A0A087XK57_POEFO Loading...

Serine/threonine-protein kinase PLK

AlphaFold DB , UniProt , Accession A0A087XK57, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 667 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	29.8	Very low	24.8	Very low	232 Å²	232	150.6 Å²	150.6	100%	1.143	85%	0.85	S	S	*	*				0	75.9	0	-67	176.9	176.1	0	0	108
2	D	22.9	Very low	24.9	Very low	155 Å²	155	151.7 Å²	151.7	83%	0.829	85%	0.849	S	S	*	*				35.5	140	110.4	-55.7	9.9	0	0	0	117.8
3	S	22.8	Very low	24.7	Very low	112 Å²	112	147.6 Å²	147.6	78%	0.783	84%	0.837	S	S	*	*			cis	-177.8	149.6	-5.1	48.3	0	0	0	0	111.7
4	G	26.4	Very low	24.6	Very low	77 Å²	77	145.4 Å²	145.4	79%	0.794	83%	0.833	S	S	*	*			trans	70.9	165.3	154.8	0	0	0	0	0	118.5
5	C	24.1	Very low	24.5	Very low	129 Å²	129	147.1 Å²	147.1	87%	0.872	83%	0.831	S	S	*	*			cis	-158.2	171.2	-14.2	-147.3	0	0	0	0	111.6
6	F	23.1	Very low	24.4	Very low	187 Å²	187	147.1 Å²	147.1	82%	0.82	83%	0.828	S	S	*	*			trans	-69.6	167	-179.5	-76.6	-106.8	0	0	0	113.1
7	N	26.1	Very low	24.5	Very low	146 Å²	146	148.2 Å²	148.2	78%	0.781	83%	0.827	S	S	*	*				-167.9	139.6	55.8	-108.1	-31.4	0	0	0	109.7
8	A	23.5	Very low	24.6	Very low	86 Å²	86	146.6 Å²	146.6	71%	0.711	82%	0.817	S	S	*	*				81.4	96.8	75.1	0	0	0	0	0	116.6
9	A	22.4	Very low	24.6	Very low	95 Å²	95	143.8 Å²	143.8	79%	0.785	81%	0.814	S	S	*	*			trans	-159.2	91.8	156.9	0	0	0	0	0	112
10	Q	27.3	Very low	24.8	Very low	205 Å²	205	143.1 Å²	143.1	96%	0.958	81%	0.808	S	S	*	*			trans	172.4	105	146.5	-97.1	165.8	22.4	0	0	109.7
11	R	24.5	Very low	24.8	Very low	233 Å²	233	143.5 Å²	143.5	88%	0.879	81%	0.808	S	S	*	*			trans	-129.3	145.2	177.9	-119.5	-176.9	-170.1	166.9	3.9	108.1
12	I	25.8	Very low	24.8	Very low	163 Å²	163	142 Å²	142	84%	0.836	80%	0.795	S	S	*	*			trans	74.3	132.7	167.7	-51.3	148.1	0	0	0	112.7
13	S	22.5	Very low	25	Very low	99 Å²	99	144 Å²	144	69%	0.692	80%	0.796	S	S	*	*			cis	-136.1	160.3	14.1	-149.5	0	0	0	0	109.2
14	C	23.1	Very low	25.2	Very low	116 Å²	116	144.7 Å²	144.7	78%	0.784	80%	0.798	S	S	*	*			cis	-146.3	144.8	33.9	-57.9	0	0	0	0	113.4
15	H	22.8	Very low	25.3	Very low	171 Å²	171	147.6 Å²	147.6	79%	0.792	80%	0.801	S	S	*	*			trans	-93.8	136.9	155	-97.3	-7	0	0	0	109.7
16	N	24.2	Very low	25.6	Very low	147 Å²	147	147.1 Å²	147.1	79%	0.786	80%	0.795	S	S	*	*				-179.2	107.7	116.8	-92.5	-15.3	0	0	0	111.6
17	M	25	Very low	25.7	Very low	166 Å²	166	147.4 Å²	147.4	82%	0.818	80%	0.799	S	S	*	*			trans	34.2	147.8	136.6	-56.5	-167.3	178.2	0	0	121.4
18	N	27.4	Very low	25.7	Very low	120 Å²	120	152.6 Å²	152.6	64%	0.642	81%	0.808	S	S	*	*			cis	-144.8	152.7	12.8	-151.8	13.8	0	0	0	114.2	D20	N18-D20 PolarHBondContact ND2-OD2 2.89Å
19	A	24.6	Very low	25.8	Very low	93 Å²	93	152.3 Å²	152.3	77%	0.769	81%	0.814	S	S	*	*			trans	-133.8	98	173.3	0	0	0	0	0	109.7
20	D	27.2	Very low	25.9	Very low	129 Å²	129	156.7 Å²	156.7	69%	0.69	82%	0.818	S	S	*	*			trans	-133.2	64.2	179.7	-85.9	-47.9	0	0	0	111.1	N18	N18-D20 PolarHBondContact ND2-OD2 2.89Å
21	L	25.7	Very low	26	Very low	153 Å²	153	156 Å²	156	80%	0.801	81%	0.814	S	S	*	*			trans	-130.8	135.9	157.7	-84.2	167.1	0	0	0	107.5
22	F	29.1	Very low	26	Very low	200 Å²	200	152.9 Å²	152.9	88%	0.877	81%	0.809	S	S	*	*			trans	76.7	81.8	-177.7	-46.4	-70.5	0	0	0	116.9
23	K	28.5	Very low	25.9	Very low	196 Å²	196	150.9 Å²	150.9	85%	0.852	81%	0.81	S	S	*	*			trans	-129.5	144.1	143	-77	-171.7	179.2	174.9	0	110.3
24	P	25.8	Very low	26	Very low	127 Å²	127	152 Å²	152	83%	0.825	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-81	160.3	178.1	33.4	-34.5	0	0	0	112.5
25	V	29.7	Very low	26.2	Very low	139 Å²	139	151.4 Å²	151.4	84%	0.842	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-93.6	138.3	-176.5	-180	0	0	0	0	111
26	P	28.8	Very low	26.4	Very low	118 Å²	118	147.6 Å²	147.6	77%	0.766	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-91	154.9	174.9	35.6	-34.1	0	0	0	113.8
27	E	25.3	Very low	26.6	Very low	193 Å²	193	147.2 Å²	147.2	90%	0.902	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-75.6	148.1	179.3	-55.4	176.4	133.5	0	0	113.9
28	R	27.7	Very low	26.8	Very low	255 Å²	255	148.8 Å²	148.8	96%	0.962	83%	0.825	S	S	*	*			trans	-157.3	139.4	146.9	-75.6	-158.6	177.7	175.2	-0.8	112.7
29	G	24.4	Very low	26.9	Very low	81 Å²	81	151.2 Å²	151.2	84%	0.835	84%	0.838	S	S	*	*			trans	101.9	112.8	136.8	0	0	0	0	0	118.6
30	H	25.6	Very low	27.1	Very low	187 Å²	187	151.5 Å²	151.5	87%	0.866	83%	0.834	S	S	*	*			trans	-68.3	146.2	166.5	-75.2	-77.4	0	0	0	113.1
31	H	27.8	Very low	27.5	Very low	189 Å²	189	157.2 Å²	157.2	88%	0.875	85%	0.846	S	S	*	*				-160.3	171.4	126.9	-99.1	-63.5	0	0	0	110.8
32	Q	24.8	Very low	27.9	Very low	168 Å²	168	157.3 Å²	157.3	79%	0.785	85%	0.848	S	S	*	*			trans	-106.5	148.6	-146.8	-64.5	163.8	-48.2	0	0	117.3
33	S	24.3	Very low	28	Very low	121 Å²	121	157.3 Å²	157.3	85%	0.846	85%	0.847	S	S	*	*			trans	64.2	150.4	156.6	78.2	0	0	0	0	117.3
34	S	25.1	Very low	28.3	Very low	122 Å²	122	153.2 Å²	153.2	85%	0.853	84%	0.841	S	S	*	*			cis	-144	174	18.1	55.2	0	0	0	0	112
35	A	26.6	Very low	28.6	Very low	105 Å²	105	156.3 Å²	156.3	87%	0.868	84%	0.844	S	S	*	*			trans	-98.3	146	-164.2	0	0	0	0	0	115.3
36	A	26.9	Very low	28.9	Very low	91 Å²	91	157.9 Å²	157.9	75%	0.752	84%	0.842	S	S	*	*			trans	-156.4	107.8	152.4	0	0	0	0	0	113.1
37	T	28.2	Very low	29.2	Very low	139 Å²	139	156 Å²	156	85%	0.853	85%	0.845	S	S	*	*			trans	50.8	116.2	140.3	-28.5	0	0	0	0	121.4
38	K	30.1	Very low	29.4	Very low	199 Å²	199	155.8 Å²	155.8	87%	0.865	84%	0.841	S	S	*	*			trans	-58.9	143.6	160.8	-68.2	173.1	176	173.8	0	111.4
39	N	29.8	Very low	29.7	Very low	170 Å²	170	149.7 Å²	149.7	91%	0.909	83%	0.834	S	S	*	*			trans	-146.6	131.1	140.7	-123.7	-20.1	0	0	0	112.1
40	S	28.4	Very low	30.5	Very low	100 Å²	100	155 Å²	155	70%	0.699	84%	0.837	S	S	*	*			trans	-94.8	136.4	-179.3	169.4	0	0	0	0	110.3
41	R	34.3	Very low	31.7	Very low	248 Å²	248	154 Å²	154	94%	0.936	84%	0.837	S	S	*	*			trans	-157.6	107.1	154.4	-112.5	169.4	-169.5	-174	3.3	111.4
42	N	34.2	Very low	33.3	Very low	155 Å²	155	147.9 Å²	147.9	83%	0.829	82%	0.82	S	S	*	*			trans	-69.7	140.4	167.2	-72.8	-24.7	0	0	0	110.9
43	K	31.1	Very low	36.2	Very low	201 Å²	201	145.2 Å²	145.2	87%	0.874	81%	0.807	S	S	*	*			trans	-161.5	141.3	141.3	-111.8	178.9	-177.1	-175	0	110.6
44	P	36.5	Very low	39.5	Very low	110 Å²	110	143.2 Å²	143.2	71%	0.714	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-80.7	130.1	175.8	31.9	-32.3	0	0	0	110.6	H46	P44-H46 PolarHBondContact O-N 3.48Å
45	E	31.3	Very low	42.9	Very low	191 Å²	191	138 Å²	138	89%	0.893	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-67.1	128.4	174.3	-75	-163	123.5	0	0	111.3
46	H	36.9	Very low	46.1	Very low	172 Å²	172	136 Å²	136	80%	0.796	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-75.8	131.7	164.5	-75.1	25.3	0	0	0	109.1	P44 K48	P44-H46 PolarHBondContact O-N 3.48Å; H46-K48 PolarHBondContact O-N 2.61Å
47	G	33.8	Very low	49.4	Very low	80 Å²	80	132.2 Å²	132.2	83%	0.825	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-61	125.5	-179.7	0	0	0	0	0	112.4
48	K	28.9	Very low	52.6	Low	188 Å²	188	129.9 Å²	129.9	82%	0.817	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-68.9	147.1	168	-68.4	175.6	-179.3	170.6	0	109.7	H46 E50	H46-K48 PolarHBondContact O-N 2.61Å; K48-E50 PolarHBondContact O-N 3.39Å
49	P	35.8	Very low	55.6	Low	126 Å²	126	128.6 Å²	128.6	82%	0.818	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-63.2	124	171.3	26.6	-33	0	0	0	110	L51	P49-L51 PolarHBondContact O-N 3.23Å
50	E	41.1	Very low	58.7	Low	192 Å²	192	124.4 Å²	124.4	90%	0.897	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-65.2	123	174.3	-167.5	175.2	-174.1	0	0	108.9	K48 A52	K48-E50 PolarHBondContact O-N 3.39Å; E50-A52 PolarHBondContact O-N 2.9Å
51	L	50.9	Low	61.8	Low	166 Å²	166	122.2 Å²	122.2	87%	0.869	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-60.2	127.1	178.5	-79.1	162.7	0	0	0	109.5	P49 Q53	P49-L51 PolarHBondContact O-N 3.23Å; L51-Q53 PolarHBondContact O-N 3.15Å
52	A	60.5	Low	64.7	Low	62 Å²	62	116.2 Å²	116.2	51%	0.512	63%	0.63	S	S	.	*			trans	-61.1	112.6	-176.9	0	0	0	0	0	110.9	E50 V54	E50-A52 PolarHBondContact O-N 2.9Å; A52-V54 PolarHBondContact O-N 3.41Å
53	Q	86.6	Confident	67.7	Low	111 Å²	111	110.6 Å²	110.6	52%	0.519	60%	0.603	S	S	.	*			trans	-68.7	116.5	179.6	-173.5	-179.5	22.1	0	0	109.6	L51 K66	L51-Q53 PolarHBondContact O-N 3.15Å; Q53-K66 HydrophobicContact CB-CB 4.36Å; Q53-K66 HydrophobicContact CB-CD 4.32Å; Q53-K66 WeakPolarHBondContact O-CB 3.44Å; Q53-K66 PolarHBondContact O-N 2.9Å
54	V	93.5	Very high	70.8	Confident	80 Å²	80	101.1 Å²	101.1	49%	0.485	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.1	136.6	175.1	-177.7	0	0	0	0	109.7	A52 Y64 L84	A52-V54 PolarHBondContact O-N 3.41Å; V54-Y64 WeakPolarHBondContact CA-O 3.43Å; V54-L84 HydrophobicContact CG1-CD1 4.27Å
55	V	94.9	Very high	73.7	Confident	12 Å²	12	97.2 Å²	97.2	7%	0.073	54%	0.537	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.8	173	-178.1	0	0	0	0	108	S63 Y64 M81 F131 Y138	V55-S63 CarbonylContact O-C 3.53Å; V55-S63 WeakPolarHBondContact O-CA 3.01Å; V55-Y64 PolarHBondContact N-O 3.02Å; V55-Y64 PolarHBondContact O-N 2.92Å; V55-M81 HydrophobicContact CG2-CE 4.43Å; V55-F131 HydrophobicContact CG1-CE2 4.1Å; V55-F131 HydrophobicContact CG1-CZ 3.86Å; V55-Y138 HydrophobicContact CG1-CD1 4.36Å; V55-Y138 HydrophobicContact CG1-CE1 3.68Å; V55-Y138 HydrophobicContact CG1-CE2 4.12Å; V55-Y138 HydrophobicContact CG2-CE1 4.28Å
56	T	95.5	Very high	76.8	Confident	64 Å²	64	90.6 Å²	90.6	39%	0.393	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.2	179.6	-57.3	0	0	0	0	110.5	P58 R62 S63	T56-P58 WeakPolarHBondContact O-CD 3.4Å; T56-R62 CarbonylContact C-O 3.55Å; T56-R62 WeakPolarHBondContact CA-O 3.24Å; T56-S63 PolarHBondContact OG1-OG 3.36Å
57	D	95.6	Very high	79.5	Confident	11 Å²	11	84.2 Å²	84.2	6%	0.059	49%	0.486	C	S	.	.			trans	-69.3	114.6	170.3	173.2	3.4	0	0	0	109.4	K59 T60 G61 R62 Y64 F131	D57-K59 PolarHBondContact O-N 2.8Å; D57-K59 VanDerWaalsContact O-N 3.15Å; D57-K59 WeakPolarHBondContact OD1-CB 3.1Å; D57-K59 PolarHBondContact OD1-N 3.21Å; D57-T60 VanDerWaalsContact CG-OG1 3.25Å; D57-T60 PolarHBondContact O-N 3.2Å; D57-T60 WeakPolarHBondContact OD2-CB 3.47Å; D57-T60 VanDerWaalsContact OD2-CG2 3.24Å; D57-T60 WeakPolarHBondContact OD2-CG2 3.47Å; D57-T60 PolarHBondContact OD2-OG1 3.42Å; D57-G61 WeakPolarHBondContact O-CA 3.21Å; D57-G61 PolarHBondContact O-N 3.19Å; D57-R62 PolarHBondContact N-O 3.27Å; D57-Y64 HydrophobicContact CB-CE2 4.36Å; D57-F131 HydrophobicContact CB-CB 4.39Å; D57-F131 HydrophobicContact CB-CD1 3.78Å; D57-F131 HydrophobicContact CB-CD2 4.03Å; D57-F131 HydrophobicContact CB-CE1 3.93Å; D57-F131 HydrophobicContact CB-CE2 4.2Å; D57-F131 HydrophobicContact CB-CG 3.83Å; D57-F131 HydrophobicContact CB-CZ 4.16Å
58	P	94.5	Very high	82.3	Confident	90 Å²	90	86.5 Å²	86.5	58%	0.584	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.2	-176.2	28.9	-35.9	0	0	0	113.6	T56 E132	T56-P58 WeakPolarHBondContact O-CD 3.4Å; P58-E132 WeakPolarHBondContact CG-O 3.47Å
59	K	93.9	Very high	85.3	Confident	171 Å²	171	81.1 Å²	81.1	74%	0.743	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-32	-179.9	-64.4	179.7	-179.1	176.5	0	113.3	D57	D57-K59 PolarHBondContact O-N 2.8Å; D57-K59 VanDerWaalsContact O-N 3.15Å; D57-K59 WeakPolarHBondContact OD1-CB 3.1Å; D57-K59 PolarHBondContact OD1-N 3.21Å
60	T	94.2	Very high	87.9	Confident	82 Å²	82	78.4 Å²	78.4	50%	0.503	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-9.8	-175	67.7	0	0	0	0	114.2	D57 R62	D57-T60 VanDerWaalsContact CG-OG1 3.25Å; D57-T60 PolarHBondContact O-N 3.2Å; D57-T60 WeakPolarHBondContact OD2-CB 3.47Å; D57-T60 VanDerWaalsContact OD2-CG2 3.24Å; D57-T60 WeakPolarHBondContact OD2-CG2 3.47Å; D57-T60 PolarHBondContact OD2-OG1 3.42Å; T60-R62 PolarHBondContact O-N 3.41Å; T60-R62 WeakPolarHBondContact OG1-CG 3.42Å; T60-R62 PolarHBondContact OG1-N 3.31Å
61	G	93.9	Very high	89.9	Confident	55 Å²	55	70.6 Å²	70.6	57%	0.567	40%	0.402	S	S	*	.			trans	69.5	6.3	-175.2	0	0	0	0	0	114.2	D57	D57-G61 WeakPolarHBondContact O-CA 3.21Å; D57-G61 PolarHBondContact O-N 3.19Å
62	R	94.9	Very high	91.4	Very high	122 Å²	122	70.5 Å²	70.5	46%	0.46	40%	0.395	S	S	.	.			trans	-72.6	129.6	178.7	-70.4	-177.4	179.5	-170.6	0.7	110.9	T56 D57 T60 Y64	T56-R62 CarbonylContact C-O 3.55Å; T56-R62 WeakPolarHBondContact CA-O 3.24Å; D57-R62 PolarHBondContact N-O 3.27Å; T60-R62 PolarHBondContact O-N 3.41Å; T60-R62 WeakPolarHBondContact OG1-CG 3.42Å; T60-R62 PolarHBondContact OG1-N 3.31Å; R62-Y64 HydrophobicContact CB-CE2 3.79Å; R62-Y64 VanDerWaalsContact O-CE2 3.3Å; R62-Y64 WeakPolarHBondContact O-CE2 3.35Å
63	S	96.6	Very high	91.8	Very high	37 Å²	37	69.8 Å²	69.8	26%	0.259	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	141	179.3	-64	0	0	0	0	111.8	V55 T56 L84	V55-S63 CarbonylContact O-C 3.53Å; V55-S63 WeakPolarHBondContact O-CA 3.01Å; T56-S63 PolarHBondContact OG1-OG 3.36Å; S63-L84 WeakPolarHBondContact O-CB 3.49Å; S63-L84 WeakPolarHBondContact O-CG 3.39Å; S63-L84 PolarHBondContact O-N 2.87Å
64	Y	97.1	Very high	91	Very high	1 Å²	1	68 Å²	68	0%	0.004	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129	-175.9	-54.8	-92.5	0	0	0	109.4	V54 V55 D57 R62 T82 D83 H129 F131 F140	V54-Y64 WeakPolarHBondContact CA-O 3.43Å; V55-Y64 PolarHBondContact N-O 3.02Å; V55-Y64 PolarHBondContact O-N 2.92Å; D57-Y64 HydrophobicContact CB-CE2 4.36Å; R62-Y64 HydrophobicContact CB-CE2 3.79Å; R62-Y64 VanDerWaalsContact O-CE2 3.3Å; R62-Y64 WeakPolarHBondContact O-CE2 3.35Å; Y64-T82 CarbonylContact C-O 3.35Å; Y64-T82 VanDerWaalsContact CA-O 3.27Å; Y64-T82 WeakPolarHBondContact CA-O 3.32Å; Y64-D83 HydrophobicContact CD1-CB 3.84Å; Y64-D83 HydrophobicContact CE1-CB 3.82Å; Y64-H129 AromaticContact CE1-NE2 3.86Å; Y64-H129 AromaticContact CZ-NE2 3.59Å; Y64-H129 PolarHBondContact OH-NE2 3.02Å; Y64-F131 AromaticContact CD2-CE1 3.93Å; Y64-F131 HydrophobicContact CD2-CE1 3.93Å; Y64-F131 HydrophobicContact CD2-CZ 4.16Å; Y64-F131 HydrophobicContact CE2-CD1 4.42Å; Y64-F131 AromaticContact CE2-CE1 3.56Å; Y64-F131 HydrophobicContact CE2-CE1 3.56Å; Y64-F131 HydrophobicContact CE2-CZ 4.17Å; Y64-F140 HydrophobicContact CD1-CD1 4.44Å; Y64-F140 AromaticContact CD1-CE1 3.41Å; Y64-F140 HydrophobicContact CD1-CE1 3.41Å; Y64-F140 VanDerWaalsContact CD1-CE1 3.41Å; Y64-F140 AromaticContact CD1-CZ 3.81Å; Y64-F140 HydrophobicContact CD1-CZ 3.81Å; Y64-F140 HydrophobicContact CD2-CZ 4.08Å; Y64-F140 HydrophobicContact CE1-CD1 4.25Å; Y64-F140 AromaticContact CE1-CE1 3.52Å; Y64-F140 HydrophobicContact CE1-CE1 3.52Å; Y64-F140 AromaticContact CE1-CZ 3.9Å; Y64-F140 HydrophobicContact CE1-CZ 3.9Å; Y64-F140 HydrophobicContact CE2-CZ 4.2Å; Y64-F140 AromaticContact CG-CE1 3.94Å; Y64-F140 HydrophobicContact CG-CE1 3.94Å; Y64-F140 AromaticContact CG-CZ 3.89Å; Y64-F140 HydrophobicContact CG-CZ 3.89Å
65	S	97	Very high	90	Very high	28 Å²	28	68.9 Å²	68.9	20%	0.196	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.6	172.2	178.1	0	0	0	0	109.9	M81 T82	S65-M81 CarbonylContact O-C 3.58Å; S65-M81 VanDerWaalsContact O-CA 3.29Å; S65-M81 WeakPolarHBondContact O-CA 3.3Å; S65-T82 PolarHBondContact N-O 2.88Å; S65-T82 PolarHBondContact O-N 2.94Å
66	K	95.8	Very high	89.5	Confident	53 Å²	53	68.6 Å²	68.6	23%	0.23	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	122	177.9	-176.2	177.1	167.5	-171.3	0	110.5	Q53 Y79 M81	Q53-K66 HydrophobicContact CB-CB 4.36Å; Q53-K66 HydrophobicContact CB-CD 4.32Å; Q53-K66 WeakPolarHBondContact O-CB 3.44Å; Q53-K66 PolarHBondContact O-N 2.9Å; K66-Y79 HydrophobicContact CD-CD1 4.49Å; K66-Y79 VanDerWaalsContact CE-CE1 3.45Å; K66-Y79 HydrophobicContact CG-CD1 4.18Å; K66-Y79 HydrophobicContact CG-CG 4.32Å; K66-M81 HydrophobicContact CB-CE 4.39Å; K66-M81 HydrophobicContact CD-CE 4.28Å; K66-M81 HydrophobicContact CG-CE 4.08Å
67	G	93.7	Very high	89.3	Confident	38 Å²	38	70.2 Å²	70.2	39%	0.392	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-152.7	175.4	0	0	0	0	0	113	E80	G67-E80 WeakPolarHBondContact CA-O 3.36Å; G67-E80 PolarHBondContact N-O 3Å
68	K	92.9	Very high	89.2	Confident	128 Å²	128	71.5 Å²	71.5	56%	0.557	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.2	151.3	-172.8	66.5	175.3	-178	-79.6	0	113.4	L70 Y79 E80	K68-L70 PolarHBondContact O-N 3.17Å; K68-Y79 WeakPolarHBondContact O-CA 3.43Å; K68-E80 VanDerWaalsContact CE-OE1 3.22Å; K68-E80 WeakPolarHBondContact CE-OE1 3.43Å; K68-E80 WeakPolarHBondContact CE-OE2 3.12Å; K68-E80 HydrophobicContact CG-CG 4.22Å; K68-E80 WeakPolarHBondContact CG-OE2 3.25Å; K68-E80 IonicContact NZ-OE1 3.26Å; K68-E80 PolarHBondContact NZ-OE1 3.25Å; K68-E80 IonicContact NZ-OE2 3.07Å; K68-E80 PolarHBondContact NZ-OE2 2.95Å; K68-E80 PolarHBondContact O-N 2.86Å
69	L	93.1	Very high	89.3	Confident	75 Å²	75	69.1 Å²	69.1	39%	0.393	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	120.9	169	-177.5	73.9	0	0	0	110	G71 K72 R77 C78 Y79	L69-G71 WeakPolarHBondContact CD1-O 3.45Å; L69-K72 HydrophobicContact CD2-CG 4.14Å; L69-R77 HydrophobicContact CD1-CB 4.04Å; L69-C78 WeakPolarHBondContact CD1-O 3.4Å; L69-Y79 HydrophobicContact CB-CD1 4.17Å; L69-Y79 HydrophobicContact CB-CE1 3.99Å; L69-Y79 HydrophobicContact CD1-CD1 4.07Å; L69-Y79 HydrophobicContact CD1-CD2 4.46Å; L69-Y79 HydrophobicContact CD1-CE1 3.63Å; L69-Y79 HydrophobicContact CD1-CE2 4.09Å; L69-Y79 HydrophobicContact CD1-CG 4.46Å; L69-Y79 HydrophobicContact CG-CE1 4.42Å
70	L	88.8	Confident	89.4	Confident	68 Å²	68	62.5 Å²	62.5	36%	0.356	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-32.7	174.6	-67.1	174.1	0	0	0	112.5	K68 C78 E80 A91 L143	K68-L70 PolarHBondContact O-N 3.17Å; L70-C78 WeakPolarHBondContact CA-O 3.46Å; L70-C78 HydrophobicContact CB-CB 4.21Å; L70-C78 WeakPolarHBondContact CB-O 3.44Å; L70-C78 PolarHBondContact N-O 3.5Å; L70-E80 HydrophobicContact CD1-CG 3.86Å; L70-E80 HydrophobicContact CD2-CG 3.64Å; L70-E80 HydrophobicContact CG-CG 3.79Å; L70-A91 HydrophobicContact CD1-CB 3.83Å; L70-L143 HydrophobicContact CD1-CD1 3.93Å
71	G	84.1	Confident	89.5	Confident	29 Å²	29	58.7 Å²	58.7	30%	0.299	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	176.7	171	-179.2	0	0	0	0	0	114.3	L69 C78	L69-G71 WeakPolarHBondContact CD1-O 3.45Å; G71-C78 PolarHBondContact N-O 2.59Å; G71-C78 PolarHBondContact O-N 2.77Å
72	K	82.8	Confident	89.7	Confident	163 Å²	163	57.8 Å²	57.8	71%	0.709	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.5	174.5	-56.4	178.7	-174.7	172	0	107.8	L69 R77	L69-K72 HydrophobicContact CD2-CG 4.14Å; K72-R77 HydrophobicContact CG-CG 4.4Å
73	G	67.5	Low	89.8	Confident	47 Å²	47	52 Å²	52	49%	0.485	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	117.7	-175.8	0	0	0	0	0	112.3	F75 A76	G73-F75 PolarHBondContact O-N 2.86Å; G73-F75 VanDerWaalsContact O-N 3.14Å; G73-A76 PolarHBondContact N-O 3.38Å; G73-A76 PolarHBondContact O-N 3.09Å
74	G	71.3	Confident	89.7	Confident	74 Å²	74	54.4 Å²	54.4	76%	0.763	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	-116.1	-179.4	0	0	0	0	0	112.9	R99	G74-R99 PolarHBondContact O-NH1 3.26Å
75	F	71.1	Confident	89.6	Confident	99 Å²	99	58.4 Å²	58.4	43%	0.434	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-16.4	178.6	-58.7	-71.5	0	0	0	113.9	G73 I95 R99	G73-F75 PolarHBondContact O-N 2.86Å; G73-F75 VanDerWaalsContact O-N 3.14Å; F75-I95 HydrophobicContact CB-CG2 4.32Å; F75-R99 HydrophobicContact CB-CB 4.43Å; F75-R99 HydrophobicContact CD1-CB 4.13Å; F75-R99 VanDerWaalsContact O-CD 3.3Å; F75-R99 WeakPolarHBondContact O-CD 3.38Å; F75-R99 PolarHBondContact O-NH1 3.05Å
76	A	84.7	Confident	89.5	Confident	5 Å²	5	60.9 Å²	60.9	4%	0.041	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	158.2	-164.9	0	0	0	0	0	114.8	G73 K93 V94 I95	G73-A76 PolarHBondContact N-O 3.38Å; G73-A76 PolarHBondContact O-N 3.09Å; A76-K93 HydrophobicContact CB-CD 4.21Å; A76-K93 HydrophobicContact CB-CG 3.47Å; A76-K93 VanDerWaalsContact CB-CG 3.47Å; A76-V94 WeakPolarHBondContact CA-O 3.49Å; A76-I95 HydrophobicContact CB-CG1 3.76Å
77	R	91.7	Very high	89.5	Confident	98 Å²	98	64.4 Å²	64.4	37%	0.37	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.4	162.6	-65.2	-176.5	-178.1	84.5	-7.3	108.5	L69 K72 Y79 V94	L69-R77 HydrophobicContact CD1-CB 4.04Å; K72-R77 HydrophobicContact CG-CG 4.4Å; R77-Y79 HydrophobicContact CB-CD2 4.29Å; R77-Y79 HydrophobicContact CB-CE2 3.52Å; R77-Y79 WeakPolarHBondContact CD-OH 3.34Å; R77-V94 PolarHBondContact N-O 3.41Å; R77-V94 PolarHBondContact O-N 3.19Å
78	C	93.9	Very high	89.6	Confident	38 Å²	38	67.9 Å²	67.9	26%	0.257	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128	179.7	-61.1	0	0	0	0	109.6	L69 L70 G71 V92	L69-C78 WeakPolarHBondContact CD1-O 3.4Å; L70-C78 WeakPolarHBondContact CA-O 3.46Å; L70-C78 HydrophobicContact CB-CB 4.21Å; L70-C78 WeakPolarHBondContact CB-O 3.44Å; L70-C78 PolarHBondContact N-O 3.5Å; G71-C78 PolarHBondContact N-O 2.59Å; G71-C78 PolarHBondContact O-N 2.77Å; C78-V92 CarbonylContact C-O 3.56Å; C78-V92 VanDerWaalsContact CA-O 3.28Å; C78-V92 WeakPolarHBondContact CA-O 3.44Å
79	Y	95.4	Very high	89.8	Confident	40 Å²	40	66.9 Å²	66.9	16%	0.157	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	156.7	178.7	-65.6	-91.7	0	0	0	110.5	K66 K68 L69 R77 V92 V94	K66-Y79 HydrophobicContact CD-CD1 4.49Å; K66-Y79 VanDerWaalsContact CE-CE1 3.45Å; K66-Y79 HydrophobicContact CG-CD1 4.18Å; K66-Y79 HydrophobicContact CG-CG 4.32Å; K68-Y79 WeakPolarHBondContact O-CA 3.43Å; L69-Y79 HydrophobicContact CB-CD1 4.17Å; L69-Y79 HydrophobicContact CB-CE1 3.99Å; L69-Y79 HydrophobicContact CD1-CD1 4.07Å; L69-Y79 HydrophobicContact CD1-CD2 4.46Å; L69-Y79 HydrophobicContact CD1-CE1 3.63Å; L69-Y79 HydrophobicContact CD1-CE2 4.09Å; L69-Y79 HydrophobicContact CD1-CG 4.46Å; L69-Y79 HydrophobicContact CG-CE1 4.42Å; R77-Y79 HydrophobicContact CB-CD2 4.29Å; R77-Y79 HydrophobicContact CB-CE2 3.52Å; R77-Y79 WeakPolarHBondContact CD-OH 3.34Å; Y79-V92 PolarHBondContact N-O 3.05Å; Y79-V92 PolarHBondContact O-N 3.5Å; Y79-V94 HydrophobicContact CD2-CB 4.37Å; Y79-V94 HydrophobicContact CD2-CG2 3.79Å; Y79-V94 HydrophobicContact CE2-CB 4.46Å; Y79-V94 HydrophobicContact CE2-CG2 4.31Å
80	E	95.9	Very high	90	Very high	33 Å²	33	63.9 Å²	63.9	15%	0.154	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	138.2	155.5	-67.2	-179.1	169.9	0	0	108.6	G67 K68 L70 Y90 L143	G67-E80 WeakPolarHBondContact CA-O 3.36Å; G67-E80 PolarHBondContact N-O 3Å; K68-E80 VanDerWaalsContact CE-OE1 3.22Å; K68-E80 WeakPolarHBondContact CE-OE1 3.43Å; K68-E80 WeakPolarHBondContact CE-OE2 3.12Å; K68-E80 HydrophobicContact CG-CG 4.22Å; K68-E80 WeakPolarHBondContact CG-OE2 3.25Å; K68-E80 IonicContact NZ-OE1 3.26Å; K68-E80 PolarHBondContact NZ-OE1 3.25Å; K68-E80 IonicContact NZ-OE2 3.07Å; K68-E80 PolarHBondContact NZ-OE2 2.95Å; K68-E80 PolarHBondContact O-N 2.86Å; L70-E80 HydrophobicContact CD1-CG 3.86Å; L70-E80 HydrophobicContact CD2-CG 3.64Å; L70-E80 HydrophobicContact CG-CG 3.79Å; E80-Y90 WeakPolarHBondContact CA-O 3.43Å; E80-L143 HydrophobicContact CG-CD1 4.05Å; E80-L143 HydrophobicContact CG-CD2 4.26Å
81	M	96.9	Very high	90.4	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	141.8	168	-60.3	-170.4	171.4	0	0	110.5	V55 S65 K66 M89 Y90 V92 V94 Y138 F140	V55-M81 HydrophobicContact CG2-CE 4.43Å; S65-M81 CarbonylContact O-C 3.58Å; S65-M81 VanDerWaalsContact O-CA 3.29Å; S65-M81 WeakPolarHBondContact O-CA 3.3Å; K66-M81 HydrophobicContact CB-CE 4.39Å; K66-M81 HydrophobicContact CD-CE 4.28Å; K66-M81 HydrophobicContact CG-CE 4.08Å; M81-M89 CarbonylContact O-C 3.57Å; M81-M89 WeakPolarHBondContact O-CA 3.3Å; M81-Y90 PolarHBondContact N-O 2.96Å; M81-Y90 PolarHBondContact O-N 3.4Å; M81-V92 HydrophobicContact CB-CB 4.46Å; M81-V92 HydrophobicContact CB-CG2 3.65Å; M81-V92 HydrophobicContact CE-CB 4.3Å; M81-V92 HydrophobicContact CE-CG1 4.21Å; M81-V92 HydrophobicContact CG-CB 3.9Å; M81-V92 HydrophobicContact CG-CG2 3.63Å; M81-V92 HydrophobicContact SD-CB 3.74Å; M81-V92 HydrophobicContact SD-CG1 3.76Å; M81-V92 HydrophobicContact SD-CG2 3.73Å; M81-V94 HydrophobicContact CE-CG2 3.75Å; M81-Y138 HydrophobicContact CE-CD1 4.06Å; M81-Y138 HydrophobicContact CE-CE1 4.17Å; M81-F140 HydrophobicContact CB-CE1 4.36Å; M81-F140 HydrophobicContact SD-CE1 4.38Å; M81-F140 HydrophobicContact SD-CZ 4.09Å
82	T	97.6	Very high	91	Very high	37 Å²	37	60.2 Å²	60.2	23%	0.227	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.8	178.5	-53.7	0	0	0	0	109.5	Y64 S65 L84 M89	Y64-T82 CarbonylContact C-O 3.35Å; Y64-T82 VanDerWaalsContact CA-O 3.27Å; Y64-T82 WeakPolarHBondContact CA-O 3.32Å; S65-T82 PolarHBondContact N-O 2.88Å; S65-T82 PolarHBondContact O-N 2.94Å; T82-L84 PolarHBondContact O-N 2.86Å; T82-M89 HydrophobicContact CG2-CG 4.4Å
83	D	97.1	Very high	91.6	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	115.9	171.8	177.9	-19.2	0	0	0	109.5	Y64 S85 N86 N87 K88 Y90	Y64-D83 HydrophobicContact CD1-CB 3.84Å; Y64-D83 HydrophobicContact CE1-CB 3.82Å; D83-S85 PolarHBondContact O-N 2.96Å; D83-S85 WeakPolarHBondContact OD1-CB 3.24Å; D83-S85 PolarHBondContact OD1-N 2.74Å; D83-S85 PolarHBondContact OD1-OG 3.26Å; D83-N86 PolarHBondContact O-N 3.33Å; D83-N86 PolarHBondContact OD1-ND2 3.42Å; D83-N86 PolarHBondContact OD2-ND2 3.22Å; D83-N87 VanDerWaalsContact O-CA 3.29Å; D83-N87 WeakPolarHBondContact O-CA 3.14Å; D83-N87 PolarHBondContact O-N 2.84Å; D83-K88 PolarHBondContact N-O 3.04Å; D83-Y90 HydrophobicContact CB-CE2 3.87Å
84	L	96.1	Very high	92.9	Very high	86 Å²	86	52 Å²	52	45%	0.45	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.4	-173.6	-65.2	178.2	0	0	0	113.3	V54 S63 T82	V54-L84 HydrophobicContact CG1-CD1 4.27Å; S63-L84 WeakPolarHBondContact O-CB 3.49Å; S63-L84 WeakPolarHBondContact O-CG 3.39Å; S63-L84 PolarHBondContact O-N 2.87Å; T82-L84 PolarHBondContact O-N 2.86Å
85	S	95.2	Very high	94	Very high	86 Å²	86	48.5 Å²	48.5	60%	0.601	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-24.3	178.2	71.3	0	0	0	0	113.6	D83	D83-S85 PolarHBondContact O-N 2.96Å; D83-S85 WeakPolarHBondContact OD1-CB 3.24Å; D83-S85 PolarHBondContact OD1-N 2.74Å; D83-S85 PolarHBondContact OD1-OG 3.26Å
86	N	94.5	Very high	95.1	Very high	80 Å²	80	44.8 Å²	44.8	43%	0.428	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144.4	5.9	-171	57.9	56.2	0	0	0	114.4	D83 K88	D83-N86 PolarHBondContact O-N 3.33Å; D83-N86 PolarHBondContact OD1-ND2 3.42Å; D83-N86 PolarHBondContact OD2-ND2 3.22Å; N86-K88 PolarHBondContact O-N 2.93Å; N86-K88 VanDerWaalsContact O-N 3.09Å; N86-K88 WeakPolarHBondContact OD1-CB 3.46Å; N86-K88 PolarHBondContact OD1-N 3.48Å
87	N	94.4	Very high	95.5	Very high	127 Å²	127	46.6 Å²	46.6	68%	0.679	24%	0.241	S	C	*	.			trans	56	18.4	-178.5	-67.3	-41.6	0	0	0	115.5	D83	D83-N87 VanDerWaalsContact O-CA 3.29Å; D83-N87 WeakPolarHBondContact O-CA 3.14Å; D83-N87 PolarHBondContact O-N 2.84Å
88	K	96.1	Very high	95.5	Very high	110 Å²	110	46.2 Å²	46.2	48%	0.478	25%	0.254	S	S	.	.			trans	-80.3	130.3	178.6	-172.9	171.7	158	-146.5	0	111.1	D83 N86 Y90	D83-K88 PolarHBondContact N-O 3.04Å; N86-K88 PolarHBondContact O-N 2.93Å; N86-K88 VanDerWaalsContact O-N 3.09Å; N86-K88 WeakPolarHBondContact OD1-CB 3.46Å; N86-K88 PolarHBondContact OD1-N 3.48Å; K88-Y90 HydrophobicContact CB-CE2 4.03Å; K88-Y90 HydrophobicContact CD-CE1 4.37Å; K88-Y90 HydrophobicContact CD-CE2 4.31Å; K88-Y90 WeakPolarHBondContact CD-OH 3.29Å; K88-Y90 WeakPolarHBondContact CE-OH 3.46Å; K88-Y90 HydrophobicContact CG-CE2 3.96Å; K88-Y90 PolarHBondContact NZ-OH 2.67Å; K88-Y90 WeakPolarHBondContact O-CD2 3.44Å; K88-Y90 WeakPolarHBondContact O-CE2 3.24Å
89	M	96.8	Very high	95.1	Very high	107 Å²	107	49.4 Å²	49.4	53%	0.527	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	144.9	176.9	-64.5	-176.7	-70.1	0	0	112.2	M81 T82 L143	M81-M89 CarbonylContact O-C 3.57Å; M81-M89 WeakPolarHBondContact O-CA 3.3Å; T82-M89 HydrophobicContact CG2-CG 4.4Å; M89-L143 HydrophobicContact CB-CD2 3.7Å; M89-L143 HydrophobicContact SD-CD2 4.46Å
90	Y	97.7	Very high	94.8	Very high	13 Å²	13	47.7 Å²	47.7	5%	0.051	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	153.9	179.5	-62.5	-89.7	0	0	0	110.8	E80 M81 D83 K88 S128 F140	E80-Y90 WeakPolarHBondContact CA-O 3.43Å; M81-Y90 PolarHBondContact N-O 2.96Å; M81-Y90 PolarHBondContact O-N 3.4Å; D83-Y90 HydrophobicContact CB-CE2 3.87Å; K88-Y90 HydrophobicContact CB-CE2 4.03Å; K88-Y90 HydrophobicContact CD-CE1 4.37Å; K88-Y90 HydrophobicContact CD-CE2 4.31Å; K88-Y90 WeakPolarHBondContact CD-OH 3.29Å; K88-Y90 WeakPolarHBondContact CE-OH 3.46Å; K88-Y90 HydrophobicContact CG-CE2 3.96Å; K88-Y90 PolarHBondContact NZ-OH 2.67Å; K88-Y90 WeakPolarHBondContact O-CD2 3.44Å; K88-Y90 WeakPolarHBondContact O-CE2 3.24Å; Y90-S128 WeakPolarHBondContact CE1-OG 3.37Å; Y90-F140 HydrophobicContact CD1-CB 4.25Å; Y90-F140 HydrophobicContact CD1-CD1 4.3Å; Y90-F140 AromaticContact CD2-CD1 3.97Å; Y90-F140 HydrophobicContact CD2-CD1 3.97Å; Y90-F140 HydrophobicContact CD2-CE1 4.5Å; Y90-F140 HydrophobicContact CG-CB 4.49Å; Y90-F140 AromaticContact CG-CD1 3.78Å; Y90-F140 HydrophobicContact CG-CD1 3.78Å
91	A	96.9	Very high	94.4	Very high	19 Å²	19	50.4 Å²	50.4	16%	0.157	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.1	159.9	0	0	0	0	0	107.9	L70 L141 L143	L70-A91 HydrophobicContact CD1-CB 3.83Å; A91-L141 PolarHBondContact N-O 2.66Å; A91-L141 WeakPolarHBondContact O-CB 2.85Å; A91-L141 PolarHBondContact O-N 2.87Å; A91-L143 HydrophobicContact CB-CD1 4Å
92	V	96.9	Very high	94.1	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.9	-173.7	-172.4	0	0	0	0	110.9	C78 Y79 M81 V94 Y138 I139 F140	C78-V92 CarbonylContact C-O 3.56Å; C78-V92 VanDerWaalsContact CA-O 3.28Å; C78-V92 WeakPolarHBondContact CA-O 3.44Å; Y79-V92 PolarHBondContact N-O 3.05Å; Y79-V92 PolarHBondContact O-N 3.5Å; M81-V92 HydrophobicContact CB-CB 4.46Å; M81-V92 HydrophobicContact CB-CG2 3.65Å; M81-V92 HydrophobicContact CE-CB 4.3Å; M81-V92 HydrophobicContact CE-CG1 4.21Å; M81-V92 HydrophobicContact CG-CB 3.9Å; M81-V92 HydrophobicContact CG-CG2 3.63Å; M81-V92 HydrophobicContact SD-CB 3.74Å; M81-V92 HydrophobicContact SD-CG1 3.76Å; M81-V92 HydrophobicContact SD-CG2 3.73Å; V92-V94 HydrophobicContact CG1-CG2 4.19Å; V92-Y138 HydrophobicContact CG1-CD1 4.28Å; V92-I139 VanDerWaalsContact CA-O 3.31Å; V92-I139 WeakPolarHBondContact CA-O 3.49Å; V92-F140 HydrophobicContact CG1-CD2 3.99Å; V92-F140 HydrophobicContact CG1-CE1 4.4Å; V92-F140 HydrophobicContact CG1-CE2 3.83Å; V92-F140 HydrophobicContact CG1-CG 4.32Å; V92-F140 HydrophobicContact CG1-CZ 4.04Å; V92-F140 HydrophobicContact CG2-CD1 3.39Å; V92-F140 HydrophobicContact CG2-CD2 4.3Å; V92-F140 HydrophobicContact CG2-CE1 3.46Å; V92-F140 VanDerWaalsContact CG2-CE1 3.46Å; V92-F140 HydrophobicContact CG2-CE2 4.34Å; V92-F140 HydrophobicContact CG2-CG 3.83Å; V92-F140 HydrophobicContact CG2-CZ 3.94Å
93	K	95.2	Very high	93.7	Very high	26 Å²	26	59.5 Å²	59.5	11%	0.113	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	110.3	174.8	-173.8	174.4	174.5	177.5	0	107.9	A76 I95 E112 I139 D205	A76-K93 HydrophobicContact CB-CD 4.21Å; A76-K93 HydrophobicContact CB-CG 3.47Å; A76-K93 VanDerWaalsContact CB-CG 3.47Å; K93-I95 HydrophobicContact CG-CD1 4.45Å; K93-I95 HydrophobicContact CG-CG1 4.35Å; K93-E112 IonicContact NZ-OE1 3.62Å; K93-E112 PolarHBondContact NZ-OE1 2.88Å; K93-E112 IonicContact NZ-OE2 3.23Å; K93-E112 PolarHBondContact NZ-OE2 2.87Å; K93-I139 HydrophobicContact CB-CB 4.29Å; K93-I139 PolarHBondContact N-O 3.18Å; K93-I139 PolarHBondContact O-N 2.87Å; K93-D205 IonicContact NZ-OD1 3.26Å
94	V	95.6	Very high	93.2	Very high	12 Å²	12	64.3 Å²	64.3	7%	0.073	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.8	-178.5	-172.3	0	0	0	0	109.4	A76 R77 Y79 M81 V92 N136 I137 Y138	A76-V94 WeakPolarHBondContact CA-O 3.49Å; R77-V94 PolarHBondContact N-O 3.41Å; R77-V94 PolarHBondContact O-N 3.19Å; Y79-V94 HydrophobicContact CD2-CB 4.37Å; Y79-V94 HydrophobicContact CD2-CG2 3.79Å; Y79-V94 HydrophobicContact CE2-CB 4.46Å; Y79-V94 HydrophobicContact CE2-CG2 4.31Å; M81-V94 HydrophobicContact CE-CG2 3.75Å; V92-V94 HydrophobicContact CG1-CG2 4.19Å; V94-N136 HydrophobicContact CG1-CB 3.85Å; V94-I137 WeakPolarHBondContact CA-O 3.4Å; V94-Y138 HydrophobicContact CB-CD1 4.45Å; V94-Y138 HydrophobicContact CG1-CD1 4.06Å; V94-Y138 HydrophobicContact CG1-CE1 3.81Å; V94-Y138 HydrophobicContact CG2-CD1 3.79Å; V94-Y138 HydrophobicContact CG2-CE1 4.09Å
95	I	94.4	Very high	92.7	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	113	-175	-54	168.5	0	0	0	108.7	F75 A76 K93 Q97 V100 I109 N136 I137 I139	F75-I95 HydrophobicContact CB-CG2 4.32Å; A76-I95 HydrophobicContact CB-CG1 3.76Å; K93-I95 HydrophobicContact CG-CD1 4.45Å; K93-I95 HydrophobicContact CG-CG1 4.35Å; I95-Q97 PolarHBondContact O-N 2.96Å; I95-V100 HydrophobicContact CG2-CG1 3.98Å; I95-I109 HydrophobicContact CD1-CD1 3.87Å; I95-I109 HydrophobicContact CD1-CG1 4.21Å; I95-I109 HydrophobicContact CD1-CG2 3.89Å; I95-N136 CarbonylContact O-C 3.5Å; I95-N136 WeakPolarHBondContact O-CA 3.36Å; I95-I137 HydrophobicContact CB-CB 4.33Å; I95-I137 PolarHBondContact N-O 3.34Å; I95-I137 PolarHBondContact O-N 3.31Å; I95-I139 HydrophobicContact CD1-CD1 4.05Å
96	P	94.1	Very high	92.5	Very high	20 Å²	20	62.4 Å²	62.4	13%	0.13	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	133.7	176.4	-24.7	33.9	0	0	0	112.4	S98 R99 E135 N136	P96-S98 PolarHBondContact O-N 3.11Å; P96-S98 VanDerWaalsContact O-N 3.17Å; P96-R99 HydrophobicContact CB-CG 4.36Å; P96-R99 WeakPolarHBondContact O-CB 3.14Å; P96-R99 PolarHBondContact O-N 3.48Å; P96-E135 CarbonylContact C-O 3.52Å; P96-E135 WeakPolarHBondContact CA-O 3.28Å; P96-N136 WeakPolarHBondContact CA-OD1 3.24Å
97	Q	93.1	Very high	92.3	Very high	43 Å²	43	64.1 Å²	64.1	20%	0.201	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-53.7	-35.9	176.5	-68.6	-77.4	12.1	0	0	111.3	I95 R99 V100 S101 E132 D133 E135	I95-Q97 PolarHBondContact O-N 2.96Å; Q97-R99 PolarHBondContact O-N 3.31Å; Q97-R99 VanDerWaalsContact O-N 3.17Å; Q97-V100 CarbonylContact O-C 3.52Å; Q97-V100 VanDerWaalsContact O-CG2 3.27Å; Q97-V100 WeakPolarHBondContact O-CG2 3.46Å; Q97-V100 PolarHBondContact O-N 2.85Å; Q97-S101 PolarHBondContact O-N 3.21Å; Q97-E132 PolarHBondContact NE2-OE2 2.87Å; Q97-D133 PolarHBondContact NE2-O 3.27Å; Q97-E135 PolarHBondContact N-O 3.16Å
98	S	91.1	Very high	92	Very high	91 Å²	91	64.6 Å²	64.6	64%	0.636	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-57.5	-28.9	175.3	58.5	0	0	0	0	114.1	P96 S101	P96-S98 PolarHBondContact O-N 3.11Å; P96-S98 VanDerWaalsContact O-N 3.17Å; S98-S101 PolarHBondContact O-OG 3.33Å
99	R	86.4	Confident	91.7	Very high	104 Å²	104	60.1 Å²	60.1	39%	0.392	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-84.3	-6.5	177.7	-67.9	-173	166.9	-142.7	-11.2	114.3	G74 F75 P96 Q97 Q105	G74-R99 PolarHBondContact O-NH1 3.26Å; F75-R99 HydrophobicContact CB-CB 4.43Å; F75-R99 HydrophobicContact CD1-CB 4.13Å; F75-R99 VanDerWaalsContact O-CD 3.3Å; F75-R99 WeakPolarHBondContact O-CD 3.38Å; F75-R99 PolarHBondContact O-NH1 3.05Å; P96-R99 HydrophobicContact CB-CG 4.36Å; P96-R99 WeakPolarHBondContact O-CB 3.14Å; P96-R99 PolarHBondContact O-N 3.48Å; Q97-R99 PolarHBondContact O-N 3.31Å; Q97-R99 VanDerWaalsContact O-N 3.17Å; R99-Q105 PolarHBondContact O-OE1 3.43Å
100	V	89.1	Confident	91.5	Very high	5 Å²	5	58 Å²	58	3%	0.03	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-123.3	21.8	176.7	-65.6	0	0	0	0	112.2	I95 Q97 K102 Q105 R106 I109 I137	I95-V100 HydrophobicContact CG2-CG1 3.98Å; Q97-V100 CarbonylContact O-C 3.52Å; Q97-V100 VanDerWaalsContact O-CG2 3.27Å; Q97-V100 WeakPolarHBondContact O-CG2 3.46Å; Q97-V100 PolarHBondContact O-N 2.85Å; V100-K102 PolarHBondContact O-N 3.42Å; V100-Q105 HydrophobicContact CB-CB 4.46Å; V100-Q105 HydrophobicContact CG1-CB 4.48Å; V100-R106 HydrophobicContact CB-CB 4.41Å; V100-I109 HydrophobicContact CG1-CG1 3.78Å; V100-I137 HydrophobicContact CG2-CD1 4Å
101	S	87.6	Confident	91.1	Very high	90 Å²	90	61.6 Å²	61.6	63%	0.629	32%	0.318	S	S	*	.			trans	-61.9	-23.3	179.5	47.6	0	0	0	0	114.1	Q97 S98	Q97-S101 PolarHBondContact O-N 3.21Å; S98-S101 PolarHBondContact O-OG 3.33Å
102	K	89.6	Confident	90.9	Very high	118 Å²	118	61.5 Å²	61.5	51%	0.513	31%	0.314	S	S	.	.	S	Bend	trans	-90.7	136.6	175.4	-57.1	-174.3	-179.8	-175.2	0	110.7	V100 H104 Q105 R106	V100-K102 PolarHBondContact O-N 3.42Å; K102-H104 VanDerWaalsContact C-N 3.34Å; K102-H104 PolarHBondContact O-N 3.07Å; K102-Q105 HydrophobicContact CB-CG 4.14Å; K102-Q105 WeakPolarHBondContact O-CA 3.34Å; K102-Q105 WeakPolarHBondContact O-CB 3.49Å; K102-Q105 PolarHBondContact O-N 3.17Å; K102-R106 PolarHBondContact O-N 2.83Å
103	P	90.1	Very high	90.8	Very high	111 Å²	111	61.8 Å²	61.8	72%	0.721	32%	0.316	S	S	*	.	H	α-helix	trans	-50.4	-47	-176.7	-30.9	35.6	0	0	0	114.5	Q105 R106 E107	P103-Q105 PolarHBondContact O-N 3.3Å; P103-R106 PolarHBondContact O-N 3.43Å; P103-R106 VanDerWaalsContact O-N 3.16Å; P103-E107 WeakPolarHBondContact O-CB 3.35Å; P103-E107 PolarHBondContact O-N 2.86Å
104	H	86.3	Confident	90.8	Very high	101 Å²	101	64.5 Å²	64.5	47%	0.468	33%	0.332	S	S	.	.	H	α-helix	trans	-66.1	-15.9	178.9	70.9	-99.6	0	0	0	114.8	K102 K108	K102-H104 VanDerWaalsContact C-N 3.34Å; K102-H104 PolarHBondContact O-N 3.07Å; H104-K108 WeakPolarHBondContact O-CG 3.29Å
105	Q	86.3	Confident	90.7	Very high	40 Å²	40	65.1 Å²	65.1	19%	0.187	34%	0.335	C	S	.	.	H	α-helix	trans	-85.2	-44.2	173	-64.6	174	-36.8	0	0	109.8	R99 V100 K102 P103 K108 I109	R99-Q105 PolarHBondContact O-OE1 3.43Å; V100-Q105 HydrophobicContact CB-CB 4.46Å; V100-Q105 HydrophobicContact CG1-CB 4.48Å; K102-Q105 HydrophobicContact CB-CG 4.14Å; K102-Q105 WeakPolarHBondContact O-CA 3.34Å; K102-Q105 WeakPolarHBondContact O-CB 3.49Å; K102-Q105 PolarHBondContact O-N 3.17Å; P103-Q105 PolarHBondContact O-N 3.3Å; Q105-K108 PolarHBondContact O-N 3.31Å; Q105-I109 PolarHBondContact O-N 3.39Å
106	R	90.5	Very high	90.8	Very high	92 Å²	92	65.2 Å²	65.2	35%	0.347	34%	0.335	S	S	.	.	H	α-helix	trans	-60.5	-46.3	174.5	-167.4	171.2	-179.1	87.6	10.5	111.4	V100 K102 P103 K108 I109 T110 E132	V100-R106 HydrophobicContact CB-CB 4.41Å; K102-R106 PolarHBondContact O-N 2.83Å; P103-R106 PolarHBondContact O-N 3.43Å; P103-R106 VanDerWaalsContact O-N 3.16Å; R106-K108 VanDerWaalsContact C-N 3.29Å; R106-K108 PolarHBondContact O-N 2.96Å; R106-I109 PolarHBondContact O-N 2.76Å; R106-T110 PolarHBondContact O-N 3.29Å; R106-T110 PolarHBondContact O-OG1 3.2Å; R106-E132 IonicContact CZ-OE2 2.66Å; R106-E132 IonicContact NH1-OE2 3.46Å; R106-E132 PolarHBondContact NH1-OE2 3.2Å; R106-E132 IonicContact NH2-OE1 2.67Å; R106-E132 PolarHBondContact NH2-OE1 2.94Å; R106-E132 IonicContact NH2-OE2 3.53Å; R106-E132 PolarHBondContact NH2-OE2 2.64Å
107	E	90.3	Very high	90.9	Very high	117 Å²	117	72 Å²	72	55%	0.547	36%	0.358	S	S	.	.	H	α-helix	trans	-56	-39.8	177	-164	-158.5	150.6	0	0	112.5	P103 I109 T110 N111	P103-E107 WeakPolarHBondContact O-CB 3.35Å; P103-E107 PolarHBondContact O-N 2.86Å; E107-I109 PolarHBondContact O-N 3.23Å; E107-T110 PolarHBondContact O-N 2.96Å; E107-N111 VanDerWaalsContact O-CB 3.29Å; E107-N111 WeakPolarHBondContact O-CB 3.13Å; E107-N111 VanDerWaalsContact O-CG 3.24Å; E107-N111 PolarHBondContact O-N 3.24Å; E107-N111 PolarHBondContact O-ND2 2.91Å; E107-N111 VanDerWaalsContact O-ND2 3.11Å
108	K	87.1	Confident	91	Very high	137 Å²	137	72.8 Å²	72.8	60%	0.596	37%	0.368	S	S	*	.	H	α-helix	trans	-62.7	-40.1	175	-76.3	175.3	-179.2	-176.7	0	112.7	H104 Q105 R106 E112	H104-K108 WeakPolarHBondContact O-CG 3.29Å; Q105-K108 PolarHBondContact O-N 3.31Å; R106-K108 VanDerWaalsContact C-N 3.29Å; R106-K108 PolarHBondContact O-N 2.96Å; K108-E112 WeakPolarHBondContact O-CB 3.41Å; K108-E112 PolarHBondContact O-N 3.1Å
109	I	90.6	Very high	91.3	Very high	15 Å²	15	68.8 Å²	68.8	8%	0.077	34%	0.34	C	S	.	.	H	α-helix	trans	-71.5	-41.3	178	-58.8	-48.7	0	0	0	110.9	I95 V100 Q105 R106 E107 E112 I113 I137 I139	I95-I109 HydrophobicContact CD1-CD1 3.87Å; I95-I109 HydrophobicContact CD1-CG1 4.21Å; I95-I109 HydrophobicContact CD1-CG2 3.89Å; V100-I109 HydrophobicContact CG1-CG1 3.78Å; Q105-I109 PolarHBondContact O-N 3.39Å; R106-I109 PolarHBondContact O-N 2.76Å; E107-I109 PolarHBondContact O-N 3.23Å; I109-E112 PolarHBondContact O-N 2.67Å; I109-I113 HydrophobicContact CG2-CD1 3.89Å; I109-I113 VanDerWaalsContact O-CG1 3.32Å; I109-I113 WeakPolarHBondContact O-CG1 3.34Å; I109-I113 PolarHBondContact O-N 2.63Å; I109-I137 HydrophobicContact CG2-CD1 4.4Å; I109-I139 HydrophobicContact CG2-CD1 4.33Å
110	T	92.1	Very high	91.8	Very high	63 Å²	63	68.3 Å²	68.3	39%	0.387	35%	0.352	S	S	.	.	H	α-helix	trans	-58.4	-48.2	172.7	-55	0	0	0	0	111.1	R106 E107 E112 I113 D114	R106-T110 PolarHBondContact O-N 3.29Å; R106-T110 PolarHBondContact O-OG1 3.2Å; E107-T110 PolarHBondContact O-N 2.96Å; T110-E112 PolarHBondContact O-N 2.63Å; T110-I113 PolarHBondContact O-N 2.83Å; T110-D114 WeakPolarHBondContact CG2-OD2 3.27Å; T110-D114 PolarHBondContact O-N 3.33Å
111	N	90.1	Very high	92.3	Very high	88 Å²	88	71.2 Å²	71.2	47%	0.471	37%	0.366	S	S	.	.	H	α-helix	trans	-61.6	-38.5	176.7	-75.6	-35.8	0	0	0	112.8	E107 L115	E107-N111 VanDerWaalsContact O-CB 3.29Å; E107-N111 WeakPolarHBondContact O-CB 3.13Å; E107-N111 VanDerWaalsContact O-CG 3.24Å; E107-N111 PolarHBondContact O-N 3.24Å; E107-N111 PolarHBondContact O-ND2 2.91Å; E107-N111 VanDerWaalsContact O-ND2 3.11Å; N111-L115 WeakPolarHBondContact O-CB 3.44Å; N111-L115 PolarHBondContact O-N 3.01Å
112	E	92.1	Very high	92.8	Very high	17 Å²	17	71.8 Å²	71.8	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-61.5	-47.5	173.3	-172	-170.3	142.4	0	0	111	K93 K108 I109 T110 H116 F206 G207	K93-E112 IonicContact NZ-OE1 3.62Å; K93-E112 PolarHBondContact NZ-OE1 2.88Å; K93-E112 IonicContact NZ-OE2 3.23Å; K93-E112 PolarHBondContact NZ-OE2 2.87Å; K108-E112 WeakPolarHBondContact O-CB 3.41Å; K108-E112 PolarHBondContact O-N 3.1Å; I109-E112 PolarHBondContact O-N 2.67Å; T110-E112 PolarHBondContact O-N 2.63Å; E112-H116 VanDerWaalsContact O-CB 3.24Å; E112-H116 WeakPolarHBondContact O-CB 3.36Å; E112-H116 PolarHBondContact O-N 2.78Å; E112-F206 HydrophobicContact CG-CB 4.46Å; E112-G207 WeakPolarHBondContact OE2-CA 3.36Å
113	I	94.4	Very high	93.2	Very high	7 Å²	7	67 Å²	67	4%	0.036	34%	0.336	C	S	.	.	H	α-helix	trans	-62	-52.2	179.6	-72	166.1	0	0	0	111	I109 T110 L115 H116 R117 F127 Y130 I137 I139	I109-I113 HydrophobicContact CG2-CD1 3.89Å; I109-I113 VanDerWaalsContact O-CG1 3.32Å; I109-I113 WeakPolarHBondContact O-CG1 3.34Å; I109-I113 PolarHBondContact O-N 2.63Å; T110-I113 PolarHBondContact O-N 2.83Å; I113-L115 PolarHBondContact O-N 2.96Å; I113-H116 PolarHBondContact O-N 2.62Å; I113-R117 WeakPolarHBondContact O-CB 3.31Å; I113-R117 PolarHBondContact O-N 2.76Å; I113-F127 HydrophobicContact CG2-CE2 4.21Å; I113-F127 HydrophobicContact CG2-CZ 3.95Å; I113-Y130 HydrophobicContact CD1-CD2 3.87Å; I113-Y130 HydrophobicContact CD1-CE2 4.18Å; I113-Y130 HydrophobicContact CD1-CG 4.16Å; I113-Y130 HydrophobicContact CG2-CD1 3.72Å; I113-Y130 HydrophobicContact CG2-CE1 3.81Å; I113-Y130 HydrophobicContact CG2-CG 4.18Å; I113-I137 HydrophobicContact CD1-CG2 4.47Å; I113-I139 HydrophobicContact CD1-CD1 3.9Å; I113-I139 HydrophobicContact CD1-CG1 4.05Å; I113-I139 HydrophobicContact CG1-CD1 3.66Å; I113-I139 HydrophobicContact CG1-CG1 4.05Å
114	D	94.8	Very high	93.6	Very high	83 Å²	83	61.8 Å²	61.8	44%	0.444	30%	0.302	S	S	.	.	H	α-helix	trans	-66.9	-39.5	-175.4	-72.4	-27.8	0	0	0	111.9	T110 S118	T110-D114 WeakPolarHBondContact CG2-OD2 3.27Å; T110-D114 PolarHBondContact O-N 3.33Å; D114-S118 PolarHBondContact O-N 3.45Å
115	L	94.6	Very high	94.2	Very high	25 Å²	25	57.2 Å²	57.2	13%	0.131	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-54.5	173.7	-173.7	155.7	0	0	0	110.3	N111 I113 R117 S118 L119 I183 F206 A209	N111-L115 WeakPolarHBondContact O-CB 3.44Å; N111-L115 PolarHBondContact O-N 3.01Å; I113-L115 PolarHBondContact O-N 2.96Å; L115-R117 PolarHBondContact O-N 2.8Å; L115-S118 WeakPolarHBondContact O-CB 3.43Å; L115-S118 PolarHBondContact O-N 2.84Å; L115-S118 PolarHBondContact O-OG 2.86Å; L115-L119 HydrophobicContact CD2-CD1 4.14Å; L115-L119 WeakPolarHBondContact O-CG 3.5Å; L115-I183 HydrophobicContact CD1-CG2 4.25Å; L115-I183 HydrophobicContact CD2-CD1 4.41Å; L115-I183 HydrophobicContact CD2-CG2 4.16Å; L115-I183 HydrophobicContact CG-CD1 4.3Å; L115-F206 HydrophobicContact CD2-CB 4.26Å; L115-F206 HydrophobicContact CD2-CD1 3.83Å; L115-F206 HydrophobicContact CD2-CG 4.24Å; L115-A209 HydrophobicContact CD1-CB 4.12Å; L115-A209 HydrophobicContact CD2-CB 4.2Å
116	H	96.3	Very high	94.7	Very high	3 Å²	3	61.9 Å²	61.9	1%	0.014	30%	0.301	C	S	.	.	H	α-helix	trans	-67.4	-38	-174.5	-166.8	-177.5	0	0	0	112.2	E112 I113 S118 L119 V125 F127 F206	E112-H116 VanDerWaalsContact O-CB 3.24Å; E112-H116 WeakPolarHBondContact O-CB 3.36Å; E112-H116 PolarHBondContact O-N 2.78Å; I113-H116 PolarHBondContact O-N 2.62Å; H116-S118 PolarHBondContact O-N 2.8Å; H116-L119 WeakPolarHBondContact O-CB 3.27Å; H116-L119 PolarHBondContact O-N 3.22Å; H116-V125 PolarHBondContact NE2-O 3.24Å; H116-F127 HydrophobicContact CB-CD2 4.14Å; H116-F206 HydrophobicContact CB-CB 4.42Å; H116-F206 HydrophobicContact CB-CD2 4.21Å; H116-F206 HydrophobicContact CB-CG 4.44Å; H116-F206 AromaticContact CD2-CD2 3.6Å; H116-F206 AromaticContact CD2-CE2 3.66Å; H116-F206 AromaticContact CE1-CD2 3.69Å; H116-F206 AromaticContact CE1-CE2 3.94Å; H116-F206 AromaticContact CG-CD2 3.57Å; H116-F206 AromaticContact ND1-CD2 3.63Å; H116-F206 AromaticContact NE2-CD2 3.69Å; H116-F206 AromaticContact NE2-CE2 3.55Å
117	R	96.1	Very high	95.1	Very high	161 Å²	161	58.4 Å²	58.4	61%	0.608	29%	0.288	S	S	*	.	H	α-helix	trans	-59.6	-28.2	175.1	-177	178.9	177.2	-166.2	-0.5	113.2	I113 L115 L119 F127	I113-R117 WeakPolarHBondContact O-CB 3.31Å; I113-R117 PolarHBondContact O-N 2.76Å; L115-R117 PolarHBondContact O-N 2.8Å; R117-L119 PolarHBondContact O-N 2.91Å; R117-F127 HydrophobicContact CB-CD1 3.81Å; R117-F127 HydrophobicContact CB-CD2 4.38Å; R117-F127 HydrophobicContact CB-CE1 3.86Å; R117-F127 HydrophobicContact CB-CE2 4.4Å; R117-F127 HydrophobicContact CB-CG 4.1Å; R117-F127 HydrophobicContact CB-CZ 4.17Å; R117-F127 HydrophobicContact CG-CD1 3.87Å; R117-F127 HydrophobicContact CG-CE1 3.85Å
118	S	95.8	Very high	95.4	Very high	60 Å²	60	55.1 Å²	55.1	42%	0.42	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.2	176.9	81.1	0	0	0	0	114.2	D114 L115 H116 R181	D114-S118 PolarHBondContact O-N 3.45Å; L115-S118 WeakPolarHBondContact O-CB 3.43Å; L115-S118 PolarHBondContact O-N 2.84Å; L115-S118 PolarHBondContact O-OG 2.86Å; H116-S118 PolarHBondContact O-N 2.8Å; S118-R181 PolarHBondContact O-NH1 2.93Å
119	L	97.3	Very high	95.8	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.042	26%	0.259	C	S	.	.			trans	-94.3	130.5	-173.1	-50.8	-178.4	0	0	0	112	L115 H116 R117 V124 Y177 L178 I183 F206	L115-L119 HydrophobicContact CD2-CD1 4.14Å; L115-L119 WeakPolarHBondContact O-CG 3.5Å; H116-L119 WeakPolarHBondContact O-CB 3.27Å; H116-L119 PolarHBondContact O-N 3.22Å; R117-L119 PolarHBondContact O-N 2.91Å; L119-V124 HydrophobicContact CB-CG1 4.26Å; L119-V124 HydrophobicContact CD1-CG1 4.24Å; L119-Y177 HydrophobicContact CB-CE1 4.25Å; L119-Y177 HydrophobicContact CD2-CE1 4.06Å; L119-L178 HydrophobicContact CD1-CD2 3.72Å; L119-L178 HydrophobicContact CD2-CD2 4.07Å; L119-I183 HydrophobicContact CD2-CD1 3.74Å; L119-F206 HydrophobicContact CD1-CD1 4Å; L119-F206 HydrophobicContact CD1-CD2 4.45Å; L119-F206 HydrophobicContact CD1-CE1 3.49Å; L119-F206 VanDerWaalsContact CD1-CE1 3.49Å; L119-F206 HydrophobicContact CD1-CE2 3.99Å; L119-F206 HydrophobicContact CD1-CG 4.47Å; L119-F206 HydrophobicContact CD1-CZ 3.5Å; L119-F206 VanDerWaalsContact CD1-CZ 3.5Å
120	S	97.4	Very high	96.2	Very high	94 Å²	94	54 Å²	54	66%	0.657	27%	0.272	S	S	*	.			trans	-147.2	105.4	172.8	176.5	0	0	0	0	109.1	Y177	S120-Y177 PolarHBondContact N-OH 3.29Å; S120-Y177 PolarHBondContact O-OH 3.28Å
121	H	98.5	Very high	96.4	Very high	66 Å²	66	51.3 Å²	51.3	31%	0.306	26%	0.255	S	S	.	.			trans	-151.6	162.7	178.8	-169.5	-121.8	0	0	0	108.6	V124 S173 Y177	H121-V124 HydrophobicContact CB-CB 4.29Å; H121-V124 HydrophobicContact CB-CG2 4.09Å; H121-S173 PolarHBondContact CE1-O 3.01Å; H121-S173 PolarHBondContact CE1-OG 2.86Å; H121-Y177 HydrophobicContact CB-CD1 3.67Å; H121-Y177 HydrophobicContact CB-CD2 3.79Å; H121-Y177 HydrophobicContact CB-CE1 3.8Å; H121-Y177 HydrophobicContact CB-CE2 3.9Å; H121-Y177 HydrophobicContact CB-CG 3.67Å; H121-Y177 AromaticContact CD2-CD2 3.57Å; H121-Y177 AromaticContact CD2-CG 3.8Å; H121-Y177 AromaticContact CG-CD1 3.97Å; H121-Y177 AromaticContact CG-CD2 3.66Å; H121-Y177 AromaticContact CG-CG 3.49Å; H121-Y177 VanDerWaalsContact CG-CG 3.49Å; H121-Y177 AromaticContact ND1-CG 3.85Å
122	K	98	Very high	96.7	Very high	102 Å²	102	49.2 Å²	49.2	44%	0.443	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	160.4	159.2	-159	177.7	177	-175.3	0	108.1	V124 E200	K122-V124 PolarHBondContact O-N 2.88Å; K122-E200 WeakPolarHBondContact CE-OE1 3.34Å; K122-E200 WeakPolarHBondContact CE-OE2 3.43Å; K122-E200 IonicContact NZ-OE1 2.64Å; K122-E200 PolarHBondContact NZ-OE1 3.03Å; K122-E200 IonicContact NZ-OE2 3.54Å
123	H	98.6	Very high	96.8	Very high	16 Å²	16	49.8 Å²	49.8	7%	0.074	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	16.9	175.2	-45.9	-56.9	0	0	0	116.4	Q170 L201 L203	H123-Q170 HydrophobicContact CB-CB 4.44Å; H123-Q170 PolarHBondContact CE1-OE1 2.98Å; H123-Q170 PolarHBondContact ND1-OE1 2.95Å; H123-Q170 VanDerWaalsContact ND1-OE1 3.14Å; H123-L201 VanDerWaalsContact CA-O 3.23Å; H123-L201 WeakPolarHBondContact CA-O 3.46Å; H123-L201 PolarHBondContact ND1-O 3.22Å; H123-L203 WeakPolarHBondContact O-CG 3.49Å; H123-L203 PolarHBondContact O-N 2.87Å
124	V	98.5	Very high	96.7	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.012	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-127.8	132.7	163.8	173.5	0	0	0	0	106.4	L119 H121 K122 K126 Y177 L203 F206	L119-V124 HydrophobicContact CB-CG1 4.26Å; L119-V124 HydrophobicContact CD1-CG1 4.24Å; H121-V124 HydrophobicContact CB-CB 4.29Å; H121-V124 HydrophobicContact CB-CG2 4.09Å; K122-V124 PolarHBondContact O-N 2.88Å; V124-K126 PolarHBondContact O-N 3.45Å; V124-Y177 HydrophobicContact CG2-CD1 4.24Å; V124-L203 CarbonylContact C-O 3.46Å; V124-L203 WeakPolarHBondContact CA-O 3.22Å; V124-L203 HydrophobicContact CG2-CB 4.45Å; V124-F206 HydrophobicContact CG1-CE2 4.05Å; V124-F206 HydrophobicContact CG1-CZ 3.8Å
125	V	98.1	Very high	96.6	Very high	6 Å²	6	59 Å²	59	4%	0.036	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-56.6	121	178.9	169.7	0	0	0	0	108.5	H116 F127 L141 E142 F194 R202 L203	H116-V125 PolarHBondContact NE2-O 3.24Å; V125-F127 PolarHBondContact O-N 3.35Å; V125-L141 HydrophobicContact CG1-CB 3.86Å; V125-L141 HydrophobicContact CG1-CD1 4.35Å; V125-L141 HydrophobicContact CG1-CG 4.5Å; V125-E142 HydrophobicContact CG1-CB 4.21Å; V125-F194 HydrophobicContact CG2-CB 4.33Å; V125-F194 HydrophobicContact CG2-CD2 3.79Å; V125-F194 HydrophobicContact CG2-CG 4.35Å; V125-R202 HydrophobicContact CB-CB 4.49Å; V125-R202 HydrophobicContact CG2-CB 3.61Å; V125-L203 WeakPolarHBondContact CG2-O 3.41Å; V125-L203 PolarHBondContact N-O 2.85Å
126	K	97.9	Very high	96.7	Very high	137 Å²	137	58.9 Å²	58.9	60%	0.596	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-69.7	123.5	-179.9	-177.6	172.6	-178.1	172.2	0	111.1	V124 E142	V124-K126 PolarHBondContact O-N 3.45Å; K126-E142 HydrophobicContact CB-CB 4.09Å; K126-E142 PolarHBondContact N-OE2 3.25Å; K126-E142 PolarHBondContact O-N 2.79Å
127	F	98.1	Very high	96.7	Very high	19 Å²	19	59 Å²	59	8%	0.083	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	134	165.7	-172.5	-81.6	0	0	0	109.5	I113 H116 R117 V125 Y130 I139 L141	I113-F127 HydrophobicContact CG2-CE2 4.21Å; I113-F127 HydrophobicContact CG2-CZ 3.95Å; H116-F127 HydrophobicContact CB-CD2 4.14Å; R117-F127 HydrophobicContact CB-CD1 3.81Å; R117-F127 HydrophobicContact CB-CD2 4.38Å; R117-F127 HydrophobicContact CB-CE1 3.86Å; R117-F127 HydrophobicContact CB-CE2 4.4Å; R117-F127 HydrophobicContact CB-CG 4.1Å; R117-F127 HydrophobicContact CB-CZ 4.17Å; R117-F127 HydrophobicContact CG-CD1 3.87Å; R117-F127 HydrophobicContact CG-CE1 3.85Å; V125-F127 PolarHBondContact O-N 3.35Å; F127-Y130 HydrophobicContact CZ-CD1 4.14Å; F127-I139 HydrophobicContact CD2-CG2 4.19Å; F127-I139 HydrophobicContact CE2-CG2 3.55Å; F127-I139 HydrophobicContact CZ-CG2 4.26Å; F127-L141 HydrophobicContact CB-CD2 4.38Å; F127-L141 HydrophobicContact CD2-CD2 3.91Å; F127-L141 HydrophobicContact CG-CD2 4.41Å
128	S	97	Very high	96.7	Very high	49 Å²	49	51.8 Å²	51.8	34%	0.343	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-61.9	176.8	-172.4	0	0	0	0	112.5	Y90 F140	Y90-S128 WeakPolarHBondContact CE1-OG 3.37Å; S128-F140 WeakPolarHBondContact CB-O 3.42Å; S128-F140 PolarHBondContact N-O 3.28Å
129	H	96.4	Very high	96.8	Very high	39 Å²	39	49 Å²	49	18%	0.181	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	174.3	-176.7	61.1	-72	0	0	0	109.3	Y64 F140	Y64-H129 AromaticContact CE1-NE2 3.86Å; Y64-H129 AromaticContact CZ-NE2 3.59Å; Y64-H129 PolarHBondContact OH-NE2 3.02Å; H129-F140 AromaticContact CE1-CD1 3.56Å; H129-F140 AromaticContact CE1-CG 3.46Å; H129-F140 VanDerWaalsContact CE1-CG 3.46Å; H129-F140 WeakPolarHBondContact CE1-CG 2.96Å; H129-F140 AromaticContact ND1-CG 3.96Å; H129-F140 AromaticContact NE2-CD1 3.8Å; H129-F140 AromaticContact NE2-CD2 3.73Å; H129-F140 AromaticContact NE2-CG 3.61Å; H129-F140 WeakPolarHBondContact O-CB 3.16Å; H129-F140 PolarHBondContact O-N 3.07Å
130	Y	97.3	Very high	96.8	Very high	89 Å²	89	48.6 Å²	48.6	35%	0.349	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	157.7	168.6	81.9	-75.9	0	0	0	109.6	I113 F127 Y138	I113-Y130 HydrophobicContact CD1-CD2 3.87Å; I113-Y130 HydrophobicContact CD1-CE2 4.18Å; I113-Y130 HydrophobicContact CD1-CG 4.16Å; I113-Y130 HydrophobicContact CG2-CD1 3.72Å; I113-Y130 HydrophobicContact CG2-CE1 3.81Å; I113-Y130 HydrophobicContact CG2-CG 4.18Å; F127-Y130 HydrophobicContact CZ-CD1 4.14Å; Y130-Y138 CarbonylContact C-O 2.96Å; Y130-Y138 WeakPolarHBondContact CA-O 3.48Å; Y130-Y138 VanDerWaalsContact CB-O 3.25Å; Y130-Y138 WeakPolarHBondContact CB-O 3.43Å
131	F	97.1	Very high	96.8	Very high	7 Å²	7	45.3 Å²	45.3	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	173.4	166.1	67.9	-98.3	0	0	0	110.7	V55 D57 Y64 Y138 F140	V55-F131 HydrophobicContact CG1-CE2 4.1Å; V55-F131 HydrophobicContact CG1-CZ 3.86Å; D57-F131 HydrophobicContact CB-CB 4.39Å; D57-F131 HydrophobicContact CB-CD1 3.78Å; D57-F131 HydrophobicContact CB-CD2 4.03Å; D57-F131 HydrophobicContact CB-CE1 3.93Å; D57-F131 HydrophobicContact CB-CE2 4.2Å; D57-F131 HydrophobicContact CB-CG 3.83Å; D57-F131 HydrophobicContact CB-CZ 4.16Å; Y64-F131 AromaticContact CD2-CE1 3.93Å; Y64-F131 HydrophobicContact CD2-CE1 3.93Å; Y64-F131 HydrophobicContact CD2-CZ 4.16Å; Y64-F131 HydrophobicContact CE2-CD1 4.42Å; Y64-F131 AromaticContact CE2-CE1 3.56Å; Y64-F131 HydrophobicContact CE2-CE1 3.56Å; Y64-F131 HydrophobicContact CE2-CZ 4.17Å; F131-Y138 AromaticContact CD2-CD2 3.73Å; F131-Y138 HydrophobicContact CD2-CD2 3.73Å; F131-Y138 HydrophobicContact CD2-CE2 4.3Å; F131-Y138 HydrophobicContact CD2-CG 4.43Å; F131-Y138 AromaticContact CE2-CD2 3.33Å; F131-Y138 HydrophobicContact CE2-CD2 3.33Å; F131-Y138 AromaticContact CE2-CE2 3.66Å; F131-Y138 HydrophobicContact CE2-CE2 3.66Å; F131-Y138 AromaticContact CE2-CG 3.91Å; F131-Y138 HydrophobicContact CE2-CG 3.91Å; F131-Y138 AromaticContact CZ-CD2 3.87Å; F131-Y138 HydrophobicContact CZ-CD2 3.87Å; F131-Y138 HydrophobicContact CZ-CE2 4.35Å; F131-Y138 AromaticContact CZ-CG 3.96Å; F131-Y138 HydrophobicContact CZ-CG 3.96Å; F131-Y138 PolarHBondContact N-O 2.8Å; F131-Y138 PolarHBondContact O-N 2.89Å; F131-F140 AromaticContact CD1-CE2 3.76Å; F131-F140 HydrophobicContact CD1-CE2 3.76Å; F131-F140 HydrophobicContact CD1-CZ 4.43Å; F131-F140 HydrophobicContact CE1-CD2 4.4Å; F131-F140 AromaticContact CE1-CE2 3.3Å; F131-F140 HydrophobicContact CE1-CE2 3.3Å; F131-F140 AromaticContact CE1-CZ 3.6Å; F131-F140 HydrophobicContact CE1-CZ 3.6Å; F131-F140 HydrophobicContact CZ-CE2 4.16Å; F131-F140 HydrophobicContact CZ-CZ 4.3Å
132	E	95.8	Very high	96.7	Very high	43 Å²	43	44.5 Å²	44.5	20%	0.201	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	138	177.3	-58.1	-173.1	-134.1	0	0	108.9	P58 Q97 R106 N136 I137	P58-E132 WeakPolarHBondContact CG-O 3.47Å; Q97-E132 PolarHBondContact NE2-OE2 2.87Å; R106-E132 IonicContact CZ-OE2 2.66Å; R106-E132 IonicContact NH1-OE2 3.46Å; R106-E132 PolarHBondContact NH1-OE2 3.2Å; R106-E132 IonicContact NH2-OE1 2.67Å; R106-E132 PolarHBondContact NH2-OE1 2.94Å; R106-E132 IonicContact NH2-OE2 3.53Å; R106-E132 PolarHBondContact NH2-OE2 2.64Å; E132-N136 WeakPolarHBondContact CA-O 3.38Å; E132-I137 HydrophobicContact CG-CB 4.27Å; E132-I137 HydrophobicContact CG-CD1 4.49Å; E132-I137 HydrophobicContact CG-CG1 3.89Å; E132-I137 HydrophobicContact CG-CG2 4.07Å
133	D	94.3	Very high	96.6	Very high	30 Å²	30	41.1 Å²	41.1	16%	0.16	20%	0.195	C	C	.	.			trans	-110.4	-169	162.1	70.4	26.3	0	0	0	110.2	Q97 E135 N136 Y138	Q97-D133 PolarHBondContact NE2-O 3.27Å; D133-E135 VanDerWaalsContact C-N 3.28Å; D133-E135 PolarHBondContact O-N 3.02Å; D133-E135 WeakPolarHBondContact OD1-CA 3.48Å; D133-E135 PolarHBondContact OD1-N 2.95Å; D133-N136 PolarHBondContact N-O 3.2Å; D133-N136 PolarHBondContact OD1-N 2.87Å; D133-Y138 HydrophobicContact CB-CE2 4.33Å; D133-Y138 WeakPolarHBondContact OD2-CE2 3.36Å; D133-Y138 VanDerWaalsContact OD2-CZ 3.27Å; D133-Y138 PolarHBondContact OD2-OH 3.28Å
134	H	93.2	Very high	96.5	Very high	169 Å²	169	41 Å²	41	78%	0.782	20%	0.196	S	C	*	.	S	Bend	trans	-71.1	-20	-178.4	60.6	-80.3	0	0	0	113.8
135	E	93.6	Very high	96.3	Very high	114 Å²	114	44.1 Å²	44.1	53%	0.533	22%	0.218	S	C	.	.	S	Bend	trans	-105.4	-35.5	-179.7	-63.5	-163.8	155.9	0	0	113.4	P96 Q97 D133	P96-E135 CarbonylContact C-O 3.52Å; P96-E135 WeakPolarHBondContact CA-O 3.28Å; Q97-E135 PolarHBondContact N-O 3.16Å; D133-E135 VanDerWaalsContact C-N 3.28Å; D133-E135 PolarHBondContact O-N 3.02Å; D133-E135 WeakPolarHBondContact OD1-CA 3.48Å; D133-E135 PolarHBondContact OD1-N 2.95Å
136	N	96	Very high	96.1	Very high	23 Å²	23	47.4 Å²	47.4	12%	0.123	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153.5	-163.3	-59.3	-77.1	0	0	0	114	V94 I95 P96 E132 D133 Y138	V94-N136 HydrophobicContact CG1-CB 3.85Å; I95-N136 CarbonylContact O-C 3.5Å; I95-N136 WeakPolarHBondContact O-CA 3.36Å; P96-N136 WeakPolarHBondContact CA-OD1 3.24Å; E132-N136 WeakPolarHBondContact CA-O 3.38Å; D133-N136 PolarHBondContact N-O 3.2Å; D133-N136 PolarHBondContact OD1-N 2.87Å; N136-Y138 HydrophobicContact CB-CD2 4.31Å; N136-Y138 HydrophobicContact CB-CE1 4.26Å; N136-Y138 HydrophobicContact CB-CE2 3.61Å; N136-Y138 PolarHBondContact ND2-OH 3.17Å; N136-Y138 WeakPolarHBondContact O-CE2 3.24Å
137	I	95.6	Very high	95.9	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	133.1	163.9	-52.5	-175.3	0	0	0	108	V94 I95 V100 I109 I113 E132 I139	V94-I137 WeakPolarHBondContact CA-O 3.4Å; I95-I137 HydrophobicContact CB-CB 4.33Å; I95-I137 PolarHBondContact N-O 3.34Å; I95-I137 PolarHBondContact O-N 3.31Å; V100-I137 HydrophobicContact CG2-CD1 4Å; I109-I137 HydrophobicContact CG2-CD1 4.4Å; I113-I137 HydrophobicContact CD1-CG2 4.47Å; E132-I137 HydrophobicContact CG-CB 4.27Å; E132-I137 HydrophobicContact CG-CD1 4.49Å; E132-I137 HydrophobicContact CG-CG1 3.89Å; E132-I137 HydrophobicContact CG-CG2 4.07Å; I137-I139 HydrophobicContact CG2-CG1 4.39Å
138	Y	96.9	Very high	95.8	Very high	11 Å²	11	46.1 Å²	46.1	4%	0.043	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.8	-178.1	-55.7	-99.5	0	0	0	110.5	V55 M81 V92 V94 Y130 F131 D133 N136	V55-Y138 HydrophobicContact CG1-CD1 4.36Å; V55-Y138 HydrophobicContact CG1-CE1 3.68Å; V55-Y138 HydrophobicContact CG1-CE2 4.12Å; V55-Y138 HydrophobicContact CG2-CE1 4.28Å; M81-Y138 HydrophobicContact CE-CD1 4.06Å; M81-Y138 HydrophobicContact CE-CE1 4.17Å; V92-Y138 HydrophobicContact CG1-CD1 4.28Å; V94-Y138 HydrophobicContact CB-CD1 4.45Å; V94-Y138 HydrophobicContact CG1-CD1 4.06Å; V94-Y138 HydrophobicContact CG1-CE1 3.81Å; V94-Y138 HydrophobicContact CG2-CD1 3.79Å; V94-Y138 HydrophobicContact CG2-CE1 4.09Å; Y130-Y138 CarbonylContact C-O 2.96Å; Y130-Y138 WeakPolarHBondContact CA-O 3.48Å; Y130-Y138 VanDerWaalsContact CB-O 3.25Å; Y130-Y138 WeakPolarHBondContact CB-O 3.43Å; F131-Y138 AromaticContact CD2-CD2 3.73Å; F131-Y138 HydrophobicContact CD2-CD2 3.73Å; F131-Y138 HydrophobicContact CD2-CE2 4.3Å; F131-Y138 HydrophobicContact CD2-CG 4.43Å; F131-Y138 AromaticContact CE2-CD2 3.33Å; F131-Y138 HydrophobicContact CE2-CD2 3.33Å; F131-Y138 AromaticContact CE2-CE2 3.66Å; F131-Y138 HydrophobicContact CE2-CE2 3.66Å; F131-Y138 AromaticContact CE2-CG 3.91Å; F131-Y138 HydrophobicContact CE2-CG 3.91Å; F131-Y138 AromaticContact CZ-CD2 3.87Å; F131-Y138 HydrophobicContact CZ-CD2 3.87Å; F131-Y138 HydrophobicContact CZ-CE2 4.35Å; F131-Y138 AromaticContact CZ-CG 3.96Å; F131-Y138 HydrophobicContact CZ-CG 3.96Å; F131-Y138 PolarHBondContact N-O 2.8Å; F131-Y138 PolarHBondContact O-N 2.89Å; D133-Y138 HydrophobicContact CB-CE2 4.33Å; D133-Y138 WeakPolarHBondContact OD2-CE2 3.36Å; D133-Y138 VanDerWaalsContact OD2-CZ 3.27Å; D133-Y138 PolarHBondContact OD2-OH 3.28Å; N136-Y138 HydrophobicContact CB-CD2 4.31Å; N136-Y138 HydrophobicContact CB-CE1 4.26Å; N136-Y138 HydrophobicContact CB-CE2 3.61Å; N136-Y138 PolarHBondContact ND2-OH 3.17Å; N136-Y138 WeakPolarHBondContact O-CE2 3.24Å
139	I	96.6	Very high	95.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	116	178.9	-51.2	170.8	0	0	0	109.1	V92 K93 I95 I109 I113 F127 I137 L141	V92-I139 VanDerWaalsContact CA-O 3.31Å; V92-I139 WeakPolarHBondContact CA-O 3.49Å; K93-I139 HydrophobicContact CB-CB 4.29Å; K93-I139 PolarHBondContact N-O 3.18Å; K93-I139 PolarHBondContact O-N 2.87Å; I95-I139 HydrophobicContact CD1-CD1 4.05Å; I109-I139 HydrophobicContact CG2-CD1 4.33Å; I113-I139 HydrophobicContact CD1-CD1 3.9Å; I113-I139 HydrophobicContact CD1-CG1 4.05Å; I113-I139 HydrophobicContact CG1-CD1 3.66Å; I113-I139 HydrophobicContact CG1-CG1 4.05Å; F127-I139 HydrophobicContact CD2-CG2 4.19Å; F127-I139 HydrophobicContact CE2-CG2 3.55Å; F127-I139 HydrophobicContact CZ-CG2 4.26Å; I137-I139 HydrophobicContact CG2-CG1 4.39Å; I139-L141 HydrophobicContact CG2-CD2 4.12Å; I139-L141 HydrophobicContact CG2-CG 4.45Å
140	F	97.4	Very high	95.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.9	-174.2	-73.4	-110.7	0	0	0	111.8	Y64 M81 Y90 V92 S128 H129 F131	Y64-F140 HydrophobicContact CD1-CD1 4.44Å; Y64-F140 AromaticContact CD1-CE1 3.41Å; Y64-F140 HydrophobicContact CD1-CE1 3.41Å; Y64-F140 VanDerWaalsContact CD1-CE1 3.41Å; Y64-F140 AromaticContact CD1-CZ 3.81Å; Y64-F140 HydrophobicContact CD1-CZ 3.81Å; Y64-F140 HydrophobicContact CD2-CZ 4.08Å; Y64-F140 HydrophobicContact CE1-CD1 4.25Å; Y64-F140 AromaticContact CE1-CE1 3.52Å; Y64-F140 HydrophobicContact CE1-CE1 3.52Å; Y64-F140 AromaticContact CE1-CZ 3.9Å; Y64-F140 HydrophobicContact CE1-CZ 3.9Å; Y64-F140 HydrophobicContact CE2-CZ 4.2Å; Y64-F140 AromaticContact CG-CE1 3.94Å; Y64-F140 HydrophobicContact CG-CE1 3.94Å; Y64-F140 AromaticContact CG-CZ 3.89Å; Y64-F140 HydrophobicContact CG-CZ 3.89Å; M81-F140 HydrophobicContact CB-CE1 4.36Å; M81-F140 HydrophobicContact SD-CE1 4.38Å; M81-F140 HydrophobicContact SD-CZ 4.09Å; Y90-F140 HydrophobicContact CD1-CB 4.25Å; Y90-F140 HydrophobicContact CD1-CD1 4.3Å; Y90-F140 AromaticContact CD2-CD1 3.97Å; Y90-F140 HydrophobicContact CD2-CD1 3.97Å; Y90-F140 HydrophobicContact CD2-CE1 4.5Å; Y90-F140 HydrophobicContact CG-CB 4.49Å; Y90-F140 AromaticContact CG-CD1 3.78Å; Y90-F140 HydrophobicContact CG-CD1 3.78Å; V92-F140 HydrophobicContact CG1-CD2 3.99Å; V92-F140 HydrophobicContact CG1-CE1 4.4Å; V92-F140 HydrophobicContact CG1-CE2 3.83Å; V92-F140 HydrophobicContact CG1-CG 4.32Å; V92-F140 HydrophobicContact CG1-CZ 4.04Å; V92-F140 HydrophobicContact CG2-CD1 3.39Å; V92-F140 HydrophobicContact CG2-CD2 4.3Å; V92-F140 HydrophobicContact CG2-CE1 3.46Å; V92-F140 VanDerWaalsContact CG2-CE1 3.46Å; V92-F140 HydrophobicContact CG2-CE2 4.34Å; V92-F140 HydrophobicContact CG2-CG 3.83Å; V92-F140 HydrophobicContact CG2-CZ 3.94Å; S128-F140 WeakPolarHBondContact CB-O 3.42Å; S128-F140 PolarHBondContact N-O 3.28Å; H129-F140 AromaticContact CE1-CD1 3.56Å; H129-F140 AromaticContact CE1-CG 3.46Å; H129-F140 VanDerWaalsContact CE1-CG 3.46Å; H129-F140 WeakPolarHBondContact CE1-CG 2.96Å; H129-F140 AromaticContact ND1-CG 3.96Å; H129-F140 AromaticContact NE2-CD1 3.8Å; H129-F140 AromaticContact NE2-CD2 3.73Å; H129-F140 AromaticContact NE2-CG 3.61Å; H129-F140 WeakPolarHBondContact O-CB 3.16Å; H129-F140 PolarHBondContact O-N 3.07Å; F131-F140 AromaticContact CD1-CE2 3.76Å; F131-F140 HydrophobicContact CD1-CE2 3.76Å; F131-F140 HydrophobicContact CD1-CZ 4.43Å; F131-F140 HydrophobicContact CE1-CD2 4.4Å; F131-F140 AromaticContact CE1-CE2 3.3Å; F131-F140 HydrophobicContact CE1-CE2 3.3Å; F131-F140 AromaticContact CE1-CZ 3.6Å; F131-F140 HydrophobicContact CE1-CZ 3.6Å; F131-F140 HydrophobicContact CZ-CE2 4.16Å; F131-F140 HydrophobicContact CZ-CZ 4.3Å
141	L	97.4	Very high	95.6	Very high	24 Å²	24	42.8 Å²	42.8	13%	0.126	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	161.5	-175.3	-55.9	179.5	0	0	0	111.9	A91 V125 F127 I139 L143	A91-L141 PolarHBondContact N-O 2.66Å; A91-L141 WeakPolarHBondContact O-CB 2.85Å; A91-L141 PolarHBondContact O-N 2.87Å; V125-L141 HydrophobicContact CG1-CB 3.86Å; V125-L141 HydrophobicContact CG1-CD1 4.35Å; V125-L141 HydrophobicContact CG1-CG 4.5Å; F127-L141 HydrophobicContact CB-CD2 4.38Å; F127-L141 HydrophobicContact CD2-CD2 3.91Å; F127-L141 HydrophobicContact CG-CD2 4.41Å; I139-L141 HydrophobicContact CG2-CD2 4.12Å; I139-L141 HydrophobicContact CG2-CG 4.45Å; L141-L143 PolarHBondContact O-N 3.14Å
142	E	96.8	Very high	95.4	Very high	50 Å²	50	42.6 Å²	42.6	23%	0.234	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	120.5	170	-179.4	-179.3	-168.8	0	0	111.7	V125 K126 C144 R202	V125-E142 HydrophobicContact CG1-CB 4.21Å; K126-E142 HydrophobicContact CB-CB 4.09Å; K126-E142 PolarHBondContact N-OE2 3.25Å; K126-E142 PolarHBondContact O-N 2.79Å; E142-C144 PolarHBondContact O-N 2.82Å; E142-R202 VanDerWaalsContact CD-NE 3.34Å; E142-R202 IonicContact OE1-CZ 2.66Å; E142-R202 VanDerWaalsContact OE1-CZ 3.26Å; E142-R202 IonicContact OE1-NE 2.84Å; E142-R202 PolarHBondContact OE1-NE 2.79Å; E142-R202 IonicContact OE1-NH2 3.7Å; E142-R202 PolarHBondContact OE1-NH2 2.8Å; E142-R202 IonicContact OE2-NE 2.74Å; E142-R202 PolarHBondContact OE2-NE 2.93Å; E142-R202 VanDerWaalsContact OE2-NE 3.07Å
143	L	96.7	Very high	95.3	Very high	31 Å²	31	43.2 Å²	43.2	16%	0.162	21%	0.211	C	C	.	.			trans	-74.3	113.2	175.9	-178.5	60.1	0	0	0	110.9	L70 E80 M89 A91 L141 S145	L70-L143 HydrophobicContact CD1-CD1 3.93Å; E80-L143 HydrophobicContact CG-CD1 4.05Å; E80-L143 HydrophobicContact CG-CD2 4.26Å; M89-L143 HydrophobicContact CB-CD2 3.7Å; M89-L143 HydrophobicContact SD-CD2 4.46Å; A91-L143 HydrophobicContact CB-CD1 4Å; L141-L143 PolarHBondContact O-N 3.14Å; L143-S145 PolarHBondContact O-N 2.9Å
144	C	96.7	Very high	94.9	Very high	13 Å²	13	47.6 Å²	47.6	9%	0.088	23%	0.229	C	C	.	.			trans	-92.8	92.6	173.1	-69.2	0	0	0	0	110.1	E142 R146 K147 F194 I195	E142-C144 PolarHBondContact O-N 2.82Å; C144-R146 PolarHBondContact O-N 3.06Å; C144-R146 VanDerWaalsContact O-N 3.14Å; C144-K147 PolarHBondContact O-N 3.21Å; C144-F194 HydrophobicContact CB-CB 3.58Å; C144-F194 VanDerWaalsContact SG-CB 3.6Å; C144-I195 CarbonylContact C-O 3.5Å; C144-I195 WeakPolarHBondContact CB-O 3.3Å
145	S	93.9	Very high	94.4	Very high	68 Å²	68	45 Å²	45	48%	0.476	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.5	-170.1	56.9	0	0	0	0	115.4	L143 K147 E197	L143-S145 PolarHBondContact O-N 2.9Å; S145-K147 VanDerWaalsContact C-N 3.3Å; S145-E197 PolarHBondContact OG-N 2.94Å
146	R	93.3	Very high	94.1	Very high	75 Å²	75	40.6 Å²	40.6	28%	0.283	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	22.8	175.3	-54.7	-171	-175.5	-70.7	-7.8	113.1	C144 S148 I195 N196 E197 M199	C144-R146 PolarHBondContact O-N 3.06Å; C144-R146 VanDerWaalsContact O-N 3.14Å; R146-S148 PolarHBondContact O-N 3.26Å; R146-I195 WeakPolarHBondContact CA-O 3.36Å; R146-I195 HydrophobicContact CB-CB 3.94Å; R146-I195 HydrophobicContact CB-CG2 3.91Å; R146-I195 WeakPolarHBondContact CB-O 3.27Å; R146-I195 PolarHBondContact N-O 3.3Å; R146-N196 VanDerWaalsContact CD-O 3.22Å; R146-N196 WeakPolarHBondContact CD-O 3.5Å; R146-N196 WeakPolarHBondContact CG-O 3.28Å; R146-N196 PolarHBondContact NE-O 2.87Å; R146-E197 VanDerWaalsContact CZ-O 3.26Å; R146-E197 PolarHBondContact NE-O 2.83Å; R146-E197 PolarHBondContact NH2-O 3.11Å; R146-M199 WeakPolarHBondContact CD-SD 3.47Å
147	K	94.1	Very high	93.6	Very high	125 Å²	125	45.2 Å²	45.2	54%	0.543	21%	0.211	S	C	.	.			trans	61.3	-125.7	176.4	-49.7	178.7	-174.4	173.1	0	111.1	C144 S145 H151 F194 I195	C144-K147 PolarHBondContact O-N 3.21Å; S145-K147 VanDerWaalsContact C-N 3.3Å; K147-H151 HydrophobicContact CB-CB 4.11Å; K147-H151 HydrophobicContact CD-CB 4.29Å; K147-H151 VanDerWaalsContact CD-CD2 3.48Å; K147-H151 WeakPolarHBondContact CD-CD2 3.38Å; K147-F194 CarbonylContact O-C 3.57Å; K147-F194 VanDerWaalsContact O-CA 3.31Å; K147-F194 WeakPolarHBondContact O-CA 3.45Å; K147-I195 PolarHBondContact O-N 3.33Å
148	S	96.4	Very high	93.4	Very high	4 Å²	4	48.1 Å²	48.1	3%	0.028	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-136.8	165.2	-179.3	63.3	0	0	0	0	112.7	R146 A150 H151 I152 G191 F193	R146-S148 PolarHBondContact O-N 3.26Å; S148-A150 PolarHBondContact O-N 3.09Å; S148-A150 VanDerWaalsContact O-N 3.15Å; S148-H151 PolarHBondContact N-ND1 3.42Å; S148-H151 WeakPolarHBondContact O-CA 3.47Å; S148-H151 VanDerWaalsContact O-CB 3.28Å; S148-H151 WeakPolarHBondContact O-CB 3.39Å; S148-H151 PolarHBondContact O-N 3.34Å; S148-H151 PolarHBondContact OG-ND1 2.84Å; S148-I152 PolarHBondContact O-N 3.26Å; S148-G191 VanDerWaalsContact CB-O 3.3Å; S148-G191 WeakPolarHBondContact CB-O 3.43Å; S148-G191 PolarHBondContact OG-O 3.3Å; S148-F193 CarbonylContact C-O 3.56Å; S148-F193 WeakPolarHBondContact CA-O 3.47Å; S148-F193 VanDerWaalsContact CB-O 3.29Å; S148-F193 WeakPolarHBondContact CB-O 3.43Å
149	L	97.2	Very high	93.3	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-24.6	-178.2	-162.1	61.7	0	0	0	112.5	H151 I152 W153 L159 Y167 L190 F193 L201 L255	L149-H151 VanDerWaalsContact C-N 3.31Å; L149-H151 PolarHBondContact O-N 3.21Å; L149-I152 HydrophobicContact CD1-CB 4.33Å; L149-I152 HydrophobicContact CD1-CD1 4.22Å; L149-I152 PolarHBondContact O-N 2.85Å; L149-W153 VanDerWaalsContact O-CB 3.31Å; L149-W153 WeakPolarHBondContact O-CB 3.45Å; L149-W153 PolarHBondContact O-N 3.46Å; L149-L159 HydrophobicContact CD1-CD1 4.18Å; L149-Y167 HydrophobicContact CD1-CD1 4.33Å; L149-Y167 HydrophobicContact CD1-CD2 3.85Å; L149-Y167 HydrophobicContact CD1-CE1 4.26Å; L149-Y167 HydrophobicContact CD1-CE2 3.77Å; L149-Y167 HydrophobicContact CD1-CG 4.13Å; L149-Y167 HydrophobicContact CD2-CG 4.44Å; L149-L190 HydrophobicContact CD2-CD2 4.05Å; L149-L190 HydrophobicContact CG-CD2 4.31Å; L149-L190 PolarHBondContact N-O 2.93Å; L149-F193 HydrophobicContact CB-CB 3.9Å; L149-F193 HydrophobicContact CB-CD2 4.45Å; L149-F193 HydrophobicContact CD2-CB 4.46Å; L149-F193 HydrophobicContact CD2-CD2 4.01Å; L149-F193 PolarHBondContact N-O 3Å; L149-L201 HydrophobicContact CD2-CD1 4.47Å; L149-L255 HydrophobicContact CD2-CD1 3.82Å; L149-L255 HydrophobicContact CD2-CD2 3.92Å; L149-L255 HydrophobicContact CD2-CG 4.46Å; L149-L255 HydrophobicContact CG-CD2 3.99Å
150	A	95.9	Very high	93.3	Very high	28 Å²	28	50.2 Å²	50.2	23%	0.231	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-33.1	169.4	0	0	0	0	0	113.2	S148 K154 L190	S148-A150 PolarHBondContact O-N 3.09Å; S148-A150 VanDerWaalsContact O-N 3.15Å; A150-K154 VanDerWaalsContact O-CB 3.3Å; A150-K154 WeakPolarHBondContact O-CB 3.47Å; A150-K154 PolarHBondContact O-N 3.12Å; A150-L190 HydrophobicContact CB-CB 3.77Å; A150-L190 PolarHBondContact N-O 3Å
151	H	94.1	Very high	93.2	Very high	78 Å²	78	52.8 Å²	52.8	36%	0.361	26%	0.255	S	S	.	.	H	α-helix	trans	-70.9	-45.8	174.7	-64.7	82.9	0	0	0	110.2	K147 S148 L149 W153 K154 E155	K147-H151 HydrophobicContact CB-CB 4.11Å; K147-H151 HydrophobicContact CD-CB 4.29Å; K147-H151 VanDerWaalsContact CD-CD2 3.48Å; K147-H151 WeakPolarHBondContact CD-CD2 3.38Å; S148-H151 PolarHBondContact N-ND1 3.42Å; S148-H151 WeakPolarHBondContact O-CA 3.47Å; S148-H151 VanDerWaalsContact O-CB 3.28Å; S148-H151 WeakPolarHBondContact O-CB 3.39Å; S148-H151 PolarHBondContact O-N 3.34Å; S148-H151 PolarHBondContact OG-ND1 2.84Å; L149-H151 VanDerWaalsContact C-N 3.31Å; L149-H151 PolarHBondContact O-N 3.21Å; H151-W153 PolarHBondContact O-N 3.36Å; H151-K154 WeakPolarHBondContact O-CB 3.48Å; H151-K154 PolarHBondContact O-N 3.05Å; H151-K154 VanDerWaalsContact O-N 3.17Å; H151-E155 PolarHBondContact O-N 3.39Å
152	I	92.4	Very high	93.2	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.015	26%	0.257	C	S	.	.	H	α-helix	trans	-58.2	-48.7	175	-59.6	-175.5	0	0	0	110.3	S148 L149 K154 E155 R156 L159 I195 C330	S148-I152 PolarHBondContact O-N 3.26Å; L149-I152 HydrophobicContact CD1-CB 4.33Å; L149-I152 HydrophobicContact CD1-CD1 4.22Å; L149-I152 PolarHBondContact O-N 2.85Å; I152-K154 VanDerWaalsContact C-N 3.32Å; I152-K154 PolarHBondContact O-N 3.48Å; I152-E155 PolarHBondContact O-N 3.13Å; I152-R156 HydrophobicContact CG2-CG 4Å; I152-R156 WeakPolarHBondContact O-CB 3.49Å; I152-R156 WeakPolarHBondContact O-CG 3.47Å; I152-R156 PolarHBondContact O-N 3.12Å; I152-L159 HydrophobicContact CG2-CD2 4.04Å; I152-I195 HydrophobicContact CD1-CG1 3.97Å; I152-C330 HydrophobicContact CD1-CB 4.46Å; I152-C330 HydrophobicContact CG1-CB 4.25Å
153	W	92.9	Very high	93.3	Very high	57 Å²	57	50.5 Å²	50.5	22%	0.216	25%	0.245	C	C	.	.	H	α-helix	trans	-60.8	-36.4	176.2	169.4	84.4	0	0	0	113.1	L149 H151 E155 R157 L190 T254 G258	L149-W153 VanDerWaalsContact O-CB 3.31Å; L149-W153 WeakPolarHBondContact O-CB 3.45Å; L149-W153 PolarHBondContact O-N 3.46Å; H151-W153 PolarHBondContact O-N 3.36Å; W153-E155 PolarHBondContact O-N 3.33Å; W153-R157 PolarHBondContact NE1-O 2.88Å; W153-R157 WeakPolarHBondContact O-CA 3.4Å; W153-R157 PolarHBondContact O-N 3.01Å; W153-L190 HydrophobicContact CB-CD1 3.83Å; W153-L190 HydrophobicContact CD2-CD1 3.95Å; W153-L190 HydrophobicContact CE3-CD1 4.47Å; W153-L190 HydrophobicContact CG-CD1 3.63Å; W153-T254 HydrophobicContact CZ2-CG2 4.4Å; W153-G258 WeakPolarHBondContact CZ2-O 3.46Å; W153-G258 PolarHBondContact NE1-O 2.9Å; W153-G258 VanDerWaalsContact NE1-O 3.09Å
154	K	86.8	Confident	93.3	Very high	122 Å²	122	49 Å²	49	53%	0.53	24%	0.238	S	C	.	.	H	α-helix	trans	-62.8	-41.4	177.4	-177.3	-175.3	173.9	-169.2	0	112.3	A150 H151 I152 R157	A150-K154 VanDerWaalsContact O-CB 3.3Å; A150-K154 WeakPolarHBondContact O-CB 3.47Å; A150-K154 PolarHBondContact O-N 3.12Å; H151-K154 WeakPolarHBondContact O-CB 3.48Å; H151-K154 PolarHBondContact O-N 3.05Å; H151-K154 VanDerWaalsContact O-N 3.17Å; I152-K154 VanDerWaalsContact C-N 3.32Å; I152-K154 PolarHBondContact O-N 3.48Å; K154-R157 PolarHBondContact O-NE 3.11Å; K154-R157 PolarHBondContact O-NH2 3.31Å
155	E	82	Confident	93.4	Very high	115 Å²	115	48.8 Å²	48.8	54%	0.537	24%	0.235	S	C	.	.	H	α-helix	trans	-76.9	-44.4	177.6	-53.5	-48.6	137.9	0	0	111.4	H151 I152 W153 V331	H151-E155 PolarHBondContact O-N 3.39Å; I152-E155 PolarHBondContact O-N 3.13Å; W153-E155 PolarHBondContact O-N 3.33Å; E155-V331 HydrophobicContact CG-CG1 4.49Å
156	R	87.3	Confident	93.6	Very high	21 Å²	21	46.4 Å²	46.4	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-85.7	-25.6	-171.5	-70.2	-73.1	-55.6	-73.5	-13.2	115.6	I152 T158 L159 E163 S329 V331 M332	I152-R156 HydrophobicContact CG2-CG 4Å; I152-R156 WeakPolarHBondContact O-CB 3.49Å; I152-R156 WeakPolarHBondContact O-CG 3.47Å; I152-R156 PolarHBondContact O-N 3.12Å; R156-T158 PolarHBondContact NH2-O 3.38Å; R156-T158 PolarHBondContact O-N 2.91Å; R156-L159 HydrophobicContact CB-CD2 4.04Å; R156-L159 HydrophobicContact CG-CD2 4.18Å; R156-E163 IonicContact CZ-OE1 3.67Å; R156-E163 IonicContact CZ-OE2 3.35Å; R156-E163 IonicContact NH1-OE1 3.82Å; R156-E163 PolarHBondContact NH1-OE1 3.15Å; R156-E163 IonicContact NH1-OE2 3.17Å; R156-E163 IonicContact NH2-OE1 2.7Å; R156-E163 PolarHBondContact NH2-OE1 3.1Å; R156-E163 IonicContact NH2-OE2 2.79Å; R156-E163 PolarHBondContact NH2-OE2 3.27Å; R156-S329 PolarHBondContact NH1-O 2.92Å; R156-V331 WeakPolarHBondContact CD-O 3.14Å; R156-M332 PolarHBondContact NH1-O 3.35Å
157	R	86.1	Confident	93.9	Very high	120 Å²	120	42.8 Å²	42.8	45%	0.453	20%	0.202	S	C	.	.	S	Bend	trans	60.1	-52.5	-166.6	-55.2	-63.1	165.4	163.5	-1.6	115.2	W153 K154 G258	W153-R157 PolarHBondContact NE1-O 2.88Å; W153-R157 WeakPolarHBondContact O-CA 3.4Å; W153-R157 PolarHBondContact O-N 3.01Å; K154-R157 PolarHBondContact O-NE 3.11Å; K154-R157 PolarHBondContact O-NH2 3.31Å; R157-G258 VanDerWaalsContact O-CA 3.32Å; R157-G258 WeakPolarHBondContact O-CA 3.48Å
158	T	91.8	Very high	94.1	Very high	65 Å²	65	37 Å²	37	40%	0.399	18%	0.177	S	C	.	.	S	Bend	trans	-128.5	151.8	175.5	57.8	0	0	0	0	111.1	R156 L255 M256	R156-T158 PolarHBondContact NH2-O 3.38Å; R156-T158 PolarHBondContact O-N 2.91Å; T158-L255 CarbonylContact C-O 3.58Å; T158-L255 WeakPolarHBondContact CA-O 3.4Å; T158-M256 WeakPolarHBondContact CG2-O 3.35Å
159	L	94.4	Very high	94.2	Very high	9 Å²	9	42.9 Å²	42.9	5%	0.047	20%	0.199	C	C	.	.			trans	-111.3	145.6	173.7	-63.4	-170.5	0	0	0	109.9	L149 I152 R156 E163 V164 Y167 L255	L149-L159 HydrophobicContact CD1-CD1 4.18Å; I152-L159 HydrophobicContact CG2-CD2 4.04Å; R156-L159 HydrophobicContact CB-CD2 4.04Å; R156-L159 HydrophobicContact CG-CD2 4.18Å; L159-E163 HydrophobicContact CB-CB 4.1Å; L159-E163 HydrophobicContact CD1-CB 4.45Å; L159-V164 HydrophobicContact CB-CG2 3.75Å; L159-Y167 HydrophobicContact CD1-CD2 3.85Å; L159-Y167 HydrophobicContact CD1-CE2 3.8Å; L159-L255 HydrophobicContact CD1-CD2 3.87Å; L159-L255 HydrophobicContact CG-CD2 4.35Å; L159-L255 PolarHBondContact N-O 3.37Å
160	T	95.4	Very high	94.3	Very high	47 Å²	47	43.5 Å²	43.5	29%	0.288	20%	0.202	S	C	.	.			trans	-67.9	151.8	176.1	61.8	0	0	0	0	110.6	P162 E163 V164 V333	T160-P162 VanDerWaalsContact C-CD 3.4Å; T160-P162 VanDerWaalsContact C-N 3.31Å; T160-E163 WeakPolarHBondContact CB-OE2 3.41Å; T160-E163 PolarHBondContact N-OE2 2.89Å; T160-E163 WeakPolarHBondContact O-CA 3.42Å; T160-E163 WeakPolarHBondContact O-CB 3.12Å; T160-E163 PolarHBondContact O-N 3.25Å; T160-E163 VanDerWaalsContact OG1-CG 3.29Å; T160-E163 WeakPolarHBondContact OG1-CG 3.29Å; T160-E163 PolarHBondContact OG1-OE2 2.75Å; T160-V164 WeakPolarHBondContact O-CG2 3.28Å; T160-V164 PolarHBondContact O-N 3.4Å; T160-V333 HydrophobicContact CG2-CG1 3.69Å
161	E	96.4	Very high	94.4	Very high	53 Å²	53	42.2 Å²	42.2	25%	0.248	19%	0.191	C	C	.	.	H	α-helix	trans	-53.1	-38.2	179.9	-61.1	-165.1	170.3	0	0	114.6	E163 V164 R165 M256 S286 F315	E161-E163 PolarHBondContact O-N 3.43Å; E161-V164 PolarHBondContact O-N 3.23Å; E161-R165 WeakPolarHBondContact O-CB 3.44Å; E161-R165 WeakPolarHBondContact O-CG 3.26Å; E161-R165 PolarHBondContact O-N 2.95Å; E161-R165 PolarHBondContact O-NE 3.45Å; E161-M256 HydrophobicContact CG-CE 4.18Å; E161-S286 VanDerWaalsContact CD-OG 3.32Å; E161-S286 WeakPolarHBondContact OE1-CB 3.41Å; E161-S286 PolarHBondContact OE1-N 3.02Å; E161-S286 VanDerWaalsContact OE1-N 3.14Å; E161-S286 PolarHBondContact OE1-OG 3.49Å; E161-S286 PolarHBondContact OE2-OG 2.95Å; E161-F315 HydrophobicContact CB-CE2 3.97Å; E161-F315 HydrophobicContact CB-CZ 4.4Å; E161-F315 HydrophobicContact CG-CE2 4.1Å
162	P	96.9	Very high	94.7	Very high	26 Å²	26	38.5 Å²	38.5	17%	0.169	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-40	172.6	-23.8	35.1	0	0	0	113.9	T160 R165 Y166 F320 P322 L336	T160-P162 VanDerWaalsContact C-CD 3.4Å; T160-P162 VanDerWaalsContact C-N 3.31Å; P162-R165 PolarHBondContact O-N 3.03Å; P162-Y166 WeakPolarHBondContact O-CB 3.47Å; P162-Y166 PolarHBondContact O-N 3.37Å; P162-F320 WeakPolarHBondContact CB-O 3.33Å; P162-P322 WeakPolarHBondContact O-CD 3.19Å; P162-L336 HydrophobicContact CB-CD1 3.68Å; P162-L336 HydrophobicContact CG-CD1 4.39Å
163	E	97.8	Very high	95	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.8	-44.2	174.7	-66.8	172.8	104.7	0	0	111.2	R156 L159 T160 E161 R165 Y166 Y167 L325 P334 L336	R156-E163 IonicContact CZ-OE1 3.67Å; R156-E163 IonicContact CZ-OE2 3.35Å; R156-E163 IonicContact NH1-OE1 3.82Å; R156-E163 PolarHBondContact NH1-OE1 3.15Å; R156-E163 IonicContact NH1-OE2 3.17Å; R156-E163 IonicContact NH2-OE1 2.7Å; R156-E163 PolarHBondContact NH2-OE1 3.1Å; R156-E163 IonicContact NH2-OE2 2.79Å; R156-E163 PolarHBondContact NH2-OE2 3.27Å; L159-E163 HydrophobicContact CB-CB 4.1Å; L159-E163 HydrophobicContact CD1-CB 4.45Å; T160-E163 WeakPolarHBondContact CB-OE2 3.41Å; T160-E163 PolarHBondContact N-OE2 2.89Å; T160-E163 WeakPolarHBondContact O-CA 3.42Å; T160-E163 WeakPolarHBondContact O-CB 3.12Å; T160-E163 PolarHBondContact O-N 3.25Å; T160-E163 VanDerWaalsContact OG1-CG 3.29Å; T160-E163 WeakPolarHBondContact OG1-CG 3.29Å; T160-E163 PolarHBondContact OG1-OE2 2.75Å; E161-E163 PolarHBondContact O-N 3.43Å; E163-R165 VanDerWaalsContact C-N 3.3Å; E163-R165 PolarHBondContact O-N 2.91Å; E163-Y166 WeakPolarHBondContact O-CB 3.45Å; E163-Y166 PolarHBondContact O-N 2.77Å; E163-Y167 HydrophobicContact CB-CE2 4.49Å; E163-Y167 WeakPolarHBondContact O-CD2 3.22Å; E163-Y167 PolarHBondContact O-N 3.17Å; E163-L325 HydrophobicContact CB-CD1 4.21Å; E163-L325 HydrophobicContact CG-CD1 3.98Å; E163-L325 HydrophobicContact CG-CD2 3.9Å; E163-P334 VanDerWaalsContact CD-CD 3.42Å; E163-P334 VanDerWaalsContact CD-CG 3.45Å; E163-P334 HydrophobicContact CG-CG 3.8Å; E163-P334 VanDerWaalsContact OE1-CD 3.24Å; E163-P334 WeakPolarHBondContact OE1-CD 3.46Å; E163-P334 WeakPolarHBondContact OE1-CG 3.18Å; E163-L336 HydrophobicContact CG-CD1 4.12Å
164	V	98.4	Very high	95.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.9	-41.7	177.1	179.2	0	0	0	0	110.4	L159 T160 E161 Y167 L168 M252 L255 M256 F315	L159-V164 HydrophobicContact CB-CG2 3.75Å; T160-V164 WeakPolarHBondContact O-CG2 3.28Å; T160-V164 PolarHBondContact O-N 3.4Å; E161-V164 PolarHBondContact O-N 3.23Å; V164-Y167 PolarHBondContact O-N 3.45Å; V164-L168 HydrophobicContact CG1-CD1 3.54Å; V164-L168 HydrophobicContact CG1-CG 3.98Å; V164-L168 VanDerWaalsContact O-CB 3.28Å; V164-L168 WeakPolarHBondContact O-CB 3.42Å; V164-L168 VanDerWaalsContact O-CG 3.23Å; V164-L168 WeakPolarHBondContact O-CG 3.37Å; V164-L168 PolarHBondContact O-N 3.38Å; V164-M252 HydrophobicContact CG1-CG 4.35Å; V164-L255 HydrophobicContact CG2-CB 3.92Å; V164-M256 HydrophobicContact CB-CE 4.19Å; V164-M256 HydrophobicContact CG1-CE 3.84Å; V164-M256 HydrophobicContact CG1-CG 4.33Å; V164-M256 HydrophobicContact CG2-CG 4.01Å; V164-F315 HydrophobicContact CG1-CZ 4.36Å
165	R	98.4	Very high	95.8	Very high	8 Å²	8	32 Å²	32	3%	0.03	15%	0.153	C	C	.	.	H	α-helix	trans	-66.3	-39	175.1	-73.1	-176.8	-79.6	87.6	-2.7	112.9	E161 P162 E163 R169 F315 F316 G319 F320 T321	E161-R165 WeakPolarHBondContact O-CB 3.44Å; E161-R165 WeakPolarHBondContact O-CG 3.26Å; E161-R165 PolarHBondContact O-N 2.95Å; E161-R165 PolarHBondContact O-NE 3.45Å; P162-R165 PolarHBondContact O-N 3.03Å; E163-R165 VanDerWaalsContact C-N 3.3Å; E163-R165 PolarHBondContact O-N 2.91Å; R165-R169 WeakPolarHBondContact O-CB 3.35Å; R165-R169 VanDerWaalsContact O-CG 3.31Å; R165-R169 WeakPolarHBondContact O-CG 3.34Å; R165-R169 PolarHBondContact O-N 3.44Å; R165-R169 VanDerWaalsContact O-N 3.12Å; R165-F315 HydrophobicContact CB-CE1 4.5Å; R165-F315 WeakPolarHBondContact CD-O 3.41Å; R165-F315 HydrophobicContact CG-CD1 3.74Å; R165-F315 HydrophobicContact CG-CE1 3.14Å; R165-F315 HydrophobicContact CG-CE2 4.03Å; R165-F315 HydrophobicContact CG-CG 4.42Å; R165-F315 HydrophobicContact CG-CZ 3.28Å; R165-F315 PolarHBondContact NE-O 3Å; R165-F316 HydrophobicContact CB-CD1 3.98Å; R165-F316 HydrophobicContact CB-CE1 3.95Å; R165-F316 HydrophobicContact CG-CD1 3.78Å; R165-F316 HydrophobicContact CG-CE1 3.81Å; R165-F316 HydrophobicContact CG-CG 4.5Å; R165-G319 PolarHBondContact NH1-O 2.76Å; R165-F320 VanDerWaalsContact CZ-O 3.31Å; R165-F320 PolarHBondContact NH1-O 2.79Å; R165-F320 PolarHBondContact NH2-O 3.47Å; R165-T321 HydrophobicContact CB-CG2 4.09Å; R165-T321 PolarHBondContact NH1-OG1 3.43Å
166	Y	98.5	Very high	96.6	Very high	18 Å²	18	29.2 Å²	29.2	7%	0.071	14%	0.139	C	C	.	.	H	α-helix	trans	-60.5	-45.8	174.8	174.4	-100.9	0	0	0	112.3	P162 E163 Q170 M199 P322 L325	P162-Y166 WeakPolarHBondContact O-CB 3.47Å; P162-Y166 PolarHBondContact O-N 3.37Å; E163-Y166 WeakPolarHBondContact O-CB 3.45Å; E163-Y166 PolarHBondContact O-N 2.77Å; Y166-Q170 WeakPolarHBondContact O-CG 3.49Å; Y166-Q170 PolarHBondContact O-NE2 3Å; Y166-M199 WeakPolarHBondContact CE1-O 3.46Å; Y166-M199 PolarHBondContact OH-O 3.07Å; Y166-M199 VanDerWaalsContact OH-O 3.1Å; Y166-P322 VanDerWaalsContact CD2-O 3.31Å; Y166-P322 WeakPolarHBondContact CD2-O 3.44Å; Y166-L325 HydrophobicContact CD1-CB 4.5Å; Y166-L325 HydrophobicContact CD1-CD1 3.35Å; Y166-L325 HydrophobicContact CD1-CG 3.58Å; Y166-L325 HydrophobicContact CE1-CB 4.22Å; Y166-L325 HydrophobicContact CE1-CD1 3.76Å; Y166-L325 HydrophobicContact CE1-CG 3.78Å; Y166-L325 HydrophobicContact CG-CD1 4.09Å; Y166-L325 HydrophobicContact CG-CG 3.99Å
167	Y	98.8	Very high	97.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-75.3	-44.1	178.7	-67.4	-58.3	0	0	0	112.9	L149 L159 E163 V164 R169 Q170 I171 I195 M199 L201 L325	L149-Y167 HydrophobicContact CD1-CD1 4.33Å; L149-Y167 HydrophobicContact CD1-CD2 3.85Å; L149-Y167 HydrophobicContact CD1-CE1 4.26Å; L149-Y167 HydrophobicContact CD1-CE2 3.77Å; L149-Y167 HydrophobicContact CD1-CG 4.13Å; L149-Y167 HydrophobicContact CD2-CG 4.44Å; L159-Y167 HydrophobicContact CD1-CD2 3.85Å; L159-Y167 HydrophobicContact CD1-CE2 3.8Å; E163-Y167 HydrophobicContact CB-CE2 4.49Å; E163-Y167 WeakPolarHBondContact O-CD2 3.22Å; E163-Y167 PolarHBondContact O-N 3.17Å; V164-Y167 PolarHBondContact O-N 3.45Å; Y167-R169 VanDerWaalsContact C-N 3.34Å; Y167-R169 PolarHBondContact O-N 2.92Å; Y167-Q170 WeakPolarHBondContact O-CB 3.33Å; Y167-Q170 PolarHBondContact O-N 2.85Å; Y167-I171 WeakPolarHBondContact O-CG1 3.41Å; Y167-I171 PolarHBondContact O-N 2.91Å; Y167-I195 HydrophobicContact CD1-CD1 4.22Å; Y167-I195 HydrophobicContact CE1-CD1 3.79Å; Y167-M199 VanDerWaalsContact OH-CE 3.28Å; Y167-M199 WeakPolarHBondContact OH-CE 3.34Å; Y167-L201 HydrophobicContact CD1-CB 4.39Å; Y167-L201 HydrophobicContact CD1-CD1 3.96Å; Y167-L201 HydrophobicContact CG-CD1 4.46Å; Y167-L325 HydrophobicContact CD2-CD1 4.48Å; Y167-L325 HydrophobicContact CE1-CD1 4.37Å; Y167-L325 HydrophobicContact CE2-CD1 3.67Å
168	L	98.7	Very high	97.7	Very high	3 Å²	3	24 Å²	24	2%	0.016	12%	0.119	C	C	.	.	H	α-helix	trans	-61.5	-38.7	-179.6	-72	176.3	0	0	0	112.3	V164 Q170 I171 I172 L248 V251 M252 F315 F316	V164-L168 HydrophobicContact CG1-CD1 3.54Å; V164-L168 HydrophobicContact CG1-CG 3.98Å; V164-L168 VanDerWaalsContact O-CB 3.28Å; V164-L168 WeakPolarHBondContact O-CB 3.42Å; V164-L168 VanDerWaalsContact O-CG 3.23Å; V164-L168 WeakPolarHBondContact O-CG 3.37Å; V164-L168 PolarHBondContact O-N 3.38Å; L168-Q170 PolarHBondContact O-N 2.96Å; L168-I171 HydrophobicContact CD2-CD1 4.31Å; L168-I171 PolarHBondContact O-N 3.17Å; L168-I172 HydrophobicContact CB-CD1 4.49Å; L168-I172 WeakPolarHBondContact O-CB 3.39Å; L168-I172 WeakPolarHBondContact O-CD1 3.47Å; L168-I172 WeakPolarHBondContact O-CG1 3.37Å; L168-I172 PolarHBondContact O-N 2.96Å; L168-L248 HydrophobicContact CD2-CD1 3.54Å; L168-L248 HydrophobicContact CD2-CG 4.29Å; L168-V251 HydrophobicContact CD2-CG1 4.41Å; L168-M252 HydrophobicContact CD1-CB 3.94Å; L168-M252 HydrophobicContact CD1-CG 3.79Å; L168-M252 HydrophobicContact CD1-SD 3.88Å; L168-M252 HydrophobicContact CD2-CB 4.28Å; L168-F315 HydrophobicContact CD1-CE1 4.31Å; L168-F316 HydrophobicContact CB-CE1 4.12Å; L168-F316 HydrophobicContact CB-CZ 3.78Å; L168-F316 HydrophobicContact CD1-CZ 4.08Å
169	R	98.6	Very high	97.9	Very high	127 Å²	127	22.2 Å²	22.2	48%	0.479	11%	0.106	S	C	.	.	H	α-helix	trans	-56.9	-38.2	173.8	-78.1	178.1	69	-177.8	-1.8	112.4	R165 Y167 S173 L311 F316	R165-R169 WeakPolarHBondContact O-CB 3.35Å; R165-R169 VanDerWaalsContact O-CG 3.31Å; R165-R169 WeakPolarHBondContact O-CG 3.34Å; R165-R169 PolarHBondContact O-N 3.44Å; R165-R169 VanDerWaalsContact O-N 3.12Å; Y167-R169 VanDerWaalsContact C-N 3.34Å; Y167-R169 PolarHBondContact O-N 2.92Å; R169-S173 VanDerWaalsContact O-CB 3.27Å; R169-S173 WeakPolarHBondContact O-CB 3.23Å; R169-S173 PolarHBondContact O-N 2.82Å; R169-L311 HydrophobicContact CG-CD2 3.91Å; R169-F316 HydrophobicContact CG-CD1 3.88Å; R169-F316 HydrophobicContact CG-CE1 3.77Å
170	Q	98.8	Very high	98.1	Very high	14 Å²	14	28.1 Å²	28.1	7%	0.065	14%	0.138	C	C	.	.	H	α-helix	trans	-76	-40.5	179.5	-64.9	175.1	72.9	0	0	111.9	H123 Y166 Y167 L168 S173 G174 L201	H123-Q170 HydrophobicContact CB-CB 4.44Å; H123-Q170 PolarHBondContact CE1-OE1 2.98Å; H123-Q170 PolarHBondContact ND1-OE1 2.95Å; H123-Q170 VanDerWaalsContact ND1-OE1 3.14Å; Y166-Q170 WeakPolarHBondContact O-CG 3.49Å; Y166-Q170 PolarHBondContact O-NE2 3Å; Y167-Q170 WeakPolarHBondContact O-CB 3.33Å; Y167-Q170 PolarHBondContact O-N 2.85Å; L168-Q170 PolarHBondContact O-N 2.96Å; Q170-S173 PolarHBondContact O-N 2.87Å; Q170-G174 PolarHBondContact O-N 3.08Å; Q170-L201 HydrophobicContact CB-CB 3.96Å; Q170-L201 HydrophobicContact CB-CD2 4.42Å
171	I	98.8	Very high	98.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.2	-49.8	173.4	-65.1	164.2	0	0	0	109.9	Y167 L168 S173 G174 L175 F193 L201 L203 L248 V251	Y167-I171 WeakPolarHBondContact O-CG1 3.41Å; Y167-I171 PolarHBondContact O-N 2.91Å; L168-I171 HydrophobicContact CD2-CD1 4.31Å; L168-I171 PolarHBondContact O-N 3.17Å; I171-S173 VanDerWaalsContact C-N 3.33Å; I171-S173 PolarHBondContact O-N 3.47Å; I171-G174 PolarHBondContact O-N 3.47Å; I171-L175 HydrophobicContact CG2-CD1 3.84Å; I171-L175 HydrophobicContact CG2-CG 4.31Å; I171-L175 WeakPolarHBondContact O-CG 3.49Å; I171-L175 PolarHBondContact O-N 3.47Å; I171-F193 HydrophobicContact CD1-CD2 3.87Å; I171-F193 HydrophobicContact CD1-CE2 3.84Å; I171-F193 HydrophobicContact CD1-CG 4.26Å; I171-F193 HydrophobicContact CD1-CZ 4.16Å; I171-F193 HydrophobicContact CG1-CD1 4.39Å; I171-F193 HydrophobicContact CG1-CE1 4.43Å; I171-F193 HydrophobicContact CG1-CG 4.43Å; I171-F193 HydrophobicContact CG2-CE1 4.27Å; I171-F193 HydrophobicContact CG2-CZ 4.28Å; I171-L201 HydrophobicContact CD1-CD1 3.85Å; I171-L201 HydrophobicContact CG1-CD1 3.51Å; I171-L201 HydrophobicContact CG1-CD2 3.68Å; I171-L201 HydrophobicContact CG1-CG 4.27Å; I171-L203 HydrophobicContact CG1-CD2 4.45Å; I171-L203 HydrophobicContact CG2-CD2 4.21Å; I171-L248 HydrophobicContact CB-CD1 4.21Å; I171-L248 HydrophobicContact CG2-CD1 3.48Å; I171-L248 VanDerWaalsContact CG2-CD1 3.48Å; I171-V251 HydrophobicContact CD1-CG1 4.27Å
172	I	98.8	Very high	98.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.2	-41.8	178	-66.4	162.7	0	0	0	111.1	L168 G174 L175 K176 L248 L307 I310 L311 F316	L168-I172 HydrophobicContact CB-CD1 4.49Å; L168-I172 WeakPolarHBondContact O-CB 3.39Å; L168-I172 WeakPolarHBondContact O-CD1 3.47Å; L168-I172 WeakPolarHBondContact O-CG1 3.37Å; L168-I172 PolarHBondContact O-N 2.96Å; I172-G174 PolarHBondContact O-N 3.02Å; I172-L175 PolarHBondContact O-N 3.25Å; I172-K176 HydrophobicContact CG2-CD 4.38Å; I172-K176 HydrophobicContact CG2-CG 4.28Å; I172-K176 WeakPolarHBondContact O-CB 3.31Å; I172-K176 WeakPolarHBondContact O-CG 3.48Å; I172-K176 PolarHBondContact O-N 2.8Å; I172-L248 HydrophobicContact CD1-CD2 4.21Å; I172-L248 HydrophobicContact CG1-CD2 3.66Å; I172-L307 HydrophobicContact CG1-CD2 4.28Å; I172-L307 HydrophobicContact CG2-CB 3.94Å; I172-L307 HydrophobicContact CG2-CD2 4.16Å; I172-L307 HydrophobicContact CG2-CG 4.48Å; I172-I310 HydrophobicContact CD1-CB 4.46Å; I172-I310 HydrophobicContact CD1-CG2 3.59Å; I172-L311 HydrophobicContact CB-CD2 4.36Å; I172-L311 HydrophobicContact CD1-CD2 3.77Å; I172-L311 HydrophobicContact CD1-CG 4.08Å; I172-L311 HydrophobicContact CG2-CD1 3.68Å; I172-L311 HydrophobicContact CG2-CD2 4.22Å; I172-L311 HydrophobicContact CG2-CG 3.84Å; I172-F316 HydrophobicContact CD1-CZ 4.25Å
173	S	98.8	Very high	98	Very high	46 Å²	46	30 Å²	30	32%	0.322	14%	0.142	S	C	.	.	H	α-helix	trans	-59	-45	175.5	179	0	0	0	0	112	H121 R169 Q170 I171 Y177	H121-S173 PolarHBondContact CE1-O 3.01Å; H121-S173 PolarHBondContact CE1-OG 2.86Å; R169-S173 VanDerWaalsContact O-CB 3.27Å; R169-S173 WeakPolarHBondContact O-CB 3.23Å; R169-S173 PolarHBondContact O-N 2.82Å; Q170-S173 PolarHBondContact O-N 2.87Å; I171-S173 VanDerWaalsContact C-N 3.33Å; I171-S173 PolarHBondContact O-N 3.47Å; S173-Y177 PolarHBondContact O-N 2.99Å
174	G	98.6	Very high	97.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.1	-41.9	173.7	0	0	0	0	0	113.3	Q170 I171 I172 Y177 L178	Q170-G174 PolarHBondContact O-N 3.08Å; I171-G174 PolarHBondContact O-N 3.47Å; I172-G174 PolarHBondContact O-N 3.02Å; G174-Y177 WeakPolarHBondContact O-CB 3.46Å; G174-Y177 PolarHBondContact O-N 3.28Å; G174-L178 WeakPolarHBondContact O-CG 3.47Å; G174-L178 PolarHBondContact O-N 3.1Å; G174-L178 VanDerWaalsContact O-N 3.17Å
175	L	98.4	Very high	97.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66	-44.1	179	-73.6	174.7	0	0	0	112.7	I171 I172 Y177 L178 H179 L188 L203 L248 L307	I171-L175 HydrophobicContact CG2-CD1 3.84Å; I171-L175 HydrophobicContact CG2-CG 4.31Å; I171-L175 WeakPolarHBondContact O-CG 3.49Å; I171-L175 PolarHBondContact O-N 3.47Å; I172-L175 PolarHBondContact O-N 3.25Å; L175-Y177 PolarHBondContact O-N 2.85Å; L175-L178 PolarHBondContact O-N 2.74Å; L175-H179 WeakPolarHBondContact O-CB 3.34Å; L175-H179 PolarHBondContact O-N 2.84Å; L175-L188 HydrophobicContact CD1-CD1 3.9Å; L175-L188 HydrophobicContact CD2-CD1 3.62Å; L175-L188 HydrophobicContact CD2-CD2 3.81Å; L175-L188 HydrophobicContact CD2-CG 4.31Å; L175-L188 HydrophobicContact CG-CD1 4.39Å; L175-L203 HydrophobicContact CD2-CD1 4.19Å; L175-L203 HydrophobicContact CG-CD1 4.16Å; L175-L248 HydrophobicContact CD1-CD1 4.48Å; L175-L248 HydrophobicContact CD1-CD2 4.47Å; L175-L307 HydrophobicContact CB-CD1 3.85Å; L175-L307 HydrophobicContact CD1-CD2 4.43Å
176	K	98.4	Very high	97.6	Very high	56 Å²	56	31.2 Å²	31.2	24%	0.243	15%	0.147	C	C	.	.	H	α-helix	trans	-55.6	-41.4	174	-79.8	-166	53.2	149.1	0	111.5	I172 N180 L307 D308	I172-K176 HydrophobicContact CG2-CD 4.38Å; I172-K176 HydrophobicContact CG2-CG 4.28Å; I172-K176 WeakPolarHBondContact O-CB 3.31Å; I172-K176 WeakPolarHBondContact O-CG 3.48Å; I172-K176 PolarHBondContact O-N 2.8Å; K176-N180 WeakPolarHBondContact O-CB 3.31Å; K176-N180 PolarHBondContact O-N 3.49Å; K176-N180 PolarHBondContact O-OD1 3.27Å; K176-L307 HydrophobicContact CB-CD1 4.45Å; K176-L307 HydrophobicContact CD-CB 4.25Å; K176-L307 HydrophobicContact CG-CB 3.86Å; K176-L307 HydrophobicContact CG-CD1 3.63Å; K176-L307 HydrophobicContact CG-CG 4.4Å; K176-D308 IonicContact NZ-OD1 2.74Å; K176-D308 PolarHBondContact NZ-OD1 3.06Å; K176-D308 IonicContact NZ-OD2 3.45Å; K176-D308 PolarHBondContact NZ-OD2 2.94Å
177	Y	98.6	Very high	97.4	Very high	33 Å²	33	30.9 Å²	30.9	13%	0.129	15%	0.147	C	C	.	.	H	α-helix	trans	-62.8	-40.8	175.9	170.1	-92.4	0	0	0	113.1	L119 S120 H121 V124 S173 G174 L175 R181	L119-Y177 HydrophobicContact CB-CE1 4.25Å; L119-Y177 HydrophobicContact CD2-CE1 4.06Å; S120-Y177 PolarHBondContact N-OH 3.29Å; S120-Y177 PolarHBondContact O-OH 3.28Å; H121-Y177 HydrophobicContact CB-CD1 3.67Å; H121-Y177 HydrophobicContact CB-CD2 3.79Å; H121-Y177 HydrophobicContact CB-CE1 3.8Å; H121-Y177 HydrophobicContact CB-CE2 3.9Å; H121-Y177 HydrophobicContact CB-CG 3.67Å; H121-Y177 AromaticContact CD2-CD2 3.57Å; H121-Y177 AromaticContact CD2-CG 3.8Å; H121-Y177 AromaticContact CG-CD1 3.97Å; H121-Y177 AromaticContact CG-CD2 3.66Å; H121-Y177 AromaticContact CG-CG 3.49Å; H121-Y177 VanDerWaalsContact CG-CG 3.49Å; H121-Y177 AromaticContact ND1-CG 3.85Å; V124-Y177 HydrophobicContact CG2-CD1 4.24Å; S173-Y177 PolarHBondContact O-N 2.99Å; G174-Y177 WeakPolarHBondContact O-CB 3.46Å; G174-Y177 PolarHBondContact O-N 3.28Å; L175-Y177 PolarHBondContact O-N 2.85Å; Y177-R181 PolarHBondContact OH-NE 3.48Å; Y177-R181 PolarHBondContact OH-NH1 3.26Å; Y177-R181 PolarHBondContact OH-NH2 3.48Å
178	L	98.1	Very high	97.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-69.4	-49	176.6	-63.2	175.7	0	0	0	111.8	L119 G174 L175 N180 R181 G182 I183 H185 L203 F206	L119-L178 HydrophobicContact CD1-CD2 3.72Å; L119-L178 HydrophobicContact CD2-CD2 4.07Å; G174-L178 WeakPolarHBondContact O-CG 3.47Å; G174-L178 PolarHBondContact O-N 3.1Å; G174-L178 VanDerWaalsContact O-N 3.17Å; L175-L178 PolarHBondContact O-N 2.74Å; L178-N180 PolarHBondContact O-N 2.85Å; L178-R181 CarbonylContact O-C 3.48Å; L178-R181 WeakPolarHBondContact O-CA 3.42Å; L178-R181 PolarHBondContact O-N 3.34Å; L178-G182 PolarHBondContact O-N 3.22Å; L178-I183 CarbonylContact C-O 3.56Å; L178-I183 HydrophobicContact CB-CB 4.36Å; L178-I183 HydrophobicContact CB-CG2 4.49Å; L178-I183 HydrophobicContact CD2-CG2 4.29Å; L178-I183 PolarHBondContact O-N 2.99Å; L178-H185 HydrophobicContact CD1-CB 4.44Å; L178-L203 HydrophobicContact CD1-CD1 4.19Å; L178-F206 HydrophobicContact CD1-CE1 3.86Å; L178-F206 HydrophobicContact CD1-CZ 4.34Å; L178-F206 HydrophobicContact CD2-CE1 3.8Å; L178-F206 HydrophobicContact CD2-CZ 4.25Å
179	H	97.4	Very high	97.2	Very high	27 Å²	27	33 Å²	33	13%	0.125	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-40.6	-177.9	-69.3	-172.9	0	0	0	111.6	L175 R181 G182 I183 T241 D244	L175-H179 WeakPolarHBondContact O-CB 3.34Å; L175-H179 PolarHBondContact O-N 2.84Å; H179-R181 PolarHBondContact O-N 2.92Å; H179-R181 VanDerWaalsContact O-N 3.17Å; H179-G182 PolarHBondContact O-N 2.92Å; H179-I183 PolarHBondContact CD2-O 2.66Å; H179-T241 HydrophobicContact CB-CG2 4.07Å; H179-T241 PolarHBondContact CE1-O 2.97Å; H179-D244 IonicContact CD2-OD2 2.85Å; H179-D244 IonicContact CE1-OD2 3.38Å; H179-D244 IonicContact NE2-OD2 2.64Å; H179-D244 PolarHBondContact NE2-OD2 3.08Å
180	N	97.1	Very high	97.1	Very high	133 Å²	133	27.2 Å²	27.2	71%	0.711	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18	174.1	-72.3	3.5	0	0	0	113.8	K176 L178	K176-N180 WeakPolarHBondContact O-CB 3.31Å; K176-N180 PolarHBondContact O-N 3.49Å; K176-N180 PolarHBondContact O-OD1 3.27Å; L178-N180 PolarHBondContact O-N 2.85Å
181	R	96.3	Very high	96.9	Very high	131 Å²	131	27.7 Å²	27.7	49%	0.494	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	7.5	173.5	-73.2	-179.7	159.1	-137.8	1.3	112.9	S118 Y177 L178 H179 I183	S118-R181 PolarHBondContact O-NH1 2.93Å; Y177-R181 PolarHBondContact OH-NE 3.48Å; Y177-R181 PolarHBondContact OH-NH1 3.26Å; Y177-R181 PolarHBondContact OH-NH2 3.48Å; L178-R181 CarbonylContact O-C 3.48Å; L178-R181 WeakPolarHBondContact O-CA 3.42Å; L178-R181 PolarHBondContact O-N 3.34Å; H179-R181 PolarHBondContact O-N 2.92Å; H179-R181 VanDerWaalsContact O-N 3.17Å; R181-I183 HydrophobicContact CB-CD1 4.23Å; R181-I183 HydrophobicContact CB-CG1 4.4Å
182	G	95.4	Very high	96.8	Very high	24 Å²	24	28.1 Å²	28.1	25%	0.247	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	42.3	-174.1	0	0	0	0	0	112	L178 H179 K211 L212	L178-G182 PolarHBondContact O-N 3.22Å; H179-G182 PolarHBondContact O-N 2.92Å; G182-K211 CarbonylContact O-C 3.57Å; G182-K211 VanDerWaalsContact O-CA 3.24Å; G182-K211 WeakPolarHBondContact O-CA 3.3Å; G182-L212 PolarHBondContact O-N 3.5Å
183	I	95.8	Very high	96.8	Very high	11 Å²	11	28.1 Å²	28.1	6%	0.056	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.4	177.1	-64.3	172.3	0	0	0	109.5	L115 L119 L178 H179 R181 A210	L115-I183 HydrophobicContact CD1-CG2 4.25Å; L115-I183 HydrophobicContact CD2-CD1 4.41Å; L115-I183 HydrophobicContact CD2-CG2 4.16Å; L115-I183 HydrophobicContact CG-CD1 4.3Å; L119-I183 HydrophobicContact CD2-CD1 3.74Å; L178-I183 CarbonylContact C-O 3.56Å; L178-I183 HydrophobicContact CB-CB 4.36Å; L178-I183 HydrophobicContact CB-CG2 4.49Å; L178-I183 HydrophobicContact CD2-CG2 4.29Å; L178-I183 PolarHBondContact O-N 2.99Å; H179-I183 PolarHBondContact CD2-O 2.66Å; R181-I183 HydrophobicContact CB-CD1 4.23Å; R181-I183 HydrophobicContact CB-CG1 4.4Å; I183-A210 WeakPolarHBondContact CA-O 3.48Å
184	L	95.1	Very high	96.7	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	139.2	172.6	-59.4	-178.5	0	0	0	110.2	R186 A209 A210 L212 H239 T241	L184-R186 HydrophobicContact CB-CG 3.74Å; L184-A209 VanDerWaalsContact O-CA 3.24Å; L184-A209 WeakPolarHBondContact O-CA 3.45Å; L184-A209 WeakPolarHBondContact O-CB 3.49Å; L184-A210 PolarHBondContact N-O 3.16Å; L184-A210 PolarHBondContact O-N 3.07Å; L184-A210 VanDerWaalsContact O-N 3.12Å; L184-L212 HydrophobicContact CD1-CD1 3.93Å; L184-L212 HydrophobicContact CD2-CD1 4.21Å; L184-L212 HydrophobicContact CG-CB 4.48Å; L184-L212 HydrophobicContact CG-CD1 4.19Å; L184-H239 HydrophobicContact CD1-CB 4.18Å; L184-H239 WeakPolarHBondContact CD1-O 3.43Å; L184-T241 HydrophobicContact CD2-CG2 3.61Å
185	H	96	Very high	96.7	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.143	C	C	.	.			trans	-83.5	-41.6	179.3	-166.1	-71.3	0	0	0	112.5	L178 D187 L188 G204 F206 D244	L178-H185 HydrophobicContact CD1-CB 4.44Å; H185-D187 PolarHBondContact CE1-O 3.23Å; H185-D187 PolarHBondContact ND1-O 3.3Å; H185-D187 PolarHBondContact O-N 3.37Å; H185-L188 HydrophobicContact CB-CD1 4.45Å; H185-L188 HydrophobicContact CB-CD2 3.78Å; H185-L188 HydrophobicContact CB-CG 3.92Å; H185-L188 VanDerWaalsContact CG-CD2 3.45Å; H185-G204 PolarHBondContact NE2-O 3.27Å; H185-F206 AromaticContact CD2-CE1 3.98Å; H185-D244 PolarHBondContact N-OD2 3Å
186	R	94.4	Very high	96.6	Very high	27 Å²	27	29.4 Å²	29.4	10%	0.102	15%	0.146	C	C	.	.			trans	64	-6.7	172.1	-53.8	174.9	69.3	-144.8	13.3	117.3	L184 L208 C223 H239 D244	L184-R186 HydrophobicContact CB-CG 3.74Å; R186-L208 PolarHBondContact NH1-O 3.24Å; R186-C223 PolarHBondContact NH2-SG 2.89Å; R186-H239 HydrophobicContact CG-CB 4.17Å; R186-H239 PolarHBondContact NE-ND1 3.28Å; R186-H239 PolarHBondContact NH2-CE1 3.12Å; R186-H239 PolarHBondContact NH2-ND1 3.05Å; R186-D244 PolarHBondContact N-OD1 3.01Å
187	D	94.6	Very high	96.4	Very high	11 Å²	11	32.7 Å²	32.7	6%	0.059	16%	0.162	C	C	.	.			trans	-140.5	56.5	172.1	-165.6	39.5	0	0	0	112.3	H185 K189 N192 L208 T225	H185-D187 PolarHBondContact CE1-O 3.23Å; H185-D187 PolarHBondContact ND1-O 3.3Å; H185-D187 PolarHBondContact O-N 3.37Å; D187-K189 PolarHBondContact O-N 2.94Å; D187-K189 IonicContact OD1-NZ 2.89Å; D187-K189 WeakPolarHBondContact OD2-CE 3.32Å; D187-K189 IonicContact OD2-NZ 2.8Å; D187-K189 PolarHBondContact OD2-NZ 3.29Å; D187-N192 PolarHBondContact O-ND2 3.27Å; D187-N192 PolarHBondContact OD2-ND2 3.36Å; D187-L208 HydrophobicContact CB-CB 4.38Å; D187-L208 HydrophobicContact CB-CD1 3.99Å; D187-T225 WeakPolarHBondContact OD1-CB 3.19Å; D187-T225 PolarHBondContact OD1-N 2.83Å; D187-T225 PolarHBondContact OD1-OG1 3.27Å
188	L	97.3	Very high	96.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.177	C	C	.	.			trans	-78.3	120.1	175.3	-65.1	168.3	0	0	0	110.2	L175 H185 F193 D244	L175-L188 HydrophobicContact CD1-CD1 3.9Å; L175-L188 HydrophobicContact CD2-CD1 3.62Å; L175-L188 HydrophobicContact CD2-CD2 3.81Å; L175-L188 HydrophobicContact CD2-CG 4.31Å; L175-L188 HydrophobicContact CG-CD1 4.39Å; H185-L188 HydrophobicContact CB-CD1 4.45Å; H185-L188 HydrophobicContact CB-CD2 3.78Å; H185-L188 HydrophobicContact CB-CG 3.92Å; H185-L188 VanDerWaalsContact CG-CD2 3.45Å; L188-F193 HydrophobicContact CB-CE1 4.49Å; L188-F193 HydrophobicContact CB-CZ 4.2Å; L188-F193 HydrophobicContact CD2-CE1 3.88Å; L188-F193 HydrophobicContact CD2-CZ 4.35Å; L188-D244 HydrophobicContact CD1-CB 3.6Å; L188-D244 WeakPolarHBondContact CD1-O 3.36Å
189	K	95.5	Very high	96.1	Very high	45 Å²	45	35.1 Å²	35.1	20%	0.196	18%	0.178	C	C	.	.			trans	-159.4	161.5	-178.9	67.3	-159.6	-175.2	-161.8	0	110.2	D187 G191 N192 F193 T225 Y228	D187-K189 PolarHBondContact O-N 2.94Å; D187-K189 IonicContact OD1-NZ 2.89Å; D187-K189 WeakPolarHBondContact OD2-CE 3.32Å; D187-K189 IonicContact OD2-NZ 2.8Å; D187-K189 PolarHBondContact OD2-NZ 3.29Å; K189-G191 PolarHBondContact O-N 2.86Å; K189-N192 WeakPolarHBondContact CE-ND2 3.34Å; K189-N192 VanDerWaalsContact CE-OD1 3.27Å; K189-N192 WeakPolarHBondContact CE-OD1 3.36Å; K189-N192 HydrophobicContact CG-CB 4.16Å; K189-N192 PolarHBondContact O-N 2.92Å; K189-F193 WeakPolarHBondContact O-CD2 3.48Å; K189-F193 WeakPolarHBondContact O-CE2 3.42Å; K189-T225 HydrophobicContact CD-CG2 4.29Å; K189-T225 WeakPolarHBondContact CD-OG1 3.38Å; K189-T225 PolarHBondContact NZ-OG1 3.2Å; K189-Y228 HydrophobicContact CB-CD2 4.03Å; K189-Y228 HydrophobicContact CB-CE1 4.4Å; K189-Y228 HydrophobicContact CB-CE2 3.87Å; K189-Y228 HydrophobicContact CB-CG 4.38Å
190	L	96.9	Very high	96.1	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.031	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-53.1	-31.1	179.7	-57	-173.9	0	0	0	113.9	L149 A150 W153 N192 F193 V251 T254 L255	L149-L190 HydrophobicContact CD2-CD2 4.05Å; L149-L190 HydrophobicContact CG-CD2 4.31Å; L149-L190 PolarHBondContact N-O 2.93Å; A150-L190 HydrophobicContact CB-CB 3.77Å; A150-L190 PolarHBondContact N-O 3Å; W153-L190 HydrophobicContact CB-CD1 3.83Å; W153-L190 HydrophobicContact CD2-CD1 3.95Å; W153-L190 HydrophobicContact CE3-CD1 4.47Å; W153-L190 HydrophobicContact CG-CD1 3.63Å; L190-N192 VanDerWaalsContact C-N 3.29Å; L190-N192 PolarHBondContact O-N 2.93Å; L190-F193 HydrophobicContact CD2-CD2 4.32Å; L190-F193 HydrophobicContact CD2-CE2 4.39Å; L190-V251 HydrophobicContact CD2-CG1 3.98Å; L190-V251 HydrophobicContact CD2-CG2 4.39Å; L190-T254 HydrophobicContact CD1-CG2 3.76Å; L190-L255 HydrophobicContact CD1-CD2 4.21Å; L190-L255 HydrophobicContact CD2-CD1 4.41Å; L190-L255 HydrophobicContact CD2-CD2 3.63Å; L190-L255 HydrophobicContact CD2-CG 3.92Å
191	G	94.8	Very high	96.2	Very high	25 Å²	25	29.5 Å²	29.5	26%	0.258	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-66	-27.8	178.2	0	0	0	0	0	114.3	S148 K189	S148-G191 VanDerWaalsContact CB-O 3.3Å; S148-G191 WeakPolarHBondContact CB-O 3.43Å; S148-G191 PolarHBondContact OG-O 3.3Å; K189-G191 PolarHBondContact O-N 2.86Å
192	N	96.4	Very high	96.3	Very high	8 Å²	8	24.7 Å²	24.7	4%	0.043	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-99.3	4	-172.2	-69.6	6.3	0	0	0	112.6	D187 K189 L190 F194 G204	D187-N192 PolarHBondContact O-ND2 3.27Å; D187-N192 PolarHBondContact OD2-ND2 3.36Å; K189-N192 WeakPolarHBondContact CE-ND2 3.34Å; K189-N192 VanDerWaalsContact CE-OD1 3.27Å; K189-N192 WeakPolarHBondContact CE-OD1 3.36Å; K189-N192 HydrophobicContact CG-CB 4.16Å; K189-N192 PolarHBondContact O-N 2.92Å; L190-N192 VanDerWaalsContact C-N 3.29Å; L190-N192 PolarHBondContact O-N 2.93Å; N192-F194 WeakPolarHBondContact O-CD2 3.08Å; N192-G204 WeakPolarHBondContact CB-O 3.43Å; N192-G204 PolarHBondContact O-N 2.77Å
193	F	98.3	Very high	96.4	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	91	175.1	-55.6	-31.8	0	0	0	109.4	S148 L149 I171 L188 K189 L190 L201 L203 V251	S148-F193 CarbonylContact C-O 3.56Å; S148-F193 WeakPolarHBondContact CA-O 3.47Å; S148-F193 VanDerWaalsContact CB-O 3.29Å; S148-F193 WeakPolarHBondContact CB-O 3.43Å; L149-F193 HydrophobicContact CB-CB 3.9Å; L149-F193 HydrophobicContact CB-CD2 4.45Å; L149-F193 HydrophobicContact CD2-CB 4.46Å; L149-F193 HydrophobicContact CD2-CD2 4.01Å; L149-F193 PolarHBondContact N-O 3Å; I171-F193 HydrophobicContact CD1-CD2 3.87Å; I171-F193 HydrophobicContact CD1-CE2 3.84Å; I171-F193 HydrophobicContact CD1-CG 4.26Å; I171-F193 HydrophobicContact CD1-CZ 4.16Å; I171-F193 HydrophobicContact CG1-CD1 4.39Å; I171-F193 HydrophobicContact CG1-CE1 4.43Å; I171-F193 HydrophobicContact CG1-CG 4.43Å; I171-F193 HydrophobicContact CG2-CE1 4.27Å; I171-F193 HydrophobicContact CG2-CZ 4.28Å; L188-F193 HydrophobicContact CB-CE1 4.49Å; L188-F193 HydrophobicContact CB-CZ 4.2Å; L188-F193 HydrophobicContact CD2-CE1 3.88Å; L188-F193 HydrophobicContact CD2-CZ 4.35Å; K189-F193 WeakPolarHBondContact O-CD2 3.48Å; K189-F193 WeakPolarHBondContact O-CE2 3.42Å; L190-F193 HydrophobicContact CD2-CD2 4.32Å; L190-F193 HydrophobicContact CD2-CE2 4.39Å; F193-L201 HydrophobicContact CB-CD1 3.9Å; F193-L201 HydrophobicContact CB-CG 4.19Å; F193-L201 HydrophobicContact CG-CD1 4.38Å; F193-L203 HydrophobicContact CD1-CD2 3.42Å; F193-L203 VanDerWaalsContact CD1-CD2 3.42Å; F193-L203 HydrophobicContact CE1-CD2 3.5Å; F193-V251 HydrophobicContact CD2-CG1 4.45Å; F193-V251 HydrophobicContact CE2-CB 4.22Å; F193-V251 HydrophobicContact CE2-CG1 3.61Å; F193-V251 HydrophobicContact CE2-CG2 3.58Å; F193-V251 HydrophobicContact CZ-CG1 4.38Å; F193-V251 HydrophobicContact CZ-CG2 3.95Å
194	F	98.1	Very high	96.4	Very high	60 Å²	60	23 Å²	23	26%	0.263	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	145.7	-175.4	-60.2	-82.7	0	0	0	111.3	V125 C144 K147 N192 L201 R202	V125-F194 HydrophobicContact CG2-CB 4.33Å; V125-F194 HydrophobicContact CG2-CD2 3.79Å; V125-F194 HydrophobicContact CG2-CG 4.35Å; C144-F194 HydrophobicContact CB-CB 3.58Å; C144-F194 VanDerWaalsContact SG-CB 3.6Å; K147-F194 CarbonylContact O-C 3.57Å; K147-F194 VanDerWaalsContact O-CA 3.31Å; K147-F194 WeakPolarHBondContact O-CA 3.45Å; N192-F194 WeakPolarHBondContact O-CD2 3.08Å; F194-L201 CarbonylContact O-C 3.6Å; F194-L201 WeakPolarHBondContact O-CA 3.38Å; F194-R202 HydrophobicContact CB-CB 4.4Å; F194-R202 PolarHBondContact N-O 2.93Å; F194-R202 PolarHBondContact O-N 3.2Å
195	I	98.3	Very high	96.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.3	-176.3	-49.6	-60.1	0	0	0	109.5	C144 R146 K147 I152 Y167 M199 E200 L201	C144-I195 CarbonylContact C-O 3.5Å; C144-I195 WeakPolarHBondContact CB-O 3.3Å; R146-I195 WeakPolarHBondContact CA-O 3.36Å; R146-I195 HydrophobicContact CB-CB 3.94Å; R146-I195 HydrophobicContact CB-CG2 3.91Å; R146-I195 WeakPolarHBondContact CB-O 3.27Å; R146-I195 PolarHBondContact N-O 3.3Å; K147-I195 PolarHBondContact O-N 3.33Å; I152-I195 HydrophobicContact CD1-CG1 3.97Å; Y167-I195 HydrophobicContact CD1-CD1 4.22Å; Y167-I195 HydrophobicContact CE1-CD1 3.79Å; I195-M199 HydrophobicContact CG2-SD 4.24Å; I195-E200 WeakPolarHBondContact CA-O 3.34Å; I195-L201 HydrophobicContact CD1-CB 4.02Å; I195-L201 HydrophobicContact CD1-CD1 4.19Å; I195-L201 HydrophobicContact CD1-CG 4.13Å
196	N	95.6	Very high	95.9	Very high	13 Å²	13	25.7 Å²	25.7	7%	0.07	13%	0.129	C	C	.	.			trans	-84.2	176.6	178.7	76.4	12	0	0	0	112.4	R146 N198 M199 E200 R202	R146-N196 VanDerWaalsContact CD-O 3.22Å; R146-N196 WeakPolarHBondContact CD-O 3.5Å; R146-N196 WeakPolarHBondContact CG-O 3.28Å; R146-N196 PolarHBondContact NE-O 2.87Å; N196-N198 PolarHBondContact O-N 3.2Å; N196-N198 VanDerWaalsContact O-N 3.08Å; N196-N198 WeakPolarHBondContact OD1-CA 3.39Å; N196-N198 WeakPolarHBondContact OD1-CB 3.2Å; N196-N198 PolarHBondContact OD1-N 2.92Å; N196-M199 PolarHBondContact O-N 3.11Å; N196-M199 PolarHBondContact OD1-N 3.43Å; N196-E200 PolarHBondContact N-O 3.45Å; N196-E200 PolarHBondContact ND2-OE2 2.88Å; N196-E200 WeakPolarHBondContact OD1-CB 3.47Å; N196-E200 PolarHBondContact OD1-N 3.25Å; N196-E200 PolarHBondContact OD1-O 2.95Å; N196-R202 PolarHBondContact ND2-NH2 3.44Å
197	E	94.4	Very high	95.5	Very high	125 Å²	125	26.1 Å²	26.1	58%	0.584	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-27.9	-179.5	68.9	-168.8	177.4	0	0	114	S145 R146 M199	S145-E197 PolarHBondContact OG-N 2.94Å; R146-E197 VanDerWaalsContact CZ-O 3.26Å; R146-E197 PolarHBondContact NE-O 2.83Å; R146-E197 PolarHBondContact NH2-O 3.11Å; E197-M199 VanDerWaalsContact C-N 3.31Å; E197-M199 PolarHBondContact O-N 3.48Å
198	N	95.1	Very high	95.1	Very high	83 Å²	83	28.9 Å²	28.9	44%	0.444	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	12.1	-177.6	-68.3	-62.4	0	0	0	113.4	N196 E200	N196-N198 PolarHBondContact O-N 3.2Å; N196-N198 VanDerWaalsContact O-N 3.08Å; N196-N198 WeakPolarHBondContact OD1-CA 3.39Å; N196-N198 WeakPolarHBondContact OD1-CB 3.2Å; N196-N198 PolarHBondContact OD1-N 2.92Å; N198-E200 HydrophobicContact CB-CG 4.14Å; N198-E200 PolarHBondContact O-N 3.35Å
199	M	95.8	Very high	94.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.164	C	C	.	.	S	Bend	trans	63.1	15.3	-173.9	-63.2	-67.9	-69.2	0	0	114.1	R146 Y166 Y167 I195 N196 E197 L325 C330	R146-M199 WeakPolarHBondContact CD-SD 3.47Å; Y166-M199 WeakPolarHBondContact CE1-O 3.46Å; Y166-M199 PolarHBondContact OH-O 3.07Å; Y166-M199 VanDerWaalsContact OH-O 3.1Å; Y167-M199 VanDerWaalsContact OH-CE 3.28Å; Y167-M199 WeakPolarHBondContact OH-CE 3.34Å; I195-M199 HydrophobicContact CG2-SD 4.24Å; N196-M199 PolarHBondContact O-N 3.11Å; N196-M199 PolarHBondContact OD1-N 3.43Å; E197-M199 VanDerWaalsContact C-N 3.31Å; E197-M199 PolarHBondContact O-N 3.48Å; M199-L325 HydrophobicContact CB-CB 4.33Å; M199-L325 HydrophobicContact CE-CB 4.04Å; M199-L325 WeakPolarHBondContact CG-O 3.43Å; M199-C330 VanDerWaalsContact SD-SG 3.64Å
200	E	98	Very high	94.6	Very high	42 Å²	42	28.1 Å²	28.1	20%	0.196	16%	0.158	C	C	.	.			trans	-83	139.5	173.8	-49.5	-172.7	144.6	0	0	111	K122 I195 N196 N198 R202	K122-E200 WeakPolarHBondContact CE-OE1 3.34Å; K122-E200 WeakPolarHBondContact CE-OE2 3.43Å; K122-E200 IonicContact NZ-OE1 2.64Å; K122-E200 PolarHBondContact NZ-OE1 3.03Å; K122-E200 IonicContact NZ-OE2 3.54Å; I195-E200 WeakPolarHBondContact CA-O 3.34Å; N196-E200 PolarHBondContact N-O 3.45Å; N196-E200 PolarHBondContact ND2-OE2 2.88Å; N196-E200 WeakPolarHBondContact OD1-CB 3.47Å; N196-E200 PolarHBondContact OD1-N 3.25Å; N196-E200 PolarHBondContact OD1-O 2.95Å; N198-E200 HydrophobicContact CB-CG 4.14Å; N198-E200 PolarHBondContact O-N 3.35Å; E200-R202 IonicContact OE2-CZ 3.45Å; E200-R202 IonicContact OE2-NH1 2.63Å; E200-R202 PolarHBondContact OE2-NH1 2.89Å; E200-R202 IonicContact OE2-NH2 2.71Å
201	L	98.5	Very high	94.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	152.6	175.7	-172.4	145.3	0	0	0	111.2	H123 L149 Y167 Q170 I171 F193 F194 I195 L203	H123-L201 VanDerWaalsContact CA-O 3.23Å; H123-L201 WeakPolarHBondContact CA-O 3.46Å; H123-L201 PolarHBondContact ND1-O 3.22Å; L149-L201 HydrophobicContact CD2-CD1 4.47Å; Y167-L201 HydrophobicContact CD1-CB 4.39Å; Y167-L201 HydrophobicContact CD1-CD1 3.96Å; Y167-L201 HydrophobicContact CG-CD1 4.46Å; Q170-L201 HydrophobicContact CB-CB 3.96Å; Q170-L201 HydrophobicContact CB-CD2 4.42Å; I171-L201 HydrophobicContact CD1-CD1 3.85Å; I171-L201 HydrophobicContact CG1-CD1 3.51Å; I171-L201 HydrophobicContact CG1-CD2 3.68Å; I171-L201 HydrophobicContact CG1-CG 4.27Å; F193-L201 HydrophobicContact CB-CD1 3.9Å; F193-L201 HydrophobicContact CB-CG 4.19Å; F193-L201 HydrophobicContact CG-CD1 4.38Å; F194-L201 CarbonylContact O-C 3.6Å; F194-L201 WeakPolarHBondContact O-CA 3.38Å; I195-L201 HydrophobicContact CD1-CB 4.02Å; I195-L201 HydrophobicContact CD1-CD1 4.19Å; I195-L201 HydrophobicContact CD1-CG 4.13Å; L201-L203 HydrophobicContact CD2-CD2 4.04Å; L201-L203 HydrophobicContact CD2-CG 4.47Å
202	R	98.4	Very high	93.9	Very high	29 Å²	29	37.6 Å²	37.6	11%	0.109	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	121.4	172.3	-62.8	-65.4	-162.6	-102.3	-2.9	109.9	V125 E142 F194 N196 E200	V125-R202 HydrophobicContact CB-CB 4.49Å; V125-R202 HydrophobicContact CG2-CB 3.61Å; E142-R202 VanDerWaalsContact CD-NE 3.34Å; E142-R202 IonicContact OE1-CZ 2.66Å; E142-R202 VanDerWaalsContact OE1-CZ 3.26Å; E142-R202 IonicContact OE1-NE 2.84Å; E142-R202 PolarHBondContact OE1-NE 2.79Å; E142-R202 IonicContact OE1-NH2 3.7Å; E142-R202 PolarHBondContact OE1-NH2 2.8Å; E142-R202 IonicContact OE2-NE 2.74Å; E142-R202 PolarHBondContact OE2-NE 2.93Å; E142-R202 VanDerWaalsContact OE2-NE 3.07Å; F194-R202 HydrophobicContact CB-CB 4.4Å; F194-R202 PolarHBondContact N-O 2.93Å; F194-R202 PolarHBondContact O-N 3.2Å; N196-R202 PolarHBondContact ND2-NH2 3.44Å; E200-R202 IonicContact OE2-CZ 3.45Å; E200-R202 IonicContact OE2-NH1 2.63Å; E200-R202 PolarHBondContact OE2-NH1 2.89Å; E200-R202 IonicContact OE2-NH2 2.71Å
203	L	98.3	Very high	93.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	131.4	170.3	-61	-177	0	0	0	110.4	H123 V124 V125 I171 L175 L178 F193 L201	H123-L203 WeakPolarHBondContact O-CG 3.49Å; H123-L203 PolarHBondContact O-N 2.87Å; V124-L203 CarbonylContact C-O 3.46Å; V124-L203 WeakPolarHBondContact CA-O 3.22Å; V124-L203 HydrophobicContact CG2-CB 4.45Å; V125-L203 WeakPolarHBondContact CG2-O 3.41Å; V125-L203 PolarHBondContact N-O 2.85Å; I171-L203 HydrophobicContact CG1-CD2 4.45Å; I171-L203 HydrophobicContact CG2-CD2 4.21Å; L175-L203 HydrophobicContact CD2-CD1 4.19Å; L175-L203 HydrophobicContact CG-CD1 4.16Å; L178-L203 HydrophobicContact CD1-CD1 4.19Å; F193-L203 HydrophobicContact CD1-CD2 3.42Å; F193-L203 VanDerWaalsContact CD1-CD2 3.42Å; F193-L203 HydrophobicContact CE1-CD2 3.5Å; L201-L203 HydrophobicContact CD2-CD2 4.04Å; L201-L203 HydrophobicContact CD2-CG 4.47Å
204	G	94.6	Very high	92.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.			trans	-150.1	-176.8	177.6	0	0	0	0	0	113.8	H185 N192	H185-G204 PolarHBondContact NE2-O 3.27Å; N192-G204 WeakPolarHBondContact CB-O 3.43Å; N192-G204 PolarHBondContact O-N 2.77Å
205	D	88.9	Confident	91.4	Very high	60 Å²	60	44.9 Å²	44.9	32%	0.321	24%	0.241	S	C	.	.			trans	61.8	77.3	-169.5	-162	16.6	0	0	0	114	K93 G207	K93-D205 IonicContact NZ-OD1 3.26Å; D205-G207 PolarHBondContact O-N 3.46Å
206	F	92.1	Very high	90.1	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	27%	0.273	C	S	.	.			trans	-83.5	12.7	179.2	-69	-87.2	0	0	0	113.6	E112 L115 H116 L119 V124 L178 H185 L208 A209	E112-F206 HydrophobicContact CG-CB 4.46Å; L115-F206 HydrophobicContact CD2-CB 4.26Å; L115-F206 HydrophobicContact CD2-CD1 3.83Å; L115-F206 HydrophobicContact CD2-CG 4.24Å; H116-F206 HydrophobicContact CB-CB 4.42Å; H116-F206 HydrophobicContact CB-CD2 4.21Å; H116-F206 HydrophobicContact CB-CG 4.44Å; H116-F206 AromaticContact CD2-CD2 3.6Å; H116-F206 AromaticContact CD2-CE2 3.66Å; H116-F206 AromaticContact CE1-CD2 3.69Å; H116-F206 AromaticContact CE1-CE2 3.94Å; H116-F206 AromaticContact CG-CD2 3.57Å; H116-F206 AromaticContact ND1-CD2 3.63Å; H116-F206 AromaticContact NE2-CD2 3.69Å; H116-F206 AromaticContact NE2-CE2 3.55Å; L119-F206 HydrophobicContact CD1-CD1 4Å; L119-F206 HydrophobicContact CD1-CD2 4.45Å; L119-F206 HydrophobicContact CD1-CE1 3.49Å; L119-F206 VanDerWaalsContact CD1-CE1 3.49Å; L119-F206 HydrophobicContact CD1-CE2 3.99Å; L119-F206 HydrophobicContact CD1-CG 4.47Å; L119-F206 HydrophobicContact CD1-CZ 3.5Å; L119-F206 VanDerWaalsContact CD1-CZ 3.5Å; V124-F206 HydrophobicContact CG1-CE2 4.05Å; V124-F206 HydrophobicContact CG1-CZ 3.8Å; L178-F206 HydrophobicContact CD1-CE1 3.86Å; L178-F206 HydrophobicContact CD1-CZ 4.34Å; L178-F206 HydrophobicContact CD2-CE1 3.8Å; L178-F206 HydrophobicContact CD2-CZ 4.25Å; H185-F206 AromaticContact CD2-CE1 3.98Å; F206-L208 PolarHBondContact O-N 2.63Å; F206-A209 HydrophobicContact CB-CB 3.97Å; F206-A209 HydrophobicContact CD1-CB 3.82Å; F206-A209 HydrophobicContact CG-CB 4.41Å; F206-A209 VanDerWaalsContact O-CB 3.24Å; F206-A209 WeakPolarHBondContact O-CB 3.45Å; F206-A209 PolarHBondContact O-N 2.93Å
207	G	86.3	Confident	89.2	Confident	37 Å²	37	57.4 Å²	57.4	38%	0.381	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-13.8	-173.9	0	0	0	0	0	116.2	E112 D205	E112-G207 WeakPolarHBondContact OE2-CA 3.36Å; D205-G207 PolarHBondContact O-N 3.46Å
208	L	86.6	Confident	88.5	Confident	69 Å²	69	53.6 Å²	53.6	36%	0.361	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	0.1	171	-64.6	-176.7	0	0	0	113.6	R186 D187 F206 C223	R186-L208 PolarHBondContact NH1-O 3.24Å; D187-L208 HydrophobicContact CB-CB 4.38Å; D187-L208 HydrophobicContact CB-CD1 3.99Å; F206-L208 PolarHBondContact O-N 2.63Å; L208-C223 HydrophobicContact CD1-CB 4.2Å; L208-C223 HydrophobicContact CD2-CB 4.4Å
209	A	91.8	Very high	87.6	Confident	20 Å²	20	54.2 Å²	54.2	17%	0.165	28%	0.278	C	S	.	.			trans	-65.3	150.9	-178.4	0	0	0	0	0	111.2	L115 L184 F206	L115-A209 HydrophobicContact CD1-CB 4.12Å; L115-A209 HydrophobicContact CD2-CB 4.2Å; L184-A209 VanDerWaalsContact O-CA 3.24Å; L184-A209 WeakPolarHBondContact O-CA 3.45Å; L184-A209 WeakPolarHBondContact O-CB 3.49Å; F206-A209 HydrophobicContact CB-CB 3.97Å; F206-A209 HydrophobicContact CD1-CB 3.82Å; F206-A209 HydrophobicContact CG-CB 4.41Å; F206-A209 VanDerWaalsContact O-CB 3.24Å; F206-A209 WeakPolarHBondContact O-CB 3.45Å; F206-A209 PolarHBondContact O-N 2.93Å
210	A	90	Very high	87	Confident	9 Å²	9	60.2 Å²	60.2	7%	0.074	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	156.6	-179.4	0	0	0	0	0	110.4	I183 L184	I183-A210 WeakPolarHBondContact CA-O 3.48Å; L184-A210 PolarHBondContact N-O 3.16Å; L184-A210 PolarHBondContact O-N 3.07Å; L184-A210 VanDerWaalsContact O-N 3.12Å
211	K	90.1	Very high	86.3	Confident	159 Å²	159	62.7 Å²	62.7	69%	0.691	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	145.9	162.8	-65.2	-173.7	-177.8	179.7	0	109.5	G182	G182-K211 CarbonylContact O-C 3.57Å; G182-K211 VanDerWaalsContact O-CA 3.24Å; G182-K211 WeakPolarHBondContact O-CA 3.3Å
212	L	86.9	Confident	85.7	Confident	71 Å²	71	65.5 Å²	65.5	37%	0.372	34%	0.337	S	S	.	.			trans	-68.3	129.8	172.5	-179.7	62.8	0	0	0	108.8	G182 L184 T241	G182-L212 PolarHBondContact O-N 3.5Å; L184-L212 HydrophobicContact CD1-CD1 3.93Å; L184-L212 HydrophobicContact CD2-CD1 4.21Å; L184-L212 HydrophobicContact CG-CB 4.48Å; L184-L212 HydrophobicContact CG-CD1 4.19Å; L212-T241 HydrophobicContact CD2-CG2 4.46Å
213	E	84.6	Confident	85	Confident	57 Å²	57	65.2 Å²	65.2	27%	0.266	34%	0.339	S	S	.	.			trans	-111.2	160.1	-179.3	-72.1	160.8	168.7	0	0	109.2	Q217 K219	E213-Q217 HydrophobicContact CB-CB 3.91Å; E213-K219 WeakPolarHBondContact OE1-CE 3.25Å; E213-K219 IonicContact OE1-NZ 2.96Å; E213-K219 PolarHBondContact OE1-NZ 2.67Å; E213-K219 WeakPolarHBondContact OE2-CE 3.28Å; E213-K219 WeakPolarHBondContact OE2-CG 3.35Å; E213-K219 PolarHBondContact OE2-N 3.33Å
214	T	79.6	Confident	84.3	Confident	71 Å²	71	66.2 Å²	66.2	44%	0.436	35%	0.349	S	S	.	.			trans	-62.1	158.9	172.5	78.3	0	0	0	0	110.1	E216 Q217 R218	T214-E216 WeakPolarHBondContact CB-OE2 3.37Å; T214-E216 PolarHBondContact O-N 3.39Å; T214-E216 VanDerWaalsContact O-N 3.1Å; T214-E216 PolarHBondContact OG1-OE2 3.05Å; T214-Q217 CarbonylContact O-C 3.58Å; T214-Q217 WeakPolarHBondContact O-CA 3.4Å; T214-Q217 PolarHBondContact O-N 3.29Å; T214-Q217 WeakPolarHBondContact OG1-CG 3.41Å; T214-R218 WeakPolarHBondContact O-CG 3.31Å; T214-R218 PolarHBondContact O-N 2.79Å
215	V	75.1	Confident	83.9	Confident	94 Å²	94	68.1 Å²	68.1	57%	0.57	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.9	-172.4	179.3	0	0	0	0	112.2
216	E	71.9	Confident	83.7	Confident	146 Å²	146	67.2 Å²	67.2	68%	0.682	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-34.7	178.3	-50.4	67.8	-140.2	0	0	111.8	T214	T214-E216 WeakPolarHBondContact CB-OE2 3.37Å; T214-E216 PolarHBondContact O-N 3.39Å; T214-E216 VanDerWaalsContact O-N 3.1Å; T214-E216 PolarHBondContact OG1-OE2 3.05Å
217	Q	76.9	Confident	83.5	Confident	131 Å²	131	68.4 Å²	68.4	61%	0.612	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-22.6	-176.3	-67.9	177.9	-9.4	0	0	113.4	E213 T214 K219	E213-Q217 HydrophobicContact CB-CB 3.91Å; T214-Q217 CarbonylContact O-C 3.58Å; T214-Q217 WeakPolarHBondContact O-CA 3.4Å; T214-Q217 PolarHBondContact O-N 3.29Å; T214-Q217 WeakPolarHBondContact OG1-CG 3.41Å; Q217-K219 PolarHBondContact O-N 3.31Å
218	R	80.1	Confident	83.9	Confident	44 Å²	44	67.9 Å²	67.9	17%	0.166	35%	0.351	C	S	.	.	S	Bend	trans	-44.3	120.2	-176.4	-79.2	178.8	-178.1	-163.6	-4.7	112.6	T214 K220 H239 E242	T214-R218 WeakPolarHBondContact O-CG 3.31Å; T214-R218 PolarHBondContact O-N 2.79Å; R218-K220 WeakPolarHBondContact O-CG 3.35Å; R218-K220 PolarHBondContact O-N 2.64Å; R218-H239 WeakPolarHBondContact CD-O 3.11Å; R218-E242 IonicContact NH1-OE2 3.47Å; R218-E242 IonicContact NH2-OE2 2.86Å
219	K	74.9	Confident	84.3	Confident	97 Å²	97	65 Å²	65	42%	0.422	34%	0.336	S	S	.	.			trans	-50.6	109.4	174.8	-73.1	168.8	-150.4	-179.6	0	113.1	E213 Q217 T221	E213-K219 WeakPolarHBondContact OE1-CE 3.25Å; E213-K219 IonicContact OE1-NZ 2.96Å; E213-K219 PolarHBondContact OE1-NZ 2.67Å; E213-K219 WeakPolarHBondContact OE2-CE 3.28Å; E213-K219 WeakPolarHBondContact OE2-CG 3.35Å; E213-K219 PolarHBondContact OE2-N 3.33Å; Q217-K219 PolarHBondContact O-N 3.31Å; K219-T221 PolarHBondContact O-N 2.92Å
220	K	83.3	Confident	84.6	Confident	127 Å²	127	64.1 Å²	64.1	55%	0.552	33%	0.329	S	S	*	.			trans	-78.2	8.6	178.5	-55.3	-177.4	-178.1	172.3	0	114.3	R218 R236	R218-K220 WeakPolarHBondContact O-CG 3.35Å; R218-K220 PolarHBondContact O-N 2.64Å; K220-R236 HydrophobicContact CB-CB 4.48Å; K220-R236 WeakPolarHBondContact CB-O 3.29Å; K220-R236 WeakPolarHBondContact CG-O 3.45Å
221	T	82.9	Confident	84.9	Confident	93 Å²	93	63.8 Å²	63.8	57%	0.571	33%	0.326	S	S	*	.			trans	-75.9	121.8	176.5	-48.9	0	0	0	0	110.2	K219 C223 H239	K219-T221 PolarHBondContact O-N 2.92Å; T221-C223 PolarHBondContact O-N 3.39Å; T221-H239 PolarHBondContact O-CE1 3.28Å
222	I	86.3	Confident	85.2	Confident	60 Å²	60	56.5 Å²	56.5	31%	0.308	30%	0.295	S	S	.	.			trans	-67.7	118	172.7	-54.1	178.8	0	0	0	108.3	L229 V233 L234 R236	I222-L229 HydrophobicContact CG2-CD1 4.03Å; I222-V233 HydrophobicContact CG2-CG1 4.32Å; I222-L234 HydrophobicContact CG2-CD2 4.23Å; I222-R236 HydrophobicContact CD1-CG 4.31Å; I222-R236 HydrophobicContact CG1-CG 4.38Å
223	C	84.1	Confident	85.6	Confident	23 Å²	23	53.2 Å²	53.2	16%	0.155	28%	0.277	C	S	.	.			trans	-152.5	156.8	174.1	70	0	0	0	0	110.6	R186 L208 T221 L229 H239	R186-C223 PolarHBondContact NH2-SG 2.89Å; L208-C223 HydrophobicContact CD1-CB 4.2Å; L208-C223 HydrophobicContact CD2-CB 4.4Å; T221-C223 PolarHBondContact O-N 3.39Å; C223-L229 VanDerWaalsContact O-CD2 3.26Å; C223-L229 WeakPolarHBondContact O-CD2 3.3Å; C223-H239 PolarHBondContact O-NE2 2.76Å
224	G	84.3	Confident	86	Confident	21 Å²	21	51 Å²	51	22%	0.216	27%	0.267	C	S	.	.	S	Bend	trans	116.4	171.6	-169.7	0	0	0	0	0	110.7
225	T	85.5	Confident	86.6	Confident	40 Å²	40	51 Å²	51	25%	0.245	27%	0.265	C	S	.	.			trans	-80.7	126.9	-179	-58.1	0	0	0	0	111.1	D187 K189 N227 Y228 L229	D187-T225 WeakPolarHBondContact OD1-CB 3.19Å; D187-T225 PolarHBondContact OD1-N 2.83Å; D187-T225 PolarHBondContact OD1-OG1 3.27Å; K189-T225 HydrophobicContact CD-CG2 4.29Å; K189-T225 WeakPolarHBondContact CD-OG1 3.38Å; K189-T225 PolarHBondContact NZ-OG1 3.2Å; T225-N227 PolarHBondContact O-N 3.48Å; T225-N227 VanDerWaalsContact O-N 3.16Å; T225-Y228 HydrophobicContact CG2-CD2 3.96Å; T225-Y228 HydrophobicContact CG2-CE2 4.22Å; T225-Y228 PolarHBondContact O-N 3.28Å; T225-L229 PolarHBondContact O-N 3.01Å
226	P	85.1	Confident	87.3	Confident	40 Å²	40	53.9 Å²	53.9	26%	0.26	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-45	-51	-167.8	-36.3	37.9	0	0	0	117.4	Y228 L229 L267 Y271 I274	P226-Y228 PolarHBondContact O-N 2.99Å; P226-L229 PolarHBondContact O-N 2.91Å; P226-L229 VanDerWaalsContact O-N 3.08Å; P226-L267 HydrophobicContact CB-CD1 3.6Å; P226-L267 HydrophobicContact CG-CD1 3.92Å; P226-Y271 HydrophobicContact CB-CE1 4.05Å; P226-I274 WeakPolarHBondContact O-CD1 3.42Å
227	N	88	Confident	88.2	Confident	28 Å²	28	52.5 Å²	52.5	15%	0.15	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-65.1	-6.8	-176.8	-66.4	-12.9	0	0	0	114.7	T225 P260 E263	T225-N227 PolarHBondContact O-N 3.48Å; T225-N227 VanDerWaalsContact O-N 3.16Å; N227-P260 HydrophobicContact CB-CB 3.83Å; N227-P260 HydrophobicContact CB-CG 4.14Å; N227-E263 PolarHBondContact ND2-OE1 3.26Å
228	Y	94.5	Very high	88.7	Confident	25 Å²	25	46.3 Å²	46.3	10%	0.098	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-118.3	-0.3	180	-53.6	-92.6	0	0	0	112.3	K189 T225 P226 S247 C250 V251	K189-Y228 HydrophobicContact CB-CD2 4.03Å; K189-Y228 HydrophobicContact CB-CE1 4.4Å; K189-Y228 HydrophobicContact CB-CE2 3.87Å; K189-Y228 HydrophobicContact CB-CG 4.38Å; T225-Y228 HydrophobicContact CG2-CD2 3.96Å; T225-Y228 HydrophobicContact CG2-CE2 4.22Å; T225-Y228 PolarHBondContact O-N 3.28Å; P226-Y228 PolarHBondContact O-N 2.99Å; Y228-S247 PolarHBondContact O-OG 2.88Å; Y228-C250 HydrophobicContact CD1-CB 3.66Å; Y228-C250 HydrophobicContact CE1-CB 4.25Å; Y228-C250 HydrophobicContact CG-CB 4.46Å; Y228-V251 HydrophobicContact CD1-CG2 4.02Å; Y228-V251 HydrophobicContact CE1-CG2 3.78Å
229	L	95.4	Very high	89	Confident	8 Å²	8	44.8 Å²	44.8	4%	0.042	23%	0.225	C	C	.	.			trans	-68.6	138.9	179.6	-67.2	178.9	0	0	0	111.3	I222 C223 T225 P226 V233 L234 W246 Y271 I274	I222-L229 HydrophobicContact CG2-CD1 4.03Å; C223-L229 VanDerWaalsContact O-CD2 3.26Å; C223-L229 WeakPolarHBondContact O-CD2 3.3Å; T225-L229 PolarHBondContact O-N 3.01Å; P226-L229 PolarHBondContact O-N 2.91Å; P226-L229 VanDerWaalsContact O-N 3.08Å; L229-V233 HydrophobicContact CD2-CG1 4.29Å; L229-L234 HydrophobicContact CB-CD2 4.13Å; L229-L234 HydrophobicContact CB-CG 4.24Å; L229-L234 HydrophobicContact CD1-CD2 3.67Å; L229-W246 PolarHBondContact O-NE1 3.34Å; L229-Y271 HydrophobicContact CD1-CE1 4.09Å; L229-I274 VanDerWaalsContact O-CG2 3.29Å; L229-I274 WeakPolarHBondContact O-CG2 3.16Å
230	A	97	Very high	89.9	Confident	2 Å²	2	40.1 Å²	40.1	2%	0.017	21%	0.205	C	C	.	.			trans	-85.5	152.5	178.9	0	0	0	0	0	112.4	E232 V233 L234 W246	A230-E232 VanDerWaalsContact C-N 3.32Å; A230-E232 VanDerWaalsContact CB-CD 3.42Å; A230-E232 WeakPolarHBondContact CB-OE1 3.27Å; A230-E232 VanDerWaalsContact CB-OE2 3.31Å; A230-E232 WeakPolarHBondContact CB-OE2 3.17Å; A230-E232 PolarHBondContact O-N 3.45Å; A230-V233 HydrophobicContact CB-CG2 4.25Å; A230-V233 WeakPolarHBondContact O-CB 3.43Å; A230-V233 PolarHBondContact O-N 2.91Å; A230-V233 VanDerWaalsContact O-N 3.09Å; A230-L234 PolarHBondContact O-N 3.37Å; A230-L234 VanDerWaalsContact O-N 3.15Å; A230-W246 VanDerWaalsContact CA-CD1 3.45Å; A230-W246 HydrophobicContact CB-CB 3.81Å; A230-W246 HydrophobicContact CB-CD2 4.25Å; A230-W246 HydrophobicContact CB-CG 3.62Å
231	P	97.1	Very high	90.5	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.013	19%	0.189	C	C	.	.	H	α-helix	trans	-54.6	-43.2	-178.6	-25.9	33.5	0	0	0	113.6	V233 L234 N235 W246 I274 V277	P231-V233 VanDerWaalsContact C-N 3.3Å; P231-V233 PolarHBondContact O-N 3.14Å; P231-L234 PolarHBondContact O-N 2.8Å; P231-N235 WeakPolarHBondContact O-CB 3.45Å; P231-N235 PolarHBondContact O-N 3.3Å; P231-N235 PolarHBondContact O-ND2 3.06Å; P231-W246 HydrophobicContact CG-CE3 4.35Å; P231-W246 HydrophobicContact CG-CH2 3.67Å; P231-W246 HydrophobicContact CG-CZ2 3.98Å; P231-W246 HydrophobicContact CG-CZ3 3.88Å; P231-I274 HydrophobicContact CG-CG2 4.11Å; P231-V277 HydrophobicContact CG-CG2 4.25Å
232	E	95.5	Very high	91.1	Very high	7 Å²	7	34 Å²	34	3%	0.033	17%	0.174	C	C	.	.	H	α-helix	trans	-62.9	-34.9	179.2	69.3	-80.2	-170.5	0	0	112.5	A230 N235 R236 Q237 S243 P301 R304	A230-E232 VanDerWaalsContact C-N 3.32Å; A230-E232 VanDerWaalsContact CB-CD 3.42Å; A230-E232 WeakPolarHBondContact CB-OE1 3.27Å; A230-E232 VanDerWaalsContact CB-OE2 3.31Å; A230-E232 WeakPolarHBondContact CB-OE2 3.17Å; A230-E232 PolarHBondContact O-N 3.45Å; E232-N235 CarbonylContact O-C 3.55Å; E232-N235 PolarHBondContact O-N 3.41Å; E232-R236 PolarHBondContact O-N 3.14Å; E232-R236 VanDerWaalsContact O-N 3.13Å; E232-Q237 HydrophobicContact CB-CB 4.13Å; E232-Q237 VanDerWaalsContact CB-OE1 3.25Å; E232-Q237 WeakPolarHBondContact O-CB 3.39Å; E232-Q237 PolarHBondContact O-N 3.02Å; E232-S243 WeakPolarHBondContact OE1-CA 3.43Å; E232-S243 WeakPolarHBondContact OE1-CB 3.49Å; E232-S243 PolarHBondContact OE1-OG 3.19Å; E232-P301 HydrophobicContact CB-CG 3.96Å; E232-P301 HydrophobicContact CG-CG 3.89Å; E232-R304 IonicContact OE1-CZ 3.05Å; E232-R304 IonicContact OE1-NH1 2.67Å; E232-R304 PolarHBondContact OE1-NH1 3.4Å; E232-R304 IonicContact OE1-NH2 3.4Å; E232-R304 IonicContact OE2-CZ 2.64Å; E232-R304 IonicContact OE2-NH1 2.63Å; E232-R304 PolarHBondContact OE2-NH1 3.08Å; E232-R304 IonicContact OE2-NH2 3.84Å; E232-R304 PolarHBondContact OE2-NH2 3.08Å
233	V	94.6	Very high	91.6	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.012	16%	0.161	C	C	.	.	H	α-helix	trans	-67.9	-47.3	175.6	176.1	0	0	0	0	110	I222 L229 A230 P231 N235 R236 H239	I222-V233 HydrophobicContact CG2-CG1 4.32Å; L229-V233 HydrophobicContact CD2-CG1 4.29Å; A230-V233 HydrophobicContact CB-CG2 4.25Å; A230-V233 WeakPolarHBondContact O-CB 3.43Å; A230-V233 PolarHBondContact O-N 2.91Å; A230-V233 VanDerWaalsContact O-N 3.09Å; P231-V233 VanDerWaalsContact C-N 3.3Å; P231-V233 PolarHBondContact O-N 3.14Å; V233-N235 PolarHBondContact O-N 3.26Å; V233-R236 PolarHBondContact O-N 3.01Å; V233-H239 VanDerWaalsContact CG1-CE1 3.43Å; V233-H239 WeakPolarHBondContact CG1-CE1 3.42Å; V233-H239 WeakPolarHBondContact CG1-NE2 3.46Å
234	L	94.1	Very high	92.3	Very high	11 Å²	11	30.2 Å²	30.2	6%	0.058	15%	0.153	C	C	.	.	H	α-helix	trans	-66.8	-19.2	175.7	-63.1	-177.7	0	0	0	113.3	I222 L229 A230 P231 Y271 I274 K275	I222-L234 HydrophobicContact CG2-CD2 4.23Å; L229-L234 HydrophobicContact CB-CD2 4.13Å; L229-L234 HydrophobicContact CB-CG 4.24Å; L229-L234 HydrophobicContact CD1-CD2 3.67Å; A230-L234 PolarHBondContact O-N 3.37Å; A230-L234 VanDerWaalsContact O-N 3.15Å; P231-L234 PolarHBondContact O-N 2.8Å; L234-Y271 HydrophobicContact CD1-CD1 3.76Å; L234-Y271 HydrophobicContact CD1-CG 4.11Å; L234-Y271 HydrophobicContact CD2-CD1 3.79Å; L234-Y271 HydrophobicContact CD2-CE1 3.89Å; L234-Y271 HydrophobicContact CD2-CG 4.22Å; L234-Y271 HydrophobicContact CG-CD1 4.47Å; L234-I274 HydrophobicContact CD1-CB 3.78Å; L234-I274 HydrophobicContact CD1-CD1 4.04Å; L234-I274 HydrophobicContact CD1-CG2 3.51Å; L234-I274 HydrophobicContact CG-CG2 4.48Å; L234-K275 VanDerWaalsContact CB-CE 3.5Å; L234-K275 HydrophobicContact CB-CG 4.3Å; L234-K275 HydrophobicContact CD1-CG 4.38Å; L234-K275 WeakPolarHBondContact O-CE 3.3Å; L234-K275 PolarHBondContact O-NZ 3Å
235	N	92.6	Very high	93	Very high	70 Å²	70	29.6 Å²	29.6	37%	0.374	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	7.1	173	-67.1	-24.4	0	0	0	113.1	P231 E232 V233 Q237 K275	P231-N235 WeakPolarHBondContact O-CB 3.45Å; P231-N235 PolarHBondContact O-N 3.3Å; P231-N235 PolarHBondContact O-ND2 3.06Å; E232-N235 CarbonylContact O-C 3.55Å; E232-N235 PolarHBondContact O-N 3.41Å; V233-N235 PolarHBondContact O-N 3.26Å; N235-Q237 HydrophobicContact CB-CG 4.3Å; N235-Q237 PolarHBondContact O-N 2.93Å; N235-K275 WeakPolarHBondContact OD1-CD 3.31Å; N235-K275 WeakPolarHBondContact OD1-CE 3.48Å; N235-K275 PolarHBondContact OD1-NZ 3.49Å
236	R	90.3	Very high	93.6	Very high	155 Å²	155	27.7 Å²	27.7	59%	0.585	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	26.6	177.4	-55.8	179.1	176.7	-85.1	5.6	114.4	K220 I222 E232 V233 G238	K220-R236 HydrophobicContact CB-CB 4.48Å; K220-R236 WeakPolarHBondContact CB-O 3.29Å; K220-R236 WeakPolarHBondContact CG-O 3.45Å; I222-R236 HydrophobicContact CD1-CG 4.31Å; I222-R236 HydrophobicContact CG1-CG 4.38Å; E232-R236 PolarHBondContact O-N 3.14Å; E232-R236 VanDerWaalsContact O-N 3.13Å; V233-R236 PolarHBondContact O-N 3.01Å; R236-G238 PolarHBondContact O-N 2.85Å
237	Q	89.2	Confident	94.2	Very high	116 Å²	116	26.2 Å²	26.2	54%	0.542	12%	0.124	S	C	.	.	S	Bend	trans	-80.2	-4.5	173.7	-63.7	170.2	-19.8	0	0	112.2	E232 N235	E232-Q237 HydrophobicContact CB-CB 4.13Å; E232-Q237 VanDerWaalsContact CB-OE1 3.25Å; E232-Q237 WeakPolarHBondContact O-CB 3.39Å; E232-Q237 PolarHBondContact O-N 3.02Å; N235-Q237 HydrophobicContact CB-CG 4.3Å; N235-Q237 PolarHBondContact O-N 2.93Å
238	G	87.2	Confident	94.7	Very high	2 Å²	2	25 Å²	25	2%	0.021	12%	0.118	C	C	.	.			trans	92.9	173	-179.2	0	0	0	0	0	112.8	R236	R236-G238 PolarHBondContact O-N 2.85Å
239	H	87.9	Confident	94.9	Very high	11 Å²	11	23.9 Å²	23.9	5%	0.051	11%	0.113	C	C	.	.			trans	-94.9	138.2	175.3	-63.8	75.5	0	0	0	110.4	L184 R186 R218 T221 C223 V233	L184-H239 HydrophobicContact CD1-CB 4.18Å; L184-H239 WeakPolarHBondContact CD1-O 3.43Å; R186-H239 HydrophobicContact CG-CB 4.17Å; R186-H239 PolarHBondContact NE-ND1 3.28Å; R186-H239 PolarHBondContact NH2-CE1 3.12Å; R186-H239 PolarHBondContact NH2-ND1 3.05Å; R218-H239 WeakPolarHBondContact CD-O 3.11Å; T221-H239 PolarHBondContact O-CE1 3.28Å; C223-H239 PolarHBondContact O-NE2 2.76Å; V233-H239 VanDerWaalsContact CG1-CE1 3.43Å; V233-H239 WeakPolarHBondContact CG1-CE1 3.42Å; V233-H239 WeakPolarHBondContact CG1-NE2 3.46Å
240	G	92.4	Very high	95.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.111	C	C	.	.			trans	-126	-176.5	168.7	0	0	0	0	0	112.1	E242 S243	G240-E242 VanDerWaalsContact CA-OE2 3.26Å; G240-E242 WeakPolarHBondContact CA-OE2 3.4Å; G240-E242 PolarHBondContact O-N 3.5Å; G240-S243 PolarHBondContact N-OG 3.36Å; G240-S243 VanDerWaalsContact N-OG 3.12Å; G240-S243 WeakPolarHBondContact O-CB 3.47Å; G240-S243 PolarHBondContact O-N 2.66Å; G240-S243 VanDerWaalsContact O-N 3.13Å
241	T	95.9	Very high	95.2	Very high	35 Å²	35	23.4 Å²	23.4	22%	0.215	11%	0.11	C	C	.	.	H	α-helix	trans	-62.1	-29.6	172.7	43.2	0	0	0	0	111	H179 L184 L212 S243 D244 V245	H179-T241 HydrophobicContact CB-CG2 4.07Å; H179-T241 PolarHBondContact CE1-O 2.97Å; L184-T241 HydrophobicContact CD2-CG2 3.61Å; L212-T241 HydrophobicContact CD2-CG2 4.46Å; T241-S243 VanDerWaalsContact C-N 3.27Å; T241-S243 PolarHBondContact O-N 2.69Å; T241-D244 PolarHBondContact O-N 2.89Å; T241-V245 PolarHBondContact O-N 3.12Å; T241-V245 VanDerWaalsContact O-N 3.11Å
242	E	96.9	Very high	95.2	Very high	55 Å²	55	23.3 Å²	23.3	26%	0.257	11%	0.11	S	C	.	.	H	α-helix	trans	-66.4	-27.2	176.5	-48.5	80.7	-174.6	0	0	112.3	R218 G240 V245 W246 P301 R304	R218-E242 IonicContact NH1-OE2 3.47Å; R218-E242 IonicContact NH2-OE2 2.86Å; G240-E242 VanDerWaalsContact CA-OE2 3.26Å; G240-E242 WeakPolarHBondContact CA-OE2 3.4Å; G240-E242 PolarHBondContact O-N 3.5Å; E242-V245 PolarHBondContact O-N 2.71Å; E242-W246 PolarHBondContact O-N 2.96Å; E242-P301 HydrophobicContact CB-CB 3.66Å; E242-P301 HydrophobicContact CG-CB 3.94Å; E242-R304 PolarHBondContact O-NH1 3.49Å
243	S	96.6	Very high	95.4	Very high	4 Å²	4	24 Å²	24	3%	0.028	11%	0.112	C	C	.	.	H	α-helix	trans	-75.9	-35	177.2	-46.9	0	0	0	0	111.7	E232 G240 T241 V245 W246 S247	E232-S243 WeakPolarHBondContact OE1-CA 3.43Å; E232-S243 WeakPolarHBondContact OE1-CB 3.49Å; E232-S243 PolarHBondContact OE1-OG 3.19Å; G240-S243 PolarHBondContact N-OG 3.36Å; G240-S243 VanDerWaalsContact N-OG 3.12Å; G240-S243 WeakPolarHBondContact O-CB 3.47Å; G240-S243 PolarHBondContact O-N 2.66Å; G240-S243 VanDerWaalsContact O-N 3.13Å; T241-S243 VanDerWaalsContact C-N 3.27Å; T241-S243 PolarHBondContact O-N 2.69Å; S243-V245 VanDerWaalsContact C-N 3.35Å; S243-W246 PolarHBondContact O-N 2.85Å; S243-S247 PolarHBondContact O-N 3.43Å; S243-S247 VanDerWaalsContact O-N 3.11Å; S243-S247 PolarHBondContact O-OG 2.96Å
244	D	97.9	Very high	95.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-66.3	-38.5	169	-81.8	-14.2	0	0	0	110.6	H179 H185 R186 L188 T241 S247 L248	H179-D244 IonicContact CD2-OD2 2.85Å; H179-D244 IonicContact CE1-OD2 3.38Å; H179-D244 IonicContact NE2-OD2 2.64Å; H179-D244 PolarHBondContact NE2-OD2 3.08Å; H185-D244 PolarHBondContact N-OD2 3Å; R186-D244 PolarHBondContact N-OD1 3.01Å; L188-D244 HydrophobicContact CD1-CB 3.6Å; L188-D244 WeakPolarHBondContact CD1-O 3.36Å; T241-D244 PolarHBondContact O-N 2.89Å; D244-S247 WeakPolarHBondContact O-CB 3.23Å; D244-S247 PolarHBondContact O-N 3.41Å; D244-L248 PolarHBondContact O-N 2.89Å
245	V	98.6	Very high	95.7	Very high	8 Å²	8	23.3 Å²	23.3	5%	0.048	11%	0.109	C	C	.	.	H	α-helix	trans	-63.3	-41.9	173.5	168	0	0	0	0	112.3	T241 E242 S243 S247 L248 G249 I296 R304 L305 L307 I310	T241-V245 PolarHBondContact O-N 3.12Å; T241-V245 VanDerWaalsContact O-N 3.11Å; E242-V245 PolarHBondContact O-N 2.71Å; S243-V245 VanDerWaalsContact C-N 3.35Å; V245-S247 VanDerWaalsContact C-N 3.31Å; V245-S247 PolarHBondContact O-N 3.22Å; V245-L248 WeakPolarHBondContact O-CB 3.46Å; V245-L248 PolarHBondContact O-N 3.35Å; V245-G249 PolarHBondContact O-N 3.37Å; V245-I296 HydrophobicContact CG1-CG2 3.94Å; V245-I296 WeakPolarHBondContact O-CG2 3.28Å; V245-R304 HydrophobicContact CG1-CB 4.21Å; V245-L305 WeakPolarHBondContact CG1-O 3.25Å; V245-L307 HydrophobicContact CG2-CD2 3.9Å; V245-L307 HydrophobicContact CG2-CG 4.19Å; V245-I310 HydrophobicContact CG1-CD1 4.09Å
246	W	98.7	Very high	95.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.3	-45.3	171.8	172.3	-86	0	0	0	111.8	L229 A230 P231 E242 S243 L248 G249 C250 F262 I274 V277 L297 Q298	L229-W246 PolarHBondContact O-NE1 3.34Å; A230-W246 VanDerWaalsContact CA-CD1 3.45Å; A230-W246 HydrophobicContact CB-CB 3.81Å; A230-W246 HydrophobicContact CB-CD2 4.25Å; A230-W246 HydrophobicContact CB-CG 3.62Å; P231-W246 HydrophobicContact CG-CE3 4.35Å; P231-W246 HydrophobicContact CG-CH2 3.67Å; P231-W246 HydrophobicContact CG-CZ2 3.98Å; P231-W246 HydrophobicContact CG-CZ3 3.88Å; E242-W246 PolarHBondContact O-N 2.96Å; S243-W246 PolarHBondContact O-N 2.85Å; W246-L248 VanDerWaalsContact C-N 3.27Å; W246-L248 PolarHBondContact O-N 3.24Å; W246-G249 WeakPolarHBondContact O-CA 3.26Å; W246-G249 PolarHBondContact O-N 3.44Å; W246-C250 PolarHBondContact O-N 3.43Å; W246-F262 AromaticContact CE2-CE2 3.97Å; W246-F262 HydrophobicContact CH2-CE1 4.42Å; W246-F262 AromaticContact CH2-CE2 3.86Å; W246-F262 HydrophobicContact CH2-CE2 3.86Å; W246-F262 AromaticContact CH2-CZ 3.52Å; W246-F262 HydrophobicContact CH2-CZ 3.52Å; W246-F262 HydrophobicContact CZ2-CD2 4.13Å; W246-F262 HydrophobicContact CZ2-CE1 4.4Å; W246-F262 AromaticContact CZ2-CE2 3.23Å; W246-F262 HydrophobicContact CZ2-CE2 3.23Å; W246-F262 AromaticContact CZ2-CZ 3.4Å; W246-F262 HydrophobicContact CZ2-CZ 3.4Å; W246-I274 HydrophobicContact CZ2-CG2 4.01Å; W246-V277 HydrophobicContact CH2-CB 4.49Å; W246-V277 HydrophobicContact CH2-CG1 4.02Å; W246-V277 HydrophobicContact CH2-CG2 3.96Å; W246-V277 HydrophobicContact CZ3-CG1 4.24Å; W246-V277 HydrophobicContact CZ3-CG2 4.26Å; W246-L297 HydrophobicContact CD2-CD2 3.75Å; W246-L297 HydrophobicContact CE3-CB 4.39Å; W246-L297 HydrophobicContact CE3-CD2 3.79Å; W246-L297 HydrophobicContact CG-CD2 4.28Å; W246-L297 HydrophobicContact CH2-CD2 4.39Å; W246-L297 HydrophobicContact CZ2-CD2 4.35Å; W246-L297 HydrophobicContact CZ3-CB 4.07Å; W246-L297 HydrophobicContact CZ3-CD2 4.12Å; W246-Q298 WeakPolarHBondContact CZ3-O 3.3Å
247	S	98.5	Very high	96.1	Very high	9 Å²	9	14.5 Å²	14.5	6%	0.063	8%	0.075	C	C	.	.	H	α-helix	trans	-62.2	-36.4	179.4	-52.8	0	0	0	0	111.5	Y228 S243 D244 V245 C250 V251	Y228-S247 PolarHBondContact O-OG 2.88Å; S243-S247 PolarHBondContact O-N 3.43Å; S243-S247 VanDerWaalsContact O-N 3.11Å; S243-S247 PolarHBondContact O-OG 2.96Å; D244-S247 WeakPolarHBondContact O-CB 3.23Å; D244-S247 PolarHBondContact O-N 3.41Å; V245-S247 VanDerWaalsContact C-N 3.31Å; V245-S247 PolarHBondContact O-N 3.22Å; S247-C250 PolarHBondContact O-N 3.05Å; S247-V251 VanDerWaalsContact O-CG2 3.3Å; S247-V251 WeakPolarHBondContact O-CG2 3.45Å; S247-V251 PolarHBondContact O-N 2.99Å
248	L	98.7	Very high	96.2	Very high	3 Å²	3	9.2 Å²	9.2	2%	0.016	5%	0.052	C	C	.	.	H	α-helix	trans	-62.3	-38.8	170.9	-177.8	68.8	0	0	0	112.5	L168 I171 I172 L175 D244 V245 W246 V251 M252 L307 I310	L168-L248 HydrophobicContact CD2-CD1 3.54Å; L168-L248 HydrophobicContact CD2-CG 4.29Å; I171-L248 HydrophobicContact CB-CD1 4.21Å; I171-L248 HydrophobicContact CG2-CD1 3.48Å; I171-L248 VanDerWaalsContact CG2-CD1 3.48Å; I172-L248 HydrophobicContact CD1-CD2 4.21Å; I172-L248 HydrophobicContact CG1-CD2 3.66Å; L175-L248 HydrophobicContact CD1-CD1 4.48Å; L175-L248 HydrophobicContact CD1-CD2 4.47Å; D244-L248 PolarHBondContact O-N 2.89Å; V245-L248 WeakPolarHBondContact O-CB 3.46Å; V245-L248 PolarHBondContact O-N 3.35Å; W246-L248 VanDerWaalsContact C-N 3.27Å; W246-L248 PolarHBondContact O-N 3.24Å; L248-V251 WeakPolarHBondContact O-CB 2.95Å; L248-V251 PolarHBondContact O-N 3.34Å; L248-M252 PolarHBondContact O-N 2.96Å; L248-L307 HydrophobicContact CD2-CD2 3.93Å; L248-I310 HydrophobicContact CD2-CD1 4.17Å
249	G	98.7	Very high	96.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.7	-46	172.8	0	0	0	0	0	112.6	V245 W246 V251 M252 Y253	V245-G249 PolarHBondContact O-N 3.37Å; W246-G249 WeakPolarHBondContact O-CA 3.26Å; W246-G249 PolarHBondContact O-N 3.44Å; G249-V251 VanDerWaalsContact C-N 3.3Å; G249-V251 PolarHBondContact O-N 3.15Å; G249-M252 PolarHBondContact O-N 3.27Å; G249-Y253 PolarHBondContact O-N 3Å
250	C	98.7	Very high	96.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.2	-40.1	173.7	-70.4	0	0	0	0	112	Y228 W246 S247 T254 P261	Y228-C250 HydrophobicContact CD1-CB 3.66Å; Y228-C250 HydrophobicContact CE1-CB 4.25Å; Y228-C250 HydrophobicContact CG-CB 4.46Å; W246-C250 PolarHBondContact O-N 3.43Å; S247-C250 PolarHBondContact O-N 3.05Å; C250-T254 WeakPolarHBondContact O-CB 3.4Å; C250-T254 PolarHBondContact O-N 3.43Å; C250-T254 PolarHBondContact O-OG1 3.31Å; C250-P261 HydrophobicContact CB-CG 4.13Å
251	V	98.6	Very high	96.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.3	-49	174.2	161	0	0	0	0	111.5	L168 I171 L190 F193 Y228 S247 L248 G249 Y253 T254 L255	L168-V251 HydrophobicContact CD2-CG1 4.41Å; I171-V251 HydrophobicContact CD1-CG1 4.27Å; L190-V251 HydrophobicContact CD2-CG1 3.98Å; L190-V251 HydrophobicContact CD2-CG2 4.39Å; F193-V251 HydrophobicContact CD2-CG1 4.45Å; F193-V251 HydrophobicContact CE2-CB 4.22Å; F193-V251 HydrophobicContact CE2-CG1 3.61Å; F193-V251 HydrophobicContact CE2-CG2 3.58Å; F193-V251 HydrophobicContact CZ-CG1 4.38Å; F193-V251 HydrophobicContact CZ-CG2 3.95Å; Y228-V251 HydrophobicContact CD1-CG2 4.02Å; Y228-V251 HydrophobicContact CE1-CG2 3.78Å; S247-V251 VanDerWaalsContact O-CG2 3.3Å; S247-V251 WeakPolarHBondContact O-CG2 3.45Å; S247-V251 PolarHBondContact O-N 2.99Å; L248-V251 WeakPolarHBondContact O-CB 2.95Å; L248-V251 PolarHBondContact O-N 3.34Å; G249-V251 VanDerWaalsContact C-N 3.3Å; G249-V251 PolarHBondContact O-N 3.15Å; V251-Y253 VanDerWaalsContact C-N 3.34Å; V251-Y253 PolarHBondContact O-N 2.9Å; V251-T254 PolarHBondContact O-N 2.99Å; V251-L255 HydrophobicContact CG1-CD1 4.07Å; V251-L255 VanDerWaalsContact O-CG 3.31Å; V251-L255 WeakPolarHBondContact O-CG 3.42Å; V251-L255 PolarHBondContact O-N 3.35Å
252	M	98.6	Very high	97	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-57	-48.3	177.4	176.2	174.2	175.9	0	0	111.1	V164 L168 L248 G249 L255 M256 A289 L292 I293 F315	V164-M252 HydrophobicContact CG1-CG 4.35Å; L168-M252 HydrophobicContact CD1-CB 3.94Å; L168-M252 HydrophobicContact CD1-CG 3.79Å; L168-M252 HydrophobicContact CD1-SD 3.88Å; L168-M252 HydrophobicContact CD2-CB 4.28Å; L248-M252 PolarHBondContact O-N 2.96Å; G249-M252 PolarHBondContact O-N 3.27Å; M252-L255 PolarHBondContact O-N 3.44Å; M252-M256 HydrophobicContact CE-CE 3.45Å; M252-M256 VanDerWaalsContact CE-CE 3.45Å; M252-M256 HydrophobicContact CE-SD 3.81Å; M252-M256 HydrophobicContact CG-CE 4.35Å; M252-M256 HydrophobicContact CG-SD 4.17Å; M252-M256 WeakPolarHBondContact O-CG 3.5Å; M252-M256 PolarHBondContact O-N 3.16Å; M252-A289 HydrophobicContact CE-CB 4.21Å; M252-L292 HydrophobicContact CE-CB 4.09Å; M252-L292 HydrophobicContact CE-CD2 3.86Å; M252-L292 HydrophobicContact CE-CG 4.14Å; M252-L292 HydrophobicContact SD-CB 4.47Å; M252-L292 HydrophobicContact SD-CD2 3.82Å; M252-L292 HydrophobicContact SD-CG 3.96Å; M252-I293 HydrophobicContact CE-CD1 4.23Å; M252-I293 HydrophobicContact CE-CG1 3.8Å; M252-I293 HydrophobicContact CG-CD1 4.27Å; M252-I293 HydrophobicContact CG-CG1 3.92Å; M252-I293 HydrophobicContact SD-CG1 3.8Å; M252-F315 HydrophobicContact CE-CD1 3.96Å; M252-F315 HydrophobicContact CE-CE1 3.67Å; M252-F315 HydrophobicContact CE-CE2 4.3Å; M252-F315 HydrophobicContact CE-CG 4.36Å; M252-F315 HydrophobicContact CE-CZ 3.88Å
253	Y	98.6	Very high	96.7	Very high	20 Å²	20	15 Å²	15	8%	0.078	8%	0.081	C	C	.	.	H	α-helix	trans	-59	-49.1	175.8	-177.2	-79.5	0	0	0	111.5	G249 V251 L255 M256 C257 N259 P261 Y279 T280 L281 I293	G249-Y253 PolarHBondContact O-N 3Å; V251-Y253 VanDerWaalsContact C-N 3.34Å; V251-Y253 PolarHBondContact O-N 2.9Å; Y253-L255 VanDerWaalsContact C-N 3.3Å; Y253-L255 PolarHBondContact O-N 3.05Å; Y253-M256 PolarHBondContact O-N 2.85Å; Y253-M256 VanDerWaalsContact O-N 3.11Å; Y253-C257 HydrophobicContact CD1-CB 3.87Å; Y253-C257 HydrophobicContact CD2-CB 4.48Å; Y253-C257 HydrophobicContact CE1-CB 3.51Å; Y253-C257 HydrophobicContact CE2-CB 4.17Å; Y253-C257 VanDerWaalsContact CE2-SG 3.55Å; Y253-C257 HydrophobicContact CG-CB 4.35Å; Y253-C257 WeakPolarHBondContact O-CB 3.33Å; Y253-C257 PolarHBondContact O-N 2.95Å; Y253-N259 WeakPolarHBondContact CD1-O 3.31Å; Y253-N259 WeakPolarHBondContact CE1-O 3.37Å; Y253-P261 HydrophobicContact CD1-CB 3.64Å; Y253-P261 VanDerWaalsContact CD1-CD 3.49Å; Y253-P261 HydrophobicContact CD1-CG 4Å; Y253-P261 HydrophobicContact CD2-CB 4.04Å; Y253-P261 HydrophobicContact CE1-CB 3.85Å; Y253-P261 HydrophobicContact CE2-CB 4.23Å; Y253-P261 HydrophobicContact CG-CB 3.75Å; Y253-P261 HydrophobicContact CG-CG 4.08Å; Y253-Y279 HydrophobicContact CD2-CD2 4.24Å; Y253-Y279 HydrophobicContact CD2-CE2 4.42Å; Y253-Y279 AromaticContact CE2-CD2 3.93Å; Y253-Y279 HydrophobicContact CE2-CD2 3.93Å; Y253-Y279 HydrophobicContact CE2-CE2 4.43Å; Y253-T280 VanDerWaalsContact CE2-O 3.24Å; Y253-T280 WeakPolarHBondContact CE2-O 3.45Å; Y253-T280 PolarHBondContact OH-O 2.84Å; Y253-L281 HydrophobicContact CD2-CD2 4.15Å; Y253-L281 HydrophobicContact CE2-CD2 4.13Å; Y253-I293 HydrophobicContact CD2-CD1 4.34Å; Y253-I293 HydrophobicContact CD2-CG2 4.2Å
254	T	97.9	Very high	96.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.1	-38	-177.5	-51.6	0	0	0	0	112.3	W153 L190 C250 V251 M256 G258 N259 P260	W153-T254 HydrophobicContact CZ2-CG2 4.4Å; L190-T254 HydrophobicContact CD1-CG2 3.76Å; C250-T254 WeakPolarHBondContact O-CB 3.4Å; C250-T254 PolarHBondContact O-N 3.43Å; C250-T254 PolarHBondContact O-OG1 3.31Å; V251-T254 PolarHBondContact O-N 2.99Å; T254-M256 VanDerWaalsContact C-N 3.34Å; T254-G258 WeakPolarHBondContact O-CA 3.28Å; T254-G258 PolarHBondContact O-N 2.98Å; T254-N259 WeakPolarHBondContact CA-O 3.34Å; T254-P260 HydrophobicContact CG2-CG 4.38Å; T254-P260 WeakPolarHBondContact OG1-CA 3.18Å
255	L	97.7	Very high	95.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-69.2	-30.8	177.9	-67.5	175.1	0	0	0	113.2	L149 T158 L159 V164 L190 V251 M252 Y253	L149-L255 HydrophobicContact CD2-CD1 3.82Å; L149-L255 HydrophobicContact CD2-CD2 3.92Å; L149-L255 HydrophobicContact CD2-CG 4.46Å; L149-L255 HydrophobicContact CG-CD2 3.99Å; T158-L255 CarbonylContact C-O 3.58Å; T158-L255 WeakPolarHBondContact CA-O 3.4Å; L159-L255 HydrophobicContact CD1-CD2 3.87Å; L159-L255 HydrophobicContact CG-CD2 4.35Å; L159-L255 PolarHBondContact N-O 3.37Å; V164-L255 HydrophobicContact CG2-CB 3.92Å; L190-L255 HydrophobicContact CD1-CD2 4.21Å; L190-L255 HydrophobicContact CD2-CD1 4.41Å; L190-L255 HydrophobicContact CD2-CD2 3.63Å; L190-L255 HydrophobicContact CD2-CG 3.92Å; V251-L255 HydrophobicContact CG1-CD1 4.07Å; V251-L255 VanDerWaalsContact O-CG 3.31Å; V251-L255 WeakPolarHBondContact O-CG 3.42Å; V251-L255 PolarHBondContact O-N 3.35Å; M252-L255 PolarHBondContact O-N 3.44Å; Y253-L255 VanDerWaalsContact C-N 3.3Å; Y253-L255 PolarHBondContact O-N 3.05Å
256	M	96.2	Very high	95.3	Very high	14 Å²	14	30.2 Å²	30.2	7%	0.069	16%	0.163	C	C	.	.	H	α-helix	trans	-90.3	-46.7	-178.8	-68.2	-179.9	161.9	0	0	113.1	T158 E161 V164 M252 Y253 T254 I285 A289 I293 F315	T158-M256 WeakPolarHBondContact CG2-O 3.35Å; E161-M256 HydrophobicContact CG-CE 4.18Å; V164-M256 HydrophobicContact CB-CE 4.19Å; V164-M256 HydrophobicContact CG1-CE 3.84Å; V164-M256 HydrophobicContact CG1-CG 4.33Å; V164-M256 HydrophobicContact CG2-CG 4.01Å; M252-M256 HydrophobicContact CE-CE 3.45Å; M252-M256 VanDerWaalsContact CE-CE 3.45Å; M252-M256 HydrophobicContact CE-SD 3.81Å; M252-M256 HydrophobicContact CG-CE 4.35Å; M252-M256 HydrophobicContact CG-SD 4.17Å; M252-M256 WeakPolarHBondContact O-CG 3.5Å; M252-M256 PolarHBondContact O-N 3.16Å; Y253-M256 PolarHBondContact O-N 2.85Å; Y253-M256 VanDerWaalsContact O-N 3.11Å; T254-M256 VanDerWaalsContact C-N 3.34Å; M256-I285 HydrophobicContact CB-CG2 3.92Å; M256-A289 HydrophobicContact CE-CB 3.75Å; M256-A289 HydrophobicContact SD-CB 3.84Å; M256-I293 HydrophobicContact SD-CD1 3.99Å; M256-F315 HydrophobicContact CE-CD2 4.49Å; M256-F315 HydrophobicContact CE-CE1 4.1Å; M256-F315 HydrophobicContact CE-CE2 3.4Å; M256-F315 HydrophobicContact CE-CZ 3.14Å
257	C	94.6	Very high	94.8	Very high	25 Å²	25	34.3 Å²	34.3	17%	0.169	18%	0.184	C	C	.	.	H	α-helix	trans	-93	-8.7	-172.4	-55.9	0	0	0	0	113	Y253 N259 P282	Y253-C257 HydrophobicContact CD1-CB 3.87Å; Y253-C257 HydrophobicContact CD2-CB 4.48Å; Y253-C257 HydrophobicContact CE1-CB 3.51Å; Y253-C257 HydrophobicContact CE2-CB 4.17Å; Y253-C257 VanDerWaalsContact CE2-SG 3.55Å; Y253-C257 HydrophobicContact CG-CB 4.35Å; Y253-C257 WeakPolarHBondContact O-CB 3.33Å; Y253-C257 PolarHBondContact O-N 2.95Å; C257-N259 PolarHBondContact O-N 2.74Å; C257-P282 HydrophobicContact CB-CG 4.42Å
258	G	91.3	Very high	94.4	Very high	6 Å²	6	41.7 Å²	41.7	6%	0.062	22%	0.215	C	C	.	.	S	Bend	trans	80.8	-13.1	173	0	0	0	0	0	115.9	W153 R157 T254	W153-G258 WeakPolarHBondContact CZ2-O 3.46Å; W153-G258 PolarHBondContact NE1-O 2.9Å; W153-G258 VanDerWaalsContact NE1-O 3.09Å; R157-G258 VanDerWaalsContact O-CA 3.32Å; R157-G258 WeakPolarHBondContact O-CA 3.48Å; T254-G258 WeakPolarHBondContact O-CA 3.28Å; T254-G258 PolarHBondContact O-N 2.98Å
259	N	91.5	Very high	94.2	Very high	98 Å²	98	44.7 Å²	44.7	52%	0.524	23%	0.229	S	C	.	.	S	Bend	trans	-132.2	159.6	172.4	-55.6	-72.6	0	0	0	109.7	Y253 T254 C257	Y253-N259 WeakPolarHBondContact CD1-O 3.31Å; Y253-N259 WeakPolarHBondContact CE1-O 3.37Å; T254-N259 WeakPolarHBondContact CA-O 3.34Å; C257-N259 PolarHBondContact O-N 2.74Å
260	P	94.9	Very high	93.9	Very high	13 Å²	13	44.9 Å²	44.9	8%	0.084	23%	0.23	C	C	.	.			trans	-67.8	150.4	175	-15.8	31.1	0	0	0	112.3	N227 T254 F262 E263	N227-P260 HydrophobicContact CB-CB 3.83Å; N227-P260 HydrophobicContact CB-CG 4.14Å; T254-P260 HydrophobicContact CG2-CG 4.38Å; T254-P260 WeakPolarHBondContact OG1-CA 3.18Å; P260-F262 VanDerWaalsContact C-N 3.3Å; P260-F262 PolarHBondContact O-N 3.48Å; P260-E263 HydrophobicContact CB-CB 4.07Å; P260-E263 VanDerWaalsContact CD-OE2 3.31Å; P260-E263 WeakPolarHBondContact CD-OE2 3.26Å; P260-E263 HydrophobicContact CG-CB 4.11Å; P260-E263 PolarHBondContact O-N 2.93Å
261	P	96.8	Very high	93.7	Very high	11 Å²	11	48.3 Å²	48.3	7%	0.071	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-26.7	-170.7	20.8	-28.9	0	0	0	115	C250 Y253 Y279 L297	C250-P261 HydrophobicContact CB-CG 4.13Å; Y253-P261 HydrophobicContact CD1-CB 3.64Å; Y253-P261 VanDerWaalsContact CD1-CD 3.49Å; Y253-P261 HydrophobicContact CD1-CG 4Å; Y253-P261 HydrophobicContact CD2-CB 4.04Å; Y253-P261 HydrophobicContact CE1-CB 3.85Å; Y253-P261 HydrophobicContact CE2-CB 4.23Å; Y253-P261 HydrophobicContact CG-CB 3.75Å; Y253-P261 HydrophobicContact CG-CG 4.08Å; P261-Y279 HydrophobicContact CB-CD2 4.14Å; P261-Y279 HydrophobicContact CB-CG 4.13Å; P261-Y279 WeakPolarHBondContact O-CB 3.31Å; P261-L297 HydrophobicContact CB-CD1 4.32Å; P261-L297 HydrophobicContact CG-CD1 4.16Å
262	F	96.8	Very high	93.6	Very high	3 Å²	3	52.1 Å²	52.1	1%	0.013	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	10.1	-174.9	-50.1	-74.8	0	0	0	113.3	W246 P260 T264 T270 C273 I274 Y279 L297	W246-F262 AromaticContact CE2-CE2 3.97Å; W246-F262 HydrophobicContact CH2-CE1 4.42Å; W246-F262 AromaticContact CH2-CE2 3.86Å; W246-F262 HydrophobicContact CH2-CE2 3.86Å; W246-F262 AromaticContact CH2-CZ 3.52Å; W246-F262 HydrophobicContact CH2-CZ 3.52Å; W246-F262 HydrophobicContact CZ2-CD2 4.13Å; W246-F262 HydrophobicContact CZ2-CE1 4.4Å; W246-F262 AromaticContact CZ2-CE2 3.23Å; W246-F262 HydrophobicContact CZ2-CE2 3.23Å; W246-F262 AromaticContact CZ2-CZ 3.4Å; W246-F262 HydrophobicContact CZ2-CZ 3.4Å; P260-F262 VanDerWaalsContact C-N 3.3Å; P260-F262 PolarHBondContact O-N 3.48Å; F262-T264 PolarHBondContact O-N 3.16Å; F262-T270 WeakPolarHBondContact O-CG2 3.41Å; F262-T270 PolarHBondContact O-OG1 3.29Å; F262-C273 HydrophobicContact CB-CB 4.26Å; F262-C273 HydrophobicContact CD1-CB 4.18Å; F262-I274 HydrophobicContact CB-CD1 4.35Å; F262-I274 HydrophobicContact CB-CG1 3.59Å; F262-I274 HydrophobicContact CD1-CG1 4.24Å; F262-I274 HydrophobicContact CD2-CG1 3.72Å; F262-I274 HydrophobicContact CG-CG1 3.57Å; F262-Y279 AromaticContact CE1-CD1 3.61Å; F262-Y279 HydrophobicContact CE1-CD1 3.61Å; F262-Y279 HydrophobicContact CE1-CG 4.08Å; F262-Y279 AromaticContact CZ-CD1 3.79Å; F262-Y279 HydrophobicContact CZ-CD1 3.79Å; F262-Y279 HydrophobicContact CZ-CE1 4.38Å; F262-Y279 HydrophobicContact CZ-CG 4.32Å; F262-L297 HydrophobicContact CE2-CD1 4.39Å; F262-L297 HydrophobicContact CZ-CD1 4.33Å
263	E	91.2	Very high	93.5	Very high	99 Å²	99	52.7 Å²	52.7	46%	0.463	26%	0.264	S	S	.	.			trans	-68.6	126.4	-176.5	-178.8	164.4	-100.6	0	0	111.2	N227 P260	N227-E263 PolarHBondContact ND2-OE1 3.26Å; P260-E263 HydrophobicContact CB-CB 4.07Å; P260-E263 VanDerWaalsContact CD-OE2 3.31Å; P260-E263 WeakPolarHBondContact CD-OE2 3.26Å; P260-E263 HydrophobicContact CG-CB 4.11Å; P260-E263 PolarHBondContact O-N 2.93Å
264	T	89.7	Confident	93.4	Very high	53 Å²	53	51.8 Å²	51.8	33%	0.325	26%	0.26	S	S	.	.			trans	-132.1	173.3	172.9	69.7	0	0	0	0	110.1	F262 D266 E269 T270	F262-T264 PolarHBondContact O-N 3.16Å; T264-D266 PolarHBondContact O-N 3.15Å; T264-D266 PolarHBondContact OG1-N 3.39Å; T264-D266 PolarHBondContact OG1-O 3.09Å; T264-E269 HydrophobicContact CG2-CG 4.4Å; T264-T270 PolarHBondContact N-OG1 2.79Å; T264-T270 PolarHBondContact OG1-N 3.13Å; T264-T270 PolarHBondContact OG1-OG1 2.8Å
265	L	85.7	Confident	93.3	Very high	194 Å²	194	55.3 Å²	55.3	100%	1.016	28%	0.276	S	S	*	.	S	Bend	trans	-70.8	-13.5	176.7	-61	177.7	0	0	0	113.6
266	D	87.6	Confident	93.3	Very high	86 Å²	86	59.8 Å²	59.8	46%	0.46	30%	0.297	S	S	.	.	S	Bend	trans	-127.4	128	-179	168.4	55.5	0	0	0	111.5	T264 K268 E269 T270	T264-D266 PolarHBondContact O-N 3.15Å; T264-D266 PolarHBondContact OG1-N 3.39Å; T264-D266 PolarHBondContact OG1-O 3.09Å; D266-K268 PolarHBondContact O-N 3.29Å; D266-K268 PolarHBondContact OD1-N 3.2Å; D266-K268 WeakPolarHBondContact OD2-CA 3.33Å; D266-K268 VanDerWaalsContact OD2-CB 3.3Å; D266-K268 WeakPolarHBondContact OD2-CB 3.36Å; D266-K268 PolarHBondContact OD2-N 2.66Å; D266-E269 HydrophobicContact CB-CB 4.4Å; D266-E269 PolarHBondContact O-N 3.28Å; D266-E269 PolarHBondContact OD2-N 2.67Å; D266-T270 PolarHBondContact O-N 3.17Å; D266-T270 PolarHBondContact O-OG1 3.37Å
267	L	88.3	Confident	93.4	Very high	85 Å²	85	60.5 Å²	60.5	45%	0.445	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-30.3	-176.4	-175.5	62.4	0	0	0	112.9	P226 Y271	P226-L267 HydrophobicContact CB-CD1 3.6Å; P226-L267 HydrophobicContact CG-CD1 3.92Å; L267-Y271 HydrophobicContact CD1-CD1 4.44Å; L267-Y271 HydrophobicContact CD1-CE1 3.79Å; L267-Y271 HydrophobicContact CD1-CE2 4.28Å; L267-Y271 HydrophobicContact CD2-CE2 4.27Å; L267-Y271 HydrophobicContact CG-CD2 4.46Å; L267-Y271 HydrophobicContact CG-CE1 4.29Å; L267-Y271 HydrophobicContact CG-CE2 3.87Å; L267-Y271 WeakPolarHBondContact O-CD2 3.35Å; L267-Y271 VanDerWaalsContact O-CG 3.28Å; L267-Y271 PolarHBondContact O-N 3.28Å
268	K	90.1	Very high	93.5	Very high	165 Å²	165	67 Å²	67	72%	0.717	32%	0.323	S	S	*	.	H	α-helix	trans	-74.1	-40.6	178.5	178.3	-173.6	175.7	-170.4	0	111	D266 Y271 K272	D266-K268 PolarHBondContact O-N 3.29Å; D266-K268 PolarHBondContact OD1-N 3.2Å; D266-K268 WeakPolarHBondContact OD2-CA 3.33Å; D266-K268 VanDerWaalsContact OD2-CB 3.3Å; D266-K268 WeakPolarHBondContact OD2-CB 3.36Å; D266-K268 PolarHBondContact OD2-N 2.66Å; K268-Y271 PolarHBondContact O-N 3.07Å; K268-K272 PolarHBondContact O-N 3.33Å
269	E	93.9	Very high	93.8	Very high	66 Å²	66	69 Å²	69	31%	0.308	33%	0.329	S	S	.	.	H	α-helix	trans	-66.8	-38.8	171	-166.4	65	-163.3	0	0	111.4	T264 D266 Y271 K272 C273	T264-E269 HydrophobicContact CG2-CG 4.4Å; D266-E269 HydrophobicContact CB-CB 4.4Å; D266-E269 PolarHBondContact O-N 3.28Å; D266-E269 PolarHBondContact OD2-N 2.67Å; E269-Y271 VanDerWaalsContact C-N 3.33Å; E269-Y271 PolarHBondContact O-N 3.35Å; E269-K272 WeakPolarHBondContact O-CB 3.4Å; E269-K272 PolarHBondContact O-N 2.96Å; E269-K272 IonicContact OE1-NZ 3.85Å; E269-K272 PolarHBondContact OE1-NZ 3.43Å; E269-K272 WeakPolarHBondContact OE2-CD 3.48Å; E269-K272 IonicContact OE2-NZ 3.28Å; E269-K272 PolarHBondContact OE2-NZ 3.13Å; E269-C273 PolarHBondContact O-N 2.96Å; E269-C273 PolarHBondContact O-SG 2.84Å
270	T	92.5	Very high	93.9	Very high	3 Å²	3	69.6 Å²	69.6	2%	0.018	34%	0.336	C	S	.	.	H	α-helix	trans	-54.2	-48.2	171.1	-69.5	0	0	0	0	110.9	F262 T264 D266 K272 C273 I274	F262-T270 WeakPolarHBondContact O-CG2 3.41Å; F262-T270 PolarHBondContact O-OG1 3.29Å; T264-T270 PolarHBondContact N-OG1 2.79Å; T264-T270 PolarHBondContact OG1-N 3.13Å; T264-T270 PolarHBondContact OG1-OG1 2.8Å; D266-T270 PolarHBondContact O-N 3.17Å; D266-T270 PolarHBondContact O-OG1 3.37Å; T270-K272 VanDerWaalsContact C-N 3.31Å; T270-K272 PolarHBondContact O-N 3.01Å; T270-C273 PolarHBondContact O-N 2.95Å; T270-I274 HydrophobicContact CG2-CD1 4.06Å; T270-I274 WeakPolarHBondContact O-CG1 3.24Å; T270-I274 PolarHBondContact O-N 3.33Å
271	Y	95.1	Very high	93.8	Very high	72 Å²	72	71.6 Å²	71.6	28%	0.282	35%	0.346	S	S	.	.	H	α-helix	trans	-64.6	-32	176.3	-68	-21.8	0	0	0	113.8	P226 L229 L234 L267 K268 E269 I274 K275	P226-Y271 HydrophobicContact CB-CE1 4.05Å; L229-Y271 HydrophobicContact CD1-CE1 4.09Å; L234-Y271 HydrophobicContact CD1-CD1 3.76Å; L234-Y271 HydrophobicContact CD1-CG 4.11Å; L234-Y271 HydrophobicContact CD2-CD1 3.79Å; L234-Y271 HydrophobicContact CD2-CE1 3.89Å; L234-Y271 HydrophobicContact CD2-CG 4.22Å; L234-Y271 HydrophobicContact CG-CD1 4.47Å; L267-Y271 HydrophobicContact CD1-CD1 4.44Å; L267-Y271 HydrophobicContact CD1-CE1 3.79Å; L267-Y271 HydrophobicContact CD1-CE2 4.28Å; L267-Y271 HydrophobicContact CD2-CE2 4.27Å; L267-Y271 HydrophobicContact CG-CD2 4.46Å; L267-Y271 HydrophobicContact CG-CE1 4.29Å; L267-Y271 HydrophobicContact CG-CE2 3.87Å; L267-Y271 WeakPolarHBondContact O-CD2 3.35Å; L267-Y271 VanDerWaalsContact O-CG 3.28Å; L267-Y271 PolarHBondContact O-N 3.28Å; K268-Y271 PolarHBondContact O-N 3.07Å; E269-Y271 VanDerWaalsContact C-N 3.33Å; E269-Y271 PolarHBondContact O-N 3.35Å; Y271-I274 HydrophobicContact CD1-CD1 4.39Å; Y271-K275 VanDerWaalsContact O-CG 3.31Å; Y271-K275 WeakPolarHBondContact O-CG 3.29Å; Y271-K275 PolarHBondContact O-N 3.47Å; Y271-K275 VanDerWaalsContact O-N 3.08Å
272	K	96.1	Very high	93.4	Very high	81 Å²	81	73.1 Å²	73.1	35%	0.352	36%	0.356	S	S	.	.	H	α-helix	trans	-69.1	-48.7	174	-179.4	-175	156.3	-145.1	0	111	K268 E269 T270 I274 K275 E276	K268-K272 PolarHBondContact O-N 3.33Å; E269-K272 WeakPolarHBondContact O-CB 3.4Å; E269-K272 PolarHBondContact O-N 2.96Å; E269-K272 IonicContact OE1-NZ 3.85Å; E269-K272 PolarHBondContact OE1-NZ 3.43Å; E269-K272 WeakPolarHBondContact OE2-CD 3.48Å; E269-K272 IonicContact OE2-NZ 3.28Å; E269-K272 PolarHBondContact OE2-NZ 3.13Å; T270-K272 VanDerWaalsContact C-N 3.31Å; T270-K272 PolarHBondContact O-N 3.01Å; K272-I274 VanDerWaalsContact C-N 3.27Å; K272-I274 PolarHBondContact O-N 3.37Å; K272-K275 PolarHBondContact O-N 2.91Å; K272-K275 VanDerWaalsContact O-N 3.08Å; K272-E276 WeakPolarHBondContact CE-OE1 3.4Å; K272-E276 HydrophobicContact CG-CG 4.38Å; K272-E276 WeakPolarHBondContact CG-OE1 3.49Å; K272-E276 WeakPolarHBondContact O-CB 3.27Å; K272-E276 WeakPolarHBondContact O-CG 3.28Å; K272-E276 PolarHBondContact O-N 3.46Å
273	C	97.1	Very high	93	Very high	13 Å²	13	78.5 Å²	78.5	9%	0.088	39%	0.394	C	S	.	.	H	α-helix	trans	-54.5	-41.6	173.9	-71.6	0	0	0	0	112.2	F262 E269 T270 V277 R278	F262-C273 HydrophobicContact CB-CB 4.26Å; F262-C273 HydrophobicContact CD1-CB 4.18Å; E269-C273 PolarHBondContact O-N 2.96Å; E269-C273 PolarHBondContact O-SG 2.84Å; T270-C273 PolarHBondContact O-N 2.95Å; C273-V277 CarbonylContact O-C 3.49Å; C273-V277 WeakPolarHBondContact O-CA 3.45Å; C273-V277 PolarHBondContact O-N 2.98Å; C273-R278 PolarHBondContact O-N 3.34Å
274	I	97.5	Very high	92.8	Very high	0 Å²	0	79.6 Å²	79.6	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-61.7	-51.6	173.4	-68.3	164.6	0	0	0	111.1	P226 L229 P231 L234 W246 F262 T270 Y271 K272 E276 V277	P226-I274 WeakPolarHBondContact O-CD1 3.42Å; L229-I274 VanDerWaalsContact O-CG2 3.29Å; L229-I274 WeakPolarHBondContact O-CG2 3.16Å; P231-I274 HydrophobicContact CG-CG2 4.11Å; L234-I274 HydrophobicContact CD1-CB 3.78Å; L234-I274 HydrophobicContact CD1-CD1 4.04Å; L234-I274 HydrophobicContact CD1-CG2 3.51Å; L234-I274 HydrophobicContact CG-CG2 4.48Å; W246-I274 HydrophobicContact CZ2-CG2 4.01Å; F262-I274 HydrophobicContact CB-CD1 4.35Å; F262-I274 HydrophobicContact CB-CG1 3.59Å; F262-I274 HydrophobicContact CD1-CG1 4.24Å; F262-I274 HydrophobicContact CD2-CG1 3.72Å; F262-I274 HydrophobicContact CG-CG1 3.57Å; T270-I274 HydrophobicContact CG2-CD1 4.06Å; T270-I274 WeakPolarHBondContact O-CG1 3.24Å; T270-I274 PolarHBondContact O-N 3.33Å; Y271-I274 HydrophobicContact CD1-CD1 4.39Å; K272-I274 VanDerWaalsContact C-N 3.27Å; K272-I274 PolarHBondContact O-N 3.37Å; I274-E276 VanDerWaalsContact C-N 3.29Å; I274-E276 PolarHBondContact O-N 2.84Å; I274-V277 PolarHBondContact O-N 3.15Å
275	K	95.9	Very high	92.9	Very high	75 Å²	75	77.8 Å²	77.8	33%	0.326	40%	0.395	S	S	.	.	H	α-helix	trans	-64.1	-31.7	-178	-73.8	-179.7	-177.3	-139.9	0	113.8	L234 N235 Y271 K272 K299	L234-K275 VanDerWaalsContact CB-CE 3.5Å; L234-K275 HydrophobicContact CB-CG 4.3Å; L234-K275 HydrophobicContact CD1-CG 4.38Å; L234-K275 WeakPolarHBondContact O-CE 3.3Å; L234-K275 PolarHBondContact O-NZ 3Å; N235-K275 WeakPolarHBondContact OD1-CD 3.31Å; N235-K275 WeakPolarHBondContact OD1-CE 3.48Å; N235-K275 PolarHBondContact OD1-NZ 3.49Å; Y271-K275 VanDerWaalsContact O-CG 3.31Å; Y271-K275 WeakPolarHBondContact O-CG 3.29Å; Y271-K275 PolarHBondContact O-N 3.47Å; Y271-K275 VanDerWaalsContact O-N 3.08Å; K272-K275 PolarHBondContact O-N 2.91Å; K272-K275 VanDerWaalsContact O-N 3.08Å; K275-K299 VanDerWaalsContact O-CE 3.32Å; K275-K299 WeakPolarHBondContact O-CE 3.48Å
276	E	97.1	Very high	93.4	Very high	94 Å²	94	70.1 Å²	70.1	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-85.6	-11.6	175.8	-68.4	172.7	-173.4	0	0	112.5	K272 I274 R278	K272-E276 WeakPolarHBondContact CE-OE1 3.4Å; K272-E276 HydrophobicContact CG-CG 4.38Å; K272-E276 WeakPolarHBondContact CG-OE1 3.49Å; K272-E276 WeakPolarHBondContact O-CB 3.27Å; K272-E276 WeakPolarHBondContact O-CG 3.28Å; K272-E276 PolarHBondContact O-N 3.46Å; I274-E276 VanDerWaalsContact C-N 3.29Å; I274-E276 PolarHBondContact O-N 2.84Å; E276-R278 HydrophobicContact CB-CB 4.23Å; E276-R278 PolarHBondContact O-N 2.75Å
277	V	97.4	Very high	93.9	Very high	29 Å²	29	71 Å²	71	18%	0.176	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	40	-172.1	-167.2	0	0	0	0	111.5	P231 W246 C273 I274 Y279 L297 K299	P231-V277 HydrophobicContact CG-CG2 4.25Å; W246-V277 HydrophobicContact CH2-CB 4.49Å; W246-V277 HydrophobicContact CH2-CG1 4.02Å; W246-V277 HydrophobicContact CH2-CG2 3.96Å; W246-V277 HydrophobicContact CZ3-CG1 4.24Å; W246-V277 HydrophobicContact CZ3-CG2 4.26Å; C273-V277 CarbonylContact O-C 3.49Å; C273-V277 WeakPolarHBondContact O-CA 3.45Å; C273-V277 PolarHBondContact O-N 2.98Å; I274-V277 PolarHBondContact O-N 3.15Å; V277-Y279 HydrophobicContact CG1-CD1 4.36Å; V277-Y279 HydrophobicContact CG1-CE1 3.98Å; V277-L297 WeakPolarHBondContact CG1-O 3.43Å; V277-K299 HydrophobicContact CG2-CB 3.61Å; V277-K299 HydrophobicContact CG2-CD 4.42Å; V277-K299 HydrophobicContact CG2-CG 3.87Å
278	R	97.3	Very high	94.3	Very high	162 Å²	162	67.9 Å²	67.9	61%	0.611	36%	0.355	S	S	*	.			trans	-94.5	102.3	-177.2	-173.7	179.4	178.3	-168.4	-1.3	110.8	C273 E276	C273-R278 PolarHBondContact O-N 3.34Å; E276-R278 HydrophobicContact CB-CB 4.23Å; E276-R278 PolarHBondContact O-N 2.75Å
279	Y	96.9	Very high	94.7	Very high	47 Å²	47	60 Å²	60	18%	0.184	32%	0.321	C	S	.	.			trans	-144	168.2	172	67.7	-75.5	0	0	0	109.6	Y253 P261 F262 V277 L281 I293 S294 L297	Y253-Y279 HydrophobicContact CD2-CD2 4.24Å; Y253-Y279 HydrophobicContact CD2-CE2 4.42Å; Y253-Y279 AromaticContact CE2-CD2 3.93Å; Y253-Y279 HydrophobicContact CE2-CD2 3.93Å; Y253-Y279 HydrophobicContact CE2-CE2 4.43Å; P261-Y279 HydrophobicContact CB-CD2 4.14Å; P261-Y279 HydrophobicContact CB-CG 4.13Å; P261-Y279 WeakPolarHBondContact O-CB 3.31Å; F262-Y279 AromaticContact CE1-CD1 3.61Å; F262-Y279 HydrophobicContact CE1-CD1 3.61Å; F262-Y279 HydrophobicContact CE1-CG 4.08Å; F262-Y279 AromaticContact CZ-CD1 3.79Å; F262-Y279 HydrophobicContact CZ-CD1 3.79Å; F262-Y279 HydrophobicContact CZ-CE1 4.38Å; F262-Y279 HydrophobicContact CZ-CG 4.32Å; V277-Y279 HydrophobicContact CG1-CD1 4.36Å; V277-Y279 HydrophobicContact CG1-CE1 3.98Å; Y279-L281 HydrophobicContact CD2-CG 4.38Å; Y279-L281 HydrophobicContact CE2-CD1 4.21Å; Y279-L281 HydrophobicContact CE2-CD2 3.89Å; Y279-L281 HydrophobicContact CE2-CG 3.77Å; Y279-I293 HydrophobicContact CE2-CG2 3.99Å; Y279-S294 WeakPolarHBondContact OH-CA 3.38Å; Y279-L297 HydrophobicContact CE1-CB 4.06Å; Y279-L297 HydrophobicContact CE1-CD1 4.16Å; Y279-L297 HydrophobicContact CE2-CD1 4.08Å
280	T	94.4	Very high	94.9	Very high	111 Å²	111	59.5 Å²	59.5	68%	0.681	32%	0.318	S	S	*	.			trans	-113.8	141.4	177.2	51	0	0	0	0	110.6	Y253	Y253-T280 VanDerWaalsContact CE2-O 3.24Å; Y253-T280 WeakPolarHBondContact CE2-O 3.45Å; Y253-T280 PolarHBondContact OH-O 2.84Å
281	L	92.9	Very high	95.1	Very high	54 Å²	54	65.1 Å²	65.1	28%	0.283	34%	0.343	S	S	.	.			trans	-101.2	119.7	171	-74.4	164.2	0	0	0	108.2	Y253 Y279 I285 Q290 I293	Y253-L281 HydrophobicContact CD2-CD2 4.15Å; Y253-L281 HydrophobicContact CE2-CD2 4.13Å; Y279-L281 HydrophobicContact CD2-CG 4.38Å; Y279-L281 HydrophobicContact CE2-CD1 4.21Å; Y279-L281 HydrophobicContact CE2-CD2 3.89Å; Y279-L281 HydrophobicContact CE2-CG 3.77Å; L281-I285 HydrophobicContact CD2-CD1 3.86Å; L281-Q290 HydrophobicContact CB-CG 4.32Å; L281-Q290 HydrophobicContact CD1-CB 4.18Å; L281-I293 HydrophobicContact CD2-CB 4.13Å; L281-I293 HydrophobicContact CD2-CD1 4.11Å; L281-I293 HydrophobicContact CD2-CG2 3.94Å
282	P	88.9	Confident	95.3	Very high	43 Å²	43	61.7 Å²	61.7	28%	0.279	33%	0.329	S	S	.	.			trans	-73.1	147.9	179.1	29.7	-32.7	0	0	0	110.6	C257 T284 I285	C257-P282 HydrophobicContact CB-CG 4.42Å; P282-T284 PolarHBondContact O-N 2.91Å; P282-T284 VanDerWaalsContact O-N 3.12Å; P282-I285 HydrophobicContact CG-CG1 4.23Å; P282-I285 WeakPolarHBondContact O-CG1 3.41Å; P282-I285 PolarHBondContact O-N 3.45Å
283	S	88.3	Confident	95.4	Very high	116 Å²	116	57.9 Å²	57.9	81%	0.811	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-8.2	177.4	50.8	0	0	0	0	114.2
284	T	86.4	Confident	95.5	Very high	123 Å²	123	59.1 Å²	59.1	76%	0.755	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.7	-179.5	52.8	0	0	0	0	114.2	P282	P282-T284 PolarHBondContact O-N 2.91Å; P282-T284 VanDerWaalsContact O-N 3.12Å
285	I	91.8	Very high	95.5	Very high	14 Å²	14	60.5 Å²	60.5	7%	0.072	33%	0.331	C	S	.	.	S	Bend	trans	-96.9	148	175.4	54	159.9	0	0	0	110.9	M256 L281 P282 A289 Q290 I293	M256-I285 HydrophobicContact CB-CG2 3.92Å; L281-I285 HydrophobicContact CD2-CD1 3.86Å; P282-I285 HydrophobicContact CG-CG1 4.23Å; P282-I285 WeakPolarHBondContact O-CG1 3.41Å; P282-I285 PolarHBondContact O-N 3.45Å; I285-A289 HydrophobicContact CB-CB 4.43Å; I285-Q290 HydrophobicContact CD1-CG 3.61Å; I285-Q290 HydrophobicContact CG1-CG 3.65Å; I285-Q290 PolarHBondContact O-NE2 2.71Å; I285-I293 HydrophobicContact CD1-CD1 3.97Å
286	S	95.9	Very high	95.6	Very high	34 Å²	34	57 Å²	57	24%	0.238	32%	0.316	C	S	.	.			trans	-62.9	153.7	-172.8	68.8	0	0	0	0	113.1	E161 A288 A289 Q290	E161-S286 VanDerWaalsContact CD-OG 3.32Å; E161-S286 WeakPolarHBondContact OE1-CB 3.41Å; E161-S286 PolarHBondContact OE1-N 3.02Å; E161-S286 VanDerWaalsContact OE1-N 3.14Å; E161-S286 PolarHBondContact OE1-OG 3.49Å; E161-S286 PolarHBondContact OE2-OG 2.95Å; S286-A288 PolarHBondContact O-N 2.84Å; S286-A288 VanDerWaalsContact O-N 3.15Å; S286-A289 WeakPolarHBondContact O-CB 3.29Å; S286-A289 PolarHBondContact O-N 3.3Å; S286-A289 WeakPolarHBondContact OG-CB 3.35Å; S286-A289 PolarHBondContact OG-N 2.95Å; S286-A289 VanDerWaalsContact OG-N 3.16Å; S286-Q290 WeakPolarHBondContact O-CG 3.47Å; S286-Q290 PolarHBondContact O-N 2.69Å
287	P	97.1	Very high	95.7	Very high	105 Å²	105	52.6 Å²	52.6	68%	0.682	30%	0.295	S	S	*	.	H	α-helix	trans	-55.2	-32.9	174.1	-27.3	35.6	0	0	0	113.4	K291	P287-K291 VanDerWaalsContact O-CB 3.25Å; P287-K291 WeakPolarHBondContact O-CB 3.45Å; P287-K291 PolarHBondContact O-N 3.36Å
288	A	97.5	Very high	95.8	Very high	19 Å²	19	54.7 Å²	54.7	16%	0.157	30%	0.303	C	S	.	.	H	α-helix	trans	-69.3	-37.8	175.5	0	0	0	0	0	112.6	S286 L292 H313 E314 F315	S286-A288 PolarHBondContact O-N 2.84Å; S286-A288 VanDerWaalsContact O-N 3.15Å; A288-L292 WeakPolarHBondContact O-CB 3.08Å; A288-L292 PolarHBondContact O-N 2.99Å; A288-L292 VanDerWaalsContact O-N 3.13Å; A288-H313 PolarHBondContact O-CE1 2.79Å; A288-H313 VanDerWaalsContact O-CE1 3.28Å; A288-E314 HydrophobicContact CB-CG 4.1Å; A288-F315 HydrophobicContact CB-CB 4.45Å
289	A	97.8	Very high	95.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-68.3	-46.5	172.7	0	0	0	0	0	111.7	M252 M256 I285 S286 K291 L292 I293 F315	M252-A289 HydrophobicContact CE-CB 4.21Å; M256-A289 HydrophobicContact CE-CB 3.75Å; M256-A289 HydrophobicContact SD-CB 3.84Å; I285-A289 HydrophobicContact CB-CB 4.43Å; S286-A289 WeakPolarHBondContact O-CB 3.29Å; S286-A289 PolarHBondContact O-N 3.3Å; S286-A289 WeakPolarHBondContact OG-CB 3.35Å; S286-A289 PolarHBondContact OG-N 2.95Å; S286-A289 VanDerWaalsContact OG-N 3.16Å; A289-K291 PolarHBondContact O-N 3.42Å; A289-L292 PolarHBondContact O-N 3Å; A289-I293 WeakPolarHBondContact O-CG1 3.43Å; A289-I293 PolarHBondContact O-N 3.26Å; A289-F315 HydrophobicContact CB-CD2 4.06Å; A289-F315 HydrophobicContact CB-CE2 4.02Å
290	Q	98.1	Very high	95.7	Very high	54 Å²	54	54.2 Å²	54.2	25%	0.252	31%	0.311	S	S	.	.	H	α-helix	trans	-55.7	-49.8	176.1	-68.1	-179.2	35.2	0	0	111.6	L281 I285 S286 L292 I293 S294	L281-Q290 HydrophobicContact CB-CG 4.32Å; L281-Q290 HydrophobicContact CD1-CB 4.18Å; I285-Q290 HydrophobicContact CD1-CG 3.61Å; I285-Q290 HydrophobicContact CG1-CG 3.65Å; I285-Q290 PolarHBondContact O-NE2 2.71Å; S286-Q290 WeakPolarHBondContact O-CG 3.47Å; S286-Q290 PolarHBondContact O-N 2.69Å; Q290-L292 VanDerWaalsContact C-N 3.34Å; Q290-L292 PolarHBondContact O-N 3.16Å; Q290-I293 PolarHBondContact O-N 3.41Å; Q290-S294 PolarHBondContact O-N 3.24Å; Q290-S294 PolarHBondContact O-OG 2.61Å
291	K	98.1	Very high	95.9	Very high	122 Å²	122	50.6 Å²	50.6	53%	0.53	29%	0.289	S	S	.	.	H	α-helix	trans	-61.8	-38	178	-175.7	176.6	178.8	179.6	0	112.7	P287 A289 S294 S295	P287-K291 VanDerWaalsContact O-CB 3.25Å; P287-K291 WeakPolarHBondContact O-CB 3.45Å; P287-K291 PolarHBondContact O-N 3.36Å; A289-K291 PolarHBondContact O-N 3.42Å; K291-S294 PolarHBondContact O-OG 3.44Å; K291-S295 WeakPolarHBondContact O-CB 3.48Å; K291-S295 PolarHBondContact O-N 2.98Å; K291-S295 PolarHBondContact O-OG 2.89Å
292	L	98.6	Very high	96	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-67.8	-46.7	176.3	-176.7	52.1	0	0	0	111.5	M252 A288 A289 Q290 S294 S295 I296 L305 I310 H313 F315 F316	M252-L292 HydrophobicContact CE-CB 4.09Å; M252-L292 HydrophobicContact CE-CD2 3.86Å; M252-L292 HydrophobicContact CE-CG 4.14Å; M252-L292 HydrophobicContact SD-CB 4.47Å; M252-L292 HydrophobicContact SD-CD2 3.82Å; M252-L292 HydrophobicContact SD-CG 3.96Å; A288-L292 WeakPolarHBondContact O-CB 3.08Å; A288-L292 PolarHBondContact O-N 2.99Å; A288-L292 VanDerWaalsContact O-N 3.13Å; A289-L292 PolarHBondContact O-N 3Å; Q290-L292 VanDerWaalsContact C-N 3.34Å; Q290-L292 PolarHBondContact O-N 3.16Å; L292-S294 VanDerWaalsContact C-N 3.34Å; L292-S294 PolarHBondContact O-N 3.48Å; L292-S295 PolarHBondContact O-N 2.89Å; L292-S295 VanDerWaalsContact O-N 3.16Å; L292-I296 HydrophobicContact CD1-CD1 3.73Å; L292-I296 HydrophobicContact CD1-CG1 4.07Å; L292-I296 HydrophobicContact CG-CD1 3.82Å; L292-I296 WeakPolarHBondContact O-CG1 3.45Å; L292-I296 PolarHBondContact O-N 2.95Å; L292-L305 HydrophobicContact CD1-CD1 3.86Å; L292-I310 HydrophobicContact CD1-CG1 4.38Å; L292-I310 HydrophobicContact CD1-CG2 4.32Å; L292-I310 HydrophobicContact CD2-CG2 4.42Å; L292-H313 HydrophobicContact CD1-CB 3.93Å; L292-H313 HydrophobicContact CD2-CB 4.43Å; L292-F315 HydrophobicContact CB-CB 4.48Å; L292-F315 HydrophobicContact CD2-CB 3.89Å; L292-F315 HydrophobicContact CD2-CD1 3.47Å; L292-F315 VanDerWaalsContact CD2-CD1 3.47Å; L292-F315 HydrophobicContact CD2-CE1 4.31Å; L292-F315 HydrophobicContact CD2-CG 3.97Å; L292-F316 HydrophobicContact CD2-CD2 4.24Å; L292-F316 HydrophobicContact CD2-CE2 3.77Å
293	I	98.6	Very high	96.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.7	-46.5	178.9	-66.8	166.9	0	0	0	110.2	M252 Y253 M256 Y279 L281 I285 A289 Q290 S295 I296 L297	M252-I293 HydrophobicContact CE-CD1 4.23Å; M252-I293 HydrophobicContact CE-CG1 3.8Å; M252-I293 HydrophobicContact CG-CD1 4.27Å; M252-I293 HydrophobicContact CG-CG1 3.92Å; M252-I293 HydrophobicContact SD-CG1 3.8Å; Y253-I293 HydrophobicContact CD2-CD1 4.34Å; Y253-I293 HydrophobicContact CD2-CG2 4.2Å; M256-I293 HydrophobicContact SD-CD1 3.99Å; Y279-I293 HydrophobicContact CE2-CG2 3.99Å; L281-I293 HydrophobicContact CD2-CB 4.13Å; L281-I293 HydrophobicContact CD2-CD1 4.11Å; L281-I293 HydrophobicContact CD2-CG2 3.94Å; I285-I293 HydrophobicContact CD1-CD1 3.97Å; A289-I293 WeakPolarHBondContact O-CG1 3.43Å; A289-I293 PolarHBondContact O-N 3.26Å; Q290-I293 PolarHBondContact O-N 3.41Å; I293-S295 VanDerWaalsContact C-N 3.31Å; I293-S295 PolarHBondContact O-N 3.08Å; I293-I296 PolarHBondContact O-N 3.28Å; I293-I296 VanDerWaalsContact O-N 3.13Å; I293-L297 HydrophobicContact CG2-CD1 3.71Å; I293-L297 HydrophobicContact CG2-CG 4.22Å; I293-L297 WeakPolarHBondContact O-CB 3.21Å; I293-L297 PolarHBondContact O-N 3.15Å
294	S	98.1	Very high	96.9	Very high	40 Å²	40	49.9 Å²	49.9	28%	0.28	28%	0.281	S	S	.	.	H	α-helix	trans	-67	-28.5	177.6	64.9	0	0	0	0	113.7	Y279 Q290 K291 L292 I296 Q298	Y279-S294 WeakPolarHBondContact OH-CA 3.38Å; Q290-S294 PolarHBondContact O-N 3.24Å; Q290-S294 PolarHBondContact O-OG 2.61Å; K291-S294 PolarHBondContact O-OG 3.44Å; L292-S294 VanDerWaalsContact C-N 3.34Å; L292-S294 PolarHBondContact O-N 3.48Å; S294-I296 VanDerWaalsContact C-N 3.33Å; S294-Q298 PolarHBondContact O-NE2 3.16Å
295	S	98.5	Very high	97.5	Very high	28 Å²	28	45.8 Å²	45.8	20%	0.196	25%	0.254	C	S	.	.	H	α-helix	trans	-77.7	-14.9	173.4	-52.2	0	0	0	0	113.8	K291 L292 I293 L305	K291-S295 WeakPolarHBondContact O-CB 3.48Å; K291-S295 PolarHBondContact O-N 2.98Å; K291-S295 PolarHBondContact O-OG 2.89Å; L292-S295 PolarHBondContact O-N 2.89Å; L292-S295 VanDerWaalsContact O-N 3.16Å; I293-S295 VanDerWaalsContact C-N 3.31Å; I293-S295 PolarHBondContact O-N 3.08Å; S295-L305 PolarHBondContact O-N 2.94Å; S295-L305 VanDerWaalsContact O-N 3.16Å
296	I	98.6	Very high	97.8	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-96.9	-43.8	175.6	-64.9	168.7	0	0	0	111.1	V245 L292 I293 S294 Q298 R304 I310	V245-I296 HydrophobicContact CG1-CG2 3.94Å; V245-I296 WeakPolarHBondContact O-CG2 3.28Å; L292-I296 HydrophobicContact CD1-CD1 3.73Å; L292-I296 HydrophobicContact CD1-CG1 4.07Å; L292-I296 HydrophobicContact CG-CD1 3.82Å; L292-I296 WeakPolarHBondContact O-CG1 3.45Å; L292-I296 PolarHBondContact O-N 2.95Å; I293-I296 PolarHBondContact O-N 3.28Å; I293-I296 VanDerWaalsContact O-N 3.13Å; S294-I296 VanDerWaalsContact C-N 3.33Å; I296-Q298 PolarHBondContact O-N 2.98Å; I296-R304 WeakPolarHBondContact O-CD 3.31Å; I296-R304 VanDerWaalsContact O-CG 3.28Å; I296-R304 WeakPolarHBondContact O-CG 3.46Å; I296-I310 HydrophobicContact CD1-CD1 3.75Å; I296-I310 HydrophobicContact CD1-CG1 3.92Å; I296-I310 HydrophobicContact CD1-CG2 4.28Å; I296-I310 HydrophobicContact CG1-CD1 3.8Å; I296-I310 HydrophobicContact CG1-CG1 3.95Å
297	L	98.5	Very high	97.9	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	27%	0.265	C	S	.	.	S	Bend	trans	-83.6	57.2	180	-62.7	-177	0	0	0	111.1	W246 P261 F262 V277 Y279 I293	W246-L297 HydrophobicContact CD2-CD2 3.75Å; W246-L297 HydrophobicContact CE3-CB 4.39Å; W246-L297 HydrophobicContact CE3-CD2 3.79Å; W246-L297 HydrophobicContact CG-CD2 4.28Å; W246-L297 HydrophobicContact CH2-CD2 4.39Å; W246-L297 HydrophobicContact CZ2-CD2 4.35Å; W246-L297 HydrophobicContact CZ3-CB 4.07Å; W246-L297 HydrophobicContact CZ3-CD2 4.12Å; P261-L297 HydrophobicContact CB-CD1 4.32Å; P261-L297 HydrophobicContact CG-CD1 4.16Å; F262-L297 HydrophobicContact CE2-CD1 4.39Å; F262-L297 HydrophobicContact CZ-CD1 4.33Å; V277-L297 WeakPolarHBondContact CG1-O 3.43Å; Y279-L297 HydrophobicContact CE1-CB 4.06Å; Y279-L297 HydrophobicContact CE1-CD1 4.16Å; Y279-L297 HydrophobicContact CE2-CD1 4.08Å; I293-L297 HydrophobicContact CG2-CD1 3.71Å; I293-L297 HydrophobicContact CG2-CG 4.22Å; I293-L297 WeakPolarHBondContact O-CB 3.21Å; I293-L297 PolarHBondContact O-N 3.15Å
298	Q	98.4	Very high	98	Very high	73 Å²	73	46.2 Å²	46.2	34%	0.341	25%	0.251	S	S	.	.			trans	-91.4	144.8	173.5	-71.1	-65.7	-24.4	0	0	111.9	W246 S294 I296 D303 R304	W246-Q298 WeakPolarHBondContact CZ3-O 3.3Å; S294-Q298 PolarHBondContact O-NE2 3.16Å; I296-Q298 PolarHBondContact O-N 2.98Å; Q298-D303 HydrophobicContact CB-CB 4.08Å; Q298-D303 HydrophobicContact CG-CB 4.3Å; Q298-R304 HydrophobicContact CB-CG 3.92Å; Q298-R304 PolarHBondContact O-NE 3.13Å; Q298-R304 PolarHBondContact O-NH2 3.06Å; Q298-R304 VanDerWaalsContact O-NH2 3.16Å
299	K	96.9	Very high	98	Very high	115 Å²	115	50 Å²	50	50%	0.5	27%	0.266	S	S	.	.	S	Bend	trans	-63.5	-49.7	-177.2	-171.3	172.2	-178.2	173.7	0	111.9	K275 V277 R304	K275-K299 VanDerWaalsContact O-CE 3.32Å; K275-K299 WeakPolarHBondContact O-CE 3.48Å; V277-K299 HydrophobicContact CG2-CB 3.61Å; V277-K299 HydrophobicContact CG2-CD 4.42Å; V277-K299 HydrophobicContact CG2-CG 3.87Å; K299-R304 PolarHBondContact O-NH2 3.34Å
300	N	97.1	Very high	98.1	Very high	84 Å²	84	50.1 Å²	50.1	45%	0.449	27%	0.266	S	S	.	.	S	Bend	trans	-79.8	133.3	175.5	-52.5	-40	0	0	0	109	S302 D303	N300-S302 VanDerWaalsContact C-N 3.28Å; N300-S302 PolarHBondContact O-N 3.33Å; N300-D303 HydrophobicContact CB-CB 4.38Å; N300-D303 WeakPolarHBondContact CB-OD2 3.48Å; N300-D303 PolarHBondContact ND2-OD2 3.44Å; N300-D303 PolarHBondContact O-N 3.14Å
301	P	96.7	Very high	98	Very high	36 Å²	36	49.9 Å²	49.9	23%	0.234	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-61.5	-33	179.5	-25.9	35.8	0	0	0	114.2	E232 E242 D303 R304	E232-P301 HydrophobicContact CB-CG 3.96Å; E232-P301 HydrophobicContact CG-CG 3.89Å; E242-P301 HydrophobicContact CB-CB 3.66Å; E242-P301 HydrophobicContact CG-CB 3.94Å; P301-D303 VanDerWaalsContact C-N 3.28Å; P301-D303 PolarHBondContact O-N 2.95Å; P301-R304 PolarHBondContact O-N 3.21Å
302	S	96.5	Very high	98	Very high	101 Å²	101	49.9 Å²	49.9	71%	0.706	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-64.1	-27.4	178.8	48.2	0	0	0	0	114.5	N300 R304	N300-S302 VanDerWaalsContact C-N 3.28Å; N300-S302 PolarHBondContact O-N 3.33Å; S302-R304 VanDerWaalsContact C-N 3.3Å
303	D	97.9	Very high	98	Very high	84 Å²	84	51 Å²	51	45%	0.449	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-90.3	-5	-170.3	-53.3	-2.2	0	0	0	110.9	Q298 N300 P301	Q298-D303 HydrophobicContact CB-CB 4.08Å; Q298-D303 HydrophobicContact CG-CB 4.3Å; N300-D303 HydrophobicContact CB-CB 4.38Å; N300-D303 WeakPolarHBondContact CB-OD2 3.48Å; N300-D303 PolarHBondContact ND2-OD2 3.44Å; N300-D303 PolarHBondContact O-N 3.14Å; P301-D303 VanDerWaalsContact C-N 3.28Å; P301-D303 PolarHBondContact O-N 2.95Å
304	R	98.4	Very high	97.9	Very high	13 Å²	13	54.6 Å²	54.6	5%	0.049	29%	0.294	C	S	.	.	S	Bend	trans	-76.9	138.3	177.7	-56.7	-177.6	-173.4	144.2	12.4	110.1	E232 E242 V245 I296 Q298 K299 P301 S302 T306	E232-R304 IonicContact OE1-CZ 3.05Å; E232-R304 IonicContact OE1-NH1 2.67Å; E232-R304 PolarHBondContact OE1-NH1 3.4Å; E232-R304 IonicContact OE1-NH2 3.4Å; E232-R304 IonicContact OE2-CZ 2.64Å; E232-R304 IonicContact OE2-NH1 2.63Å; E232-R304 PolarHBondContact OE2-NH1 3.08Å; E232-R304 IonicContact OE2-NH2 3.84Å; E232-R304 PolarHBondContact OE2-NH2 3.08Å; E242-R304 PolarHBondContact O-NH1 3.49Å; V245-R304 HydrophobicContact CG1-CB 4.21Å; I296-R304 WeakPolarHBondContact O-CD 3.31Å; I296-R304 VanDerWaalsContact O-CG 3.28Å; I296-R304 WeakPolarHBondContact O-CG 3.46Å; Q298-R304 HydrophobicContact CB-CG 3.92Å; Q298-R304 PolarHBondContact O-NE 3.13Å; Q298-R304 PolarHBondContact O-NH2 3.06Å; Q298-R304 VanDerWaalsContact O-NH2 3.16Å; K299-R304 PolarHBondContact O-NH2 3.34Å; P301-R304 PolarHBondContact O-N 3.21Å; S302-R304 VanDerWaalsContact C-N 3.3Å; R304-T306 PolarHBondContact O-N 2.79Å
305	L	98.3	Very high	97.9	Very high	36 Å²	36	52.9 Å²	52.9	19%	0.188	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-58.6	134.1	172.2	-62.7	-177.9	0	0	0	111.7	V245 L292 S295 Q309 I310	V245-L305 WeakPolarHBondContact CG1-O 3.25Å; L292-L305 HydrophobicContact CD1-CD1 3.86Å; S295-L305 PolarHBondContact O-N 2.94Å; S295-L305 VanDerWaalsContact O-N 3.16Å; L305-Q309 HydrophobicContact CB-CB 4.03Å; L305-Q309 HydrophobicContact CD2-CB 4.11Å; L305-Q309 HydrophobicContact CG-CB 4.49Å; L305-I310 HydrophobicContact CB-CD1 4.47Å; L305-I310 HydrophobicContact CB-CG1 3.71Å; L305-I310 HydrophobicContact CD1-CG1 4.49Å; L305-I310 WeakPolarHBondContact O-CD1 3.49Å
306	T	98.4	Very high	97.9	Very high	74 Å²	74	52.4 Å²	52.4	45%	0.454	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-63.8	159.5	168.8	61.1	0	0	0	0	111.4	R304 D308 Q309 I310	R304-T306 PolarHBondContact O-N 2.79Å; T306-D308 PolarHBondContact O-N 2.97Å; T306-D308 VanDerWaalsContact O-N 3.1Å; T306-Q309 PolarHBondContact O-N 3Å; T306-Q309 VanDerWaalsContact OG1-CD 3.27Å; T306-Q309 WeakPolarHBondContact OG1-CG 3.2Å; T306-Q309 PolarHBondContact OG1-N 2.85Å; T306-Q309 PolarHBondContact OG1-OE1 3.29Å; T306-I310 WeakPolarHBondContact O-CG1 3.4Å; T306-I310 PolarHBondContact O-N 2.95Å
307	L	98.4	Very high	97.6	Very high	14 Å²	14	56.3 Å²	56.3	7%	0.073	30%	0.304	C	S	.	.	H	α-helix	trans	-53.4	-33.1	178.5	-68	179.3	0	0	0	113.8	I172 L175 K176 V245 L248 L311	I172-L307 HydrophobicContact CG1-CD2 4.28Å; I172-L307 HydrophobicContact CG2-CB 3.94Å; I172-L307 HydrophobicContact CG2-CD2 4.16Å; I172-L307 HydrophobicContact CG2-CG 4.48Å; L175-L307 HydrophobicContact CB-CD1 3.85Å; L175-L307 HydrophobicContact CD1-CD2 4.43Å; K176-L307 HydrophobicContact CB-CD1 4.45Å; K176-L307 HydrophobicContact CD-CB 4.25Å; K176-L307 HydrophobicContact CG-CB 3.86Å; K176-L307 HydrophobicContact CG-CD1 3.63Å; K176-L307 HydrophobicContact CG-CG 4.4Å; V245-L307 HydrophobicContact CG2-CD2 3.9Å; V245-L307 HydrophobicContact CG2-CG 4.19Å; L248-L307 HydrophobicContact CD2-CD2 3.93Å; L307-L311 WeakPolarHBondContact O-CG 3.19Å; L307-L311 PolarHBondContact O-N 3.2Å
308	D	98.1	Very high	97.2	Very high	75 Å²	75	63.8 Å²	63.8	40%	0.401	34%	0.336	S	S	.	.	H	α-helix	trans	-77.4	-39.9	175.5	-73.8	-64.3	0	0	0	113.2	K176 T306 I310 L311 N312	K176-D308 IonicContact NZ-OD1 2.74Å; K176-D308 PolarHBondContact NZ-OD1 3.06Å; K176-D308 IonicContact NZ-OD2 3.45Å; K176-D308 PolarHBondContact NZ-OD2 2.94Å; T306-D308 PolarHBondContact O-N 2.97Å; T306-D308 VanDerWaalsContact O-N 3.1Å; D308-I310 VanDerWaalsContact C-N 3.28Å; D308-I310 PolarHBondContact O-N 3.32Å; D308-L311 PolarHBondContact O-N 2.63Å; D308-N312 PolarHBondContact O-N 3.46Å; D308-N312 PolarHBondContact O-ND2 2.64Å; D308-N312 VanDerWaalsContact O-ND2 3.15Å
309	Q	98.4	Very high	96.8	Very high	99 Å²	99	61.4 Å²	61.4	46%	0.463	33%	0.331	S	S	.	.	H	α-helix	trans	-63.3	-36.1	173.1	-72.5	163.4	-42.7	0	0	111.6	L305 T306 N312 H313	L305-Q309 HydrophobicContact CB-CB 4.03Å; L305-Q309 HydrophobicContact CD2-CB 4.11Å; L305-Q309 HydrophobicContact CG-CB 4.49Å; T306-Q309 PolarHBondContact O-N 3Å; T306-Q309 VanDerWaalsContact OG1-CD 3.27Å; T306-Q309 WeakPolarHBondContact OG1-CG 3.2Å; T306-Q309 PolarHBondContact OG1-N 2.85Å; T306-Q309 PolarHBondContact OG1-OE1 3.29Å; Q309-N312 PolarHBondContact O-N 3.39Å; Q309-H313 PolarHBondContact O-N 2.94Å; Q309-H313 VanDerWaalsContact O-N 3.07Å
310	I	98.6	Very high	96.6	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-60	-49.1	172.7	-67.7	169.8	0	0	0	110.4	I172 V245 L248 L292 I296 L305 T306 D308 N312 H313 F316	I172-I310 HydrophobicContact CD1-CB 4.46Å; I172-I310 HydrophobicContact CD1-CG2 3.59Å; V245-I310 HydrophobicContact CG1-CD1 4.09Å; L248-I310 HydrophobicContact CD2-CD1 4.17Å; L292-I310 HydrophobicContact CD1-CG1 4.38Å; L292-I310 HydrophobicContact CD1-CG2 4.32Å; L292-I310 HydrophobicContact CD2-CG2 4.42Å; I296-I310 HydrophobicContact CD1-CD1 3.75Å; I296-I310 HydrophobicContact CD1-CG1 3.92Å; I296-I310 HydrophobicContact CD1-CG2 4.28Å; I296-I310 HydrophobicContact CG1-CD1 3.8Å; I296-I310 HydrophobicContact CG1-CG1 3.95Å; L305-I310 HydrophobicContact CB-CD1 4.47Å; L305-I310 HydrophobicContact CB-CG1 3.71Å; L305-I310 HydrophobicContact CD1-CG1 4.49Å; L305-I310 WeakPolarHBondContact O-CD1 3.49Å; T306-I310 WeakPolarHBondContact O-CG1 3.4Å; T306-I310 PolarHBondContact O-N 2.95Å; D308-I310 VanDerWaalsContact C-N 3.28Å; D308-I310 PolarHBondContact O-N 3.32Å; I310-N312 VanDerWaalsContact C-N 3.29Å; I310-N312 PolarHBondContact O-N 3.17Å; I310-H313 VanDerWaalsContact O-CB 3.28Å; I310-H313 WeakPolarHBondContact O-CB 3.32Å; I310-H313 PolarHBondContact O-N 3.2Å; I310-F316 HydrophobicContact CG2-CE2 3.83Å; I310-F316 WeakPolarHBondContact O-CD2 3.34Å; I310-F316 WeakPolarHBondContact O-CE2 3.19Å
311	L	97.8	Very high	96.4	Very high	49 Å²	49	56.3 Å²	56.3	26%	0.257	31%	0.307	S	S	.	.	H	α-helix	trans	-65	-30.4	179.2	-73.8	174.3	0	0	0	113.7	R169 I172 L307 D308 F316	R169-L311 HydrophobicContact CG-CD2 3.91Å; I172-L311 HydrophobicContact CB-CD2 4.36Å; I172-L311 HydrophobicContact CD1-CD2 3.77Å; I172-L311 HydrophobicContact CD1-CG 4.08Å; I172-L311 HydrophobicContact CG2-CD1 3.68Å; I172-L311 HydrophobicContact CG2-CD2 4.22Å; I172-L311 HydrophobicContact CG2-CG 3.84Å; L307-L311 WeakPolarHBondContact O-CG 3.19Å; L307-L311 PolarHBondContact O-N 3.2Å; D308-L311 PolarHBondContact O-N 2.63Å; L311-F316 WeakPolarHBondContact O-CB 3.42Å
312	N	97.5	Very high	96.2	Very high	122 Å²	122	55 Å²	55	65%	0.652	30%	0.299	S	S	*	.	H	α-helix	trans	-84.1	-9.4	177.7	-68.6	-33.8	0	0	0	113.4	D308 Q309 I310	D308-N312 PolarHBondContact O-N 3.46Å; D308-N312 PolarHBondContact O-ND2 2.64Å; D308-N312 VanDerWaalsContact O-ND2 3.15Å; Q309-N312 PolarHBondContact O-N 3.39Å; I310-N312 VanDerWaalsContact C-N 3.29Å; I310-N312 PolarHBondContact O-N 3.17Å
313	H	98.4	Very high	96	Very high	24 Å²	24	57.4 Å²	57.4	11%	0.111	30%	0.304	C	S	.	.	S	Bend	trans	-61.2	149.2	-179	-168.8	-99	0	0	0	112.4	A288 L292 Q309 I310 F315 F316 S317	A288-H313 PolarHBondContact O-CE1 2.79Å; A288-H313 VanDerWaalsContact O-CE1 3.28Å; L292-H313 HydrophobicContact CD1-CB 3.93Å; L292-H313 HydrophobicContact CD2-CB 4.43Å; Q309-H313 PolarHBondContact O-N 2.94Å; Q309-H313 VanDerWaalsContact O-N 3.07Å; I310-H313 VanDerWaalsContact O-CB 3.28Å; I310-H313 WeakPolarHBondContact O-CB 3.32Å; I310-H313 PolarHBondContact O-N 3.2Å; H313-F315 PolarHBondContact ND1-N 3.09Å; H313-F315 PolarHBondContact O-N 3.45Å; H313-F316 PolarHBondContact O-N 3.37Å; H313-S317 PolarHBondContact O-N 2.81Å; H313-S317 PolarHBondContact O-OG 2.8Å
314	E	96.9	Very high	95.7	Very high	74 Å²	74	60.6 Å²	60.6	35%	0.346	31%	0.313	S	S	.	.	H	α-helix	trans	-46.5	-39.1	-179.3	173.3	164	-158.8	0	0	113.8	A288 F316 S317 K318	A288-E314 HydrophobicContact CB-CG 4.1Å; E314-F316 VanDerWaalsContact C-N 3.3Å; E314-F316 PolarHBondContact O-N 3.21Å; E314-S317 WeakPolarHBondContact CA-OG 3.48Å; E314-S317 PolarHBondContact O-N 3.06Å; E314-K318 HydrophobicContact CG-CB 4.44Å; E314-K318 HydrophobicContact CG-CD 3.77Å; E314-K318 HydrophobicContact CG-CG 4.07Å; E314-K318 WeakPolarHBondContact O-CB 3.39Å; E314-K318 PolarHBondContact O-N 3.11Å; E314-K318 WeakPolarHBondContact OE1-CD 3.3Å; E314-K318 VanDerWaalsContact OE1-CE 3.26Å; E314-K318 WeakPolarHBondContact OE1-CE 3.19Å; E314-K318 IonicContact OE1-NZ 3.77Å; E314-K318 PolarHBondContact OE1-NZ 3.24Å
315	F	97.9	Very high	95.4	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-48.9	-49.1	174.7	178.3	-115.9	0	0	0	112.2	E161 V164 R165 L168 M252 M256 A288 A289 L292 H313 G319	E161-F315 HydrophobicContact CB-CE2 3.97Å; E161-F315 HydrophobicContact CB-CZ 4.4Å; E161-F315 HydrophobicContact CG-CE2 4.1Å; V164-F315 HydrophobicContact CG1-CZ 4.36Å; R165-F315 HydrophobicContact CB-CE1 4.5Å; R165-F315 WeakPolarHBondContact CD-O 3.41Å; R165-F315 HydrophobicContact CG-CD1 3.74Å; R165-F315 HydrophobicContact CG-CE1 3.14Å; R165-F315 HydrophobicContact CG-CE2 4.03Å; R165-F315 HydrophobicContact CG-CG 4.42Å; R165-F315 HydrophobicContact CG-CZ 3.28Å; R165-F315 PolarHBondContact NE-O 3Å; L168-F315 HydrophobicContact CD1-CE1 4.31Å; M252-F315 HydrophobicContact CE-CD1 3.96Å; M252-F315 HydrophobicContact CE-CE1 3.67Å; M252-F315 HydrophobicContact CE-CE2 4.3Å; M252-F315 HydrophobicContact CE-CG 4.36Å; M252-F315 HydrophobicContact CE-CZ 3.88Å; M256-F315 HydrophobicContact CE-CD2 4.49Å; M256-F315 HydrophobicContact CE-CE1 4.1Å; M256-F315 HydrophobicContact CE-CE2 3.4Å; M256-F315 HydrophobicContact CE-CZ 3.14Å; A288-F315 HydrophobicContact CB-CB 4.45Å; A289-F315 HydrophobicContact CB-CD2 4.06Å; A289-F315 HydrophobicContact CB-CE2 4.02Å; L292-F315 HydrophobicContact CB-CB 4.48Å; L292-F315 HydrophobicContact CD2-CB 3.89Å; L292-F315 HydrophobicContact CD2-CD1 3.47Å; L292-F315 VanDerWaalsContact CD2-CD1 3.47Å; L292-F315 HydrophobicContact CD2-CE1 4.31Å; L292-F315 HydrophobicContact CD2-CG 3.97Å; H313-F315 PolarHBondContact ND1-N 3.09Å; H313-F315 PolarHBondContact O-N 3.45Å; F315-G319 PolarHBondContact O-N 3.18Å
316	F	97.3	Very high	94.8	Very high	18 Å²	18	61.1 Å²	61.1	8%	0.079	32%	0.32	C	S	.	.	H	α-helix	trans	-82.6	-40.1	178	-68.4	-83.4	0	0	0	113.3	R165 L168 R169 I172 L292 I310 L311 H313 E314	R165-F316 HydrophobicContact CB-CD1 3.98Å; R165-F316 HydrophobicContact CB-CE1 3.95Å; R165-F316 HydrophobicContact CG-CD1 3.78Å; R165-F316 HydrophobicContact CG-CE1 3.81Å; R165-F316 HydrophobicContact CG-CG 4.5Å; L168-F316 HydrophobicContact CB-CE1 4.12Å; L168-F316 HydrophobicContact CB-CZ 3.78Å; L168-F316 HydrophobicContact CD1-CZ 4.08Å; R169-F316 HydrophobicContact CG-CD1 3.88Å; R169-F316 HydrophobicContact CG-CE1 3.77Å; I172-F316 HydrophobicContact CD1-CZ 4.25Å; L292-F316 HydrophobicContact CD2-CD2 4.24Å; L292-F316 HydrophobicContact CD2-CE2 3.77Å; I310-F316 HydrophobicContact CG2-CE2 3.83Å; I310-F316 WeakPolarHBondContact O-CD2 3.34Å; I310-F316 WeakPolarHBondContact O-CE2 3.19Å; L311-F316 WeakPolarHBondContact O-CB 3.42Å; H313-F316 PolarHBondContact O-N 3.37Å; E314-F316 VanDerWaalsContact C-N 3.3Å; E314-F316 PolarHBondContact O-N 3.21Å
317	S	93.1	Very high	94.3	Very high	84 Å²	84	61 Å²	61	59%	0.587	32%	0.321	S	S	*	.	H	α-helix	trans	-77.1	-28.7	-171.3	54.3	0	0	0	0	114.1	H313 E314	H313-S317 PolarHBondContact O-N 2.81Å; H313-S317 PolarHBondContact O-OG 2.8Å; E314-S317 WeakPolarHBondContact CA-OG 3.48Å; E314-S317 PolarHBondContact O-N 3.06Å
318	K	91.1	Very high	93.5	Very high	159 Å²	159	62.5 Å²	62.5	69%	0.691	33%	0.332	S	S	*	.	H	α-helix	trans	-99.8	-19.3	174.1	-57.8	-169.1	-165.5	169.3	0	113.8	E314	E314-K318 HydrophobicContact CG-CB 4.44Å; E314-K318 HydrophobicContact CG-CD 3.77Å; E314-K318 HydrophobicContact CG-CG 4.07Å; E314-K318 WeakPolarHBondContact O-CB 3.39Å; E314-K318 PolarHBondContact O-N 3.11Å; E314-K318 WeakPolarHBondContact OE1-CD 3.3Å; E314-K318 VanDerWaalsContact OE1-CE 3.26Å; E314-K318 WeakPolarHBondContact OE1-CE 3.19Å; E314-K318 IonicContact OE1-NZ 3.77Å; E314-K318 PolarHBondContact OE1-NZ 3.24Å
319	G	89.1	Confident	93	Very high	23 Å²	23	59 Å²	59	24%	0.237	31%	0.313	C	S	.	.	S	Bend	trans	-82.6	131.3	-177.1	0	0	0	0	0	114.5	R165 F315 T321	R165-G319 PolarHBondContact NH1-O 2.76Å; F315-G319 PolarHBondContact O-N 3.18Å; G319-T321 PolarHBondContact O-N 3.24Å; G319-T321 VanDerWaalsContact O-N 3.08Å; G319-T321 PolarHBondContact O-OG1 3.39Å
320	F	91.8	Very high	92	Very high	68 Å²	68	55.3 Å²	55.3	30%	0.298	30%	0.298	S	S	.	.			trans	-61	112.4	172.3	165.2	-112.2	0	0	0	111.1	P162 R165 P322 L336 P338 P339	P162-F320 WeakPolarHBondContact CB-O 3.33Å; R165-F320 VanDerWaalsContact CZ-O 3.31Å; R165-F320 PolarHBondContact NH1-O 2.79Å; R165-F320 PolarHBondContact NH2-O 3.47Å; F320-P322 HydrophobicContact CE1-CB 4.4Å; F320-P322 HydrophobicContact CZ-CB 4.11Å; F320-L336 HydrophobicContact CE1-CB 4.28Å; F320-P338 HydrophobicContact CB-CB 4.04Å; F320-P338 HydrophobicContact CD1-CB 3.97Å; F320-P338 HydrophobicContact CD2-CB 4.19Å; F320-P338 HydrophobicContact CG-CB 3.76Å; F320-P339 HydrophobicContact CE2-CG 4.3Å
321	T	93.6	Very high	90.9	Very high	23 Å²	23	59.5 Å²	59.5	14%	0.141	32%	0.324	C	S	.	.			trans	-105.3	126.1	175.7	-50.9	0	0	0	0	109.3	R165 G319	R165-T321 HydrophobicContact CB-CG2 4.09Å; R165-T321 PolarHBondContact NH1-OG1 3.43Å; G319-T321 PolarHBondContact O-N 3.24Å; G319-T321 VanDerWaalsContact O-N 3.08Å; G319-T321 PolarHBondContact O-OG1 3.39Å
322	P	92.8	Very high	89.6	Confident	10 Å²	10	62 Å²	62	7%	0.065	34%	0.335	C	S	.	.			trans	-72.9	149.6	176.5	31.5	-35.6	0	0	0	111.1	P162 Y166 F320 L325 L336	P162-P322 WeakPolarHBondContact O-CD 3.19Å; Y166-P322 VanDerWaalsContact CD2-O 3.31Å; Y166-P322 WeakPolarHBondContact CD2-O 3.44Å; F320-P322 HydrophobicContact CE1-CB 4.4Å; F320-P322 HydrophobicContact CZ-CB 4.11Å; P322-L325 HydrophobicContact CB-CD2 4.5Å; P322-L325 HydrophobicContact CG-CD2 3.72Å; P322-L336 HydrophobicContact CB-CD2 4.32Å; P322-L336 HydrophobicContact CG-CD1 4.23Å; P322-L336 HydrophobicContact CG-CD2 4.47Å
323	D	91.4	Very high	88.7	Confident	151 Å²	151	60.7 Å²	60.7	81%	0.807	33%	0.332	S	S	*	.	S	Bend	trans	-76.9	-25.1	175.9	-64.6	-47.2	0	0	0	112.7
324	K	92	Very high	87.6	Confident	150 Å²	150	60 Å²	60	65%	0.652	33%	0.33	S	S	*	.			trans	-148.2	148.3	175.4	-65.1	-171	178.1	-172.9	0	109.8
325	L	92.1	Very high	86.5	Confident	10 Å²	10	64.7 Å²	64.7	5%	0.052	35%	0.352	C	S	.	.			trans	-98.2	147.6	166.5	-68.1	178.5	0	0	0	110.6	E163 Y166 Y167 M199 P322 L336	E163-L325 HydrophobicContact CB-CD1 4.21Å; E163-L325 HydrophobicContact CG-CD1 3.98Å; E163-L325 HydrophobicContact CG-CD2 3.9Å; Y166-L325 HydrophobicContact CD1-CB 4.5Å; Y166-L325 HydrophobicContact CD1-CD1 3.35Å; Y166-L325 HydrophobicContact CD1-CG 3.58Å; Y166-L325 HydrophobicContact CE1-CB 4.22Å; Y166-L325 HydrophobicContact CE1-CD1 3.76Å; Y166-L325 HydrophobicContact CE1-CG 3.78Å; Y166-L325 HydrophobicContact CG-CD1 4.09Å; Y166-L325 HydrophobicContact CG-CG 3.99Å; Y167-L325 HydrophobicContact CD2-CD1 4.48Å; Y167-L325 HydrophobicContact CE1-CD1 4.37Å; Y167-L325 HydrophobicContact CE2-CD1 3.67Å; M199-L325 HydrophobicContact CB-CB 4.33Å; M199-L325 HydrophobicContact CE-CB 4.04Å; M199-L325 WeakPolarHBondContact CG-O 3.43Å; P322-L325 HydrophobicContact CB-CD2 4.5Å; P322-L325 HydrophobicContact CG-CD2 3.72Å; L325-L336 HydrophobicContact CD2-CD1 3.97Å; L325-L336 HydrophobicContact CD2-CD2 4.12Å
326	P	87.1	Confident	85.5	Confident	51 Å²	51	66.5 Å²	66.5	33%	0.331	36%	0.361	S	S	.	.			trans	-70.9	152.1	171.2	30.9	-35.3	0	0	0	111.1	S328 S329 P334	P326-S328 PolarHBondContact O-N 3.48Å; P326-S328 VanDerWaalsContact O-N 3.07Å; P326-S329 WeakPolarHBondContact CD-OG 3.32Å; P326-S329 WeakPolarHBondContact O-CB 3.33Å; P326-S329 PolarHBondContact O-N 3.03Å; P326-S329 PolarHBondContact O-OG 3.38Å; P326-P334 HydrophobicContact CG-CB 4.06Å
327	P	85.9	Confident	84	Confident	72 Å²	72	72.7 Å²	72.7	47%	0.468	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-50.5	-30.1	172.7	-33.6	40	0	0	0	115.4	S329 C330	P327-S329 PolarHBondContact O-N 3.36Å; P327-C330 PolarHBondContact O-N 2.85Å
328	S	82.6	Confident	82.5	Confident	45 Å²	45	72.7 Å²	72.7	32%	0.315	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-64.4	-24.9	178.2	50.7	0	0	0	0	113.4	P326 C330 V331 M332	P326-S328 PolarHBondContact O-N 3.48Å; P326-S328 VanDerWaalsContact O-N 3.07Å; S328-C330 PolarHBondContact O-N 2.88Å; S328-V331 PolarHBondContact O-N 2.99Å; S328-M332 VanDerWaalsContact O-CG 3.27Å; S328-M332 WeakPolarHBondContact O-CG 3.21Å; S328-M332 PolarHBondContact O-N 3.3Å
329	S	87.4	Confident	80.6	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-57.3	-18.6	175.3	-61	0	0	0	0	113.8	R156 P326 P327 V331 M332 P334	R156-S329 PolarHBondContact NH1-O 2.92Å; P326-S329 WeakPolarHBondContact CD-OG 3.32Å; P326-S329 WeakPolarHBondContact O-CB 3.33Å; P326-S329 PolarHBondContact O-N 3.03Å; P326-S329 PolarHBondContact O-OG 3.38Å; P327-S329 PolarHBondContact O-N 3.36Å; S329-V331 PolarHBondContact O-N 2.85Å; S329-M332 WeakPolarHBondContact CA-O 3.48Å; S329-P334 WeakPolarHBondContact OG-CB 3.31Å; S329-P334 WeakPolarHBondContact OG-CG 3.33Å
330	C	77.3	Confident	78.6	Confident	22 Å²	22	69.8 Å²	69.8	15%	0.149	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-62.5	-26	172.5	-69.9	0	0	0	0	114	I152 M199 P327 S328	I152-C330 HydrophobicContact CD1-CB 4.46Å; I152-C330 HydrophobicContact CG1-CB 4.25Å; M199-C330 VanDerWaalsContact SD-SG 3.64Å; P327-C330 PolarHBondContact O-N 2.85Å; S328-C330 PolarHBondContact O-N 2.88Å
331	V	75.6	Confident	76.5	Confident	91 Å²	91	72 Å²	72	55%	0.552	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.8	-26.5	-170.7	-63.6	0	0	0	0	114.4	E155 R156 S328 S329	E155-V331 HydrophobicContact CG-CG1 4.49Å; R156-V331 WeakPolarHBondContact CD-O 3.14Å; S328-V331 PolarHBondContact O-N 2.99Å; S329-V331 PolarHBondContact O-N 2.85Å
332	M	70	Confident	74	Confident	100 Å²	100	73.2 Å²	73.2	49%	0.493	42%	0.416	S	S	.	.	S	Bend	trans	-128.1	158.2	178.9	57.5	176.5	64.3	0	0	111.8	R156 S328 S329	R156-M332 PolarHBondContact NH1-O 3.35Å; S328-M332 VanDerWaalsContact O-CG 3.27Å; S328-M332 WeakPolarHBondContact O-CG 3.21Å; S328-M332 PolarHBondContact O-N 3.3Å; S329-M332 WeakPolarHBondContact CA-O 3.48Å
333	V	79	Confident	71.4	Confident	95 Å²	95	79.2 Å²	79.2	58%	0.576	44%	0.441	S	S	*	.			trans	-67.7	126.5	176	-177.4	0	0	0	0	109.4	T160	T160-V333 HydrophobicContact CG2-CG1 3.69Å
334	P	75.6	Confident	69.1	Low	11 Å²	11	79.6 Å²	79.6	7%	0.071	44%	0.436	C	S	.	.			trans	-79.2	137.8	-179.7	30.6	-34.4	0	0	0	112.7	E163 P326 S329 L336	E163-P334 VanDerWaalsContact CD-CD 3.42Å; E163-P334 VanDerWaalsContact CD-CG 3.45Å; E163-P334 HydrophobicContact CG-CG 3.8Å; E163-P334 VanDerWaalsContact OE1-CD 3.24Å; E163-P334 WeakPolarHBondContact OE1-CD 3.46Å; E163-P334 WeakPolarHBondContact OE1-CG 3.18Å; P326-P334 HydrophobicContact CG-CB 4.06Å; S329-P334 WeakPolarHBondContact OG-CB 3.31Å; S329-P334 WeakPolarHBondContact OG-CG 3.33Å; P334-L336 HydrophobicContact CB-CD1 4.4Å; P334-L336 HydrophobicContact CB-CD2 4.08Å; P334-L336 HydrophobicContact CB-CG 3.89Å; P334-L336 HydrophobicContact CG-CD1 3.79Å; P334-L336 HydrophobicContact CG-CD2 4.34Å; P334-L336 HydrophobicContact CG-CG 3.81Å; P334-L336 PolarHBondContact O-N 3.39Å
335	E	73.8	Confident	66.6	Low	172 Å²	172	80 Å²	80	80%	0.804	44%	0.438	S	S	*	.			trans	-72	91.5	167.1	-69.6	178.1	-173.8	0	0	110.3	H337	E335-H337 PolarHBondContact O-N 2.83Å
336	L	77.4	Confident	63.9	Low	41 Å²	41	86.1 Å²	86.1	22%	0.215	46%	0.464	C	S	.	.			trans	-99.6	82.8	-177.3	-66.4	179.8	0	0	0	111	P162 E163 F320 P322 L325 P334 P338	P162-L336 HydrophobicContact CB-CD1 3.68Å; P162-L336 HydrophobicContact CG-CD1 4.39Å; E163-L336 HydrophobicContact CG-CD1 4.12Å; F320-L336 HydrophobicContact CE1-CB 4.28Å; P322-L336 HydrophobicContact CB-CD2 4.32Å; P322-L336 HydrophobicContact CG-CD1 4.23Å; P322-L336 HydrophobicContact CG-CD2 4.47Å; L325-L336 HydrophobicContact CD2-CD1 3.97Å; L325-L336 HydrophobicContact CD2-CD2 4.12Å; P334-L336 HydrophobicContact CB-CD1 4.4Å; P334-L336 HydrophobicContact CB-CD2 4.08Å; P334-L336 HydrophobicContact CB-CG 3.89Å; P334-L336 HydrophobicContact CG-CD1 3.79Å; P334-L336 HydrophobicContact CG-CD2 4.34Å; P334-L336 HydrophobicContact CG-CG 3.81Å; P334-L336 PolarHBondContact O-N 3.39Å; L336-P338 VanDerWaalsContact O-CD 3.3Å; L336-P338 WeakPolarHBondContact O-CD 3.45Å
337	H	64.8	Low	61.7	Low	149 Å²	149	87.4 Å²	87.4	69%	0.69	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-69.9	118.2	172.4	-58.9	-62.6	0	0	0	110.8	E335	E335-H337 PolarHBondContact O-N 2.83Å
338	P	61.9	Low	59.5	Low	84 Å²	84	92.6 Å²	92.6	55%	0.545	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-61.2	136.7	168.7	26.6	-33.1	0	0	0	108.9	F320 L336 S340	F320-P338 HydrophobicContact CB-CB 4.04Å; F320-P338 HydrophobicContact CD1-CB 3.97Å; F320-P338 HydrophobicContact CD2-CB 4.19Å; F320-P338 HydrophobicContact CG-CB 3.76Å; L336-P338 VanDerWaalsContact O-CD 3.3Å; L336-P338 WeakPolarHBondContact O-CD 3.45Å; P338-S340 PolarHBondContact O-N 2.88Å; P338-S340 VanDerWaalsContact O-N 3.12Å
339	P	51.6	Low	57.2	Low	69 Å²	69	95.9 Å²	95.9	45%	0.448	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-62.7	120.5	177.5	25.5	-32.7	0	0	0	108.8	F320	F320-P339 HydrophobicContact CE2-CG 4.3Å
340	S	47.9	Very low	54.7	Low	51 Å²	51	98.5 Å²	98.5	36%	0.357	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-55.5	145.5	178.9	67.1	0	0	0	0	110.3	P338 A342 K343	P338-S340 PolarHBondContact O-N 2.88Å; P338-S340 VanDerWaalsContact O-N 3.12Å; S340-A342 PolarHBondContact O-N 3.04Å; S340-A342 VanDerWaalsContact O-N 3.11Å; S340-K343 WeakPolarHBondContact O-CB 3.19Å; S340-K343 PolarHBondContact O-N 3.07Å; S340-K343 WeakPolarHBondContact OG-CG 3.24Å; S340-K343 PolarHBondContact OG-N 3.44Å
341	P	47.7	Very low	53	Low	114 Å²	114	106.3 Å²	106.3	74%	0.74	55%	0.551	S	S	*	*	H	α-helix	trans	-52.2	-37.8	178	-28.3	35.5	0	0	0	112.3	K343 K344	P341-K343 PolarHBondContact O-N 3.41Å; P341-K344 PolarHBondContact O-N 3.35Å
342	A	39.4	Very low	51.2	Low	50 Å²	50	106.3 Å²	106.3	41%	0.413	56%	0.555	S	S	.	*	H	α-helix	trans	-59.4	-39.9	173.7	0	0	0	0	0	113.6	S340 K344 F345 F346	S340-A342 PolarHBondContact O-N 3.04Å; S340-A342 VanDerWaalsContact O-N 3.11Å; A342-K344 PolarHBondContact O-N 2.64Å; A342-F345 WeakPolarHBondContact O-CB 3.12Å; A342-F345 PolarHBondContact O-N 3.03Å; A342-F346 HydrophobicContact CB-CD2 4.27Å; A342-F346 HydrophobicContact CB-CE2 4.4Å; A342-F346 WeakPolarHBondContact O-CD2 3.38Å; A342-F346 PolarHBondContact O-N 3.28Å
343	K	38.4	Very low	49.5	Very low	135 Å²	135	109.1 Å²	109.1	59%	0.587	57%	0.565	S	S	*	*	H	α-helix	trans	-61.5	-29.3	179.5	-85.9	178.8	177.9	177.6	0	112.7	S340 P341 T347	S340-K343 WeakPolarHBondContact O-CB 3.19Å; S340-K343 PolarHBondContact O-N 3.07Å; S340-K343 WeakPolarHBondContact OG-CG 3.24Å; S340-K343 PolarHBondContact OG-N 3.44Å; P341-K343 PolarHBondContact O-N 3.41Å; K343-T347 VanDerWaalsContact O-CB 3.3Å; K343-T347 WeakPolarHBondContact O-CB 3.47Å; K343-T347 PolarHBondContact O-N 3.02Å; K343-T347 PolarHBondContact O-OG1 2.95Å
344	K	42.7	Very low	47.6	Very low	159 Å²	159	113.8 Å²	113.8	69%	0.691	58%	0.578	S	S	*	*	H	α-helix	trans	-68.4	-35.2	173.8	-74.8	-172.6	177.6	179.8	0	112.6	P341 A342	P341-K344 PolarHBondContact O-N 3.35Å; A342-K344 PolarHBondContact O-N 2.64Å
345	F	39.8	Very low	45.5	Very low	159 Å²	159	116.6 Å²	116.6	70%	0.697	61%	0.608	S	S	*	*	H	α-helix	trans	-70.4	-51.7	171.7	-88.8	-94.3	0	0	0	111.6	A342 T347 K348 M349	A342-F345 WeakPolarHBondContact O-CB 3.12Å; A342-F345 PolarHBondContact O-N 3.03Å; F345-T347 VanDerWaalsContact C-N 3.35Å; F345-T347 PolarHBondContact O-N 3.24Å; F345-K348 WeakPolarHBondContact O-CB 3.42Å; F345-K348 PolarHBondContact O-N 3.28Å; F345-K348 VanDerWaalsContact O-N 3.09Å; F345-M349 PolarHBondContact O-N 3.28Å
346	F	36.9	Very low	43.5	Very low	138 Å²	138	117.8 Å²	117.8	61%	0.605	61%	0.611	S	S	*	*	H	α-helix	trans	-63.5	-34.5	-178.6	-80	-72.7	0	0	0	113.6	A342 K348 M349 A350	A342-F346 HydrophobicContact CB-CD2 4.27Å; A342-F346 HydrophobicContact CB-CE2 4.4Å; A342-F346 WeakPolarHBondContact O-CD2 3.38Å; A342-F346 PolarHBondContact O-N 3.28Å; F346-K348 PolarHBondContact O-N 2.81Å; F346-M349 PolarHBondContact O-N 3.21Å; F346-A350 VanDerWaalsContact O-CB 3.28Å; F346-A350 WeakPolarHBondContact O-CB 3.41Å; F346-A350 PolarHBondContact O-N 3.5Å
347	T	40.3	Very low	41.2	Very low	79 Å²	79	125.9 Å²	125.9	49%	0.485	64%	0.644	S	S	.	*	H	α-helix	trans	-67	-27.1	176.8	-52.7	0	0	0	0	112.2	K343 F345	K343-T347 VanDerWaalsContact O-CB 3.3Å; K343-T347 WeakPolarHBondContact O-CB 3.47Å; K343-T347 PolarHBondContact O-N 3.02Å; K343-T347 PolarHBondContact O-OG1 2.95Å; F345-T347 VanDerWaalsContact C-N 3.35Å; F345-T347 PolarHBondContact O-N 3.24Å
348	K	39.5	Very low	39.6	Very low	180 Å²	180	128.9 Å²	128.9	78%	0.783	66%	0.656	S	S	*	*	H	α-helix	trans	-77	-35.6	175.4	-157.9	174.6	-177.3	-177	0	111.7	F345 F346	F345-K348 WeakPolarHBondContact O-CB 3.42Å; F345-K348 PolarHBondContact O-N 3.28Å; F345-K348 VanDerWaalsContact O-N 3.09Å; F346-K348 PolarHBondContact O-N 2.81Å
349	M	33.9	Very low	37.9	Very low	115 Å²	115	129.9 Å²	129.9	57%	0.567	67%	0.671	S	S	*	*	H	α-helix	trans	-73	-45.5	171.8	-72.2	-174.3	176.2	0	0	113.1	F345 F346 K351 S352 F353	F345-M349 PolarHBondContact O-N 3.28Å; F346-M349 PolarHBondContact O-N 3.21Å; M349-K351 VanDerWaalsContact C-N 3.28Å; M349-K351 PolarHBondContact O-N 2.97Å; M349-S352 WeakPolarHBondContact O-CA 3.22Å; M349-S352 VanDerWaalsContact O-CB 3.3Å; M349-S352 WeakPolarHBondContact O-CB 3.11Å; M349-S352 PolarHBondContact O-N 2.96Å; M349-F353 PolarHBondContact O-N 2.82Å
350	A	35.6	Very low	36.9	Very low	54 Å²	54	136.3 Å²	136.3	45%	0.446	69%	0.692	S	S	.	*	H	α-helix	trans	-61.7	-34.7	-174.1	0	0	0	0	0	113	F346 S352 F353 F354	F346-A350 VanDerWaalsContact O-CB 3.28Å; F346-A350 WeakPolarHBondContact O-CB 3.41Å; F346-A350 PolarHBondContact O-N 3.5Å; A350-S352 PolarHBondContact O-N 3.46Å; A350-F353 PolarHBondContact O-N 3.07Å; A350-F354 PolarHBondContact O-N 3.19Å
351	K	40.8	Very low	35.9	Very low	186 Å²	186	138.7 Å²	138.7	81%	0.809	72%	0.715	S	S	*	*	H	α-helix	trans	-66.2	-14.4	172.2	-77.4	-173	174.5	-175	0	114.3	M349	M349-K351 VanDerWaalsContact C-N 3.28Å; M349-K351 PolarHBondContact O-N 2.97Å
352	S	38.9	Very low	34.9	Very low	91 Å²	91	142.4 Å²	142.4	64%	0.636	72%	0.722	S	S	*	*	H	α-helix	trans	-97	-13.4	177.4	-165.7	0	0	0	0	113.9	M349 A350	M349-S352 WeakPolarHBondContact O-CA 3.22Å; M349-S352 VanDerWaalsContact O-CB 3.3Å; M349-S352 WeakPolarHBondContact O-CB 3.11Å; M349-S352 PolarHBondContact O-N 2.96Å; A350-S352 PolarHBondContact O-N 3.46Å
353	F	34.6	Very low	34.3	Very low	159 Å²	159	148 Å²	148	70%	0.697	74%	0.737	S	S	*	*	H	α-helix	trans	-124.7	-25.9	-167.7	-81.4	-79.3	0	0	0	116.3	M349 A350	M349-F353 PolarHBondContact O-N 2.82Å; A350-F353 PolarHBondContact O-N 3.07Å
354	F	38.2	Very low	33.7	Very low	194 Å²	194	149.3 Å²	149.3	85%	0.851	75%	0.749	S	S	*	*			trans	-109.8	75.4	-175	-80.2	-83.1	0	0	0	114.4	A350	A350-F354 PolarHBondContact O-N 3.19Å
355	G	32.1	Very low	33.1	Very low	69 Å²	69	146.8 Å²	146.8	71%	0.711	75%	0.749	S	S	*	*			trans	-90.2	124.7	160.4	0	0	0	0	0	112.1
356	K	31.8	Very low	32.4	Very low	198 Å²	198	145.4 Å²	145.4	86%	0.861	76%	0.758	S	S	*	*			trans	65	104.3	160.6	-56.9	177	177.5	174.8	0	119.1
357	K	28.9	Very low	32.2	Very low	210 Å²	210	147.1 Å²	147.1	91%	0.913	77%	0.767	S	S	*	*				164.1	151.2	106.2	-92.4	177.9	176.7	179.7	0	112.1
358	K	31.4	Very low	31.9	Very low	213 Å²	213	146.4 Å²	146.4	93%	0.926	76%	0.758	S	S	*	*			trans	-104.1	152.8	168.8	-87.4	-175.4	171.7	-177.9	0	109.9
359	A	26.5	Very low	31.7	Very low	105 Å²	105	146 Å²	146	87%	0.868	76%	0.757	S	S	*	*			trans	-131.6	154.2	158.2	0	0	0	0	0	110
360	K	29.1	Very low	31.9	Very low	203 Å²	203	145.3 Å²	145.3	88%	0.883	76%	0.755	S	S	*	*			trans	-96	157.3	178.5	-91.5	-179.5	167.5	-174.1	0	110.6
361	A	27.6	Very low	32.3	Very low	102 Å²	102	147 Å²	147	84%	0.843	76%	0.757	S	S	*	*			trans	-136.5	150.1	157.3	0	0	0	0	0	109.2
362	E	26.5	Very low	32.5	Very low	191 Å²	191	142.9 Å²	142.9	89%	0.893	74%	0.739	S	S	*	*			trans	-102.2	170.2	-171.3	-67.1	178	135	0	0	112.8
363	K	26.4	Very low	32.9	Very low	169 Å²	169	142.5 Å²	142.5	74%	0.735	73%	0.73	S	S	*	*			trans	-128.8	148.9	-177.5	-87.4	-170.8	162.1	-165.2	0	111.9	E368	K363-E368 WeakPolarHBondContact CD-OE1 3.46Å; K363-E368 IonicContact NZ-OE1 4Å; K363-E368 PolarHBondContact NZ-OE1 3.47Å
364	I	25.3	Very low	33.6	Very low	162 Å²	162	135 Å²	135	83%	0.831	70%	0.697	S	S	*	*			trans	-95.8	137.9	170.9	-57.6	169.9	0	0	0	108.8
365	P	30.2	Very low	34.2	Very low	105 Å²	105	128.8 Å²	128.8	68%	0.682	68%	0.677	S	S	*	*			trans	-111.8	124.2	-175.6	36.2	-26.4	0	0	0	114.5
366	C	26.6	Very low	35	Very low	131 Å²	131	131.3 Å²	131.3	89%	0.885	67%	0.669	S	S	*	*	S	Bend	trans	-156.3	-23	148.3	-147.2	0	0	0	0	116.7
367	E	31	Very low	35.6	Very low	173 Å²	173	124 Å²	124	81%	0.808	64%	0.639	S	S	*	*	S	Bend	trans	-101.6	-9.5	-178.4	-65.4	-172.9	133.5	0	0	114.7	K369	E367-K369 PolarHBondContact O-N 3.33Å
368	E	35.6	Very low	36.5	Very low	64 Å²	64	114.6 Å²	114.6	30%	0.299	60%	0.599	S	S	.	*	H	α-helix	trans	-67.9	-3.4	-167.6	-63	-157	138	0	0	116.7	K363 K372	K363-E368 WeakPolarHBondContact CD-OE1 3.46Å; K363-E368 IonicContact NZ-OE1 4Å; K363-E368 PolarHBondContact NZ-OE1 3.47Å; E368-K372 WeakPolarHBondContact O-CB 3.12Å; E368-K372 WeakPolarHBondContact O-CD 3.4Å; E368-K372 WeakPolarHBondContact O-CG 3.32Å; E368-K372 WeakPolarHBondContact OE2-CE 3.4Å; E368-K372 IonicContact OE2-NZ 3.8Å; E368-K372 PolarHBondContact OE2-NZ 2.8Å
369	K	35.5	Very low	37.2	Very low	173 Å²	173	108.8 Å²	108.8	75%	0.752	59%	0.585	S	S	*	*	H	α-helix	trans	-84	-47.8	-172.5	-137.1	-178.6	-176.2	-174.8	0	112.2	E367 D373	E367-K369 PolarHBondContact O-N 3.33Å; K369-D373 PolarHBondContact O-N 2.86Å
370	D	37.9	Very low	37.9	Very low	100 Å²	100	104.6 Å²	104.6	54%	0.535	55%	0.553	S	S	.	*	H	α-helix	trans	-70.1	-46.7	179.7	-72.8	3.4	0	0	0	111	K372 D373 I374	D370-K372 VanDerWaalsContact C-N 3.26Å; D370-K372 PolarHBondContact O-N 3.27Å; D370-D373 PolarHBondContact O-N 3.45Å; D370-I374 WeakPolarHBondContact O-CG1 3.41Å; D370-I374 PolarHBondContact O-N 2.89Å
371	D	42.6	Very low	38.4	Very low	90 Å²	90	98 Å²	98	48%	0.481	53%	0.526	S	S	.	.	H	α-helix	trans	-63.3	-30.3	179	-86.6	-18.8	0	0	0	113.1	S375	D371-S375 WeakPolarHBondContact O-CB 3.43Å; D371-S375 PolarHBondContact O-N 3.17Å; D371-S375 PolarHBondContact O-OG 3.23Å
372	K	45	Very low	39	Very low	99 Å²	99	96.7 Å²	96.7	43%	0.43	51%	0.507	S	S	.	.	H	α-helix	trans	-69.9	-33	172.7	-80.2	175	-166.4	157.3	0	112.6	E368 D370 S375 K376	E368-K372 WeakPolarHBondContact O-CB 3.12Å; E368-K372 WeakPolarHBondContact O-CD 3.4Å; E368-K372 WeakPolarHBondContact O-CG 3.32Å; E368-K372 WeakPolarHBondContact OE2-CE 3.4Å; E368-K372 IonicContact OE2-NZ 3.8Å; E368-K372 PolarHBondContact OE2-NZ 2.8Å; D370-K372 VanDerWaalsContact C-N 3.26Å; D370-K372 PolarHBondContact O-N 3.27Å; K372-S375 WeakPolarHBondContact CA-OG 3.48Å; K372-S375 PolarHBondContact O-OG 3.18Å; K372-K376 WeakPolarHBondContact O-CD 3.21Å; K372-K376 WeakPolarHBondContact O-CE 3.49Å; K372-K376 WeakPolarHBondContact O-CG 3.2Å; K372-K376 PolarHBondContact O-N 3.18Å
373	D	48.2	Very low	39.5	Very low	83 Å²	83	91.6 Å²	91.6	44%	0.444	48%	0.482	S	S	.	.	H	α-helix	trans	-78.1	-37.4	176.6	-77.2	-13.1	0	0	0	111.1	K369 D370 K376 L377	K369-D373 PolarHBondContact O-N 2.86Å; D370-D373 PolarHBondContact O-N 3.45Å; D373-K376 WeakPolarHBondContact O-CB 3.3Å; D373-K376 PolarHBondContact O-N 3.47Å; D373-K376 IonicContact OD1-NZ 2.87Å; D373-K376 PolarHBondContact OD1-NZ 3.12Å; D373-L377 WeakPolarHBondContact O-CG 3.39Å; D373-L377 PolarHBondContact O-N 3.44Å; D373-L377 VanDerWaalsContact O-N 3.13Å
374	I	49.6	Very low	40.1	Very low	1 Å²	1	85.9 Å²	85.9	1%	0.005	46%	0.463	C	S	.	.	H	α-helix	trans	-68	-39.3	171.5	-48.7	170.6	0	0	0	110.9	D370 K376 L377 V378 R655 Y656	D370-I374 WeakPolarHBondContact O-CG1 3.41Å; D370-I374 PolarHBondContact O-N 2.89Å; I374-K376 PolarHBondContact O-N 3.24Å; I374-L377 CarbonylContact O-C 3.59Å; I374-L377 WeakPolarHBondContact O-CA 3.42Å; I374-L377 WeakPolarHBondContact O-CB 3.43Å; I374-L377 PolarHBondContact O-N 3.38Å; I374-V378 HydrophobicContact CG2-CG2 4.36Å; I374-V378 WeakPolarHBondContact O-CG2 3.42Å; I374-V378 PolarHBondContact O-N 2.85Å; I374-R655 HydrophobicContact CD1-CB 4.37Å; I374-Y656 HydrophobicContact CG2-CD2 4.17Å
375	S	49.4	Very low	40.6	Very low	63 Å²	63	79.5 Å²	79.5	44%	0.441	43%	0.433	S	S	.	.	H	α-helix	trans	-61.8	-29.2	175.2	75.5	0	0	0	0	113	D371 K372 V378 S379	D371-S375 WeakPolarHBondContact O-CB 3.43Å; D371-S375 PolarHBondContact O-N 3.17Å; D371-S375 PolarHBondContact O-OG 3.23Å; K372-S375 WeakPolarHBondContact CA-OG 3.48Å; K372-S375 PolarHBondContact O-OG 3.18Å; S375-V378 PolarHBondContact O-N 2.83Å; S375-S379 WeakPolarHBondContact O-CB 3.49Å; S375-S379 PolarHBondContact O-N 3.13Å; S375-S379 PolarHBondContact O-OG 2.96Å
376	K	50.3	Low	40.9	Very low	123 Å²	123	76.6 Å²	76.6	54%	0.535	41%	0.411	S	S	.	.	H	α-helix	trans	-72.9	-33.8	171.7	-70.8	164.8	-157.3	163.2	0	112.6	K372 D373 I374 V378 S379	K372-K376 WeakPolarHBondContact O-CD 3.21Å; K372-K376 WeakPolarHBondContact O-CE 3.49Å; K372-K376 WeakPolarHBondContact O-CG 3.2Å; K372-K376 PolarHBondContact O-N 3.18Å; D373-K376 WeakPolarHBondContact O-CB 3.3Å; D373-K376 PolarHBondContact O-N 3.47Å; D373-K376 IonicContact OD1-NZ 2.87Å; D373-K376 PolarHBondContact OD1-NZ 3.12Å; I374-K376 PolarHBondContact O-N 3.24Å; K376-V378 VanDerWaalsContact C-N 3.27Å; K376-S379 WeakPolarHBondContact CA-OG 3.46Å; K376-S379 PolarHBondContact O-OG 2.94Å
377	L	45	Very low	41.2	Very low	44 Å²	44	74.1 Å²	74.1	23%	0.23	39%	0.389	C	S	.	.	H	α-helix	trans	-70.9	-23.9	172.6	-62.1	170.8	0	0	0	112.1	D373 I374 H590 Y656	D373-L377 WeakPolarHBondContact O-CG 3.39Å; D373-L377 PolarHBondContact O-N 3.44Å; D373-L377 VanDerWaalsContact O-N 3.13Å; I374-L377 CarbonylContact O-C 3.59Å; I374-L377 WeakPolarHBondContact O-CA 3.42Å; I374-L377 WeakPolarHBondContact O-CB 3.43Å; I374-L377 PolarHBondContact O-N 3.38Å; L377-H590 VanDerWaalsContact CD2-CE1 3.42Å; L377-H590 WeakPolarHBondContact CD2-CE1 3.38Å; L377-H590 WeakPolarHBondContact CD2-NE2 3.4Å; L377-H590 PolarHBondContact O-CD2 3.22Å; L377-Y656 HydrophobicContact CB-CD2 4.09Å; L377-Y656 HydrophobicContact CB-CE2 3.77Å; L377-Y656 HydrophobicContact CD1-CD2 4.45Å
378	V	46.4	Very low	41.6	Very low	12 Å²	12	70.5 Å²	70.5	7%	0.073	37%	0.368	C	S	.	.	H	α-helix	trans	-93	-18.6	176.9	-178.5	0	0	0	0	111.9	I374 S375 K376 G380 I381 Y656 Q659 H663	I374-V378 HydrophobicContact CG2-CG2 4.36Å; I374-V378 WeakPolarHBondContact O-CG2 3.42Å; I374-V378 PolarHBondContact O-N 2.85Å; S375-V378 PolarHBondContact O-N 2.83Å; K376-V378 VanDerWaalsContact C-N 3.27Å; V378-G380 PolarHBondContact O-N 2.9Å; V378-I381 HydrophobicContact CG1-CD1 3.85Å; V378-I381 HydrophobicContact CG1-CG1 4.47Å; V378-Y656 HydrophobicContact CG2-CD2 4.33Å; V378-Y656 HydrophobicContact CG2-CE2 4.11Å; V378-Q659 HydrophobicContact CG2-CB 4.3Å; V378-H663 VanDerWaalsContact CG1-CD2 3.45Å; V378-H663 WeakPolarHBondContact CG1-CD2 3.2Å
379	S	45.5	Very low	41.2	Very low	91 Å²	91	75.6 Å²	75.6	64%	0.636	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	62.4	173.2	68.8	0	0	0	0	113	S375 K376	S375-S379 WeakPolarHBondContact O-CB 3.49Å; S375-S379 PolarHBondContact O-N 3.13Å; S375-S379 PolarHBondContact O-OG 2.96Å; K376-S379 WeakPolarHBondContact CA-OG 3.46Å; K376-S379 PolarHBondContact O-OG 2.94Å
380	G	42.8	Very low	40.8	Very low	18 Å²	18	73.7 Å²	73.7	19%	0.186	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-175.4	24	-176	0	0	0	0	0	113.5	V378 V382 D589	V378-G380 PolarHBondContact O-N 2.9Å; G380-V382 PolarHBondContact O-N 3.17Å; G380-V382 VanDerWaalsContact O-N 3.07Å; G380-D589 WeakPolarHBondContact CA-OD2 3.46Å
381	I	38.9	Very low	40	Very low	64 Å²	64	74.2 Å²	74.2	33%	0.328	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	104.9	179.9	-66	167.1	0	0	0	109.7	V378 K383 T588 L660 H663	V378-I381 HydrophobicContact CG1-CD1 3.85Å; V378-I381 HydrophobicContact CG1-CG1 4.47Å; I381-K383 HydrophobicContact CG2-CB 4.4Å; I381-T588 HydrophobicContact CG1-CG2 4.38Å; I381-L660 HydrophobicContact CD1-CD1 4.34Å; I381-L660 HydrophobicContact CG1-CD1 4.31Å; I381-H663 HydrophobicContact CD1-CB 3.62Å
382	V	40.2	Very low	39.3	Very low	74 Å²	74	79.1 Å²	79.1	45%	0.448	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	95.4	165.4	-179	0	0	0	0	107.5	G380 C384	G380-V382 PolarHBondContact O-N 3.17Å; G380-V382 VanDerWaalsContact O-N 3.07Å; V382-C384 PolarHBondContact O-N 3.18Å
383	K	37.5	Very low	38.4	Very low	84 Å²	84	83.6 Å²	83.6	37%	0.365	43%	0.433	S	S	.	.			trans	-70.6	72	-177	-163.2	168.9	-173.7	169.3	0	112	I381 S385 A667	I381-K383 HydrophobicContact CG2-CB 4.4Å; K383-S385 WeakPolarHBondContact CG-OG 3.41Å; K383-S385 PolarHBondContact O-N 3.35Å; K383-A667 PolarHBondContact NZ-O 2.61Å; K383-A667 PolarHBondContact NZ-OXT 2.84Å
384	C	38.5	Very low	37.2	Very low	50 Å²	50	86.3 Å²	86.3	34%	0.338	45%	0.453	S	S	.	.			trans	-74.9	60.6	165.3	-73.5	0	0	0	0	110.4	V382 W585	V382-C384 PolarHBondContact O-N 3.18Å; C384-W585 HydrophobicContact CB-CH2 3.62Å; C384-W585 HydrophobicContact CB-CZ2 4.21Å; C384-W585 HydrophobicContact CB-CZ3 3.87Å
385	S	35.9	Very low	36.1	Very low	27 Å²	27	92.6 Å²	92.6	19%	0.189	49%	0.491	C	S	.	.			trans	-104.5	116.8	-178.2	-69.1	0	0	0	0	111.2	K383 N387	K383-S385 WeakPolarHBondContact CG-OG 3.41Å; K383-S385 PolarHBondContact O-N 3.35Å; S385-N387 VanDerWaalsContact C-N 3.31Å; S385-N387 PolarHBondContact O-N 3.33Å
386	I	36.8	Very low	35	Very low	44 Å²	44	92.7 Å²	92.7	23%	0.226	50%	0.502	C	S	.	.			trans	-75.7	88.5	161.1	-58.3	172.8	0	0	0	106.7	L508	I386-L508 HydrophobicContact CD1-CD2 4.28Å; I386-L508 HydrophobicContact CD1-CG 4.23Å
387	N	32.8	Very low	33.7	Very low	80 Å²	80	91.8 Å²	91.8	43%	0.428	52%	0.517	S	S	.	.			trans	-83.1	117.6	177.2	-112.9	13.3	0	0	0	110.2	S385 Q389 Q584	S385-N387 VanDerWaalsContact C-N 3.31Å; S385-N387 PolarHBondContact O-N 3.33Å; N387-Q389 PolarHBondContact O-N 3.37Å; N387-Q584 PolarHBondContact OD1-NE2 3.03Å
388	R	39	Very low	32.8	Very low	97 Å²	97	97.7 Å²	97.7	37%	0.366	55%	0.549	S	S	.	.			trans	-73.6	102.3	162.7	-85.1	179.8	170.9	166.4	-7	109.3	L528 T529 N531	R388-L528 PolarHBondContact NH2-O 2.79Å; R388-T529 PolarHBondContact NE-O 2.69Å; R388-T529 VanDerWaalsContact NE-O 3.07Å; R388-T529 PolarHBondContact NH2-O 3.31Å; R388-T529 VanDerWaalsContact NH2-O 3.14Å; R388-N531 PolarHBondContact NH1-ND2 3.04Å; R388-N531 PolarHBondContact NH1-OD1 2.92Å; R388-N531 PolarHBondContact NH2-OD1 3.2Å
389	Q	27.6	Very low	31.7	Very low	170 Å²	170	106.7 Å²	106.7	79%	0.794	59%	0.59	S	S	*	*			trans	-135.2	115.9	159.2	-76.5	-170.3	-13.2	0	0	110.1	N387	N387-Q389 PolarHBondContact O-N 3.37Å
390	I	26.5	Very low	30.7	Very low	133 Å²	133	105.7 Å²	105.7	68%	0.682	59%	0.594	S	S	*	*			trans	-120	111.3	162.6	-60.8	177.3	0	0	0	105.9	Y392	I390-Y392 HydrophobicContact CB-CE2 4.36Å; I390-Y392 HydrophobicContact CG2-CD2 4.04Å; I390-Y392 HydrophobicContact CG2-CE1 4.35Å; I390-Y392 HydrophobicContact CG2-CE2 3.57Å
391	S	22.5	Very low	30.1	Very low	112 Å²	112	111 Å²	111	78%	0.783	63%	0.626	S	S	*	*			trans	-84.9	114.2	171.1	-179.3	0	0	0	0	108.9
392	Y	27	Very low	29.3	Very low	192 Å²	192	113.4 Å²	113.4	75%	0.753	65%	0.648	S	S	*	*			trans	-88.3	118.7	164.3	-70.5	-78.5	0	0	0	108.7	I390 T394	I390-Y392 HydrophobicContact CB-CE2 4.36Å; I390-Y392 HydrophobicContact CG2-CD2 4.04Å; I390-Y392 HydrophobicContact CG2-CE1 4.35Å; I390-Y392 HydrophobicContact CG2-CE2 3.57Å; Y392-T394 PolarHBondContact O-N 2.92Å
393	K	25.3	Very low	29	Very low	194 Å²	194	116.1 Å²	116.1	84%	0.843	67%	0.667	S	S	*	*			trans	-73	109.8	167.1	-79.5	-172.6	173.7	-175.1	0	109.1	V395	K393-V395 PolarHBondContact O-N 2.75Å
394	T	24.2	Very low	28.3	Very low	140 Å²	140	115.3 Å²	115.3	86%	0.859	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-62.3	117.3	161.8	-45.4	0	0	0	0	108.4	Y392	Y392-T394 PolarHBondContact O-N 2.92Å
395	V	26.6	Very low	27.7	Very low	133 Å²	133	119.7 Å²	119.7	81%	0.806	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-82.2	127.4	167.1	177.2	0	0	0	0	107.1	K393	K393-V395 PolarHBondContact O-N 2.75Å
396	G	25.1	Very low	27.1	Very low	65 Å²	65	126 Å²	126	67%	0.67	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-66	149.6	-177.2	0	0	0	0	0	112.8
397	A	22.7	Very low	26.5	Very low	103 Å²	103	130.5 Å²	130.5	85%	0.851	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-66.1	152	169.2	0	0	0	0	0	111.1
398	N	26.6	Very low	26.1	Very low	168 Å²	168	132.9 Å²	132.9	90%	0.898	77%	0.77	S	S	*	*			trans	-132.9	132.9	160.4	-119.8	16.5	0	0	0	107.4
399	E	24.6	Very low	25.3	Very low	202 Å²	202	133 Å²	133	94%	0.944	79%	0.786	S	S	*	*			trans	-69.7	126	179.6	-58.6	168.3	138	0	0	109
400	G	23.2	Very low	25.8	Very low	70 Å²	70	129.9 Å²	129.9	72%	0.722	78%	0.78	S	S	*	*				112.9	170.8	89.3	0	0	0	0	0	109.7
401	P	29.7	Very low	25.7	Very low	130 Å²	130	130 Å²	130	84%	0.844	79%	0.787	S	S	*	*			cis	-121.1	178.3	-9.8	40.2	-25.6	0	0	0	114.1
402	S	23.7	Very low	26.5	Very low	113 Å²	113	129.8 Å²	129.8	79%	0.79	78%	0.782	S	S	*	*			trans	-70.6	170.6	173.2	-31.4	0	0	0	0	112.9
403	P	32.8	Very low	26.4	Very low	132 Å²	132	128 Å²	128	86%	0.857	79%	0.785	S	S	*	*			cis	-132.5	-178	48.4	34	-13	0	0	0	113.8
404	G	23.8	Very low	26.2	Very low	66 Å²	66	126.7 Å²	126.7	68%	0.68	78%	0.782	S	S	*	*			cis	179.7	170.2	-2.6	0	0	0	0	0	111
405	D	25.7	Very low	26.1	Very low	143 Å²	143	129.6 Å²	129.6	77%	0.765	79%	0.786	S	S	*	*			trans	65	122.1	166.5	-64.3	-38.3	0	0	0	123.8
406	Q	23.5	Very low	26	Very low	158 Å²	158	129.7 Å²	129.7	74%	0.738	79%	0.787	S	S	*	*				35.3	145.6	118.5	-51.4	-172.2	37.6	0	0	119.8
407	L	24.4	Very low	26.5	Very low	139 Å²	139	132.3 Å²	132.3	73%	0.728	79%	0.792	S	S	*	*			cis	-169.4	167.8	12.8	-150.7	66.5	0	0	0	110.9
408	V	24.3	Very low	26.5	Very low	130 Å²	130	132 Å²	132	79%	0.788	79%	0.79	S	S	*	*			trans	69.9	138.8	156	-169.9	0	0	0	0	121.9
409	S	20.9	Very low	26.6	Very low	101 Å²	101	133.1 Å²	133.1	71%	0.706	79%	0.79	S	S	*	*			trans	-129.9	169.7	157.8	65.9	0	0	0	0	108
410	P	39.2	Very low	26.6	Very low	104 Å²	104	133 Å²	133	68%	0.675	79%	0.789	S	S	*	*			cis	-148.9	162.4	14.1	42.3	-22	0	0	0	118.9
411	V	23.8	Very low	26.9	Very low	136 Å²	136	139.2 Å²	139.2	82%	0.824	80%	0.799	S	S	*	*			trans	64.7	160	134.4	170.9	0	0	0	0	119.8
412	P	39.4	Very low	26.9	Very low	106 Å²	106	137.9 Å²	137.9	69%	0.688	79%	0.793	S	S	*	*			cis	-128.2	-173.1	-7.3	34.4	-13.8	0	0	0	117.3
413	L	24.5	Very low	27.4	Very low	154 Å²	154	143.8 Å²	143.8	81%	0.806	80%	0.798	S	S	*	*			trans	111.3	153.6	147.8	-78.2	163.4	0	0	0	120.6
414	E	21.2	Very low	27.2	Very low	168 Å²	168	145.7 Å²	145.7	79%	0.785	79%	0.793	S	S	*	*			trans	-91.3	152.3	-148.6	-59.3	164.7	120.6	0	0	116.5
415	Q	23	Very low	27.5	Very low	200 Å²	200	148 Å²	148	94%	0.935	80%	0.798	S	S	*	*				-169.7	152	127.1	-102.6	163.9	39.9	0	0	112.4
416	T	23.5	Very low	27.9	Very low	135 Å²	135	149 Å²	149	83%	0.828	80%	0.802	S	S	*	*			trans	-106.4	-178.9	-177	46.3	0	0	0	0	111.4
417	P	36.7	Very low	28.4	Very low	121 Å²	121	147 Å²	147	79%	0.786	81%	0.805	S	S	*	*			cis	-130.6	161.4	-34.2	32.6	-16.4	0	0	0	113.8
418	A	22.4	Very low	29.1	Very low	96 Å²	96	150.4 Å²	150.4	79%	0.793	81%	0.808	S	S	*	*			trans	-164	132.3	148.4	0	0	0	0	0	113.7
419	E	28.5	Very low	30.1	Very low	192 Å²	192	148.7 Å²	148.7	90%	0.897	80%	0.802	S	S	*	*			trans	8.1	117.2	153	-56.5	-179.8	153.1	0	0	121.3
420	E	25.4	Very low	31.2	Very low	199 Å²	199	147.1 Å²	147.1	93%	0.93	78%	0.783	S	S	*	*				-163	111.3	127.8	-121.3	-169.6	167.3	0	0	111.6
421	E	29.3	Very low	31.4	Very low	201 Å²	201	152.8 Å²	152.8	94%	0.939	80%	0.797	S	S	*	*			trans	-98.9	108	173.1	-89.5	-160.9	136.7	0	0	112
422	S	28.6	Very low	32.3	Very low	102 Å²	102	150.2 Å²	150.2	71%	0.713	80%	0.798	S	S	*	*			trans	-154.5	125.2	155.3	-132.7	0	0	0	0	115.3
423	R	35.2	Very low	32.7	Very low	237 Å²	237	148.2 Å²	148.2	89%	0.894	78%	0.784	S	S	*	*			trans	62.3	73	154.7	-60.8	175.1	177.2	167	1.1	118.9
424	K	28.1	Very low	33.8	Very low	172 Å²	172	148.7 Å²	148.7	75%	0.748	78%	0.784	S	S	*	*			trans	-143.6	104.2	150	-75.9	-172.7	-178.8	161.7	0	113.9
425	S	29.3	Very low	35	Very low	114 Å²	114	142 Å²	142	80%	0.797	76%	0.758	S	S	*	*			trans	-164.7	119.6	161.3	41.2	0	0	0	0	106.5
426	I	34.4	Very low	36.4	Very low	163 Å²	163	136.4 Å²	136.4	84%	0.836	74%	0.741	S	S	*	*	S	Bend		-130.5	-3.2	62.7	-76.1	157.4	0	0	0	113.5	R428	I426-R428 PolarHBondContact O-N 3.19Å
427	S	35	Very low	37.4	Very low	116 Å²	116	133.6 Å²	133.6	81%	0.811	73%	0.726	S	S	*	*	S	Bend	trans	-74.6	7.4	-171.9	58.6	0	0	0	0	116.8
428	R	37.8	Very low	37.8	Very low	211 Å²	211	132.9 Å²	132.9	80%	0.796	72%	0.72	S	S	*	*	S	Bend	trans	-135.8	80.3	176.4	-74.3	-175.9	173.4	-179.3	-4.2	111.9	I426	I426-R428 PolarHBondContact O-N 3.19Å
429	S	45.2	Very low	38.7	Very low	94 Å²	94	136.3 Å²	136.3	66%	0.657	72%	0.719	S	S	*	*			trans	-173	85	147	-166.5	0	0	0	0	112.6
430	F	45.7	Very low	39	Very low	68 Å²	68	132.9 Å²	132.9	30%	0.298	71%	0.714	S	S	.	*			trans	-147.8	6.1	151.6	-77	-57.7	0	0	0	112.2	G432 F534 F536 P542	F430-G432 PolarHBondContact O-N 3.05Å; F430-G432 VanDerWaalsContact O-N 3.1Å; F430-F534 HydrophobicContact CB-CE1 4.42Å; F430-F534 HydrophobicContact CD2-CD1 4.42Å; F430-F534 AromaticContact CD2-CE1 3.78Å; F430-F534 HydrophobicContact CD2-CE1 3.78Å; F430-F534 AromaticContact CD2-CZ 3.88Å; F430-F534 HydrophobicContact CD2-CZ 3.88Å; F430-F534 HydrophobicContact CE2-CE1 4.42Å; F430-F534 HydrophobicContact CE2-CZ 4.26Å; F430-F534 HydrophobicContact CG-CE1 4.29Å; F430-F536 HydrophobicContact CD1-CZ 4.48Å; F430-F536 HydrophobicContact CE1-CZ 4.26Å; F430-P542 HydrophobicContact CD1-CG 4.34Å; F430-P542 HydrophobicContact CE1-CB 4.05Å; F430-P542 HydrophobicContact CE1-CG 3.77Å
431	K	41.7	Very low	39.5	Very low	223 Å²	223	128.9 Å²	128.9	97%	0.97	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	99	170.5	-83.6	-169.3	169.1	-170	0	108.2
432	G	42.7	Very low	40.1	Very low	83 Å²	83	128 Å²	128	86%	0.856	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	142.2	-2.8	179.8	0	0	0	0	0	115.6	F430	F430-G432 PolarHBondContact O-N 3.05Å; F430-G432 VanDerWaalsContact O-N 3.1Å
433	T	49.4	Very low	41.1	Very low	63 Å²	63	130.3 Å²	130.3	39%	0.387	71%	0.707	S	S	.	*	S	Bend	trans	-116.8	151.8	177.9	-42.2	0	0	0	0	110.6	A435 P542	T433-A435 PolarHBondContact O-N 3.23Å; T433-P542 HydrophobicContact CG2-CG 4.46Å
434	M	46.1	Very low	42.3	Very low	165 Å²	165	122.8 Å²	122.8	81%	0.813	69%	0.687	S	S	*	*			trans	-68.1	52.7	176.8	-66.3	-76.8	-170.2	0	0	112.9
435	A	48	Very low	44.5	Very low	27 Å²	27	117.9 Å²	117.9	22%	0.223	67%	0.669	C	S	.	*			trans	-92.9	118.9	175.7	0	0	0	0	0	109.2	T433 S437 F536	T433-A435 PolarHBondContact O-N 3.23Å; A435-S437 PolarHBondContact O-N 3.02Å; A435-F536 HydrophobicContact CB-CD1 4.14Å; A435-F536 HydrophobicContact CB-CE1 3.66Å; A435-F536 HydrophobicContact CB-CZ 4.27Å
436	S	51.2	Low	47.1	Very low	83 Å²	83	115.9 Å²	115.9	58%	0.58	65%	0.652	S	S	*	*	B	Isolated β-bridge	trans	-72.9	114.2	163.9	-175.8	0	0	0	0	108
437	S	44.3	Very low	49.5	Very low	75 Å²	75	108.7 Å²	108.7	52%	0.524	62%	0.616	S	S	.	*			trans	-104.3	113	170.3	62.4	0	0	0	0	109.2	A435	A435-S437 PolarHBondContact O-N 3.02Å
438	T	46.3	Very low	51.9	Low	106 Å²	106	105.3 Å²	105.3	65%	0.65	60%	0.595	S	S	*	*			trans	-74.2	144.8	165.5	50.3	0	0	0	0	109.9
439	E	40.3	Very low	54.2	Low	168 Å²	168	96.8 Å²	96.8	79%	0.785	57%	0.57	S	S	*	*			trans	-55.8	163.4	168.4	-76.9	-70.1	135.1	0	0	111.6	C441	E439-C441 PolarHBondContact O-N 3.18Å; E439-C441 VanDerWaalsContact O-N 3.07Å
440	P	34.2	Very low	56.3	Low	120 Å²	120	92.5 Å²	92.5	78%	0.779	54%	0.539	S	S	*	.			trans	-64.2	111.6	179.1	-12.4	26.9	0	0	0	110.3
441	C	36.8	Very low	58.5	Low	116 Å²	116	89.3 Å²	89.3	78%	0.784	53%	0.525	S	S	*	.			trans	-73.8	150.1	172.7	-160.4	0	0	0	0	110.4	E439	E439-C441 PolarHBondContact O-N 3.18Å; E439-C441 VanDerWaalsContact O-N 3.07Å
442	E	42.5	Very low	60.8	Low	181 Å²	181	83.6 Å²	83.6	85%	0.846	50%	0.502	S	S	*	.	S	Bend	trans	-63.3	155.7	-172.1	-60.7	-179.1	136.9	0	0	113.4
443	D	49.1	Very low	63.1	Low	151 Å²	151	81.4 Å²	81.4	81%	0.807	48%	0.476	S	S	*	.			trans	40.2	78.2	173.2	-71.7	-14	0	0	0	116.8	L445	D443-L445 VanDerWaalsContact C-N 3.35Å; D443-L445 PolarHBondContact O-N 3.01Å
444	V	60.9	Low	65.2	Low	79 Å²	79	78.5 Å²	78.5	48%	0.479	46%	0.458	S	S	.	.			trans	-62	96	164.1	-178.2	0	0	0	0	109.9	T446 N531	V444-T446 PolarHBondContact O-N 2.75Å; V444-N531 VanDerWaalsContact CG1-ND2 3.29Å; V444-N531 WeakPolarHBondContact CG1-ND2 3.43Å; V444-N531 HydrophobicContact CG2-CB 4.24Å
445	L	73.7	Confident	67.4	Low	70 Å²	70	71.5 Å²	71.5	37%	0.366	42%	0.424	S	S	.	.			trans	-54.7	122.9	169.6	-73.6	171.2	0	0	0	110.4	D443 A449 V450 L583	D443-L445 VanDerWaalsContact C-N 3.35Å; D443-L445 PolarHBondContact O-N 3.01Å; L445-A449 HydrophobicContact CD2-CB 4.38Å; L445-V450 HydrophobicContact CB-CG2 3.94Å; L445-V450 HydrophobicContact CD1-CG2 4.45Å; L445-L583 VanDerWaalsContact O-CD1 3.28Å; L445-L583 WeakPolarHBondContact O-CD1 3.26Å
446	T	83.7	Confident	69.6	Low	71 Å²	71	76 Å²	76	44%	0.436	44%	0.439	S	S	.	.			trans	-81.4	155.7	173.7	68.2	0	0	0	0	110.1	V444 A448 A449 V450	V444-T446 PolarHBondContact O-N 2.75Å; T446-A448 PolarHBondContact O-N 2.63Å; T446-A449 PolarHBondContact O-N 2.94Å; T446-A449 VanDerWaalsContact O-N 3.1Å; T446-A449 WeakPolarHBondContact OG1-CB 3.45Å; T446-A449 PolarHBondContact OG1-N 3.28Å; T446-A449 VanDerWaalsContact OG1-N 3.09Å; T446-V450 WeakPolarHBondContact O-CG2 3.49Å; T446-V450 PolarHBondContact O-N 2.78Å
447	P	84	Confident	71.6	Confident	13 Å²	13	74.3 Å²	74.3	8%	0.084	42%	0.421	C	S	.	.	H	α-helix	trans	-54.1	-37.8	174.2	-16.2	20.6	0	0	0	112.8	V450 A451 L583 Q584 L595	P447-V450 PolarHBondContact O-N 3.41Å; P447-A451 WeakPolarHBondContact O-CB 3.39Å; P447-A451 PolarHBondContact O-N 3.21Å; P447-L583 HydrophobicContact CG-CB 4.08Å; P447-Q584 HydrophobicContact CB-CB 3.83Å; P447-Q584 HydrophobicContact CB-CG 4.49Å; P447-Q584 HydrophobicContact CG-CB 4.14Å; P447-L595 HydrophobicContact CB-CD1 4.25Å
448	A	85.8	Confident	74	Confident	44 Å²	44	70.8 Å²	70.8	36%	0.364	40%	0.396	S	S	.	.	H	α-helix	trans	-63.1	-48.8	175.9	0	0	0	0	0	111.7	T446 V450 A451 E452	T446-A448 PolarHBondContact O-N 2.63Å; A448-V450 VanDerWaalsContact C-N 3.31Å; A448-V450 PolarHBondContact O-N 2.95Å; A448-A451 PolarHBondContact O-N 3Å; A448-A451 VanDerWaalsContact O-N 3.14Å; A448-E452 WeakPolarHBondContact O-CB 3.4Å; A448-E452 WeakPolarHBondContact O-CG 3.48Å; A448-E452 PolarHBondContact O-N 3.09Å
449	A	87.5	Confident	76.3	Confident	33 Å²	33	69.5 Å²	69.5	27%	0.273	38%	0.382	S	S	.	.	H	α-helix	trans	-59.9	-39.4	177.6	0	0	0	0	0	112.6	L445 T446 A453	L445-A449 HydrophobicContact CD2-CB 4.38Å; T446-A449 PolarHBondContact O-N 2.94Å; T446-A449 VanDerWaalsContact O-N 3.1Å; T446-A449 WeakPolarHBondContact OG1-CB 3.45Å; T446-A449 PolarHBondContact OG1-N 3.28Å; T446-A449 VanDerWaalsContact OG1-N 3.09Å; A449-A453 VanDerWaalsContact O-CB 3.26Å; A449-A453 WeakPolarHBondContact O-CB 3.27Å; A449-A453 PolarHBondContact O-N 3.27Å
450	V	89.3	Confident	78.8	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.024	37%	0.365	C	S	.	.	H	α-helix	trans	-66	-44	175	179.9	0	0	0	0	111.3	L445 T446 P447 A448 A454 L583 L595	L445-V450 HydrophobicContact CB-CG2 3.94Å; L445-V450 HydrophobicContact CD1-CG2 4.45Å; T446-V450 WeakPolarHBondContact O-CG2 3.49Å; T446-V450 PolarHBondContact O-N 2.78Å; P447-V450 PolarHBondContact O-N 3.41Å; A448-V450 VanDerWaalsContact C-N 3.31Å; A448-V450 PolarHBondContact O-N 2.95Å; V450-A454 VanDerWaalsContact O-CB 3.31Å; V450-A454 WeakPolarHBondContact O-CB 3.49Å; V450-A454 PolarHBondContact O-N 3.36Å; V450-L583 HydrophobicContact CG2-CD1 4.19Å; V450-L595 HydrophobicContact CG1-CB 4.43Å; V450-L595 HydrophobicContact CG1-CD2 4.15Å
451	A	90.2	Very high	81.6	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.2	-44.5	177.6	0	0	0	0	0	112.4	P447 A448 M455 L595 L661 T665	P447-A451 WeakPolarHBondContact O-CB 3.39Å; P447-A451 PolarHBondContact O-N 3.21Å; A448-A451 PolarHBondContact O-N 3Å; A448-A451 VanDerWaalsContact O-N 3.14Å; A451-M455 WeakPolarHBondContact O-CB 3.24Å; A451-M455 PolarHBondContact O-N 2.97Å; A451-L595 HydrophobicContact CB-CD1 4.17Å; A451-L661 HydrophobicContact CB-CD2 4.01Å; A451-T665 HydrophobicContact CB-CG2 4.4Å
452	E	91	Very high	84.3	Confident	104 Å²	104	55.9 Å²	55.9	49%	0.486	30%	0.3	S	S	.	.	H	α-helix	trans	-63.7	-47.1	177.7	-74.7	172.6	-160.5	0	0	111.9	A448 M455 K456 T665	A448-E452 WeakPolarHBondContact O-CB 3.4Å; A448-E452 WeakPolarHBondContact O-CG 3.48Å; A448-E452 PolarHBondContact O-N 3.09Å; E452-M455 PolarHBondContact O-N 3.05Å; E452-K456 VanDerWaalsContact O-CB 3.31Å; E452-K456 WeakPolarHBondContact O-CB 3.5Å; E452-K456 PolarHBondContact O-N 3.34Å; E452-T665 HydrophobicContact CG-CG2 3.64Å
453	A	91.6	Very high	86.7	Confident	36 Å²	36	51.3 Å²	51.3	30%	0.298	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-49.4	177.6	0	0	0	0	0	111.4	A449 M455 K456 E457	A449-A453 VanDerWaalsContact O-CB 3.26Å; A449-A453 WeakPolarHBondContact O-CB 3.27Å; A449-A453 PolarHBondContact O-N 3.27Å; A453-M455 PolarHBondContact O-N 3.47Å; A453-K456 PolarHBondContact O-N 3.29Å; A453-E457 PolarHBondContact O-N 3.24Å
454	A	92.4	Very high	88.6	Confident	3 Å²	3	48.6 Å²	48.6	3%	0.025	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-43.2	176.7	0	0	0	0	0	112.2	V450 L458 L601 L614 L661	V450-A454 VanDerWaalsContact O-CB 3.31Å; V450-A454 WeakPolarHBondContact O-CB 3.49Å; V450-A454 PolarHBondContact O-N 3.36Å; A454-L458 WeakPolarHBondContact O-CB 3.47Å; A454-L458 VanDerWaalsContact O-CG 3.25Å; A454-L458 WeakPolarHBondContact O-CG 3.3Å; A454-L458 PolarHBondContact O-N 3.45Å; A454-L601 HydrophobicContact CB-CB 4.34Å; A454-L601 HydrophobicContact CB-CD2 3.73Å; A454-L614 HydrophobicContact CB-CD2 3.78Å; A454-L661 HydrophobicContact CB-CD1 4.14Å
455	M	93.6	Very high	90.1	Very high	18 Å²	18	45.5 Å²	45.5	9%	0.089	26%	0.263	C	S	.	.	H	α-helix	trans	-62.3	-45.1	177.9	177.7	177.3	56.8	0	0	112.1	A451 E452 A453 K459 L661 Q662 T665	A451-M455 WeakPolarHBondContact O-CB 3.24Å; A451-M455 PolarHBondContact O-N 2.97Å; E452-M455 PolarHBondContact O-N 3.05Å; A453-M455 PolarHBondContact O-N 3.47Å; M455-K459 HydrophobicContact CG-CD 3.98Å; M455-K459 HydrophobicContact CG-CG 4.36Å; M455-K459 VanDerWaalsContact O-CB 3.32Å; M455-K459 WeakPolarHBondContact O-CB 3.49Å; M455-K459 VanDerWaalsContact O-CG 3.27Å; M455-K459 WeakPolarHBondContact O-CG 3.42Å; M455-K459 PolarHBondContact O-N 3.34Å; M455-L661 HydrophobicContact CB-CB 3.88Å; M455-L661 HydrophobicContact CB-CD1 4Å; M455-L661 HydrophobicContact CG-CB 4.24Å; M455-L661 HydrophobicContact SD-CB 4.29Å; M455-Q662 WeakPolarHBondContact SD-CA 3.35Å; M455-Q662 HydrophobicContact SD-CB 3.81Å; M455-Q662 PolarHBondContact SD-N 3.46Å; M455-Q662 PolarHBondContact SD-OE1 3.07Å; M455-T665 HydrophobicContact CE-CG2 4.05Å
456	K	93.1	Very high	91	Very high	122 Å²	122	45 Å²	45	53%	0.53	26%	0.264	S	S	.	.	H	α-helix	trans	-57.7	-51.3	179.6	179.5	-169.1	169.7	-152.6	0	110.8	E452 A453 K459 N460	E452-K456 VanDerWaalsContact O-CB 3.31Å; E452-K456 WeakPolarHBondContact O-CB 3.5Å; E452-K456 PolarHBondContact O-N 3.34Å; A453-K456 PolarHBondContact O-N 3.29Å; K456-K459 WeakPolarHBondContact O-CB 3.47Å; K456-K459 PolarHBondContact O-N 3.04Å; K456-N460 PolarHBondContact O-N 2.94Å; K456-N460 PolarHBondContact O-ND2 2.96Å; K456-N460 PolarHBondContact O-OD1 3.01Å
457	E	93.4	Very high	91.2	Very high	46 Å²	46	46 Å²	46	22%	0.215	28%	0.28	C	S	.	.	H	α-helix	trans	-70.9	-38.4	-176.1	-59.8	-48.4	138.4	0	0	112.6	A453 K459 N460 C461 Y622 L638	A453-E457 PolarHBondContact O-N 3.24Å; E457-K459 VanDerWaalsContact C-N 3.34Å; E457-K459 PolarHBondContact O-N 2.89Å; E457-N460 PolarHBondContact O-N 3.47Å; E457-C461 WeakPolarHBondContact O-CB 3.49Å; E457-C461 PolarHBondContact O-N 3.33Å; E457-Y622 HydrophobicContact CB-CD2 4.46Å; E457-Y622 HydrophobicContact CB-CE2 4.42Å; E457-Y622 HydrophobicContact CG-CD2 4.01Å; E457-Y622 HydrophobicContact CG-CE2 3.6Å; E457-L638 HydrophobicContact CB-CD2 3.89Å
458	L	94.6	Very high	91.6	Very high	1 Å²	1	47 Å²	47	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-65.6	-35.3	173.4	-68	-175.4	0	0	0	112.6	A454 L462 L601 L614 L624 L638 L654 V657 V658	A454-L458 WeakPolarHBondContact O-CB 3.47Å; A454-L458 VanDerWaalsContact O-CG 3.25Å; A454-L458 WeakPolarHBondContact O-CG 3.3Å; A454-L458 PolarHBondContact O-N 3.45Å; L458-L462 WeakPolarHBondContact O-CB 3.33Å; L458-L462 VanDerWaalsContact O-CG 3.26Å; L458-L462 WeakPolarHBondContact O-CG 3.14Å; L458-L462 PolarHBondContact O-N 2.91Å; L458-L601 HydrophobicContact CD1-CD2 4.46Å; L458-L614 HydrophobicContact CD1-CD2 4.22Å; L458-L614 HydrophobicContact CD2-CD1 4.2Å; L458-L614 HydrophobicContact CD2-CD2 4.09Å; L458-L614 HydrophobicContact CG-CD2 3.94Å; L458-L624 HydrophobicContact CD2-CD1 4.25Å; L458-L638 HydrophobicContact CD2-CD1 3.96Å; L458-L638 HydrophobicContact CD2-CD2 4.45Å; L458-L654 HydrophobicContact CD1-CD2 4.47Å; L458-L654 HydrophobicContact CD2-CD2 3.89Å; L458-V657 HydrophobicContact CD1-CB 4.38Å; L458-V657 HydrophobicContact CD1-CG1 3.68Å; L458-V658 HydrophobicContact CB-CG2 3.44Å; L458-V658 VanDerWaalsContact CB-CG2 3.44Å; L458-V658 HydrophobicContact CD1-CG2 4.42Å
459	K	94.2	Very high	91.6	Very high	80 Å²	80	51.3 Å²	51.3	35%	0.348	31%	0.311	S	S	.	.	H	α-helix	trans	-64.7	-48.4	172.2	-81.3	177.3	176.5	-178.2	0	112	M455 K456 E457 C461 L462 A463 V658	M455-K459 HydrophobicContact CG-CD 3.98Å; M455-K459 HydrophobicContact CG-CG 4.36Å; M455-K459 VanDerWaalsContact O-CB 3.32Å; M455-K459 WeakPolarHBondContact O-CB 3.49Å; M455-K459 VanDerWaalsContact O-CG 3.27Å; M455-K459 WeakPolarHBondContact O-CG 3.42Å; M455-K459 PolarHBondContact O-N 3.34Å; K456-K459 WeakPolarHBondContact O-CB 3.47Å; K456-K459 PolarHBondContact O-N 3.04Å; E457-K459 VanDerWaalsContact C-N 3.34Å; E457-K459 PolarHBondContact O-N 2.89Å; K459-C461 VanDerWaalsContact C-N 3.31Å; K459-C461 PolarHBondContact O-N 2.86Å; K459-L462 PolarHBondContact O-N 3.38Å; K459-A463 VanDerWaalsContact O-CB 3.27Å; K459-A463 WeakPolarHBondContact O-CB 3.37Å; K459-A463 PolarHBondContact O-N 2.95Å; K459-V658 HydrophobicContact CD-CG1 4.21Å; K459-V658 HydrophobicContact CG-CB 4.5Å; K459-V658 HydrophobicContact CG-CG1 3.45Å; K459-V658 VanDerWaalsContact CG-CG1 3.45Å; K459-V658 HydrophobicContact CG-CG2 4.19Å
460	N	93	Very high	91.7	Very high	78 Å²	78	59.3 Å²	59.3	42%	0.417	33%	0.334	S	S	.	.	H	α-helix	trans	-57.7	-46.6	179.4	-67.8	-17.8	0	0	0	110.8	K456 E457 A463 T464	K456-N460 PolarHBondContact O-N 2.94Å; K456-N460 PolarHBondContact O-ND2 2.96Å; K456-N460 PolarHBondContact O-OD1 3.01Å; E457-N460 PolarHBondContact O-N 3.47Å; N460-A463 PolarHBondContact O-N 2.79Å; N460-T464 PolarHBondContact O-N 3.17Å; N460-T464 PolarHBondContact O-OG1 3.23Å
461	C	93.8	Very high	91.7	Very high	5 Å²	5	61.2 Å²	61.2	3%	0.034	34%	0.344	C	S	.	.	H	α-helix	trans	-58.3	-55.5	173.6	-172.9	0	0	0	0	111.1	E457 K459 A463 T464 M465 L638 N642	E457-C461 WeakPolarHBondContact O-CB 3.49Å; E457-C461 PolarHBondContact O-N 3.33Å; K459-C461 VanDerWaalsContact C-N 3.31Å; K459-C461 PolarHBondContact O-N 2.86Å; C461-A463 PolarHBondContact O-N 2.86Å; C461-T464 PolarHBondContact O-N 3.46Å; C461-M465 WeakPolarHBondContact O-CB 3.34Å; C461-M465 PolarHBondContact O-N 2.88Å; C461-M465 WeakPolarHBondContact SG-CE 3.34Å; C461-L638 HydrophobicContact CB-CD1 3.92Å; C461-L638 HydrophobicContact CB-CD2 4.33Å; C461-L638 HydrophobicContact CB-CG 3.97Å; C461-N642 WeakPolarHBondContact CA-OD1 2.94Å; C461-N642 PolarHBondContact O-OD1 2.83Å
462	L	93.5	Very high	91.8	Very high	34 Å²	34	61.6 Å²	61.6	18%	0.178	35%	0.347	C	S	.	.	H	α-helix	trans	-62.6	-26.6	-178.6	-74	170.9	0	0	0	114.7	L458 K459 M465 R651 L654 R655 V658	L458-L462 WeakPolarHBondContact O-CB 3.33Å; L458-L462 VanDerWaalsContact O-CG 3.26Å; L458-L462 WeakPolarHBondContact O-CG 3.14Å; L458-L462 PolarHBondContact O-N 2.91Å; K459-L462 PolarHBondContact O-N 3.38Å; L462-M465 HydrophobicContact CD2-CE 4.34Å; L462-R651 HydrophobicContact CD2-CG 4.08Å; L462-L654 HydrophobicContact CD1-CB 4.08Å; L462-L654 HydrophobicContact CD2-CB 3.94Å; L462-L654 HydrophobicContact CD2-CD1 4.49Å; L462-L654 HydrophobicContact CG-CB 4.32Å; L462-R655 HydrophobicContact CD1-CB 4.49Å; L462-R655 HydrophobicContact CD1-CG 3.93Å; L462-R655 HydrophobicContact CD2-CG 4.23Å; L462-V658 HydrophobicContact CD1-CB 4.4Å; L462-V658 HydrophobicContact CD1-CG2 3.87Å
463	A	91.9	Very high	91.6	Very high	85 Å²	85	60.9 Å²	60.9	70%	0.702	35%	0.351	S	S	*	.	H	α-helix	trans	-78	-28.6	179.4	0	0	0	0	0	113.3	K459 N460 C461	K459-A463 VanDerWaalsContact O-CB 3.27Å; K459-A463 WeakPolarHBondContact O-CB 3.37Å; K459-A463 PolarHBondContact O-N 2.95Å; N460-A463 PolarHBondContact O-N 2.79Å; C461-A463 PolarHBondContact O-N 2.86Å
464	T	89.8	Confident	91.5	Very high	95 Å²	95	62.1 Å²	62.1	58%	0.583	36%	0.357	S	S	*	.	H	α-helix	trans	-109.6	-10.2	-178.2	45.8	0	0	0	0	114.5	N460 C461 N642	N460-T464 PolarHBondContact O-N 3.17Å; N460-T464 PolarHBondContact O-OG1 3.23Å; C461-T464 PolarHBondContact O-N 3.46Å; T464-N642 VanDerWaalsContact OG1-CG 3.26Å; T464-N642 PolarHBondContact OG1-ND2 2.99Å; T464-N642 PolarHBondContact OG1-OD1 3.42Å
465	M	92.4	Very high	91.3	Very high	14 Å²	14	64.2 Å²	64.2	7%	0.069	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-63.4	120	178.4	179.8	-172.2	-61.2	0	0	114.6	C461 L462 L641 N642 C646 R651 L654	C461-M465 WeakPolarHBondContact O-CB 3.34Å; C461-M465 PolarHBondContact O-N 2.88Å; C461-M465 WeakPolarHBondContact SG-CE 3.34Å; L462-M465 HydrophobicContact CD2-CE 4.34Å; M465-L641 HydrophobicContact CE-CB 4.15Å; M465-L641 WeakPolarHBondContact CG-O 3.42Å; M465-N642 PolarHBondContact N-OD1 2.63Å; M465-C646 PolarHBondContact SD-SG 3.34Å; M465-R651 VanDerWaalsContact CG-NH2 3.29Å; M465-R651 PolarHBondContact SD-NH2 3.44Å; M465-L654 HydrophobicContact CE-CD1 4.41Å
466	P	91.8	Very high	90.4	Very high	58 Å²	58	69.2 Å²	69.2	38%	0.377	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-72.1	157.8	177.9	31.3	-35.8	0	0	0	112.1	A468 N642 E643 G645 R651	P466-A468 PolarHBondContact O-N 3.19Å; P466-N642 WeakPolarHBondContact CD-O 3.27Å; P466-E643 WeakPolarHBondContact CG-O 3.22Å; P466-G645 WeakPolarHBondContact O-CA 3.13Å; P466-R651 PolarHBondContact O-NH2 3.39Å
467	A	89.3	Confident	89.4	Confident	94 Å²	94	74.7 Å²	74.7	78%	0.777	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-67.9	129.5	176	0	0	0	0	0	111.9
468	A	91.2	Very high	88.5	Confident	32 Å²	32	75 Å²	75	26%	0.264	43%	0.427	S	S	.	.			trans	-139.4	154.5	178.6	0	0	0	0	0	111.7	P466 M644 C646	P466-A468 PolarHBondContact O-N 3.19Å; A468-M644 WeakPolarHBondContact CB-O 3.45Å; A468-C646 VanDerWaalsContact O-O 3.11Å
469	T	86.4	Confident	87.5	Confident	135 Å²	135	79.3 Å²	79.3	83%	0.828	45%	0.447	S	S	*	.	S	Bend	trans	-99.2	-7.6	178.4	53.7	0	0	0	0	113.3
470	R	88.9	Confident	86.6	Confident	201 Å²	201	78.4 Å²	78.4	76%	0.758	45%	0.451	S	S	*	.	S	Bend	trans	-135.1	157	-179.8	-60.6	-177.1	70.8	-172.5	0.5	109.6
471	N	90.5	Very high	86.1	Confident	44 Å²	44	76.4 Å²	76.4	24%	0.235	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-76.1	159	167.7	-69.7	-11	0	0	0	110	Y636 T647	N471-Y636 HydrophobicContact CB-CE1 4.18Å; N471-Y636 WeakPolarHBondContact CB-OH 3.25Å; N471-Y636 PolarHBondContact ND2-OH 2.83Å; N471-Y636 VanDerWaalsContact ND2-OH 3.14Å; N471-T647 WeakPolarHBondContact OD1-CG2 3.27Å; N471-T647 PolarHBondContact OD1-N 2.96Å; N471-T647 PolarHBondContact OD1-OG1 2.99Å; N471-T647 VanDerWaalsContact OD1-OG1 3.05Å
472	P	90.9	Very high	85.8	Confident	9 Å²	9	77 Å²	77	6%	0.058	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-59	166.5	171.6	-21.8	34.2	0	0	0	112.2	Y636 L641 M644 G645	P472-Y636 HydrophobicContact CB-CD1 4.17Å; P472-Y636 HydrophobicContact CG-CD1 4.39Å; P472-Y636 WeakPolarHBondContact O-CE1 3.4Å; P472-L641 HydrophobicContact CG-CD2 3.78Å; P472-L641 HydrophobicContact CG-CG 4.33Å; P472-M644 HydrophobicContact CB-SD 4.05Å; P472-M644 HydrophobicContact CG-CB 4.23Å; P472-G645 WeakPolarHBondContact CD-O 3.33Å; P472-G645 WeakPolarHBondContact CG-O 3.24Å
473	P	88.4	Confident	85.7	Confident	88 Å²	88	75.8 Å²	75.8	57%	0.571	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-55.2	144.5	167.3	-22.5	34.3	0	0	0	111.3
474	C	89.4	Confident	85.7	Confident	63 Å²	63	71.8 Å²	71.8	43%	0.426	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-71.5	143.2	175.7	-144	0	0	0	0	111	S476 C634 T635	C474-S476 PolarHBondContact O-N 2.81Å; C474-C634 WeakPolarHBondContact CA-SG 3.38Å; C474-C634 HydrophobicContact CB-CB 4.33Å; C474-C634 WeakPolarHBondContact CB-SG 3.36Å; C474-C634 WeakPolarHBondContact SG-CA 3.31Å; C474-C634 WeakPolarHBondContact SG-CB 3.25Å; C474-C634 CovalentContact SG-SG 2.03Å; C474-C634 PolarHBondContact SG-SG 2.96Å; C474-T635 PolarHBondContact SG-N 3.09Å; C474-T635 VanDerWaalsContact SG-N 3.44Å
475	L	86.8	Confident	85.8	Confident	46 Å²	46	68.3 Å²	68.3	24%	0.241	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-61.8	123	166	-68.6	176.7	0	0	0	109	R477 P478 L623 T635 L637 M640	L475-R477 VanDerWaalsContact C-N 3.32Å; L475-R477 PolarHBondContact O-N 3.4Å; L475-P478 HydrophobicContact CB-CB 4.38Å; L475-P478 HydrophobicContact CD1-CB 4.47Å; L475-L623 HydrophobicContact CD1-CD2 3.7Å; L475-T635 WeakPolarHBondContact CB-O 3.16Å; L475-T635 HydrophobicContact CD1-CG2 4.17Å; L475-T635 WeakPolarHBondContact CG-O 3.47Å; L475-T635 PolarHBondContact N-O 3.02Å; L475-L637 HydrophobicContact CD1-CG 4.32Å; L475-L637 HydrophobicContact CD2-CD1 4.45Å; L475-M640 HydrophobicContact CD2-CE 3.63Å; L475-M640 HydrophobicContact CG-CE 4.03Å
476	S	76	Confident	85.8	Confident	124 Å²	124	68.5 Å²	68.5	87%	0.867	38%	0.38	S	S	*	.	S	Bend	trans	-75.1	-20.3	-175.4	36.5	0	0	0	0	113.7	C474	C474-S476 PolarHBondContact O-N 2.81Å
477	R	72	Confident	85.9	Confident	236 Å²	236	69 Å²	69	89%	0.891	38%	0.375	S	S	*	.	S	Bend	trans	-147.7	81.8	169.8	-67.9	-171.8	-179.7	177	-1.2	110.1	L475	L475-R477 VanDerWaalsContact C-N 3.32Å; L475-R477 PolarHBondContact O-N 3.4Å
478	P	73.4	Confident	85.9	Confident	52 Å²	52	65 Å²	65	34%	0.338	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-67.6	153.8	171.7	30.5	-33.9	0	0	0	110.4	L475 S480 T635	L475-P478 HydrophobicContact CB-CB 4.38Å; L475-P478 HydrophobicContact CD1-CB 4.47Å; P478-S480 PolarHBondContact O-N 3.07Å; P478-T635 HydrophobicContact CB-CG2 3.92Å
479	Q	73.6	Confident	85.7	Confident	93 Å²	93	65.7 Å²	65.7	44%	0.435	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-60.4	134.3	170.9	-173.6	178.6	18.7	0	0	109.7	F481 S617	Q479-F481 WeakPolarHBondContact O-CD1 3.46Å; Q479-F481 PolarHBondContact O-N 3.47Å; Q479-S617 PolarHBondContact OE1-OG 3.47Å
480	S	74.6	Confident	85.6	Confident	60 Å²	60	62.6 Å²	62.6	42%	0.42	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-63.5	131.5	176.9	-174.3	0	0	0	0	110.7	P478	P478-S480 PolarHBondContact O-N 3.07Å
481	F	84.1	Confident	85.1	Confident	36 Å²	36	54.6 Å²	54.6	16%	0.158	29%	0.289	C	S	.	.			trans	-137.7	151.1	175.8	65.7	-89.1	0	0	0	110.9	Q479 W483 I613 T625	Q479-F481 WeakPolarHBondContact O-CD1 3.46Å; Q479-F481 PolarHBondContact O-N 3.47Å; F481-W483 HydrophobicContact CD2-CB 4.16Å; F481-W483 HydrophobicContact CE2-CB 3.84Å; F481-W483 HydrophobicContact CE2-CG 4.18Å; F481-I613 HydrophobicContact CD2-CG2 4.44Å; F481-I613 HydrophobicContact CE2-CB 4.36Å; F481-I613 HydrophobicContact CE2-CD1 4.17Å; F481-I613 HydrophobicContact CE2-CG2 3.74Å; F481-I613 HydrophobicContact CZ-CD1 4.5Å; F481-I613 HydrophobicContact CZ-CG2 4.45Å; F481-T625 HydrophobicContact CZ-CG2 4.31Å; F481-T625 VanDerWaalsContact CZ-OG1 3.3Å; F481-T625 WeakPolarHBondContact CZ-OG1 3.43Å
482	L	87.8	Confident	83.6	Confident	18 Å²	18	57.7 Å²	57.7	9%	0.094	31%	0.305	C	S	.	.			trans	-85.5	129.3	178.4	-61.9	-179.6	0	0	0	110.7	L500 N502 P579 P580	L482-L500 HydrophobicContact CB-CD1 4.46Å; L482-L500 HydrophobicContact CD1-CD1 4.45Å; L482-N502 HydrophobicContact CD2-CB 3.63Å; L482-P579 HydrophobicContact CD1-CB 4.21Å; L482-P580 HydrophobicContact CB-CG 3.87Å
483	W	90.1	Very high	82.6	Confident	9 Å²	9	63.9 Å²	63.9	3%	0.034	33%	0.331	C	S	.	.			trans	-137.8	159.9	-178.8	66.4	-82	0	0	0	111.8	F481 T485 L500 S501 L569 K611 I613 I627	F481-W483 HydrophobicContact CD2-CB 4.16Å; F481-W483 HydrophobicContact CE2-CB 3.84Å; F481-W483 HydrophobicContact CE2-CG 4.18Å; W483-T485 HydrophobicContact CD2-CG2 4.32Å; W483-T485 HydrophobicContact CE3-CG2 4.36Å; W483-T485 HydrophobicContact CH2-CG2 3.83Å; W483-T485 HydrophobicContact CZ2-CG2 3.76Å; W483-T485 HydrophobicContact CZ3-CG2 4.14Å; W483-T485 PolarHBondContact O-N 2.85Å; W483-L500 CarbonylContact O-C 3.59Å; W483-L500 VanDerWaalsContact O-CA 3.26Å; W483-L500 WeakPolarHBondContact O-CA 3.25Å; W483-S501 PolarHBondContact N-OG 2.68Å; W483-S501 PolarHBondContact O-N 3.34Å; W483-L569 HydrophobicContact CD2-CD1 4.22Å; W483-L569 HydrophobicContact CZ2-CB 3.9Å; W483-L569 HydrophobicContact CZ2-CD1 3.88Å; W483-L569 HydrophobicContact CZ2-CG 4.4Å; W483-K611 HydrophobicContact CZ3-CD 4.39Å; W483-I613 HydrophobicContact CB-CD1 3.84Å; W483-I613 HydrophobicContact CD2-CD1 4Å; W483-I613 HydrophobicContact CE3-CD1 3.91Å; W483-I613 HydrophobicContact CG-CD1 3.99Å; W483-I627 HydrophobicContact CE3-CD1 4.35Å; W483-I627 HydrophobicContact CH2-CD1 3.97Å; W483-I627 HydrophobicContact CZ3-CD1 3.86Å
484	V	92.9	Very high	82.3	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	109.4	-176.2	-179.6	0	0	0	0	110.9	K486 W487 Y498 Q499 L500 M594 F596 Q602	V484-K486 WeakPolarHBondContact CG1-O 3.26Å; V484-W487 HydrophobicContact CG1-CB 4.14Å; V484-Y498 HydrophobicContact CG2-CD2 3.97Å; V484-Y498 HydrophobicContact CG2-CG 4.41Å; V484-Q499 CarbonylContact C-O 3.46Å; V484-Q499 WeakPolarHBondContact CA-O 3.27Å; V484-L500 HydrophobicContact CG2-CD2 4.1Å; V484-M594 HydrophobicContact CB-CE 4.02Å; V484-M594 HydrophobicContact CB-SD 4.18Å; V484-M594 HydrophobicContact CG1-CE 4.2Å; V484-M594 HydrophobicContact CG1-SD 4.08Å; V484-M594 HydrophobicContact CG2-CE 4.25Å; V484-M594 HydrophobicContact CG2-SD 3.92Å; V484-F596 HydrophobicContact CG2-CE1 4.47Å; V484-F596 HydrophobicContact CG2-CE2 3.97Å; V484-F596 HydrophobicContact CG2-CZ 3.44Å; V484-F596 VanDerWaalsContact CG2-CZ 3.44Å; V484-Q602 PolarHBondContact O-NE2 3.03Å
485	T	91.2	Very high	82.3	Confident	22 Å²	22	59.7 Å²	59.7	14%	0.135	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-38.9	176.9	56.1	0	0	0	0	111.9	W483 Q499	W483-T485 HydrophobicContact CD2-CG2 4.32Å; W483-T485 HydrophobicContact CE3-CG2 4.36Å; W483-T485 HydrophobicContact CH2-CG2 3.83Å; W483-T485 HydrophobicContact CZ2-CG2 3.76Å; W483-T485 HydrophobicContact CZ3-CG2 4.14Å; W483-T485 PolarHBondContact O-N 2.85Å; T485-Q499 PolarHBondContact N-O 3.09Å; T485-Q499 PolarHBondContact OG1-O 3.23Å
486	K	91.9	Very high	82.7	Confident	18 Å²	18	57.6 Å²	57.6	8%	0.078	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	151.7	-177.7	-57.4	173	176.9	-171.4	0	110.5	V484 Y498 Q499 M559 L563	V484-K486 WeakPolarHBondContact CG1-O 3.26Å; K486-Y498 WeakPolarHBondContact O-CA 3.35Å; K486-Q499 HydrophobicContact CB-CB 4.17Å; K486-Q499 PolarHBondContact O-N 3.18Å; K486-M559 HydrophobicContact CB-CB 4.33Å; K486-M559 HydrophobicContact CB-CG 4.48Å; K486-M559 HydrophobicContact CB-SD 4.2Å; K486-M559 HydrophobicContact CD-CB 4.32Å; K486-M559 WeakPolarHBondContact CD-O 3.17Å; K486-M559 PolarHBondContact NZ-O 3Å; K486-L563 HydrophobicContact CB-CD1 4.19Å; K486-L563 HydrophobicContact CD-CB 4.07Å; K486-L563 WeakPolarHBondContact CE-O 3.36Å; K486-L563 HydrophobicContact CG-CB 4.27Å; K486-L563 PolarHBondContact NZ-O 2.83Å
487	W	93.5	Very high	83.5	Confident	70 Å²	70	51.7 Å²	51.7	27%	0.265	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	157.6	178.9	58.1	-89.2	0	0	0	111.7	V484 D489 F496 G497 L563 L592 Y606	V484-W487 HydrophobicContact CG1-CB 4.14Å; W487-D489 HydrophobicContact CZ3-CB 4.19Å; W487-F496 HydrophobicContact CB-CE1 3.9Å; W487-F496 HydrophobicContact CB-CZ 3.66Å; W487-F496 HydrophobicContact CD2-CE2 4.47Å; W487-F496 AromaticContact CD2-CZ 3.98Å; W487-F496 HydrophobicContact CD2-CZ 3.98Å; W487-F496 AromaticContact CE3-CE2 3.76Å; W487-F496 HydrophobicContact CE3-CE2 3.76Å; W487-F496 AromaticContact CE3-CZ 3.71Å; W487-F496 HydrophobicContact CE3-CZ 3.71Å; W487-F496 AromaticContact CG-CZ 3.97Å; W487-F496 HydrophobicContact CG-CZ 3.97Å; W487-F496 HydrophobicContact CZ3-CE2 4.42Å; W487-G497 CarbonylContact C-O 3.58Å; W487-G497 VanDerWaalsContact CA-O 3.27Å; W487-G497 WeakPolarHBondContact CA-O 3.37Å; W487-L563 WeakPolarHBondContact O-CD1 3.29Å; W487-L592 HydrophobicContact CD2-CD2 3.53Å; W487-L592 HydrophobicContact CE3-CD2 3.96Å; W487-L592 HydrophobicContact CG-CD2 3.87Å; W487-L592 HydrophobicContact CH2-CD2 4.43Å; W487-L592 HydrophobicContact CZ2-CD2 4.05Å; W487-L592 HydrophobicContact CZ3-CD2 4.38Å; W487-Y606 AromaticContact CH2-CE1 3.95Å; W487-Y606 HydrophobicContact CH2-CE1 3.95Å; W487-Y606 AromaticContact CZ2-CE1 3.8Å; W487-Y606 HydrophobicContact CZ2-CE1 3.8Å
488	V	89.2	Confident	84.6	Confident	10 Å²	10	40.5 Å²	40.5	6%	0.061	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	134.8	174.5	-75.2	0	0	0	0	112	Y490 G497 M555 Y558 M559 L563	V488-Y490 HydrophobicContact CB-CD2 3.83Å; V488-Y490 HydrophobicContact CB-CE2 3.74Å; V488-Y490 HydrophobicContact CG1-CE2 4.16Å; V488-Y490 HydrophobicContact CG2-CD2 3.75Å; V488-Y490 HydrophobicContact CG2-CE2 3.84Å; V488-G497 PolarHBondContact N-O 3.11Å; V488-G497 PolarHBondContact O-N 3.36Å; V488-M555 HydrophobicContact CG2-CB 3.97Å; V488-M555 HydrophobicContact CG2-CG 4.06Å; V488-M555 HydrophobicContact CG2-SD 3.92Å; V488-Y558 HydrophobicContact CG1-CD1 3.54Å; V488-Y558 HydrophobicContact CG1-CE1 3.64Å; V488-M559 HydrophobicContact CG1-CG 3.78Å; V488-M559 HydrophobicContact CG1-SD 4.46Å; V488-M559 HydrophobicContact CG2-CE 4.47Å; V488-M559 HydrophobicContact CG2-CG 4.12Å; V488-M559 HydrophobicContact CG2-SD 4.06Å; V488-L563 HydrophobicContact CG1-CD1 4.18Å
489	D	87	Confident	85.6	Confident	46 Å²	46	38.5 Å²	38.5	25%	0.246	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	93.5	177.2	-179.2	8.3	0	0	0	110.1	W487 S491 F496 K587	W487-D489 HydrophobicContact CZ3-CB 4.19Å; D489-S491 WeakPolarHBondContact OD1-CB 3.27Å; D489-S491 PolarHBondContact OD1-N 3.26Å; D489-S491 PolarHBondContact OD1-OG 3.22Å; D489-F496 HydrophobicContact CB-CD2 4.3Å; D489-F496 HydrophobicContact CB-CE2 4.27Å; D489-K587 IonicContact OD2-NZ 2.66Å; D489-K587 PolarHBondContact OD2-NZ 3.32Å
490	Y	84.4	Confident	86.4	Confident	69 Å²	69	34.3 Å²	34.3	27%	0.271	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	28.2	169.4	-70.8	-73.3	0	0	0	111	V488 N492 K493 Y494 G495 M555	V488-Y490 HydrophobicContact CB-CD2 3.83Å; V488-Y490 HydrophobicContact CB-CE2 3.74Å; V488-Y490 HydrophobicContact CG1-CE2 4.16Å; V488-Y490 HydrophobicContact CG2-CD2 3.75Å; V488-Y490 HydrophobicContact CG2-CE2 3.84Å; Y490-N492 PolarHBondContact O-N 3.17Å; Y490-N492 VanDerWaalsContact O-N 3.09Å; Y490-N492 PolarHBondContact O-OD1 2.7Å; Y490-K493 PolarHBondContact O-N 3.49Å; Y490-Y494 PolarHBondContact O-N 3.26Å; Y490-G495 CarbonylContact C-O 3.56Å; Y490-G495 WeakPolarHBondContact CA-O 3.49Å; Y490-G495 PolarHBondContact N-O 2.89Å; Y490-G495 PolarHBondContact O-N 2.92Å; Y490-G495 VanDerWaalsContact O-N 3.07Å; Y490-M555 HydrophobicContact CD2-CE 3.9Å; Y490-M555 HydrophobicContact CD2-CG 3.94Å; Y490-M555 HydrophobicContact CD2-SD 3.98Å; Y490-M555 HydrophobicContact CE2-CG 4.29Å; Y490-M555 HydrophobicContact CG-CE 4.11Å
491	S	78.3	Confident	87.1	Confident	34 Å²	34	32.4 Å²	32.4	24%	0.238	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.4	178.4	61.4	0	0	0	0	113	D489 K493 G495 N510	D489-S491 WeakPolarHBondContact OD1-CB 3.27Å; D489-S491 PolarHBondContact OD1-N 3.26Å; D489-S491 PolarHBondContact OD1-OG 3.22Å; S491-K493 PolarHBondContact O-N 3.05Å; S491-G495 PolarHBondContact N-O 3.4Å; S491-G495 VanDerWaalsContact N-O 3.09Å; S491-N510 PolarHBondContact O-ND2 3.19Å; S491-N510 PolarHBondContact O-OD1 2.79Å
492	N	59.9	Low	87.2	Confident	109 Å²	109	33.2 Å²	33.2	58%	0.583	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.9	172.2	65.9	0.9	0	0	0	115.3	Y490	Y490-N492 PolarHBondContact O-N 3.17Å; Y490-N492 VanDerWaalsContact O-N 3.09Å; Y490-N492 PolarHBondContact O-OD1 2.7Å
493	K	70	Confident	87.2	Confident	139 Å²	139	39 Å²	39	60%	0.604	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-147.2	-35.4	-175.1	-169.2	177.9	-179.4	-163	0	114.9	Y490 S491	Y490-K493 PolarHBondContact O-N 3.49Å; S491-K493 PolarHBondContact O-N 3.05Å
494	Y	82.8	Confident	87.2	Confident	63 Å²	63	38.9 Å²	38.9	25%	0.247	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.6	-50.9	-168.2	-64.4	-53.7	0	0	0	112.7	Y490 F509 N510 I551 M555	Y490-Y494 PolarHBondContact O-N 3.26Å; Y494-F509 WeakPolarHBondContact O-CA 3.32Å; Y494-F509 WeakPolarHBondContact O-CD1 3.38Å; Y494-N510 PolarHBondContact O-N 3.37Å; Y494-N510 VanDerWaalsContact O-N 3.11Å; Y494-I551 HydrophobicContact CD1-CD1 3.5Å; Y494-I551 VanDerWaalsContact CD1-CD1 3.5Å; Y494-I551 HydrophobicContact CD1-CG1 3.91Å; Y494-I551 HydrophobicContact CD1-CG2 4.03Å; Y494-I551 HydrophobicContact CD2-CG2 4.19Å; Y494-I551 HydrophobicContact CE1-CD1 3.6Å; Y494-I551 HydrophobicContact CE1-CG1 3.82Å; Y494-I551 HydrophobicContact CG-CD1 4.36Å; Y494-I551 HydrophobicContact CG-CG1 4.45Å; Y494-I551 HydrophobicContact CG-CG2 3.78Å; Y494-M555 HydrophobicContact CD2-CE 4.19Å; Y494-M555 HydrophobicContact CG-CE 4.27Å
495	G	88.5	Confident	87.2	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.6	-172.8	-169.1	0	0	0	0	0	112.8	Y490 S491 L508 N510	Y490-G495 CarbonylContact C-O 3.56Å; Y490-G495 WeakPolarHBondContact CA-O 3.49Å; Y490-G495 PolarHBondContact N-O 2.89Å; Y490-G495 PolarHBondContact O-N 2.92Å; Y490-G495 VanDerWaalsContact O-N 3.07Å; S491-G495 PolarHBondContact N-O 3.4Å; S491-G495 VanDerWaalsContact N-O 3.09Å; G495-L508 CarbonylContact C-O 3.6Å; G495-L508 WeakPolarHBondContact CA-O 3.3Å; G495-N510 WeakPolarHBondContact CA-OD1 3.4Å; G495-N510 PolarHBondContact N-OD1 3.36Å
496	F	94.6	Very high	87.3	Confident	1 Å²	1	38 Å²	38	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.8	178.1	-170.8	-86.4	0	0	0	110	W487 D489 V507 L508 L582 W585 L592 M594	W487-F496 HydrophobicContact CB-CE1 3.9Å; W487-F496 HydrophobicContact CB-CZ 3.66Å; W487-F496 HydrophobicContact CD2-CE2 4.47Å; W487-F496 AromaticContact CD2-CZ 3.98Å; W487-F496 HydrophobicContact CD2-CZ 3.98Å; W487-F496 AromaticContact CE3-CE2 3.76Å; W487-F496 HydrophobicContact CE3-CE2 3.76Å; W487-F496 AromaticContact CE3-CZ 3.71Å; W487-F496 HydrophobicContact CE3-CZ 3.71Å; W487-F496 AromaticContact CG-CZ 3.97Å; W487-F496 HydrophobicContact CG-CZ 3.97Å; W487-F496 HydrophobicContact CZ3-CE2 4.42Å; D489-F496 HydrophobicContact CB-CD2 4.3Å; D489-F496 HydrophobicContact CB-CE2 4.27Å; F496-V507 WeakPolarHBondContact O-CA 3.45Å; F496-L508 PolarHBondContact N-O 3.43Å; F496-L508 PolarHBondContact O-N 2.82Å; F496-L582 HydrophobicContact CD1-CD2 3.47Å; F496-L582 VanDerWaalsContact CD1-CD2 3.47Å; F496-L582 HydrophobicContact CE1-CD2 4.06Å; F496-L582 HydrophobicContact CG-CD2 4.31Å; F496-W585 HydrophobicContact CB-CD2 4.3Å; F496-W585 HydrophobicContact CB-CG 4.28Å; F496-W585 HydrophobicContact CB-CZ2 4.28Å; F496-W585 VanDerWaalsContact CB-NE1 3.31Å; F496-W585 HydrophobicContact CD1-CG 4.33Å; F496-W585 AromaticContact CD2-CD2 3.56Å; F496-W585 HydrophobicContact CD2-CD2 3.56Å; F496-W585 AromaticContact CD2-CE2 3.65Å; F496-W585 AromaticContact CD2-CE3 3.86Å; F496-W585 HydrophobicContact CD2-CE3 3.86Å; F496-W585 AromaticContact CD2-CG 3.96Å; F496-W585 HydrophobicContact CD2-CG 3.96Å; F496-W585 HydrophobicContact CD2-CH2 4.29Å; F496-W585 HydrophobicContact CD2-CZ2 4.05Å; F496-W585 HydrophobicContact CD2-CZ3 4.2Å; F496-W585 HydrophobicContact CE2-CD2 4.07Å; F496-W585 HydrophobicContact CE2-CE3 4.03Å; F496-W585 HydrophobicContact CE2-CG 4.42Å; F496-W585 HydrophobicContact CE2-CZ3 4.46Å; F496-W585 AromaticContact CG-CD1 3.76Å; F496-W585 AromaticContact CG-CD2 3.96Å; F496-W585 HydrophobicContact CG-CD2 3.96Å; F496-W585 AromaticContact CG-CE2 3.89Å; F496-W585 AromaticContact CG-CG 3.92Å; F496-W585 HydrophobicContact CG-CG 3.92Å; F496-W585 AromaticContact CG-NE1 3.77Å; F496-L592 HydrophobicContact CE2-CD1 4.09Å; F496-L592 HydrophobicContact CE2-CD2 4.26Å; F496-L592 HydrophobicContact CZ-CD1 4.18Å; F496-L592 HydrophobicContact CZ-CD2 3.7Å; F496-M594 HydrophobicContact CE1-SD 4.03Å; F496-M594 HydrophobicContact CZ-SD 4.29Å
497	G	94.6	Very high	87.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	141.1	179.4	0	0	0	0	0	111.7	W487 V488 G506	W487-G497 CarbonylContact C-O 3.58Å; W487-G497 VanDerWaalsContact CA-O 3.27Å; W487-G497 WeakPolarHBondContact CA-O 3.37Å; V488-G497 PolarHBondContact N-O 3.11Å; V488-G497 PolarHBondContact O-N 3.36Å; G497-G506 WeakPolarHBondContact CA-O 3.31Å
498	Y	94.7	Very high	87.4	Confident	1 Å²	1	34.3 Å²	34.3	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	149.3	178.4	68.2	-85.9	0	0	0	111.7	V484 K486 L500 I505 G506 H514 P580 L581 L582 F596	V484-Y498 HydrophobicContact CG2-CD2 3.97Å; V484-Y498 HydrophobicContact CG2-CG 4.41Å; K486-Y498 WeakPolarHBondContact O-CA 3.35Å; Y498-L500 HydrophobicContact CD2-CD2 3.97Å; Y498-L500 HydrophobicContact CD2-CG 4.04Å; Y498-L500 HydrophobicContact CE2-CD1 4.15Å; Y498-L500 HydrophobicContact CE2-CD2 3.84Å; Y498-L500 HydrophobicContact CE2-CG 3.82Å; Y498-I505 CarbonylContact O-C 3.4Å; Y498-I505 WeakPolarHBondContact O-CA 3.14Å; Y498-G506 WeakPolarHBondContact CD1-O 3.4Å; Y498-G506 PolarHBondContact N-O 2.88Å; Y498-G506 PolarHBondContact O-N 3.32Å; Y498-H514 AromaticContact CE1-NE2 3.82Å; Y498-H514 AromaticContact CZ-NE2 3.48Å; Y498-H514 PolarHBondContact OH-NE2 2.96Å; Y498-P580 PolarHBondContact OH-O 3.28Å; Y498-L581 WeakPolarHBondContact OH-CA 3.35Å; Y498-L582 HydrophobicContact CD1-CB 4.07Å; Y498-L582 HydrophobicContact CD1-CD2 3.98Å; Y498-L582 HydrophobicContact CE1-CB 3.45Å; Y498-L582 VanDerWaalsContact CE1-CB 3.45Å; Y498-L582 HydrophobicContact CE1-CD2 4.18Å; Y498-L582 HydrophobicContact CE1-CG 4.45Å; Y498-L582 PolarHBondContact OH-N 2.73Å; Y498-L582 VanDerWaalsContact OH-N 3.15Å; Y498-F596 HydrophobicContact CD2-CE1 4.39Å; Y498-F596 HydrophobicContact CD2-CZ 4.48Å; Y498-F596 AromaticContact CE2-CE1 3.8Å; Y498-F596 HydrophobicContact CE2-CE1 3.8Å; Y498-F596 HydrophobicContact CE2-CZ 4.31Å; Y498-F596 AromaticContact CZ-CE1 3.93Å
499	Q	93.3	Very high	87.4	Confident	11 Å²	11	34.4 Å²	34.4	5%	0.051	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.8	173	179.4	173.7	-7.3	0	0	108.8	V484 T485 K486 S504 I505 M559	V484-Q499 CarbonylContact C-O 3.46Å; V484-Q499 WeakPolarHBondContact CA-O 3.27Å; T485-Q499 PolarHBondContact N-O 3.09Å; T485-Q499 PolarHBondContact OG1-O 3.23Å; K486-Q499 HydrophobicContact CB-CB 4.17Å; K486-Q499 PolarHBondContact O-N 3.18Å; Q499-S504 WeakPolarHBondContact CA-O 3.36Å; Q499-I505 HydrophobicContact CB-CG1 4.09Å; Q499-I505 HydrophobicContact CG-CD1 4.47Å; Q499-I505 HydrophobicContact CG-CG1 3.91Å; Q499-M559 HydrophobicContact CB-CE 4.14Å; Q499-M559 HydrophobicContact CB-SD 4.2Å
500	L	91.4	Very high	87.2	Confident	4 Å²	4	35 Å²	35	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	165.4	176.5	-65.5	174.7	0	0	0	111.7	L482 W483 V484 Y498 N502 Q503 S504 P579 P580	L482-L500 HydrophobicContact CB-CD1 4.46Å; L482-L500 HydrophobicContact CD1-CD1 4.45Å; W483-L500 CarbonylContact O-C 3.59Å; W483-L500 VanDerWaalsContact O-CA 3.26Å; W483-L500 WeakPolarHBondContact O-CA 3.25Å; V484-L500 HydrophobicContact CG2-CD2 4.1Å; Y498-L500 HydrophobicContact CD2-CD2 3.97Å; Y498-L500 HydrophobicContact CD2-CG 4.04Å; Y498-L500 HydrophobicContact CE2-CD1 4.15Å; Y498-L500 HydrophobicContact CE2-CD2 3.84Å; Y498-L500 HydrophobicContact CE2-CG 3.82Å; L500-N502 PolarHBondContact O-N 2.96Å; L500-Q503 WeakPolarHBondContact O-CA 3.12Å; L500-Q503 PolarHBondContact O-N 3.17Å; L500-S504 PolarHBondContact N-O 3.42Å; L500-P579 HydrophobicContact CD1-CB 3.67Å; L500-P580 HydrophobicContact CD1-CG 3.95Å; L500-P580 HydrophobicContact CD2-CG 4.25Å
501	S	88.4	Confident	87.1	Confident	21 Å²	21	39.4 Å²	39.4	15%	0.147	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.5	178	54	0	0	0	0	114.5	W483 Q503 C571	W483-S501 PolarHBondContact N-OG 2.68Å; W483-S501 PolarHBondContact O-N 3.34Å; S501-Q503 PolarHBondContact O-N 3.37Å; S501-C571 PolarHBondContact OG-SG 3.33Å
502	N	86.8	Confident	87.2	Confident	53 Å²	53	38.3 Å²	38.3	28%	0.283	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	17.5	171.5	73.4	-10	0	0	0	113.9	L482 L500 S504	L482-N502 HydrophobicContact CD2-CB 3.63Å; L500-N502 PolarHBondContact O-N 2.96Å; N502-S504 PolarHBondContact ND2-OG 3.33Å; N502-S504 PolarHBondContact O-N 3.41Å; N502-S504 VanDerWaalsContact O-N 3.11Å; N502-S504 WeakPolarHBondContact OD1-CB 3.35Å; N502-S504 PolarHBondContact OD1-N 3.24Å; N502-S504 PolarHBondContact OD1-OG 2.88Å
503	Q	87.5	Confident	88.4	Confident	139 Å²	139	34 Å²	34	65%	0.65	17%	0.166	S	C	*	.	S	Bend	trans	62.6	9.9	-176.8	-47	174.7	37.2	0	0	115.5	L500 S501	L500-Q503 WeakPolarHBondContact O-CA 3.12Å; L500-Q503 PolarHBondContact O-N 3.17Å; S501-Q503 PolarHBondContact O-N 3.37Å
504	S	90.7	Very high	89.4	Confident	7 Å²	7	27.8 Å²	27.8	5%	0.049	14%	0.139	C	C	.	.			trans	-69.4	139.5	169.4	-59.2	0	0	0	0	110.3	Q499 L500 N502 L517	Q499-S504 WeakPolarHBondContact CA-O 3.36Å; L500-S504 PolarHBondContact N-O 3.42Å; N502-S504 PolarHBondContact ND2-OG 3.33Å; N502-S504 PolarHBondContact O-N 3.41Å; N502-S504 VanDerWaalsContact O-N 3.11Å; N502-S504 WeakPolarHBondContact OD1-CB 3.35Å; N502-S504 PolarHBondContact OD1-N 3.24Å; N502-S504 PolarHBondContact OD1-OG 2.88Å; S504-L517 WeakPolarHBondContact CA-O 3.41Å
505	I	93	Very high	89.9	Confident	3 Å²	3	24.8 Å²	24.8	2%	0.015	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	116.6	-172.2	-61.3	170.8	0	0	0	109.7	Y498 Q499 S516 L517 V552 A556 M559	Y498-I505 CarbonylContact O-C 3.4Å; Y498-I505 WeakPolarHBondContact O-CA 3.14Å; Q499-I505 HydrophobicContact CB-CG1 4.09Å; Q499-I505 HydrophobicContact CG-CD1 4.47Å; Q499-I505 HydrophobicContact CG-CG1 3.91Å; I505-S516 CarbonylContact O-C 3.58Å; I505-S516 VanDerWaalsContact O-CA 3.25Å; I505-S516 WeakPolarHBondContact O-CA 3.32Å; I505-L517 PolarHBondContact N-O 2.95Å; I505-L517 PolarHBondContact O-N 2.97Å; I505-V552 HydrophobicContact CG2-CG1 3.99Å; I505-A556 HydrophobicContact CB-CB 4.47Å; I505-A556 HydrophobicContact CD1-CB 3.35Å; I505-A556 HydrophobicContact CG1-CB 4.43Å; I505-A556 HydrophobicContact CG2-CB 4Å; I505-M559 HydrophobicContact CG2-CE 3.66Å
506	G	93.3	Very high	90	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	148.5	-179.6	0	0	0	0	0	112.5	G497 Y498 H514	G497-G506 WeakPolarHBondContact CA-O 3.31Å; Y498-G506 WeakPolarHBondContact CD1-O 3.4Å; Y498-G506 PolarHBondContact N-O 2.88Å; Y498-G506 PolarHBondContact O-N 3.32Å; G506-H514 WeakPolarHBondContact CA-NE2 3.42Å
507	V	94.6	Very high	89.9	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	122.9	165.9	177.4	0	0	0	0	109.4	F496 F509 H514 L515 V552 M555	F496-V507 WeakPolarHBondContact O-CA 3.45Å; V507-F509 HydrophobicContact CB-CD2 4.46Å; V507-F509 HydrophobicContact CB-CE2 3.97Å; V507-F509 HydrophobicContact CB-CZ 4.14Å; V507-F509 HydrophobicContact CG1-CD1 4.2Å; V507-F509 HydrophobicContact CG1-CD2 4.06Å; V507-F509 HydrophobicContact CG1-CE1 4.06Å; V507-F509 HydrophobicContact CG1-CE2 3.89Å; V507-F509 HydrophobicContact CG1-CG 4.2Å; V507-F509 HydrophobicContact CG1-CZ 3.89Å; V507-H514 WeakPolarHBondContact O-CA 3.49Å; V507-L515 PolarHBondContact N-O 2.9Å; V507-L515 PolarHBondContact O-N 2.79Å; V507-L515 VanDerWaalsContact O-N 3.13Å; V507-V552 HydrophobicContact CB-CG2 3.87Å; V507-V552 HydrophobicContact CG2-CB 4.15Å; V507-V552 HydrophobicContact CG2-CG1 4.08Å; V507-V552 HydrophobicContact CG2-CG2 3.66Å; V507-M555 HydrophobicContact CG1-CE 4.25Å; V507-M555 HydrophobicContact CG1-SD 4.22Å; V507-M555 HydrophobicContact CG2-SD 3.61Å
508	L	93	Very high	89.6	Confident	10 Å²	10	25.1 Å²	25.1	5%	0.052	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	106.4	163.8	177	62.8	0	0	0	107.9	I386 G495 F496 L582	I386-L508 HydrophobicContact CD1-CD2 4.28Å; I386-L508 HydrophobicContact CD1-CG 4.23Å; G495-L508 CarbonylContact C-O 3.6Å; G495-L508 WeakPolarHBondContact CA-O 3.3Å; F496-L508 PolarHBondContact N-O 3.43Å; F496-L508 PolarHBondContact O-N 2.82Å; L508-L582 HydrophobicContact CB-CD2 4.25Å; L508-L582 HydrophobicContact CD2-CD2 4.29Å; L508-L582 HydrophobicContact CD2-CG 4.29Å
509	F	88.6	Confident	89.1	Confident	11 Å²	11	29.6 Å²	29.6	5%	0.048	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	153.6	-179.5	-68.3	-91.5	0	0	0	111.5	Y494 V507 E511 G512 T513 L515 Q548 I551 V552	Y494-F509 WeakPolarHBondContact O-CA 3.32Å; Y494-F509 WeakPolarHBondContact O-CD1 3.38Å; V507-F509 HydrophobicContact CB-CD2 4.46Å; V507-F509 HydrophobicContact CB-CE2 3.97Å; V507-F509 HydrophobicContact CB-CZ 4.14Å; V507-F509 HydrophobicContact CG1-CD1 4.2Å; V507-F509 HydrophobicContact CG1-CD2 4.06Å; V507-F509 HydrophobicContact CG1-CE1 4.06Å; V507-F509 HydrophobicContact CG1-CE2 3.89Å; V507-F509 HydrophobicContact CG1-CG 4.2Å; V507-F509 HydrophobicContact CG1-CZ 3.89Å; F509-E511 PolarHBondContact O-N 2.9Å; F509-E511 VanDerWaalsContact O-N 3.16Å; F509-G512 PolarHBondContact O-N 2.9Å; F509-T513 WeakPolarHBondContact CB-O 3.41Å; F509-T513 PolarHBondContact N-O 2.91Å; F509-L515 HydrophobicContact CE2-CB 3.78Å; F509-Q548 VanDerWaalsContact CD2-NE2 3.34Å; F509-Q548 HydrophobicContact CE1-CB 4.16Å; F509-Q548 HydrophobicContact CE1-CG 4.06Å; F509-Q548 HydrophobicContact CE2-CB 4.16Å; F509-Q548 HydrophobicContact CE2-CG 4.38Å; F509-Q548 HydrophobicContact CZ-CB 3.65Å; F509-Q548 HydrophobicContact CZ-CG 3.97Å; F509-I551 HydrophobicContact CE1-CB 4.21Å; F509-I551 HydrophobicContact CE1-CD1 4.17Å; F509-I551 HydrophobicContact CE1-CG2 3.93Å; F509-I551 HydrophobicContact CZ-CG2 4.45Å; F509-V552 HydrophobicContact CE2-CG2 4.35Å; F509-V552 HydrophobicContact CZ-CG2 4Å
510	N	83.5	Confident	88.7	Confident	60 Å²	60	36.7 Å²	36.7	32%	0.321	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-34	178.4	-70.9	-10	0	0	0	113.4	S491 Y494 G495 G512	S491-N510 PolarHBondContact O-ND2 3.19Å; S491-N510 PolarHBondContact O-OD1 2.79Å; Y494-N510 PolarHBondContact O-N 3.37Å; Y494-N510 VanDerWaalsContact O-N 3.11Å; G495-N510 WeakPolarHBondContact CA-OD1 3.4Å; G495-N510 PolarHBondContact N-OD1 3.36Å; N510-G512 PolarHBondContact O-N 2.96Å
511	E	81.2	Confident	88.5	Confident	160 Å²	160	40 Å²	40	75%	0.748	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	5.9	176.4	-51.4	-54.7	133.9	0	0	113.6	F509 T513 T529	F509-E511 PolarHBondContact O-N 2.9Å; F509-E511 VanDerWaalsContact O-N 3.16Å; E511-T513 VanDerWaalsContact C-N 3.3Å; E511-T513 PolarHBondContact O-N 3.31Å; E511-T529 WeakPolarHBondContact O-CG2 3.44Å
512	G	80.1	Confident	88.5	Confident	12 Å²	12	45.1 Å²	45.1	12%	0.124	22%	0.219	C	C	.	.	S	Bend	trans	74.8	11.4	177.6	0	0	0	0	0	115.5	F509 N510 T529	F509-G512 PolarHBondContact O-N 2.9Å; N510-G512 PolarHBondContact O-N 2.96Å; G512-T529 WeakPolarHBondContact O-CG2 3.02Å
513	T	86.6	Confident	88.6	Confident	17 Å²	17	43.9 Å²	43.9	10%	0.104	21%	0.213	C	C	.	.			trans	-88	157	167.3	58.9	0	0	0	0	110.3	F509 E511 L528 T529 Q548	F509-T513 WeakPolarHBondContact CB-O 3.41Å; F509-T513 PolarHBondContact N-O 2.91Å; E511-T513 VanDerWaalsContact C-N 3.3Å; E511-T513 PolarHBondContact O-N 3.31Å; T513-L528 HydrophobicContact CG2-CD2 4.33Å; T513-T529 HydrophobicContact CG2-CG2 4.19Å; T513-Q548 PolarHBondContact OG1-NE2 3.47Å; T513-Q548 VanDerWaalsContact OG1-NE2 3.09Å
514	H	90.2	Very high	88.7	Confident	9 Å²	9	37.2 Å²	37.2	4%	0.042	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.5	-178.7	-165.4	-79.7	0	0	0	110.7	Y498 G506 V507 S516 Y526 C527	Y498-H514 AromaticContact CE1-NE2 3.82Å; Y498-H514 AromaticContact CZ-NE2 3.48Å; Y498-H514 PolarHBondContact OH-NE2 2.96Å; G506-H514 WeakPolarHBondContact CA-NE2 3.42Å; V507-H514 WeakPolarHBondContact O-CA 3.49Å; H514-S516 PolarHBondContact CE1-OG 3.35Å; H514-S516 PolarHBondContact ND1-OG 3.43Å; H514-S516 PolarHBondContact NE2-OG 2.79Å; H514-Y526 WeakPolarHBondContact O-CA 3.48Å; H514-Y526 VanDerWaalsContact O-CD2 3.26Å; H514-Y526 WeakPolarHBondContact O-CD2 3.41Å; H514-C527 HydrophobicContact CB-CB 4.14Å; H514-C527 PolarHBondContact N-O 2.89Å; H514-C527 PolarHBondContact O-N 2.9Å
515	L	92.3	Very high	88.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.3	173.1	-164.2	151.7	0	0	0	109.6	V507 F509 L517 V524 H525 Y526 Q548 V552	V507-L515 PolarHBondContact N-O 2.9Å; V507-L515 PolarHBondContact O-N 2.79Å; V507-L515 VanDerWaalsContact O-N 3.13Å; F509-L515 HydrophobicContact CE2-CB 3.78Å; L515-L517 HydrophobicContact CD2-CD2 4.16Å; L515-V524 HydrophobicContact CD1-CG1 4.12Å; L515-V524 HydrophobicContact CD2-CG1 3.68Å; L515-V524 HydrophobicContact CG-CG1 3.77Å; L515-H525 CarbonylContact C-O 3.6Å; L515-H525 WeakPolarHBondContact CA-O 3.39Å; L515-Y526 HydrophobicContact CB-CD2 4.23Å; L515-Y526 HydrophobicContact CD1-CD2 4.17Å; L515-Y526 HydrophobicContact CG-CD2 4.4Å; L515-Q548 HydrophobicContact CD1-CB 3.9Å; L515-V552 HydrophobicContact CB-CG2 4.15Å; L515-V552 HydrophobicContact CD2-CB 4.24Å; L515-V552 HydrophobicContact CD2-CG2 3.65Å; L515-V552 HydrophobicContact CG-CG2 4.45Å
516	S	92.3	Very high	88.4	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.014	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138.4	177.2	-53.9	0	0	0	0	111.7	I505 H514 V524 H525	I505-S516 CarbonylContact O-C 3.58Å; I505-S516 VanDerWaalsContact O-CA 3.25Å; I505-S516 WeakPolarHBondContact O-CA 3.32Å; H514-S516 PolarHBondContact CE1-OG 3.35Å; H514-S516 PolarHBondContact ND1-OG 3.43Å; H514-S516 PolarHBondContact NE2-OG 2.79Å; S516-V524 WeakPolarHBondContact O-CA 3.4Å; S516-H525 PolarHBondContact N-O 3.34Å; S516-H525 PolarHBondContact O-N 3.1Å
517	L	91.8	Very high	88	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.9	166.5	-58.8	179.8	0	0	0	108.9	S504 I505 L515 R521 V524 K549 V552 E553	S504-L517 WeakPolarHBondContact CA-O 3.41Å; I505-L517 PolarHBondContact N-O 2.95Å; I505-L517 PolarHBondContact O-N 2.97Å; L515-L517 HydrophobicContact CD2-CD2 4.16Å; L517-R521 HydrophobicContact CB-CB 4.46Å; L517-R521 HydrophobicContact CB-CG 4.31Å; L517-R521 HydrophobicContact CD1-CG 4.39Å; L517-V524 HydrophobicContact CD2-CG2 3.85Å; L517-K549 HydrophobicContact CD2-CG 4.07Å; L517-V552 HydrophobicContact CD1-CB 4.24Å; L517-V552 HydrophobicContact CD1-CG1 3.82Å; L517-V552 HydrophobicContact CG-CB 4.35Å; L517-V552 HydrophobicContact CG-CG1 3.76Å; L517-E553 HydrophobicContact CD1-CG 3.75Å
518	C	88.8	Confident	87.1	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.02	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	172.6	-174.9	-51.7	0	0	0	0	110.2	Q520 R521 K522 T523 H525 P579	C518-Q520 PolarHBondContact O-N 3.36Å; C518-R521 CarbonylContact O-C 3.55Å; C518-R521 VanDerWaalsContact O-CA 3.26Å; C518-R521 WeakPolarHBondContact O-CA 3.42Å; C518-R521 PolarHBondContact O-N 2.82Å; C518-K522 PolarHBondContact O-N 3.37Å; C518-K522 VanDerWaalsContact O-N 3.1Å; C518-T523 PolarHBondContact N-O 2.88Å; C518-T523 PolarHBondContact O-N 2.87Å; C518-H525 PolarHBondContact SG-CD2 3.2Å; C518-P579 VanDerWaalsContact SG-CG 3.55Å
519	D	84.6	Confident	86	Confident	96 Å²	96	44.8 Å²	44.8	51%	0.513	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	53.7	174.1	-47.7	-32.2	0	0	0	113	R521 K522 T523	D519-R521 VanDerWaalsContact C-N 3.26Å; D519-R521 PolarHBondContact O-N 2.99Å; D519-K522 HydrophobicContact CB-CB 4.35Å; D519-K522 WeakPolarHBondContact O-CB 3.41Å; D519-K522 WeakPolarHBondContact O-CD 3.32Å; D519-K522 WeakPolarHBondContact O-CG 3.44Å; D519-K522 PolarHBondContact O-N 3.45Å; D519-K522 VanDerWaalsContact O-N 3.07Å; D519-T523 WeakPolarHBondContact OD2-CB 3.36Å; D519-T523 PolarHBondContact OD2-OG1 2.83Å
520	Q	83.9	Confident	84.8	Confident	160 Å²	160	49.3 Å²	49.3	75%	0.748	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	38.9	-174.3	-54.5	167	-16.5	0	0	112.6	C518 K522	C518-Q520 PolarHBondContact O-N 3.36Å; Q520-K522 PolarHBondContact O-N 2.93Å
521	R	87.9	Confident	84.1	Confident	73 Å²	73	48.6 Å²	48.6	28%	0.275	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	16.9	-176.3	-45.4	175.6	-176.3	-174.6	-1.5	114.6	L517 C518 D519 T538 N557 E560	L517-R521 HydrophobicContact CB-CB 4.46Å; L517-R521 HydrophobicContact CB-CG 4.31Å; L517-R521 HydrophobicContact CD1-CG 4.39Å; C518-R521 CarbonylContact O-C 3.55Å; C518-R521 VanDerWaalsContact O-CA 3.26Å; C518-R521 WeakPolarHBondContact O-CA 3.42Å; C518-R521 PolarHBondContact O-N 2.82Å; D519-R521 VanDerWaalsContact C-N 3.26Å; D519-R521 PolarHBondContact O-N 2.99Å; R521-T538 WeakPolarHBondContact O-CB 3.27Å; R521-T538 PolarHBondContact O-OG1 3.42Å; R521-N557 PolarHBondContact NH1-OD1 3.03Å; R521-N557 PolarHBondContact NH2-OD1 2.81Å; R521-E560 IonicContact CZ-OE1 2.77Å; R521-E560 IonicContact CZ-OE2 3.87Å; R521-E560 IonicContact NH2-OE1 2.68Å; R521-E560 PolarHBondContact NH2-OE1 2.83Å; R521-E560 IonicContact NH2-OE2 3.15Å; R521-E560 PolarHBondContact NH2-OE2 3.04Å
522	K	86.9	Confident	83.6	Confident	129 Å²	129	46 Å²	46	56%	0.561	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-25.9	175.5	-64	166.8	-175.3	158.1	0	112.8	C518 D519 Q520 T538	C518-K522 PolarHBondContact O-N 3.37Å; C518-K522 VanDerWaalsContact O-N 3.1Å; D519-K522 HydrophobicContact CB-CB 4.35Å; D519-K522 WeakPolarHBondContact O-CB 3.41Å; D519-K522 WeakPolarHBondContact O-CD 3.32Å; D519-K522 WeakPolarHBondContact O-CG 3.44Å; D519-K522 PolarHBondContact O-N 3.45Å; D519-K522 VanDerWaalsContact O-N 3.07Å; Q520-K522 PolarHBondContact O-N 2.93Å; K522-T538 WeakPolarHBondContact O-CB 3.29Å; K522-T538 PolarHBondContact O-N 3.14Å; K522-T538 PolarHBondContact O-OG1 3.27Å
523	T	89.5	Confident	83.6	Confident	26 Å²	26	49 Å²	49	16%	0.16	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.2	-176.5	-51.8	0	0	0	0	110.6	C518 D519 T535	C518-T523 PolarHBondContact N-O 2.88Å; C518-T523 PolarHBondContact O-N 2.87Å; D519-T523 WeakPolarHBondContact OD2-CB 3.36Å; D519-T523 PolarHBondContact OD2-OG1 2.83Å; T523-T535 HydrophobicContact CG2-CG2 3.57Å
524	V	90.6	Very high	83.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.4	173.6	-175.2	0	0	0	0	109.3	L515 S516 L517 F536 T538 L541	L515-V524 HydrophobicContact CD1-CG1 4.12Å; L515-V524 HydrophobicContact CD2-CG1 3.68Å; L515-V524 HydrophobicContact CG-CG1 3.77Å; S516-V524 WeakPolarHBondContact O-CA 3.4Å; L517-V524 HydrophobicContact CD2-CG2 3.85Å; V524-F536 PolarHBondContact N-O 2.96Å; V524-F536 PolarHBondContact O-N 3.09Å; V524-T538 WeakPolarHBondContact CG2-OG1 3.41Å; V524-L541 HydrophobicContact CB-CD1 3.97Å; V524-L541 HydrophobicContact CG1-CD1 3.81Å; V524-L541 HydrophobicContact CG2-CD1 4.14Å
525	H	89.6	Confident	83.3	Confident	39 Å²	39	50.5 Å²	50.5	18%	0.181	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.6	166.9	-64.9	-98	0	0	0	109.2	L515 S516 C518 T535	L515-H525 CarbonylContact C-O 3.6Å; L515-H525 WeakPolarHBondContact CA-O 3.39Å; S516-H525 PolarHBondContact N-O 3.34Å; S516-H525 PolarHBondContact O-N 3.1Å; C518-H525 PolarHBondContact SG-CD2 3.2Å; H525-T535 PolarHBondContact CE1-OG1 3.36Å; H525-T535 PolarHBondContact ND1-OG1 3.47Å
526	Y	87.3	Confident	83.1	Confident	19 Å²	19	50.5 Å²	50.5	8%	0.075	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.8	177.3	-179	-115.9	0	0	0	109.8	H514 L515 L528 F534 L545	H514-Y526 WeakPolarHBondContact O-CA 3.48Å; H514-Y526 VanDerWaalsContact O-CD2 3.26Å; H514-Y526 WeakPolarHBondContact O-CD2 3.41Å; L515-Y526 HydrophobicContact CB-CD2 4.23Å; L515-Y526 HydrophobicContact CD1-CD2 4.17Å; L515-Y526 HydrophobicContact CG-CD2 4.4Å; Y526-L528 HydrophobicContact CE1-CD2 3.54Å; Y526-L528 HydrophobicContact CE1-CG 4.03Å; Y526-L528 WeakPolarHBondContact OH-CD2 3.23Å; Y526-F534 HydrophobicContact CD1-CD2 4.21Å; Y526-F534 PolarHBondContact N-O 2.92Å; Y526-F534 PolarHBondContact O-N 2.97Å; Y526-L545 HydrophobicContact CD1-CD1 3.85Å; Y526-L545 HydrophobicContact CD1-CD2 4.11Å; Y526-L545 HydrophobicContact CD2-CD1 4.44Å; Y526-L545 HydrophobicContact CD2-CD2 4.17Å; Y526-L545 HydrophobicContact CE1-CD1 4.3Å; Y526-L545 HydrophobicContact CE1-CD2 3.76Å; Y526-L545 HydrophobicContact CE2-CD2 3.83Å; Y526-L545 HydrophobicContact CG-CD1 3.92Å; Y526-L545 HydrophobicContact CG-CD2 4.3Å
527	C	84.1	Confident	83	Confident	6 Å²	6	53.8 Å²	53.8	4%	0.041	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.7	178	-170.9	0	0	0	0	110	H514 H533 L581	H514-C527 HydrophobicContact CB-CB 4.14Å; H514-C527 PolarHBondContact N-O 2.89Å; H514-C527 PolarHBondContact O-N 2.9Å; C527-H533 PolarHBondContact SG-CE1 3.16Å; C527-L581 HydrophobicContact CB-CD1 4.34Å
528	L	76.4	Confident	82.8	Confident	39 Å²	39	55.1 Å²	55.1	20%	0.204	28%	0.278	C	S	.	.			trans	-78.7	164.2	175.6	-74.7	179.2	0	0	0	112.2	R388 T513 Y526 N530 N531 K532 F534	R388-L528 PolarHBondContact NH2-O 2.79Å; T513-L528 HydrophobicContact CG2-CD2 4.33Å; Y526-L528 HydrophobicContact CE1-CD2 3.54Å; Y526-L528 HydrophobicContact CE1-CG 4.03Å; Y526-L528 WeakPolarHBondContact OH-CD2 3.23Å; L528-N530 WeakPolarHBondContact CB-OD1 3.41Å; L528-N530 PolarHBondContact O-N 3.07Å; L528-N531 PolarHBondContact O-N 3.14Å; L528-K532 HydrophobicContact CB-CB 4.49Å; L528-K532 HydrophobicContact CD1-CB 4.38Å; L528-K532 PolarHBondContact N-O 2.88Å; L528-F534 HydrophobicContact CD1-CE2 3.74Å; L528-F534 HydrophobicContact CD1-CZ 4.33Å; L528-F534 HydrophobicContact CG-CE2 4.05Å
529	T	69.6	Low	82.6	Confident	76 Å²	76	64.6 Å²	64.6	47%	0.466	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-20.8	174.6	47.4	0	0	0	0	114.1	R388 E511 G512 T513	R388-T529 PolarHBondContact NE-O 2.69Å; R388-T529 VanDerWaalsContact NE-O 3.07Å; R388-T529 PolarHBondContact NH2-O 3.31Å; R388-T529 VanDerWaalsContact NH2-O 3.14Å; E511-T529 WeakPolarHBondContact O-CG2 3.44Å; G512-T529 WeakPolarHBondContact O-CG2 3.02Å; T513-T529 HydrophobicContact CG2-CG2 4.19Å
530	N	63.5	Low	82.8	Confident	106 Å²	106	62.2 Å²	62.2	57%	0.567	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	15.4	176.9	70	-10.4	0	0	0	114.6	L528 K532	L528-N530 WeakPolarHBondContact CB-OD1 3.41Å; L528-N530 PolarHBondContact O-N 3.07Å; N530-K532 PolarHBondContact O-N 3.09Å; N530-K532 WeakPolarHBondContact OD1-CB 3.38Å; N530-K532 PolarHBondContact OD1-N 3.47Å; N530-K532 VanDerWaalsContact OD1-N 3.14Å
531	N	68.5	Low	82.9	Confident	46 Å²	46	55.2 Å²	55.2	25%	0.246	28%	0.281	C	S	.	.			trans	61.8	20.7	-175.2	-55.4	-62.4	0	0	0	115.6	R388 V444 L528 H533	R388-N531 PolarHBondContact NH1-ND2 3.04Å; R388-N531 PolarHBondContact NH1-OD1 2.92Å; R388-N531 PolarHBondContact NH2-OD1 3.2Å; V444-N531 VanDerWaalsContact CG1-ND2 3.29Å; V444-N531 WeakPolarHBondContact CG1-ND2 3.43Å; V444-N531 HydrophobicContact CG2-CB 4.24Å; L528-N531 PolarHBondContact O-N 3.14Å; N531-H533 PolarHBondContact O-CD2 2.95Å; N531-H533 PolarHBondContact O-N 2.7Å; N531-H533 PolarHBondContact O-NE2 3.24Å
532	K	70.9	Confident	82.6	Confident	105 Å²	105	52.4 Å²	52.4	46%	0.457	27%	0.272	S	S	.	.			trans	-77.6	117.3	167.4	-167.4	164	-178.4	162.6	0	109.9	L528 N530 F534	L528-K532 HydrophobicContact CB-CB 4.49Å; L528-K532 HydrophobicContact CD1-CB 4.38Å; L528-K532 PolarHBondContact N-O 2.88Å; N530-K532 PolarHBondContact O-N 3.09Å; N530-K532 WeakPolarHBondContact OD1-CB 3.38Å; N530-K532 PolarHBondContact OD1-N 3.47Å; N530-K532 VanDerWaalsContact OD1-N 3.14Å; K532-F534 HydrophobicContact CB-CE2 4.05Å; K532-F534 HydrophobicContact CB-CZ 4.46Å; K532-F534 HydrophobicContact CD-CE1 4.36Å; K532-F534 HydrophobicContact CD-CE2 4.08Å; K532-F534 HydrophobicContact CD-CZ 3.62Å; K532-F534 HydrophobicContact CG-CD2 4.44Å; K532-F534 HydrophobicContact CG-CE1 4.49Å; K532-F534 HydrophobicContact CG-CE2 3.66Å; K532-F534 HydrophobicContact CG-CZ 3.7Å
533	H	79.7	Confident	82.2	Confident	75 Å²	75	52.3 Å²	52.3	35%	0.347	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	143.5	178	-60.8	-93.5	0	0	0	111.2	C527 N531 L581	C527-H533 PolarHBondContact SG-CE1 3.16Å; N531-H533 PolarHBondContact O-CD2 2.95Å; N531-H533 PolarHBondContact O-N 2.7Å; N531-H533 PolarHBondContact O-NE2 3.24Å; H533-L581 WeakPolarHBondContact CE1-CD1 3.42Å
534	F	83.4	Confident	81.8	Confident	13 Å²	13	57.3 Å²	57.3	6%	0.057	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	136.1	173	-57.6	-94.6	0	0	0	108.8	F430 Y526 L528 K532 F536	F430-F534 HydrophobicContact CB-CE1 4.42Å; F430-F534 HydrophobicContact CD2-CD1 4.42Å; F430-F534 AromaticContact CD2-CE1 3.78Å; F430-F534 HydrophobicContact CD2-CE1 3.78Å; F430-F534 AromaticContact CD2-CZ 3.88Å; F430-F534 HydrophobicContact CD2-CZ 3.88Å; F430-F534 HydrophobicContact CE2-CE1 4.42Å; F430-F534 HydrophobicContact CE2-CZ 4.26Å; F430-F534 HydrophobicContact CG-CE1 4.29Å; Y526-F534 HydrophobicContact CD1-CD2 4.21Å; Y526-F534 PolarHBondContact N-O 2.92Å; Y526-F534 PolarHBondContact O-N 2.97Å; L528-F534 HydrophobicContact CD1-CE2 3.74Å; L528-F534 HydrophobicContact CD1-CZ 4.33Å; L528-F534 HydrophobicContact CG-CE2 4.05Å; K532-F534 HydrophobicContact CB-CE2 4.05Å; K532-F534 HydrophobicContact CB-CZ 4.46Å; K532-F534 HydrophobicContact CD-CE1 4.36Å; K532-F534 HydrophobicContact CD-CE2 4.08Å; K532-F534 HydrophobicContact CD-CZ 3.62Å; K532-F534 HydrophobicContact CG-CD2 4.44Å; K532-F534 HydrophobicContact CG-CE1 4.49Å; K532-F534 HydrophobicContact CG-CE2 3.66Å; K532-F534 HydrophobicContact CG-CZ 3.7Å; F534-F536 HydrophobicContact CB-CD2 4.28Å; F534-F536 HydrophobicContact CB-CE2 3.44Å; F534-F536 VanDerWaalsContact CB-CE2 3.44Å; F534-F536 HydrophobicContact CB-CZ 3.73Å; F534-F536 HydrophobicContact CD1-CZ 4.45Å; F534-F536 HydrophobicContact CG-CE2 4.37Å; F534-F536 HydrophobicContact CG-CZ 4.31Å
535	T	87.6	Confident	81.5	Confident	45 Å²	45	57.7 Å²	57.7	28%	0.276	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.6	174.6	-54.5	0	0	0	0	109.2	T523 H525	T523-T535 HydrophobicContact CG2-CG2 3.57Å; H525-T535 PolarHBondContact CE1-OG1 3.36Å; H525-T535 PolarHBondContact ND1-OG1 3.47Å
536	F	87.6	Confident	81.2	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.9	179.4	-54	-87.8	0	0	0	110	F430 A435 V524 F534 L541 P542 L545	F430-F536 HydrophobicContact CD1-CZ 4.48Å; F430-F536 HydrophobicContact CE1-CZ 4.26Å; A435-F536 HydrophobicContact CB-CD1 4.14Å; A435-F536 HydrophobicContact CB-CE1 3.66Å; A435-F536 HydrophobicContact CB-CZ 4.27Å; V524-F536 PolarHBondContact N-O 2.96Å; V524-F536 PolarHBondContact O-N 3.09Å; F534-F536 HydrophobicContact CB-CD2 4.28Å; F534-F536 HydrophobicContact CB-CE2 3.44Å; F534-F536 VanDerWaalsContact CB-CE2 3.44Å; F534-F536 HydrophobicContact CB-CZ 3.73Å; F534-F536 HydrophobicContact CD1-CZ 4.45Å; F534-F536 HydrophobicContact CG-CE2 4.37Å; F534-F536 HydrophobicContact CG-CZ 4.31Å; F536-L541 HydrophobicContact CB-CD1 4.03Å; F536-L541 HydrophobicContact CD2-CD1 3.95Å; F536-L541 HydrophobicContact CG-CD1 4.1Å; F536-P542 HydrophobicContact CD1-CG 4.05Å; F536-P542 HydrophobicContact CE1-CG 3.53Å; F536-P542 HydrophobicContact CZ-CG 3.88Å; F536-L545 HydrophobicContact CD2-CD1 4.43Å; F536-L545 HydrophobicContact CE2-CD1 3.83Å; F536-L545 HydrophobicContact CZ-CD1 4.32Å
537	P	90.1	Very high	80.9	Confident	71 Å²	71	63.8 Å²	63.8	46%	0.461	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	138.2	158	-21.5	31.4	0	0	0	110.4	Q539 S540 L541	P537-Q539 PolarHBondContact O-N 3.27Å; P537-S540 WeakPolarHBondContact CD-OG 3.09Å; P537-S540 PolarHBondContact O-N 3.38Å; P537-S540 PolarHBondContact O-OG 3.05Å; P537-L541 PolarHBondContact O-N 2.61Å
538	T	87.4	Confident	81.1	Confident	31 Å²	31	65 Å²	65	19%	0.19	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-55	-29.7	-177.8	-76.9	0	0	0	0	113.4	R521 K522 V524	R521-T538 WeakPolarHBondContact O-CB 3.27Å; R521-T538 PolarHBondContact O-OG1 3.42Å; K522-T538 WeakPolarHBondContact O-CB 3.29Å; K522-T538 PolarHBondContact O-N 3.14Å; K522-T538 PolarHBondContact O-OG1 3.27Å; V524-T538 WeakPolarHBondContact CG2-OG1 3.41Å
539	Q	85.5	Confident	81.8	Confident	201 Å²	201	64.7 Å²	64.7	94%	0.939	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-76.2	-24.2	179.4	-62.4	178.4	1.1	0	0	113.6	P537	P537-Q539 PolarHBondContact O-N 3.27Å
540	S	88.1	Confident	82.6	Confident	46 Å²	46	67.2 Å²	67.2	32%	0.322	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-110.5	20.6	-178.3	56.9	0	0	0	0	113.1	P537	P537-S540 WeakPolarHBondContact CD-OG 3.09Å; P537-S540 PolarHBondContact O-N 3.38Å; P537-S540 PolarHBondContact O-OG 3.05Å
541	L	85.6	Confident	83.8	Confident	13 Å²	13	63.5 Å²	63.5	7%	0.068	32%	0.317	C	S	.	.			trans	-64	128.4	178.7	-170.8	73.2	0	0	0	111.4	V524 F536 P537 L545 K549	V524-L541 HydrophobicContact CB-CD1 3.97Å; V524-L541 HydrophobicContact CG1-CD1 3.81Å; V524-L541 HydrophobicContact CG2-CD1 4.14Å; F536-L541 HydrophobicContact CB-CD1 4.03Å; F536-L541 HydrophobicContact CD2-CD1 3.95Å; F536-L541 HydrophobicContact CG-CD1 4.1Å; P537-L541 PolarHBondContact O-N 2.61Å; L541-L545 HydrophobicContact CD1-CB 4.06Å; L541-L545 HydrophobicContact CD1-CD1 4.04Å; L541-L545 HydrophobicContact CD2-CB 4.08Å; L541-L545 HydrophobicContact CG-CB 4.01Å; L541-K549 HydrophobicContact CD2-CB 3.66Å; L541-K549 HydrophobicContact CD2-CD 3.98Å; L541-K549 HydrophobicContact CD2-CG 3.83Å
542	P	83.1	Confident	84.9	Confident	14 Å²	14	61.3 Å²	61.3	9%	0.091	31%	0.305	C	S	.	.			trans	-54.1	144.9	176	-27.9	35.4	0	0	0	113.4	F430 T433 F536 Q544 L545	F430-P542 HydrophobicContact CD1-CG 4.34Å; F430-P542 HydrophobicContact CE1-CB 4.05Å; F430-P542 HydrophobicContact CE1-CG 3.77Å; T433-P542 HydrophobicContact CG2-CG 4.46Å; F536-P542 HydrophobicContact CD1-CG 4.05Å; F536-P542 HydrophobicContact CE1-CG 3.53Å; F536-P542 HydrophobicContact CZ-CG 3.88Å; P542-Q544 PolarHBondContact O-N 3.24Å; P542-Q544 VanDerWaalsContact O-N 3.13Å; P542-L545 PolarHBondContact O-N 2.91Å
543	E	78.3	Confident	85.8	Confident	127 Å²	127	58.8 Å²	58.8	59%	0.593	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-55.6	-37.9	-174.2	-47.7	-136.3	119	0	0	112.6	L545 R546	E543-L545 PolarHBondContact O-N 3.47Å; E543-R546 WeakPolarHBondContact O-CB 3.43Å; E543-R546 PolarHBondContact O-N 3Å; E543-R546 IonicContact OE1-CZ 3.27Å; E543-R546 IonicContact OE1-NH1 3.72Å; E543-R546 PolarHBondContact OE1-NH1 2.87Å; E543-R546 IonicContact OE1-NH2 3.76Å; E543-R546 PolarHBondContact OE1-NH2 2.81Å; E543-R546 IonicContact OE2-NH1 2.64Å
544	Q	81.3	Confident	86.2	Confident	132 Å²	132	60 Å²	60	62%	0.617	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-62.9	-27.1	-178.4	-58.7	80.8	2.4	0	0	112.8	P542	P542-Q544 PolarHBondContact O-N 3.24Å; P542-Q544 VanDerWaalsContact O-N 3.13Å
545	L	83.3	Confident	86.5	Confident	7 Å²	7	59.5 Å²	59.5	4%	0.037	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-94.5	-7	-178.5	-59.1	-177.7	0	0	0	113.1	Y526 F536 L541 P542 E543 S547 Q548 K549	Y526-L545 HydrophobicContact CD1-CD1 3.85Å; Y526-L545 HydrophobicContact CD1-CD2 4.11Å; Y526-L545 HydrophobicContact CD2-CD1 4.44Å; Y526-L545 HydrophobicContact CD2-CD2 4.17Å; Y526-L545 HydrophobicContact CE1-CD1 4.3Å; Y526-L545 HydrophobicContact CE1-CD2 3.76Å; Y526-L545 HydrophobicContact CE2-CD2 3.83Å; Y526-L545 HydrophobicContact CG-CD1 3.92Å; Y526-L545 HydrophobicContact CG-CD2 4.3Å; F536-L545 HydrophobicContact CD2-CD1 4.43Å; F536-L545 HydrophobicContact CE2-CD1 3.83Å; F536-L545 HydrophobicContact CZ-CD1 4.32Å; L541-L545 HydrophobicContact CD1-CB 4.06Å; L541-L545 HydrophobicContact CD1-CD1 4.04Å; L541-L545 HydrophobicContact CD2-CB 4.08Å; L541-L545 HydrophobicContact CG-CB 4.01Å; P542-L545 PolarHBondContact O-N 2.91Å; E543-L545 PolarHBondContact O-N 3.47Å; L545-S547 VanDerWaalsContact C-N 3.32Å; L545-S547 PolarHBondContact O-N 2.92Å; L545-Q548 PolarHBondContact O-N 2.93Å; L545-K549 WeakPolarHBondContact O-CB 3.43Å; L545-K549 PolarHBondContact O-N 2.9Å
546	R	84.1	Confident	86.5	Confident	118 Å²	118	57.3 Å²	57.3	45%	0.445	29%	0.288	S	S	.	.	H	α-helix	trans	-62.5	-36.2	-177.3	-66.6	-175.7	-170.1	137.8	1.6	113.1	E543 K549 Q550	E543-R546 WeakPolarHBondContact O-CB 3.43Å; E543-R546 PolarHBondContact O-N 3Å; E543-R546 IonicContact OE1-CZ 3.27Å; E543-R546 IonicContact OE1-NH1 3.72Å; E543-R546 PolarHBondContact OE1-NH1 2.87Å; E543-R546 IonicContact OE1-NH2 3.76Å; E543-R546 PolarHBondContact OE1-NH2 2.81Å; E543-R546 IonicContact OE2-NH1 2.64Å; R546-K549 PolarHBondContact O-N 3.22Å; R546-Q550 WeakPolarHBondContact O-CG 3.37Å; R546-Q550 PolarHBondContact O-N 3.27Å
547	S	81	Confident	86.4	Confident	69 Å²	69	60.3 Å²	60.3	48%	0.483	30%	0.304	S	S	.	.	H	α-helix	trans	-66.4	-43.7	177.2	55.6	0	0	0	0	112	L545 Q550 I551	L545-S547 VanDerWaalsContact C-N 3.32Å; L545-S547 PolarHBondContact O-N 2.92Å; S547-Q550 PolarHBondContact O-N 2.99Å; S547-I551 WeakPolarHBondContact O-CD1 3.37Å; S547-I551 WeakPolarHBondContact O-CG1 2.98Å; S547-I551 PolarHBondContact O-N 2.91Å
548	Q	87.3	Confident	86.1	Confident	30 Å²	30	61.3 Å²	61.3	14%	0.14	30%	0.3	C	S	.	.	H	α-helix	trans	-63	-43.7	172.9	-69.5	-172.6	-82	0	0	111	F509 T513 L515 L545 Q550 I551 V552	F509-Q548 VanDerWaalsContact CD2-NE2 3.34Å; F509-Q548 HydrophobicContact CE1-CB 4.16Å; F509-Q548 HydrophobicContact CE1-CG 4.06Å; F509-Q548 HydrophobicContact CE2-CB 4.16Å; F509-Q548 HydrophobicContact CE2-CG 4.38Å; F509-Q548 HydrophobicContact CZ-CB 3.65Å; F509-Q548 HydrophobicContact CZ-CG 3.97Å; T513-Q548 PolarHBondContact OG1-NE2 3.47Å; T513-Q548 VanDerWaalsContact OG1-NE2 3.09Å; L515-Q548 HydrophobicContact CD1-CB 3.9Å; L545-Q548 PolarHBondContact O-N 2.93Å; Q548-Q550 PolarHBondContact O-N 2.86Å; Q548-I551 WeakPolarHBondContact O-CB 3.45Å; Q548-I551 PolarHBondContact O-N 2.81Å; Q548-I551 VanDerWaalsContact O-N 3.1Å; Q548-V552 WeakPolarHBondContact O-CG2 3.08Å; Q548-V552 PolarHBondContact O-N 3.05Å
549	K	91.5	Very high	86.2	Confident	33 Å²	33	59.9 Å²	59.9	14%	0.143	29%	0.291	C	S	.	.	H	α-helix	trans	-57.8	-45.7	176.3	-165.8	-132.7	-175.8	-157.9	0	112.5	L517 L541 L545 R546 I551 V552 E553	L517-K549 HydrophobicContact CD2-CG 4.07Å; L541-K549 HydrophobicContact CD2-CB 3.66Å; L541-K549 HydrophobicContact CD2-CD 3.98Å; L541-K549 HydrophobicContact CD2-CG 3.83Å; L545-K549 WeakPolarHBondContact O-CB 3.43Å; L545-K549 PolarHBondContact O-N 2.9Å; R546-K549 PolarHBondContact O-N 3.22Å; K549-I551 VanDerWaalsContact C-N 3.26Å; K549-I551 PolarHBondContact O-N 3.29Å; K549-V552 PolarHBondContact O-N 3.19Å; K549-V552 VanDerWaalsContact O-N 3.1Å; K549-E553 WeakPolarHBondContact CE-OE1 3.25Å; K549-E553 IonicContact NZ-OE1 3.94Å; K549-E553 PolarHBondContact NZ-OE1 2.9Å; K549-E553 IonicContact NZ-OE2 2.77Å; K549-E553 WeakPolarHBondContact O-CG 3.42Å; K549-E553 PolarHBondContact O-N 2.81Å
550	Q	87.4	Confident	86.1	Confident	129 Å²	129	54 Å²	54	60%	0.603	26%	0.263	S	S	*	.	H	α-helix	trans	-59.2	-35.7	175.2	-76.3	174	-8	0	0	112.7	R546 S547 Q548 E553 L554	R546-Q550 WeakPolarHBondContact O-CG 3.37Å; R546-Q550 PolarHBondContact O-N 3.27Å; S547-Q550 PolarHBondContact O-N 2.99Å; Q548-Q550 PolarHBondContact O-N 2.86Å; Q550-E553 PolarHBondContact O-N 2.78Å; Q550-L554 WeakPolarHBondContact O-CB 3.38Å; Q550-L554 PolarHBondContact O-N 2.92Å
551	I	88.6	Confident	85.9	Confident	28 Å²	28	59 Å²	59	14%	0.144	28%	0.282	C	S	.	.	H	α-helix	trans	-67.5	-41.8	174.9	-67.6	159.6	0	0	0	110.8	Y494 F509 S547 Q548 K549 L554 M555	Y494-I551 HydrophobicContact CD1-CD1 3.5Å; Y494-I551 VanDerWaalsContact CD1-CD1 3.5Å; Y494-I551 HydrophobicContact CD1-CG1 3.91Å; Y494-I551 HydrophobicContact CD1-CG2 4.03Å; Y494-I551 HydrophobicContact CD2-CG2 4.19Å; Y494-I551 HydrophobicContact CE1-CD1 3.6Å; Y494-I551 HydrophobicContact CE1-CG1 3.82Å; Y494-I551 HydrophobicContact CG-CD1 4.36Å; Y494-I551 HydrophobicContact CG-CG1 4.45Å; Y494-I551 HydrophobicContact CG-CG2 3.78Å; F509-I551 HydrophobicContact CE1-CB 4.21Å; F509-I551 HydrophobicContact CE1-CD1 4.17Å; F509-I551 HydrophobicContact CE1-CG2 3.93Å; F509-I551 HydrophobicContact CZ-CG2 4.45Å; S547-I551 WeakPolarHBondContact O-CD1 3.37Å; S547-I551 WeakPolarHBondContact O-CG1 2.98Å; S547-I551 PolarHBondContact O-N 2.91Å; Q548-I551 WeakPolarHBondContact O-CB 3.45Å; Q548-I551 PolarHBondContact O-N 2.81Å; Q548-I551 VanDerWaalsContact O-N 3.1Å; K549-I551 VanDerWaalsContact C-N 3.26Å; K549-I551 PolarHBondContact O-N 3.29Å; I551-L554 WeakPolarHBondContact O-CB 3.46Å; I551-L554 PolarHBondContact O-N 2.84Å; I551-M555 HydrophobicContact CG2-CE 3.75Å; I551-M555 WeakPolarHBondContact O-CG 3.43Å; I551-M555 PolarHBondContact O-N 2.94Å
552	V	91.5	Very high	85.5	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.1	-41.7	174.6	-173.5	0	0	0	0	111.1	I505 V507 F509 L515 L517 Q548 K549 L554 M555 A556	I505-V552 HydrophobicContact CG2-CG1 3.99Å; V507-V552 HydrophobicContact CB-CG2 3.87Å; V507-V552 HydrophobicContact CG2-CB 4.15Å; V507-V552 HydrophobicContact CG2-CG1 4.08Å; V507-V552 HydrophobicContact CG2-CG2 3.66Å; F509-V552 HydrophobicContact CE2-CG2 4.35Å; F509-V552 HydrophobicContact CZ-CG2 4Å; L515-V552 HydrophobicContact CB-CG2 4.15Å; L515-V552 HydrophobicContact CD2-CB 4.24Å; L515-V552 HydrophobicContact CD2-CG2 3.65Å; L515-V552 HydrophobicContact CG-CG2 4.45Å; L517-V552 HydrophobicContact CD1-CB 4.24Å; L517-V552 HydrophobicContact CD1-CG1 3.82Å; L517-V552 HydrophobicContact CG-CB 4.35Å; L517-V552 HydrophobicContact CG-CG1 3.76Å; Q548-V552 WeakPolarHBondContact O-CG2 3.08Å; Q548-V552 PolarHBondContact O-N 3.05Å; K549-V552 PolarHBondContact O-N 3.19Å; K549-V552 VanDerWaalsContact O-N 3.1Å; V552-L554 PolarHBondContact O-N 2.93Å; V552-M555 PolarHBondContact O-N 3.06Å; V552-A556 WeakPolarHBondContact O-CB 3.18Å; V552-A556 PolarHBondContact O-N 3.1Å
553	E	90.1	Very high	85.4	Confident	52 Å²	52	64.9 Å²	64.9	24%	0.243	31%	0.312	C	S	.	.	H	α-helix	trans	-62.8	-38.2	174.7	-69.6	174.4	146.6	0	0	112.6	L517 K549 Q550 A556 N557	L517-E553 HydrophobicContact CD1-CG 3.75Å; K549-E553 WeakPolarHBondContact CE-OE1 3.25Å; K549-E553 IonicContact NZ-OE1 3.94Å; K549-E553 PolarHBondContact NZ-OE1 2.9Å; K549-E553 IonicContact NZ-OE2 2.77Å; K549-E553 WeakPolarHBondContact O-CG 3.42Å; K549-E553 PolarHBondContact O-N 2.81Å; Q550-E553 PolarHBondContact O-N 2.78Å; E553-A556 PolarHBondContact O-N 2.95Å; E553-N557 WeakPolarHBondContact O-CB 3.27Å; E553-N557 PolarHBondContact O-N 3.42Å; E553-N557 PolarHBondContact O-ND2 3.05Å
554	L	86.9	Confident	85.3	Confident	102 Å²	102	65.6 Å²	65.6	53%	0.534	32%	0.317	S	S	.	.	H	α-helix	trans	-62.7	-48.9	174.5	-173	87.3	0	0	0	111.4	Q550 I551 V552 Y558	Q550-L554 WeakPolarHBondContact O-CB 3.38Å; Q550-L554 PolarHBondContact O-N 2.92Å; I551-L554 WeakPolarHBondContact O-CB 3.46Å; I551-L554 PolarHBondContact O-N 2.84Å; V552-L554 PolarHBondContact O-N 2.93Å; L554-Y558 WeakPolarHBondContact O-CB 3.4Å; L554-Y558 PolarHBondContact O-N 2.89Å; L554-Y558 VanDerWaalsContact O-N 3.08Å
555	M	89.6	Confident	84.8	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-65.9	-38.9	178.4	-66.7	-167.7	-165.6	0	0	111.8	V488 Y490 Y494 V507 I551 V552 Y558 M559	V488-M555 HydrophobicContact CG2-CB 3.97Å; V488-M555 HydrophobicContact CG2-CG 4.06Å; V488-M555 HydrophobicContact CG2-SD 3.92Å; Y490-M555 HydrophobicContact CD2-CE 3.9Å; Y490-M555 HydrophobicContact CD2-CG 3.94Å; Y490-M555 HydrophobicContact CD2-SD 3.98Å; Y490-M555 HydrophobicContact CE2-CG 4.29Å; Y490-M555 HydrophobicContact CG-CE 4.11Å; Y494-M555 HydrophobicContact CD2-CE 4.19Å; Y494-M555 HydrophobicContact CG-CE 4.27Å; V507-M555 HydrophobicContact CG1-CE 4.25Å; V507-M555 HydrophobicContact CG1-SD 4.22Å; V507-M555 HydrophobicContact CG2-SD 3.61Å; I551-M555 HydrophobicContact CG2-CE 3.75Å; I551-M555 WeakPolarHBondContact O-CG 3.43Å; I551-M555 PolarHBondContact O-N 2.94Å; V552-M555 PolarHBondContact O-N 3.06Å; M555-Y558 PolarHBondContact O-N 2.92Å; M555-M559 HydrophobicContact CB-CE 4.48Å; M555-M559 WeakPolarHBondContact O-CG 3.27Å; M555-M559 PolarHBondContact O-N 3.08Å
556	A	88.6	Confident	83.8	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-56.6	-58.4	174.9	0	0	0	0	0	111.7	I505 V552 E553 Y558 M559 E560	I505-A556 HydrophobicContact CB-CB 4.47Å; I505-A556 HydrophobicContact CD1-CB 3.35Å; I505-A556 HydrophobicContact CG1-CB 4.43Å; I505-A556 HydrophobicContact CG2-CB 4Å; V552-A556 WeakPolarHBondContact O-CB 3.18Å; V552-A556 PolarHBondContact O-N 3.1Å; E553-A556 PolarHBondContact O-N 2.95Å; A556-Y558 PolarHBondContact O-N 2.9Å; A556-M559 PolarHBondContact O-N 3.25Å; A556-M559 VanDerWaalsContact O-N 3.1Å; A556-E560 WeakPolarHBondContact O-CG 3.31Å; A556-E560 PolarHBondContact O-N 3.5Å
557	N	86.2	Confident	83.1	Confident	62 Å²	62	61.1 Å²	61.1	33%	0.332	31%	0.308	S	S	.	.	H	α-helix	trans	-59.6	-36.7	-179.1	-64.5	-20.1	0	0	0	111.2	R521 E553 Q561	R521-N557 PolarHBondContact NH1-OD1 3.03Å; R521-N557 PolarHBondContact NH2-OD1 2.81Å; E553-N557 WeakPolarHBondContact O-CB 3.27Å; E553-N557 PolarHBondContact O-N 3.42Å; E553-N557 PolarHBondContact O-ND2 3.05Å; N557-Q561 VanDerWaalsContact O-CB 3.27Å; N557-Q561 WeakPolarHBondContact O-CB 3.48Å; N557-Q561 WeakPolarHBondContact O-CG 3.3Å; N557-Q561 PolarHBondContact O-N 3.47Å
558	Y	83.4	Confident	82.4	Confident	93 Å²	93	61.9 Å²	61.9	37%	0.365	31%	0.307	S	S	.	.	H	α-helix	trans	-63.8	-48.8	174.4	-179.3	-85.4	0	0	0	112.3	V488 L554 M555 A556 E560 Q561 N562	V488-Y558 HydrophobicContact CG1-CD1 3.54Å; V488-Y558 HydrophobicContact CG1-CE1 3.64Å; L554-Y558 WeakPolarHBondContact O-CB 3.4Å; L554-Y558 PolarHBondContact O-N 2.89Å; L554-Y558 VanDerWaalsContact O-N 3.08Å; M555-Y558 PolarHBondContact O-N 2.92Å; A556-Y558 PolarHBondContact O-N 2.9Å; Y558-E560 VanDerWaalsContact C-N 3.34Å; Y558-E560 PolarHBondContact O-N 2.87Å; Y558-Q561 PolarHBondContact O-N 3.38Å; Y558-N562 HydrophobicContact CE1-CB 4.28Å; Y558-N562 HydrophobicContact CE2-CB 4.23Å; Y558-N562 VanDerWaalsContact O-CB 3.3Å; Y558-N562 WeakPolarHBondContact O-CB 3.49Å; Y558-N562 PolarHBondContact O-N 3.01Å; Y558-N562 PolarHBondContact O-ND2 3.2Å
559	M	88.1	Confident	81.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-39.4	-179.8	-72.9	-171.6	-72	0	0	112.2	K486 V488 Q499 I505 M555 A556 L563	K486-M559 HydrophobicContact CB-CB 4.33Å; K486-M559 HydrophobicContact CB-CG 4.48Å; K486-M559 HydrophobicContact CB-SD 4.2Å; K486-M559 HydrophobicContact CD-CB 4.32Å; K486-M559 WeakPolarHBondContact CD-O 3.17Å; K486-M559 PolarHBondContact NZ-O 3Å; V488-M559 HydrophobicContact CG1-CG 3.78Å; V488-M559 HydrophobicContact CG1-SD 4.46Å; V488-M559 HydrophobicContact CG2-CE 4.47Å; V488-M559 HydrophobicContact CG2-CG 4.12Å; V488-M559 HydrophobicContact CG2-SD 4.06Å; Q499-M559 HydrophobicContact CB-CE 4.14Å; Q499-M559 HydrophobicContact CB-SD 4.2Å; I505-M559 HydrophobicContact CG2-CE 3.66Å; M555-M559 HydrophobicContact CB-CE 4.48Å; M555-M559 WeakPolarHBondContact O-CG 3.27Å; M555-M559 PolarHBondContact O-N 3.08Å; A556-M559 PolarHBondContact O-N 3.25Å; A556-M559 VanDerWaalsContact O-N 3.1Å; M559-L563 HydrophobicContact CB-CD1 4.25Å; M559-L563 HydrophobicContact CG-CD1 3.89Å; M559-L563 WeakPolarHBondContact O-CB 3.39Å; M559-L563 PolarHBondContact O-N 3.03Å
560	E	85.1	Confident	80.2	Confident	77 Å²	77	66 Å²	66	36%	0.36	34%	0.338	S	S	.	.	H	α-helix	trans	-66.4	-46.1	177.1	-72.3	166.3	-176.3	0	0	112.2	R521 A556 Y558	R521-E560 IonicContact CZ-OE1 2.77Å; R521-E560 IonicContact CZ-OE2 3.87Å; R521-E560 IonicContact NH2-OE1 2.68Å; R521-E560 PolarHBondContact NH2-OE1 2.83Å; R521-E560 IonicContact NH2-OE2 3.15Å; R521-E560 PolarHBondContact NH2-OE2 3.04Å; A556-E560 WeakPolarHBondContact O-CG 3.31Å; A556-E560 PolarHBondContact O-N 3.5Å; Y558-E560 VanDerWaalsContact C-N 3.34Å; Y558-E560 PolarHBondContact O-N 2.87Å
561	Q	82.3	Confident	78.9	Confident	153 Å²	153	61.6 Å²	61.6	72%	0.715	32%	0.321	S	S	*	.	H	α-helix	trans	-80	-30.4	-174.5	-67.5	170.7	7.1	0	0	114.3	N557 Y558	N557-Q561 VanDerWaalsContact O-CB 3.27Å; N557-Q561 WeakPolarHBondContact O-CB 3.48Å; N557-Q561 WeakPolarHBondContact O-CG 3.3Å; N557-Q561 PolarHBondContact O-N 3.47Å; Y558-Q561 PolarHBondContact O-N 3.38Å
562	N	77.2	Confident	77.5	Confident	94 Å²	94	67.6 Å²	67.6	50%	0.503	35%	0.348	S	S	.	.	H	α-helix	trans	-115.6	-13.8	-166.6	-58	-90.4	0	0	0	114.6	Y558	Y558-N562 HydrophobicContact CE1-CB 4.28Å; Y558-N562 HydrophobicContact CE2-CB 4.23Å; Y558-N562 VanDerWaalsContact O-CB 3.3Å; Y558-N562 WeakPolarHBondContact O-CB 3.49Å; Y558-N562 PolarHBondContact O-N 3.01Å; Y558-N562 PolarHBondContact O-ND2 3.2Å
563	L	81	Confident	75.5	Confident	56 Å²	56	76.4 Å²	76.4	29%	0.293	39%	0.39	S	S	.	.			trans	-117.3	137.9	-176.1	-53.4	-179.8	0	0	0	111.7	K486 W487 V488 M559	K486-L563 HydrophobicContact CB-CD1 4.19Å; K486-L563 HydrophobicContact CD-CB 4.07Å; K486-L563 WeakPolarHBondContact CE-O 3.36Å; K486-L563 HydrophobicContact CG-CB 4.27Å; K486-L563 PolarHBondContact NZ-O 2.83Å; W487-L563 WeakPolarHBondContact O-CD1 3.29Å; V488-L563 HydrophobicContact CG1-CD1 4.18Å; M559-L563 HydrophobicContact CB-CD1 4.25Å; M559-L563 HydrophobicContact CG-CD1 3.89Å; M559-L563 WeakPolarHBondContact O-CB 3.39Å; M559-L563 PolarHBondContact O-N 3.03Å
564	M	76.6	Confident	73.7	Confident	142 Å²	142	82.8 Å²	82.8	70%	0.7	42%	0.42	S	S	*	.			trans	-73.8	161.2	169.5	-66.2	179.5	-80.3	0	0	111.4
565	E	72	Confident	72.1	Confident	134 Å²	134	80.7 Å²	80.7	63%	0.626	41%	0.413	S	S	*	.			trans	-71.3	149.9	172.4	-67.1	-179.3	164.7	0	0	112.7	R631	E565-R631 PolarHBondContact O-NH1 2.83Å
566	G	61.9	Low	70.3	Confident	11 Å²	11	87.2 Å²	87.2	11%	0.113	46%	0.459	C	S	.	.	S	Bend	trans	-86.6	-5.5	-164.7	0	0	0	0	0	116.9	K611	G566-K611 WeakPolarHBondContact O-CE 3.35Å
567	G	68.3	Low	69.1	Low	17 Å²	17	89.2 Å²	89.2	18%	0.175	48%	0.48	C	S	.	.			trans	173	173.8	-172.3	0	0	0	0	0	111.3
568	D	67.4	Low	68.1	Low	85 Å²	85	91.3 Å²	91.3	46%	0.455	50%	0.497	S	S	.	.			trans	-97.1	11	-177.1	67.5	-7.7	0	0	0	115.1	P570 R631 V632 S633	D568-P570 VanDerWaalsContact O-CD 3.27Å; D568-P570 WeakPolarHBondContact O-CD 3.48Å; D568-R631 PolarHBondContact N-O 2.79Å; D568-V632 WeakPolarHBondContact OD2-CA 3.43Å; D568-S633 WeakPolarHBondContact OD1-CB 3.5Å; D568-S633 PolarHBondContact OD1-N 2.89Å; D568-S633 PolarHBondContact OD1-OG 3.23Å
569	L	72.1	Confident	67.8	Low	31 Å²	31	87.4 Å²	87.4	16%	0.162	48%	0.483	C	S	.	.			trans	-63.8	116.4	178.6	-74.7	162.9	0	0	0	111.5	W483 T625 I627 S633	W483-L569 HydrophobicContact CD2-CD1 4.22Å; W483-L569 HydrophobicContact CZ2-CB 3.9Å; W483-L569 HydrophobicContact CZ2-CD1 3.88Å; W483-L569 HydrophobicContact CZ2-CG 4.4Å; L569-T625 HydrophobicContact CD1-CG2 3.95Å; L569-T625 HydrophobicContact CD2-CG2 4.34Å; L569-I627 HydrophobicContact CD1-CD1 3.98Å; L569-I627 HydrophobicContact CD1-CG1 4.42Å; L569-S633 VanDerWaalsContact CD2-OG 3.24Å; L569-S633 WeakPolarHBondContact CD2-OG 3.32Å; L569-S633 VanDerWaalsContact CG-CB 3.41Å; L569-S633 WeakPolarHBondContact CG-OG 3.21Å
570	P	59.5	Low	67.7	Low	119 Å²	119	88 Å²	88	77%	0.773	49%	0.486	S	S	*	.			trans	-67.6	135.6	168.7	29.2	-33.1	0	0	0	109.9	D568	D568-P570 VanDerWaalsContact O-CD 3.27Å; D568-P570 WeakPolarHBondContact O-CD 3.48Å
571	C	60.7	Low	67.7	Low	36 Å²	36	85.1 Å²	85.1	24%	0.243	47%	0.474	C	S	.	.			trans	-104.5	118.3	170.8	-168.9	0	0	0	0	108.3	S501	S501-C571 PolarHBondContact OG-SG 3.33Å
572	E	58.3	Low	68.2	Low	154 Å²	154	78 Å²	78	72%	0.72	44%	0.44	S	S	*	.			trans	-69.2	137.2	168.6	-66.8	-167.1	159.9	0	0	109.7	Q574	E572-Q574 PolarHBondContact O-N 3.14Å
573	E	51.5	Low	68.6	Low	186 Å²	186	74.6 Å²	74.6	87%	0.869	42%	0.422	S	S	*	.	S	Bend	trans	-72	0.3	-166.9	-63	-170.3	136.1	0	0	114.9
574	Q	52.2	Low	68.9	Low	186 Å²	186	72 Å²	72	87%	0.869	41%	0.408	S	S	*	.			trans	-126.9	77.3	-169.5	-63.6	-174.3	18.4	0	0	113.3	E572	E572-Q574 PolarHBondContact O-N 3.14Å
575	S	53	Low	69.6	Low	57 Å²	57	65.4 Å²	65.4	40%	0.399	38%	0.376	S	S	.	.			trans	-98	109.1	155.9	64.3	0	0	0	0	109.1	G577	S575-G577 PolarHBondContact O-N 3.15Å
576	S	51.8	Low	70.3	Confident	138 Å²	138	59.4 Å²	59.4	97%	0.965	35%	0.348	S	S	*	.			trans	-76.8	31.4	-172.4	55.5	0	0	0	0	115.3
577	G	61.9	Low	71.3	Confident	43 Å²	43	62.2 Å²	62.2	44%	0.443	36%	0.357	S	S	.	.	S	Bend	trans	-136.9	165.1	-176.6	0	0	0	0	0	113.1	S575	S575-G577 PolarHBondContact O-N 3.15Å
578	P	65.6	Low	72.1	Confident	106 Å²	106	61.6 Å²	61.6	69%	0.688	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-61.4	140.8	176.2	27.6	-34.5	0	0	0	110.5
579	P	77.3	Confident	72.7	Confident	11 Å²	11	62.5 Å²	62.5	7%	0.071	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-65.6	151	-177.6	26.3	-34.3	0	0	0	111.8	L482 L500 C518 L581	L482-P579 HydrophobicContact CD1-CB 4.21Å; L500-P579 HydrophobicContact CD1-CB 3.67Å; C518-P579 VanDerWaalsContact SG-CG 3.55Å; P579-L581 PolarHBondContact O-N 2.88Å
580	P	85.4	Confident	73.2	Confident	11 Å²	11	63.1 Å²	63.1	7%	0.071	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-61.2	135.1	179.7	27.6	-36.5	0	0	0	111.1	L482 Y498 L500 F596	L482-P580 HydrophobicContact CB-CG 3.87Å; Y498-P580 PolarHBondContact OH-O 3.28Å; L500-P580 HydrophobicContact CD1-CG 3.95Å; L500-P580 HydrophobicContact CD2-CG 4.25Å; P580-F596 HydrophobicContact CB-CB 4.19Å; P580-F596 HydrophobicContact CB-CD1 3.76Å; P580-F596 HydrophobicContact CB-CG 4.21Å; P580-F596 HydrophobicContact CG-CD1 4.37Å
581	L	86.8	Confident	74.7	Confident	18 Å²	18	57.4 Å²	57.4	9%	0.094	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-100.4	127.8	-176.7	-54.9	176.5	0	0	0	109.4	Y498 C527 H533 P579 L583 F596 N597	Y498-L581 WeakPolarHBondContact OH-CA 3.35Å; C527-L581 HydrophobicContact CB-CD1 4.34Å; H533-L581 WeakPolarHBondContact CE1-CD1 3.42Å; P579-L581 PolarHBondContact O-N 2.88Å; L581-L583 PolarHBondContact O-N 2.9Å; L581-L583 VanDerWaalsContact O-N 3.14Å; L581-F596 VanDerWaalsContact C-CD1 3.45Å; L581-F596 WeakPolarHBondContact O-CA 3.48Å; L581-F596 WeakPolarHBondContact O-CD1 3.28Å; L581-N597 HydrophobicContact CB-CB 4.47Å; L581-N597 PolarHBondContact N-OD1 3.21Å; L581-N597 PolarHBondContact O-N 3.1Å
582	L	91.1	Very high	76.2	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.016	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	111.5	177.3	-176.2	69.2	0	0	0	109	F496 Y498 L508 Q584 W585 M594 F596	F496-L582 HydrophobicContact CD1-CD2 3.47Å; F496-L582 VanDerWaalsContact CD1-CD2 3.47Å; F496-L582 HydrophobicContact CE1-CD2 4.06Å; F496-L582 HydrophobicContact CG-CD2 4.31Å; Y498-L582 HydrophobicContact CD1-CB 4.07Å; Y498-L582 HydrophobicContact CD1-CD2 3.98Å; Y498-L582 HydrophobicContact CE1-CB 3.45Å; Y498-L582 VanDerWaalsContact CE1-CB 3.45Å; Y498-L582 HydrophobicContact CE1-CD2 4.18Å; Y498-L582 HydrophobicContact CE1-CG 4.45Å; Y498-L582 PolarHBondContact OH-N 2.73Å; Y498-L582 VanDerWaalsContact OH-N 3.15Å; L508-L582 HydrophobicContact CB-CD2 4.25Å; L508-L582 HydrophobicContact CD2-CD2 4.29Å; L508-L582 HydrophobicContact CD2-CG 4.29Å; L582-Q584 VanDerWaalsContact CD1-O 3.32Å; L582-Q584 WeakPolarHBondContact CD1-O 3.47Å; L582-W585 HydrophobicContact CD2-CB 4.39Å; L582-M594 HydrophobicContact CD1-CB 3.65Å; L582-M594 HydrophobicContact CD1-CG 3.93Å; L582-F596 HydrophobicContact CB-CD1 4.37Å; L582-F596 HydrophobicContact CB-CE1 3.87Å; L582-F596 HydrophobicContact CB-CZ 4.33Å; L582-F596 HydrophobicContact CD1-CE1 4.1Å; L582-F596 HydrophobicContact CD1-CE2 4.05Å; L582-F596 HydrophobicContact CD1-CZ 3.76Å
583	L	87.3	Confident	77.9	Confident	22 Å²	22	48.6 Å²	48.6	12%	0.115	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-41.7	175.1	-67.4	178.4	0	0	0	111.2	L445 P447 V450 L581 L595 N597	L445-L583 VanDerWaalsContact O-CD1 3.28Å; L445-L583 WeakPolarHBondContact O-CD1 3.26Å; P447-L583 HydrophobicContact CG-CB 4.08Å; V450-L583 HydrophobicContact CG2-CD1 4.19Å; L581-L583 PolarHBondContact O-N 2.9Å; L581-L583 VanDerWaalsContact O-N 3.14Å; L583-L595 WeakPolarHBondContact CB-O 3.44Å; L583-L595 PolarHBondContact N-O 3.1Å; L583-N597 HydrophobicContact CD1-CB 4.35Å; L583-N597 HydrophobicContact CD2-CB 3.89Å; L583-N597 HydrophobicContact CG-CB 4.02Å
584	Q	87.6	Confident	80	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	149.6	-173.9	-177.7	168	55.9	0	0	110	N387 P447 L582 V586 L595 H664	N387-Q584 PolarHBondContact OD1-NE2 3.03Å; P447-Q584 HydrophobicContact CB-CB 3.83Å; P447-Q584 HydrophobicContact CB-CG 4.49Å; P447-Q584 HydrophobicContact CG-CB 4.14Å; L582-Q584 VanDerWaalsContact CD1-O 3.32Å; L582-Q584 WeakPolarHBondContact CD1-O 3.47Å; Q584-V586 HydrophobicContact CG-CG2 4.4Å; Q584-L595 HydrophobicContact CB-CB 4.47Å; Q584-L595 HydrophobicContact CB-CD1 4.36Å; Q584-L595 PolarHBondContact N-O 3.35Å; Q584-L595 PolarHBondContact O-N 3.35Å; Q584-H664 PolarHBondContact OE1-CE1 3.47Å; Q584-H664 PolarHBondContact OE1-NE2 3.46Å
585	W	90.6	Very high	81.9	Confident	5 Å²	5	31 Å²	31	2%	0.019	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	157.3	165.4	60.1	-78.6	0	0	0	108.8	C384 F496 L582 K587 L592 V593 M594	C384-W585 HydrophobicContact CB-CH2 3.62Å; C384-W585 HydrophobicContact CB-CZ2 4.21Å; C384-W585 HydrophobicContact CB-CZ3 3.87Å; F496-W585 HydrophobicContact CB-CD2 4.3Å; F496-W585 HydrophobicContact CB-CG 4.28Å; F496-W585 HydrophobicContact CB-CZ2 4.28Å; F496-W585 VanDerWaalsContact CB-NE1 3.31Å; F496-W585 HydrophobicContact CD1-CG 4.33Å; F496-W585 AromaticContact CD2-CD2 3.56Å; F496-W585 HydrophobicContact CD2-CD2 3.56Å; F496-W585 AromaticContact CD2-CE2 3.65Å; F496-W585 AromaticContact CD2-CE3 3.86Å; F496-W585 HydrophobicContact CD2-CE3 3.86Å; F496-W585 AromaticContact CD2-CG 3.96Å; F496-W585 HydrophobicContact CD2-CG 3.96Å; F496-W585 HydrophobicContact CD2-CH2 4.29Å; F496-W585 HydrophobicContact CD2-CZ2 4.05Å; F496-W585 HydrophobicContact CD2-CZ3 4.2Å; F496-W585 HydrophobicContact CE2-CD2 4.07Å; F496-W585 HydrophobicContact CE2-CE3 4.03Å; F496-W585 HydrophobicContact CE2-CG 4.42Å; F496-W585 HydrophobicContact CE2-CZ3 4.46Å; F496-W585 AromaticContact CG-CD1 3.76Å; F496-W585 AromaticContact CG-CD2 3.96Å; F496-W585 HydrophobicContact CG-CD2 3.96Å; F496-W585 AromaticContact CG-CE2 3.89Å; F496-W585 AromaticContact CG-CG 3.92Å; F496-W585 HydrophobicContact CG-CG 3.92Å; F496-W585 AromaticContact CG-NE1 3.77Å; L582-W585 HydrophobicContact CD2-CB 4.39Å; W585-K587 HydrophobicContact CE3-CB 4.32Å; W585-K587 HydrophobicContact CZ3-CB 3.93Å; W585-K587 HydrophobicContact CZ3-CD 4.34Å; W585-L592 HydrophobicContact CB-CD1 4.37Å; W585-L592 HydrophobicContact CE3-CD1 3.8Å; W585-V593 CarbonylContact C-O 3.58Å; W585-V593 WeakPolarHBondContact CA-O 3.46Å; W585-V593 WeakPolarHBondContact CB-O 3.36Å; W585-M594 HydrophobicContact CB-CG 4.1Å
586	V	86.3	Confident	83.7	Confident	7 Å²	7	28.4 Å²	28.4	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	135.5	177.6	-173.5	0	0	0	0	108.3	Q584 V593	Q584-V586 HydrophobicContact CG-CG2 4.4Å; V586-V593 HydrophobicContact CB-CB 4.22Å; V586-V593 PolarHBondContact N-O 3.47Å; V586-V593 PolarHBondContact O-N 2.91Å
587	K	83.3	Confident	85.4	Confident	70 Å²	70	24.6 Å²	24.6	30%	0.304	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.5	-179.2	-178.1	168.7	-177.3	-174.9	0	110.2	D489 W585 Y606	D489-K587 IonicContact OD2-NZ 2.66Å; D489-K587 PolarHBondContact OD2-NZ 3.32Å; W585-K587 HydrophobicContact CE3-CB 4.32Å; W585-K587 HydrophobicContact CZ3-CB 3.93Å; W585-K587 HydrophobicContact CZ3-CD 4.34Å; K587-Y606 HydrophobicContact CG-CE2 4.43Å; K587-Y606 WeakPolarHBondContact CG-OH 3.12Å
588	T	84.5	Confident	86.6	Confident	5 Å²	5	26.1 Å²	26.1	3%	0.031	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	174.9	173.5	62.7	0	0	0	0	108.9	I381 H590 A591 Y606 Y656 L660	I381-T588 HydrophobicContact CG1-CG2 4.38Å; T588-H590 PolarHBondContact O-N 3.47Å; T588-H590 PolarHBondContact OG1-N 2.88Å; T588-A591 PolarHBondContact N-O 2.92Å; T588-A591 PolarHBondContact OG1-N 2.83Å; T588-A591 PolarHBondContact OG1-O 3.13Å; T588-Y606 WeakPolarHBondContact O-CE2 3.46Å; T588-Y656 PolarHBondContact OG1-OH 3.1Å; T588-L660 HydrophobicContact CG2-CD1 3.57Å; T588-L660 HydrophobicContact CG2-CD2 4.03Å; T588-L660 HydrophobicContact CG2-CG 4.49Å
589	D	79.4	Confident	87.6	Confident	103 Å²	103	21.8 Å²	21.8	55%	0.551	12%	0.116	S	C	*	.	S	Bend	trans	-64.3	-15.9	173.5	-67.3	-34.3	0	0	0	113.5	G380	G380-D589 WeakPolarHBondContact CA-OD2 3.46Å
590	H	83.4	Confident	88.4	Confident	44 Å²	44	21.4 Å²	21.4	20%	0.204	11%	0.114	C	C	.	.	S	Bend	trans	-119.6	-23.5	-173	-57.6	-70.7	0	0	0	115.2	L377 T588 F605 Y606	L377-H590 VanDerWaalsContact CD2-CE1 3.42Å; L377-H590 WeakPolarHBondContact CD2-CE1 3.38Å; L377-H590 WeakPolarHBondContact CD2-NE2 3.4Å; L377-H590 PolarHBondContact O-CD2 3.22Å; T588-H590 PolarHBondContact O-N 3.47Å; T588-H590 PolarHBondContact OG1-N 2.88Å; H590-F605 WeakPolarHBondContact O-CA 3.2Å; H590-Y606 PolarHBondContact O-N 3.35Å
591	A	90.4	Very high	88.8	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	155.1	-176.7	0	0	0	0	0	114.2	T588 V603 N604 F605 Y656	T588-A591 PolarHBondContact N-O 2.92Å; T588-A591 PolarHBondContact OG1-N 2.83Å; T588-A591 PolarHBondContact OG1-O 3.13Å; A591-V603 HydrophobicContact CB-CG1 3.89Å; A591-N604 CarbonylContact C-O 3.58Å; A591-N604 VanDerWaalsContact CA-O 3.24Å; A591-N604 WeakPolarHBondContact CA-O 3.47Å; A591-F605 HydrophobicContact CB-CD1 3.9Å; A591-F605 HydrophobicContact CB-CE1 4.14Å; A591-F605 HydrophobicContact CB-CG 4.38Å; A591-Y656 HydrophobicContact CB-CE1 3.97Å
592	L	93.1	Very high	89.3	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.5	164.9	173.7	72	0	0	0	109.6	W487 F496 W585 M594 V603 N604 Y606	W487-L592 HydrophobicContact CD2-CD2 3.53Å; W487-L592 HydrophobicContact CE3-CD2 3.96Å; W487-L592 HydrophobicContact CG-CD2 3.87Å; W487-L592 HydrophobicContact CH2-CD2 4.43Å; W487-L592 HydrophobicContact CZ2-CD2 4.05Å; W487-L592 HydrophobicContact CZ3-CD2 4.38Å; F496-L592 HydrophobicContact CE2-CD1 4.09Å; F496-L592 HydrophobicContact CE2-CD2 4.26Å; F496-L592 HydrophobicContact CZ-CD1 4.18Å; F496-L592 HydrophobicContact CZ-CD2 3.7Å; W585-L592 HydrophobicContact CB-CD1 4.37Å; W585-L592 HydrophobicContact CE3-CD1 3.8Å; L592-M594 HydrophobicContact CD2-CE 3.96Å; L592-M594 HydrophobicContact CD2-CG 4.33Å; L592-M594 HydrophobicContact CD2-SD 3.98Å; L592-M594 HydrophobicContact CG-CE 4.44Å; L592-M594 HydrophobicContact CG-CG 4.27Å; L592-V603 CarbonylContact O-C 3.57Å; L592-V603 VanDerWaalsContact O-CA 3.3Å; L592-V603 WeakPolarHBondContact O-CA 3.29Å; L592-N604 HydrophobicContact CB-CB 4.38Å; L592-N604 PolarHBondContact N-O 2.87Å; L592-N604 PolarHBondContact O-N 2.94Å; L592-Y606 HydrophobicContact CB-CE1 4.07Å
593	V	93.6	Very high	89.5	Confident	5 Å²	5	19.9 Å²	19.9	3%	0.03	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	142.7	170.3	-178.1	0	0	0	0	109.5	W585 V586 L595 L601 Q602 V603 L660	W585-V593 CarbonylContact C-O 3.58Å; W585-V593 WeakPolarHBondContact CA-O 3.46Å; W585-V593 WeakPolarHBondContact CB-O 3.36Å; V586-V593 HydrophobicContact CB-CB 4.22Å; V586-V593 PolarHBondContact N-O 3.47Å; V586-V593 PolarHBondContact O-N 2.91Å; V593-L595 HydrophobicContact CG1-CD2 4.25Å; V593-L595 HydrophobicContact CG1-CG 4.44Å; V593-L601 HydrophobicContact CG1-CD1 3.59Å; V593-Q602 CarbonylContact C-O 3.52Å; V593-Q602 WeakPolarHBondContact CA-O 3.36Å; V593-V603 HydrophobicContact CG1-CG2 4.37Å; V593-V603 HydrophobicContact CG2-CG1 4.25Å; V593-V603 HydrophobicContact CG2-CG2 4.12Å; V593-L660 HydrophobicContact CG2-CD2 3.36Å; V593-L660 HydrophobicContact CG2-CG 4.14Å
594	M	94.9	Very high	89.9	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	133.3	174.3	-69.6	170.5	-70.5	0	0	109.5	V484 F496 L582 W585 L592 F596 L601 Q602 N604	V484-M594 HydrophobicContact CB-CE 4.02Å; V484-M594 HydrophobicContact CB-SD 4.18Å; V484-M594 HydrophobicContact CG1-CE 4.2Å; V484-M594 HydrophobicContact CG1-SD 4.08Å; V484-M594 HydrophobicContact CG2-CE 4.25Å; V484-M594 HydrophobicContact CG2-SD 3.92Å; F496-M594 HydrophobicContact CE1-SD 4.03Å; F496-M594 HydrophobicContact CZ-SD 4.29Å; L582-M594 HydrophobicContact CD1-CB 3.65Å; L582-M594 HydrophobicContact CD1-CG 3.93Å; W585-M594 HydrophobicContact CB-CG 4.1Å; L592-M594 HydrophobicContact CD2-CE 3.96Å; L592-M594 HydrophobicContact CD2-CG 4.33Å; L592-M594 HydrophobicContact CD2-SD 3.98Å; L592-M594 HydrophobicContact CG-CE 4.44Å; L592-M594 HydrophobicContact CG-CG 4.27Å; M594-F596 HydrophobicContact CB-CE2 3.79Å; M594-F596 HydrophobicContact CB-CZ 4.41Å; M594-L601 WeakPolarHBondContact O-CA 3.4Å; M594-Q602 HydrophobicContact CE-CB 4.18Å; M594-Q602 HydrophobicContact CE-CG 3.79Å; M594-Q602 PolarHBondContact N-O 2.96Å; M594-Q602 PolarHBondContact O-N 3.01Å; M594-N604 WeakPolarHBondContact CE-ND2 3.42Å
595	L	92.7	Very high	90.1	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.5	-178.1	-57.5	176	0	0	0	109.3	P447 V450 A451 L583 Q584 V593 L601	P447-L595 HydrophobicContact CB-CD1 4.25Å; V450-L595 HydrophobicContact CG1-CB 4.43Å; V450-L595 HydrophobicContact CG1-CD2 4.15Å; A451-L595 HydrophobicContact CB-CD1 4.17Å; L583-L595 WeakPolarHBondContact CB-O 3.44Å; L583-L595 PolarHBondContact N-O 3.1Å; Q584-L595 HydrophobicContact CB-CB 4.47Å; Q584-L595 HydrophobicContact CB-CD1 4.36Å; Q584-L595 PolarHBondContact N-O 3.35Å; Q584-L595 PolarHBondContact O-N 3.35Å; V593-L595 HydrophobicContact CG1-CD2 4.25Å; V593-L595 HydrophobicContact CG1-CG 4.44Å; L595-L601 HydrophobicContact CD2-CB 4.35Å; L595-L601 HydrophobicContact CD2-CD1 3.59Å
596	F	91.5	Very high	89.8	Confident	3 Å²	3	22.1 Å²	22.1	1%	0.013	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	155.5	-174.6	-71.6	-88.4	0	0	0	113.2	V484 Y498 P580 L581 L582 M594 N598 G599 T600	V484-F596 HydrophobicContact CG2-CE1 4.47Å; V484-F596 HydrophobicContact CG2-CE2 3.97Å; V484-F596 HydrophobicContact CG2-CZ 3.44Å; V484-F596 VanDerWaalsContact CG2-CZ 3.44Å; Y498-F596 HydrophobicContact CD2-CE1 4.39Å; Y498-F596 HydrophobicContact CD2-CZ 4.48Å; Y498-F596 AromaticContact CE2-CE1 3.8Å; Y498-F596 HydrophobicContact CE2-CE1 3.8Å; Y498-F596 HydrophobicContact CE2-CZ 4.31Å; Y498-F596 AromaticContact CZ-CE1 3.93Å; P580-F596 HydrophobicContact CB-CB 4.19Å; P580-F596 HydrophobicContact CB-CD1 3.76Å; P580-F596 HydrophobicContact CB-CG 4.21Å; P580-F596 HydrophobicContact CG-CD1 4.37Å; L581-F596 VanDerWaalsContact C-CD1 3.45Å; L581-F596 WeakPolarHBondContact O-CA 3.48Å; L581-F596 WeakPolarHBondContact O-CD1 3.28Å; L582-F596 HydrophobicContact CB-CD1 4.37Å; L582-F596 HydrophobicContact CB-CE1 3.87Å; L582-F596 HydrophobicContact CB-CZ 4.33Å; L582-F596 HydrophobicContact CD1-CE1 4.1Å; L582-F596 HydrophobicContact CD1-CE2 4.05Å; L582-F596 HydrophobicContact CD1-CZ 3.76Å; M594-F596 HydrophobicContact CB-CE2 3.79Å; M594-F596 HydrophobicContact CB-CZ 4.41Å; F596-N598 WeakPolarHBondContact CB-OD1 3.42Å; F596-N598 PolarHBondContact O-N 3.03Å; F596-G599 PolarHBondContact O-N 3.33Å; F596-T600 HydrophobicContact CD2-CG2 4.47Å; F596-T600 PolarHBondContact N-O 2.95Å
597	N	86.5	Confident	89.6	Confident	58 Å²	58	26.2 Å²	26.2	31%	0.31	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.9	-177.3	72.7	-41.2	0	0	0	114.9	L581 L583 G599	L581-N597 HydrophobicContact CB-CB 4.47Å; L581-N597 PolarHBondContact N-OD1 3.21Å; L581-N597 PolarHBondContact O-N 3.1Å; L583-N597 HydrophobicContact CD1-CB 4.35Å; L583-N597 HydrophobicContact CD2-CB 3.89Å; L583-N597 HydrophobicContact CG-CB 4.02Å; N597-G599 VanDerWaalsContact C-N 3.31Å
598	N	86.6	Confident	89.7	Confident	76 Å²	76	23.8 Å²	23.8	41%	0.406	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	10.2	173.1	70.8	-23	0	0	0	113.1	F596 T600	F596-N598 WeakPolarHBondContact CB-OD1 3.42Å; F596-N598 PolarHBondContact O-N 3.03Å; N598-T600 VanDerWaalsContact C-N 3.34Å; N598-T600 PolarHBondContact ND2-OG1 3.39Å; N598-T600 PolarHBondContact O-N 3.43Å; N598-T600 WeakPolarHBondContact OD1-CB 3.37Å; N598-T600 PolarHBondContact OD1-N 3.44Å; N598-T600 VanDerWaalsContact OD1-N 3.08Å; N598-T600 PolarHBondContact OD1-OG1 2.92Å; N598-T600 VanDerWaalsContact OD1-OG1 3.09Å
599	G	88.4	Confident	89.7	Confident	15 Å²	15	29.8 Å²	29.8	16%	0.155	16%	0.156	C	C	.	.	S	Bend	trans	81.2	3.3	-176.8	0	0	0	0	0	115.3	F596 N597	F596-G599 PolarHBondContact O-N 3.33Å; N597-G599 VanDerWaalsContact C-N 3.31Å
600	T	92.6	Very high	90.3	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.018	13%	0.13	C	C	.	.			trans	-71	130.7	175.4	-58.9	0	0	0	0	111.6	F596 N598 I613 L614 C615	F596-T600 HydrophobicContact CD2-CG2 4.47Å; F596-T600 PolarHBondContact N-O 2.95Å; N598-T600 VanDerWaalsContact C-N 3.34Å; N598-T600 PolarHBondContact ND2-OG1 3.39Å; N598-T600 PolarHBondContact O-N 3.43Å; N598-T600 WeakPolarHBondContact OD1-CB 3.37Å; N598-T600 PolarHBondContact OD1-N 3.44Å; N598-T600 VanDerWaalsContact OD1-N 3.08Å; N598-T600 PolarHBondContact OD1-OG1 2.92Å; N598-T600 VanDerWaalsContact OD1-OG1 3.09Å; T600-I613 HydrophobicContact CG2-CG2 3.84Å; T600-L614 WeakPolarHBondContact CA-O 3.46Å; T600-C615 HydrophobicContact CG2-CB 4.25Å
601	L	95.3	Very high	90.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.8	168.4	161.8	68.6	0	0	0	108.5	A454 L458 V593 M594 L595 V603 I613 L614 V657 L661	A454-L601 HydrophobicContact CB-CB 4.34Å; A454-L601 HydrophobicContact CB-CD2 3.73Å; L458-L601 HydrophobicContact CD1-CD2 4.46Å; V593-L601 HydrophobicContact CG1-CD1 3.59Å; M594-L601 WeakPolarHBondContact O-CA 3.4Å; L595-L601 HydrophobicContact CD2-CB 4.35Å; L595-L601 HydrophobicContact CD2-CD1 3.59Å; L601-V603 HydrophobicContact CD1-CG2 3.8Å; L601-V603 HydrophobicContact CG-CG2 4.2Å; L601-I613 CarbonylContact O-C 3.57Å; L601-I613 WeakPolarHBondContact O-CA 3.42Å; L601-L614 HydrophobicContact CB-CB 4.32Å; L601-L614 HydrophobicContact CD2-CB 4.45Å; L601-L614 HydrophobicContact CD2-CD2 4.41Å; L601-L614 PolarHBondContact N-O 2.86Å; L601-L614 PolarHBondContact O-N 3.23Å; L601-V657 HydrophobicContact CD2-CG1 3.92Å; L601-L661 HydrophobicContact CD1-CD2 4.46Å; L601-L661 HydrophobicContact CD2-CD1 3.89Å
602	Q	96.1	Very high	91.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.8	170.1	177	171	-11.8	0	0	110.9	V484 V593 M594 N604 I612 I613	V484-Q602 PolarHBondContact O-NE2 3.03Å; V593-Q602 CarbonylContact C-O 3.52Å; V593-Q602 WeakPolarHBondContact CA-O 3.36Å; M594-Q602 HydrophobicContact CE-CB 4.18Å; M594-Q602 HydrophobicContact CE-CG 3.79Å; M594-Q602 PolarHBondContact N-O 2.96Å; M594-Q602 PolarHBondContact O-N 3.01Å; Q602-N604 PolarHBondContact NE2-OD1 3.29Å; Q602-I612 CarbonylContact C-O 3.32Å; Q602-I612 WeakPolarHBondContact CA-O 3.42Å; Q602-I613 HydrophobicContact CB-CG1 4.21Å; Q602-I613 HydrophobicContact CG-CG1 3.78Å
603	V	96.2	Very high	91.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.1	178.6	-171.8	0	0	0	0	109.9	A591 L592 V593 L601 F605 K611 I612 V657	A591-V603 HydrophobicContact CB-CG1 3.89Å; L592-V603 CarbonylContact O-C 3.57Å; L592-V603 VanDerWaalsContact O-CA 3.3Å; L592-V603 WeakPolarHBondContact O-CA 3.29Å; V593-V603 HydrophobicContact CG1-CG2 4.37Å; V593-V603 HydrophobicContact CG2-CG1 4.25Å; V593-V603 HydrophobicContact CG2-CG2 4.12Å; L601-V603 HydrophobicContact CD1-CG2 3.8Å; L601-V603 HydrophobicContact CG-CG2 4.2Å; V603-F605 HydrophobicContact CB-CE2 4.41Å; V603-F605 HydrophobicContact CG1-CD2 4.48Å; V603-F605 HydrophobicContact CG1-CE2 3.88Å; V603-F605 HydrophobicContact CG1-CZ 3.91Å; V603-K611 CarbonylContact O-C 3.58Å; V603-K611 VanDerWaalsContact O-CA 3.29Å; V603-K611 WeakPolarHBondContact O-CA 3.26Å; V603-I612 PolarHBondContact N-O 3.14Å; V603-I612 PolarHBondContact O-N 3.43Å; V603-V657 HydrophobicContact CB-CG2 4.16Å; V603-V657 HydrophobicContact CG1-CG2 4.14Å; V603-V657 HydrophobicContact CG2-CG1 4.2Å; V603-V657 HydrophobicContact CG2-CG2 3.91Å
604	N	94.4	Very high	91.3	Very high	6 Å²	6	23.8 Å²	23.8	3%	0.032	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115	-178.9	-67.6	-13.2	0	0	0	109.6	A591 L592 M594 Q602 K611	A591-N604 CarbonylContact C-O 3.58Å; A591-N604 VanDerWaalsContact CA-O 3.24Å; A591-N604 WeakPolarHBondContact CA-O 3.47Å; L592-N604 HydrophobicContact CB-CB 4.38Å; L592-N604 PolarHBondContact N-O 2.87Å; L592-N604 PolarHBondContact O-N 2.94Å; M594-N604 WeakPolarHBondContact CE-ND2 3.42Å; Q602-N604 PolarHBondContact NE2-OD1 3.29Å; N604-K611 WeakPolarHBondContact OD1-CD 3.38Å
605	F	92.1	Very high	91.2	Very high	3 Å²	3	24 Å²	24	1%	0.013	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	136.7	-180	-65.4	-90.6	0	0	0	111.4	H590 A591 V603 H609 T610 I612 R653 Y656 V657	H590-F605 WeakPolarHBondContact O-CA 3.2Å; A591-F605 HydrophobicContact CB-CD1 3.9Å; A591-F605 HydrophobicContact CB-CE1 4.14Å; A591-F605 HydrophobicContact CB-CG 4.38Å; V603-F605 HydrophobicContact CB-CE2 4.41Å; V603-F605 HydrophobicContact CG1-CD2 4.48Å; V603-F605 HydrophobicContact CG1-CE2 3.88Å; V603-F605 HydrophobicContact CG1-CZ 3.91Å; F605-H609 VanDerWaalsContact O-CA 3.25Å; F605-H609 WeakPolarHBondContact O-CA 3.44Å; F605-H609 PolarHBondContact O-N 3.27Å; F605-T610 PolarHBondContact N-O 3.04Å; F605-I612 HydrophobicContact CE2-CD1 4.27Å; F605-I612 HydrophobicContact CE2-CG1 4.41Å; F605-R653 HydrophobicContact CE2-CB 4.38Å; F605-R653 VanDerWaalsContact CE2-CD 3.48Å; F605-R653 HydrophobicContact CE2-CG 4.5Å; F605-R653 HydrophobicContact CZ-CB 4.18Å; F605-R653 HydrophobicContact CZ-CG 4.43Å; F605-Y656 AromaticContact CE1-CD1 3.46Å; F605-Y656 HydrophobicContact CE1-CD1 3.46Å; F605-Y656 VanDerWaalsContact CE1-CD1 3.46Å; F605-Y656 AromaticContact CE1-CE1 3.79Å; F605-Y656 HydrophobicContact CE1-CE1 3.79Å; F605-Y656 HydrophobicContact CE1-CG 4.25Å; F605-Y656 AromaticContact CZ-CD1 3.93Å; F605-Y656 HydrophobicContact CZ-CD1 3.93Å; F605-Y656 HydrophobicContact CZ-CE1 4.48Å; F605-V657 HydrophobicContact CZ-CG2 4.17Å
606	Y	84.8	Confident	90.9	Very high	66 Å²	66	28 Å²	28	26%	0.259	14%	0.143	S	C	.	.	S	Bend	trans	-83.7	-33.4	-176.8	-60	-39.4	0	0	0	113.3	W487 K587 T588 H590 L592 D608	W487-Y606 AromaticContact CH2-CE1 3.95Å; W487-Y606 HydrophobicContact CH2-CE1 3.95Å; W487-Y606 AromaticContact CZ2-CE1 3.8Å; W487-Y606 HydrophobicContact CZ2-CE1 3.8Å; K587-Y606 HydrophobicContact CG-CE2 4.43Å; K587-Y606 WeakPolarHBondContact CG-OH 3.12Å; T588-Y606 WeakPolarHBondContact O-CE2 3.46Å; H590-Y606 PolarHBondContact O-N 3.35Å; L592-Y606 HydrophobicContact CB-CE1 4.07Å; Y606-D608 PolarHBondContact O-N 3.21Å
607	T	81.8	Confident	90.5	Very high	92 Å²	92	29.1 Å²	29.1	56%	0.564	15%	0.151	S	C	*	.	S	Bend	trans	-69.9	-32.3	-170.6	53.3	0	0	0	0	114.1
608	D	85.9	Confident	89.9	Confident	20 Å²	20	30.5 Å²	30.5	11%	0.107	17%	0.165	C	C	.	.	S	Bend	trans	-140.1	13.2	-174.6	64.8	2	0	0	0	113.1	Y606 T610 R629 R653	Y606-D608 PolarHBondContact O-N 3.21Å; D608-T610 HydrophobicContact CB-CG2 4.48Å; D608-T610 PolarHBondContact O-N 3.13Å; D608-T610 WeakPolarHBondContact OD1-CB 3.38Å; D608-T610 WeakPolarHBondContact OD1-CG2 3.45Å; D608-T610 PolarHBondContact OD1-N 3.29Å; D608-T610 PolarHBondContact OD1-OG1 3.03Å; D608-R629 HydrophobicContact CB-CG 4.05Å; D608-R629 IonicContact OD2-CZ 2.88Å; D608-R629 IonicContact OD2-NE 3.83Å; D608-R629 PolarHBondContact OD2-NE 2.93Å; D608-R629 VanDerWaalsContact OD2-NE 3.17Å; D608-R629 IonicContact OD2-NH2 3.85Å; D608-R629 PolarHBondContact OD2-NH2 3.29Å; D608-R653 VanDerWaalsContact CG-NH2 3.26Å; D608-R653 IonicContact OD1-CZ 3.69Å; D608-R653 IonicContact OD1-NH2 3.86Å; D608-R653 PolarHBondContact OD1-NH2 3.11Å; D608-R653 IonicContact OD2-CZ 3.14Å; D608-R653 IonicContact OD2-NE 2.64Å; D608-R653 IonicContact OD2-NH2 2.65Å; D608-R653 PolarHBondContact OD2-NH2 3.14Å
609	H	84.6	Confident	89.6	Confident	131 Å²	131	33.2 Å²	33.2	61%	0.606	18%	0.18	S	C	*	.			trans	59.6	2.4	179.2	-57.5	-54.1	0	0	0	117.1	F605 K611	F605-H609 VanDerWaalsContact O-CA 3.25Å; F605-H609 WeakPolarHBondContact O-CA 3.44Å; F605-H609 PolarHBondContact O-N 3.27Å; H609-K611 PolarHBondContact O-NZ 3.01Å
610	T	91.7	Very high	89.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.			trans	-57.8	154.3	177.2	58.5	0	0	0	0	112.1	F605 D608 Y626 I627 R629 R653	F605-T610 PolarHBondContact N-O 3.04Å; D608-T610 HydrophobicContact CB-CG2 4.48Å; D608-T610 PolarHBondContact O-N 3.13Å; D608-T610 WeakPolarHBondContact OD1-CB 3.38Å; D608-T610 WeakPolarHBondContact OD1-CG2 3.45Å; D608-T610 PolarHBondContact OD1-N 3.29Å; D608-T610 PolarHBondContact OD1-OG1 3.03Å; T610-Y626 HydrophobicContact CG2-CE2 4.42Å; T610-Y626 WeakPolarHBondContact CG2-OH 3.39Å; T610-I627 VanDerWaalsContact CA-O 3.29Å; T610-I627 WeakPolarHBondContact CA-O 3.26Å; T610-R629 HydrophobicContact CG2-CG 3.55Å; T610-R653 PolarHBondContact OG1-NE 3.06Å
611	K	94.8	Very high	88.8	Confident	24 Å²	24	39 Å²	39	10%	0.104	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	145.5	178.9	-43.2	-174	-166.8	-40.9	0	111.3	W483 G566 V603 N604 H609 Y626 I627	W483-K611 HydrophobicContact CZ3-CD 4.39Å; G566-K611 WeakPolarHBondContact O-CE 3.35Å; V603-K611 CarbonylContact O-C 3.58Å; V603-K611 VanDerWaalsContact O-CA 3.29Å; V603-K611 WeakPolarHBondContact O-CA 3.26Å; N604-K611 WeakPolarHBondContact OD1-CD 3.38Å; H609-K611 PolarHBondContact O-NZ 3.01Å; K611-Y626 WeakPolarHBondContact O-CA 3.46Å; K611-Y626 VanDerWaalsContact O-CD2 3.27Å; K611-Y626 WeakPolarHBondContact O-CD2 3.42Å; K611-I627 HydrophobicContact CB-CB 4.03Å; K611-I627 HydrophobicContact CB-CD1 4.19Å; K611-I627 HydrophobicContact CB-CG1 4.42Å; K611-I627 HydrophobicContact CD-CD1 4.02Å; K611-I627 HydrophobicContact CG-CB 4.26Å; K611-I627 HydrophobicContact CG-CD1 4.41Å; K611-I627 PolarHBondContact N-O 2.86Å; K611-I627 PolarHBondContact O-N 2.92Å
612	I	96.1	Very high	88.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.1	166.6	-73	175.6	0	0	0	107.5	Q602 V603 F605 L624 T625 Y626 L650 R653 L654 V657	Q602-I612 CarbonylContact C-O 3.32Å; Q602-I612 WeakPolarHBondContact CA-O 3.42Å; V603-I612 PolarHBondContact N-O 3.14Å; V603-I612 PolarHBondContact O-N 3.43Å; F605-I612 HydrophobicContact CE2-CD1 4.27Å; F605-I612 HydrophobicContact CE2-CG1 4.41Å; I612-L624 HydrophobicContact CG2-CD1 3.7Å; I612-T625 CarbonylContact C-O 3.58Å; I612-T625 WeakPolarHBondContact CA-O 3.34Å; I612-Y626 HydrophobicContact CG1-CD2 3.92Å; I612-Y626 HydrophobicContact CG1-CE2 4.46Å; I612-L650 HydrophobicContact CD1-CD1 4.23Å; I612-L650 HydrophobicContact CG1-CD1 4.5Å; I612-R653 HydrophobicContact CD1-CB 3.61Å; I612-L654 HydrophobicContact CD1-CD2 4.04Å; I612-L654 HydrophobicContact CD1-CG 4.3Å; I612-V657 HydrophobicContact CD1-CG2 4.3Å
613	I	95.8	Very high	88.5	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.8	169.9	-53.1	152	0	0	0	107.2	F481 W483 T600 L601 Q602 L624 T625 I627	F481-I613 HydrophobicContact CD2-CG2 4.44Å; F481-I613 HydrophobicContact CE2-CB 4.36Å; F481-I613 HydrophobicContact CE2-CD1 4.17Å; F481-I613 HydrophobicContact CE2-CG2 3.74Å; F481-I613 HydrophobicContact CZ-CD1 4.5Å; F481-I613 HydrophobicContact CZ-CG2 4.45Å; W483-I613 HydrophobicContact CB-CD1 3.84Å; W483-I613 HydrophobicContact CD2-CD1 4Å; W483-I613 HydrophobicContact CE3-CD1 3.91Å; W483-I613 HydrophobicContact CG-CD1 3.99Å; T600-I613 HydrophobicContact CG2-CG2 3.84Å; L601-I613 CarbonylContact O-C 3.57Å; L601-I613 WeakPolarHBondContact O-CA 3.42Å; Q602-I613 HydrophobicContact CB-CG1 4.21Å; Q602-I613 HydrophobicContact CG-CG1 3.78Å; I613-L624 CarbonylContact O-C 3.52Å; I613-L624 WeakPolarHBondContact O-CA 3.34Å; I613-T625 PolarHBondContact N-O 3.28Å; I613-T625 PolarHBondContact O-N 2.81Å; I613-I627 HydrophobicContact CD1-CD1 4.2Å
614	L	95.4	Very high	88.5	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.4	175	-177.8	75.4	0	0	0	107.9	A454 L458 T600 L601 Y622 L623 L624	A454-L614 HydrophobicContact CB-CD2 3.78Å; L458-L614 HydrophobicContact CD1-CD2 4.22Å; L458-L614 HydrophobicContact CD2-CD1 4.2Å; L458-L614 HydrophobicContact CD2-CD2 4.09Å; L458-L614 HydrophobicContact CG-CD2 3.94Å; T600-L614 WeakPolarHBondContact CA-O 3.46Å; L601-L614 HydrophobicContact CB-CB 4.32Å; L601-L614 HydrophobicContact CD2-CB 4.45Å; L601-L614 HydrophobicContact CD2-CD2 4.41Å; L601-L614 PolarHBondContact N-O 2.86Å; L601-L614 PolarHBondContact O-N 3.23Å; L614-Y622 HydrophobicContact CD1-CD1 3.93Å; L614-Y622 HydrophobicContact CD2-CD1 4.11Å; L614-Y622 HydrophobicContact CD2-CE1 4.33Å; L614-Y622 HydrophobicContact CG-CD1 3.89Å; L614-Y622 HydrophobicContact CG-CE1 4.46Å; L614-L623 WeakPolarHBondContact CA-O 3.48Å; L614-L624 HydrophobicContact CB-CD1 4.26Å; L614-L624 HydrophobicContact CD1-CB 4.43Å; L614-L624 HydrophobicContact CD1-CD1 3.86Å
615	C	92.2	Very high	88.5	Confident	4 Å²	4	40.8 Å²	40.8	3%	0.027	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	160.9	178.6	54.4	0	0	0	0	110.9	T600 Y622 L623	T600-C615 HydrophobicContact CG2-CB 4.25Å; C615-Y622 WeakPolarHBondContact O-CA 3.46Å; C615-L623 PolarHBondContact N-O 3.26Å; C615-L623 PolarHBondContact O-N 3.02Å
616	K	87.1	Confident	88.6	Confident	87 Å²	87	41.4 Å²	41.4	38%	0.378	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	138.1	168.9	-74.9	-174.3	159.9	-153.4	0	110	D620 Y622	K616-D620 VanDerWaalsContact CD-OD1 3.31Å; K616-D620 WeakPolarHBondContact CD-OD1 3.37Å; K616-D620 VanDerWaalsContact CE-OD1 3.32Å; K616-D620 WeakPolarHBondContact CE-OD1 3.36Å; K616-D620 VanDerWaalsContact NZ-CG 3.27Å; K616-D620 IonicContact NZ-OD1 2.85Å; K616-D620 PolarHBondContact NZ-OD1 2.93Å; K616-D620 IonicContact NZ-OD2 3.53Å; K616-D620 PolarHBondContact NZ-OD2 2.89Å; K616-D620 VanDerWaalsContact NZ-OD2 3.14Å; K616-Y622 HydrophobicContact CD-CE2 4.49Å; K616-Y622 WeakPolarHBondContact CE-OH 3.23Å; K616-Y622 HydrophobicContact CG-CD1 4.15Å; K616-Y622 HydrophobicContact CG-CE1 3.81Å; K616-Y622 HydrophobicContact CG-CE2 4.16Å
617	S	81.7	Confident	89	Confident	26 Å²	26	38.3 Å²	38.3	18%	0.182	21%	0.209	C	C	.	.			trans	-75.9	170.8	166.6	-170	0	0	0	0	110.7	Q479 D619 D620 A621	Q479-S617 PolarHBondContact OE1-OG 3.47Å; S617-D619 PolarHBondContact O-N 3.42Å; S617-D620 PolarHBondContact O-N 2.96Å; S617-A621 VanDerWaalsContact CB-O 3.31Å; S617-A621 WeakPolarHBondContact CB-O 3.42Å; S617-A621 PolarHBondContact N-O 3.5Å
618	S	75.2	Confident	89.3	Confident	87 Å²	87	34.8 Å²	34.8	61%	0.608	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.1	169	49.2	0	0	0	0	113.4	D620	S618-D620 PolarHBondContact O-N 3.1Å
619	D	79	Confident	89.3	Confident	133 Å²	133	40.1 Å²	40.1	71%	0.711	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	23.4	-171.7	-50.5	-4.5	0	0	0	111.5	S617 A621	S617-D619 PolarHBondContact O-N 3.42Å; D619-A621 PolarHBondContact O-N 3.36Å
620	D	78.8	Confident	89.3	Confident	102 Å²	102	40.6 Å²	40.6	55%	0.545	21%	0.21	S	C	.	.	S	Bend	trans	55.8	-0.8	-172.1	-147.1	44.5	0	0	0	116.7	K616 S617 S618	K616-D620 VanDerWaalsContact CD-OD1 3.31Å; K616-D620 WeakPolarHBondContact CD-OD1 3.37Å; K616-D620 VanDerWaalsContact CE-OD1 3.32Å; K616-D620 WeakPolarHBondContact CE-OD1 3.36Å; K616-D620 VanDerWaalsContact NZ-CG 3.27Å; K616-D620 IonicContact NZ-OD1 2.85Å; K616-D620 PolarHBondContact NZ-OD1 2.93Å; K616-D620 IonicContact NZ-OD2 3.53Å; K616-D620 PolarHBondContact NZ-OD2 2.89Å; K616-D620 VanDerWaalsContact NZ-OD2 3.14Å; S617-D620 PolarHBondContact O-N 2.96Å; S618-D620 PolarHBondContact O-N 3.1Å
621	A	86.9	Confident	89	Confident	38 Å²	38	45.4 Å²	45.4	31%	0.314	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-67.5	137	175.6	0	0	0	0	0	112.2	S617 D619 L637	S617-A621 VanDerWaalsContact CB-O 3.31Å; S617-A621 WeakPolarHBondContact CB-O 3.42Å; S617-A621 PolarHBondContact N-O 3.5Å; D619-A621 PolarHBondContact O-N 3.36Å; A621-L637 HydrophobicContact CB-CD2 4.12Å
622	Y	91.8	Very high	88.5	Confident	35 Å²	35	48.1 Å²	48.1	14%	0.137	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	127	176.3	-78.9	-92.3	0	0	0	112.3	E457 L614 C615 K616 L638	E457-Y622 HydrophobicContact CB-CD2 4.46Å; E457-Y622 HydrophobicContact CB-CE2 4.42Å; E457-Y622 HydrophobicContact CG-CD2 4.01Å; E457-Y622 HydrophobicContact CG-CE2 3.6Å; L614-Y622 HydrophobicContact CD1-CD1 3.93Å; L614-Y622 HydrophobicContact CD2-CD1 4.11Å; L614-Y622 HydrophobicContact CD2-CE1 4.33Å; L614-Y622 HydrophobicContact CG-CD1 3.89Å; L614-Y622 HydrophobicContact CG-CE1 4.46Å; C615-Y622 WeakPolarHBondContact O-CA 3.46Å; K616-Y622 HydrophobicContact CD-CE2 4.49Å; K616-Y622 WeakPolarHBondContact CE-OH 3.23Å; K616-Y622 HydrophobicContact CG-CD1 4.15Å; K616-Y622 HydrophobicContact CG-CE1 3.81Å; K616-Y622 HydrophobicContact CG-CE2 4.16Å; Y622-L638 WeakPolarHBondContact O-CB 3.29Å; Y622-L638 PolarHBondContact O-N 2.84Å
623	L	93.3	Very high	88.2	Confident	8 Å²	8	49.2 Å²	49.2	4%	0.042	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.3	173.3	-64.1	174.3	0	0	0	109.6	L475 L614 C615 T635 Y636 L637	L475-L623 HydrophobicContact CD1-CD2 3.7Å; L614-L623 WeakPolarHBondContact CA-O 3.48Å; C615-L623 PolarHBondContact N-O 3.26Å; C615-L623 PolarHBondContact O-N 3.02Å; L623-T635 HydrophobicContact CB-CG2 4.07Å; L623-T635 HydrophobicContact CD2-CG2 4.32Å; L623-Y636 WeakPolarHBondContact CA-O 3.36Å; L623-L637 HydrophobicContact CD2-CD2 3.77Å; L623-L637 HydrophobicContact CD2-CG 4.24Å
624	L	95.1	Very high	88	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	115.8	173	-169.8	87.1	0	0	0	109.4	L458 I612 I613 L614 T635 Y636 L641 L650 L654	L458-L624 HydrophobicContact CD2-CD1 4.25Å; I612-L624 HydrophobicContact CG2-CD1 3.7Å; I613-L624 CarbonylContact O-C 3.52Å; I613-L624 WeakPolarHBondContact O-CA 3.34Å; L614-L624 HydrophobicContact CB-CD1 4.26Å; L614-L624 HydrophobicContact CD1-CB 4.43Å; L614-L624 HydrophobicContact CD1-CD1 3.86Å; L624-T635 CarbonylContact O-C 3.42Å; L624-T635 WeakPolarHBondContact O-CA 3.3Å; L624-Y636 PolarHBondContact N-O 3.43Å; L624-Y636 PolarHBondContact O-N 2.84Å; L624-L641 HydrophobicContact CB-CD1 3.94Å; L624-L641 HydrophobicContact CD2-CD1 3.44Å; L624-L641 VanDerWaalsContact CD2-CD1 3.44Å; L624-L641 HydrophobicContact CG-CD1 4.32Å; L624-L650 HydrophobicContact CD2-CD1 4.23Å; L624-L650 HydrophobicContact CD2-CD2 4.5Å; L624-L654 HydrophobicContact CD1-CD2 3.87Å; L624-L654 HydrophobicContact CD2-CD1 4.16Å; L624-L654 HydrophobicContact CD2-CD2 3.87Å; L624-L654 HydrophobicContact CD2-CG 4.47Å
625	T	94.8	Very high	87.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.1	171.2	-55.3	0	0	0	0	110.3	F481 L569 I612 I613 C634 T635	F481-T625 HydrophobicContact CZ-CG2 4.31Å; F481-T625 VanDerWaalsContact CZ-OG1 3.3Å; F481-T625 WeakPolarHBondContact CZ-OG1 3.43Å; L569-T625 HydrophobicContact CD1-CG2 3.95Å; L569-T625 HydrophobicContact CD2-CG2 4.34Å; I612-T625 CarbonylContact C-O 3.58Å; I612-T625 WeakPolarHBondContact CA-O 3.34Å; I613-T625 PolarHBondContact N-O 3.28Å; I613-T625 PolarHBondContact O-N 2.81Å; T625-C634 CarbonylContact C-O 3.57Å; T625-C634 WeakPolarHBondContact CA-O 3.42Å; T625-T635 WeakPolarHBondContact OG1-CG2 3.46Å; T625-T635 PolarHBondContact OG1-OG1 3.41Å
626	Y	94.4	Very high	87.9	Confident	15 Å²	15	50.5 Å²	50.5	6%	0.059	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.7	172.3	-176.8	-119.7	0	0	0	109.7	T610 K611 I612 S633 C634 E649 L650	T610-Y626 HydrophobicContact CG2-CE2 4.42Å; T610-Y626 WeakPolarHBondContact CG2-OH 3.39Å; K611-Y626 WeakPolarHBondContact O-CA 3.46Å; K611-Y626 VanDerWaalsContact O-CD2 3.27Å; K611-Y626 WeakPolarHBondContact O-CD2 3.42Å; I612-Y626 HydrophobicContact CG1-CD2 3.92Å; I612-Y626 HydrophobicContact CG1-CE2 4.46Å; Y626-S633 CarbonylContact O-C 3.44Å; Y626-S633 WeakPolarHBondContact O-CA 3.33Å; Y626-C634 PolarHBondContact N-O 2.94Å; Y626-C634 PolarHBondContact O-N 2.91Å; Y626-E649 PolarHBondContact OH-OE1 3.34Å; Y626-L650 HydrophobicContact CD1-CD1 4.48Å; Y626-L650 HydrophobicContact CD2-CD1 3.71Å; Y626-L650 HydrophobicContact CE2-CD1 4.21Å; Y626-L650 HydrophobicContact CG-CD1 3.86Å
627	I	92.1	Very high	88.1	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	118.7	171.8	-59.9	169.2	0	0	0	107.1	W483 L569 T610 K611 I613	W483-I627 HydrophobicContact CE3-CD1 4.35Å; W483-I627 HydrophobicContact CH2-CD1 3.97Å; W483-I627 HydrophobicContact CZ3-CD1 3.86Å; L569-I627 HydrophobicContact CD1-CD1 3.98Å; L569-I627 HydrophobicContact CD1-CG1 4.42Å; T610-I627 VanDerWaalsContact CA-O 3.29Å; T610-I627 WeakPolarHBondContact CA-O 3.26Å; K611-I627 HydrophobicContact CB-CB 4.03Å; K611-I627 HydrophobicContact CB-CD1 4.19Å; K611-I627 HydrophobicContact CB-CG1 4.42Å; K611-I627 HydrophobicContact CD-CD1 4.02Å; K611-I627 HydrophobicContact CG-CB 4.26Å; K611-I627 HydrophobicContact CG-CD1 4.41Å; K611-I627 PolarHBondContact N-O 2.86Å; K611-I627 PolarHBondContact O-N 2.92Å; I613-I627 HydrophobicContact CD1-CD1 4.2Å
628	S	88.4	Confident	88.6	Confident	19 Å²	19	48.2 Å²	48.2	13%	0.133	25%	0.251	C	S	.	.			trans	-76.5	177.7	-175.5	86.7	0	0	0	0	112.6	E630 R631 V632	S628-E630 VanDerWaalsContact CB-OE2 3.23Å; S628-E630 WeakPolarHBondContact CB-OE2 3.11Å; S628-E630 PolarHBondContact O-N 3.15Å; S628-E630 PolarHBondContact OG-N 2.95Å; S628-E630 PolarHBondContact OG-OE2 2.85Å; S628-R631 WeakPolarHBondContact O-CA 3.44Å; S628-R631 PolarHBondContact O-N 2.84Å; S628-V632 PolarHBondContact N-O 3.04Å
629	R	87	Confident	89.4	Confident	132 Å²	132	47 Å²	47	50%	0.498	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-33.2	177.1	-58.4	175.8	178.6	-163.4	-12.9	111.8	D608 T610 R631 E649	D608-R629 HydrophobicContact CB-CG 4.05Å; D608-R629 IonicContact OD2-CZ 2.88Å; D608-R629 IonicContact OD2-NE 3.83Å; D608-R629 PolarHBondContact OD2-NE 2.93Å; D608-R629 VanDerWaalsContact OD2-NE 3.17Å; D608-R629 IonicContact OD2-NH2 3.85Å; D608-R629 PolarHBondContact OD2-NH2 3.29Å; T610-R629 HydrophobicContact CG2-CG 3.55Å; R629-R631 PolarHBondContact O-N 3.32Å; R629-E649 IonicContact CZ-OE1 2.68Å; R629-E649 IonicContact NE-OE1 2.66Å; R629-E649 PolarHBondContact NE-OE1 2.77Å; R629-E649 IonicContact NH2-OE1 3.76Å; R629-E649 PolarHBondContact NH2-OE1 2.68Å
630	E	84.9	Confident	90	Very high	140 Å²	140	42.6 Å²	42.6	65%	0.654	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	0.7	174.8	-54.3	68	-144.7	0	0	112.1	S628 V632	S628-E630 VanDerWaalsContact CB-OE2 3.23Å; S628-E630 WeakPolarHBondContact CB-OE2 3.11Å; S628-E630 PolarHBondContact O-N 3.15Å; S628-E630 PolarHBondContact OG-N 2.95Å; S628-E630 PolarHBondContact OG-OE2 2.85Å; E630-V632 HydrophobicContact CB-CG2 4.2Å; E630-V632 PolarHBondContact O-N 2.85Å
631	R	83.4	Confident	90.6	Very high	102 Å²	102	37.7 Å²	37.7	39%	0.385	19%	0.192	S	C	.	.			trans	65.5	8.4	-174.6	-55.2	-169.8	-173.8	-178.7	10	115.6	E565 D568 S628 R629 S633	E565-R631 PolarHBondContact O-NH1 2.83Å; D568-R631 PolarHBondContact N-O 2.79Å; S628-R631 WeakPolarHBondContact O-CA 3.44Å; S628-R631 PolarHBondContact O-N 2.84Å; R629-R631 PolarHBondContact O-N 3.32Å; R631-S633 PolarHBondContact O-N 3.34Å
632	V	85.6	Confident	90.8	Very high	81 Å²	81	38.1 Å²	38.1	49%	0.491	19%	0.189	S	C	.	.			trans	-70.1	123.4	172.5	-178.3	0	0	0	0	108.9	D568 S628 E630	D568-V632 WeakPolarHBondContact OD2-CA 3.43Å; S628-V632 PolarHBondContact N-O 3.04Å; E630-V632 HydrophobicContact CB-CG2 4.2Å; E630-V632 PolarHBondContact O-N 2.85Å
633	S	89	Confident	90.8	Very high	23 Å²	23	43.4 Å²	43.4	16%	0.161	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	147	176	60	0	0	0	0	112.2	D568 L569 Y626 R631	D568-S633 WeakPolarHBondContact OD1-CB 3.5Å; D568-S633 PolarHBondContact OD1-N 2.89Å; D568-S633 PolarHBondContact OD1-OG 3.23Å; L569-S633 VanDerWaalsContact CD2-OG 3.24Å; L569-S633 WeakPolarHBondContact CD2-OG 3.32Å; L569-S633 VanDerWaalsContact CG-CB 3.41Å; L569-S633 WeakPolarHBondContact CG-OG 3.21Å; Y626-S633 CarbonylContact O-C 3.44Å; Y626-S633 WeakPolarHBondContact O-CA 3.33Å; R631-S633 PolarHBondContact O-N 3.34Å
634	C	91.1	Very high	90.8	Very high	18 Å²	18	48 Å²	48	12%	0.122	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	134.4	167.3	-177.6	0	0	0	0	112.3	C474 T625 Y626 Y636	C474-C634 WeakPolarHBondContact CA-SG 3.38Å; C474-C634 HydrophobicContact CB-CB 4.33Å; C474-C634 WeakPolarHBondContact CB-SG 3.36Å; C474-C634 WeakPolarHBondContact SG-CA 3.31Å; C474-C634 WeakPolarHBondContact SG-CB 3.25Å; C474-C634 CovalentContact SG-SG 2.03Å; C474-C634 PolarHBondContact SG-SG 2.96Å; T625-C634 CarbonylContact C-O 3.57Å; T625-C634 WeakPolarHBondContact CA-O 3.42Å; Y626-C634 PolarHBondContact N-O 2.94Å; Y626-C634 PolarHBondContact O-N 2.91Å; C634-Y636 HydrophobicContact CB-CE1 4.42Å; C634-Y636 HydrophobicContact CB-CE2 4.44Å; C634-Y636 WeakPolarHBondContact SG-CE1 3.49Å; C634-Y636 PolarHBondContact SG-OH 3.48Å
635	T	93.1	Very high	90.7	Very high	3 Å²	3	48 Å²	48	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.6	179.4	-51	0	0	0	0	111	C474 L475 P478 L623 L624 T625	C474-T635 PolarHBondContact SG-N 3.09Å; C474-T635 VanDerWaalsContact SG-N 3.44Å; L475-T635 WeakPolarHBondContact CB-O 3.16Å; L475-T635 HydrophobicContact CD1-CG2 4.17Å; L475-T635 WeakPolarHBondContact CG-O 3.47Å; L475-T635 PolarHBondContact N-O 3.02Å; P478-T635 HydrophobicContact CB-CG2 3.92Å; L623-T635 HydrophobicContact CB-CG2 4.07Å; L623-T635 HydrophobicContact CD2-CG2 4.32Å; L624-T635 CarbonylContact O-C 3.42Å; L624-T635 WeakPolarHBondContact O-CA 3.3Å; T625-T635 WeakPolarHBondContact OG1-CG2 3.46Å; T625-T635 PolarHBondContact OG1-OG1 3.41Å
636	Y	92.7	Very high	90.7	Very high	11 Å²	11	48 Å²	48	4%	0.043	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	149	178.8	-46.1	-74.1	0	0	0	110.1	N471 P472 L623 L624 C634 L641 L650	N471-Y636 HydrophobicContact CB-CE1 4.18Å; N471-Y636 WeakPolarHBondContact CB-OH 3.25Å; N471-Y636 PolarHBondContact ND2-OH 2.83Å; N471-Y636 VanDerWaalsContact ND2-OH 3.14Å; P472-Y636 HydrophobicContact CB-CD1 4.17Å; P472-Y636 HydrophobicContact CG-CD1 4.39Å; P472-Y636 WeakPolarHBondContact O-CE1 3.4Å; L623-Y636 WeakPolarHBondContact CA-O 3.36Å; L624-Y636 PolarHBondContact N-O 3.43Å; L624-Y636 PolarHBondContact O-N 2.84Å; C634-Y636 HydrophobicContact CB-CE1 4.42Å; C634-Y636 HydrophobicContact CB-CE2 4.44Å; C634-Y636 WeakPolarHBondContact SG-CE1 3.49Å; C634-Y636 PolarHBondContact SG-OH 3.48Å; Y636-L641 HydrophobicContact CD2-CD1 4.16Å; Y636-L641 HydrophobicContact CD2-CD2 4.26Å; Y636-L641 HydrophobicContact CD2-CG 4.49Å; Y636-L641 HydrophobicContact CG-CD1 4.26Å; Y636-L641 HydrophobicContact CG-CD2 4.24Å; Y636-L641 HydrophobicContact CG-CG 4.25Å; Y636-L650 HydrophobicContact CD2-CD2 4.49Å; Y636-L650 HydrophobicContact CE2-CD2 3.99Å
637	L	92.6	Very high	90.6	Very high	51 Å²	51	49 Å²	49	27%	0.267	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	138	157.2	-74.4	160.9	0	0	0	108.7	L475 A621 L623 S639 M640 L641	L475-L637 HydrophobicContact CD1-CG 4.32Å; L475-L637 HydrophobicContact CD2-CD1 4.45Å; A621-L637 HydrophobicContact CB-CD2 4.12Å; L623-L637 HydrophobicContact CD2-CD2 3.77Å; L623-L637 HydrophobicContact CD2-CG 4.24Å; L637-S639 PolarHBondContact O-N 2.68Å; L637-M640 HydrophobicContact CB-CB 4.35Å; L637-M640 HydrophobicContact CB-CE 3.95Å; L637-M640 HydrophobicContact CB-CG 4.08Å; L637-M640 HydrophobicContact CD1-CE 4.27Å; L637-M640 HydrophobicContact CD1-CG 4.41Å; L637-M640 HydrophobicContact CG-CE 4.29Å; L637-M640 PolarHBondContact O-N 3.08Å; L637-M640 VanDerWaalsContact O-N 3.15Å; L637-L641 PolarHBondContact O-N 2.66Å
638	L	92.5	Very high	90.5	Very high	13 Å²	13	52.7 Å²	52.7	7%	0.068	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-28.2	177.9	-166.4	65.7	0	0	0	112.1	E457 L458 C461 Y622 L641 N642	E457-L638 HydrophobicContact CB-CD2 3.89Å; L458-L638 HydrophobicContact CD2-CD1 3.96Å; L458-L638 HydrophobicContact CD2-CD2 4.45Å; C461-L638 HydrophobicContact CB-CD1 3.92Å; C461-L638 HydrophobicContact CB-CD2 4.33Å; C461-L638 HydrophobicContact CB-CG 3.97Å; Y622-L638 WeakPolarHBondContact O-CB 3.29Å; Y622-L638 PolarHBondContact O-N 2.84Å; L638-L641 HydrophobicContact CD1-CD1 4.26Å; L638-L641 PolarHBondContact O-N 3.34Å; L638-N642 PolarHBondContact O-N 3.2Å; L638-N642 VanDerWaalsContact O-N 3.1Å
639	S	90.8	Very high	90.6	Very high	61 Å²	61	55.4 Å²	55.4	43%	0.427	29%	0.286	S	S	.	.	H	α-helix	trans	-64.4	-44.8	171	51.3	0	0	0	0	112.9	L637 L641 N642 E643	L637-S639 PolarHBondContact O-N 2.68Å; S639-L641 VanDerWaalsContact C-N 3.3Å; S639-L641 PolarHBondContact O-N 2.9Å; S639-N642 CarbonylContact O-C 3.44Å; S639-N642 WeakPolarHBondContact O-CA 3.48Å; S639-N642 VanDerWaalsContact O-CB 3.23Å; S639-N642 WeakPolarHBondContact O-CB 3.44Å; S639-N642 PolarHBondContact O-N 3.14Å; S639-E643 WeakPolarHBondContact O-CG 3.36Å; S639-E643 PolarHBondContact O-N 2.38Å
640	M	91.4	Very high	90.8	Very high	41 Å²	41	49.1 Å²	49.1	20%	0.202	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-37.9	176.5	-71.5	-167.2	-59.3	0	0	112.2	L475 L637 N642 E643 M644	L475-M640 HydrophobicContact CD2-CE 3.63Å; L475-M640 HydrophobicContact CG-CE 4.03Å; L637-M640 HydrophobicContact CB-CB 4.35Å; L637-M640 HydrophobicContact CB-CE 3.95Å; L637-M640 HydrophobicContact CB-CG 4.08Å; L637-M640 HydrophobicContact CD1-CE 4.27Å; L637-M640 HydrophobicContact CD1-CG 4.41Å; L637-M640 HydrophobicContact CG-CE 4.29Å; L637-M640 PolarHBondContact O-N 3.08Å; L637-M640 VanDerWaalsContact O-N 3.15Å; M640-N642 VanDerWaalsContact C-N 3.26Å; M640-N642 PolarHBondContact O-N 2.65Å; M640-E643 PolarHBondContact O-N 2.95Å; M640-M644 WeakPolarHBondContact O-CB 3.02Å; M640-M644 PolarHBondContact O-N 2.83Å
641	L	92.2	Very high	91.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-36.7	172.3	-73.4	165.5	0	0	0	111.4	M465 P472 L624 Y636 L637 L638 S639 G645 C646 L650	M465-L641 HydrophobicContact CE-CB 4.15Å; M465-L641 WeakPolarHBondContact CG-O 3.42Å; P472-L641 HydrophobicContact CG-CD2 3.78Å; P472-L641 HydrophobicContact CG-CG 4.33Å; L624-L641 HydrophobicContact CB-CD1 3.94Å; L624-L641 HydrophobicContact CD2-CD1 3.44Å; L624-L641 VanDerWaalsContact CD2-CD1 3.44Å; L624-L641 HydrophobicContact CG-CD1 4.32Å; Y636-L641 HydrophobicContact CD2-CD1 4.16Å; Y636-L641 HydrophobicContact CD2-CD2 4.26Å; Y636-L641 HydrophobicContact CD2-CG 4.49Å; Y636-L641 HydrophobicContact CG-CD1 4.26Å; Y636-L641 HydrophobicContact CG-CD2 4.24Å; Y636-L641 HydrophobicContact CG-CG 4.25Å; L637-L641 PolarHBondContact O-N 2.66Å; L638-L641 HydrophobicContact CD1-CD1 4.26Å; L638-L641 PolarHBondContact O-N 3.34Å; S639-L641 VanDerWaalsContact C-N 3.3Å; S639-L641 PolarHBondContact O-N 2.9Å; L641-G645 WeakPolarHBondContact O-CA 3.25Å; L641-G645 PolarHBondContact O-N 2.85Å; L641-C646 HydrophobicContact CD2-CB 3.69Å; L641-L650 HydrophobicContact CD2-CD2 4.15Å
642	N	90.9	Very high	91.6	Very high	47 Å²	47	42.3 Å²	42.3	25%	0.251	23%	0.233	S	C	.	.	H	α-helix	trans	-69.1	-38.4	177.5	-156.6	40.3	0	0	0	113.1	C461 T464 M465 P466 L638 S639 M640	C461-N642 WeakPolarHBondContact CA-OD1 2.94Å; C461-N642 PolarHBondContact O-OD1 2.83Å; T464-N642 VanDerWaalsContact OG1-CG 3.26Å; T464-N642 PolarHBondContact OG1-ND2 2.99Å; T464-N642 PolarHBondContact OG1-OD1 3.42Å; M465-N642 PolarHBondContact N-OD1 2.63Å; P466-N642 WeakPolarHBondContact CD-O 3.27Å; L638-N642 PolarHBondContact O-N 3.2Å; L638-N642 VanDerWaalsContact O-N 3.1Å; S639-N642 CarbonylContact O-C 3.44Å; S639-N642 WeakPolarHBondContact O-CA 3.48Å; S639-N642 VanDerWaalsContact O-CB 3.23Å; S639-N642 WeakPolarHBondContact O-CB 3.44Å; S639-N642 PolarHBondContact O-N 3.14Å; M640-N642 VanDerWaalsContact C-N 3.26Å; M640-N642 PolarHBondContact O-N 2.65Å
643	E	91.4	Very high	91.9	Very high	146 Å²	146	39.6 Å²	39.6	68%	0.682	21%	0.214	S	C	*	.	H	α-helix	trans	-79.5	-41.3	-179	-70.7	166.3	-157.7	0	0	112.9	P466 S639 M640	P466-E643 WeakPolarHBondContact CG-O 3.22Å; S639-E643 WeakPolarHBondContact O-CG 3.36Å; S639-E643 PolarHBondContact O-N 2.38Å; M640-E643 PolarHBondContact O-N 2.95Å
644	M	93.5	Very high	92.2	Very high	105 Å²	105	38.5 Å²	38.5	52%	0.517	21%	0.206	S	C	.	.	H	α-helix	trans	-102.1	-16.1	-170.4	-60.1	-172.8	70.7	0	0	114.5	A468 P472 M640	A468-M644 WeakPolarHBondContact CB-O 3.45Å; P472-M644 HydrophobicContact CB-SD 4.05Å; P472-M644 HydrophobicContact CG-CB 4.23Å; M640-M644 WeakPolarHBondContact O-CB 3.02Å; M640-M644 PolarHBondContact O-N 2.83Å
645	G	92.9	Very high	92.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.			trans	80.6	-177.4	-170.1	0	0	0	0	0	113.9	P466 P472 L641	P466-G645 WeakPolarHBondContact O-CA 3.13Å; P472-G645 WeakPolarHBondContact CD-O 3.33Å; P472-G645 WeakPolarHBondContact CG-O 3.24Å; L641-G645 WeakPolarHBondContact O-CA 3.25Å; L641-G645 PolarHBondContact O-N 2.85Å
646	C	95	Very high	92.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.			trans	-152.6	172.5	173.7	69.2	0	0	0	0	111.4	M465 A468 L641 L650	M465-C646 PolarHBondContact SD-SG 3.34Å; A468-C646 VanDerWaalsContact O-O 3.11Å; L641-C646 HydrophobicContact CD2-CB 3.69Å; C646-L650 HydrophobicContact CB-CB 4.38Å; C646-L650 HydrophobicContact CB-CD2 3.99Å; C646-L650 HydrophobicContact CB-CG 4.36Å
647	T	93.3	Very high	92.2	Very high	36 Å²	36	41.9 Å²	41.9	22%	0.221	22%	0.216	C	C	.	.			trans	-59	153.8	176.9	59.8	0	0	0	0	112.4	N471 E649 L650 R651	N471-T647 WeakPolarHBondContact OD1-CG2 3.27Å; N471-T647 PolarHBondContact OD1-N 2.96Å; N471-T647 PolarHBondContact OD1-OG1 2.99Å; N471-T647 VanDerWaalsContact OD1-OG1 3.05Å; T647-E649 PolarHBondContact O-N 2.85Å; T647-L650 PolarHBondContact O-N 2.64Å; T647-L650 PolarHBondContact OG1-N 3Å; T647-R651 WeakPolarHBondContact O-CB 3.17Å; T647-R651 PolarHBondContact O-N 3.35Å
648	A	89.3	Confident	92.2	Very high	78 Å²	78	40.2 Å²	40.2	65%	0.645	21%	0.208	S	C	*	.	H	α-helix	trans	-56.3	-34	175.2	0	0	0	0	0	113	H652	A648-H652 VanDerWaalsContact O-CB 3.22Å; A648-H652 WeakPolarHBondContact O-CB 3.43Å; A648-H652 PolarHBondContact O-N 2.86Å
649	E	89.5	Confident	92	Very high	75 Å²	75	42 Å²	42	35%	0.35	22%	0.216	S	C	.	.	H	α-helix	trans	-64.5	-53	175.9	-178.4	172.3	-173.5	0	0	111.8	Y626 R629 T647 R651 H652 R653	Y626-E649 PolarHBondContact OH-OE1 3.34Å; R629-E649 IonicContact CZ-OE1 2.68Å; R629-E649 IonicContact NE-OE1 2.66Å; R629-E649 PolarHBondContact NE-OE1 2.77Å; R629-E649 IonicContact NH2-OE1 3.76Å; R629-E649 PolarHBondContact NH2-OE1 2.68Å; T647-E649 PolarHBondContact O-N 2.85Å; E649-R651 VanDerWaalsContact C-N 3.32Å; E649-R651 PolarHBondContact O-N 2.6Å; E649-H652 PolarHBondContact O-N 3.37Å; E649-R653 VanDerWaalsContact O-CG 3.25Å; E649-R653 WeakPolarHBondContact O-CG 3.18Å; E649-R653 PolarHBondContact O-N 3.2Å
650	L	92.4	Very high	91.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-41.7	178.9	-178.6	53.5	0	0	0	110.8	I612 L624 Y626 Y636 L641 C646 T647 H652 R653 L654	I612-L650 HydrophobicContact CD1-CD1 4.23Å; I612-L650 HydrophobicContact CG1-CD1 4.5Å; L624-L650 HydrophobicContact CD2-CD1 4.23Å; L624-L650 HydrophobicContact CD2-CD2 4.5Å; Y626-L650 HydrophobicContact CD1-CD1 4.48Å; Y626-L650 HydrophobicContact CD2-CD1 3.71Å; Y626-L650 HydrophobicContact CE2-CD1 4.21Å; Y626-L650 HydrophobicContact CG-CD1 3.86Å; Y636-L650 HydrophobicContact CD2-CD2 4.49Å; Y636-L650 HydrophobicContact CE2-CD2 3.99Å; L641-L650 HydrophobicContact CD2-CD2 4.15Å; C646-L650 HydrophobicContact CB-CB 4.38Å; C646-L650 HydrophobicContact CB-CD2 3.99Å; C646-L650 HydrophobicContact CB-CG 4.36Å; T647-L650 PolarHBondContact O-N 2.64Å; T647-L650 PolarHBondContact OG1-N 3Å; L650-H652 PolarHBondContact O-N 2.88Å; L650-R653 PolarHBondContact O-N 3.44Å; L650-L654 HydrophobicContact CD1-CD1 4.29Å; L650-L654 HydrophobicContact CD1-CG 4.22Å; L650-L654 HydrophobicContact CG-CD1 4.1Å; L650-L654 HydrophobicContact CG-CG 4.5Å; L650-L654 WeakPolarHBondContact O-CB 3.31Å; L650-L654 VanDerWaalsContact O-CG 3.27Å; L650-L654 WeakPolarHBondContact O-CG 3.48Å; L650-L654 PolarHBondContact O-N 2.03Å
651	R	93.8	Very high	91.6	Very high	38 Å²	38	37.8 Å²	37.8	14%	0.143	19%	0.19	C	C	.	.	H	α-helix	trans	-59.4	-45.7	174.5	-176.9	169.9	-60	-174.4	3.4	113.1	L462 M465 P466 T647 E649 L654 R655	L462-R651 HydrophobicContact CD2-CG 4.08Å; M465-R651 VanDerWaalsContact CG-NH2 3.29Å; M465-R651 PolarHBondContact SD-NH2 3.44Å; P466-R651 PolarHBondContact O-NH2 3.39Å; T647-R651 WeakPolarHBondContact O-CB 3.17Å; T647-R651 PolarHBondContact O-N 3.35Å; E649-R651 VanDerWaalsContact C-N 3.32Å; E649-R651 PolarHBondContact O-N 2.6Å; R651-L654 PolarHBondContact O-N 2.83Å; R651-R655 WeakPolarHBondContact O-CG 3.45Å; R651-R655 PolarHBondContact O-N 3.45Å
652	H	90.7	Very high	91.2	Very high	62 Å²	62	40.3 Å²	40.3	29%	0.287	20%	0.202	S	C	.	.	H	α-helix	trans	-63.8	-42.7	178.2	179.8	94.1	0	0	0	111.1	A648 E649 L650 R655 Y656	A648-H652 VanDerWaalsContact O-CB 3.22Å; A648-H652 WeakPolarHBondContact O-CB 3.43Å; A648-H652 PolarHBondContact O-N 2.86Å; E649-H652 PolarHBondContact O-N 3.37Å; L650-H652 PolarHBondContact O-N 2.88Å; H652-R655 PolarHBondContact O-N 3.32Å; H652-Y656 PolarHBondContact O-N 3.31Å
653	R	92.3	Very high	90.3	Very high	23 Å²	23	42.9 Å²	42.9	9%	0.087	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-43.5	175	-67.6	-83.8	174.8	-122	5.3	111.5	F605 D608 T610 I612 E649 L650 Y656 V657	F605-R653 HydrophobicContact CE2-CB 4.38Å; F605-R653 VanDerWaalsContact CE2-CD 3.48Å; F605-R653 HydrophobicContact CE2-CG 4.5Å; F605-R653 HydrophobicContact CZ-CB 4.18Å; F605-R653 HydrophobicContact CZ-CG 4.43Å; D608-R653 VanDerWaalsContact CG-NH2 3.26Å; D608-R653 IonicContact OD1-CZ 3.69Å; D608-R653 IonicContact OD1-NH2 3.86Å; D608-R653 PolarHBondContact OD1-NH2 3.11Å; D608-R653 IonicContact OD2-CZ 3.14Å; D608-R653 IonicContact OD2-NE 2.64Å; D608-R653 IonicContact OD2-NH2 2.65Å; D608-R653 PolarHBondContact OD2-NH2 3.14Å; T610-R653 PolarHBondContact OG1-NE 3.06Å; I612-R653 HydrophobicContact CD1-CB 3.61Å; E649-R653 VanDerWaalsContact O-CG 3.25Å; E649-R653 WeakPolarHBondContact O-CG 3.18Å; E649-R653 PolarHBondContact O-N 3.2Å; L650-R653 PolarHBondContact O-N 3.44Å; R653-Y656 WeakPolarHBondContact O-CB 3.4Å; R653-Y656 PolarHBondContact O-N 3.29Å; R653-V657 WeakPolarHBondContact O-CG2 3.38Å; R653-V657 PolarHBondContact O-N 2.88Å
654	L	94.6	Very high	89.2	Confident	1 Å²	1	37 Å²	37	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-43.1	175.3	-71.6	171.1	0	0	0	112.8	L458 L462 M465 I612 L624 L650 R651 Y656 V657 V658	L458-L654 HydrophobicContact CD1-CD2 4.47Å; L458-L654 HydrophobicContact CD2-CD2 3.89Å; L462-L654 HydrophobicContact CD1-CB 4.08Å; L462-L654 HydrophobicContact CD2-CB 3.94Å; L462-L654 HydrophobicContact CD2-CD1 4.49Å; L462-L654 HydrophobicContact CG-CB 4.32Å; M465-L654 HydrophobicContact CE-CD1 4.41Å; I612-L654 HydrophobicContact CD1-CD2 4.04Å; I612-L654 HydrophobicContact CD1-CG 4.3Å; L624-L654 HydrophobicContact CD1-CD2 3.87Å; L624-L654 HydrophobicContact CD2-CD1 4.16Å; L624-L654 HydrophobicContact CD2-CD2 3.87Å; L624-L654 HydrophobicContact CD2-CG 4.47Å; L650-L654 HydrophobicContact CD1-CD1 4.29Å; L650-L654 HydrophobicContact CD1-CG 4.22Å; L650-L654 HydrophobicContact CG-CD1 4.1Å; L650-L654 HydrophobicContact CG-CG 4.5Å; L650-L654 WeakPolarHBondContact O-CB 3.31Å; L650-L654 VanDerWaalsContact O-CG 3.27Å; L650-L654 WeakPolarHBondContact O-CG 3.48Å; L650-L654 PolarHBondContact O-N 2.03Å; R651-L654 PolarHBondContact O-N 2.83Å; L654-Y656 VanDerWaalsContact C-N 3.33Å; L654-Y656 PolarHBondContact O-N 2.91Å; L654-V657 PolarHBondContact O-N 3.48Å; L654-V658 PolarHBondContact O-N 2.94Å
655	R	93.5	Very high	87.9	Confident	99 Å²	99	34 Å²	34	37%	0.374	17%	0.172	S	C	.	.	H	α-helix	trans	-59	-43.8	173.6	-75.3	176.8	178.1	173.4	-3.2	111.8	I374 L462 R651 H652 V658 Q659	I374-R655 HydrophobicContact CD1-CB 4.37Å; L462-R655 HydrophobicContact CD1-CB 4.49Å; L462-R655 HydrophobicContact CD1-CG 3.93Å; L462-R655 HydrophobicContact CD2-CG 4.23Å; R651-R655 WeakPolarHBondContact O-CG 3.45Å; R651-R655 PolarHBondContact O-N 3.45Å; H652-R655 PolarHBondContact O-N 3.32Å; R655-V658 PolarHBondContact O-N 2.91Å; R655-Q659 WeakPolarHBondContact O-CG 3.37Å; R655-Q659 PolarHBondContact O-N 3.27Å
656	Y	91.1	Very high	85.9	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-60.2	-45.2	175.3	177.1	-90.6	0	0	0	111.8	I374 L377 V378 T588 A591 F605 H652 R653 L654 V658 Q659 L660	I374-Y656 HydrophobicContact CG2-CD2 4.17Å; L377-Y656 HydrophobicContact CB-CD2 4.09Å; L377-Y656 HydrophobicContact CB-CE2 3.77Å; L377-Y656 HydrophobicContact CD1-CD2 4.45Å; V378-Y656 HydrophobicContact CG2-CD2 4.33Å; V378-Y656 HydrophobicContact CG2-CE2 4.11Å; T588-Y656 PolarHBondContact OG1-OH 3.1Å; A591-Y656 HydrophobicContact CB-CE1 3.97Å; F605-Y656 AromaticContact CE1-CD1 3.46Å; F605-Y656 HydrophobicContact CE1-CD1 3.46Å; F605-Y656 VanDerWaalsContact CE1-CD1 3.46Å; F605-Y656 AromaticContact CE1-CE1 3.79Å; F605-Y656 HydrophobicContact CE1-CE1 3.79Å; F605-Y656 HydrophobicContact CE1-CG 4.25Å; F605-Y656 AromaticContact CZ-CD1 3.93Å; F605-Y656 HydrophobicContact CZ-CD1 3.93Å; F605-Y656 HydrophobicContact CZ-CE1 4.48Å; H652-Y656 PolarHBondContact O-N 3.31Å; R653-Y656 WeakPolarHBondContact O-CB 3.4Å; R653-Y656 PolarHBondContact O-N 3.29Å; L654-Y656 VanDerWaalsContact C-N 3.33Å; L654-Y656 PolarHBondContact O-N 2.91Å; Y656-V658 VanDerWaalsContact C-N 3.34Å; Y656-V658 PolarHBondContact O-N 3.31Å; Y656-Q659 PolarHBondContact O-N 3.37Å; Y656-L660 HydrophobicContact CE1-CD2 3.74Å; Y656-L660 VanDerWaalsContact O-CB 3.27Å; Y656-L660 WeakPolarHBondContact O-CB 3.26Å; Y656-L660 PolarHBondContact O-N 3.22Å
657	V	92.6	Very high	83.5	Confident	2 Å²	2	44 Å²	44	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-59.3	-44.9	175.9	174.1	0	0	0	0	111.1	L458 L601 V603 F605 I612 R653 L654 L660 L661	L458-V657 HydrophobicContact CD1-CB 4.38Å; L458-V657 HydrophobicContact CD1-CG1 3.68Å; L601-V657 HydrophobicContact CD2-CG1 3.92Å; V603-V657 HydrophobicContact CB-CG2 4.16Å; V603-V657 HydrophobicContact CG1-CG2 4.14Å; V603-V657 HydrophobicContact CG2-CG1 4.2Å; V603-V657 HydrophobicContact CG2-CG2 3.91Å; F605-V657 HydrophobicContact CZ-CG2 4.17Å; I612-V657 HydrophobicContact CD1-CG2 4.3Å; R653-V657 WeakPolarHBondContact O-CG2 3.38Å; R653-V657 PolarHBondContact O-N 2.88Å; L654-V657 PolarHBondContact O-N 3.48Å; V657-L660 PolarHBondContact O-N 2.67Å; V657-L661 HydrophobicContact CG1-CD1 3.96Å; V657-L661 HydrophobicContact CG1-CG 4.39Å; V657-L661 VanDerWaalsContact O-CG 3.3Å; V657-L661 WeakPolarHBondContact O-CG 3.41Å; V657-L661 PolarHBondContact O-N 2.88Å
658	V	92.9	Very high	83.1	Confident	16 Å²	16	44.5 Å²	44.5	10%	0.097	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-46.2	177	163	0	0	0	0	112.6	L458 K459 L462 L654 R655 Y656 L660 L661 Q662	L458-V658 HydrophobicContact CB-CG2 3.44Å; L458-V658 VanDerWaalsContact CB-CG2 3.44Å; L458-V658 HydrophobicContact CD1-CG2 4.42Å; K459-V658 HydrophobicContact CD-CG1 4.21Å; K459-V658 HydrophobicContact CG-CB 4.5Å; K459-V658 HydrophobicContact CG-CG1 3.45Å; K459-V658 VanDerWaalsContact CG-CG1 3.45Å; K459-V658 HydrophobicContact CG-CG2 4.19Å; L462-V658 HydrophobicContact CD1-CB 4.4Å; L462-V658 HydrophobicContact CD1-CG2 3.87Å; L654-V658 PolarHBondContact O-N 2.94Å; R655-V658 PolarHBondContact O-N 2.91Å; Y656-V658 VanDerWaalsContact C-N 3.34Å; Y656-V658 PolarHBondContact O-N 3.31Å; V658-L660 VanDerWaalsContact C-N 3.32Å; V658-L660 PolarHBondContact O-N 3.24Å; V658-L661 PolarHBondContact O-N 3.04Å; V658-Q662 WeakPolarHBondContact O-CB 3.33Å; V658-Q662 PolarHBondContact O-N 3.21Å
659	Q	88.6	Confident	82.7	Confident	50 Å²	50	42.7 Å²	42.7	23%	0.234	22%	0.219	C	C	.	.	H	α-helix	trans	-64.5	-38.3	178	-70.2	-174.9	9.2	0	0	111.6	V378 R655 Y656 Q662 H663	V378-Q659 HydrophobicContact CG2-CB 4.3Å; R655-Q659 WeakPolarHBondContact O-CG 3.37Å; R655-Q659 PolarHBondContact O-N 3.27Å; Y656-Q659 PolarHBondContact O-N 3.37Å; Q659-Q662 PolarHBondContact O-N 3.42Å; Q659-H663 PolarHBondContact O-CD2 3.28Å; Q659-H663 PolarHBondContact O-N 2.79Å
660	L	85.8	Confident	82.4	Confident	8 Å²	8	40.9 Å²	40.9	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-65.5	-40.3	177.1	-177.6	53.1	0	0	0	112.4	I381 T588 V593 Y656 V657 V658 H664	I381-L660 HydrophobicContact CD1-CD1 4.34Å; I381-L660 HydrophobicContact CG1-CD1 4.31Å; T588-L660 HydrophobicContact CG2-CD1 3.57Å; T588-L660 HydrophobicContact CG2-CD2 4.03Å; T588-L660 HydrophobicContact CG2-CG 4.49Å; V593-L660 HydrophobicContact CG2-CD2 3.36Å; V593-L660 HydrophobicContact CG2-CG 4.14Å; Y656-L660 HydrophobicContact CE1-CD2 3.74Å; Y656-L660 VanDerWaalsContact O-CB 3.27Å; Y656-L660 WeakPolarHBondContact O-CB 3.26Å; Y656-L660 PolarHBondContact O-N 3.22Å; V657-L660 PolarHBondContact O-N 2.67Å; V658-L660 VanDerWaalsContact C-N 3.32Å; V658-L660 PolarHBondContact O-N 3.24Å; L660-H664 WeakPolarHBondContact O-CB 3.37Å; L660-H664 PolarHBondContact O-N 2.77Å
661	L	86.4	Confident	81.8	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-69.6	-37.9	174.3	-65	171.8	0	0	0	112	A451 A454 M455 L601 V657 V658 H664 T665	A451-L661 HydrophobicContact CB-CD2 4.01Å; A454-L661 HydrophobicContact CB-CD1 4.14Å; M455-L661 HydrophobicContact CB-CB 3.88Å; M455-L661 HydrophobicContact CB-CD1 4Å; M455-L661 HydrophobicContact CG-CB 4.24Å; M455-L661 HydrophobicContact SD-CB 4.29Å; L601-L661 HydrophobicContact CD1-CD2 4.46Å; L601-L661 HydrophobicContact CD2-CD1 3.89Å; V657-L661 HydrophobicContact CG1-CD1 3.96Å; V657-L661 HydrophobicContact CG1-CG 4.39Å; V657-L661 VanDerWaalsContact O-CG 3.3Å; V657-L661 WeakPolarHBondContact O-CG 3.41Å; V657-L661 PolarHBondContact O-N 2.88Å; V658-L661 PolarHBondContact O-N 3.04Å; L661-H664 WeakPolarHBondContact O-CA 3.17Å; L661-H664 WeakPolarHBondContact O-CB 3.2Å; L661-H664 PolarHBondContact O-N 3.1Å; L661-T665 PolarHBondContact O-N 3.03Å; L661-T665 PolarHBondContact O-OG1 3.05Å
662	Q	83.9	Confident	81	Confident	54 Å²	54	43.6 Å²	43.6	25%	0.252	23%	0.229	S	C	.	.	H	α-helix	trans	-59.6	-49.2	175.5	-177.3	67	40.6	0	0	111.6	M455 V658 Q659 H664 T665 D666	M455-Q662 WeakPolarHBondContact SD-CA 3.35Å; M455-Q662 HydrophobicContact SD-CB 3.81Å; M455-Q662 PolarHBondContact SD-N 3.46Å; M455-Q662 PolarHBondContact SD-OE1 3.07Å; V658-Q662 WeakPolarHBondContact O-CB 3.33Å; V658-Q662 PolarHBondContact O-N 3.21Å; Q659-Q662 PolarHBondContact O-N 3.42Å; Q662-H664 PolarHBondContact O-N 3.24Å; Q662-T665 PolarHBondContact O-N 3.38Å; Q662-T665 PolarHBondContact O-OG1 3.28Å; Q662-D666 PolarHBondContact NE2-OD1 2.92Å; Q662-D666 PolarHBondContact NE2-OD2 3.07Å; Q662-D666 PolarHBondContact O-N 2.95Å
663	H	73.8	Confident	80.4	Confident	100 Å²	100	42.4 Å²	42.4	46%	0.463	23%	0.225	S	C	.	.	H	α-helix	trans	-64.7	-17.7	175.5	-85.1	-77.2	0	0	0	113.7	V378 I381 Q659	V378-H663 VanDerWaalsContact CG1-CD2 3.45Å; V378-H663 WeakPolarHBondContact CG1-CD2 3.2Å; I381-H663 HydrophobicContact CD1-CB 3.62Å; Q659-H663 PolarHBondContact O-CD2 3.28Å; Q659-H663 PolarHBondContact O-N 2.79Å
664	H	67.6	Low	79.5	Confident	24 Å²	24	43.8 Å²	43.8	11%	0.111	24%	0.235	C	C	.	.	H	α-helix	trans	-87.8	-26.8	175.2	-170.7	71.3	0	0	0	113.1	Q584 L660 L661 Q662	Q584-H664 PolarHBondContact OE1-CE1 3.47Å; Q584-H664 PolarHBondContact OE1-NE2 3.46Å; L660-H664 WeakPolarHBondContact O-CB 3.37Å; L660-H664 PolarHBondContact O-N 2.77Å; L661-H664 WeakPolarHBondContact O-CA 3.17Å; L661-H664 WeakPolarHBondContact O-CB 3.2Å; L661-H664 PolarHBondContact O-N 3.1Å; Q662-H664 PolarHBondContact O-N 3.24Å
665	T	66.9	Low	78.4	Confident	40 Å²	40	47.1 Å²	47.1	25%	0.245	25%	0.252	C	S	.	.	H	α-helix	trans	-87.5	-29.4	176.6	50.7	0	0	0	0	113.4	A451 E452 M455 L661 Q662 A667	A451-T665 HydrophobicContact CB-CG2 4.4Å; E452-T665 HydrophobicContact CG-CG2 3.64Å; M455-T665 HydrophobicContact CE-CG2 4.05Å; L661-T665 PolarHBondContact O-N 3.03Å; L661-T665 PolarHBondContact O-OG1 3.05Å; Q662-T665 PolarHBondContact O-N 3.38Å; Q662-T665 PolarHBondContact O-OG1 3.28Å; T665-A667 VanDerWaalsContact C-N 3.27Å; T665-A667 PolarHBondContact O-N 3.34Å
666	D	50.6	Low	77.1	Confident	115 Å²	115	42.8 Å²	42.8	62%	0.615	24%	0.242	S	C	*	.			trans	-80	-1.5	178.9	-66.6	-19.9	0	0	0	114.1	Q662	Q662-D666 PolarHBondContact NE2-OD1 2.92Å; Q662-D666 PolarHBondContact NE2-OD2 3.07Å; Q662-D666 PolarHBondContact O-N 2.95Å
667	A	45	Very low	75.8	Confident	97 Å²	97	46.5 Å²	46.5	80%	0.802	26%	0.264	S	S	*	.			trans	-143.7	0	-167.5	0	0	0	0	0	114.7	K383 T665	K383-A667 PolarHBondContact NZ-O 2.61Å; K383-A667 PolarHBondContact NZ-OXT 2.84Å; T665-A667 VanDerWaalsContact C-N 3.27Å; T665-A667 PolarHBondContact O-N 3.34Å

Retrieved 667 of 667 residues in 379.1 ms (Link to these results)

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