A0A077Z1Q1_TRITR Loading...

Sec7 and PH 9 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1Q1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 677 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	40.2	Very low	33.8	Very low	246 Å²	246	151.5 Å²	151.5	100%	1.212	85%	0.852	S	S	*	*				0	142.4	0	-71.4	169.4	173.8	0	0	107.3
2	S	28.9	Very low	33.9	Very low	114 Å²	114	148.8 Å²	148.8	80%	0.797	84%	0.842	S	S	*	*			trans	-101.8	146.6	-165.7	-47	0	0	0	0	111.9
3	L	31.8	Very low	33.5	Very low	135 Å²	135	150.4 Å²	150.4	71%	0.707	85%	0.847	S	S	*	*				179.8	115.9	112.9	-94.4	155.9	0	0	0	110.8	F5	L3-F5 HydrophobicContact CB-CD2 4.26Å; L3-F5 HydrophobicContact CB-CE2 4.21Å; L3-F5 HydrophobicContact CD1-CE2 3.96Å; L3-F5 HydrophobicContact CD2-CD2 4.3Å; L3-F5 HydrophobicContact CD2-CE2 3.83Å; L3-F5 HydrophobicContact CD2-CZ 4.08Å; L3-F5 HydrophobicContact CG-CE2 4.21Å
4	Q	29.8	Very low	33.6	Very low	190 Å²	190	149 Å²	149	89%	0.888	84%	0.843	S	S	*	*			trans	-84.6	134.7	154.3	-66.9	163.1	-76.5	0	0	106.9
5	F	37.1	Very low	33.5	Very low	180 Å²	180	144.6 Å²	144.6	79%	0.789	83%	0.832	S	S	*	*			trans	-115.7	103.8	169	-93.4	-72.7	0	0	0	110	L3	L3-F5 HydrophobicContact CB-CD2 4.26Å; L3-F5 HydrophobicContact CB-CE2 4.21Å; L3-F5 HydrophobicContact CD1-CE2 3.96Å; L3-F5 HydrophobicContact CD2-CD2 4.3Å; L3-F5 HydrophobicContact CD2-CE2 3.83Å; L3-F5 HydrophobicContact CD2-CZ 4.08Å; L3-F5 HydrophobicContact CG-CE2 4.21Å
6	A	32.3	Very low	33.2	Very low	96 Å²	96	143.8 Å²	143.8	79%	0.793	84%	0.838	S	S	*	*			trans	-78.2	143.9	149.9	0	0	0	0	0	107.9
7	G	36.1	Very low	33.2	Very low	70 Å²	70	141.8 Å²	141.8	72%	0.722	83%	0.834	S	S	*	*			trans	-138.4	83.8	-175.9	0	0	0	0	0	111.7	H9	G7-H9 PolarHBondContact O-N 3.33Å
8	D	30.8	Very low	32.9	Very low	165 Å²	165	144.6 Å²	144.6	88%	0.882	84%	0.838	S	S	*	*			trans	-64.1	123.9	167.6	-79.4	-51.5	0	0	0	110.2
9	H	37.6	Very low	33	Very low	189 Å²	189	142.9 Å²	142.9	88%	0.875	84%	0.835	S	S	*	*			trans	-119	85.1	166.8	-104.3	-48.2	0	0	0	111	G7 M11	G7-H9 PolarHBondContact O-N 3.33Å; H9-M11 PolarHBondContact O-N 3.12Å
10	A	32.4	Very low	32.9	Very low	95 Å²	95	141.6 Å²	141.6	79%	0.785	83%	0.831	S	S	*	*			trans	-68.1	125.3	165.8	0	0	0	0	0	110.4
11	M	35.1	Very low	32.8	Very low	187 Å²	187	143 Å²	143	92%	0.921	83%	0.834	S	S	*	*			trans	-111.8	87.6	166.7	-110.8	-168.5	178.1	0	0	110.8	H9	H9-M11 PolarHBondContact O-N 3.12Å
12	T	35	Very low	32.6	Very low	119 Å²	119	136.1 Å²	136.1	73%	0.73	80%	0.801	S	S	*	*			trans	15.8	123.3	148.3	54.7	0	0	0	0	119.2
13	D	28.4	Very low	32.6	Very low	169 Å²	169	135.4 Å²	135.4	90%	0.904	80%	0.796	S	S	*	*			trans	-46.4	134.6	162.3	-82.6	-73.9	0	0	0	114.1
14	V	35.4	Very low	32.7	Very low	131 Å²	131	138 Å²	138	79%	0.794	80%	0.798	S	S	*	*			trans	-133.4	93.7	163	-177.7	0	0	0	0	110.7
15	A	32	Very low	33	Very low	83 Å²	83	133.5 Å²	133.5	69%	0.686	79%	0.787	S	S	*	*			trans	43.3	97.5	153.4	0	0	0	0	0	118.8	S17	A15-S17 PolarHBondContact O-N 3.49Å
16	S	28	Very low	32.8	Very low	132 Å²	132	132.3 Å²	132.3	92%	0.923	79%	0.789	S	S	*	*			trans	-56.4	100.7	157.5	-76.1	0	0	0	0	111.6
17	S	33	Very low	32.9	Very low	110 Å²	110	135 Å²	135	77%	0.769	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-92.4	118.9	171.9	52.1	0	0	0	0	110.9	A15 S19	A15-S17 PolarHBondContact O-N 3.49Å; S17-S19 PolarHBondContact O-N 3.13Å
18	Q	28.9	Very low	32.6	Very low	192 Å²	192	140.9 Å²	140.9	90%	0.897	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-72.7	120.2	-176.7	-64.7	179.4	1.1	0	0	110.7	P20	Q18-P20 WeakPolarHBondContact O-CD 3.45Å
19	S	34.2	Very low	33	Very low	113 Å²	113	138 Å²	138	79%	0.79	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-69.2	121.1	173.4	-68.9	0	0	0	0	110.5	S17 L21	S17-S19 PolarHBondContact O-N 3.13Å; S19-L21 PolarHBondContact O-N 3.12Å
20	P	32	Very low	32.8	Very low	115 Å²	115	140 Å²	140	75%	0.747	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-71.3	120.1	-177	27.4	-33.7	0	0	0	111.4	Q18 I22	Q18-P20 WeakPolarHBondContact O-CD 3.45Å; P20-I22 PolarHBondContact O-N 2.76Å
21	L	30.5	Very low	33.1	Very low	172 Å²	172	146.1 Å²	146.1	90%	0.901	81%	0.807	S	S	*	*			trans	-68.4	99.4	171.5	-80	168.8	0	0	0	110.2	S19 S23	S19-L21 PolarHBondContact O-N 3.12Å; L21-S23 PolarHBondContact O-N 2.92Å
22	I	35.1	Very low	33.2	Very low	102 Å²	102	141.6 Å²	141.6	52%	0.523	80%	0.8	S	S	.	*			trans	-69.6	95.1	170	-58.4	179.5	0	0	0	109	P20 Y24 L600	P20-I22 PolarHBondContact O-N 2.76Å; I22-Y24 HydrophobicContact CG2-CD2 4.38Å; I22-Y24 HydrophobicContact CG2-CE2 4.05Å; I22-L600 HydrophobicContact CD1-CD2 3.9Å
23	S	29.6	Very low	32.9	Very low	99 Å²	99	147.2 Å²	147.2	69%	0.692	81%	0.807	S	S	*	*			trans	-74	119.8	167.9	53	0	0	0	0	110.2	L21 S25	L21-S23 PolarHBondContact O-N 2.92Å; S23-S25 PolarHBondContact O-N 3.09Å
24	Y	34.5	Very low	33.4	Very low	188 Å²	188	145 Å²	145	74%	0.737	80%	0.802	S	S	*	*			trans	-84.1	101.2	167.6	-76	-94.4	0	0	0	109.2	I22	I22-Y24 HydrophobicContact CG2-CD2 4.38Å; I22-Y24 HydrophobicContact CG2-CE2 4.05Å
25	S	34.6	Very low	33.5	Very low	96 Å²	96	145 Å²	145	67%	0.671	80%	0.802	S	S	*	*			trans	-75.7	132.9	161.7	-60.1	0	0	0	0	109.1	S23	S23-S25 PolarHBondContact O-N 3.09Å
26	N	32.4	Very low	33.7	Very low	155 Å²	155	150.5 Å²	150.5	83%	0.829	81%	0.811	S	S	*	*			trans	-94.9	108.5	168.4	-79	-3.7	0	0	0	108.2
27	D	35.8	Very low	34.2	Very low	153 Å²	153	153.9 Å²	153.9	82%	0.818	81%	0.812	S	S	*	*			trans	-91.6	122.5	167	-77.2	-56.9	0	0	0	110.5	A29	D27-A29 PolarHBondContact O-N 3.06Å
28	E	30.3	Very low	34.4	Very low	194 Å²	194	153.9 Å²	153.9	91%	0.907	81%	0.812	S	S	*	*			trans	-84	101.2	177.3	-66.1	-171.9	119.9	0	0	111.3
29	A	38	Very low	35	Very low	103 Å²	103	149.8 Å²	149.8	85%	0.851	80%	0.802	S	S	*	*			trans	-96.5	106.1	173.2	0	0	0	0	0	111.7	D27	D27-A29 PolarHBondContact O-N 3.06Å
30	R	32.7	Very low	35.2	Very low	232 Å²	232	151 Å²	151	88%	0.875	81%	0.805	S	S	*	*			trans	-69	141.4	177.1	-55.5	166.5	-179.6	165.6	-1.7	111.6
31	F	38.6	Very low	35.5	Very low	223 Å²	223	153.2 Å²	153.2	98%	0.978	81%	0.805	S	S	*	*			trans	-148.3	156.6	146.4	-101.6	-72.4	0	0	0	111.4
32	A	37.4	Very low	35.7	Very low	93 Å²	93	151.1 Å²	151.1	77%	0.769	80%	0.802	S	S	*	*			trans	-104.2	164	-156.3	0	0	0	0	0	115.6
33	R	30.3	Very low	35.5	Very low	237 Å²	237	151.9 Å²	151.9	89%	0.894	81%	0.812	S	S	*	*			trans	-73.8	155.1	166.7	-83	-177	171.9	175.2	-2	112
34	P	38.3	Very low	35.8	Very low	123 Å²	123	157 Å²	157	80%	0.799	82%	0.822	S	S	*	*				-117.6	-173.4	124.8	34.8	-31.3	0	0	0	112.6
35	T	37	Very low	35.7	Very low	129 Å²	129	152.9 Å²	152.9	79%	0.791	83%	0.827	S	S	*	*			trans	-115.6	147.6	-157.6	44.2	0	0	0	0	116.3
36	K	36.4	Very low	35.7	Very low	199 Å²	199	153.1 Å²	153.1	87%	0.865	83%	0.828	S	S	*	*			trans	17.7	124.3	153.7	-68.2	-175.8	175.7	-177	0	119.1
37	Q	38.8	Very low	35.8	Very low	203 Å²	203	150.7 Å²	150.7	95%	0.949	82%	0.821	S	S	*	*				-156.5	164.6	116.1	-106.9	166.9	18.8	0	0	110.4
38	S	36.5	Very low	35.7	Very low	111 Å²	111	153 Å²	153	78%	0.776	82%	0.818	S	S	*	*			trans	-146.7	164.9	-174.2	67.7	0	0	0	0	108.2
39	P	41.6	Very low	35.9	Very low	106 Å²	106	152.7 Å²	152.7	69%	0.688	81%	0.814	S	S	*	*				-153.7	-165.2	57.9	40.3	-16.5	0	0	0	117.3
40	T	39.8	Very low	36.1	Very low	139 Å²	139	151.5 Å²	151.5	85%	0.853	79%	0.791	S	S	*	*			trans	80.4	147.6	168.6	63.2	0	0	0	0	119
41	Q	38	Very low	36.7	Very low	160 Å²	160	143 Å²	143	75%	0.748	77%	0.77	S	S	*	*			trans	-114.2	175	-165.8	-59.9	-177.6	-20	0	0	111.6
42	P	34.6	Very low	36.8	Very low	128 Å²	128	137.7 Å²	137.7	83%	0.831	75%	0.747	S	S	*	*				-123.9	163.6	88.3	37.4	-34	0	0	0	114.4
43	T	30.2	Very low	36.9	Very low	119 Å²	119	136.5 Å²	136.5	73%	0.73	73%	0.73	S	S	*	*			trans	-72.8	136.6	-172.7	44.2	0	0	0	0	113.1
44	K	35.8	Very low	37.4	Very low	207 Å²	207	133.2 Å²	133.2	90%	0.9	73%	0.727	S	S	*	*			trans	-111.6	114.2	163.5	-75.4	-173.5	175.4	-178.5	0	108.9
45	A	33.5	Very low	37.6	Very low	101 Å²	101	131.3 Å²	131.3	84%	0.835	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-63.4	136.7	171.4	0	0	0	0	0	110.3
46	S	33.3	Very low	38.1	Very low	100 Å²	100	129.3 Å²	129.3	70%	0.699	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-68.9	144.9	170.7	34.5	0	0	0	0	110.6	R48	S46-R48 PolarHBondContact O-N 2.92Å
47	P	35	Very low	38.7	Very low	104 Å²	104	128.7 Å²	128.7	68%	0.675	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-65.8	134.1	-177.5	27	-34.5	0	0	0	111.3	F49	P47-F49 PolarHBondContact O-N 3.34Å
48	R	33.9	Very low	38.7	Very low	202 Å²	202	126.3 Å²	126.3	76%	0.762	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-68	121.1	175.1	-162.5	-176.1	-149.5	177.8	8.2	109.2	S46	S46-R48 PolarHBondContact O-N 2.92Å
49	F	34.3	Very low	39.2	Very low	188 Å²	188	127 Å²	127	83%	0.825	70%	0.698	S	S	*	*			trans	-84	115.8	169.6	-79.4	-100.6	0	0	0	109	P47	P47-F49 PolarHBondContact O-N 3.34Å
50	E	41.7	Very low	39.4	Very low	78 Å²	78	126.7 Å²	126.7	36%	0.364	69%	0.691	S	S	.	*			trans	-99.7	138.6	163.7	-67.5	-167.4	-158.9	0	0	109.4	F52 R61	E50-F52 HydrophobicContact CB-CE2 3.71Å; E50-F52 HydrophobicContact CB-CZ 3.63Å; E50-R61 IonicContact OE1-CZ 3.89Å; E50-R61 IonicContact OE1-NH2 2.9Å; E50-R61 PolarHBondContact OE1-NH2 2.82Å; E50-R61 IonicContact OE2-CZ 3.19Å; E50-R61 IonicContact OE2-NE 2.78Å; E50-R61 PolarHBondContact OE2-NE 2.77Å; E50-R61 IonicContact OE2-NH2 2.77Å; E50-R61 PolarHBondContact OE2-NH2 3.49Å
51	A	45.8	Very low	39.5	Very low	54 Å²	54	128.6 Å²	128.6	45%	0.446	68%	0.682	S	S	.	*			trans	-109.1	134.1	179.7	0	0	0	0	0	110.2	L62	A51-L62 HydrophobicContact CB-CB 4.4Å; A51-L62 HydrophobicContact CB-CD1 4.06Å; A51-L62 WeakPolarHBondContact O-CB 3.48Å; A51-L62 PolarHBondContact O-N 3.41Å
52	F	41.3	Very low	40.1	Very low	110 Å²	110	125.5 Å²	125.5	48%	0.482	67%	0.67	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.4	142.7	-177.2	-55	-81	0	0	0	110	E50 I59 R61	E50-F52 HydrophobicContact CB-CE2 3.71Å; E50-F52 HydrophobicContact CB-CZ 3.63Å; F52-I59 HydrophobicContact CB-CG2 4.38Å; F52-I59 HydrophobicContact CD1-CG2 3.52Å; F52-I59 HydrophobicContact CE1-CG2 4.18Å; F52-I59 HydrophobicContact CG-CG2 4.26Å; F52-R61 HydrophobicContact CE1-CG 4.05Å
53	V	39.8	Very low	41.2	Very low	68 Å²	68	124.5 Å²	124.5	41%	0.412	66%	0.658	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.3	127.8	164.7	-179.2	0	0	0	0	107.4	T55 L60 L62	V53-T55 HydrophobicContact CG1-CG2 4.17Å; V53-L60 PolarHBondContact N-O 2.91Å; V53-L60 PolarHBondContact O-N 3.13Å; V53-L62 HydrophobicContact CG2-CD1 4.04Å
54	M	39.4	Very low	42.5	Very low	168 Å²	168	123.1 Å²	123.1	83%	0.828	65%	0.651	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.5	106.1	175.3	-62.4	-162.4	-52.4	0	0	109.8
55	T	43.2	Very low	43.8	Very low	83 Å²	83	117 Å²	117	51%	0.509	62%	0.624	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.5	85.6	171.3	46.6	0	0	0	0	109.4	V53 E57 K58	V53-T55 HydrophobicContact CG1-CG2 4.17Å; T55-E57 VanDerWaalsContact C-N 3.28Å; T55-E57 PolarHBondContact O-N 3.29Å; T55-K58 PolarHBondContact O-N 3.16Å
56	G	46.7	Very low	45.3	Very low	87 Å²	87	114.1 Å²	114.1	90%	0.897	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	66	-73.4	172.5	0	0	0	0	0	115.3
57	E	50	Low	47.1	Very low	187 Å²	187	112.6 Å²	112.6	87%	0.874	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.4	-11	-163.4	-56.9	-178.5	145.9	0	0	113.5	T55	T55-E57 VanDerWaalsContact C-N 3.28Å; T55-E57 PolarHBondContact O-N 3.29Å
58	K	38.3	Very low	48.7	Very low	152 Å²	152	109.1 Å²	109.1	66%	0.661	56%	0.564	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-131	135.4	-176.1	-66.8	177.9	-176.1	169.9	0	111.7	T55	T55-K58 PolarHBondContact O-N 3.16Å
59	I	47.3	Very low	50.2	Low	126 Å²	126	105.2 Å²	105.2	65%	0.646	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.5	106.7	171.9	-60.3	175.8	0	0	0	107.7	F52	F52-I59 HydrophobicContact CB-CG2 4.38Å; F52-I59 HydrophobicContact CD1-CG2 3.52Å; F52-I59 HydrophobicContact CE1-CG2 4.18Å; F52-I59 HydrophobicContact CG-CG2 4.26Å
60	L	44.7	Very low	51.8	Low	100 Å²	100	102.3 Å²	102.3	52%	0.524	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	116.9	170.6	-65.3	177.7	0	0	0	109.1	V53	V53-L60 PolarHBondContact N-O 2.91Å; V53-L60 PolarHBondContact O-N 3.13Å
61	R	42.5	Very low	53.2	Low	178 Å²	178	98.9 Å²	98.9	67%	0.672	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	114.5	176.8	-159.6	175.6	-158.6	174.9	1.8	108.5	E50 F52	E50-R61 IonicContact OE1-CZ 3.89Å; E50-R61 IonicContact OE1-NH2 2.9Å; E50-R61 PolarHBondContact OE1-NH2 2.82Å; E50-R61 IonicContact OE2-CZ 3.19Å; E50-R61 IonicContact OE2-NE 2.78Å; E50-R61 PolarHBondContact OE2-NE 2.77Å; E50-R61 IonicContact OE2-NH2 2.77Å; E50-R61 PolarHBondContact OE2-NH2 3.49Å; F52-R61 HydrophobicContact CE1-CG 4.05Å
62	L	50.9	Low	54.3	Low	95 Å²	95	103.5 Å²	103.5	50%	0.497	54%	0.538	S	S	.	.			trans	-76.8	126.8	175.9	-67.5	172.8	0	0	0	109.4	A51 V53	A51-L62 HydrophobicContact CB-CB 4.4Å; A51-L62 HydrophobicContact CB-CD1 4.06Å; A51-L62 WeakPolarHBondContact O-CB 3.48Å; A51-L62 PolarHBondContact O-N 3.41Å; V53-L62 HydrophobicContact CG2-CD1 4.04Å
63	D	56.8	Low	55.9	Low	108 Å²	108	103.8 Å²	103.8	58%	0.578	55%	0.548	S	S	*	.			trans	-66.7	126.6	177.5	-159.7	37.2	0	0	0	109	K65	D63-K65 PolarHBondContact O-N 3.39Å; D63-K65 IonicContact OD1-NZ 3.28Å; D63-K65 PolarHBondContact OD1-NZ 3Å; D63-K65 WeakPolarHBondContact OD2-CD 3.34Å; D63-K65 IonicContact OD2-NZ 2.63Å; D63-K65 PolarHBondContact OD2-NZ 3.15Å
64	P	58	Low	57.1	Low	90 Å²	90	103.5 Å²	103.5	58%	0.584	54%	0.542	S	S	*	.			trans	-77.1	16.7	-163.4	31.5	-37.8	0	0	0	114.7
65	K	63.6	Low	58.1	Low	78 Å²	78	102 Å²	102	34%	0.339	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-85.9	129.4	-170.8	-56.5	-169.8	179.7	95.6	0	111.3	D63 E83 A85	D63-K65 PolarHBondContact O-N 3.39Å; D63-K65 IonicContact OD1-NZ 3.28Å; D63-K65 PolarHBondContact OD1-NZ 3Å; D63-K65 WeakPolarHBondContact OD2-CD 3.34Å; D63-K65 IonicContact OD2-NZ 2.63Å; D63-K65 PolarHBondContact OD2-NZ 3.15Å; K65-E83 WeakPolarHBondContact CA-O 3.15Å; K65-E83 WeakPolarHBondContact CE-OE2 3.37Å; K65-E83 HydrophobicContact CG-CB 4.12Å; K65-A85 HydrophobicContact CB-CB 3.87Å
66	I	65.4	Low	59.3	Low	40 Å²	40	107.7 Å²	107.7	21%	0.205	55%	0.55	C	S	.	*	B	Isolated β-bridge	trans	-72.6	134.7	178.3	-74.4	-163.4	0	0	0	110.3	Y70 A71 L78 I82 E83 I84 A85	I66-Y70 HydrophobicContact CD1-CD1 4.35Å; I66-Y70 HydrophobicContact CD1-CE1 4.41Å; I66-Y70 HydrophobicContact CG2-CD1 3.63Å; I66-Y70 HydrophobicContact CG2-CG 4.22Å; I66-A71 HydrophobicContact CG2-CB 4.36Å; I66-L78 HydrophobicContact CD1-CD2 3.73Å; I66-I82 HydrophobicContact CB-CG2 4.18Å; I66-I82 HydrophobicContact CD1-CD1 4.43Å; I66-I82 HydrophobicContact CD1-CG2 3.73Å; I66-I82 HydrophobicContact CG1-CG2 3.76Å; I66-E83 PolarHBondContact N-O 2.96Å; I66-I84 CarbonylContact O-C 3.55Å; I66-I84 WeakPolarHBondContact O-CA 3.43Å; I66-A85 PolarHBondContact O-N 3.38Å
67	S	70	Confident	60.5	Low	69 Å²	69	110 Å²	110	48%	0.483	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-62	139.6	-179.8	71.5	0	0	0	0	112.2	N69 Y70 A71	S67-N69 PolarHBondContact O-N 3.19Å; S67-Y70 PolarHBondContact O-N 2.99Å; S67-Y70 PolarHBondContact OG-N 3.12Å; S67-A71 PolarHBondContact O-N 3.18Å
68	A	69.6	Low	61.4	Low	31 Å²	31	103.1 Å²	103.1	26%	0.256	51%	0.507	S	S	.	.	H	α-helix	trans	-53.8	-32.1	-178.4	0	0	0	0	0	113.6	K72 I84	A68-K72 WeakPolarHBondContact O-CG 3.39Å; A68-K72 PolarHBondContact O-N 3.29Å; A68-I84 HydrophobicContact CB-CG2 4.45Å
69	N	64.7	Low	62.9	Low	119 Å²	119	99.1 Å²	99.1	64%	0.636	50%	0.497	S	S	*	.	H	α-helix	trans	-73	-37.6	176.4	-73	-12	0	0	0	112.9	S67 V73	S67-N69 PolarHBondContact O-N 3.19Å; N69-V73 WeakPolarHBondContact O-CG2 3.48Å; N69-V73 PolarHBondContact O-N 3.01Å
70	Y	67.1	Low	63.9	Low	127 Å²	127	103 Å²	103	50%	0.498	51%	0.512	S	S	.	.	H	α-helix	trans	-67.8	-40.6	172.8	-173.3	-86.2	0	0	0	110.8	I66 S67 K72 V73 K74	I66-Y70 HydrophobicContact CD1-CD1 4.35Å; I66-Y70 HydrophobicContact CD1-CE1 4.41Å; I66-Y70 HydrophobicContact CG2-CD1 3.63Å; I66-Y70 HydrophobicContact CG2-CG 4.22Å; S67-Y70 PolarHBondContact O-N 2.99Å; S67-Y70 PolarHBondContact OG-N 3.12Å; Y70-K72 PolarHBondContact O-N 2.86Å; Y70-V73 PolarHBondContact O-N 3.22Å; Y70-V73 VanDerWaalsContact O-N 3.16Å; Y70-K74 HydrophobicContact CD1-CB 4.49Å; Y70-K74 HydrophobicContact CE1-CB 4.13Å; Y70-K74 HydrophobicContact CE1-CG 4.21Å; Y70-K74 PolarHBondContact O-N 2.98Å; Y70-K74 VanDerWaalsContact O-N 3.15Å
71	A	71.6	Confident	65.1	Low	7 Å²	7	105.4 Å²	105.4	6%	0.058	52%	0.52	C	S	.	.	H	α-helix	trans	-56.7	-49.4	175.8	0	0	0	0	0	112	I66 S67 V73 K74 Q75 L78 I84	I66-A71 HydrophobicContact CG2-CB 4.36Å; S67-A71 PolarHBondContact O-N 3.18Å; A71-V73 VanDerWaalsContact C-N 3.26Å; A71-V73 PolarHBondContact O-N 2.77Å; A71-K74 CarbonylContact O-C 3.52Å; A71-K74 PolarHBondContact O-N 2.7Å; A71-K74 VanDerWaalsContact O-N 3.1Å; A71-Q75 WeakPolarHBondContact O-CG 3.3Å; A71-Q75 PolarHBondContact O-N 3.07Å; A71-L78 HydrophobicContact CB-CD1 4.3Å; A71-I84 HydrophobicContact CB-CD1 3.81Å; A71-I84 HydrophobicContact CB-CG1 3.93Å; A71-I84 HydrophobicContact CB-CG2 3.83Å
72	K	70.4	Confident	66.3	Low	150 Å²	150	99.6 Å²	99.6	65%	0.652	50%	0.502	S	S	*	.	H	α-helix	trans	-54.9	-36.5	175.5	-77	173.9	178.9	179.6	0	113.8	A68 Y70	A68-K72 WeakPolarHBondContact O-CG 3.39Å; A68-K72 PolarHBondContact O-N 3.29Å; Y70-K72 PolarHBondContact O-N 2.86Å
73	V	73.3	Confident	67.1	Low	117 Å²	117	100.8 Å²	100.8	71%	0.709	51%	0.505	S	S	*	.	H	α-helix	trans	-81	-18	-178.4	176.1	0	0	0	0	112.6	N69 Y70 A71	N69-V73 WeakPolarHBondContact O-CG2 3.48Å; N69-V73 PolarHBondContact O-N 3.01Å; Y70-V73 PolarHBondContact O-N 3.22Å; Y70-V73 VanDerWaalsContact O-N 3.16Å; A71-V73 VanDerWaalsContact C-N 3.26Å; A71-V73 PolarHBondContact O-N 2.77Å
74	K	65.6	Low	67.8	Low	62 Å²	62	100 Å²	100	27%	0.27	50%	0.5	S	S	.	.	H	α-helix	trans	-132.8	23.9	-171.2	-75.2	-71.1	178.1	171.5	0	115.3	Y70 A71 F76 E77 L78	Y70-K74 HydrophobicContact CD1-CB 4.49Å; Y70-K74 HydrophobicContact CE1-CB 4.13Å; Y70-K74 HydrophobicContact CE1-CG 4.21Å; Y70-K74 PolarHBondContact O-N 2.98Å; Y70-K74 VanDerWaalsContact O-N 3.15Å; A71-K74 CarbonylContact O-C 3.52Å; A71-K74 PolarHBondContact O-N 2.7Å; A71-K74 VanDerWaalsContact O-N 3.1Å; K74-F76 PolarHBondContact O-N 3.13Å; K74-E77 HydrophobicContact CD-CB 4.15Å; K74-E77 HydrophobicContact CD-CG 4.34Å; K74-E77 WeakPolarHBondContact CD-OE2 3.33Å; K74-E77 IonicContact NZ-OE1 3.35Å; K74-E77 PolarHBondContact NZ-OE1 3.27Å; K74-E77 IonicContact NZ-OE2 2.67Å; K74-E77 PolarHBondContact NZ-OE2 3.25Å; K74-E77 PolarHBondContact O-N 3.13Å; K74-L78 WeakPolarHBondContact O-CG 3.38Å; K74-L78 PolarHBondContact O-N 3.17Å
75	Q	60.8	Low	68.1	Low	135 Å²	135	97.2 Å²	97.2	63%	0.631	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-46	-40.5	-179	-80.1	-178	-36.8	0	0	114.5	A71	A71-Q75 WeakPolarHBondContact O-CG 3.3Å; A71-Q75 PolarHBondContact O-N 3.07Å
76	F	69	Low	67.9	Low	203 Å²	203	99.7 Å²	99.7	89%	0.89	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-86.2	0.3	-177.4	-54.7	-72.9	0	0	0	115.2	K74	K74-F76 PolarHBondContact O-N 3.13Å
77	E	71.7	Confident	67.2	Low	135 Å²	135	101.9 Å²	101.9	63%	0.631	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-117	5.1	179.5	-73.9	175.1	-132.6	0	0	112.8	K74	K74-E77 HydrophobicContact CD-CB 4.15Å; K74-E77 HydrophobicContact CD-CG 4.34Å; K74-E77 WeakPolarHBondContact CD-OE2 3.33Å; K74-E77 IonicContact NZ-OE1 3.35Å; K74-E77 PolarHBondContact NZ-OE1 3.27Å; K74-E77 IonicContact NZ-OE2 2.67Å; K74-E77 PolarHBondContact NZ-OE2 3.25Å; K74-E77 PolarHBondContact O-N 3.13Å
78	L	67.3	Low	66.1	Low	44 Å²	44	104.8 Å²	104.8	23%	0.23	55%	0.545	C	S	.	.	S	Bend	trans	-100.6	121.4	-176.4	-74.8	166.5	0	0	0	111.7	I66 A71 K74 I82	I66-L78 HydrophobicContact CD1-CD2 3.73Å; A71-L78 HydrophobicContact CB-CD1 4.3Å; K74-L78 WeakPolarHBondContact O-CG 3.38Å; K74-L78 PolarHBondContact O-N 3.17Å; L78-I82 HydrophobicContact CD2-CD1 3.92Å
79	P	70.1	Confident	64.7	Low	68 Å²	68	108.7 Å²	108.7	44%	0.442	57%	0.568	S	S	.	*			trans	-57.4	143.2	167.9	-27.6	34.8	0	0	0	113.5	H81 I82	P79-H81 VanDerWaalsContact CB-CE1 3.43Å; P79-H81 WeakPolarHBondContact CB-CE1 3.41Å; P79-H81 PolarHBondContact O-N 2.84Å; P79-I82 HydrophobicContact CB-CD1 4.42Å; P79-I82 HydrophobicContact CG-CD1 4.33Å; P79-I82 PolarHBondContact O-N 3.47Å
80	E	69	Low	63.3	Low	206 Å²	206	108.8 Å²	108.8	96%	0.963	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-14	-174.1	-60.1	176.5	143.4	0	0	115.6
81	H	70.9	Confident	61.8	Low	152 Å²	152	111.2 Å²	111.2	70%	0.704	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	9.6	-175.9	64.8	-98.6	0	0	0	114.4	P79	P79-H81 VanDerWaalsContact CB-CE1 3.43Å; P79-H81 WeakPolarHBondContact CB-CE1 3.41Å; P79-H81 PolarHBondContact O-N 2.84Å
82	I	67.2	Low	60.1	Low	56 Å²	56	113.6 Å²	113.6	29%	0.287	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-96.1	118	-177	-62.3	178.3	0	0	0	110.9	I66 L78 P79 I84	I66-I82 HydrophobicContact CB-CG2 4.18Å; I66-I82 HydrophobicContact CD1-CD1 4.43Å; I66-I82 HydrophobicContact CD1-CG2 3.73Å; I66-I82 HydrophobicContact CG1-CG2 3.76Å; L78-I82 HydrophobicContact CD2-CD1 3.92Å; P79-I82 HydrophobicContact CB-CD1 4.42Å; P79-I82 HydrophobicContact CG-CD1 4.33Å; P79-I82 PolarHBondContact O-N 3.47Å; I82-I84 PolarHBondContact O-N 3.21Å
83	E	66.3	Low	58.2	Low	120 Å²	120	112.3 Å²	112.3	56%	0.561	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-67.1	127.5	171.2	-71.4	178.3	-146.6	0	0	111.4	K65 I66	K65-E83 WeakPolarHBondContact CA-O 3.15Å; K65-E83 WeakPolarHBondContact CE-OE2 3.37Å; K65-E83 HydrophobicContact CG-CB 4.12Å; I66-E83 PolarHBondContact N-O 2.96Å
84	I	71.7	Confident	56.1	Low	92 Å²	92	114.9 Å²	114.9	47%	0.472	63%	0.625	S	S	.	*	B	Isolated β-bridge	trans	-92.5	132	171.9	-59.4	166.9	0	0	0	107.8	I66 A68 A71 I82 T86	I66-I84 CarbonylContact O-C 3.55Å; I66-I84 WeakPolarHBondContact O-CA 3.43Å; A68-I84 HydrophobicContact CB-CG2 4.45Å; A71-I84 HydrophobicContact CB-CD1 3.81Å; A71-I84 HydrophobicContact CB-CG1 3.93Å; A71-I84 HydrophobicContact CB-CG2 3.83Å; I82-I84 PolarHBondContact O-N 3.21Å; I84-T86 PolarHBondContact O-N 2.77Å; I84-T86 VanDerWaalsContact O-N 3.15Å
85	A	65.9	Low	54.5	Low	31 Å²	31	117.4 Å²	117.4	26%	0.256	65%	0.645	S	S	.	*			trans	-63.3	115.3	173	0	0	0	0	0	109.2	K65 I66	K65-A85 HydrophobicContact CB-CB 3.87Å; I66-A85 PolarHBondContact O-N 3.38Å
86	T	58.7	Low	52.9	Low	130 Å²	130	119.1 Å²	119.1	80%	0.798	65%	0.651	S	S	*	*			trans	-57.9	138.9	169.7	40.5	0	0	0	0	109.3	I84 T88	I84-T86 PolarHBondContact O-N 2.77Å; I84-T86 VanDerWaalsContact O-N 3.15Å; T86-T88 PolarHBondContact O-N 3.09Å; T86-T88 VanDerWaalsContact O-N 3.09Å
87	A	51.5	Low	51.1	Low	86 Å²	86	117.6 Å²	117.6	71%	0.711	65%	0.647	S	S	*	*			trans	-67.8	112.7	178	0	0	0	0	0	109
88	T	46.6	Very low	49.1	Very low	130 Å²	130	119.7 Å²	119.7	80%	0.798	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-51.8	128.2	165	-39.8	0	0	0	0	107.6	T86 S90	T86-T88 PolarHBondContact O-N 3.09Å; T86-T88 VanDerWaalsContact O-N 3.09Å; T88-S90 PolarHBondContact O-N 3.4Å
89	P	38.5	Very low	47.3	Very low	113 Å²	113	126.5 Å²	126.5	73%	0.734	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-57	135.1	179.6	23.1	-33.3	0	0	0	109.1	K91	P89-K91 PolarHBondContact O-N 2.84Å
90	S	37.2	Very low	45.3	Very low	120 Å²	120	132.1 Å²	132.1	84%	0.839	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-57	117.5	176.1	-171.5	0	0	0	0	108.1	T88 G92	T88-S90 PolarHBondContact O-N 3.4Å; S90-G92 PolarHBondContact O-N 3.36Å
91	K	34.5	Very low	43.5	Very low	179 Å²	179	134 Å²	134	78%	0.778	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-57.8	129.8	160.6	-73.3	-166.1	171.7	-165.8	0	106.7	P89	P89-K91 PolarHBondContact O-N 2.84Å
92	G	35.7	Very low	41.7	Very low	56 Å²	56	135.9 Å²	135.9	58%	0.577	71%	0.712	S	S	*	*			trans	-68.4	-170.9	171.9	0	0	0	0	0	111.2	S90 F94	S90-G92 PolarHBondContact O-N 3.36Å; G92-F94 PolarHBondContact O-N 2.97Å
93	P	31.8	Very low	40.1	Very low	123 Å²	123	139.1 Å²	139.1	80%	0.799	74%	0.736	S	S	*	*	S	Bend	trans	-53.7	137.3	168.1	26.1	-34.4	0	0	0	109.7	V95	P93-V95 VanDerWaalsContact C-N 3.34Å; P93-V95 PolarHBondContact O-N 2.83Å
94	F	29.1	Very low	38.7	Very low	171 Å²	171	139.7 Å²	139.7	75%	0.75	75%	0.748	S	S	*	*			trans	-74.4	86.8	-175.4	-165.2	-83.9	0	0	0	109.8	G92 F96	G92-F94 PolarHBondContact O-N 2.97Å; F94-F96 HydrophobicContact CE1-CD2 4.15Å
95	V	31.6	Very low	36.8	Very low	116 Å²	116	144.4 Å²	144.4	70%	0.703	77%	0.768	S	S	*	*			trans	-69.1	130.4	167.2	179.6	0	0	0	0	107.8	P93 E97	P93-V95 VanDerWaalsContact C-N 3.34Å; P93-V95 PolarHBondContact O-N 2.83Å; V95-E97 PolarHBondContact O-N 3.1Å; V95-E97 VanDerWaalsContact O-N 3.14Å
96	F	27.1	Very low	35.6	Very low	171 Å²	171	149.4 Å²	149.4	75%	0.75	80%	0.795	S	S	*	*			trans	-86.7	80.2	-176.8	-159.9	-82.1	0	0	0	109.7	F94 Q98	F94-F96 HydrophobicContact CE1-CD2 4.15Å; F96-Q98 PolarHBondContact O-N 2.58Å
97	E	31.8	Very low	34.8	Very low	171 Å²	171	148.5 Å²	148.5	80%	0.799	79%	0.794	S	S	*	*			trans	-64.6	125.7	170.8	-73.6	-178.5	125.2	0	0	109.9	V95 E99	V95-E97 PolarHBondContact O-N 3.1Å; V95-E97 VanDerWaalsContact O-N 3.14Å; E97-E99 PolarHBondContact O-N 3.19Å
98	Q	28.9	Very low	34.1	Very low	179 Å²	179	149.8 Å²	149.8	84%	0.836	80%	0.795	S	S	*	*			trans	-78.3	87.1	176.8	-70.1	178.2	-110.6	0	0	109.7	F96 E100	F96-Q98 PolarHBondContact O-N 2.58Å; Q98-E100 PolarHBondContact O-N 2.88Å
99	E	30.6	Very low	33.7	Very low	186 Å²	186	151.3 Å²	151.3	87%	0.869	80%	0.799	S	S	*	*			trans	-71.8	115.3	178	-154.4	175.6	-150.5	0	0	110.9	E97 R101	E97-E99 PolarHBondContact O-N 3.19Å; E99-R101 PolarHBondContact O-N 2.99Å
100	E	27.6	Very low	33.7	Very low	187 Å²	187	154 Å²	154	87%	0.874	80%	0.801	S	S	*	*			trans	-65.3	121.1	-173.5	-61.7	-177.9	126.9	0	0	112.4	Q98 K102	Q98-E100 PolarHBondContact O-N 2.88Å; E100-K102 PolarHBondContact O-N 2.77Å
101	R	31	Very low	33.7	Very low	244 Å²	244	155.2 Å²	155.2	92%	0.921	80%	0.797	S	S	*	*			trans	-84.6	103.7	168.9	-74.4	-168.8	173.9	-165.4	-0.9	110.7	E99	E99-R101 PolarHBondContact O-N 2.99Å
102	K	32.5	Very low	34.1	Very low	192 Å²	192	154.1 Å²	154.1	84%	0.835	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-47.9	135.5	169.5	-65.4	-178.4	177	-177.2	0	111.7	E100	E100-K102 PolarHBondContact O-N 2.77Å
103	P	33.9	Very low	34.2	Very low	124 Å²	124	157.6 Å²	157.6	81%	0.805	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-62.8	157.5	164.2	-19	32.4	0	0	0	111.6
104	V	37.6	Very low	34.5	Very low	133 Å²	133	155 Å²	155	81%	0.806	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-94.1	135.4	172.6	174.8	0	0	0	0	109.2
105	E	31.6	Very low	35	Very low	191 Å²	191	156.3 Å²	156.3	89%	0.893	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-68.6	130.5	175.5	-65.1	171.9	109.2	0	0	111.8
106	V	40.7	Very low	35.5	Very low	135 Å²	135	156.9 Å²	156.9	82%	0.818	82%	0.82	S	S	*	*			trans	-138.3	135.1	157.1	-177.4	0	0	0	0	107.3
107	S	40.4	Very low	36.1	Very low	112 Å²	112	155.3 Å²	155.3	78%	0.783	82%	0.819	S	S	*	*			trans	-69	154.2	-169.9	-54.1	0	0	0	0	114.3
108	P	36.9	Very low	36.5	Very low	113 Å²	113	153.2 Å²	153.2	73%	0.734	81%	0.813	S	S	*	*			trans	-90.7	163.1	-176.8	37.7	-36.9	0	0	0	113.5
109	D	39.3	Very low	37.2	Very low	162 Å²	162	150.8 Å²	150.8	87%	0.866	81%	0.806	S	S	*	*				-165.5	168	125.7	-112.2	-33	0	0	0	112.8
110	E	37.5	Very low	37.6	Very low	168 Å²	168	147.9 Å²	147.9	79%	0.785	79%	0.792	S	S	*	*			trans	67.6	87.4	172.3	-59.5	-157.5	100.4	0	0	120.6
111	L	38.8	Very low	38.1	Very low	146 Å²	146	146.7 Å²	146.7	76%	0.764	78%	0.784	S	S	*	*				52	136.4	113.7	-58.9	167.5	0	0	0	119.5
112	L	43	Very low	38.5	Very low	156 Å²	156	139.4 Å²	139.4	82%	0.817	77%	0.77	S	S	*	*			cis	-146.6	161.7	27.8	-70.1	167.6	0	0	0	113
113	P	36.9	Very low	38.8	Very low	129 Å²	129	137.9 Å²	137.9	84%	0.838	77%	0.766	S	S	*	*			trans	-115.9	168.2	-179.2	41.8	-33.1	0	0	0	116.6
114	G	38.8	Very low	38.9	Very low	70 Å²	70	137.9 Å²	137.9	72%	0.722	76%	0.759	S	S	*	*			trans	148	139.9	168	0	0	0	0	0	111.8
115	E	39.1	Very low	39	Very low	198 Å²	198	137.5 Å²	137.5	93%	0.925	75%	0.752	S	S	*	*			cis	-134.7	-164.2	-1.8	-69.5	-177	108.1	0	0	110.6
116	V	40.8	Very low	39.4	Very low	127 Å²	127	135 Å²	135	77%	0.77	74%	0.744	S	S	*	*			trans	-124.6	-167.8	-157.4	-73.9	0	0	0	0	114.5
117	D	40.6	Very low	39.3	Very low	139 Å²	139	136.8 Å²	136.8	74%	0.743	74%	0.744	S	S	*	*			trans	88.6	136	165	-60.2	-0.3	0	0	0	118.8
118	D	41.3	Very low	39.3	Very low	126 Å²	126	135.3 Å²	135.3	67%	0.674	73%	0.733	S	S	*	*			cis	-164.1	169.9	-25.7	-139.7	-3.5	0	0	0	113.2
119	L	41.6	Very low	39.3	Very low	129 Å²	129	135.6 Å²	135.6	68%	0.675	74%	0.738	S	S	*	*			trans	31.2	156.2	148.4	-66.2	165.4	0	0	0	123.2
120	E	39.7	Very low	39.2	Very low	124 Å²	124	132.1 Å²	132.1	58%	0.579	73%	0.732	S	S	*	*			cis	-178.5	158.1	-33	-131.6	-164.5	167.4	0	0	110.2
121	K	37.9	Very low	39.4	Very low	162 Å²	162	131 Å²	131	70%	0.704	74%	0.737	S	S	*	*			trans	61.4	165.5	149.7	-79.9	175.6	-170	135.6	0	119.5
122	S	40.1	Very low	39.5	Very low	91 Å²	91	131.8 Å²	131.8	64%	0.636	74%	0.741	S	S	*	*			cis	-164.6	130.9	-13.7	46.5	0	0	0	0	108.8
123	E	38.8	Very low	40	Very low	161 Å²	161	129.6 Å²	129.6	75%	0.752	74%	0.735	S	S	*	*				94.6	137.2	103.4	-82.2	-171.8	-161.7	0	0	118.5
124	N	36.2	Very low	40.4	Very low	124 Å²	124	128.6 Å²	128.6	66%	0.663	73%	0.729	S	S	*	*			trans	67.4	154	135.2	-65.7	-20.9	0	0	0	120.3
125	I	40	Very low	40.5	Very low	125 Å²	125	133.8 Å²	133.8	64%	0.641	73%	0.732	S	S	*	*			cis	-163	150.4	-3.5	-120.7	168.4	0	0	0	111.9
126	D	39.1	Very low	40.6	Very low	139 Å²	139	130.4 Å²	130.4	74%	0.743	72%	0.72	S	S	*	*			trans	46.7	-174.4	153.7	-55.5	-12.1	0	0	0	120.4
127	E	39	Very low	40.8	Very low	171 Å²	171	132.1 Å²	132.1	80%	0.799	73%	0.725	S	S	*	*			cis	-158.1	159.4	-19.6	-112.6	-108	128.8	0	0	104.9
128	S	39.2	Very low	40.9	Very low	81 Å²	81	134.1 Å²	134.1	57%	0.566	73%	0.73	S	S	*	*			cis	-178.4	-146.9	-17	66.4	0	0	0	0	110.7
129	S	38.5	Very low	41	Very low	119 Å²	119	132.6 Å²	132.6	83%	0.832	73%	0.726	S	S	*	*			trans	86.5	152.2	161.8	-153.1	0	0	0	0	120
130	A	35.7	Very low	40.8	Very low	90 Å²	90	133.9 Å²	133.9	74%	0.744	73%	0.733	S	S	*	*			trans	-154.8	175.6	-164.2	0	0	0	0	0	112.6
131	V	42.3	Very low	40.5	Very low	145 Å²	145	133.9 Å²	133.9	88%	0.879	74%	0.737	S	S	*	*			trans	-163.6	159.9	156.1	130.3	0	0	0	0	110.5
132	L	39.9	Very low	40.4	Very low	162 Å²	162	133.7 Å²	133.7	85%	0.848	74%	0.739	S	S	*	*			trans	-128	166.8	-167.7	-84.1	173.3	0	0	0	114
133	P	54.8	Low	40.2	Very low	109 Å²	109	136.4 Å²	136.4	71%	0.708	75%	0.746	S	S	*	*			trans	-91	-168.6	-168.6	39.3	-38.8	0	0	0	113.9
134	P	45.9	Very low	40.1	Very low	108 Å²	108	136.3 Å²	136.3	70%	0.701	74%	0.744	S	S	*	*				-156.6	167.2	103	41.6	-24	0	0	0	118.6
135	K	39.2	Very low	40	Very low	180 Å²	180	138 Å²	138	78%	0.783	75%	0.747	S	S	*	*			trans	71.1	155.2	139.2	-83.1	177.5	170.4	-156.2	0	121.4
136	D	41	Very low	39.8	Very low	126 Å²	126	139.9 Å²	139.9	67%	0.674	76%	0.759	S	S	*	*			cis	-148.7	172.2	12.7	-94.3	-42.8	0	0	0	113
137	D	45.1	Very low	39.7	Very low	164 Å²	164	140.7 Å²	140.7	88%	0.877	76%	0.763	S	S	*	*			trans	79.1	158.3	154.4	-65.3	-23	0	0	0	125.4
138	E	43	Very low	39.5	Very low	181 Å²	181	136.3 Å²	136.3	85%	0.846	76%	0.763	S	S	*	*			trans	-130.2	-170.9	-155.2	-118.8	-160.3	-171.3	0	0	112.1
139	P	43.6	Very low	39	Very low	93 Å²	93	137.7 Å²	137.7	60%	0.604	77%	0.773	S	S	*	*			cis	-130.9	178.4	-45.5	37.4	-21.5	0	0	0	113.1
140	L	37.6	Very low	38.9	Very low	156 Å²	156	142.4 Å²	142.4	82%	0.817	77%	0.774	S	S	*	*			trans	172.4	132.6	131.5	-96.5	164.2	0	0	0	115.2
141	N	34.3	Very low	38.8	Very low	124 Å²	124	142.2 Å²	142.2	66%	0.663	77%	0.768	S	S	*	*			trans	30.6	140	152.8	-76.4	33.2	0	0	0	125.9
142	E	35	Very low	38.1	Very low	159 Å²	159	140.1 Å²	140.1	74%	0.743	77%	0.765	S	S	*	*			trans	84.2	109.3	139.7	-76.3	159.9	-125.2	0	0	121.6
143	D	35	Very low	37.7	Very low	148 Å²	148	139 Å²	139	79%	0.791	77%	0.765	S	S	*	*			trans	73.7	136.9	140.8	-77.8	8.4	0	0	0	123.6
144	K	37.3	Very low	36.6	Very low	159 Å²	159	143.2 Å²	143.2	69%	0.691	77%	0.772	S	S	*	*			trans	94.6	136.7	154.7	-74.4	163.2	157.7	-93.4	0	121.8
145	E	35.5	Very low	36	Very low	158 Å²	158	146.4 Å²	146.4	74%	0.738	78%	0.782	S	S	*	*			trans	55.8	100.6	138.3	-67.9	150.6	-146.2	0	0	118.4
146	D	35.8	Very low	35.6	Very low	165 Å²	165	148.7 Å²	148.7	88%	0.882	79%	0.786	S	S	*	*			trans	-107.8	118.6	164.1	-176.6	19.9	0	0	0	109
147	D	36.1	Very low	35.1	Very low	157 Å²	157	149 Å²	149	84%	0.84	79%	0.788	S	S	*	*			trans	-126.2	88.9	-176.6	-167.1	24.2	0	0	0	110.3	S149	D147-S149 PolarHBondContact O-N 3.44Å
148	G	34.3	Very low	34.6	Very low	78 Å²	78	149.5 Å²	149.5	80%	0.804	79%	0.785	S	S	*	*			trans	-79.2	77.1	-165.2	0	0	0	0	0	115.4
149	S	29.5	Very low	34	Very low	110 Å²	110	148.8 Å²	148.8	77%	0.769	78%	0.781	S	S	*	*			trans	-79.6	132	170	-178.5	0	0	0	0	112.5	D147	D147-S149 PolarHBondContact O-N 3.44Å
150	Y	35.1	Very low	33.3	Very low	218 Å²	218	149.3 Å²	149.3	86%	0.855	79%	0.794	S	S	*	*			trans	-147.8	116.5	163	-149.3	-102.3	0	0	0	116.3
151	S	34.2	Very low	33.1	Very low	87 Å²	87	146.6 Å²	146.6	61%	0.608	79%	0.793	S	S	*	*			trans	44.2	127	156.7	76	0	0	0	0	121.4
152	A	27.3	Very low	32.9	Very low	100 Å²	100	147.9 Å²	147.9	83%	0.826	80%	0.8	S	S	*	*			trans	-88.2	158	164.6	0	0	0	0	0	112.9
153	V	32.9	Very low	32.7	Very low	139 Å²	139	150.4 Å²	150.4	84%	0.842	81%	0.805	S	S	*	*			trans	-120.7	129.7	163.2	178	0	0	0	0	108.8
154	K	30.7	Very low	32.6	Very low	197 Å²	197	148.9 Å²	148.9	86%	0.857	80%	0.803	S	S	*	*			trans	-87	134.4	178.3	-78.2	178.4	171.4	179.1	0	111.7
155	L	33.1	Very low	32.1	Very low	176 Å²	176	148.5 Å²	148.5	92%	0.921	81%	0.808	S	S	*	*			trans	-132.1	160.6	148.6	-79.3	177.4	0	0	0	109.2
156	R	31.5	Very low	31.9	Very low	227 Å²	227	150.1 Å²	150.1	86%	0.857	82%	0.816	S	S	*	*			trans	-97.9	137.4	-157.1	-74.2	177.1	167.7	128.9	-8.7	114.5
157	D	29.4	Very low	31.4	Very low	134 Å²	134	148.6 Å²	148.6	72%	0.717	81%	0.806	S	S	*	*				37.4	118.4	126.8	-36.1	-37.1	0	0	0	119.6
158	H	34.9	Very low	31	Very low	174 Å²	174	149.3 Å²	149.3	81%	0.806	81%	0.805	S	S	*	*			trans	-151.1	128.6	138.3	-109.7	-81.5	0	0	0	111.4
159	E	31.8	Very low	30.6	Very low	165 Å²	165	152 Å²	152	77%	0.771	81%	0.806	S	S	*	*			trans	28.7	98.1	159.2	-72.1	154.6	118.8	0	0	121.9
160	A	28.7	Very low	30.6	Very low	105 Å²	105	150.8 Å²	150.8	87%	0.868	79%	0.793	S	S	*	*				15.8	126.2	126.8	0	0	0	0	0	120.9
161	A	32.7	Very low	30.2	Very low	98 Å²	98	148.9 Å²	148.9	81%	0.81	79%	0.79	S	S	*	*			trans	-132.7	135.7	142.1	0	0	0	0	0	108.3
162	D	29.2	Very low	30	Very low	151 Å²	151	154 Å²	154	81%	0.807	80%	0.796	S	S	*	*			trans	-100	129	-166.5	-172.9	19.8	0	0	0	112.3
163	Y	31.3	Very low	30.1	Very low	213 Å²	213	155.3 Å²	155.3	84%	0.835	79%	0.794	S	S	*	*			trans	-149.2	133.1	170.7	-87	-81.3	0	0	0	110
164	P	34.1	Very low	30.1	Very low	116 Å²	116	155.8 Å²	155.8	75%	0.753	79%	0.792	S	S	*	*			trans	-80	152.9	-172.2	31.8	-36.3	0	0	0	113.9
165	N	26.7	Very low	30.1	Very low	150 Å²	150	154.2 Å²	154.2	80%	0.802	79%	0.792	S	S	*	*			trans	-77.6	122.1	172.4	-67.9	-47.2	0	0	0	111.6
166	E	30.2	Very low	30.2	Very low	192 Å²	192	150.5 Å²	150.5	90%	0.897	79%	0.787	S	S	*	*			trans	-127.7	83.2	157.3	-72	-163.5	148.1	0	0	110
167	I	26.7	Very low	30.2	Very low	134 Å²	134	144.5 Å²	144.5	69%	0.687	79%	0.786	S	S	*	*			trans	-95.6	85.7	169.1	-58.4	173.4	0	0	0	108.1
168	Q	27	Very low	30.5	Very low	172 Å²	172	143.4 Å²	143.4	80%	0.804	79%	0.789	S	S	*	*			trans	175.4	144.3	152.3	-101.1	158.3	37.7	0	0	111.6
169	T	26.4	Very low	30.5	Very low	135 Å²	135	141 Å²	141	83%	0.828	79%	0.786	S	S	*	*			trans	64.7	162.1	178.7	72.3	0	0	0	0	114.3
170	V	29.4	Very low	30.5	Very low	83 Å²	83	141.6 Å²	141.6	50%	0.503	79%	0.789	S	S	.	*			cis	-141.9	145.2	8.7	-138.2	0	0	0	0	110.3	R172	V170-R172 HydrophobicContact CB-CB 4.22Å; V170-R172 HydrophobicContact CB-CG 4.25Å; V170-R172 HydrophobicContact CG1-CG 4.2Å; V170-R172 HydrophobicContact CG2-CG 4.47Å; V170-R172 PolarHBondContact O-N 3.49Å
171	F	27.1	Very low	30.8	Very low	179 Å²	179	142.5 Å²	142.5	79%	0.785	79%	0.79	S	S	*	*			trans	-74.5	114.5	143.3	-82.8	-81.2	0	0	0	106.8	P646	F171-P646 HydrophobicContact CZ-CG 4.06Å
172	R	28.8	Very low	30.8	Very low	194 Å²	194	144 Å²	144	73%	0.732	79%	0.791	S	S	*	*			trans	-121.4	110.7	-179.4	-126.3	175.2	-168	140.3	4.9	110.6	V170	V170-R172 HydrophobicContact CB-CB 4.22Å; V170-R172 HydrophobicContact CB-CG 4.25Å; V170-R172 HydrophobicContact CG1-CG 4.2Å; V170-R172 HydrophobicContact CG2-CG 4.47Å; V170-R172 PolarHBondContact O-N 3.49Å
173	T	29	Very low	31	Very low	128 Å²	128	143.6 Å²	143.6	79%	0.785	80%	0.798	S	S	*	*			trans	-92.8	112.5	168.4	48.3	0	0	0	0	108.7	D175	T173-D175 PolarHBondContact O-N 3.24Å
174	D	34.4	Very low	31	Very low	149 Å²	149	138.4 Å²	138.4	80%	0.797	79%	0.793	S	S	*	*			trans	-90.2	88.4	177.1	-72.2	-30.3	0	0	0	110.8
175	D	29.2	Very low	30.9	Very low	163 Å²	163	137.1 Å²	137.1	87%	0.872	79%	0.787	S	S	*	*			trans	-79.7	125.6	166.6	-102.7	-44.2	0	0	0	110.7	T173	T173-D175 PolarHBondContact O-N 3.24Å
176	A	36	Very low	31.4	Very low	99 Å²	99	138.5 Å²	138.5	82%	0.818	79%	0.786	S	S	*	*			trans	-138.9	100.8	177.1	0	0	0	0	0	111.4
177	A	31.8	Very low	31.5	Very low	100 Å²	100	137.1 Å²	137.1	83%	0.826	78%	0.779	S	S	*	*			trans	-90	133.1	-176.7	0	0	0	0	0	113.5
178	S	35.4	Very low	31.8	Very low	112 Å²	112	140 Å²	140	78%	0.783	79%	0.787	S	S	*	*			trans	171.9	144.1	158.7	-79.5	0	0	0	0	108.9
179	T	34.7	Very low	31.9	Very low	122 Å²	122	139.1 Å²	139.1	75%	0.748	79%	0.787	S	S	*	*			cis	-159.8	145	-6.4	16.4	0	0	0	0	109.5
180	E	32.4	Very low	32.2	Very low	178 Å²	178	137 Å²	137	83%	0.832	78%	0.777	S	S	*	*			trans	29.5	122.7	151.6	-57.9	-174.3	-169	0	0	122.5
181	S	33.7	Very low	32.3	Very low	125 Å²	125	140.3 Å²	140.3	87%	0.874	79%	0.792	S	S	*	*				-175.9	119.6	126.1	-83.9	0	0	0	0	112.9
182	P	34.2	Very low	32.7	Very low	129 Å²	129	140.9 Å²	140.9	84%	0.838	80%	0.798	S	S	*	*			trans	-106.9	141.9	173.7	36.5	-29.4	0	0	0	113.7
183	C	32.1	Very low	32.8	Very low	142 Å²	142	137.6 Å²	137.6	96%	0.959	80%	0.799	S	S	*	*			trans	-151.8	169.2	157.1	-153.5	0	0	0	0	111.5
184	S	31.2	Very low	33.2	Very low	105 Å²	105	137.5 Å²	137.5	73%	0.734	80%	0.803	S	S	*	*			trans	-142.8	175.9	-156.3	178.9	0	0	0	0	113.2
185	S	33.3	Very low	32.9	Very low	88 Å²	88	136.8 Å²	136.8	62%	0.615	80%	0.804	S	S	*	*			trans	79.8	147.1	169.1	-65.7	0	0	0	0	117.2
186	K	36.7	Very low	33.4	Very low	180 Å²	180	133.8 Å²	133.8	78%	0.783	80%	0.802	S	S	*	*			cis	-158.6	164.8	1.7	-117.1	155.4	-160.7	164.3	0	112.2
187	H	32.7	Very low	33.2	Very low	162 Å²	162	136.4 Å²	136.4	75%	0.75	80%	0.803	S	S	*	*			trans	-13.5	147.1	159.3	-67.8	-108	0	0	0	118
188	F	31.5	Very low	33.6	Very low	196 Å²	196	139.7 Å²	139.7	86%	0.86	80%	0.803	S	S	*	*				-161.4	165.9	71	-118.6	-91	0	0	0	116.2
189	L	30.8	Very low	33.5	Very low	152 Å²	152	142.5 Å²	142.5	80%	0.796	80%	0.804	S	S	*	*			trans	-85.7	-179.8	165	-56	165.6	0	0	0	109.4
190	S	31.1	Very low	33.5	Very low	90 Å²	90	140.6 Å²	140.6	63%	0.629	80%	0.801	S	S	*	*			cis	-171.4	157.7	17.2	15.1	0	0	0	0	109.5
191	D	31.3	Very low	33.6	Very low	154 Å²	154	140.1 Å²	140.1	82%	0.824	80%	0.804	S	S	*	*			trans	55.6	159.1	150.4	-46.4	-29.8	0	0	0	119.3
192	E	35.8	Very low	33.6	Very low	191 Å²	191	137.3 Å²	137.3	89%	0.893	80%	0.795	S	S	*	*			cis	-143	179.4	24.5	-92	-162.7	137.4	0	0	114.2
193	V	31.6	Very low	33.6	Very low	125 Å²	125	142.5 Å²	142.5	76%	0.758	80%	0.797	S	S	*	*			trans	-101.9	146.4	178.2	174.3	0	0	0	0	111.9
194	S	36.6	Very low	33.7	Very low	126 Å²	126	141.4 Å²	141.4	88%	0.881	79%	0.791	S	S	*	*			trans	-157	147.4	156.1	-87.7	0	0	0	0	113.7
195	T	29.9	Very low	33.8	Very low	133 Å²	133	142.6 Å²	142.6	82%	0.816	80%	0.799	S	S	*	*			trans	-124.4	147.4	-171.1	53.4	0	0	0	0	112.8
196	A	38	Very low	33.5	Very low	101 Å²	101	142.9 Å²	142.9	84%	0.835	81%	0.807	S	S	*	*			trans	-159.7	144.9	159.1	0	0	0	0	0	113.1
197	D	31.5	Very low	33.5	Very low	154 Å²	154	142 Å²	142	82%	0.824	81%	0.81	S	S	*	*			trans	-87.3	162.6	176.4	-60.3	-89.8	0	0	0	113.8
198	M	40.2	Very low	33.3	Very low	169 Å²	169	141.8 Å²	141.8	83%	0.833	81%	0.809	S	S	*	*				177.9	121.5	106.6	-95	-165.3	173.5	0	0	116.9
199	Q	34.5	Very low	33.1	Very low	170 Å²	170	139.3 Å²	139.3	79%	0.794	81%	0.805	S	S	*	*			trans	38.5	106.5	132.8	-61.3	-174.7	-8.8	0	0	122.8
200	A	34.9	Very low	32.9	Very low	83 Å²	83	142.6 Å²	142.6	69%	0.686	81%	0.807	S	S	*	*				44.8	122.7	119.9	0	0	0	0	0	122.5
201	N	34.6	Very low	32.8	Very low	168 Å²	168	146.8 Å²	146.8	90%	0.898	82%	0.817	S	S	*	*				175	147.2	102.9	-97.2	-63.5	0	0	0	115.1
202	G	32.2	Very low	32.6	Very low	66 Å²	66	145.7 Å²	145.7	68%	0.68	82%	0.816	S	S	*	*			trans	105.8	106.8	131.6	0	0	0	0	0	122
203	R	35.5	Very low	32.5	Very low	238 Å²	238	145.7 Å²	145.7	90%	0.898	81%	0.813	S	S	*	*			trans	66.8	100.5	139.5	-62.5	179.7	175.3	173	-1.2	121.1
204	S	33.3	Very low	32.5	Very low	119 Å²	119	148.5 Å²	148.5	83%	0.832	82%	0.818	S	S	*	*				39.5	109.1	119.6	-48.2	0	0	0	0	121.1
205	S	33	Very low	32.5	Very low	129 Å²	129	148.1 Å²	148.1	90%	0.902	82%	0.816	S	S	*	*				-166.1	162.2	120.6	42.1	0	0	0	0	110.5
206	A	28.6	Very low	32.7	Very low	94 Å²	94	149.1 Å²	149.1	78%	0.777	82%	0.816	S	S	*	*			trans	-99.7	149.1	-178.4	0	0	0	0	0	111.5
207	L	35	Very low	32.6	Very low	162 Å²	162	152.1 Å²	152.1	85%	0.848	82%	0.818	S	S	*	*			trans	-171.4	167.6	147.2	-102.3	164	0	0	0	110
208	Q	29.8	Very low	32.8	Very low	157 Å²	157	147.8 Å²	147.8	73%	0.734	81%	0.809	S	S	*	*			trans	-74.7	134.4	-173.1	-53.7	105.6	-53	0	0	113.5
209	N	27.5	Very low	32.6	Very low	145 Å²	145	142.9 Å²	142.9	78%	0.775	80%	0.802	S	S	*	*				-176	146.9	120.3	-104.5	-61.6	0	0	0	114.7
210	R	26.3	Very low	33	Very low	220 Å²	220	139.9 Å²	139.9	83%	0.83	80%	0.8	S	S	*	*				40.3	144.1	128.4	-133.6	175.9	178.8	162.7	-3.3	121.4
211	Q	27.9	Very low	33.5	Very low	179 Å²	179	138.2 Å²	138.2	84%	0.836	78%	0.779	S	S	*	*			trans	75.1	88.9	166.9	-61.7	176.7	-73.7	0	0	117.6
212	T	28.3	Very low	34.2	Very low	131 Å²	131	135.4 Å²	135.4	80%	0.804	77%	0.765	S	S	*	*			trans	-149.7	143.2	152.1	52.4	0	0	0	0	107.7
213	F	33.5	Very low	35.1	Very low	190 Å²	190	136.3 Å²	136.3	83%	0.833	76%	0.76	S	S	*	*			cis	-142.9	148.9	-18.6	-134.8	-86.9	0	0	0	106.9
214	E	30.8	Very low	35.8	Very low	185 Å²	185	130.2 Å²	130.2	86%	0.864	75%	0.749	S	S	*	*			trans	-82.9	144.9	171.6	-71.6	161	136.9	0	0	109.7
215	S	36.2	Very low	36.6	Very low	118 Å²	118	126.7 Å²	126.7	83%	0.825	72%	0.723	S	S	*	*			trans	-136	123.4	174.7	-51.8	0	0	0	0	108.1
216	D	35.7	Very low	37.6	Very low	153 Å²	153	123.3 Å²	123.3	82%	0.818	70%	0.697	S	S	*	*			trans	-78.9	159.1	-169.6	-85.9	-43.2	0	0	0	115.6
217	D	34.4	Very low	38.9	Very low	164 Å²	164	127.6 Å²	127.6	88%	0.877	69%	0.693	S	S	*	*			trans	39.7	126.3	151.3	-73.9	-24.1	0	0	0	122
218	G	35.7	Very low	39.8	Very low	63 Å²	63	123.7 Å²	123.7	65%	0.649	68%	0.684	S	S	*	*			trans	179	75.3	168.7	0	0	0	0	0	115.5
219	G	35.9	Very low	41.5	Very low	66 Å²	66	118.4 Å²	118.4	68%	0.68	67%	0.672	S	S	*	*			trans	101.1	109.8	152.6	0	0	0	0	0	119.8	L221	G219-L221 PolarHBondContact O-N 3.06Å
220	S	44.7	Very low	44.2	Very low	108 Å²	108	112.3 Å²	112.3	76%	0.755	64%	0.643	S	S	*	*			trans	52.1	49.6	134.1	-142.1	0	0	0	0	121.5
221	L	43.8	Very low	47	Very low	47 Å²	47	104.5 Å²	104.5	25%	0.246	62%	0.617	C	S	.	*	S	Bend	trans	-131.7	145.1	145.5	-73.6	176.2	0	0	0	108.4	G219 S223 V226 D261 L265	G219-L221 PolarHBondContact O-N 3.06Å; L221-S223 PolarHBondContact O-N 3.16Å; L221-S223 VanDerWaalsContact O-N 3.11Å; L221-V226 HydrophobicContact CB-CG2 3.94Å; L221-D261 HydrophobicContact CD2-CB 4.01Å; L221-L265 HydrophobicContact CD1-CB 4.5Å; L221-L265 HydrophobicContact CD1-CD1 4.33Å
222	N	49.7	Very low	50	Low	110 Å²	110	100.2 Å²	100.2	59%	0.588	60%	0.6	S	S	*	*			trans	-58.1	121.2	-168.7	-82.1	-78.7	0	0	0	112	T224 V225 V226 D261	N222-T224 PolarHBondContact O-N 2.98Å; N222-V225 PolarHBondContact O-N 2.9Å; N222-V226 PolarHBondContact O-N 2.67Å; N222-D261 VanDerWaalsContact CB-OD2 3.3Å; N222-D261 WeakPolarHBondContact CB-OD2 3.29Å; N222-D261 PolarHBondContact N-OD2 3.41Å; N222-D261 PolarHBondContact ND2-OD2 3.45Å
223	S	52.5	Low	53	Low	85 Å²	85	95.3 Å²	95.3	59%	0.594	57%	0.573	S	S	*	*	H	α-helix	trans	-43.6	-40.6	-171.6	176	0	0	0	0	113.9	L221 V225 V226 R227	L221-S223 PolarHBondContact O-N 3.16Å; L221-S223 VanDerWaalsContact O-N 3.11Å; S223-V225 VanDerWaalsContact C-N 3.31Å; S223-V225 PolarHBondContact O-N 3.34Å; S223-V226 PolarHBondContact O-N 3.09Å; S223-V226 VanDerWaalsContact O-N 3.1Å; S223-R227 WeakPolarHBondContact O-CG 3.41Å; S223-R227 PolarHBondContact O-N 3.39Å
224	T	48.5	Very low	55.8	Low	109 Å²	109	86.2 Å²	86.2	67%	0.669	53%	0.533	S	S	*	.	H	α-helix	trans	-56.3	-37.5	178.4	-45.4	0	0	0	0	114	N222	N222-T224 PolarHBondContact O-N 2.98Å
225	V	51.5	Low	58.8	Low	45 Å²	45	81.6 Å²	81.6	27%	0.273	51%	0.51	S	S	.	.	H	α-helix	trans	-77.1	-35.1	176.8	-178.8	0	0	0	0	110.9	N222 S223 R227 G230 F262	N222-V225 PolarHBondContact O-N 2.9Å; S223-V225 VanDerWaalsContact C-N 3.31Å; S223-V225 PolarHBondContact O-N 3.34Å; V225-R227 VanDerWaalsContact C-N 3.3Å; V225-R227 PolarHBondContact O-N 2.84Å; V225-G230 WeakPolarHBondContact O-CA 3.24Å; V225-F262 HydrophobicContact CG1-CB 4.17Å; V225-F262 HydrophobicContact CG1-CD2 4.24Å
226	V	54	Low	61.5	Low	59 Å²	59	83.2 Å²	83.2	36%	0.358	50%	0.498	S	S	.	.	H	α-helix	trans	-72.8	-21.5	-175.8	-176	0	0	0	0	112.5	L221 N222 S223 A228 I231	L221-V226 HydrophobicContact CB-CG2 3.94Å; N222-V226 PolarHBondContact O-N 2.67Å; S223-V226 PolarHBondContact O-N 3.09Å; S223-V226 VanDerWaalsContact O-N 3.1Å; V226-A228 PolarHBondContact O-N 3.39Å; V226-I231 HydrophobicContact CG1-CD1 4.25Å
227	R	54.3	Low	64.3	Low	183 Å²	183	77.8 Å²	77.8	69%	0.691	47%	0.469	S	S	*	.	S	Bend	trans	-51.2	91.6	176.6	-73.4	178.8	-176.3	-165.5	-0	113.7	S223 V225 G229	S223-R227 WeakPolarHBondContact O-CG 3.41Å; S223-R227 PolarHBondContact O-N 3.39Å; V225-R227 VanDerWaalsContact C-N 3.3Å; V225-R227 PolarHBondContact O-N 2.84Å; R227-G229 PolarHBondContact O-N 3.44Å
228	A	55.4	Low	67.1	Low	81 Å²	81	70 Å²	70	67%	0.669	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.3	-53.7	165	0	0	0	0	0	119.2	V226 N232	V226-A228 PolarHBondContact O-N 3.39Å; A228-N232 PolarHBondContact O-ND2 2.63Å
229	G	65.9	Low	69.8	Low	46 Å²	46	72.5 Å²	72.5	47%	0.474	42%	0.417	S	S	.	.	H	α-helix	trans	-73.5	-33.7	175.9	0	0	0	0	0	113.8	R227 N232 A233	R227-G229 PolarHBondContact O-N 3.44Å; G229-N232 CarbonylContact O-C 3.58Å; G229-N232 PolarHBondContact O-N 3.3Å; G229-A233 WeakPolarHBondContact O-CB 3.49Å; G229-A233 PolarHBondContact O-N 2.82Å
230	G	82.7	Confident	72.6	Confident	16 Å²	16	74.1 Å²	74.1	17%	0.165	40%	0.402	C	S	.	.	H	α-helix	trans	-64.3	-51.1	-171.9	0	0	0	0	0	114.4	V225 N232 A233 A234	V225-G230 WeakPolarHBondContact O-CA 3.24Å; G230-N232 PolarHBondContact O-N 3.06Å; G230-A233 WeakPolarHBondContact O-CB 3.2Å; G230-A233 PolarHBondContact O-N 2.83Å; G230-A234 PolarHBondContact O-N 2.71Å
231	I	86.6	Confident	74.8	Confident	57 Å²	57	69 Å²	69	29%	0.292	37%	0.367	S	S	.	.	H	α-helix	trans	-56.7	-40.5	174.3	-60.5	168	0	0	0	110.9	V226 A234 K235 L265	V226-I231 HydrophobicContact CG1-CD1 4.25Å; I231-A234 PolarHBondContact O-N 3.32Å; I231-K235 HydrophobicContact CG2-CD 4.14Å; I231-K235 WeakPolarHBondContact O-CB 3.4Å; I231-K235 WeakPolarHBondContact O-CG 3.08Å; I231-K235 PolarHBondContact O-N 3.12Å; I231-L265 HydrophobicContact CG1-CD2 4.11Å
232	N	89.6	Confident	77.1	Confident	88 Å²	88	67.6 Å²	67.6	47%	0.471	36%	0.358	S	S	.	.	H	α-helix	trans	-71.1	-31.2	178.7	-73.6	-61.7	0	0	0	112.5	A228 G229 G230 R236	A228-N232 PolarHBondContact O-ND2 2.63Å; G229-N232 CarbonylContact O-C 3.58Å; G229-N232 PolarHBondContact O-N 3.3Å; G230-N232 PolarHBondContact O-N 3.06Å; N232-R236 WeakPolarHBondContact O-CG 3.17Å; N232-R236 PolarHBondContact O-N 3.42Å; N232-R236 PolarHBondContact O-NH1 2.77Å; N232-R236 VanDerWaalsContact O-NH1 3.08Å
233	A	92.2	Very high	79	Confident	28 Å²	28	66.9 Å²	66.9	23%	0.231	35%	0.351	C	S	.	.	H	α-helix	trans	-70.8	-42.9	171.2	0	0	0	0	0	111.7	G229 G230 R236 L237 F262	G229-A233 WeakPolarHBondContact O-CB 3.49Å; G229-A233 PolarHBondContact O-N 2.82Å; G230-A233 WeakPolarHBondContact O-CB 3.2Å; G230-A233 PolarHBondContact O-N 2.83Å; A233-R236 PolarHBondContact O-N 3.44Å; A233-L237 PolarHBondContact O-N 3.44Å; A233-F262 HydrophobicContact CB-CE2 4.06Å; A233-F262 HydrophobicContact CB-CZ 4.21Å
234	A	92.5	Very high	80.6	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60	-46.9	175.3	0	0	0	0	0	111.3	G230 I231 R236 L237 A238 F262 L265 V266	G230-A234 PolarHBondContact O-N 2.71Å; I231-A234 PolarHBondContact O-N 3.32Å; A234-R236 VanDerWaalsContact C-N 3.32Å; A234-R236 PolarHBondContact O-N 3.28Å; A234-L237 PolarHBondContact O-N 2.81Å; A234-A238 WeakPolarHBondContact O-CB 3.42Å; A234-A238 PolarHBondContact O-N 3.19Å; A234-F262 HydrophobicContact CB-CD2 4.45Å; A234-F262 HydrophobicContact CB-CE2 3.88Å; A234-F262 HydrophobicContact CB-CZ 4.39Å; A234-L265 HydrophobicContact CB-CB 4.3Å; A234-L265 HydrophobicContact CB-CD2 3.93Å; A234-L265 HydrophobicContact CB-CG 3.72Å; A234-V266 HydrophobicContact CB-CG2 3.82Å
235	K	92.3	Very high	82.6	Confident	87 Å²	87	62.4 Å²	62.4	38%	0.378	32%	0.316	S	S	.	.	H	α-helix	trans	-57.7	-38.4	173.6	-78.4	175.3	176.1	173.1	0	113.6	I231 R239 E269	I231-K235 HydrophobicContact CG2-CD 4.14Å; I231-K235 WeakPolarHBondContact O-CB 3.4Å; I231-K235 WeakPolarHBondContact O-CG 3.08Å; I231-K235 PolarHBondContact O-N 3.12Å; K235-R239 VanDerWaalsContact O-CB 3.29Å; K235-R239 WeakPolarHBondContact O-CB 3.36Å; K235-R239 PolarHBondContact O-N 3.37Å; K235-R239 VanDerWaalsContact O-N 3.1Å; K235-E269 WeakPolarHBondContact CE-OE2 3.29Å; K235-E269 HydrophobicContact CG-CB 4.25Å; K235-E269 HydrophobicContact CG-CG 3.77Å; K235-E269 VanDerWaalsContact CG-OE2 3.25Å; K235-E269 WeakPolarHBondContact CG-OE2 3.46Å
236	R	93.9	Very high	84.3	Confident	152 Å²	152	63.5 Å²	63.5	57%	0.574	34%	0.336	S	S	*	.	H	α-helix	trans	-69.9	-44.2	175.1	-74.2	-172.5	-53	-88.6	4.7	112	N232 A233 A234 R239 R240	N232-R236 WeakPolarHBondContact O-CG 3.17Å; N232-R236 PolarHBondContact O-N 3.42Å; N232-R236 PolarHBondContact O-NH1 2.77Å; N232-R236 VanDerWaalsContact O-NH1 3.08Å; A233-R236 PolarHBondContact O-N 3.44Å; A234-R236 VanDerWaalsContact C-N 3.32Å; A234-R236 PolarHBondContact O-N 3.28Å; R236-R239 PolarHBondContact O-N 3.43Å; R236-R240 WeakPolarHBondContact O-CG 3.09Å; R236-R240 PolarHBondContact O-N 2.86Å
237	L	94.6	Very high	85.9	Confident	39 Å²	39	62.7 Å²	62.7	20%	0.204	33%	0.328	C	S	.	.	H	α-helix	trans	-67.4	-47.8	179	-179.4	55.8	0	0	0	111.2	A233 A234 R239 R240 L241 F247 F262 V266	A233-L237 PolarHBondContact O-N 3.44Å; A234-L237 PolarHBondContact O-N 2.81Å; L237-R239 VanDerWaalsContact C-N 3.27Å; L237-R239 PolarHBondContact O-N 3.36Å; L237-R240 PolarHBondContact O-N 2.95Å; L237-L241 HydrophobicContact CD1-CD1 4.33Å; L237-L241 HydrophobicContact CD1-CG 4.18Å; L237-L241 HydrophobicContact CG-CD1 4.06Å; L237-L241 HydrophobicContact CG-CG 4.39Å; L237-L241 VanDerWaalsContact O-CG 3.32Å; L237-L241 WeakPolarHBondContact O-CG 3.4Å; L237-L241 PolarHBondContact O-N 2.92Å; L237-F247 HydrophobicContact CD1-CE1 4.46Å; L237-F247 HydrophobicContact CD1-CE2 4.1Å; L237-F247 HydrophobicContact CD1-CZ 3.62Å; L237-F262 HydrophobicContact CD2-CE1 4.01Å; L237-F262 HydrophobicContact CD2-CZ 4.5Å; L237-V266 HydrophobicContact CB-CG1 4.46Å; L237-V266 HydrophobicContact CB-CG2 4.3Å; L237-V266 HydrophobicContact CD2-CG1 4.15Å; L237-V266 HydrophobicContact CD2-CG2 3.92Å; L237-V266 HydrophobicContact CG-CG1 4.06Å; L237-V266 HydrophobicContact CG-CG2 4.37Å
238	A	93.6	Very high	87.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-51.3	-45	172.5	0	0	0	0	0	112.5	A234 L241 Y242 E269 F270	A234-A238 WeakPolarHBondContact O-CB 3.42Å; A234-A238 PolarHBondContact O-N 3.19Å; A238-L241 PolarHBondContact O-N 3.15Å; A238-Y242 WeakPolarHBondContact O-CB 3.32Å; A238-Y242 PolarHBondContact O-N 3.47Å; A238-E269 HydrophobicContact CB-CB 3.7Å; A238-F270 HydrophobicContact CB-CB 4.06Å
239	R	92.5	Very high	88.9	Confident	117 Å²	117	55.2 Å²	55.2	44%	0.442	29%	0.288	S	S	.	.	H	α-helix	trans	-58.8	-51.1	173.6	175.6	172.7	-61.3	-73.6	-7.3	112.1	K235 R236 L237 L241 Y242 E243	K235-R239 VanDerWaalsContact O-CB 3.29Å; K235-R239 WeakPolarHBondContact O-CB 3.36Å; K235-R239 PolarHBondContact O-N 3.37Å; K235-R239 VanDerWaalsContact O-N 3.1Å; R236-R239 PolarHBondContact O-N 3.43Å; L237-R239 VanDerWaalsContact C-N 3.27Å; L237-R239 PolarHBondContact O-N 3.36Å; R239-L241 VanDerWaalsContact C-N 3.32Å; R239-L241 PolarHBondContact O-N 3.35Å; R239-Y242 PolarHBondContact O-N 2.74Å; R239-Y242 VanDerWaalsContact O-N 3.08Å; R239-E243 WeakPolarHBondContact CD-OE1 3.44Å; R239-E243 HydrophobicContact CG-CG 4.21Å; R239-E243 WeakPolarHBondContact CG-OE1 3.3Å; R239-E243 WeakPolarHBondContact CG-OE2 3.46Å; R239-E243 IonicContact CZ-OE1 2.68Å; R239-E243 IonicContact NE-OE1 3.69Å; R239-E243 IonicContact NH1-OE1 3.54Å; R239-E243 PolarHBondContact NH1-OE1 3.38Å; R239-E243 WeakPolarHBondContact O-CB 3.19Å; R239-E243 WeakPolarHBondContact O-CG 3.45Å; R239-E243 PolarHBondContact O-N 3.46Å
240	R	93.3	Very high	89.8	Confident	99 Å²	99	55 Å²	55	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-64.7	-34.4	-178.5	-64.5	178.8	78.8	-122.2	-15.7	112.8	R236 L237 Y242 M244 D245 F247	R236-R240 WeakPolarHBondContact O-CG 3.09Å; R236-R240 PolarHBondContact O-N 2.86Å; L237-R240 PolarHBondContact O-N 2.95Å; R240-Y242 VanDerWaalsContact C-N 3.35Å; R240-M244 CarbonylContact O-C 3.55Å; R240-M244 WeakPolarHBondContact O-CA 3.48Å; R240-M244 PolarHBondContact O-N 3.35Å; R240-D245 HydrophobicContact CB-CB 4.18Å; R240-D245 HydrophobicContact CG-CB 4.38Å; R240-D245 IonicContact CZ-OD2 3.21Å; R240-D245 IonicContact NE-OD2 3.87Å; R240-D245 PolarHBondContact NE-OD2 3.49Å; R240-D245 PolarHBondContact NH2-O 2.98Å; R240-D245 IonicContact NH2-OD1 2.79Å; R240-D245 IonicContact NH2-OD2 2.81Å; R240-D245 PolarHBondContact NH2-OD2 2.91Å; R240-D245 PolarHBondContact O-N 2.92Å; R240-F247 HydrophobicContact CB-CD2 4.27Å; R240-F247 HydrophobicContact CB-CE2 3.8Å
241	L	92.7	Very high	90.2	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-65.8	-36.4	171.9	-65.7	168.7	0	0	0	112	L237 A238 R239 F247 V252 Q255 V266 F270	L237-L241 HydrophobicContact CD1-CD1 4.33Å; L237-L241 HydrophobicContact CD1-CG 4.18Å; L237-L241 HydrophobicContact CG-CD1 4.06Å; L237-L241 HydrophobicContact CG-CG 4.39Å; L237-L241 VanDerWaalsContact O-CG 3.32Å; L237-L241 WeakPolarHBondContact O-CG 3.4Å; L237-L241 PolarHBondContact O-N 2.92Å; A238-L241 PolarHBondContact O-N 3.15Å; R239-L241 VanDerWaalsContact C-N 3.32Å; R239-L241 PolarHBondContact O-N 3.35Å; L241-F247 HydrophobicContact CD2-CB 4.29Å; L241-F247 HydrophobicContact CD2-CD1 3.77Å; L241-F247 HydrophobicContact CD2-CD2 3.94Å; L241-F247 HydrophobicContact CD2-CE1 4Å; L241-F247 HydrophobicContact CD2-CE2 4.17Å; L241-F247 HydrophobicContact CD2-CG 3.73Å; L241-F247 HydrophobicContact CD2-CZ 4.2Å; L241-V252 HydrophobicContact CB-CG2 4.27Å; L241-V252 HydrophobicContact CD2-CG2 4.01Å; L241-Q255 HydrophobicContact CD1-CB 4.38Å; L241-Q255 HydrophobicContact CD1-CG 3.83Å; L241-V266 HydrophobicContact CD1-CG1 3.71Å; L241-F270 HydrophobicContact CB-CD2 3.91Å; L241-F270 HydrophobicContact CB-CE2 4.04Å
242	Y	90.8	Very high	90.4	Very high	17 Å²	17	54.2 Å²	54.2	7%	0.067	27%	0.271	C	S	.	.	H	α-helix	trans	-78.5	-36.1	179	-169.4	-90.1	0	0	0	113.3	A238 R239 R240 M244 F270 M273 F274 Y291 L409	A238-Y242 WeakPolarHBondContact O-CB 3.32Å; A238-Y242 PolarHBondContact O-N 3.47Å; R239-Y242 PolarHBondContact O-N 2.74Å; R239-Y242 VanDerWaalsContact O-N 3.08Å; R240-Y242 VanDerWaalsContact C-N 3.35Å; Y242-M244 PolarHBondContact O-N 2.93Å; Y242-F270 HydrophobicContact CD2-CD2 4.35Å; Y242-F270 HydrophobicContact CD2-CE2 4.1Å; Y242-M273 HydrophobicContact CD1-CB 3.99Å; Y242-M273 HydrophobicContact CD2-CB 3.5Å; Y242-M273 VanDerWaalsContact CD2-CB 3.5Å; Y242-M273 HydrophobicContact CD2-CG 4.27Å; Y242-M273 HydrophobicContact CE1-CB 4.07Å; Y242-M273 HydrophobicContact CE2-CB 3.57Å; Y242-M273 HydrophobicContact CG-CB 3.7Å; Y242-M273 HydrophobicContact CG-CG 4.14Å; Y242-F274 HydrophobicContact CD2-CD2 4.05Å; Y242-F274 AromaticContact CD2-CE2 3.66Å; Y242-F274 HydrophobicContact CD2-CE2 3.66Å; Y242-F274 HydrophobicContact CD2-CZ 4.02Å; Y242-F274 AromaticContact CE2-CD1 3.98Å; Y242-F274 HydrophobicContact CE2-CD1 3.98Å; Y242-F274 AromaticContact CE2-CD2 3.54Å; Y242-F274 HydrophobicContact CE2-CD2 3.54Å; Y242-F274 AromaticContact CE2-CE1 3.94Å; Y242-F274 HydrophobicContact CE2-CE1 3.94Å; Y242-F274 AromaticContact CE2-CE2 3.49Å; Y242-F274 HydrophobicContact CE2-CE2 3.49Å; Y242-F274 VanDerWaalsContact CE2-CE2 3.49Å; Y242-F274 AromaticContact CE2-CG 3.79Å; Y242-F274 HydrophobicContact CE2-CG 3.79Å; Y242-F274 AromaticContact CE2-CZ 3.7Å; Y242-F274 HydrophobicContact CE2-CZ 3.7Å; Y242-Y291 WeakPolarHBondContact O-CE1 3.24Å; Y242-L409 HydrophobicContact CE1-CD1 3.91Å; Y242-L409 WeakPolarHBondContact OH-CD1 3.47Å; Y242-L409 VanDerWaalsContact OH-CD2 3.28Å; Y242-L409 WeakPolarHBondContact OH-CD2 3.38Å
243	E	89.3	Confident	90.3	Very high	95 Å²	95	50.5 Å²	50.5	44%	0.444	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-3.2	174.6	-68.9	167.4	-176.1	0	0	111.9	R239 D245	R239-E243 WeakPolarHBondContact CD-OE1 3.44Å; R239-E243 HydrophobicContact CG-CG 4.21Å; R239-E243 WeakPolarHBondContact CG-OE1 3.3Å; R239-E243 WeakPolarHBondContact CG-OE2 3.46Å; R239-E243 IonicContact CZ-OE1 2.68Å; R239-E243 IonicContact NE-OE1 3.69Å; R239-E243 IonicContact NH1-OE1 3.54Å; R239-E243 PolarHBondContact NH1-OE1 3.38Å; R239-E243 WeakPolarHBondContact O-CB 3.19Å; R239-E243 WeakPolarHBondContact O-CG 3.45Å; R239-E243 PolarHBondContact O-N 3.46Å; E243-D245 PolarHBondContact O-N 3.27Å
244	M	87.3	Confident	90.2	Very high	19 Å²	19	54.9 Å²	54.9	9%	0.094	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	27	-178.5	-58.6	-67.2	-61.9	0	0	113.8	R240 Y242 G246 F247 P249 V252 Y291 L402	R240-M244 CarbonylContact O-C 3.55Å; R240-M244 WeakPolarHBondContact O-CA 3.48Å; R240-M244 PolarHBondContact O-N 3.35Å; Y242-M244 PolarHBondContact O-N 2.93Å; M244-G246 PolarHBondContact O-N 3.1Å; M244-F247 WeakPolarHBondContact CE-O 3.31Å; M244-P249 HydrophobicContact CE-CG 3.85Å; M244-V252 HydrophobicContact CE-CG2 4.39Å; M244-V252 HydrophobicContact SD-CG2 3.94Å; M244-Y291 HydrophobicContact CG-CD1 4.43Å; M244-Y291 HydrophobicContact CG-CE1 4.35Å; M244-Y291 HydrophobicContact SD-CD1 3.93Å; M244-Y291 HydrophobicContact SD-CE1 4.42Å; M244-L402 HydrophobicContact CE-CD1 3.95Å; M244-L402 HydrophobicContact CG-CB 4.18Å; M244-L402 HydrophobicContact CG-CD1 3.97Å; M244-L402 HydrophobicContact CG-CD2 4.11Å; M244-L402 HydrophobicContact CG-CG 4.29Å
245	D	89.6	Confident	90.1	Very high	81 Å²	81	55.9 Å²	55.9	43%	0.433	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	90.6	-176.4	171.3	37.5	0	0	0	111.4	R240 E243 F247	R240-D245 HydrophobicContact CB-CB 4.18Å; R240-D245 HydrophobicContact CG-CB 4.38Å; R240-D245 IonicContact CZ-OD2 3.21Å; R240-D245 IonicContact NE-OD2 3.87Å; R240-D245 PolarHBondContact NE-OD2 3.49Å; R240-D245 PolarHBondContact NH2-O 2.98Å; R240-D245 IonicContact NH2-OD1 2.79Å; R240-D245 IonicContact NH2-OD2 2.81Å; R240-D245 PolarHBondContact NH2-OD2 2.91Å; R240-D245 PolarHBondContact O-N 2.92Å; E243-D245 PolarHBondContact O-N 3.27Å; D245-F247 WeakPolarHBondContact O-CD2 3.44Å
246	G	87.5	Confident	89.9	Confident	68 Å²	68	51.9 Å²	51.9	70%	0.701	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	21.5	179.5	0	0	0	0	0	114.4	M244	M244-G246 PolarHBondContact O-N 3.1Å
247	F	88.2	Confident	89.6	Confident	42 Å²	42	51.2 Å²	51.2	18%	0.184	25%	0.251	C	S	.	.			trans	-127.1	153.1	177.6	-66	-78.6	0	0	0	111	L237 R240 L241 M244 D245 D251	L237-F247 HydrophobicContact CD1-CE1 4.46Å; L237-F247 HydrophobicContact CD1-CE2 4.1Å; L237-F247 HydrophobicContact CD1-CZ 3.62Å; R240-F247 HydrophobicContact CB-CD2 4.27Å; R240-F247 HydrophobicContact CB-CE2 3.8Å; L241-F247 HydrophobicContact CD2-CB 4.29Å; L241-F247 HydrophobicContact CD2-CD1 3.77Å; L241-F247 HydrophobicContact CD2-CD2 3.94Å; L241-F247 HydrophobicContact CD2-CE1 4Å; L241-F247 HydrophobicContact CD2-CE2 4.17Å; L241-F247 HydrophobicContact CD2-CG 3.73Å; L241-F247 HydrophobicContact CD2-CZ 4.2Å; M244-F247 WeakPolarHBondContact CE-O 3.31Å; D245-F247 WeakPolarHBondContact O-CD2 3.44Å; F247-D251 HydrophobicContact CB-CB 4.44Å; F247-D251 HydrophobicContact CD1-CB 3.96Å
248	Q	86.3	Confident	89.3	Confident	94 Å²	94	53.9 Å²	53.9	44%	0.439	26%	0.26	S	S	.	.			trans	-107.8	163	167.9	-62.7	-54.9	-68.1	0	0	110.8	T250 D251 V252	Q248-T250 WeakPolarHBondContact CB-OG1 3.4Å; Q248-T250 PolarHBondContact O-N 3.35Å; Q248-T250 VanDerWaalsContact O-N 3.09Å; Q248-D251 PolarHBondContact N-OD2 2.72Å; Q248-D251 WeakPolarHBondContact O-CB 3.5Å; Q248-D251 PolarHBondContact O-N 3.2Å; Q248-V252 PolarHBondContact O-N 3.05Å
249	P	85.1	Confident	88.9	Confident	13 Å²	13	58.6 Å²	58.6	8%	0.084	29%	0.293	C	S	.	.	H	α-helix	trans	-56.8	-26.5	178.6	-30.3	39.8	0	0	0	114	M244 D251 R253 Y291	M244-P249 HydrophobicContact CE-CG 3.85Å; P249-D251 VanDerWaalsContact C-N 3.3Å; P249-D251 PolarHBondContact O-N 3Å; P249-R253 WeakPolarHBondContact O-CB 3.46Å; P249-R253 PolarHBondContact O-N 3.42Å; P249-Y291 WeakPolarHBondContact CA-O 3.26Å; P249-Y291 WeakPolarHBondContact CB-O 3.35Å
250	T	85.7	Confident	88.7	Confident	42 Å²	42	56.3 Å²	56.3	26%	0.258	29%	0.29	S	S	.	.	H	α-helix	trans	-57	-41.5	169.7	47.9	0	0	0	0	112.8	Q248 Q254 L295	Q248-T250 WeakPolarHBondContact CB-OG1 3.4Å; Q248-T250 PolarHBondContact O-N 3.35Å; Q248-T250 VanDerWaalsContact O-N 3.09Å; T250-Q254 WeakPolarHBondContact O-CB 3.4Å; T250-Q254 VanDerWaalsContact O-CG 3.27Å; T250-Q254 WeakPolarHBondContact O-CG 3.47Å; T250-Q254 PolarHBondContact O-N 2.79Å; T250-L295 HydrophobicContact CG2-CD1 4.27Å; T250-L295 HydrophobicContact CG2-CD2 3.78Å; T250-L295 HydrophobicContact CG2-CG 4Å
251	D	90.2	Very high	88.3	Confident	56 Å²	56	53.1 Å²	53.1	30%	0.299	28%	0.281	S	S	.	.	H	α-helix	trans	-83.3	-37.7	-171	-41.4	-25.4	0	0	0	109.5	F247 Q248 P249 Q254 Q255	F247-D251 HydrophobicContact CB-CB 4.44Å; F247-D251 HydrophobicContact CD1-CB 3.96Å; Q248-D251 PolarHBondContact N-OD2 2.72Å; Q248-D251 WeakPolarHBondContact O-CB 3.5Å; Q248-D251 PolarHBondContact O-N 3.2Å; P249-D251 VanDerWaalsContact C-N 3.3Å; P249-D251 PolarHBondContact O-N 3Å; D251-Q254 PolarHBondContact O-N 2.94Å; D251-Q255 WeakPolarHBondContact O-CB 3.25Å; D251-Q255 PolarHBondContact O-N 3.16Å
252	V	90.3	Very high	88.2	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-56.7	-53.2	167.2	-177.8	0	0	0	0	109.5	L241 M244 Q248 Q254 Q255 L256 F270 L292	L241-V252 HydrophobicContact CB-CG2 4.27Å; L241-V252 HydrophobicContact CD2-CG2 4.01Å; M244-V252 HydrophobicContact CE-CG2 4.39Å; M244-V252 HydrophobicContact SD-CG2 3.94Å; Q248-V252 PolarHBondContact O-N 3.05Å; V252-Q254 PolarHBondContact O-N 3.15Å; V252-Q255 PolarHBondContact O-N 2.81Å; V252-L256 HydrophobicContact CG1-CD1 3.84Å; V252-L256 HydrophobicContact CG1-CG 4.45Å; V252-L256 VanDerWaalsContact O-CG 3.25Å; V252-L256 WeakPolarHBondContact O-CG 3.24Å; V252-L256 PolarHBondContact O-N 2.74Å; V252-F270 HydrophobicContact CG1-CE1 4.2Å; V252-F270 HydrophobicContact CG1-CE2 3.97Å; V252-F270 HydrophobicContact CG1-CZ 3.6Å; V252-L292 HydrophobicContact CG1-CD2 4.09Å
253	R	88.2	Confident	88.2	Confident	10 Å²	10	55.4 Å²	55.4	4%	0.038	29%	0.291	C	S	.	.	H	α-helix	trans	-58.1	-50.8	176.9	-176	176.1	176.5	-179.7	-3	111.9	P249 Q255 L256 R257 L292 N298 E300 D302	P249-R253 WeakPolarHBondContact O-CB 3.46Å; P249-R253 PolarHBondContact O-N 3.42Å; R253-Q255 VanDerWaalsContact C-N 3.29Å; R253-Q255 PolarHBondContact O-N 3.45Å; R253-L256 PolarHBondContact O-N 3.34Å; R253-R257 HydrophobicContact CG-CG 4.45Å; R253-R257 VanDerWaalsContact O-CG 3.31Å; R253-R257 WeakPolarHBondContact O-CG 3.44Å; R253-R257 PolarHBondContact O-N 3.26Å; R253-L292 HydrophobicContact CB-CD2 4.36Å; R253-N298 VanDerWaalsContact CZ-OD1 3.32Å; R253-N298 PolarHBondContact NH1-OD1 3.39Å; R253-N298 PolarHBondContact NH2-OD1 3.14Å; R253-E300 PolarHBondContact NH1-O 3.34Å; R253-E300 PolarHBondContact NH2-O 2.95Å; R253-D302 IonicContact CZ-OD2 3.06Å; R253-D302 IonicContact NE-OD2 2.72Å; R253-D302 PolarHBondContact NE-OD2 3.49Å; R253-D302 IonicContact NH2-OD2 3.16Å; R253-D302 PolarHBondContact NH2-OD2 2.87Å
254	Q	89.4	Confident	88.1	Confident	120 Å²	120	53.1 Å²	53.1	56%	0.561	28%	0.28	S	S	*	.	H	α-helix	trans	-58.3	-39.3	178	-77.1	178.2	37.9	0	0	112.8	T250 D251 V252 R257	T250-Q254 WeakPolarHBondContact O-CB 3.4Å; T250-Q254 VanDerWaalsContact O-CG 3.27Å; T250-Q254 WeakPolarHBondContact O-CG 3.47Å; T250-Q254 PolarHBondContact O-N 2.79Å; D251-Q254 PolarHBondContact O-N 2.94Å; V252-Q254 PolarHBondContact O-N 3.15Å; Q254-R257 PolarHBondContact O-N 3.39Å
255	Q	90.9	Very high	88.2	Confident	22 Å²	22	53.1 Å²	53.1	10%	0.103	28%	0.28	C	S	.	.	H	α-helix	trans	-71	-33.1	179.6	-177.8	50.7	42	0	0	112.6	L241 D251 V252 R253 S263 V266	L241-Q255 HydrophobicContact CD1-CB 4.38Å; L241-Q255 HydrophobicContact CD1-CG 3.83Å; D251-Q255 WeakPolarHBondContact O-CB 3.25Å; D251-Q255 PolarHBondContact O-N 3.16Å; V252-Q255 PolarHBondContact O-N 2.81Å; R253-Q255 VanDerWaalsContact C-N 3.29Å; R253-Q255 PolarHBondContact O-N 3.45Å; Q255-S263 VanDerWaalsContact NE2-CB 3.32Å; Q255-S263 PolarHBondContact NE2-OG 2.92Å; Q255-V266 HydrophobicContact CG-CG1 4.18Å
256	L	89.5	Confident	88.4	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-80.1	-16	176	-61	171.6	0	0	0	113.6	V252 R253 A267 F270 L292 F304 P305	V252-L256 HydrophobicContact CG1-CD1 3.84Å; V252-L256 HydrophobicContact CG1-CG 4.45Å; V252-L256 VanDerWaalsContact O-CG 3.25Å; V252-L256 WeakPolarHBondContact O-CG 3.24Å; V252-L256 PolarHBondContact O-N 2.74Å; R253-L256 PolarHBondContact O-N 3.34Å; L256-A267 VanDerWaalsContact CD2-CA 3.48Å; L256-A267 HydrophobicContact CD2-CB 3.41Å; L256-A267 VanDerWaalsContact CD2-CB 3.41Å; L256-F270 HydrophobicContact CD1-CD1 3.91Å; L256-F270 HydrophobicContact CD1-CE1 3.65Å; L256-F270 HydrophobicContact CD1-CZ 4.4Å; L256-F270 HydrophobicContact CD2-CB 4.43Å; L256-F270 HydrophobicContact CD2-CD1 3.86Å; L256-F270 HydrophobicContact CD2-CE1 4.45Å; L256-F270 HydrophobicContact CD2-CG 4.32Å; L256-F270 HydrophobicContact CG-CD1 4.5Å; L256-L292 HydrophobicContact CD1-CD2 3.67Å; L256-F304 WeakPolarHBondContact O-CD1 3.28Å; L256-P305 HydrophobicContact CB-CG 3.98Å
257	R	86.7	Confident	88.6	Confident	139 Å²	139	46 Å²	46	53%	0.525	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-17.4	175.1	-72.8	178.5	95.5	-172.8	19.8	114.3	R253 Q254 D302	R253-R257 HydrophobicContact CG-CG 4.45Å; R253-R257 VanDerWaalsContact O-CG 3.31Å; R253-R257 WeakPolarHBondContact O-CG 3.44Å; R253-R257 PolarHBondContact O-N 3.26Å; Q254-R257 PolarHBondContact O-N 3.39Å; R257-D302 WeakPolarHBondContact CD-OD2 3.48Å; R257-D302 HydrophobicContact CG-CB 4.16Å; R257-D302 IonicContact CZ-OD1 2.66Å; R257-D302 IonicContact CZ-OD2 3.15Å; R257-D302 IonicContact NE-OD1 3.93Å; R257-D302 PolarHBondContact NE-OD1 2.65Å; R257-D302 IonicContact NE-OD2 2.7Å; R257-D302 PolarHBondContact NE-OD2 3.11Å; R257-D302 VanDerWaalsContact NE-OD2 3.13Å; R257-D302 IonicContact NH2-OD1 3.1Å; R257-D302 PolarHBondContact NH2-OD1 3.41Å; R257-D302 IonicContact NH2-OD2 2.77Å
258	K	88.6	Confident	88.6	Confident	94 Å²	94	44.5 Å²	44.5	41%	0.409	22%	0.22	S	C	.	.			trans	-73.9	137	-173.7	-69.4	168.5	-170.2	174.4	0	111.7	S263	K258-S263 VanDerWaalsContact CB-CB 3.5Å; K258-S263 WeakPolarHBondContact CB-OG 3.44Å; K258-S263 WeakPolarHBondContact CD-OG 3.32Å
259	S	83.8	Confident	88.8	Confident	99 Å²	99	41 Å²	41	69%	0.692	20%	0.203	S	C	*	.			trans	-87.4	-5.4	-175.5	53	0	0	0	0	115	K264	S259-K264 WeakPolarHBondContact O-CE 3.31Å; S259-K264 PolarHBondContact O-NZ 3.08Å
260	D	88.2	Confident	89.1	Confident	69 Å²	69	40.4 Å²	40.4	37%	0.369	20%	0.2	S	C	.	.	S	Bend	trans	-72.4	150.6	-178.6	74.1	-92.1	0	0	0	113.1	F262 S263 K264	D260-F262 PolarHBondContact O-N 2.87Å; D260-F262 WeakPolarHBondContact OD2-CB 3.4Å; D260-F262 PolarHBondContact OD2-N 2.81Å; D260-F262 VanDerWaalsContact OD2-N 3.12Å; D260-S263 VanDerWaalsContact CG-OG 3.24Å; D260-S263 PolarHBondContact O-N 3.49Å; D260-S263 VanDerWaalsContact O-N 3.1Å; D260-S263 WeakPolarHBondContact OD1-CB 3.36Å; D260-S263 PolarHBondContact OD1-OG 2.92Å; D260-S263 PolarHBondContact OD2-N 3.06Å; D260-S263 PolarHBondContact OD2-OG 3.47Å; D260-K264 PolarHBondContact O-N 3.49Å
261	D	85.5	Confident	89.4	Confident	33 Å²	33	38.8 Å²	38.8	18%	0.176	19%	0.19	C	C	.	.	H	α-helix	trans	-54.9	-36.1	-176.1	-70	10.3	0	0	0	113.6	L221 N222 L265	L221-D261 HydrophobicContact CD2-CB 4.01Å; N222-D261 VanDerWaalsContact CB-OD2 3.3Å; N222-D261 WeakPolarHBondContact CB-OD2 3.29Å; N222-D261 PolarHBondContact N-OD2 3.41Å; N222-D261 PolarHBondContact ND2-OD2 3.45Å; D261-L265 VanDerWaalsContact O-CB 3.29Å; D261-L265 WeakPolarHBondContact O-CB 3.35Å; D261-L265 PolarHBondContact O-N 3.39Å
262	F	90.2	Very high	89.3	Confident	61 Å²	61	40.3 Å²	40.3	27%	0.268	19%	0.193	S	C	.	.	H	α-helix	trans	-74.3	-41.4	179.1	179.9	-101.6	0	0	0	111.1	V225 A233 A234 L237 D260 L265 V266	V225-F262 HydrophobicContact CG1-CB 4.17Å; V225-F262 HydrophobicContact CG1-CD2 4.24Å; A233-F262 HydrophobicContact CB-CE2 4.06Å; A233-F262 HydrophobicContact CB-CZ 4.21Å; A234-F262 HydrophobicContact CB-CD2 4.45Å; A234-F262 HydrophobicContact CB-CE2 3.88Å; A234-F262 HydrophobicContact CB-CZ 4.39Å; L237-F262 HydrophobicContact CD2-CE1 4.01Å; L237-F262 HydrophobicContact CD2-CZ 4.5Å; D260-F262 PolarHBondContact O-N 2.87Å; D260-F262 WeakPolarHBondContact OD2-CB 3.4Å; D260-F262 PolarHBondContact OD2-N 2.81Å; D260-F262 VanDerWaalsContact OD2-N 3.12Å; F262-L265 PolarHBondContact O-N 3.02Å; F262-V266 HydrophobicContact CD1-CG2 4.04Å; F262-V266 HydrophobicContact CE1-CG2 3.65Å; F262-V266 HydrophobicContact CE2-CG2 4.3Å; F262-V266 HydrophobicContact CZ-CG2 3.79Å; F262-V266 WeakPolarHBondContact O-CB 3.35Å; F262-V266 WeakPolarHBondContact O-CG2 3.41Å; F262-V266 PolarHBondContact O-N 3.2Å
263	S	91.1	Very high	89.2	Confident	4 Å²	4	42.9 Å²	42.9	3%	0.028	21%	0.206	C	C	.	.	H	α-helix	trans	-65.7	-39.1	174.8	-63.2	0	0	0	0	112.7	Q255 K258 D260 V266 A267	Q255-S263 VanDerWaalsContact NE2-CB 3.32Å; Q255-S263 PolarHBondContact NE2-OG 2.92Å; K258-S263 VanDerWaalsContact CB-CB 3.5Å; K258-S263 WeakPolarHBondContact CB-OG 3.44Å; K258-S263 WeakPolarHBondContact CD-OG 3.32Å; D260-S263 VanDerWaalsContact CG-OG 3.24Å; D260-S263 PolarHBondContact O-N 3.49Å; D260-S263 VanDerWaalsContact O-N 3.1Å; D260-S263 WeakPolarHBondContact OD1-CB 3.36Å; D260-S263 PolarHBondContact OD1-OG 2.92Å; D260-S263 PolarHBondContact OD2-N 3.06Å; D260-S263 PolarHBondContact OD2-OG 3.47Å; S263-V266 PolarHBondContact O-N 2.73Å; S263-A267 WeakPolarHBondContact O-CB 3.28Å; S263-A267 PolarHBondContact O-N 2.79Å
264	K	88.2	Confident	89.2	Confident	47 Å²	47	42.4 Å²	42.4	20%	0.204	20%	0.204	C	C	.	.	H	α-helix	trans	-58.6	-46.4	169.5	-75.4	167.2	170.7	155	0	111.6	S259 D260 V266 A267 N268 F304	S259-K264 WeakPolarHBondContact O-CE 3.31Å; S259-K264 PolarHBondContact O-NZ 3.08Å; D260-K264 PolarHBondContact O-N 3.49Å; K264-V266 PolarHBondContact O-N 3.15Å; K264-A267 PolarHBondContact O-N 3.06Å; K264-N268 WeakPolarHBondContact O-CB 3.36Å; K264-N268 PolarHBondContact O-N 2.89Å; K264-F304 HydrophobicContact CG-CZ 4.11Å
265	L	88.6	Confident	89.2	Confident	20 Å²	20	39.6 Å²	39.6	11%	0.105	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-39.4	177	-173.9	62.2	0	0	0	112.4	L221 I231 A234 D261 F262 E269	L221-L265 HydrophobicContact CD1-CB 4.5Å; L221-L265 HydrophobicContact CD1-CD1 4.33Å; I231-L265 HydrophobicContact CG1-CD2 4.11Å; A234-L265 HydrophobicContact CB-CB 4.3Å; A234-L265 HydrophobicContact CB-CD2 3.93Å; A234-L265 HydrophobicContact CB-CG 3.72Å; D261-L265 VanDerWaalsContact O-CB 3.29Å; D261-L265 WeakPolarHBondContact O-CB 3.35Å; D261-L265 PolarHBondContact O-N 3.39Å; F262-L265 PolarHBondContact O-N 3.02Å; L265-E269 WeakPolarHBondContact O-CG 3.27Å; L265-E269 PolarHBondContact O-N 3.38Å
266	V	93.1	Very high	89.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.7	-44	172.3	169.2	0	0	0	0	110.9	A234 L237 L241 Q255 F262 S263 K264 E269 F270	A234-V266 HydrophobicContact CB-CG2 3.82Å; L237-V266 HydrophobicContact CB-CG1 4.46Å; L237-V266 HydrophobicContact CB-CG2 4.3Å; L237-V266 HydrophobicContact CD2-CG1 4.15Å; L237-V266 HydrophobicContact CD2-CG2 3.92Å; L237-V266 HydrophobicContact CG-CG1 4.06Å; L237-V266 HydrophobicContact CG-CG2 4.37Å; L241-V266 HydrophobicContact CD1-CG1 3.71Å; Q255-V266 HydrophobicContact CG-CG1 4.18Å; F262-V266 HydrophobicContact CD1-CG2 4.04Å; F262-V266 HydrophobicContact CE1-CG2 3.65Å; F262-V266 HydrophobicContact CE2-CG2 4.3Å; F262-V266 HydrophobicContact CZ-CG2 3.79Å; F262-V266 WeakPolarHBondContact O-CB 3.35Å; F262-V266 WeakPolarHBondContact O-CG2 3.41Å; F262-V266 PolarHBondContact O-N 3.2Å; S263-V266 PolarHBondContact O-N 2.73Å; K264-V266 PolarHBondContact O-N 3.15Å; V266-E269 PolarHBondContact O-N 3.23Å; V266-F270 VanDerWaalsContact O-CB 3.27Å; V266-F270 WeakPolarHBondContact O-CB 3.46Å; V266-F270 PolarHBondContact O-N 3.4Å
267	A	91.9	Very high	89.1	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.6	-41.7	179.2	0	0	0	0	0	112	L256 S263 K264 F270 I271 F304 L308	L256-A267 VanDerWaalsContact CD2-CA 3.48Å; L256-A267 HydrophobicContact CD2-CB 3.41Å; L256-A267 VanDerWaalsContact CD2-CB 3.41Å; S263-A267 WeakPolarHBondContact O-CB 3.28Å; S263-A267 PolarHBondContact O-N 2.79Å; K264-A267 PolarHBondContact O-N 3.06Å; A267-F270 PolarHBondContact O-N 3.22Å; A267-I271 PolarHBondContact O-N 3.33Å; A267-F304 HydrophobicContact CB-CE1 3.96Å; A267-F304 HydrophobicContact CB-CZ 4.41Å; A267-L308 HydrophobicContact CB-CD1 3.55Å
268	N	88.5	Confident	89.2	Confident	10 Å²	10	33.2 Å²	33.2	5%	0.053	17%	0.172	C	C	.	.	H	α-helix	trans	-62.9	-40.1	172.9	-97.9	-46.2	0	0	0	113	K264 K272 E634	K264-N268 WeakPolarHBondContact O-CB 3.36Å; K264-N268 PolarHBondContact O-N 2.89Å; N268-K272 VanDerWaalsContact O-CD 3.29Å; N268-K272 WeakPolarHBondContact O-CD 3.44Å; N268-K272 VanDerWaalsContact O-CE 3.26Å; N268-K272 WeakPolarHBondContact O-CE 3.24Å; N268-K272 WeakPolarHBondContact O-CG 3.47Å; N268-K272 PolarHBondContact O-N 2.85Å; N268-E634 VanDerWaalsContact ND2-CD 3.3Å; N268-E634 PolarHBondContact ND2-OE1 3.47Å; N268-E634 PolarHBondContact ND2-OE2 2.65Å
269	E	90.2	Very high	89.4	Confident	19 Å²	19	29.6 Å²	29.6	9%	0.089	16%	0.155	C	C	.	.	H	α-helix	trans	-76.3	-27.8	175.5	-67.9	-61.8	136	0	0	112.9	K235 A238 L265 V266 K272	K235-E269 WeakPolarHBondContact CE-OE2 3.29Å; K235-E269 HydrophobicContact CG-CB 4.25Å; K235-E269 HydrophobicContact CG-CG 3.77Å; K235-E269 VanDerWaalsContact CG-OE2 3.25Å; K235-E269 WeakPolarHBondContact CG-OE2 3.46Å; A238-E269 HydrophobicContact CB-CB 3.7Å; L265-E269 WeakPolarHBondContact O-CG 3.27Å; L265-E269 PolarHBondContact O-N 3.38Å; V266-E269 PolarHBondContact O-N 3.23Å; E269-K272 IonicContact OE1-NZ 2.82Å; E269-K272 PolarHBondContact OE1-NZ 3.05Å
270	F	92.8	Very high	89.8	Confident	1 Å²	1	26.1 Å²	26.1	0%	0.004	13%	0.127	C	C	.	.	H	α-helix	trans	-67.8	-49.9	174.4	172.2	-100.7	0	0	0	110.8	A238 L241 Y242 V252 L256 V266 A267 K272 M273 F274 F288 Y291	A238-F270 HydrophobicContact CB-CB 4.06Å; L241-F270 HydrophobicContact CB-CD2 3.91Å; L241-F270 HydrophobicContact CB-CE2 4.04Å; Y242-F270 HydrophobicContact CD2-CD2 4.35Å; Y242-F270 HydrophobicContact CD2-CE2 4.1Å; V252-F270 HydrophobicContact CG1-CE1 4.2Å; V252-F270 HydrophobicContact CG1-CE2 3.97Å; V252-F270 HydrophobicContact CG1-CZ 3.6Å; L256-F270 HydrophobicContact CD1-CD1 3.91Å; L256-F270 HydrophobicContact CD1-CE1 3.65Å; L256-F270 HydrophobicContact CD1-CZ 4.4Å; L256-F270 HydrophobicContact CD2-CB 4.43Å; L256-F270 HydrophobicContact CD2-CD1 3.86Å; L256-F270 HydrophobicContact CD2-CE1 4.45Å; L256-F270 HydrophobicContact CD2-CG 4.32Å; L256-F270 HydrophobicContact CG-CD1 4.5Å; V266-F270 VanDerWaalsContact O-CB 3.27Å; V266-F270 WeakPolarHBondContact O-CB 3.46Å; V266-F270 PolarHBondContact O-N 3.4Å; A267-F270 PolarHBondContact O-N 3.22Å; F270-K272 PolarHBondContact O-N 3.24Å; F270-M273 WeakPolarHBondContact O-CB 3.39Å; F270-M273 PolarHBondContact O-N 3.46Å; F270-F274 HydrophobicContact CD1-CE2 4.02Å; F270-F274 AromaticContact CE1-CE2 3.52Å; F270-F274 HydrophobicContact CE1-CE2 3.52Å; F270-F274 HydrophobicContact CE1-CZ 4.03Å; F270-F274 HydrophobicContact CE2-CE2 4.26Å; F270-F274 AromaticContact CZ-CE2 3.66Å; F270-F274 HydrophobicContact CZ-CE2 3.66Å; F270-F274 AromaticContact CZ-CZ 3.87Å; F270-F274 HydrophobicContact CZ-CZ 3.87Å; F270-F288 HydrophobicContact CE1-CE2 4.24Å; F270-Y291 HydrophobicContact CZ-CD1 4.44Å; F270-Y291 HydrophobicContact CZ-CG 4.41Å
271	I	91.8	Very high	90.2	Very high	9 Å²	9	22.9 Å²	22.9	5%	0.046	11%	0.11	C	C	.	.	H	α-helix	trans	-67	-25.5	-178.4	-157.4	68.7	0	0	0	112.7	A267 M273 F274 F276 F288 L308 R312	A267-I271 PolarHBondContact O-N 3.33Å; I271-M273 PolarHBondContact O-N 3.48Å; I271-F274 HydrophobicContact CD1-CD2 3.96Å; I271-F274 HydrophobicContact CD1-CE2 4.35Å; I271-F274 PolarHBondContact O-N 3.43Å; I271-F276 HydrophobicContact CD1-CE2 4.49Å; I271-F288 HydrophobicContact CD1-CD2 3.79Å; I271-F288 HydrophobicContact CD1-CE2 3.46Å; I271-F288 VanDerWaalsContact CD1-CE2 3.46Å; I271-F288 HydrophobicContact CD1-CZ 4.24Å; I271-L308 HydrophobicContact CB-CB 4.36Å; I271-L308 HydrophobicContact CG1-CB 4.19Å; I271-L308 WeakPolarHBondContact CG1-O 3.38Å; I271-L308 HydrophobicContact CG2-CB 4.34Å; I271-L308 HydrophobicContact CG2-CD2 4.44Å; I271-R312 HydrophobicContact CD1-CB 4.39Å; I271-R312 HydrophobicContact CG1-CB 3.56Å; I271-R312 HydrophobicContact CG1-CG 3.95Å; I271-R312 WeakPolarHBondContact O-CG 3.17Å; I271-R312 PolarHBondContact O-NE 2.99Å
272	K	88	Confident	90.6	Very high	87 Å²	87	21.3 Å²	21.3	38%	0.378	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.1	172.5	-74.6	168	-157.1	177.7	0	114	N268 E269 F270 R312	N268-K272 VanDerWaalsContact O-CD 3.29Å; N268-K272 WeakPolarHBondContact O-CD 3.44Å; N268-K272 VanDerWaalsContact O-CE 3.26Å; N268-K272 WeakPolarHBondContact O-CE 3.24Å; N268-K272 WeakPolarHBondContact O-CG 3.47Å; N268-K272 PolarHBondContact O-N 2.85Å; E269-K272 IonicContact OE1-NZ 2.82Å; E269-K272 PolarHBondContact OE1-NZ 3.05Å; F270-K272 PolarHBondContact O-N 3.24Å; K272-R312 PolarHBondContact O-NH2 3.34Å
273	M	87.3	Confident	90.7	Very high	54 Å²	54	18.9 Å²	18.9	27%	0.266	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-32.7	177	-57.8	-61.6	166.5	0	0	112.5	Y242 F270 I271	Y242-M273 HydrophobicContact CD1-CB 3.99Å; Y242-M273 HydrophobicContact CD2-CB 3.5Å; Y242-M273 VanDerWaalsContact CD2-CB 3.5Å; Y242-M273 HydrophobicContact CD2-CG 4.27Å; Y242-M273 HydrophobicContact CE1-CB 4.07Å; Y242-M273 HydrophobicContact CE2-CB 3.57Å; Y242-M273 HydrophobicContact CG-CB 3.7Å; Y242-M273 HydrophobicContact CG-CG 4.14Å; F270-M273 WeakPolarHBondContact O-CB 3.39Å; F270-M273 PolarHBondContact O-N 3.46Å; I271-M273 PolarHBondContact O-N 3.48Å
274	F	89.7	Confident	90.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.091	C	C	.	.			trans	-66.8	136.6	177.4	-68.8	-95.9	0	0	0	111.2	Y242 F270 I271 F276 L287 F288 Y291 R312	Y242-F274 HydrophobicContact CD2-CD2 4.05Å; Y242-F274 AromaticContact CD2-CE2 3.66Å; Y242-F274 HydrophobicContact CD2-CE2 3.66Å; Y242-F274 HydrophobicContact CD2-CZ 4.02Å; Y242-F274 AromaticContact CE2-CD1 3.98Å; Y242-F274 HydrophobicContact CE2-CD1 3.98Å; Y242-F274 AromaticContact CE2-CD2 3.54Å; Y242-F274 HydrophobicContact CE2-CD2 3.54Å; Y242-F274 AromaticContact CE2-CE1 3.94Å; Y242-F274 HydrophobicContact CE2-CE1 3.94Å; Y242-F274 AromaticContact CE2-CE2 3.49Å; Y242-F274 HydrophobicContact CE2-CE2 3.49Å; Y242-F274 VanDerWaalsContact CE2-CE2 3.49Å; Y242-F274 AromaticContact CE2-CG 3.79Å; Y242-F274 HydrophobicContact CE2-CG 3.79Å; Y242-F274 AromaticContact CE2-CZ 3.7Å; Y242-F274 HydrophobicContact CE2-CZ 3.7Å; F270-F274 HydrophobicContact CD1-CE2 4.02Å; F270-F274 AromaticContact CE1-CE2 3.52Å; F270-F274 HydrophobicContact CE1-CE2 3.52Å; F270-F274 HydrophobicContact CE1-CZ 4.03Å; F270-F274 HydrophobicContact CE2-CE2 4.26Å; F270-F274 AromaticContact CZ-CE2 3.66Å; F270-F274 HydrophobicContact CZ-CE2 3.66Å; F270-F274 AromaticContact CZ-CZ 3.87Å; F270-F274 HydrophobicContact CZ-CZ 3.87Å; I271-F274 HydrophobicContact CD1-CD2 3.96Å; I271-F274 HydrophobicContact CD1-CE2 4.35Å; I271-F274 PolarHBondContact O-N 3.43Å; F274-F276 HydrophobicContact CB-CD1 4.43Å; F274-F276 HydrophobicContact CB-CD2 4.42Å; F274-F276 HydrophobicContact CB-CE1 3.82Å; F274-F276 HydrophobicContact CB-CE2 3.8Å; F274-F276 HydrophobicContact CB-CZ 3.45Å; F274-F276 VanDerWaalsContact CB-CZ 3.45Å; F274-F276 AromaticContact CD1-CE1 3.62Å; F274-F276 HydrophobicContact CD1-CE1 3.62Å; F274-F276 AromaticContact CD1-CZ 3.55Å; F274-F276 HydrophobicContact CD1-CZ 3.55Å; F274-F276 HydrophobicContact CE1-CZ 4.46Å; F274-F276 HydrophobicContact CG-CE1 4.04Å; F274-F276 HydrophobicContact CG-CE2 4.33Å; F274-F276 AromaticContact CG-CZ 3.61Å; F274-F276 HydrophobicContact CG-CZ 3.61Å; F274-L287 HydrophobicContact CD1-CG 4.45Å; F274-L287 HydrophobicContact CE1-CG 4.47Å; F274-F288 HydrophobicContact CE1-CD2 4.23Å; F274-F288 HydrophobicContact CE2-CD2 4.21Å; F274-F288 AromaticContact CZ-CD2 3.96Å; F274-F288 HydrophobicContact CZ-CD2 3.96Å; F274-Y291 AromaticContact CE1-CD2 3.61Å; F274-Y291 HydrophobicContact CE1-CD2 3.61Å; F274-Y291 AromaticContact CE1-CE2 3.53Å; F274-Y291 HydrophobicContact CE1-CE2 3.53Å; F274-Y291 HydrophobicContact CE1-CG 4.47Å; F274-Y291 AromaticContact CZ-CD2 3.58Å; F274-Y291 HydrophobicContact CZ-CD2 3.58Å; F274-Y291 AromaticContact CZ-CE2 3.8Å; F274-Y291 HydrophobicContact CZ-CE2 3.8Å; F274-Y291 AromaticContact CZ-CG 3.99Å; F274-Y291 HydrophobicContact CZ-CG 3.99Å; F274-R312 PolarHBondContact O-NE 3.42Å; F274-R312 PolarHBondContact O-NH2 3.14Å
275	N	87.7	Confident	91.2	Very high	61 Å²	61	16.4 Å²	16.4	33%	0.326	8%	0.081	S	C	.	.			trans	-117.4	91.4	172.1	-176.4	18.2	0	0	0	110.7	S277	N275-S277 PolarHBondContact O-N 2.82Å; N275-S277 WeakPolarHBondContact OD1-CB 3.22Å; N275-S277 PolarHBondContact OD1-N 2.85Å; N275-S277 PolarHBondContact OD1-OG 3.24Å
276	F	90.9	Very high	91.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.085	C	C	.	.			trans	-81.4	7.2	178.3	-53.7	-52.2	0	0	0	113.6	I271 F274 L278 Y279 A284 L287 F288 F309 R312 Y313 C316 N317	I271-F276 HydrophobicContact CD1-CE2 4.49Å; F274-F276 HydrophobicContact CB-CD1 4.43Å; F274-F276 HydrophobicContact CB-CD2 4.42Å; F274-F276 HydrophobicContact CB-CE1 3.82Å; F274-F276 HydrophobicContact CB-CE2 3.8Å; F274-F276 HydrophobicContact CB-CZ 3.45Å; F274-F276 VanDerWaalsContact CB-CZ 3.45Å; F274-F276 AromaticContact CD1-CE1 3.62Å; F274-F276 HydrophobicContact CD1-CE1 3.62Å; F274-F276 AromaticContact CD1-CZ 3.55Å; F274-F276 HydrophobicContact CD1-CZ 3.55Å; F274-F276 HydrophobicContact CE1-CZ 4.46Å; F274-F276 HydrophobicContact CG-CE1 4.04Å; F274-F276 HydrophobicContact CG-CE2 4.33Å; F274-F276 AromaticContact CG-CZ 3.61Å; F274-F276 HydrophobicContact CG-CZ 3.61Å; F276-L278 PolarHBondContact O-N 2.79Å; F276-Y279 WeakPolarHBondContact O-CB 3.44Å; F276-Y279 PolarHBondContact O-N 3.32Å; F276-A284 HydrophobicContact CB-CB 4.04Å; F276-A284 HydrophobicContact CD1-CB 3.58Å; F276-A284 HydrophobicContact CE1-CB 4.21Å; F276-A284 HydrophobicContact CG-CB 3.89Å; F276-L287 HydrophobicContact CD1-CD2 4.4Å; F276-L287 HydrophobicContact CE1-CD2 4.15Å; F276-F288 HydrophobicContact CE1-CB 4.49Å; F276-F288 HydrophobicContact CZ-CB 4.11Å; F276-F309 HydrophobicContact CD1-CE2 4.36Å; F276-F309 HydrophobicContact CD2-CD2 4.3Å; F276-F309 HydrophobicContact CD2-CE2 4.06Å; F276-F309 HydrophobicContact CE1-CD2 4.33Å; F276-F309 AromaticContact CE1-CE2 3.93Å; F276-F309 HydrophobicContact CE1-CE2 3.93Å; F276-F309 AromaticContact CE2-CD2 3.49Å; F276-F309 HydrophobicContact CE2-CD2 3.49Å; F276-F309 VanDerWaalsContact CE2-CD2 3.49Å; F276-F309 AromaticContact CE2-CE2 3.62Å; F276-F309 HydrophobicContact CE2-CE2 3.62Å; F276-F309 HydrophobicContact CG-CE2 4.42Å; F276-F309 AromaticContact CZ-CD2 3.51Å; F276-F309 HydrophobicContact CZ-CD2 3.51Å; F276-F309 AromaticContact CZ-CE2 3.55Å; F276-F309 HydrophobicContact CZ-CE2 3.55Å; F276-R312 HydrophobicContact CD2-CB 4.3Å; F276-R312 HydrophobicContact CD2-CG 3.76Å; F276-R312 HydrophobicContact CE2-CB 4.11Å; F276-R312 HydrophobicContact CE2-CG 3.73Å; F276-Y313 HydrophobicContact CB-CD2 3.8Å; F276-Y313 HydrophobicContact CB-CE2 4.44Å; F276-Y313 HydrophobicContact CD2-CD2 4.45Å; F276-Y313 HydrophobicContact CG-CD2 4.25Å; F276-C316 HydrophobicContact CB-CB 4.04Å; F276-N317 PolarHBondContact O-ND2 3.34Å
277	S	88.2	Confident	91.2	Very high	21 Å²	21	18.4 Å²	18.4	15%	0.147	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	131	179.9	-58.3	0	0	0	0	111.2	N275 Y279	N275-S277 PolarHBondContact O-N 2.82Å; N275-S277 WeakPolarHBondContact OD1-CB 3.22Å; N275-S277 PolarHBondContact OD1-N 2.85Å; N275-S277 PolarHBondContact OD1-OG 3.24Å; S277-Y279 PolarHBondContact O-N 2.84Å
278	L	89	Confident	91.2	Very high	8 Å²	8	18.5 Å²	18.5	4%	0.042	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	-3.6	-177.1	-43.1	174.8	0	0	0	115.6	F276 N317 P412 Q417 A418 T455 F532 T559	F276-L278 PolarHBondContact O-N 2.79Å; L278-N317 PolarHBondContact N-OD1 3.07Å; L278-P412 HydrophobicContact CB-CG 3.66Å; L278-Q417 CarbonylContact O-C 3.53Å; L278-Q417 WeakPolarHBondContact O-CA 3.49Å; L278-A418 PolarHBondContact O-N 3.14Å; L278-T455 HydrophobicContact CD1-CG2 4.26Å; L278-T455 HydrophobicContact CD2-CG2 3.97Å; L278-F532 HydrophobicContact CD2-CB 4.42Å; L278-F532 HydrophobicContact CD2-CD1 3.88Å; L278-F532 HydrophobicContact CD2-CD2 3.4Å; L278-F532 HydrophobicContact CD2-CE1 3.96Å; L278-F532 HydrophobicContact CD2-CE2 3.49Å; L278-F532 VanDerWaalsContact CD2-CE2 3.49Å; L278-F532 HydrophobicContact CD2-CG 3.62Å; L278-F532 HydrophobicContact CD2-CZ 3.78Å; L278-F532 HydrophobicContact CG-CD1 4.4Å; L278-F532 HydrophobicContact CG-CE1 4.46Å; L278-T559 HydrophobicContact CD1-CG2 3.98Å
279	Y	91.8	Very high	91.3	Very high	18 Å²	18	18.1 Å²	18.1	7%	0.071	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-80.5	142	174.4	-76.7	-99.7	0	0	0	111	F276 S277 A283 Y313 R408 Q410 P412	F276-Y279 WeakPolarHBondContact O-CB 3.44Å; F276-Y279 PolarHBondContact O-N 3.32Å; S277-Y279 PolarHBondContact O-N 2.84Å; Y279-A283 HydrophobicContact CD1-CB 3.99Å; Y279-Y313 WeakPolarHBondContact O-CE2 3.31Å; Y279-Y313 PolarHBondContact O-OH 3.09Å; Y279-Y313 VanDerWaalsContact O-OH 3.07Å; Y279-R408 PolarHBondContact OH-O 3.02Å; Y279-Q410 PolarHBondContact OH-O 3.27Å; Y279-P412 HydrophobicContact CD1-CB 3.87Å; Y279-P412 HydrophobicContact CD2-CB 3.95Å; Y279-P412 HydrophobicContact CD2-CG 3.81Å; Y279-P412 HydrophobicContact CE1-CB 3.67Å; Y279-P412 HydrophobicContact CE2-CB 3.76Å; Y279-P412 HydrophobicContact CE2-CG 3.78Å; Y279-P412 HydrophobicContact CG-CB 3.98Å; Y279-P412 HydrophobicContact CG-CG 4.2Å
280	R	93.6	Very high	91.2	Very high	27 Å²	27	18.5 Å²	18.5	10%	0.102	9%	0.092	C	C	.	.			trans	-73.9	150.4	164	-165.7	178.3	60.4	-113.9	-13.7	109.7	D282 A283 A284 L370 L374 E415 S416	R280-D282 VanDerWaalsContact C-N 3.34Å; R280-D282 WeakPolarHBondContact CB-OD1 3.43Å; R280-D282 WeakPolarHBondContact CD-OD1 3.48Å; R280-D282 VanDerWaalsContact CG-OD1 3.28Å; R280-D282 WeakPolarHBondContact CG-OD1 3.36Å; R280-D282 IonicContact CZ-OD1 3.73Å; R280-D282 IonicContact CZ-OD2 3.6Å; R280-D282 IonicContact NE-OD1 2.69Å; R280-D282 PolarHBondContact NE-OD1 3.31Å; R280-D282 IonicContact NE-OD2 3.64Å; R280-D282 IonicContact NH2-OD1 3.63Å; R280-D282 PolarHBondContact NH2-OD1 3.49Å; R280-D282 IonicContact NH2-OD2 3.28Å; R280-D282 PolarHBondContact NH2-OD2 3.3Å; R280-D282 PolarHBondContact O-N 2.85Å; R280-A283 PolarHBondContact O-N 3.42Å; R280-A284 PolarHBondContact O-N 3.12Å; R280-L370 HydrophobicContact CG-CD1 4.3Å; R280-L374 HydrophobicContact CG-CD2 4.15Å; R280-E415 PolarHBondContact NH1-O 3.11Å; R280-S416 WeakPolarHBondContact CB-O 3.33Å; R280-S416 PolarHBondContact N-O 2.82Å
281	V	95.1	Very high	91	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.5	-38.1	-168.1	66.2	0	0	0	0	114.2	L285 F309 Y313 L330 C331 L334 L374	V281-L285 WeakPolarHBondContact O-CB 3.12Å; V281-L285 PolarHBondContact O-N 2.93Å; V281-F309 HydrophobicContact CG2-CE1 4.41Å; V281-Y313 HydrophobicContact CB-CE1 4.03Å; V281-Y313 HydrophobicContact CB-CE2 4.16Å; V281-Y313 HydrophobicContact CG2-CD1 4.42Å; V281-Y313 HydrophobicContact CG2-CE1 4.18Å; V281-Y313 HydrophobicContact CG2-CE2 4.5Å; V281-Y313 PolarHBondContact N-OH 3.1Å; V281-Y313 VanDerWaalsContact N-OH 3.08Å; V281-L330 HydrophobicContact CG1-CD2 3.9Å; V281-L330 HydrophobicContact CG1-CG 4.44Å; V281-C331 VanDerWaalsContact CG2-SG 3.57Å; V281-L334 HydrophobicContact CG1-CD1 3.94Å; V281-L374 HydrophobicContact CG1-CD1 4.15Å; V281-L374 HydrophobicContact CG1-CD2 3.76Å
282	D	94.8	Very high	90.7	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-64	-40.6	174.2	60	-48.3	0	0	0	112.8	R280 L285 R286 L374 S377 L383	R280-D282 VanDerWaalsContact C-N 3.34Å; R280-D282 WeakPolarHBondContact CB-OD1 3.43Å; R280-D282 WeakPolarHBondContact CD-OD1 3.48Å; R280-D282 VanDerWaalsContact CG-OD1 3.28Å; R280-D282 WeakPolarHBondContact CG-OD1 3.36Å; R280-D282 IonicContact CZ-OD1 3.73Å; R280-D282 IonicContact CZ-OD2 3.6Å; R280-D282 IonicContact NE-OD1 2.69Å; R280-D282 PolarHBondContact NE-OD1 3.31Å; R280-D282 IonicContact NE-OD2 3.64Å; R280-D282 IonicContact NH2-OD1 3.63Å; R280-D282 PolarHBondContact NH2-OD1 3.49Å; R280-D282 IonicContact NH2-OD2 3.28Å; R280-D282 PolarHBondContact NH2-OD2 3.3Å; R280-D282 PolarHBondContact O-N 2.85Å; D282-L285 PolarHBondContact O-N 3.4Å; D282-R286 WeakPolarHBondContact O-CB 3.18Å; D282-R286 WeakPolarHBondContact O-CD 3.3Å; D282-R286 WeakPolarHBondContact O-CG 3.43Å; D282-R286 PolarHBondContact O-N 3.17Å; D282-L374 HydrophobicContact CB-CD2 3.71Å; D282-L374 VanDerWaalsContact OD1-CD2 3.31Å; D282-L374 WeakPolarHBondContact OD1-CD2 3.43Å; D282-S377 WeakPolarHBondContact OD2-CB 3.49Å; D282-S377 PolarHBondContact OD2-OG 3.47Å; D282-L383 HydrophobicContact CB-CD2 4.17Å
283	A	93.2	Very high	90.1	Very high	9 Å²	9	14.8 Å²	14.8	7%	0.074	8%	0.076	C	C	.	.	H	α-helix	trans	-71.7	-40.8	179.2	0	0	0	0	0	111.6	Y279 R280 L287	Y279-A283 HydrophobicContact CD1-CB 3.99Å; R280-A283 PolarHBondContact O-N 3.42Å; A283-L287 PolarHBondContact O-N 3.25Å
284	A	94	Very high	88.8	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.4	-42.1	172	0	0	0	0	0	112	F276 R280 L287 F288 F309 Y313	F276-A284 HydrophobicContact CB-CB 4.04Å; F276-A284 HydrophobicContact CD1-CB 3.58Å; F276-A284 HydrophobicContact CE1-CB 4.21Å; F276-A284 HydrophobicContact CG-CB 3.89Å; R280-A284 PolarHBondContact O-N 3.12Å; A284-L287 WeakPolarHBondContact O-CB 3.5Å; A284-L287 PolarHBondContact O-N 3.01Å; A284-F288 PolarHBondContact O-N 3.04Å; A284-F309 HydrophobicContact CB-CE2 3.89Å; A284-F309 HydrophobicContact CB-CZ 3.82Å; A284-F309 WeakPolarHBondContact O-CE2 3.34Å; A284-Y313 HydrophobicContact CB-CD2 3.54Å; A284-Y313 HydrophobicContact CB-CE2 3.64Å
285	L	94.5	Very high	87.5	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-67	-47.1	179.8	-176.2	57.6	0	0	0	110.8	V281 D282 L287 F288 L289 L306 F309 C331 L335 L383	V281-L285 WeakPolarHBondContact O-CB 3.12Å; V281-L285 PolarHBondContact O-N 2.93Å; D282-L285 PolarHBondContact O-N 3.4Å; L285-L287 VanDerWaalsContact C-N 3.29Å; L285-L287 PolarHBondContact O-N 3.06Å; L285-F288 PolarHBondContact O-N 3.16Å; L285-F288 VanDerWaalsContact O-N 3.12Å; L285-L289 HydrophobicContact CD1-CD1 4.17Å; L285-L289 HydrophobicContact CD1-CD2 3.94Å; L285-L289 HydrophobicContact CD1-CG 3.87Å; L285-L289 HydrophobicContact CG-CD1 4.08Å; L285-L289 HydrophobicContact CG-CG 4.16Å; L285-L289 WeakPolarHBondContact O-CB 3.42Å; L285-L289 VanDerWaalsContact O-CG 3.28Å; L285-L289 WeakPolarHBondContact O-CG 3.5Å; L285-L289 PolarHBondContact O-N 3.31Å; L285-L306 HydrophobicContact CD1-CD1 4.12Å; L285-F309 HydrophobicContact CB-CE1 4.11Å; L285-F309 HydrophobicContact CB-CE2 4.48Å; L285-F309 HydrophobicContact CB-CZ 3.82Å; L285-F309 HydrophobicContact CD1-CD1 4.02Å; L285-F309 HydrophobicContact CD1-CE1 3.9Å; L285-F309 HydrophobicContact CD1-CG 4.47Å; L285-F309 HydrophobicContact CD1-CZ 4.24Å; L285-C331 HydrophobicContact CD2-CB 4.39Å; L285-L335 HydrophobicContact CD2-CD2 4.38Å; L285-L335 HydrophobicContact CD2-CG 4.37Å; L285-L383 HydrophobicContact CD2-CD1 3.99Å
286	R	92.1	Very high	86.2	Confident	47 Å²	47	21 Å²	21	18%	0.177	12%	0.12	C	C	.	.	H	α-helix	trans	-49.2	-49.2	171.3	-74.6	162.9	-165.1	-76.1	4.5	112.3	D282 L289 S290 S377 S381 S382 L383	D282-R286 WeakPolarHBondContact O-CB 3.18Å; D282-R286 WeakPolarHBondContact O-CD 3.3Å; D282-R286 WeakPolarHBondContact O-CG 3.43Å; D282-R286 PolarHBondContact O-N 3.17Å; R286-L289 PolarHBondContact O-N 3.39Å; R286-S290 PolarHBondContact O-N 3.12Å; R286-S377 PolarHBondContact NH2-O 3.22Å; R286-S377 PolarHBondContact NH2-OG 2.95Å; R286-S381 VanDerWaalsContact CZ-O 3.25Å; R286-S381 PolarHBondContact NH1-O 3.31Å; R286-S381 PolarHBondContact NH1-OG 3.35Å; R286-S381 PolarHBondContact NH2-O 3.46Å; R286-S382 VanDerWaalsContact NH1-C 3.32Å; R286-S382 PolarHBondContact NH1-O 3.3Å; R286-L383 HydrophobicContact CG-CD2 3.95Å
287	L	90.3	Very high	84.8	Confident	15 Å²	15	24.7 Å²	24.7	8%	0.079	16%	0.158	C	C	.	.	H	α-helix	trans	-60.2	-48.6	178.8	172.7	64.3	0	0	0	110.8	F274 F276 A283 A284 L285 S290 Y291 L405 L409	F274-L287 HydrophobicContact CD1-CG 4.45Å; F274-L287 HydrophobicContact CE1-CG 4.47Å; F276-L287 HydrophobicContact CD1-CD2 4.4Å; F276-L287 HydrophobicContact CE1-CD2 4.15Å; A283-L287 PolarHBondContact O-N 3.25Å; A284-L287 WeakPolarHBondContact O-CB 3.5Å; A284-L287 PolarHBondContact O-N 3.01Å; L285-L287 VanDerWaalsContact C-N 3.29Å; L285-L287 PolarHBondContact O-N 3.06Å; L287-S290 PolarHBondContact O-N 3.08Å; L287-S290 PolarHBondContact O-OG 2.9Å; L287-Y291 HydrophobicContact CD1-CE2 4.22Å; L287-Y291 WeakPolarHBondContact O-CD2 3.29Å; L287-L405 HydrophobicContact CD1-CD2 4.46Å; L287-L409 HydrophobicContact CD1-CD2 4.34Å; L287-L409 HydrophobicContact CD2-CD2 3.8Å
288	F	92.4	Very high	83.9	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.009	17%	0.165	C	C	.	.	H	α-helix	trans	-62.2	-47.7	177.9	178.4	-115	0	0	0	112.7	F270 I271 F274 F276 A284 L285 S290 Y291 L292 P305 F309	F270-F288 HydrophobicContact CE1-CE2 4.24Å; I271-F288 HydrophobicContact CD1-CD2 3.79Å; I271-F288 HydrophobicContact CD1-CE2 3.46Å; I271-F288 VanDerWaalsContact CD1-CE2 3.46Å; I271-F288 HydrophobicContact CD1-CZ 4.24Å; F274-F288 HydrophobicContact CE1-CD2 4.23Å; F274-F288 HydrophobicContact CE2-CD2 4.21Å; F274-F288 AromaticContact CZ-CD2 3.96Å; F274-F288 HydrophobicContact CZ-CD2 3.96Å; F276-F288 HydrophobicContact CE1-CB 4.49Å; F276-F288 HydrophobicContact CZ-CB 4.11Å; A284-F288 PolarHBondContact O-N 3.04Å; L285-F288 PolarHBondContact O-N 3.16Å; L285-F288 VanDerWaalsContact O-N 3.12Å; F288-S290 PolarHBondContact O-N 3.08Å; F288-Y291 PolarHBondContact O-N 3.36Å; F288-Y291 VanDerWaalsContact O-N 3.14Å; F288-L292 HydrophobicContact CD1-CD1 4.31Å; F288-L292 HydrophobicContact CE1-CD1 3.7Å; F288-L292 HydrophobicContact CZ-CD1 3.87Å; F288-P305 WeakPolarHBondContact CE1-O 3.48Å; F288-P305 HydrophobicContact CZ-CB 4.22Å; F288-P305 VanDerWaalsContact CZ-O 3.25Å; F288-P305 WeakPolarHBondContact CZ-O 3.44Å; F288-F309 HydrophobicContact CB-CD2 3.53Å; F288-F309 HydrophobicContact CB-CE2 3.92Å; F288-F309 HydrophobicContact CB-CG 4.4Å; F288-F309 HydrophobicContact CD1-CB 3.61Å; F288-F309 AromaticContact CD1-CD2 3.8Å; F288-F309 HydrophobicContact CD1-CD2 3.8Å; F288-F309 AromaticContact CD1-CG 3.83Å; F288-F309 HydrophobicContact CD1-CG 3.83Å; F288-F309 HydrophobicContact CD2-CB 4.48Å; F288-F309 HydrophobicContact CD2-CD2 4.33Å; F288-F309 HydrophobicContact CE1-CB 3.6Å; F288-F309 HydrophobicContact CE1-CG 4.33Å; F288-F309 HydrophobicContact CE2-CB 4.48Å; F288-F309 HydrophobicContact CG-CB 4.07Å; F288-F309 AromaticContact CG-CD2 3.63Å; F288-F309 HydrophobicContact CG-CD2 3.63Å; F288-F309 HydrophobicContact CG-CE2 4.49Å; F288-F309 HydrophobicContact CG-CG 4.12Å; F288-F309 HydrophobicContact CZ-CB 4.06Å
289	L	90.9	Very high	82.9	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-63.9	-26.9	-179.3	-62.7	-171.4	0	0	0	113	L285 R286 Y291 L292 F293 V301 L335 L383 R384	L285-L289 HydrophobicContact CD1-CD1 4.17Å; L285-L289 HydrophobicContact CD1-CD2 3.94Å; L285-L289 HydrophobicContact CD1-CG 3.87Å; L285-L289 HydrophobicContact CG-CD1 4.08Å; L285-L289 HydrophobicContact CG-CG 4.16Å; L285-L289 WeakPolarHBondContact O-CB 3.42Å; L285-L289 VanDerWaalsContact O-CG 3.28Å; L285-L289 WeakPolarHBondContact O-CG 3.5Å; L285-L289 PolarHBondContact O-N 3.31Å; R286-L289 PolarHBondContact O-N 3.39Å; L289-Y291 PolarHBondContact O-N 3.09Å; L289-L292 HydrophobicContact CD2-CD1 4.4Å; L289-L292 PolarHBondContact O-N 3.4Å; L289-F293 HydrophobicContact CB-CD2 4.12Å; L289-F293 HydrophobicContact CB-CE2 4.44Å; L289-F293 HydrophobicContact CD2-CE2 4.14Å; L289-F293 PolarHBondContact O-N 2.89Å; L289-V301 HydrophobicContact CD2-CG1 4.25Å; L289-V301 HydrophobicContact CD2-CG2 4.22Å; L289-L335 HydrophobicContact CD1-CD2 3.79Å; L289-L383 HydrophobicContact CD1-CB 4.15Å; L289-R384 HydrophobicContact CD1-CG 4.06Å
290	S	87.5	Confident	82.1	Confident	28 Å²	28	35.1 Å²	35.1	20%	0.196	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-13	175.3	71.7	0	0	0	0	115	R286 L287 F288	R286-S290 PolarHBondContact O-N 3.12Å; L287-S290 PolarHBondContact O-N 3.08Å; L287-S290 PolarHBondContact O-OG 2.9Å; F288-S290 PolarHBondContact O-N 3.08Å
291	Y	87.8	Confident	81.3	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-6.9	170.1	-68.5	-97.2	0	0	0	113.3	Y242 M244 P249 F270 F274 L287 F288 L289 L402 N406	Y242-Y291 WeakPolarHBondContact O-CE1 3.24Å; M244-Y291 HydrophobicContact CG-CD1 4.43Å; M244-Y291 HydrophobicContact CG-CE1 4.35Å; M244-Y291 HydrophobicContact SD-CD1 3.93Å; M244-Y291 HydrophobicContact SD-CE1 4.42Å; P249-Y291 WeakPolarHBondContact CA-O 3.26Å; P249-Y291 WeakPolarHBondContact CB-O 3.35Å; F270-Y291 HydrophobicContact CZ-CD1 4.44Å; F270-Y291 HydrophobicContact CZ-CG 4.41Å; F274-Y291 AromaticContact CE1-CD2 3.61Å; F274-Y291 HydrophobicContact CE1-CD2 3.61Å; F274-Y291 AromaticContact CE1-CE2 3.53Å; F274-Y291 HydrophobicContact CE1-CE2 3.53Å; F274-Y291 HydrophobicContact CE1-CG 4.47Å; F274-Y291 AromaticContact CZ-CD2 3.58Å; F274-Y291 HydrophobicContact CZ-CD2 3.58Å; F274-Y291 AromaticContact CZ-CE2 3.8Å; F274-Y291 HydrophobicContact CZ-CE2 3.8Å; F274-Y291 AromaticContact CZ-CG 3.99Å; F274-Y291 HydrophobicContact CZ-CG 3.99Å; L287-Y291 HydrophobicContact CD1-CE2 4.22Å; L287-Y291 WeakPolarHBondContact O-CD2 3.29Å; F288-Y291 PolarHBondContact O-N 3.36Å; F288-Y291 VanDerWaalsContact O-N 3.14Å; L289-Y291 PolarHBondContact O-N 3.09Å; Y291-L402 HydrophobicContact CD1-CD2 4.17Å; Y291-L402 HydrophobicContact CE1-CD2 3.97Å; Y291-N406 PolarHBondContact OH-OD1 3.46Å
292	L	85.2	Confident	80.8	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.021	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-24.4	-174.5	-53	-176.7	0	0	0	113.9	V252 R253 L256 F288 L289 P305	V252-L292 HydrophobicContact CG1-CD2 4.09Å; R253-L292 HydrophobicContact CB-CD2 4.36Å; L256-L292 HydrophobicContact CD1-CD2 3.67Å; F288-L292 HydrophobicContact CD1-CD1 4.31Å; F288-L292 HydrophobicContact CE1-CD1 3.7Å; F288-L292 HydrophobicContact CZ-CD1 3.87Å; L289-L292 HydrophobicContact CD2-CD1 4.4Å; L289-L292 PolarHBondContact O-N 3.4Å; L292-P305 HydrophobicContact CD1-CB 4.29Å
293	F	76.3	Confident	80.3	Confident	15 Å²	15	40.3 Å²	40.3	7%	0.066	23%	0.226	C	C	.	.			trans	-117.5	140.5	177.7	-61.2	-80.8	0	0	0	109.7	L289 N298 E300 V301 R384	L289-F293 HydrophobicContact CB-CD2 4.12Å; L289-F293 HydrophobicContact CB-CE2 4.44Å; L289-F293 HydrophobicContact CD2-CE2 4.14Å; L289-F293 PolarHBondContact O-N 2.89Å; F293-N298 VanDerWaalsContact CE1-O 3.24Å; F293-N298 WeakPolarHBondContact CE1-O 3.22Å; F293-E300 WeakPolarHBondContact CZ-O 3.44Å; F293-V301 HydrophobicContact CE2-CG2 4.01Å; F293-V301 HydrophobicContact CZ-CG2 3.94Å; F293-R384 HydrophobicContact CD2-CG 4.4Å; F293-R384 HydrophobicContact CE2-CG 4.4Å
294	P	60.2	Low	80.1	Confident	77 Å²	77	42 Å²	42	50%	0.5	23%	0.232	S	C	.	.				-134.9	46.5	84.8	41.4	-30.6	0	0	0	112.1	P296	P294-P296 VanDerWaalsContact O-CD 3.24Å; P294-P296 WeakPolarHBondContact O-CD 3.5Å
295	L	62.9	Low	79.9	Confident	57 Å²	57	42.1 Å²	42.1	30%	0.298	23%	0.233	S	C	.	.			trans	-65.7	112.4	179.7	-82.7	164.9	0	0	0	111.2	T250 N298	T250-L295 HydrophobicContact CG2-CD1 4.27Å; T250-L295 HydrophobicContact CG2-CD2 3.78Å; T250-L295 HydrophobicContact CG2-CG 4Å; L295-N298 HydrophobicContact CB-CB 4.34Å
296	P	59.4	Low	79.7	Confident	111 Å²	111	42.4 Å²	42.4	72%	0.721	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	142.4	173.7	29.3	-34.4	0	0	0	110.2	P294 N298	P294-P296 VanDerWaalsContact O-CD 3.24Å; P294-P296 WeakPolarHBondContact O-CD 3.5Å; P296-N298 PolarHBondContact O-N 3.32Å; P296-N298 VanDerWaalsContact O-N 3.15Å
297	G	62.6	Low	79.7	Confident	78 Å²	78	40.4 Å²	40.4	80%	0.804	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.8	-24.8	177.8	0	0	0	0	0	115.9
298	N	68.6	Low	79.7	Confident	57 Å²	57	39.9 Å²	39.9	31%	0.305	23%	0.225	S	C	.	.			trans	-97.3	100.1	175.2	-165.2	-67.4	0	0	0	111	R253 F293 L295 P296 E300	R253-N298 VanDerWaalsContact CZ-OD1 3.32Å; R253-N298 PolarHBondContact NH1-OD1 3.39Å; R253-N298 PolarHBondContact NH2-OD1 3.14Å; F293-N298 VanDerWaalsContact CE1-O 3.24Å; F293-N298 WeakPolarHBondContact CE1-O 3.22Å; L295-N298 HydrophobicContact CB-CB 4.34Å; P296-N298 PolarHBondContact O-N 3.32Å; P296-N298 VanDerWaalsContact O-N 3.15Å; N298-E300 PolarHBondContact OD1-O 3.2Å
299	W	67.7	Low	79.8	Confident	112 Å²	112	39.8 Å²	39.8	42%	0.424	22%	0.224	S	C	.	.			trans	-92.3	-17.7	-178.7	58	-88.6	0	0	0	113.5	Y339 R384	W299-Y339 HydrophobicContact CB-CD2 4.15Å; W299-Y339 HydrophobicContact CB-CE2 4.34Å; W299-Y339 AromaticContact CD2-CD2 3.74Å; W299-Y339 HydrophobicContact CD2-CD2 3.74Å; W299-Y339 AromaticContact CD2-CE2 3.64Å; W299-Y339 HydrophobicContact CD2-CE2 3.64Å; W299-Y339 AromaticContact CE2-CE2 3.96Å; W299-Y339 AromaticContact CE3-CD2 3.72Å; W299-Y339 HydrophobicContact CE3-CD2 3.72Å; W299-Y339 HydrophobicContact CE3-CE2 4.03Å; W299-Y339 HydrophobicContact CE3-CG 4.37Å; W299-Y339 AromaticContact CG-CD2 3.92Å; W299-Y339 HydrophobicContact CG-CD2 3.92Å; W299-Y339 AromaticContact CG-CE2 3.76Å; W299-Y339 HydrophobicContact CG-CE2 3.76Å; W299-Y339 HydrophobicContact CZ3-CD2 4.43Å; W299-R384 VanDerWaalsContact O-CZ 3.26Å; W299-R384 PolarHBondContact O-NE 2.84Å; W299-R384 PolarHBondContact O-NH2 3Å
300	E	74.7	Confident	79.9	Confident	96 Å²	96	39.8 Å²	39.8	45%	0.449	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-66.3	134.9	-175.6	-62.8	177.6	158.6	0	0	111.7	R253 F293 N298	R253-E300 PolarHBondContact NH1-O 3.34Å; R253-E300 PolarHBondContact NH2-O 2.95Å; F293-E300 WeakPolarHBondContact CZ-O 3.44Å; N298-E300 PolarHBondContact OD1-O 3.2Å
301	V	78.2	Confident	80.1	Confident	26 Å²	26	39.3 Å²	39.3	16%	0.158	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-100.3	120.9	168.3	-174.7	0	0	0	0	107.8	L289 F293 R303 L306 L335	L289-V301 HydrophobicContact CD2-CG1 4.25Å; L289-V301 HydrophobicContact CD2-CG2 4.22Å; F293-V301 HydrophobicContact CE2-CG2 4.01Å; F293-V301 HydrophobicContact CZ-CG2 3.94Å; V301-R303 PolarHBondContact O-N 2.81Å; V301-L306 HydrophobicContact CG1-CB 4.01Å; V301-L306 HydrophobicContact CG1-CD1 4.48Å; V301-L335 HydrophobicContact CB-CD1 4.06Å; V301-L335 HydrophobicContact CG1-CD1 4.46Å; V301-L335 HydrophobicContact CG2-CD1 3.85Å; V301-L335 HydrophobicContact CG2-CD2 3.72Å; V301-L335 HydrophobicContact CG2-CG 4.41Å
302	D	84.2	Confident	80.3	Confident	30 Å²	30	41.9 Å²	41.9	16%	0.16	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-61.7	136.2	177.8	-68.4	-81.1	0	0	0	111.6	R253 R257 F304 P305 L306	R253-D302 IonicContact CZ-OD2 3.06Å; R253-D302 IonicContact NE-OD2 2.72Å; R253-D302 PolarHBondContact NE-OD2 3.49Å; R253-D302 IonicContact NH2-OD2 3.16Å; R253-D302 PolarHBondContact NH2-OD2 2.87Å; R257-D302 WeakPolarHBondContact CD-OD2 3.48Å; R257-D302 HydrophobicContact CG-CB 4.16Å; R257-D302 IonicContact CZ-OD1 2.66Å; R257-D302 IonicContact CZ-OD2 3.15Å; R257-D302 IonicContact NE-OD1 3.93Å; R257-D302 PolarHBondContact NE-OD1 2.65Å; R257-D302 IonicContact NE-OD2 2.7Å; R257-D302 PolarHBondContact NE-OD2 3.11Å; R257-D302 VanDerWaalsContact NE-OD2 3.13Å; R257-D302 IonicContact NH2-OD1 3.1Å; R257-D302 PolarHBondContact NH2-OD1 3.41Å; R257-D302 IonicContact NH2-OD2 2.77Å; D302-F304 PolarHBondContact O-N 2.85Å; D302-P305 HydrophobicContact CB-CG 3.98Å; D302-P305 VanDerWaalsContact O-CD 3.32Å; D302-P305 WeakPolarHBondContact O-CD 3.44Å; D302-L306 PolarHBondContact O-N 3.13Å
303	R	84.9	Confident	80.7	Confident	81 Å²	81	41.7 Å²	41.7	31%	0.306	23%	0.227	S	C	.	.	H	α-helix	trans	-53.1	-54.7	-172.9	-179.9	167	-167.3	145.7	14.6	112.8	V301 L306 L307 L641 F644	V301-R303 PolarHBondContact O-N 2.81Å; R303-L306 WeakPolarHBondContact O-CB 3.36Å; R303-L306 PolarHBondContact O-N 3.16Å; R303-L307 HydrophobicContact CG-CD1 3.39Å; R303-L307 VanDerWaalsContact O-CD1 3.29Å; R303-L307 WeakPolarHBondContact O-CD1 3.39Å; R303-L307 WeakPolarHBondContact O-CG 3.25Å; R303-L307 PolarHBondContact O-N 2.91Å; R303-L307 VanDerWaalsContact O-N 3.08Å; R303-L641 PolarHBondContact NE-O 2.64Å; R303-L641 PolarHBondContact NH1-O 3.19Å; R303-L641 VanDerWaalsContact NH1-O 3.15Å; R303-L641 PolarHBondContact NH2-O 3.37Å; R303-F644 PolarHBondContact NH1-O 2.97Å; R303-F644 PolarHBondContact NH2-O 3.04Å
304	F	87.3	Confident	81.4	Confident	45 Å²	45	42.1 Å²	42.1	20%	0.197	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-47.2	-175.2	174.6	-105.5	0	0	0	113.8	L256 K264 A267 D302 L306 L307 L308 L638	L256-F304 WeakPolarHBondContact O-CD1 3.28Å; K264-F304 HydrophobicContact CG-CZ 4.11Å; A267-F304 HydrophobicContact CB-CE1 3.96Å; A267-F304 HydrophobicContact CB-CZ 4.41Å; D302-F304 PolarHBondContact O-N 2.85Å; F304-L306 VanDerWaalsContact C-N 3.35Å; F304-L306 PolarHBondContact O-N 2.75Å; F304-L307 PolarHBondContact O-N 2.68Å; F304-L307 VanDerWaalsContact O-N 3.15Å; F304-L308 HydrophobicContact CD1-CD1 4.17Å; F304-L308 HydrophobicContact CE1-CD1 3.67Å; F304-L308 HydrophobicContact CE1-CG 4.4Å; F304-L308 HydrophobicContact CE2-CD1 4.41Å; F304-L308 HydrophobicContact CE2-CD2 4.35Å; F304-L308 HydrophobicContact CE2-CG 4.31Å; F304-L308 HydrophobicContact CZ-CD1 3.81Å; F304-L308 HydrophobicContact CZ-CD2 4.25Å; F304-L308 HydrophobicContact CZ-CG 4.17Å; F304-L308 PolarHBondContact O-N 2.94Å; F304-L638 HydrophobicContact CD2-CD2 3.95Å; F304-L638 HydrophobicContact CE2-CD2 4.11Å
305	P	90.2	Very high	82.7	Confident	2 Å²	2	41 Å²	41	1%	0.013	21%	0.214	C	C	.	.	H	α-helix	trans	-54.6	-42.2	169.9	-30.5	36.3	0	0	0	114.8	L256 F288 L292 D302 L307 L308 F309	L256-P305 HydrophobicContact CB-CG 3.98Å; F288-P305 WeakPolarHBondContact CE1-O 3.48Å; F288-P305 HydrophobicContact CZ-CB 4.22Å; F288-P305 VanDerWaalsContact CZ-O 3.25Å; F288-P305 WeakPolarHBondContact CZ-O 3.44Å; L292-P305 HydrophobicContact CD1-CB 4.29Å; D302-P305 HydrophobicContact CB-CG 3.98Å; D302-P305 VanDerWaalsContact O-CD 3.32Å; D302-P305 WeakPolarHBondContact O-CD 3.44Å; P305-L307 VanDerWaalsContact C-N 3.26Å; P305-L307 PolarHBondContact O-N 2.79Å; P305-L308 PolarHBondContact O-N 3.11Å; P305-F309 PolarHBondContact O-N 3.13Å; P305-F309 VanDerWaalsContact O-N 3.14Å
306	L	91.4	Very high	83.9	Confident	6 Å²	6	38.5 Å²	38.5	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-63.4	-34.6	177.6	-176.1	57.6	0	0	0	112.1	L285 V301 D302 R303 F304 F309 C310 Y328 C331 L335	L285-L306 HydrophobicContact CD1-CD1 4.12Å; V301-L306 HydrophobicContact CG1-CB 4.01Å; V301-L306 HydrophobicContact CG1-CD1 4.48Å; D302-L306 PolarHBondContact O-N 3.13Å; R303-L306 WeakPolarHBondContact O-CB 3.36Å; R303-L306 PolarHBondContact O-N 3.16Å; F304-L306 VanDerWaalsContact C-N 3.35Å; F304-L306 PolarHBondContact O-N 2.75Å; L306-F309 HydrophobicContact CD1-CD1 4.44Å; L306-F309 WeakPolarHBondContact O-CB 3.43Å; L306-F309 PolarHBondContact O-N 2.94Å; L306-C310 PolarHBondContact O-N 3.17Å; L306-C310 PolarHBondContact O-SG 3.37Å; L306-Y328 HydrophobicContact CD2-CD2 4.23Å; L306-Y328 HydrophobicContact CD2-CE2 3.77Å; L306-Y328 HydrophobicContact CG-CD2 4.18Å; L306-Y328 HydrophobicContact CG-CE2 4.02Å; L306-C331 HydrophobicContact CD1-CB 4.08Å; L306-L335 HydrophobicContact CD1-CD1 3.91Å; L306-L335 HydrophobicContact CD2-CD1 3.54Å; L306-L335 HydrophobicContact CG-CD1 4.39Å
307	L	90.7	Very high	85.3	Confident	5 Å²	5	33.2 Å²	33.2	3%	0.026	17%	0.168	C	C	.	.	H	α-helix	trans	-78.1	-36	-178.2	-75.3	156.3	0	0	0	113	R303 F304 P305 F309 C310 R311 Y328 F637 L641	R303-L307 HydrophobicContact CG-CD1 3.39Å; R303-L307 VanDerWaalsContact O-CD1 3.29Å; R303-L307 WeakPolarHBondContact O-CD1 3.39Å; R303-L307 WeakPolarHBondContact O-CG 3.25Å; R303-L307 PolarHBondContact O-N 2.91Å; R303-L307 VanDerWaalsContact O-N 3.08Å; F304-L307 PolarHBondContact O-N 2.68Å; F304-L307 VanDerWaalsContact O-N 3.15Å; P305-L307 VanDerWaalsContact C-N 3.26Å; P305-L307 PolarHBondContact O-N 2.79Å; L307-F309 VanDerWaalsContact C-N 3.26Å; L307-F309 PolarHBondContact O-N 3.05Å; L307-C310 PolarHBondContact O-N 3.22Å; L307-R311 WeakPolarHBondContact O-CB 3.33Å; L307-R311 PolarHBondContact O-N 3.23Å; L307-Y328 HydrophobicContact CD1-CE2 3.99Å; L307-Y328 HydrophobicContact CD2-CD1 4.2Å; L307-Y328 HydrophobicContact CD2-CD2 3.23Å; L307-Y328 HydrophobicContact CD2-CE1 4.42Å; L307-Y328 HydrophobicContact CD2-CE2 3.49Å; L307-Y328 VanDerWaalsContact CD2-CE2 3.49Å; L307-Y328 HydrophobicContact CD2-CG 3.61Å; L307-Y328 HydrophobicContact CG-CD2 3.72Å; L307-Y328 HydrophobicContact CG-CE2 3.53Å; L307-F637 HydrophobicContact CB-CE1 4.21Å; L307-F637 HydrophobicContact CB-CZ 3.95Å; L307-F637 HydrophobicContact CD2-CZ 4.46Å; L307-L641 HydrophobicContact CB-CD1 4.27Å; L307-L641 HydrophobicContact CD1-CB 4.27Å; L307-L641 HydrophobicContact CD1-CD1 3.63Å; L307-L641 HydrophobicContact CD1-CD2 3.53Å; L307-L641 HydrophobicContact CD1-CG 3.93Å; L307-L641 HydrophobicContact CD2-CD1 4.32Å; L307-L641 HydrophobicContact CD2-CD2 3.39Å; L307-L641 HydrophobicContact CD2-CG 4.42Å; L307-L641 HydrophobicContact CG-CD1 4.28Å; L307-L641 HydrophobicContact CG-CD2 4.04Å
308	L	91.3	Very high	86.3	Confident	5 Å²	5	30 Å²	30	3%	0.026	13%	0.133	C	C	.	.	H	α-helix	trans	-57.3	-42	165.7	-69.6	173.9	0	0	0	111.1	A267 I271 F304 P305 R312	A267-L308 HydrophobicContact CB-CD1 3.55Å; I271-L308 HydrophobicContact CB-CB 4.36Å; I271-L308 HydrophobicContact CG1-CB 4.19Å; I271-L308 WeakPolarHBondContact CG1-O 3.38Å; I271-L308 HydrophobicContact CG2-CB 4.34Å; I271-L308 HydrophobicContact CG2-CD2 4.44Å; F304-L308 HydrophobicContact CD1-CD1 4.17Å; F304-L308 HydrophobicContact CE1-CD1 3.67Å; F304-L308 HydrophobicContact CE1-CG 4.4Å; F304-L308 HydrophobicContact CE2-CD1 4.41Å; F304-L308 HydrophobicContact CE2-CD2 4.35Å; F304-L308 HydrophobicContact CE2-CG 4.31Å; F304-L308 HydrophobicContact CZ-CD1 3.81Å; F304-L308 HydrophobicContact CZ-CD2 4.25Å; F304-L308 HydrophobicContact CZ-CG 4.17Å; F304-L308 PolarHBondContact O-N 2.94Å; P305-L308 PolarHBondContact O-N 3.11Å; L308-R312 WeakPolarHBondContact O-CB 3.44Å; L308-R312 PolarHBondContact O-N 3.1Å
309	F	94.3	Very high	87	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.8	-47.7	173.6	168.9	-92.4	0	0	0	112.4	F276 V281 A284 L285 F288 P305 L306 L307 R312 Y313	F276-F309 HydrophobicContact CD1-CE2 4.36Å; F276-F309 HydrophobicContact CD2-CD2 4.3Å; F276-F309 HydrophobicContact CD2-CE2 4.06Å; F276-F309 HydrophobicContact CE1-CD2 4.33Å; F276-F309 AromaticContact CE1-CE2 3.93Å; F276-F309 HydrophobicContact CE1-CE2 3.93Å; F276-F309 AromaticContact CE2-CD2 3.49Å; F276-F309 HydrophobicContact CE2-CD2 3.49Å; F276-F309 VanDerWaalsContact CE2-CD2 3.49Å; F276-F309 AromaticContact CE2-CE2 3.62Å; F276-F309 HydrophobicContact CE2-CE2 3.62Å; F276-F309 HydrophobicContact CG-CE2 4.42Å; F276-F309 AromaticContact CZ-CD2 3.51Å; F276-F309 HydrophobicContact CZ-CD2 3.51Å; F276-F309 AromaticContact CZ-CE2 3.55Å; F276-F309 HydrophobicContact CZ-CE2 3.55Å; V281-F309 HydrophobicContact CG2-CE1 4.41Å; A284-F309 HydrophobicContact CB-CE2 3.89Å; A284-F309 HydrophobicContact CB-CZ 3.82Å; A284-F309 WeakPolarHBondContact O-CE2 3.34Å; L285-F309 HydrophobicContact CB-CE1 4.11Å; L285-F309 HydrophobicContact CB-CE2 4.48Å; L285-F309 HydrophobicContact CB-CZ 3.82Å; L285-F309 HydrophobicContact CD1-CD1 4.02Å; L285-F309 HydrophobicContact CD1-CE1 3.9Å; L285-F309 HydrophobicContact CD1-CG 4.47Å; L285-F309 HydrophobicContact CD1-CZ 4.24Å; F288-F309 HydrophobicContact CB-CD2 3.53Å; F288-F309 HydrophobicContact CB-CE2 3.92Å; F288-F309 HydrophobicContact CB-CG 4.4Å; F288-F309 HydrophobicContact CD1-CB 3.61Å; F288-F309 AromaticContact CD1-CD2 3.8Å; F288-F309 HydrophobicContact CD1-CD2 3.8Å; F288-F309 AromaticContact CD1-CG 3.83Å; F288-F309 HydrophobicContact CD1-CG 3.83Å; F288-F309 HydrophobicContact CD2-CB 4.48Å; F288-F309 HydrophobicContact CD2-CD2 4.33Å; F288-F309 HydrophobicContact CE1-CB 3.6Å; F288-F309 HydrophobicContact CE1-CG 4.33Å; F288-F309 HydrophobicContact CE2-CB 4.48Å; F288-F309 HydrophobicContact CG-CB 4.07Å; F288-F309 AromaticContact CG-CD2 3.63Å; F288-F309 HydrophobicContact CG-CD2 3.63Å; F288-F309 HydrophobicContact CG-CE2 4.49Å; F288-F309 HydrophobicContact CG-CG 4.12Å; F288-F309 HydrophobicContact CZ-CB 4.06Å; P305-F309 PolarHBondContact O-N 3.13Å; P305-F309 VanDerWaalsContact O-N 3.14Å; L306-F309 HydrophobicContact CD1-CD1 4.44Å; L306-F309 WeakPolarHBondContact O-CB 3.43Å; L306-F309 PolarHBondContact O-N 2.94Å; L307-F309 VanDerWaalsContact C-N 3.26Å; L307-F309 PolarHBondContact O-N 3.05Å; F309-R312 PolarHBondContact O-N 3.5Å; F309-Y313 HydrophobicContact CZ-CD2 4.11Å; F309-Y313 HydrophobicContact CZ-CG 4.28Å; F309-Y313 VanDerWaalsContact O-CB 3.25Å; F309-Y313 WeakPolarHBondContact O-CB 3.42Å; F309-Y313 PolarHBondContact O-N 3.49Å
310	C	93.7	Very high	88	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.007	12%	0.121	C	C	.	.	H	α-helix	trans	-61.7	-48.7	-179.4	-62.7	0	0	0	0	111.6	L306 L307 R312 Y313 H314 V327 Y328	L306-C310 PolarHBondContact O-N 3.17Å; L306-C310 PolarHBondContact O-SG 3.37Å; L307-C310 PolarHBondContact O-N 3.22Å; C310-R312 VanDerWaalsContact C-N 3.33Å; C310-R312 PolarHBondContact O-N 2.93Å; C310-Y313 PolarHBondContact O-N 2.95Å; C310-Y313 VanDerWaalsContact O-N 3.16Å; C310-H314 PolarHBondContact O-N 3.16Å; C310-V327 HydrophobicContact CB-CB 4.23Å; C310-V327 HydrophobicContact CB-CG1 3.86Å; C310-Y328 VanDerWaalsContact SG-CA 3.55Å
311	R	90.7	Very high	88.8	Confident	18 Å²	18	21.8 Å²	21.8	7%	0.068	10%	0.102	C	C	.	.	H	α-helix	trans	-52.6	-47.3	172.3	-179.8	149.1	-174.3	-128.2	2.9	112.1	L307 R315 E324 E631 E634 F637	L307-R311 WeakPolarHBondContact O-CB 3.33Å; L307-R311 PolarHBondContact O-N 3.23Å; R311-R315 VanDerWaalsContact O-CB 3.26Å; R311-R315 WeakPolarHBondContact O-CB 3.33Å; R311-R315 VanDerWaalsContact O-CD 3.29Å; R311-R315 WeakPolarHBondContact O-CD 3.33Å; R311-R315 WeakPolarHBondContact O-CG 3.48Å; R311-R315 PolarHBondContact O-N 2.97Å; R311-R315 VanDerWaalsContact O-N 3.16Å; R311-E324 WeakPolarHBondContact CA-OE2 3.2Å; R311-E324 WeakPolarHBondContact CB-OE2 3.48Å; R311-E324 WeakPolarHBondContact CD-OE2 3.47Å; R311-E324 VanDerWaalsContact CG-OE1 3.31Å; R311-E324 WeakPolarHBondContact CG-OE1 3.42Å; R311-E324 VanDerWaalsContact CG-OE2 3.3Å; R311-E324 WeakPolarHBondContact CG-OE2 3.47Å; R311-E631 IonicContact NH2-OE1 2.81Å; R311-E634 IonicContact CZ-OE1 3.68Å; R311-E634 IonicContact NH1-OE1 2.68Å; R311-E634 PolarHBondContact NH1-OE1 3.4Å; R311-F637 HydrophobicContact CB-CZ 4.27Å
312	R	91.5	Very high	89.2	Confident	53 Å²	53	25.1 Å²	25.1	20%	0.2	13%	0.126	C	C	.	.	H	α-helix	trans	-69.4	-38.2	178	-177.6	59.8	173.9	-177.3	-4.3	113	I271 K272 F274 F276 L308 F309 C310 C316	I271-R312 HydrophobicContact CD1-CB 4.39Å; I271-R312 HydrophobicContact CG1-CB 3.56Å; I271-R312 HydrophobicContact CG1-CG 3.95Å; I271-R312 WeakPolarHBondContact O-CG 3.17Å; I271-R312 PolarHBondContact O-NE 2.99Å; K272-R312 PolarHBondContact O-NH2 3.34Å; F274-R312 PolarHBondContact O-NE 3.42Å; F274-R312 PolarHBondContact O-NH2 3.14Å; F276-R312 HydrophobicContact CD2-CB 4.3Å; F276-R312 HydrophobicContact CD2-CG 3.76Å; F276-R312 HydrophobicContact CE2-CB 4.11Å; F276-R312 HydrophobicContact CE2-CG 3.73Å; L308-R312 WeakPolarHBondContact O-CB 3.44Å; L308-R312 PolarHBondContact O-N 3.1Å; F309-R312 PolarHBondContact O-N 3.5Å; C310-R312 VanDerWaalsContact C-N 3.33Å; C310-R312 PolarHBondContact O-N 2.93Å; R312-C316 WeakPolarHBondContact O-CB 3.3Å; R312-C316 PolarHBondContact O-N 2.98Å
313	Y	93.8	Very high	89.3	Confident	1 Å²	1	26.4 Å²	26.4	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-69.7	-43.5	-177.3	178.5	-88.2	0	0	0	111.7	F276 Y279 V281 A284 F309 C310 C316 N317 F321 V327	F276-Y313 HydrophobicContact CB-CD2 3.8Å; F276-Y313 HydrophobicContact CB-CE2 4.44Å; F276-Y313 HydrophobicContact CD2-CD2 4.45Å; F276-Y313 HydrophobicContact CG-CD2 4.25Å; Y279-Y313 WeakPolarHBondContact O-CE2 3.31Å; Y279-Y313 PolarHBondContact O-OH 3.09Å; Y279-Y313 VanDerWaalsContact O-OH 3.07Å; V281-Y313 HydrophobicContact CB-CE1 4.03Å; V281-Y313 HydrophobicContact CB-CE2 4.16Å; V281-Y313 HydrophobicContact CG2-CD1 4.42Å; V281-Y313 HydrophobicContact CG2-CE1 4.18Å; V281-Y313 HydrophobicContact CG2-CE2 4.5Å; V281-Y313 PolarHBondContact N-OH 3.1Å; V281-Y313 VanDerWaalsContact N-OH 3.08Å; A284-Y313 HydrophobicContact CB-CD2 3.54Å; A284-Y313 HydrophobicContact CB-CE2 3.64Å; F309-Y313 HydrophobicContact CZ-CD2 4.11Å; F309-Y313 HydrophobicContact CZ-CG 4.28Å; F309-Y313 VanDerWaalsContact O-CB 3.25Å; F309-Y313 WeakPolarHBondContact O-CB 3.42Å; F309-Y313 PolarHBondContact O-N 3.49Å; C310-Y313 PolarHBondContact O-N 2.95Å; C310-Y313 VanDerWaalsContact O-N 3.16Å; Y313-C316 PolarHBondContact O-N 2.93Å; Y313-N317 PolarHBondContact O-N 3.45Å; Y313-N317 PolarHBondContact O-ND2 2.84Å; Y313-F321 AromaticContact CE1-CD2 3.87Å; Y313-F321 HydrophobicContact CE1-CD2 3.87Å; Y313-F321 AromaticContact CE1-CE2 3.59Å; Y313-F321 HydrophobicContact CE1-CE2 3.59Å; Y313-V327 HydrophobicContact CD1-CG1 3.7Å; Y313-V327 HydrophobicContact CD1-CG2 4.17Å; Y313-V327 HydrophobicContact CE1-CG1 4.47Å; Y313-V327 HydrophobicContact CG-CG1 4.38Å
314	H	91	Very high	89.5	Confident	23 Å²	23	24.2 Å²	24.2	11%	0.106	13%	0.127	C	C	.	.	H	α-helix	trans	-59.8	-52.4	171.5	-176.7	-78.7	0	0	0	110.9	C310 C316 N317 P318 F321 S322 D323 E324 V327	C310-H314 PolarHBondContact O-N 3.16Å; H314-C316 PolarHBondContact O-N 3.19Å; H314-N317 CarbonylContact O-C 3.22Å; H314-N317 VanDerWaalsContact O-C 3.22Å; H314-N317 PolarHBondContact O-N 2.94Å; H314-P318 WeakPolarHBondContact O-CA 3.25Å; H314-P318 VanDerWaalsContact O-N 3.1Å; H314-F321 PolarHBondContact NE2-O 2.69Å; H314-S322 PolarHBondContact NE2-O 2.9Å; H314-D323 PolarHBondContact CD2-O 3Å; H314-D323 VanDerWaalsContact CD2-O 3.22Å; H314-D323 WeakPolarHBondContact NE2-CA 3.44Å; H314-D323 PolarHBondContact NE2-N 3.24Å; H314-E324 HydrophobicContact CB-CG 4.14Å; H314-V327 HydrophobicContact CB-CG2 4.26Å
315	R	87.4	Confident	89.5	Confident	53 Å²	53	26.1 Å²	26.1	20%	0.2	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-12.8	174	-72.5	169.4	160.7	-164.4	-14.5	115.3	R311 L564 A630 E631	R311-R315 VanDerWaalsContact O-CB 3.26Å; R311-R315 WeakPolarHBondContact O-CB 3.33Å; R311-R315 VanDerWaalsContact O-CD 3.29Å; R311-R315 WeakPolarHBondContact O-CD 3.33Å; R311-R315 WeakPolarHBondContact O-CG 3.48Å; R311-R315 PolarHBondContact O-N 2.97Å; R311-R315 VanDerWaalsContact O-N 3.16Å; R315-L564 WeakPolarHBondContact O-CD1 3.26Å; R315-A630 PolarHBondContact NH2-O 3.4Å; R315-E631 IonicContact CZ-OE1 3.68Å; R315-E631 IonicContact NH1-OE1 2.73Å; R315-E631 IonicContact NH2-OE1 2.67Å; R315-E631 PolarHBondContact NH2-OE1 2.79Å
316	C	88.1	Confident	89.5	Confident	6 Å²	6	26.7 Å²	26.7	4%	0.041	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-22.5	171.6	-84.6	0	0	0	0	113.5	F276 R312 Y313 H314	F276-C316 HydrophobicContact CB-CB 4.04Å; R312-C316 WeakPolarHBondContact O-CB 3.3Å; R312-C316 PolarHBondContact O-N 2.98Å; Y313-C316 PolarHBondContact O-N 2.93Å; H314-C316 PolarHBondContact O-N 3.19Å
317	N	89.3	Confident	89.6	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-139.7	58.8	-174.8	-58.4	-76	0	0	0	112	F276 L278 Y313 H314 C319 L320 Y420	F276-N317 PolarHBondContact O-ND2 3.34Å; L278-N317 PolarHBondContact N-OD1 3.07Å; Y313-N317 PolarHBondContact O-N 3.45Å; Y313-N317 PolarHBondContact O-ND2 2.84Å; H314-N317 CarbonylContact O-C 3.22Å; H314-N317 VanDerWaalsContact O-C 3.22Å; H314-N317 PolarHBondContact O-N 2.94Å; N317-C319 PolarHBondContact O-N 2.65Å; N317-L320 HydrophobicContact CB-CB 4.48Å; N317-L320 HydrophobicContact CB-CD1 3.54Å; N317-L320 HydrophobicContact CB-CG 3.97Å; N317-L320 PolarHBondContact O-N 3.43Å; N317-L320 VanDerWaalsContact O-N 3.14Å; N317-Y420 PolarHBondContact OD1-OH 3.15Å
318	P	82.9	Confident	89.6	Confident	11 Å²	11	27.1 Å²	27.1	7%	0.071	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-4.6	-161.8	33.5	-42.7	0	0	0	115.1	H314 L564 V626	H314-P318 WeakPolarHBondContact O-CA 3.25Å; H314-P318 VanDerWaalsContact O-N 3.1Å; P318-L564 HydrophobicContact CB-CD1 4.25Å; P318-L564 HydrophobicContact CG-CD1 3.71Å; P318-V626 HydrophobicContact CB-CB 4.16Å; P318-V626 HydrophobicContact CB-CG1 3.26Å; P318-V626 HydrophobicContact CB-CG2 3.8Å; P318-V626 HydrophobicContact CG-CG1 3.65Å; P318-V626 HydrophobicContact CG-CG2 4.23Å
319	C	84	Confident	89.6	Confident	39 Å²	39	29.1 Å²	29.1	26%	0.264	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	25.2	179.3	-60.5	0	0	0	0	111.6	N317 C527	N317-C319 PolarHBondContact O-N 2.65Å; C319-C527 HydrophobicContact CB-CB 3.8Å; C319-C527 WeakPolarHBondContact CB-SG 3.28Å; C319-C527 WeakPolarHBondContact SG-CB 3.18Å; C319-C527 CovalentContact SG-SG 2.03Å; C319-C527 PolarHBondContact SG-SG 3.17Å
320	L	89.2	Confident	89.6	Confident	39 Å²	39	29.1 Å²	29.1	20%	0.204	15%	0.148	C	C	.	.	S	Bend	trans	-104.8	-30.2	169.3	-69.2	-177	0	0	0	113.1	N317 A418 Y420	N317-L320 HydrophobicContact CB-CB 4.48Å; N317-L320 HydrophobicContact CB-CD1 3.54Å; N317-L320 HydrophobicContact CB-CG 3.97Å; N317-L320 PolarHBondContact O-N 3.43Å; N317-L320 VanDerWaalsContact O-N 3.14Å; L320-A418 HydrophobicContact CD1-CB 3.63Å; L320-A418 HydrophobicContact CD2-CB 4.33Å; L320-Y420 HydrophobicContact CD1-CE1 4.27Å; L320-Y420 HydrophobicContact CD2-CD1 3.23Å; L320-Y420 HydrophobicContact CD2-CD2 4.29Å; L320-Y420 HydrophobicContact CD2-CE1 3.54Å; L320-Y420 HydrophobicContact CD2-CG 3.62Å; L320-Y420 HydrophobicContact CG-CD1 3.78Å; L320-Y420 HydrophobicContact CG-CE1 3.63Å
321	F	89.9	Confident	89.7	Confident	14 Å²	14	29 Å²	29	6%	0.061	15%	0.148	C	C	.	.	S	Bend	trans	-141.9	151.3	-173.1	-59.6	-81.2	0	0	0	108.3	Y313 H314 E326 V327 L330 Y366 L370	Y313-F321 AromaticContact CE1-CD2 3.87Å; Y313-F321 HydrophobicContact CE1-CD2 3.87Å; Y313-F321 AromaticContact CE1-CE2 3.59Å; Y313-F321 HydrophobicContact CE1-CE2 3.59Å; H314-F321 PolarHBondContact NE2-O 2.69Å; F321-E326 HydrophobicContact CB-CB 4.46Å; F321-E326 HydrophobicContact CB-CG 4.33Å; F321-E326 HydrophobicContact CD1-CG 3.89Å; F321-E326 WeakPolarHBondContact CD1-OE1 3.32Å; F321-V327 HydrophobicContact CB-CG2 3.72Å; F321-V327 HydrophobicContact CD1-CG2 4.45Å; F321-V327 HydrophobicContact CD2-CG2 3.87Å; F321-V327 HydrophobicContact CG-CG2 3.73Å; F321-L330 HydrophobicContact CE1-CD2 3.62Å; F321-L330 HydrophobicContact CZ-CD2 3.88Å; F321-Y366 HydrophobicContact CD1-CE1 4.36Å; F321-Y366 HydrophobicContact CE1-CD1 4.25Å; F321-Y366 HydrophobicContact CE1-CE1 4.19Å; F321-L370 HydrophobicContact CE1-CD2 4.4Å; F321-L370 HydrophobicContact CZ-CD2 4.3Å
322	S	86.7	Confident	89.7	Confident	95 Å²	95	29.6 Å²	29.6	66%	0.664	16%	0.155	S	C	*	.	S	Bend	trans	-66.9	-49.8	-173.9	-44.2	0	0	0	0	111.1	H314 E326	H314-S322 PolarHBondContact NE2-O 2.9Å; S322-E326 VanDerWaalsContact CB-OE2 3.22Å; S322-E326 WeakPolarHBondContact CB-OE2 3.34Å; S322-E326 PolarHBondContact N-OE2 3.39Å; S322-E326 PolarHBondContact OG-OE2 3.05Å
323	D	86.3	Confident	89.8	Confident	57 Å²	57	27.7 Å²	27.7	31%	0.305	15%	0.15	S	C	.	.	S	Bend	trans	-147.7	177.7	-169.4	54.4	63.4	0	0	0	111.2	H314 E325 E326 H364	H314-D323 PolarHBondContact CD2-O 3Å; H314-D323 VanDerWaalsContact CD2-O 3.22Å; H314-D323 WeakPolarHBondContact NE2-CA 3.44Å; H314-D323 PolarHBondContact NE2-N 3.24Å; D323-E325 VanDerWaalsContact C-N 3.27Å; D323-E325 PolarHBondContact O-N 3.5Å; D323-E325 WeakPolarHBondContact OD1-CA 3.42Å; D323-E325 WeakPolarHBondContact OD1-CB 3.49Å; D323-E325 PolarHBondContact OD1-N 2.82Å; D323-E326 PolarHBondContact OD1-N 2.83Å; D323-H364 IonicContact OD1-CE1 3.13Å; D323-H364 IonicContact OD2-CE1 3.9Å
324	E	88.8	Confident	89.8	Confident	36 Å²	36	27.7 Å²	27.7	17%	0.168	15%	0.15	C	C	.	.	H	α-helix	trans	-71.7	-21.5	179.2	-57	-171.7	178	0	0	112.7	R311 H314 Y328 F637	R311-E324 WeakPolarHBondContact CA-OE2 3.2Å; R311-E324 WeakPolarHBondContact CB-OE2 3.48Å; R311-E324 WeakPolarHBondContact CD-OE2 3.47Å; R311-E324 VanDerWaalsContact CG-OE1 3.31Å; R311-E324 WeakPolarHBondContact CG-OE1 3.42Å; R311-E324 VanDerWaalsContact CG-OE2 3.3Å; R311-E324 WeakPolarHBondContact CG-OE2 3.47Å; H314-E324 HydrophobicContact CB-CG 4.14Å; E324-Y328 PolarHBondContact O-N 3.28Å; E324-Y328 VanDerWaalsContact O-N 3.1Å; E324-F637 VanDerWaalsContact OE2-CE2 3.28Å; E324-F637 WeakPolarHBondContact OE2-CE2 3.39Å
325	E	87.4	Confident	89.8	Confident	84 Å²	84	27.2 Å²	27.2	39%	0.393	15%	0.148	S	C	.	.	H	α-helix	trans	-78.8	-38.4	-178.3	-59	-179.7	-163.5	0	0	111	D323 V327 Y328 H329	D323-E325 VanDerWaalsContact C-N 3.27Å; D323-E325 PolarHBondContact O-N 3.5Å; D323-E325 WeakPolarHBondContact OD1-CA 3.42Å; D323-E325 WeakPolarHBondContact OD1-CB 3.49Å; D323-E325 PolarHBondContact OD1-N 2.82Å; E325-V327 VanDerWaalsContact C-N 3.28Å; E325-V327 PolarHBondContact O-N 3.29Å; E325-Y328 PolarHBondContact O-N 2.83Å; E325-Y328 VanDerWaalsContact O-N 3.11Å; E325-H329 PolarHBondContact O-N 3.41Å; E325-H329 PolarHBondContact O-ND1 2.65Å
326	E	91.4	Very high	90	Very high	15 Å²	15	27.1 Å²	27.1	7%	0.07	16%	0.156	C	C	.	.	H	α-helix	trans	-58.5	-40.9	171.8	-175.1	175.6	170.2	0	0	111.2	F321 S322 D323 L330 H364 Y366	F321-E326 HydrophobicContact CB-CB 4.46Å; F321-E326 HydrophobicContact CB-CG 4.33Å; F321-E326 HydrophobicContact CD1-CG 3.89Å; F321-E326 WeakPolarHBondContact CD1-OE1 3.32Å; S322-E326 VanDerWaalsContact CB-OE2 3.22Å; S322-E326 WeakPolarHBondContact CB-OE2 3.34Å; S322-E326 PolarHBondContact N-OE2 3.39Å; S322-E326 PolarHBondContact OG-OE2 3.05Å; D323-E326 PolarHBondContact OD1-N 2.83Å; E326-L330 WeakPolarHBondContact O-CB 3.47Å; E326-L330 PolarHBondContact O-N 2.7Å; E326-H364 WeakPolarHBondContact CB-ND1 3.29Å; E326-H364 HydrophobicContact CG-CB 3.83Å; E326-Y366 HydrophobicContact CG-CE1 3.61Å; E326-Y366 PolarHBondContact O-OH 3.04Å
327	V	93.4	Very high	90.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.8	-42.2	174.8	179.6	0	0	0	0	110.5	C310 Y313 H314 F321 E325 L330 C331	C310-V327 HydrophobicContact CB-CB 4.23Å; C310-V327 HydrophobicContact CB-CG1 3.86Å; Y313-V327 HydrophobicContact CD1-CG1 3.7Å; Y313-V327 HydrophobicContact CD1-CG2 4.17Å; Y313-V327 HydrophobicContact CE1-CG1 4.47Å; Y313-V327 HydrophobicContact CG-CG1 4.38Å; H314-V327 HydrophobicContact CB-CG2 4.26Å; F321-V327 HydrophobicContact CB-CG2 3.72Å; F321-V327 HydrophobicContact CD1-CG2 4.45Å; F321-V327 HydrophobicContact CD2-CG2 3.87Å; F321-V327 HydrophobicContact CG-CG2 3.73Å; E325-V327 VanDerWaalsContact C-N 3.28Å; E325-V327 PolarHBondContact O-N 3.29Å; V327-L330 PolarHBondContact O-N 2.76Å; V327-C331 WeakPolarHBondContact O-CB 3.22Å; V327-C331 PolarHBondContact O-N 2.98Å; V327-C331 PolarHBondContact O-SG 3.44Å
328	Y	91.5	Very high	90.3	Very high	19 Å²	19	26.8 Å²	26.8	8%	0.075	15%	0.154	C	C	.	.	H	α-helix	trans	-64.5	-48.8	179.3	-179	-110.6	0	0	0	112.9	L306 L307 C310 E324 E325 L330 C331 C332 F644	L306-Y328 HydrophobicContact CD2-CD2 4.23Å; L306-Y328 HydrophobicContact CD2-CE2 3.77Å; L306-Y328 HydrophobicContact CG-CD2 4.18Å; L306-Y328 HydrophobicContact CG-CE2 4.02Å; L307-Y328 HydrophobicContact CD1-CE2 3.99Å; L307-Y328 HydrophobicContact CD2-CD1 4.2Å; L307-Y328 HydrophobicContact CD2-CD2 3.23Å; L307-Y328 HydrophobicContact CD2-CE1 4.42Å; L307-Y328 HydrophobicContact CD2-CE2 3.49Å; L307-Y328 VanDerWaalsContact CD2-CE2 3.49Å; L307-Y328 HydrophobicContact CD2-CG 3.61Å; L307-Y328 HydrophobicContact CG-CD2 3.72Å; L307-Y328 HydrophobicContact CG-CE2 3.53Å; C310-Y328 VanDerWaalsContact SG-CA 3.55Å; E324-Y328 PolarHBondContact O-N 3.28Å; E324-Y328 VanDerWaalsContact O-N 3.1Å; E325-Y328 PolarHBondContact O-N 2.83Å; E325-Y328 VanDerWaalsContact O-N 3.11Å; Y328-L330 VanDerWaalsContact C-N 3.31Å; Y328-L330 PolarHBondContact O-N 3.03Å; Y328-C331 PolarHBondContact O-N 3.46Å; Y328-C331 VanDerWaalsContact O-N 3.13Å; Y328-C332 VanDerWaalsContact CZ-SG 3.59Å; Y328-C332 PolarHBondContact O-N 3.4Å; Y328-C332 PolarHBondContact O-SG 2.83Å; Y328-F644 HydrophobicContact CD1-CD1 4.41Å; Y328-F644 HydrophobicContact CD1-CE1 4.02Å; Y328-F644 HydrophobicContact CD1-CZ 4.45Å; Y328-F644 AromaticContact CE1-CD1 3.84Å; Y328-F644 HydrophobicContact CE1-CD1 3.84Å; Y328-F644 AromaticContact CE1-CE1 3.65Å; Y328-F644 HydrophobicContact CE1-CE1 3.65Å; Y328-F644 HydrophobicContact CE1-CZ 4.5Å
329	H	91.1	Very high	90.6	Very high	47 Å²	47	29.8 Å²	29.8	22%	0.218	16%	0.164	C	C	.	.	H	α-helix	trans	-51.9	-49.4	174.1	-77.9	93.7	0	0	0	111.6	E325 C331 C332 A333 H364 Y366 F644	E325-H329 PolarHBondContact O-N 3.41Å; E325-H329 PolarHBondContact O-ND1 2.65Å; H329-C331 PolarHBondContact O-N 3.26Å; H329-C332 PolarHBondContact O-N 2.79Å; H329-A333 PolarHBondContact O-N 2.94Å; H329-H364 AromaticContact CE1-CD2 3.71Å; H329-H364 AromaticContact CE1-NE2 3.22Å; H329-H364 PolarHBondContact CE1-NE2 3Å; H329-H364 AromaticContact CG-CD2 3.84Å; H329-H364 AromaticContact CG-NE2 3.97Å; H329-H364 AromaticContact ND1-CD2 3.51Å; H329-H364 AromaticContact ND1-NE2 3.16Å; H329-H364 PolarHBondContact ND1-NE2 3.25Å; H329-H364 VanDerWaalsContact ND1-NE2 3.16Å; H329-Y366 WeakPolarHBondContact CB-OH 3.31Å; H329-F644 AromaticContact CD2-CZ 3.87Å; H329-F644 AromaticContact CE1-CE2 3.43Å; H329-F644 VanDerWaalsContact CE1-CE2 3.43Å; H329-F644 WeakPolarHBondContact CE1-CE2 3.38Å; H329-F644 AromaticContact CE1-CZ 3.58Å; H329-F644 AromaticContact NE2-CE2 3.52Å; H329-F644 AromaticContact NE2-CZ 3.39Å; H329-F644 WeakPolarHBondContact NE2-CZ 3.25Å
330	L	94.3	Very high	91	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.5	-41.1	179.6	-175.3	57.3	0	0	0	111.6	V281 F321 E326 V327 Y328 A333 L334 I359 Y366 L371 L374	V281-L330 HydrophobicContact CG1-CD2 3.9Å; V281-L330 HydrophobicContact CG1-CG 4.44Å; F321-L330 HydrophobicContact CE1-CD2 3.62Å; F321-L330 HydrophobicContact CZ-CD2 3.88Å; E326-L330 WeakPolarHBondContact O-CB 3.47Å; E326-L330 PolarHBondContact O-N 2.7Å; V327-L330 PolarHBondContact O-N 2.76Å; Y328-L330 VanDerWaalsContact C-N 3.31Å; Y328-L330 PolarHBondContact O-N 3.03Å; L330-A333 PolarHBondContact O-N 3.16Å; L330-L334 HydrophobicContact CD1-CD1 4.37Å; L330-L334 HydrophobicContact CD1-CG 4.37Å; L330-L334 HydrophobicContact CG-CD1 4.08Å; L330-L334 WeakPolarHBondContact O-CB 3.44Å; L330-L334 WeakPolarHBondContact O-CG 3.1Å; L330-L334 PolarHBondContact O-N 2.96Å; L330-I359 HydrophobicContact CD1-CD1 4.23Å; L330-Y366 HydrophobicContact CB-CE1 3.81Å; L330-Y366 HydrophobicContact CD1-CD1 4.44Å; L330-Y366 HydrophobicContact CD1-CE1 4.32Å; L330-Y366 HydrophobicContact CD2-CD1 4.03Å; L330-Y366 HydrophobicContact CD2-CE1 3.86Å; L330-Y366 HydrophobicContact CG-CE1 4.21Å; L330-L371 HydrophobicContact CD1-CD2 3.93Å; L330-L374 HydrophobicContact CD1-CD1 4.05Å; L330-L374 HydrophobicContact CD2-CD1 4.06Å; L330-L374 HydrophobicContact CG-CD1 4.4Å
331	C	94.5	Very high	91.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.2	-42.2	177.1	-67.8	0	0	0	0	112.4	V281 L285 L306 V327 Y328 H329 L334 L335	V281-C331 VanDerWaalsContact CG2-SG 3.57Å; L285-C331 HydrophobicContact CD2-CB 4.39Å; L306-C331 HydrophobicContact CD1-CB 4.08Å; V327-C331 WeakPolarHBondContact O-CB 3.22Å; V327-C331 PolarHBondContact O-N 2.98Å; V327-C331 PolarHBondContact O-SG 3.44Å; Y328-C331 PolarHBondContact O-N 3.46Å; Y328-C331 VanDerWaalsContact O-N 3.13Å; H329-C331 PolarHBondContact O-N 3.26Å; C331-L334 PolarHBondContact O-N 3.44Å; C331-L335 WeakPolarHBondContact O-CB 3.41Å; C331-L335 VanDerWaalsContact O-CG 3.25Å; C331-L335 WeakPolarHBondContact O-CG 3.16Å; C331-L335 PolarHBondContact O-N 3.49Å
332	C	91.1	Very high	91.1	Very high	30 Å²	30	30.8 Å²	30.8	20%	0.203	17%	0.165	C	C	.	.	H	α-helix	trans	-59	-49.4	173.4	-73	0	0	0	0	111.4	Y328 H329 L334 L335 S336	Y328-C332 VanDerWaalsContact CZ-SG 3.59Å; Y328-C332 PolarHBondContact O-N 3.4Å; Y328-C332 PolarHBondContact O-SG 2.83Å; H329-C332 PolarHBondContact O-N 2.79Å; C332-L334 VanDerWaalsContact C-N 3.3Å; C332-L334 PolarHBondContact O-N 2.84Å; C332-L335 PolarHBondContact O-N 2.89Å; C332-L335 VanDerWaalsContact O-N 3.14Å; C332-S336 PolarHBondContact O-N 3.21Å; C332-S336 PolarHBondContact O-OG 3.39Å
333	A	92.9	Very high	91.1	Very high	13 Å²	13	29.3 Å²	29.3	11%	0.107	15%	0.146	C	C	.	.	H	α-helix	trans	-61	-37.5	177.9	0	0	0	0	0	112.7	H329 L330 L337 F355 I359	H329-A333 PolarHBondContact O-N 2.94Å; L330-A333 PolarHBondContact O-N 3.16Å; A333-L337 WeakPolarHBondContact O-CB 3.31Å; A333-L337 PolarHBondContact O-N 3.39Å; A333-F355 HydrophobicContact CB-CE2 4.45Å; A333-I359 HydrophobicContact CB-CD1 3.74Å; A333-I359 HydrophobicContact CB-CG1 3.86Å
334	L	94.4	Very high	91	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.4	-36.9	174.5	-70.2	171	0	0	0	112.9	V281 L330 C331 C332 L337 D338 F355 L374 V378 L383	V281-L334 HydrophobicContact CG1-CD1 3.94Å; L330-L334 HydrophobicContact CD1-CD1 4.37Å; L330-L334 HydrophobicContact CD1-CG 4.37Å; L330-L334 HydrophobicContact CG-CD1 4.08Å; L330-L334 WeakPolarHBondContact O-CB 3.44Å; L330-L334 WeakPolarHBondContact O-CG 3.1Å; L330-L334 PolarHBondContact O-N 2.96Å; C331-L334 PolarHBondContact O-N 3.44Å; C332-L334 VanDerWaalsContact C-N 3.3Å; C332-L334 PolarHBondContact O-N 2.84Å; L334-L337 PolarHBondContact O-N 3.45Å; L334-D338 VanDerWaalsContact O-CB 3.3Å; L334-D338 WeakPolarHBondContact O-CB 3.41Å; L334-D338 PolarHBondContact O-N 3.39Å; L334-F355 HydrophobicContact CD2-CZ 3.8Å; L334-L374 HydrophobicContact CD1-CD1 4.32Å; L334-L374 HydrophobicContact CD1-CD2 4.37Å; L334-L374 HydrophobicContact CD2-CB 3.81Å; L334-L374 HydrophobicContact CD2-CD1 4.4Å; L334-V378 HydrophobicContact CD2-CG2 4.05Å; L334-L383 HydrophobicContact CB-CD1 4.04Å; L334-L383 WeakPolarHBondContact O-CD1 3.44Å
335	L	91.8	Very high	90.7	Very high	13 Å²	13	30.5 Å²	30.5	7%	0.068	16%	0.163	C	C	.	.	H	α-helix	trans	-69.2	-35.1	176.3	-73.1	170.3	0	0	0	112.7	L285 L289 V301 L306 C331 C332 Y339 L383 R384	L285-L335 HydrophobicContact CD2-CD2 4.38Å; L285-L335 HydrophobicContact CD2-CG 4.37Å; L289-L335 HydrophobicContact CD1-CD2 3.79Å; V301-L335 HydrophobicContact CB-CD1 4.06Å; V301-L335 HydrophobicContact CG1-CD1 4.46Å; V301-L335 HydrophobicContact CG2-CD1 3.85Å; V301-L335 HydrophobicContact CG2-CD2 3.72Å; V301-L335 HydrophobicContact CG2-CG 4.41Å; L306-L335 HydrophobicContact CD1-CD1 3.91Å; L306-L335 HydrophobicContact CD2-CD1 3.54Å; L306-L335 HydrophobicContact CG-CD1 4.39Å; C331-L335 WeakPolarHBondContact O-CB 3.41Å; C331-L335 VanDerWaalsContact O-CG 3.25Å; C331-L335 WeakPolarHBondContact O-CG 3.16Å; C331-L335 PolarHBondContact O-N 3.49Å; C332-L335 PolarHBondContact O-N 2.89Å; C332-L335 VanDerWaalsContact O-N 3.14Å; L335-Y339 PolarHBondContact O-N 3.06Å; L335-L383 HydrophobicContact CD2-CD1 4.33Å; L335-R384 PolarHBondContact O-NH1 2.83Å; L335-R384 VanDerWaalsContact O-NH1 3.1Å
336	S	90	Very high	90.7	Very high	51 Å²	51	33.1 Å²	33.1	36%	0.357	18%	0.179	S	C	.	.	H	α-helix	trans	-70.5	-41	171.9	-61.8	0	0	0	0	112.2	C332 Y339 N340	C332-S336 PolarHBondContact O-N 3.21Å; C332-S336 PolarHBondContact O-OG 3.39Å; S336-Y339 PolarHBondContact O-N 2.93Å; S336-N340 PolarHBondContact O-N 2.99Å
337	L	93.6	Very high	90.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-45.2	172.1	178.2	70.5	0	0	0	111.1	A333 L334 Y339 N340 L341 M350 F355 Y375 V378	A333-L337 WeakPolarHBondContact O-CB 3.31Å; A333-L337 PolarHBondContact O-N 3.39Å; L334-L337 PolarHBondContact O-N 3.45Å; L337-Y339 VanDerWaalsContact C-N 3.33Å; L337-Y339 PolarHBondContact O-N 3.46Å; L337-N340 PolarHBondContact O-N 3.38Å; L337-L341 HydrophobicContact CD1-CD1 3.77Å; L337-L341 HydrophobicContact CD1-CD2 4.43Å; L337-L341 HydrophobicContact CD1-CG 3.84Å; L337-L341 HydrophobicContact CD2-CD1 4.4Å; L337-L341 HydrophobicContact CG-CD1 3.89Å; L337-L341 HydrophobicContact CG-CG 4.19Å; L337-L341 WeakPolarHBondContact O-CB 3.32Å; L337-L341 WeakPolarHBondContact O-CG 3.33Å; L337-L341 PolarHBondContact O-N 3.18Å; L337-M350 HydrophobicContact CB-CE 4.23Å; L337-M350 HydrophobicContact CD1-CB 4.5Å; L337-M350 HydrophobicContact CD1-CE 3.71Å; L337-M350 HydrophobicContact CD1-CG 4.22Å; L337-F355 HydrophobicContact CB-CD2 4.05Å; L337-F355 HydrophobicContact CB-CE2 3.86Å; L337-F355 HydrophobicContact CD1-CD2 3.99Å; L337-F355 HydrophobicContact CD1-CG 4.34Å; L337-F355 HydrophobicContact CD2-CD1 4.42Å; L337-F355 HydrophobicContact CD2-CD2 3.88Å; L337-F355 HydrophobicContact CD2-CE1 4.27Å; L337-F355 HydrophobicContact CD2-CE2 3.71Å; L337-F355 HydrophobicContact CD2-CG 4.23Å; L337-F355 HydrophobicContact CD2-CZ 3.91Å; L337-F355 HydrophobicContact CG-CD2 4.18Å; L337-F355 HydrophobicContact CG-CE2 4.23Å; L337-Y375 HydrophobicContact CD1-CD2 3.73Å; L337-Y375 HydrophobicContact CD1-CE2 3.81Å; L337-Y375 HydrophobicContact CD2-CD2 3.77Å; L337-Y375 HydrophobicContact CD2-CG 4.35Å; L337-Y375 HydrophobicContact CG-CD2 4.4Å; L337-V378 HydrophobicContact CD2-CB 3.92Å; L337-V378 HydrophobicContact CD2-CG1 4.04Å; L337-V378 HydrophobicContact CD2-CG2 4.31Å; L337-V378 HydrophobicContact CG-CB 4.49Å; L337-V378 HydrophobicContact CG-CG1 4.07Å
338	D	92.1	Very high	90.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-40.6	177.9	-176.7	62.2	0	0	0	112	L334 H342 F343 V378 S382 L383 R384	L334-D338 VanDerWaalsContact O-CB 3.3Å; L334-D338 WeakPolarHBondContact O-CB 3.41Å; L334-D338 PolarHBondContact O-N 3.39Å; D338-H342 PolarHBondContact O-N 3Å; D338-H342 VanDerWaalsContact O-N 3.09Å; D338-H342 IonicContact OD1-CD2 3.98Å; D338-H342 PolarHBondContact OD1-CD2 2.88Å; D338-F343 WeakPolarHBondContact O-CD2 3.46Å; D338-V378 HydrophobicContact CB-CG1 3.79Å; D338-S382 VanDerWaalsContact CG-OG 3.29Å; D338-S382 WeakPolarHBondContact OD1-CA 3.42Å; D338-S382 VanDerWaalsContact OD1-CB 3.29Å; D338-S382 WeakPolarHBondContact OD1-CB 3.42Å; D338-S382 PolarHBondContact OD1-OG 3.15Å; D338-S382 PolarHBondContact OD2-OG 3.25Å; D338-L383 HydrophobicContact CB-CB 4.28Å; D338-L383 HydrophobicContact CB-CD1 3.76Å; D338-L383 HydrophobicContact CB-CG 4.01Å; D338-L383 PolarHBondContact OD1-N 3.46Å; D338-R384 WeakPolarHBondContact OD2-CG 3.5Å; D338-R384 IonicContact OD2-CZ 3.45Å; D338-R384 IonicContact OD2-NH1 3.76Å; D338-R384 PolarHBondContact OD2-NH1 2.99Å
339	Y	89.1	Confident	90.4	Very high	74 Å²	74	44.7 Å²	44.7	29%	0.29	24%	0.242	S	C	.	.	H	α-helix	trans	-60.2	-55.8	171.9	-179.6	-96.6	0	0	0	111.7	W299 L335 S336 L337 L341 H342 F343 D344	W299-Y339 HydrophobicContact CB-CD2 4.15Å; W299-Y339 HydrophobicContact CB-CE2 4.34Å; W299-Y339 AromaticContact CD2-CD2 3.74Å; W299-Y339 HydrophobicContact CD2-CD2 3.74Å; W299-Y339 AromaticContact CD2-CE2 3.64Å; W299-Y339 HydrophobicContact CD2-CE2 3.64Å; W299-Y339 AromaticContact CE2-CE2 3.96Å; W299-Y339 AromaticContact CE3-CD2 3.72Å; W299-Y339 HydrophobicContact CE3-CD2 3.72Å; W299-Y339 HydrophobicContact CE3-CE2 4.03Å; W299-Y339 HydrophobicContact CE3-CG 4.37Å; W299-Y339 AromaticContact CG-CD2 3.92Å; W299-Y339 HydrophobicContact CG-CD2 3.92Å; W299-Y339 AromaticContact CG-CE2 3.76Å; W299-Y339 HydrophobicContact CG-CE2 3.76Å; W299-Y339 HydrophobicContact CZ3-CD2 4.43Å; L335-Y339 PolarHBondContact O-N 3.06Å; S336-Y339 PolarHBondContact O-N 2.93Å; L337-Y339 VanDerWaalsContact C-N 3.33Å; L337-Y339 PolarHBondContact O-N 3.46Å; Y339-L341 VanDerWaalsContact C-N 3.34Å; Y339-L341 PolarHBondContact O-N 2.87Å; Y339-H342 PolarHBondContact O-N 2.74Å; Y339-F343 HydrophobicContact CD2-CB 3.94Å; Y339-F343 HydrophobicContact CE2-CB 4.15Å; Y339-F343 PolarHBondContact O-N 3.07Å; Y339-D344 HydrophobicContact CD1-CB 4.03Å; Y339-D344 HydrophobicContact CE1-CB 3.73Å; Y339-D344 PolarHBondContact O-N 2.83Å
340	N	92.5	Very high	90.5	Very high	15 Å²	15	43.5 Å²	43.5	8%	0.08	24%	0.237	C	C	.	.	H	α-helix	trans	-61.3	-39.4	-178.2	174.5	-98.2	0	0	0	112.6	S336 L337 P348 K349 M350	S336-N340 PolarHBondContact O-N 2.99Å; L337-N340 PolarHBondContact O-N 3.38Å; N340-P348 PolarHBondContact ND2-O 2.73Å; N340-K349 WeakPolarHBondContact O-CD 3.43Å; N340-K349 PolarHBondContact O-NZ 2.92Å; N340-M350 WeakPolarHBondContact OD1-CB 3.49Å; N340-M350 PolarHBondContact OD1-N 3.05Å
341	L	92.3	Very high	90.5	Very high	21 Å²	21	45.6 Å²	45.6	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-72.8	-43.5	-178.6	-69.5	-173.4	0	0	0	113	L337 Y339 K349 Y375 V378 K379	L337-L341 HydrophobicContact CD1-CD1 3.77Å; L337-L341 HydrophobicContact CD1-CD2 4.43Å; L337-L341 HydrophobicContact CD1-CG 3.84Å; L337-L341 HydrophobicContact CD2-CD1 4.4Å; L337-L341 HydrophobicContact CG-CD1 3.89Å; L337-L341 HydrophobicContact CG-CG 4.19Å; L337-L341 WeakPolarHBondContact O-CB 3.32Å; L337-L341 WeakPolarHBondContact O-CG 3.33Å; L337-L341 PolarHBondContact O-N 3.18Å; Y339-L341 VanDerWaalsContact C-N 3.34Å; Y339-L341 PolarHBondContact O-N 2.87Å; L341-K349 HydrophobicContact CD2-CB 4.25Å; L341-K349 PolarHBondContact O-NZ 3.39Å; L341-Y375 HydrophobicContact CD1-CE2 4.42Å; L341-V378 HydrophobicContact CD1-CG1 4.35Å; L341-K379 HydrophobicContact CD1-CB 3.76Å; L341-K379 HydrophobicContact CD1-CG 4.25Å
342	H	88.8	Confident	90.6	Very high	77 Å²	77	47 Å²	47	36%	0.356	26%	0.261	S	S	.	.	H	α-helix	trans	-109.5	-21.7	-168.5	-61.8	-74.4	0	0	0	116.3	D338 Y339 V378	D338-H342 PolarHBondContact O-N 3Å; D338-H342 VanDerWaalsContact O-N 3.09Å; D338-H342 IonicContact OD1-CD2 3.98Å; D338-H342 PolarHBondContact OD1-CD2 2.88Å; Y339-H342 PolarHBondContact O-N 2.74Å; H342-V378 PolarHBondContact NE2-O 2.85Å
343	F	85.1	Confident	90.8	Very high	63 Å²	63	50.6 Å²	50.6	28%	0.276	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-42.2	-169	-59	-85.7	0	0	0	113.2	D338 Y339 S345 R384 H386	D338-F343 WeakPolarHBondContact O-CD2 3.46Å; Y339-F343 HydrophobicContact CD2-CB 3.94Å; Y339-F343 HydrophobicContact CE2-CB 4.15Å; Y339-F343 PolarHBondContact O-N 3.07Å; F343-S345 PolarHBondContact O-N 3.47Å; F343-S345 PolarHBondContact O-OG 2.85Å; F343-R384 HydrophobicContact CE2-CB 4.45Å; F343-R384 HydrophobicContact CZ-CB 4.15Å; F343-H386 AromaticContact CE1-CE1 3.55Å; F343-H386 AromaticContact CE1-ND1 3.82Å; F343-H386 AromaticContact CZ-CE1 3.67Å; F343-H386 AromaticContact CZ-ND1 3.68Å
344	D	85.6	Confident	90.9	Very high	13 Å²	13	53.4 Å²	53.4	7%	0.07	29%	0.288	C	S	.	.			trans	-61.2	120.5	171.7	-168.2	-23.6	0	0	0	109.8	Y339 D346 N347 K349	Y339-D344 HydrophobicContact CD1-CB 4.03Å; Y339-D344 HydrophobicContact CE1-CB 3.73Å; Y339-D344 PolarHBondContact O-N 2.83Å; D344-D346 PolarHBondContact OD1-N 2.82Å; D344-N347 PolarHBondContact OD1-N 2.78Å; D344-N347 PolarHBondContact OD1-ND2 2.88Å; D344-N347 VanDerWaalsContact OD1-ND2 3.12Å; D344-N347 WeakPolarHBondContact OD2-CB 3.25Å; D344-N347 PolarHBondContact OD2-ND2 3.34Å; D344-K349 PolarHBondContact O-NZ 3.35Å
345	S	82.5	Confident	90.9	Very high	106 Å²	106	53.4 Å²	53.4	74%	0.741	29%	0.288	S	S	*	.			trans	-109.4	-10.9	-179.8	-61	0	0	0	0	113	F343	F343-S345 PolarHBondContact O-N 3.47Å; F343-S345 PolarHBondContact O-OG 2.85Å
346	D	87	Confident	91.1	Very high	138 Å²	138	53.1 Å²	53.1	74%	0.738	29%	0.287	S	S	*	.	S	Bend	trans	-100.5	-31.6	-170.9	-57.5	-48.8	0	0	0	111.8	D344	D344-D346 PolarHBondContact OD1-N 2.82Å
347	N	86.3	Confident	91.2	Very high	87 Å²	87	55.2 Å²	55.2	47%	0.465	29%	0.291	S	S	.	.	S	Bend	trans	-92.2	153.2	179.7	-62.9	-70.8	0	0	0	113.1	D344	D344-N347 PolarHBondContact OD1-N 2.78Å; D344-N347 PolarHBondContact OD1-ND2 2.88Å; D344-N347 VanDerWaalsContact OD1-ND2 3.12Å; D344-N347 WeakPolarHBondContact OD2-CB 3.25Å; D344-N347 PolarHBondContact OD2-ND2 3.34Å
348	P	90.8	Very high	91	Very high	86 Å²	86	57.5 Å²	57.5	56%	0.558	30%	0.301	S	S	*	.			trans	-59.2	145.6	170.5	26.1	-35.1	0	0	0	111.7	N340 M350	N340-P348 PolarHBondContact ND2-O 2.73Å; P348-M350 PolarHBondContact O-N 3.08Å
349	K	93.1	Very high	90.9	Very high	104 Å²	104	57.8 Å²	57.8	45%	0.452	30%	0.303	S	S	.	.			trans	-74.4	113.4	179	-57.1	-64.7	172.8	173.1	0	110.1	N340 L341 D344 S351	N340-K349 WeakPolarHBondContact O-CD 3.43Å; N340-K349 PolarHBondContact O-NZ 2.92Å; L341-K349 HydrophobicContact CD2-CB 4.25Å; L341-K349 PolarHBondContact O-NZ 3.39Å; D344-K349 PolarHBondContact O-NZ 3.35Å; K349-S351 PolarHBondContact O-N 3.49Å
350	M	91.8	Very high	90.7	Very high	23 Å²	23	58 Å²	58	11%	0.113	32%	0.316	C	S	.	.			trans	-51.1	130.6	177.5	166.8	153.7	51.5	0	0	111	L337 N340 P348 D354 F355 Q358 Y375	L337-M350 HydrophobicContact CB-CE 4.23Å; L337-M350 HydrophobicContact CD1-CB 4.5Å; L337-M350 HydrophobicContact CD1-CE 3.71Å; L337-M350 HydrophobicContact CD1-CG 4.22Å; N340-M350 WeakPolarHBondContact OD1-CB 3.49Å; N340-M350 PolarHBondContact OD1-N 3.05Å; P348-M350 PolarHBondContact O-N 3.08Å; M350-D354 HydrophobicContact CG-CB 4.29Å; M350-F355 HydrophobicContact CE-CD2 4.27Å; M350-F355 HydrophobicContact CG-CB 4.02Å; M350-F355 HydrophobicContact SD-CB 3.91Å; M350-F355 HydrophobicContact SD-CD2 4.36Å; M350-Q358 PolarHBondContact SD-OE1 2.79Å; M350-Q358 VanDerWaalsContact SD-OE1 3.37Å; M350-Y375 WeakPolarHBondContact O-CE2 3.44Å; M350-Y375 PolarHBondContact O-OH 2.85Å; M350-Y375 VanDerWaalsContact O-OH 3.08Å
351	S	96	Very high	90.1	Very high	44 Å²	44	64.4 Å²	64.4	31%	0.308	35%	0.345	S	S	.	.			trans	-83.4	169.2	178.7	88.8	0	0	0	0	112.3	K349 H353 D354 F355 Y375	K349-S351 PolarHBondContact O-N 3.49Å; S351-H353 PolarHBondContact O-N 2.83Å; S351-H353 PolarHBondContact OG-N 3.33Å; S351-H353 VanDerWaalsContact OG-N 3.16Å; S351-D354 WeakPolarHBondContact CA-OD2 3.37Å; S351-D354 WeakPolarHBondContact CB-OD2 3.27Å; S351-D354 PolarHBondContact N-OD2 3.17Å; S351-D354 PolarHBondContact O-N 2.99Å; S351-D354 PolarHBondContact OG-N 3.07Å; S351-D354 PolarHBondContact OG-OD1 3.38Å; S351-D354 VanDerWaalsContact OG-OD1 3.09Å; S351-D354 PolarHBondContact OG-OD2 3.14Å; S351-F355 WeakPolarHBondContact O-CB 3.49Å; S351-F355 PolarHBondContact O-N 2.93Å; S351-F355 VanDerWaalsContact O-N 3.08Å; S351-Y375 VanDerWaalsContact C-CE2 3.44Å
352	C	96.2	Very high	89.4	Confident	28 Å²	28	65.2 Å²	65.2	19%	0.189	35%	0.352	C	S	.	.	H	α-helix	trans	-65.4	-23.4	174.9	-165.8	0	0	0	0	112.1	I356 Y375	C352-I356 VanDerWaalsContact O-CD1 3.24Å; C352-I356 WeakPolarHBondContact O-CD1 3.17Å; C352-I356 VanDerWaalsContact O-CG1 3.22Å; C352-I356 WeakPolarHBondContact O-CG1 3.29Å; C352-Y375 HydrophobicContact CB-CD1 3.62Å; C352-Y375 HydrophobicContact CB-CD2 4.36Å; C352-Y375 HydrophobicContact CB-CE1 3.54Å; C352-Y375 HydrophobicContact CB-CE2 4.29Å; C352-Y375 HydrophobicContact CB-CG 4.04Å; C352-Y375 VanDerWaalsContact N-CZ 3.3Å; C352-Y375 PolarHBondContact N-OH 3.24Å
353	H	95.3	Very high	89	Confident	106 Å²	106	66.1 Å²	66.1	49%	0.491	37%	0.373	S	S	.	.	H	α-helix	trans	-72.3	-55.5	174	-173.9	-84.2	0	0	0	110.1	S351 F355 I356 E357	S351-H353 PolarHBondContact O-N 2.83Å; S351-H353 PolarHBondContact OG-N 3.33Å; S351-H353 VanDerWaalsContact OG-N 3.16Å; H353-F355 VanDerWaalsContact C-N 3.31Å; H353-F355 PolarHBondContact O-N 3.48Å; H353-I356 WeakPolarHBondContact O-CA 3.26Å; H353-I356 WeakPolarHBondContact O-CB 3.49Å; H353-I356 PolarHBondContact O-N 2.83Å; H353-E357 IonicContact CE1-OE2 3.15Å; H353-E357 PolarHBondContact CE1-OE2 3.18Å; H353-E357 IonicContact ND1-OE2 2.75Å; H353-E357 PolarHBondContact ND1-OE2 3.36Å; H353-E357 VanDerWaalsContact ND1-OE2 3.16Å; H353-E357 PolarHBondContact O-N 3.12Å
354	D	94.7	Very high	88.9	Confident	73 Å²	73	64.7 Å²	64.7	39%	0.39	37%	0.367	S	S	.	.	H	α-helix	trans	-64.3	-37.2	-172.2	-29.1	-41.9	0	0	0	111	M350 S351 I356 E357 Q358	M350-D354 HydrophobicContact CG-CB 4.29Å; S351-D354 WeakPolarHBondContact CA-OD2 3.37Å; S351-D354 WeakPolarHBondContact CB-OD2 3.27Å; S351-D354 PolarHBondContact N-OD2 3.17Å; S351-D354 PolarHBondContact O-N 2.99Å; S351-D354 PolarHBondContact OG-N 3.07Å; S351-D354 PolarHBondContact OG-OD1 3.38Å; S351-D354 VanDerWaalsContact OG-OD1 3.09Å; S351-D354 PolarHBondContact OG-OD2 3.14Å; D354-I356 VanDerWaalsContact C-N 3.34Å; D354-I356 PolarHBondContact O-N 3.29Å; D354-E357 PolarHBondContact O-N 2.68Å; D354-Q358 VanDerWaalsContact O-CB 3.26Å; D354-Q358 WeakPolarHBondContact O-CB 3.22Å; D354-Q358 PolarHBondContact O-N 3.01Å
355	F	95.2	Very high	89	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-60.5	-39.4	172.2	175.9	-108.1	0	0	0	113.1	A333 L334 L337 M350 S351 H353 I359 L371 Y375	A333-F355 HydrophobicContact CB-CE2 4.45Å; L334-F355 HydrophobicContact CD2-CZ 3.8Å; L337-F355 HydrophobicContact CB-CD2 4.05Å; L337-F355 HydrophobicContact CB-CE2 3.86Å; L337-F355 HydrophobicContact CD1-CD2 3.99Å; L337-F355 HydrophobicContact CD1-CG 4.34Å; L337-F355 HydrophobicContact CD2-CD1 4.42Å; L337-F355 HydrophobicContact CD2-CD2 3.88Å; L337-F355 HydrophobicContact CD2-CE1 4.27Å; L337-F355 HydrophobicContact CD2-CE2 3.71Å; L337-F355 HydrophobicContact CD2-CG 4.23Å; L337-F355 HydrophobicContact CD2-CZ 3.91Å; L337-F355 HydrophobicContact CG-CD2 4.18Å; L337-F355 HydrophobicContact CG-CE2 4.23Å; M350-F355 HydrophobicContact CE-CD2 4.27Å; M350-F355 HydrophobicContact CG-CB 4.02Å; M350-F355 HydrophobicContact SD-CB 3.91Å; M350-F355 HydrophobicContact SD-CD2 4.36Å; S351-F355 WeakPolarHBondContact O-CB 3.49Å; S351-F355 PolarHBondContact O-N 2.93Å; S351-F355 VanDerWaalsContact O-N 3.08Å; H353-F355 VanDerWaalsContact C-N 3.31Å; H353-F355 PolarHBondContact O-N 3.48Å; F355-I359 HydrophobicContact CD1-CD1 4.39Å; F355-I359 HydrophobicContact CD2-CD1 4.1Å; F355-I359 HydrophobicContact CE1-CD1 3.82Å; F355-I359 HydrophobicContact CE2-CD1 3.48Å; F355-I359 VanDerWaalsContact CE2-CD1 3.48Å; F355-I359 HydrophobicContact CE2-CG1 4.41Å; F355-I359 HydrophobicContact CZ-CD1 3.32Å; F355-I359 WeakPolarHBondContact O-CB 3.32Å; F355-I359 WeakPolarHBondContact O-CG1 3.41Å; F355-I359 PolarHBondContact O-N 3.26Å; F355-L371 HydrophobicContact CE1-CB 4.27Å; F355-L371 HydrophobicContact CE1-CD2 4.47Å; F355-Y375 HydrophobicContact CB-CD2 3.95Å; F355-Y375 HydrophobicContact CB-CE2 4.47Å; F355-Y375 HydrophobicContact CD1-CD2 4.08Å; F355-Y375 HydrophobicContact CD1-CG 4.41Å; F355-Y375 HydrophobicContact CG-CD2 4.07Å
356	I	94.4	Very high	89.4	Confident	7 Å²	7	66 Å²	66	4%	0.036	37%	0.374	C	S	.	.	H	α-helix	trans	-72.6	-38.9	177	-68.8	171.9	0	0	0	110.5	C352 H353 D354 S360 R368 L371 K372	C352-I356 VanDerWaalsContact O-CD1 3.24Å; C352-I356 WeakPolarHBondContact O-CD1 3.17Å; C352-I356 VanDerWaalsContact O-CG1 3.22Å; C352-I356 WeakPolarHBondContact O-CG1 3.29Å; H353-I356 WeakPolarHBondContact O-CA 3.26Å; H353-I356 WeakPolarHBondContact O-CB 3.49Å; H353-I356 PolarHBondContact O-N 2.83Å; D354-I356 VanDerWaalsContact C-N 3.34Å; D354-I356 PolarHBondContact O-N 3.29Å; I356-S360 VanDerWaalsContact O-CB 3.31Å; I356-S360 WeakPolarHBondContact O-CB 3.33Å; I356-S360 PolarHBondContact O-N 3.4Å; I356-S360 PolarHBondContact O-OG 2.79Å; I356-R368 HydrophobicContact CG2-CG 4.27Å; I356-L371 HydrophobicContact CB-CD1 4.47Å; I356-L371 HydrophobicContact CD1-CB 4.37Å; I356-L371 HydrophobicContact CG1-CB 3.77Å; I356-L371 HydrophobicContact CG1-CD1 4.2Å; I356-L371 HydrophobicContact CG2-CD1 4.29Å; I356-K372 HydrophobicContact CD1-CG 3.8Å
357	E	92.2	Very high	89.4	Confident	94 Å²	94	62.6 Å²	62.6	44%	0.439	36%	0.361	S	S	.	.	H	α-helix	trans	-65.3	-49.4	178	-171.2	167.6	-176.8	0	0	111.3	H353 D354 I359 S360 Q361	H353-E357 IonicContact CE1-OE2 3.15Å; H353-E357 PolarHBondContact CE1-OE2 3.18Å; H353-E357 IonicContact ND1-OE2 2.75Å; H353-E357 PolarHBondContact ND1-OE2 3.36Å; H353-E357 VanDerWaalsContact ND1-OE2 3.16Å; H353-E357 PolarHBondContact O-N 3.12Å; D354-E357 PolarHBondContact O-N 2.68Å; E357-I359 PolarHBondContact O-N 3.42Å; E357-S360 WeakPolarHBondContact CA-OG 3.22Å; E357-S360 PolarHBondContact O-N 2.88Å; E357-S360 VanDerWaalsContact O-N 3.12Å; E357-S360 PolarHBondContact O-OG 3.15Å; E357-Q361 PolarHBondContact O-N 2.97Å
358	Q	89.1	Confident	89.6	Confident	48 Å²	48	65.2 Å²	65.2	22%	0.224	36%	0.364	C	S	.	.	H	α-helix	trans	-54.7	-48.7	174.2	-176.4	-166.8	-40.9	0	0	111.7	M350 D354 S360 Q361 V649	M350-Q358 PolarHBondContact SD-OE1 2.79Å; M350-Q358 VanDerWaalsContact SD-OE1 3.37Å; D354-Q358 VanDerWaalsContact O-CB 3.26Å; D354-Q358 WeakPolarHBondContact O-CB 3.22Å; D354-Q358 PolarHBondContact O-N 3.01Å; Q358-S360 VanDerWaalsContact C-N 3.33Å; Q358-S360 PolarHBondContact O-N 3.24Å; Q358-Q361 PolarHBondContact O-N 3.02Å; Q358-V649 HydrophobicContact CG-CG1 4.44Å
359	I	90.3	Very high	89.6	Confident	7 Å²	7	63.4 Å²	63.4	4%	0.036	35%	0.35	C	S	.	.	H	α-helix	trans	-68.4	-32.3	179	-73.2	177.4	0	0	0	111.8	L330 A333 F355 E357 Q361 S362 Y366 L371	L330-I359 HydrophobicContact CD1-CD1 4.23Å; A333-I359 HydrophobicContact CB-CD1 3.74Å; A333-I359 HydrophobicContact CB-CG1 3.86Å; F355-I359 HydrophobicContact CD1-CD1 4.39Å; F355-I359 HydrophobicContact CD2-CD1 4.1Å; F355-I359 HydrophobicContact CE1-CD1 3.82Å; F355-I359 HydrophobicContact CE2-CD1 3.48Å; F355-I359 VanDerWaalsContact CE2-CD1 3.48Å; F355-I359 HydrophobicContact CE2-CG1 4.41Å; F355-I359 HydrophobicContact CZ-CD1 3.32Å; F355-I359 WeakPolarHBondContact O-CB 3.32Å; F355-I359 WeakPolarHBondContact O-CG1 3.41Å; F355-I359 PolarHBondContact O-N 3.26Å; E357-I359 PolarHBondContact O-N 3.42Å; I359-Q361 PolarHBondContact O-N 3.16Å; I359-Q361 VanDerWaalsContact O-N 3.15Å; I359-S362 WeakPolarHBondContact O-CB 3.34Å; I359-S362 PolarHBondContact O-N 3.35Å; I359-S362 PolarHBondContact O-OG 3.05Å; I359-Y366 HydrophobicContact CG2-CD2 3.3Å; I359-Y366 HydrophobicContact CG2-CE2 3.65Å; I359-Y366 HydrophobicContact CG2-CG 4.25Å; I359-L371 HydrophobicContact CB-CD1 4.1Å; I359-L371 HydrophobicContact CD1-CD2 3.87Å; I359-L371 HydrophobicContact CG2-CD1 3.72Å; I359-L371 HydrophobicContact CG2-CD2 4.09Å
360	S	85.2	Confident	89.5	Confident	79 Å²	79	60 Å²	60	55%	0.552	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-7.6	178.5	70.6	0	0	0	0	114.9	I356 E357 Q358	I356-S360 VanDerWaalsContact O-CB 3.31Å; I356-S360 WeakPolarHBondContact O-CB 3.33Å; I356-S360 PolarHBondContact O-N 3.4Å; I356-S360 PolarHBondContact O-OG 2.79Å; E357-S360 WeakPolarHBondContact CA-OG 3.22Å; E357-S360 PolarHBondContact O-N 2.88Å; E357-S360 VanDerWaalsContact O-N 3.12Å; E357-S360 PolarHBondContact O-OG 3.15Å; Q358-S360 VanDerWaalsContact C-N 3.33Å; Q358-S360 PolarHBondContact O-N 3.24Å
361	Q	79.8	Confident	89.7	Confident	148 Å²	148	59.2 Å²	59.2	69%	0.692	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.4	171	-61.8	171.5	14.5	0	0	112.9	E357 Q358 I359	E357-Q361 PolarHBondContact O-N 2.97Å; Q358-Q361 PolarHBondContact O-N 3.02Å; I359-Q361 PolarHBondContact O-N 3.16Å; I359-Q361 VanDerWaalsContact O-N 3.15Å
362	S	77.7	Confident	89.6	Confident	38 Å²	38	61.3 Å²	61.3	27%	0.266	34%	0.336	S	S	.	.	S	Bend	trans	-78.1	165.4	174.7	73.9	0	0	0	0	112.3	I359 H364	I359-S362 WeakPolarHBondContact O-CB 3.34Å; I359-S362 PolarHBondContact O-N 3.35Å; I359-S362 PolarHBondContact O-OG 3.05Å; S362-H364 PolarHBondContact O-N 3.35Å
363	A	80.7	Confident	89.4	Confident	97 Å²	97	62.9 Å²	62.9	80%	0.802	34%	0.342	S	S	*	.	S	Bend	trans	-68.3	-11.4	179.7	0	0	0	0	0	114.6
364	H	83.8	Confident	89.4	Confident	33 Å²	33	57.9 Å²	57.9	15%	0.153	32%	0.318	C	S	.	.	S	Bend	trans	-109.5	138.9	-170.7	-55.3	-86.1	0	0	0	112.7	D323 E326 H329 S362 Y366	D323-H364 IonicContact OD1-CE1 3.13Å; D323-H364 IonicContact OD2-CE1 3.9Å; E326-H364 WeakPolarHBondContact CB-ND1 3.29Å; E326-H364 HydrophobicContact CG-CB 3.83Å; H329-H364 AromaticContact CE1-CD2 3.71Å; H329-H364 AromaticContact CE1-NE2 3.22Å; H329-H364 PolarHBondContact CE1-NE2 3Å; H329-H364 AromaticContact CG-CD2 3.84Å; H329-H364 AromaticContact CG-NE2 3.97Å; H329-H364 AromaticContact ND1-CD2 3.51Å; H329-H364 AromaticContact ND1-NE2 3.16Å; H329-H364 PolarHBondContact ND1-NE2 3.25Å; H329-H364 VanDerWaalsContact ND1-NE2 3.16Å; S362-H364 PolarHBondContact O-N 3.35Å; H364-Y366 HydrophobicContact CB-CD2 4.44Å; H364-Y366 HydrophobicContact CB-CE1 4.45Å; H364-Y366 HydrophobicContact CB-CE2 3.72Å; H364-Y366 WeakPolarHBondContact O-CD2 3.26Å; H364-Y366 PolarHBondContact O-N 3.27Å
365	S	86.4	Confident	89.5	Confident	122 Å²	122	55 Å²	55	85%	0.853	30%	0.302	S	S	*	.			trans	-99.7	68.7	-168.8	54.7	0	0	0	0	114.3
366	Y	90.3	Very high	89.6	Confident	24 Å²	24	60.2 Å²	60.2	9%	0.094	33%	0.327	C	S	.	.			trans	-65.3	141.3	178	-48.5	-83.3	0	0	0	113.4	F321 E326 H329 L330 I359 H364 R368 L371	F321-Y366 HydrophobicContact CD1-CE1 4.36Å; F321-Y366 HydrophobicContact CE1-CD1 4.25Å; F321-Y366 HydrophobicContact CE1-CE1 4.19Å; E326-Y366 HydrophobicContact CG-CE1 3.61Å; E326-Y366 PolarHBondContact O-OH 3.04Å; H329-Y366 WeakPolarHBondContact CB-OH 3.31Å; L330-Y366 HydrophobicContact CB-CE1 3.81Å; L330-Y366 HydrophobicContact CD1-CD1 4.44Å; L330-Y366 HydrophobicContact CD1-CE1 4.32Å; L330-Y366 HydrophobicContact CD2-CD1 4.03Å; L330-Y366 HydrophobicContact CD2-CE1 3.86Å; L330-Y366 HydrophobicContact CG-CE1 4.21Å; I359-Y366 HydrophobicContact CG2-CD2 3.3Å; I359-Y366 HydrophobicContact CG2-CE2 3.65Å; I359-Y366 HydrophobicContact CG2-CG 4.25Å; H364-Y366 HydrophobicContact CB-CD2 4.44Å; H364-Y366 HydrophobicContact CB-CE1 4.45Å; H364-Y366 HydrophobicContact CB-CE2 3.72Å; H364-Y366 WeakPolarHBondContact O-CD2 3.26Å; H364-Y366 PolarHBondContact O-N 3.27Å; Y366-R368 PolarHBondContact O-N 3.41Å; Y366-L371 HydrophobicContact CG-CD2 4.2Å
367	S	88.5	Confident	89.5	Confident	67 Å²	67	60.9 Å²	60.9	47%	0.469	33%	0.331	S	S	.	.			trans	-66.6	131.4	174.9	78.5	0	0	0	0	111.7	D369 L370 L371	S367-D369 PolarHBondContact O-N 3.08Å; S367-L370 WeakPolarHBondContact O-CB 3.25Å; S367-L370 PolarHBondContact O-N 3.4Å; S367-L370 VanDerWaalsContact OG-CB 3.31Å; S367-L370 WeakPolarHBondContact OG-CB 3.16Å; S367-L370 PolarHBondContact OG-N 3.02Å; S367-L371 PolarHBondContact O-N 3.48Å
368	R	91	Very high	89.6	Confident	141 Å²	141	56.4 Å²	56.4	53%	0.532	31%	0.311	S	S	.	.	H	α-helix	trans	-54.2	-30.8	-177.5	-67	-178.9	73.6	100.2	-2.4	113.2	I356 Y366 K372	I356-R368 HydrophobicContact CG2-CG 4.27Å; Y366-R368 PolarHBondContact O-N 3.41Å; R368-K372 WeakPolarHBondContact O-CG 3.49Å; R368-K372 PolarHBondContact O-N 2.89Å
369	D	89.3	Confident	89.9	Confident	49 Å²	49	59.8 Å²	59.8	26%	0.262	33%	0.325	S	S	.	.	H	α-helix	trans	-80.6	-30	179.4	-64.6	-28	0	0	0	113.8	S367 L371 K372 M373 K422	S367-D369 PolarHBondContact O-N 3.08Å; D369-L371 VanDerWaalsContact C-N 3.33Å; D369-K372 PolarHBondContact O-N 3.48Å; D369-K372 WeakPolarHBondContact OD1-CD 3.34Å; D369-K372 WeakPolarHBondContact OD1-CE 3.39Å; D369-K372 IonicContact OD1-NZ 3.89Å; D369-K372 PolarHBondContact OD1-NZ 2.81Å; D369-M373 WeakPolarHBondContact O-CB 3.17Å; D369-M373 WeakPolarHBondContact O-CG 2.91Å; D369-M373 PolarHBondContact O-N 3.1Å; D369-K422 IonicContact OD2-NZ 3.36Å; D369-K422 PolarHBondContact OD2-NZ 3.05Å
370	L	92.1	Very high	90	Very high	33 Å²	33	64.3 Å²	64.3	17%	0.173	36%	0.357	C	S	.	.	H	α-helix	trans	-60.8	-48.1	167.4	174.9	61.8	0	0	0	109.2	R280 F321 S367 K372 M373 L374	R280-L370 HydrophobicContact CG-CD1 4.3Å; F321-L370 HydrophobicContact CE1-CD2 4.4Å; F321-L370 HydrophobicContact CZ-CD2 4.3Å; S367-L370 WeakPolarHBondContact O-CB 3.25Å; S367-L370 PolarHBondContact O-N 3.4Å; S367-L370 VanDerWaalsContact OG-CB 3.31Å; S367-L370 WeakPolarHBondContact OG-CB 3.16Å; S367-L370 PolarHBondContact OG-N 3.02Å; L370-K372 PolarHBondContact O-N 3.15Å; L370-M373 PolarHBondContact O-N 3.43Å; L370-M373 VanDerWaalsContact O-N 3.16Å; L370-L374 HydrophobicContact CD1-CD1 3.89Å; L370-L374 HydrophobicContact CD1-CD2 4.46Å; L370-L374 HydrophobicContact CD1-CG 3.98Å; L370-L374 HydrophobicContact CG-CD1 3.78Å; L370-L374 HydrophobicContact CG-CG 4.31Å; L370-L374 WeakPolarHBondContact O-CB 3.36Å; L370-L374 VanDerWaalsContact O-CG 3.25Å; L370-L374 WeakPolarHBondContact O-CG 3.42Å; L370-L374 PolarHBondContact O-N 2.9Å
371	L	95	Very high	90.2	Very high	5 Å²	5	62.7 Å²	62.7	3%	0.026	35%	0.346	C	S	.	.	H	α-helix	trans	-60.8	-42.5	177.4	-59.8	-175.7	0	0	0	112.4	L330 F355 I356 I359 Y366 S367 D369 L374 Y375	L330-L371 HydrophobicContact CD1-CD2 3.93Å; F355-L371 HydrophobicContact CE1-CB 4.27Å; F355-L371 HydrophobicContact CE1-CD2 4.47Å; I356-L371 HydrophobicContact CB-CD1 4.47Å; I356-L371 HydrophobicContact CD1-CB 4.37Å; I356-L371 HydrophobicContact CG1-CB 3.77Å; I356-L371 HydrophobicContact CG1-CD1 4.2Å; I356-L371 HydrophobicContact CG2-CD1 4.29Å; I359-L371 HydrophobicContact CB-CD1 4.1Å; I359-L371 HydrophobicContact CD1-CD2 3.87Å; I359-L371 HydrophobicContact CG2-CD1 3.72Å; I359-L371 HydrophobicContact CG2-CD2 4.09Å; Y366-L371 HydrophobicContact CG-CD2 4.2Å; S367-L371 PolarHBondContact O-N 3.48Å; D369-L371 VanDerWaalsContact C-N 3.33Å; L371-L374 PolarHBondContact O-N 2.98Å; L371-Y375 WeakPolarHBondContact O-CB 3.22Å; L371-Y375 PolarHBondContact O-N 3.3Å
372	K	94.4	Very high	90.7	Very high	89 Å²	89	56.4 Å²	56.4	39%	0.387	32%	0.318	S	S	.	.	H	α-helix	trans	-57	-49.5	171.1	-71.9	171.3	-161.4	162.3	0	111.9	I356 R368 D369 L370 Y375 H376	I356-K372 HydrophobicContact CD1-CG 3.8Å; R368-K372 WeakPolarHBondContact O-CG 3.49Å; R368-K372 PolarHBondContact O-N 2.89Å; D369-K372 PolarHBondContact O-N 3.48Å; D369-K372 WeakPolarHBondContact OD1-CD 3.34Å; D369-K372 WeakPolarHBondContact OD1-CE 3.39Å; D369-K372 IonicContact OD1-NZ 3.89Å; D369-K372 PolarHBondContact OD1-NZ 2.81Å; L370-K372 PolarHBondContact O-N 3.15Å; K372-Y375 PolarHBondContact O-N 2.81Å; K372-H376 PolarHBondContact O-N 3.41Å; K372-H376 PolarHBondContact O-ND1 3.36Å
373	M	92.6	Very high	91.1	Very high	61 Å²	61	54.6 Å²	54.6	30%	0.3	31%	0.305	S	S	.	.	H	α-helix	trans	-62.8	-43.3	-178.5	-75.1	-170.2	-65.1	0	0	111.8	D369 L370 H376 S377	D369-M373 WeakPolarHBondContact O-CB 3.17Å; D369-M373 WeakPolarHBondContact O-CG 2.91Å; D369-M373 PolarHBondContact O-N 3.1Å; L370-M373 PolarHBondContact O-N 3.43Å; L370-M373 VanDerWaalsContact O-N 3.16Å; M373-H376 PolarHBondContact O-N 2.87Å; M373-S377 WeakPolarHBondContact O-CB 3.37Å; M373-S377 PolarHBondContact O-N 3.19Å
374	L	95.6	Very high	90.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-47.2	176.3	-67.1	170.2	0	0	0	111.3	R280 V281 D282 L330 L334 L370 L371 H376 S377 V378	R280-L374 HydrophobicContact CG-CD2 4.15Å; V281-L374 HydrophobicContact CG1-CD1 4.15Å; V281-L374 HydrophobicContact CG1-CD2 3.76Å; D282-L374 HydrophobicContact CB-CD2 3.71Å; D282-L374 VanDerWaalsContact OD1-CD2 3.31Å; D282-L374 WeakPolarHBondContact OD1-CD2 3.43Å; L330-L374 HydrophobicContact CD1-CD1 4.05Å; L330-L374 HydrophobicContact CD2-CD1 4.06Å; L330-L374 HydrophobicContact CG-CD1 4.4Å; L334-L374 HydrophobicContact CD1-CD1 4.32Å; L334-L374 HydrophobicContact CD1-CD2 4.37Å; L334-L374 HydrophobicContact CD2-CB 3.81Å; L334-L374 HydrophobicContact CD2-CD1 4.4Å; L370-L374 HydrophobicContact CD1-CD1 3.89Å; L370-L374 HydrophobicContact CD1-CD2 4.46Å; L370-L374 HydrophobicContact CD1-CG 3.98Å; L370-L374 HydrophobicContact CG-CD1 3.78Å; L370-L374 HydrophobicContact CG-CG 4.31Å; L370-L374 WeakPolarHBondContact O-CB 3.36Å; L370-L374 VanDerWaalsContact O-CG 3.25Å; L370-L374 WeakPolarHBondContact O-CG 3.42Å; L370-L374 PolarHBondContact O-N 2.9Å; L371-L374 PolarHBondContact O-N 2.98Å; L374-H376 VanDerWaalsContact C-N 3.34Å; L374-H376 PolarHBondContact O-N 2.67Å; L374-S377 WeakPolarHBondContact O-CB 3.21Å; L374-S377 PolarHBondContact O-N 3.19Å; L374-V378 WeakPolarHBondContact O-CG2 3.28Å; L374-V378 PolarHBondContact O-N 3.08Å
375	Y	96.9	Very high	89.9	Confident	12 Å²	12	54.4 Å²	54.4	5%	0.047	29%	0.291	C	S	.	.	H	α-helix	trans	-57.4	-45.1	175.4	174.1	-83.1	0	0	0	112.1	L337 L341 M350 S351 C352 F355 L371 K372 S377 V378 K379	L337-Y375 HydrophobicContact CD1-CD2 3.73Å; L337-Y375 HydrophobicContact CD1-CE2 3.81Å; L337-Y375 HydrophobicContact CD2-CD2 3.77Å; L337-Y375 HydrophobicContact CD2-CG 4.35Å; L337-Y375 HydrophobicContact CG-CD2 4.4Å; L341-Y375 HydrophobicContact CD1-CE2 4.42Å; M350-Y375 WeakPolarHBondContact O-CE2 3.44Å; M350-Y375 PolarHBondContact O-OH 2.85Å; M350-Y375 VanDerWaalsContact O-OH 3.08Å; S351-Y375 VanDerWaalsContact C-CE2 3.44Å; C352-Y375 HydrophobicContact CB-CD1 3.62Å; C352-Y375 HydrophobicContact CB-CD2 4.36Å; C352-Y375 HydrophobicContact CB-CE1 3.54Å; C352-Y375 HydrophobicContact CB-CE2 4.29Å; C352-Y375 HydrophobicContact CB-CG 4.04Å; C352-Y375 VanDerWaalsContact N-CZ 3.3Å; C352-Y375 PolarHBondContact N-OH 3.24Å; F355-Y375 HydrophobicContact CB-CD2 3.95Å; F355-Y375 HydrophobicContact CB-CE2 4.47Å; F355-Y375 HydrophobicContact CD1-CD2 4.08Å; F355-Y375 HydrophobicContact CD1-CG 4.41Å; F355-Y375 HydrophobicContact CG-CD2 4.07Å; L371-Y375 WeakPolarHBondContact O-CB 3.22Å; L371-Y375 PolarHBondContact O-N 3.3Å; K372-Y375 PolarHBondContact O-N 2.81Å; Y375-S377 VanDerWaalsContact C-N 3.34Å; Y375-S377 PolarHBondContact O-N 2.92Å; Y375-V378 PolarHBondContact O-N 3.06Å; Y375-K379 HydrophobicContact CE1-CB 4.38Å; Y375-K379 HydrophobicContact CE1-CD 3.86Å; Y375-K379 WeakPolarHBondContact O-CB 3.4Å; Y375-K379 PolarHBondContact O-N 2.69Å
376	H	95.5	Very high	88.2	Confident	111 Å²	111	52.1 Å²	52.1	51%	0.514	27%	0.266	S	S	.	.	H	α-helix	trans	-70.2	-30.9	-179.9	-73.6	74.8	0	0	0	112.6	K372 M373 L374 S380	K372-H376 PolarHBondContact O-N 3.41Å; K372-H376 PolarHBondContact O-ND1 3.36Å; M373-H376 PolarHBondContact O-N 2.87Å; L374-H376 VanDerWaalsContact C-N 3.34Å; L374-H376 PolarHBondContact O-N 2.67Å; H376-S380 WeakPolarHBondContact O-CB 3.32Å; H376-S380 PolarHBondContact O-N 2.78Å; H376-S380 PolarHBondContact O-OG 2.71Å
377	S	94	Very high	85.6	Confident	20 Å²	20	53.6 Å²	53.6	14%	0.14	28%	0.281	C	S	.	.	H	α-helix	trans	-65.9	-52.9	170.7	175.3	0	0	0	0	111.3	D282 R286 M373 L374 Y375 K379 S380 S381	D282-S377 WeakPolarHBondContact OD2-CB 3.49Å; D282-S377 PolarHBondContact OD2-OG 3.47Å; R286-S377 PolarHBondContact NH2-O 3.22Å; R286-S377 PolarHBondContact NH2-OG 2.95Å; M373-S377 WeakPolarHBondContact O-CB 3.37Å; M373-S377 PolarHBondContact O-N 3.19Å; L374-S377 WeakPolarHBondContact O-CB 3.21Å; L374-S377 PolarHBondContact O-N 3.19Å; Y375-S377 VanDerWaalsContact C-N 3.34Å; Y375-S377 PolarHBondContact O-N 2.92Å; S377-K379 VanDerWaalsContact C-N 3.3Å; S377-K379 PolarHBondContact O-N 3.18Å; S377-S380 PolarHBondContact O-N 2.71Å; S377-S380 PolarHBondContact O-OG 2.92Å; S377-S380 VanDerWaalsContact O-OG 3.07Å; S377-S381 PolarHBondContact O-N 2.55Å; S377-S381 VanDerWaalsContact O-N 3.15Å
378	V	94	Very high	83.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-40.7	178.3	178.9	0	0	0	0	110.3	L334 L337 D338 L341 H342 L374 Y375 S380 S381 L383	L334-V378 HydrophobicContact CD2-CG2 4.05Å; L337-V378 HydrophobicContact CD2-CB 3.92Å; L337-V378 HydrophobicContact CD2-CG1 4.04Å; L337-V378 HydrophobicContact CD2-CG2 4.31Å; L337-V378 HydrophobicContact CG-CB 4.49Å; L337-V378 HydrophobicContact CG-CG1 4.07Å; D338-V378 HydrophobicContact CB-CG1 3.79Å; L341-V378 HydrophobicContact CD1-CG1 4.35Å; H342-V378 PolarHBondContact NE2-O 2.85Å; L374-V378 WeakPolarHBondContact O-CG2 3.28Å; L374-V378 PolarHBondContact O-N 3.08Å; Y375-V378 PolarHBondContact O-N 3.06Å; V378-S380 PolarHBondContact O-N 2.69Å; V378-S381 CarbonylContact O-C 3.33Å; V378-S381 PolarHBondContact O-N 2.8Å; V378-L383 HydrophobicContact CG1-CG 4.48Å; V378-L383 HydrophobicContact CG2-CD1 4.23Å; V378-L383 HydrophobicContact CG2-CD2 3.92Å; V378-L383 HydrophobicContact CG2-CG 4Å
379	K	94.5	Very high	80.5	Confident	120 Å²	120	56.5 Å²	56.5	52%	0.522	31%	0.306	S	S	.	.	H	α-helix	trans	-65.8	-34.5	177.3	-175.5	165.7	179.6	167.9	0	114	L341 Y375 S377	L341-K379 HydrophobicContact CD1-CB 3.76Å; L341-K379 HydrophobicContact CD1-CG 4.25Å; Y375-K379 HydrophobicContact CE1-CB 4.38Å; Y375-K379 HydrophobicContact CE1-CD 3.86Å; Y375-K379 WeakPolarHBondContact O-CB 3.4Å; Y375-K379 PolarHBondContact O-N 2.69Å; S377-K379 VanDerWaalsContact C-N 3.3Å; S377-K379 PolarHBondContact O-N 3.18Å
380	S	92.2	Very high	77.9	Confident	101 Å²	101	63.2 Å²	63.2	71%	0.706	33%	0.333	S	S	*	.	H	α-helix	trans	-80.6	-22.6	-179.7	67.9	0	0	0	0	113.7	H376 S377 V378	H376-S380 WeakPolarHBondContact O-CB 3.32Å; H376-S380 PolarHBondContact O-N 2.78Å; H376-S380 PolarHBondContact O-OG 2.71Å; S377-S380 PolarHBondContact O-N 2.71Å; S377-S380 PolarHBondContact O-OG 2.92Å; S377-S380 VanDerWaalsContact O-OG 3.07Å; V378-S380 PolarHBondContact O-N 2.69Å
381	S	89.4	Confident	75.1	Confident	46 Å²	46	72.9 Å²	72.9	32%	0.322	37%	0.368	S	S	.	.	S	Bend	trans	-160.2	131.9	178.1	178.6	0	0	0	0	110	R286 S377 V378	R286-S381 VanDerWaalsContact CZ-O 3.25Å; R286-S381 PolarHBondContact NH1-O 3.31Å; R286-S381 PolarHBondContact NH1-OG 3.35Å; R286-S381 PolarHBondContact NH2-O 3.46Å; S377-S381 PolarHBondContact O-N 2.55Å; S377-S381 VanDerWaalsContact O-N 3.15Å; V378-S381 CarbonylContact O-C 3.33Å; V378-S381 PolarHBondContact O-N 2.8Å
382	S	90.3	Very high	72.1	Confident	15 Å²	15	78.6 Å²	78.6	11%	0.105	41%	0.408	C	S	.	.			trans	-60.8	143.8	177.8	177.8	0	0	0	0	113.1	R286 D338 R384	R286-S382 VanDerWaalsContact NH1-C 3.32Å; R286-S382 PolarHBondContact NH1-O 3.3Å; D338-S382 VanDerWaalsContact CG-OG 3.29Å; D338-S382 WeakPolarHBondContact OD1-CA 3.42Å; D338-S382 VanDerWaalsContact OD1-CB 3.29Å; D338-S382 WeakPolarHBondContact OD1-CB 3.42Å; D338-S382 PolarHBondContact OD1-OG 3.15Å; D338-S382 PolarHBondContact OD2-OG 3.25Å; S382-R384 VanDerWaalsContact C-N 3.25Å; S382-R384 PolarHBondContact O-N 2.89Å; S382-R384 PolarHBondContact OG-N 3.43Å; S382-R384 VanDerWaalsContact OG-N 3.16Å; S382-R384 PolarHBondContact OG-O 2.87Å
383	L	86.4	Confident	69.4	Low	0 Å²	0	80.3 Å²	80.3	0%	0	42%	0.417	C	S	.	.	S	Bend	trans	-60	-38.7	170.9	-62.2	174.8	0	0	0	111.4	D282 L285 R286 L289 L334 L335 D338 V378 L385	D282-L383 HydrophobicContact CB-CD2 4.17Å; L285-L383 HydrophobicContact CD2-CD1 3.99Å; R286-L383 HydrophobicContact CG-CD2 3.95Å; L289-L383 HydrophobicContact CD1-CB 4.15Å; L334-L383 HydrophobicContact CB-CD1 4.04Å; L334-L383 WeakPolarHBondContact O-CD1 3.44Å; L335-L383 HydrophobicContact CD2-CD1 4.33Å; D338-L383 HydrophobicContact CB-CB 4.28Å; D338-L383 HydrophobicContact CB-CD1 3.76Å; D338-L383 HydrophobicContact CB-CG 4.01Å; D338-L383 PolarHBondContact OD1-N 3.46Å; V378-L383 HydrophobicContact CG1-CG 4.48Å; V378-L383 HydrophobicContact CG2-CD1 4.23Å; V378-L383 HydrophobicContact CG2-CD2 3.92Å; V378-L383 HydrophobicContact CG2-CG 4Å; L383-L385 PolarHBondContact O-N 3.37Å
384	R	77	Confident	66.6	Low	5 Å²	5	86.5 Å²	86.5	2%	0.019	44%	0.442	C	S	.	.	S	Bend	trans	-90.2	81.4	177.7	-61.3	166.7	178	96.4	-15.7	108.5	L289 F293 W299 L335 D338 F343 S382 H386	L289-R384 HydrophobicContact CD1-CG 4.06Å; F293-R384 HydrophobicContact CD2-CG 4.4Å; F293-R384 HydrophobicContact CE2-CG 4.4Å; W299-R384 VanDerWaalsContact O-CZ 3.26Å; W299-R384 PolarHBondContact O-NE 2.84Å; W299-R384 PolarHBondContact O-NH2 3Å; L335-R384 PolarHBondContact O-NH1 2.83Å; L335-R384 VanDerWaalsContact O-NH1 3.1Å; D338-R384 WeakPolarHBondContact OD2-CG 3.5Å; D338-R384 IonicContact OD2-CZ 3.45Å; D338-R384 IonicContact OD2-NH1 3.76Å; D338-R384 PolarHBondContact OD2-NH1 2.99Å; F343-R384 HydrophobicContact CE2-CB 4.45Å; F343-R384 HydrophobicContact CZ-CB 4.15Å; S382-R384 VanDerWaalsContact C-N 3.25Å; S382-R384 PolarHBondContact O-N 2.89Å; S382-R384 PolarHBondContact OG-N 3.43Å; S382-R384 VanDerWaalsContact OG-N 3.16Å; S382-R384 PolarHBondContact OG-O 2.87Å; R384-H386 VanDerWaalsContact C-N 3.31Å; R384-H386 PolarHBondContact O-N 2.67Å; R384-H386 PolarHBondContact O-ND1 2.66Å
385	L	62.6	Low	63.9	Low	121 Å²	121	93.2 Å²	93.2	63%	0.634	48%	0.483	S	S	*	.			trans	-64.3	82.2	-172.2	-167.8	77.9	0	0	0	113.3	L383 S387	L383-L385 PolarHBondContact O-N 3.37Å; L385-S387 PolarHBondContact O-N 3.1Å
386	H	50	Low	61.3	Low	74 Å²	74	97.4 Å²	97.4	34%	0.343	51%	0.506	S	S	.	.			trans	-68.3	121.5	165.5	-70.4	66	0	0	0	107.7	F343 R384 D388	F343-H386 AromaticContact CE1-CE1 3.55Å; F343-H386 AromaticContact CE1-ND1 3.82Å; F343-H386 AromaticContact CZ-CE1 3.67Å; F343-H386 AromaticContact CZ-ND1 3.68Å; R384-H386 VanDerWaalsContact C-N 3.31Å; R384-H386 PolarHBondContact O-N 2.67Å; R384-H386 PolarHBondContact O-ND1 2.66Å; H386-D388 VanDerWaalsContact C-N 3.31Å; H386-D388 PolarHBondContact O-N 2.8Å
387	S	35.7	Very low	58.7	Low	56 Å²	56	95.7 Å²	95.7	39%	0.392	51%	0.505	S	S	.	.			trans	-73.1	90.3	173	61.1	0	0	0	0	108.8	L385 T389 R401	L385-S387 PolarHBondContact O-N 3.1Å; S387-T389 PolarHBondContact O-N 3.12Å; S387-T389 PolarHBondContact O-OG1 3.35Å; S387-R401 PolarHBondContact OG-NH1 3.11Å
388	D	36.4	Very low	56.7	Low	129 Å²	129	97.8 Å²	97.8	69%	0.69	52%	0.52	S	S	*	.			trans	-53.3	107	-176.9	-174.6	6.9	0	0	0	110.7	H386 K390	H386-D388 VanDerWaalsContact C-N 3.31Å; H386-D388 PolarHBondContact O-N 2.8Å; D388-K390 PolarHBondContact O-N 3.1Å
389	T	36.5	Very low	54.6	Low	139 Å²	139	101.4 Å²	101.4	85%	0.853	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	20.6	-155.9	-26.3	0	0	0	0	114.1	S387	S387-T389 PolarHBondContact O-N 3.12Å; S387-T389 PolarHBondContact O-OG1 3.35Å
390	K	35.8	Very low	52.5	Low	190 Å²	190	98.9 Å²	98.9	83%	0.826	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-3.9	-170.6	-66.1	-178.4	-180	174.7	0	114.7	D388	D388-K390 PolarHBondContact O-N 3.1Å
391	R	33.1	Very low	50.7	Low	237 Å²	237	98.8 Å²	98.8	89%	0.894	52%	0.521	S	S	*	.	S	Bend	trans	-132.7	92.9	170.9	-90.2	-174	167.9	179.9	-2.7	114.4
392	S	32.3	Very low	49	Very low	124 Å²	124	97.5 Å²	97.5	87%	0.867	51%	0.511	S	S	*	.	S	Bend	trans	67.1	41.2	148	-161.1	0	0	0	0	119.7
393	E	36.6	Very low	47.1	Very low	125 Å²	125	100.1 Å²	100.1	58%	0.584	53%	0.526	S	S	*	.			trans	-122.3	91.3	152.8	-82.9	-167.6	-175.5	0	0	111.4	R401	E393-R401 IonicContact OE2-CZ 2.7Å; E393-R401 VanDerWaalsContact OE2-CZ 3.28Å; E393-R401 IonicContact OE2-NE 2.87Å; E393-R401 PolarHBondContact OE2-NE 3.2Å; E393-R401 VanDerWaalsContact OE2-NE 3.1Å; E393-R401 IonicContact OE2-NH2 3.2Å; E393-R401 PolarHBondContact OE2-NH2 3.43Å
394	K	33.7	Very low	45.5	Very low	192 Å²	192	104.6 Å²	104.6	84%	0.835	55%	0.549	S	S	*	.			trans	-100.2	150.9	150.6	-68	-177.4	178	-179.5	0	107.2
395	T	39.2	Very low	44.3	Very low	140 Å²	140	105.8 Å²	105.8	86%	0.859	56%	0.556	S	S	*	*	S	Bend	trans	74.1	41.5	170.8	81.3	0	0	0	0	120
396	L	42.3	Very low	43.7	Very low	101 Å²	101	102.2 Å²	102.2	53%	0.529	54%	0.538	S	S	.	.			trans	-133.2	141.5	150.2	-81.1	98.6	0	0	0	111.5	D400	L396-D400 HydrophobicContact CD2-CB 4.07Å
397	P	42	Very low	43.7	Very low	74 Å²	74	104.4 Å²	104.4	48%	0.481	55%	0.548	S	S	.	.			trans	-77.4	158	174.7	33.8	-35.5	0	0	0	112	S399 D400	P397-S399 PolarHBondContact O-N 2.82Å; P397-D400 VanDerWaalsContact CD-OD2 3.3Å; P397-D400 WeakPolarHBondContact CD-OD2 3.32Å; P397-D400 HydrophobicContact CG-CB 4.36Å; P397-D400 WeakPolarHBondContact CG-OD2 3.47Å; P397-D400 PolarHBondContact O-N 3.14Å; P397-D400 VanDerWaalsContact O-N 3.11Å
398	S	50.1	Low	44.1	Very low	65 Å²	65	110.1 Å²	110.1	46%	0.455	56%	0.561	S	S	.	*	H	α-helix	trans	-59.1	-31.2	-178.5	50.2	0	0	0	0	113.8	D400 R401	S398-D400 VanDerWaalsContact C-N 3.29Å; S398-D400 PolarHBondContact O-N 3.25Å; S398-R401 PolarHBondContact O-N 2.97Å
399	S	50.7	Low	44.9	Very low	76 Å²	76	106 Å²	106	53%	0.531	54%	0.539	S	S	.	.	H	α-helix	trans	-55	-41.2	174.8	-164.5	0	0	0	0	112.9	P397 L402 T403	P397-S399 PolarHBondContact O-N 2.82Å; S399-L402 PolarHBondContact O-N 3.34Å; S399-T403 PolarHBondContact O-N 3.35Å
400	D	51.6	Low	45.8	Very low	66 Å²	66	106 Å²	106	35%	0.353	53%	0.529	S	S	.	.	H	α-helix	trans	-79.3	-24.5	-174.3	-68.1	-29.8	0	0	0	113.1	L396 P397 S398 L402 T403 L404	L396-D400 HydrophobicContact CD2-CB 4.07Å; P397-D400 VanDerWaalsContact CD-OD2 3.3Å; P397-D400 WeakPolarHBondContact CD-OD2 3.32Å; P397-D400 HydrophobicContact CG-CB 4.36Å; P397-D400 WeakPolarHBondContact CG-OD2 3.47Å; P397-D400 PolarHBondContact O-N 3.14Å; P397-D400 VanDerWaalsContact O-N 3.11Å; S398-D400 VanDerWaalsContact C-N 3.29Å; S398-D400 PolarHBondContact O-N 3.25Å; D400-L402 VanDerWaalsContact C-N 3.26Å; D400-L402 PolarHBondContact O-N 3.36Å; D400-T403 WeakPolarHBondContact CA-OG1 3.47Å; D400-T403 PolarHBondContact O-OG1 3.07Å; D400-L404 WeakPolarHBondContact O-CG 3.23Å; D400-L404 PolarHBondContact O-N 3.19Å; D400-L404 VanDerWaalsContact O-N 3.15Å
401	R	53.1	Low	47.2	Very low	99 Å²	99	100.7 Å²	100.7	37%	0.374	52%	0.521	S	S	.	.	H	α-helix	trans	-64.5	-34	170.9	-73.6	-177.2	170.8	178.8	-0.7	111.5	S387 E393 S398 L405	S387-R401 PolarHBondContact OG-NH1 3.11Å; E393-R401 IonicContact OE2-CZ 2.7Å; E393-R401 VanDerWaalsContact OE2-CZ 3.28Å; E393-R401 IonicContact OE2-NE 2.87Å; E393-R401 PolarHBondContact OE2-NE 3.2Å; E393-R401 VanDerWaalsContact OE2-NE 3.1Å; E393-R401 IonicContact OE2-NH2 3.2Å; E393-R401 PolarHBondContact OE2-NH2 3.43Å; S398-R401 PolarHBondContact O-N 2.97Å; R401-L405 WeakPolarHBondContact O-CG 3.4Å; R401-L405 PolarHBondContact O-N 2.03Å; R401-L405 VanDerWaalsContact O-N 3.15Å
402	L	54.2	Low	49	Very low	20 Å²	20	89.7 Å²	89.7	11%	0.105	48%	0.48	C	S	.	.	H	α-helix	trans	-88.2	-25.3	-177.5	-77.6	141.7	0	0	0	113	M244 Y291 S399 D400 L405 N406	M244-L402 HydrophobicContact CE-CD1 3.95Å; M244-L402 HydrophobicContact CG-CB 4.18Å; M244-L402 HydrophobicContact CG-CD1 3.97Å; M244-L402 HydrophobicContact CG-CD2 4.11Å; M244-L402 HydrophobicContact CG-CG 4.29Å; Y291-L402 HydrophobicContact CD1-CD2 4.17Å; Y291-L402 HydrophobicContact CE1-CD2 3.97Å; S399-L402 PolarHBondContact O-N 3.34Å; D400-L402 VanDerWaalsContact C-N 3.26Å; D400-L402 PolarHBondContact O-N 3.36Å; L402-L405 HydrophobicContact CD2-CD1 3.85Å; L402-L405 HydrophobicContact CG-CD1 4.22Å; L402-L405 PolarHBondContact O-N 3.01Å; L402-N406 PolarHBondContact O-N 3.32Å; L402-N406 PolarHBondContact O-ND2 3.34Å; L402-N406 VanDerWaalsContact O-ND2 3.13Å
403	T	49.4	Very low	51.1	Low	70 Å²	70	87.5 Å²	87.5	43%	0.429	46%	0.459	S	S	.	.	H	α-helix	trans	-67	-38.7	164.2	55.1	0	0	0	0	111.7	S399 D400 L405 N406 E407	S399-T403 PolarHBondContact O-N 3.35Å; D400-T403 WeakPolarHBondContact CA-OG1 3.47Å; D400-T403 PolarHBondContact O-OG1 3.07Å; T403-L405 VanDerWaalsContact C-N 3.34Å; T403-L405 PolarHBondContact O-N 2.91Å; T403-N406 CarbonylContact O-C 3.53Å; T403-N406 WeakPolarHBondContact O-CA 3.25Å; T403-N406 WeakPolarHBondContact O-CB 3.42Å; T403-N406 PolarHBondContact O-N 3.25Å; T403-N406 VanDerWaalsContact O-N 3.11Å; T403-E407 PolarHBondContact O-N 3.19Å
404	L	53	Low	53.1	Low	93 Å²	93	85.9 Å²	85.9	49%	0.487	46%	0.459	S	S	.	.	H	α-helix	trans	-63.9	-33.5	170.8	-75.4	168.9	0	0	0	113.3	D400 E407 R408	D400-L404 WeakPolarHBondContact O-CG 3.23Å; D400-L404 PolarHBondContact O-N 3.19Å; D400-L404 VanDerWaalsContact O-N 3.15Å; L404-E407 PolarHBondContact O-N 3.33Å; L404-R408 WeakPolarHBondContact O-CG 3.05Å; L404-R408 PolarHBondContact O-N 3.11Å; L404-R408 VanDerWaalsContact O-N 3.08Å
405	L	52.4	Low	55.4	Low	31 Å²	31	84.3 Å²	84.3	16%	0.162	46%	0.455	C	S	.	.	H	α-helix	trans	-69.8	-35.2	170.3	-72.8	164.2	0	0	0	111.9	L287 R401 L402 T403 R408 L409	L287-L405 HydrophobicContact CD1-CD2 4.46Å; R401-L405 WeakPolarHBondContact O-CG 3.4Å; R401-L405 PolarHBondContact O-N 2.03Å; R401-L405 VanDerWaalsContact O-N 3.15Å; L402-L405 HydrophobicContact CD2-CD1 3.85Å; L402-L405 HydrophobicContact CG-CD1 4.22Å; L402-L405 PolarHBondContact O-N 3.01Å; T403-L405 VanDerWaalsContact C-N 3.34Å; T403-L405 PolarHBondContact O-N 2.91Å; L405-R408 CarbonylContact O-C 3.58Å; L405-R408 WeakPolarHBondContact O-CA 3.41Å; L405-R408 WeakPolarHBondContact O-CB 3.03Å; L405-R408 PolarHBondContact O-N 3.33Å; L405-L409 PolarHBondContact O-N 2.82Å
406	N	49.2	Very low	57.6	Low	45 Å²	45	78.8 Å²	78.8	24%	0.241	42%	0.422	C	S	.	.	H	α-helix	trans	-67.2	-33.8	171.6	-76.9	-45.1	0	0	0	112.5	Y291 L402 T403 R408 L409	Y291-N406 PolarHBondContact OH-OD1 3.46Å; L402-N406 PolarHBondContact O-N 3.32Å; L402-N406 PolarHBondContact O-ND2 3.34Å; L402-N406 VanDerWaalsContact O-ND2 3.13Å; T403-N406 CarbonylContact O-C 3.53Å; T403-N406 WeakPolarHBondContact O-CA 3.25Å; T403-N406 WeakPolarHBondContact O-CB 3.42Å; T403-N406 PolarHBondContact O-N 3.25Å; T403-N406 VanDerWaalsContact O-N 3.11Å; N406-R408 VanDerWaalsContact C-N 3.32Å; N406-L409 HydrophobicContact CB-CD1 4.2Å; N406-L409 VanDerWaalsContact O-CB 3.29Å; N406-L409 WeakPolarHBondContact O-CB 3.42Å; N406-L409 WeakPolarHBondContact O-CG 3.39Å; N406-L409 PolarHBondContact O-N 3.12Å; N406-L409 VanDerWaalsContact OD1-CD1 3.28Å; N406-L409 WeakPolarHBondContact OD1-CD1 3.14Å
407	E	49.8	Very low	59.8	Low	121 Å²	121	75.5 Å²	75.5	57%	0.565	40%	0.404	S	S	*	.	H	α-helix	trans	-65.1	-36.7	169	-70	-163.6	145	0	0	112	T403 L404 L409 Q410	T403-E407 PolarHBondContact O-N 3.19Å; L404-E407 PolarHBondContact O-N 3.33Å; E407-L409 PolarHBondContact O-N 2.75Å; E407-Q410 WeakPolarHBondContact O-CB 3.49Å; E407-Q410 VanDerWaalsContact O-CG 3.28Å; E407-Q410 WeakPolarHBondContact O-CG 3.4Å; E407-Q410 PolarHBondContact O-N 2.84Å; E407-Q410 PolarHBondContact O-NE2 2.85Å
408	R	44.8	Very low	62.1	Low	175 Å²	175	72 Å²	72	66%	0.66	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-10.5	172.9	-77.8	174	162.1	178.1	-4.5	114.3	Y279 L404 L405 N406 Q410	Y279-R408 PolarHBondContact OH-O 3.02Å; L404-R408 WeakPolarHBondContact O-CG 3.05Å; L404-R408 PolarHBondContact O-N 3.11Å; L404-R408 VanDerWaalsContact O-N 3.08Å; L405-R408 CarbonylContact O-C 3.58Å; L405-R408 WeakPolarHBondContact O-CA 3.41Å; L405-R408 WeakPolarHBondContact O-CB 3.03Å; L405-R408 PolarHBondContact O-N 3.33Å; N406-R408 VanDerWaalsContact C-N 3.32Å; R408-Q410 PolarHBondContact O-N 3.08Å
409	L	52.3	Low	64.1	Low	44 Å²	44	71.4 Å²	71.4	23%	0.23	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-3.2	169.9	-60.6	168.5	0	0	0	113.9	Y242 L287 L405 N406 E407	Y242-L409 HydrophobicContact CE1-CD1 3.91Å; Y242-L409 WeakPolarHBondContact OH-CD1 3.47Å; Y242-L409 VanDerWaalsContact OH-CD2 3.28Å; Y242-L409 WeakPolarHBondContact OH-CD2 3.38Å; L287-L409 HydrophobicContact CD1-CD2 4.34Å; L287-L409 HydrophobicContact CD2-CD2 3.8Å; L405-L409 PolarHBondContact O-N 2.82Å; N406-L409 HydrophobicContact CB-CD1 4.2Å; N406-L409 VanDerWaalsContact O-CB 3.29Å; N406-L409 WeakPolarHBondContact O-CB 3.42Å; N406-L409 WeakPolarHBondContact O-CG 3.39Å; N406-L409 PolarHBondContact O-N 3.12Å; N406-L409 VanDerWaalsContact OD1-CD1 3.28Å; N406-L409 WeakPolarHBondContact OD1-CD1 3.14Å; E407-L409 PolarHBondContact O-N 2.75Å
410	Q	56.8	Low	66.1	Low	137 Å²	137	69 Å²	69	64%	0.64	35%	0.351	S	S	*	.	S	Bend	trans	-67.8	178.7	166.8	-65.3	179.1	65.5	0	0	110.4	Y279 E407 R408	Y279-Q410 PolarHBondContact OH-O 3.27Å; E407-Q410 WeakPolarHBondContact O-CB 3.49Å; E407-Q410 VanDerWaalsContact O-CG 3.28Å; E407-Q410 WeakPolarHBondContact O-CG 3.4Å; E407-Q410 PolarHBondContact O-N 2.84Å; E407-Q410 PolarHBondContact O-NE2 2.85Å; R408-Q410 PolarHBondContact O-N 3.08Å
411	A	65	Low	68	Low	80 Å²	80	67.3 Å²	67.3	66%	0.661	34%	0.34	S	S	*	.	S	Bend	trans	-56.6	132.3	-170.3	0	0	0	0	0	111.6
412	P	71.1	Confident	69.9	Low	6 Å²	6	65.8 Å²	65.8	4%	0.039	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-55.8	144.5	-172.3	13.7	-25.6	0	0	0	112.1	L278 Y279 Q417	L278-P412 HydrophobicContact CB-CG 3.66Å; Y279-P412 HydrophobicContact CD1-CB 3.87Å; Y279-P412 HydrophobicContact CD2-CB 3.95Å; Y279-P412 HydrophobicContact CD2-CG 3.81Å; Y279-P412 HydrophobicContact CE1-CB 3.67Å; Y279-P412 HydrophobicContact CE2-CB 3.76Å; Y279-P412 HydrophobicContact CE2-CG 3.78Å; Y279-P412 HydrophobicContact CG-CB 3.98Å; Y279-P412 HydrophobicContact CG-CG 4.2Å; P412-Q417 HydrophobicContact CB-CG 3.98Å; P412-Q417 HydrophobicContact CG-CG 3.86Å; P412-Q417 PolarHBondContact O-NE2 2.6Å
413	D	76.4	Confident	71.8	Confident	77 Å²	77	65.6 Å²	65.6	41%	0.412	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-61.1	158.3	175.3	73.5	76.5	0	0	0	111.4	E415 S416 Q417	D413-E415 PolarHBondContact O-N 3.5Å; D413-E415 VanDerWaalsContact O-N 3.08Å; D413-E415 WeakPolarHBondContact OD1-CA 3.29Å; D413-E415 WeakPolarHBondContact OD1-CB 3.41Å; D413-E415 PolarHBondContact OD1-N 3.24Å; D413-S416 PolarHBondContact O-N 2.96Å; D413-S416 PolarHBondContact OD1-N 2.79Å; D413-S416 PolarHBondContact OD1-OG 3.27Å; D413-S416 WeakPolarHBondContact OD2-CB 3.28Å; D413-S416 PolarHBondContact OD2-OG 3.43Å; D413-Q417 WeakPolarHBondContact O-CG 3.33Å; D413-Q417 PolarHBondContact O-N 2.89Å; D413-Q417 VanDerWaalsContact O-N 3.09Å
414	P	78.4	Confident	73.9	Confident	91 Å²	91	67.5 Å²	67.5	59%	0.591	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.4	-174.5	-24.6	35.8	0	0	0	115.5	K453	P414-K453 WeakPolarHBondContact O-CE 3.29Å; P414-K453 PolarHBondContact O-NZ 3.06Å
415	E	80.8	Confident	76	Confident	160 Å²	160	63.2 Å²	63.2	75%	0.748	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-37.5	177.6	-57.6	-165.5	166.9	0	0	111.1	R280 D413 Q417	R280-E415 PolarHBondContact NH1-O 3.11Å; D413-E415 PolarHBondContact O-N 3.5Å; D413-E415 VanDerWaalsContact O-N 3.08Å; D413-E415 WeakPolarHBondContact OD1-CA 3.29Å; D413-E415 WeakPolarHBondContact OD1-CB 3.41Å; D413-E415 PolarHBondContact OD1-N 3.24Å; E415-Q417 VanDerWaalsContact C-N 3.33Å; E415-Q417 PolarHBondContact O-N 2.81Å
416	S	86	Confident	78.1	Confident	24 Å²	24	63.7 Å²	63.7	17%	0.168	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-13.3	174.2	-64.8	0	0	0	0	115	R280 D413	R280-S416 WeakPolarHBondContact CB-O 3.33Å; R280-S416 PolarHBondContact N-O 2.82Å; D413-S416 PolarHBondContact O-N 2.96Å; D413-S416 PolarHBondContact OD1-N 2.79Å; D413-S416 PolarHBondContact OD1-OG 3.27Å; D413-S416 WeakPolarHBondContact OD2-CB 3.28Å; D413-S416 PolarHBondContact OD2-OG 3.43Å
417	Q	88.8	Confident	80.3	Confident	31 Å²	31	63.3 Å²	63.3	15%	0.145	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-64.1	141.8	-178.6	-85.6	170.2	27.6	0	0	113.9	L278 P412 D413 E415 K453	L278-Q417 CarbonylContact O-C 3.53Å; L278-Q417 WeakPolarHBondContact O-CA 3.49Å; P412-Q417 HydrophobicContact CB-CG 3.98Å; P412-Q417 HydrophobicContact CG-CG 3.86Å; P412-Q417 PolarHBondContact O-NE2 2.6Å; D413-Q417 WeakPolarHBondContact O-CG 3.33Å; D413-Q417 PolarHBondContact O-N 2.89Å; D413-Q417 VanDerWaalsContact O-N 3.09Å; E415-Q417 VanDerWaalsContact C-N 3.33Å; E415-Q417 PolarHBondContact O-N 2.81Å; Q417-K453 HydrophobicContact CB-CD 4.26Å; Q417-K453 HydrophobicContact CB-CG 3.82Å; Q417-K453 WeakPolarHBondContact O-CE 3.24Å
418	A	91.2	Very high	82.4	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.008	29%	0.293	C	S	.	.			trans	-71.8	144.7	173.2	0	0	0	0	0	113.1	L278 L320 Y420 K453 G454	L278-A418 PolarHBondContact O-N 3.14Å; L320-A418 HydrophobicContact CD1-CB 3.63Å; L320-A418 HydrophobicContact CD2-CB 4.33Å; A418-Y420 HydrophobicContact CB-CE2 4.17Å; A418-K453 WeakPolarHBondContact O-CA 3.35Å; A418-K453 WeakPolarHBondContact O-CG 3.46Å; A418-G454 PolarHBondContact O-N 3.07Å
419	E	91.6	Very high	84.8	Confident	53 Å²	53	51.9 Å²	51.9	25%	0.248	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	112.6	176	-67.9	179.7	-161.1	0	0	109	I451 L452 K453	E419-I451 HydrophobicContact CG-CG2 4.14Å; E419-L452 CarbonylContact C-O 3.57Å; E419-L452 WeakPolarHBondContact CA-O 3.16Å; E419-K453 HydrophobicContact CG-CB 4Å; E419-K453 HydrophobicContact CG-CD 3.7Å; E419-K453 HydrophobicContact CG-CG 3.73Å; E419-K453 WeakPolarHBondContact OE1-CD 3.47Å; E419-K453 WeakPolarHBondContact OE1-CE 3.34Å; E419-K453 IonicContact OE1-NZ 3.91Å; E419-K453 PolarHBondContact OE1-NZ 3.03Å
420	Y	91.3	Very high	86.8	Confident	26 Å²	26	51 Å²	51	10%	0.102	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-33	-172.2	-60.9	-99.1	0	0	0	112.8	N317 L320 A418 L452 F532	N317-Y420 PolarHBondContact OD1-OH 3.15Å; L320-Y420 HydrophobicContact CD1-CE1 4.27Å; L320-Y420 HydrophobicContact CD2-CD1 3.23Å; L320-Y420 HydrophobicContact CD2-CD2 4.29Å; L320-Y420 HydrophobicContact CD2-CE1 3.54Å; L320-Y420 HydrophobicContact CD2-CG 3.62Å; L320-Y420 HydrophobicContact CG-CD1 3.78Å; L320-Y420 HydrophobicContact CG-CE1 3.63Å; A418-Y420 HydrophobicContact CB-CE2 4.17Å; Y420-L452 HydrophobicContact CD2-CG 4.27Å; Y420-L452 PolarHBondContact N-O 3.08Å; Y420-F532 HydrophobicContact CE1-CE2 4.12Å; Y420-F532 AromaticContact CZ-CE2 3.75Å; Y420-F532 WeakPolarHBondContact OH-CE2 3.18Å; Y420-F532 WeakPolarHBondContact OH-CZ 3.18Å
421	K	92.8	Very high	88.4	Confident	30 Å²	30	45.1 Å²	45.1	13%	0.13	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	146.1	173.5	-167.6	170.8	177.1	71	0	110.6	L452 E517 S520 W521 A524	K421-L452 PolarHBondContact O-N 3.45Å; K421-E517 WeakPolarHBondContact CE-OE1 3.38Å; K421-E517 WeakPolarHBondContact CE-OE2 3.37Å; K421-E517 IonicContact NZ-OE1 3.7Å; K421-E517 PolarHBondContact NZ-OE1 2.94Å; K421-E517 IonicContact NZ-OE2 3.92Å; K421-E517 PolarHBondContact NZ-OE2 2.82Å; K421-S520 VanDerWaalsContact CE-OG 3.32Å; K421-S520 WeakPolarHBondContact CE-OG 3.21Å; K421-S520 PolarHBondContact NZ-OG 3.13Å; K421-W521 HydrophobicContact CB-CE3 4.43Å; K421-W521 HydrophobicContact CB-CH2 4.34Å; K421-W521 HydrophobicContact CB-CZ3 4.16Å; K421-W521 HydrophobicContact CD-CD2 3.64Å; K421-W521 HydrophobicContact CD-CE3 3.97Å; K421-W521 HydrophobicContact CD-CG 3.89Å; K421-W521 HydrophobicContact CD-CZ2 4.29Å; K421-W521 HydrophobicContact CD-CZ3 4.41Å; K421-W521 VanDerWaalsContact CE-NE1 3.28Å; K421-W521 HydrophobicContact CG-CD2 4.24Å; K421-W521 HydrophobicContact CG-CE3 4.3Å; K421-W521 HydrophobicContact CG-CH2 4.12Å; K421-W521 HydrophobicContact CG-CZ2 4.05Å; K421-W521 HydrophobicContact CG-CZ3 4.23Å; K421-A524 HydrophobicContact CB-CB 4.06Å; K421-A524 HydrophobicContact CD-CB 4.38Å
422	K	93.1	Very high	89.6	Confident	67 Å²	67	44.6 Å²	44.6	29%	0.291	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	161.2	169.4	65.2	176.8	-167.8	156.3	0	111.4	D369 F449 A450 I451	D369-K422 IonicContact OD2-NZ 3.36Å; D369-K422 PolarHBondContact OD2-NZ 3.05Å; K422-F449 HydrophobicContact CB-CE1 4.22Å; K422-F449 HydrophobicContact CB-CZ 4.2Å; K422-F449 HydrophobicContact CD-CE1 4.16Å; K422-F449 HydrophobicContact CD-CZ 3.94Å; K422-F449 HydrophobicContact CG-CZ 4.21Å; K422-A450 CarbonylContact C-O 3.53Å; K422-A450 WeakPolarHBondContact CA-O 3.33Å; K422-A450 WeakPolarHBondContact CB-O 3.12Å; K422-I451 HydrophobicContact CB-CB 4.41Å; K422-I451 HydrophobicContact CB-CG1 4.12Å; K422-I451 HydrophobicContact CB-CG2 4.35Å
423	G	93.3	Very high	90.2	Very high	15 Å²	15	49.5 Å²	49.5	16%	0.155	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.9	171.7	177.6	0	0	0	0	0	114.3	A450	G423-A450 PolarHBondContact N-O 2.85Å; G423-A450 PolarHBondContact O-N 3.09Å
424	W	94.5	Very high	90.3	Very high	111 Å²	111	47.1 Å²	47.1	42%	0.42	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	125.7	-179.4	-74	100.1	0	0	0	112.2	M447 F449 K461 E463	W424-M447 HydrophobicContact CB-SD 4.33Å; W424-M447 HydrophobicContact CE3-CG 3.48Å; W424-M447 VanDerWaalsContact CE3-CG 3.48Å; W424-M447 HydrophobicContact CE3-SD 3.91Å; W424-M447 HydrophobicContact CZ3-CG 3.69Å; W424-F449 AromaticContact CD1-CD2 3.8Å; W424-F449 HydrophobicContact CD2-CB 4.31Å; W424-F449 AromaticContact CD2-CD2 3.89Å; W424-F449 HydrophobicContact CD2-CD2 3.89Å; W424-F449 AromaticContact CE2-CD2 3.68Å; W424-F449 HydrophobicContact CE3-CB 4.15Å; W424-F449 HydrophobicContact CG-CD2 4.02Å; W424-F449 HydrophobicContact CH2-CB 4.19Å; W424-F449 HydrophobicContact CZ2-CB 4.3Å; W424-F449 HydrophobicContact CZ2-CD2 4.24Å; W424-F449 HydrophobicContact CZ3-CB 4.1Å; W424-F449 AromaticContact NE1-CD2 3.54Å; W424-F449 AromaticContact NE1-CE2 3.95Å; W424-K461 WeakPolarHBondContact CH2-O 3.35Å; W424-K461 WeakPolarHBondContact CZ3-O 3.36Å; W424-E463 HydrophobicContact CZ2-CB 3.84Å; W424-E463 PolarHBondContact NE1-OE2 3.37Å
425	V	96.3	Very high	90.4	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	141.6	178.8	-63.4	0	0	0	0	111.9	F448 A450 F510 T512 W521	V425-F448 PolarHBondContact N-O 2.83Å; V425-F448 PolarHBondContact O-N 3.2Å; V425-A450 HydrophobicContact CG2-CB 3.62Å; V425-F510 HydrophobicContact CB-CD1 4.23Å; V425-F510 HydrophobicContact CG2-CD1 3.76Å; V425-F510 HydrophobicContact CG2-CE1 4.08Å; V425-T512 HydrophobicContact CG1-CG2 4.4Å; V425-W521 HydrophobicContact CG1-CZ2 4.2Å
426	M	96.2	Very high	90.7	Very high	42 Å²	42	42.3 Å²	42.3	21%	0.207	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	126.5	166.3	-60.3	-72.7	-64.5	0	0	108.9	W445 R446 M447 F510 Q511	M426-W445 HydrophobicContact CB-CE3 3.84Å; M426-W445 HydrophobicContact CB-CZ3 4.32Å; M426-W445 HydrophobicContact CE-CB 3.89Å; M426-W445 VanDerWaalsContact O-CZ3 3.27Å; M426-W445 WeakPolarHBondContact O-CZ3 3.38Å; M426-R446 CarbonylContact C-O 3.51Å; M426-R446 WeakPolarHBondContact CA-O 3.29Å; M426-M447 HydrophobicContact CG-CE 4.2Å; M426-M447 HydrophobicContact CG-SD 4.13Å; M426-M447 VanDerWaalsContact SD-CA 3.54Å; M426-M447 HydrophobicContact SD-CB 3.61Å; M426-M447 HydrophobicContact SD-CE 3.68Å; M426-M447 HydrophobicContact SD-CG 4.21Å; M426-M447 PolarHBondContact SD-N 2.75Å; M426-M447 HydrophobicContact SD-SD 3.67Å; M426-M447 VanDerWaalsContact SD-SD 3.67Å; M426-F510 CarbonylContact O-C 3.56Å; M426-F510 VanDerWaalsContact O-CA 3.31Å; M426-F510 WeakPolarHBondContact O-CA 3.29Å; M426-Q511 HydrophobicContact CB-CB 4.17Å; M426-Q511 PolarHBondContact N-O 2.92Å; M426-Q511 PolarHBondContact O-N 2.96Å
427	R	95.4	Very high	90.8	Very high	36 Å²	36	48.7 Å²	48.7	14%	0.136	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	140	173.5	-172.9	-162.6	69.2	-163	0.3	111.8	W445 R446 F448 Y508 L509 F510	R427-W445 WeakPolarHBondContact O-CA 3.36Å; R427-R446 PolarHBondContact N-O 2.85Å; R427-R446 PolarHBondContact O-N 3.49Å; R427-F448 HydrophobicContact CB-CD2 3.82Å; R427-F448 HydrophobicContact CB-CE2 3.99Å; R427-F448 VanDerWaalsContact NH2-CZ 3.26Å; R427-Y508 HydrophobicContact CG-CD1 4.19Å; R427-L509 CarbonylContact C-O 3.38Å; R427-L509 WeakPolarHBondContact CA-O 3.28Å; R427-F510 HydrophobicContact CB-CD1 3.95Å; R427-F510 HydrophobicContact CB-CE1 3.74Å; R427-F510 HydrophobicContact CB-CZ 4.35Å; R427-F510 HydrophobicContact CG-CD1 4.09Å; R427-F510 HydrophobicContact CG-CE1 3.63Å; R427-F510 HydrophobicContact CG-CE2 4.23Å; R427-F510 HydrophobicContact CG-CZ 3.72Å
428	K	95.1	Very high	90.9	Very high	36 Å²	36	47.7 Å²	47.7	16%	0.157	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.3	166.4	174.7	-175.3	178.3	93.9	0	109.7	I430 R443 W445 Y508 L509	K428-I430 HydrophobicContact CD-CD1 3.86Å; K428-I430 HydrophobicContact CG-CD1 3.84Å; K428-R443 WeakPolarHBondContact CE-O 3.22Å; K428-R443 PolarHBondContact NZ-O 2.96Å; K428-W445 HydrophobicContact CB-CD2 3.53Å; K428-W445 HydrophobicContact CB-CE3 3.46Å; K428-W445 VanDerWaalsContact CB-CE3 3.46Å; K428-W445 HydrophobicContact CB-CG 4.09Å; K428-W445 HydrophobicContact CB-CH2 4.17Å; K428-W445 HydrophobicContact CB-CZ2 4.22Å; K428-W445 HydrophobicContact CB-CZ3 3.79Å; K428-W445 HydrophobicContact CD-CD2 4.04Å; K428-W445 HydrophobicContact CD-CG 4.32Å; K428-W445 HydrophobicContact CD-CZ2 4.01Å; K428-W445 HydrophobicContact CG-CD2 4.37Å; K428-Y508 WeakPolarHBondContact O-CA 3.4Å; K428-L509 HydrophobicContact CB-CB 4.45Å; K428-L509 HydrophobicContact CD-CD1 4.4Å; K428-L509 PolarHBondContact N-O 2.86Å; K428-L509 PolarHBondContact O-N 2.93Å
429	C	93.9	Very high	90.8	Very high	21 Å²	21	51.1 Å²	51.1	14%	0.142	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	133.4	172	-169.4	0	0	0	0	109.7	V431 V438 R443 Y508	C429-V431 PolarHBondContact SG-O 3.31Å; C429-V431 VanDerWaalsContact SG-O 3.37Å; C429-V438 HydrophobicContact CB-CG2 4.48Å; C429-R443 WeakPolarHBondContact O-CG 3.33Å; C429-Y508 HydrophobicContact CB-CD1 3.89Å; C429-Y508 HydrophobicContact CB-CE1 3.98Å; C429-Y508 VanDerWaalsContact SG-CE1 3.57Å
430	I	94	Very high	90.4	Very high	24 Å²	24	56.9 Å²	56.9	12%	0.123	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-44.4	177.8	-53.3	-61	0	0	0	110.2	K428 V438 E507 L509	K428-I430 HydrophobicContact CD-CD1 3.86Å; K428-I430 HydrophobicContact CG-CD1 3.84Å; I430-V438 PolarHBondContact O-N 3.08Å; I430-E507 HydrophobicContact CB-CB 4.3Å; I430-E507 HydrophobicContact CB-CG 4.16Å; I430-E507 WeakPolarHBondContact CG2-OE1 3.47Å; I430-E507 PolarHBondContact N-O 3.49Å; I430-L509 HydrophobicContact CD1-CD1 3.95Å; I430-L509 HydrophobicContact CD1-CG 4.26Å; I430-L509 HydrophobicContact CG1-CD1 4.21Å; I430-L509 HydrophobicContact CG1-CG 4.01Å
431	V	92.4	Very high	90.1	Very high	14 Å²	14	59.4 Å²	59.4	9%	0.085	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.3	179.5	-173.8	0	0	0	0	108.8	C429 G435 K436 K437 Y505 A506 E507	C429-V431 PolarHBondContact SG-O 3.31Å; C429-V431 VanDerWaalsContact SG-O 3.37Å; V431-G435 VanDerWaalsContact CG1-CA 3.42Å; V431-G435 WeakPolarHBondContact CG1-O 3.44Å; V431-K436 WeakPolarHBondContact CA-O 3.12Å; V431-K437 HydrophobicContact CG2-CG 4.43Å; V431-Y505 VanDerWaalsContact CG1-O 3.27Å; V431-Y505 WeakPolarHBondContact CG1-O 3.38Å; V431-A506 CarbonylContact O-C 3.58Å; V431-A506 VanDerWaalsContact O-CA 3.24Å; V431-A506 WeakPolarHBondContact O-CA 3.44Å; V431-A506 WeakPolarHBondContact O-CB 3.45Å; V431-E507 HydrophobicContact CB-CB 3.71Å; V431-E507 HydrophobicContact CG2-CB 3.81Å; V431-E507 WeakPolarHBondContact CG2-OE2 3.42Å; V431-E507 PolarHBondContact N-O 3.03Å; V431-E507 VanDerWaalsContact N-O 3.15Å; V431-E507 PolarHBondContact O-N 2.87Å
432	D	88.7	Confident	89.7	Confident	70 Å²	70	66.1 Å²	66.1	37%	0.374	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	166.2	-178.6	-148.7	-19.5	0	0	0	111.7	G434 G435 K436 V438	D432-G434 PolarHBondContact O-N 3.48Å; D432-G435 PolarHBondContact O-N 3.06Å; D432-K436 PolarHBondContact N-O 2.85Å; D432-V438 HydrophobicContact CB-CG2 4Å
433	K	83.7	Confident	89.5	Confident	109 Å²	109	66.8 Å²	66.8	47%	0.474	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	123.2	176.8	-63.2	-175.8	-179.7	177.9	0	109.4	A477 A506	K433-A477 PolarHBondContact NZ-O 3.23Å; K433-A506 HydrophobicContact CG-CB 4.07Å
434	G	79	Confident	89.4	Confident	26 Å²	26	68 Å²	68	27%	0.268	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	10.3	-171.5	0	0	0	0	0	115.7	D432 T504 F547	D432-G434 PolarHBondContact O-N 3.48Å; G434-T504 WeakPolarHBondContact CA-O 3.4Å; G434-T504 PolarHBondContact N-O 3.32Å; G434-F547 WeakPolarHBondContact O-CB 3.4Å; G434-F547 WeakPolarHBondContact O-CD2 3.42Å; G434-F547 VanDerWaalsContact O-CG 3.28Å; G434-F547 WeakPolarHBondContact O-CG 3.4Å
435	G	81	Confident	89.4	Confident	28 Å²	28	65.3 Å²	65.3	29%	0.289	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	8.8	170.1	0	0	0	0	0	115.9	V431 D432	V431-G435 VanDerWaalsContact CG1-CA 3.42Å; V431-G435 WeakPolarHBondContact CG1-O 3.44Å; D432-G435 PolarHBondContact O-N 3.06Å
436	K	85.7	Confident	89.2	Confident	122 Å²	122	73.4 Å²	73.4	53%	0.53	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.4	178.5	-68.2	-178	-178.9	177.2	0	111.4	V431 D432 V438 F547	V431-K436 WeakPolarHBondContact CA-O 3.12Å; D432-K436 PolarHBondContact N-O 2.85Å; K436-V438 PolarHBondContact O-N 2.98Å; K436-F547 HydrophobicContact CD-CE1 4.33Å; K436-F547 HydrophobicContact CD-CZ 4.41Å; K436-F547 HydrophobicContact CG-CD1 4.12Å; K436-F547 HydrophobicContact CG-CE1 4.07Å; K436-F547 HydrophobicContact CG-CZ 4.42Å
437	K	90	Very high	89.1	Confident	159 Å²	159	76 Å²	76	69%	0.691	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.8	126.4	170.8	-70.9	-178.8	178.9	176.3	0	110.2	V431	V431-K437 HydrophobicContact CG2-CG 4.43Å
438	V	89.9	Confident	89.1	Confident	10 Å²	10	74.7 Å²	74.7	6%	0.061	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-71.4	135.2	-177.8	175.8	0	0	0	0	109.8	C429 I430 D432 K436 R442 R443	C429-V438 HydrophobicContact CB-CG2 4.48Å; I430-V438 PolarHBondContact O-N 3.08Å; D432-V438 HydrophobicContact CB-CG2 4Å; K436-V438 PolarHBondContact O-N 2.98Å; V438-R442 HydrophobicContact CG1-CB 3.7Å; V438-R443 HydrophobicContact CB-CG 3.62Å; V438-R443 HydrophobicContact CG1-CG 3.64Å; V438-R443 VanDerWaalsContact O-CD 3.3Å; V438-R443 WeakPolarHBondContact O-CD 3.4Å; V438-R443 WeakPolarHBondContact O-CG 3.46Å; V438-R443 PolarHBondContact O-NE 2.85Å
439	P	89.5	Confident	88.9	Confident	72 Å²	72	73.4 Å²	73.4	47%	0.468	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-54.1	142.4	176.1	-28	35.6	0	0	0	112.3	G441 R442 R443	P439-G441 PolarHBondContact O-N 2.89Å; P439-R442 WeakPolarHBondContact O-CA 3.37Å; P439-R442 PolarHBondContact O-N 3.44Å; P439-R443 PolarHBondContact O-N 2.89Å
440	F	82.2	Confident	89	Confident	175 Å²	175	72.5 Å²	72.5	77%	0.768	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-52.2	-49	-169.6	-177.8	-102.3	0	0	0	113.3	R442 R443	F440-R442 PolarHBondContact O-N 3.47Å; F440-R442 VanDerWaalsContact O-N 3.07Å; F440-R443 PolarHBondContact O-N 2.81Å
441	G	85.2	Confident	88.9	Confident	78 Å²	78	72.3 Å²	72.3	80%	0.804	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-63.9	-9.5	177	0	0	0	0	0	115.8	P439	P439-G441 PolarHBondContact O-N 2.89Å
442	R	85.6	Confident	89	Confident	172 Å²	172	71.6 Å²	71.6	65%	0.649	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-103.6	-6.6	172.4	-55.7	-160.1	-52.8	-165.9	7.4	113.5	V438 P439 F440 G444	V438-R442 HydrophobicContact CG1-CB 3.7Å; P439-R442 WeakPolarHBondContact O-CA 3.37Å; P439-R442 PolarHBondContact O-N 3.44Å; F440-R442 PolarHBondContact O-N 3.47Å; F440-R442 VanDerWaalsContact O-N 3.07Å; R442-G444 PolarHBondContact O-N 3.09Å; R442-G444 VanDerWaalsContact O-N 3.09Å
443	R	87.9	Confident	89	Confident	80 Å²	80	69.7 Å²	69.7	30%	0.302	35%	0.352	S	S	.	.			trans	-83.2	41.5	175.9	-66.5	-168.1	-93.5	153.8	-1.3	112.5	K428 C429 V438 P439 F440	K428-R443 WeakPolarHBondContact CE-O 3.22Å; K428-R443 PolarHBondContact NZ-O 2.96Å; C429-R443 WeakPolarHBondContact O-CG 3.33Å; V438-R443 HydrophobicContact CB-CG 3.62Å; V438-R443 HydrophobicContact CG1-CG 3.64Å; V438-R443 VanDerWaalsContact O-CD 3.3Å; V438-R443 WeakPolarHBondContact O-CD 3.4Å; V438-R443 WeakPolarHBondContact O-CG 3.46Å; V438-R443 PolarHBondContact O-NE 2.85Å; P439-R443 PolarHBondContact O-N 2.89Å; F440-R443 PolarHBondContact O-N 2.81Å
444	G	90.6	Very high	89.1	Confident	42 Å²	42	64.5 Å²	64.5	43%	0.433	33%	0.329	S	S	.	.			trans	-71.5	148	174.9	0	0	0	0	0	112.2	R442	R442-G444 PolarHBondContact O-N 3.09Å; R442-G444 VanDerWaalsContact O-N 3.09Å
445	W	94.7	Very high	89.6	Confident	53 Å²	53	64 Å²	64	20%	0.201	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	140.5	160.6	-73.9	108.8	0	0	0	108.8	M426 R427 K428 Y491 K494 V497 L509 Q511	M426-W445 HydrophobicContact CB-CE3 3.84Å; M426-W445 HydrophobicContact CB-CZ3 4.32Å; M426-W445 HydrophobicContact CE-CB 3.89Å; M426-W445 VanDerWaalsContact O-CZ3 3.27Å; M426-W445 WeakPolarHBondContact O-CZ3 3.38Å; R427-W445 WeakPolarHBondContact O-CA 3.36Å; K428-W445 HydrophobicContact CB-CD2 3.53Å; K428-W445 HydrophobicContact CB-CE3 3.46Å; K428-W445 VanDerWaalsContact CB-CE3 3.46Å; K428-W445 HydrophobicContact CB-CG 4.09Å; K428-W445 HydrophobicContact CB-CH2 4.17Å; K428-W445 HydrophobicContact CB-CZ2 4.22Å; K428-W445 HydrophobicContact CB-CZ3 3.79Å; K428-W445 HydrophobicContact CD-CD2 4.04Å; K428-W445 HydrophobicContact CD-CG 4.32Å; K428-W445 HydrophobicContact CD-CZ2 4.01Å; K428-W445 HydrophobicContact CG-CD2 4.37Å; W445-Y491 AromaticContact CZ2-CE1 3.68Å; W445-Y491 HydrophobicContact CZ2-CE1 3.68Å; W445-Y491 AromaticContact CZ2-CZ 3.75Å; W445-Y491 PolarHBondContact NE1-OH 2.61Å; W445-K494 HydrophobicContact CZ2-CD 4.19Å; W445-V497 HydrophobicContact CH2-CG1 4.33Å; W445-V497 HydrophobicContact CH2-CG2 4.38Å; W445-L509 HydrophobicContact CH2-CB 3.61Å; W445-L509 HydrophobicContact CZ2-CB 4.27Å; W445-L509 HydrophobicContact CZ2-CD1 4.47Å; W445-L509 HydrophobicContact CZ3-CB 4.19Å; W445-L509 WeakPolarHBondContact CZ3-O 3.37Å; W445-Q511 HydrophobicContact CH2-CB 4.09Å; W445-Q511 HydrophobicContact CZ3-CB 3.96Å
446	R	93.1	Very high	90.1	Very high	173 Å²	173	65.2 Å²	65.2	65%	0.653	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.9	141.7	172.7	-67.2	-176.5	178.7	-173.5	-3.5	110	M426 R427 F448	M426-R446 CarbonylContact C-O 3.51Å; M426-R446 WeakPolarHBondContact CA-O 3.29Å; R427-R446 PolarHBondContact N-O 2.85Å; R427-R446 PolarHBondContact O-N 3.49Å; R446-F448 HydrophobicContact CB-CD2 4.44Å; R446-F448 HydrophobicContact CB-CE2 3.7Å; R446-F448 HydrophobicContact CB-CZ 4.18Å; R446-F448 WeakPolarHBondContact O-CD2 3.49Å
447	M	94	Very high	90.5	Very high	95 Å²	95	59.4 Å²	59.4	47%	0.468	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	144.1	172.5	-168.6	61.2	93.2	0	0	110.3	W424 M426	W424-M447 HydrophobicContact CB-SD 4.33Å; W424-M447 HydrophobicContact CE3-CG 3.48Å; W424-M447 VanDerWaalsContact CE3-CG 3.48Å; W424-M447 HydrophobicContact CE3-SD 3.91Å; W424-M447 HydrophobicContact CZ3-CG 3.69Å; M426-M447 HydrophobicContact CG-CE 4.2Å; M426-M447 HydrophobicContact CG-SD 4.13Å; M426-M447 VanDerWaalsContact SD-CA 3.54Å; M426-M447 HydrophobicContact SD-CB 3.61Å; M426-M447 HydrophobicContact SD-CE 3.68Å; M426-M447 HydrophobicContact SD-CG 4.21Å; M426-M447 PolarHBondContact SD-N 2.75Å; M426-M447 HydrophobicContact SD-SD 3.67Å; M426-M447 VanDerWaalsContact SD-SD 3.67Å
448	F	93.9	Very high	90.6	Very high	9 Å²	9	53.6 Å²	53.6	4%	0.039	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	146.8	167.9	-65.7	-86.9	0	0	0	109.5	V425 R427 R446 L459 Q460	V425-F448 PolarHBondContact N-O 2.83Å; V425-F448 PolarHBondContact O-N 3.2Å; R427-F448 HydrophobicContact CB-CD2 3.82Å; R427-F448 HydrophobicContact CB-CE2 3.99Å; R427-F448 VanDerWaalsContact NH2-CZ 3.26Å; R446-F448 HydrophobicContact CB-CD2 4.44Å; R446-F448 HydrophobicContact CB-CE2 3.7Å; R446-F448 HydrophobicContact CB-CZ 4.18Å; R446-F448 WeakPolarHBondContact O-CD2 3.49Å; F448-L459 HydrophobicContact CB-CB 4.06Å; F448-L459 HydrophobicContact CB-CD2 4.23Å; F448-L459 HydrophobicContact CD1-CB 3.85Å; F448-L459 HydrophobicContact CG-CB 3.97Å; F448-Q460 CarbonylContact C-O 3.53Å; F448-Q460 WeakPolarHBondContact CA-O 3.37Å; F448-Q460 WeakPolarHBondContact CB-O 3.44Å; F448-Q460 WeakPolarHBondContact CD1-O 3.45Å
449	F	92.8	Very high	90.7	Very high	10 Å²	10	53.1 Å²	53.1	4%	0.044	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	113.6	157.7	-168.3	-101.9	0	0	0	107.9	K422 W424 I451 Q460 E463	K422-F449 HydrophobicContact CB-CE1 4.22Å; K422-F449 HydrophobicContact CB-CZ 4.2Å; K422-F449 HydrophobicContact CD-CE1 4.16Å; K422-F449 HydrophobicContact CD-CZ 3.94Å; K422-F449 HydrophobicContact CG-CZ 4.21Å; W424-F449 AromaticContact CD1-CD2 3.8Å; W424-F449 HydrophobicContact CD2-CB 4.31Å; W424-F449 AromaticContact CD2-CD2 3.89Å; W424-F449 HydrophobicContact CD2-CD2 3.89Å; W424-F449 AromaticContact CE2-CD2 3.68Å; W424-F449 HydrophobicContact CE3-CB 4.15Å; W424-F449 HydrophobicContact CG-CD2 4.02Å; W424-F449 HydrophobicContact CH2-CB 4.19Å; W424-F449 HydrophobicContact CZ2-CB 4.3Å; W424-F449 HydrophobicContact CZ2-CD2 4.24Å; W424-F449 HydrophobicContact CZ3-CB 4.1Å; W424-F449 AromaticContact NE1-CD2 3.54Å; W424-F449 AromaticContact NE1-CE2 3.95Å; F449-I451 HydrophobicContact CD1-CD1 4.01Å; F449-I451 HydrophobicContact CD1-CG1 3.76Å; F449-I451 HydrophobicContact CE1-CD1 3.87Å; F449-I451 HydrophobicContact CE1-CG1 3.68Å; F449-Q460 HydrophobicContact CB-CB 4.49Å; F449-Q460 PolarHBondContact N-O 3.03Å; F449-Q460 PolarHBondContact O-N 3.09Å; F449-E463 HydrophobicContact CD1-CG 4.41Å; F449-E463 HydrophobicContact CD2-CB 4.28Å; F449-E463 HydrophobicContact CD2-CG 4.07Å; F449-E463 HydrophobicContact CE1-CG 4.24Å; F449-E463 HydrophobicContact CE2-CG 3.88Å; F449-E463 WeakPolarHBondContact CE2-OE1 3.11Å; F449-E463 HydrophobicContact CG-CB 4.35Å; F449-E463 HydrophobicContact CG-CG 4.32Å; F449-E463 HydrophobicContact CZ-CG 3.97Å
450	A	94.5	Very high	90.6	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	140.5	179.6	0	0	0	0	0	111	K422 G423 V425 L457 Y458 L459 W521	K422-A450 CarbonylContact C-O 3.53Å; K422-A450 WeakPolarHBondContact CA-O 3.33Å; K422-A450 WeakPolarHBondContact CB-O 3.12Å; G423-A450 PolarHBondContact N-O 2.85Å; G423-A450 PolarHBondContact O-N 3.09Å; V425-A450 HydrophobicContact CG2-CB 3.62Å; A450-L457 HydrophobicContact CB-CD1 4.17Å; A450-Y458 WeakPolarHBondContact CA-O 3.38Å; A450-L459 HydrophobicContact CB-CD2 3.6Å; A450-W521 HydrophobicContact CB-CH2 3.47Å; A450-W521 VanDerWaalsContact CB-CH2 3.47Å; A450-W521 HydrophobicContact CB-CZ2 3.92Å; A450-W521 HydrophobicContact CB-CZ3 4.17Å
451	I	92.6	Very high	90.7	Very high	20 Å²	20	48.3 Å²	48.3	10%	0.103	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	115.7	172.8	-50.2	179.4	0	0	0	107.8	E419 K422 F449 K453 Y458	E419-I451 HydrophobicContact CG-CG2 4.14Å; K422-I451 HydrophobicContact CB-CB 4.41Å; K422-I451 HydrophobicContact CB-CG1 4.12Å; K422-I451 HydrophobicContact CB-CG2 4.35Å; F449-I451 HydrophobicContact CD1-CD1 4.01Å; F449-I451 HydrophobicContact CD1-CG1 3.76Å; F449-I451 HydrophobicContact CE1-CD1 3.87Å; F449-I451 HydrophobicContact CE1-CG1 3.68Å; I451-K453 HydrophobicContact CG2-CB 4.33Å; I451-Y458 PolarHBondContact N-O 3.28Å; I451-Y458 PolarHBondContact O-N 3.08Å
452	L	93.9	Very high	90.1	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	104.1	168.3	171.8	48.5	0	0	0	108.7	E419 Y420 K421 L457 L480 W521 A524 I525	E419-L452 CarbonylContact C-O 3.57Å; E419-L452 WeakPolarHBondContact CA-O 3.16Å; Y420-L452 HydrophobicContact CD2-CG 4.27Å; Y420-L452 PolarHBondContact N-O 3.08Å; K421-L452 PolarHBondContact O-N 3.45Å; L452-L457 HydrophobicContact CB-CD1 4.17Å; L452-L480 HydrophobicContact CD1-CD1 3.42Å; L452-L480 VanDerWaalsContact CD1-CD1 3.42Å; L452-L480 HydrophobicContact CD2-CD1 4.27Å; L452-L480 HydrophobicContact CG-CD1 4.46Å; L452-W521 HydrophobicContact CB-CZ3 4.39Å; L452-A524 HydrophobicContact CD2-CB 4.11Å; L452-I525 HydrophobicContact CD2-CG1 4.22Å
453	K	89.5	Confident	89.1	Confident	30 Å²	30	46.1 Å²	46.1	13%	0.13	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.3	179.9	-170.4	165.5	-164.3	156.6	0	109.8	P414 Q417 A418 E419 I451 T455 I456 Y458	P414-K453 WeakPolarHBondContact O-CE 3.29Å; P414-K453 PolarHBondContact O-NZ 3.06Å; Q417-K453 HydrophobicContact CB-CD 4.26Å; Q417-K453 HydrophobicContact CB-CG 3.82Å; Q417-K453 WeakPolarHBondContact O-CE 3.24Å; A418-K453 WeakPolarHBondContact O-CA 3.35Å; A418-K453 WeakPolarHBondContact O-CG 3.46Å; E419-K453 HydrophobicContact CG-CB 4Å; E419-K453 HydrophobicContact CG-CD 3.7Å; E419-K453 HydrophobicContact CG-CG 3.73Å; E419-K453 WeakPolarHBondContact OE1-CD 3.47Å; E419-K453 WeakPolarHBondContact OE1-CE 3.34Å; E419-K453 IonicContact OE1-NZ 3.91Å; E419-K453 PolarHBondContact OE1-NZ 3.03Å; I451-K453 HydrophobicContact CG2-CB 4.33Å; K453-T455 PolarHBondContact O-N 3.18Å; K453-I456 PolarHBondContact N-O 3.18Å; K453-I456 PolarHBondContact O-N 3.26Å; K453-I456 VanDerWaalsContact O-O 3.07Å; K453-Y458 HydrophobicContact CB-CD2 4.05Å; K453-Y458 HydrophobicContact CB-CE2 3.96Å
454	G	85.7	Confident	87.9	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	-120.9	-168.9	0	0	0	0	0	112.2	A418 S528	A418-G454 PolarHBondContact O-N 3.07Å; G454-S528 PolarHBondContact O-OG 3.3Å; G454-S528 VanDerWaalsContact O-OG 3.04Å
455	T	89.1	Confident	86.1	Confident	16 Å²	16	45.2 Å²	45.2	10%	0.098	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	17.8	176.7	62.2	0	0	0	0	113.5	L278 K453 L480 H481 F532	L278-T455 HydrophobicContact CD1-CG2 4.26Å; L278-T455 HydrophobicContact CD2-CG2 3.97Å; K453-T455 PolarHBondContact O-N 3.18Å; T455-L480 WeakPolarHBondContact O-CB 3.36Å; T455-L480 PolarHBondContact O-N 3Å; T455-H481 PolarHBondContact OG1-NE2 2.76Å; T455-F532 HydrophobicContact CG2-CB 3.54Å; T455-F532 HydrophobicContact CG2-CD2 4.16Å; T455-F532 HydrophobicContact CG2-CG 4.15Å
456	I	91.6	Very high	84.1	Confident	52 Å²	52	47.5 Å²	47.5	27%	0.267	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127	-174.6	-58.4	175.7	0	0	0	110.7	K453 Y458 A477	K453-I456 PolarHBondContact N-O 3.18Å; K453-I456 PolarHBondContact O-N 3.26Å; K453-I456 VanDerWaalsContact O-O 3.07Å; I456-Y458 HydrophobicContact CB-CD2 4.24Å; I456-Y458 HydrophobicContact CB-CE2 3.66Å; I456-Y458 HydrophobicContact CG2-CD1 4.13Å; I456-Y458 HydrophobicContact CG2-CD2 3.87Å; I456-Y458 HydrophobicContact CG2-CE1 3.88Å; I456-Y458 HydrophobicContact CG2-CE2 3.56Å; I456-Y458 HydrophobicContact CG2-CG 4.15Å; I456-A477 HydrophobicContact CG2-CB 3.88Å
457	L	94.6	Very high	82	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	103.1	167	-176.2	65.9	0	0	0	109.1	A450 L452 L459 I478 L480 L500 F510 W521 I525	A450-L457 HydrophobicContact CB-CD1 4.17Å; L452-L457 HydrophobicContact CB-CD1 4.17Å; L457-L459 HydrophobicContact CD2-CD2 4.44Å; L457-L459 HydrophobicContact CG-CD2 4.19Å; L457-L459 HydrophobicContact CG-CG 4.49Å; L457-I478 HydrophobicContact CB-CB 4.33Å; L457-I478 PolarHBondContact N-O 3.18Å; L457-I478 PolarHBondContact O-N 3.21Å; L457-L480 HydrophobicContact CB-CD1 4.23Å; L457-L480 HydrophobicContact CB-CD2 4.18Å; L457-L480 HydrophobicContact CB-CG 4.29Å; L457-L500 HydrophobicContact CD2-CD2 4.01Å; L457-F510 HydrophobicContact CD2-CE1 4.38Å; L457-F510 HydrophobicContact CD2-CE2 4.45Å; L457-F510 HydrophobicContact CD2-CZ 3.87Å; L457-W521 HydrophobicContact CD1-CH2 4.4Å; L457-W521 HydrophobicContact CD1-CZ3 3.75Å; L457-I525 HydrophobicContact CD2-CD1 4.36Å
458	Y	92.2	Very high	79.7	Confident	36 Å²	36	50.1 Å²	50.1	14%	0.141	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	143.3	171.8	-63.7	-84.7	0	0	0	110.1	A450 I451 K453 I456 I473 A477	A450-Y458 WeakPolarHBondContact CA-O 3.38Å; I451-Y458 PolarHBondContact N-O 3.28Å; I451-Y458 PolarHBondContact O-N 3.08Å; K453-Y458 HydrophobicContact CB-CD2 4.05Å; K453-Y458 HydrophobicContact CB-CE2 3.96Å; I456-Y458 HydrophobicContact CB-CD2 4.24Å; I456-Y458 HydrophobicContact CB-CE2 3.66Å; I456-Y458 HydrophobicContact CG2-CD1 4.13Å; I456-Y458 HydrophobicContact CG2-CD2 3.87Å; I456-Y458 HydrophobicContact CG2-CE1 3.88Å; I456-Y458 HydrophobicContact CG2-CE2 3.56Å; I456-Y458 HydrophobicContact CG2-CG 4.15Å; Y458-I473 HydrophobicContact CD1-CG2 3.5Å; Y458-I473 HydrophobicContact CE1-CG2 3.95Å; Y458-A477 HydrophobicContact CD1-CB 4.15Å; Y458-A477 HydrophobicContact CE1-CB 4.34Å
459	L	92.5	Very high	77.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	94.5	-178.6	-61.2	172.6	0	0	0	109.3	F448 A450 L457 N476 I478 F510	F448-L459 HydrophobicContact CB-CB 4.06Å; F448-L459 HydrophobicContact CB-CD2 4.23Å; F448-L459 HydrophobicContact CD1-CB 3.85Å; F448-L459 HydrophobicContact CG-CB 3.97Å; A450-L459 HydrophobicContact CB-CD2 3.6Å; L457-L459 HydrophobicContact CD2-CD2 4.44Å; L457-L459 HydrophobicContact CG-CD2 4.19Å; L457-L459 HydrophobicContact CG-CG 4.49Å; L459-N476 HydrophobicContact CB-CB 4.17Å; L459-N476 VanDerWaalsContact O-CB 3.26Å; L459-N476 WeakPolarHBondContact O-CB 3.31Å; L459-N476 PolarHBondContact O-ND2 2.77Å; L459-I478 HydrophobicContact CD1-CD1 3.75Å; L459-I478 HydrophobicContact CD1-CG1 4.37Å; L459-F510 HydrophobicContact CD1-CE1 4.21Å; L459-F510 HydrophobicContact CD1-CZ 4.17Å; L459-F510 HydrophobicContact CD2-CE1 3.96Å; L459-F510 HydrophobicContact CD2-CZ 4.48Å
460	Q	87.3	Confident	75.8	Confident	17 Å²	17	53.4 Å²	53.4	8%	0.079	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	155.1	178.1	-57	-175.2	13.2	0	0	109.6	F448 F449	F448-Q460 CarbonylContact C-O 3.53Å; F448-Q460 WeakPolarHBondContact CA-O 3.37Å; F448-Q460 WeakPolarHBondContact CB-O 3.44Å; F448-Q460 WeakPolarHBondContact CD1-O 3.45Å; F449-Q460 HydrophobicContact CB-CB 4.49Å; F449-Q460 PolarHBondContact N-O 3.03Å; F449-Q460 PolarHBondContact O-N 3.09Å
461	K	83.1	Confident	73.6	Confident	130 Å²	130	61.4 Å²	61.4	57%	0.565	34%	0.336	S	S	*	.	S	Bend	trans	-77	-44.7	172.6	-76.6	-176.2	178.8	-178.9	0	111.3	W424	W424-K461 WeakPolarHBondContact CH2-O 3.35Å; W424-K461 WeakPolarHBondContact CZ3-O 3.36Å
462	D	73.1	Confident	71.9	Confident	92 Å²	92	64 Å²	64	49%	0.492	35%	0.35	S	S	.	.	S	Bend	trans	-127.3	139.3	-165.8	-37.2	-67.9	0	0	0	107.9	G464 S465	D462-G464 PolarHBondContact O-N 3.15Å; D462-S465 WeakPolarHBondContact O-CB 3.48Å; D462-S465 PolarHBondContact O-N 3.45Å
463	E	65.2	Low	70.3	Confident	111 Å²	111	65.4 Å²	65.4	52%	0.519	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	113.7	-177	-170.9	162.7	179.5	0	0	109.9	W424 F449	W424-E463 HydrophobicContact CZ2-CB 3.84Å; W424-E463 PolarHBondContact NE1-OE2 3.37Å; F449-E463 HydrophobicContact CD1-CG 4.41Å; F449-E463 HydrophobicContact CD2-CB 4.28Å; F449-E463 HydrophobicContact CD2-CG 4.07Å; F449-E463 HydrophobicContact CE1-CG 4.24Å; F449-E463 HydrophobicContact CE2-CG 3.88Å; F449-E463 WeakPolarHBondContact CE2-OE1 3.11Å; F449-E463 HydrophobicContact CG-CB 4.35Å; F449-E463 HydrophobicContact CG-CG 4.32Å; F449-E463 HydrophobicContact CZ-CG 3.97Å
464	G	61.3	Low	69.2	Low	59 Å²	59	72 Å²	72	61%	0.608	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.7	5.4	-174.4	0	0	0	0	0	115.8	D462 V466	D462-G464 PolarHBondContact O-N 3.15Å; G464-V466 PolarHBondContact O-N 3.44Å
465	S	53.4	Low	68.5	Low	44 Å²	44	80.8 Å²	80.8	31%	0.308	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	42	179.7	-156.2	0	0	0	0	114.4	D462	D462-S465 WeakPolarHBondContact O-CB 3.48Å; D462-S465 PolarHBondContact O-N 3.45Å
466	V	52.9	Low	68.3	Low	101 Å²	101	81.5 Å²	81.5	61%	0.612	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-37.5	176.1	-174.9	0	0	0	0	110.8	G464 G468	G464-V466 PolarHBondContact O-N 3.44Å; V466-G468 PolarHBondContact O-N 3.15Å
467	R	48	Very low	68.2	Low	241 Å²	241	79.7 Å²	79.7	91%	0.909	41%	0.411	S	S	*	.	S	Bend	trans	-79.2	120.8	178	-63.6	-174.6	-177.4	-172	1.7	110.6
468	G	47.4	Very low	68.1	Low	83 Å²	83	79.7 Å²	79.7	86%	0.856	41%	0.412	S	S	*	.	S	Bend	trans	107	-12.2	159.7	0	0	0	0	0	118.5	V466	V466-G468 PolarHBondContact O-N 3.15Å
469	C	47.7	Very low	68.1	Low	55 Å²	55	79.2 Å²	79.2	37%	0.372	42%	0.418	S	S	.	.			trans	-148.6	57.3	-179.9	-143.3	0	0	0	0	116.9	Y471 I472 I473	C469-Y471 PolarHBondContact O-N 3.03Å; C469-Y471 VanDerWaalsContact O-N 3.07Å; C469-I472 HydrophobicContact CB-CB 4.43Å; C469-I472 HydrophobicContact CB-CD1 4.28Å; C469-I472 HydrophobicContact CB-CG1 4.46Å; C469-I472 PolarHBondContact O-N 3.11Å; C469-I472 WeakPolarHBondContact SG-CD1 3.41Å; C469-I472 VanDerWaalsContact SG-CG1 3.6Å; C469-I473 PolarHBondContact O-N 3.46Å
470	G	56.6	Low	68.2	Low	33 Å²	33	79.3 Å²	79.3	34%	0.34	42%	0.418	S	S	.	.	H	α-helix	trans	-49.2	-36.2	176.8	0	0	0	0	0	114.8	I472 I473 Y474	G470-I472 VanDerWaalsContact C-N 3.32Å; G470-I472 PolarHBondContact O-N 3.19Å; G470-I473 WeakPolarHBondContact O-CB 3.3Å; G470-I473 PolarHBondContact O-N 3.38Å; G470-I473 VanDerWaalsContact O-N 3.13Å; G470-Y474 WeakPolarHBondContact O-CD2 3.5Å; G470-Y474 PolarHBondContact O-N 3.18Å
471	Y	48.4	Very low	68.4	Low	168 Å²	168	79.2 Å²	79.2	66%	0.659	42%	0.418	S	S	*	.	H	α-helix	trans	-57.7	-38.9	175.7	179	-97.1	0	0	0	113.6	C469 R475	C469-Y471 PolarHBondContact O-N 3.03Å; C469-Y471 VanDerWaalsContact O-N 3.07Å; Y471-R475 VanDerWaalsContact O-CB 3.28Å; Y471-R475 WeakPolarHBondContact O-CB 3.19Å; Y471-R475 PolarHBondContact O-N 2.86Å
472	I	56.8	Low	68.9	Low	74 Å²	74	73.1 Å²	73.1	38%	0.379	39%	0.391	S	S	.	.	H	α-helix	trans	-71.2	-38.5	177.1	-68.3	178.8	0	0	0	110.6	C469 G470 R475 N476	C469-I472 HydrophobicContact CB-CB 4.43Å; C469-I472 HydrophobicContact CB-CD1 4.28Å; C469-I472 HydrophobicContact CB-CG1 4.46Å; C469-I472 PolarHBondContact O-N 3.11Å; C469-I472 WeakPolarHBondContact SG-CD1 3.41Å; C469-I472 VanDerWaalsContact SG-CG1 3.6Å; G470-I472 VanDerWaalsContact C-N 3.32Å; G470-I472 PolarHBondContact O-N 3.19Å; I472-R475 PolarHBondContact O-N 2.86Å; I472-N476 PolarHBondContact O-N 3.23Å; I472-N476 VanDerWaalsContact O-N 3.09Å
473	I	60.9	Low	69.9	Low	30 Å²	30	68.8 Å²	68.8	15%	0.154	37%	0.368	C	S	.	.	H	α-helix	trans	-59.3	-53.1	176.3	-58.5	176.3	0	0	0	109.8	Y458 C469 G470 R475 N476 A477	Y458-I473 HydrophobicContact CD1-CG2 3.5Å; Y458-I473 HydrophobicContact CE1-CG2 3.95Å; C469-I473 PolarHBondContact O-N 3.46Å; G470-I473 WeakPolarHBondContact O-CB 3.3Å; G470-I473 PolarHBondContact O-N 3.38Å; G470-I473 VanDerWaalsContact O-N 3.13Å; I473-R475 VanDerWaalsContact C-N 3.35Å; I473-R475 PolarHBondContact O-N 2.91Å; I473-N476 PolarHBondContact O-N 2.82Å; I473-A477 PolarHBondContact O-N 3.34Å; I473-A477 VanDerWaalsContact O-N 3.1Å
474	Y	66.2	Low	71.4	Confident	168 Å²	168	64.6 Å²	64.6	66%	0.659	35%	0.347	S	S	*	.	H	α-helix	trans	-62	-38.1	176.9	-64.7	-58.1	0	0	0	113.1	G470 N476 A477	G470-Y474 WeakPolarHBondContact O-CD2 3.5Å; G470-Y474 PolarHBondContact O-N 3.18Å; Y474-N476 VanDerWaalsContact C-N 3.28Å; Y474-N476 PolarHBondContact O-N 3.41Å; Y474-A477 PolarHBondContact O-N 2.65Å
475	R	70.7	Confident	73.2	Confident	185 Å²	185	61.9 Å²	61.9	70%	0.698	32%	0.319	S	S	*	.	H	α-helix	trans	-65.4	-31	178.9	-175.4	174.5	-178.5	-179.7	3.8	113.1	Y471 I472 I473	Y471-R475 VanDerWaalsContact O-CB 3.28Å; Y471-R475 WeakPolarHBondContact O-CB 3.19Å; Y471-R475 PolarHBondContact O-N 2.86Å; I472-R475 PolarHBondContact O-N 2.86Å; I473-R475 VanDerWaalsContact C-N 3.35Å; I473-R475 PolarHBondContact O-N 2.91Å
476	N	83.6	Confident	75.3	Confident	31 Å²	31	61.6 Å²	61.6	17%	0.166	31%	0.313	C	S	.	.	H	α-helix	trans	-92.1	-9.2	178.4	-79.4	-30.3	0	0	0	113.8	L459 I472 I473 Y474	L459-N476 HydrophobicContact CB-CB 4.17Å; L459-N476 VanDerWaalsContact O-CB 3.26Å; L459-N476 WeakPolarHBondContact O-CB 3.31Å; L459-N476 PolarHBondContact O-ND2 2.77Å; I472-N476 PolarHBondContact O-N 3.23Å; I472-N476 VanDerWaalsContact O-N 3.09Å; I473-N476 PolarHBondContact O-N 2.82Å; Y474-N476 VanDerWaalsContact C-N 3.28Å; Y474-N476 PolarHBondContact O-N 3.41Å
477	A	90.1	Very high	77.4	Confident	14 Å²	14	65.4 Å²	65.4	12%	0.116	32%	0.316	C	S	.	.			trans	-68.9	139.8	-178	0	0	0	0	0	113.7	K433 I456 Y458 I473 Y474	K433-A477 PolarHBondContact NZ-O 3.23Å; I456-A477 HydrophobicContact CG2-CB 3.88Å; Y458-A477 HydrophobicContact CD1-CB 4.15Å; Y458-A477 HydrophobicContact CE1-CB 4.34Å; I473-A477 PolarHBondContact O-N 3.34Å; I473-A477 VanDerWaalsContact O-N 3.1Å; Y474-A477 PolarHBondContact O-N 2.65Å
478	I	92.9	Very high	79.7	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	110.5	178	-54.7	173.8	0	0	0	108	L457 L459 L480 L500 T502 Y508 F510	L457-I478 HydrophobicContact CB-CB 4.33Å; L457-I478 PolarHBondContact N-O 3.18Å; L457-I478 PolarHBondContact O-N 3.21Å; L459-I478 HydrophobicContact CD1-CD1 3.75Å; L459-I478 HydrophobicContact CD1-CG1 4.37Å; I478-L480 HydrophobicContact CG2-CD2 4.27Å; I478-L500 HydrophobicContact CD1-CD2 4.48Å; I478-L500 HydrophobicContact CG2-CD2 4.16Å; I478-T502 HydrophobicContact CG2-CG2 3.54Å; I478-Y508 HydrophobicContact CD1-CD1 4.34Å; I478-Y508 HydrophobicContact CD1-CD2 3.98Å; I478-Y508 HydrophobicContact CD1-CE1 4.14Å; I478-Y508 HydrophobicContact CD1-CE2 3.74Å; I478-Y508 HydrophobicContact CD1-CG 4.28Å; I478-Y508 HydrophobicContact CG1-CE2 4.26Å; I478-Y508 HydrophobicContact CG2-CE2 4.18Å; I478-F510 HydrophobicContact CD1-CZ 4.04Å
479	G	92.1	Very high	81.9	Confident	26 Å²	26	57.1 Å²	57.1	27%	0.268	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	136.3	173.2	0	0	0	0	0	111.2
480	L	94.3	Very high	84	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	29%	0.286	C	S	.	.			trans	-104.6	1.8	-170.4	-59.6	-175.1	0	0	0	115.2	L452 T455 L457 I478 H482 A483 L500 I525 A529	L452-L480 HydrophobicContact CD1-CD1 3.42Å; L452-L480 VanDerWaalsContact CD1-CD1 3.42Å; L452-L480 HydrophobicContact CD2-CD1 4.27Å; L452-L480 HydrophobicContact CG-CD1 4.46Å; T455-L480 WeakPolarHBondContact O-CB 3.36Å; T455-L480 PolarHBondContact O-N 3Å; L457-L480 HydrophobicContact CB-CD1 4.23Å; L457-L480 HydrophobicContact CB-CD2 4.18Å; L457-L480 HydrophobicContact CB-CG 4.29Å; I478-L480 HydrophobicContact CG2-CD2 4.27Å; L480-H482 PolarHBondContact O-N 2.86Å; L480-H482 VanDerWaalsContact O-N 3.14Å; L480-A483 HydrophobicContact CB-CB 4.09Å; L480-A483 HydrophobicContact CD2-CB 3.9Å; L480-A483 VanDerWaalsContact O-CB 3.28Å; L480-A483 WeakPolarHBondContact O-CB 3.21Å; L480-A483 PolarHBondContact O-N 3.42Å; L480-L500 HydrophobicContact CD2-CD1 4.34Å; L480-L500 HydrophobicContact CD2-CD2 4.09Å; L480-I525 HydrophobicContact CD1-CB 4.44Å; L480-I525 HydrophobicContact CD1-CG1 4.15Å; L480-I525 HydrophobicContact CD1-CG2 4.15Å; L480-I525 HydrophobicContact CD2-CG2 4.29Å; L480-A529 WeakPolarHBondContact O-CB 3.5Å
481	H	91.5	Very high	85.7	Confident	16 Å²	16	59.9 Å²	59.9	7%	0.074	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	124	169.3	-61.9	-79.5	0	0	0	109.8	T455 A483 Y503 F532 V558	T455-H481 PolarHBondContact OG1-NE2 2.76Å; H481-A483 PolarHBondContact O-N 3.05Å; H481-A483 VanDerWaalsContact O-N 3.15Å; H481-Y503 WeakPolarHBondContact O-CB 3.27Å; H481-Y503 WeakPolarHBondContact O-CD1 3.25Å; H481-F532 PolarHBondContact ND1-O 3.11Å; H481-V558 VanDerWaalsContact CE1-C 3.49Å; H481-V558 PolarHBondContact ND1-O 2.91Å
482	H	92.9	Very high	87.8	Confident	2 Å²	2	58.1 Å²	58.1	1%	0.009	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	29.8	-170.5	-42.8	-95.3	0	0	0	114.9	L480 S533 S534 L555 P556 R615 Y616 Y619	L480-H482 PolarHBondContact O-N 2.86Å; L480-H482 VanDerWaalsContact O-N 3.14Å; H482-S533 PolarHBondContact N-OG 3.5Å; H482-S534 PolarHBondContact CE1-O 2.89Å; H482-S534 PolarHBondContact NE2-O 2.85Å; H482-L555 HydrophobicContact CB-CD1 3.78Å; H482-P556 PolarHBondContact CD2-O 3.13Å; H482-P556 WeakPolarHBondContact NE2-CD 3.38Å; H482-P556 PolarHBondContact NE2-O 2.86Å; H482-R615 PolarHBondContact O-NE 2.89Å; H482-R615 PolarHBondContact O-NH2 3.33Å; H482-Y616 PolarHBondContact ND1-OH 3.17Å; H482-Y619 WeakPolarHBondContact CA-OH 3.22Å
483	A	95.6	Very high	89.5	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.302	C	S	.	.			trans	-78.9	151.1	169.3	0	0	0	0	0	111.2	L480 H481 L500 H501 A529 Y619	L480-A483 HydrophobicContact CB-CB 4.09Å; L480-A483 HydrophobicContact CD2-CB 3.9Å; L480-A483 VanDerWaalsContact O-CB 3.28Å; L480-A483 WeakPolarHBondContact O-CB 3.21Å; L480-A483 PolarHBondContact O-N 3.42Å; H481-A483 PolarHBondContact O-N 3.05Å; H481-A483 VanDerWaalsContact O-N 3.15Å; A483-L500 HydrophobicContact CB-CD1 4.06Å; A483-H501 CarbonylContact C-O 3.53Å; A483-H501 WeakPolarHBondContact CA-O 3.42Å; A483-H501 WeakPolarHBondContact CB-O 3.23Å; A483-A529 WeakPolarHBondContact O-CB 3.14Å; A483-Y619 PolarHBondContact O-OH 3.36Å
484	Y	97.1	Very high	91.2	Very high	24 Å²	24	64.8 Å²	64.8	9%	0.094	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	123.3	176.8	-174.8	-125.6	0	0	0	110	E486 H501 Y611 R614 R615 A618	Y484-E486 HydrophobicContact CE1-CB 4.03Å; Y484-E486 HydrophobicContact CE1-CG 4.38Å; Y484-E486 WeakPolarHBondContact CE1-OE2 3.19Å; Y484-H501 PolarHBondContact N-O 2.93Å; Y484-H501 PolarHBondContact O-N 3.3Å; Y484-Y611 AromaticContact CD1-CE2 3.95Å; Y484-Y611 HydrophobicContact CD1-CE2 3.95Å; Y484-R614 HydrophobicContact CE1-CB 4.33Å; Y484-R615 HydrophobicContact CD1-CB 4.47Å; Y484-R615 HydrophobicContact CD2-CB 4.03Å; Y484-R615 HydrophobicContact CD2-CG 4.05Å; Y484-R615 HydrophobicContact CG-CB 3.98Å; Y484-R615 HydrophobicContact CG-CG 4.16Å; Y484-A618 HydrophobicContact CE2-CB 3.72Å
485	A	98	Very high	92.6	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	138.2	171.5	0	0	0	0	0	110.4	F498 K499 L500 V522 I525 N526	A485-F498 HydrophobicContact CB-CD2 4.36Å; A485-K499 WeakPolarHBondContact CA-O 3.43Å; A485-L500 HydrophobicContact CB-CD1 4.29Å; A485-V522 HydrophobicContact CB-CB 4.3Å; A485-V522 HydrophobicContact CB-CG1 4.22Å; A485-V522 HydrophobicContact CB-CG2 4.07Å; A485-I525 HydrophobicContact CB-CB 4.21Å; A485-I525 HydrophobicContact CB-CG2 3.86Å; A485-N526 PolarHBondContact N-OD1 2.85Å; A485-N526 PolarHBondContact O-ND2 3.01Å
486	E	97.2	Very high	93.8	Very high	38 Å²	38	58.6 Å²	58.6	18%	0.178	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	146.7	175.8	64.3	-174.3	174.7	0	0	109.8	Y484 A488 F498 K499 H501 R614	Y484-E486 HydrophobicContact CE1-CB 4.03Å; Y484-E486 HydrophobicContact CE1-CG 4.38Å; Y484-E486 WeakPolarHBondContact CE1-OE2 3.19Å; E486-A488 PolarHBondContact O-N 3.24Å; E486-F498 CarbonylContact O-C 3.51Å; E486-F498 WeakPolarHBondContact O-CA 3.48Å; E486-F498 WeakPolarHBondContact O-CB 3.29Å; E486-K499 HydrophobicContact CG-CB 4.09Å; E486-K499 HydrophobicContact CG-CD 4.48Å; E486-K499 PolarHBondContact N-O 3.34Å; E486-K499 VanDerWaalsContact N-O 3.1Å; E486-K499 PolarHBondContact O-N 3.13Å; E486-H501 IonicContact OE1-CE1 3.79Å; E486-H501 PolarHBondContact OE1-CE1 3.03Å; E486-H501 VanDerWaalsContact OE1-CE1 3.28Å; E486-H501 IonicContact OE1-ND1 2.74Å; E486-R614 IonicContact OE2-NE 2.73Å; E486-R614 IonicContact OE2-NH2 3.04Å; E486-R614 PolarHBondContact OE2-NH2 3.02Å
487	R	97.3	Very high	94.5	Very high	182 Å²	182	57.5 Å²	57.5	69%	0.687	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	131.5	174.7	178.7	174.4	173	171.4	-3	109.4	T489 V518	R487-T489 PolarHBondContact O-N 3.36Å; R487-V518 HydrophobicContact CG-CG1 4.4Å
488	A	96.2	Very high	94.9	Very high	13 Å²	13	56.9 Å²	56.9	11%	0.107	28%	0.281	C	S	.	.			trans	-78.8	93.2	-174.5	0	0	0	0	0	111.3	E486 V497 K499 L509	E486-A488 PolarHBondContact O-N 3.24Å; A488-V497 HydrophobicContact CB-CB 4.11Å; A488-V497 HydrophobicContact CB-CG1 3.72Å; A488-V497 WeakPolarHBondContact CB-O 3.02Å; A488-V497 PolarHBondContact N-O 2.8Å; A488-K499 HydrophobicContact CB-CG 4.16Å; A488-L509 HydrophobicContact CB-CD2 4.23Å
489	T	93.1	Very high	95.1	Very high	136 Å²	136	58.2 Å²	58.2	83%	0.834	29%	0.287	S	S	*	.	S	Bend	trans	-75.2	-24	-179.7	50.5	0	0	0	0	113.9	R487	R487-T489 PolarHBondContact O-N 3.36Å
490	D	92.4	Very high	95.3	Very high	104 Å²	104	57 Å²	57	56%	0.556	27%	0.274	S	S	*	.	S	Bend	trans	-94.6	-3.9	-179.7	64.2	-27.3	0	0	0	113.9	K499	D490-K499 WeakPolarHBondContact OD1-CE 3.28Å; D490-K499 IonicContact OD1-NZ 2.71Å; D490-K499 PolarHBondContact OD1-NZ 2.94Å; D490-K499 IonicContact OD2-NZ 3.64Å; D490-K499 PolarHBondContact OD2-NZ 3.36Å
491	Y	92.8	Very high	95.4	Very high	43 Å²	43	58.5 Å²	58.5	17%	0.169	28%	0.281	C	S	.	.			trans	-101.4	86.8	-175.4	-165.6	-96.5	0	0	0	113.2	W445 K493 K494 V497 L509	W445-Y491 AromaticContact CZ2-CE1 3.68Å; W445-Y491 HydrophobicContact CZ2-CE1 3.68Å; W445-Y491 AromaticContact CZ2-CZ 3.75Å; W445-Y491 PolarHBondContact NE1-OH 2.61Å; Y491-K493 HydrophobicContact CE1-CB 3.88Å; Y491-K493 HydrophobicContact CE2-CB 4.36Å; Y491-K493 PolarHBondContact O-N 3.3Å; Y491-K494 HydrophobicContact CE1-CB 4.02Å; Y491-K494 HydrophobicContact CE1-CG 4.32Å; Y491-V497 HydrophobicContact CD1-CB 4.28Å; Y491-V497 HydrophobicContact CD1-CG1 4.08Å; Y491-V497 HydrophobicContact CD1-CG2 3.93Å; Y491-V497 HydrophobicContact CE1-CG2 4.32Å; Y491-V497 HydrophobicContact CG-CG1 4.47Å; Y491-L509 HydrophobicContact CD1-CD1 4.37Å; Y491-L509 HydrophobicContact CD2-CD1 3.37Å; Y491-L509 HydrophobicContact CE1-CD1 4.42Å; Y491-L509 HydrophobicContact CE2-CD1 3.43Å; Y491-L509 VanDerWaalsContact CE2-CD1 3.43Å; Y491-L509 HydrophobicContact CG-CD1 3.86Å
492	T	91.9	Very high	95.4	Very high	131 Å²	131	57.9 Å²	57.9	80%	0.804	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-11.3	-177.1	55.9	0	0	0	0	115.5	K494	T492-K494 PolarHBondContact O-N 3.44Å
493	K	93.1	Very high	95.1	Very high	173 Å²	173	60.8 Å²	60.8	75%	0.752	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-9	-169.4	-61.4	-166.4	177.2	-162.6	0	115.3	Y491	Y491-K493 HydrophobicContact CE1-CB 3.88Å; Y491-K493 HydrophobicContact CE2-CB 4.36Å; Y491-K493 PolarHBondContact O-N 3.3Å
494	K	95.3	Very high	94.6	Very high	70 Å²	70	62.5 Å²	62.5	30%	0.304	30%	0.3	S	S	.	.	S	Bend	trans	-150.6	146.8	169.5	-69.1	-157.9	170.8	-164.3	0	109	W445 Y491 T492 V497 Q511	W445-K494 HydrophobicContact CZ2-CD 4.19Å; Y491-K494 HydrophobicContact CE1-CB 4.02Å; Y491-K494 HydrophobicContact CE1-CG 4.32Å; T492-K494 PolarHBondContact O-N 3.44Å; K494-V497 HydrophobicContact CB-CG2 3.87Å; K494-Q511 HydrophobicContact CB-CG 4.42Å; K494-Q511 HydrophobicContact CD-CB 4.5Å; K494-Q511 HydrophobicContact CD-CG 4.06Å
495	K	95.6	Very high	94	Very high	166 Å²	166	63.8 Å²	63.8	72%	0.722	31%	0.305	S	S	*	.	S	Bend	trans	-74.2	166.3	167.9	-57.9	-177.3	179.3	-179.1	0	110.8	V497 Q511	K495-V497 WeakPolarHBondContact O-CG2 3.28Å; K495-V497 PolarHBondContact O-N 3.05Å; K495-Q511 WeakPolarHBondContact O-CG 3.37Å
496	H	96.6	Very high	93.6	Very high	58 Å²	58	63.8 Å²	63.8	27%	0.269	31%	0.305	S	S	.	.	S	Bend	trans	54.5	54	171.9	-42.3	-72.2	0	0	0	113.4	Q511 T512 S513 P515 V518	H496-Q511 VanDerWaalsContact O-CA 3.31Å; H496-Q511 WeakPolarHBondContact O-CA 3.29Å; H496-T512 WeakPolarHBondContact CB-OG1 3.37Å; H496-T512 PolarHBondContact O-N 2.82Å; H496-T512 PolarHBondContact O-OG1 2.86Å; H496-S513 PolarHBondContact CD2-O 2.96Å; H496-P515 WeakPolarHBondContact ND1-CD 3.41Å; H496-P515 VanDerWaalsContact ND1-N 3.15Å; H496-V518 VanDerWaalsContact C-CG2 3.49Å; H496-V518 HydrophobicContact CB-CG2 3.79Å
497	V	97.9	Very high	93.5	Very high	8 Å²	8	64 Å²	64	5%	0.048	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.8	-177.9	179.9	0	0	0	0	111.8	W445 A488 Y491 K494 K495 L509 F510 Q511	W445-V497 HydrophobicContact CH2-CG1 4.33Å; W445-V497 HydrophobicContact CH2-CG2 4.38Å; A488-V497 HydrophobicContact CB-CB 4.11Å; A488-V497 HydrophobicContact CB-CG1 3.72Å; A488-V497 WeakPolarHBondContact CB-O 3.02Å; A488-V497 PolarHBondContact N-O 2.8Å; Y491-V497 HydrophobicContact CD1-CB 4.28Å; Y491-V497 HydrophobicContact CD1-CG1 4.08Å; Y491-V497 HydrophobicContact CD1-CG2 3.93Å; Y491-V497 HydrophobicContact CE1-CG2 4.32Å; Y491-V497 HydrophobicContact CG-CG1 4.47Å; K494-V497 HydrophobicContact CB-CG2 3.87Å; K495-V497 WeakPolarHBondContact O-CG2 3.28Å; K495-V497 PolarHBondContact O-N 3.05Å; V497-L509 HydrophobicContact CG1-CB 4.09Å; V497-L509 HydrophobicContact CG1-CD2 3.91Å; V497-L509 HydrophobicContact CG1-CG 4.46Å; V497-F510 CarbonylContact C-O 3.53Å; V497-F510 WeakPolarHBondContact CA-O 3.4Å; V497-F510 WeakPolarHBondContact CG1-O 3.46Å; V497-Q511 HydrophobicContact CG2-CB 4.06Å; V497-Q511 HydrophobicContact CG2-CG 4.01Å
498	F	98.3	Very high	93.5	Very high	1 Å²	1	56 Å²	56	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	153.8	162.7	63.4	-85.6	0	0	0	112	A485 E486 L509 F510 T512 V518 W521 V522 I525	A485-F498 HydrophobicContact CB-CD2 4.36Å; E486-F498 CarbonylContact O-C 3.51Å; E486-F498 WeakPolarHBondContact O-CA 3.48Å; E486-F498 WeakPolarHBondContact O-CB 3.29Å; F498-L509 WeakPolarHBondContact O-CA 3.47Å; F498-F510 HydrophobicContact CD1-CB 3.87Å; F498-F510 HydrophobicContact CD2-CB 4.03Å; F498-F510 HydrophobicContact CD2-CD2 4.3Å; F498-F510 HydrophobicContact CE1-CB 3.45Å; F498-F510 VanDerWaalsContact CE1-CB 3.45Å; F498-F510 HydrophobicContact CE1-CG 4.33Å; F498-F510 HydrophobicContact CE2-CB 3.62Å; F498-F510 AromaticContact CE2-CD2 3.69Å; F498-F510 HydrophobicContact CE2-CD2 3.69Å; F498-F510 AromaticContact CE2-CG 3.82Å; F498-F510 HydrophobicContact CE2-CG 3.82Å; F498-F510 HydrophobicContact CG-CB 4.15Å; F498-F510 HydrophobicContact CZ-CB 3.32Å; F498-F510 HydrophobicContact CZ-CD1 4.39Å; F498-F510 HydrophobicContact CZ-CD2 4.07Å; F498-F510 AromaticContact CZ-CG 3.71Å; F498-F510 HydrophobicContact CZ-CG 3.71Å; F498-F510 PolarHBondContact N-O 3.5Å; F498-F510 PolarHBondContact O-N 3.41Å; F498-T512 HydrophobicContact CD1-CG2 4.45Å; F498-T512 HydrophobicContact CE1-CG2 4.04Å; F498-V518 HydrophobicContact CB-CG1 3.88Å; F498-V518 HydrophobicContact CD1-CG1 4.2Å; F498-W521 HydrophobicContact CD1-CB 4.3Å; F498-W521 HydrophobicContact CE1-CB 3.52Å; F498-W521 AromaticContact CE1-CG 3.93Å; F498-W521 HydrophobicContact CE1-CG 3.93Å; F498-W521 HydrophobicContact CE2-CB 4.44Å; F498-W521 HydrophobicContact CZ-CB 3.61Å; F498-W521 HydrophobicContact CZ-CD2 4.49Å; F498-W521 HydrophobicContact CZ-CG 4.01Å; F498-V522 HydrophobicContact CB-CG2 3.66Å; F498-V522 HydrophobicContact CD2-CG2 4.34Å; F498-V522 HydrophobicContact CG-CG2 4.03Å; F498-I525 HydrophobicContact CE2-CD1 3.82Å; F498-I525 HydrophobicContact CZ-CD1 4.25Å
499	K	97.6	Very high	93.6	Very high	29 Å²	29	55.7 Å²	55.7	13%	0.126	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	144.6	164.6	-76.6	173.2	176.8	176.8	0	109.3	A485 E486 A488 D490 Y508 L509	A485-K499 WeakPolarHBondContact CA-O 3.43Å; E486-K499 HydrophobicContact CG-CB 4.09Å; E486-K499 HydrophobicContact CG-CD 4.48Å; E486-K499 PolarHBondContact N-O 3.34Å; E486-K499 VanDerWaalsContact N-O 3.1Å; E486-K499 PolarHBondContact O-N 3.13Å; A488-K499 HydrophobicContact CB-CG 4.16Å; D490-K499 WeakPolarHBondContact OD1-CE 3.28Å; D490-K499 IonicContact OD1-NZ 2.71Å; D490-K499 PolarHBondContact OD1-NZ 2.94Å; D490-K499 IonicContact OD2-NZ 3.64Å; D490-K499 PolarHBondContact OD2-NZ 3.36Å; K499-Y508 CarbonylContact C-O 3.59Å; K499-Y508 WeakPolarHBondContact CA-O 3.19Å; K499-L509 HydrophobicContact CB-CD2 4.5Å; K499-L509 HydrophobicContact CG-CD2 3.49Å; K499-L509 VanDerWaalsContact CG-CD2 3.49Å
500	L	97.6	Very high	93.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118.9	164.3	177.8	60.6	0	0	0	109.2	L457 I478 L480 A483 A485 E507 Y508 F510 I525	L457-L500 HydrophobicContact CD2-CD2 4.01Å; I478-L500 HydrophobicContact CD1-CD2 4.48Å; I478-L500 HydrophobicContact CG2-CD2 4.16Å; L480-L500 HydrophobicContact CD2-CD1 4.34Å; L480-L500 HydrophobicContact CD2-CD2 4.09Å; A483-L500 HydrophobicContact CB-CD1 4.06Å; A485-L500 HydrophobicContact CB-CD1 4.29Å; L500-E507 WeakPolarHBondContact O-CA 3.47Å; L500-Y508 PolarHBondContact N-O 2.93Å; L500-Y508 PolarHBondContact O-N 2.68Å; L500-F510 HydrophobicContact CB-CD2 4.04Å; L500-F510 HydrophobicContact CB-CE2 3.86Å; L500-F510 HydrophobicContact CD2-CE2 3.75Å; L500-F510 HydrophobicContact CD2-CZ 4.39Å; L500-F510 HydrophobicContact CG-CE2 4.45Å; L500-I525 HydrophobicContact CD1-CG2 3.76Å
501	H	95.2	Very high	94.1	Very high	34 Å²	34	46.3 Å²	46.3	16%	0.157	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.8	173.2	-58.9	100.2	0	0	0	109.6	A483 Y484 E486 Y611	A483-H501 CarbonylContact C-O 3.53Å; A483-H501 WeakPolarHBondContact CA-O 3.42Å; A483-H501 WeakPolarHBondContact CB-O 3.23Å; Y484-H501 PolarHBondContact N-O 2.93Å; Y484-H501 PolarHBondContact O-N 3.3Å; E486-H501 IonicContact OE1-CE1 3.79Å; E486-H501 PolarHBondContact OE1-CE1 3.03Å; E486-H501 VanDerWaalsContact OE1-CE1 3.28Å; E486-H501 IonicContact OE1-ND1 2.74Å; H501-Y611 HydrophobicContact CB-CE2 3.99Å; H501-Y611 WeakPolarHBondContact CB-OH 3.38Å; H501-Y611 AromaticContact CG-CE2 3.9Å; H501-Y611 AromaticContact ND1-CE2 3.9Å
502	T	92.6	Very high	94.3	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.018	21%	0.209	C	C	.	.			trans	-103.2	161.3	178	63.8	0	0	0	0	112.1	I478 T504 Y505 A506 Y508	I478-T502 HydrophobicContact CG2-CG2 3.54Å; T502-T504 PolarHBondContact O-N 2.94Å; T502-T504 VanDerWaalsContact O-N 3.11Å; T502-T504 PolarHBondContact OG1-N 3.44Å; T502-T504 PolarHBondContact OG1-OG1 2.94Å; T502-Y505 PolarHBondContact O-N 3.26Å; T502-A506 HydrophobicContact CG2-CB 4.48Å; T502-A506 PolarHBondContact N-O 2.79Å; T502-A506 WeakPolarHBondContact OG1-CB 3.36Å; T502-A506 PolarHBondContact OG1-N 3.24Å; T502-A506 VanDerWaalsContact OG1-N 3.14Å; T502-A506 PolarHBondContact OG1-O 3.48Å; T502-Y508 HydrophobicContact CG2-CE2 4.1Å
503	Y	86.6	Confident	94.4	Very high	63 Å²	63	41.9 Å²	41.9	25%	0.247	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.1	169.8	79.9	-79.1	0	0	0	113.5	H481 Y505 L555 S557	H481-Y503 WeakPolarHBondContact O-CB 3.27Å; H481-Y503 WeakPolarHBondContact O-CD1 3.25Å; Y503-Y505 VanDerWaalsContact C-N 3.26Å; Y503-Y505 PolarHBondContact O-N 2.85Å; Y503-L555 HydrophobicContact CD2-CB 4.42Å; Y503-S557 WeakPolarHBondContact OH-CB 3.46Å
504	T	83.7	Confident	94.5	Very high	35 Å²	35	38.8 Å²	38.8	22%	0.215	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	7.4	175.1	71.6	0	0	0	0	114.4	G434 T502 A506	G434-T504 WeakPolarHBondContact CA-O 3.4Å; G434-T504 PolarHBondContact N-O 3.32Å; T502-T504 PolarHBondContact O-N 2.94Å; T502-T504 VanDerWaalsContact O-N 3.11Å; T502-T504 PolarHBondContact OG1-N 3.44Å; T502-T504 PolarHBondContact OG1-OG1 2.94Å; T504-A506 PolarHBondContact O-N 3.21Å
505	Y	84.5	Confident	94.5	Very high	51 Å²	51	37.6 Å²	37.6	20%	0.2	18%	0.184	C	C	.	.			trans	59.9	19.5	-175.2	-45.5	-67	0	0	0	115.1	V431 T502 Y503 R552	V431-Y505 VanDerWaalsContact CG1-O 3.27Å; V431-Y505 WeakPolarHBondContact CG1-O 3.38Å; T502-Y505 PolarHBondContact O-N 3.26Å; Y503-Y505 VanDerWaalsContact C-N 3.26Å; Y503-Y505 PolarHBondContact O-N 2.85Å; Y505-R552 VanDerWaalsContact CE1-NH1 3.27Å; Y505-R552 WeakPolarHBondContact OH-CB 3.16Å; Y505-R552 VanDerWaalsContact OH-CD 3.3Å; Y505-R552 WeakPolarHBondContact OH-CD 3.35Å
506	A	91.4	Very high	94.5	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.008	18%	0.181	C	C	.	.			trans	-73	138.9	162.4	0	0	0	0	0	110.1	V431 K433 T502 T504 Y508	V431-A506 CarbonylContact O-C 3.58Å; V431-A506 VanDerWaalsContact O-CA 3.24Å; V431-A506 WeakPolarHBondContact O-CA 3.44Å; V431-A506 WeakPolarHBondContact O-CB 3.45Å; K433-A506 HydrophobicContact CG-CB 4.07Å; T502-A506 HydrophobicContact CG2-CB 4.48Å; T502-A506 PolarHBondContact N-O 2.79Å; T502-A506 WeakPolarHBondContact OG1-CB 3.36Å; T502-A506 PolarHBondContact OG1-N 3.24Å; T502-A506 VanDerWaalsContact OG1-N 3.14Å; T502-A506 PolarHBondContact OG1-O 3.48Å; T504-A506 PolarHBondContact O-N 3.21Å; A506-Y508 HydrophobicContact CB-CE2 3.64Å
507	E	95	Very high	94.5	Very high	44 Å²	44	35.5 Å²	35.5	21%	0.206	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.6	-179.6	-176.3	-159.3	143.7	0	0	108.9	I430 V431 L500	I430-E507 HydrophobicContact CB-CB 4.3Å; I430-E507 HydrophobicContact CB-CG 4.16Å; I430-E507 WeakPolarHBondContact CG2-OE1 3.47Å; I430-E507 PolarHBondContact N-O 3.49Å; V431-E507 HydrophobicContact CB-CB 3.71Å; V431-E507 HydrophobicContact CG2-CB 3.81Å; V431-E507 WeakPolarHBondContact CG2-OE2 3.42Å; V431-E507 PolarHBondContact N-O 3.03Å; V431-E507 VanDerWaalsContact N-O 3.15Å; V431-E507 PolarHBondContact O-N 2.87Å; L500-E507 WeakPolarHBondContact O-CA 3.47Å
508	Y	96.4	Very high	94.5	Very high	14 Å²	14	35.3 Å²	35.3	6%	0.055	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.8	177.2	-52.8	-87.4	0	0	0	110.1	R427 K428 C429 I478 K499 L500 T502 A506 F510	R427-Y508 HydrophobicContact CG-CD1 4.19Å; K428-Y508 WeakPolarHBondContact O-CA 3.4Å; C429-Y508 HydrophobicContact CB-CD1 3.89Å; C429-Y508 HydrophobicContact CB-CE1 3.98Å; C429-Y508 VanDerWaalsContact SG-CE1 3.57Å; I478-Y508 HydrophobicContact CD1-CD1 4.34Å; I478-Y508 HydrophobicContact CD1-CD2 3.98Å; I478-Y508 HydrophobicContact CD1-CE1 4.14Å; I478-Y508 HydrophobicContact CD1-CE2 3.74Å; I478-Y508 HydrophobicContact CD1-CG 4.28Å; I478-Y508 HydrophobicContact CG1-CE2 4.26Å; I478-Y508 HydrophobicContact CG2-CE2 4.18Å; K499-Y508 CarbonylContact C-O 3.59Å; K499-Y508 WeakPolarHBondContact CA-O 3.19Å; L500-Y508 PolarHBondContact N-O 2.93Å; L500-Y508 PolarHBondContact O-N 2.68Å; T502-Y508 HydrophobicContact CG2-CE2 4.1Å; A506-Y508 HydrophobicContact CB-CE2 3.64Å; Y508-F510 HydrophobicContact CG-CE2 4.23Å
509	L	97.5	Very high	94.3	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	136.4	159.2	-64.3	173.6	0	0	0	108.7	R427 K428 I430 W445 A488 Y491 V497 F498 K499	R427-L509 CarbonylContact C-O 3.38Å; R427-L509 WeakPolarHBondContact CA-O 3.28Å; K428-L509 HydrophobicContact CB-CB 4.45Å; K428-L509 HydrophobicContact CD-CD1 4.4Å; K428-L509 PolarHBondContact N-O 2.86Å; K428-L509 PolarHBondContact O-N 2.93Å; I430-L509 HydrophobicContact CD1-CD1 3.95Å; I430-L509 HydrophobicContact CD1-CG 4.26Å; I430-L509 HydrophobicContact CG1-CD1 4.21Å; I430-L509 HydrophobicContact CG1-CG 4.01Å; W445-L509 HydrophobicContact CH2-CB 3.61Å; W445-L509 HydrophobicContact CZ2-CB 4.27Å; W445-L509 HydrophobicContact CZ2-CD1 4.47Å; W445-L509 HydrophobicContact CZ3-CB 4.19Å; W445-L509 WeakPolarHBondContact CZ3-O 3.37Å; A488-L509 HydrophobicContact CB-CD2 4.23Å; Y491-L509 HydrophobicContact CD1-CD1 4.37Å; Y491-L509 HydrophobicContact CD2-CD1 3.37Å; Y491-L509 HydrophobicContact CE1-CD1 4.42Å; Y491-L509 HydrophobicContact CE2-CD1 3.43Å; Y491-L509 VanDerWaalsContact CE2-CD1 3.43Å; Y491-L509 HydrophobicContact CG-CD1 3.86Å; V497-L509 HydrophobicContact CG1-CB 4.09Å; V497-L509 HydrophobicContact CG1-CD2 3.91Å; V497-L509 HydrophobicContact CG1-CG 4.46Å; F498-L509 WeakPolarHBondContact O-CA 3.47Å; K499-L509 HydrophobicContact CB-CD2 4.5Å; K499-L509 HydrophobicContact CG-CD2 3.49Å; K499-L509 VanDerWaalsContact CG-CD2 3.49Å
510	F	98.1	Very high	94.2	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.8	172.3	-74.7	-90.4	0	0	0	109.3	V425 M426 R427 L457 L459 I478 V497 F498 L500 Y508	V425-F510 HydrophobicContact CB-CD1 4.23Å; V425-F510 HydrophobicContact CG2-CD1 3.76Å; V425-F510 HydrophobicContact CG2-CE1 4.08Å; M426-F510 CarbonylContact O-C 3.56Å; M426-F510 VanDerWaalsContact O-CA 3.31Å; M426-F510 WeakPolarHBondContact O-CA 3.29Å; R427-F510 HydrophobicContact CB-CD1 3.95Å; R427-F510 HydrophobicContact CB-CE1 3.74Å; R427-F510 HydrophobicContact CB-CZ 4.35Å; R427-F510 HydrophobicContact CG-CD1 4.09Å; R427-F510 HydrophobicContact CG-CE1 3.63Å; R427-F510 HydrophobicContact CG-CE2 4.23Å; R427-F510 HydrophobicContact CG-CZ 3.72Å; L457-F510 HydrophobicContact CD2-CE1 4.38Å; L457-F510 HydrophobicContact CD2-CE2 4.45Å; L457-F510 HydrophobicContact CD2-CZ 3.87Å; L459-F510 HydrophobicContact CD1-CE1 4.21Å; L459-F510 HydrophobicContact CD1-CZ 4.17Å; L459-F510 HydrophobicContact CD2-CE1 3.96Å; L459-F510 HydrophobicContact CD2-CZ 4.48Å; I478-F510 HydrophobicContact CD1-CZ 4.04Å; V497-F510 CarbonylContact C-O 3.53Å; V497-F510 WeakPolarHBondContact CA-O 3.4Å; V497-F510 WeakPolarHBondContact CG1-O 3.46Å; F498-F510 HydrophobicContact CD1-CB 3.87Å; F498-F510 HydrophobicContact CD2-CB 4.03Å; F498-F510 HydrophobicContact CD2-CD2 4.3Å; F498-F510 HydrophobicContact CE1-CB 3.45Å; F498-F510 VanDerWaalsContact CE1-CB 3.45Å; F498-F510 HydrophobicContact CE1-CG 4.33Å; F498-F510 HydrophobicContact CE2-CB 3.62Å; F498-F510 AromaticContact CE2-CD2 3.69Å; F498-F510 HydrophobicContact CE2-CD2 3.69Å; F498-F510 AromaticContact CE2-CG 3.82Å; F498-F510 HydrophobicContact CE2-CG 3.82Å; F498-F510 HydrophobicContact CG-CB 4.15Å; F498-F510 HydrophobicContact CZ-CB 3.32Å; F498-F510 HydrophobicContact CZ-CD1 4.39Å; F498-F510 HydrophobicContact CZ-CD2 4.07Å; F498-F510 AromaticContact CZ-CG 3.71Å; F498-F510 HydrophobicContact CZ-CG 3.71Å; F498-F510 PolarHBondContact N-O 3.5Å; F498-F510 PolarHBondContact O-N 3.41Å; L500-F510 HydrophobicContact CB-CD2 4.04Å; L500-F510 HydrophobicContact CB-CE2 3.86Å; L500-F510 HydrophobicContact CD2-CE2 3.75Å; L500-F510 HydrophobicContact CD2-CZ 4.39Å; L500-F510 HydrophobicContact CG-CE2 4.45Å; Y508-F510 HydrophobicContact CG-CE2 4.23Å
511	Q	97.8	Very high	94.2	Very high	43 Å²	43	42.3 Å²	42.3	20%	0.201	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.4	175.2	-171.9	-133.9	-35.1	0	0	109.4	M426 W445 K494 K495 H496 V497	M426-Q511 HydrophobicContact CB-CB 4.17Å; M426-Q511 PolarHBondContact N-O 2.92Å; M426-Q511 PolarHBondContact O-N 2.96Å; W445-Q511 HydrophobicContact CH2-CB 4.09Å; W445-Q511 HydrophobicContact CZ3-CB 3.96Å; K494-Q511 HydrophobicContact CB-CG 4.42Å; K494-Q511 HydrophobicContact CD-CB 4.5Å; K494-Q511 HydrophobicContact CD-CG 4.06Å; K495-Q511 WeakPolarHBondContact O-CG 3.37Å; H496-Q511 VanDerWaalsContact O-CA 3.31Å; H496-Q511 WeakPolarHBondContact O-CA 3.29Å; V497-Q511 HydrophobicContact CG2-CB 4.06Å; V497-Q511 HydrophobicContact CG2-CG 4.01Å
512	T	96.9	Very high	94.3	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.031	22%	0.216	C	C	.	.			trans	-99.1	-178.2	173.6	57.9	0	0	0	0	110.5	V425 H496 F498 E514 E517 V518	V425-T512 HydrophobicContact CG1-CG2 4.4Å; H496-T512 WeakPolarHBondContact CB-OG1 3.37Å; H496-T512 PolarHBondContact O-N 2.82Å; H496-T512 PolarHBondContact O-OG1 2.86Å; F498-T512 HydrophobicContact CD1-CG2 4.45Å; F498-T512 HydrophobicContact CE1-CG2 4.04Å; T512-E514 PolarHBondContact OG1-O 2.99Å; T512-E517 HydrophobicContact CG2-CB 3.82Å; T512-V518 WeakPolarHBondContact OG1-CG2 3.2Å
513	S	94.2	Very high	94.4	Very high	75 Å²	75	43.4 Å²	43.4	52%	0.524	23%	0.227	S	C	.	.	S	Bend	trans	-68.8	-66.1	161.1	42.8	0	0	0	0	110.3	H496	H496-S513 PolarHBondContact CD2-O 2.96Å
514	E	95	Very high	94.8	Very high	108 Å²	108	41 Å²	41	51%	0.505	22%	0.22	S	C	.	.	S	Bend	trans	-110.6	161.9	-163.3	-70.2	-43	130.7	0	0	113.8	T512 D516 E517 V518	T512-E514 PolarHBondContact OG1-O 2.99Å; E514-D516 VanDerWaalsContact C-N 3.3Å; E514-D516 PolarHBondContact O-N 2.92Å; E514-E517 PolarHBondContact O-N 3.21Å; E514-V518 PolarHBondContact O-N 2.82Å
515	P	95.6	Very high	95.4	Very high	46 Å²	46	39.3 Å²	39.3	30%	0.299	21%	0.209	S	C	.	.	H	α-helix	trans	-66.7	-32.3	179.6	28.4	-33.5	0	0	0	112.3	H496 V518 H519	H496-P515 WeakPolarHBondContact ND1-CD 3.41Å; H496-P515 VanDerWaalsContact ND1-N 3.15Å; P515-V518 WeakPolarHBondContact O-CA 3.33Å; P515-V518 VanDerWaalsContact O-CB 3.23Å; P515-V518 WeakPolarHBondContact O-CB 3.19Å; P515-V518 PolarHBondContact O-N 2.82Å; P515-H519 PolarHBondContact O-N 2.81Å; P515-H519 VanDerWaalsContact O-N 3.11Å
516	D	96.2	Very high	95.9	Very high	124 Å²	124	37.2 Å²	37.2	66%	0.663	20%	0.202	S	C	*	.	H	α-helix	trans	-74.3	-31	-178.7	-49.9	-42.1	0	0	0	111.1	E514 V518 H519 S520	E514-D516 VanDerWaalsContact C-N 3.3Å; E514-D516 PolarHBondContact O-N 2.92Å; D516-V518 VanDerWaalsContact C-N 3.32Å; D516-V518 PolarHBondContact O-N 2.64Å; D516-H519 PolarHBondContact O-N 3.01Å; D516-S520 VanDerWaalsContact O-CB 3.32Å; D516-S520 WeakPolarHBondContact O-CB 3.31Å; D516-S520 PolarHBondContact O-N 2.58Å
517	E	96.3	Very high	96	Very high	55 Å²	55	37.2 Å²	37.2	26%	0.257	20%	0.202	S	C	.	.	H	α-helix	trans	-61.9	-37.8	165.4	-87.6	-63.5	109.5	0	0	111.7	K421 T512 E514 H519 S520 W521	K421-E517 WeakPolarHBondContact CE-OE1 3.38Å; K421-E517 WeakPolarHBondContact CE-OE2 3.37Å; K421-E517 IonicContact NZ-OE1 3.7Å; K421-E517 PolarHBondContact NZ-OE1 2.94Å; K421-E517 IonicContact NZ-OE2 3.92Å; K421-E517 PolarHBondContact NZ-OE2 2.82Å; T512-E517 HydrophobicContact CG2-CB 3.82Å; E514-E517 PolarHBondContact O-N 3.21Å; E517-H519 VanDerWaalsContact C-N 3.33Å; E517-H519 PolarHBondContact O-N 3.4Å; E517-S520 PolarHBondContact O-N 3.1Å; E517-W521 WeakPolarHBondContact O-CB 3.37Å; E517-W521 PolarHBondContact O-N 3.04Å; E517-W521 VanDerWaalsContact OE2-CD1 3.23Å; E517-W521 PolarHBondContact OE2-NE1 3.03Å
518	V	97.2	Very high	96	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.03	19%	0.192	C	C	.	.	H	α-helix	trans	-60.2	-46.4	173.8	-171.9	0	0	0	0	110.1	R487 H496 F498 T512 E514 P515 D516 V522	R487-V518 HydrophobicContact CG-CG1 4.4Å; H496-V518 VanDerWaalsContact C-CG2 3.49Å; H496-V518 HydrophobicContact CB-CG2 3.79Å; F498-V518 HydrophobicContact CB-CG1 3.88Å; F498-V518 HydrophobicContact CD1-CG1 4.2Å; T512-V518 WeakPolarHBondContact OG1-CG2 3.2Å; E514-V518 PolarHBondContact O-N 2.82Å; P515-V518 WeakPolarHBondContact O-CA 3.33Å; P515-V518 VanDerWaalsContact O-CB 3.23Å; P515-V518 WeakPolarHBondContact O-CB 3.19Å; P515-V518 PolarHBondContact O-N 2.82Å; D516-V518 VanDerWaalsContact C-N 3.32Å; D516-V518 PolarHBondContact O-N 2.64Å; V518-V522 HydrophobicContact CG1-CG2 4.4Å; V518-V522 WeakPolarHBondContact O-CB 3.41Å; V518-V522 WeakPolarHBondContact O-CG2 3.43Å; V518-V522 PolarHBondContact O-N 2.78Å
519	H	95.9	Very high	95.9	Very high	128 Å²	128	34.6 Å²	34.6	59%	0.593	19%	0.19	S	C	*	.	H	α-helix	trans	-62.6	-51.9	177.6	-178.8	78.3	0	0	0	111	P515 D516 E517 W521 V522 T523	P515-H519 PolarHBondContact O-N 2.81Å; P515-H519 VanDerWaalsContact O-N 3.11Å; D516-H519 PolarHBondContact O-N 3.01Å; E517-H519 VanDerWaalsContact C-N 3.33Å; E517-H519 PolarHBondContact O-N 3.4Å; H519-W521 PolarHBondContact O-N 3.09Å; H519-V522 PolarHBondContact O-N 3.25Å; H519-V522 VanDerWaalsContact O-N 3.12Å; H519-T523 PolarHBondContact CE1-OG1 3.43Å; H519-T523 PolarHBondContact NE2-OG1 3.36Å; H519-T523 WeakPolarHBondContact O-CB 3.46Å; H519-T523 PolarHBondContact O-N 3.22Å; H519-T523 PolarHBondContact O-OG1 3.45Å; H519-T523 VanDerWaalsContact O-OG1 3.1Å
520	S	94.6	Very high	95.7	Very high	47 Å²	47	34.3 Å²	34.3	33%	0.329	19%	0.189	S	C	.	.	H	α-helix	trans	-58.6	-41.9	-179.1	-173.3	0	0	0	0	112.8	K421 D516 E517 A524	K421-S520 VanDerWaalsContact CE-OG 3.32Å; K421-S520 WeakPolarHBondContact CE-OG 3.21Å; K421-S520 PolarHBondContact NZ-OG 3.13Å; D516-S520 VanDerWaalsContact O-CB 3.32Å; D516-S520 WeakPolarHBondContact O-CB 3.31Å; D516-S520 PolarHBondContact O-N 2.58Å; E517-S520 PolarHBondContact O-N 3.1Å; S520-A524 VanDerWaalsContact O-CB 3.25Å; S520-A524 WeakPolarHBondContact O-CB 3.38Å; S520-A524 PolarHBondContact O-N 2.83Å
521	W	97.2	Very high	95.4	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-67.2	-41.7	173.5	-82.8	105.4	0	0	0	113.2	K421 V425 A450 L452 L457 F498 E517 H519 I525	K421-W521 HydrophobicContact CB-CE3 4.43Å; K421-W521 HydrophobicContact CB-CH2 4.34Å; K421-W521 HydrophobicContact CB-CZ3 4.16Å; K421-W521 HydrophobicContact CD-CD2 3.64Å; K421-W521 HydrophobicContact CD-CE3 3.97Å; K421-W521 HydrophobicContact CD-CG 3.89Å; K421-W521 HydrophobicContact CD-CZ2 4.29Å; K421-W521 HydrophobicContact CD-CZ3 4.41Å; K421-W521 VanDerWaalsContact CE-NE1 3.28Å; K421-W521 HydrophobicContact CG-CD2 4.24Å; K421-W521 HydrophobicContact CG-CE3 4.3Å; K421-W521 HydrophobicContact CG-CH2 4.12Å; K421-W521 HydrophobicContact CG-CZ2 4.05Å; K421-W521 HydrophobicContact CG-CZ3 4.23Å; V425-W521 HydrophobicContact CG1-CZ2 4.2Å; A450-W521 HydrophobicContact CB-CH2 3.47Å; A450-W521 VanDerWaalsContact CB-CH2 3.47Å; A450-W521 HydrophobicContact CB-CZ2 3.92Å; A450-W521 HydrophobicContact CB-CZ3 4.17Å; L452-W521 HydrophobicContact CB-CZ3 4.39Å; L457-W521 HydrophobicContact CD1-CH2 4.4Å; L457-W521 HydrophobicContact CD1-CZ3 3.75Å; F498-W521 HydrophobicContact CD1-CB 4.3Å; F498-W521 HydrophobicContact CE1-CB 3.52Å; F498-W521 AromaticContact CE1-CG 3.93Å; F498-W521 HydrophobicContact CE1-CG 3.93Å; F498-W521 HydrophobicContact CE2-CB 4.44Å; F498-W521 HydrophobicContact CZ-CB 3.61Å; F498-W521 HydrophobicContact CZ-CD2 4.49Å; F498-W521 HydrophobicContact CZ-CG 4.01Å; E517-W521 WeakPolarHBondContact O-CB 3.37Å; E517-W521 PolarHBondContact O-N 3.04Å; E517-W521 VanDerWaalsContact OE2-CD1 3.23Å; E517-W521 PolarHBondContact OE2-NE1 3.03Å; H519-W521 PolarHBondContact O-N 3.09Å; W521-I525 HydrophobicContact CE3-CD1 4.34Å; W521-I525 VanDerWaalsContact O-CB 3.31Å; W521-I525 WeakPolarHBondContact O-CB 3.45Å; W521-I525 WeakPolarHBondContact O-CD1 3.43Å; W521-I525 VanDerWaalsContact O-CG1 3.24Å; W521-I525 WeakPolarHBondContact O-CG1 3.22Å; W521-I525 PolarHBondContact O-N 3.11Å; W521-I525 VanDerWaalsContact O-N 3.09Å
522	V	97	Very high	95.1	Very high	21 Å²	21	32.5 Å²	32.5	13%	0.127	18%	0.18	C	C	.	.	H	α-helix	trans	-63.2	-47.6	177.3	167.3	0	0	0	0	110.7	A485 F498 V518 H519 N526	A485-V522 HydrophobicContact CB-CB 4.3Å; A485-V522 HydrophobicContact CB-CG1 4.22Å; A485-V522 HydrophobicContact CB-CG2 4.07Å; F498-V522 HydrophobicContact CB-CG2 3.66Å; F498-V522 HydrophobicContact CD2-CG2 4.34Å; F498-V522 HydrophobicContact CG-CG2 4.03Å; V518-V522 HydrophobicContact CG1-CG2 4.4Å; V518-V522 WeakPolarHBondContact O-CB 3.41Å; V518-V522 WeakPolarHBondContact O-CG2 3.43Å; V518-V522 PolarHBondContact O-N 2.78Å; H519-V522 PolarHBondContact O-N 3.25Å; H519-V522 VanDerWaalsContact O-N 3.12Å; V522-N526 VanDerWaalsContact O-CB 3.27Å; V522-N526 WeakPolarHBondContact O-CB 3.28Å; V522-N526 PolarHBondContact O-N 3.26Å; V522-N526 PolarHBondContact O-ND2 2.97Å
523	T	94.7	Very high	94.8	Very high	39 Å²	39	32.3 Å²	32.3	24%	0.239	18%	0.179	C	C	.	.	H	α-helix	trans	-64.2	-47.9	179.8	-61.3	0	0	0	0	111.6	H519 I525 N526 C527 L622	H519-T523 PolarHBondContact CE1-OG1 3.43Å; H519-T523 PolarHBondContact NE2-OG1 3.36Å; H519-T523 WeakPolarHBondContact O-CB 3.46Å; H519-T523 PolarHBondContact O-N 3.22Å; H519-T523 PolarHBondContact O-OG1 3.45Å; H519-T523 VanDerWaalsContact O-OG1 3.1Å; T523-I525 PolarHBondContact O-N 3.1Å; T523-N526 PolarHBondContact O-N 3.3Å; T523-C527 VanDerWaalsContact O-CB 3.25Å; T523-C527 WeakPolarHBondContact O-CB 3.41Å; T523-C527 PolarHBondContact O-N 3.45Å; T523-L622 HydrophobicContact CG2-CD2 4.06Å
524	A	94.8	Very high	94.5	Very high	11 Å²	11	29.5 Å²	29.5	9%	0.091	16%	0.159	C	C	.	.	H	α-helix	trans	-62.8	-42.4	178.8	0	0	0	0	0	112.8	K421 L452 S520 S528	K421-A524 HydrophobicContact CB-CB 4.06Å; K421-A524 HydrophobicContact CD-CB 4.38Å; L452-A524 HydrophobicContact CD2-CB 4.11Å; S520-A524 VanDerWaalsContact O-CB 3.25Å; S520-A524 WeakPolarHBondContact O-CB 3.38Å; S520-A524 PolarHBondContact O-N 2.83Å; A524-S528 WeakPolarHBondContact O-CB 3.32Å; A524-S528 PolarHBondContact O-N 3.22Å; A524-S528 VanDerWaalsContact O-N 3.08Å
525	I	96.7	Very high	94	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.2	-48.3	176.4	-73.1	169.9	0	0	0	111.1	L452 L457 L480 A485 F498 L500 W521 T523 A529	L452-I525 HydrophobicContact CD2-CG1 4.22Å; L457-I525 HydrophobicContact CD2-CD1 4.36Å; L480-I525 HydrophobicContact CD1-CB 4.44Å; L480-I525 HydrophobicContact CD1-CG1 4.15Å; L480-I525 HydrophobicContact CD1-CG2 4.15Å; L480-I525 HydrophobicContact CD2-CG2 4.29Å; A485-I525 HydrophobicContact CB-CB 4.21Å; A485-I525 HydrophobicContact CB-CG2 3.86Å; F498-I525 HydrophobicContact CE2-CD1 3.82Å; F498-I525 HydrophobicContact CZ-CD1 4.25Å; L500-I525 HydrophobicContact CD1-CG2 3.76Å; W521-I525 HydrophobicContact CE3-CD1 4.34Å; W521-I525 VanDerWaalsContact O-CB 3.31Å; W521-I525 WeakPolarHBondContact O-CB 3.45Å; W521-I525 WeakPolarHBondContact O-CD1 3.43Å; W521-I525 VanDerWaalsContact O-CG1 3.24Å; W521-I525 WeakPolarHBondContact O-CG1 3.22Å; W521-I525 PolarHBondContact O-N 3.11Å; W521-I525 VanDerWaalsContact O-N 3.09Å; T523-I525 PolarHBondContact O-N 3.1Å; I525-A529 WeakPolarHBondContact O-CB 3.35Å; I525-A529 PolarHBondContact O-N 3.28Å
526	N	96.2	Very high	92.9	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.037	15%	0.154	C	C	.	.	H	α-helix	trans	-69.3	-35	-177.9	-74.9	-19.9	0	0	0	112	A485 V522 T523 A529 A530 L622	A485-N526 PolarHBondContact N-OD1 2.85Å; A485-N526 PolarHBondContact O-ND2 3.01Å; V522-N526 VanDerWaalsContact O-CB 3.27Å; V522-N526 WeakPolarHBondContact O-CB 3.28Å; V522-N526 PolarHBondContact O-N 3.26Å; V522-N526 PolarHBondContact O-ND2 2.97Å; T523-N526 PolarHBondContact O-N 3.3Å; N526-A529 PolarHBondContact O-N 3.29Å; N526-A530 WeakPolarHBondContact O-CB 3.32Å; N526-A530 PolarHBondContact O-N 3.48Å; N526-L622 HydrophobicContact CB-CD1 3.42Å; N526-L622 VanDerWaalsContact CB-CD1 3.42Å
527	C	93.6	Very high	91.2	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-67.7	-46.2	175.3	-179.4	0	0	0	0	111.9	C319 T523 A529 A530 C531	C319-C527 HydrophobicContact CB-CB 3.8Å; C319-C527 WeakPolarHBondContact CB-SG 3.28Å; C319-C527 WeakPolarHBondContact SG-CB 3.18Å; C319-C527 CovalentContact SG-SG 2.03Å; C319-C527 PolarHBondContact SG-SG 3.17Å; T523-C527 VanDerWaalsContact O-CB 3.25Å; T523-C527 WeakPolarHBondContact O-CB 3.41Å; T523-C527 PolarHBondContact O-N 3.45Å; C527-A529 VanDerWaalsContact C-N 3.27Å; C527-A529 PolarHBondContact O-N 2.79Å; C527-A530 PolarHBondContact O-N 2.67Å; C527-C531 WeakPolarHBondContact O-CB 3.29Å; C527-C531 PolarHBondContact O-N 3.15Å; C527-C531 PolarHBondContact O-SG 2.85Å; C527-C531 VanDerWaalsContact SG-SG 3.64Å
528	S	93.4	Very high	88.5	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-56.9	-42.7	173	176.8	0	0	0	0	111	G454 A524 F532	G454-S528 PolarHBondContact O-OG 3.3Å; G454-S528 VanDerWaalsContact O-OG 3.04Å; A524-S528 WeakPolarHBondContact O-CB 3.32Å; A524-S528 PolarHBondContact O-N 3.22Å; A524-S528 VanDerWaalsContact O-N 3.08Å; S528-F532 WeakPolarHBondContact O-CB 3.43Å; S528-F532 WeakPolarHBondContact O-CD2 3.42Å; S528-F532 PolarHBondContact O-N 3.26Å; S528-F532 VanDerWaalsContact O-N 3.09Å
529	A	94.5	Very high	85.9	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-68.2	-40.4	176	0	0	0	0	0	113.2	L480 A483 I525 N526 C527 S533 Y619	L480-A529 WeakPolarHBondContact O-CB 3.5Å; A483-A529 WeakPolarHBondContact O-CB 3.14Å; I525-A529 WeakPolarHBondContact O-CB 3.35Å; I525-A529 PolarHBondContact O-N 3.28Å; N526-A529 PolarHBondContact O-N 3.29Å; C527-A529 VanDerWaalsContact C-N 3.27Å; C527-A529 PolarHBondContact O-N 2.79Å; A529-S533 WeakPolarHBondContact O-CB 3.35Å; A529-S533 PolarHBondContact O-N 3.14Å; A529-S533 VanDerWaalsContact O-N 3.13Å; A529-S533 PolarHBondContact O-OG 3.38Å; A529-Y619 HydrophobicContact CB-CE1 3.95Å; A529-Y619 VanDerWaalsContact CB-OH 3.28Å; A529-Y619 WeakPolarHBondContact CB-OH 3.4Å
530	A	94.2	Very high	83.3	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.9	-47.4	179.6	0	0	0	0	0	112.1	N526 C527 Q567 H571 Y619 L623	N526-A530 WeakPolarHBondContact O-CB 3.32Å; N526-A530 PolarHBondContact O-N 3.48Å; C527-A530 PolarHBondContact O-N 2.67Å; A530-Q567 WeakPolarHBondContact O-CG 3.17Å; A530-Q567 PolarHBondContact O-NE2 3.03Å; A530-H571 PolarHBondContact O-NE2 3.38Å; A530-Y619 HydrophobicContact CB-CD1 3.75Å; A530-Y619 HydrophobicContact CB-CD2 4.25Å; A530-Y619 HydrophobicContact CB-CE1 4.4Å; A530-Y619 HydrophobicContact CB-CG 3.66Å; A530-L623 HydrophobicContact CB-CD1 4.5Å; A530-L623 HydrophobicContact CB-CG 4.25Å
531	C	91.2	Very high	81.1	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.007	22%	0.215	C	C	.	.	H	α-helix	trans	-66.4	-43.1	179.5	-63.2	0	0	0	0	111.9	C527 T560 L564 Q567	C527-C531 WeakPolarHBondContact O-CB 3.29Å; C527-C531 PolarHBondContact O-N 3.15Å; C527-C531 PolarHBondContact O-SG 2.85Å; C527-C531 VanDerWaalsContact SG-SG 3.64Å; C531-T560 WeakPolarHBondContact O-CG2 3.41Å; C531-L564 HydrophobicContact CB-CD2 4.04Å; C531-Q567 PolarHBondContact O-NE2 2.92Å
532	F	90.9	Very high	78.9	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.018	24%	0.24	C	C	.	.	H	α-helix	trans	-112.6	-2.1	-161.4	-51.5	-53.7	0	0	0	115.6	L278 Y420 T455 H481 S528 S534 T559 T560	L278-F532 HydrophobicContact CD2-CB 4.42Å; L278-F532 HydrophobicContact CD2-CD1 3.88Å; L278-F532 HydrophobicContact CD2-CD2 3.4Å; L278-F532 HydrophobicContact CD2-CE1 3.96Å; L278-F532 HydrophobicContact CD2-CE2 3.49Å; L278-F532 VanDerWaalsContact CD2-CE2 3.49Å; L278-F532 HydrophobicContact CD2-CG 3.62Å; L278-F532 HydrophobicContact CD2-CZ 3.78Å; L278-F532 HydrophobicContact CG-CD1 4.4Å; L278-F532 HydrophobicContact CG-CE1 4.46Å; Y420-F532 HydrophobicContact CE1-CE2 4.12Å; Y420-F532 AromaticContact CZ-CE2 3.75Å; Y420-F532 WeakPolarHBondContact OH-CE2 3.18Å; Y420-F532 WeakPolarHBondContact OH-CZ 3.18Å; T455-F532 HydrophobicContact CG2-CB 3.54Å; T455-F532 HydrophobicContact CG2-CD2 4.16Å; T455-F532 HydrophobicContact CG2-CG 4.15Å; H481-F532 PolarHBondContact ND1-O 3.11Å; S528-F532 WeakPolarHBondContact O-CB 3.43Å; S528-F532 WeakPolarHBondContact O-CD2 3.42Å; S528-F532 PolarHBondContact O-N 3.26Å; S528-F532 VanDerWaalsContact O-N 3.09Å; F532-S534 PolarHBondContact O-N 2.91Å; F532-T559 HydrophobicContact CB-CG2 4.24Å; F532-T559 HydrophobicContact CD1-CG2 4.42Å; F532-T559 VanDerWaalsContact O-CA 3.29Å; F532-T559 WeakPolarHBondContact O-CA 3.31Å; F532-T560 PolarHBondContact O-N 2.97Å; F532-T560 VanDerWaalsContact O-N 3.11Å
533	S	91.9	Very high	76.6	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.007	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-75.4	115.7	173	-58.3	0	0	0	0	111.2	H482 A529 Q567	H482-S533 PolarHBondContact N-OG 3.5Å; A529-S533 WeakPolarHBondContact O-CB 3.35Å; A529-S533 PolarHBondContact O-N 3.14Å; A529-S533 VanDerWaalsContact O-N 3.13Å; A529-S533 PolarHBondContact O-OG 3.38Å; S533-Q567 PolarHBondContact O-NE2 3.48Å
534	S	87.9	Confident	74.4	Confident	16 Å²	16	49.8 Å²	49.8	11%	0.112	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-59	146.5	174.3	43.4	0	0	0	0	112.3	H482 F532 P556 V558	H482-S534 PolarHBondContact CE1-O 2.89Å; H482-S534 PolarHBondContact NE2-O 2.85Å; F532-S534 PolarHBondContact O-N 2.91Å; S534-P556 WeakPolarHBondContact OG-CB 3.47Å; S534-P556 WeakPolarHBondContact OG-CG 3.43Å; S534-V558 VanDerWaalsContact CB-O 3.27Å; S534-V558 WeakPolarHBondContact CB-O 3.44Å; S534-V558 PolarHBondContact N-O 3.28Å; S534-V558 PolarHBondContact OG-O 3.15Å
535	P	83.2	Confident	72.5	Confident	54 Å²	54	51 Å²	51	35%	0.351	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-54.1	147.5	174.1	-27	34.1	0	0	0	112.6	P537 L562	P535-P537 WeakPolarHBondContact O-CD 3.32Å; P535-L562 HydrophobicContact CG-CD1 3.59Å; P535-L562 HydrophobicContact CG-CG 4.38Å
536	K	72.9	Confident	70.8	Confident	77 Å²	77	61.4 Å²	61.4	34%	0.335	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-58	126.3	179.4	174	-167.6	151.6	-150.1	0	110.5	I538 P553 L555	K536-I538 PolarHBondContact O-N 2.8Å; K536-P553 HydrophobicContact CD-CB 4.49Å; K536-L555 HydrophobicContact CB-CD2 4.37Å; K536-L555 HydrophobicContact CG-CD2 4.35Å
537	P	59.8	Low	69.2	Low	62 Å²	62	66 Å²	66	40%	0.403	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-56.2	133.3	174.5	-27.9	35.3	0	0	0	112.8	P535 G539 P556	P535-P537 WeakPolarHBondContact O-CD 3.32Å; P537-G539 PolarHBondContact O-N 2.93Å; P537-P556 HydrophobicContact CG-CB 4.41Å; P537-P556 HydrophobicContact CG-CG 4.47Å
538	I	40.9	Very low	67.9	Low	177 Å²	177	66.6 Å²	66.6	91%	0.908	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	117.8	174.8	-58	172.2	0	0	0	108.2	K536	K536-I538 PolarHBondContact O-N 2.8Å
539	G	41.8	Very low	66.7	Low	71 Å²	71	70.3 Å²	70.3	73%	0.732	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.1	-16.6	163.1	0	0	0	0	0	118.8	P537 S541	P537-G539 PolarHBondContact O-N 2.93Å; G539-S541 PolarHBondContact O-N 2.85Å; G539-S541 VanDerWaalsContact O-N 3.13Å
540	V	42.9	Very low	65.6	Low	86 Å²	86	71.7 Å²	71.7	52%	0.521	38%	0.384	S	S	.	.			trans	-88.4	87.4	-171.9	-167	0	0	0	0	113.4	L554	V540-L554 HydrophobicContact CG1-CD1 4.15Å
541	S	46.4	Very low	64.4	Low	84 Å²	84	73.9 Å²	73.9	59%	0.587	40%	0.4	S	S	*	.			trans	-98.1	80.5	167.5	177.7	0	0	0	0	111.3	G539 E543	G539-S541 PolarHBondContact O-N 2.85Å; G539-S541 VanDerWaalsContact O-N 3.13Å; S541-E543 PolarHBondContact O-N 3.25Å
542	L	51.4	Low	63.4	Low	101 Å²	101	75.8 Å²	75.8	53%	0.529	41%	0.407	S	S	.	.			trans	-79.8	113.9	174.1	-170.1	70.5	0	0	0	110.3	N544 L554	L542-N544 PolarHBondContact O-N 3.4Å; L542-N544 VanDerWaalsContact O-N 3.11Å; L542-L554 HydrophobicContact CB-CD1 3.87Å; L542-L554 HydrophobicContact CB-CG 4.41Å; L542-L554 HydrophobicContact CD2-CD1 4.09Å
543	E	48.8	Very low	62.5	Low	152 Å²	152	77.1 Å²	77.1	71%	0.71	42%	0.416	S	S	*	.			trans	-69.9	-10.1	-170.9	-56	-162.3	115.3	0	0	115.3	S541 N545	S541-E543 PolarHBondContact O-N 3.25Å; E543-N545 VanDerWaalsContact C-N 3.31Å; E543-N545 PolarHBondContact O-N 3.1Å
544	N	49.1	Very low	61.6	Low	138 Å²	138	81.6 Å²	81.6	74%	0.738	44%	0.439	S	S	*	.			trans	-84.4	46.8	-168.4	-96.7	-32.9	0	0	0	115.6	L542 R546	L542-N544 PolarHBondContact O-N 3.4Å; L542-N544 VanDerWaalsContact O-N 3.11Å; N544-R546 PolarHBondContact O-N 3.45Å
545	N	55.9	Low	61.2	Low	37 Å²	37	81.8 Å²	81.8	20%	0.198	44%	0.439	C	S	.	.			trans	-89.5	91.2	166.2	-170.4	-11.5	0	0	0	111.4	E543 F547 S548	E543-N545 VanDerWaalsContact C-N 3.31Å; E543-N545 PolarHBondContact O-N 3.1Å; N545-F547 PolarHBondContact O-N 2.89Å; N545-F547 PolarHBondContact OD1-N 2.82Å; N545-F547 VanDerWaalsContact OD1-N 3.08Å; N545-S548 WeakPolarHBondContact ND2-CB 3.26Å; N545-S548 PolarHBondContact O-N 2.84Å; N545-S548 VanDerWaalsContact O-O 3.09Å
546	R	60	Low	61.2	Low	217 Å²	217	80.2 Å²	80.2	82%	0.819	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-2.4	179.3	-76.3	-172.3	-85.8	-177.1	-8.8	115.7	N544	N544-R546 PolarHBondContact O-N 3.45Å
547	F	61.7	Low	61.7	Low	104 Å²	104	79.8 Å²	79.8	46%	0.456	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	9.2	-177.6	-48.7	-66.9	0	0	0	113.3	G434 K436 N545	G434-F547 WeakPolarHBondContact O-CB 3.4Å; G434-F547 WeakPolarHBondContact O-CD2 3.42Å; G434-F547 VanDerWaalsContact O-CG 3.28Å; G434-F547 WeakPolarHBondContact O-CG 3.4Å; K436-F547 HydrophobicContact CD-CE1 4.33Å; K436-F547 HydrophobicContact CD-CZ 4.41Å; K436-F547 HydrophobicContact CG-CD1 4.12Å; K436-F547 HydrophobicContact CG-CE1 4.07Å; K436-F547 HydrophobicContact CG-CZ 4.42Å; N545-F547 PolarHBondContact O-N 2.89Å; N545-F547 PolarHBondContact OD1-N 2.82Å; N545-F547 VanDerWaalsContact OD1-N 3.08Å
548	S	67.9	Low	62.8	Low	15 Å²	15	81.3 Å²	81.3	11%	0.105	44%	0.443	C	S	.	.			trans	-130.5	136.3	175.3	177.1	0	0	0	0	108.9	N545 F550 R552 E604	N545-S548 WeakPolarHBondContact ND2-CB 3.26Å; N545-S548 PolarHBondContact O-N 2.84Å; N545-S548 VanDerWaalsContact O-O 3.09Å; S548-F550 WeakPolarHBondContact CB-O 3.49Å; S548-F550 PolarHBondContact O-N 2.81Å; S548-F550 WeakPolarHBondContact OG-CD1 3.5Å; S548-F550 PolarHBondContact OG-N 2.93Å; S548-F550 PolarHBondContact OG-O 2.73Å; S548-R552 WeakPolarHBondContact OG-CG 3.42Å; S548-R552 PolarHBondContact OG-NE 3.28Å; S548-E604 VanDerWaalsContact CA-OE1 3.31Å; S548-E604 WeakPolarHBondContact CA-OE1 3.45Å; S548-E604 PolarHBondContact OG-OE1 3.29Å; S548-E604 VanDerWaalsContact OG-OE1 3.11Å
549	L	67.5	Low	65	Low	78 Å²	78	74.6 Å²	74.6	41%	0.408	41%	0.411	S	S	.	.	S	Bend	trans	-75.7	-16.3	179.5	-55	172.2	0	0	0	111.7	L600 K601 E604	L549-L600 HydrophobicContact CD1-CB 3.43Å; L549-L600 VanDerWaalsContact CD1-CB 3.43Å; L549-L600 HydrophobicContact CD1-CD1 4.45Å; L549-K601 HydrophobicContact CB-CB 4.48Å; L549-K601 HydrophobicContact CB-CG 3.51Å; L549-K601 WeakPolarHBondContact O-CE 3.49Å; L549-K601 WeakPolarHBondContact O-CG 3.49Å; L549-K601 PolarHBondContact O-NZ 2.93Å; L549-E604 WeakPolarHBondContact CA-OE2 3.32Å; L549-E604 WeakPolarHBondContact CB-OE2 3.47Å; L549-E604 VanDerWaalsContact CG-OE2 3.32Å; L549-E604 WeakPolarHBondContact CG-OE2 3.28Å; L549-E604 PolarHBondContact N-OE2 2.91Å
550	F	70.8	Confident	67.1	Low	30 Å²	30	71.9 Å²	71.9	13%	0.132	38%	0.38	C	S	.	.	S	Bend	trans	-119	151.6	172.7	73.7	-78.4	0	0	0	111.7	S548 R552 E604 K605 Y608	S548-F550 WeakPolarHBondContact CB-O 3.49Å; S548-F550 PolarHBondContact O-N 2.81Å; S548-F550 WeakPolarHBondContact OG-CD1 3.5Å; S548-F550 PolarHBondContact OG-N 2.93Å; S548-F550 PolarHBondContact OG-O 2.73Å; F550-R552 HydrophobicContact CD2-CG 4.25Å; F550-R552 HydrophobicContact CE1-CG 4.21Å; F550-R552 HydrophobicContact CE2-CB 4.49Å; F550-R552 HydrophobicContact CE2-CG 3.66Å; F550-R552 HydrophobicContact CZ-CG 3.61Å; F550-R552 PolarHBondContact O-N 2.81Å; F550-R552 VanDerWaalsContact O-N 3.11Å; F550-E604 HydrophobicContact CD1-CB 4.24Å; F550-E604 HydrophobicContact CD1-CG 4.24Å; F550-E604 HydrophobicContact CE1-CB 4.17Å; F550-E604 HydrophobicContact CE1-CG 3.89Å; F550-K605 HydrophobicContact CD1-CB 4.04Å; F550-K605 HydrophobicContact CD2-CB 4.28Å; F550-K605 HydrophobicContact CD2-CG 4.11Å; F550-K605 HydrophobicContact CE1-CB 4.17Å; F550-K605 HydrophobicContact CE2-CB 4.37Å; F550-K605 HydrophobicContact CE2-CG 4.11Å; F550-K605 HydrophobicContact CG-CB 4.12Å; F550-K605 HydrophobicContact CG-CG 4.42Å; F550-K605 HydrophobicContact CZ-CB 4.33Å; F550-K605 HydrophobicContact CZ-CG 4.46Å; F550-Y608 AromaticContact CE2-CD1 3.67Å; F550-Y608 HydrophobicContact CE2-CD1 3.67Å; F550-Y608 HydrophobicContact CE2-CE1 4.17Å; F550-Y608 HydrophobicContact CE2-CG 4.19Å; F550-Y608 AromaticContact CZ-CD1 3.54Å; F550-Y608 HydrophobicContact CZ-CD1 3.54Å; F550-Y608 HydrophobicContact CZ-CD2 4.43Å; F550-Y608 HydrophobicContact CZ-CE1 4.38Å; F550-Y608 AromaticContact CZ-CG 3.58Å; F550-Y608 HydrophobicContact CZ-CG 3.58Å
551	S	70	Confident	69.1	Low	47 Å²	47	77.6 Å²	77.6	33%	0.329	40%	0.398	S	S	.	.			trans	-63.9	109.6	175.6	-50.3	0	0	0	0	109.9
552	R	70.2	Confident	70.9	Confident	41 Å²	41	77 Å²	77	16%	0.155	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-87.4	143.5	175.6	-59	-170.1	-176.9	-155.4	-0.7	109.9	Y505 S548 F550 E604	Y505-R552 VanDerWaalsContact CE1-NH1 3.27Å; Y505-R552 WeakPolarHBondContact OH-CB 3.16Å; Y505-R552 VanDerWaalsContact OH-CD 3.3Å; Y505-R552 WeakPolarHBondContact OH-CD 3.35Å; S548-R552 WeakPolarHBondContact OG-CG 3.42Å; S548-R552 PolarHBondContact OG-NE 3.28Å; F550-R552 HydrophobicContact CD2-CG 4.25Å; F550-R552 HydrophobicContact CE1-CG 4.21Å; F550-R552 HydrophobicContact CE2-CB 4.49Å; F550-R552 HydrophobicContact CE2-CG 3.66Å; F550-R552 HydrophobicContact CZ-CG 3.61Å; F550-R552 PolarHBondContact O-N 2.81Å; F550-R552 VanDerWaalsContact O-N 3.11Å; R552-E604 IonicContact CZ-OE1 2.8Å; R552-E604 IonicContact NE-OE1 3.37Å; R552-E604 IonicContact NH2-OE1 3.31Å; R552-E604 PolarHBondContact NH2-OE1 2.88Å
553	P	71.8	Confident	72.4	Confident	31 Å²	31	74.6 Å²	74.6	20%	0.201	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-56.1	141.6	172.4	-23	33.4	0	0	0	111.8	K536 Y608	K536-P553 HydrophobicContact CD-CB 4.49Å; P553-Y608 WeakPolarHBondContact CD-OH 3.48Å
554	L	72.4	Confident	74.1	Confident	95 Å²	95	68.5 Å²	68.5	50%	0.497	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-75.7	131	160.8	-64.6	179.7	0	0	0	108.3	V540 L542	V540-L554 HydrophobicContact CG1-CD1 4.15Å; L542-L554 HydrophobicContact CB-CD1 3.87Å; L542-L554 HydrophobicContact CB-CG 4.41Å; L542-L554 HydrophobicContact CD2-CD1 4.09Å
555	L	80.6	Confident	75.8	Confident	20 Å²	20	63.9 Å²	63.9	11%	0.105	33%	0.33	C	S	.	.			trans	-104.6	141	175.2	-66.6	175.1	0	0	0	109.4	H482 Y503 K536	H482-L555 HydrophobicContact CB-CD1 3.78Å; Y503-L555 HydrophobicContact CD2-CB 4.42Å; K536-L555 HydrophobicContact CB-CD2 4.37Å; K536-L555 HydrophobicContact CG-CD2 4.35Å
556	P	83.1	Confident	77.4	Confident	21 Å²	21	65.4 Å²	65.4	14%	0.136	34%	0.338	C	S	.	.			trans	-71.1	156	-178.6	32.1	-36.5	0	0	0	111.3	H482 S534 P537	H482-P556 PolarHBondContact CD2-O 3.13Å; H482-P556 WeakPolarHBondContact NE2-CD 3.38Å; H482-P556 PolarHBondContact NE2-O 2.86Å; S534-P556 WeakPolarHBondContact OG-CB 3.47Å; S534-P556 WeakPolarHBondContact OG-CG 3.43Å; P537-P556 HydrophobicContact CG-CB 4.41Å; P537-P556 HydrophobicContact CG-CG 4.47Å
557	S	82.6	Confident	78.8	Confident	69 Å²	69	55.1 Å²	55.1	48%	0.483	30%	0.299	S	S	.	.			trans	-118	47.4	171.4	62.9	0	0	0	0	110.3	Y503	Y503-S557 WeakPolarHBondContact OH-CB 3.46Å
558	V	82.9	Confident	80.3	Confident	93 Å²	93	51.2 Å²	51.2	56%	0.564	28%	0.283	S	S	*	.	S	Bend	trans	-126	142.3	-176.4	-174.1	0	0	0	0	108.3	H481 S534	H481-V558 VanDerWaalsContact CE1-C 3.49Å; H481-V558 PolarHBondContact ND1-O 2.91Å; S534-V558 VanDerWaalsContact CB-O 3.27Å; S534-V558 WeakPolarHBondContact CB-O 3.44Å; S534-V558 PolarHBondContact N-O 3.28Å; S534-V558 PolarHBondContact OG-O 3.15Å
559	T	86.3	Confident	81.4	Confident	37 Å²	37	55 Å²	55	23%	0.227	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-63.3	140.7	174.8	-53.9	0	0	0	0	111	L278 F532	L278-T559 HydrophobicContact CD1-CG2 3.98Å; F532-T559 HydrophobicContact CB-CG2 4.24Å; F532-T559 HydrophobicContact CD1-CG2 4.42Å; F532-T559 VanDerWaalsContact O-CA 3.29Å; F532-T559 WeakPolarHBondContact O-CA 3.31Å
560	T	87.5	Confident	82.7	Confident	14 Å²	14	52.9 Å²	52.9	9%	0.086	29%	0.289	C	S	.	.			trans	-61.6	157.1	173.5	-159.3	0	0	0	0	111.9	C531 F532 L562 Q567	C531-T560 WeakPolarHBondContact O-CG2 3.41Å; F532-T560 PolarHBondContact O-N 2.97Å; F532-T560 VanDerWaalsContact O-N 3.11Å; T560-L562 PolarHBondContact OG1-N 2.86Å; T560-Q567 PolarHBondContact OG1-OE1 2.95Å
561	K	83.7	Confident	83.8	Confident	206 Å²	206	51.7 Å²	51.7	90%	0.896	28%	0.284	S	S	*	.			trans	-114.4	7.3	167.6	-64.7	-167.3	177.7	-169.8	0	112.5
562	L	84.3	Confident	85	Confident	72 Å²	72	52.4 Å²	52.4	38%	0.377	28%	0.282	S	S	.	.	S	Bend	trans	-77.7	155.6	177.6	-63.4	-175	0	0	0	111.3	P535 T560 D566 Q567	P535-L562 HydrophobicContact CG-CD1 3.59Å; P535-L562 HydrophobicContact CG-CG 4.38Å; T560-L562 PolarHBondContact OG1-N 2.86Å; L562-D566 HydrophobicContact CB-CB 4.19Å; L562-D566 HydrophobicContact CD1-CB 4.48Å; L562-D566 HydrophobicContact CD2-CB 4.35Å; L562-Q567 HydrophobicContact CB-CB 4.19Å
563	S	82.8	Confident	86.2	Confident	49 Å²	49	54.5 Å²	54.5	34%	0.343	30%	0.299	S	S	.	.			trans	-66.9	160.8	162	80.3	0	0	0	0	110	S565 D566 Q567	S563-S565 PolarHBondContact O-N 2.74Å; S563-S565 PolarHBondContact OG-N 2.68Å; S563-D566 WeakPolarHBondContact CB-OD2 3.27Å; S563-D566 PolarHBondContact O-N 3.14Å; S563-D566 VanDerWaalsContact O-N 3.13Å; S563-D566 PolarHBondContact OG-N 3.34Å; S563-D566 VanDerWaalsContact OG-N 3.14Å; S563-D566 PolarHBondContact OG-OD2 3.44Å; S563-Q567 WeakPolarHBondContact O-CB 3.43Å; S563-Q567 PolarHBondContact O-N 3.13Å
564	L	85.3	Confident	87.2	Confident	24 Å²	24	54.2 Å²	54.2	13%	0.126	29%	0.294	C	S	.	.	H	α-helix	trans	-59.9	-33.8	175.9	-65.8	-175.7	0	0	0	112.8	R315 P318 C531 M568 L623 V626 V627	R315-L564 WeakPolarHBondContact O-CD1 3.26Å; P318-L564 HydrophobicContact CB-CD1 4.25Å; P318-L564 HydrophobicContact CG-CD1 3.71Å; C531-L564 HydrophobicContact CB-CD2 4.04Å; L564-M568 WeakPolarHBondContact O-CB 3.49Å; L564-M568 PolarHBondContact O-N 3.11Å; L564-L623 HydrophobicContact CD2-CD2 4.25Å; L564-V626 HydrophobicContact CD1-CG1 3.79Å; L564-V627 HydrophobicContact CB-CG2 3.81Å
565	S	84.3	Confident	88.3	Confident	41 Å²	41	50.6 Å²	50.6	29%	0.287	28%	0.275	S	S	.	.	H	α-helix	trans	-63.1	-44.9	174.2	-173.5	0	0	0	0	111.6	S563 M568 K569	S563-S565 PolarHBondContact O-N 2.74Å; S563-S565 PolarHBondContact OG-N 2.68Å; S565-M568 PolarHBondContact O-N 3.2Å; S565-K569 VanDerWaalsContact O-CG 3.28Å; S565-K569 WeakPolarHBondContact O-CG 3.42Å; S565-K569 PolarHBondContact O-N 3.05Å; S565-K569 VanDerWaalsContact OG-CE 3.29Å; S565-K569 WeakPolarHBondContact OG-CE 3.45Å; S565-K569 PolarHBondContact OG-NZ 3.23Å
566	D	88.7	Confident	89.1	Confident	69 Å²	69	55 Å²	55	37%	0.369	30%	0.295	S	S	.	.	H	α-helix	trans	-77.8	-29.1	-178.6	-52.2	-47	0	0	0	112.1	L562 S563 K569 S570	L562-D566 HydrophobicContact CB-CB 4.19Å; L562-D566 HydrophobicContact CD1-CB 4.48Å; L562-D566 HydrophobicContact CD2-CB 4.35Å; S563-D566 WeakPolarHBondContact CB-OD2 3.27Å; S563-D566 PolarHBondContact O-N 3.14Å; S563-D566 VanDerWaalsContact O-N 3.13Å; S563-D566 PolarHBondContact OG-N 3.34Å; S563-D566 VanDerWaalsContact OG-N 3.14Å; S563-D566 PolarHBondContact OG-OD2 3.44Å; D566-K569 IonicContact OD1-NZ 2.67Å; D566-K569 PolarHBondContact OD1-NZ 3.42Å; D566-K569 VanDerWaalsContact OD1-NZ 3.15Å; D566-S570 VanDerWaalsContact O-CB 3.29Å; D566-S570 WeakPolarHBondContact O-CB 3.43Å; D566-S570 PolarHBondContact O-N 2.99Å
567	Q	91.2	Very high	89.6	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-64.7	-43.3	170.2	-176.5	72.5	4.1	0	0	110.9	A530 C531 S533 T560 L562 S563 S570 H571 L623	A530-Q567 WeakPolarHBondContact O-CG 3.17Å; A530-Q567 PolarHBondContact O-NE2 3.03Å; C531-Q567 PolarHBondContact O-NE2 2.92Å; S533-Q567 PolarHBondContact O-NE2 3.48Å; T560-Q567 PolarHBondContact OG1-OE1 2.95Å; L562-Q567 HydrophobicContact CB-CB 4.19Å; S563-Q567 WeakPolarHBondContact O-CB 3.43Å; S563-Q567 PolarHBondContact O-N 3.13Å; Q567-S570 WeakPolarHBondContact O-CB 3.37Å; Q567-S570 PolarHBondContact O-N 3.31Å; Q567-H571 PolarHBondContact NE2-CE1 3.3Å; Q567-H571 PolarHBondContact NE2-NE2 2.64Å; Q567-H571 PolarHBondContact O-CD2 3.26Å; Q567-H571 PolarHBondContact O-N 3.35Å; Q567-L623 HydrophobicContact CB-CD1 4.48Å; Q567-L623 HydrophobicContact CG-CD1 4.06Å
568	M	91.7	Very high	90.1	Very high	22 Å²	22	54.7 Å²	54.7	11%	0.108	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-51.7	173.6	-171.5	178.7	80.8	0	0	111.2	L564 S565 S570 H571 E572 L623 Q624 V627	L564-M568 WeakPolarHBondContact O-CB 3.49Å; L564-M568 PolarHBondContact O-N 3.11Å; S565-M568 PolarHBondContact O-N 3.2Å; M568-S570 PolarHBondContact O-N 3.39Å; M568-H571 WeakPolarHBondContact O-CA 3.07Å; M568-H571 WeakPolarHBondContact O-CB 3.2Å; M568-H571 PolarHBondContact O-N 2.92Å; M568-E572 WeakPolarHBondContact O-CG 3.28Å; M568-E572 PolarHBondContact O-N 3.04Å; M568-L623 HydrophobicContact CB-CB 4.08Å; M568-L623 HydrophobicContact CB-CD1 4.01Å; M568-L623 HydrophobicContact CG-CB 3.97Å; M568-L623 HydrophobicContact SD-CB 4.17Å; M568-Q624 HydrophobicContact CE-CG 4.44Å; M568-Q624 HydrophobicContact SD-CB 4.37Å; M568-Q624 HydrophobicContact SD-CG 3.56Å; M568-Q624 VanDerWaalsContact SD-CG 3.56Å; M568-V627 HydrophobicContact CE-CG1 4.32Å; M568-V627 HydrophobicContact SD-CB 4.22Å; M568-V627 HydrophobicContact SD-CG2 4.43Å
569	K	92.7	Very high	90.8	Very high	94 Å²	94	53.9 Å²	53.9	41%	0.409	27%	0.274	S	S	.	.	H	α-helix	trans	-56.2	-38.2	173.8	-66.3	164.5	-159.9	157.2	0	112.3	S565 D566 H571 E572 V573	S565-K569 VanDerWaalsContact O-CG 3.28Å; S565-K569 WeakPolarHBondContact O-CG 3.42Å; S565-K569 PolarHBondContact O-N 3.05Å; S565-K569 VanDerWaalsContact OG-CE 3.29Å; S565-K569 WeakPolarHBondContact OG-CE 3.45Å; S565-K569 PolarHBondContact OG-NZ 3.23Å; D566-K569 IonicContact OD1-NZ 2.67Å; D566-K569 PolarHBondContact OD1-NZ 3.42Å; D566-K569 VanDerWaalsContact OD1-NZ 3.15Å; K569-H571 VanDerWaalsContact C-N 3.3Å; K569-H571 PolarHBondContact O-N 2.88Å; K569-E572 PolarHBondContact O-N 2.73Å; K569-V573 WeakPolarHBondContact O-CG2 3.2Å; K569-V573 PolarHBondContact O-N 3.42Å
570	S	93.3	Very high	91.2	Very high	34 Å²	34	58 Å²	58	24%	0.238	29%	0.293	C	S	.	.	H	α-helix	trans	-66	-30.5	175.4	-174.6	0	0	0	0	112.9	D566 Q567 M568 R574	D566-S570 VanDerWaalsContact O-CB 3.29Å; D566-S570 WeakPolarHBondContact O-CB 3.43Å; D566-S570 PolarHBondContact O-N 2.99Å; Q567-S570 WeakPolarHBondContact O-CB 3.37Å; Q567-S570 PolarHBondContact O-N 3.31Å; M568-S570 PolarHBondContact O-N 3.39Å; S570-R574 VanDerWaalsContact O-CB 3.26Å; S570-R574 WeakPolarHBondContact O-CB 3.48Å; S570-R574 PolarHBondContact O-N 2.71Å
571	H	94.4	Very high	91.5	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.028	30%	0.303	C	S	.	.	H	α-helix	trans	-77.9	-35.7	172.9	-62.6	-32.2	0	0	0	111.7	A530 Q567 M568 K569 R574 I575 Y616 Y619 V620	A530-H571 PolarHBondContact O-NE2 3.38Å; Q567-H571 PolarHBondContact NE2-CE1 3.3Å; Q567-H571 PolarHBondContact NE2-NE2 2.64Å; Q567-H571 PolarHBondContact O-CD2 3.26Å; Q567-H571 PolarHBondContact O-N 3.35Å; M568-H571 WeakPolarHBondContact O-CA 3.07Å; M568-H571 WeakPolarHBondContact O-CB 3.2Å; M568-H571 PolarHBondContact O-N 2.92Å; K569-H571 VanDerWaalsContact C-N 3.3Å; K569-H571 PolarHBondContact O-N 2.88Å; H571-R574 CarbonylContact O-C 3.58Å; H571-R574 WeakPolarHBondContact O-CA 3.16Å; H571-R574 WeakPolarHBondContact O-CB 3.28Å; H571-R574 PolarHBondContact O-N 3.41Å; H571-R574 VanDerWaalsContact O-N 3.17Å; H571-I575 WeakPolarHBondContact O-CG1 3.38Å; H571-I575 PolarHBondContact O-N 3.46Å; H571-Y616 HydrophobicContact CB-CD1 4.01Å; H571-Y616 AromaticContact CG-CD1 3.93Å; H571-Y616 AromaticContact ND1-CD1 3.53Å; H571-Y616 AromaticContact ND1-CE1 3.42Å; H571-Y616 WeakPolarHBondContact ND1-CE1 3.27Å; H571-Y619 AromaticContact CE1-CD2 3.86Å; H571-Y619 AromaticContact NE2-CD2 3.82Å; H571-V620 HydrophobicContact CB-CG2 3.54Å
572	E	95.4	Very high	92	Very high	62 Å²	62	50.5 Å²	50.5	29%	0.29	27%	0.265	S	S	.	.	H	α-helix	trans	-62.5	-48.9	174.3	-68.7	170.6	161.8	0	0	112	M568 K569 R574 I575 Q576 V620	M568-E572 WeakPolarHBondContact O-CG 3.28Å; M568-E572 PolarHBondContact O-N 3.04Å; K569-E572 PolarHBondContact O-N 2.73Å; E572-R574 PolarHBondContact O-N 2.85Å; E572-I575 WeakPolarHBondContact O-CB 3.22Å; E572-I575 PolarHBondContact O-N 3.44Å; E572-I575 VanDerWaalsContact O-N 3.15Å; E572-Q576 WeakPolarHBondContact O-CG 3.46Å; E572-Q576 PolarHBondContact O-N 3.39Å; E572-Q576 VanDerWaalsContact O-N 3.14Å; E572-V620 HydrophobicContact CG-CG1 4Å; E572-V620 HydrophobicContact CG-CG2 3.81Å
573	V	95.1	Very high	92.5	Very high	84 Å²	84	49.1 Å²	49.1	51%	0.509	26%	0.264	S	S	.	.	H	α-helix	trans	-58.3	-37.7	171.7	171.4	0	0	0	0	110.8	K569 Q576 E577	K569-V573 WeakPolarHBondContact O-CG2 3.2Å; K569-V573 PolarHBondContact O-N 3.42Å; V573-Q576 WeakPolarHBondContact O-CB 3.27Å; V573-Q576 PolarHBondContact O-N 3Å; V573-E577 PolarHBondContact O-N 3.15Å
574	R	93.3	Very high	93	Very high	26 Å²	26	53.8 Å²	53.8	10%	0.098	28%	0.278	C	S	.	.	H	α-helix	trans	-69.7	-32.4	178.2	-177.3	58.7	-176.2	137.5	18.1	112.8	S570 H571 E572 E577 I578 E612 Y616	S570-R574 VanDerWaalsContact O-CB 3.26Å; S570-R574 WeakPolarHBondContact O-CB 3.48Å; S570-R574 PolarHBondContact O-N 2.71Å; H571-R574 CarbonylContact O-C 3.58Å; H571-R574 WeakPolarHBondContact O-CA 3.16Å; H571-R574 WeakPolarHBondContact O-CB 3.28Å; H571-R574 PolarHBondContact O-N 3.41Å; H571-R574 VanDerWaalsContact O-N 3.17Å; E572-R574 PolarHBondContact O-N 2.85Å; R574-E577 WeakPolarHBondContact CD-OE2 3.29Å; R574-E577 IonicContact CZ-OE2 3.61Å; R574-E577 IonicContact NE-OE2 3.73Å; R574-E577 IonicContact NH1-OE2 2.68Å; R574-E577 PolarHBondContact NH1-OE2 3.38Å; R574-I578 HydrophobicContact CG-CD1 4.12Å; R574-I578 VanDerWaalsContact O-CD1 3.26Å; R574-I578 WeakPolarHBondContact O-CD1 3.21Å; R574-I578 WeakPolarHBondContact O-CG1 3.26Å; R574-I578 PolarHBondContact O-N 3.31Å; R574-I578 VanDerWaalsContact O-N 3.15Å; R574-E612 IonicContact NH2-OE2 3.17Å; R574-E612 PolarHBondContact NH2-OE2 3.26Å; R574-Y616 HydrophobicContact CB-CD1 4.24Å; R574-Y616 HydrophobicContact CB-CE1 4.32Å; R574-Y616 HydrophobicContact CB-CG 4.5Å; R574-Y616 HydrophobicContact CG-CD1 3.86Å; R574-Y616 HydrophobicContact CG-CD2 3.8Å; R574-Y616 HydrophobicContact CG-CE1 3.71Å; R574-Y616 HydrophobicContact CG-CE2 3.67Å; R574-Y616 HydrophobicContact CG-CG 3.9Å
575	I	96	Very high	93.4	Very high	19 Å²	19	53.5 Å²	53.5	10%	0.097	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-50.3	169.2	-71.7	162.5	0	0	0	109.6	H571 E572 E577 I578 E579 L613 K617 V620	H571-I575 WeakPolarHBondContact O-CG1 3.38Å; H571-I575 PolarHBondContact O-N 3.46Å; E572-I575 WeakPolarHBondContact O-CB 3.22Å; E572-I575 PolarHBondContact O-N 3.44Å; E572-I575 VanDerWaalsContact O-N 3.15Å; I575-E577 PolarHBondContact O-N 2.86Å; I575-I578 PolarHBondContact O-N 3.2Å; I575-E579 HydrophobicContact CG2-CG 4.35Å; I575-E579 WeakPolarHBondContact O-CG 3.37Å; I575-E579 PolarHBondContact O-N 2.97Å; I575-L613 HydrophobicContact CG2-CD1 3.88Å; I575-K617 HydrophobicContact CD1-CB 4.5Å; I575-K617 HydrophobicContact CD1-CG 3.71Å; I575-K617 HydrophobicContact CG1-CG 4.07Å; I575-V620 HydrophobicContact CD1-CB 4.27Å; I575-V620 HydrophobicContact CD1-CG2 3.73Å
576	Q	96.4	Very high	93.8	Very high	112 Å²	112	57.9 Å²	57.9	52%	0.523	29%	0.287	S	S	.	.	H	α-helix	trans	-59	-43	179.2	-62.6	171.9	11.3	0	0	112	E572 V573 I578 E579 M580	E572-Q576 WeakPolarHBondContact O-CG 3.46Å; E572-Q576 PolarHBondContact O-N 3.39Å; E572-Q576 VanDerWaalsContact O-N 3.14Å; V573-Q576 WeakPolarHBondContact O-CB 3.27Å; V573-Q576 PolarHBondContact O-N 3Å; Q576-I578 VanDerWaalsContact C-N 3.32Å; Q576-I578 PolarHBondContact O-N 3.14Å; Q576-E579 PolarHBondContact O-N 3.28Å; Q576-M580 HydrophobicContact CB-CE 4.48Å; Q576-M580 WeakPolarHBondContact O-CB 3.46Å; Q576-M580 WeakPolarHBondContact O-CE 3.31Å; Q576-M580 WeakPolarHBondContact O-CG 3.48Å; Q576-M580 PolarHBondContact O-N 3.32Å
577	E	93.8	Very high	94.1	Very high	82 Å²	82	61.7 Å²	61.7	38%	0.383	30%	0.302	S	S	.	.	H	α-helix	trans	-55.4	-44.6	172.2	-75.2	-164.1	147	0	0	112.7	V573 R574 I575 S581	V573-E577 PolarHBondContact O-N 3.15Å; R574-E577 WeakPolarHBondContact CD-OE2 3.29Å; R574-E577 IonicContact CZ-OE2 3.61Å; R574-E577 IonicContact NE-OE2 3.73Å; R574-E577 IonicContact NH1-OE2 2.68Å; R574-E577 PolarHBondContact NH1-OE2 3.38Å; I575-E577 PolarHBondContact O-N 2.86Å; E577-S581 WeakPolarHBondContact O-CB 3.41Å; E577-S581 PolarHBondContact O-N 2.89Å
578	I	93.9	Very high	94	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-70	-44.2	-176.4	-68	160	0	0	0	110.2	R574 I575 Q576 S581 L582 L609 E612 L613 Y616	R574-I578 HydrophobicContact CG-CD1 4.12Å; R574-I578 VanDerWaalsContact O-CD1 3.26Å; R574-I578 WeakPolarHBondContact O-CD1 3.21Å; R574-I578 WeakPolarHBondContact O-CG1 3.26Å; R574-I578 PolarHBondContact O-N 3.31Å; R574-I578 VanDerWaalsContact O-N 3.15Å; I575-I578 PolarHBondContact O-N 3.2Å; Q576-I578 VanDerWaalsContact C-N 3.32Å; Q576-I578 PolarHBondContact O-N 3.14Å; I578-S581 PolarHBondContact O-N 3.07Å; I578-L582 VanDerWaalsContact O-CB 3.27Å; I578-L582 WeakPolarHBondContact O-CB 3.31Å; I578-L582 PolarHBondContact O-N 3.27Å; I578-L609 HydrophobicContact CG2-CB 4.33Å; I578-L609 HydrophobicContact CG2-CD2 4.19Å; I578-L609 VanDerWaalsContact CG2-O 3.31Å; I578-L609 WeakPolarHBondContact CG2-O 3.39Å; I578-E612 HydrophobicContact CD1-CB 3.74Å; I578-E612 HydrophobicContact CG1-CB 4.36Å; I578-L613 HydrophobicContact CB-CD1 4.45Å; I578-L613 HydrophobicContact CG2-CB 3.86Å; I578-L613 HydrophobicContact CG2-CD1 4.15Å; I578-Y616 HydrophobicContact CD1-CD2 3.61Å; I578-Y616 HydrophobicContact CD1-CE2 4.24Å; I578-Y616 HydrophobicContact CD1-CG 4.38Å
579	E	96.9	Very high	93.9	Very high	76 Å²	76	69.9 Å²	69.9	36%	0.355	35%	0.351	S	S	.	.	H	α-helix	trans	-65.2	-42.2	178.8	-68.7	-178.6	154.5	0	0	111.5	I575 Q576 S581 L582 A583 L613 K617	I575-E579 HydrophobicContact CG2-CG 4.35Å; I575-E579 WeakPolarHBondContact O-CG 3.37Å; I575-E579 PolarHBondContact O-N 2.97Å; Q576-E579 PolarHBondContact O-N 3.28Å; E579-S581 PolarHBondContact O-N 3.4Å; E579-L582 PolarHBondContact O-N 3.13Å; E579-A583 WeakPolarHBondContact O-CB 3.22Å; E579-A583 PolarHBondContact O-N 2.95Å; E579-L613 HydrophobicContact CG-CD1 3.6Å; E579-L613 HydrophobicContact CG-CD2 4.02Å; E579-L613 HydrophobicContact CG-CG 4.48Å; E579-K617 WeakPolarHBondContact OE1-CE 3.42Å; E579-K617 IonicContact OE1-NZ 2.71Å; E579-K617 PolarHBondContact OE1-NZ 3.21Å
580	M	95.4	Very high	93.6	Very high	125 Å²	125	67.3 Å²	67.3	62%	0.616	34%	0.344	S	S	*	.	H	α-helix	trans	-60.5	-42	170.4	-74.6	-171	-76.6	0	0	112.5	Q576 L582 K584	Q576-M580 HydrophobicContact CB-CE 4.48Å; Q576-M580 WeakPolarHBondContact O-CB 3.46Å; Q576-M580 WeakPolarHBondContact O-CE 3.31Å; Q576-M580 WeakPolarHBondContact O-CG 3.48Å; Q576-M580 PolarHBondContact O-N 3.32Å; M580-L582 VanDerWaalsContact C-N 3.33Å; M580-L582 PolarHBondContact O-N 3.07Å; M580-K584 WeakPolarHBondContact O-CB 3.46Å; M580-K584 PolarHBondContact O-N 2.71Å
581	S	92.5	Very high	93.1	Very high	44 Å²	44	69.4 Å²	69.4	31%	0.308	36%	0.358	S	S	.	.	H	α-helix	trans	-66.3	-36.2	178.3	-150.2	0	0	0	0	112.4	E577 I578 E579 L585	E577-S581 WeakPolarHBondContact O-CB 3.41Å; E577-S581 PolarHBondContact O-N 2.89Å; I578-S581 PolarHBondContact O-N 3.07Å; E579-S581 PolarHBondContact O-N 3.4Å; S581-L585 WeakPolarHBondContact O-CB 3.27Å; S581-L585 PolarHBondContact O-N 3.09Å
582	L	94.1	Very high	92.3	Very high	17 Å²	17	81.1 Å²	81.1	9%	0.089	40%	0.402	C	S	.	.	H	α-helix	trans	-73.9	-42	178.8	-177.9	150	0	0	0	111.6	I578 E579 M580 L585 R586 L609 L610	I578-L582 VanDerWaalsContact O-CB 3.27Å; I578-L582 WeakPolarHBondContact O-CB 3.31Å; I578-L582 PolarHBondContact O-N 3.27Å; E579-L582 PolarHBondContact O-N 3.13Å; M580-L582 VanDerWaalsContact C-N 3.33Å; M580-L582 PolarHBondContact O-N 3.07Å; L582-L585 WeakPolarHBondContact O-CB 3.36Å; L582-L585 PolarHBondContact O-N 3.34Å; L582-R586 HydrophobicContact CD2-CG 4.47Å; L582-R586 WeakPolarHBondContact O-CG 3.38Å; L582-R586 PolarHBondContact O-N 2.94Å; L582-L609 HydrophobicContact CB-CB 4.35Å; L582-L609 HydrophobicContact CB-CD1 4.19Å; L582-L609 HydrophobicContact CD1-CB 4.16Å; L582-L610 HydrophobicContact CD1-CD2 3.62Å; L582-L610 HydrophobicContact CD1-CG 3.84Å
583	A	95.7	Very high	91.7	Very high	43 Å²	43	83.4 Å²	83.4	36%	0.355	43%	0.425	S	S	.	.	H	α-helix	trans	-60	-48.8	171.9	0	0	0	0	0	111.1	E579 L585 R586 Q587	E579-A583 WeakPolarHBondContact O-CB 3.22Å; E579-A583 PolarHBondContact O-N 2.95Å; A583-L585 VanDerWaalsContact C-N 3.26Å; A583-L585 PolarHBondContact O-N 3.38Å; A583-R586 PolarHBondContact O-N 2.83Å; A583-Q587 WeakPolarHBondContact O-CB 3.43Å; A583-Q587 VanDerWaalsContact O-CG 3.29Å; A583-Q587 WeakPolarHBondContact O-CG 3.5Å; A583-Q587 PolarHBondContact O-N 3.22Å
584	K	94.1	Very high	91.2	Very high	147 Å²	147	80.6 Å²	80.6	64%	0.639	41%	0.409	S	S	*	.	H	α-helix	trans	-61.2	-33.1	176.2	-176.4	168	-177.6	168.8	0	112.9	M580 N588	M580-K584 WeakPolarHBondContact O-CB 3.46Å; M580-K584 PolarHBondContact O-N 2.71Å; K584-N588 PolarHBondContact O-ND2 3.15Å
585	L	92	Very high	90.9	Very high	18 Å²	18	86.8 Å²	86.8	9%	0.094	44%	0.436	C	S	.	.	H	α-helix	trans	-67.2	-52.6	172.8	-176.2	61.8	0	0	0	110.9	S581 L582 A583 Q587 N588 F602 K605 E606 L609	S581-L585 WeakPolarHBondContact O-CB 3.27Å; S581-L585 PolarHBondContact O-N 3.09Å; L582-L585 WeakPolarHBondContact O-CB 3.36Å; L582-L585 PolarHBondContact O-N 3.34Å; A583-L585 VanDerWaalsContact C-N 3.26Å; A583-L585 PolarHBondContact O-N 3.38Å; L585-Q587 VanDerWaalsContact C-N 3.29Å; L585-Q587 PolarHBondContact O-N 3.33Å; L585-N588 CarbonylContact O-C 3.49Å; L585-N588 PolarHBondContact O-N 3.02Å; L585-F602 HydrophobicContact CD1-CD2 3.5Å; L585-F602 VanDerWaalsContact CD1-CD2 3.5Å; L585-F602 HydrophobicContact CD1-CE2 3.61Å; L585-F602 HydrophobicContact CD1-CG 4.43Å; L585-F602 HydrophobicContact CG-CD2 4Å; L585-F602 HydrophobicContact CG-CE2 3.66Å; L585-F602 HydrophobicContact CG-CZ 4.21Å; L585-F602 WeakPolarHBondContact O-CE2 3.24Å; L585-K605 HydrophobicContact CD1-CD 4.1Å; L585-K605 HydrophobicContact CD2-CB 4.16Å; L585-K605 HydrophobicContact CD2-CD 4.14Å; L585-K605 HydrophobicContact CD2-CG 4Å; L585-E606 HydrophobicContact CD2-CB 3.84Å; L585-L609 HydrophobicContact CD2-CD1 4.07Å
586	R	94.2	Very high	90.4	Very high	134 Å²	134	90 Å²	90	51%	0.506	46%	0.461	S	S	.	.	H	α-helix	trans	-63.8	-28.6	-178.7	-73.3	-178.1	171.7	177.1	-4.6	114.1	L582 A583 N588 E606	L582-R586 HydrophobicContact CD2-CG 4.47Å; L582-R586 WeakPolarHBondContact O-CG 3.38Å; L582-R586 PolarHBondContact O-N 2.94Å; A583-R586 PolarHBondContact O-N 2.83Å; R586-N588 PolarHBondContact O-N 3.3Å; R586-E606 IonicContact CZ-OE1 2.64Å; R586-E606 IonicContact NE-OE1 2.69Å; R586-E606 PolarHBondContact NE-OE1 3.31Å; R586-E606 IonicContact NH2-OE1 3.55Å; R586-E606 PolarHBondContact NH2-OE1 3.37Å
587	Q	93.3	Very high	89.9	Confident	148 Å²	148	87.8 Å²	87.8	69%	0.692	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.4	171.3	-74.6	169.6	-3	0	0	113.7	A583 L585 P589	A583-Q587 WeakPolarHBondContact O-CB 3.43Å; A583-Q587 VanDerWaalsContact O-CG 3.29Å; A583-Q587 WeakPolarHBondContact O-CG 3.5Å; A583-Q587 PolarHBondContact O-N 3.22Å; L585-Q587 VanDerWaalsContact C-N 3.29Å; L585-Q587 PolarHBondContact O-N 3.33Å; Q587-P589 WeakPolarHBondContact O-CD 3.48Å
588	N	89.6	Confident	89.5	Confident	110 Å²	110	88.5 Å²	88.5	59%	0.588	46%	0.46	S	S	*	.	S	Bend	trans	-124.6	60.2	-174.8	-64.6	-88.2	0	0	0	111.4	K584 L585 R586	K584-N588 PolarHBondContact O-ND2 3.15Å; L585-N588 CarbonylContact O-C 3.49Å; L585-N588 PolarHBondContact O-N 3.02Å; R586-N588 PolarHBondContact O-N 3.3Å
589	P	89.3	Confident	89.2	Confident	85 Å²	85	91.8 Å²	91.8	55%	0.552	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-69.7	139.5	179.1	31.3	-34.4	0	0	0	110.7	Q587 F602	Q587-P589 WeakPolarHBondContact O-CD 3.48Å; P589-F602 HydrophobicContact CB-CE2 4.41Å; P589-F602 HydrophobicContact CB-CZ 4.4Å
590	P	86.8	Confident	88.7	Confident	41 Å²	41	91.7 Å²	91.7	27%	0.266	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-62.8	141.2	172.5	26.5	-35	0	0	0	110.8	L599 F602	P590-L599 HydrophobicContact CB-CD2 4.05Å; P590-L599 HydrophobicContact CG-CD2 3.77Å; P590-F602 VanDerWaalsContact CD-CG 3.49Å; P590-F602 HydrophobicContact CG-CB 3.81Å; P590-F602 HydrophobicContact CG-CD2 4.12Å; P590-F602 HydrophobicContact CG-CG 3.9Å
591	C	83.1	Confident	88.3	Confident	78 Å²	78	90.3 Å²	90.3	53%	0.527	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-63.6	146.2	174.6	60.5	0	0	0	0	111.1	S593 C594	C591-S593 PolarHBondContact O-N 2.97Å; C591-C594 VanDerWaalsContact O-CB 3.3Å; C591-C594 WeakPolarHBondContact O-CB 3.28Å; C591-C594 PolarHBondContact O-N 3.32Å; C591-C594 PolarHBondContact O-SG 3Å; C591-C594 VanDerWaalsContact O-SG 3.35Å
592	R	78.4	Confident	88.2	Confident	251 Å²	251	90.1 Å²	90.1	95%	0.947	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-17	-177.2	-66.6	-174.5	179.3	-172.4	0.3	114.1
593	S	82.3	Confident	88.1	Confident	111 Å²	111	91.6 Å²	91.6	78%	0.776	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	3.5	176.5	51	0	0	0	0	114.2	C591	C591-S593 PolarHBondContact O-N 2.97Å
594	C	84.7	Confident	87.7	Confident	24 Å²	24	91.5 Å²	91.5	16%	0.162	47%	0.47	C	S	.	.	S	Bend	trans	-75.2	170.8	179.6	87.6	0	0	0	0	112.6	C591 L599	C591-C594 VanDerWaalsContact O-CB 3.3Å; C591-C594 WeakPolarHBondContact O-CB 3.28Å; C591-C594 PolarHBondContact O-N 3.32Å; C591-C594 PolarHBondContact O-SG 3Å; C591-C594 VanDerWaalsContact O-SG 3.35Å; C594-L599 VanDerWaalsContact SG-CD2 3.5Å
595	K	86.6	Confident	87.5	Confident	156 Å²	156	87.8 Å²	87.8	68%	0.678	45%	0.453	S	S	*	.			trans	-65.5	136.7	178.6	-63.8	-178.9	179.6	-179.9	0	109.9	C597 Q598 L599	K595-C597 PolarHBondContact O-N 2.89Å; K595-Q598 WeakPolarHBondContact O-CA 3.01Å; K595-Q598 WeakPolarHBondContact O-CB 3.36Å; K595-Q598 PolarHBondContact O-N 3.14Å; K595-L599 PolarHBondContact O-N 3.2Å
596	S	85.9	Confident	87.6	Confident	88 Å²	88	88.8 Å²	88.8	62%	0.615	46%	0.458	S	S	*	.	H	α-helix	trans	-54.1	-29.2	-176.9	-37.4	0	0	0	0	114	Q598 L599 L600	S596-Q598 VanDerWaalsContact C-N 3.29Å; S596-Q598 PolarHBondContact O-N 2.94Å; S596-L599 PolarHBondContact O-N 3.4Å; S596-L600 WeakPolarHBondContact O-CG 3.41Å; S596-L600 PolarHBondContact O-N 3.44Å
597	C	85.5	Confident	87.4	Confident	64 Å²	64	87.1 Å²	87.1	43%	0.432	46%	0.462	S	S	.	.	H	α-helix	trans	-65.3	-26.4	173.8	62.1	0	0	0	0	114	K595 K601	K595-C597 PolarHBondContact O-N 2.89Å; C597-K601 WeakPolarHBondContact O-CB 3.5Å; C597-K601 WeakPolarHBondContact O-CD 3.44Å; C597-K601 WeakPolarHBondContact O-CG 3.45Å; C597-K601 PolarHBondContact O-N 2.94Å
598	Q	85.3	Confident	87.3	Confident	97 Å²	97	80.6 Å²	80.6	45%	0.453	43%	0.431	S	S	.	.	H	α-helix	trans	-78.5	-39.3	173.7	-68	175.6	-26.1	0	0	111.5	K595 S596 L600 K601 F602	K595-Q598 WeakPolarHBondContact O-CA 3.01Å; K595-Q598 WeakPolarHBondContact O-CB 3.36Å; K595-Q598 PolarHBondContact O-N 3.14Å; S596-Q598 VanDerWaalsContact C-N 3.29Å; S596-Q598 PolarHBondContact O-N 2.94Å; Q598-L600 VanDerWaalsContact C-N 3.35Å; Q598-K601 PolarHBondContact O-N 2.91Å; Q598-F602 PolarHBondContact O-N 2.96Å
599	L	87.2	Confident	87.5	Confident	70 Å²	70	75.8 Å²	75.8	37%	0.366	41%	0.405	S	S	.	.	H	α-helix	trans	-58.7	-46.8	170.9	-60.1	179.7	0	0	0	111	P590 C594 K595 S596 F602 A603	P590-L599 HydrophobicContact CB-CD2 4.05Å; P590-L599 HydrophobicContact CG-CD2 3.77Å; C594-L599 VanDerWaalsContact SG-CD2 3.5Å; K595-L599 PolarHBondContact O-N 3.2Å; S596-L599 PolarHBondContact O-N 3.4Å; L599-F602 PolarHBondContact O-N 3.19Å; L599-A603 PolarHBondContact O-N 3.03Å
600	L	87.8	Confident	87.7	Confident	74 Å²	74	74.6 Å²	74.6	39%	0.387	39%	0.394	S	S	.	.	H	α-helix	trans	-65.2	-42.3	177.2	-67.8	169.8	0	0	0	112.1	I22 L549 S596 Q598 F602 A603 E604	I22-L600 HydrophobicContact CD1-CD2 3.9Å; L549-L600 HydrophobicContact CD1-CB 3.43Å; L549-L600 VanDerWaalsContact CD1-CB 3.43Å; L549-L600 HydrophobicContact CD1-CD1 4.45Å; S596-L600 WeakPolarHBondContact O-CG 3.41Å; S596-L600 PolarHBondContact O-N 3.44Å; Q598-L600 VanDerWaalsContact C-N 3.35Å; L600-F602 VanDerWaalsContact C-N 3.3Å; L600-F602 PolarHBondContact O-N 3.11Å; L600-A603 PolarHBondContact O-N 3.35Å; L600-E604 WeakPolarHBondContact O-CB 3.44Å; L600-E604 PolarHBondContact O-N 3.31Å
601	K	86.7	Confident	88	Confident	96 Å²	96	74 Å²	74	42%	0.417	39%	0.387	S	S	.	.	H	α-helix	trans	-56.3	-41.6	172.7	-81.5	167.9	-174.8	-92.2	0	112.6	L549 C597 Q598 K605	L549-K601 HydrophobicContact CB-CB 4.48Å; L549-K601 HydrophobicContact CB-CG 3.51Å; L549-K601 WeakPolarHBondContact O-CE 3.49Å; L549-K601 WeakPolarHBondContact O-CG 3.49Å; L549-K601 PolarHBondContact O-NZ 2.93Å; C597-K601 WeakPolarHBondContact O-CB 3.5Å; C597-K601 WeakPolarHBondContact O-CD 3.44Å; C597-K601 WeakPolarHBondContact O-CG 3.45Å; C597-K601 PolarHBondContact O-N 2.94Å; Q598-K601 PolarHBondContact O-N 2.91Å; K601-K605 VanDerWaalsContact O-CB 3.29Å; K601-K605 WeakPolarHBondContact O-CB 3.33Å; K601-K605 PolarHBondContact O-N 3.2Å
602	F	90.5	Very high	88.5	Confident	41 Å²	41	70.3 Å²	70.3	18%	0.18	36%	0.362	C	S	.	.	H	α-helix	trans	-65.3	-54.5	178.1	178.1	-86.6	0	0	0	111.1	L585 P589 P590 Q598 L599 L600 E604 K605 E606	L585-F602 HydrophobicContact CD1-CD2 3.5Å; L585-F602 VanDerWaalsContact CD1-CD2 3.5Å; L585-F602 HydrophobicContact CD1-CE2 3.61Å; L585-F602 HydrophobicContact CD1-CG 4.43Å; L585-F602 HydrophobicContact CG-CD2 4Å; L585-F602 HydrophobicContact CG-CE2 3.66Å; L585-F602 HydrophobicContact CG-CZ 4.21Å; L585-F602 WeakPolarHBondContact O-CE2 3.24Å; P589-F602 HydrophobicContact CB-CE2 4.41Å; P589-F602 HydrophobicContact CB-CZ 4.4Å; P590-F602 VanDerWaalsContact CD-CG 3.49Å; P590-F602 HydrophobicContact CG-CB 3.81Å; P590-F602 HydrophobicContact CG-CD2 4.12Å; P590-F602 HydrophobicContact CG-CG 3.9Å; Q598-F602 PolarHBondContact O-N 2.96Å; L599-F602 PolarHBondContact O-N 3.19Å; L600-F602 VanDerWaalsContact C-N 3.3Å; L600-F602 PolarHBondContact O-N 3.11Å; F602-E604 PolarHBondContact O-N 2.74Å; F602-K605 PolarHBondContact O-N 3.26Å; F602-E606 PolarHBondContact O-N 3Å
603	A	90.9	Very high	89.3	Confident	47 Å²	47	59.5 Å²	59.5	39%	0.388	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-42.3	-178.1	0	0	0	0	0	112.3	L599 L600 K605 E606 V607	L599-A603 PolarHBondContact O-N 3.03Å; L600-A603 PolarHBondContact O-N 3.35Å; A603-K605 VanDerWaalsContact C-N 3.33Å; A603-K605 PolarHBondContact O-N 3.44Å; A603-E606 PolarHBondContact O-N 3.36Å; A603-V607 WeakPolarHBondContact O-CB 3.15Å; A603-V607 WeakPolarHBondContact O-CG2 3.47Å; A603-V607 PolarHBondContact O-N 3.49Å
604	E	88.4	Confident	89.9	Confident	41 Å²	41	59.5 Å²	59.5	19%	0.192	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-38.3	177.7	-160.9	-160.7	160.2	0	0	112	S548 L549 F550 R552 L600 F602 Y608	S548-E604 VanDerWaalsContact CA-OE1 3.31Å; S548-E604 WeakPolarHBondContact CA-OE1 3.45Å; S548-E604 PolarHBondContact OG-OE1 3.29Å; S548-E604 VanDerWaalsContact OG-OE1 3.11Å; L549-E604 WeakPolarHBondContact CA-OE2 3.32Å; L549-E604 WeakPolarHBondContact CB-OE2 3.47Å; L549-E604 VanDerWaalsContact CG-OE2 3.32Å; L549-E604 WeakPolarHBondContact CG-OE2 3.28Å; L549-E604 PolarHBondContact N-OE2 2.91Å; F550-E604 HydrophobicContact CD1-CB 4.24Å; F550-E604 HydrophobicContact CD1-CG 4.24Å; F550-E604 HydrophobicContact CE1-CB 4.17Å; F550-E604 HydrophobicContact CE1-CG 3.89Å; R552-E604 IonicContact CZ-OE1 2.8Å; R552-E604 IonicContact NE-OE1 3.37Å; R552-E604 IonicContact NH2-OE1 3.31Å; R552-E604 PolarHBondContact NH2-OE1 2.88Å; L600-E604 WeakPolarHBondContact O-CB 3.44Å; L600-E604 PolarHBondContact O-N 3.31Å; F602-E604 PolarHBondContact O-N 2.74Å; E604-Y608 WeakPolarHBondContact O-CB 3.36Å; E604-Y608 PolarHBondContact O-N 2.92Å
605	K	89.9	Confident	90.4	Very high	69 Å²	69	58.5 Å²	58.5	30%	0.3	30%	0.298	S	S	.	.	H	α-helix	trans	-70.7	-39	176	-173.2	-176.6	169.9	-171.1	0	112	F550 L585 K601 F602 A603 Y608 L609	F550-K605 HydrophobicContact CD1-CB 4.04Å; F550-K605 HydrophobicContact CD2-CB 4.28Å; F550-K605 HydrophobicContact CD2-CG 4.11Å; F550-K605 HydrophobicContact CE1-CB 4.17Å; F550-K605 HydrophobicContact CE2-CB 4.37Å; F550-K605 HydrophobicContact CE2-CG 4.11Å; F550-K605 HydrophobicContact CG-CB 4.12Å; F550-K605 HydrophobicContact CG-CG 4.42Å; F550-K605 HydrophobicContact CZ-CB 4.33Å; F550-K605 HydrophobicContact CZ-CG 4.46Å; L585-K605 HydrophobicContact CD1-CD 4.1Å; L585-K605 HydrophobicContact CD2-CB 4.16Å; L585-K605 HydrophobicContact CD2-CD 4.14Å; L585-K605 HydrophobicContact CD2-CG 4Å; K601-K605 VanDerWaalsContact O-CB 3.29Å; K601-K605 WeakPolarHBondContact O-CB 3.33Å; K601-K605 PolarHBondContact O-N 3.2Å; F602-K605 PolarHBondContact O-N 3.26Å; A603-K605 VanDerWaalsContact C-N 3.33Å; A603-K605 PolarHBondContact O-N 3.44Å; K605-Y608 PolarHBondContact O-N 2.99Å; K605-L609 HydrophobicContact CG-CD1 4.27Å; K605-L609 WeakPolarHBondContact O-CG 3.29Å; K605-L609 PolarHBondContact O-N 3.05Å
606	E	92.8	Very high	90.9	Very high	39 Å²	39	51.3 Å²	51.3	18%	0.182	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-48.1	175.8	-178.3	168.8	-158.6	0	0	111.4	L585 R586 F602 A603 Y608 L609 L610	L585-E606 HydrophobicContact CD2-CB 3.84Å; R586-E606 IonicContact CZ-OE1 2.64Å; R586-E606 IonicContact NE-OE1 2.69Å; R586-E606 PolarHBondContact NE-OE1 3.31Å; R586-E606 IonicContact NH2-OE1 3.55Å; R586-E606 PolarHBondContact NH2-OE1 3.37Å; F602-E606 PolarHBondContact O-N 3Å; A603-E606 PolarHBondContact O-N 3.36Å; E606-Y608 VanDerWaalsContact C-N 3.28Å; E606-Y608 PolarHBondContact O-N 3.26Å; E606-L609 PolarHBondContact O-N 3.33Å; E606-L610 HydrophobicContact CG-CD1 3.91Å; E606-L610 HydrophobicContact CG-CG 4.41Å; E606-L610 WeakPolarHBondContact O-CB 3.49Å; E606-L610 WeakPolarHBondContact O-CG 3.34Å; E606-L610 PolarHBondContact O-N 3.09Å
607	V	91.6	Very high	91.4	Very high	99 Å²	99	50.7 Å²	50.7	60%	0.6	25%	0.253	S	S	*	.	H	α-helix	trans	-58.7	-40.9	175.8	170.3	0	0	0	0	111.2	A603 Y611	A603-V607 WeakPolarHBondContact O-CB 3.15Å; A603-V607 WeakPolarHBondContact O-CG2 3.47Å; A603-V607 PolarHBondContact O-N 3.49Å; V607-Y611 VanDerWaalsContact O-CB 3.28Å; V607-Y611 WeakPolarHBondContact O-CB 3.48Å; V607-Y611 PolarHBondContact O-N 2.99Å
608	Y	90.6	Very high	91.9	Very high	12 Å²	12	48.2 Å²	48.2	5%	0.047	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-47.6	174.2	168.2	-107.9	0	0	0	112.8	F550 P553 E604 K605 E606 Y611 E612	F550-Y608 AromaticContact CE2-CD1 3.67Å; F550-Y608 HydrophobicContact CE2-CD1 3.67Å; F550-Y608 HydrophobicContact CE2-CE1 4.17Å; F550-Y608 HydrophobicContact CE2-CG 4.19Å; F550-Y608 AromaticContact CZ-CD1 3.54Å; F550-Y608 HydrophobicContact CZ-CD1 3.54Å; F550-Y608 HydrophobicContact CZ-CD2 4.43Å; F550-Y608 HydrophobicContact CZ-CE1 4.38Å; F550-Y608 AromaticContact CZ-CG 3.58Å; F550-Y608 HydrophobicContact CZ-CG 3.58Å; P553-Y608 WeakPolarHBondContact CD-OH 3.48Å; E604-Y608 WeakPolarHBondContact O-CB 3.36Å; E604-Y608 PolarHBondContact O-N 2.92Å; K605-Y608 PolarHBondContact O-N 2.99Å; E606-Y608 VanDerWaalsContact C-N 3.28Å; E606-Y608 PolarHBondContact O-N 3.26Å; Y608-Y611 PolarHBondContact O-N 3.33Å; Y608-E612 HydrophobicContact CD1-CG 4.43Å; Y608-E612 HydrophobicContact CD2-CG 3.89Å; Y608-E612 HydrophobicContact CE1-CG 4Å; Y608-E612 VanDerWaalsContact CE2-CD 3.44Å; Y608-E612 HydrophobicContact CE2-CG 3.38Å; Y608-E612 WeakPolarHBondContact CE2-OE1 3.3Å; Y608-E612 HydrophobicContact CG-CG 4.38Å; Y608-E612 VanDerWaalsContact CZ-CD 3.45Å; Y608-E612 VanDerWaalsContact CZ-CG 3.42Å; Y608-E612 VanDerWaalsContact O-CG 3.28Å; Y608-E612 WeakPolarHBondContact O-CG 3.48Å; Y608-E612 PolarHBondContact O-N 2.85Å; Y608-E612 PolarHBondContact OH-OE1 2.91Å; Y608-E612 PolarHBondContact OH-OE2 2.84Å
609	L	92.9	Very high	92.3	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-64.7	-41.6	179.4	-71.1	172.2	0	0	0	111.8	I578 L582 L585 K605 E606 Y611 E612 L613	I578-L609 HydrophobicContact CG2-CB 4.33Å; I578-L609 HydrophobicContact CG2-CD2 4.19Å; I578-L609 VanDerWaalsContact CG2-O 3.31Å; I578-L609 WeakPolarHBondContact CG2-O 3.39Å; L582-L609 HydrophobicContact CB-CB 4.35Å; L582-L609 HydrophobicContact CB-CD1 4.19Å; L582-L609 HydrophobicContact CD1-CB 4.16Å; L585-L609 HydrophobicContact CD2-CD1 4.07Å; K605-L609 HydrophobicContact CG-CD1 4.27Å; K605-L609 WeakPolarHBondContact O-CG 3.29Å; K605-L609 PolarHBondContact O-N 3.05Å; E606-L609 PolarHBondContact O-N 3.33Å; L609-Y611 VanDerWaalsContact C-N 3.3Å; L609-Y611 PolarHBondContact O-N 3.07Å; L609-E612 PolarHBondContact O-N 2.76Å; L609-L613 VanDerWaalsContact O-CB 3.29Å; L609-L613 WeakPolarHBondContact O-CB 3.48Å; L609-L613 PolarHBondContact O-N 3.18Å
610	L	94.6	Very high	92.7	Very high	61 Å²	61	40.8 Å²	40.8	32%	0.319	20%	0.201	S	C	.	.	H	α-helix	trans	-63.1	-34.1	174.1	-73.4	169.1	0	0	0	112.9	L582 E606 R614	L582-L610 HydrophobicContact CD1-CD2 3.62Å; L582-L610 HydrophobicContact CD1-CG 3.84Å; E606-L610 HydrophobicContact CG-CD1 3.91Å; E606-L610 HydrophobicContact CG-CG 4.41Å; E606-L610 WeakPolarHBondContact O-CB 3.49Å; E606-L610 WeakPolarHBondContact O-CG 3.34Å; E606-L610 PolarHBondContact O-N 3.09Å; L610-R614 PolarHBondContact O-N 2.75Å; L610-R614 PolarHBondContact O-NH1 3.04Å
611	Y	92.7	Very high	92.9	Very high	29 Å²	29	43.2 Å²	43.2	11%	0.114	21%	0.211	C	C	.	.	H	α-helix	trans	-73.3	-45.2	175.7	161.5	-89.3	0	0	0	112.1	Y484 H501 V607 Y608 L609 L613 R614 R615	Y484-Y611 AromaticContact CD1-CE2 3.95Å; Y484-Y611 HydrophobicContact CD1-CE2 3.95Å; H501-Y611 HydrophobicContact CB-CE2 3.99Å; H501-Y611 WeakPolarHBondContact CB-OH 3.38Å; H501-Y611 AromaticContact CG-CE2 3.9Å; H501-Y611 AromaticContact ND1-CE2 3.9Å; V607-Y611 VanDerWaalsContact O-CB 3.28Å; V607-Y611 WeakPolarHBondContact O-CB 3.48Å; V607-Y611 PolarHBondContact O-N 2.99Å; Y608-Y611 PolarHBondContact O-N 3.33Å; L609-Y611 VanDerWaalsContact C-N 3.3Å; L609-Y611 PolarHBondContact O-N 3.07Å; Y611-L613 VanDerWaalsContact C-N 3.26Å; Y611-L613 PolarHBondContact O-N 2.8Å; Y611-R614 PolarHBondContact O-N 3.46Å; Y611-R615 PolarHBondContact O-N 2.68Å; Y611-R615 VanDerWaalsContact O-N 3.1Å; Y611-R615 PolarHBondContact OH-NH2 3.45Å; Y611-R615 VanDerWaalsContact OH-NH2 3.11Å
612	E	93	Very high	93.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.9	-40.2	174	-65.9	-90.2	130	0	0	110.7	R574 I578 Y608 L609 R614 R615 Y616	R574-E612 IonicContact NH2-OE2 3.17Å; R574-E612 PolarHBondContact NH2-OE2 3.26Å; I578-E612 HydrophobicContact CD1-CB 3.74Å; I578-E612 HydrophobicContact CG1-CB 4.36Å; Y608-E612 HydrophobicContact CD1-CG 4.43Å; Y608-E612 HydrophobicContact CD2-CG 3.89Å; Y608-E612 HydrophobicContact CE1-CG 4Å; Y608-E612 VanDerWaalsContact CE2-CD 3.44Å; Y608-E612 HydrophobicContact CE2-CG 3.38Å; Y608-E612 WeakPolarHBondContact CE2-OE1 3.3Å; Y608-E612 HydrophobicContact CG-CG 4.38Å; Y608-E612 VanDerWaalsContact CZ-CD 3.45Å; Y608-E612 VanDerWaalsContact CZ-CG 3.42Å; Y608-E612 VanDerWaalsContact O-CG 3.28Å; Y608-E612 WeakPolarHBondContact O-CG 3.48Å; Y608-E612 PolarHBondContact O-N 2.85Å; Y608-E612 PolarHBondContact OH-OE1 2.91Å; Y608-E612 PolarHBondContact OH-OE2 2.84Å; L609-E612 PolarHBondContact O-N 2.76Å; E612-R614 PolarHBondContact O-N 3.29Å; E612-R615 PolarHBondContact O-N 2.92Å; E612-R615 IonicContact OE1-CZ 2.69Å; E612-R615 IonicContact OE1-NH1 3.6Å; E612-R615 PolarHBondContact OE1-NH1 3.42Å; E612-R615 IonicContact OE1-NH2 3.39Å; E612-R615 IonicContact OE2-NH1 2.69Å; E612-Y616 VanDerWaalsContact O-CD2 3.31Å; E612-Y616 WeakPolarHBondContact O-CD2 3.4Å; E612-Y616 PolarHBondContact O-N 3.17Å
613	L	95	Very high	93.1	Very high	24 Å²	24	38.8 Å²	38.8	13%	0.126	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-44.5	178.2	-170.8	58.4	0	0	0	112.1	I575 I578 E579 L609 Y611 K617	I575-L613 HydrophobicContact CG2-CD1 3.88Å; I578-L613 HydrophobicContact CB-CD1 4.45Å; I578-L613 HydrophobicContact CG2-CB 3.86Å; I578-L613 HydrophobicContact CG2-CD1 4.15Å; E579-L613 HydrophobicContact CG-CD1 3.6Å; E579-L613 HydrophobicContact CG-CD2 4.02Å; E579-L613 HydrophobicContact CG-CG 4.48Å; L609-L613 VanDerWaalsContact O-CB 3.29Å; L609-L613 WeakPolarHBondContact O-CB 3.48Å; L609-L613 PolarHBondContact O-N 3.18Å; Y611-L613 VanDerWaalsContact C-N 3.26Å; Y611-L613 PolarHBondContact O-N 2.8Å; L613-K617 HydrophobicContact CD1-CD 4.32Å; L613-K617 HydrophobicContact CD1-CG 4.48Å; L613-K617 HydrophobicContact CG-CD 4.38Å; L613-K617 WeakPolarHBondContact O-CB 3.48Å; L613-K617 WeakPolarHBondContact O-CG 3.37Å; L613-K617 PolarHBondContact O-N 2.96Å
614	R	95.6	Very high	92.9	Very high	110 Å²	110	40.5 Å²	40.5	42%	0.415	19%	0.193	S	C	.	.	H	α-helix	trans	-63.6	-42.7	175	-70.1	-162.8	-48.4	-75.5	10.1	112.4	Y484 E486 L610 Y611 E612 A618	Y484-R614 HydrophobicContact CE1-CB 4.33Å; E486-R614 IonicContact OE2-NE 2.73Å; E486-R614 IonicContact OE2-NH2 3.04Å; E486-R614 PolarHBondContact OE2-NH2 3.02Å; L610-R614 PolarHBondContact O-N 2.75Å; L610-R614 PolarHBondContact O-NH1 3.04Å; Y611-R614 PolarHBondContact O-N 3.46Å; E612-R614 PolarHBondContact O-N 3.29Å; R614-A618 WeakPolarHBondContact O-CB 3.3Å; R614-A618 PolarHBondContact O-N 3.11Å
615	R	95.6	Very high	92.3	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.011	22%	0.215	C	C	.	.	H	α-helix	trans	-57.4	-54.5	175.7	178.6	-158.5	-74.6	135	-7.8	110.9	H482 Y484 Y611 E612 A618 Y619	H482-R615 PolarHBondContact O-NE 2.89Å; H482-R615 PolarHBondContact O-NH2 3.33Å; Y484-R615 HydrophobicContact CD1-CB 4.47Å; Y484-R615 HydrophobicContact CD2-CB 4.03Å; Y484-R615 HydrophobicContact CD2-CG 4.05Å; Y484-R615 HydrophobicContact CG-CB 3.98Å; Y484-R615 HydrophobicContact CG-CG 4.16Å; Y611-R615 PolarHBondContact O-N 2.68Å; Y611-R615 VanDerWaalsContact O-N 3.1Å; Y611-R615 PolarHBondContact OH-NH2 3.45Å; Y611-R615 VanDerWaalsContact OH-NH2 3.11Å; E612-R615 PolarHBondContact O-N 2.92Å; E612-R615 IonicContact OE1-CZ 2.69Å; E612-R615 IonicContact OE1-NH1 3.6Å; E612-R615 PolarHBondContact OE1-NH1 3.42Å; E612-R615 IonicContact OE1-NH2 3.39Å; E612-R615 IonicContact OE2-NH1 2.69Å; R615-A618 PolarHBondContact O-N 2.92Å; R615-Y619 WeakPolarHBondContact CD-OH 3.34Å; R615-Y619 HydrophobicContact CG-CD1 4.16Å; R615-Y619 HydrophobicContact CG-CD2 4.31Å; R615-Y619 HydrophobicContact CG-CE1 3.63Å; R615-Y619 HydrophobicContact CG-CE2 3.81Å; R615-Y619 HydrophobicContact CG-CG 4.47Å; R615-Y619 VanDerWaalsContact CG-CZ 3.43Å; R615-Y619 WeakPolarHBondContact O-CD1 3.34Å; R615-Y619 PolarHBondContact O-N 3.02Å
616	Y	96.2	Very high	91.5	Very high	5 Å²	5	39.4 Å²	39.4	2%	0.02	21%	0.208	C	C	.	.	H	α-helix	trans	-71.5	-30.8	-173	-77.5	-75.8	0	0	0	112.8	H482 H571 R574 I578 E612 Y619 V620	H482-Y616 PolarHBondContact ND1-OH 3.17Å; H571-Y616 HydrophobicContact CB-CD1 4.01Å; H571-Y616 AromaticContact CG-CD1 3.93Å; H571-Y616 AromaticContact ND1-CD1 3.53Å; H571-Y616 AromaticContact ND1-CE1 3.42Å; H571-Y616 WeakPolarHBondContact ND1-CE1 3.27Å; R574-Y616 HydrophobicContact CB-CD1 4.24Å; R574-Y616 HydrophobicContact CB-CE1 4.32Å; R574-Y616 HydrophobicContact CB-CG 4.5Å; R574-Y616 HydrophobicContact CG-CD1 3.86Å; R574-Y616 HydrophobicContact CG-CD2 3.8Å; R574-Y616 HydrophobicContact CG-CE1 3.71Å; R574-Y616 HydrophobicContact CG-CE2 3.67Å; R574-Y616 HydrophobicContact CG-CG 3.9Å; I578-Y616 HydrophobicContact CD1-CD2 3.61Å; I578-Y616 HydrophobicContact CD1-CE2 4.24Å; I578-Y616 HydrophobicContact CD1-CG 4.38Å; E612-Y616 VanDerWaalsContact O-CD2 3.31Å; E612-Y616 WeakPolarHBondContact O-CD2 3.4Å; E612-Y616 PolarHBondContact O-N 3.17Å; Y616-Y619 AromaticContact CD1-CD2 3.93Å; Y616-Y619 HydrophobicContact CD1-CD2 3.93Å; Y616-Y619 HydrophobicContact CD1-CE2 4.49Å; Y616-Y619 HydrophobicContact CE1-CD2 4.12Å; Y616-Y619 HydrophobicContact CE1-CE2 4.32Å; Y616-Y619 PolarHBondContact O-N 3.13Å; Y616-V620 WeakPolarHBondContact O-CG2 3.29Å; Y616-V620 PolarHBondContact O-N 3.31Å
617	K	96.6	Very high	90.5	Very high	76 Å²	76	39 Å²	39	33%	0.33	21%	0.208	S	C	.	.	H	α-helix	trans	-63.6	-48.8	169.7	-73.9	-172.5	176.8	-175.2	0	111.9	I575 E579 L613 Y619 V620 E621	I575-K617 HydrophobicContact CD1-CB 4.5Å; I575-K617 HydrophobicContact CD1-CG 3.71Å; I575-K617 HydrophobicContact CG1-CG 4.07Å; E579-K617 WeakPolarHBondContact OE1-CE 3.42Å; E579-K617 IonicContact OE1-NZ 2.71Å; E579-K617 PolarHBondContact OE1-NZ 3.21Å; L613-K617 HydrophobicContact CD1-CD 4.32Å; L613-K617 HydrophobicContact CD1-CG 4.48Å; L613-K617 HydrophobicContact CG-CD 4.38Å; L613-K617 WeakPolarHBondContact O-CB 3.48Å; L613-K617 WeakPolarHBondContact O-CG 3.37Å; L613-K617 PolarHBondContact O-N 2.96Å; K617-Y619 VanDerWaalsContact C-N 3.27Å; K617-Y619 PolarHBondContact O-N 2.96Å; K617-V620 PolarHBondContact O-N 3.43Å; K617-E621 VanDerWaalsContact O-CG 3.29Å; K617-E621 WeakPolarHBondContact O-CG 3.42Å; K617-E621 PolarHBondContact O-N 3.31Å
618	A	95.3	Very high	88.9	Confident	11 Å²	11	39.6 Å²	39.6	9%	0.091	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-31.6	174	0	0	0	0	0	113.8	Y484 R614 R615 L622	Y484-A618 HydrophobicContact CE2-CB 3.72Å; R614-A618 WeakPolarHBondContact O-CB 3.3Å; R614-A618 PolarHBondContact O-N 3.11Å; R615-A618 PolarHBondContact O-N 2.92Å; A618-L622 WeakPolarHBondContact O-CB 3.39Å; A618-L622 WeakPolarHBondContact O-CD1 3.28Å; A618-L622 VanDerWaalsContact O-CG 3.23Å; A618-L622 WeakPolarHBondContact O-CG 3.01Å; A618-L622 PolarHBondContact O-N 3.24Å; A618-L622 VanDerWaalsContact O-N 3.11Å
619	Y	95.4	Very high	87.1	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68.8	-39.4	172.5	-72.2	0.2	0	0	0	112.5	H482 A483 A529 A530 H571 R615 Y616 K617 L623	H482-Y619 WeakPolarHBondContact CA-OH 3.22Å; A483-Y619 PolarHBondContact O-OH 3.36Å; A529-Y619 HydrophobicContact CB-CE1 3.95Å; A529-Y619 VanDerWaalsContact CB-OH 3.28Å; A529-Y619 WeakPolarHBondContact CB-OH 3.4Å; A530-Y619 HydrophobicContact CB-CD1 3.75Å; A530-Y619 HydrophobicContact CB-CD2 4.25Å; A530-Y619 HydrophobicContact CB-CE1 4.4Å; A530-Y619 HydrophobicContact CB-CG 3.66Å; H571-Y619 AromaticContact CE1-CD2 3.86Å; H571-Y619 AromaticContact NE2-CD2 3.82Å; R615-Y619 WeakPolarHBondContact CD-OH 3.34Å; R615-Y619 HydrophobicContact CG-CD1 4.16Å; R615-Y619 HydrophobicContact CG-CD2 4.31Å; R615-Y619 HydrophobicContact CG-CE1 3.63Å; R615-Y619 HydrophobicContact CG-CE2 3.81Å; R615-Y619 HydrophobicContact CG-CG 4.47Å; R615-Y619 VanDerWaalsContact CG-CZ 3.43Å; R615-Y619 WeakPolarHBondContact O-CD1 3.34Å; R615-Y619 PolarHBondContact O-N 3.02Å; Y616-Y619 AromaticContact CD1-CD2 3.93Å; Y616-Y619 HydrophobicContact CD1-CD2 3.93Å; Y616-Y619 HydrophobicContact CD1-CE2 4.49Å; Y616-Y619 HydrophobicContact CE1-CD2 4.12Å; Y616-Y619 HydrophobicContact CE1-CE2 4.32Å; Y616-Y619 PolarHBondContact O-N 3.13Å; K617-Y619 VanDerWaalsContact C-N 3.27Å; K617-Y619 PolarHBondContact O-N 2.96Å; Y619-L623 WeakPolarHBondContact O-CB 3.37Å; Y619-L623 WeakPolarHBondContact O-CG 3.38Å; Y619-L623 PolarHBondContact O-N 2.93Å; Y619-L623 VanDerWaalsContact O-N 3.08Å
620	V	94.3	Very high	85	Confident	11 Å²	11	47.5 Å²	47.5	7%	0.067	25%	0.252	C	S	.	.	H	α-helix	trans	-69.4	-46.1	176.4	170.2	0	0	0	0	110.4	H571 E572 I575 Y616 K617 L622 L623 Q624	H571-V620 HydrophobicContact CB-CG2 3.54Å; E572-V620 HydrophobicContact CG-CG1 4Å; E572-V620 HydrophobicContact CG-CG2 3.81Å; I575-V620 HydrophobicContact CD1-CB 4.27Å; I575-V620 HydrophobicContact CD1-CG2 3.73Å; Y616-V620 WeakPolarHBondContact O-CG2 3.29Å; Y616-V620 PolarHBondContact O-N 3.31Å; K617-V620 PolarHBondContact O-N 3.43Å; V620-L622 VanDerWaalsContact C-N 3.31Å; V620-L622 PolarHBondContact O-N 3.41Å; V620-L623 PolarHBondContact O-N 3.43Å; V620-L623 VanDerWaalsContact O-N 3.12Å; V620-Q624 HydrophobicContact CG1-CG 4.01Å; V620-Q624 VanDerWaalsContact CG1-NE2 3.29Å; V620-Q624 WeakPolarHBondContact O-CB 3.38Å; V620-Q624 VanDerWaalsContact O-CG 3.29Å; V620-Q624 WeakPolarHBondContact O-CG 3.17Å; V620-Q624 PolarHBondContact O-N 2.87Å
621	E	93.1	Very high	82.7	Confident	125 Å²	125	50.4 Å²	50.4	58%	0.584	26%	0.263	S	S	*	.	H	α-helix	trans	-53.7	-45.6	175.2	-69.9	154.8	-154.8	0	0	111.7	K617 G625	K617-E621 VanDerWaalsContact O-CG 3.29Å; K617-E621 WeakPolarHBondContact O-CG 3.42Å; K617-E621 PolarHBondContact O-N 3.31Å; E621-G625 PolarHBondContact O-N 3.11Å
622	L	91.2	Very high	80.7	Confident	45 Å²	45	52.9 Å²	52.9	24%	0.236	28%	0.283	C	S	.	.	H	α-helix	trans	-68.6	-35.9	176.8	-74.4	168.7	0	0	0	113.8	T523 N526 A618 V620 V626	T523-L622 HydrophobicContact CG2-CD2 4.06Å; N526-L622 HydrophobicContact CB-CD1 3.42Å; N526-L622 VanDerWaalsContact CB-CD1 3.42Å; A618-L622 WeakPolarHBondContact O-CB 3.39Å; A618-L622 WeakPolarHBondContact O-CD1 3.28Å; A618-L622 VanDerWaalsContact O-CG 3.23Å; A618-L622 WeakPolarHBondContact O-CG 3.01Å; A618-L622 PolarHBondContact O-N 3.24Å; A618-L622 VanDerWaalsContact O-N 3.11Å; V620-L622 VanDerWaalsContact C-N 3.31Å; V620-L622 PolarHBondContact O-N 3.41Å; L622-V626 WeakPolarHBondContact O-CG2 3.32Å
623	L	89.3	Confident	78.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-79.5	-27.4	177.5	-70.5	-178.1	0	0	0	112.7	A530 L564 Q567 M568 Y619 V620 V626 V627	A530-L623 HydrophobicContact CB-CD1 4.5Å; A530-L623 HydrophobicContact CB-CG 4.25Å; L564-L623 HydrophobicContact CD2-CD2 4.25Å; Q567-L623 HydrophobicContact CB-CD1 4.48Å; Q567-L623 HydrophobicContact CG-CD1 4.06Å; M568-L623 HydrophobicContact CB-CB 4.08Å; M568-L623 HydrophobicContact CB-CD1 4.01Å; M568-L623 HydrophobicContact CG-CB 3.97Å; M568-L623 HydrophobicContact SD-CB 4.17Å; Y619-L623 WeakPolarHBondContact O-CB 3.37Å; Y619-L623 WeakPolarHBondContact O-CG 3.38Å; Y619-L623 PolarHBondContact O-N 2.93Å; Y619-L623 VanDerWaalsContact O-N 3.08Å; V620-L623 PolarHBondContact O-N 3.43Å; V620-L623 VanDerWaalsContact O-N 3.12Å; L623-V626 WeakPolarHBondContact O-CB 3.47Å; L623-V626 PolarHBondContact O-N 3.21Å; L623-V626 VanDerWaalsContact O-N 3.15Å; L623-V627 WeakPolarHBondContact O-CB 3.46Å; L623-V627 VanDerWaalsContact O-CG2 3.28Å; L623-V627 WeakPolarHBondContact O-CG2 3.31Å; L623-V627 PolarHBondContact O-N 2.95Å
624	Q	87.6	Confident	76.8	Confident	83 Å²	83	57.5 Å²	57.5	39%	0.388	31%	0.306	S	S	.	.	H	α-helix	trans	-64.4	-46.6	176.8	-78.9	174.7	-15	0	0	111.1	M568 V620 V626 V627 V628	M568-Q624 HydrophobicContact CE-CG 4.44Å; M568-Q624 HydrophobicContact SD-CB 4.37Å; M568-Q624 HydrophobicContact SD-CG 3.56Å; M568-Q624 VanDerWaalsContact SD-CG 3.56Å; V620-Q624 HydrophobicContact CG1-CG 4.01Å; V620-Q624 VanDerWaalsContact CG1-NE2 3.29Å; V620-Q624 WeakPolarHBondContact O-CB 3.38Å; V620-Q624 VanDerWaalsContact O-CG 3.29Å; V620-Q624 WeakPolarHBondContact O-CG 3.17Å; V620-Q624 PolarHBondContact O-N 2.87Å; Q624-V626 PolarHBondContact O-N 3.08Å; Q624-V627 PolarHBondContact O-N 3Å; Q624-V628 WeakPolarHBondContact O-CB 3.38Å; Q624-V628 WeakPolarHBondContact O-CG2 3.33Å; Q624-V628 PolarHBondContact O-N 3.03Å; Q624-V628 VanDerWaalsContact O-N 3.15Å
625	G	75.6	Confident	74.7	Confident	62 Å²	62	54.7 Å²	54.7	64%	0.639	31%	0.306	S	S	*	.	H	α-helix	trans	-64.6	-5.1	173.8	0	0	0	0	0	115.3	E621	E621-G625 PolarHBondContact O-N 3.11Å
626	V	72.8	Confident	72.9	Confident	25 Å²	25	58.8 Å²	58.8	15%	0.152	33%	0.326	C	S	.	.	H	α-helix	trans	-109.4	-41	179	158.2	0	0	0	0	112.1	P318 L564 L622 L623 Q624	P318-V626 HydrophobicContact CB-CB 4.16Å; P318-V626 HydrophobicContact CB-CG1 3.26Å; P318-V626 HydrophobicContact CB-CG2 3.8Å; P318-V626 HydrophobicContact CG-CG1 3.65Å; P318-V626 HydrophobicContact CG-CG2 4.23Å; L564-V626 HydrophobicContact CD1-CG1 3.79Å; L622-V626 WeakPolarHBondContact O-CG2 3.32Å; L623-V626 WeakPolarHBondContact O-CB 3.47Å; L623-V626 PolarHBondContact O-N 3.21Å; L623-V626 VanDerWaalsContact O-N 3.15Å; Q624-V626 PolarHBondContact O-N 3.08Å
627	V	70.5	Confident	71	Confident	30 Å²	30	60.2 Å²	60.2	18%	0.182	33%	0.332	C	S	.	.	H	α-helix	trans	-86	-21.6	-173	174.2	0	0	0	0	111.7	L564 M568 L623 Q624 A630	L564-V627 HydrophobicContact CB-CG2 3.81Å; M568-V627 HydrophobicContact CE-CG1 4.32Å; M568-V627 HydrophobicContact SD-CB 4.22Å; M568-V627 HydrophobicContact SD-CG2 4.43Å; L623-V627 WeakPolarHBondContact O-CB 3.46Å; L623-V627 VanDerWaalsContact O-CG2 3.28Å; L623-V627 WeakPolarHBondContact O-CG2 3.31Å; L623-V627 PolarHBondContact O-N 2.95Å; Q624-V627 PolarHBondContact O-N 3Å; V627-A630 PolarHBondContact O-N 3.37Å
628	V	58.4	Low	69	Low	112 Å²	112	59.1 Å²	59.1	68%	0.679	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-24.7	-179.4	175.3	0	0	0	0	113	Q624 A630	Q624-V628 WeakPolarHBondContact O-CB 3.38Å; Q624-V628 WeakPolarHBondContact O-CG2 3.33Å; Q624-V628 PolarHBondContact O-N 3.03Å; Q624-V628 VanDerWaalsContact O-N 3.15Å; V628-A630 PolarHBondContact O-N 3.36Å; V628-A630 VanDerWaalsContact O-N 3.07Å
629	E	52.2	Low	67.2	Low	168 Å²	168	61.8 Å²	61.8	79%	0.785	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-4.3	170.1	-70.2	-65.4	124.7	0	0	113.5
630	A	49.6	Very low	65.4	Low	18 Å²	18	67.9 Å²	67.9	15%	0.149	37%	0.37	C	S	.	.	S	Bend	trans	-126.4	36.3	-153.7	0	0	0	0	0	115.6	R315 V627 V628	R315-A630 PolarHBondContact NH2-O 3.4Å; V627-A630 PolarHBondContact O-N 3.37Å; V628-A630 PolarHBondContact O-N 3.36Å; V628-A630 VanDerWaalsContact O-N 3.07Å
631	E	47.4	Very low	63.5	Low	121 Å²	121	68.1 Å²	68.1	57%	0.565	37%	0.371	S	S	*	.	S	Bend	trans	-175.1	155.9	157.7	-86.8	-36.8	125	0	0	108.9	R311 R315	R311-E631 IonicContact NH2-OE1 2.81Å; R315-E631 IonicContact CZ-OE1 3.68Å; R315-E631 IonicContact NH1-OE1 2.73Å; R315-E631 IonicContact NH2-OE1 2.67Å; R315-E631 PolarHBondContact NH2-OE1 2.79Å
632	P	49.9	Very low	61.4	Low	81 Å²	81	69 Å²	69	53%	0.526	38%	0.38	S	S	.	.	S	Bend	cis	-136.8	73.7	-9.8	36.9	-15	0	0	0	112.4
633	D	53.6	Low	59.5	Low	69 Å²	69	71.4 Å²	71.4	37%	0.369	40%	0.401	S	S	.	.			trans	-126	83.8	171.3	-164.6	-12.6	0	0	0	112.1	A635 Q636 F637	D633-A635 PolarHBondContact O-N 3.43Å; D633-A635 WeakPolarHBondContact OD1-CA 3.49Å; D633-A635 WeakPolarHBondContact OD1-CB 3.48Å; D633-A635 PolarHBondContact OD1-N 3.11Å; D633-Q636 HydrophobicContact CB-CB 3.98Å; D633-Q636 HydrophobicContact CB-CG 4.48Å; D633-Q636 PolarHBondContact O-N 3.3Å; D633-Q636 PolarHBondContact OD1-N 2.98Å; D633-Q636 VanDerWaalsContact OD2-CG 3.24Å; D633-Q636 WeakPolarHBondContact OD2-CG 3.38Å; D633-Q636 PolarHBondContact OD2-NE2 3.24Å; D633-F637 PolarHBondContact O-N 3.37Å; D633-F637 VanDerWaalsContact O-N 3.09Å
634	E	51.8	Low	57.5	Low	53 Å²	53	73.5 Å²	73.5	25%	0.248	41%	0.41	C	S	.	.	H	α-helix	trans	-67	-20.6	174.2	-52.4	-146.5	118.8	0	0	112.4	N268 R311 L638	N268-E634 VanDerWaalsContact ND2-CD 3.3Å; N268-E634 PolarHBondContact ND2-OE1 3.47Å; N268-E634 PolarHBondContact ND2-OE2 2.65Å; R311-E634 IonicContact CZ-OE1 3.68Å; R311-E634 IonicContact NH1-OE1 2.68Å; R311-E634 PolarHBondContact NH1-OE1 3.4Å; E634-L638 WeakPolarHBondContact O-CB 3.35Å; E634-L638 WeakPolarHBondContact O-CD1 3.45Å; E634-L638 WeakPolarHBondContact O-CG 3.4Å; E634-L638 PolarHBondContact O-N 3.15Å
635	A	51.7	Low	55.5	Low	50 Å²	50	77.5 Å²	77.5	41%	0.413	43%	0.428	S	S	.	.	H	α-helix	trans	-78.2	-38.3	176.1	0	0	0	0	0	111.4	D633 L638 S639	D633-A635 PolarHBondContact O-N 3.43Å; D633-A635 WeakPolarHBondContact OD1-CA 3.49Å; D633-A635 WeakPolarHBondContact OD1-CB 3.48Å; D633-A635 PolarHBondContact OD1-N 3.11Å; A635-L638 PolarHBondContact O-N 3.47Å; A635-S639 WeakPolarHBondContact O-CB 3.37Å; A635-S639 PolarHBondContact O-N 3.05Å; A635-S639 PolarHBondContact O-OG 2.95Å
636	Q	58.5	Low	54	Low	89 Å²	89	77 Å²	77	42%	0.416	41%	0.414	S	S	.	.	H	α-helix	trans	-63.5	-39.7	167.6	-96.6	-176.2	77.6	0	0	112.5	D633 S639 R640	D633-Q636 HydrophobicContact CB-CB 3.98Å; D633-Q636 HydrophobicContact CB-CG 4.48Å; D633-Q636 PolarHBondContact O-N 3.3Å; D633-Q636 PolarHBondContact OD1-N 2.98Å; D633-Q636 VanDerWaalsContact OD2-CG 3.24Å; D633-Q636 WeakPolarHBondContact OD2-CG 3.38Å; D633-Q636 PolarHBondContact OD2-NE2 3.24Å; Q636-S639 WeakPolarHBondContact CA-OG 3.49Å; Q636-S639 PolarHBondContact O-OG 3.16Å; Q636-R640 VanDerWaalsContact O-CG 3.3Å; Q636-R640 WeakPolarHBondContact O-CG 3.44Å; Q636-R640 PolarHBondContact O-N 3.06Å
637	F	56.8	Low	52.4	Low	36 Å²	36	80.2 Å²	80.2	16%	0.158	44%	0.444	C	S	.	.	H	α-helix	trans	-58.5	-58.5	172.9	-175.6	-116.1	0	0	0	109.2	L307 R311 E324 D633 S639 R640 L641	L307-F637 HydrophobicContact CB-CE1 4.21Å; L307-F637 HydrophobicContact CB-CZ 3.95Å; L307-F637 HydrophobicContact CD2-CZ 4.46Å; R311-F637 HydrophobicContact CB-CZ 4.27Å; E324-F637 VanDerWaalsContact OE2-CE2 3.28Å; E324-F637 WeakPolarHBondContact OE2-CE2 3.39Å; D633-F637 PolarHBondContact O-N 3.37Å; D633-F637 VanDerWaalsContact O-N 3.09Å; F637-S639 VanDerWaalsContact C-N 3.33Å; F637-S639 PolarHBondContact O-N 2.98Å; F637-R640 PolarHBondContact O-N 3.09Å; F637-L641 HydrophobicContact CD1-CD1 3.59Å; F637-L641 HydrophobicContact CD2-CD1 4.2Å; F637-L641 HydrophobicContact CE1-CD1 3.51Å; F637-L641 HydrophobicContact CE2-CD1 4.13Å; F637-L641 HydrophobicContact CG-CD1 3.95Å; F637-L641 HydrophobicContact CZ-CD1 3.81Å; F637-L641 WeakPolarHBondContact O-CD1 3.41Å; F637-L641 WeakPolarHBondContact O-CG 3.3Å; F637-L641 PolarHBondContact O-N 2.69Å
638	L	53.5	Low	50.7	Low	52 Å²	52	83.5 Å²	83.5	27%	0.272	47%	0.473	S	S	.	.	H	α-helix	trans	-57.3	-39.5	-179.9	-69.5	168.9	0	0	0	113.4	F304 E634 A635 L641 D642	F304-L638 HydrophobicContact CD2-CD2 3.95Å; F304-L638 HydrophobicContact CE2-CD2 4.11Å; E634-L638 WeakPolarHBondContact O-CB 3.35Å; E634-L638 WeakPolarHBondContact O-CD1 3.45Å; E634-L638 WeakPolarHBondContact O-CG 3.4Å; E634-L638 PolarHBondContact O-N 3.15Å; A635-L638 PolarHBondContact O-N 3.47Å; L638-L641 WeakPolarHBondContact O-CB 3.15Å; L638-L641 PolarHBondContact O-N 2.8Å; L638-L641 VanDerWaalsContact O-N 3.13Å; L638-D642 PolarHBondContact O-N 3.39Å
639	S	57	Low	49.7	Very low	67 Å²	67	81.6 Å²	81.6	47%	0.469	46%	0.462	S	S	.	.	H	α-helix	trans	-70.5	-35.4	179.8	69.5	0	0	0	0	114	A635 Q636 F637 L641 D642 S643	A635-S639 WeakPolarHBondContact O-CB 3.37Å; A635-S639 PolarHBondContact O-N 3.05Å; A635-S639 PolarHBondContact O-OG 2.95Å; Q636-S639 WeakPolarHBondContact CA-OG 3.49Å; Q636-S639 PolarHBondContact O-OG 3.16Å; F637-S639 VanDerWaalsContact C-N 3.33Å; F637-S639 PolarHBondContact O-N 2.98Å; S639-L641 PolarHBondContact O-N 3.47Å; S639-D642 PolarHBondContact O-N 3.34Å; S639-S643 PolarHBondContact O-N 3.39Å; S639-S643 VanDerWaalsContact O-N 3.16Å
640	R	59.5	Low	48.8	Very low	128 Å²	128	77.4 Å²	77.4	48%	0.483	46%	0.456	S	S	.	.	H	α-helix	trans	-61.5	-34.8	169.6	-70.8	177.6	-156.5	-175.6	8.5	110.9	Q636 F637 S643 F644	Q636-R640 VanDerWaalsContact O-CG 3.3Å; Q636-R640 WeakPolarHBondContact O-CG 3.44Å; Q636-R640 PolarHBondContact O-N 3.06Å; F637-R640 PolarHBondContact O-N 3.09Å; R640-S643 WeakPolarHBondContact CA-OG 3.35Å; R640-S643 PolarHBondContact O-N 2.97Å; R640-S643 PolarHBondContact O-OG 2.69Å; R640-F644 WeakPolarHBondContact O-CB 3.45Å; R640-F644 PolarHBondContact O-N 3.49Å; R640-F644 VanDerWaalsContact O-N 3.13Å
641	L	53.4	Low	47.9	Very low	17 Å²	17	81.7 Å²	81.7	9%	0.089	49%	0.485	C	S	.	.	H	α-helix	trans	-73.9	-34.5	-179.3	-59.8	167.1	0	0	0	112.6	R303 L307 F637 L638 S639 S643 F644	R303-L641 PolarHBondContact NE-O 2.64Å; R303-L641 PolarHBondContact NH1-O 3.19Å; R303-L641 VanDerWaalsContact NH1-O 3.15Å; R303-L641 PolarHBondContact NH2-O 3.37Å; L307-L641 HydrophobicContact CB-CD1 4.27Å; L307-L641 HydrophobicContact CD1-CB 4.27Å; L307-L641 HydrophobicContact CD1-CD1 3.63Å; L307-L641 HydrophobicContact CD1-CD2 3.53Å; L307-L641 HydrophobicContact CD1-CG 3.93Å; L307-L641 HydrophobicContact CD2-CD1 4.32Å; L307-L641 HydrophobicContact CD2-CD2 3.39Å; L307-L641 HydrophobicContact CD2-CG 4.42Å; L307-L641 HydrophobicContact CG-CD1 4.28Å; L307-L641 HydrophobicContact CG-CD2 4.04Å; F637-L641 HydrophobicContact CD1-CD1 3.59Å; F637-L641 HydrophobicContact CD2-CD1 4.2Å; F637-L641 HydrophobicContact CE1-CD1 3.51Å; F637-L641 HydrophobicContact CE2-CD1 4.13Å; F637-L641 HydrophobicContact CG-CD1 3.95Å; F637-L641 HydrophobicContact CZ-CD1 3.81Å; F637-L641 WeakPolarHBondContact O-CD1 3.41Å; F637-L641 WeakPolarHBondContact O-CG 3.3Å; F637-L641 PolarHBondContact O-N 2.69Å; L638-L641 WeakPolarHBondContact O-CB 3.15Å; L638-L641 PolarHBondContact O-N 2.8Å; L638-L641 VanDerWaalsContact O-N 3.13Å; S639-L641 PolarHBondContact O-N 3.47Å; L641-S643 VanDerWaalsContact C-N 3.29Å; L641-F644 PolarHBondContact O-N 2.78Å
642	D	49.2	Very low	47.2	Very low	143 Å²	143	80.5 Å²	80.5	77%	0.765	49%	0.488	S	S	*	.	H	α-helix	trans	-68.7	-29.9	170.9	-64.8	-29.9	0	0	0	111.7	L638 S639	L638-D642 PolarHBondContact O-N 3.39Å; S639-D642 PolarHBondContact O-N 3.34Å
643	S	51.1	Low	46.4	Very low	96 Å²	96	80 Å²	80	67%	0.671	50%	0.497	S	S	*	.	H	α-helix	trans	-81.1	-14.3	177.4	72.6	0	0	0	0	115.8	S639 R640 L641	S639-S643 PolarHBondContact O-N 3.39Å; S639-S643 VanDerWaalsContact O-N 3.16Å; R640-S643 WeakPolarHBondContact CA-OG 3.35Å; R640-S643 PolarHBondContact O-N 2.97Å; R640-S643 PolarHBondContact O-OG 2.69Å; L641-S643 VanDerWaalsContact C-N 3.29Å
644	F	47.9	Very low	45.3	Very low	43 Å²	43	80.2 Å²	80.2	19%	0.189	52%	0.516	C	S	.	.			trans	-93.9	103.1	-175.1	-179	-80.1	0	0	0	111.1	R303 Y328 H329 R640 L641 P646	R303-F644 PolarHBondContact NH1-O 2.97Å; R303-F644 PolarHBondContact NH2-O 3.04Å; Y328-F644 HydrophobicContact CD1-CD1 4.41Å; Y328-F644 HydrophobicContact CD1-CE1 4.02Å; Y328-F644 HydrophobicContact CD1-CZ 4.45Å; Y328-F644 AromaticContact CE1-CD1 3.84Å; Y328-F644 HydrophobicContact CE1-CD1 3.84Å; Y328-F644 AromaticContact CE1-CE1 3.65Å; Y328-F644 HydrophobicContact CE1-CE1 3.65Å; Y328-F644 HydrophobicContact CE1-CZ 4.5Å; H329-F644 AromaticContact CD2-CZ 3.87Å; H329-F644 AromaticContact CE1-CE2 3.43Å; H329-F644 VanDerWaalsContact CE1-CE2 3.43Å; H329-F644 WeakPolarHBondContact CE1-CE2 3.38Å; H329-F644 AromaticContact CE1-CZ 3.58Å; H329-F644 AromaticContact NE2-CE2 3.52Å; H329-F644 AromaticContact NE2-CZ 3.39Å; H329-F644 WeakPolarHBondContact NE2-CZ 3.25Å; R640-F644 WeakPolarHBondContact O-CB 3.45Å; R640-F644 PolarHBondContact O-N 3.49Å; R640-F644 VanDerWaalsContact O-N 3.13Å; L641-F644 PolarHBondContact O-N 2.78Å; F644-P646 HydrophobicContact CE1-CB 4.36Å
645	E	46	Very low	44.4	Very low	167 Å²	167	89.9 Å²	89.9	78%	0.78	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-76.1	132.4	159.2	-74.3	-159.8	131.3	0	0	110.1	A647	E645-A647 PolarHBondContact O-N 3.35Å
646	P	43.8	Very low	43.7	Very low	51 Å²	51	93.1 Å²	93.1	33%	0.331	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-67.4	125.1	166.7	29.5	-31.7	0	0	0	109	F171 F644 A648	F171-P646 HydrophobicContact CZ-CG 4.06Å; F644-P646 HydrophobicContact CE1-CB 4.36Å; P646-A648 PolarHBondContact O-N 2.98Å
647	A	37.9	Very low	42.4	Very low	94 Å²	94	92.1 Å²	92.1	78%	0.777	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-50.2	118.9	175.5	0	0	0	0	0	110.1	E645 V649	E645-A647 PolarHBondContact O-N 3.35Å; A647-V649 PolarHBondContact O-N 2.63Å; A647-V649 VanDerWaalsContact O-N 3.09Å
648	A	35.1	Very low	41.2	Very low	98 Å²	98	100 Å²	100	81%	0.81	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-58.1	117.9	-171.2	0	0	0	0	0	110.3	P646 A650	P646-A648 PolarHBondContact O-N 2.98Å; A648-A650 PolarHBondContact O-N 3.01Å
649	V	38.2	Very low	40.3	Very low	72 Å²	72	102.9 Å²	102.9	44%	0.436	65%	0.646	S	S	.	*			trans	-62.2	105.4	179.2	176.9	0	0	0	0	108.2	Q358 A647 S651	Q358-V649 HydrophobicContact CG-CG1 4.44Å; A647-V649 PolarHBondContact O-N 2.63Å; A647-V649 VanDerWaalsContact O-N 3.09Å; V649-S651 PolarHBondContact O-N 3.04Å; V649-S651 VanDerWaalsContact O-N 3.12Å
650	A	32.2	Very low	39.3	Very low	81 Å²	81	106.7 Å²	106.7	67%	0.669	66%	0.66	S	S	*	*			trans	-57.1	118.5	-177.3	0	0	0	0	0	109.7	A648	A648-A650 PolarHBondContact O-N 3.01Å
651	S	31.5	Very low	38.1	Very low	108 Å²	108	112.8 Å²	112.8	76%	0.755	68%	0.683	S	S	*	*			trans	-58.3	126.8	-172.9	-52.6	0	0	0	0	110.8	V649 G653	V649-S651 PolarHBondContact O-N 3.04Å; V649-S651 VanDerWaalsContact O-N 3.12Å; S651-G653 PolarHBondContact O-N 3.49Å
652	P	33.1	Very low	37.2	Very low	96 Å²	96	118.6 Å²	118.6	62%	0.623	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	72.3	-175.2	30.1	-35.6	0	0	0	112
653	G	32.1	Very low	36.7	Very low	69 Å²	69	115.1 Å²	115.1	71%	0.711	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.2	-11.1	-178.9	0	0	0	0	0	116	S651 R655	S651-G653 PolarHBondContact O-N 3.49Å; G653-R655 PolarHBondContact O-N 2.93Å; G653-R655 VanDerWaalsContact O-N 3.13Å
654	G	30.7	Very low	35.9	Very low	75 Å²	75	119.9 Å²	119.9	77%	0.773	71%	0.705	S	S	*	*			trans	-80	86.2	-176.7	0	0	0	0	0	114.9	S656	G654-S656 PolarHBondContact O-N 3.1Å; G654-S656 VanDerWaalsContact O-N 3.12Å
655	R	33.3	Very low	35.8	Very low	255 Å²	255	121.6 Å²	121.6	96%	0.962	72%	0.722	S	S	*	*			trans	-78.8	86.2	174.2	-90.2	-169.1	172.7	-169.1	1.5	113.9	G653	G653-R655 PolarHBondContact O-N 2.93Å; G653-R655 VanDerWaalsContact O-N 3.13Å
656	S	36.2	Very low	35.9	Very low	118 Å²	118	115.2 Å²	115.2	83%	0.825	70%	0.698	S	S	*	*			trans	-170.1	128.7	153.5	53.4	0	0	0	0	108.3	G654	G654-S656 PolarHBondContact O-N 3.1Å; G654-S656 VanDerWaalsContact O-N 3.12Å
657	G	31.7	Very low	35.9	Very low	68 Å²	68	116 Å²	116	70%	0.701	71%	0.708	S	S	*	*			cis	143.4	133	12.1	0	0	0	0	0	107.3
658	Q	31	Very low	36.4	Very low	201 Å²	201	115.7 Å²	115.7	94%	0.939	69%	0.693	S	S	*	*			trans	68.5	88.3	-174.5	-54.5	178.9	-40.3	0	0	117.1
659	S	35.8	Very low	37.1	Very low	114 Å²	114	116.2 Å²	116.2	80%	0.797	68%	0.682	S	S	*	*			trans	-161.6	127.6	134.3	49.5	0	0	0	0	113
660	D	34.9	Very low	37.6	Very low	146 Å²	146	119.2 Å²	119.2	78%	0.781	70%	0.696	S	S	*	*			trans	42.2	77.2	145.3	-54.4	-15.8	0	0	0	121	L662	D660-L662 VanDerWaalsContact C-N 3.29Å; D660-L662 PolarHBondContact O-N 3.15Å
661	R	35	Very low	38.4	Very low	256 Å²	256	120.5 Å²	120.5	97%	0.966	70%	0.698	S	S	*	*			trans	-67.8	82.7	148.8	-82.9	-177.3	163.1	-175.2	-4.3	111.1	S663	R661-S663 PolarHBondContact O-N 3.45Å
662	L	34.2	Very low	39.1	Very low	139 Å²	139	123 Å²	123	73%	0.728	70%	0.7	S	S	*	*			trans	-78.5	100.8	162.7	-79.8	170.6	0	0	0	110.2	D660 A666	D660-L662 VanDerWaalsContact C-N 3.29Å; D660-L662 PolarHBondContact O-N 3.15Å; L662-A666 HydrophobicContact CD2-CB 3.91Å
663	S	40.1	Very low	39.7	Very low	70 Å²	70	122.9 Å²	122.9	49%	0.49	70%	0.701	S	S	.	*			trans	-59.3	148.6	171.3	176.9	0	0	0	0	111.3	R661 C665 A666	R661-S663 PolarHBondContact O-N 3.45Å; S663-C665 PolarHBondContact O-N 2.9Å; S663-C665 PolarHBondContact OG-N 2.95Å; S663-A666 WeakPolarHBondContact O-CB 3.05Å; S663-A666 PolarHBondContact O-N 3.35Å
664	Y	33.1	Very low	40.2	Very low	196 Å²	196	124.4 Å²	124.4	77%	0.769	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.6	-27.8	173.7	-175.7	-101.7	0	0	0	113.1	I668	Y664-I668 HydrophobicContact CD1-CD1 4.44Å; Y664-I668 HydrophobicContact CE1-CD1 4.14Å
665	C	45.2	Very low	40.5	Very low	79 Å²	79	128.4 Å²	128.4	53%	0.534	71%	0.705	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.4	-41.5	173.7	-54.5	0	0	0	0	112.8	S663 A667 I668 D669	S663-C665 PolarHBondContact O-N 2.9Å; S663-C665 PolarHBondContact OG-N 2.95Å; C665-A667 PolarHBondContact O-N 2.78Å; C665-I668 WeakPolarHBondContact O-CB 3.43Å; C665-I668 PolarHBondContact O-N 2.9Å; C665-D669 PolarHBondContact O-N 3.28Å
666	A	48.9	Very low	40.7	Very low	33 Å²	33	121.5 Å²	121.5	27%	0.273	70%	0.696	S	S	.	*	H	α-helix	trans	-67	-24.1	-176.9	0	0	0	0	0	112.9	L662 S663 I668	L662-A666 HydrophobicContact CD2-CB 3.91Å; S663-A666 WeakPolarHBondContact O-CB 3.05Å; S663-A666 PolarHBondContact O-N 3.35Å; A666-I668 VanDerWaalsContact C-N 3.27Å; A666-I668 PolarHBondContact O-N 2.77Å
667	A	44.3	Very low	41.1	Very low	67 Å²	67	125.5 Å²	125.5	55%	0.554	72%	0.719	S	S	*	*	H	α-helix	trans	-73.5	-15.7	172.4	0	0	0	0	0	113.6	C665	C665-A667 PolarHBondContact O-N 2.78Å
668	I	47.7	Very low	41.6	Very low	89 Å²	89	128.4 Å²	128.4	46%	0.456	72%	0.72	S	S	.	*	H	α-helix	trans	-90.6	-43.3	178.2	-63.2	175.8	0	0	0	110.4	Y664 C665 A666 N670 C671	Y664-I668 HydrophobicContact CD1-CD1 4.44Å; Y664-I668 HydrophobicContact CE1-CD1 4.14Å; C665-I668 WeakPolarHBondContact O-CB 3.43Å; C665-I668 PolarHBondContact O-N 2.9Å; A666-I668 VanDerWaalsContact C-N 3.27Å; A666-I668 PolarHBondContact O-N 2.77Å; I668-N670 PolarHBondContact O-N 3.37Å; I668-C671 PolarHBondContact O-N 2.94Å; I668-C671 VanDerWaalsContact O-N 3.12Å
669	D	50.1	Low	42.2	Very low	109 Å²	109	124.5 Å²	124.5	58%	0.583	71%	0.708	S	S	*	*	H	α-helix	trans	-63.8	-40.1	-177.5	-63.5	-38.2	0	0	0	112.2	C665 C671 M672	C665-D669 PolarHBondContact O-N 3.28Å; D669-C671 PolarHBondContact O-N 3.39Å; D669-M672 PolarHBondContact O-N 3.46Å
670	N	49.2	Very low	42.5	Very low	135 Å²	135	125.1 Å²	125.1	72%	0.722	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-13	175.7	-91.3	-0.3	0	0	0	114.6	I668	I668-N670 PolarHBondContact O-N 3.37Å
671	C	47.6	Very low	43	Very low	107 Å²	107	123.9 Å²	123.9	72%	0.723	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	1.8	175	-73.6	0	0	0	0	113.6	I668 D669	I668-C671 PolarHBondContact O-N 2.94Å; I668-C671 VanDerWaalsContact O-N 3.12Å; D669-C671 PolarHBondContact O-N 3.39Å
672	M	47.5	Very low	43.5	Very low	162 Å²	162	115.6 Å²	115.6	80%	0.798	68%	0.682	S	S	*	*	S	Bend	trans	-117.7	-0.5	-174.1	-72.9	-70.9	169.6	0	0	114.5	D669	D669-M672 PolarHBondContact O-N 3.46Å
673	S	46.1	Very low	44.1	Very low	92 Å²	92	114.1 Å²	114.1	64%	0.643	68%	0.679	S	S	*	*			trans	-139.6	69.2	-173.5	63.4	0	0	0	0	114.2
674	S	41.8	Very low	44.4	Very low	102 Å²	102	117.2 Å²	117.2	71%	0.713	69%	0.692	S	S	*	*	S	Bend	trans	-146.5	92.3	157.5	51.7	0	0	0	0	111.8
675	D	37.6	Very low	45.2	Very low	159 Å²	159	111.2 Å²	111.2	85%	0.85	69%	0.686	S	S	*	*			trans	53.6	102.9	147.5	-51.6	-20.6	0	0	0	120.3
676	S	36.2	Very low	45.2	Very low	110 Å²	110	113.8 Å²	113.8	77%	0.769	70%	0.699	S	S	*	*			trans	-80.9	162.3	131.7	-42	0	0	0	0	108.3
677	P	46.1	Very low	44.9	Very low	201 Å²	201	121.2 Å²	121.2	100%	1.305	74%	0.738	S	S	*	*			cis	-84.1	0	23	32.3	-36.3	0	0	0	116.2

Retrieved 677 of 677 residues in 996.8 ms (Link to these results)

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