG2-CD1 3.55Å; V252-I323 HydrophobicContact CG2-CD1 3.72Å; V252-I323 HydrophobicContact CG2-CG1 3.77Å; V252-I323 HydrophobicContact CG2-CG2 3.94Å
253	N	85.9	Confident	86.8	Confident	4 Å²	4	46 Å²	46	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-32.3	179.2	-154.7	36.9	0	0	0	113.2	R205 D212 G249 N250 G251 K256 K309	R205-N253 PolarHBondContact NH1-O 3.3Å; D212-N253 PolarHBondContact OD2-ND2 2.87Å; G249-N253 PolarHBondContact O-N 2.9Å; N250-N253 CarbonylContact O-C 3.6Å; N250-N253 WeakPolarHBondContact O-CA 3.38Å; N250-N253 VanDerWaalsContact O-CB 3.26Å; N250-N253 WeakPolarHBondContact O-CB 3.35Å; N250-N253 PolarHBondContact O-N 3.43Å; G251-N253 VanDerWaalsContact C-N 3.35Å; N253-K256 WeakPolarHBondContact O-CG 3.23Å; N253-K256 VanDerWaalsContact OD1-CE 3.3Å; N253-K256 WeakPolarHBondContact OD1-CE 3.3Å; N253-K309 HydrophobicContact CB-CD 4.34Å; N253-K309 WeakPolarHBondContact OD1-CE 3.4Å; N253-K309 PolarHBondContact OD1-NZ 3.48Å
254	V	89.1	Confident	86.5	Confident	45 Å²	45	44.4 Å²	44.4	27%	0.273	24%	0.241	S	C	.	.	H	α-helix	trans	-81.6	-48.9	175.1	175.4	0	0	0	0	110.8	A202 N250 G251 V252 K256 I257	A202-V254 HydrophobicContact CB-CG1 3.78Å; N250-V254 PolarHBondContact O-N 2.93Å; G251-V254 PolarHBondContact O-N 3.44Å; V252-V254 VanDerWaalsContact C-N 3.29Å; V252-V254 PolarHBondContact O-N 3.45Å; V254-K256 PolarHBondContact O-N 3.02Å; V254-I257 WeakPolarHBondContact O-CB 3.39Å; V254-I257 WeakPolarHBondContact O-CG1 3.29Å; V254-I257 PolarHBondContact O-N 2.97Å; V254-I257 VanDerWaalsContact O-N 3.15Å
255	I	89.9	Confident	86	Confident	98 Å²	98	37.2 Å²	37.2	50%	0.503	22%	0.216	S	C	.	.	H	α-helix	trans	-59.5	-35.8	-178.6	-67.7	165.9	0	0	0	111.2	G251 V252 I257 P259 M305 I323	G251-I255 WeakPolarHBondContact O-CB 3.49Å; G251-I255 WeakPolarHBondContact O-CD1 3.3Å; G251-I255 WeakPolarHBondContact O-CG1 3.22Å; G251-I255 PolarHBondContact O-N 3.45Å; V252-I255 PolarHBondContact O-N 3.32Å; I255-I257 VanDerWaalsContact C-N 3.28Å; I255-I257 PolarHBondContact O-N 3.29Å; I255-P259 WeakPolarHBondContact O-CD 3.27Å; I255-M305 HydrophobicContact CB-CE 4.32Å; I255-M305 HydrophobicContact CG2-CE 3.81Å; I255-I323 HydrophobicContact CD1-CD1 3.96Å
256	K	86.1	Confident	85.6	Confident	1 Å²	1	42.3 Å²	42.3	0%	0.004	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-22.3	-178.6	75.2	174	-170.1	166	0	114.4	V252 N253 V254 A258 P259 E260 I302 M305 E306	V252-K256 WeakPolarHBondContact O-CB 3.4Å; V252-K256 WeakPolarHBondContact O-CG 3.16Å; V252-K256 PolarHBondContact O-N 3.49Å; N253-K256 WeakPolarHBondContact O-CG 3.23Å; N253-K256 VanDerWaalsContact OD1-CE 3.3Å; N253-K256 WeakPolarHBondContact OD1-CE 3.3Å; V254-K256 PolarHBondContact O-N 3.02Å; K256-A258 PolarHBondContact O-N 3.45Å; K256-P259 WeakPolarHBondContact O-CD 3.21Å; K256-E260 WeakPolarHBondContact O-CB 3.46Å; K256-E260 PolarHBondContact O-N 3.37Å; K256-I302 HydrophobicContact CB-CG2 4.4Å; K256-M305 HydrophobicContact CB-CB 4.5Å; K256-M305 HydrophobicContact CB-CE 3.7Å; K256-M305 HydrophobicContact CB-SD 4.09Å; K256-E306 IonicContact NZ-OE1 2.91Å; K256-E306 PolarHBondContact NZ-OE1 3.46Å; K256-E306 IonicContact NZ-OE2 3.97Å; K256-E306 PolarHBondContact NZ-OE2 2.62Å
257	I	82	Confident	85.2	Confident	17 Å²	17	41.8 Å²	41.8	9%	0.087	24%	0.239	C	C	.	.	H	α-helix	trans	-55.1	-53.7	-175.6	-62.7	165.3	0	0	0	111	A202 V254 I255 S261	A202-I257 HydrophobicContact CB-CD1 4.17Å; V254-I257 WeakPolarHBondContact O-CB 3.39Å; V254-I257 WeakPolarHBondContact O-CG1 3.29Å; V254-I257 PolarHBondContact O-N 2.97Å; V254-I257 VanDerWaalsContact O-N 3.15Å; I255-I257 VanDerWaalsContact C-N 3.28Å; I255-I257 PolarHBondContact O-N 3.29Å; I257-S261 WeakPolarHBondContact O-CB 3.33Å; I257-S261 PolarHBondContact O-N 2.89Å; I257-S261 PolarHBondContact O-OG 3.46Å
258	A	82.4	Confident	84.7	Confident	69 Å²	69	37.8 Å²	37.8	57%	0.57	22%	0.224	S	C	*	.	H	α-helix	trans	-68.6	-48.9	-172.9	0	0	0	0	0	112.6	K256 E260 S261 A262	K256-A258 PolarHBondContact O-N 3.45Å; A258-E260 VanDerWaalsContact C-N 3.34Å; A258-E260 PolarHBondContact O-N 3.22Å; A258-S261 PolarHBondContact O-N 2.87Å; A258-A262 WeakPolarHBondContact O-CB 3.32Å; A258-A262 PolarHBondContact O-N 2.89Å
259	P	86.7	Confident	84.2	Confident	49 Å²	49	38.6 Å²	38.6	32%	0.318	23%	0.229	S	C	.	.	H	α-helix	trans	-60.2	-40.4	174.8	-24.9	35.2	0	0	0	113.4	I255 K256 A262 L263 I302	I255-P259 WeakPolarHBondContact O-CD 3.27Å; K256-P259 WeakPolarHBondContact O-CD 3.21Å; P259-A262 PolarHBondContact O-N 2.8Å; P259-L263 VanDerWaalsContact O-CB 3.31Å; P259-L263 WeakPolarHBondContact O-CB 3.31Å; P259-L263 WeakPolarHBondContact O-CD1 3.38Å; P259-L263 VanDerWaalsContact O-CG 3.23Å; P259-L263 WeakPolarHBondContact O-CG 3.49Å; P259-L263 PolarHBondContact O-N 3.21Å; P259-I302 HydrophobicContact CB-CD1 3.77Å
260	E	82.8	Confident	84.2	Confident	27 Å²	27	42.9 Å²	42.9	13%	0.126	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-49.3	177.7	-178.2	179.6	-176.9	0	0	111.4	K256 A258 L263 K264 I302	K256-E260 WeakPolarHBondContact O-CB 3.46Å; K256-E260 PolarHBondContact O-N 3.37Å; A258-E260 VanDerWaalsContact C-N 3.34Å; A258-E260 PolarHBondContact O-N 3.22Å; E260-L263 PolarHBondContact O-N 2.84Å; E260-K264 WeakPolarHBondContact O-CB 3.4Å; E260-K264 PolarHBondContact O-N 2.83Å; E260-I302 HydrophobicContact CB-CD1 4.29Å; E260-I302 HydrophobicContact CB-CG1 3.99Å; E260-I302 HydrophobicContact CG-CG1 4.41Å
261	S	78.2	Confident	83.9	Confident	16 Å²	16	42.5 Å²	42.5	11%	0.112	24%	0.244	C	C	.	.	H	α-helix	trans	-61.6	-46.2	177.8	-50.6	0	0	0	0	111.6	V176 I257 A258 K264 F265	V176-S261 WeakPolarHBondContact CG2-OG 3.26Å; I257-S261 WeakPolarHBondContact O-CB 3.33Å; I257-S261 PolarHBondContact O-N 2.89Å; I257-S261 PolarHBondContact O-OG 3.46Å; A258-S261 PolarHBondContact O-N 2.87Å; S261-K264 PolarHBondContact O-N 3.26Å; S261-F265 WeakPolarHBondContact O-CB 3.31Å; S261-F265 PolarHBondContact O-N 3.43Å
262	A	81.9	Confident	83.4	Confident	59 Å²	59	42.3 Å²	42.3	49%	0.488	23%	0.232	S	C	.	.	H	α-helix	trans	-63.8	-44.6	-178.9	0	0	0	0	0	112	A258 P259 M266	A258-A262 WeakPolarHBondContact O-CB 3.32Å; A258-A262 PolarHBondContact O-N 2.89Å; P259-A262 PolarHBondContact O-N 2.8Å; A262-M266 VanDerWaalsContact O-CB 3.23Å; A262-M266 WeakPolarHBondContact O-CB 3.41Å; A262-M266 PolarHBondContact O-N 2.59Å
263	L	84.3	Confident	83	Confident	40 Å²	40	48.9 Å²	48.9	21%	0.209	26%	0.257	C	S	.	.	H	α-helix	trans	-66.6	-41.9	178.3	-74.5	166.6	0	0	0	111.9	P259 E260 M266 A267 A298 T301 I302	P259-L263 VanDerWaalsContact O-CB 3.31Å; P259-L263 WeakPolarHBondContact O-CB 3.31Å; P259-L263 WeakPolarHBondContact O-CD1 3.38Å; P259-L263 VanDerWaalsContact O-CG 3.23Å; P259-L263 WeakPolarHBondContact O-CG 3.49Å; P259-L263 PolarHBondContact O-N 3.21Å; E260-L263 PolarHBondContact O-N 2.84Å; L263-M266 HydrophobicContact CD2-CE 4.05Å; L263-M266 PolarHBondContact O-N 2.98Å; L263-A267 WeakPolarHBondContact O-CB 3.23Å; L263-A267 PolarHBondContact O-N 2.82Å; L263-A298 HydrophobicContact CB-CB 4.13Å; L263-T301 HydrophobicContact CD1-CG2 3.46Å; L263-T301 VanDerWaalsContact CD1-CG2 3.46Å; L263-T301 HydrophobicContact CD2-CG2 4.3Å; L263-I302 HydrophobicContact CD1-CD1 3.83Å; L263-I302 HydrophobicContact CD1-CG1 4.01Å
264	K	80.6	Confident	82.9	Confident	62 Å²	62	55.4 Å²	55.4	27%	0.27	29%	0.291	S	S	.	.	H	α-helix	trans	-60.2	-49.2	176.7	-168.9	-174.5	-173.4	-168.1	0	110.7	D178 E260 S261 A267 Y268 A298	D178-K264 WeakPolarHBondContact OD1-CE 3.44Å; D178-K264 IonicContact OD1-NZ 3.56Å; D178-K264 PolarHBondContact OD1-NZ 3.01Å; D178-K264 IonicContact OD2-NZ 2.68Å; E260-K264 WeakPolarHBondContact O-CB 3.4Å; E260-K264 PolarHBondContact O-N 2.83Å; S261-K264 PolarHBondContact O-N 3.26Å; K264-A267 PolarHBondContact O-N 3.49Å; K264-Y268 VanDerWaalsContact O-CB 3.29Å; K264-Y268 WeakPolarHBondContact O-CB 3.27Å; K264-Y268 PolarHBondContact O-N 2.91Å; K264-A298 HydrophobicContact CB-CB 3.94Å
265	F	77.5	Confident	82.5	Confident	70 Å²	70	56.5 Å²	56.5	31%	0.307	29%	0.294	S	S	.	.	H	α-helix	trans	-63.9	-46.8	179	-176.9	-98	0	0	0	112.3	F180 S261 A267 Y268 E269	F180-F265 AromaticContact CD2-CD2 3.97Å; F180-F265 HydrophobicContact CD2-CD2 3.97Å; F180-F265 AromaticContact CD2-CE2 3.6Å; F180-F265 HydrophobicContact CD2-CE2 3.6Å; F180-F265 HydrophobicContact CD2-CZ 4.21Å; F180-F265 HydrophobicContact CE2-CD2 4.08Å; F180-F265 HydrophobicContact CE2-CE2 4.16Å; S261-F265 WeakPolarHBondContact O-CB 3.31Å; S261-F265 PolarHBondContact O-N 3.43Å; F265-A267 PolarHBondContact O-N 2.6Å; F265-Y268 PolarHBondContact O-N 3.3Å; F265-E269 WeakPolarHBondContact O-CB 3.46Å; F265-E269 PolarHBondContact O-N 2.92Å
266	M	81.6	Confident	81.4	Confident	109 Å²	109	52.5 Å²	52.5	54%	0.537	28%	0.278	S	S	.	.	H	α-helix	trans	-60.7	-46.5	178	-176	-175.8	76.3	0	0	111.5	A262 L263 E269 Q270	A262-M266 VanDerWaalsContact O-CB 3.23Å; A262-M266 WeakPolarHBondContact O-CB 3.41Å; A262-M266 PolarHBondContact O-N 2.59Å; L263-M266 HydrophobicContact CD2-CE 4.05Å; L263-M266 PolarHBondContact O-N 2.98Å; M266-E269 PolarHBondContact O-N 3.3Å; M266-Q270 VanDerWaalsContact O-CG 3.27Å; M266-Q270 WeakPolarHBondContact O-CG 3.18Å; M266-Q270 PolarHBondContact O-N 3.44Å; M266-Q270 VanDerWaalsContact O-N 3.07Å
267	A	82.4	Confident	80	Confident	8 Å²	8	57.2 Å²	57.2	7%	0.066	31%	0.311	C	S	.	.	H	α-helix	trans	-63.4	-43	178.5	0	0	0	0	0	111.2	L263 K264 F265 E269 Q270 I271 A294 I297	L263-A267 WeakPolarHBondContact O-CB 3.23Å; L263-A267 PolarHBondContact O-N 2.82Å; K264-A267 PolarHBondContact O-N 3.49Å; F265-A267 PolarHBondContact O-N 2.6Å; A267-E269 PolarHBondContact O-N 2.93Å; A267-Q270 PolarHBondContact O-N 3.1Å; A267-I271 WeakPolarHBondContact O-CB 3.41Å; A267-I271 VanDerWaalsContact O-CD1 3.27Å; A267-I271 WeakPolarHBondContact O-CD1 3.48Å; A267-I271 WeakPolarHBondContact O-CG1 3.25Å; A267-I271 PolarHBondContact O-N 3.24Å; A267-A294 HydrophobicContact CB-CB 3.9Å; A267-I297 HydrophobicContact CB-CB 4.19Å; A267-I297 HydrophobicContact CB-CD1 4.35Å; A267-I297 HydrophobicContact CB-CG2 4.07Å
268	Y	80.9	Confident	78.7	Confident	22 Å²	22	64.2 Å²	64.2	9%	0.086	35%	0.348	C	S	.	.	H	α-helix	trans	-59.2	-48.4	177.5	-178	-100.3	0	0	0	112.2	K264 F265 Q270 I271 K272 A290 A294	K264-Y268 VanDerWaalsContact O-CB 3.29Å; K264-Y268 WeakPolarHBondContact O-CB 3.27Å; K264-Y268 PolarHBondContact O-N 2.91Å; F265-Y268 PolarHBondContact O-N 3.3Å; Y268-Q270 PolarHBondContact O-N 2.61Å; Y268-I271 PolarHBondContact O-N 2.79Å; Y268-K272 HydrophobicContact CE1-CD 3.98Å; Y268-K272 WeakPolarHBondContact O-CB 3.3Å; Y268-K272 PolarHBondContact O-N 2.86Å; Y268-A290 HydrophobicContact CD2-CB 4.11Å; Y268-A290 HydrophobicContact CE2-CB 3.87Å; Y268-A294 HydrophobicContact CD2-CB 4.42Å
269	E	79.9	Confident	77.3	Confident	43 Å²	43	67.5 Å²	67.5	20%	0.201	35%	0.35	C	S	.	.	H	α-helix	trans	-62.5	-41.6	179	-178.1	68.3	-162.7	0	0	111.8	K185 F265 M266 A267 K272 R273	K185-E269 IonicContact NZ-OE2 2.79Å; F265-E269 WeakPolarHBondContact O-CB 3.46Å; F265-E269 PolarHBondContact O-N 2.92Å; M266-E269 PolarHBondContact O-N 3.3Å; A267-E269 PolarHBondContact O-N 2.93Å; E269-K272 PolarHBondContact O-N 3.45Å; E269-R273 VanDerWaalsContact O-CG 3.29Å; E269-R273 WeakPolarHBondContact O-CG 2.97Å; E269-R273 PolarHBondContact O-N 2.77Å; E269-R273 IonicContact OE1-CZ 2.77Å; E269-R273 IonicContact OE1-NE 2.88Å; E269-R273 PolarHBondContact OE1-NE 2.87Å; E269-R273 IonicContact OE1-NH2 3.49Å; E269-R273 PolarHBondContact OE1-NH2 2.97Å
270	Q	85.3	Confident	75.9	Confident	101 Å²	101	74.6 Å²	74.6	47%	0.472	38%	0.378	S	S	.	.	H	α-helix	trans	-65.4	-44.9	177.1	-68.1	-64.9	-14.3	0	0	112	M266 A267 Y268 K272 R273 L274	M266-Q270 VanDerWaalsContact O-CG 3.27Å; M266-Q270 WeakPolarHBondContact O-CG 3.18Å; M266-Q270 PolarHBondContact O-N 3.44Å; M266-Q270 VanDerWaalsContact O-N 3.07Å; A267-Q270 PolarHBondContact O-N 3.1Å; Y268-Q270 PolarHBondContact O-N 2.61Å; Q270-K272 VanDerWaalsContact C-N 3.35Å; Q270-R273 PolarHBondContact O-N 3.33Å; Q270-L274 VanDerWaalsContact O-CG 3.32Å; Q270-L274 WeakPolarHBondContact O-CG 3.48Å; Q270-L274 PolarHBondContact O-N 3.04Å
271	I	84.6	Confident	74.8	Confident	12 Å²	12	78 Å²	78	6%	0.062	40%	0.402	C	S	.	.	H	α-helix	trans	-66.4	-40.2	178.6	-63.7	157.8	0	0	0	110.7	A267 Y268 R273 L274 I275 A290 L293 A294 I297	A267-I271 WeakPolarHBondContact O-CB 3.41Å; A267-I271 VanDerWaalsContact O-CD1 3.27Å; A267-I271 WeakPolarHBondContact O-CD1 3.48Å; A267-I271 WeakPolarHBondContact O-CG1 3.25Å; A267-I271 PolarHBondContact O-N 3.24Å; Y268-I271 PolarHBondContact O-N 2.79Å; I271-R273 VanDerWaalsContact C-N 3.34Å; I271-R273 PolarHBondContact O-N 3.41Å; I271-L274 PolarHBondContact O-N 3.35Å; I271-I275 HydrophobicContact CG2-CD1 3.55Å; I271-I275 HydrophobicContact CG2-CG1 4.22Å; I271-I275 WeakPolarHBondContact O-CG1 3.42Å; I271-I275 PolarHBondContact O-N 3.24Å; I271-A290 HydrophobicContact CB-CB 4.4Å; I271-A290 HydrophobicContact CG2-CB 3.79Å; I271-L293 HydrophobicContact CD1-CB 3.77Å; I271-L293 HydrophobicContact CD1-CD2 3.76Å; I271-L293 HydrophobicContact CD1-CG 3.59Å; I271-L293 HydrophobicContact CG1-CD2 3.97Å; I271-L293 HydrophobicContact CG1-CG 4.34Å; I271-L293 HydrophobicContact CG2-CD2 4.21Å; I271-A294 HydrophobicContact CD1-CB 3.99Å; I271-I297 HydrophobicContact CD1-CD1 4.04Å
272	K	78.6	Confident	74.1	Confident	33 Å²	33	77.6 Å²	77.6	14%	0.143	40%	0.398	C	S	.	.	H	α-helix	trans	-59.8	-42.3	174.9	175.4	162.4	-173.5	-174.7	0	111.8	E179 Y268 E269 Q270 I275 G276 L282	E179-K272 IonicContact OE1-NZ 3.75Å; E179-K272 PolarHBondContact OE1-NZ 2.9Å; Y268-K272 HydrophobicContact CE1-CD 3.98Å; Y268-K272 WeakPolarHBondContact O-CB 3.3Å; Y268-K272 PolarHBondContact O-N 2.86Å; E269-K272 PolarHBondContact O-N 3.45Å; Q270-K272 VanDerWaalsContact C-N 3.35Å; K272-I275 PolarHBondContact O-N 2.91Å; K272-G276 WeakPolarHBondContact O-CA 3.3Å; K272-G276 PolarHBondContact O-N 3.43Å; K272-L282 HydrophobicContact CB-CD1 4.09Å; K272-L282 HydrophobicContact CD-CD1 3.84Å; K272-L282 HydrophobicContact CD-CG 4.45Å; K272-L282 HydrophobicContact CG-CD1 3.59Å; K272-L282 HydrophobicContact CG-CG 4.15Å
273	R	81.9	Confident	73.6	Confident	142 Å²	142	78 Å²	78	54%	0.536	40%	0.397	S	S	.	.	H	α-helix	trans	-64.5	-39.2	174.9	-72.3	172.8	-171.2	-164.8	1	112.7	E269 Q270 I271 S277	E269-R273 VanDerWaalsContact O-CG 3.29Å; E269-R273 WeakPolarHBondContact O-CG 2.97Å; E269-R273 PolarHBondContact O-N 2.77Å; E269-R273 IonicContact OE1-CZ 2.77Å; E269-R273 IonicContact OE1-NE 2.88Å; E269-R273 PolarHBondContact OE1-NE 2.87Å; E269-R273 IonicContact OE1-NH2 3.49Å; E269-R273 PolarHBondContact OE1-NH2 2.97Å; Q270-R273 PolarHBondContact O-N 3.33Å; I271-R273 VanDerWaalsContact C-N 3.34Å; I271-R273 PolarHBondContact O-N 3.41Å; R273-S277 PolarHBondContact O-N 3.09Å; R273-S277 PolarHBondContact O-OG 3.11Å
274	L	84.2	Confident	72.8	Confident	141 Å²	141	82.8 Å²	82.8	74%	0.738	42%	0.421	S	S	*	.	H	α-helix	trans	-67.4	-37.9	177.3	-70.6	169.1	0	0	0	112.5	Q270 I271	Q270-L274 VanDerWaalsContact O-CG 3.32Å; Q270-L274 WeakPolarHBondContact O-CG 3.48Å; Q270-L274 PolarHBondContact O-N 3.04Å; I271-L274 PolarHBondContact O-N 3.35Å
275	I	79.7	Confident	72.1	Confident	67 Å²	67	85.7 Å²	85.7	34%	0.344	44%	0.439	S	S	.	.	H	α-helix	trans	-82.4	-39.1	-179.5	-64.5	171.9	0	0	0	111.8	I271 K272 L282 E286 V289 A290	I271-I275 HydrophobicContact CG2-CD1 3.55Å; I271-I275 HydrophobicContact CG2-CG1 4.22Å; I271-I275 WeakPolarHBondContact O-CG1 3.42Å; I271-I275 PolarHBondContact O-N 3.24Å; K272-I275 PolarHBondContact O-N 2.91Å; I275-L282 HydrophobicContact CG2-CD2 4.05Å; I275-E286 HydrophobicContact CG2-CB 4.01Å; I275-E286 HydrophobicContact CG2-CG 3.88Å; I275-V289 HydrophobicContact CD1-CG1 4.49Å; I275-A290 HydrophobicContact CD1-CB 4.24Å
276	G	67.1	Low	71.9	Confident	15 Å²	15	84.8 Å²	84.8	16%	0.155	44%	0.436	C	S	.	.			trans	-107.8	25.5	-166.6	0	0	0	0	0	115.3	K272 D278 K279	K272-G276 WeakPolarHBondContact O-CA 3.3Å; K272-G276 PolarHBondContact O-N 3.43Å; G276-D278 PolarHBondContact O-N 2.88Å; G276-K279 PolarHBondContact O-N 3.41Å
277	S	56.7	Low	71.4	Confident	100 Å²	100	83.9 Å²	83.9	70%	0.699	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-16.6	-175.8	-81.3	0	0	0	0	115.3	R273	R273-S277 PolarHBondContact O-N 3.09Å; R273-S277 PolarHBondContact O-OG 3.11Å
278	D	56	Low	70.8	Confident	163 Å²	163	89.1 Å²	89.1	87%	0.872	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124	9.8	177.7	-71	-40.4	0	0	0	115.4	G276	G276-D278 PolarHBondContact O-N 2.88Å
279	K	53.3	Low	70.6	Confident	139 Å²	139	91.5 Å²	91.5	60%	0.604	47%	0.465	S	S	*	.			trans	-136	125.4	-176.4	-66.4	-179.5	-175.3	170.9	0	113.3	G276 T281	G276-K279 PolarHBondContact O-N 3.41Å; K279-T281 PolarHBondContact O-N 3.29Å
280	E	56.1	Low	70.4	Confident	197 Å²	197	89.4 Å²	89.4	92%	0.921	46%	0.455	S	S	*	.	S	Bend	trans	-65	-23.8	174.6	-71.2	-170.3	151.5	0	0	113.3
281	T	60	Low	70	Confident	100 Å²	100	85.7 Å²	85.7	61%	0.613	44%	0.444	S	S	*	.	S	Bend	trans	-128.1	113.6	178.9	59.8	0	0	0	0	112.1	K279	K279-T281 PolarHBondContact O-N 3.29Å
282	L	63.5	Low	69.7	Low	7 Å²	7	87.7 Å²	87.7	4%	0.037	46%	0.459	C	S	.	.			trans	-65.3	143.9	170	-69	-176.4	0	0	0	111.9	K272 I275 E286 R287	K272-L282 HydrophobicContact CB-CD1 4.09Å; K272-L282 HydrophobicContact CD-CD1 3.84Å; K272-L282 HydrophobicContact CD-CG 4.45Å; K272-L282 HydrophobicContact CG-CD1 3.59Å; K272-L282 HydrophobicContact CG-CG 4.15Å; I275-L282 HydrophobicContact CG2-CD2 4.05Å; L282-E286 WeakPolarHBondContact CA-OE2 3.29Å; L282-E286 HydrophobicContact CB-CB 4.11Å; L282-E286 HydrophobicContact CD2-CB 4.13Å; L282-E286 HydrophobicContact CG-CB 4.5Å; L282-R287 HydrophobicContact CB-CG 3.59Å; L282-R287 HydrophobicContact CD1-CG 4.06Å; L282-R287 VanDerWaalsContact O-CZ 3.27Å; L282-R287 PolarHBondContact O-NE 3.36Å; L282-R287 PolarHBondContact O-NH2 2.9Å
283	S	70.8	Confident	69.8	Low	66 Å²	66	90 Å²	90	46%	0.462	47%	0.472	S	S	.	.			trans	-62.3	157	167	178.7	0	0	0	0	111.4	L285 E286 R287	S283-L285 PolarHBondContact O-N 3.1Å; S283-E286 WeakPolarHBondContact CB-OE2 3.35Å; S283-E286 PolarHBondContact N-OE2 3.08Å; S283-E286 WeakPolarHBondContact O-CB 3.33Å; S283-E286 PolarHBondContact O-N 3.12Å; S283-E286 VanDerWaalsContact O-N 3.1Å; S283-R287 WeakPolarHBondContact O-CG 2.95Å; S283-R287 PolarHBondContact O-N 3.27Å
284	I	68	Low	69.7	Low	141 Å²	141	83.3 Å²	83.3	72%	0.723	45%	0.447	S	S	*	.	H	α-helix	trans	-55.2	-42.8	177.4	-63.1	166.9	0	0	0	110.7	R287 F288	I284-R287 PolarHBondContact O-N 3.21Å; I284-F288 WeakPolarHBondContact O-CB 3.47Å; I284-F288 PolarHBondContact O-N 3.01Å
285	L	66.1	Low	69.6	Low	123 Å²	123	77.8 Å²	77.8	64%	0.644	42%	0.424	S	S	*	.	H	α-helix	trans	-66.3	-40.9	178.3	-172	69.8	0	0	0	111.7	S283 F288 V289	S283-L285 PolarHBondContact O-N 3.1Å; L285-F288 PolarHBondContact O-N 3.5Å; L285-V289 VanDerWaalsContact O-CG2 3.3Å; L285-V289 WeakPolarHBondContact O-CG2 3.44Å; L285-V289 PolarHBondContact O-N 3.34Å
286	E	73.4	Confident	69.8	Low	51 Å²	51	77.6 Å²	77.6	24%	0.238	43%	0.426	C	S	.	.	H	α-helix	trans	-65.8	-41	178	-68.7	169.2	165.3	0	0	111.3	I275 L282 S283 V289 A290	I275-E286 HydrophobicContact CG2-CB 4.01Å; I275-E286 HydrophobicContact CG2-CG 3.88Å; L282-E286 WeakPolarHBondContact CA-OE2 3.29Å; L282-E286 HydrophobicContact CB-CB 4.11Å; L282-E286 HydrophobicContact CD2-CB 4.13Å; L282-E286 HydrophobicContact CG-CB 4.5Å; S283-E286 WeakPolarHBondContact CB-OE2 3.35Å; S283-E286 PolarHBondContact N-OE2 3.08Å; S283-E286 WeakPolarHBondContact O-CB 3.33Å; S283-E286 PolarHBondContact O-N 3.12Å; S283-E286 VanDerWaalsContact O-N 3.1Å; E286-V289 PolarHBondContact O-N 2.95Å; E286-A290 VanDerWaalsContact O-CB 3.23Å; E286-A290 WeakPolarHBondContact O-CB 3.48Å; E286-A290 PolarHBondContact O-N 3.1Å
287	R	71.3	Confident	70.8	Confident	90 Å²	90	80.3 Å²	80.3	34%	0.34	44%	0.436	S	S	.	.	H	α-helix	trans	-63.4	-41.9	173.7	-68.8	179	-175.9	157.5	2	111.8	L282 S283 I284 A290 G291	L282-R287 HydrophobicContact CB-CG 3.59Å; L282-R287 HydrophobicContact CD1-CG 4.06Å; L282-R287 VanDerWaalsContact O-CZ 3.27Å; L282-R287 PolarHBondContact O-NE 3.36Å; L282-R287 PolarHBondContact O-NH2 2.9Å; S283-R287 WeakPolarHBondContact O-CG 2.95Å; S283-R287 PolarHBondContact O-N 3.27Å; I284-R287 PolarHBondContact O-N 3.21Å; R287-A290 PolarHBondContact O-N 3.2Å; R287-G291 PolarHBondContact O-N 2.87Å
288	F	70.3	Confident	72.2	Confident	118 Å²	118	75.8 Å²	75.8	52%	0.518	41%	0.405	S	S	.	.	H	α-helix	trans	-63.6	-45.6	177.3	179.4	-95.7	0	0	0	111.7	I284 L285 G291 S292	I284-F288 WeakPolarHBondContact O-CB 3.47Å; I284-F288 PolarHBondContact O-N 3.01Å; L285-F288 PolarHBondContact O-N 3.5Å; F288-G291 PolarHBondContact O-N 3.35Å; F288-S292 VanDerWaalsContact O-CB 3.23Å; F288-S292 WeakPolarHBondContact O-CB 3.46Å; F288-S292 PolarHBondContact O-N 3.01Å; F288-S292 PolarHBondContact O-OG 3.01Å
289	V	76.2	Confident	73.6	Confident	72 Å²	72	68.9 Å²	68.9	44%	0.436	37%	0.368	S	S	.	.	H	α-helix	trans	-64.1	-44.8	176.3	171.3	0	0	0	0	110.7	I275 L285 E286 S292 L293	I275-V289 HydrophobicContact CD1-CG1 4.49Å; L285-V289 VanDerWaalsContact O-CG2 3.3Å; L285-V289 WeakPolarHBondContact O-CG2 3.44Å; L285-V289 PolarHBondContact O-N 3.34Å; E286-V289 PolarHBondContact O-N 2.95Å; V289-S292 PolarHBondContact O-N 3.39Å; V289-L293 WeakPolarHBondContact O-CB 3.34Å; V289-L293 PolarHBondContact O-N 2.8Å
290	A	76.5	Confident	75.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61.8	-46.7	177.5	0	0	0	0	0	112.2	Y268 I271 I275 E286 R287 A294	Y268-A290 HydrophobicContact CD2-CB 4.11Å; Y268-A290 HydrophobicContact CE2-CB 3.87Å; I271-A290 HydrophobicContact CB-CB 4.4Å; I271-A290 HydrophobicContact CG2-CB 3.79Å; I275-A290 HydrophobicContact CD1-CB 4.24Å; E286-A290 VanDerWaalsContact O-CB 3.23Å; E286-A290 WeakPolarHBondContact O-CB 3.48Å; E286-A290 PolarHBondContact O-N 3.1Å; R287-A290 PolarHBondContact O-N 3.2Å; A290-A294 WeakPolarHBondContact O-CB 3.47Å; A290-A294 PolarHBondContact O-N 2.88Å
291	G	75.3	Confident	77	Confident	23 Å²	23	57.9 Å²	57.9	24%	0.237	33%	0.327	C	S	.	.	H	α-helix	trans	-63.1	-43.2	176.8	0	0	0	0	0	112.6	R287 F288 A294 G295	R287-G291 PolarHBondContact O-N 2.87Å; F288-G291 PolarHBondContact O-N 3.35Å; G291-A294 PolarHBondContact O-N 3.31Å; G291-G295 PolarHBondContact O-N 3.42Å
292	S	77.9	Confident	78.5	Confident	53 Å²	53	53.4 Å²	53.4	37%	0.371	30%	0.299	S	S	.	.	H	α-helix	trans	-64.9	-47.2	178.8	-62	0	0	0	0	111.8	F288 V289 G295 V296	F288-S292 VanDerWaalsContact O-CB 3.23Å; F288-S292 WeakPolarHBondContact O-CB 3.46Å; F288-S292 PolarHBondContact O-N 3.01Å; F288-S292 PolarHBondContact O-OG 3.01Å; V289-S292 PolarHBondContact O-N 3.39Å; S292-G295 PolarHBondContact O-N 3.4Å; S292-V296 WeakPolarHBondContact O-CG2 3.43Å; S292-V296 PolarHBondContact O-N 2.76Å
293	L	81.9	Confident	79.8	Confident	83 Å²	83	53.1 Å²	53.1	44%	0.435	30%	0.297	S	S	.	.	H	α-helix	trans	-67.9	-38.7	179.1	-178.6	64	0	0	0	111.5	I271 V289 G295 V296 I297	I271-L293 HydrophobicContact CD1-CB 3.77Å; I271-L293 HydrophobicContact CD1-CD2 3.76Å; I271-L293 HydrophobicContact CD1-CG 3.59Å; I271-L293 HydrophobicContact CG1-CD2 3.97Å; I271-L293 HydrophobicContact CG1-CG 4.34Å; I271-L293 HydrophobicContact CG2-CD2 4.21Å; V289-L293 WeakPolarHBondContact O-CB 3.34Å; V289-L293 PolarHBondContact O-N 2.8Å; L293-G295 VanDerWaalsContact C-N 3.34Å; L293-G295 PolarHBondContact O-N 3.07Å; L293-V296 PolarHBondContact O-N 3.23Å; L293-I297 HydrophobicContact CD1-CD1 4.47Å; L293-I297 HydrophobicContact CG-CD1 4.17Å; L293-I297 VanDerWaalsContact O-CG1 3.31Å; L293-I297 WeakPolarHBondContact O-CG1 3.47Å; L293-I297 PolarHBondContact O-N 2.89Å
294	A	80.6	Confident	80.8	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.008	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-43.8	172.9	0	0	0	0	0	112	A267 Y268 I271 A290 G291 I297 A298	A267-A294 HydrophobicContact CB-CB 3.9Å; Y268-A294 HydrophobicContact CD2-CB 4.42Å; I271-A294 HydrophobicContact CD1-CB 3.99Å; A290-A294 WeakPolarHBondContact O-CB 3.47Å; A290-A294 PolarHBondContact O-N 2.88Å; G291-A294 PolarHBondContact O-N 3.31Å; A294-I297 PolarHBondContact O-N 2.91Å; A294-A298 WeakPolarHBondContact O-CB 3.37Å; A294-A298 PolarHBondContact O-N 3.37Å
295	G	80.5	Confident	81.9	Confident	25 Å²	25	46.6 Å²	46.6	26%	0.258	26%	0.26	S	S	.	.	H	α-helix	trans	-60.1	-44.2	174.8	0	0	0	0	0	112.2	G291 S292 L293 Q299	G291-G295 PolarHBondContact O-N 3.42Å; S292-G295 PolarHBondContact O-N 3.4Å; L293-G295 VanDerWaalsContact C-N 3.34Å; L293-G295 PolarHBondContact O-N 3.07Å; G295-Q299 WeakPolarHBondContact O-CB 3.2Å; G295-Q299 PolarHBondContact O-N 3.39Å
296	V	84.7	Confident	82.9	Confident	62 Å²	62	41 Å²	41	38%	0.376	23%	0.23	S	C	.	.	H	α-helix	trans	-61.3	-49.3	175.5	171.3	0	0	0	0	110.9	S292 L293 A298 Q299 S300 M347	S292-V296 WeakPolarHBondContact O-CG2 3.43Å; S292-V296 PolarHBondContact O-N 2.76Å; L293-V296 PolarHBondContact O-N 3.23Å; V296-A298 PolarHBondContact O-N 3.4Å; V296-Q299 PolarHBondContact O-N 3.44Å; V296-S300 WeakPolarHBondContact O-CB 3.23Å; V296-S300 PolarHBondContact O-N 2.95Å; V296-S300 PolarHBondContact O-OG 3.18Å; V296-M347 HydrophobicContact CG1-SD 4.47Å; V296-M347 HydrophobicContact CG2-SD 4.49Å
297	I	87.6	Confident	83.7	Confident	73 Å²	73	38.6 Å²	38.6	37%	0.374	22%	0.219	S	C	.	.	H	α-helix	trans	-60.4	-47.1	-179.7	-68.3	168.9	0	0	0	111.4	A267 I271 L293 A294 S300 T301	A267-I297 HydrophobicContact CB-CB 4.19Å; A267-I297 HydrophobicContact CB-CD1 4.35Å; A267-I297 HydrophobicContact CB-CG2 4.07Å; I271-I297 HydrophobicContact CD1-CD1 4.04Å; L293-I297 HydrophobicContact CD1-CD1 4.47Å; L293-I297 HydrophobicContact CG-CD1 4.17Å; L293-I297 VanDerWaalsContact O-CG1 3.31Å; L293-I297 WeakPolarHBondContact O-CG1 3.47Å; L293-I297 PolarHBondContact O-N 2.89Å; A294-I297 PolarHBondContact O-N 2.91Å; I297-S300 PolarHBondContact O-N 3.34Å; I297-T301 WeakPolarHBondContact O-CB 3.4Å; I297-T301 PolarHBondContact O-N 2.83Å; I297-T301 VanDerWaalsContact O-N 3.09Å; I297-T301 PolarHBondContact O-OG1 2.95Å
298	A	85.7	Confident	84.7	Confident	5 Å²	5	35.1 Å²	35.1	4%	0.041	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-46.6	177.1	0	0	0	0	0	110.8	L263 K264 A294 V296 S300 T301 I302	L263-A298 HydrophobicContact CB-CB 4.13Å; K264-A298 HydrophobicContact CB-CB 3.94Å; A294-A298 WeakPolarHBondContact O-CB 3.37Å; A294-A298 PolarHBondContact O-N 3.37Å; V296-A298 PolarHBondContact O-N 3.4Å; A298-S300 PolarHBondContact O-N 2.93Å; A298-T301 PolarHBondContact O-N 3.41Å; A298-I302 WeakPolarHBondContact O-CB 3.24Å; A298-I302 WeakPolarHBondContact O-CG1 3.38Å; A298-I302 PolarHBondContact O-N 2.95Å
299	Q	86.4	Confident	85.7	Confident	18 Å²	18	30.3 Å²	30.3	8%	0.084	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-43.6	179.2	-173	66.5	58.1	0	0	112.2	G295 V296 T301 I302 Y303 M347	G295-Q299 WeakPolarHBondContact O-CB 3.2Å; G295-Q299 PolarHBondContact O-N 3.39Å; V296-Q299 PolarHBondContact O-N 3.44Å; Q299-T301 VanDerWaalsContact C-N 3.26Å; Q299-T301 PolarHBondContact O-N 2.96Å; Q299-I302 PolarHBondContact O-N 2.97Å; Q299-Y303 WeakPolarHBondContact O-CA 3.27Å; Q299-Y303 VanDerWaalsContact O-CB 3.27Å; Q299-Y303 WeakPolarHBondContact O-CB 3.3Å; Q299-Y303 PolarHBondContact O-N 2.74Å; Q299-M347 HydrophobicContact CB-CE 4.25Å; Q299-M347 HydrophobicContact CG-CE 3.57Å
300	S	90.2	Very high	86.4	Confident	31 Å²	31	27.2 Å²	27.2	22%	0.217	17%	0.167	C	C	.	.	H	α-helix	trans	-61.8	-36.3	177.2	-53.7	0	0	0	0	112	V296 I297 A298 Y340 Y343	V296-S300 WeakPolarHBondContact O-CB 3.23Å; V296-S300 PolarHBondContact O-N 2.95Å; V296-S300 PolarHBondContact O-OG 3.18Å; I297-S300 PolarHBondContact O-N 3.34Å; A298-S300 PolarHBondContact O-N 2.93Å; S300-Y340 WeakPolarHBondContact O-CE1 3.45Å; S300-Y340 PolarHBondContact O-OH 2.93Å; S300-Y343 PolarHBondContact OG-OH 2.75Å
301	T	91.2	Very high	87	Confident	74 Å²	74	27.2 Å²	27.2	45%	0.454	17%	0.167	S	C	.	.	H	α-helix	trans	-76.5	-39.7	-179	-53.6	0	0	0	0	111.7	L263 I297 A298 Q299 P304	L263-T301 HydrophobicContact CD1-CG2 3.46Å; L263-T301 VanDerWaalsContact CD1-CG2 3.46Å; L263-T301 HydrophobicContact CD2-CG2 4.3Å; I297-T301 WeakPolarHBondContact O-CB 3.4Å; I297-T301 PolarHBondContact O-N 2.83Å; I297-T301 VanDerWaalsContact O-N 3.09Å; I297-T301 PolarHBondContact O-OG1 2.95Å; A298-T301 PolarHBondContact O-N 3.41Å; Q299-T301 VanDerWaalsContact C-N 3.26Å; Q299-T301 PolarHBondContact O-N 2.96Å; T301-P304 WeakPolarHBondContact O-CD 3.5Å
302	I	89.9	Confident	87.8	Confident	6 Å²	6	26.4 Å²	26.4	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-81.3	-16.8	179.8	-65.3	-63.2	0	0	0	112.7	K256 P259 E260 L263 A298 Q299 P304 M305 E306	K256-I302 HydrophobicContact CB-CG2 4.4Å; P259-I302 HydrophobicContact CB-CD1 3.77Å; E260-I302 HydrophobicContact CB-CD1 4.29Å; E260-I302 HydrophobicContact CB-CG1 3.99Å; E260-I302 HydrophobicContact CG-CG1 4.41Å; L263-I302 HydrophobicContact CD1-CD1 3.83Å; L263-I302 HydrophobicContact CD1-CG1 4.01Å; A298-I302 WeakPolarHBondContact O-CB 3.24Å; A298-I302 WeakPolarHBondContact O-CG1 3.38Å; A298-I302 PolarHBondContact O-N 2.95Å; Q299-I302 PolarHBondContact O-N 2.97Å; I302-P304 VanDerWaalsContact C-N 3.33Å; I302-P304 VanDerWaalsContact O-N 3.12Å; I302-M305 HydrophobicContact CD1-SD 4.11Å; I302-M305 HydrophobicContact CG2-CB 4.41Å; I302-M305 WeakPolarHBondContact O-CA 3.47Å; I302-M305 VanDerWaalsContact O-CB 3.3Å; I302-M305 WeakPolarHBondContact O-CB 3.5Å; I302-M305 PolarHBondContact O-N 3.23Å; I302-E306 PolarHBondContact O-N 2.96Å
303	Y	90.6	Very high	88.3	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-49.8	-40.7	-174.7	-158.4	-92.3	0	0	0	115.4	Q299 M305 E306 V307 F339 Y340 K341 G342 Y343 N346 Q410	Q299-Y303 WeakPolarHBondContact O-CA 3.27Å; Q299-Y303 VanDerWaalsContact O-CB 3.27Å; Q299-Y303 WeakPolarHBondContact O-CB 3.3Å; Q299-Y303 PolarHBondContact O-N 2.74Å; Y303-M305 PolarHBondContact O-N 3.14Å; Y303-E306 WeakPolarHBondContact O-CB 3.23Å; Y303-E306 PolarHBondContact O-N 3.23Å; Y303-V307 HydrophobicContact CD1-CG2 4.1Å; Y303-V307 HydrophobicContact CE1-CG2 3.67Å; Y303-V307 PolarHBondContact O-N 3.16Å; Y303-F339 VanDerWaalsContact CD1-O 3.25Å; Y303-F339 WeakPolarHBondContact CD1-O 3.11Å; Y303-Y340 HydrophobicContact CD1-CD1 4.02Å; Y303-Y340 HydrophobicContact CD1-CG 4.46Å; Y303-Y340 HydrophobicContact CG-CD1 4.47Å; Y303-K341 VanDerWaalsContact CE1-O 3.3Å; Y303-K341 WeakPolarHBondContact CE1-O 3.47Å; Y303-K341 PolarHBondContact OH-O 3.49Å; Y303-G342 VanDerWaalsContact OH-CA 3.3Å; Y303-G342 WeakPolarHBondContact OH-CA 3.35Å; Y303-G342 PolarHBondContact OH-O 3.47Å; Y303-G342 VanDerWaalsContact OH-O 3.14Å; Y303-Y343 HydrophobicContact CD1-CD2 4.28Å; Y303-Y343 AromaticContact CD2-CD2 3.72Å; Y303-Y343 HydrophobicContact CD2-CD2 3.72Å; Y303-Y343 HydrophobicContact CE2-CD2 4.1Å; Y303-Y343 AromaticContact CG-CD2 3.84Å; Y303-Y343 HydrophobicContact CG-CD2 3.84Å; Y303-Y343 PolarHBondContact OH-N 3.21Å; Y303-Y343 VanDerWaalsContact OH-N 3.09Å; Y303-N346 HydrophobicContact CE2-CB 3.96Å; Y303-Q410 PolarHBondContact OH-NE2 2.93Å
304	P	92.3	Very high	88.6	Confident	28 Å²	28	20.3 Å²	20.3	18%	0.182	12%	0.122	C	C	.	.	H	α-helix	trans	-54.8	-36.8	173.8	-28.6	38	0	0	0	113.8	T301 I302 V307 L308 F339 Y340	T301-P304 WeakPolarHBondContact O-CD 3.5Å; I302-P304 VanDerWaalsContact C-N 3.33Å; I302-P304 VanDerWaalsContact O-N 3.12Å; P304-V307 PolarHBondContact O-N 3.47Å; P304-L308 WeakPolarHBondContact O-CD1 3.34Å; P304-L308 WeakPolarHBondContact O-CG 3.35Å; P304-L308 PolarHBondContact O-N 3.07Å; P304-F339 HydrophobicContact CB-CB 3.98Å; P304-F339 HydrophobicContact CB-CD1 3.99Å; P304-F339 HydrophobicContact CB-CG 4.34Å; P304-F339 HydrophobicContact CG-CB 4.27Å; P304-Y340 HydrophobicContact CG-CE2 4.02Å
305	M	90.4	Very high	88.8	Confident	43 Å²	43	22.9 Å²	22.9	21%	0.212	13%	0.131	C	C	.	.	H	α-helix	trans	-69.6	-33.3	176.6	-59.5	-177.8	73.9	0	0	111.9	V252 I255 K256 I302 Y303 L308 K309	V252-M305 HydrophobicContact CG1-CB 4.06Å; V252-M305 HydrophobicContact CG1-CE 4.41Å; V252-M305 VanDerWaalsContact CG1-O 3.23Å; V252-M305 WeakPolarHBondContact CG1-O 3.44Å; I255-M305 HydrophobicContact CB-CE 4.32Å; I255-M305 HydrophobicContact CG2-CE 3.81Å; K256-M305 HydrophobicContact CB-CB 4.5Å; K256-M305 HydrophobicContact CB-CE 3.7Å; K256-M305 HydrophobicContact CB-SD 4.09Å; I302-M305 HydrophobicContact CD1-SD 4.11Å; I302-M305 HydrophobicContact CG2-CB 4.41Å; I302-M305 WeakPolarHBondContact O-CA 3.47Å; I302-M305 VanDerWaalsContact O-CB 3.3Å; I302-M305 WeakPolarHBondContact O-CB 3.5Å; I302-M305 PolarHBondContact O-N 3.23Å; Y303-M305 PolarHBondContact O-N 3.14Å; M305-L308 PolarHBondContact O-N 3.22Å; M305-K309 WeakPolarHBondContact O-CB 3.48Å; M305-K309 PolarHBondContact O-N 2.84Å
306	E	88.3	Confident	88.9	Confident	6 Å²	6	25 Å²	25	3%	0.028	14%	0.14	C	C	.	.	H	α-helix	trans	-63.2	-43.2	173.4	-64.8	-69.4	-179.7	0	0	111.3	K256 I302 Y303 K309 T310	K256-E306 IonicContact NZ-OE1 2.91Å; K256-E306 PolarHBondContact NZ-OE1 3.46Å; K256-E306 IonicContact NZ-OE2 3.97Å; K256-E306 PolarHBondContact NZ-OE2 2.62Å; I302-E306 PolarHBondContact O-N 2.96Å; Y303-E306 WeakPolarHBondContact O-CB 3.23Å; Y303-E306 PolarHBondContact O-N 3.23Å; E306-K309 WeakPolarHBondContact O-CB 3.45Å; E306-K309 PolarHBondContact O-N 3.29Å; E306-T310 PolarHBondContact O-N 2.87Å; E306-T310 PolarHBondContact O-OG1 3.17Å
307	V	90.8	Very high	88.7	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-46.4	175.9	-179.4	0	0	0	0	110.4	Y303 P304 K309 T310 R311 F339 Q410	Y303-V307 HydrophobicContact CD1-CG2 4.1Å; Y303-V307 HydrophobicContact CE1-CG2 3.67Å; Y303-V307 PolarHBondContact O-N 3.16Å; P304-V307 PolarHBondContact O-N 3.47Å; V307-K309 VanDerWaalsContact C-N 3.32Å; V307-K309 PolarHBondContact O-N 2.83Å; V307-T310 PolarHBondContact O-N 3.03Å; V307-R311 HydrophobicContact CG1-CG 4.12Å; V307-R311 WeakPolarHBondContact O-CB 3.46Å; V307-R311 WeakPolarHBondContact O-CG 3.49Å; V307-R311 PolarHBondContact O-N 3.03Å; V307-F339 WeakPolarHBondContact CG2-O 3.17Å; V307-Q410 HydrophobicContact CG2-CG 4.16Å
308	L	91.9	Very high	88.2	Confident	16 Å²	16	26.5 Å²	26.5	8%	0.084	17%	0.168	C	C	.	.	H	α-helix	trans	-57.1	-43.3	175.9	-81.1	152.1	0	0	0	112.3	V252 P304 M305 R311 L312 C326 A327 I330 F339	V252-L308 HydrophobicContact CG1-CB 4.45Å; P304-L308 WeakPolarHBondContact O-CD1 3.34Å; P304-L308 WeakPolarHBondContact O-CG 3.35Å; P304-L308 PolarHBondContact O-N 3.07Å; M305-L308 PolarHBondContact O-N 3.22Å; L308-R311 PolarHBondContact O-N 3.27Å; L308-L312 WeakPolarHBondContact O-CB 3.42Å; L308-L312 VanDerWaalsContact O-CG 3.29Å; L308-L312 WeakPolarHBondContact O-CG 2.85Å; L308-L312 PolarHBondContact O-N 2.61Å; L308-C326 HydrophobicContact CD2-CB 4.25Å; L308-A327 HydrophobicContact CD1-CB 4.5Å; L308-A327 HydrophobicContact CD2-CB 3.82Å; L308-I330 HydrophobicContact CD2-CD1 4.27Å; L308-F339 HydrophobicContact CD1-CD1 4.44Å; L308-F339 HydrophobicContact CD1-CE1 4.09Å; L308-F339 HydrophobicContact CG-CE1 4.19Å
309	K	91.1	Very high	88	Confident	17 Å²	17	29 Å²	29	7%	0.074	18%	0.179	C	C	.	.	H	α-helix	trans	-56.4	-53.5	174.9	174.7	-171.4	172	177.7	0	110.5	D212 V252 N253 M305 E306 V307 R311 L312 A313	D212-K309 IonicContact OD2-NZ 3.37Å; V252-K309 HydrophobicContact CB-CB 4.2Å; V252-K309 HydrophobicContact CG1-CB 4.01Å; N253-K309 HydrophobicContact CB-CD 4.34Å; N253-K309 WeakPolarHBondContact OD1-CE 3.4Å; N253-K309 PolarHBondContact OD1-NZ 3.48Å; M305-K309 WeakPolarHBondContact O-CB 3.48Å; M305-K309 PolarHBondContact O-N 2.84Å; E306-K309 WeakPolarHBondContact O-CB 3.45Å; E306-K309 PolarHBondContact O-N 3.29Å; V307-K309 VanDerWaalsContact C-N 3.32Å; V307-K309 PolarHBondContact O-N 2.83Å; K309-R311 PolarHBondContact O-N 2.98Å; K309-L312 PolarHBondContact O-N 3.05Å; K309-A313 WeakPolarHBondContact O-CB 3.19Å; K309-A313 PolarHBondContact O-N 2.94Å
310	T	90.8	Very high	87.9	Confident	7 Å²	7	29.2 Å²	29.2	4%	0.043	18%	0.179	C	C	.	.	H	α-helix	trans	-61.8	-43.6	-178.2	-61.9	0	0	0	0	111.7	V216 E306 V307 L312 A313 L314 T407 Q410	V216-T310 HydrophobicContact CG1-CG2 4.08Å; E306-T310 PolarHBondContact O-N 2.87Å; E306-T310 PolarHBondContact O-OG1 3.17Å; V307-T310 PolarHBondContact O-N 3.03Å; T310-L312 PolarHBondContact O-N 3.31Å; T310-A313 PolarHBondContact O-N 3.19Å; T310-L314 HydrophobicContact CG2-CD1 3.81Å; T310-L314 WeakPolarHBondContact O-CD1 3.3Å; T310-L314 WeakPolarHBondContact O-CG 3.43Å; T310-L314 PolarHBondContact O-N 3.43Å; T310-L314 VanDerWaalsContact O-N 3.12Å; T310-T407 HydrophobicContact CG2-CG2 4.16Å; T310-Q410 HydrophobicContact CG2-CB 3.79Å; T310-Q410 PolarHBondContact OG1-OE1 3.17Å
311	R	89.9	Confident	87.5	Confident	1 Å²	1	32.4 Å²	32.4	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-63	-42.9	177.3	-66.1	-68.3	-166.8	172.5	8.8	112.6	V307 L308 K309 L314 R315 I330 E334 Q410 A411 A413	V307-R311 HydrophobicContact CG1-CG 4.12Å; V307-R311 WeakPolarHBondContact O-CB 3.46Å; V307-R311 WeakPolarHBondContact O-CG 3.49Å; V307-R311 PolarHBondContact O-N 3.03Å; L308-R311 PolarHBondContact O-N 3.27Å; K309-R311 PolarHBondContact O-N 2.98Å; R311-L314 PolarHBondContact O-N 3.26Å; R311-R315 PolarHBondContact O-N 3.01Å; R311-R315 VanDerWaalsContact O-N 3.1Å; R311-I330 HydrophobicContact CB-CD1 4.26Å; R311-I330 HydrophobicContact CG-CD1 3.91Å; R311-E334 IonicContact CZ-OE1 3.96Å; R311-E334 IonicContact NH1-OE1 2.89Å; R311-E334 VanDerWaalsContact NH2-CD 3.35Å; R311-E334 IonicContact NH2-OE1 3.52Å; R311-E334 PolarHBondContact NH2-OE1 3.11Å; R311-E334 IonicContact NH2-OE2 3.59Å; R311-E334 PolarHBondContact NH2-OE2 2.96Å; R311-Q410 WeakPolarHBondContact CD-O 3.31Å; R311-Q410 PolarHBondContact NE-O 2.93Å; R311-A411 PolarHBondContact NH1-O 3.31Å; R311-A413 VanDerWaalsContact NH1-C 3.33Å; R311-A413 VanDerWaalsContact NH2-CB 3.26Å
312	L	90.6	Very high	87.2	Confident	5 Å²	5	30 Å²	30	3%	0.026	20%	0.197	C	C	.	.	H	α-helix	trans	-72.1	-30.9	178.1	-73.3	168.9	0	0	0	112.7	V252 L308 K309 T310 L314 R315 Y320 I323 C326	V252-L312 HydrophobicContact CG2-CD1 3.55Å; L308-L312 WeakPolarHBondContact O-CB 3.42Å; L308-L312 VanDerWaalsContact O-CG 3.29Å; L308-L312 WeakPolarHBondContact O-CG 2.85Å; L308-L312 PolarHBondContact O-N 2.61Å; K309-L312 PolarHBondContact O-N 3.05Å; T310-L312 PolarHBondContact O-N 3.31Å; L312-L314 VanDerWaalsContact C-N 3.35Å; L312-R315 WeakPolarHBondContact O-CD 3.41Å; L312-R315 WeakPolarHBondContact O-CG 3.25Å; L312-Y320 HydrophobicContact CD2-CD2 4.2Å; L312-I323 HydrophobicContact CD1-CB 4.32Å; L312-I323 HydrophobicContact CD1-CG1 3.79Å; L312-I323 HydrophobicContact CD1-CG2 4.43Å; L312-C326 HydrophobicContact CD2-CB 3.74Å; L312-C326 HydrophobicContact CG-CB 4.22Å
313	A	89.3	Confident	87.2	Confident	5 Å²	5	32.8 Å²	32.8	4%	0.041	21%	0.211	C	C	.	.	H	α-helix	trans	-66.7	-37.7	175	0	0	0	0	0	111.9	R213 V216 K309 T310	R213-A313 HydrophobicContact CG-CB 4.25Å; R213-A313 PolarHBondContact NE-O 3.07Å; V216-A313 HydrophobicContact CG1-CB 4.31Å; K309-A313 WeakPolarHBondContact O-CB 3.19Å; K309-A313 PolarHBondContact O-N 2.94Å; T310-A313 PolarHBondContact O-N 3.19Å
314	L	88.1	Confident	87.3	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.016	24%	0.239	C	C	.	.	S	Bend	trans	-88.6	-5.8	-179.3	-65	164.8	0	0	0	114	V216 M217 V220 Y221 T310 R311 L312 A411 V414	V216-L314 HydrophobicContact CG1-CD1 4.01Å; V216-L314 HydrophobicContact CG1-CD2 3.81Å; V216-L314 HydrophobicContact CG1-CG 3.74Å; M217-L314 HydrophobicContact CE-CD2 4.44Å; V220-L314 HydrophobicContact CB-CD1 4.43Å; V220-L314 HydrophobicContact CB-CD2 3.96Å; V220-L314 HydrophobicContact CG1-CD1 4.37Å; V220-L314 HydrophobicContact CG1-CD2 4.26Å; V220-L314 HydrophobicContact CG2-CD1 3.84Å; V220-L314 HydrophobicContact CG2-CD2 4.05Å; Y221-L314 HydrophobicContact CD2-CD2 4.13Å; Y221-L314 HydrophobicContact CE2-CD2 3.62Å; T310-L314 HydrophobicContact CG2-CD1 3.81Å; T310-L314 WeakPolarHBondContact O-CD1 3.3Å; T310-L314 WeakPolarHBondContact O-CG 3.43Å; T310-L314 PolarHBondContact O-N 3.43Å; T310-L314 VanDerWaalsContact O-N 3.12Å; R311-L314 PolarHBondContact O-N 3.26Å; L312-L314 VanDerWaalsContact C-N 3.35Å; L314-A411 HydrophobicContact CD1-CB 3.38Å; L314-V414 HydrophobicContact CB-CG1 4.48Å
315	R	84.8	Confident	87.2	Confident	55 Å²	55	37.6 Å²	37.6	21%	0.208	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-62.6	143.8	-176.2	81.4	-172.2	172.5	158.1	-2.4	111.9	R248 R311 L312 Q319 Y320	R248-R315 PolarHBondContact NH1-O 3Å; R311-R315 PolarHBondContact O-N 3.01Å; R311-R315 VanDerWaalsContact O-N 3.1Å; L312-R315 WeakPolarHBondContact O-CD 3.41Å; L312-R315 WeakPolarHBondContact O-CG 3.25Å; R315-Q319 HydrophobicContact CB-CB 4.46Å; R315-Y320 HydrophobicContact CB-CD2 3.75Å; R315-Y320 HydrophobicContact CB-CE2 4.05Å; R315-Y320 PolarHBondContact NH1-O 3.32Å
316	T	82.3	Confident	87.2	Confident	71 Å²	71	35.5 Å²	35.5	44%	0.436	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-78.7	159.2	168.4	56.2	0	0	0	0	111.3	E240 G318 Q319	E240-T316 WeakPolarHBondContact OE1-CA 3.42Å; T316-G318 PolarHBondContact O-N 3.2Å; T316-Q319 VanDerWaalsContact N-OE1 3.15Å; T316-Q319 WeakPolarHBondContact O-CB 3.47Å; T316-Q319 PolarHBondContact O-N 3.1Å
317	T	79.9	Confident	87.4	Confident	85 Å²	85	36.5 Å²	36.5	52%	0.521	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	120.9	175.9	-52.5	0	0	0	0	110.4	E240 R248	E240-T317 PolarHBondContact O-OG1 3.33Å; E240-T317 PolarHBondContact OE1-N 2.83Å; R248-T317 PolarHBondContact NH2-OG1 3.36Å
318	G	76.9	Confident	87.4	Confident	80 Å²	80	43.2 Å²	43.2	83%	0.825	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-4.5	177.5	0	0	0	0	0	116.4	T316 Y320	T316-G318 PolarHBondContact O-N 3.2Å; G318-Y320 PolarHBondContact O-N 3.29Å
319	Q	82.5	Confident	87.3	Confident	59 Å²	59	44.4 Å²	44.4	28%	0.276	28%	0.275	S	S	.	.	S	Bend	trans	-68.3	-34.7	-177.7	-172	178.9	9	0	0	114.2	R315 T316 Q329	R315-Q319 HydrophobicContact CB-CB 4.46Å; T316-Q319 VanDerWaalsContact N-OE1 3.15Å; T316-Q319 WeakPolarHBondContact O-CB 3.47Å; T316-Q319 PolarHBondContact O-N 3.1Å; Q319-Q329 PolarHBondContact O-NE2 2.97Å
320	Y	84.6	Confident	87.2	Confident	21 Å²	21	43.7 Å²	43.7	8%	0.082	27%	0.272	C	S	.	.			trans	-136.8	133.9	179.1	-56.9	-63.6	0	0	0	110.3	L312 R315 G318 G322 D325 C326 Q329	L312-Y320 HydrophobicContact CD2-CD2 4.2Å; R315-Y320 HydrophobicContact CB-CD2 3.75Å; R315-Y320 HydrophobicContact CB-CE2 4.05Å; R315-Y320 PolarHBondContact NH1-O 3.32Å; G318-Y320 PolarHBondContact O-N 3.29Å; Y320-G322 VanDerWaalsContact C-N 3.33Å; Y320-D325 WeakPolarHBondContact CA-OD2 3.16Å; Y320-C326 HydrophobicContact CD1-CB 3.91Å; Y320-C326 HydrophobicContact CD2-CB 4.16Å; Y320-C326 HydrophobicContact CE1-CB 4.34Å; Y320-C326 HydrophobicContact CG-CB 3.82Å; Y320-Q329 HydrophobicContact CD1-CB 4.45Å; Y320-Q329 HydrophobicContact CD1-CG 4.49Å; Y320-Q329 HydrophobicContact CE1-CB 3.93Å; Y320-Q329 HydrophobicContact CE1-CG 4.34Å
321	A	80.8	Confident	87.2	Confident	98 Å²	98	48.6 Å²	48.6	81%	0.81	29%	0.293	S	S	*	.	S	Bend	trans	-71	-28.9	175.6	0	0	0	0	0	112.4	D325	A321-D325 HydrophobicContact CB-CB 4.2Å; A321-D325 PolarHBondContact N-OD2 2.91Å
322	G	86.5	Confident	87.2	Confident	23 Å²	23	59 Å²	59	24%	0.237	33%	0.333	C	S	.	.	S	Bend	trans	-174.6	-169.8	-178.6	0	0	0	0	0	113.5	Y320 C326	Y320-G322 VanDerWaalsContact C-N 3.33Å; G322-C326 WeakPolarHBondContact O-CB 3.4Å; G322-C326 PolarHBondContact O-N 2.95Å
323	I	89.9	Confident	87	Confident	65 Å²	65	65.9 Å²	65.9	33%	0.333	36%	0.362	S	S	.	.	H	α-helix	trans	-65.1	-44.5	-179.2	-58.3	167.6	0	0	0	110.8	V252 I255 L312 C326 A327	V252-I323 HydrophobicContact CG2-CD1 3.72Å; V252-I323 HydrophobicContact CG2-CG1 3.77Å; V252-I323 HydrophobicContact CG2-CG2 3.94Å; I255-I323 HydrophobicContact CD1-CD1 3.96Å; L312-I323 HydrophobicContact CD1-CB 4.32Å; L312-I323 HydrophobicContact CD1-CG1 3.79Å; L312-I323 HydrophobicContact CD1-CG2 4.43Å; I323-C326 WeakPolarHBondContact O-CB 3.24Å; I323-C326 PolarHBondContact O-N 3.44Å; I323-A327 PolarHBondContact O-N 2.96Å
324	S	90.9	Very high	86.7	Confident	82 Å²	82	67.7 Å²	67.7	57%	0.573	37%	0.37	S	S	*	.	H	α-helix	trans	-67.4	-39.6	-179.6	56.8	0	0	0	0	112.7	A327 K328	S324-A327 PolarHBondContact O-N 3.48Å; S324-K328 WeakPolarHBondContact O-CB 3.34Å; S324-K328 VanDerWaalsContact O-CG 3.29Å; S324-K328 WeakPolarHBondContact O-CG 3.15Å; S324-K328 PolarHBondContact O-N 3.03Å
325	D	91.8	Very high	86.7	Confident	47 Å²	47	68.8 Å²	68.8	25%	0.251	38%	0.381	S	S	.	.	H	α-helix	trans	-64.6	-43.2	174.1	179	41.2	0	0	0	111.2	Y320 A321 A327 K328 Q329	Y320-D325 WeakPolarHBondContact CA-OD2 3.16Å; A321-D325 HydrophobicContact CB-CB 4.2Å; A321-D325 PolarHBondContact N-OD2 2.91Å; D325-A327 PolarHBondContact O-N 2.97Å; D325-K328 PolarHBondContact O-N 3.46Å; D325-Q329 WeakPolarHBondContact O-CB 3.1Å; D325-Q329 WeakPolarHBondContact O-CG 3.42Å; D325-Q329 PolarHBondContact O-N 3.48Å; D325-Q329 PolarHBondContact OD1-NE2 3.27Å; D325-Q329 PolarHBondContact OD2-NE2 3.47Å
326	C	89.6	Confident	86.9	Confident	0 Å²	0	72 Å²	72	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-58.1	-47.6	173.3	-171.6	0	0	0	0	111.8	L308 L312 Y320 G322 I323 K328 Q329 I330	L308-C326 HydrophobicContact CD2-CB 4.25Å; L312-C326 HydrophobicContact CD2-CB 3.74Å; L312-C326 HydrophobicContact CG-CB 4.22Å; Y320-C326 HydrophobicContact CD1-CB 3.91Å; Y320-C326 HydrophobicContact CD2-CB 4.16Å; Y320-C326 HydrophobicContact CE1-CB 4.34Å; Y320-C326 HydrophobicContact CG-CB 3.82Å; G322-C326 WeakPolarHBondContact O-CB 3.4Å; G322-C326 PolarHBondContact O-N 2.95Å; I323-C326 WeakPolarHBondContact O-CB 3.24Å; I323-C326 PolarHBondContact O-N 3.44Å; C326-K328 PolarHBondContact O-N 3.23Å; C326-Q329 PolarHBondContact O-N 3.31Å; C326-I330 VanDerWaalsContact O-CG1 3.24Å; C326-I330 WeakPolarHBondContact O-CG1 3.41Å; C326-I330 PolarHBondContact O-N 3.04Å
327	A	91.7	Very high	87	Confident	27 Å²	27	71.4 Å²	71.4	22%	0.223	41%	0.41	C	S	.	.	H	α-helix	trans	-60.3	-46.5	176.7	0	0	0	0	0	112.3	L308 I323 S324 D325 Q329 I330 F331 F339	L308-A327 HydrophobicContact CD1-CB 4.5Å; L308-A327 HydrophobicContact CD2-CB 3.82Å; I323-A327 PolarHBondContact O-N 2.96Å; S324-A327 PolarHBondContact O-N 3.48Å; D325-A327 PolarHBondContact O-N 2.97Å; A327-Q329 PolarHBondContact O-N 3.16Å; A327-I330 PolarHBondContact O-N 2.75Å; A327-F331 WeakPolarHBondContact O-CB 3.17Å; A327-F331 PolarHBondContact O-N 3.14Å; A327-F339 HydrophobicContact CB-CE1 4.47Å; A327-F339 HydrophobicContact CB-CZ 4.45Å
328	K	92.4	Very high	87.4	Confident	140 Å²	140	67.4 Å²	67.4	61%	0.609	39%	0.386	S	S	*	.	H	α-helix	trans	-61.4	-43	177.8	-75.2	174.8	-178.5	-179	0	111.8	S324 D325 C326 F331 R332	S324-K328 WeakPolarHBondContact O-CB 3.34Å; S324-K328 VanDerWaalsContact O-CG 3.29Å; S324-K328 WeakPolarHBondContact O-CG 3.15Å; S324-K328 PolarHBondContact O-N 3.03Å; D325-K328 PolarHBondContact O-N 3.46Å; C326-K328 PolarHBondContact O-N 3.23Å; K328-F331 PolarHBondContact O-N 3.23Å; K328-R332 WeakPolarHBondContact O-CB 3.33Å; K328-R332 VanDerWaalsContact O-CG 3.29Å; K328-R332 WeakPolarHBondContact O-CG 3.38Å; K328-R332 PolarHBondContact O-N 2.75Å
329	Q	89.4	Confident	88	Confident	42 Å²	42	64.6 Å²	64.6	20%	0.196	35%	0.351	C	S	.	.	H	α-helix	trans	-67.5	-42	178.7	-74.9	-167.7	49.7	0	0	112.4	Q319 Y320 D325 C326 A327 R332 K333	Q319-Q329 PolarHBondContact O-NE2 2.97Å; Y320-Q329 HydrophobicContact CD1-CB 4.45Å; Y320-Q329 HydrophobicContact CD1-CG 4.49Å; Y320-Q329 HydrophobicContact CE1-CB 3.93Å; Y320-Q329 HydrophobicContact CE1-CG 4.34Å; D325-Q329 WeakPolarHBondContact O-CB 3.1Å; D325-Q329 WeakPolarHBondContact O-CG 3.42Å; D325-Q329 PolarHBondContact O-N 3.48Å; D325-Q329 PolarHBondContact OD1-NE2 3.27Å; D325-Q329 PolarHBondContact OD2-NE2 3.47Å; C326-Q329 PolarHBondContact O-N 3.31Å; A327-Q329 PolarHBondContact O-N 3.16Å; Q329-R332 PolarHBondContact O-N 3.49Å; Q329-K333 VanDerWaalsContact O-CB 3.3Å; Q329-K333 WeakPolarHBondContact O-CB 3.32Å; Q329-K333 WeakPolarHBondContact O-CG 3.16Å; Q329-K333 PolarHBondContact O-N 3.25Å
330	I	89.4	Confident	88.4	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-60.3	-48.3	174.9	-68.5	165.8	0	0	0	109.8	L308 R311 C326 A327 R332 K333 E334 G335 A338 F339	L308-I330 HydrophobicContact CD2-CD1 4.27Å; R311-I330 HydrophobicContact CB-CD1 4.26Å; R311-I330 HydrophobicContact CG-CD1 3.91Å; C326-I330 VanDerWaalsContact O-CG1 3.24Å; C326-I330 WeakPolarHBondContact O-CG1 3.41Å; C326-I330 PolarHBondContact O-N 3.04Å; A327-I330 PolarHBondContact O-N 2.75Å; I330-R332 PolarHBondContact O-N 3.1Å; I330-K333 PolarHBondContact O-N 3.28Å; I330-E334 PolarHBondContact O-N 2.84Å; I330-G335 PolarHBondContact O-N 3.24Å; I330-A338 HydrophobicContact CG2-CB 3.65Å; I330-F339 HydrophobicContact CB-CE1 4.46Å; I330-F339 HydrophobicContact CB-CE2 4.41Å; I330-F339 HydrophobicContact CB-CZ 3.98Å; I330-F339 HydrophobicContact CG2-CD2 4.25Å; I330-F339 HydrophobicContact CG2-CE1 4.15Å; I330-F339 HydrophobicContact CG2-CE2 3.79Å; I330-F339 HydrophobicContact CG2-CZ 3.74Å
331	F	90.9	Very high	88.6	Confident	110 Å²	110	67 Å²	67	48%	0.482	36%	0.359	S	S	.	.	H	α-helix	trans	-59.9	-43.5	179.1	-178	-97.9	0	0	0	112.3	A327 K328 G335 L336 F339	A327-F331 WeakPolarHBondContact O-CB 3.17Å; A327-F331 PolarHBondContact O-N 3.14Å; K328-F331 PolarHBondContact O-N 3.23Å; F331-G335 VanDerWaalsContact O-CA 3.3Å; F331-G335 WeakPolarHBondContact O-CA 3.27Å; F331-G335 PolarHBondContact O-N 3.48Å; F331-G335 VanDerWaalsContact O-N 3.15Å; F331-L336 HydrophobicContact CD2-CD2 3.78Å; F331-L336 HydrophobicContact CD2-CG 4.14Å; F331-L336 HydrophobicContact CE2-CD1 4.4Å; F331-L336 HydrophobicContact CE2-CD2 3.55Å; F331-L336 HydrophobicContact CE2-CG 3.67Å; F331-F339 HydrophobicContact CB-CE2 4.11Å; F331-F339 HydrophobicContact CB-CZ 4.41Å; F331-F339 HydrophobicContact CD2-CE2 4.45Å
332	R	88.6	Confident	88.9	Confident	220 Å²	220	62.5 Å²	62.5	83%	0.83	32%	0.322	S	S	*	.	H	α-helix	trans	-73.1	-33.8	-179.6	-70.1	179.6	85	172.1	7.2	113.9	K328 Q329 I330	K328-R332 WeakPolarHBondContact O-CB 3.33Å; K328-R332 VanDerWaalsContact O-CG 3.29Å; K328-R332 WeakPolarHBondContact O-CG 3.38Å; K328-R332 PolarHBondContact O-N 2.75Å; Q329-R332 PolarHBondContact O-N 3.49Å; I330-R332 PolarHBondContact O-N 3.1Å
333	K	86.4	Confident	89.1	Confident	149 Å²	149	64.3 Å²	64.3	65%	0.648	32%	0.321	S	S	*	.	H	α-helix	trans	-91.5	-38.1	-175.1	-69.1	175.8	176.5	169.4	0	113.3	Q329 I330	Q329-K333 VanDerWaalsContact O-CB 3.3Å; Q329-K333 WeakPolarHBondContact O-CB 3.32Å; Q329-K333 WeakPolarHBondContact O-CG 3.16Å; Q329-K333 PolarHBondContact O-N 3.25Å; I330-K333 PolarHBondContact O-N 3.28Å
334	E	83.9	Confident	89.1	Confident	43 Å²	43	65.4 Å²	65.4	20%	0.201	33%	0.331	C	S	.	.	H	α-helix	trans	-120.2	-12	-171.1	-58	-176.8	-122.4	0	0	113.8	R311 I330 A338 K341 A413	R311-E334 IonicContact CZ-OE1 3.96Å; R311-E334 IonicContact NH1-OE1 2.89Å; R311-E334 VanDerWaalsContact NH2-CD 3.35Å; R311-E334 IonicContact NH2-OE1 3.52Å; R311-E334 PolarHBondContact NH2-OE1 3.11Å; R311-E334 IonicContact NH2-OE2 3.59Å; R311-E334 PolarHBondContact NH2-OE2 2.96Å; I330-E334 PolarHBondContact O-N 2.84Å; E334-A338 HydrophobicContact CB-CB 3.43Å; E334-A338 VanDerWaalsContact CB-CB 3.43Å; E334-A338 HydrophobicContact CG-CB 4.35Å; E334-K341 IonicContact OE2-NZ 3.92Å; E334-K341 PolarHBondContact OE2-NZ 3.18Å; E334-A413 HydrophobicContact CG-CB 4.23Å; E334-A413 WeakPolarHBondContact OE1-CB 3.48Å; E334-A413 WeakPolarHBondContact OE2-CB 3.14Å
335	G	87.4	Confident	89.1	Confident	25 Å²	25	61.6 Å²	61.6	26%	0.258	30%	0.304	S	S	.	.			trans	77.5	-172.7	-178.8	0	0	0	0	0	114.6	I330 F331 G337 A338	I330-G335 PolarHBondContact O-N 3.24Å; F331-G335 VanDerWaalsContact O-CA 3.3Å; F331-G335 WeakPolarHBondContact O-CA 3.27Å; F331-G335 PolarHBondContact O-N 3.48Å; F331-G335 VanDerWaalsContact O-N 3.15Å; G335-G337 PolarHBondContact O-N 3.04Å; G335-A338 WeakPolarHBondContact O-CB 3.4Å; G335-A338 PolarHBondContact O-N 3.1Å
336	L	88	Confident	88.9	Confident	123 Å²	123	59.8 Å²	59.8	64%	0.644	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-66	-35.1	-176.5	-75.7	171.9	0	0	0	113.6	F331 A338 F339	F331-L336 HydrophobicContact CD2-CD2 3.78Å; F331-L336 HydrophobicContact CD2-CG 4.14Å; F331-L336 HydrophobicContact CE2-CD1 4.4Å; F331-L336 HydrophobicContact CE2-CD2 3.55Å; F331-L336 HydrophobicContact CE2-CG 3.67Å; L336-A338 PolarHBondContact O-N 3.24Å; L336-A338 VanDerWaalsContact O-N 3.12Å; L336-F339 PolarHBondContact O-N 3.32Å
337	G	86.3	Confident	88.8	Confident	58 Å²	58	61.4 Å²	61.4	60%	0.598	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-61.3	-22.7	-179.5	0	0	0	0	0	113.6	G335 F339 Y340 K341	G335-G337 PolarHBondContact O-N 3.04Å; G337-F339 VanDerWaalsContact C-N 3.3Å; G337-F339 PolarHBondContact O-N 3.26Å; G337-Y340 PolarHBondContact O-N 2.88Å; G337-K341 PolarHBondContact O-N 2.71Å
338	A	87.2	Confident	88.6	Confident	1 Å²	1	64 Å²	64	1%	0.008	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-63.6	-33.9	178.2	0	0	0	0	0	113.3	I330 E334 G335 L336 Y340 K341	I330-A338 HydrophobicContact CG2-CB 3.65Å; E334-A338 HydrophobicContact CB-CB 3.43Å; E334-A338 VanDerWaalsContact CB-CB 3.43Å; E334-A338 HydrophobicContact CG-CB 4.35Å; G335-A338 WeakPolarHBondContact O-CB 3.4Å; G335-A338 PolarHBondContact O-N 3.1Å; L336-A338 PolarHBondContact O-N 3.24Å; L336-A338 VanDerWaalsContact O-N 3.12Å; A338-Y340 PolarHBondContact O-N 3.36Å; A338-K341 PolarHBondContact O-N 3.01Å
339	F	89.9	Confident	88.3	Confident	22 Å²	22	57.8 Å²	57.8	10%	0.096	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-70.6	-13.7	179	-68.5	-82.8	0	0	0	113.3	Y303 P304 V307 L308 A327 I330 F331 L336 G337	Y303-F339 VanDerWaalsContact CD1-O 3.25Å; Y303-F339 WeakPolarHBondContact CD1-O 3.11Å; P304-F339 HydrophobicContact CB-CB 3.98Å; P304-F339 HydrophobicContact CB-CD1 3.99Å; P304-F339 HydrophobicContact CB-CG 4.34Å; P304-F339 HydrophobicContact CG-CB 4.27Å; V307-F339 WeakPolarHBondContact CG2-O 3.17Å; L308-F339 HydrophobicContact CD1-CD1 4.44Å; L308-F339 HydrophobicContact CD1-CE1 4.09Å; L308-F339 HydrophobicContact CG-CE1 4.19Å; A327-F339 HydrophobicContact CB-CE1 4.47Å; A327-F339 HydrophobicContact CB-CZ 4.45Å; I330-F339 HydrophobicContact CB-CE1 4.46Å; I330-F339 HydrophobicContact CB-CE2 4.41Å; I330-F339 HydrophobicContact CB-CZ 3.98Å; I330-F339 HydrophobicContact CG2-CD2 4.25Å; I330-F339 HydrophobicContact CG2-CE1 4.15Å; I330-F339 HydrophobicContact CG2-CE2 3.79Å; I330-F339 HydrophobicContact CG2-CZ 3.74Å; F331-F339 HydrophobicContact CB-CE2 4.11Å; F331-F339 HydrophobicContact CB-CZ 4.41Å; F331-F339 HydrophobicContact CD2-CE2 4.45Å; L336-F339 PolarHBondContact O-N 3.32Å; G337-F339 VanDerWaalsContact C-N 3.3Å; G337-F339 PolarHBondContact O-N 3.26Å
340	Y	91.3	Very high	87.9	Confident	112 Å²	112	59.1 Å²	59.1	44%	0.439	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-111.7	10.9	178.2	-71	-89.1	0	0	0	113.2	S300 Y303 P304 G337 A338 G342 Y343	S300-Y340 WeakPolarHBondContact O-CE1 3.45Å; S300-Y340 PolarHBondContact O-OH 2.93Å; Y303-Y340 HydrophobicContact CD1-CD1 4.02Å; Y303-Y340 HydrophobicContact CD1-CG 4.46Å; Y303-Y340 HydrophobicContact CG-CD1 4.47Å; P304-Y340 HydrophobicContact CG-CE2 4.02Å; G337-Y340 PolarHBondContact O-N 2.88Å; A338-Y340 PolarHBondContact O-N 3.36Å; Y340-G342 PolarHBondContact O-N 3.39Å; Y340-Y343 WeakPolarHBondContact O-CB 3.24Å; Y340-Y343 PolarHBondContact O-N 2.64Å; Y340-Y343 VanDerWaalsContact O-N 3.1Å
341	K	88.3	Confident	87.4	Confident	19 Å²	19	65 Å²	65	8%	0.083	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	129.7	175.7	-79.1	-177.7	178.4	174.4	0	111.3	Y303 E334 G337 A338 Q410	Y303-K341 VanDerWaalsContact CE1-O 3.3Å; Y303-K341 WeakPolarHBondContact CE1-O 3.47Å; Y303-K341 PolarHBondContact OH-O 3.49Å; E334-K341 IonicContact OE2-NZ 3.92Å; E334-K341 PolarHBondContact OE2-NZ 3.18Å; G337-K341 PolarHBondContact O-N 2.71Å; A338-K341 PolarHBondContact O-N 3.01Å; K341-Q410 VanDerWaalsContact O-CG 3.28Å; K341-Q410 WeakPolarHBondContact O-CG 3.45Å
342	G	87.8	Confident	87	Confident	3 Å²	3	62 Å²	62	3%	0.031	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	4.1	-176.6	0	0	0	0	0	114.8	Y303 Y340 V344 P345 N346	Y303-G342 VanDerWaalsContact OH-CA 3.3Å; Y303-G342 WeakPolarHBondContact OH-CA 3.35Å; Y303-G342 PolarHBondContact OH-O 3.47Å; Y303-G342 VanDerWaalsContact OH-O 3.14Å; Y340-G342 PolarHBondContact O-N 3.39Å; G342-V344 VanDerWaalsContact C-N 3.34Å; G342-V344 PolarHBondContact O-N 3.42Å; G342-P345 VanDerWaalsContact O-CD 3.25Å; G342-P345 WeakPolarHBondContact O-CD 3.14Å; G342-P345 VanDerWaalsContact O-CG 3.25Å; G342-P345 WeakPolarHBondContact O-CG 2.86Å; G342-N346 WeakPolarHBondContact O-CB 3.41Å; G342-N346 PolarHBondContact O-N 2.95Å
343	Y	89.9	Confident	86.7	Confident	60 Å²	60	53.5 Å²	53.5	24%	0.235	29%	0.286	C	S	.	.	H	α-helix	trans	-61.6	-42.3	-179.6	179.3	-98.8	0	0	0	112.2	S300 Y303 Y340 N346 M347	S300-Y343 PolarHBondContact OG-OH 2.75Å; Y303-Y343 HydrophobicContact CD1-CD2 4.28Å; Y303-Y343 AromaticContact CD2-CD2 3.72Å; Y303-Y343 HydrophobicContact CD2-CD2 3.72Å; Y303-Y343 HydrophobicContact CE2-CD2 4.1Å; Y303-Y343 AromaticContact CG-CD2 3.84Å; Y303-Y343 HydrophobicContact CG-CD2 3.84Å; Y303-Y343 PolarHBondContact OH-N 3.21Å; Y303-Y343 VanDerWaalsContact OH-N 3.09Å; Y340-Y343 WeakPolarHBondContact O-CB 3.24Å; Y340-Y343 PolarHBondContact O-N 2.64Å; Y340-Y343 VanDerWaalsContact O-N 3.1Å; Y343-N346 VanDerWaalsContact O-CB 3.3Å; Y343-N346 WeakPolarHBondContact O-CB 3.09Å; Y343-N346 PolarHBondContact O-N 3.29Å; Y343-M347 HydrophobicContact CD1-CG 4.09Å; Y343-M347 HydrophobicContact CD2-CG 4.48Å; Y343-M347 HydrophobicContact CE1-CG 3.6Å; Y343-M347 HydrophobicContact CE1-SD 4.41Å; Y343-M347 HydrophobicContact CE2-CE 3.93Å; Y343-M347 HydrophobicContact CE2-CG 4.03Å; Y343-M347 HydrophobicContact CE2-SD 4.1Å; Y343-M347 WeakPolarHBondContact O-CG 3.45Å; Y343-M347 PolarHBondContact O-N 3.27Å
344	V	90.4	Very high	86.2	Confident	88 Å²	88	48.5 Å²	48.5	53%	0.533	27%	0.272	S	S	.	.	H	α-helix	trans	-60	-55.7	177.3	177.3	0	0	0	0	112.4	G342 N346 M347 L348 M424	G342-V344 VanDerWaalsContact C-N 3.34Å; G342-V344 PolarHBondContact O-N 3.42Å; V344-N346 PolarHBondContact O-N 3.04Å; V344-M347 PolarHBondContact O-N 2.93Å; V344-L348 HydrophobicContact CG1-CD1 3.91Å; V344-L348 HydrophobicContact CG1-CG 4.36Å; V344-L348 WeakPolarHBondContact O-CG 3.38Å; V344-L348 PolarHBondContact O-N 3.2Å; V344-M424 HydrophobicContact CG1-SD 4.22Å
345	P	89.8	Confident	85.9	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.013	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-27.1	176.4	22.1	-31.8	0	0	0	112.9	G342 G349 L402 V405 R406 M409 M424	G342-P345 VanDerWaalsContact O-CD 3.25Å; G342-P345 WeakPolarHBondContact O-CD 3.14Å; G342-P345 VanDerWaalsContact O-CG 3.25Å; G342-P345 WeakPolarHBondContact O-CG 2.86Å; P345-G349 PolarHBondContact O-N 3.06Å; P345-L402 HydrophobicContact CB-CD2 4.46Å; P345-V405 HydrophobicContact CB-CG1 4.22Å; P345-V405 HydrophobicContact CG-CG1 4.29Å; P345-R406 HydrophobicContact CB-CB 4.44Å; P345-R406 HydrophobicContact CG-CB 4.28Å; P345-M409 HydrophobicContact CG-SD 3.82Å; P345-M424 HydrophobicContact CB-CG 4.2Å; P345-M424 HydrophobicContact CB-SD 3.92Å; P345-M424 HydrophobicContact CG-CG 4.28Å; P345-M424 HydrophobicContact CG-SD 4.33Å
346	N	89.1	Confident	85.8	Confident	10 Å²	10	50 Å²	50	5%	0.053	29%	0.285	C	S	.	.	H	α-helix	trans	-62.4	-52.6	171.6	-171.1	61.2	0	0	0	111.7	Y303 G342 Y343 V344 G349 I350 R406	Y303-N346 HydrophobicContact CE2-CB 3.96Å; G342-N346 WeakPolarHBondContact O-CB 3.41Å; G342-N346 PolarHBondContact O-N 2.95Å; Y343-N346 VanDerWaalsContact O-CB 3.3Å; Y343-N346 WeakPolarHBondContact O-CB 3.09Å; Y343-N346 PolarHBondContact O-N 3.29Å; V344-N346 PolarHBondContact O-N 3.04Å; N346-G349 PolarHBondContact O-N 2.68Å; N346-G349 VanDerWaalsContact O-N 3.14Å; N346-I350 WeakPolarHBondContact O-CG1 3.27Å; N346-I350 PolarHBondContact O-N 3.14Å; N346-I350 VanDerWaalsContact O-N 3.14Å; N346-R406 HydrophobicContact CB-CG 4.19Å; N346-R406 WeakPolarHBondContact OD1-CD 3.28Å; N346-R406 PolarHBondContact OD1-NH1 2.89Å
347	M	86.6	Confident	85.4	Confident	34 Å²	34	45.8 Å²	45.8	17%	0.167	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-44.3	179.4	-68	-62.5	100.7	0	0	111.9	V296 Q299 Y343 V344 G349 I350	V296-M347 HydrophobicContact CG1-SD 4.47Å; V296-M347 HydrophobicContact CG2-SD 4.49Å; Q299-M347 HydrophobicContact CB-CE 4.25Å; Q299-M347 HydrophobicContact CG-CE 3.57Å; Y343-M347 HydrophobicContact CD1-CG 4.09Å; Y343-M347 HydrophobicContact CD2-CG 4.48Å; Y343-M347 HydrophobicContact CE1-CG 3.6Å; Y343-M347 HydrophobicContact CE1-SD 4.41Å; Y343-M347 HydrophobicContact CE2-CE 3.93Å; Y343-M347 HydrophobicContact CE2-CG 4.03Å; Y343-M347 HydrophobicContact CE2-SD 4.1Å; Y343-M347 WeakPolarHBondContact O-CG 3.45Å; Y343-M347 PolarHBondContact O-N 3.27Å; V344-M347 PolarHBondContact O-N 2.93Å; M347-G349 PolarHBondContact O-N 2.9Å; M347-I350 HydrophobicContact CE-CD1 3.53Å; M347-I350 PolarHBondContact O-N 2.87Å
348	L	88.3	Confident	85	Confident	82 Å²	82	46.9 Å²	46.9	43%	0.429	26%	0.255	S	S	.	.	H	α-helix	trans	-64.7	-24.6	176.2	-68.9	178	0	0	0	112.8	V344 P352 L402 M424	V344-L348 HydrophobicContact CG1-CD1 3.91Å; V344-L348 HydrophobicContact CG1-CG 4.36Å; V344-L348 WeakPolarHBondContact O-CG 3.38Å; V344-L348 PolarHBondContact O-N 3.2Å; L348-P352 WeakPolarHBondContact O-CD 3.21Å; L348-P352 VanDerWaalsContact O-CG 3.3Å; L348-P352 WeakPolarHBondContact O-CG 3.34Å; L348-L402 HydrophobicContact CB-CD1 4.09Å; L348-L402 WeakPolarHBondContact O-CD1 3.22Å; L348-M424 HydrophobicContact CD1-CE 4.22Å; L348-M424 HydrophobicContact CD1-SD 4.11Å
349	G	84.8	Confident	84.7	Confident	9 Å²	9	49.2 Å²	49.2	9%	0.093	27%	0.274	C	S	.	.	H	α-helix	trans	-81.2	-32.4	177.6	0	0	0	0	0	113.7	P345 N346 M347 P352 Y353 S399	P345-G349 PolarHBondContact O-N 3.06Å; N346-G349 PolarHBondContact O-N 2.68Å; N346-G349 VanDerWaalsContact O-N 3.14Å; M347-G349 PolarHBondContact O-N 2.9Å; G349-P352 WeakPolarHBondContact O-CD 3.28Å; G349-Y353 WeakPolarHBondContact O-CB 3.26Å; G349-Y353 PolarHBondContact O-N 3.41Å; G349-S399 WeakPolarHBondContact O-CB 3.41Å
350	I	81.3	Confident	84.5	Confident	70 Å²	70	50 Å²	50	36%	0.359	28%	0.281	S	S	.	.	H	α-helix	trans	-66.2	-40.7	-179.6	-68.8	165.5	0	0	0	111.4	N346 M347 Y353 A354	N346-I350 WeakPolarHBondContact O-CG1 3.27Å; N346-I350 PolarHBondContact O-N 3.14Å; N346-I350 VanDerWaalsContact O-N 3.14Å; M347-I350 HydrophobicContact CE-CD1 3.53Å; M347-I350 PolarHBondContact O-N 2.87Å; I350-Y353 WeakPolarHBondContact O-CB 3.41Å; I350-Y353 PolarHBondContact O-N 2.63Å; I350-A354 WeakPolarHBondContact O-CB 3.1Å; I350-A354 PolarHBondContact O-N 3.32Å
351	I	79.4	Confident	84.1	Confident	124 Å²	124	47.1 Å²	47.1	64%	0.636	27%	0.27	S	S	*	.	H	α-helix	trans	-63.6	-52.6	-175.6	-62.2	165.7	0	0	0	111.8	Y353 A354 G355	I351-Y353 VanDerWaalsContact C-N 3.31Å; I351-Y353 PolarHBondContact O-N 3.43Å; I351-A354 PolarHBondContact O-N 3.39Å; I351-G355 PolarHBondContact O-N 3.3Å
352	P	81.4	Confident	83.6	Confident	49 Å²	49	50.9 Å²	50.9	32%	0.318	29%	0.287	S	S	.	.	H	α-helix	trans	-63.8	-35.8	175.5	-21.5	33	0	0	0	112.8	L348 G349 I356	L348-P352 WeakPolarHBondContact O-CD 3.21Å; L348-P352 VanDerWaalsContact O-CG 3.3Å; L348-P352 WeakPolarHBondContact O-CG 3.34Å; G349-P352 WeakPolarHBondContact O-CD 3.28Å; P352-I356 HydrophobicContact CB-CD1 4.48Å; P352-I356 VanDerWaalsContact O-CB 3.27Å; P352-I356 WeakPolarHBondContact O-CB 3.43Å; P352-I356 WeakPolarHBondContact O-CD1 3.24Å; P352-I356 VanDerWaalsContact O-CG1 3.23Å; P352-I356 WeakPolarHBondContact O-CG1 3.44Å; P352-I356 PolarHBondContact O-N 2.88Å
353	Y	82.6	Confident	83.6	Confident	41 Å²	41	55.6 Å²	55.6	16%	0.161	32%	0.316	C	S	.	.	H	α-helix	trans	-56.8	-57.8	176.1	176	-101.1	0	0	0	110.7	D169 G349 I350 I351 G355 I356 D357 Q396	D169-Y353 PolarHBondContact OD1-OH 2.63Å; G349-Y353 WeakPolarHBondContact O-CB 3.26Å; G349-Y353 PolarHBondContact O-N 3.41Å; I350-Y353 WeakPolarHBondContact O-CB 3.41Å; I350-Y353 PolarHBondContact O-N 2.63Å; I351-Y353 VanDerWaalsContact C-N 3.31Å; I351-Y353 PolarHBondContact O-N 3.43Å; Y353-G355 PolarHBondContact O-N 3.02Å; Y353-I356 PolarHBondContact O-N 2.96Å; Y353-D357 WeakPolarHBondContact O-CB 3.19Å; Y353-D357 PolarHBondContact O-N 2.89Å; Y353-Q396 HydrophobicContact CE2-CB 4.15Å
354	A	76.8	Confident	83.3	Confident	43 Å²	43	56 Å²	56	36%	0.355	32%	0.322	S	S	.	.	H	α-helix	trans	-65	-40.7	-177.8	0	0	0	0	0	112.4	I350 I351 L358	I350-A354 WeakPolarHBondContact O-CB 3.1Å; I350-A354 PolarHBondContact O-N 3.32Å; I351-A354 PolarHBondContact O-N 3.39Å; A354-L358 WeakPolarHBondContact O-CB 3.4Å; A354-L358 PolarHBondContact O-N 2.9Å
355	G	78.1	Confident	82.9	Confident	43 Å²	43	55.1 Å²	55.1	44%	0.443	31%	0.311	S	S	.	.	H	α-helix	trans	-64.7	-43.4	179.4	0	0	0	0	0	113	I351 Y353 A359	I351-G355 PolarHBondContact O-N 3.3Å; Y353-G355 PolarHBondContact O-N 3.02Å; G355-A359 WeakPolarHBondContact O-CB 3.41Å; G355-A359 PolarHBondContact O-N 3.2Å
356	I	83.6	Confident	82.5	Confident	58 Å²	58	59.5 Å²	59.5	30%	0.297	33%	0.334	S	S	.	.	H	α-helix	trans	-73.2	-41.6	178.9	-67.4	168.2	0	0	0	110.7	P352 Y353 A359 V360 C394 A398	P352-I356 HydrophobicContact CB-CD1 4.48Å; P352-I356 VanDerWaalsContact O-CB 3.27Å; P352-I356 WeakPolarHBondContact O-CB 3.43Å; P352-I356 WeakPolarHBondContact O-CD1 3.24Å; P352-I356 VanDerWaalsContact O-CG1 3.23Å; P352-I356 WeakPolarHBondContact O-CG1 3.44Å; P352-I356 PolarHBondContact O-N 2.88Å; Y353-I356 PolarHBondContact O-N 2.96Å; I356-A359 PolarHBondContact O-N 2.94Å; I356-V360 HydrophobicContact CG2-CG2 3.96Å; I356-V360 VanDerWaalsContact O-CB 3.28Å; I356-V360 WeakPolarHBondContact O-CB 3.15Å; I356-V360 WeakPolarHBondContact O-CG2 3.49Å; I356-V360 PolarHBondContact O-N 3.49Å; I356-C394 HydrophobicContact CG2-CB 4.17Å; I356-A398 HydrophobicContact CD1-CB 3.24Å
357	D	80.5	Confident	82.3	Confident	33 Å²	33	60.6 Å²	60.6	18%	0.176	35%	0.348	C	S	.	.	H	α-helix	trans	-57.6	-51.1	175.9	-178.1	51.5	0	0	0	110.7	Y353 A359 Y361 S391 S392	Y353-D357 WeakPolarHBondContact O-CB 3.19Å; Y353-D357 PolarHBondContact O-N 2.89Å; D357-A359 PolarHBondContact O-N 3.25Å; D357-Y361 WeakPolarHBondContact O-CB 3.23Å; D357-Y361 PolarHBondContact O-N 3.44Å; D357-S391 VanDerWaalsContact O-CB 3.26Å; D357-S391 WeakPolarHBondContact O-CB 3.24Å; D357-S391 VanDerWaalsContact OD1-CB 3.24Å; D357-S391 WeakPolarHBondContact OD1-CB 3.3Å; D357-S391 PolarHBondContact OD1-OG 2.96Å; D357-S392 WeakPolarHBondContact OD1-CA 3.36Å; D357-S392 PolarHBondContact OD1-N 2.81Å; D357-S392 PolarHBondContact OD1-OG 3.05Å
358	L	77.9	Confident	82.1	Confident	81 Å²	81	62.8 Å²	62.8	42%	0.424	36%	0.355	S	S	.	.	H	α-helix	trans	-62	-48.6	178	-174.3	66.1	0	0	0	112.3	A354 V360 Y361 E362	A354-L358 WeakPolarHBondContact O-CB 3.4Å; A354-L358 PolarHBondContact O-N 2.9Å; L358-V360 PolarHBondContact O-N 2.89Å; L358-Y361 PolarHBondContact O-N 3.04Å; L358-E362 HydrophobicContact CD1-CG 4.22Å; L358-E362 WeakPolarHBondContact O-CB 3.42Å; L358-E362 WeakPolarHBondContact O-CG 3.39Å; L358-E362 PolarHBondContact O-N 3.38Å
359	A	81.4	Confident	81.8	Confident	50 Å²	50	61.3 Å²	61.3	41%	0.413	35%	0.347	S	S	.	.	H	α-helix	trans	-62.9	-43.3	-177.5	0	0	0	0	0	112.4	G355 I356 D357 T363	G355-A359 WeakPolarHBondContact O-CB 3.41Å; G355-A359 PolarHBondContact O-N 3.2Å; I356-A359 PolarHBondContact O-N 2.94Å; D357-A359 PolarHBondContact O-N 3.25Å; A359-T363 VanDerWaalsContact O-CB 3.27Å; A359-T363 WeakPolarHBondContact O-CB 3.27Å; A359-T363 PolarHBondContact O-N 3.47Å; A359-T363 PolarHBondContact O-OG1 2.96Å
360	V	85.7	Confident	81.6	Confident	38 Å²	38	69.3 Å²	69.3	23%	0.23	38%	0.382	C	S	.	.	H	α-helix	trans	-69.5	-42.6	178.5	174.4	0	0	0	0	110.3	I356 L358 T363 L364 V390 C394	I356-V360 HydrophobicContact CG2-CG2 3.96Å; I356-V360 VanDerWaalsContact O-CB 3.28Å; I356-V360 WeakPolarHBondContact O-CB 3.15Å; I356-V360 WeakPolarHBondContact O-CG2 3.49Å; I356-V360 PolarHBondContact O-N 3.49Å; L358-V360 PolarHBondContact O-N 2.89Å; V360-T363 PolarHBondContact O-N 3.06Å; V360-L364 HydrophobicContact CG1-CD1 3.67Å; V360-L364 HydrophobicContact CG1-CG 4.18Å; V360-L364 WeakPolarHBondContact O-CB 3.37Å; V360-L364 VanDerWaalsContact O-CG 3.23Å; V360-L364 WeakPolarHBondContact O-CG 3.31Å; V360-L364 PolarHBondContact O-N 2.93Å; V360-V390 HydrophobicContact CG1-CG1 4.5Å; V360-C394 HydrophobicContact CG2-CB 4.34Å
361	Y	81.6	Confident	81.4	Confident	53 Å²	53	73.2 Å²	73.2	21%	0.208	40%	0.398	C	S	.	.	H	α-helix	trans	-59.3	-50.9	177.5	177.9	-102.3	0	0	0	111.7	D357 L358 T363 L364 K365 L384 C387	D357-Y361 WeakPolarHBondContact O-CB 3.23Å; D357-Y361 PolarHBondContact O-N 3.44Å; L358-Y361 PolarHBondContact O-N 3.04Å; Y361-T363 PolarHBondContact O-N 3.34Å; Y361-L364 PolarHBondContact O-N 2.91Å; Y361-K365 HydrophobicContact CE1-CD 4.13Å; Y361-K365 WeakPolarHBondContact O-CB 3.47Å; Y361-K365 PolarHBondContact O-N 3.14Å; Y361-L384 WeakPolarHBondContact OH-CD2 3.43Å; Y361-C387 HydrophobicContact CD2-CB 3.97Å; Y361-C387 HydrophobicContact CE2-CB 4.08Å
362	E	79	Confident	81.1	Confident	97 Å²	97	73.9 Å²	73.9	45%	0.453	39%	0.394	S	S	.	.	H	α-helix	trans	-63.8	-41.6	179.2	-73	-174.2	172.7	0	0	111.9	L358 K365 N366	L358-E362 HydrophobicContact CD1-CG 4.22Å; L358-E362 WeakPolarHBondContact O-CB 3.42Å; L358-E362 WeakPolarHBondContact O-CG 3.39Å; L358-E362 PolarHBondContact O-N 3.38Å; E362-K365 PolarHBondContact O-N 2.89Å; E362-N366 WeakPolarHBondContact O-CB 3.11Å; E362-N366 PolarHBondContact O-N 3.43Å; E362-N366 PolarHBondContact O-ND2 3.07Å
363	T	87.3	Confident	80.1	Confident	102 Å²	102	73.3 Å²	73.3	63%	0.626	40%	0.396	S	S	*	.	H	α-helix	trans	-62.6	-46.2	178	-58.3	0	0	0	0	111.4	A359 V360 Y361 G367	A359-T363 VanDerWaalsContact O-CB 3.27Å; A359-T363 WeakPolarHBondContact O-CB 3.27Å; A359-T363 PolarHBondContact O-N 3.47Å; A359-T363 PolarHBondContact O-OG1 2.96Å; V360-T363 PolarHBondContact O-N 3.06Å; Y361-T363 PolarHBondContact O-N 3.34Å; T363-G367 PolarHBondContact O-N 3.05Å
364	L	84.4	Confident	78.8	Confident	69 Å²	69	76 Å²	76	36%	0.361	43%	0.428	S	S	.	.	H	α-helix	trans	-66.8	-43.7	179.1	-70.1	174	0	0	0	111.7	V360 Y361 Y368 C387 V390	V360-L364 HydrophobicContact CG1-CD1 3.67Å; V360-L364 HydrophobicContact CG1-CG 4.18Å; V360-L364 WeakPolarHBondContact O-CB 3.37Å; V360-L364 VanDerWaalsContact O-CG 3.23Å; V360-L364 WeakPolarHBondContact O-CG 3.31Å; V360-L364 PolarHBondContact O-N 2.93Å; Y361-L364 PolarHBondContact O-N 2.91Å; L364-Y368 WeakPolarHBondContact O-CB 3.48Å; L364-Y368 PolarHBondContact O-N 3.42Å; L364-C387 HydrophobicContact CB-CB 4.25Å; L364-V390 HydrophobicContact CD1-CB 4Å; L364-V390 HydrophobicContact CD1-CG1 3.75Å
365	K	80.4	Confident	77.6	Confident	70 Å²	70	81.3 Å²	81.3	30%	0.304	45%	0.45	S	S	.	.	H	α-helix	trans	-62.8	-49.4	178.2	-178.5	-179.2	173.8	-179.6	0	111.3	Y361 E362 Y368 L369	Y361-K365 HydrophobicContact CE1-CD 4.13Å; Y361-K365 WeakPolarHBondContact O-CB 3.47Å; Y361-K365 PolarHBondContact O-N 3.14Å; E362-K365 PolarHBondContact O-N 2.89Å; K365-Y368 PolarHBondContact O-N 3.12Å; K365-L369 HydrophobicContact CG-CD1 4.09Å; K365-L369 WeakPolarHBondContact O-CG 3.39Å; K365-L369 PolarHBondContact O-N 2.72Å
366	N	81.7	Confident	76.3	Confident	94 Å²	94	83 Å²	83	50%	0.503	46%	0.455	S	S	.	.	H	α-helix	trans	-67.7	-39.2	-178.6	-68.1	-20.9	0	0	0	111.6	E362 L369 Q370	E362-N366 WeakPolarHBondContact O-CB 3.11Å; E362-N366 PolarHBondContact O-N 3.43Å; E362-N366 PolarHBondContact O-ND2 3.07Å; N366-L369 PolarHBondContact O-N 2.86Å; N366-Q370 WeakPolarHBondContact O-CB 3.43Å; N366-Q370 PolarHBondContact O-N 2.93Å
367	G	85.3	Confident	75	Confident	33 Å²	33	86.3 Å²	86.3	34%	0.34	48%	0.478	S	S	.	.	H	α-helix	trans	-61.7	-42.8	174.1	0	0	0	0	0	112.5	T363 Q370 Q371	T363-G367 PolarHBondContact O-N 3.05Å; G367-Q370 PolarHBondContact O-N 3.45Å; G367-Q371 WeakPolarHBondContact O-CB 3.27Å; G367-Q371 PolarHBondContact O-N 2.7Å; G367-Q371 VanDerWaalsContact O-N 3.14Å
368	Y	83.3	Confident	74	Confident	80 Å²	80	90.8 Å²	90.8	31%	0.314	50%	0.502	S	S	.	.	H	α-helix	trans	-63.6	-46.9	175.6	-177.3	-93.1	0	0	0	112.1	L364 K365 Q370 Q371 Y372 P379 V383	L364-Y368 WeakPolarHBondContact O-CB 3.48Å; L364-Y368 PolarHBondContact O-N 3.42Å; K365-Y368 PolarHBondContact O-N 3.12Å; Y368-Q370 VanDerWaalsContact C-N 3.3Å; Y368-Q370 PolarHBondContact O-N 3.43Å; Y368-Q371 PolarHBondContact O-N 2.89Å; Y368-Y372 AromaticContact CD2-CD2 3.66Å; Y368-Y372 HydrophobicContact CD2-CD2 3.66Å; Y368-Y372 HydrophobicContact CD2-CE2 4.05Å; Y368-Y372 AromaticContact CE2-CD2 3.52Å; Y368-Y372 HydrophobicContact CE2-CD2 3.52Å; Y368-Y372 AromaticContact CE2-CE2 3.9Å; Y368-Y372 HydrophobicContact CE2-CE2 3.9Å; Y368-Y372 HydrophobicContact CE2-CG 4.08Å; Y368-Y372 HydrophobicContact CG-CD2 4.26Å; Y368-Y372 PolarHBondContact O-N 3.12Å; Y368-P379 HydrophobicContact CD1-CB 4.13Å; Y368-P379 HydrophobicContact CE1-CB 4.22Å; Y368-V383 HydrophobicContact CD1-CG1 3.83Å; Y368-V383 HydrophobicContact CD2-CG1 3.92Å; Y368-V383 HydrophobicContact CE1-CB 4.48Å; Y368-V383 HydrophobicContact CE1-CG1 3.95Å; Y368-V383 HydrophobicContact CE1-CG2 4.19Å; Y368-V383 HydrophobicContact CE2-CG1 4.04Å; Y368-V383 HydrophobicContact CE2-CG2 4.07Å; Y368-V383 HydrophobicContact CG-CG1 3.8Å
369	L	81.8	Confident	73.3	Confident	50 Å²	50	87.6 Å²	87.6	26%	0.262	49%	0.486	S	S	.	.	H	α-helix	trans	-62.4	-36.5	177.8	-71.8	172.8	0	0	0	112.2	K365 N366 Q371 G373 P379	K365-L369 HydrophobicContact CG-CD1 4.09Å; K365-L369 WeakPolarHBondContact O-CG 3.39Å; K365-L369 PolarHBondContact O-N 2.72Å; N366-L369 PolarHBondContact O-N 2.86Å; L369-Q371 VanDerWaalsContact C-N 3.33Å; L369-Q371 PolarHBondContact O-N 3.35Å; L369-G373 WeakPolarHBondContact O-CA 3.2Å; L369-G373 PolarHBondContact O-N 2.93Å; L369-P379 HydrophobicContact CD2-CB 4.39Å; L369-P379 HydrophobicContact CD2-CG 4.25Å
370	Q	80.7	Confident	72.8	Confident	177 Å²	177	87.2 Å²	87.2	83%	0.827	49%	0.487	S	S	*	.	H	α-helix	trans	-68.2	-33.3	176.7	-169.3	175.2	16.4	0	0	112.5	N366 G367 Y368	N366-Q370 WeakPolarHBondContact O-CB 3.43Å; N366-Q370 PolarHBondContact O-N 2.93Å; G367-Q370 PolarHBondContact O-N 3.45Å; Y368-Q370 VanDerWaalsContact C-N 3.3Å; Y368-Q370 PolarHBondContact O-N 3.43Å
371	Q	77.5	Confident	72.1	Confident	153 Å²	153	90.3 Å²	90.3	72%	0.715	50%	0.501	S	S	*	.	H	α-helix	trans	-87.5	-29.8	-176.3	-162.3	171.1	10.1	0	0	113.5	G367 Y368 L369	G367-Q371 WeakPolarHBondContact O-CB 3.27Å; G367-Q371 PolarHBondContact O-N 2.7Å; G367-Q371 VanDerWaalsContact O-N 3.14Å; Y368-Q371 PolarHBondContact O-N 2.89Å; L369-Q371 VanDerWaalsContact C-N 3.33Å; L369-Q371 PolarHBondContact O-N 3.35Å
372	Y	71.6	Confident	71.7	Confident	138 Å²	138	94.7 Å²	94.7	54%	0.541	53%	0.527	S	S	.	.	H	α-helix	trans	-120.2	-7.4	-175	-66.4	-84.8	0	0	0	114.7	Y368 A374	Y368-Y372 AromaticContact CD2-CD2 3.66Å; Y368-Y372 HydrophobicContact CD2-CD2 3.66Å; Y368-Y372 HydrophobicContact CD2-CE2 4.05Å; Y368-Y372 AromaticContact CE2-CD2 3.52Å; Y368-Y372 HydrophobicContact CE2-CD2 3.52Å; Y368-Y372 AromaticContact CE2-CE2 3.9Å; Y368-Y372 HydrophobicContact CE2-CE2 3.9Å; Y368-Y372 HydrophobicContact CE2-CG 4.08Å; Y368-Y372 HydrophobicContact CG-CD2 4.26Å; Y368-Y372 PolarHBondContact O-N 3.12Å; Y372-A374 PolarHBondContact O-N 3.49Å
373	G	61	Low	71.7	Confident	36 Å²	36	91.6 Å²	91.6	37%	0.371	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	6.6	-173.9	0	0	0	0	0	116.4	L369 N375	L369-G373 WeakPolarHBondContact O-CA 3.2Å; L369-G373 PolarHBondContact O-N 2.93Å; G373-N375 PolarHBondContact O-N 3.5Å
374	A	55.3	Low	71.1	Confident	99 Å²	99	88 Å²	88	82%	0.818	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-19.6	173.5	0	0	0	0	0	113.1	Y372	Y372-A374 PolarHBondContact O-N 3.49Å
375	N	52.4	Low	70.6	Confident	154 Å²	154	87.4 Å²	87.4	82%	0.824	49%	0.489	S	S	*	.	S	Bend	trans	-132.3	-3.4	-174.8	-78.1	-27.3	0	0	0	115.5	G373	G373-N375 PolarHBondContact O-N 3.5Å
376	S	50.3	Low	70.5	Confident	79 Å²	79	86.6 Å²	86.6	55%	0.552	50%	0.495	S	S	*	.			trans	-152.7	124.3	177.6	-59.8	0	0	0	0	110.5	D378	S376-D378 VanDerWaalsContact C-N 3.31Å
377	T	57.1	Low	70.4	Confident	127 Å²	127	82.8 Å²	82.8	78%	0.779	48%	0.476	S	S	*	.	S	Bend	trans	-76.8	-15.1	-178.4	32.8	0	0	0	0	113.7
378	D	59.2	Low	70	Confident	126 Å²	126	81.6 Å²	81.6	67%	0.674	46%	0.464	S	S	*	.	S	Bend	trans	-120.2	124.5	-177.3	-61.7	-51.1	0	0	0	111.3	S376 G380	S376-D378 VanDerWaalsContact C-N 3.31Å; D378-G380 PolarHBondContact O-N 3.49Å
379	P	62.4	Low	69.9	Low	15 Å²	15	80 Å²	80	10%	0.097	46%	0.462	C	S	.	.			trans	-66.6	124.4	171.4	25.5	-22.7	0	0	0	107.6	Y368 L369 V383 L384	Y368-P379 HydrophobicContact CD1-CB 4.13Å; Y368-P379 HydrophobicContact CE1-CB 4.22Å; L369-P379 HydrophobicContact CD2-CB 4.39Å; L369-P379 HydrophobicContact CD2-CG 4.25Å; P379-V383 HydrophobicContact CB-CB 4.44Å; P379-V383 HydrophobicContact CB-CG1 4.33Å; P379-L384 HydrophobicContact CB-CG 4.31Å; P379-L384 HydrophobicContact CG-CD1 4.19Å; P379-L384 HydrophobicContact CG-CD2 4.03Å; P379-L384 HydrophobicContact CG-CG 3.97Å; P379-L384 WeakPolarHBondContact O-CD1 3.33Å
380	G	71.8	Confident	70.1	Confident	42 Å²	42	81 Å²	81	43%	0.433	47%	0.471	S	S	.	.			trans	-55.3	152.4	-178.9	0	0	0	0	0	112.3	D378 L382 V383 L384	D378-G380 PolarHBondContact O-N 3.49Å; G380-L382 PolarHBondContact O-N 3.02Å; G380-V383 WeakPolarHBondContact O-CA 3.5Å; G380-V383 WeakPolarHBondContact O-CB 3.24Å; G380-V383 PolarHBondContact O-N 3.41Å; G380-L384 PolarHBondContact O-N 2.71Å; G380-L384 VanDerWaalsContact O-N 3.16Å
381	I	71.3	Confident	70.2	Confident	102 Å²	102	72.7 Å²	72.7	52%	0.523	43%	0.432	S	S	.	.	H	α-helix	trans	-48.8	-40.7	-176.2	-63.9	166.5	0	0	0	112.2	V383 L384 L385	I381-V383 VanDerWaalsContact C-N 3.31Å; I381-V383 PolarHBondContact O-N 3.49Å; I381-L384 PolarHBondContact O-N 2.97Å; I381-L385 HydrophobicContact CG2-CD1 3.86Å; I381-L385 HydrophobicContact CG2-CG 4.26Å; I381-L385 WeakPolarHBondContact O-CB 3.21Å; I381-L385 VanDerWaalsContact O-CG 3.24Å; I381-L385 WeakPolarHBondContact O-CG 3.22Å; I381-L385 PolarHBondContact O-N 3.45Å
382	L	72.6	Confident	70.4	Confident	145 Å²	145	65.4 Å²	65.4	76%	0.759	40%	0.398	S	S	*	.	H	α-helix	trans	-63.1	-35.3	178	-66.5	177	0	0	0	113.3	G380 A386	G380-L382 PolarHBondContact O-N 3.02Å; L382-A386 VanDerWaalsContact O-CB 3.3Å; L382-A386 WeakPolarHBondContact O-CB 3.2Å; L382-A386 PolarHBondContact O-N 2.88Å
383	V	77.8	Confident	71.1	Confident	33 Å²	33	60.7 Å²	60.7	20%	0.2	38%	0.383	C	S	.	.	H	α-helix	trans	-71.7	-45.6	177.8	179.9	0	0	0	0	109.9	Y368 P379 G380 I381 L385 A386 C387	Y368-V383 HydrophobicContact CD1-CG1 3.83Å; Y368-V383 HydrophobicContact CD2-CG1 3.92Å; Y368-V383 HydrophobicContact CE1-CB 4.48Å; Y368-V383 HydrophobicContact CE1-CG1 3.95Å; Y368-V383 HydrophobicContact CE1-CG2 4.19Å; Y368-V383 HydrophobicContact CE2-CG1 4.04Å; Y368-V383 HydrophobicContact CE2-CG2 4.07Å; Y368-V383 HydrophobicContact CG-CG1 3.8Å; P379-V383 HydrophobicContact CB-CB 4.44Å; P379-V383 HydrophobicContact CB-CG1 4.33Å; G380-V383 WeakPolarHBondContact O-CA 3.5Å; G380-V383 WeakPolarHBondContact O-CB 3.24Å; G380-V383 PolarHBondContact O-N 3.41Å; I381-V383 VanDerWaalsContact C-N 3.31Å; I381-V383 PolarHBondContact O-N 3.49Å; V383-L385 VanDerWaalsContact C-N 3.32Å; V383-L385 PolarHBondContact O-N 2.68Å; V383-A386 PolarHBondContact O-N 3.19Å; V383-C387 WeakPolarHBondContact O-CB 3.29Å; V383-C387 PolarHBondContact O-N 2.92Å; V383-C387 PolarHBondContact O-SG 3.3Å
384	L	75.1	Confident	72.3	Confident	25 Å²	25	61.2 Å²	61.2	13%	0.131	38%	0.381	C	S	.	.	H	α-helix	trans	-57.4	-45.2	174.7	-75.7	154.2	0	0	0	111.5	Y361 P379 G380 I381 C387 G388	Y361-L384 WeakPolarHBondContact OH-CD2 3.43Å; P379-L384 HydrophobicContact CB-CG 4.31Å; P379-L384 HydrophobicContact CG-CD1 4.19Å; P379-L384 HydrophobicContact CG-CD2 4.03Å; P379-L384 HydrophobicContact CG-CG 3.97Å; P379-L384 WeakPolarHBondContact O-CD1 3.33Å; G380-L384 PolarHBondContact O-N 2.71Å; G380-L384 VanDerWaalsContact O-N 3.16Å; I381-L384 PolarHBondContact O-N 2.97Å; L384-C387 PolarHBondContact O-N 2.91Å; L384-G388 PolarHBondContact O-N 3.01Å
385	L	73.9	Confident	73.8	Confident	58 Å²	58	56.5 Å²	56.5	30%	0.304	34%	0.342	S	S	.	.	H	α-helix	trans	-64.2	-41.3	176.2	-71.1	173.9	0	0	0	112.3	I381 V383 G388 T389	I381-L385 HydrophobicContact CG2-CD1 3.86Å; I381-L385 HydrophobicContact CG2-CG 4.26Å; I381-L385 WeakPolarHBondContact O-CB 3.21Å; I381-L385 VanDerWaalsContact O-CG 3.24Å; I381-L385 WeakPolarHBondContact O-CG 3.22Å; I381-L385 PolarHBondContact O-N 3.45Å; V383-L385 VanDerWaalsContact C-N 3.32Å; V383-L385 PolarHBondContact O-N 2.68Å; L385-G388 PolarHBondContact O-N 3.36Å; L385-T389 WeakPolarHBondContact O-CB 3.28Å; L385-T389 PolarHBondContact O-N 3.46Å; L385-T389 PolarHBondContact O-OG1 2.96Å
386	A	79.3	Confident	75.4	Confident	53 Å²	53	49.9 Å²	49.9	44%	0.438	31%	0.306	S	S	.	.	H	α-helix	trans	-64.7	-46.3	176.3	0	0	0	0	0	111.4	L382 V383 G388 T389 V390	L382-A386 VanDerWaalsContact O-CB 3.3Å; L382-A386 WeakPolarHBondContact O-CB 3.2Å; L382-A386 PolarHBondContact O-N 2.88Å; V383-A386 PolarHBondContact O-N 3.19Å; A386-G388 PolarHBondContact O-N 3.45Å; A386-T389 PolarHBondContact O-N 3.09Å; A386-V390 WeakPolarHBondContact O-CB 3.27Å; A386-V390 VanDerWaalsContact O-CG2 3.28Å; A386-V390 WeakPolarHBondContact O-CG2 3.48Å; A386-V390 PolarHBondContact O-N 3.47Å
387	C	78.3	Confident	77.3	Confident	13 Å²	13	49.2 Å²	49.2	9%	0.088	30%	0.296	C	S	.	.	H	α-helix	trans	-58.4	-47.9	175.6	-68.3	0	0	0	0	111.3	Y361 L364 V383 L384 V390 S391	Y361-C387 HydrophobicContact CD2-CB 3.97Å; Y361-C387 HydrophobicContact CE2-CB 4.08Å; L364-C387 HydrophobicContact CB-CB 4.25Å; V383-C387 WeakPolarHBondContact O-CB 3.29Å; V383-C387 PolarHBondContact O-N 2.92Å; V383-C387 PolarHBondContact O-SG 3.3Å; L384-C387 PolarHBondContact O-N 2.91Å; C387-V390 PolarHBondContact O-N 3.35Å; C387-S391 WeakPolarHBondContact O-CB 3.42Å; C387-S391 PolarHBondContact O-N 3.35Å; C387-S391 PolarHBondContact O-OG 3.39Å
388	G	78.1	Confident	78.8	Confident	9 Å²	9	45.5 Å²	45.5	9%	0.093	28%	0.278	C	S	.	.	H	α-helix	trans	-64.2	-41	177.8	0	0	0	0	0	113.1	L384 L385 A386 V390 S391 S392	L384-G388 PolarHBondContact O-N 3.01Å; L385-G388 PolarHBondContact O-N 3.36Å; A386-G388 PolarHBondContact O-N 3.45Å; G388-V390 PolarHBondContact O-N 2.93Å; G388-S391 WeakPolarHBondContact CA-OG 3.41Å; G388-S391 PolarHBondContact O-N 3.41Å; G388-S391 PolarHBondContact O-OG 3.11Å; G388-S392 VanDerWaalsContact O-CB 3.29Å; G388-S392 WeakPolarHBondContact O-CB 3.49Å; G388-S392 PolarHBondContact O-N 3.49Å; G388-S392 PolarHBondContact O-OG 2.57Å; G388-S392 VanDerWaalsContact O-OG 3.12Å
389	T	81.6	Confident	80.2	Confident	46 Å²	46	40 Å²	40	28%	0.282	25%	0.25	S	C	.	.	H	α-helix	trans	-66.1	-42.2	178.6	-56	0	0	0	0	111.4	F168 L385 A386 T393	F168-T389 HydrophobicContact CD1-CG2 4.17Å; F168-T389 HydrophobicContact CE1-CG2 4.37Å; L385-T389 WeakPolarHBondContact O-CB 3.28Å; L385-T389 PolarHBondContact O-N 3.46Å; L385-T389 PolarHBondContact O-OG1 2.96Å; A386-T389 PolarHBondContact O-N 3.09Å; T389-T393 VanDerWaalsContact O-CB 3.25Å; T389-T393 WeakPolarHBondContact O-CB 3.4Å; T389-T393 PolarHBondContact O-N 3.49Å; T389-T393 PolarHBondContact O-OG1 3.16Å
390	V	85.5	Confident	81.6	Confident	72 Å²	72	39.6 Å²	39.6	44%	0.436	25%	0.246	S	C	.	.	H	α-helix	trans	-67.1	-44.7	177.8	172.9	0	0	0	0	110.5	V360 L364 A386 C387 G388 T393 C394	V360-V390 HydrophobicContact CG1-CG1 4.5Å; L364-V390 HydrophobicContact CD1-CB 4Å; L364-V390 HydrophobicContact CD1-CG1 3.75Å; A386-V390 WeakPolarHBondContact O-CB 3.27Å; A386-V390 VanDerWaalsContact O-CG2 3.28Å; A386-V390 WeakPolarHBondContact O-CG2 3.48Å; A386-V390 PolarHBondContact O-N 3.47Å; C387-V390 PolarHBondContact O-N 3.35Å; G388-V390 PolarHBondContact O-N 2.93Å; V390-T393 PolarHBondContact O-N 2.92Å; V390-C394 WeakPolarHBondContact O-CB 3.21Å; V390-C394 PolarHBondContact O-N 2.94Å; V390-C394 PolarHBondContact O-SG 3.36Å
391	S	82	Confident	82.5	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.007	23%	0.232	C	C	.	.	H	α-helix	trans	-62.8	-46.8	179.6	68.3	0	0	0	0	112.1	D357 C387 G388 T393 C394 G395	D357-S391 VanDerWaalsContact O-CB 3.26Å; D357-S391 WeakPolarHBondContact O-CB 3.24Å; D357-S391 VanDerWaalsContact OD1-CB 3.24Å; D357-S391 WeakPolarHBondContact OD1-CB 3.3Å; D357-S391 PolarHBondContact OD1-OG 2.96Å; C387-S391 WeakPolarHBondContact O-CB 3.42Å; C387-S391 PolarHBondContact O-N 3.35Å; C387-S391 PolarHBondContact O-OG 3.39Å; G388-S391 WeakPolarHBondContact CA-OG 3.41Å; G388-S391 PolarHBondContact O-N 3.41Å; G388-S391 PolarHBondContact O-OG 3.11Å; S391-T393 VanDerWaalsContact C-N 3.32Å; S391-T393 PolarHBondContact O-N 3.47Å; S391-C394 WeakPolarHBondContact O-CB 3.3Å; S391-C394 PolarHBondContact O-N 2.92Å; S391-G395 PolarHBondContact O-N 3.31Å
392	S	81.7	Confident	83.5	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.007	22%	0.217	C	C	.	.	H	α-helix	trans	-68.3	-34.3	-179.4	-67	0	0	0	0	111.5	D357 G388 Q396	D357-S392 WeakPolarHBondContact OD1-CA 3.36Å; D357-S392 PolarHBondContact OD1-N 2.81Å; D357-S392 PolarHBondContact OD1-OG 3.05Å; G388-S392 VanDerWaalsContact O-CB 3.29Å; G388-S392 WeakPolarHBondContact O-CB 3.49Å; G388-S392 PolarHBondContact O-N 3.49Å; G388-S392 PolarHBondContact O-OG 2.57Å; G388-S392 VanDerWaalsContact O-OG 3.12Å; S392-Q396 VanDerWaalsContact O-CB 3.24Å; S392-Q396 WeakPolarHBondContact O-CB 3.31Å; S392-Q396 PolarHBondContact O-N 3.28Å
393	T	86.4	Confident	84.3	Confident	38 Å²	38	30 Å²	30	23%	0.233	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-45.9	172.3	-62	0	0	0	0	111.4	T389 V390 S391 Q396 L397 F448	T389-T393 VanDerWaalsContact O-CB 3.25Å; T389-T393 WeakPolarHBondContact O-CB 3.4Å; T389-T393 PolarHBondContact O-N 3.49Å; T389-T393 PolarHBondContact O-OG1 3.16Å; V390-T393 PolarHBondContact O-N 2.92Å; S391-T393 VanDerWaalsContact C-N 3.32Å; S391-T393 PolarHBondContact O-N 3.47Å; T393-Q396 PolarHBondContact O-N 2.8Å; T393-L397 HydrophobicContact CG2-CD1 4.19Å; T393-L397 VanDerWaalsContact O-CG 3.29Å; T393-L397 WeakPolarHBondContact O-CG 3.39Å; T393-L397 PolarHBondContact O-N 3.36Å; T393-F448 HydrophobicContact CG2-CE1 3.86Å; T393-F448 HydrophobicContact CG2-CZ 3.81Å
394	C	86.6	Confident	84.9	Confident	48 Å²	48	28.5 Å²	28.5	32%	0.324	18%	0.182	S	C	.	.	H	α-helix	trans	-62.6	-45.9	176.7	-73.2	0	0	0	0	112	I356 V360 V390 S391 Q396 L397 A398	I356-C394 HydrophobicContact CG2-CB 4.17Å; V360-C394 HydrophobicContact CG2-CB 4.34Å; V390-C394 WeakPolarHBondContact O-CB 3.21Å; V390-C394 PolarHBondContact O-N 2.94Å; V390-C394 PolarHBondContact O-SG 3.36Å; S391-C394 WeakPolarHBondContact O-CB 3.3Å; S391-C394 PolarHBondContact O-N 2.92Å; C394-Q396 VanDerWaalsContact C-N 3.3Å; C394-Q396 PolarHBondContact O-N 3.26Å; C394-L397 PolarHBondContact O-N 2.83Å; C394-A398 PolarHBondContact O-N 3.29Å
395	G	86.5	Confident	85.7	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.9	-41.9	175.3	0	0	0	0	0	111.7	S391 A398 S399	S391-G395 PolarHBondContact O-N 3.31Å; G395-A398 PolarHBondContact O-N 3.04Å; G395-S399 WeakPolarHBondContact O-CB 3.39Å; G395-S399 PolarHBondContact O-N 3.2Å; G395-S399 PolarHBondContact O-OG 3.17Å
396	Q	85.6	Confident	86.5	Confident	15 Å²	15	25.9 Å²	25.9	7%	0.07	17%	0.167	C	C	.	.	H	α-helix	trans	-65.5	-44.6	177.2	-174.8	166.6	77	0	0	111.7	V170 Y353 S392 T393 C394 A398 S399 Y400 N447	V170-Q396 PolarHBondContact O-NE2 3.41Å; Y353-Q396 HydrophobicContact CE2-CB 4.15Å; S392-Q396 VanDerWaalsContact O-CB 3.24Å; S392-Q396 WeakPolarHBondContact O-CB 3.31Å; S392-Q396 PolarHBondContact O-N 3.28Å; T393-Q396 PolarHBondContact O-N 2.8Å; C394-Q396 VanDerWaalsContact C-N 3.3Å; C394-Q396 PolarHBondContact O-N 3.26Å; Q396-A398 VanDerWaalsContact C-N 3.33Å; Q396-A398 PolarHBondContact O-N 3.14Å; Q396-S399 PolarHBondContact O-N 3.06Å; Q396-S399 PolarHBondContact O-OG 3.33Å; Q396-Y400 HydrophobicContact CG-CD2 4.37Å; Q396-Y400 WeakPolarHBondContact O-CA 3.36Å; Q396-Y400 WeakPolarHBondContact O-CB 3.16Å; Q396-Y400 PolarHBondContact O-N 2.9Å; Q396-N447 PolarHBondContact NE2-ND2 3.23Å; Q396-N447 PolarHBondContact OE1-ND2 3.16Å
397	L	90.1	Very high	87	Confident	64 Å²	64	23.6 Å²	23.6	34%	0.335	15%	0.147	S	C	.	.	H	α-helix	trans	-59.3	-43.9	177.3	-73.3	171.9	0	0	0	111.7	T393 C394 Y441 L444 F448	T393-L397 HydrophobicContact CG2-CD1 4.19Å; T393-L397 VanDerWaalsContact O-CG 3.29Å; T393-L397 WeakPolarHBondContact O-CG 3.39Å; T393-L397 PolarHBondContact O-N 3.36Å; C394-L397 PolarHBondContact O-N 2.83Å; L397-Y441 WeakPolarHBondContact O-CE1 3.29Å; L397-L444 HydrophobicContact CD2-CD1 4.25Å; L397-L444 HydrophobicContact CD2-CD2 3.7Å; L397-F448 HydrophobicContact CD2-CE2 4.47Å; L397-F448 HydrophobicContact CD2-CZ 4.38Å
398	A	89.6	Confident	87.6	Confident	49 Å²	49	24.4 Å²	24.4	41%	0.405	15%	0.148	S	C	.	.	H	α-helix	trans	-68.1	-38.4	-180	0	0	0	0	0	113.1	I356 C394 G395 Q396	I356-A398 HydrophobicContact CD1-CB 3.24Å; C394-A398 PolarHBondContact O-N 3.29Å; G395-A398 PolarHBondContact O-N 3.04Å; Q396-A398 VanDerWaalsContact C-N 3.33Å; Q396-A398 PolarHBondContact O-N 3.14Å
399	S	89.1	Confident	88.1	Confident	12 Å²	12	25.1 Å²	25.1	8%	0.084	15%	0.15	C	C	.	.	H	α-helix	trans	-86.9	-10.8	-180	59.8	0	0	0	0	113.8	G349 G395 Q396 P401 L402 A403	G349-S399 WeakPolarHBondContact O-CB 3.41Å; G395-S399 WeakPolarHBondContact O-CB 3.39Å; G395-S399 PolarHBondContact O-N 3.2Å; G395-S399 PolarHBondContact O-OG 3.17Å; Q396-S399 PolarHBondContact O-N 3.06Å; Q396-S399 PolarHBondContact O-OG 3.33Å; S399-P401 VanDerWaalsContact C-CD 3.48Å; S399-L402 PolarHBondContact O-N 2.94Å; S399-L402 VanDerWaalsContact O-N 3.1Å; S399-A403 PolarHBondContact O-N 3.02Å; S399-A403 VanDerWaalsContact O-N 3.11Å
400	Y	90	Very high	88.4	Confident	5 Å²	5	23 Å²	23	2%	0.02	14%	0.136	C	C	.	.	H	α-helix	trans	-56.8	-41.5	-174.4	-158.7	-91.8	0	0	0	114.3	Q219 Q396 L402 A403 L404 L440 Y441 R442 G443 L444	Q219-Y400 PolarHBondContact NE2-OH 3.31Å; Q396-Y400 HydrophobicContact CG-CD2 4.37Å; Q396-Y400 WeakPolarHBondContact O-CA 3.36Å; Q396-Y400 WeakPolarHBondContact O-CB 3.16Å; Q396-Y400 PolarHBondContact O-N 2.9Å; Y400-L402 VanDerWaalsContact C-N 3.27Å; Y400-L402 PolarHBondContact O-N 3.41Å; Y400-A403 WeakPolarHBondContact O-CA 3.15Å; Y400-A403 WeakPolarHBondContact O-CB 3.34Å; Y400-A403 PolarHBondContact O-N 3.09Å; Y400-A403 VanDerWaalsContact O-N 3.09Å; Y400-L404 PolarHBondContact O-N 3.47Å; Y400-L440 WeakPolarHBondContact CD1-O 3.32Å; Y400-L440 WeakPolarHBondContact CE1-O 3.25Å; Y400-Y441 HydrophobicContact CD1-CD1 4.01Å; Y400-Y441 HydrophobicContact CD1-CG 4.5Å; Y400-Y441 HydrophobicContact CG-CD1 4.33Å; Y400-R442 VanDerWaalsContact CE1-O 3.3Å; Y400-R442 WeakPolarHBondContact CE1-O 3.29Å; Y400-R442 PolarHBondContact OH-O 3.07Å; Y400-G443 WeakPolarHBondContact OH-CA 3.39Å; Y400-G443 PolarHBondContact OH-O 3.38Å; Y400-L444 HydrophobicContact CD2-CD1 3.54Å; Y400-L444 HydrophobicContact CE1-CB 4.29Å; Y400-L444 HydrophobicContact CE2-CB 4.23Å; Y400-L444 HydrophobicContact CE2-CD1 3.59Å; Y400-L444 HydrophobicContact CG-CD1 4.07Å; Y400-L444 PolarHBondContact OH-N 3.37Å
401	P	92.1	Very high	88.5	Confident	19 Å²	19	19.6 Å²	19.6	12%	0.123	12%	0.116	C	C	.	.	H	α-helix	trans	-56.3	-40.1	176.6	-28.1	37.4	0	0	0	113.2	S399 L404 V405 F428 L440	S399-P401 VanDerWaalsContact C-CD 3.48Å; P401-L404 PolarHBondContact O-N 3Å; P401-V405 WeakPolarHBondContact O-CG2 3.44Å; P401-V405 PolarHBondContact O-N 3.21Å; P401-V405 VanDerWaalsContact O-N 3.07Å; P401-F428 HydrophobicContact CB-CE2 4.48Å; P401-L440 HydrophobicContact CB-CB 4.17Å; P401-L440 HydrophobicContact CB-CD1 4.25Å; P401-L440 HydrophobicContact CB-CD2 4.2Å; P401-L440 HydrophobicContact CB-CG 4.44Å; P401-L440 HydrophobicContact CG-CB 4.29Å
402	L	91.3	Very high	88.3	Confident	43 Å²	43	20.4 Å²	20.4	23%	0.225	12%	0.12	C	C	.	.	H	α-helix	trans	-71.8	-36.9	177.1	-68	172	0	0	0	111.4	P345 L348 S399 Y400 L404 V405 R406	P345-L402 HydrophobicContact CB-CD2 4.46Å; L348-L402 HydrophobicContact CB-CD1 4.09Å; L348-L402 WeakPolarHBondContact O-CD1 3.22Å; S399-L402 PolarHBondContact O-N 2.94Å; S399-L402 VanDerWaalsContact O-N 3.1Å; Y400-L402 VanDerWaalsContact C-N 3.27Å; Y400-L402 PolarHBondContact O-N 3.41Å; L402-L404 VanDerWaalsContact C-N 3.32Å; L402-L404 PolarHBondContact O-N 3.44Å; L402-V405 PolarHBondContact O-N 3.07Å; L402-R406 WeakPolarHBondContact O-CB 3.27Å; L402-R406 PolarHBondContact O-N 2.85Å
403	A	89.2	Confident	87.7	Confident	27 Å²	27	22.4 Å²	22.4	22%	0.223	14%	0.137	C	C	.	.	H	α-helix	trans	-61.8	-38.9	173	0	0	0	0	0	112.1	S399 Y400 R406 T407	S399-A403 PolarHBondContact O-N 3.02Å; S399-A403 VanDerWaalsContact O-N 3.11Å; Y400-A403 WeakPolarHBondContact O-CA 3.15Å; Y400-A403 WeakPolarHBondContact O-CB 3.34Å; Y400-A403 PolarHBondContact O-N 3.09Å; Y400-A403 VanDerWaalsContact O-N 3.09Å; A403-R406 WeakPolarHBondContact O-CB 3.26Å; A403-T407 PolarHBondContact O-N 3.49Å; A403-T407 VanDerWaalsContact O-N 3.1Å; A403-T407 PolarHBondContact O-OG1 3.46Å
404	L	90.6	Very high	86.9	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.5	-48	174.5	-177.7	72.5	0	0	0	111.6	Q219 Y400 P401 L402 R406 T407 R408 I431 G439 L440	Q219-L404 HydrophobicContact CB-CD1 3.53Å; Q219-L404 HydrophobicContact CG-CD1 3.48Å; Q219-L404 VanDerWaalsContact CG-CD1 3.48Å; Y400-L404 PolarHBondContact O-N 3.47Å; P401-L404 PolarHBondContact O-N 3Å; L402-L404 VanDerWaalsContact C-N 3.32Å; L402-L404 PolarHBondContact O-N 3.44Å; L404-R406 VanDerWaalsContact C-N 3.29Å; L404-R406 PolarHBondContact O-N 2.94Å; L404-T407 PolarHBondContact O-N 3.05Å; L404-R408 PolarHBondContact O-N 2.91Å; L404-I431 HydrophobicContact CD2-CD1 4.07Å; L404-I431 HydrophobicContact CD2-CG2 4.44Å; L404-I431 HydrophobicContact CG-CD1 4.49Å; L404-G439 WeakPolarHBondContact CD2-O 3.49Å; L404-L440 VanDerWaalsContact CD2-CA 3.49Å; L404-L440 HydrophobicContact CD2-CD2 4.48Å; L404-L440 WeakPolarHBondContact CD2-O 3.42Å
405	V	91.5	Very high	85.8	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-59.1	-42.8	178	172.8	0	0	0	0	110.6	P345 P401 L402 T407 R408 M409 M424 V427 F428 I431	P345-V405 HydrophobicContact CB-CG1 4.22Å; P345-V405 HydrophobicContact CG-CG1 4.29Å; P401-V405 WeakPolarHBondContact O-CG2 3.44Å; P401-V405 PolarHBondContact O-N 3.21Å; P401-V405 VanDerWaalsContact O-N 3.07Å; L402-V405 PolarHBondContact O-N 3.07Å; V405-T407 PolarHBondContact O-N 2.94Å; V405-R408 PolarHBondContact O-N 2.85Å; V405-M409 HydrophobicContact CG1-CG 4.29Å; V405-M409 HydrophobicContact CG1-SD 4.06Å; V405-M409 WeakPolarHBondContact O-CB 3.47Å; V405-M409 WeakPolarHBondContact O-CG 3.47Å; V405-M409 PolarHBondContact O-N 3.31Å; V405-M424 HydrophobicContact CG1-CG 3.78Å; V405-V427 HydrophobicContact CG1-CB 4.35Å; V405-V427 HydrophobicContact CG1-CG1 4.2Å; V405-F428 HydrophobicContact CG2-CB 4.19Å; V405-F428 HydrophobicContact CG2-CD2 3.9Å; V405-I431 HydrophobicContact CG2-CD1 4.07Å
406	R	91.4	Very high	84.5	Confident	28 Å²	28	26.6 Å²	26.6	11%	0.106	16%	0.156	C	C	.	.	H	α-helix	trans	-52.4	-55.9	172.2	177.2	-171.4	79.9	159.4	8.3	111	E172 P345 N346 L402 A403 L404 R408 M409 Q410	E172-R406 IonicContact OE2-NH2 3.43Å; E172-R406 PolarHBondContact OE2-NH2 2.85Å; P345-R406 HydrophobicContact CB-CB 4.44Å; P345-R406 HydrophobicContact CG-CB 4.28Å; N346-R406 HydrophobicContact CB-CG 4.19Å; N346-R406 WeakPolarHBondContact OD1-CD 3.28Å; N346-R406 PolarHBondContact OD1-NH1 2.89Å; L402-R406 WeakPolarHBondContact O-CB 3.27Å; L402-R406 PolarHBondContact O-N 2.85Å; A403-R406 WeakPolarHBondContact O-CB 3.26Å; L404-R406 VanDerWaalsContact C-N 3.29Å; L404-R406 PolarHBondContact O-N 2.94Å; R406-R408 VanDerWaalsContact C-N 3.33Å; R406-R408 PolarHBondContact O-N 2.67Å; R406-M409 PolarHBondContact O-N 3.27Å; R406-Q410 VanDerWaalsContact O-CG 3.31Å; R406-Q410 WeakPolarHBondContact O-CG 3.36Å; R406-Q410 PolarHBondContact O-N 3.23Å
407	T	90.1	Very high	82.9	Confident	4 Å²	4	28.4 Å²	28.4	3%	0.025	18%	0.179	C	C	.	.	H	α-helix	trans	-61.2	-40.9	-177.9	-55.4	0	0	0	0	112	V216 Q219 V220 T310 A403 L404 V405 Q410 A411	V216-T407 HydrophobicContact CG1-CG2 4.05Å; Q219-T407 HydrophobicContact CB-CG2 4.19Å; Q219-T407 VanDerWaalsContact OE1-CB 3.23Å; Q219-T407 VanDerWaalsContact OE1-CG2 3.27Å; Q219-T407 PolarHBondContact OE1-OG1 3.47Å; V220-T407 HydrophobicContact CG2-CG2 4.04Å; T310-T407 HydrophobicContact CG2-CG2 4.16Å; A403-T407 PolarHBondContact O-N 3.49Å; A403-T407 VanDerWaalsContact O-N 3.1Å; A403-T407 PolarHBondContact O-OG1 3.46Å; L404-T407 PolarHBondContact O-N 3.05Å; V405-T407 PolarHBondContact O-N 2.94Å; T407-Q410 PolarHBondContact O-N 3.46Å; T407-A411 WeakPolarHBondContact O-CB 3.3Å; T407-A411 PolarHBondContact O-N 3.06Å
408	R	89.9	Confident	81	Confident	30 Å²	30	33.7 Å²	33.7	11%	0.113	21%	0.207	C	C	.	.	H	α-helix	trans	-66.4	-41.8	177.6	-72.6	-157	178.1	-172.1	0.8	112.7	Q219 G222 L404 V405 R406 Q410 A411 Q412 V427 E435	Q219-R408 PolarHBondContact O-NE 3.39Å; Q219-R408 PolarHBondContact O-NH2 3.36Å; G222-R408 PolarHBondContact O-NH2 3.03Å; L404-R408 PolarHBondContact O-N 2.91Å; V405-R408 PolarHBondContact O-N 2.85Å; R406-R408 VanDerWaalsContact C-N 3.33Å; R406-R408 PolarHBondContact O-N 2.67Å; R408-Q410 VanDerWaalsContact C-N 3.31Å; R408-Q410 PolarHBondContact O-N 2.85Å; R408-A411 CarbonylContact O-C 3.19Å; R408-A411 WeakPolarHBondContact O-CA 3.44Å; R408-A411 WeakPolarHBondContact O-CB 3.36Å; R408-A411 PolarHBondContact O-N 3.31Å; R408-Q412 PolarHBondContact O-N 3.3Å; R408-V427 HydrophobicContact CB-CG1 3.88Å; R408-E435 IonicContact CZ-OE1 2.59Å; R408-E435 IonicContact CZ-OE2 2.98Å; R408-E435 IonicContact NH1-OE1 2.99Å; R408-E435 PolarHBondContact NH1-OE1 3.2Å; R408-E435 IonicContact NH1-OE2 3.58Å; R408-E435 IonicContact NH2-OE1 2.96Å; R408-E435 PolarHBondContact NH2-OE1 3.01Å; R408-E435 IonicContact NH2-OE2 2.89Å; R408-E435 PolarHBondContact NH2-OE2 3.35Å
409	M	89.5	Confident	79.1	Confident	24 Å²	24	38.5 Å²	38.5	12%	0.118	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-39.5	174.4	-73.4	-174.8	77.6	0	0	112	P345 V405 R406 A411 M424 V427	P345-M409 HydrophobicContact CG-SD 3.82Å; V405-M409 HydrophobicContact CG1-CG 4.29Å; V405-M409 HydrophobicContact CG1-SD 4.06Å; V405-M409 WeakPolarHBondContact O-CB 3.47Å; V405-M409 WeakPolarHBondContact O-CG 3.47Å; V405-M409 PolarHBondContact O-N 3.31Å; R406-M409 PolarHBondContact O-N 3.27Å; M409-A411 PolarHBondContact O-N 2.92Å; M409-M424 HydrophobicContact CE-CB 4.48Å; M409-M424 HydrophobicContact SD-CB 3.96Å; M409-M424 HydrophobicContact SD-CG 4.35Å; M409-V427 HydrophobicContact CG-CG2 3.96Å
410	Q	88.7	Confident	77.6	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-65.6	-25.6	173.7	-69.4	178	-9.6	0	0	112.6	Y303 V307 T310 R311 K341 R406 T407 R408	Y303-Q410 PolarHBondContact OH-NE2 2.93Å; V307-Q410 HydrophobicContact CG2-CG 4.16Å; T310-Q410 HydrophobicContact CG2-CB 3.79Å; T310-Q410 PolarHBondContact OG1-OE1 3.17Å; R311-Q410 WeakPolarHBondContact CD-O 3.31Å; R311-Q410 PolarHBondContact NE-O 2.93Å; K341-Q410 VanDerWaalsContact O-CG 3.28Å; K341-Q410 WeakPolarHBondContact O-CG 3.45Å; R406-Q410 VanDerWaalsContact O-CG 3.31Å; R406-Q410 WeakPolarHBondContact O-CG 3.36Å; R406-Q410 PolarHBondContact O-N 3.23Å; T407-Q410 PolarHBondContact O-N 3.46Å; R408-Q410 VanDerWaalsContact C-N 3.31Å; R408-Q410 PolarHBondContact O-N 2.85Å
411	A	85.9	Confident	76.4	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-91.8	-16.4	-178.6	0	0	0	0	0	115.1	V220 R311 L314 T407 R408 M409 A413 V414	V220-A411 HydrophobicContact CB-CB 4.32Å; V220-A411 HydrophobicContact CG1-CB 3.76Å; V220-A411 HydrophobicContact CG2-CB 3.52Å; R311-A411 PolarHBondContact NH1-O 3.31Å; L314-A411 HydrophobicContact CD1-CB 3.38Å; T407-A411 WeakPolarHBondContact O-CB 3.3Å; T407-A411 PolarHBondContact O-N 3.06Å; R408-A411 CarbonylContact O-C 3.19Å; R408-A411 WeakPolarHBondContact O-CA 3.44Å; R408-A411 WeakPolarHBondContact O-CB 3.36Å; R408-A411 PolarHBondContact O-N 3.31Å; M409-A411 PolarHBondContact O-N 2.92Å; A411-A413 VanDerWaalsContact C-N 3.34Å; A411-A413 PolarHBondContact O-N 2.95Å; A411-A413 VanDerWaalsContact O-N 3.07Å; A411-V414 WeakPolarHBondContact O-CB 3.43Å; A411-V414 PolarHBondContact O-N 3.22Å
412	Q	78.7	Confident	75.3	Confident	19 Å²	19	53.1 Å²	53.1	9%	0.089	29%	0.291	C	S	.	.	H	α-helix	trans	-43.7	-49	-168.9	-84.9	172.6	-11.5	0	0	115	R408 V414 T415 E416 A422	R408-Q412 PolarHBondContact O-N 3.3Å; Q412-V414 PolarHBondContact O-N 3.41Å; Q412-T415 PolarHBondContact O-N 2.78Å; Q412-T415 VanDerWaalsContact O-N 3.12Å; Q412-E416 PolarHBondContact O-N 3.4Å; Q412-A422 PolarHBondContact NE2-O 3.27Å
413	A	69.8	Low	74.9	Confident	43 Å²	43	54.6 Å²	54.6	36%	0.355	31%	0.305	S	S	.	.	H	α-helix	trans	-72.7	-9.2	-178.3	0	0	0	0	0	115.6	R311 E334 A411	R311-A413 VanDerWaalsContact NH1-C 3.33Å; R311-A413 VanDerWaalsContact NH2-CB 3.26Å; E334-A413 HydrophobicContact CG-CB 4.23Å; E334-A413 WeakPolarHBondContact OE1-CB 3.48Å; E334-A413 WeakPolarHBondContact OE2-CB 3.14Å; A411-A413 VanDerWaalsContact C-N 3.34Å; A411-A413 PolarHBondContact O-N 2.95Å; A411-A413 VanDerWaalsContact O-N 3.07Å
414	V	68	Low	74.8	Confident	31 Å²	31	55.7 Å²	55.7	19%	0.188	31%	0.306	C	S	.	.	H	α-helix	trans	-79.5	-35.6	169.8	-176.9	0	0	0	0	109.9	L314 A411 Q412	L314-V414 HydrophobicContact CB-CG1 4.48Å; A411-V414 WeakPolarHBondContact O-CB 3.43Å; A411-V414 PolarHBondContact O-N 3.22Å; Q412-V414 PolarHBondContact O-N 3.41Å
415	T	63.6	Low	74.7	Confident	77 Å²	77	60.2 Å²	60.2	47%	0.472	33%	0.334	S	S	.	.	H	α-helix	trans	-92.9	-39.7	-171	-49.9	0	0	0	0	113.3	Q412	Q412-T415 PolarHBondContact O-N 2.78Å; Q412-T415 VanDerWaalsContact O-N 3.12Å
416	E	59.4	Low	74.5	Confident	65 Å²	65	61.6 Å²	61.6	30%	0.304	35%	0.348	S	S	.	.	S	Bend	trans	-113.9	11.8	-162.4	-69.2	-176.1	163.3	0	0	115.4	Q412 N418 H419	Q412-E416 PolarHBondContact O-N 3.4Å; E416-N418 PolarHBondContact O-N 2.98Å; E416-H419 WeakPolarHBondContact O-CB 3.28Å; E416-H419 PolarHBondContact O-N 3.35Å; E416-H419 VanDerWaalsContact O-N 3.12Å; E416-H419 PolarHBondContact O-ND1 3.14Å
417	G	52.9	Low	74.4	Confident	53 Å²	53	60.4 Å²	60.4	55%	0.546	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	26.8	94.7	169.3	0	0	0	0	0	116.2	H419	G417-H419 PolarHBondContact O-N 2.91Å; G417-H419 PolarHBondContact O-ND1 3.4Å
418	N	49.1	Very low	74.4	Confident	175 Å²	175	64 Å²	64	94%	0.936	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	-0.3	178.2	-92.3	5.8	0	0	0	118.3	E416	E416-N418 PolarHBondContact O-N 2.98Å
419	H	50.9	Low	74.4	Confident	151 Å²	151	70.3 Å²	70.3	70%	0.699	38%	0.383	S	S	*	.	S	Bend	trans	-77.1	152.4	172.2	-71.4	75.6	0	0	0	112	E416 G417 Q421	E416-H419 WeakPolarHBondContact O-CB 3.28Å; E416-H419 PolarHBondContact O-N 3.35Å; E416-H419 VanDerWaalsContact O-N 3.12Å; E416-H419 PolarHBondContact O-ND1 3.14Å; G417-H419 PolarHBondContact O-N 2.91Å; G417-H419 PolarHBondContact O-ND1 3.4Å; H419-Q421 PolarHBondContact O-N 3.41Å
420	Q	56.8	Low	74.3	Confident	184 Å²	184	72.3 Å²	72.3	86%	0.86	39%	0.392	S	S	*	.			trans	-45	130.5	-171	-82.1	161.2	-22.7	0	0	112.9	A422	Q420-A422 PolarHBondContact O-N 3.07Å
421	Q	64.4	Low	74.3	Confident	132 Å²	132	72.3 Å²	72.3	62%	0.617	39%	0.392	S	S	*	.			trans	-59.8	105.4	178	-59	-176.1	-8.8	0	0	109.4	H419 S423	H419-Q421 PolarHBondContact O-N 3.41Å; Q421-S423 PolarHBondContact O-N 3.41Å
422	A	69.6	Low	74.5	Confident	26 Å²	26	75.3 Å²	75.3	22%	0.215	41%	0.408	C	S	.	.			trans	-68.8	128.3	-178.5	0	0	0	0	0	110.2	Q412 Q420 V427	Q412-A422 PolarHBondContact NE2-O 3.27Å; Q420-A422 PolarHBondContact O-N 3.07Å; A422-V427 HydrophobicContact CB-CG2 3.91Å
423	S	83.8	Confident	74.9	Confident	74 Å²	74	80.4 Å²	80.4	52%	0.517	43%	0.432	S	S	.	.			trans	-58	158.6	171.3	177.5	0	0	0	0	111	Q421 T425 G426 V427	Q421-S423 PolarHBondContact O-N 3.41Å; S423-T425 PolarHBondContact O-N 3.36Å; S423-T425 PolarHBondContact OG-OG1 2.88Å; S423-G426 WeakPolarHBondContact O-CA 3.48Å; S423-G426 PolarHBondContact O-N 3.25Å; S423-V427 PolarHBondContact O-N 3.34Å
424	M	86.6	Confident	75.6	Confident	51 Å²	51	82.7 Å²	82.7	25%	0.251	44%	0.438	S	S	.	.	H	α-helix	trans	-49	-44.1	175.4	-176.6	-170.8	77.7	0	0	112	V344 P345 L348 V405 M409 G426 V427 F428	V344-M424 HydrophobicContact CG1-SD 4.22Å; P345-M424 HydrophobicContact CB-CG 4.2Å; P345-M424 HydrophobicContact CB-SD 3.92Å; P345-M424 HydrophobicContact CG-CG 4.28Å; P345-M424 HydrophobicContact CG-SD 4.33Å; L348-M424 HydrophobicContact CD1-CE 4.22Å; L348-M424 HydrophobicContact CD1-SD 4.11Å; V405-M424 HydrophobicContact CG1-CG 3.78Å; M409-M424 HydrophobicContact CE-CB 4.48Å; M409-M424 HydrophobicContact SD-CB 3.96Å; M409-M424 HydrophobicContact SD-CG 4.35Å; M424-G426 VanDerWaalsContact C-N 3.34Å; M424-V427 PolarHBondContact O-N 2.86Å; M424-F428 WeakPolarHBondContact O-CB 3.42Å; M424-F428 PolarHBondContact O-N 3.24Å
425	T	87.8	Confident	76.4	Confident	94 Å²	94	81.9 Å²	81.9	58%	0.577	43%	0.432	S	S	*	.	H	α-helix	trans	-68	-34.5	178	54.3	0	0	0	0	112.3	S423 R429	S423-T425 PolarHBondContact O-N 3.36Å; S423-T425 PolarHBondContact OG-OG1 2.88Å; T425-R429 WeakPolarHBondContact O-CB 3.39Å; T425-R429 PolarHBondContact O-N 2.96Å
426	G	88.3	Confident	77.5	Confident	30 Å²	30	78.7 Å²	78.7	31%	0.309	41%	0.414	S	S	.	.	H	α-helix	trans	-64	-49.6	174.6	0	0	0	0	0	111.7	S423 M424 F428 R429 Q430	S423-G426 WeakPolarHBondContact O-CA 3.48Å; S423-G426 PolarHBondContact O-N 3.25Å; M424-G426 VanDerWaalsContact C-N 3.34Å; G426-F428 PolarHBondContact O-N 3.48Å; G426-R429 PolarHBondContact O-N 3.45Å; G426-Q430 VanDerWaalsContact O-CB 3.29Å; G426-Q430 WeakPolarHBondContact O-CB 3.37Å; G426-Q430 PolarHBondContact O-N 2.82Å
427	V	88.6	Confident	78.9	Confident	3 Å²	3	80 Å²	80	2%	0.018	43%	0.429	C	S	.	.	H	α-helix	trans	-61.4	-45.8	176.8	176.6	0	0	0	0	111	V405 R408 M409 A422 S423 M424 R429 Q430 I431	V405-V427 HydrophobicContact CG1-CB 4.35Å; V405-V427 HydrophobicContact CG1-CG1 4.2Å; R408-V427 HydrophobicContact CB-CG1 3.88Å; M409-V427 HydrophobicContact CG-CG2 3.96Å; A422-V427 HydrophobicContact CB-CG2 3.91Å; S423-V427 PolarHBondContact O-N 3.34Å; M424-V427 PolarHBondContact O-N 2.86Å; V427-R429 PolarHBondContact O-N 3.06Å; V427-Q430 PolarHBondContact O-N 3.49Å; V427-I431 HydrophobicContact CG1-CD1 3.93Å; V427-I431 WeakPolarHBondContact O-CD1 3.22Å; V427-I431 VanDerWaalsContact O-CG1 3.23Å; V427-I431 WeakPolarHBondContact O-CG1 3.19Å; V427-I431 PolarHBondContact O-N 3.4Å
428	F	90.2	Very high	80.5	Confident	80 Å²	80	81.5 Å²	81.5	35%	0.351	44%	0.435	S	S	.	.	H	α-helix	trans	-60.9	-45.4	178.1	-173.4	-99.5	0	0	0	112	P401 V405 M424 G426 I431 L432 L440	P401-F428 HydrophobicContact CB-CE2 4.48Å; V405-F428 HydrophobicContact CG2-CB 4.19Å; V405-F428 HydrophobicContact CG2-CD2 3.9Å; M424-F428 WeakPolarHBondContact O-CB 3.42Å; M424-F428 PolarHBondContact O-N 3.24Å; G426-F428 PolarHBondContact O-N 3.48Å; F428-I431 PolarHBondContact O-N 3.25Å; F428-L432 HydrophobicContact CD1-CD1 3.84Å; F428-L432 HydrophobicContact CE1-CD1 3.35Å; F428-L432 HydrophobicContact CE1-CG 4.24Å; F428-L432 HydrophobicContact CZ-CD1 3.92Å; F428-L432 PolarHBondContact O-N 3.22Å; F428-L432 VanDerWaalsContact O-N 3.08Å; F428-L440 HydrophobicContact CD2-CD2 3.89Å; F428-L440 HydrophobicContact CE2-CD1 3.83Å; F428-L440 HydrophobicContact CE2-CD2 3.7Å; F428-L440 HydrophobicContact CE2-CG 4.45Å; F428-L440 HydrophobicContact CZ-CD1 4.1Å
429	R	90.4	Very high	82.2	Confident	163 Å²	163	73.2 Å²	73.2	62%	0.615	39%	0.392	S	S	*	.	H	α-helix	trans	-63.7	-42.6	176.4	-176.3	175.1	-178.5	160.4	0.7	112	T425 G426 V427 I431 L432 Q433	T425-R429 WeakPolarHBondContact O-CB 3.39Å; T425-R429 PolarHBondContact O-N 2.96Å; G426-R429 PolarHBondContact O-N 3.45Å; V427-R429 PolarHBondContact O-N 3.06Å; R429-I431 VanDerWaalsContact C-N 3.34Å; R429-I431 PolarHBondContact O-N 3.2Å; R429-L432 PolarHBondContact O-N 3.45Å; R429-Q433 HydrophobicContact CG-CG 4.26Å; R429-Q433 VanDerWaalsContact NE-NE2 3.11Å; R429-Q433 WeakPolarHBondContact O-CB 3.39Å; R429-Q433 VanDerWaalsContact O-CG 3.3Å; R429-Q433 WeakPolarHBondContact O-CG 3.23Å; R429-Q433 PolarHBondContact O-N 3.24Å
430	Q	87.8	Confident	84	Confident	66 Å²	66	66.7 Å²	66.7	31%	0.308	36%	0.362	S	S	.	.	H	α-helix	trans	-61.6	-41.5	178	-173.7	-175.3	8.7	0	0	111.4	G426 V427 Q433 N434	G426-Q430 VanDerWaalsContact O-CB 3.29Å; G426-Q430 WeakPolarHBondContact O-CB 3.37Å; G426-Q430 PolarHBondContact O-N 2.82Å; V427-Q430 PolarHBondContact O-N 3.49Å; Q430-Q433 PolarHBondContact O-N 2.92Å; Q430-N434 WeakPolarHBondContact CG-ND2 3.41Å; Q430-N434 VanDerWaalsContact O-CB 3.27Å; Q430-N434 WeakPolarHBondContact O-CB 3.34Å; Q430-N434 PolarHBondContact O-N 3.18Å
431	I	88.1	Confident	85.6	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.8	-50.2	174.6	-63.9	158.9	0	0	0	110.1	L404 V405 V427 F428 R429 Q433 E435 G436 L440	L404-I431 HydrophobicContact CD2-CD1 4.07Å; L404-I431 HydrophobicContact CD2-CG2 4.44Å; L404-I431 HydrophobicContact CG-CD1 4.49Å; V405-I431 HydrophobicContact CG2-CD1 4.07Å; V427-I431 HydrophobicContact CG1-CD1 3.93Å; V427-I431 WeakPolarHBondContact O-CD1 3.22Å; V427-I431 VanDerWaalsContact O-CG1 3.23Å; V427-I431 WeakPolarHBondContact O-CG1 3.19Å; V427-I431 PolarHBondContact O-N 3.4Å; F428-I431 PolarHBondContact O-N 3.25Å; R429-I431 VanDerWaalsContact C-N 3.34Å; R429-I431 PolarHBondContact O-N 3.2Å; I431-Q433 VanDerWaalsContact C-N 3.31Å; I431-Q433 PolarHBondContact O-N 3.18Å; I431-E435 HydrophobicContact CG2-CB 4.46Å; I431-E435 WeakPolarHBondContact O-CA 3.49Å; I431-E435 VanDerWaalsContact O-CB 3.31Å; I431-E435 WeakPolarHBondContact O-CB 3.49Å; I431-E435 PolarHBondContact O-N 2.87Å; I431-G436 PolarHBondContact O-N 3.35Å; I431-L440 HydrophobicContact CB-CD2 4.36Å; I431-L440 HydrophobicContact CD1-CD2 4.28Å; I431-L440 HydrophobicContact CG2-CD2 3.82Å; I431-L440 HydrophobicContact CG2-CG 4.18Å
432	L	89.4	Confident	86.7	Confident	64 Å²	64	58.2 Å²	58.2	34%	0.335	32%	0.317	S	S	.	.	H	α-helix	trans	-61.8	-38.6	-178.8	-75.3	178.8	0	0	0	112.8	F428 R429 G436 P437 L440	F428-L432 HydrophobicContact CD1-CD1 3.84Å; F428-L432 HydrophobicContact CE1-CD1 3.35Å; F428-L432 HydrophobicContact CE1-CG 4.24Å; F428-L432 HydrophobicContact CZ-CD1 3.92Å; F428-L432 PolarHBondContact O-N 3.22Å; F428-L432 VanDerWaalsContact O-N 3.08Å; R429-L432 PolarHBondContact O-N 3.45Å; L432-G436 VanDerWaalsContact O-CA 3.25Å; L432-G436 WeakPolarHBondContact O-CA 3.49Å; L432-G436 PolarHBondContact O-N 2.85Å; L432-P437 HydrophobicContact CD2-CB 4.45Å; L432-P437 HydrophobicContact CD2-CG 4.35Å; L432-L440 HydrophobicContact CD2-CD1 3.84Å; L432-L440 HydrophobicContact CD2-CG 4.4Å
433	Q	87.9	Confident	87.5	Confident	126 Å²	126	57.1 Å²	57.1	59%	0.589	31%	0.308	S	S	*	.	H	α-helix	trans	-74.9	-44.5	-179.7	-71.9	179.4	-23.3	0	0	112.7	R429 Q430 I431	R429-Q433 HydrophobicContact CG-CG 4.26Å; R429-Q433 VanDerWaalsContact NE-NE2 3.11Å; R429-Q433 WeakPolarHBondContact O-CB 3.39Å; R429-Q433 VanDerWaalsContact O-CG 3.3Å; R429-Q433 WeakPolarHBondContact O-CG 3.23Å; R429-Q433 PolarHBondContact O-N 3.24Å; Q430-Q433 PolarHBondContact O-N 2.92Å; I431-Q433 VanDerWaalsContact C-N 3.31Å; I431-Q433 PolarHBondContact O-N 3.18Å
434	N	85.2	Confident	87.6	Confident	92 Å²	92	55 Å²	55	49%	0.492	29%	0.291	S	S	.	.	H	α-helix	trans	-87.2	-29.9	-172.8	-65.2	-12.7	0	0	0	113	Q430	Q430-N434 WeakPolarHBondContact CG-ND2 3.41Å; Q430-N434 VanDerWaalsContact O-CB 3.27Å; Q430-N434 WeakPolarHBondContact O-CB 3.34Å; Q430-N434 PolarHBondContact O-N 3.18Å
435	E	83.7	Confident	87.7	Confident	14 Å²	14	55.3 Å²	55.3	7%	0.065	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-24.6	-170	-59.2	170.2	-154.4	0	0	112.5	R224 R408 I431 R442	R224-E435 PolarHBondContact NE-O 3.49Å; R408-E435 IonicContact CZ-OE1 2.59Å; R408-E435 IonicContact CZ-OE2 2.98Å; R408-E435 IonicContact NH1-OE1 2.99Å; R408-E435 PolarHBondContact NH1-OE1 3.2Å; R408-E435 IonicContact NH1-OE2 3.58Å; R408-E435 IonicContact NH2-OE1 2.96Å; R408-E435 PolarHBondContact NH2-OE1 3.01Å; R408-E435 IonicContact NH2-OE2 2.89Å; R408-E435 PolarHBondContact NH2-OE2 3.35Å; I431-E435 HydrophobicContact CG2-CB 4.46Å; I431-E435 WeakPolarHBondContact O-CA 3.49Å; I431-E435 VanDerWaalsContact O-CB 3.31Å; I431-E435 WeakPolarHBondContact O-CB 3.49Å; I431-E435 PolarHBondContact O-N 2.87Å; E435-R442 IonicContact OE1-NH1 2.62Å; E435-R442 IonicContact OE2-CZ 3.75Å; E435-R442 IonicContact OE2-NH1 3.92Å; E435-R442 PolarHBondContact OE2-NH1 3.37Å
436	G	87.1	Confident	87.6	Confident	9 Å²	9	50.9 Å²	50.9	9%	0.093	28%	0.275	C	S	.	.			trans	82.9	178.7	-174.1	0	0	0	0	0	113	I431 L432 A438 G439	I431-G436 PolarHBondContact O-N 3.35Å; L432-G436 VanDerWaalsContact O-CA 3.25Å; L432-G436 WeakPolarHBondContact O-CA 3.49Å; L432-G436 PolarHBondContact O-N 2.85Å; G436-A438 VanDerWaalsContact C-N 3.29Å; G436-A438 PolarHBondContact O-N 3.36Å; G436-G439 PolarHBondContact O-N 3.46Å
437	P	87.4	Confident	87.5	Confident	94 Å²	94	49.5 Å²	49.5	61%	0.61	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-59.8	-34.8	-176.7	-25	34.5	0	0	0	114.1	L432 G439 L440	L432-P437 HydrophobicContact CD2-CB 4.45Å; L432-P437 HydrophobicContact CD2-CG 4.35Å; P437-G439 PolarHBondContact O-N 2.85Å; P437-L440 WeakPolarHBondContact O-CB 3.46Å; P437-L440 PolarHBondContact O-N 3.48Å; P437-L440 VanDerWaalsContact O-N 3.16Å
438	A	86.8	Confident	87.4	Confident	83 Å²	83	52.5 Å²	52.5	69%	0.686	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-64.4	-23.3	176	0	0	0	0	0	112.9	G436 L440 Y441	G436-A438 VanDerWaalsContact C-N 3.29Å; G436-A438 PolarHBondContact O-N 3.36Å; A438-L440 PolarHBondContact O-N 2.89Å; A438-Y441 PolarHBondContact O-N 3.03Å
439	G	85.6	Confident	87.2	Confident	2 Å²	2	53 Å²	53	2%	0.021	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-60.9	-30.3	174.7	0	0	0	0	0	112.9	L404 G436 P437 Y441 R442	L404-G439 WeakPolarHBondContact CD2-O 3.49Å; G436-G439 PolarHBondContact O-N 3.46Å; P437-G439 PolarHBondContact O-N 2.85Å; G439-Y441 PolarHBondContact O-N 3.18Å; G439-Y441 VanDerWaalsContact O-N 3.12Å; G439-R442 WeakPolarHBondContact O-CG 3.47Å; G439-R442 PolarHBondContact O-N 3.41Å
440	L	89.4	Confident	87	Confident	13 Å²	13	46 Å²	46	7%	0.068	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-62.7	-19.4	179.1	-67.8	170.3	0	0	0	113.5	Y400 P401 L404 F428 I431 L432 P437 A438	Y400-L440 WeakPolarHBondContact CD1-O 3.32Å; Y400-L440 WeakPolarHBondContact CE1-O 3.25Å; P401-L440 HydrophobicContact CB-CB 4.17Å; P401-L440 HydrophobicContact CB-CD1 4.25Å; P401-L440 HydrophobicContact CB-CD2 4.2Å; P401-L440 HydrophobicContact CB-CG 4.44Å; P401-L440 HydrophobicContact CG-CB 4.29Å; L404-L440 VanDerWaalsContact CD2-CA 3.49Å; L404-L440 HydrophobicContact CD2-CD2 4.48Å; L404-L440 WeakPolarHBondContact CD2-O 3.42Å; F428-L440 HydrophobicContact CD2-CD2 3.89Å; F428-L440 HydrophobicContact CE2-CD1 3.83Å; F428-L440 HydrophobicContact CE2-CD2 3.7Å; F428-L440 HydrophobicContact CE2-CG 4.45Å; F428-L440 HydrophobicContact CZ-CD1 4.1Å; I431-L440 HydrophobicContact CB-CD2 4.36Å; I431-L440 HydrophobicContact CD1-CD2 4.28Å; I431-L440 HydrophobicContact CG2-CD2 3.82Å; I431-L440 HydrophobicContact CG2-CG 4.18Å; L432-L440 HydrophobicContact CD2-CD1 3.84Å; L432-L440 HydrophobicContact CD2-CG 4.4Å; P437-L440 WeakPolarHBondContact O-CB 3.46Å; P437-L440 PolarHBondContact O-N 3.48Å; P437-L440 VanDerWaalsContact O-N 3.16Å; A438-L440 PolarHBondContact O-N 2.89Å
441	Y	90.1	Very high	86.6	Confident	101 Å²	101	43.4 Å²	43.4	40%	0.396	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-105	14.8	-177.6	-63.3	-86.3	0	0	0	113.6	L397 Y400 A438 G439 L444	L397-Y441 WeakPolarHBondContact O-CE1 3.29Å; Y400-Y441 HydrophobicContact CD1-CD1 4.01Å; Y400-Y441 HydrophobicContact CD1-CG 4.5Å; Y400-Y441 HydrophobicContact CG-CD1 4.33Å; A438-Y441 PolarHBondContact O-N 3.03Å; G439-Y441 PolarHBondContact O-N 3.18Å; G439-Y441 VanDerWaalsContact O-N 3.12Å; Y441-L444 HydrophobicContact CD1-CD2 4.26Å; Y441-L444 WeakPolarHBondContact O-CB 3.48Å; Y441-L444 PolarHBondContact O-N 3.35Å
442	R	87.6	Confident	86.3	Confident	37 Å²	37	48.7 Å²	48.7	14%	0.14	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	137.9	176.8	-80	-170.9	163.8	125.2	6.4	112.3	Q219 G222 S223 Y400 E435 G439 L444	Q219-R442 VanDerWaalsContact CG-O 3.27Å; Q219-R442 WeakPolarHBondContact CG-O 3.44Å; G222-R442 PolarHBondContact O-NH1 3.26Å; G222-R442 VanDerWaalsContact O-NH1 3.1Å; S223-R442 VanDerWaalsContact C-CZ 3.5Å; S223-R442 VanDerWaalsContact CA-NH1 3.26Å; S223-R442 PolarHBondContact O-NH2 3.23Å; Y400-R442 VanDerWaalsContact CE1-O 3.3Å; Y400-R442 WeakPolarHBondContact CE1-O 3.29Å; Y400-R442 PolarHBondContact OH-O 3.07Å; E435-R442 IonicContact OE1-NH1 2.62Å; E435-R442 IonicContact OE2-CZ 3.75Å; E435-R442 IonicContact OE2-NH1 3.92Å; E435-R442 PolarHBondContact OE2-NH1 3.37Å; G439-R442 WeakPolarHBondContact O-CG 3.47Å; G439-R442 PolarHBondContact O-N 3.41Å; R442-L444 VanDerWaalsContact C-N 3.3Å
443	G	85.3	Confident	85.9	Confident	3 Å²	3	48 Å²	48	3%	0.031	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	2.4	-176.6	0	0	0	0	0	114.6	Y400 P446 N447	Y400-G443 WeakPolarHBondContact OH-CA 3.39Å; Y400-G443 PolarHBondContact OH-O 3.38Å; G443-P446 VanDerWaalsContact O-CD 3.28Å; G443-P446 WeakPolarHBondContact O-CD 3.36Å; G443-P446 VanDerWaalsContact O-CG 3.26Å; G443-P446 WeakPolarHBondContact O-CG 3.33Å; G443-N447 WeakPolarHBondContact O-CB 3.47Å; G443-N447 PolarHBondContact O-N 3.28Å
444	L	86.8	Confident	85.6	Confident	29 Å²	29	42.6 Å²	42.6	15%	0.152	25%	0.245	C	C	.	.	H	α-helix	trans	-65.9	-39.9	179.3	-174.8	69.1	0	0	0	111.6	L397 Y400 Y441 R442 N447 F448	L397-L444 HydrophobicContact CD2-CD1 4.25Å; L397-L444 HydrophobicContact CD2-CD2 3.7Å; Y400-L444 HydrophobicContact CD2-CD1 3.54Å; Y400-L444 HydrophobicContact CE1-CB 4.29Å; Y400-L444 HydrophobicContact CE2-CB 4.23Å; Y400-L444 HydrophobicContact CE2-CD1 3.59Å; Y400-L444 HydrophobicContact CG-CD1 4.07Å; Y400-L444 PolarHBondContact OH-N 3.37Å; Y441-L444 HydrophobicContact CD1-CD2 4.26Å; Y441-L444 WeakPolarHBondContact O-CB 3.48Å; Y441-L444 PolarHBondContact O-N 3.35Å; R442-L444 VanDerWaalsContact C-N 3.3Å; L444-N447 WeakPolarHBondContact O-CB 3.25Å; L444-N447 PolarHBondContact O-N 2.68Å; L444-N447 VanDerWaalsContact O-N 3.17Å; L444-F448 HydrophobicContact CD1-CD2 4.03Å; L444-F448 HydrophobicContact CD1-CE2 3.4Å; L444-F448 HydrophobicContact CD1-CZ 3.88Å; L444-F448 HydrophobicContact CD2-CE2 3.82Å; L444-F448 HydrophobicContact CG-CD2 3.77Å; L444-F448 HydrophobicContact CG-CE2 3.38Å; L444-F448 HydrophobicContact CG-CZ 4.34Å; L444-F448 WeakPolarHBondContact O-CD2 3.39Å; L444-F448 PolarHBondContact O-N 3.12Å
445	A	87.4	Confident	85.1	Confident	59 Å²	59	39.6 Å²	39.6	49%	0.488	23%	0.23	S	C	.	.	H	α-helix	trans	-59.6	-53.8	177.6	0	0	0	0	0	113.6	I230 N447 F448 L449	I230-A445 HydrophobicContact CD1-CB 4.13Å; A445-N447 PolarHBondContact O-N 3.23Å; A445-F448 PolarHBondContact O-N 2.88Å; A445-L449 WeakPolarHBondContact O-CB 3.5Å; A445-L449 PolarHBondContact O-N 3.48Å
446	P	86.4	Confident	84.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-26.6	174.7	24.1	-33.2	0	0	0	112.7	L214 K215 M218 G443 K450	L214-P446 HydrophobicContact CD2-CB 4.12Å; L214-P446 HydrophobicContact CG-CB 4.37Å; K215-P446 HydrophobicContact CB-CB 4.32Å; K215-P446 HydrophobicContact CB-CG 4.06Å; M218-P446 HydrophobicContact SD-CG 3.91Å; G443-P446 VanDerWaalsContact O-CD 3.28Å; G443-P446 WeakPolarHBondContact O-CD 3.36Å; G443-P446 VanDerWaalsContact O-CG 3.26Å; G443-P446 WeakPolarHBondContact O-CG 3.33Å; P446-K450 WeakPolarHBondContact O-CG 3.44Å; P446-K450 PolarHBondContact O-N 3.06Å; P446-K450 VanDerWaalsContact O-N 3.16Å
447	N	86.4	Confident	84.6	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-66.8	-43.1	174.2	-169.7	75.9	0	0	0	112.6	K215 Q396 G443 L444 A445 K450 V451	K215-N447 HydrophobicContact CD-CB 4.04Å; K215-N447 WeakPolarHBondContact CE-OD1 3.31Å; K215-N447 PolarHBondContact NZ-OD1 3.48Å; Q396-N447 PolarHBondContact NE2-ND2 3.23Å; Q396-N447 PolarHBondContact OE1-ND2 3.16Å; G443-N447 WeakPolarHBondContact O-CB 3.47Å; G443-N447 PolarHBondContact O-N 3.28Å; L444-N447 WeakPolarHBondContact O-CB 3.25Å; L444-N447 PolarHBondContact O-N 2.68Å; L444-N447 VanDerWaalsContact O-N 3.17Å; A445-N447 PolarHBondContact O-N 3.23Å; N447-K450 WeakPolarHBondContact O-CG 3.31Å; N447-K450 WeakPolarHBondContact OD1-CE 3.5Å; N447-V451 WeakPolarHBondContact O-CG2 3.43Å
448	F	86.2	Confident	84.3	Confident	66 Å²	66	39.5 Å²	39.5	29%	0.289	23%	0.227	S	C	.	.	H	α-helix	trans	-71.8	-38.7	174	-73.7	-56.9	0	0	0	112.3	V170 T393 L397 L444 A445 K450 V451	V170-F448 HydrophobicContact CG1-CD1 3.97Å; V170-F448 HydrophobicContact CG1-CE1 3.86Å; T393-F448 HydrophobicContact CG2-CE1 3.86Å; T393-F448 HydrophobicContact CG2-CZ 3.81Å; L397-F448 HydrophobicContact CD2-CE2 4.47Å; L397-F448 HydrophobicContact CD2-CZ 4.38Å; L444-F448 HydrophobicContact CD1-CD2 4.03Å; L444-F448 HydrophobicContact CD1-CE2 3.4Å; L444-F448 HydrophobicContact CD1-CZ 3.88Å; L444-F448 HydrophobicContact CD2-CE2 3.82Å; L444-F448 HydrophobicContact CG-CD2 3.77Å; L444-F448 HydrophobicContact CG-CE2 3.38Å; L444-F448 HydrophobicContact CG-CZ 4.34Å; L444-F448 WeakPolarHBondContact O-CD2 3.39Å; L444-F448 PolarHBondContact O-N 3.12Å; A445-F448 PolarHBondContact O-N 2.88Å; F448-K450 PolarHBondContact O-N 3.39Å; F448-V451 PolarHBondContact O-N 2.97Å; F448-V451 VanDerWaalsContact O-N 3.14Å
449	L	87.1	Confident	83.9	Confident	91 Å²	91	41.8 Å²	41.8	48%	0.476	22%	0.219	S	C	.	.	H	α-helix	trans	-60.7	-32.4	-179.5	-173.1	62.7	0	0	0	112.5	L211 I230 A445 P453	L211-L449 HydrophobicContact CD1-CB 4.45Å; L211-L449 HydrophobicContact CD1-CD2 4.32Å; L211-L449 HydrophobicContact CD1-CG 4.07Å; L211-L449 HydrophobicContact CD2-CD2 3.89Å; L211-L449 HydrophobicContact CD2-CG 4.5Å; I230-L449 HydrophobicContact CD1-CD2 4.48Å; A445-L449 WeakPolarHBondContact O-CB 3.5Å; A445-L449 PolarHBondContact O-N 3.48Å; L449-P453 WeakPolarHBondContact O-CD 3.45Å; L449-P453 WeakPolarHBondContact O-CG 3.1Å
450	K	85.3	Confident	83.7	Confident	17 Å²	17	46.3 Å²	46.3	7%	0.074	25%	0.246	C	C	.	.	H	α-helix	trans	-78.8	-21.8	178.8	69	166.9	-163.6	174.8	0	114.4	E172 T208 L211 D212 P446 N447 F448 P453 A454	E172-K450 IonicContact OE1-NZ 3.17Å; T208-K450 HydrophobicContact CG2-CB 4.49Å; L211-K450 HydrophobicContact CB-CB 3.87Å; L211-K450 HydrophobicContact CD1-CB 3.81Å; D212-K450 WeakPolarHBondContact OD1-CD 3.4Å; D212-K450 WeakPolarHBondContact OD1-CE 3.23Å; D212-K450 IonicContact OD1-NZ 3.65Å; D212-K450 PolarHBondContact OD1-NZ 3.21Å; P446-K450 WeakPolarHBondContact O-CG 3.44Å; P446-K450 PolarHBondContact O-N 3.06Å; P446-K450 VanDerWaalsContact O-N 3.16Å; N447-K450 WeakPolarHBondContact O-CG 3.31Å; N447-K450 WeakPolarHBondContact OD1-CE 3.5Å; F448-K450 PolarHBondContact O-N 3.39Å; K450-P453 WeakPolarHBondContact O-CD 3.37Å; K450-A454 WeakPolarHBondContact O-CB 3.33Å; K450-A454 PolarHBondContact O-N 3.41Å
451	V	79.5	Confident	83.5	Confident	10 Å²	10	47.1 Å²	47.1	6%	0.061	25%	0.252	C	S	.	.	H	α-helix	trans	-67.7	-50.9	-168.5	169.4	0	0	0	0	111	F168 V170 N447 F448 A454 V455	F168-V451 HydrophobicContact CD1-CG1 4.23Å; F168-V451 HydrophobicContact CE1-CG1 3.42Å; F168-V451 VanDerWaalsContact CE1-CG1 3.42Å; F168-V451 HydrophobicContact CZ-CG1 3.96Å; V170-V451 HydrophobicContact CB-CG1 4.45Å; V170-V451 HydrophobicContact CB-CG2 4.48Å; V170-V451 HydrophobicContact CG1-CB 4.39Å; V170-V451 HydrophobicContact CG1-CG1 4.14Å; V170-V451 HydrophobicContact CG1-CG2 3.63Å; V170-V451 HydrophobicContact CG2-CG1 4.35Å; N447-V451 WeakPolarHBondContact O-CG2 3.43Å; F448-V451 PolarHBondContact O-N 2.97Å; F448-V451 VanDerWaalsContact O-N 3.14Å; V451-A454 PolarHBondContact O-N 3.18Å; V451-V455 HydrophobicContact CG1-CG2 4.31Å; V451-V455 VanDerWaalsContact O-CG2 3.27Å; V451-V455 WeakPolarHBondContact O-CG2 3.27Å; V451-V455 PolarHBondContact O-N 2.95Å
452	I	80.6	Confident	83.1	Confident	111 Å²	111	43.7 Å²	43.7	57%	0.569	24%	0.238	S	C	*	.	H	α-helix	trans	-60.8	-49.4	-178.8	-61.3	168.9	0	0	0	111.1	F168 A454 S456	F168-I452 HydrophobicContact CZ-CG1 4.45Å; I452-A454 PolarHBondContact O-N 3.02Å; I452-S456 VanDerWaalsContact O-CB 3.31Å; I452-S456 WeakPolarHBondContact O-CB 3.25Å; I452-S456 PolarHBondContact O-N 3.26Å; I452-S456 PolarHBondContact O-OG 3.24Å
453	P	82.9	Confident	82.7	Confident	50 Å²	50	44.3 Å²	44.3	33%	0.325	24%	0.242	S	C	.	.	H	α-helix	trans	-60.6	-41.8	174.2	-24.7	34.4	0	0	0	113.3	T208 L449 K450 S456 I457	T208-P453 HydrophobicContact CG2-CB 4.19Å; L449-P453 WeakPolarHBondContact O-CD 3.45Å; L449-P453 WeakPolarHBondContact O-CG 3.1Å; K450-P453 WeakPolarHBondContact O-CD 3.37Å; P453-S456 PolarHBondContact O-N 3.35Å; P453-I457 HydrophobicContact CB-CD1 4.48Å; P453-I457 WeakPolarHBondContact O-CB 3.42Å; P453-I457 WeakPolarHBondContact O-CD1 3.43Å; P453-I457 WeakPolarHBondContact O-CG1 3.48Å; P453-I457 PolarHBondContact O-N 3.26Å
454	A	81	Confident	82.7	Confident	12 Å²	12	49.3 Å²	49.3	10%	0.099	27%	0.265	C	S	.	.	H	α-helix	trans	-59	-52.9	-179.9	0	0	0	0	0	110.9	S204 T208 K450 V451 I452 S456 S458	S204-A454 VanDerWaalsContact OG-CA 3.24Å; S204-A454 WeakPolarHBondContact OG-CA 3.35Å; S204-A454 PolarHBondContact OG-O 3.5Å; T208-A454 HydrophobicContact CG2-CB 3.93Å; K450-A454 WeakPolarHBondContact O-CB 3.33Å; K450-A454 PolarHBondContact O-N 3.41Å; V451-A454 PolarHBondContact O-N 3.18Å; I452-A454 PolarHBondContact O-N 3.02Å; A454-S456 PolarHBondContact O-N 2.94Å; A454-S458 WeakPolarHBondContact O-CB 3.45Å; A454-S458 PolarHBondContact O-N 3.43Å; A454-S458 PolarHBondContact O-OG 3Å
455	V	74.1	Confident	82.6	Confident	30 Å²	30	50.3 Å²	50.3	18%	0.182	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-44.1	-178.2	-179.5	0	0	0	0	110.9	F168 L174 V451 S458 Y459	F168-V455 HydrophobicContact CD2-CB 4.39Å; F168-V455 HydrophobicContact CD2-CG1 3.84Å; F168-V455 HydrophobicContact CD2-CG2 4.12Å; F168-V455 HydrophobicContact CE1-CG2 4.36Å; F168-V455 HydrophobicContact CE2-CB 3.77Å; F168-V455 HydrophobicContact CE2-CG1 3.57Å; F168-V455 HydrophobicContact CE2-CG2 3.72Å; F168-V455 HydrophobicContact CZ-CB 4.19Å; F168-V455 HydrophobicContact CZ-CG1 4.46Å; F168-V455 HydrophobicContact CZ-CG2 3.85Å; L174-V455 HydrophobicContact CD1-CG2 4.02Å; L174-V455 HydrophobicContact CD2-CB 4.24Å; L174-V455 HydrophobicContact CD2-CG2 3.67Å; L174-V455 HydrophobicContact CG-CG2 4.43Å; V451-V455 HydrophobicContact CG1-CG2 4.31Å; V451-V455 VanDerWaalsContact O-CG2 3.27Å; V451-V455 WeakPolarHBondContact O-CG2 3.27Å; V451-V455 PolarHBondContact O-N 2.95Å; V455-S458 WeakPolarHBondContact O-CB 3.48Å; V455-S458 PolarHBondContact O-N 2.83Å; V455-Y459 WeakPolarHBondContact O-CB 3.39Å; V455-Y459 PolarHBondContact O-N 3.44Å
456	S	79	Confident	82.2	Confident	62 Å²	62	48 Å²	48	43%	0.434	25%	0.249	S	C	.	.	H	α-helix	trans	-63.3	-46.7	-178	-55.2	0	0	0	0	112	I452 P453 A454 Y459 V460	I452-S456 VanDerWaalsContact O-CB 3.31Å; I452-S456 WeakPolarHBondContact O-CB 3.25Å; I452-S456 PolarHBondContact O-N 3.26Å; I452-S456 PolarHBondContact O-OG 3.24Å; P453-S456 PolarHBondContact O-N 3.35Å; A454-S456 PolarHBondContact O-N 2.94Å; S456-Y459 PolarHBondContact O-N 3.13Å; S456-V460 WeakPolarHBondContact O-CG2 3.3Å; S456-V460 PolarHBondContact O-N 3.24Å; S456-V460 VanDerWaalsContact O-N 3.11Å
457	I	82.4	Confident	82.1	Confident	49 Å²	49	52.6 Å²	52.6	25%	0.251	28%	0.277	S	S	.	.	H	α-helix	trans	-66.7	-44.7	179	-66.4	167.3	0	0	0	110	V203 C207 P453 Y459 V460 V461	V203-I457 HydrophobicContact CG1-CG2 4.03Å; C207-I457 HydrophobicContact CB-CD1 3.59Å; P453-I457 HydrophobicContact CB-CD1 4.48Å; P453-I457 WeakPolarHBondContact O-CB 3.42Å; P453-I457 WeakPolarHBondContact O-CD1 3.43Å; P453-I457 WeakPolarHBondContact O-CG1 3.48Å; P453-I457 PolarHBondContact O-N 3.26Å; I457-Y459 VanDerWaalsContact C-N 3.29Å; I457-Y459 PolarHBondContact O-N 2.94Å; I457-V460 PolarHBondContact O-N 3.37Å; I457-V461 HydrophobicContact CG2-CG2 3.97Å; I457-V461 WeakPolarHBondContact O-CB 3.31Å; I457-V461 WeakPolarHBondContact O-CG2 3.44Å; I457-V461 PolarHBondContact O-N 3.49Å
458	S	80.9	Confident	82	Confident	4 Å²	4	59.1 Å²	59.1	3%	0.028	31%	0.308	C	S	.	.	H	α-helix	trans	-52.5	-47.6	174.9	-81.9	0	0	0	0	112.1	M175 A200 S204 A454 V455 Y462	M175-S458 WeakPolarHBondContact SD-CB 3.48Å; M175-S458 PolarHBondContact SD-OG 3.2Å; A200-S458 WeakPolarHBondContact CB-O 3.38Å; S204-S458 WeakPolarHBondContact CB-OG 3.25Å; S204-S458 PolarHBondContact OG-OG 3.24Å; A454-S458 WeakPolarHBondContact O-CB 3.45Å; A454-S458 PolarHBondContact O-N 3.43Å; A454-S458 PolarHBondContact O-OG 3Å; V455-S458 WeakPolarHBondContact O-CB 3.48Å; V455-S458 PolarHBondContact O-N 2.83Å; S458-Y462 WeakPolarHBondContact O-CB 3.42Å; S458-Y462 PolarHBondContact O-N 3.01Å
459	Y	78.2	Confident	81.8	Confident	130 Å²	130	58.5 Å²	58.5	51%	0.51	31%	0.307	S	S	.	.	H	α-helix	trans	-64.8	-51.9	-179.8	-176.4	-98.3	0	0	0	112	V455 S456 I457 V461 Y462 E463	V455-Y459 WeakPolarHBondContact O-CB 3.39Å; V455-Y459 PolarHBondContact O-N 3.44Å; S456-Y459 PolarHBondContact O-N 3.13Å; I457-Y459 VanDerWaalsContact C-N 3.29Å; I457-Y459 PolarHBondContact O-N 2.94Å; Y459-V461 VanDerWaalsContact C-N 3.31Å; Y459-V461 PolarHBondContact O-N 3.06Å; Y459-Y462 PolarHBondContact O-N 3.18Å; Y459-E463 HydrophobicContact CD1-CG 4.35Å; Y459-E463 HydrophobicContact CE1-CG 3.92Å; Y459-E463 HydrophobicContact CE2-CG 4.26Å; Y459-E463 PolarHBondContact O-N 2.99Å
460	V	81.9	Confident	81.3	Confident	98 Å²	98	56.2 Å²	56.2	59%	0.594	31%	0.306	S	S	*	.	H	α-helix	trans	-59.9	-42.7	-179	173	0	0	0	0	111.4	S456 I457 H464	S456-V460 WeakPolarHBondContact O-CG2 3.3Å; S456-V460 PolarHBondContact O-N 3.24Å; S456-V460 VanDerWaalsContact O-N 3.11Å; I457-V460 PolarHBondContact O-N 3.37Å; V460-H464 WeakPolarHBondContact O-CB 3.43Å; V460-H464 PolarHBondContact O-N 3.5Å; V460-H464 VanDerWaalsContact O-N 3.07Å
461	V	83.8	Confident	80.5	Confident	30 Å²	30	55.8 Å²	55.8	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-70.5	-38.4	179.2	178.1	0	0	0	0	110.9	A200 V203 I457 Y459 H464 L465	A200-V461 HydrophobicContact CB-CB 4.09Å; A200-V461 HydrophobicContact CB-CG1 4Å; V203-V461 HydrophobicContact CB-CG1 4.21Å; V203-V461 HydrophobicContact CB-CG2 4.21Å; V203-V461 HydrophobicContact CG1-CG2 3.83Å; V203-V461 HydrophobicContact CG2-CG1 4.14Å; I457-V461 HydrophobicContact CG2-CG2 3.97Å; I457-V461 WeakPolarHBondContact O-CB 3.31Å; I457-V461 WeakPolarHBondContact O-CG2 3.44Å; I457-V461 PolarHBondContact O-N 3.49Å; Y459-V461 VanDerWaalsContact C-N 3.31Å; Y459-V461 PolarHBondContact O-N 3.06Å; V461-H464 PolarHBondContact O-N 3.46Å; V461-L465 HydrophobicContact CG1-CD1 3.68Å; V461-L465 HydrophobicContact CG1-CG 4.03Å; V461-L465 WeakPolarHBondContact O-CB 3.46Å; V461-L465 VanDerWaalsContact O-CG 3.26Å; V461-L465 WeakPolarHBondContact O-CG 3.5Å; V461-L465 PolarHBondContact O-N 3.41Å
462	Y	82.4	Confident	79.2	Confident	29 Å²	29	60.8 Å²	60.8	11%	0.114	34%	0.335	C	S	.	.	H	α-helix	trans	-60.7	-50	176	178.4	-101.2	0	0	0	111.2	H193 A196 S458 Y459 H464 L465 K466	H193-Y462 PolarHBondContact ND1-OH 3.45Å; A196-Y462 HydrophobicContact CB-CD2 3.86Å; A196-Y462 HydrophobicContact CB-CE2 3.84Å; S458-Y462 WeakPolarHBondContact O-CB 3.42Å; S458-Y462 PolarHBondContact O-N 3.01Å; Y459-Y462 PolarHBondContact O-N 3.18Å; Y462-H464 VanDerWaalsContact C-N 3.33Å; Y462-H464 PolarHBondContact O-N 2.72Å; Y462-L465 PolarHBondContact O-N 2.97Å; Y462-K466 HydrophobicContact CE1-CD 3.92Å; Y462-K466 WeakPolarHBondContact O-CB 3.42Å; Y462-K466 PolarHBondContact O-N 3.47Å
463	E	79.3	Confident	77.6	Confident	49 Å²	49	58.5 Å²	58.5	23%	0.229	33%	0.329	C	S	.	.	H	α-helix	trans	-60.8	-42.1	178.4	-71	-55.8	125.2	0	0	112	Y459 T467	Y459-E463 HydrophobicContact CD1-CG 4.35Å; Y459-E463 HydrophobicContact CE1-CG 3.92Å; Y459-E463 HydrophobicContact CE2-CG 4.26Å; Y459-E463 PolarHBondContact O-N 2.99Å; E463-T467 WeakPolarHBondContact O-CB 3.29Å; E463-T467 PolarHBondContact O-N 2.97Å; E463-T467 PolarHBondContact O-OG1 2.89Å
464	H	85.5	Confident	75.1	Confident	109 Å²	109	69.9 Å²	69.9	51%	0.505	37%	0.366	S	S	.	.	H	α-helix	trans	-65.1	-46.8	177.1	-170.8	73.4	0	0	0	112.4	V460 V461 Y462 T467 Q468	V460-H464 WeakPolarHBondContact O-CB 3.43Å; V460-H464 PolarHBondContact O-N 3.5Å; V460-H464 VanDerWaalsContact O-N 3.07Å; V461-H464 PolarHBondContact O-N 3.46Å; Y462-H464 VanDerWaalsContact C-N 3.33Å; Y462-H464 PolarHBondContact O-N 2.72Å; H464-T467 PolarHBondContact O-N 3.48Å; H464-Q468 PolarHBondContact NE2-NE2 3.04Å; H464-Q468 VanDerWaalsContact NE2-NE2 3.1Å; H464-Q468 WeakPolarHBondContact O-CB 3.32Å; H464-Q468 WeakPolarHBondContact O-CG 3.34Å; H464-Q468 PolarHBondContact O-N 3.1Å
465	L	83.9	Confident	74.8	Confident	50 Å²	50	72.8 Å²	72.8	26%	0.262	38%	0.379	S	S	.	.	H	α-helix	trans	-67.2	-39.4	179.3	-72.3	177.4	0	0	0	111.9	A196 V461 Y462 T467 Q468 L469	A196-L465 HydrophobicContact CB-CB 3.93Å; V461-L465 HydrophobicContact CG1-CD1 3.68Å; V461-L465 HydrophobicContact CG1-CG 4.03Å; V461-L465 WeakPolarHBondContact O-CB 3.46Å; V461-L465 VanDerWaalsContact O-CG 3.26Å; V461-L465 WeakPolarHBondContact O-CG 3.5Å; V461-L465 PolarHBondContact O-N 3.41Å; Y462-L465 PolarHBondContact O-N 2.97Å; L465-T467 VanDerWaalsContact C-N 3.33Å; L465-T467 PolarHBondContact O-N 3.46Å; L465-Q468 PolarHBondContact O-N 3.2Å; L465-L469 WeakPolarHBondContact O-CB 3.45Å; L465-L469 WeakPolarHBondContact O-CD1 3.42Å; L465-L469 WeakPolarHBondContact O-CG 3.43Å; L465-L469 PolarHBondContact O-N 3.48Å
466	K	80	Confident	74.8	Confident	11 Å²	11	75 Å²	75	5%	0.048	39%	0.389	C	S	.	.	H	α-helix	trans	-59.9	-45.3	175.4	-176.3	-175.3	166.9	-171	0	110.6	A196 Y462 L469 G470 V471 S473	A196-K466 HydrophobicContact CB-CB 4.39Å; Y462-K466 HydrophobicContact CE1-CD 3.92Å; Y462-K466 WeakPolarHBondContact O-CB 3.42Å; Y462-K466 PolarHBondContact O-N 3.47Å; K466-L469 PolarHBondContact O-N 3.01Å; K466-G470 PolarHBondContact O-N 2.69Å; K466-V471 HydrophobicContact CD-CG1 4.25Å; K466-V471 WeakPolarHBondContact CE-O 3.42Å; K466-V471 HydrophobicContact CG-CB 3.63Å; K466-V471 HydrophobicContact CG-CG1 3.74Å; K466-V471 WeakPolarHBondContact CG-O 3.41Å; K466-V471 PolarHBondContact O-N 3.04Å; K466-S473 PolarHBondContact NZ-OG 2.77Å
467	T	82.8	Confident	74.6	Confident	95 Å²	95	75.7 Å²	75.7	58%	0.583	39%	0.387	S	S	*	.	H	α-helix	trans	-63.1	-46.4	175.6	-54.3	0	0	0	0	111.8	E463 H464 L465 L469 G470	E463-T467 WeakPolarHBondContact O-CB 3.29Å; E463-T467 PolarHBondContact O-N 2.97Å; E463-T467 PolarHBondContact O-OG1 2.89Å; H464-T467 PolarHBondContact O-N 3.48Å; L465-T467 VanDerWaalsContact C-N 3.33Å; L465-T467 PolarHBondContact O-N 3.46Å; T467-L469 VanDerWaalsContact C-N 3.3Å; T467-L469 PolarHBondContact O-N 3.36Å; T467-G470 PolarHBondContact O-N 2.9Å; T467-G470 VanDerWaalsContact O-N 3.07Å
468	Q	85.9	Confident	74.1	Confident	138 Å²	138	77.3 Å²	77.3	65%	0.645	40%	0.395	S	S	*	.	H	α-helix	trans	-61.9	-35.9	177.8	-71.9	-94.8	1.2	0	0	112.8	H464 L465 G470	H464-Q468 PolarHBondContact NE2-NE2 3.04Å; H464-Q468 VanDerWaalsContact NE2-NE2 3.1Å; H464-Q468 WeakPolarHBondContact O-CB 3.32Å; H464-Q468 WeakPolarHBondContact O-CG 3.34Å; H464-Q468 PolarHBondContact O-N 3.1Å; L465-Q468 PolarHBondContact O-N 3.2Å; Q468-G470 PolarHBondContact O-N 3.24Å
469	L	82.1	Confident	73.7	Confident	53 Å²	53	81.9 Å²	81.9	28%	0.277	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	3.4	177.5	-68.9	168.3	0	0	0	112.9	W191 R192 A195 A196 L465 K466 T467 V471	W191-L469 HydrophobicContact CZ3-CD2 4.47Å; R192-L469 HydrophobicContact CB-CB 4.2Å; R192-L469 HydrophobicContact CB-CD1 4.35Å; R192-L469 VanDerWaalsContact CD-O 3.3Å; R192-L469 WeakPolarHBondContact CD-O 3.37Å; R192-L469 HydrophobicContact CG-CB 4.42Å; R192-L469 PolarHBondContact NE-O 3.09Å; R192-L469 PolarHBondContact NH1-O 3.46Å; R192-L469 VanDerWaalsContact NH1-O 3.08Å; R192-L469 WeakPolarHBondContact O-CD1 3.47Å; A195-L469 HydrophobicContact CB-CD1 4.11Å; A196-L469 HydrophobicContact CB-CD1 4.11Å; L465-L469 WeakPolarHBondContact O-CB 3.45Å; L465-L469 WeakPolarHBondContact O-CD1 3.42Å; L465-L469 WeakPolarHBondContact O-CG 3.43Å; L465-L469 PolarHBondContact O-N 3.48Å; K466-L469 PolarHBondContact O-N 3.01Å; T467-L469 VanDerWaalsContact C-N 3.3Å; T467-L469 PolarHBondContact O-N 3.36Å; L469-V471 VanDerWaalsContact C-N 3.31Å; L469-V471 HydrophobicContact CB-CG2 4.47Å; L469-V471 PolarHBondContact O-N 2.96Å
470	G	75.1	Confident	73.4	Confident	44 Å²	44	78.7 Å²	78.7	45%	0.454	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	27.2	177.6	0	0	0	0	0	113.3	K466 T467 Q468	K466-G470 PolarHBondContact O-N 2.69Å; T467-G470 PolarHBondContact O-N 2.9Å; T467-G470 VanDerWaalsContact O-N 3.07Å; Q468-G470 PolarHBondContact O-N 3.24Å
471	V	68.9	Low	72.8	Confident	8 Å²	8	77.3 Å²	77.3	5%	0.048	40%	0.399	C	S	.	.			trans	-95.9	84.7	172.4	-178.6	0	0	0	0	107.4	R192 H193 K466 L469 S473	R192-V471 HydrophobicContact CB-CG2 3.52Å; R192-V471 HydrophobicContact CG-CG2 4.25Å; H193-V471 WeakPolarHBondContact CE1-CG1 3.44Å; H193-V471 WeakPolarHBondContact NE2-CG1 3.34Å; K466-V471 HydrophobicContact CD-CG1 4.25Å; K466-V471 WeakPolarHBondContact CE-O 3.42Å; K466-V471 HydrophobicContact CG-CB 3.63Å; K466-V471 HydrophobicContact CG-CG1 3.74Å; K466-V471 WeakPolarHBondContact CG-O 3.41Å; K466-V471 PolarHBondContact O-N 3.04Å; L469-V471 VanDerWaalsContact C-N 3.31Å; L469-V471 HydrophobicContact CB-CG2 4.47Å; L469-V471 PolarHBondContact O-N 2.96Å; V471-S473 PolarHBondContact O-N 3.16Å
472	T	53.7	Low	71.9	Confident	114 Å²	114	80.9 Å²	80.9	70%	0.699	42%	0.415	S	S	*	.			trans	-71.7	118.6	173.8	36.2	0	0	0	0	109.5	R474	T472-R474 PolarHBondContact O-N 3.16Å; T472-R474 VanDerWaalsContact O-N 3.14Å
473	S	45.3	Very low	71.1	Confident	64 Å²	64	85.3 Å²	85.3	45%	0.448	44%	0.44	S	S	.	.			trans	-59.9	113.4	152	-94.5	0	0	0	0	105.7	H161 K466 V471	H161-S473 PolarHBondContact NE2-OG 2.93Å; K466-S473 PolarHBondContact NZ-OG 2.77Å; V471-S473 PolarHBondContact O-N 3.16Å
474	R	30.3	Very low	70.3	Confident	288 Å²	288	88.5 Å²	88.5	100%	1.087	46%	0.46	S	S	*	.			trans	-75.1	0	164.8	-95.6	-175.5	172.8	174.8	-0.7	109.4	T472	T472-R474 PolarHBondContact O-N 3.16Å; T472-R474 VanDerWaalsContact O-N 3.14Å

Retrieved 474 of 474 residues in 84.4 ms (Link to these results)

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