A0A087XUJ7_POEFO Loading...

Leucine rich repeats and calponin homology domain containing 3

AlphaFold DB , UniProt , Accession A0A087XUJ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 692 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	32.6	Very low	30.4	Very low	243 Å²	243	134.5 Å²	134.5	100%	1.197	85%	0.851	S	S	*	*				0	160.2	0	-60.2	176.9	-170.9	0	0	108.2
2	A	30.8	Very low	30.4	Very low	102 Å²	102	132.8 Å²	132.8	84%	0.843	85%	0.847	S	S	*	*			trans	4.3	148.8	165.8	0	0	0	0	0	121.7
3	A	30.8	Very low	30.2	Very low	86 Å²	86	133.1 Å²	133.1	71%	0.711	85%	0.846	S	S	*	*			cis	-171.4	167.6	-13.6	0	0	0	0	0	110.4
4	S	33.9	Very low	30	Very low	113 Å²	113	129.1 Å²	129.1	79%	0.79	84%	0.842	S	S	*	*			trans	21.1	145.3	137.5	-58.5	0	0	0	0	122.4
5	V	32.8	Very low	29.9	Very low	122 Å²	122	131.4 Å²	131.4	74%	0.739	84%	0.843	S	S	*	*			cis	-175.9	171.6	-6.8	63.8	0	0	0	0	111.1
6	L	30	Very low	29.8	Very low	139 Å²	139	133.4 Å²	133.4	73%	0.728	85%	0.845	S	S	*	*			trans	82.3	119	159.2	-65.6	172.2	0	0	0	122.4
7	L	31.2	Very low	29.6	Very low	168 Å²	168	137.9 Å²	137.9	88%	0.88	85%	0.85	S	S	*	*			trans	53.6	134.9	131.3	-60.2	175.8	0	0	0	123.2
8	G	26.2	Very low	29.6	Very low	77 Å²	77	136.6 Å²	136.6	79%	0.794	84%	0.841	S	S	*	*			trans	165.3	115.3	159.3	0	0	0	0	0	112
9	S	28.5	Very low	29.7	Very low	132 Å²	132	136.1 Å²	136.1	92%	0.923	84%	0.838	S	S	*	*			trans	-73.9	148.1	-179.4	-63.3	0	0	0	0	112.5
10	A	29.7	Very low	29.4	Very low	102 Å²	102	133.4 Å²	133.4	84%	0.843	84%	0.838	S	S	*	*			trans	-87.8	140.4	174.3	0	0	0	0	0	111.9
11	E	28	Very low	29.6	Very low	195 Å²	195	131.9 Å²	131.9	91%	0.911	84%	0.838	S	S	*	*			trans	-140.6	161.3	157.8	-142.2	170.2	-142.4	0	0	109.7
12	S	30.1	Very low	29.2	Very low	115 Å²	115	124.3 Å²	124.3	80%	0.804	82%	0.822	S	S	*	*			trans	-98	138.3	-157.3	53.3	0	0	0	0	114.8
13	T	28.6	Very low	29.1	Very low	136 Å²	136	122.8 Å²	122.8	83%	0.834	82%	0.816	S	S	*	*			trans	-122.9	120.3	164.4	48.9	0	0	0	0	110.2
14	G	27.5	Very low	29	Very low	77 Å²	77	127.2 Å²	127.2	79%	0.794	83%	0.828	S	S	*	*			trans	-89.5	148.1	168	0	0	0	0	0	110.5
15	L	28.6	Very low	28.8	Very low	164 Å²	164	126.2 Å²	126.2	86%	0.859	83%	0.827	S	S	*	*			trans	-121.6	117.5	176.3	-69	174.8	0	0	0	110.7
16	N	27.3	Very low	28.6	Very low	164 Å²	164	128.8 Å²	128.8	88%	0.877	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-80.5	148.9	162.7	-80.3	-25.7	0	0	0	109.6
17	F	26.2	Very low	28.6	Very low	210 Å²	210	130.4 Å²	130.4	92%	0.921	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-88.6	162.6	170.1	-114.2	-94.7	0	0	0	112.6
18	T	30.2	Very low	28.4	Very low	113 Å²	113	126 Å²	126	69%	0.693	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-101.3	135.9	-156.1	49.7	0	0	0	0	116.2
19	V	31	Very low	28.6	Very low	128 Å²	128	130.2 Å²	130.2	78%	0.776	84%	0.843	S	S	*	*				41	125.1	125.1	-172.4	0	0	0	0	119.9	A21	V19-A21 HydrophobicContact CG1-CB 4.14Å
20	G	24.9	Very low	28.7	Very low	82 Å²	82	128.5 Å²	128.5	85%	0.845	83%	0.831	S	S	*	*			trans	-122.5	149.1	140.9	0	0	0	0	0	108.8
21	A	32.1	Very low	28.7	Very low	101 Å²	101	131.5 Å²	131.5	84%	0.835	83%	0.833	S	S	*	*			trans	-132.9	161.3	-159.1	0	0	0	0	0	115.9	V19	V19-A21 HydrophobicContact CG1-CB 4.14Å
22	G	25.7	Very low	28.7	Very low	84 Å²	84	125.9 Å²	125.9	87%	0.866	83%	0.827	S	S	*	*			trans	126.8	128.7	170.5	0	0	0	0	0	113.4
23	G	27.5	Very low	29	Very low	70 Å²	70	129.6 Å²	129.6	72%	0.722	84%	0.837	S	S	*	*			cis	158.4	109.6	-11.9	0	0	0	0	0	113.7
24	N	28.6	Very low	29	Very low	179 Å²	179	126.2 Å²	126.2	96%	0.957	83%	0.829	S	S	*	*			trans	-176	156.6	146.2	-104.7	-18.2	0	0	0	110.8
25	A	29.5	Very low	29.3	Very low	93 Å²	93	132.1 Å²	132.1	77%	0.769	84%	0.836	S	S	*	*			trans	-137.9	146.6	-177.6	0	0	0	0	0	112
26	I	30.2	Very low	29.7	Very low	175 Å²	175	131.2 Å²	131.2	90%	0.897	84%	0.838	S	S	*	*			trans	-134	143.6	158.2	-65.1	-174.4	0	0	0	107.4
27	L	30.1	Very low	30.4	Very low	173 Å²	173	125.8 Å²	125.8	91%	0.906	82%	0.82	S	S	*	*			trans	-85.9	157.9	-170.9	-70.1	154.2	0	0	0	112.8
28	G	27.1	Very low	31.2	Very low	76 Å²	76	121.2 Å²	121.2	78%	0.784	81%	0.812	S	S	*	*			trans	-165.8	43	-175.4	0	0	0	0	0	116.8
29	N	29	Very low	32	Very low	166 Å²	166	118.6 Å²	118.6	89%	0.888	80%	0.801	S	S	*	*			trans	45.2	142.7	167.3	-86.2	21.8	0	0	0	122.6
30	S	30.8	Very low	33.3	Very low	96 Å²	96	116.8 Å²	116.8	67%	0.671	79%	0.794	S	S	*	*			trans	-91	142.8	176.1	53.1	0	0	0	0	113.6
31	N	30.3	Very low	34.6	Very low	165 Å²	165	120.1 Å²	120.1	88%	0.882	78%	0.782	S	S	*	*				176.7	142.1	115.6	-88.1	-16	0	0	0	111.8
32	G	27.8	Very low	36.1	Very low	77 Å²	77	120.2 Å²	120.2	79%	0.794	77%	0.768	S	S	*	*			trans	153.4	86.1	177.3	0	0	0	0	0	112.9	G34	G32-G34 PolarHBondContact O-N 3.45Å
33	L	36.6	Very low	38	Very low	193 Å²	193	125.5 Å²	125.5	100%	1.01	76%	0.762	S	S	*	*			trans	-70.8	121.7	178.8	-74.6	161.7	0	0	0	111.1
34	G	28.6	Very low	40.6	Very low	65 Å²	65	124.9 Å²	124.9	67%	0.67	75%	0.747	S	S	*	*			trans	-152.9	126.5	173.7	0	0	0	0	0	110.8	G32 T36	G32-G34 PolarHBondContact O-N 3.45Å; G34-T36 PolarHBondContact O-N 3.18Å
35	Q	33.1	Very low	43.4	Very low	200 Å²	200	117.1 Å²	117.1	94%	0.935	71%	0.705	S	S	*	*			trans	-67.6	121.8	-173.5	-66	174.6	-3.1	0	0	111.4	G37	Q35-G37 VanDerWaalsContact C-N 3.33Å; Q35-G37 PolarHBondContact O-N 3.43Å
36	T	37.1	Very low	46.1	Very low	146 Å²	146	115.2 Å²	115.2	90%	0.896	68%	0.682	S	S	*	*			trans	-79.4	78.8	179	55	0	0	0	0	112.1	G34	G34-T36 PolarHBondContact O-N 3.18Å
37	G	42.1	Very low	48.8	Very low	49 Å²	49	114.1 Å²	114.1	51%	0.505	67%	0.666	S	S	.	*			trans	-64.4	-177.1	160	0	0	0	0	0	112.8	Q35 A39	Q35-G37 VanDerWaalsContact C-N 3.33Å; Q35-G37 PolarHBondContact O-N 3.43Å; G37-A39 PolarHBondContact O-N 3.44Å
38	P	43	Very low	51.6	Low	115 Å²	115	106.2 Å²	106.2	75%	0.747	63%	0.626	S	S	*	*	S	Bend	trans	-75.2	53.9	-167.3	31.9	-37.7	0	0	0	115.1	S40	P38-S40 VanDerWaalsContact C-N 3.26Å; P38-S40 PolarHBondContact O-N 3.33Å
39	A	47.2	Very low	54.6	Low	57 Å²	57	102.6 Å²	102.6	47%	0.471	59%	0.589	S	S	.	*	H	α-helix	trans	-66.8	-16.5	-172.9	0	0	0	0	0	115.5	G37 R43	G37-A39 PolarHBondContact O-N 3.44Å; A39-R43 WeakPolarHBondContact O-CG 3.33Å; A39-R43 PolarHBondContact O-N 2.74Å
40	S	57.2	Low	57.3	Low	90 Å²	90	100.2 Å²	100.2	63%	0.629	57%	0.572	S	S	*	*	H	α-helix	trans	-69	-39.3	-177.2	172.1	0	0	0	0	113.5	P38 S44	P38-S40 VanDerWaalsContact C-N 3.26Å; P38-S40 PolarHBondContact O-N 3.33Å; S40-S44 PolarHBondContact O-OG 3.4Å
41	W	53.1	Low	59.9	Low	153 Å²	153	100 Å²	100	58%	0.58	56%	0.561	S	S	*	*	H	α-helix	trans	-86	-32.9	-173.4	-69.6	14.4	0	0	0	112.8	S44 L45 K64	W41-S44 PolarHBondContact O-OG 3.37Å; W41-S44 VanDerWaalsContact O-OG 3.14Å; W41-L45 VanDerWaalsContact O-CB 3.29Å; W41-L45 WeakPolarHBondContact O-CB 3.44Å; W41-L45 PolarHBondContact O-N 3.07Å; W41-L45 VanDerWaalsContact O-N 3.15Å; W41-K64 HydrophobicContact CH2-CD 4.16Å
42	N	63.6	Low	62.6	Low	103 Å²	103	92.2 Å²	92.2	55%	0.551	52%	0.519	S	S	*	.	H	α-helix	trans	-66.5	-48.3	175.6	-68.4	6.4	0	0	0	110.4	S44 L45 D46	N42-S44 VanDerWaalsContact C-N 3.29Å; N42-S44 PolarHBondContact O-N 3.22Å; N42-L45 CarbonylContact O-C 3.41Å; N42-L45 WeakPolarHBondContact O-CA 3.42Å; N42-L45 WeakPolarHBondContact O-CB 3.13Å; N42-L45 PolarHBondContact O-N 3.44Å; N42-D46 PolarHBondContact O-N 3.16Å; N42-D46 VanDerWaalsContact O-OD2 3.08Å
43	R	66.4	Low	65.3	Low	194 Å²	194	90.1 Å²	90.1	73%	0.732	49%	0.492	S	S	*	.	H	α-helix	trans	-57.4	-37.7	177.5	-71	-174.9	-175.9	-143.6	3.4	113.9	A39 L45 R47	A39-R43 WeakPolarHBondContact O-CG 3.33Å; A39-R43 PolarHBondContact O-N 2.74Å; R43-L45 VanDerWaalsContact C-N 3.27Å; R43-R47 VanDerWaalsContact O-CB 3.25Å; R43-R47 WeakPolarHBondContact O-CB 3.46Å; R43-R47 PolarHBondContact O-N 3.29Å
44	S	82	Confident	67.4	Low	58 Å²	58	84.4 Å²	84.4	41%	0.406	47%	0.465	S	S	.	.	H	α-helix	trans	-77.5	-14.2	176.9	68.2	0	0	0	0	113.3	S40 W41 N42 R63	S40-S44 PolarHBondContact O-OG 3.4Å; W41-S44 PolarHBondContact O-OG 3.37Å; W41-S44 VanDerWaalsContact O-OG 3.14Å; N42-S44 VanDerWaalsContact C-N 3.29Å; N42-S44 PolarHBondContact O-N 3.22Å; S44-R63 VanDerWaalsContact C-NH1 3.29Å; S44-R63 PolarHBondContact O-NH1 3.46Å
45	L	86.8	Confident	70	Confident	15 Å²	15	83.7 Å²	83.7	8%	0.079	45%	0.45	C	S	.	.	H	α-helix	trans	-90.6	-47.4	175.7	-172.9	148.7	0	0	0	111.5	W41 N42 R43 R47 A48 L49 L60 L65 P69	W41-L45 VanDerWaalsContact O-CB 3.29Å; W41-L45 WeakPolarHBondContact O-CB 3.44Å; W41-L45 PolarHBondContact O-N 3.07Å; W41-L45 VanDerWaalsContact O-N 3.15Å; N42-L45 CarbonylContact O-C 3.41Å; N42-L45 WeakPolarHBondContact O-CA 3.42Å; N42-L45 WeakPolarHBondContact O-CB 3.13Å; N42-L45 PolarHBondContact O-N 3.44Å; R43-L45 VanDerWaalsContact C-N 3.27Å; L45-R47 VanDerWaalsContact C-N 3.32Å; L45-R47 PolarHBondContact O-N 3.26Å; L45-A48 CarbonylContact O-C 3.44Å; L45-A48 WeakPolarHBondContact O-CA 3.39Å; L45-A48 WeakPolarHBondContact O-CB 3.27Å; L45-A48 PolarHBondContact O-N 2.95Å; L45-L49 HydrophobicContact CD2-CD1 3.65Å; L45-L49 HydrophobicContact CD2-CG 4.19Å; L45-L49 WeakPolarHBondContact O-CG 3.5Å; L45-L49 PolarHBondContact O-N 2.91Å; L45-L60 HydrophobicContact CG-CD2 4.15Å; L45-L65 HydrophobicContact CD1-CD1 4.36Å; L45-L65 HydrophobicContact CD1-CD2 3.88Å; L45-P69 HydrophobicContact CD1-CB 4.04Å; L45-P69 HydrophobicContact CD1-CG 3.7Å; L45-P69 HydrophobicContact CD2-CB 3.33Å; L45-P69 HydrophobicContact CD2-CG 3.65Å; L45-P69 HydrophobicContact CG-CB 4.27Å; L45-P69 HydrophobicContact CG-CG 4.12Å
46	D	86.1	Confident	72.6	Confident	54 Å²	54	74.2 Å²	74.2	29%	0.289	41%	0.406	S	S	.	.	H	α-helix	trans	-60.1	-44.9	176.4	-59.9	-44.2	0	0	0	110	N42 A48 L49 E50 S71	N42-D46 PolarHBondContact O-N 3.16Å; N42-D46 VanDerWaalsContact O-OD2 3.08Å; D46-A48 PolarHBondContact O-N 2.61Å; D46-A48 VanDerWaalsContact O-N 3.17Å; D46-L49 WeakPolarHBondContact O-CB 3.37Å; D46-L49 PolarHBondContact O-N 3.36Å; D46-E50 PolarHBondContact O-N 3.34Å; D46-S71 WeakPolarHBondContact OD1-CB 3.4Å; D46-S71 PolarHBondContact OD1-OG 3.26Å
47	R	87.4	Confident	75.2	Confident	151 Å²	151	69.6 Å²	69.6	57%	0.57	38%	0.379	S	S	*	.	H	α-helix	trans	-54.6	-33.6	169.1	176	176.9	165.2	158.2	5.1	113.4	R43 L45 E51	R43-R47 VanDerWaalsContact O-CB 3.25Å; R43-R47 WeakPolarHBondContact O-CB 3.46Å; R43-R47 PolarHBondContact O-N 3.29Å; L45-R47 VanDerWaalsContact C-N 3.32Å; L45-R47 PolarHBondContact O-N 3.26Å; R47-E51 HydrophobicContact CG-CG 4.35Å; R47-E51 IonicContact CZ-OE1 2.75Å; R47-E51 IonicContact NE-OE1 3.06Å; R47-E51 PolarHBondContact NE-OE1 3.31Å; R47-E51 IonicContact NH2-OE1 3.4Å; R47-E51 PolarHBondContact NH2-OE1 2.89Å; R47-E51 VanDerWaalsContact O-CB 3.3Å; R47-E51 WeakPolarHBondContact O-CB 3.41Å; R47-E51 VanDerWaalsContact O-CG 3.26Å; R47-E51 WeakPolarHBondContact O-CG 3.4Å; R47-E51 PolarHBondContact O-N 3.14Å
48	A	87.9	Confident	77.6	Confident	7 Å²	7	67.4 Å²	67.4	6%	0.058	36%	0.356	C	S	.	.	H	α-helix	trans	-83.1	-15.2	179.7	0	0	0	0	0	113.5	L45 D46 A52 L60	L45-A48 CarbonylContact O-C 3.44Å; L45-A48 WeakPolarHBondContact O-CA 3.39Å; L45-A48 WeakPolarHBondContact O-CB 3.27Å; L45-A48 PolarHBondContact O-N 2.95Å; D46-A48 PolarHBondContact O-N 2.61Å; D46-A48 VanDerWaalsContact O-N 3.17Å; A48-A52 VanDerWaalsContact O-CB 3.26Å; A48-A52 WeakPolarHBondContact O-CB 3.46Å; A48-A52 PolarHBondContact O-N 3.36Å; A48-L60 HydrophobicContact CB-CD2 4.32Å
49	L	90.2	Very high	80	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-82.3	-39.1	167.7	-62.6	167.1	0	0	0	110.1	L45 D46 A52 S53 L58 A72 H75 L77	L45-L49 HydrophobicContact CD2-CD1 3.65Å; L45-L49 HydrophobicContact CD2-CG 4.19Å; L45-L49 WeakPolarHBondContact O-CG 3.5Å; L45-L49 PolarHBondContact O-N 2.91Å; D46-L49 WeakPolarHBondContact O-CB 3.37Å; D46-L49 PolarHBondContact O-N 3.36Å; L49-A52 WeakPolarHBondContact O-CB 3.37Å; L49-A52 PolarHBondContact O-N 3.4Å; L49-S53 PolarHBondContact O-N 3.06Å; L49-L58 HydrophobicContact CD2-CD1 3.87Å; L49-A72 HydrophobicContact CD1-CB 4.15Å; L49-A72 HydrophobicContact CD2-CB 3.79Å; L49-H75 HydrophobicContact CB-CB 4.33Å; L49-L77 HydrophobicContact CD2-CD1 3.97Å
50	E	86.9	Confident	82.2	Confident	117 Å²	117	63.4 Å²	63.4	55%	0.547	32%	0.32	S	S	.	.	H	α-helix	trans	-63.7	-47.7	170.8	-176.2	-179.9	-150.4	0	0	112.1	D46 A52 S53 V54	D46-E50 PolarHBondContact O-N 3.34Å; E50-A52 PolarHBondContact O-N 2.98Å; E50-S53 PolarHBondContact O-N 2.97Å; E50-S53 PolarHBondContact O-OG 3.06Å; E50-V54 WeakPolarHBondContact O-CG2 3.45Å; E50-V54 PolarHBondContact O-N 3.05Å
51	E	84	Confident	84	Confident	92 Å²	92	60.8 Å²	60.8	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-26.9	171.8	-76.1	173.5	173.1	0	0	112	R47 S55	R47-E51 HydrophobicContact CG-CG 4.35Å; R47-E51 IonicContact CZ-OE1 2.75Å; R47-E51 IonicContact NE-OE1 3.06Å; R47-E51 PolarHBondContact NE-OE1 3.31Å; R47-E51 IonicContact NH2-OE1 3.4Å; R47-E51 PolarHBondContact NH2-OE1 2.89Å; R47-E51 VanDerWaalsContact O-CB 3.3Å; R47-E51 WeakPolarHBondContact O-CB 3.41Å; R47-E51 VanDerWaalsContact O-CG 3.26Å; R47-E51 WeakPolarHBondContact O-CG 3.4Å; R47-E51 PolarHBondContact O-N 3.14Å; E51-S55 WeakPolarHBondContact O-CB 3.44Å; E51-S55 PolarHBondContact O-N 3.49Å; E51-S55 PolarHBondContact O-OG 3.42Å
52	A	86.8	Confident	85.9	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-79.1	-41.9	176.7	0	0	0	0	0	113.3	A48 L49 E50 V54 S55 G56 L58 L77	A48-A52 VanDerWaalsContact O-CB 3.26Å; A48-A52 WeakPolarHBondContact O-CB 3.46Å; A48-A52 PolarHBondContact O-N 3.36Å; L49-A52 WeakPolarHBondContact O-CB 3.37Å; L49-A52 PolarHBondContact O-N 3.4Å; E50-A52 PolarHBondContact O-N 2.98Å; A52-V54 PolarHBondContact O-N 2.76Å; A52-S55 PolarHBondContact O-N 3.09Å; A52-G56 WeakPolarHBondContact O-CA 3.45Å; A52-G56 PolarHBondContact O-N 3.25Å; A52-L58 HydrophobicContact CB-CB 3.98Å; A52-L58 HydrophobicContact CB-CD1 3.74Å; A52-L58 HydrophobicContact CB-CG 4.5Å; A52-L77 HydrophobicContact CB-CD2 3.71Å
53	S	85.6	Confident	87.2	Confident	32 Å²	32	53.7 Å²	53.7	22%	0.224	28%	0.28	C	S	.	.	H	α-helix	trans	-64.6	-25.7	175.8	67	0	0	0	0	112.3	L49 E50 D76 R626	L49-S53 PolarHBondContact O-N 3.06Å; E50-S53 PolarHBondContact O-N 2.97Å; E50-S53 PolarHBondContact O-OG 3.06Å; S53-D76 WeakPolarHBondContact CA-O 3.37Å; S53-D76 WeakPolarHBondContact CB-O 3.29Å; S53-R626 PolarHBondContact O-NH1 3.47Å; S53-R626 PolarHBondContact O-NH2 3.12Å
54	V	81.1	Confident	88.4	Confident	74 Å²	74	49.9 Å²	49.9	45%	0.448	27%	0.269	S	S	.	.	H	α-helix	trans	-81.2	-56.4	169	-178.6	0	0	0	0	112.1	E50 A52 G56 R626	E50-V54 WeakPolarHBondContact O-CG2 3.45Å; E50-V54 PolarHBondContact O-N 3.05Å; A52-V54 PolarHBondContact O-N 2.76Å; V54-G56 PolarHBondContact O-N 2.97Å; V54-R626 WeakPolarHBondContact O-CD 3.49Å; V54-R626 PolarHBondContact O-NE 3.46Å; V54-R626 PolarHBondContact O-NH2 2.8Å
55	S	83.1	Confident	88.8	Confident	49 Å²	49	48.7 Å²	48.7	34%	0.343	26%	0.257	S	S	.	.	H	α-helix	trans	-80.9	-13.9	-170.5	66.1	0	0	0	0	115.7	E51 A52 C57	E51-S55 WeakPolarHBondContact O-CB 3.44Å; E51-S55 PolarHBondContact O-N 3.49Å; E51-S55 PolarHBondContact O-OG 3.42Å; A52-S55 PolarHBondContact O-N 3.09Å; S55-C57 PolarHBondContact O-N 3.34Å; S55-C57 WeakPolarHBondContact OG-CB 3.45Å; S55-C57 PolarHBondContact OG-N 3.04Å; S55-C57 VanDerWaalsContact OG-N 3.09Å; S55-C57 PolarHBondContact OG-O 3.15Å
56	G	87.1	Confident	89	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.01	29%	0.285	C	S	.	.	S	Bend	trans	63.7	15.6	-165.6	0	0	0	0	0	113.6	A52 V54 T80 V81 R82	A52-G56 WeakPolarHBondContact O-CA 3.45Å; A52-G56 PolarHBondContact O-N 3.25Å; V54-G56 PolarHBondContact O-N 2.97Å; G56-T80 CarbonylContact O-C 3.58Å; G56-V81 PolarHBondContact O-N 3.09Å; G56-R82 PolarHBondContact O-N 3.25Å; G56-R82 VanDerWaalsContact O-N 3.13Å
57	C	90.8	Very high	89.3	Confident	49 Å²	49	58.2 Å²	58.2	33%	0.331	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	94.1	-175.5	-63.9	0	0	0	0	110.9	S55 R82	S55-C57 PolarHBondContact O-N 3.34Å; S55-C57 WeakPolarHBondContact OG-CB 3.45Å; S55-C57 PolarHBondContact OG-N 3.04Å; S55-C57 VanDerWaalsContact OG-N 3.09Å; S55-C57 PolarHBondContact OG-O 3.15Å; C57-R82 CarbonylContact C-O 3.37Å; C57-R82 WeakPolarHBondContact CA-O 3.4Å
58	L	93.7	Very high	89.4	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	121.4	178.4	-179.6	63.8	0	0	0	111.1	L49 A52 L60 F68 T80 R82 A83 D84 L85 F100	L49-L58 HydrophobicContact CD2-CD1 3.87Å; A52-L58 HydrophobicContact CB-CB 3.98Å; A52-L58 HydrophobicContact CB-CD1 3.74Å; A52-L58 HydrophobicContact CB-CG 4.5Å; L58-L60 HydrophobicContact CD1-CD1 4.13Å; L58-L60 HydrophobicContact CD1-CD2 4.19Å; L58-L60 HydrophobicContact CD1-CG 3.87Å; L58-L60 HydrophobicContact CD2-CD1 4.37Å; L58-L60 HydrophobicContact CG-CD1 4.4Å; L58-L60 HydrophobicContact CG-CG 4.17Å; L58-F68 HydrophobicContact CD2-CE2 4.22Å; L58-F68 HydrophobicContact CD2-CZ 4Å; L58-T80 HydrophobicContact CB-CG2 3.96Å; L58-R82 PolarHBondContact N-O 3.01Å; L58-A83 HydrophobicContact CB-CB 4.33Å; L58-A83 CarbonylContact O-C 3.33Å; L58-A83 WeakPolarHBondContact O-CA 3.36Å; L58-D84 PolarHBondContact O-N 3.22Å; L58-L85 HydrophobicContact CD2-CD2 4.18Å; L58-F100 HydrophobicContact CD2-CE2 3.86Å; L58-F100 HydrophobicContact CD2-CZ 4.22Å
59	N	93.3	Very high	89.4	Confident	89 Å²	89	52.2 Å²	52.2	48%	0.476	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	98.5	175.4	-173.5	-4.5	0	0	0	112.6	S61 R63	N59-S61 VanDerWaalsContact OD1-CB 3.31Å; N59-S61 WeakPolarHBondContact OD1-CB 3.26Å; N59-S61 PolarHBondContact OD1-N 3.4Å; N59-R63 PolarHBondContact O-NH2 2.98Å
60	L	93.8	Very high	89.2	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.311	C	S	.	.			trans	-107.9	17.3	174.7	-56.2	-179.6	0	0	0	112.7	L45 A48 L58 R63 L65 F68 P69 D84 L85 N88	L45-L60 HydrophobicContact CG-CD2 4.15Å; A48-L60 HydrophobicContact CB-CD2 4.32Å; L58-L60 HydrophobicContact CD1-CD1 4.13Å; L58-L60 HydrophobicContact CD1-CD2 4.19Å; L58-L60 HydrophobicContact CD1-CG 3.87Å; L58-L60 HydrophobicContact CD2-CD1 4.37Å; L58-L60 HydrophobicContact CG-CD1 4.4Å; L58-L60 HydrophobicContact CG-CG 4.17Å; L60-R63 WeakPolarHBondContact O-CD 3.49Å; L60-R63 WeakPolarHBondContact O-CG 3.34Å; L60-L65 HydrophobicContact CB-CD1 3.97Å; L60-L65 HydrophobicContact CD1-CD1 4.21Å; L60-F68 HydrophobicContact CD1-CE2 3.99Å; L60-P69 HydrophobicContact CD1-CG 3.8Å; L60-D84 PolarHBondContact N-O 2.98Å; L60-L85 HydrophobicContact CB-CD2 3.82Å; L60-L85 HydrophobicContact CD1-CD2 3.86Å; L60-L85 HydrophobicContact CG-CD2 4.08Å; L60-N88 PolarHBondContact O-ND2 3.4Å
61	S	94.7	Very high	89	Confident	35 Å²	35	57.5 Å²	57.5	25%	0.245	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	140.1	-174.7	-173.1	0	0	0	0	113.5	N59 R63 D84 S86	N59-S61 VanDerWaalsContact OD1-CB 3.31Å; N59-S61 WeakPolarHBondContact OD1-CB 3.26Å; N59-S61 PolarHBondContact OD1-N 3.4Å; S61-R63 VanDerWaalsContact C-N 3.26Å; S61-R63 PolarHBondContact O-N 3.4Å; S61-D84 WeakPolarHBondContact CB-OD1 3.35Å; S61-D84 PolarHBondContact N-O 3.22Å; S61-S86 CarbonylContact C-O 3.28Å; S61-S86 VanDerWaalsContact CA-O 3.24Å; S61-S86 WeakPolarHBondContact CA-O 3.24Å; S61-S86 PolarHBondContact OG-O 3.05Å; S61-S86 PolarHBondContact OG-OG 2.92Å
62	G	92.1	Very high	88.9	Confident	40 Å²	40	53.5 Å²	53.5	41%	0.412	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	2.9	169.9	0	0	0	0	0	116.3	K64 S86 R87	G62-K64 VanDerWaalsContact C-N 3.26Å; G62-K64 PolarHBondContact O-N 3.36Å; G62-S86 PolarHBondContact N-O 3.47Å; G62-R87 WeakPolarHBondContact CA-O 3.45Å
63	R	91.3	Very high	88.6	Confident	67 Å²	67	57.9 Å²	57.9	25%	0.253	31%	0.314	S	S	.	.	S	Bend	trans	-80.3	3.5	-172.1	-64.9	177	-167.9	-118.5	13.2	114.8	S44 N59 L60 S61 L65 N88	S44-R63 VanDerWaalsContact C-NH1 3.29Å; S44-R63 PolarHBondContact O-NH1 3.46Å; N59-R63 PolarHBondContact O-NH2 2.98Å; L60-R63 WeakPolarHBondContact O-CD 3.49Å; L60-R63 WeakPolarHBondContact O-CG 3.34Å; S61-R63 VanDerWaalsContact C-N 3.26Å; S61-R63 PolarHBondContact O-N 3.4Å; R63-L65 HydrophobicContact CB-CD1 4.16Å; R63-L65 HydrophobicContact CB-CD2 4.37Å; R63-L65 HydrophobicContact CB-CG 3.83Å; R63-L65 PolarHBondContact O-N 2.92Å; R63-N88 VanDerWaalsContact C-OD1 3.29Å; R63-N88 WeakPolarHBondContact CA-OD1 3.38Å; R63-N88 PolarHBondContact N-OD1 2.92Å; R63-N88 VanDerWaalsContact N-OD1 3.08Å
64	K	91.1	Very high	88.5	Confident	114 Å²	114	62.9 Å²	62.9	50%	0.496	34%	0.338	S	S	.	.			trans	60	21.5	-179.2	-53.4	167.8	-176	167.5	0	114.1	W41 G62 N88	W41-K64 HydrophobicContact CH2-CD 4.16Å; G62-K64 VanDerWaalsContact C-N 3.26Å; G62-K64 PolarHBondContact O-N 3.36Å; K64-N88 PolarHBondContact N-OD1 3.08Å
65	L	90.8	Very high	88.5	Confident	33 Å²	33	61.5 Å²	61.5	17%	0.173	33%	0.327	C	S	.	.			trans	-60.9	137.2	-176.5	-62.8	172.3	0	0	0	112	L45 L60 R63 P69 N88 R89 L90	L45-L65 HydrophobicContact CD1-CD1 4.36Å; L45-L65 HydrophobicContact CD1-CD2 3.88Å; L60-L65 HydrophobicContact CB-CD1 3.97Å; L60-L65 HydrophobicContact CD1-CD1 4.21Å; R63-L65 HydrophobicContact CB-CD1 4.16Å; R63-L65 HydrophobicContact CB-CD2 4.37Å; R63-L65 HydrophobicContact CB-CG 3.83Å; R63-L65 PolarHBondContact O-N 2.92Å; L65-P69 HydrophobicContact CD1-CG 4.33Å; L65-N88 HydrophobicContact CB-CB 4.27Å; L65-N88 PolarHBondContact N-OD1 3.47Å; L65-R89 CarbonylContact O-C 3.19Å; L65-R89 VanDerWaalsContact O-C 3.23Å; L65-R89 VanDerWaalsContact O-CA 3.24Å; L65-R89 WeakPolarHBondContact O-CA 3.42Å; L65-R89 WeakPolarHBondContact O-CB 3.3Å; L65-R89 PolarHBondContact O-N 3.1Å; L65-L90 HydrophobicContact CB-CD2 4.33Å; L65-L90 PolarHBondContact O-N 3.21Å
66	K	92.1	Very high	88.4	Confident	153 Å²	153	64.4 Å²	64.4	67%	0.665	34%	0.338	S	S	*	.	S	Bend	trans	-96.7	-39.8	172.6	-69.2	-179.1	175.6	-176.9	0	112.6	R89 L90	K66-R89 HydrophobicContact CG-CB 4.5Å; K66-L90 WeakPolarHBondContact O-CD2 3.15Å
67	E	91	Very high	88.4	Confident	116 Å²	116	64.8 Å²	64.8	54%	0.542	34%	0.34	S	S	.	.	S	Bend	trans	-117.4	165.9	178.2	-72.1	165	-133.8	0	0	108.7	R70	E67-R70 IonicContact OE2-CZ 3.16Å; E67-R70 IonicContact OE2-NE 2.74Å; E67-R70 IonicContact OE2-NH2 2.75Å; E67-R70 PolarHBondContact OE2-NH2 3.34Å
68	F	90.2	Very high	88	Confident	17 Å²	17	66.1 Å²	66.1	8%	0.075	35%	0.347	C	S	.	.			trans	-69.3	151.6	167.1	-155.9	-119.7	0	0	0	110.8	L58 L60 R70 A72 L85 P94 E96 V97 F100	L58-F68 HydrophobicContact CD2-CE2 4.22Å; L58-F68 HydrophobicContact CD2-CZ 4Å; L60-F68 HydrophobicContact CD1-CE2 3.99Å; F68-R70 PolarHBondContact O-N 3.41Å; F68-A72 HydrophobicContact CD1-CB 3.98Å; F68-A72 HydrophobicContact CE1-CB 3.42Å; F68-A72 VanDerWaalsContact CE1-CB 3.42Å; F68-A72 HydrophobicContact CZ-CB 4.21Å; F68-L85 HydrophobicContact CE2-CD1 4.39Å; F68-L85 HydrophobicContact CE2-CD2 4.2Å; F68-P94 HydrophobicContact CB-CB 3.58Å; F68-P94 HydrophobicContact CB-CG 3.66Å; F68-P94 HydrophobicContact CD2-CB 4.26Å; F68-P94 HydrophobicContact CD2-CG 4.02Å; F68-P94 HydrophobicContact CG-CB 3.98Å; F68-P94 HydrophobicContact CG-CG 4.11Å; F68-E96 HydrophobicContact CD1-CB 3.68Å; F68-E96 HydrophobicContact CD1-CG 3.92Å; F68-E96 HydrophobicContact CE1-CB 3.71Å; F68-E96 HydrophobicContact CE1-CG 4.34Å; F68-V97 HydrophobicContact CD2-CG2 4.2Å; F68-V97 HydrophobicContact CE2-CG2 3.86Å; F68-V97 HydrophobicContact CZ-CG2 4.24Å; F68-F100 HydrophobicContact CZ-CZ 4.16Å
69	P	88.1	Confident	87.5	Confident	14 Å²	14	67.5 Å²	67.5	9%	0.091	35%	0.354	C	S	.	.			trans	-75.5	122.1	-177	-12.5	30.1	0	0	0	110.6	L45 L60 L65 S71 A72	L45-P69 HydrophobicContact CD1-CB 4.04Å; L45-P69 HydrophobicContact CD1-CG 3.7Å; L45-P69 HydrophobicContact CD2-CB 3.33Å; L45-P69 HydrophobicContact CD2-CG 3.65Å; L45-P69 HydrophobicContact CG-CB 4.27Å; L45-P69 HydrophobicContact CG-CG 4.12Å; L60-P69 HydrophobicContact CD1-CG 3.8Å; L65-P69 HydrophobicContact CD1-CG 4.33Å; P69-S71 PolarHBondContact O-N 3.5Å; P69-S71 VanDerWaalsContact O-N 3.15Å; P69-A72 WeakPolarHBondContact O-CB 3.15Å; P69-A72 PolarHBondContact O-N 3.17Å
70	R	85	Confident	87.3	Confident	199 Å²	199	63.3 Å²	63.3	75%	0.751	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-63.6	-22.8	-177.6	-58.4	-178.5	-167.2	179.6	3.5	113.3	E67 F68 A72 A73	E67-R70 IonicContact OE2-CZ 3.16Å; E67-R70 IonicContact OE2-NE 2.74Å; E67-R70 IonicContact OE2-NH2 2.75Å; E67-R70 PolarHBondContact OE2-NH2 3.34Å; F68-R70 PolarHBondContact O-N 3.41Å; R70-A72 PolarHBondContact O-N 3.06Å; R70-A73 PolarHBondContact O-N 3.37Å
71	S	82.4	Confident	87.2	Confident	30 Å²	30	64.1 Å²	64.1	21%	0.21	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-69	-12.4	171.3	51.8	0	0	0	0	113.9	D46 P69 A73 N74 H75	D46-S71 WeakPolarHBondContact OD1-CB 3.4Å; D46-S71 PolarHBondContact OD1-OG 3.26Å; P69-S71 PolarHBondContact O-N 3.5Å; P69-S71 VanDerWaalsContact O-N 3.15Å; S71-A73 PolarHBondContact O-N 3.41Å; S71-N74 WeakPolarHBondContact O-CB 3.48Å; S71-N74 PolarHBondContact O-N 3.34Å; S71-H75 PolarHBondContact O-CE1 3.38Å; S71-H75 PolarHBondContact O-ND1 3.1Å
72	A	83.6	Confident	87.1	Confident	8 Å²	8	68.7 Å²	68.7	7%	0.066	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-61	-29.1	171.4	0	0	0	0	0	112.3	L49 F68 P69 R70 N74 H75 L77	L49-A72 HydrophobicContact CD1-CB 4.15Å; L49-A72 HydrophobicContact CD2-CB 3.79Å; F68-A72 HydrophobicContact CD1-CB 3.98Å; F68-A72 HydrophobicContact CE1-CB 3.42Å; F68-A72 VanDerWaalsContact CE1-CB 3.42Å; F68-A72 HydrophobicContact CZ-CB 4.21Å; P69-A72 WeakPolarHBondContact O-CB 3.15Å; P69-A72 PolarHBondContact O-N 3.17Å; R70-A72 PolarHBondContact O-N 3.06Å; A72-N74 PolarHBondContact O-N 3.2Å; A72-H75 PolarHBondContact O-N 3.33Å; A72-H75 VanDerWaalsContact O-N 3.11Å; A72-H75 VanDerWaalsContact O-O 3.07Å; A72-L77 HydrophobicContact CB-CD1 4.15Å
73	A	80.7	Confident	87.3	Confident	93 Å²	93	66.9 Å²	66.9	77%	0.769	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-65.4	-15.1	174.3	0	0	0	0	0	113.9	R70 S71	R70-A73 PolarHBondContact O-N 3.37Å; S71-A73 PolarHBondContact O-N 3.41Å
74	N	82	Confident	87.5	Confident	136 Å²	136	65.4 Å²	65.4	73%	0.727	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-89.3	-3.1	176.1	-58.3	-11.2	0	0	0	113	S71 A72	S71-N74 WeakPolarHBondContact O-CB 3.48Å; S71-N74 PolarHBondContact O-N 3.34Å; A72-N74 PolarHBondContact O-N 3.2Å
75	H	81.9	Confident	87.8	Confident	46 Å²	46	60.1 Å²	60.1	21%	0.213	30%	0.304	C	S	.	.	S	Bend	trans	-123.2	133.3	-174.5	-59.3	82.2	0	0	0	109.6	L49 S71 A72 L77	L49-H75 HydrophobicContact CB-CB 4.33Å; S71-H75 PolarHBondContact O-CE1 3.38Å; S71-H75 PolarHBondContact O-ND1 3.1Å; A72-H75 PolarHBondContact O-N 3.33Å; A72-H75 VanDerWaalsContact O-N 3.11Å; A72-H75 VanDerWaalsContact O-O 3.07Å; H75-L77 HydrophobicContact CB-CD2 4.5Å; H75-L77 HydrophobicContact CB-CG 4.29Å; H75-L77 PolarHBondContact O-N 3.47Å
76	D	81.6	Confident	88	Confident	109 Å²	109	58.7 Å²	58.7	58%	0.583	30%	0.297	S	S	*	.			trans	-73.4	112.9	171.2	-172.4	-2.8	0	0	0	109.9	S53 T78	S53-D76 WeakPolarHBondContact CA-O 3.37Å; S53-D76 WeakPolarHBondContact CB-O 3.29Å; D76-T78 WeakPolarHBondContact OD1-CB 3.34Å; D76-T78 WeakPolarHBondContact OD1-CG2 3.44Å; D76-T78 PolarHBondContact OD1-N 3.28Å; D76-T78 PolarHBondContact OD1-OG1 3.41Å
77	L	85.9	Confident	88.2	Confident	9 Å²	9	58.6 Å²	58.6	5%	0.047	29%	0.292	C	S	.	.			trans	-117.8	9.2	179.8	-62.9	177.1	0	0	0	112.2	L49 A52 A72 H75 D79 T80 F100	L49-L77 HydrophobicContact CD2-CD1 3.97Å; A52-L77 HydrophobicContact CB-CD2 3.71Å; A72-L77 HydrophobicContact CB-CD1 4.15Å; H75-L77 HydrophobicContact CB-CD2 4.5Å; H75-L77 HydrophobicContact CB-CG 4.29Å; H75-L77 PolarHBondContact O-N 3.47Å; L77-D79 PolarHBondContact O-N 3.42Å; L77-T80 WeakPolarHBondContact O-CB 3.46Å; L77-T80 PolarHBondContact O-N 3.45Å; L77-T80 PolarHBondContact O-OG1 2.75Å; L77-F100 HydrophobicContact CB-CD1 4.18Å; L77-F100 HydrophobicContact CB-CE1 3.49Å; L77-F100 VanDerWaalsContact CB-CE1 3.49Å; L77-F100 HydrophobicContact CB-CZ 3.95Å; L77-F100 HydrophobicContact CD1-CE1 4.32Å; L77-F100 HydrophobicContact CD1-CZ 4.05Å; L77-F100 VanDerWaalsContact O-CD1 3.3Å; L77-F100 WeakPolarHBondContact O-CD1 3.12Å
78	T	83	Confident	88.5	Confident	78 Å²	78	53.6 Å²	53.6	48%	0.479	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.1	-178.9	56.5	0	0	0	0	112.9	D76 T80 S102	D76-T78 WeakPolarHBondContact OD1-CB 3.34Å; D76-T78 WeakPolarHBondContact OD1-CG2 3.44Å; D76-T78 PolarHBondContact OD1-N 3.28Å; D76-T78 PolarHBondContact OD1-OG1 3.41Å; T78-T80 VanDerWaalsContact C-N 3.28Å; T78-T80 PolarHBondContact O-N 3.39Å; T78-S102 PolarHBondContact O-OG 3.29Å
79	D	83.3	Confident	88.7	Confident	32 Å²	32	59.9 Å²	59.9	17%	0.171	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	6.3	177.7	-114.4	27.9	0	0	0	114.3	L77 V81 T621 M622 A623	L77-D79 PolarHBondContact O-N 3.42Å; D79-V81 PolarHBondContact O-N 3.23Å; D79-T621 WeakPolarHBondContact OD1-CB 3.24Å; D79-T621 VanDerWaalsContact OD1-CG2 3.27Å; D79-T621 WeakPolarHBondContact OD1-CG2 3.09Å; D79-T621 WeakPolarHBondContact OD2-CB 3.42Å; D79-M622 VanDerWaalsContact OD2-CA 3.27Å; D79-M622 WeakPolarHBondContact OD2-CA 3.36Å; D79-M622 WeakPolarHBondContact OD2-CB 3.45Å; D79-M622 PolarHBondContact OD2-N 2.93Å; D79-A623 PolarHBondContact OD2-N 3.06Å
80	T	89.7	Confident	89.1	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.006	29%	0.289	C	S	.	.			trans	-66.7	113.7	179.9	-58.3	0	0	0	0	111	G56 L58 L77 T78 R82 A83 F100 S102 L103	G56-T80 CarbonylContact O-C 3.58Å; L58-T80 HydrophobicContact CB-CG2 3.96Å; L77-T80 WeakPolarHBondContact O-CB 3.46Å; L77-T80 PolarHBondContact O-N 3.45Å; L77-T80 PolarHBondContact O-OG1 2.75Å; T78-T80 VanDerWaalsContact C-N 3.28Å; T78-T80 PolarHBondContact O-N 3.39Å; T80-R82 VanDerWaalsContact CG2-O 3.28Å; T80-R82 WeakPolarHBondContact CG2-O 3.29Å; T80-A83 HydrophobicContact CG2-CB 4.45Å; T80-F100 HydrophobicContact CG2-CD2 4.15Å; T80-F100 HydrophobicContact CG2-CE2 4.49Å; T80-S102 CarbonylContact O-C 3.59Å; T80-L103 HydrophobicContact CG2-CD1 3.94Å; T80-L103 VanDerWaalsContact O-CA 3.26Å; T80-L103 WeakPolarHBondContact O-CA 3.44Å; T80-L103 PolarHBondContact O-N 3.19Å
81	V	90.9	Very high	89.5	Confident	16 Å²	16	52.8 Å²	52.8	10%	0.097	27%	0.273	C	S	.	.			trans	-91.1	-26.9	177.7	-177	0	0	0	0	111.6	G56 D79 S102 E104 Y105 A623	G56-V81 PolarHBondContact O-N 3.09Å; D79-V81 PolarHBondContact O-N 3.23Å; V81-S102 WeakPolarHBondContact CA-O 3.26Å; V81-E104 HydrophobicContact CG1-CB 3.89Å; V81-E104 HydrophobicContact CG1-CG 3.77Å; V81-E104 WeakPolarHBondContact CG1-OE2 3.44Å; V81-E104 PolarHBondContact O-N 2.95Å; V81-Y105 PolarHBondContact O-N 3.1Å; V81-A623 HydrophobicContact CG2-CB 4.2Å
82	R	93.2	Very high	90	Very high	132 Å²	132	57.2 Å²	57.2	50%	0.498	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.3	179.1	-53.7	-170.4	175.7	179.8	-3.1	111.5	G56 C57 L58 T80 Y105	G56-R82 PolarHBondContact O-N 3.25Å; G56-R82 VanDerWaalsContact O-N 3.13Å; C57-R82 CarbonylContact C-O 3.37Å; C57-R82 WeakPolarHBondContact CA-O 3.4Å; L58-R82 PolarHBondContact N-O 3.01Å; T80-R82 VanDerWaalsContact CG2-O 3.28Å; T80-R82 WeakPolarHBondContact CG2-O 3.29Å; R82-Y105 WeakPolarHBondContact CA-O 3.28Å; R82-Y105 HydrophobicContact CB-CD1 4.49Å
83	A	96.1	Very high	90.5	Very high	1 Å²	1	57 Å²	57	1%	0.008	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	122.7	175.4	0	0	0	0	0	111.2	L58 T80 L103 Y105 L106 N107	L58-A83 HydrophobicContact CB-CB 4.33Å; L58-A83 CarbonylContact O-C 3.33Å; L58-A83 WeakPolarHBondContact O-CA 3.36Å; T80-A83 HydrophobicContact CG2-CB 4.45Å; A83-L103 HydrophobicContact CB-CD1 3.73Å; A83-L103 HydrophobicContact CB-CD2 4.47Å; A83-Y105 PolarHBondContact N-O 2.93Å; A83-L106 HydrophobicContact CB-CD1 3.99Å; A83-N107 PolarHBondContact O-N 2.88Å
84	D	95.9	Very high	91	Very high	37 Å²	37	53.2 Å²	53.2	20%	0.198	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	110.4	169.3	-163.7	-41.9	0	0	0	110.2	L58 L60 S61 S86 N107	L58-D84 PolarHBondContact O-N 3.22Å; L60-D84 PolarHBondContact N-O 2.98Å; S61-D84 WeakPolarHBondContact CB-OD1 3.35Å; S61-D84 PolarHBondContact N-O 3.22Å; D84-S86 WeakPolarHBondContact OD1-CB 3.24Å; D84-S86 PolarHBondContact OD1-N 3.44Å; D84-S86 PolarHBondContact OD1-OG 3.48Å; D84-N107 HydrophobicContact CB-CB 4.42Å; D84-N107 VanDerWaalsContact CG-ND2 3.34Å; D84-N107 PolarHBondContact OD1-ND2 3.05Å; D84-N107 PolarHBondContact OD2-ND2 3.28Å
85	L	96	Very high	91.4	Very high	2 Å²	2	52 Å²	52	1%	0.01	25%	0.249	C	C	.	.			trans	-115.2	16.4	178.4	-53.6	-179.3	0	0	0	111	L58 L60 F68 N88 L90 V97 N107 L108 N111	L58-L85 HydrophobicContact CD2-CD2 4.18Å; L60-L85 HydrophobicContact CB-CD2 3.82Å; L60-L85 HydrophobicContact CD1-CD2 3.86Å; L60-L85 HydrophobicContact CG-CD2 4.08Å; F68-L85 HydrophobicContact CE2-CD1 4.39Å; F68-L85 HydrophobicContact CE2-CD2 4.2Å; L85-N88 PolarHBondContact O-ND2 2.97Å; L85-L90 HydrophobicContact CB-CD1 4.27Å; L85-V97 HydrophobicContact CD1-CG1 4.4Å; L85-V97 HydrophobicContact CD1-CG2 3.69Å; L85-N107 PolarHBondContact N-O 3.38Å; L85-L108 HydrophobicContact CB-CD2 4.09Å; L85-L108 HydrophobicContact CD1-CD2 4.13Å; L85-N111 PolarHBondContact O-ND2 3.21Å
86	S	96.4	Very high	91.8	Very high	4 Å²	4	54.3 Å²	54.3	3%	0.028	26%	0.26	C	S	.	.			trans	-66.6	164.1	-173.2	65.1	0	0	0	0	114	S61 G62 D84 N88 N107 Y109	S61-S86 CarbonylContact C-O 3.28Å; S61-S86 VanDerWaalsContact CA-O 3.24Å; S61-S86 WeakPolarHBondContact CA-O 3.24Å; S61-S86 PolarHBondContact OG-O 3.05Å; S61-S86 PolarHBondContact OG-OG 2.92Å; G62-S86 PolarHBondContact N-O 3.47Å; D84-S86 WeakPolarHBondContact OD1-CB 3.24Å; D84-S86 PolarHBondContact OD1-N 3.44Å; D84-S86 PolarHBondContact OD1-OG 3.48Å; S86-N88 PolarHBondContact O-N 3.16Å; S86-N88 VanDerWaalsContact O-N 3.13Å; S86-N88 PolarHBondContact O-ND2 3.47Å; S86-N107 PolarHBondContact N-O 3.09Å; S86-Y109 CarbonylContact C-O 3.56Å; S86-Y109 WeakPolarHBondContact CA-O 3.12Å; S86-Y109 WeakPolarHBondContact CB-O 3.06Å
87	R	95.9	Very high	92.3	Very high	151 Å²	151	49.1 Å²	49.1	57%	0.57	23%	0.232	S	C	*	.	S	Bend	trans	57.7	29	174.6	-55.2	174.1	178.8	179	0.8	113.5	G62 Y109 Q110	G62-R87 WeakPolarHBondContact CA-O 3.45Å; R87-Y109 HydrophobicContact CG-CD1 4.23Å; R87-Y109 HydrophobicContact CG-CE1 4.45Å; R87-Y109 PolarHBondContact N-O 3.31Å; R87-Q110 CarbonylContact C-O 3.54Å; R87-Q110 WeakPolarHBondContact CA-O 3.39Å; R87-Q110 HydrophobicContact CG-CB 4.38Å; R87-Q110 PolarHBondContact N-O 2.96Å
88	N	95.9	Very high	92.5	Very high	10 Å²	10	48.8 Å²	48.8	5%	0.053	23%	0.23	C	C	.	.	S	Bend	trans	-103.2	-159.4	175.9	-78.3	-58.2	0	0	0	110.2	L60 R63 K64 L65 L85 S86 L90 Q110 N111	L60-N88 PolarHBondContact O-ND2 3.4Å; R63-N88 VanDerWaalsContact C-OD1 3.29Å; R63-N88 WeakPolarHBondContact CA-OD1 3.38Å; R63-N88 PolarHBondContact N-OD1 2.92Å; R63-N88 VanDerWaalsContact N-OD1 3.08Å; K64-N88 PolarHBondContact N-OD1 3.08Å; L65-N88 HydrophobicContact CB-CB 4.27Å; L65-N88 PolarHBondContact N-OD1 3.47Å; L85-N88 PolarHBondContact O-ND2 2.97Å; S86-N88 PolarHBondContact O-N 3.16Å; S86-N88 VanDerWaalsContact O-N 3.13Å; S86-N88 PolarHBondContact O-ND2 3.47Å; N88-L90 HydrophobicContact CB-CG 4.26Å; N88-Q110 PolarHBondContact N-O 3.46Å; N88-N111 WeakPolarHBondContact CA-OD1 3.17Å; N88-N111 WeakPolarHBondContact CB-OD1 3.38Å
89	R	95.7	Very high	92.8	Very high	150 Å²	150	50.2 Å²	50.2	57%	0.566	23%	0.234	S	C	*	.			trans	-132.7	25.6	-176.9	-61.3	178.1	170.9	-176.2	-7.6	111.2	L65 K66 S91 N111	L65-R89 CarbonylContact O-C 3.19Å; L65-R89 VanDerWaalsContact O-C 3.23Å; L65-R89 VanDerWaalsContact O-CA 3.24Å; L65-R89 WeakPolarHBondContact O-CA 3.42Å; L65-R89 WeakPolarHBondContact O-CB 3.3Å; L65-R89 PolarHBondContact O-N 3.1Å; K66-R89 HydrophobicContact CG-CB 4.5Å; R89-S91 PolarHBondContact O-N 3.38Å; R89-N111 PolarHBondContact N-OD1 2.85Å
90	L	95.1	Very high	93.2	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	23%	0.228	C	C	.	.			trans	-62.9	129.4	-179.9	-57.1	177.1	0	0	0	109.6	L65 K66 L85 N88 N111 C112 L113	L65-L90 HydrophobicContact CB-CD2 4.33Å; L65-L90 PolarHBondContact O-N 3.21Å; K66-L90 WeakPolarHBondContact O-CD2 3.15Å; L85-L90 HydrophobicContact CB-CD1 4.27Å; N88-L90 HydrophobicContact CB-CG 4.26Å; L90-N111 WeakPolarHBondContact CB-OD1 3.19Å; L90-N111 WeakPolarHBondContact CG-OD1 3.45Å; L90-N111 PolarHBondContact N-OD1 3.08Å; L90-N111 VanDerWaalsContact N-OD1 3.11Å; L90-C112 CarbonylContact O-C 3.41Å; L90-C112 VanDerWaalsContact O-CA 3.23Å; L90-C112 WeakPolarHBondContact O-CA 3.5Å; L90-C112 WeakPolarHBondContact O-CB 3.48Å; L90-C112 PolarHBondContact O-N 2.76Å; L90-L113 HydrophobicContact CB-CD2 4.08Å; L90-L113 PolarHBondContact O-N 2.92Å; L90-L113 VanDerWaalsContact O-N 3.16Å
91	S	93.8	Very high	93.1	Very high	60 Å²	60	53.4 Å²	53.4	42%	0.42	25%	0.254	S	S	.	.	S	Bend	trans	-86.3	-21.1	177.7	42.3	0	0	0	0	113.9	R89 L113 R114	R89-S91 PolarHBondContact O-N 3.38Å; S91-L113 WeakPolarHBondContact O-CA 3.2Å; S91-R114 PolarHBondContact O-N 2.84Å
92	E	94.4	Very high	93	Very high	122 Å²	122	53.9 Å²	53.9	57%	0.57	26%	0.258	S	S	*	.	S	Bend	trans	-149.8	162	-180	63.7	-163.7	172.7	0	0	109	L113	E92-L113 VanDerWaalsContact O-CD2 3.3Å; E92-L113 WeakPolarHBondContact O-CD2 3.41Å
93	L	93.9	Very high	93.1	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	24%	0.235	C	C	.	.			trans	-78.7	125	174.7	175.3	69.1	0	0	0	108.7	V97 L106 L108 L116 P117 L120	L93-V97 HydrophobicContact CD1-CB 4.15Å; L93-V97 HydrophobicContact CD1-CG1 4.16Å; L93-V97 HydrophobicContact CD1-CG2 4.35Å; L93-L106 HydrophobicContact CD1-CD2 4.37Å; L93-L106 HydrophobicContact CD2-CD2 4.4Å; L93-L108 HydrophobicContact CD1-CD1 3.87Å; L93-L108 HydrophobicContact CD1-CD2 3.63Å; L93-L108 HydrophobicContact CD1-CG 4.36Å; L93-L116 HydrophobicContact CB-CD2 3.96Å; L93-L116 HydrophobicContact CD2-CD2 4.45Å; L93-P117 HydrophobicContact CB-CG 4.28Å; L93-P117 HydrophobicContact CD2-CG 4.44Å; L93-L120 HydrophobicContact CD2-CD1 4.36Å; L93-L120 HydrophobicContact CD2-CD2 3.42Å; L93-L120 VanDerWaalsContact CD2-CD2 3.42Å; L93-L120 HydrophobicContact CD2-CG 3.86Å
94	P	90.8	Very high	93	Very high	14 Å²	14	50.4 Å²	50.4	9%	0.091	25%	0.248	C	C	.	.			trans	-67.9	141.1	-178.1	-19.4	32.7	0	0	0	112.8	F68 E96 V97	F68-P94 HydrophobicContact CB-CB 3.58Å; F68-P94 HydrophobicContact CB-CG 3.66Å; F68-P94 HydrophobicContact CD2-CB 4.26Å; F68-P94 HydrophobicContact CD2-CG 4.02Å; F68-P94 HydrophobicContact CG-CB 3.98Å; F68-P94 HydrophobicContact CG-CG 4.11Å; P94-E96 WeakPolarHBondContact CB-OE2 3.33Å; P94-E96 PolarHBondContact O-N 2.8Å; P94-V97 HydrophobicContact CB-CG2 4.26Å; P94-V97 HydrophobicContact CG-CG2 4.41Å; P94-V97 WeakPolarHBondContact O-CB 3.49Å; P94-V97 PolarHBondContact O-N 3.47Å; P94-V97 VanDerWaalsContact O-N 3.09Å
95	L	90.1	Very high	93	Very high	111 Å²	111	52.6 Å²	52.6	58%	0.581	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.7	-176.7	-64.1	176.2	0	0	0	112.7	V97 C98 P117	L95-V97 VanDerWaalsContact C-N 3.27Å; L95-V97 PolarHBondContact O-N 2.85Å; L95-C98 VanDerWaalsContact O-CB 3.3Å; L95-C98 WeakPolarHBondContact O-CB 3.49Å; L95-C98 PolarHBondContact O-N 2.99Å; L95-C98 VanDerWaalsContact O-N 3.13Å; L95-P117 HydrophobicContact CD2-CB 3.68Å; L95-P117 HydrophobicContact CD2-CG 4.04Å
96	E	90.2	Very high	93.1	Very high	93 Å²	93	52.5 Å²	52.5	44%	0.435	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-35.3	174.5	-58	83.2	173.4	0	0	111.6	F68 P94 C98 L99 F100	F68-E96 HydrophobicContact CD1-CB 3.68Å; F68-E96 HydrophobicContact CD1-CG 3.92Å; F68-E96 HydrophobicContact CE1-CB 3.71Å; F68-E96 HydrophobicContact CE1-CG 4.34Å; P94-E96 WeakPolarHBondContact CB-OE2 3.33Å; P94-E96 PolarHBondContact O-N 2.8Å; E96-C98 VanDerWaalsContact C-N 3.25Å; E96-C98 PolarHBondContact O-N 3.4Å; E96-L99 WeakPolarHBondContact O-CB 3.47Å; E96-L99 PolarHBondContact O-N 3.17Å; E96-L99 VanDerWaalsContact O-N 3.1Å; E96-F100 WeakPolarHBondContact O-CE1 3.49Å
97	V	91.7	Very high	93.2	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-67.7	-31.2	176.9	-173.1	0	0	0	0	110.6	F68 L85 L93 P94 L95 L99 F100 L103 L106	F68-V97 HydrophobicContact CD2-CG2 4.2Å; F68-V97 HydrophobicContact CE2-CG2 3.86Å; F68-V97 HydrophobicContact CZ-CG2 4.24Å; L85-V97 HydrophobicContact CD1-CG1 4.4Å; L85-V97 HydrophobicContact CD1-CG2 3.69Å; L93-V97 HydrophobicContact CD1-CB 4.15Å; L93-V97 HydrophobicContact CD1-CG1 4.16Å; L93-V97 HydrophobicContact CD1-CG2 4.35Å; P94-V97 HydrophobicContact CB-CG2 4.26Å; P94-V97 HydrophobicContact CG-CG2 4.41Å; P94-V97 WeakPolarHBondContact O-CB 3.49Å; P94-V97 PolarHBondContact O-N 3.47Å; P94-V97 VanDerWaalsContact O-N 3.09Å; L95-V97 VanDerWaalsContact C-N 3.27Å; L95-V97 PolarHBondContact O-N 2.85Å; V97-L99 PolarHBondContact O-N 2.67Å; V97-F100 HydrophobicContact CB-CE2 4.34Å; V97-F100 HydrophobicContact CG1-CD2 4.07Å; V97-F100 HydrophobicContact CG1-CE2 4.18Å; V97-F100 HydrophobicContact CG2-CE2 4.41Å; V97-F100 PolarHBondContact O-N 3.04Å; V97-L103 HydrophobicContact CG1-CD2 4.33Å; V97-L106 HydrophobicContact CG1-CD1 4.01Å; V97-L106 HydrophobicContact CG1-CD2 4.25Å
98	C	90.9	Very high	93.2	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.014	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-71.9	-1.7	174	-61.7	0	0	0	0	113.9	L95 E96 G119 N122	L95-C98 VanDerWaalsContact O-CB 3.3Å; L95-C98 WeakPolarHBondContact O-CB 3.49Å; L95-C98 PolarHBondContact O-N 2.99Å; L95-C98 VanDerWaalsContact O-N 3.13Å; E96-C98 VanDerWaalsContact C-N 3.25Å; E96-C98 PolarHBondContact O-N 3.4Å; C98-G119 WeakPolarHBondContact CB-O 3.46Å; C98-N122 WeakPolarHBondContact O-CB 3.43Å; C98-N122 PolarHBondContact O-ND2 3.01Å
99	L	88.9	Confident	93.3	Very high	108 Å²	108	48 Å²	48	57%	0.565	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-94.7	-6.6	172.6	-56.5	178.3	0	0	0	112.9	E96 V97 V101	E96-L99 WeakPolarHBondContact O-CB 3.47Å; E96-L99 PolarHBondContact O-N 3.17Å; E96-L99 VanDerWaalsContact O-N 3.1Å; V97-L99 PolarHBondContact O-N 2.67Å; L99-V101 VanDerWaalsContact C-N 3.28Å; L99-V101 PolarHBondContact O-N 2.88Å
100	F	91.4	Very high	93.4	Very high	10 Å²	10	44.9 Å²	44.9	4%	0.044	23%	0.228	C	C	.	.			trans	-80.4	72.7	179.5	-54.9	-20.6	0	0	0	110.6	L58 F68 L77 T80 E96 V97 S102 L103 L123	L58-F100 HydrophobicContact CD2-CE2 3.86Å; L58-F100 HydrophobicContact CD2-CZ 4.22Å; F68-F100 HydrophobicContact CZ-CZ 4.16Å; L77-F100 HydrophobicContact CB-CD1 4.18Å; L77-F100 HydrophobicContact CB-CE1 3.49Å; L77-F100 VanDerWaalsContact CB-CE1 3.49Å; L77-F100 HydrophobicContact CB-CZ 3.95Å; L77-F100 HydrophobicContact CD1-CE1 4.32Å; L77-F100 HydrophobicContact CD1-CZ 4.05Å; L77-F100 VanDerWaalsContact O-CD1 3.3Å; L77-F100 WeakPolarHBondContact O-CD1 3.12Å; T80-F100 HydrophobicContact CG2-CD2 4.15Å; T80-F100 HydrophobicContact CG2-CE2 4.49Å; E96-F100 WeakPolarHBondContact O-CE1 3.49Å; V97-F100 HydrophobicContact CB-CE2 4.34Å; V97-F100 HydrophobicContact CG1-CD2 4.07Å; V97-F100 HydrophobicContact CG1-CE2 4.18Å; V97-F100 HydrophobicContact CG2-CE2 4.41Å; V97-F100 PolarHBondContact O-N 3.04Å; F100-S102 PolarHBondContact O-N 3.26Å; F100-L103 HydrophobicContact CB-CB 3.91Å; F100-L103 HydrophobicContact CB-CD2 4.45Å; F100-L103 HydrophobicContact CD2-CD1 4.48Å; F100-L103 WeakPolarHBondContact O-CB 3.28Å; F100-L103 PolarHBondContact O-N 3.11Å; F100-L123 VanDerWaalsContact O-CD2 3.26Å; F100-L123 WeakPolarHBondContact O-CD2 3.46Å
101	V	88.6	Confident	93.5	Very high	91 Å²	91	45.2 Å²	45.2	55%	0.552	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-28.8	-176.4	-174.7	0	0	0	0	112.5	L99 L103 A125	L99-V101 VanDerWaalsContact C-N 3.28Å; L99-V101 PolarHBondContact O-N 2.88Å; V101-L103 VanDerWaalsContact C-N 3.31Å; V101-L103 PolarHBondContact O-N 3.21Å; V101-A125 WeakPolarHBondContact O-CB 3.27Å
102	S	89.2	Confident	93.6	Very high	26 Å²	26	44.4 Å²	44.4	18%	0.182	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-0.2	177.5	-61.5	0	0	0	0	115.3	T78 T80 V81 F100 E104	T78-S102 PolarHBondContact O-OG 3.29Å; T80-S102 CarbonylContact O-C 3.59Å; V81-S102 WeakPolarHBondContact CA-O 3.26Å; F100-S102 PolarHBondContact O-N 3.26Å; S102-E104 PolarHBondContact O-N 3.46Å
103	L	94.4	Very high	93.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.			trans	-73.8	107.7	-167.8	-168.7	72.5	0	0	0	112.8	T80 A83 V97 F100 V101 L106 L123 A125 L126	T80-L103 HydrophobicContact CG2-CD1 3.94Å; T80-L103 VanDerWaalsContact O-CA 3.26Å; T80-L103 WeakPolarHBondContact O-CA 3.44Å; T80-L103 PolarHBondContact O-N 3.19Å; A83-L103 HydrophobicContact CB-CD1 3.73Å; A83-L103 HydrophobicContact CB-CD2 4.47Å; V97-L103 HydrophobicContact CG1-CD2 4.33Å; F100-L103 HydrophobicContact CB-CB 3.91Å; F100-L103 HydrophobicContact CB-CD2 4.45Å; F100-L103 HydrophobicContact CD2-CD1 4.48Å; F100-L103 WeakPolarHBondContact O-CB 3.28Å; F100-L103 PolarHBondContact O-N 3.11Å; V101-L103 VanDerWaalsContact C-N 3.31Å; V101-L103 PolarHBondContact O-N 3.21Å; L103-L106 HydrophobicContact CD2-CB 3.97Å; L103-L106 HydrophobicContact CD2-CD1 4.3Å; L103-L106 HydrophobicContact CD2-CD2 4.18Å; L103-L106 HydrophobicContact CD2-CG 4.37Å; L103-L123 HydrophobicContact CB-CD2 4.36Å; L103-L123 HydrophobicContact CD2-CD1 4.17Å; L103-L123 HydrophobicContact CD2-CD2 4.41Å; L103-A125 CarbonylContact O-C 3.58Å; L103-A125 VanDerWaalsContact O-C 3.28Å; L103-L126 HydrophobicContact CD2-CD1 4.38Å; L103-L126 HydrophobicContact CG-CD1 4.29Å; L103-L126 WeakPolarHBondContact O-CA 3.46Å; L103-L126 PolarHBondContact O-N 3.41Å; L103-L126 VanDerWaalsContact O-N 3.15Å
104	E	94.2	Very high	93.8	Very high	60 Å²	60	46.1 Å²	46.1	28%	0.28	23%	0.225	S	C	.	.			trans	-86.3	-26.3	178.2	-68.1	170.1	-163.7	0	0	112.9	V81 S102 A125 T127 H128 K624	V81-E104 HydrophobicContact CG1-CB 3.89Å; V81-E104 HydrophobicContact CG1-CG 3.77Å; V81-E104 WeakPolarHBondContact CG1-OE2 3.44Å; V81-E104 PolarHBondContact O-N 2.95Å; S102-E104 PolarHBondContact O-N 3.46Å; E104-A125 WeakPolarHBondContact CA-O 3.48Å; E104-A125 HydrophobicContact CG-CB 4.43Å; E104-T127 PolarHBondContact O-N 2.82Å; E104-T127 PolarHBondContact O-OG1 3.05Å; E104-H128 PolarHBondContact O-N 2.92Å; E104-K624 WeakPolarHBondContact OE1-CE 3.21Å; E104-K624 IonicContact OE1-NZ 3.92Å; E104-K624 PolarHBondContact OE1-NZ 3.38Å
105	Y	96.6	Very high	93.9	Very high	83 Å²	83	48.3 Å²	48.3	33%	0.325	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	127	-174.8	178.9	-84.3	0	0	0	112.7	V81 R82 A83 N107 H128	V81-Y105 PolarHBondContact O-N 3.1Å; R82-Y105 WeakPolarHBondContact CA-O 3.28Å; R82-Y105 HydrophobicContact CB-CD1 4.49Å; A83-Y105 PolarHBondContact N-O 2.93Å; Y105-N107 HydrophobicContact CE1-CB 3.67Å; Y105-H128 HydrophobicContact CD2-CB 3.5Å; Y105-H128 VanDerWaalsContact CD2-CB 3.5Å; Y105-H128 HydrophobicContact CE2-CB 4.14Å; Y105-H128 HydrophobicContact CG-CB 4.3Å
106	L	97.8	Very high	94.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	116.2	178	-179.9	52.7	0	0	0	111.8	A83 L93 V97 L103 L108 L123 L126 H128 L129 N130	A83-L106 HydrophobicContact CB-CD1 3.99Å; L93-L106 HydrophobicContact CD1-CD2 4.37Å; L93-L106 HydrophobicContact CD2-CD2 4.4Å; V97-L106 HydrophobicContact CG1-CD1 4.01Å; V97-L106 HydrophobicContact CG1-CD2 4.25Å; L103-L106 HydrophobicContact CD2-CB 3.97Å; L103-L106 HydrophobicContact CD2-CD1 4.3Å; L103-L106 HydrophobicContact CD2-CD2 4.18Å; L103-L106 HydrophobicContact CD2-CG 4.37Å; L106-L108 HydrophobicContact CD1-CD1 4.34Å; L106-L108 HydrophobicContact CD1-CD2 4.33Å; L106-L108 HydrophobicContact CD1-CG 4.08Å; L106-L108 HydrophobicContact CD2-CD1 3.96Å; L106-L108 HydrophobicContact CG-CD1 3.89Å; L106-L108 HydrophobicContact CG-CG 4.07Å; L106-L123 HydrophobicContact CD2-CD1 4.32Å; L106-L126 HydrophobicContact CB-CD1 3.76Å; L106-L126 HydrophobicContact CB-CD2 4.47Å; L106-H128 PolarHBondContact N-O 2.97Å; L106-L129 HydrophobicContact CB-CD1 4.13Å; L106-L129 HydrophobicContact CD2-CD1 4.02Å; L106-L129 HydrophobicContact CG-CD1 4.05Å; L106-N130 PolarHBondContact O-N 2.99Å
107	N	97.6	Very high	94.3	Very high	14 Å²	14	40.5 Å²	40.5	8%	0.075	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	114.4	176.1	-177.5	21	0	0	0	112.1	A83 D84 L85 S86 Y105 Y109 N130	A83-N107 PolarHBondContact O-N 2.88Å; D84-N107 HydrophobicContact CB-CB 4.42Å; D84-N107 VanDerWaalsContact CG-ND2 3.34Å; D84-N107 PolarHBondContact OD1-ND2 3.05Å; D84-N107 PolarHBondContact OD2-ND2 3.28Å; L85-N107 PolarHBondContact N-O 3.38Å; S86-N107 PolarHBondContact N-O 3.09Å; Y105-N107 HydrophobicContact CE1-CB 3.67Å; N107-Y109 WeakPolarHBondContact OD1-CB 3.19Å; N107-Y109 PolarHBondContact OD1-N 2.86Å; N107-Y109 VanDerWaalsContact OD1-N 3.08Å; N107-N130 PolarHBondContact OD1-ND2 3.35Å
108	L	97.1	Very high	94.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.233	C	C	.	.			trans	-116	12.5	179.1	-64.4	155.8	0	0	0	112.1	L85 L93 L106 Q110 N111 L113 L129 N130 L131 N134	L85-L108 HydrophobicContact CB-CD2 4.09Å; L85-L108 HydrophobicContact CD1-CD2 4.13Å; L93-L108 HydrophobicContact CD1-CD1 3.87Å; L93-L108 HydrophobicContact CD1-CD2 3.63Å; L93-L108 HydrophobicContact CD1-CG 4.36Å; L106-L108 HydrophobicContact CD1-CD1 4.34Å; L106-L108 HydrophobicContact CD1-CD2 4.33Å; L106-L108 HydrophobicContact CD1-CG 4.08Å; L106-L108 HydrophobicContact CD2-CD1 3.96Å; L106-L108 HydrophobicContact CG-CD1 3.89Å; L106-L108 HydrophobicContact CG-CG 4.07Å; L108-Q110 PolarHBondContact O-N 2.89Å; L108-N111 PolarHBondContact O-ND2 3.07Å; L108-L113 HydrophobicContact CB-CD1 3.89Å; L108-L113 HydrophobicContact CD1-CD1 4.07Å; L108-L113 HydrophobicContact CD2-CD1 4.29Å; L108-L113 HydrophobicContact CG-CD1 4.31Å; L108-L129 HydrophobicContact CD1-CD1 4.16Å; L108-N130 WeakPolarHBondContact CA-O 3.14Å; L108-N130 WeakPolarHBondContact CB-O 3.08Å; L108-N130 PolarHBondContact N-O 2.74Å; L108-L131 HydrophobicContact CB-CD2 4.41Å; L108-L131 HydrophobicContact CD1-CD2 3.61Å; L108-N134 PolarHBondContact O-ND2 2.53Å; L108-N134 VanDerWaalsContact O-ND2 3.1Å
109	Y	97.6	Very high	94.2	Very high	55 Å²	55	47 Å²	47	22%	0.216	24%	0.244	C	C	.	.			trans	-45.8	135	-178	171.6	-99.6	0	0	0	113.2	S86 R87 N107 S132 R133	S86-Y109 CarbonylContact C-O 3.56Å; S86-Y109 WeakPolarHBondContact CA-O 3.12Å; S86-Y109 WeakPolarHBondContact CB-O 3.06Å; R87-Y109 HydrophobicContact CG-CD1 4.23Å; R87-Y109 HydrophobicContact CG-CE1 4.45Å; R87-Y109 PolarHBondContact N-O 3.31Å; N107-Y109 WeakPolarHBondContact OD1-CB 3.19Å; N107-Y109 PolarHBondContact OD1-N 2.86Å; N107-Y109 VanDerWaalsContact OD1-N 3.08Å; Y109-S132 CarbonylContact C-O 3.52Å; Y109-S132 WeakPolarHBondContact CA-O 3.39Å; Y109-S132 WeakPolarHBondContact CD2-OG 2.9Å; Y109-R133 HydrophobicContact CE2-CB 4.44Å; Y109-R133 HydrophobicContact CE2-CG 4.07Å; Y109-R133 PolarHBondContact OH-NH1 2.88Å
110	Q	96.7	Very high	94.5	Very high	85 Å²	85	41.9 Å²	41.9	40%	0.397	22%	0.217	S	C	.	.	S	Bend	trans	56.4	63.6	174.6	-167.1	177.8	-16	0	0	112.7	R87 N88 L108 S132 R133	R87-Q110 CarbonylContact C-O 3.54Å; R87-Q110 WeakPolarHBondContact CA-O 3.39Å; R87-Q110 HydrophobicContact CG-CB 4.38Å; R87-Q110 PolarHBondContact N-O 2.96Å; N88-Q110 PolarHBondContact N-O 3.46Å; L108-Q110 PolarHBondContact O-N 2.89Å; Q110-S132 PolarHBondContact N-O 2.86Å; Q110-R133 VanDerWaalsContact CA-O 3.24Å; Q110-R133 WeakPolarHBondContact CA-O 3.07Å; Q110-R133 HydrophobicContact CB-CB 4.22Å; Q110-R133 PolarHBondContact N-O 2.88Å
111	N	97.1	Very high	94.5	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.064	23%	0.233	C	C	.	.	S	Bend	trans	-120.9	-157.2	171.7	-92.6	-74.3	0	0	0	109.8	L85 N88 R89 L90 L108 L113 R133 N134	L85-N111 PolarHBondContact O-ND2 3.21Å; N88-N111 WeakPolarHBondContact CA-OD1 3.17Å; N88-N111 WeakPolarHBondContact CB-OD1 3.38Å; R89-N111 PolarHBondContact N-OD1 2.85Å; L90-N111 WeakPolarHBondContact CB-OD1 3.19Å; L90-N111 WeakPolarHBondContact CG-OD1 3.45Å; L90-N111 PolarHBondContact N-OD1 3.08Å; L90-N111 VanDerWaalsContact N-OD1 3.11Å; L108-N111 PolarHBondContact O-ND2 3.07Å; N111-L113 HydrophobicContact CB-CG 4.12Å; N111-R133 PolarHBondContact N-O 3.19Å; N111-N134 WeakPolarHBondContact CA-OD1 3.2Å; N111-N134 WeakPolarHBondContact CB-OD1 3.46Å; N111-N134 PolarHBondContact N-OD1 2.87Å; N111-N134 PolarHBondContact O-OD1 2.87Å
112	C	96.6	Very high	94.7	Very high	43 Å²	43	43.5 Å²	43.5	29%	0.291	23%	0.225	S	C	.	.			trans	-124.2	25.6	175.6	-71.4	0	0	0	0	112.3	L90 R114 N134	L90-C112 CarbonylContact O-C 3.41Å; L90-C112 VanDerWaalsContact O-CA 3.23Å; L90-C112 WeakPolarHBondContact O-CA 3.5Å; L90-C112 WeakPolarHBondContact O-CB 3.48Å; L90-C112 PolarHBondContact O-N 2.76Å; C112-R114 PolarHBondContact O-N 3.03Å; C112-N134 PolarHBondContact N-OD1 3.06Å
113	L	96.6	Very high	94.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.			trans	-58.7	125.2	-174.3	-57.9	177.4	0	0	0	111	L90 S91 E92 L108 N111 L116 L131 N134 Q135 L136	L90-L113 HydrophobicContact CB-CD2 4.08Å; L90-L113 PolarHBondContact O-N 2.92Å; L90-L113 VanDerWaalsContact O-N 3.16Å; S91-L113 WeakPolarHBondContact O-CA 3.2Å; E92-L113 VanDerWaalsContact O-CD2 3.3Å; E92-L113 WeakPolarHBondContact O-CD2 3.41Å; L108-L113 HydrophobicContact CB-CD1 3.89Å; L108-L113 HydrophobicContact CD1-CD1 4.07Å; L108-L113 HydrophobicContact CD2-CD1 4.29Å; L108-L113 HydrophobicContact CG-CD1 4.31Å; N111-L113 HydrophobicContact CB-CG 4.12Å; L113-L116 HydrophobicContact CD1-CD2 4.16Å; L113-L131 HydrophobicContact CD1-CD2 4.12Å; L113-N134 HydrophobicContact CB-CB 4.02Å; L113-N134 WeakPolarHBondContact CB-OD1 3.2Å; L113-N134 VanDerWaalsContact CG-OD1 3.29Å; L113-N134 WeakPolarHBondContact CG-OD1 3.45Å; L113-N134 PolarHBondContact N-OD1 3.31Å; L113-Q135 CarbonylContact O-C 3.58Å; L113-Q135 VanDerWaalsContact O-CA 3.24Å; L113-Q135 WeakPolarHBondContact O-CA 3.49Å; L113-Q135 WeakPolarHBondContact O-CB 3.24Å; L113-Q135 PolarHBondContact O-N 3.07Å; L113-L136 HydrophobicContact CB-CD2 4Å; L113-L136 PolarHBondContact O-N 3.31Å; L113-L136 VanDerWaalsContact O-N 3.14Å
114	R	95.4	Very high	94.8	Very high	161 Å²	161	47.5 Å²	47.5	61%	0.608	24%	0.241	S	C	*	.			trans	-100.9	-31.9	177.2	-63.7	176.6	-179.7	-107.9	1.4	112.8	S91 C112 Q135	S91-R114 PolarHBondContact O-N 2.84Å; C112-R114 PolarHBondContact O-N 3.03Å; R114-Q135 HydrophobicContact CG-CB 4.44Å
115	S	93.1	Very high	94.7	Very high	61 Å²	61	46 Å²	46	43%	0.427	24%	0.239	S	C	.	.			trans	-142.9	171.6	179.7	51.2	0	0	0	0	109.5
116	L	94.8	Very high	94.7	Very high	13 Å²	13	42.1 Å²	42.1	7%	0.068	22%	0.224	C	C	.	.			trans	-127.6	144	170	-61.3	170.7	0	0	0	108.4	L93 L113 L120 L131 L136 P140 V143	L93-L116 HydrophobicContact CB-CD2 3.96Å; L93-L116 HydrophobicContact CD2-CD2 4.45Å; L113-L116 HydrophobicContact CD1-CD2 4.16Å; L116-L120 HydrophobicContact CB-CD1 3.72Å; L116-L120 HydrophobicContact CD1-CD1 4.01Å; L116-L120 HydrophobicContact CG-CD1 4.32Å; L116-L131 HydrophobicContact CD1-CD1 3.72Å; L116-L131 HydrophobicContact CD1-CD2 3.88Å; L116-L131 HydrophobicContact CD1-CG 4.47Å; L116-L131 HydrophobicContact CD2-CD2 3.82Å; L116-L131 HydrophobicContact CG-CD2 4.45Å; L116-L136 HydrophobicContact CD1-CD1 4.36Å; L116-L136 HydrophobicContact CG-CD2 4.18Å; L116-P140 HydrophobicContact CB-CG 4.03Å; L116-V143 HydrophobicContact CD1-CG2 3.92Å
117	P	94.1	Very high	94.6	Very high	26 Å²	26	43.5 Å²	43.5	17%	0.169	23%	0.233	C	C	.	.			trans	-81.8	151	-177.2	34.1	-36.4	0	0	0	112.1	L93 L95 G119 L120	L93-P117 HydrophobicContact CB-CG 4.28Å; L93-P117 HydrophobicContact CD2-CG 4.44Å; L95-P117 HydrophobicContact CD2-CB 3.68Å; L95-P117 HydrophobicContact CD2-CG 4.04Å; P117-G119 PolarHBondContact O-N 3.41Å; P117-G119 VanDerWaalsContact O-N 3.13Å; P117-L120 WeakPolarHBondContact O-CB 3.48Å; P117-L120 PolarHBondContact O-N 3.35Å; P117-L120 VanDerWaalsContact O-N 3.09Å
118	D	89.9	Confident	94.6	Very high	114 Å²	114	46.2 Å²	46.2	61%	0.61	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-64	-19.1	177.2	-53.5	-50.6	0	0	0	113.1	L120 V121 V142	D118-L120 PolarHBondContact O-N 2.83Å; D118-V121 WeakPolarHBondContact O-CG1 3.23Å; D118-V121 PolarHBondContact O-N 3.18Å; D118-V142 HydrophobicContact CB-CG2 4.25Å; D118-V142 WeakPolarHBondContact O-CG1 3.41Å
119	G	90.7	Very high	94.7	Very high	24 Å²	24	46.3 Å²	46.3	25%	0.247	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-58.3	-16	171.3	0	0	0	0	0	114.3	C98 P117 V121 N122	C98-G119 WeakPolarHBondContact CB-O 3.46Å; P117-G119 PolarHBondContact O-N 3.41Å; P117-G119 VanDerWaalsContact O-N 3.13Å; G119-V121 PolarHBondContact O-N 3.44Å; G119-V121 VanDerWaalsContact O-N 3.08Å; G119-N122 WeakPolarHBondContact O-CB 3.35Å; G119-N122 PolarHBondContact O-N 3.41Å; G119-N122 VanDerWaalsContact O-N 3.14Å; G119-N122 PolarHBondContact O-ND2 3.33Å
120	L	94.1	Very high	94.7	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-50.2	-30.8	170.7	-89.6	178.7	0	0	0	113.3	L93 L116 P117 D118 N122 L123 V142 V143 L146	L93-L120 HydrophobicContact CD2-CD1 4.36Å; L93-L120 HydrophobicContact CD2-CD2 3.42Å; L93-L120 VanDerWaalsContact CD2-CD2 3.42Å; L93-L120 HydrophobicContact CD2-CG 3.86Å; L116-L120 HydrophobicContact CB-CD1 3.72Å; L116-L120 HydrophobicContact CD1-CD1 4.01Å; L116-L120 HydrophobicContact CG-CD1 4.32Å; P117-L120 WeakPolarHBondContact O-CB 3.48Å; P117-L120 PolarHBondContact O-N 3.35Å; P117-L120 VanDerWaalsContact O-N 3.09Å; D118-L120 PolarHBondContact O-N 2.83Å; L120-N122 PolarHBondContact O-N 3.19Å; L120-L123 HydrophobicContact CD2-CD1 3.68Å; L120-L123 WeakPolarHBondContact O-CB 3.46Å; L120-L123 PolarHBondContact O-N 3.22Å; L120-V142 HydrophobicContact CB-CG1 3.85Å; L120-V143 HydrophobicContact CD1-CG2 3.93Å; L120-L146 WeakPolarHBondContact O-CD2 3.38Å
121	V	92.9	Very high	94.8	Very high	61 Å²	61	41 Å²	41	37%	0.37	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-53.8	-25	179.2	73.8	0	0	0	0	113.8	D118 G119 L123 Q124 V142	D118-V121 WeakPolarHBondContact O-CG1 3.23Å; D118-V121 PolarHBondContact O-N 3.18Å; G119-V121 PolarHBondContact O-N 3.44Å; G119-V121 VanDerWaalsContact O-N 3.08Å; V121-L123 PolarHBondContact O-N 2.83Å; V121-Q124 PolarHBondContact O-NE2 3.28Å; V121-V142 HydrophobicContact CB-CG1 3.9Å
122	N	91.4	Very high	94.8	Very high	75 Å²	75	40.8 Å²	40.8	40%	0.401	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-70.1	-18.7	178.7	-65.3	-19.4	0	0	0	113.5	C98 G119 L120 Q124	C98-N122 WeakPolarHBondContact O-CB 3.43Å; C98-N122 PolarHBondContact O-ND2 3.01Å; G119-N122 WeakPolarHBondContact O-CB 3.35Å; G119-N122 PolarHBondContact O-N 3.41Å; G119-N122 VanDerWaalsContact O-N 3.14Å; G119-N122 PolarHBondContact O-ND2 3.33Å; L120-N122 PolarHBondContact O-N 3.19Å; N122-Q124 PolarHBondContact O-N 3.35Å
123	L	93.6	Very high	94.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.			trans	-83	55	-173.6	-57.5	-176.6	0	0	0	112	F100 L103 L106 L120 V121 A125 L126	F100-L123 VanDerWaalsContact O-CD2 3.26Å; F100-L123 WeakPolarHBondContact O-CD2 3.46Å; L103-L123 HydrophobicContact CB-CD2 4.36Å; L103-L123 HydrophobicContact CD2-CD1 4.17Å; L103-L123 HydrophobicContact CD2-CD2 4.41Å; L106-L123 HydrophobicContact CD2-CD1 4.32Å; L120-L123 HydrophobicContact CD2-CD1 3.68Å; L120-L123 WeakPolarHBondContact O-CB 3.46Å; L120-L123 PolarHBondContact O-N 3.22Å; V121-L123 PolarHBondContact O-N 2.83Å; L123-A125 PolarHBondContact O-N 3.43Å; L123-L126 HydrophobicContact CB-CB 3.99Å; L123-L126 HydrophobicContact CB-CD2 4.38Å; L123-L126 HydrophobicContact CD1-CD2 4.19Å; L123-L126 WeakPolarHBondContact O-CB 3.32Å; L123-L126 PolarHBondContact O-N 3.35Å
124	Q	92.4	Very high	94.9	Very high	109 Å²	109	45 Å²	45	51%	0.509	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-3.8	-175.6	-67.9	-65.8	-41.8	0	0	114.5	V121 N122 P147	V121-Q124 PolarHBondContact O-NE2 3.28Å; N122-Q124 PolarHBondContact O-N 3.35Å; Q124-P147 WeakPolarHBondContact O-CG 3.37Å
125	A	92.4	Very high	95	Very high	30 Å²	30	40.4 Å²	40.4	25%	0.248	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-9	168	0	0	0	0	0	113.8	V101 L103 E104 L123 T127	V101-A125 WeakPolarHBondContact O-CB 3.27Å; L103-A125 CarbonylContact O-C 3.58Å; L103-A125 VanDerWaalsContact O-C 3.28Å; E104-A125 WeakPolarHBondContact CA-O 3.48Å; E104-A125 HydrophobicContact CG-CB 4.43Å; L123-A125 PolarHBondContact O-N 3.43Å; A125-T127 PolarHBondContact O-N 3.28Å
126	L	96.5	Very high	95.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.			trans	-74.1	114.6	-165.4	-169.9	67.3	0	0	0	112.1	L103 L106 L123 H128 L129 L146 P147 L148	L103-L126 HydrophobicContact CD2-CD1 4.38Å; L103-L126 HydrophobicContact CG-CD1 4.29Å; L103-L126 WeakPolarHBondContact O-CA 3.46Å; L103-L126 PolarHBondContact O-N 3.41Å; L103-L126 VanDerWaalsContact O-N 3.15Å; L106-L126 HydrophobicContact CB-CD1 3.76Å; L106-L126 HydrophobicContact CB-CD2 4.47Å; L123-L126 HydrophobicContact CB-CB 3.99Å; L123-L126 HydrophobicContact CB-CD2 4.38Å; L123-L126 HydrophobicContact CD1-CD2 4.19Å; L123-L126 WeakPolarHBondContact O-CB 3.32Å; L123-L126 PolarHBondContact O-N 3.35Å; L126-H128 WeakPolarHBondContact CD1-O 3.32Å; L126-L129 HydrophobicContact CD2-CB 4.24Å; L126-L129 HydrophobicContact CD2-CD1 4.4Å; L126-L129 HydrophobicContact CD2-CD2 4.36Å; L126-L146 HydrophobicContact CD2-CD1 4.1Å; L126-P147 CarbonylContact O-C 3.42Å; L126-L148 HydrophobicContact CD2-CD2 4.2Å; L126-L148 HydrophobicContact CG-CD2 3.98Å
127	T	96.3	Very high	95.2	Very high	30 Å²	30	39.9 Å²	39.9	18%	0.184	22%	0.216	C	C	.	.			trans	-108.7	-20.8	179.5	55.6	0	0	0	0	113	E104 A125 K149 V150	E104-T127 PolarHBondContact O-N 2.82Å; E104-T127 PolarHBondContact O-OG1 3.05Å; A125-T127 PolarHBondContact O-N 3.28Å; T127-K149 HydrophobicContact CG2-CD 4.36Å; T127-K149 HydrophobicContact CG2-CG 4.4Å; T127-K149 WeakPolarHBondContact O-CA 3.29Å; T127-K149 PolarHBondContact O-N 3.19Å; T127-V150 PolarHBondContact O-N 3.06Å
128	H	98.1	Very high	95.2	Very high	71 Å²	71	42.8 Å²	42.8	33%	0.329	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	118.4	-177.1	-63.7	74.7	0	0	0	110.8	E104 Y105 L106 L126	E104-H128 PolarHBondContact O-N 2.92Å; Y105-H128 HydrophobicContact CD2-CB 3.5Å; Y105-H128 VanDerWaalsContact CD2-CB 3.5Å; Y105-H128 HydrophobicContact CE2-CB 4.14Å; Y105-H128 HydrophobicContact CG-CB 4.3Å; L106-H128 PolarHBondContact N-O 2.97Å; L126-H128 WeakPolarHBondContact CD1-O 3.32Å
129	L	98.3	Very high	95.5	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	115.1	-179.5	178.1	55.4	0	0	0	110.9	L106 L108 L126 L131 V143 L148 V150 L151 I152	L106-L129 HydrophobicContact CB-CD1 4.13Å; L106-L129 HydrophobicContact CD2-CD1 4.02Å; L106-L129 HydrophobicContact CG-CD1 4.05Å; L108-L129 HydrophobicContact CD1-CD1 4.16Å; L126-L129 HydrophobicContact CD2-CB 4.24Å; L126-L129 HydrophobicContact CD2-CD1 4.4Å; L126-L129 HydrophobicContact CD2-CD2 4.36Å; L129-L131 HydrophobicContact CD1-CD2 4.17Å; L129-L131 HydrophobicContact CD1-CG 4.03Å; L129-L131 HydrophobicContact CD2-CD1 3.97Å; L129-L131 HydrophobicContact CD2-CG 4.38Å; L129-L131 HydrophobicContact CG-CD1 4.03Å; L129-L131 HydrophobicContact CG-CG 3.96Å; L129-V143 HydrophobicContact CD2-CG1 3.95Å; L129-L148 HydrophobicContact CB-CD1 4.44Å; L129-L148 HydrophobicContact CB-CD2 3.68Å; L129-L148 HydrophobicContact CD2-CD1 4.29Å; L129-V150 PolarHBondContact N-O 3.38Å; L129-L151 HydrophobicContact CB-CD1 4.23Å; L129-L151 HydrophobicContact CD2-CD1 4.12Å; L129-L151 HydrophobicContact CG-CD1 4.16Å; L129-I152 PolarHBondContact O-N 2.91Å
130	N	98.1	Very high	95.7	Very high	28 Å²	28	37.8 Å²	37.8	15%	0.15	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	109	175.7	-174	-2.8	0	0	0	111.3	L106 N107 L108 S132 I152	L106-N130 PolarHBondContact O-N 2.99Å; N107-N130 PolarHBondContact OD1-ND2 3.35Å; L108-N130 WeakPolarHBondContact CA-O 3.14Å; L108-N130 WeakPolarHBondContact CB-O 3.08Å; L108-N130 PolarHBondContact N-O 2.74Å; N130-S132 WeakPolarHBondContact OD1-CB 3.44Å; N130-S132 PolarHBondContact OD1-N 3.36Å; N130-S132 PolarHBondContact OD1-OG 3.29Å; N130-I152 CarbonylContact C-O 3.38Å; N130-I152 HydrophobicContact CB-CB 4.44Å; N130-I152 PolarHBondContact OD1-O 3.04Å
131	L	97.8	Very high	95.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.216	C	C	.	.			trans	-107.9	5.6	179.2	-66.7	165.3	0	0	0	112.6	L108 L113 L116 L129 N134 L136 L139 L151 I152 A153 N156	L108-L131 HydrophobicContact CB-CD2 4.41Å; L108-L131 HydrophobicContact CD1-CD2 3.61Å; L113-L131 HydrophobicContact CD1-CD2 4.12Å; L116-L131 HydrophobicContact CD1-CD1 3.72Å; L116-L131 HydrophobicContact CD1-CD2 3.88Å; L116-L131 HydrophobicContact CD1-CG 4.47Å; L116-L131 HydrophobicContact CD2-CD2 3.82Å; L116-L131 HydrophobicContact CG-CD2 4.45Å; L129-L131 HydrophobicContact CD1-CD2 4.17Å; L129-L131 HydrophobicContact CD1-CG 4.03Å; L129-L131 HydrophobicContact CD2-CD1 3.97Å; L129-L131 HydrophobicContact CD2-CG 4.38Å; L129-L131 HydrophobicContact CG-CD1 4.03Å; L129-L131 HydrophobicContact CG-CG 3.96Å; L131-N134 WeakPolarHBondContact O-CB 3.24Å; L131-N134 PolarHBondContact O-ND2 3.01Å; L131-L136 HydrophobicContact CB-CD1 4.11Å; L131-L136 HydrophobicContact CD1-CD1 4.14Å; L131-L136 HydrophobicContact CD2-CD1 4.32Å; L131-L136 HydrophobicContact CG-CD1 4.44Å; L131-L139 HydrophobicContact CD1-CD1 4.02Å; L131-L151 HydrophobicContact CD1-CD1 4.29Å; L131-I152 PolarHBondContact N-O 2.84Å; L131-A153 HydrophobicContact CB-CB 4.33Å; L131-N156 PolarHBondContact O-ND2 3.44Å
132	S	97.8	Very high	95.7	Very high	8 Å²	8	38 Å²	38	6%	0.056	21%	0.207	C	C	.	.			trans	-68.3	152	-169.5	57.8	0	0	0	0	114.4	Y109 Q110 N130 I152 S154	Y109-S132 CarbonylContact C-O 3.52Å; Y109-S132 WeakPolarHBondContact CA-O 3.39Å; Y109-S132 WeakPolarHBondContact CD2-OG 2.9Å; Q110-S132 PolarHBondContact N-O 2.86Å; N130-S132 WeakPolarHBondContact OD1-CB 3.44Å; N130-S132 PolarHBondContact OD1-N 3.36Å; N130-S132 PolarHBondContact OD1-OG 3.29Å; S132-I152 PolarHBondContact N-O 3.25Å; S132-S154 CarbonylContact C-O 3.51Å; S132-S154 WeakPolarHBondContact CA-O 3.33Å; S132-S154 WeakPolarHBondContact CB-O 3.43Å; S132-S154 WeakPolarHBondContact CB-OG 3.49Å
133	R	97.5	Very high	95.9	Very high	121 Å²	121	34.4 Å²	34.4	46%	0.457	19%	0.188	S	C	.	.	S	Bend	trans	56.2	57.2	-170.1	-63.8	-174.3	174.4	-176	-5.7	113	Y109 Q110 N111 S154 N155	Y109-R133 HydrophobicContact CE2-CB 4.44Å; Y109-R133 HydrophobicContact CE2-CG 4.07Å; Y109-R133 PolarHBondContact OH-NH1 2.88Å; Q110-R133 VanDerWaalsContact CA-O 3.24Å; Q110-R133 WeakPolarHBondContact CA-O 3.07Å; Q110-R133 HydrophobicContact CB-CB 4.22Å; Q110-R133 PolarHBondContact N-O 2.88Å; N111-R133 PolarHBondContact N-O 3.19Å; R133-S154 PolarHBondContact N-O 2.98Å; R133-N155 VanDerWaalsContact CA-O 3.29Å; R133-N155 WeakPolarHBondContact CA-O 3.39Å; R133-N155 HydrophobicContact CG-CB 3.94Å; R133-N155 PolarHBondContact N-O 2.63Å
134	N	97.9	Very high	95.9	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.053	19%	0.189	C	C	.	.	S	Bend	trans	-123.8	-161.6	171.3	-84.3	-71.6	0	0	0	110.4	L108 N111 C112 L113 L131 L136 N155 N156	L108-N134 PolarHBondContact O-ND2 2.53Å; L108-N134 VanDerWaalsContact O-ND2 3.1Å; N111-N134 WeakPolarHBondContact CA-OD1 3.2Å; N111-N134 WeakPolarHBondContact CB-OD1 3.46Å; N111-N134 PolarHBondContact N-OD1 2.87Å; N111-N134 PolarHBondContact O-OD1 2.87Å; C112-N134 PolarHBondContact N-OD1 3.06Å; L113-N134 HydrophobicContact CB-CB 4.02Å; L113-N134 WeakPolarHBondContact CB-OD1 3.2Å; L113-N134 VanDerWaalsContact CG-OD1 3.29Å; L113-N134 WeakPolarHBondContact CG-OD1 3.45Å; L113-N134 PolarHBondContact N-OD1 3.31Å; L131-N134 WeakPolarHBondContact O-CB 3.24Å; L131-N134 PolarHBondContact O-ND2 3.01Å; N134-L136 HydrophobicContact CB-CG 4.37Å; N134-N155 PolarHBondContact N-O 3.1Å; N134-N156 VanDerWaalsContact CA-OD1 3.23Å; N134-N156 WeakPolarHBondContact CA-OD1 3.05Å; N134-N156 WeakPolarHBondContact CB-OD1 3.39Å; N134-N156 PolarHBondContact N-OD1 2.82Å; N134-N156 PolarHBondContact O-OD1 3.01Å
135	Q	97.2	Very high	95.9	Very high	64 Å²	64	31.7 Å²	31.7	30%	0.299	18%	0.181	S	C	.	.			trans	-123.2	23.4	-178	-57.1	-173.7	50	0	0	112.2	L113 R114 S137 N156	L113-Q135 CarbonylContact O-C 3.58Å; L113-Q135 VanDerWaalsContact O-CA 3.24Å; L113-Q135 WeakPolarHBondContact O-CA 3.49Å; L113-Q135 WeakPolarHBondContact O-CB 3.24Å; L113-Q135 PolarHBondContact O-N 3.07Å; R114-Q135 HydrophobicContact CG-CB 4.44Å; Q135-S137 PolarHBondContact O-N 2.98Å; Q135-N156 PolarHBondContact N-OD1 2.79Å
136	L	96.9	Very high	96	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.			trans	-64.3	123.9	-177.9	-58.8	175.1	0	0	0	110.4	L113 L116 L131 N134 N156 K157 L158	L113-L136 HydrophobicContact CB-CD2 4Å; L113-L136 PolarHBondContact O-N 3.31Å; L113-L136 VanDerWaalsContact O-N 3.14Å; L116-L136 HydrophobicContact CD1-CD1 4.36Å; L116-L136 HydrophobicContact CG-CD2 4.18Å; L131-L136 HydrophobicContact CB-CD1 4.11Å; L131-L136 HydrophobicContact CD1-CD1 4.14Å; L131-L136 HydrophobicContact CD2-CD1 4.32Å; L131-L136 HydrophobicContact CG-CD1 4.44Å; N134-L136 HydrophobicContact CB-CG 4.37Å; L136-N156 HydrophobicContact CB-CB 4.28Å; L136-N156 WeakPolarHBondContact CB-OD1 3.26Å; L136-N156 WeakPolarHBondContact CG-OD1 3.3Å; L136-N156 PolarHBondContact N-OD1 3.14Å; L136-K157 CarbonylContact O-C 3.46Å; L136-K157 VanDerWaalsContact O-CA 3.31Å; L136-K157 WeakPolarHBondContact O-CA 3.38Å; L136-K157 PolarHBondContact O-N 3.2Å; L136-L158 HydrophobicContact CB-CD2 4.04Å; L136-L158 PolarHBondContact O-N 2.99Å
137	S	95.1	Very high	95.9	Very high	63 Å²	63	32.5 Å²	32.5	44%	0.441	18%	0.184	S	C	.	.	S	Bend	trans	-90.8	-26.8	173.9	52	0	0	0	0	113.3	Q135 V159	Q135-S137 PolarHBondContact O-N 2.98Å; S137-V159 PolarHBondContact O-N 3.21Å
138	V	95.1	Very high	96	Very high	87 Å²	87	31.1 Å²	31.1	53%	0.527	18%	0.175	S	C	.	.			trans	-138.4	142.5	179.6	-178.9	0	0	0	0	108.2
139	L	95.4	Very high	95.9	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	18%	0.181	C	C	.	.			trans	-95.8	115.5	166.8	-172.5	76	0	0	0	107.5	L131 V143 L151 L158 P162	L131-L139 HydrophobicContact CD1-CD1 4.02Å; L139-V143 HydrophobicContact CD1-CB 4.25Å; L139-V143 HydrophobicContact CD1-CG1 4.18Å; L139-V143 HydrophobicContact CD1-CG2 3.96Å; L139-V143 HydrophobicContact CD2-CG1 4.36Å; L139-V143 HydrophobicContact CG-CB 4.22Å; L139-V143 HydrophobicContact CG-CG1 4.42Å; L139-V143 HydrophobicContact CG-CG2 4.3Å; L139-L151 HydrophobicContact CD2-CD2 4.13Å; L139-L158 HydrophobicContact CB-CD2 4.21Å; L139-P162 HydrophobicContact CD2-CG 4.44Å
140	P	94.4	Very high	95.9	Very high	29 Å²	29	33.4 Å²	33.4	19%	0.188	19%	0.186	C	C	.	.			trans	-71.5	145.2	-177	27.6	-31.8	0	0	0	111.1	L116 V142 V143	L116-P140 HydrophobicContact CB-CG 4.03Å; P140-V142 PolarHBondContact O-N 3.14Å; P140-V143 HydrophobicContact CG-CG2 4.2Å; P140-V143 WeakPolarHBondContact O-CB 3.31Å; P140-V143 PolarHBondContact O-N 3.19Å
141	A	93.6	Very high	96	Very high	36 Å²	36	32.1 Å²	32.1	30%	0.298	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-55	-24.3	-178.8	0	0	0	0	0	114	V143 C144 E164	A141-V143 PolarHBondContact O-N 2.91Å; A141-C144 WeakPolarHBondContact O-CA 3.43Å; A141-C144 VanDerWaalsContact O-CB 3.28Å; A141-C144 WeakPolarHBondContact O-CB 3.18Å; A141-C144 PolarHBondContact O-N 3Å; A141-E164 HydrophobicContact CB-CB 4.01Å; A141-E164 HydrophobicContact CB-CG 3.78Å
142	V	93.4	Very high	96	Very high	30 Å²	30	33.9 Å²	33.9	18%	0.182	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-58.7	-27.8	173.3	177.4	0	0	0	0	113.1	D118 L120 V121 P140 C144 S145	D118-V142 HydrophobicContact CB-CG2 4.25Å; D118-V142 WeakPolarHBondContact O-CG1 3.41Å; L120-V142 HydrophobicContact CB-CG1 3.85Å; V121-V142 HydrophobicContact CB-CG1 3.9Å; P140-V142 PolarHBondContact O-N 3.14Å; V142-C144 PolarHBondContact O-N 3.34Å; V142-S145 PolarHBondContact O-N 3.24Å; V142-S145 PolarHBondContact O-OG 3.25Å; V142-S145 VanDerWaalsContact O-OG 3.08Å
143	V	95.5	Very high	96	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-66.7	-26.5	172.9	178.9	0	0	0	0	111.3	L116 L120 L129 L139 P140 A141 L148 L151	L116-V143 HydrophobicContact CD1-CG2 3.92Å; L120-V143 HydrophobicContact CD1-CG2 3.93Å; L129-V143 HydrophobicContact CD2-CG1 3.95Å; L139-V143 HydrophobicContact CD1-CB 4.25Å; L139-V143 HydrophobicContact CD1-CG1 4.18Å; L139-V143 HydrophobicContact CD1-CG2 3.96Å; L139-V143 HydrophobicContact CD2-CG1 4.36Å; L139-V143 HydrophobicContact CG-CB 4.22Å; L139-V143 HydrophobicContact CG-CG1 4.42Å; L139-V143 HydrophobicContact CG-CG2 4.3Å; P140-V143 HydrophobicContact CG-CG2 4.2Å; P140-V143 WeakPolarHBondContact O-CB 3.31Å; P140-V143 PolarHBondContact O-N 3.19Å; A141-V143 PolarHBondContact O-N 2.91Å; V143-L148 HydrophobicContact CG1-CD1 3.8Å; V143-L148 WeakPolarHBondContact O-CD1 3.23Å; V143-L151 HydrophobicContact CG1-CD1 4.21Å; V143-L151 HydrophobicContact CG1-CD2 4.19Å
144	C	93.8	Very high	96	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.007	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-86.1	-11.8	-176.1	-53.4	0	0	0	0	113.9	A141 V142 L146 P162 E164 Q167 L168	A141-C144 WeakPolarHBondContact O-CA 3.43Å; A141-C144 VanDerWaalsContact O-CB 3.28Å; A141-C144 WeakPolarHBondContact O-CB 3.18Å; A141-C144 PolarHBondContact O-N 3Å; V142-C144 PolarHBondContact O-N 3.34Å; C144-L146 VanDerWaalsContact C-N 3.35Å; C144-P162 VanDerWaalsContact SG-CG 3.55Å; C144-E164 HydrophobicContact CB-CB 4.03Å; C144-E164 VanDerWaalsContact CB-O 3.28Å; C144-E164 WeakPolarHBondContact CB-O 3.24Å; C144-Q167 WeakPolarHBondContact O-CB 3.15Å; C144-L168 HydrophobicContact CB-CD1 4.5Å; C144-L168 HydrophobicContact CB-CG 4.23Å; C144-L168 VanDerWaalsContact O-CD2 3.23Å; C144-L168 WeakPolarHBondContact O-CD2 3.47Å
145	S	93.3	Very high	96	Very high	51 Å²	51	31.9 Å²	31.9	36%	0.357	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-90.4	5.1	172.7	63.7	0	0	0	0	114	V142	V142-S145 PolarHBondContact O-N 3.24Å; V142-S145 PolarHBondContact O-OG 3.25Å; V142-S145 VanDerWaalsContact O-OG 3.08Å
146	L	94.5	Very high	96	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.026	18%	0.175	C	C	.	.	S	Bend	trans	-95.2	149.2	178.2	-59.5	-179.3	0	0	0	111.6	L120 L126 C144 L148 L168	L120-L146 WeakPolarHBondContact O-CD2 3.38Å; L126-L146 HydrophobicContact CD2-CD1 4.1Å; C144-L146 VanDerWaalsContact C-N 3.35Å; L146-L148 HydrophobicContact CB-CD1 4.42Å; L146-L148 HydrophobicContact CB-CG 4.02Å; L146-L148 PolarHBondContact O-N 2.74Å; L146-L168 WeakPolarHBondContact O-CD2 3.37Å
147	P	94.1	Very high	96	Very high	42 Å²	42	34.1 Å²	34.1	27%	0.273	20%	0.196	S	C	.	.			trans	-77.6	49.2	-178.9	32.8	-35.6	0	0	0	113.5	Q124 L126	Q124-P147 WeakPolarHBondContact O-CG 3.37Å; L126-P147 CarbonylContact O-C 3.42Å
148	L	97.6	Very high	96.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.175	C	C	.	.			trans	-67.4	136.2	-177.6	-66.4	171.9	0	0	0	112.1	L126 L129 V143 L146 L151 L168 H170 L171	L126-L148 HydrophobicContact CD2-CD2 4.2Å; L126-L148 HydrophobicContact CG-CD2 3.98Å; L129-L148 HydrophobicContact CB-CD1 4.44Å; L129-L148 HydrophobicContact CB-CD2 3.68Å; L129-L148 HydrophobicContact CD2-CD1 4.29Å; V143-L148 HydrophobicContact CG1-CD1 3.8Å; V143-L148 WeakPolarHBondContact O-CD1 3.23Å; L146-L148 HydrophobicContact CB-CD1 4.42Å; L146-L148 HydrophobicContact CB-CG 4.02Å; L146-L148 PolarHBondContact O-N 2.74Å; L148-L151 HydrophobicContact CD1-CB 4.47Å; L148-L151 HydrophobicContact CD1-CD1 4.29Å; L148-L151 HydrophobicContact CD1-CD2 4.42Å; L148-L168 HydrophobicContact CB-CD2 4.17Å; L148-L168 HydrophobicContact CD1-CD2 4.45Å; L148-H170 CarbonylContact O-C 3.56Å; L148-L171 HydrophobicContact CB-CD1 4.05Å; L148-L171 WeakPolarHBondContact O-CA 3.12Å; L148-L171 PolarHBondContact O-N 2.83Å
149	K	97.3	Very high	96.2	Very high	104 Å²	104	29.7 Å²	29.7	45%	0.452	17%	0.166	S	C	.	.	S	Bend	trans	-105.9	-30.3	170.1	-61.3	-173.2	177.1	-176.1	0	111.7	T127 T172 E173	T127-K149 HydrophobicContact CG2-CD 4.36Å; T127-K149 HydrophobicContact CG2-CG 4.4Å; T127-K149 WeakPolarHBondContact O-CA 3.29Å; T127-K149 PolarHBondContact O-N 3.19Å; K149-T172 PolarHBondContact O-N 2.71Å; K149-T172 PolarHBondContact O-OG1 3.49Å; K149-E173 PolarHBondContact O-N 3.44Å; K149-E173 VanDerWaalsContact O-N 3.1Å
150	V	98.4	Very high	96.2	Very high	18 Å²	18	32.1 Å²	32.1	11%	0.109	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	119.9	178.7	179.4	0	0	0	0	109.8	T127 L129 I152 E173	T127-V150 PolarHBondContact O-N 3.06Å; L129-V150 PolarHBondContact N-O 3.38Å; V150-I152 HydrophobicContact CG1-CD1 3.77Å; V150-I152 HydrophobicContact CG1-CG1 3.85Å; V150-E173 HydrophobicContact CG1-CB 4.29Å; V150-E173 HydrophobicContact CG1-CG 4.44Å; V150-E173 HydrophobicContact CG2-CB 4.23Å
151	L	98.4	Very high	96.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	111.6	175.9	177.9	57	0	0	0	110.4	L129 L131 L139 V143 L148 L168 L171 E173 L174 D175	L129-L151 HydrophobicContact CB-CD1 4.23Å; L129-L151 HydrophobicContact CD2-CD1 4.12Å; L129-L151 HydrophobicContact CG-CD1 4.16Å; L131-L151 HydrophobicContact CD1-CD1 4.29Å; L139-L151 HydrophobicContact CD2-CD2 4.13Å; V143-L151 HydrophobicContact CG1-CD1 4.21Å; V143-L151 HydrophobicContact CG1-CD2 4.19Å; L148-L151 HydrophobicContact CD1-CB 4.47Å; L148-L151 HydrophobicContact CD1-CD1 4.29Å; L148-L151 HydrophobicContact CD1-CD2 4.42Å; L151-L168 HydrophobicContact CD2-CD1 4.3Å; L151-L171 HydrophobicContact CB-CD1 3.8Å; L151-E173 PolarHBondContact N-O 3.07Å; L151-L174 HydrophobicContact CB-CD1 4.09Å; L151-L174 HydrophobicContact CD2-CD1 3.96Å; L151-L174 HydrophobicContact CG-CD1 4.02Å; L151-L174 WeakPolarHBondContact O-CA 3.33Å; L151-D175 PolarHBondContact O-N 3.49Å
152	I	98.3	Very high	96.4	Very high	36 Å²	36	30.4 Å²	30.4	19%	0.185	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	99.4	-177	-59.7	168.6	0	0	0	108.5	L129 N130 L131 S132 V150 D175	L129-I152 PolarHBondContact O-N 2.91Å; N130-I152 CarbonylContact C-O 3.38Å; N130-I152 HydrophobicContact CB-CB 4.44Å; N130-I152 PolarHBondContact OD1-O 3.04Å; L131-I152 PolarHBondContact N-O 2.84Å; S132-I152 PolarHBondContact N-O 3.25Å; V150-I152 HydrophobicContact CG1-CD1 3.77Å; V150-I152 HydrophobicContact CG1-CG1 3.85Å; I152-D175 HydrophobicContact CG1-CB 4.42Å; I152-D175 HydrophobicContact CG2-CB 4.28Å
153	A	97.7	Very high	96.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.			trans	-117.5	21.3	-178.9	0	0	0	0	0	113.1	L131 N156 L158 D175 V176 N179	L131-A153 HydrophobicContact CB-CB 4.33Å; A153-N156 PolarHBondContact O-ND2 2.84Å; A153-L158 HydrophobicContact CB-CD1 4.18Å; A153-D175 CarbonylContact C-O 3.41Å; A153-D175 PolarHBondContact N-O 3.35Å; A153-V176 HydrophobicContact CB-CG1 4.48Å; A153-N179 PolarHBondContact O-ND2 3.44Å; A153-N179 VanDerWaalsContact O-ND2 3.16Å
154	S	97.8	Very high	96.5	Very high	15 Å²	15	38.8 Å²	38.8	11%	0.105	21%	0.206	C	C	.	.			trans	-65.2	155.8	-178.1	49.1	0	0	0	0	115	S132 R133 N156 D175 S177	S132-S154 CarbonylContact C-O 3.51Å; S132-S154 WeakPolarHBondContact CA-O 3.33Å; S132-S154 WeakPolarHBondContact CB-O 3.43Å; S132-S154 WeakPolarHBondContact CB-OG 3.49Å; R133-S154 PolarHBondContact N-O 2.98Å; S154-N156 PolarHBondContact O-N 3.5Å; S154-D175 VanDerWaalsContact CB-CG 3.5Å; S154-D175 WeakPolarHBondContact CB-OD1 3.07Å; S154-D175 WeakPolarHBondContact CB-OD2 3.21Å; S154-D175 PolarHBondContact N-O 3.26Å; S154-D175 PolarHBondContact OG-OD2 3.29Å; S154-S177 CarbonylContact C-O 3.49Å; S154-S177 WeakPolarHBondContact CA-O 3.45Å; S154-S177 WeakPolarHBondContact CB-O 3.5Å; S154-S177 WeakPolarHBondContact CB-OG 3.42Å
155	N	97.8	Very high	96.5	Very high	82 Å²	82	38.8 Å²	38.8	44%	0.439	21%	0.206	S	C	.	.	S	Bend	trans	57.3	48.7	-178.1	-157.1	119.3	0	0	0	112.2	R133 N134 S177 C178	R133-N155 VanDerWaalsContact CA-O 3.29Å; R133-N155 WeakPolarHBondContact CA-O 3.39Å; R133-N155 HydrophobicContact CG-CB 3.94Å; R133-N155 PolarHBondContact N-O 2.63Å; N134-N155 PolarHBondContact N-O 3.1Å; N155-S177 PolarHBondContact N-O 3.5Å; N155-C178 WeakPolarHBondContact CA-O 3.43Å; N155-C178 HydrophobicContact CB-CB 4.23Å; N155-C178 PolarHBondContact N-O 3.21Å
156	N	98	Very high	96.5	Very high	11 Å²	11	36.4 Å²	36.4	6%	0.059	19%	0.19	C	C	.	.	S	Bend	trans	-113.9	-154.3	170.9	-87.4	-76.4	0	0	0	109.2	L131 N134 Q135 L136 A153 S154 L158 N179	L131-N156 PolarHBondContact O-ND2 3.44Å; N134-N156 VanDerWaalsContact CA-OD1 3.23Å; N134-N156 WeakPolarHBondContact CA-OD1 3.05Å; N134-N156 WeakPolarHBondContact CB-OD1 3.39Å; N134-N156 PolarHBondContact N-OD1 2.82Å; N134-N156 PolarHBondContact O-OD1 3.01Å; Q135-N156 PolarHBondContact N-OD1 2.79Å; L136-N156 HydrophobicContact CB-CB 4.28Å; L136-N156 WeakPolarHBondContact CB-OD1 3.26Å; L136-N156 WeakPolarHBondContact CG-OD1 3.3Å; L136-N156 PolarHBondContact N-OD1 3.14Å; A153-N156 PolarHBondContact O-ND2 2.84Å; S154-N156 PolarHBondContact O-N 3.5Å; N156-L158 HydrophobicContact CB-CG 4.19Å; N156-N179 WeakPolarHBondContact CA-OD1 3.09Å; N156-N179 WeakPolarHBondContact CB-OD1 3.3Å; N156-N179 PolarHBondContact N-OD1 3.31Å; N156-N179 PolarHBondContact O-OD1 2.93Å
157	K	97.3	Very high	96.5	Very high	101 Å²	101	41.5 Å²	41.5	44%	0.439	21%	0.213	S	C	.	.			trans	-126.6	30.6	176.1	-59.5	-175.6	178.2	-178.9	0	112.1	L136 V159 N179	L136-K157 CarbonylContact O-C 3.46Å; L136-K157 VanDerWaalsContact O-CA 3.31Å; L136-K157 WeakPolarHBondContact O-CA 3.38Å; L136-K157 PolarHBondContact O-N 3.2Å; K157-V159 PolarHBondContact O-N 3.26Å; K157-N179 PolarHBondContact N-OD1 3.2Å
158	L	97.5	Very high	96.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.			trans	-64.8	124.2	-176.3	-59.7	175.7	0	0	0	110	L136 L139 A153 N156 L161 N179 E180 I181	L136-L158 HydrophobicContact CB-CD2 4.04Å; L136-L158 PolarHBondContact O-N 2.99Å; L139-L158 HydrophobicContact CB-CD2 4.21Å; A153-L158 HydrophobicContact CB-CD1 4.18Å; N156-L158 HydrophobicContact CB-CG 4.19Å; L158-L161 HydrophobicContact CD1-CD2 4.27Å; L158-N179 HydrophobicContact CB-CB 4.16Å; L158-N179 WeakPolarHBondContact CB-OD1 3.25Å; L158-N179 WeakPolarHBondContact CG-OD1 3.33Å; L158-N179 PolarHBondContact N-OD1 3.16Å; L158-E180 CarbonylContact O-C 3.58Å; L158-E180 WeakPolarHBondContact O-CA 3.44Å; L158-E180 PolarHBondContact O-N 2.78Å; L158-I181 HydrophobicContact CB-CD1 4.42Å; L158-I181 HydrophobicContact CB-CG1 4.14Å; L158-I181 VanDerWaalsContact O-CG1 3.26Å; L158-I181 WeakPolarHBondContact O-CG1 3.36Å; L158-I181 PolarHBondContact O-N 2.6Å; L158-I181 VanDerWaalsContact O-N 3.08Å
159	V	96.4	Very high	96.3	Very high	56 Å²	56	46.4 Å²	46.4	34%	0.339	23%	0.227	S	C	.	.	S	Bend	trans	-92.8	-24.9	-179.9	-175.4	0	0	0	0	112.1	S137 K157 I181 R182	S137-V159 PolarHBondContact O-N 3.21Å; K157-V159 PolarHBondContact O-N 3.26Å; V159-I181 WeakPolarHBondContact O-CA 3.47Å; V159-R182 PolarHBondContact O-N 2.9Å
160	S	95.5	Very high	96.2	Very high	56 Å²	56	47.5 Å²	47.5	39%	0.392	23%	0.233	S	C	.	.			trans	-150.3	172.9	175.8	56.8	0	0	0	0	109.7
161	L	96.3	Very high	96.2	Very high	10 Å²	10	46.6 Å²	46.6	5%	0.052	23%	0.228	C	C	.	.			trans	-110.6	150.6	164.9	-57.6	179.2	0	0	0	108.8	L158 L165 V176 I181 L184 P185	L158-L161 HydrophobicContact CD1-CD2 4.27Å; L161-L165 HydrophobicContact CB-CD2 4.33Å; L161-L165 HydrophobicContact CD1-CD2 3.84Å; L161-V176 HydrophobicContact CD1-CG1 4.5Å; L161-V176 HydrophobicContact CD1-CG2 4.42Å; L161-V176 HydrophobicContact CD2-CG1 4.09Å; L161-I181 HydrophobicContact CD2-CD1 3.91Å; L161-I181 HydrophobicContact CG-CD1 4.12Å; L161-L184 HydrophobicContact CD1-CD2 3.8Å; L161-P185 HydrophobicContact CB-CG 4.3Å
162	P	95.6	Very high	96.2	Very high	18 Å²	18	49.3 Å²	49.3	12%	0.117	24%	0.244	C	C	.	.			trans	-61.6	151.3	174.5	25.4	-34.6	0	0	0	111.9	L139 C144 E164 L165	L139-P162 HydrophobicContact CD2-CG 4.44Å; C144-P162 VanDerWaalsContact SG-CG 3.55Å; P162-E164 VanDerWaalsContact C-N 3.26Å; P162-E164 VanDerWaalsContact CB-OE2 3.29Å; P162-E164 WeakPolarHBondContact CB-OE2 3.35Å; P162-L165 VanDerWaalsContact O-CB 3.26Å; P162-L165 WeakPolarHBondContact O-CB 3.5Å; P162-L165 PolarHBondContact O-N 3.39Å
163	E	94.1	Very high	96.2	Very high	126 Å²	126	51 Å²	51	59%	0.589	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-71.3	-27.9	174.7	-71	-170.7	-146.8	0	0	111.3	L165 P185 Q187	E163-L165 PolarHBondContact O-N 3.32Å; E163-P185 HydrophobicContact CG-CB 4.23Å; E163-Q187 WeakPolarHBondContact O-CB 3.12Å; E163-Q187 WeakPolarHBondContact O-CG 3.39Å; E163-Q187 PolarHBondContact OE2-NE2 2.96Å
164	E	96.1	Very high	96.2	Very high	81 Å²	81	51 Å²	51	38%	0.379	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-62.5	-10.9	174	-60.6	84.9	172.4	0	0	113.3	A141 C144 P162 G166 Q167	A141-E164 HydrophobicContact CB-CB 4.01Å; A141-E164 HydrophobicContact CB-CG 3.78Å; C144-E164 HydrophobicContact CB-CB 4.03Å; C144-E164 VanDerWaalsContact CB-O 3.28Å; C144-E164 WeakPolarHBondContact CB-O 3.24Å; P162-E164 VanDerWaalsContact C-N 3.26Å; P162-E164 VanDerWaalsContact CB-OE2 3.29Å; P162-E164 WeakPolarHBondContact CB-OE2 3.35Å; E164-G166 PolarHBondContact O-N 3.3Å; E164-G166 VanDerWaalsContact O-N 3.08Å; E164-Q167 VanDerWaalsContact O-CB 3.22Å; E164-Q167 WeakPolarHBondContact O-CB 3.39Å; E164-Q167 VanDerWaalsContact O-CG 3.25Å; E164-Q167 WeakPolarHBondContact O-CG 3.08Å; E164-Q167 PolarHBondContact O-N 3.22Å
165	L	95.5	Very high	96.3	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-51.3	-34.7	176.9	-169.9	76.4	0	0	0	112.4	L161 P162 E163 Q167 L168 L174 V188 L191	L161-L165 HydrophobicContact CB-CD2 4.33Å; L161-L165 HydrophobicContact CD1-CD2 3.84Å; P162-L165 VanDerWaalsContact O-CB 3.26Å; P162-L165 WeakPolarHBondContact O-CB 3.5Å; P162-L165 PolarHBondContact O-N 3.39Å; E163-L165 PolarHBondContact O-N 3.32Å; L165-Q167 PolarHBondContact O-N 2.88Å; L165-Q167 VanDerWaalsContact O-N 3.09Å; L165-L168 HydrophobicContact CD1-CD1 3.91Å; L165-L168 WeakPolarHBondContact O-CB 3.05Å; L165-L168 PolarHBondContact O-N 3.34Å; L165-L174 HydrophobicContact CD2-CD2 4.09Å; L165-V188 HydrophobicContact CD2-CG2 3.86Å; L165-L191 HydrophobicContact CD2-CD1 4.33Å; L165-L191 HydrophobicContact CG-CD1 4.47Å; L165-L191 VanDerWaalsContact O-CD2 3.26Å; L165-L191 WeakPolarHBondContact O-CD2 3.49Å
166	G	92.4	Very high	96.3	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.01	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-61.4	-13.2	176.4	0	0	0	0	0	115.5	E164 L168 Q187	E164-G166 PolarHBondContact O-N 3.3Å; E164-G166 VanDerWaalsContact O-N 3.08Å; G166-L168 PolarHBondContact O-N 3.41Å; G166-Q187 VanDerWaalsContact CA-O 3.28Å; G166-Q187 WeakPolarHBondContact CA-O 3.49Å
167	Q	94.9	Very high	96.3	Very high	112 Å²	112	47.6 Å²	47.6	52%	0.523	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-68.7	-22.4	172.2	-63	173.4	15.4	0	0	112.4	C144 E164 L165 R169	C144-Q167 WeakPolarHBondContact O-CB 3.15Å; E164-Q167 VanDerWaalsContact O-CB 3.22Å; E164-Q167 WeakPolarHBondContact O-CB 3.39Å; E164-Q167 VanDerWaalsContact O-CG 3.25Å; E164-Q167 WeakPolarHBondContact O-CG 3.08Å; E164-Q167 PolarHBondContact O-N 3.22Å; L165-Q167 PolarHBondContact O-N 2.88Å; L165-Q167 VanDerWaalsContact O-N 3.09Å; Q167-R169 PolarHBondContact O-N 3.49Å
168	L	95.5	Very high	96.3	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.026	23%	0.225	C	C	.	.			trans	-77.1	52.4	-177.7	-64.7	179.4	0	0	0	113.3	C144 L146 L148 L151 L165 G166 H170 L171 L191	C144-L168 HydrophobicContact CB-CD1 4.5Å; C144-L168 HydrophobicContact CB-CG 4.23Å; C144-L168 VanDerWaalsContact O-CD2 3.23Å; C144-L168 WeakPolarHBondContact O-CD2 3.47Å; L146-L168 WeakPolarHBondContact O-CD2 3.37Å; L148-L168 HydrophobicContact CB-CD2 4.17Å; L148-L168 HydrophobicContact CD1-CD2 4.45Å; L151-L168 HydrophobicContact CD2-CD1 4.3Å; L165-L168 HydrophobicContact CD1-CD1 3.91Å; L165-L168 WeakPolarHBondContact O-CB 3.05Å; L165-L168 PolarHBondContact O-N 3.34Å; G166-L168 PolarHBondContact O-N 3.41Å; L168-H170 PolarHBondContact O-N 3.48Å; L168-L171 HydrophobicContact CB-CB 3.99Å; L168-L171 HydrophobicContact CB-CD2 4.36Å; L168-L171 HydrophobicContact CD1-CD2 4.09Å; L168-L171 WeakPolarHBondContact O-CB 3.24Å; L168-L171 PolarHBondContact O-N 2.93Å; L168-L191 HydrophobicContact CB-CD2 3.77Å; L168-L191 WeakPolarHBondContact O-CD2 3.08Å
169	R	92.6	Very high	96.3	Very high	141 Å²	141	45.1 Å²	45.1	53%	0.532	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.9	-176.1	-64.5	-176.6	-174.8	-136.9	9.5	114.7	Q167 E192 A193	Q167-R169 PolarHBondContact O-N 3.49Å; R169-E192 WeakPolarHBondContact CD-OE1 3.27Å; R169-E192 IonicContact CZ-OE1 3.8Å; R169-E192 IonicContact NE-OE1 2.71Å; R169-E192 IonicContact NH1-OE1 3.69Å; R169-E192 PolarHBondContact NH1-OE1 2.75Å; R169-A193 WeakPolarHBondContact O-CB 3.43Å; R169-A193 PolarHBondContact O-N 3.06Å
170	H	95.1	Very high	96.4	Very high	126 Å²	126	46.4 Å²	46.4	58%	0.583	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	1.4	179.1	-59.6	-36.6	0	0	0	114.8	L148 L168 T172	L148-H170 CarbonylContact O-C 3.56Å; L168-H170 PolarHBondContact O-N 3.48Å; H170-T172 PolarHBondContact O-N 3.42Å
171	L	97.9	Very high	96.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.			trans	-71.1	114.4	-178.3	-167.9	72.4	0	0	0	111.3	L148 L151 L168 L174 L191 A193 L194	L148-L171 HydrophobicContact CB-CD1 4.05Å; L148-L171 WeakPolarHBondContact O-CA 3.12Å; L148-L171 PolarHBondContact O-N 2.83Å; L151-L171 HydrophobicContact CB-CD1 3.8Å; L168-L171 HydrophobicContact CB-CB 3.99Å; L168-L171 HydrophobicContact CB-CD2 4.36Å; L168-L171 HydrophobicContact CD1-CD2 4.09Å; L168-L171 WeakPolarHBondContact O-CB 3.24Å; L168-L171 PolarHBondContact O-N 2.93Å; L171-L174 HydrophobicContact CD2-CB 3.95Å; L171-L174 HydrophobicContact CD2-CD1 4.26Å; L171-L174 HydrophobicContact CD2-CD2 4.27Å; L171-L174 HydrophobicContact CD2-CG 4.39Å; L171-L191 HydrophobicContact CB-CD2 4.42Å; L171-L191 HydrophobicContact CD2-CD1 4.38Å; L171-L191 HydrophobicContact CD2-CD2 4.3Å; L171-A193 CarbonylContact O-C 3.19Å; L171-L194 HydrophobicContact CD2-CD1 4.32Å; L171-L194 HydrophobicContact CG-CD1 4.25Å; L171-L194 WeakPolarHBondContact O-CA 3.12Å; L171-L194 PolarHBondContact O-N 2.79Å
172	T	97.8	Very high	96.5	Very high	57 Å²	57	51 Å²	51	35%	0.35	24%	0.237	S	C	.	.			trans	-92.9	-29.2	177.9	48.5	0	0	0	0	113.6	K149 H170 A193 R195 D196	K149-T172 PolarHBondContact O-N 2.71Å; K149-T172 PolarHBondContact O-OG1 3.49Å; H170-T172 PolarHBondContact O-N 3.42Å; T172-A193 HydrophobicContact CG2-CB 4.14Å; T172-R195 PolarHBondContact O-N 3.48Å; T172-D196 PolarHBondContact O-N 3.29Å
173	E	98.4	Very high	96.4	Very high	71 Å²	71	54.6 Å²	54.6	33%	0.332	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	128.8	-178.4	-177.9	179.8	-178.9	0	0	111.4	K149 V150 L151 D196	K149-E173 PolarHBondContact O-N 3.44Å; K149-E173 VanDerWaalsContact O-N 3.1Å; V150-E173 HydrophobicContact CG1-CB 4.29Å; V150-E173 HydrophobicContact CG1-CG 4.44Å; V150-E173 HydrophobicContact CG2-CB 4.23Å; L151-E173 PolarHBondContact N-O 3.07Å; E173-D196 WeakPolarHBondContact CA-O 3.29Å; E173-D196 HydrophobicContact CB-CB 4.38Å; E173-D196 HydrophobicContact CG-CB 4.16Å
174	L	98.4	Very high	96.5	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	110	175.5	-179.3	57.3	0	0	0	110.7	L151 L165 L171 V176 L191 L194 D196 L197 N198	L151-L174 HydrophobicContact CB-CD1 4.09Å; L151-L174 HydrophobicContact CD2-CD1 3.96Å; L151-L174 HydrophobicContact CG-CD1 4.02Å; L151-L174 WeakPolarHBondContact O-CA 3.33Å; L165-L174 HydrophobicContact CD2-CD2 4.09Å; L171-L174 HydrophobicContact CD2-CB 3.95Å; L171-L174 HydrophobicContact CD2-CD1 4.26Å; L171-L174 HydrophobicContact CD2-CD2 4.27Å; L171-L174 HydrophobicContact CD2-CG 4.39Å; L174-V176 HydrophobicContact CD1-CG1 3.75Å; L174-V176 HydrophobicContact CG-CG1 4.21Å; L174-L191 HydrophobicContact CD2-CD1 4.38Å; L174-L194 HydrophobicContact CB-CD1 3.85Å; L174-D196 PolarHBondContact N-O 3.24Å; L174-L197 HydrophobicContact CB-CD1 4.1Å; L174-L197 HydrophobicContact CD2-CD1 3.93Å; L174-L197 HydrophobicContact CG-CD1 4.09Å; L174-N198 PolarHBondContact O-N 2.9Å
175	D	98.4	Very high	96.5	Very high	22 Å²	22	46.4 Å²	46.4	12%	0.118	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	107.2	172.3	176.5	28.6	0	0	0	111.2	L151 I152 A153 S154 S177 N198	L151-D175 PolarHBondContact O-N 3.49Å; I152-D175 HydrophobicContact CG1-CB 4.42Å; I152-D175 HydrophobicContact CG2-CB 4.28Å; A153-D175 CarbonylContact C-O 3.41Å; A153-D175 PolarHBondContact N-O 3.35Å; S154-D175 VanDerWaalsContact CB-CG 3.5Å; S154-D175 WeakPolarHBondContact CB-OD1 3.07Å; S154-D175 WeakPolarHBondContact CB-OD2 3.21Å; S154-D175 PolarHBondContact N-O 3.26Å; S154-D175 PolarHBondContact OG-OD2 3.29Å; D175-S177 WeakPolarHBondContact OD1-CB 3.46Å; D175-S177 PolarHBondContact OD1-N 2.9Å; D175-S177 PolarHBondContact OD1-OG 2.95Å; D175-N198 HydrophobicContact CB-CB 4.24Å; D175-N198 PolarHBondContact OD1-ND2 3.33Å
176	V	97.9	Very high	96.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	24%	0.244	C	C	.	.			trans	-118.7	24.3	173.4	-60.4	0	0	0	0	111.1	A153 L161 L174 N179 I181 N198 I199 N202	A153-V176 HydrophobicContact CB-CG1 4.48Å; L161-V176 HydrophobicContact CD1-CG1 4.5Å; L161-V176 HydrophobicContact CD1-CG2 4.42Å; L161-V176 HydrophobicContact CD2-CG1 4.09Å; L174-V176 HydrophobicContact CD1-CG1 3.75Å; L174-V176 HydrophobicContact CG-CG1 4.21Å; V176-N179 PolarHBondContact O-ND2 3.31Å; V176-I181 HydrophobicContact CB-CD1 3.91Å; V176-I181 HydrophobicContact CG2-CD1 3.74Å; V176-N198 PolarHBondContact N-O 3.3Å; V176-I199 HydrophobicContact CG2-CG2 3.71Å; V176-N202 PolarHBondContact O-ND2 3.45Å
177	S	98	Very high	96.6	Very high	12 Å²	12	51.2 Å²	51.2	8%	0.084	25%	0.252	C	S	.	.			trans	-65.1	157.9	-178.6	64.7	0	0	0	0	113.6	S154 N155 D175 N179 N198 R200	S154-S177 CarbonylContact C-O 3.49Å; S154-S177 WeakPolarHBondContact CA-O 3.45Å; S154-S177 WeakPolarHBondContact CB-O 3.5Å; S154-S177 WeakPolarHBondContact CB-OG 3.42Å; N155-S177 PolarHBondContact N-O 3.5Å; D175-S177 WeakPolarHBondContact OD1-CB 3.46Å; D175-S177 PolarHBondContact OD1-N 2.9Å; D175-S177 PolarHBondContact OD1-OG 2.95Å; S177-N179 PolarHBondContact O-ND2 3.29Å; S177-N198 WeakPolarHBondContact CB-OD1 3.47Å; S177-N198 PolarHBondContact N-O 2.98Å; S177-N198 PolarHBondContact OG-ND2 3.48Å; S177-R200 CarbonylContact C-O 3.41Å; S177-R200 WeakPolarHBondContact CA-O 3.38Å; S177-R200 WeakPolarHBondContact CB-O 3.45Å
178	C	97.9	Very high	96.6	Very high	41 Å²	41	45.9 Å²	45.9	28%	0.277	23%	0.228	S	C	.	.	S	Bend	trans	56.5	48.8	-177.6	-53	0	0	0	0	113	N155 R200 R201	N155-C178 WeakPolarHBondContact CA-O 3.43Å; N155-C178 HydrophobicContact CB-CB 4.23Å; N155-C178 PolarHBondContact N-O 3.21Å; C178-R200 PolarHBondContact N-O 3.49Å; C178-R201 CarbonylContact C-O 3.07Å; C178-R201 WeakPolarHBondContact CA-O 3.39Å; C178-R201 HydrophobicContact CB-CB 4.43Å; C178-R201 PolarHBondContact N-O 2.75Å; C178-R201 VanDerWaalsContact SG-CD 3.52Å
179	N	98.3	Very high	96.5	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.043	23%	0.232	C	C	.	.	S	Bend	trans	-121.7	-170.4	173.9	-84.1	-75.9	0	0	0	109.9	A153 N156 K157 L158 V176 S177 I181 R201 N202	A153-N179 PolarHBondContact O-ND2 3.44Å; A153-N179 VanDerWaalsContact O-ND2 3.16Å; N156-N179 WeakPolarHBondContact CA-OD1 3.09Å; N156-N179 WeakPolarHBondContact CB-OD1 3.3Å; N156-N179 PolarHBondContact N-OD1 3.31Å; N156-N179 PolarHBondContact O-OD1 2.93Å; K157-N179 PolarHBondContact N-OD1 3.2Å; L158-N179 HydrophobicContact CB-CB 4.16Å; L158-N179 WeakPolarHBondContact CB-OD1 3.25Å; L158-N179 WeakPolarHBondContact CG-OD1 3.33Å; L158-N179 PolarHBondContact N-OD1 3.16Å; V176-N179 PolarHBondContact O-ND2 3.31Å; S177-N179 PolarHBondContact O-ND2 3.29Å; N179-I181 HydrophobicContact CB-CD1 4.14Å; N179-I181 HydrophobicContact CB-CG1 3.96Å; N179-R201 PolarHBondContact N-O 3.38Å; N179-N202 VanDerWaalsContact CA-OD1 3.3Å; N179-N202 WeakPolarHBondContact CA-OD1 3.22Å; N179-N202 WeakPolarHBondContact CB-OD1 3.48Å; N179-N202 PolarHBondContact N-OD1 3.08Å; N179-N202 PolarHBondContact O-OD1 3.02Å
180	E	97.5	Very high	96.6	Very high	84 Å²	84	44.5 Å²	44.5	39%	0.393	23%	0.23	S	C	.	.			trans	-107	18.6	-178	-61.2	-176.9	-149.6	0	0	112.1	L158 R182	L158-E180 CarbonylContact O-C 3.58Å; L158-E180 WeakPolarHBondContact O-CA 3.44Å; L158-E180 PolarHBondContact O-N 2.78Å; E180-R182 PolarHBondContact O-N 2.66Å
181	I	97.8	Very high	96.6	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.202	C	C	.	.			trans	-65.3	122.6	-166.6	-57.3	170.5	0	0	0	110.8	L158 V159 L161 V176 N179 T183 L184 N202 H203 L204	L158-I181 HydrophobicContact CB-CD1 4.42Å; L158-I181 HydrophobicContact CB-CG1 4.14Å; L158-I181 VanDerWaalsContact O-CG1 3.26Å; L158-I181 WeakPolarHBondContact O-CG1 3.36Å; L158-I181 PolarHBondContact O-N 2.6Å; L158-I181 VanDerWaalsContact O-N 3.08Å; V159-I181 WeakPolarHBondContact O-CA 3.47Å; L161-I181 HydrophobicContact CD2-CD1 3.91Å; L161-I181 HydrophobicContact CG-CD1 4.12Å; V176-I181 HydrophobicContact CB-CD1 3.91Å; V176-I181 HydrophobicContact CG2-CD1 3.74Å; N179-I181 HydrophobicContact CB-CD1 4.14Å; N179-I181 HydrophobicContact CB-CG1 3.96Å; I181-T183 VanDerWaalsContact CG2-O 3.24Å; I181-T183 WeakPolarHBondContact CG2-O 3.38Å; I181-L184 HydrophobicContact CG2-CD2 4.33Å; I181-N202 HydrophobicContact CB-CB 4.23Å; I181-N202 VanDerWaalsContact CB-OD1 3.27Å; I181-N202 WeakPolarHBondContact CB-OD1 3.49Å; I181-N202 VanDerWaalsContact CG1-OD1 3.3Å; I181-N202 WeakPolarHBondContact CG1-OD1 3.34Å; I181-N202 PolarHBondContact N-OD1 3.21Å; I181-H203 CarbonylContact O-C 3.13Å; I181-H203 VanDerWaalsContact O-CA 3.28Å; I181-H203 WeakPolarHBondContact O-CA 3.2Å; I181-H203 PolarHBondContact O-N 3.27Å; I181-L204 HydrophobicContact CB-CD2 4.49Å; I181-L204 HydrophobicContact CG2-CD2 3.85Å; I181-L204 PolarHBondContact O-N 3.16Å; I181-L204 VanDerWaalsContact O-N 3.16Å
182	R	96	Very high	96.4	Very high	160 Å²	160	43.6 Å²	43.6	60%	0.604	23%	0.226	S	C	*	.			trans	-92.8	-32	-176.5	-57.6	-176.8	-176	-173.8	1.4	113.8	V159 E180 H203 L204	V159-R182 PolarHBondContact O-N 2.9Å; E180-R182 PolarHBondContact O-N 2.66Å; R182-H203 HydrophobicContact CG-CB 4.39Å; R182-L204 WeakPolarHBondContact O-CA 3.24Å
183	T	94.8	Very high	96.4	Very high	94 Å²	94	41.9 Å²	41.9	58%	0.577	22%	0.218	S	C	*	.			trans	-146.1	147	-179.8	46	0	0	0	0	109.4	I181	I181-T183 VanDerWaalsContact CG2-O 3.24Å; I181-T183 WeakPolarHBondContact CG2-O 3.38Å
184	L	96.1	Very high	96.3	Very high	17 Å²	17	38.5 Å²	38.5	9%	0.089	20%	0.202	C	C	.	.			trans	-94.8	142.4	165.2	-66.4	174.6	0	0	0	108.9	L161 I181 V188 I199 L204 P208 L211	L161-L184 HydrophobicContact CD1-CD2 3.8Å; I181-L184 HydrophobicContact CG2-CD2 4.33Å; L184-V188 HydrophobicContact CB-CG2 4.33Å; L184-I199 HydrophobicContact CD1-CD1 3.79Å; L184-I199 HydrophobicContact CD1-CG2 4.35Å; L184-I199 HydrophobicContact CD2-CG2 4.36Å; L184-L204 HydrophobicContact CD1-CD1 4.23Å; L184-L204 HydrophobicContact CG-CD1 4.25Å; L184-L204 HydrophobicContact CG-CD2 3.99Å; L184-P208 HydrophobicContact CB-CG 3.6Å; L184-P208 HydrophobicContact CD1-CG 4.33Å; L184-L211 HydrophobicContact CD1-CD1 4.25Å
185	P	95.4	Very high	96.3	Very high	19 Å²	19	43.3 Å²	43.3	12%	0.123	22%	0.22	C	C	.	.			trans	-68	153.4	171.9	25.8	-29.3	0	0	0	111.2	L161 E163 Q187 V188	L161-P185 HydrophobicContact CB-CG 4.3Å; E163-P185 HydrophobicContact CG-CB 4.23Å; P185-Q187 PolarHBondContact O-N 3.33Å; P185-V188 HydrophobicContact CG-CG2 3.88Å; P185-V188 WeakPolarHBondContact O-CG2 3.42Å; P185-V188 PolarHBondContact O-N 3.01Å
186	S	93.7	Very high	96.3	Very high	63 Å²	63	43.5 Å²	43.5	44%	0.441	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-66.6	-28.7	177.6	48.4	0	0	0	0	111.9	V188 G189 E210	S186-V188 PolarHBondContact O-N 2.91Å; S186-G189 PolarHBondContact O-N 2.93Å; S186-E210 WeakPolarHBondContact O-CB 3.49Å
187	Q	95.6	Very high	96.3	Very high	39 Å²	39	43.7 Å²	43.7	18%	0.182	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-59.5	-11.4	175.5	-63.7	87.8	-15.1	0	0	114.2	E163 G166 P185 G189 Q190	E163-Q187 WeakPolarHBondContact O-CB 3.12Å; E163-Q187 WeakPolarHBondContact O-CG 3.39Å; E163-Q187 PolarHBondContact OE2-NE2 2.96Å; G166-Q187 VanDerWaalsContact CA-O 3.28Å; G166-Q187 WeakPolarHBondContact CA-O 3.49Å; P185-Q187 PolarHBondContact O-N 3.33Å; Q187-G189 PolarHBondContact O-N 3Å; Q187-Q190 WeakPolarHBondContact O-CB 3.12Å; Q187-Q190 PolarHBondContact O-N 2.9Å
188	V	95.3	Very high	96.3	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-59.4	-27.8	169.6	-177.5	0	0	0	0	111.1	L165 L184 P185 S186 Q190 L191 L211 L214	L165-V188 HydrophobicContact CD2-CG2 3.86Å; L184-V188 HydrophobicContact CB-CG2 4.33Å; P185-V188 HydrophobicContact CG-CG2 3.88Å; P185-V188 WeakPolarHBondContact O-CG2 3.42Å; P185-V188 PolarHBondContact O-N 3.01Å; S186-V188 PolarHBondContact O-N 2.91Å; V188-Q190 PolarHBondContact O-N 2.63Å; V188-L191 HydrophobicContact CG1-CD1 3.89Å; V188-L191 WeakPolarHBondContact O-CB 3.38Å; V188-L191 WeakPolarHBondContact O-CG 3.36Å; V188-L191 PolarHBondContact O-N 3.31Å; V188-L211 HydrophobicContact CB-CD2 3.76Å; V188-L211 HydrophobicContact CG1-CD2 3.34Å; V188-L214 HydrophobicContact CG1-CD1 4.33Å
189	G	92.8	Very high	96.3	Very high	12 Å²	12	43.3 Å²	43.3	12%	0.124	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-63.7	-17.5	173.3	0	0	0	0	0	115	S186 Q187 L191 E210 L214	S186-G189 PolarHBondContact O-N 2.93Å; Q187-G189 PolarHBondContact O-N 3Å; G189-L191 PolarHBondContact O-N 2.72Å; G189-E210 WeakPolarHBondContact CA-O 3.45Å; G189-L214 VanDerWaalsContact O-CD2 3.26Å; G189-L214 WeakPolarHBondContact O-CD2 3.23Å
190	Q	95.1	Very high	96.3	Very high	104 Å²	104	46.8 Å²	46.8	49%	0.486	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-82.1	-0.1	179.7	-57.9	173.3	-5.2	0	0	113.2	Q187 V188 E192	Q187-Q190 WeakPolarHBondContact O-CB 3.12Å; Q187-Q190 PolarHBondContact O-N 2.9Å; V188-Q190 PolarHBondContact O-N 2.63Å; Q190-E192 VanDerWaalsContact C-N 3.25Å; Q190-E192 PolarHBondContact O-N 3.38Å
191	L	96.1	Very high	96.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.235	C	C	.	.			trans	-80.8	65.3	-179	-61.5	174.1	0	0	0	111.8	L165 L168 L171 L174 V188 G189 A193 L194 L214	L165-L191 HydrophobicContact CD2-CD1 4.33Å; L165-L191 HydrophobicContact CG-CD1 4.47Å; L165-L191 VanDerWaalsContact O-CD2 3.26Å; L165-L191 WeakPolarHBondContact O-CD2 3.49Å; L168-L191 HydrophobicContact CB-CD2 3.77Å; L168-L191 WeakPolarHBondContact O-CD2 3.08Å; L171-L191 HydrophobicContact CB-CD2 4.42Å; L171-L191 HydrophobicContact CD2-CD1 4.38Å; L171-L191 HydrophobicContact CD2-CD2 4.3Å; L174-L191 HydrophobicContact CD2-CD1 4.38Å; V188-L191 HydrophobicContact CG1-CD1 3.89Å; V188-L191 WeakPolarHBondContact O-CB 3.38Å; V188-L191 WeakPolarHBondContact O-CG 3.36Å; V188-L191 PolarHBondContact O-N 3.31Å; G189-L191 PolarHBondContact O-N 2.72Å; L191-A193 PolarHBondContact O-N 3Å; L191-L194 HydrophobicContact CB-CB 3.85Å; L191-L194 HydrophobicContact CB-CD2 4.35Å; L191-L194 HydrophobicContact CD1-CD2 3.91Å; L191-L194 VanDerWaalsContact O-CB 3.3Å; L191-L194 WeakPolarHBondContact O-CB 3.44Å; L191-L194 PolarHBondContact O-N 2.73Å; L191-L214 HydrophobicContact CB-CD2 4.05Å; L191-L214 WeakPolarHBondContact O-CD2 3.12Å
192	E	93.8	Very high	96.4	Very high	108 Å²	108	49.7 Å²	49.7	51%	0.505	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.2	-36.2	-175.6	-65.8	163.4	-151.3	0	0	114.9	R169 Q190 R195 P215	R169-E192 WeakPolarHBondContact CD-OE1 3.27Å; R169-E192 IonicContact CZ-OE1 3.8Å; R169-E192 IonicContact NE-OE1 2.71Å; R169-E192 IonicContact NH1-OE1 3.69Å; R169-E192 PolarHBondContact NH1-OE1 2.75Å; Q190-E192 VanDerWaalsContact C-N 3.25Å; Q190-E192 PolarHBondContact O-N 3.38Å; E192-R195 PolarHBondContact O-NH1 3.13Å; E192-P215 VanDerWaalsContact O-CG 3.26Å; E192-P215 WeakPolarHBondContact O-CG 3.48Å
193	A	96.4	Very high	96.4	Very high	20 Å²	20	45.8 Å²	45.8	17%	0.165	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-9.3	178.2	0	0	0	0	0	115.3	R169 L171 T172 L191 R195	R169-A193 WeakPolarHBondContact O-CB 3.43Å; R169-A193 PolarHBondContact O-N 3.06Å; L171-A193 CarbonylContact O-C 3.19Å; T172-A193 HydrophobicContact CG2-CB 4.14Å; L191-A193 PolarHBondContact O-N 3Å; A193-R195 WeakPolarHBondContact O-CG 3.02Å; A193-R195 PolarHBondContact O-N 2.88Å; A193-R195 PolarHBondContact O-NH1 3.02Å
194	L	97.9	Very high	96.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.197	C	C	.	.			trans	-69.1	121.4	-165.6	-166.2	71.5	0	0	0	112.7	L171 L174 L191 L197 L214 P215 L216	L171-L194 HydrophobicContact CD2-CD1 4.32Å; L171-L194 HydrophobicContact CG-CD1 4.25Å; L171-L194 WeakPolarHBondContact O-CA 3.12Å; L171-L194 PolarHBondContact O-N 2.79Å; L174-L194 HydrophobicContact CB-CD1 3.85Å; L191-L194 HydrophobicContact CB-CB 3.85Å; L191-L194 HydrophobicContact CB-CD2 4.35Å; L191-L194 HydrophobicContact CD1-CD2 3.91Å; L191-L194 VanDerWaalsContact O-CB 3.3Å; L191-L194 WeakPolarHBondContact O-CB 3.44Å; L191-L194 PolarHBondContact O-N 2.73Å; L194-L197 HydrophobicContact CD2-CB 4.05Å; L194-L197 HydrophobicContact CD2-CD1 4.28Å; L194-L197 HydrophobicContact CD2-CD2 4.27Å; L194-L197 HydrophobicContact CD2-CG 4.43Å; L194-L214 HydrophobicContact CD2-CD1 4.25Å; L194-P215 CarbonylContact O-C 3.49Å; L194-L216 HydrophobicContact CB-CD2 4.46Å; L194-L216 HydrophobicContact CD2-CD2 3.9Å; L194-L216 HydrophobicContact CG-CD2 3.91Å
195	R	97.7	Very high	96.5	Very high	104 Å²	104	44 Å²	44	39%	0.392	21%	0.214	S	C	.	.			trans	-110.2	-37.7	177.5	-57.4	-49.6	-168.3	-106.2	19.5	111.5	T172 E192 A193 P215 V217 R218	T172-R195 PolarHBondContact O-N 3.48Å; E192-R195 PolarHBondContact O-NH1 3.13Å; A193-R195 WeakPolarHBondContact O-CG 3.02Å; A193-R195 PolarHBondContact O-N 2.88Å; A193-R195 PolarHBondContact O-NH1 3.02Å; R195-P215 WeakPolarHBondContact CD-O 3.21Å; R195-V217 HydrophobicContact CB-CB 4.33Å; R195-V217 HydrophobicContact CB-CG2 4.11Å; R195-V217 HydrophobicContact CG-CG2 4.46Å; R195-V217 WeakPolarHBondContact O-CA 3.24Å; R195-V217 PolarHBondContact O-N 2.86Å; R195-R218 PolarHBondContact O-N 3.36Å
196	D	98.3	Very high	96.5	Very high	25 Å²	25	52.3 Å²	52.3	13%	0.134	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	114.6	-175.9	-68.4	-33.6	0	0	0	111.5	T172 E173 L174 R218	T172-D196 PolarHBondContact O-N 3.29Å; E173-D196 WeakPolarHBondContact CA-O 3.29Å; E173-D196 HydrophobicContact CB-CB 4.38Å; E173-D196 HydrophobicContact CG-CB 4.16Å; L174-D196 PolarHBondContact N-O 3.24Å; D196-R218 VanDerWaalsContact CG-NH2 3.31Å; D196-R218 WeakPolarHBondContact OD1-CB 3.4Å; D196-R218 WeakPolarHBondContact OD1-CG 3.39Å; D196-R218 IonicContact OD1-CZ 3.54Å; D196-R218 IonicContact OD1-NE 2.67Å; D196-R218 IonicContact OD1-NH1 2.72Å; D196-R218 PolarHBondContact OD1-NH1 2.97Å; D196-R218 IonicContact OD1-NH2 3.05Å; D196-R218 PolarHBondContact OD1-NH2 3.3Å; D196-R218 VanDerWaalsContact OD1-NH2 3.13Å; D196-R218 IonicContact OD2-CZ 2.96Å; D196-R218 IonicContact OD2-NH1 2.98Å; D196-R218 PolarHBondContact OD2-NH1 3.48Å; D196-R218 IonicContact OD2-NH2 3.31Å; D196-R218 PolarHBondContact OD2-NH2 2.88Å
197	L	98.4	Very high	96.5	Very high	6 Å²	6	49.9 Å²	49.9	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	113.2	178.3	-179.4	54.9	0	0	0	111.1	L174 L194 I199 L211 L216 R218 L219 D220	L174-L197 HydrophobicContact CB-CD1 4.1Å; L174-L197 HydrophobicContact CD2-CD1 3.93Å; L174-L197 HydrophobicContact CG-CD1 4.09Å; L194-L197 HydrophobicContact CD2-CB 4.05Å; L194-L197 HydrophobicContact CD2-CD1 4.28Å; L194-L197 HydrophobicContact CD2-CD2 4.27Å; L194-L197 HydrophobicContact CD2-CG 4.43Å; L197-I199 HydrophobicContact CD1-CG2 3.73Å; L197-I199 HydrophobicContact CG-CG2 4.08Å; L197-L211 HydrophobicContact CD2-CD1 4.11Å; L197-L211 HydrophobicContact CD2-CD2 4.45Å; L197-L216 HydrophobicContact CB-CD2 3.71Å; L197-L216 HydrophobicContact CD2-CD1 4.42Å; L197-R218 PolarHBondContact N-O 3.02Å; L197-L219 HydrophobicContact CB-CD1 4.11Å; L197-L219 HydrophobicContact CD2-CD1 3.9Å; L197-L219 HydrophobicContact CG-CD1 4.01Å; L197-L219 WeakPolarHBondContact O-CA 3.39Å; L197-D220 PolarHBondContact O-N 2.75Å
198	N	98.3	Very high	96.5	Very high	43 Å²	43	48.7 Å²	48.7	23%	0.23	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	106.8	176.5	-174.8	10.5	0	0	0	111.2	L174 D175 V176 S177 R200	L174-N198 PolarHBondContact O-N 2.9Å; D175-N198 HydrophobicContact CB-CB 4.24Å; D175-N198 PolarHBondContact OD1-ND2 3.33Å; V176-N198 PolarHBondContact N-O 3.3Å; S177-N198 WeakPolarHBondContact CB-OD1 3.47Å; S177-N198 PolarHBondContact N-O 2.98Å; S177-N198 PolarHBondContact OG-ND2 3.48Å; N198-R200 WeakPolarHBondContact OD1-CB 3.05Å; N198-R200 PolarHBondContact OD1-N 2.77Å
199	I	97.8	Very high	96.5	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	24%	0.242	C	C	.	.			trans	-118.8	15	179.6	55.9	-176.7	0	0	0	111.5	V176 L184 L197 N202 L204 L207 L219 D220 F221 N224	V176-I199 HydrophobicContact CG2-CG2 3.71Å; L184-I199 HydrophobicContact CD1-CD1 3.79Å; L184-I199 HydrophobicContact CD1-CG2 4.35Å; L184-I199 HydrophobicContact CD2-CG2 4.36Å; L197-I199 HydrophobicContact CD1-CG2 3.73Å; L197-I199 HydrophobicContact CG-CG2 4.08Å; I199-N202 PolarHBondContact O-ND2 3.4Å; I199-L204 HydrophobicContact CB-CD1 4.05Å; I199-L204 HydrophobicContact CD1-CD1 3.76Å; I199-L204 HydrophobicContact CG1-CD1 4.13Å; I199-L207 HydrophobicContact CD1-CD2 3.99Å; I199-L219 HydrophobicContact CD1-CD1 4.23Å; I199-D220 CarbonylContact C-O 3.08Å; I199-D220 WeakPolarHBondContact CA-O 3.3Å; I199-D220 WeakPolarHBondContact CG1-O 3.25Å; I199-D220 PolarHBondContact N-O 3.23Å; I199-F221 HydrophobicContact CD1-CB 3.85Å; I199-F221 HydrophobicContact CG1-CB 3.69Å; I199-N224 PolarHBondContact O-ND2 2.88Å
200	R	98.1	Very high	96.6	Very high	81 Å²	81	53.6 Å²	53.6	31%	0.306	25%	0.248	S	C	.	.			trans	-52.8	145.5	177.4	172.9	171.2	174.7	109.6	-9.6	113	S177 C178 N198 N202 D220 S222	S177-R200 CarbonylContact C-O 3.41Å; S177-R200 WeakPolarHBondContact CA-O 3.38Å; S177-R200 WeakPolarHBondContact CB-O 3.45Å; C178-R200 PolarHBondContact N-O 3.49Å; N198-R200 WeakPolarHBondContact OD1-CB 3.05Å; N198-R200 PolarHBondContact OD1-N 2.77Å; R200-N202 PolarHBondContact O-ND2 3.04Å; R200-D220 VanDerWaalsContact CD-OD2 3.29Å; R200-D220 WeakPolarHBondContact CD-OD2 3.31Å; R200-D220 PolarHBondContact N-O 3.08Å; R200-D220 VanDerWaalsContact N-O 3.1Å; R200-S222 CarbonylContact C-O 3.53Å; R200-S222 VanDerWaalsContact CA-O 3.24Å; R200-S222 WeakPolarHBondContact CA-O 3.38Å; R200-S222 WeakPolarHBondContact CD-OG 3.48Å; R200-S222 WeakPolarHBondContact CG-OG 3.42Å; R200-S222 PolarHBondContact NH1-OG 2.94Å
201	R	97.7	Very high	96.7	Very high	142 Å²	142	48.7 Å²	48.7	54%	0.536	22%	0.224	S	C	.	.	S	Bend	trans	53.4	60.2	177.6	-72.4	177.1	166.3	-168	-5.9	112.1	C178 N179 S222 C223	C178-R201 CarbonylContact C-O 3.07Å; C178-R201 WeakPolarHBondContact CA-O 3.39Å; C178-R201 HydrophobicContact CB-CB 4.43Å; C178-R201 PolarHBondContact N-O 2.75Å; C178-R201 VanDerWaalsContact SG-CD 3.52Å; N179-R201 PolarHBondContact N-O 3.38Å; R201-S222 PolarHBondContact N-O 3.34Å; R201-C223 WeakPolarHBondContact CA-O 3.16Å; R201-C223 HydrophobicContact CB-CB 4.3Å; R201-C223 HydrophobicContact CG-CB 3.44Å; R201-C223 VanDerWaalsContact CG-CB 3.44Å
202	N	98.2	Very high	96.5	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.021	23%	0.231	C	C	.	.	S	Bend	trans	-123.7	-161.7	170.4	-86.3	-73.4	0	0	0	109	V176 N179 I181 I199 R200 L204 N224	V176-N202 PolarHBondContact O-ND2 3.45Å; N179-N202 VanDerWaalsContact CA-OD1 3.3Å; N179-N202 WeakPolarHBondContact CA-OD1 3.22Å; N179-N202 WeakPolarHBondContact CB-OD1 3.48Å; N179-N202 PolarHBondContact N-OD1 3.08Å; N179-N202 PolarHBondContact O-OD1 3.02Å; I181-N202 HydrophobicContact CB-CB 4.23Å; I181-N202 VanDerWaalsContact CB-OD1 3.27Å; I181-N202 WeakPolarHBondContact CB-OD1 3.49Å; I181-N202 VanDerWaalsContact CG1-OD1 3.3Å; I181-N202 WeakPolarHBondContact CG1-OD1 3.34Å; I181-N202 PolarHBondContact N-OD1 3.21Å; I199-N202 PolarHBondContact O-ND2 3.4Å; R200-N202 PolarHBondContact O-ND2 3.04Å; N202-L204 HydrophobicContact CB-CG 4.21Å; N202-N224 WeakPolarHBondContact CA-OD1 3.29Å; N202-N224 WeakPolarHBondContact CB-OD1 3.46Å; N202-N224 PolarHBondContact N-OD1 2.54Å; N202-N224 PolarHBondContact O-OD1 3.17Å
203	H	97.2	Very high	96.5	Very high	78 Å²	78	51.6 Å²	51.6	36%	0.361	24%	0.241	S	C	.	.			trans	-118.9	24.3	178.7	-68.6	-7.7	0	0	0	112.6	I181 R182 V205 N224	I181-H203 CarbonylContact O-C 3.13Å; I181-H203 VanDerWaalsContact O-CA 3.28Å; I181-H203 WeakPolarHBondContact O-CA 3.2Å; I181-H203 PolarHBondContact O-N 3.27Å; R182-H203 HydrophobicContact CG-CB 4.39Å; H203-V205 PolarHBondContact O-N 3.24Å; H203-N224 PolarHBondContact N-OD1 2.9Å
204	L	97.1	Very high	96.4	Very high	1 Å²	1	51 Å²	51	1%	0.005	24%	0.235	C	C	.	.			trans	-62.5	124.1	-177.8	-60.3	175.6	0	0	0	111.1	I181 R182 L184 I199 N202 L207 N224 K225 V226	I181-L204 HydrophobicContact CB-CD2 4.49Å; I181-L204 HydrophobicContact CG2-CD2 3.85Å; I181-L204 PolarHBondContact O-N 3.16Å; I181-L204 VanDerWaalsContact O-N 3.16Å; R182-L204 WeakPolarHBondContact O-CA 3.24Å; L184-L204 HydrophobicContact CD1-CD1 4.23Å; L184-L204 HydrophobicContact CG-CD1 4.25Å; L184-L204 HydrophobicContact CG-CD2 3.99Å; I199-L204 HydrophobicContact CB-CD1 4.05Å; I199-L204 HydrophobicContact CD1-CD1 3.76Å; I199-L204 HydrophobicContact CG1-CD1 4.13Å; N202-L204 HydrophobicContact CB-CG 4.21Å; L204-L207 HydrophobicContact CD1-CD2 4.15Å; L204-N224 HydrophobicContact CB-CB 4.28Å; L204-N224 WeakPolarHBondContact CB-OD1 3.45Å; L204-N224 WeakPolarHBondContact CG-OD1 3.49Å; L204-N224 PolarHBondContact N-OD1 2.92Å; L204-K225 CarbonylContact O-C 3.23Å; L204-K225 VanDerWaalsContact O-CA 3.24Å; L204-K225 WeakPolarHBondContact O-CA 3.47Å; L204-K225 WeakPolarHBondContact O-CB 3.38Å; L204-K225 PolarHBondContact O-N 3.39Å; L204-V226 HydrophobicContact CB-CG2 4.22Å; L204-V226 PolarHBondContact O-N 3.08Å; L204-V226 VanDerWaalsContact O-N 3.1Å
205	V	95.6	Very high	96.3	Very high	74 Å²	74	52.5 Å²	52.5	45%	0.448	25%	0.245	S	C	.	.	S	Bend	trans	-95.8	-29.8	177.1	-177.6	0	0	0	0	112	H203 K225 V226 T227	H203-V205 PolarHBondContact O-N 3.24Å; V205-K225 HydrophobicContact CG2-CB 4.25Å; V205-V226 WeakPolarHBondContact O-CA 3.26Å; V205-T227 PolarHBondContact O-N 3.32Å
206	R	94.6	Very high	96.2	Very high	193 Å²	193	47.6 Å²	47.6	73%	0.728	23%	0.226	S	C	*	.	S	Bend	trans	-135.3	158.8	173.6	-53.7	-166.3	-53.7	175.9	6.4	109.1
207	L	95.4	Very high	96.2	Very high	11 Å²	11	47.6 Å²	47.6	6%	0.058	23%	0.227	C	C	.	.			trans	-104.9	145.5	168.4	-54.6	172.4	0	0	0	109.1	I199 L204 F221 V226 Y233	I199-L207 HydrophobicContact CD1-CD2 3.99Å; L204-L207 HydrophobicContact CD1-CD2 4.15Å; L207-F221 HydrophobicContact CD1-CD1 4.11Å; L207-F221 HydrophobicContact CD1-CD2 4.02Å; L207-F221 HydrophobicContact CD1-CE1 4.11Å; L207-F221 HydrophobicContact CD1-CE2 4.03Å; L207-F221 HydrophobicContact CD1-CG 4.05Å; L207-F221 HydrophobicContact CD1-CZ 4.06Å; L207-F221 HydrophobicContact CD2-CB 4.31Å; L207-F221 HydrophobicContact CD2-CG 4.46Å; L207-V226 HydrophobicContact CD1-CG1 4.21Å; L207-V226 HydrophobicContact CD2-CG2 3.93Å; L207-V226 HydrophobicContact CG-CG1 4.02Å; L207-V226 HydrophobicContact CG-CG2 4.04Å; L207-Y233 HydrophobicContact CB-CE2 4.35Å; L207-Y233 WeakPolarHBondContact CB-OH 3.06Å; L207-Y233 HydrophobicContact CD1-CE2 3.97Å
208	P	95.6	Very high	96.2	Very high	15 Å²	15	53.5 Å²	53.5	10%	0.097	25%	0.249	C	C	.	.			trans	-64.2	148.3	178.6	-15.3	27.1	0	0	0	112	L184 E210 L211 Y233	L184-P208 HydrophobicContact CB-CG 3.6Å; L184-P208 HydrophobicContact CD1-CG 4.33Å; P208-E210 WeakPolarHBondContact CB-OE2 3.25Å; P208-E210 PolarHBondContact O-N 2.78Å; P208-L211 HydrophobicContact CB-CG 4.26Å; P208-L211 HydrophobicContact CG-CD2 4.32Å; P208-L211 HydrophobicContact CG-CG 4.15Å; P208-Y233 VanDerWaalsContact O-CE1 3.22Å; P208-Y233 WeakPolarHBondContact O-CE1 3.43Å; P208-Y233 PolarHBondContact O-OH 2.98Å
209	S	94.7	Very high	96.2	Very high	63 Å²	63	51.5 Å²	51.5	44%	0.441	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-62.9	-32.7	172.9	4.7	0	0	0	0	111.6	L211 A212 C232	S209-L211 VanDerWaalsContact C-N 3.27Å; S209-L211 PolarHBondContact O-N 3.16Å; S209-A212 VanDerWaalsContact O-CB 3.25Å; S209-A212 WeakPolarHBondContact O-CB 3.3Å; S209-A212 PolarHBondContact O-N 2.94Å; S209-A212 VanDerWaalsContact O-N 3.14Å; S209-C232 PolarHBondContact O-SG 2.74Å
210	E	95.6	Very high	96.2	Very high	53 Å²	53	52.9 Å²	52.9	25%	0.248	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-74.4	-16.5	-167.4	-56.7	67.3	-134.4	0	0	111.9	S186 G189 P208 A212 E213	S186-E210 WeakPolarHBondContact O-CB 3.49Å; G189-E210 WeakPolarHBondContact CA-O 3.45Å; P208-E210 WeakPolarHBondContact CB-OE2 3.25Å; P208-E210 PolarHBondContact O-N 2.78Å; E210-A212 PolarHBondContact O-N 3.11Å; E210-A212 VanDerWaalsContact O-N 3.16Å; E210-E213 PolarHBondContact O-N 3.26Å
211	L	95.4	Very high	96.1	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-63.4	-18.5	170.5	-53.9	-167.5	0	0	0	112.3	L184 V188 L197 P208 S209 E213 L214 Y233 L236	L184-L211 HydrophobicContact CD1-CD1 4.25Å; V188-L211 HydrophobicContact CB-CD2 3.76Å; V188-L211 HydrophobicContact CG1-CD2 3.34Å; L197-L211 HydrophobicContact CD2-CD1 4.11Å; L197-L211 HydrophobicContact CD2-CD2 4.45Å; P208-L211 HydrophobicContact CB-CG 4.26Å; P208-L211 HydrophobicContact CG-CD2 4.32Å; P208-L211 HydrophobicContact CG-CG 4.15Å; S209-L211 VanDerWaalsContact C-N 3.27Å; S209-L211 PolarHBondContact O-N 3.16Å; L211-E213 PolarHBondContact O-N 2.91Å; L211-L214 HydrophobicContact CB-CD1 4.34Å; L211-L214 HydrophobicContact CD2-CD1 3.82Å; L211-L214 WeakPolarHBondContact O-CB 3.47Å; L211-L214 PolarHBondContact O-N 2.95Å; L211-Y233 HydrophobicContact CB-CE1 4.19Å; L211-Y233 WeakPolarHBondContact CB-OH 3.49Å; L211-Y233 WeakPolarHBondContact CD1-OH 3.35Å; L211-L236 WeakPolarHBondContact O-CD2 3.26Å
212	A	93.8	Very high	96.1	Very high	17 Å²	17	42.2 Å²	42.2	14%	0.14	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-68	-20.7	177.7	0	0	0	0	0	114.1	S209 E210 L214 C232 Y233	S209-A212 VanDerWaalsContact O-CB 3.25Å; S209-A212 WeakPolarHBondContact O-CB 3.3Å; S209-A212 PolarHBondContact O-N 2.94Å; S209-A212 VanDerWaalsContact O-N 3.14Å; E210-A212 PolarHBondContact O-N 3.11Å; E210-A212 VanDerWaalsContact O-N 3.16Å; A212-L214 VanDerWaalsContact C-N 3.32Å; A212-C232 HydrophobicContact CB-CB 3.87Å; A212-C232 WeakPolarHBondContact CB-O 3.1Å; A212-Y233 HydrophobicContact CB-CD1 3.97Å; A212-Y233 HydrophobicContact CB-CE1 4.41Å
213	E	92	Very high	96.1	Very high	152 Å²	152	43.6 Å²	43.6	71%	0.71	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-81.3	-16.5	178.8	-65	166.9	-160.3	0	0	111.8	E210 L211	E210-E213 PolarHBondContact O-N 3.26Å; L211-E213 PolarHBondContact O-N 2.91Å
214	L	95.3	Very high	96.1	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.037	20%	0.2	C	C	.	.	S	Bend	trans	-79.9	138.1	-174.6	-61.9	174.5	0	0	0	112.4	V188 G189 L191 L194 L211 A212 L216 L236	V188-L214 HydrophobicContact CG1-CD1 4.33Å; G189-L214 VanDerWaalsContact O-CD2 3.26Å; G189-L214 WeakPolarHBondContact O-CD2 3.23Å; L191-L214 HydrophobicContact CB-CD2 4.05Å; L191-L214 WeakPolarHBondContact O-CD2 3.12Å; L194-L214 HydrophobicContact CD2-CD1 4.25Å; L211-L214 HydrophobicContact CB-CD1 4.34Å; L211-L214 HydrophobicContact CD2-CD1 3.82Å; L211-L214 WeakPolarHBondContact O-CB 3.47Å; L211-L214 PolarHBondContact O-N 2.95Å; A212-L214 VanDerWaalsContact C-N 3.32Å; L214-L216 HydrophobicContact CB-CD1 4.24Å; L214-L216 HydrophobicContact CB-CG 3.81Å; L214-L216 HydrophobicContact CD1-CD1 4.31Å; L214-L216 HydrophobicContact CD1-CG 4.4Å; L214-L216 PolarHBondContact O-N 3.32Å; L214-L236 VanDerWaalsContact O-CD2 3.25Å; L214-L236 WeakPolarHBondContact O-CD2 3.06Å
215	P	95	Very high	96.1	Very high	33 Å²	33	45.4 Å²	45.4	21%	0.214	22%	0.222	C	C	.	.			trans	-76.2	44.5	173.9	34.4	-38.3	0	0	0	112.9	E192 L194 R195 V217 Q238	E192-P215 VanDerWaalsContact O-CG 3.26Å; E192-P215 WeakPolarHBondContact O-CG 3.48Å; L194-P215 CarbonylContact O-C 3.49Å; R195-P215 WeakPolarHBondContact CD-O 3.21Å; P215-V217 PolarHBondContact O-N 3.25Å; P215-Q238 HydrophobicContact CB-CG 4.42Å
216	L	97.1	Very high	96.2	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.201	C	C	.	.			trans	-59.3	134.9	-180	-70.6	172.5	0	0	0	111.3	L194 L197 L214 L219 L236 Q238 L239	L194-L216 HydrophobicContact CB-CD2 4.46Å; L194-L216 HydrophobicContact CD2-CD2 3.9Å; L194-L216 HydrophobicContact CG-CD2 3.91Å; L197-L216 HydrophobicContact CB-CD2 3.71Å; L197-L216 HydrophobicContact CD2-CD1 4.42Å; L214-L216 HydrophobicContact CB-CD1 4.24Å; L214-L216 HydrophobicContact CB-CG 3.81Å; L214-L216 HydrophobicContact CD1-CD1 4.31Å; L214-L216 HydrophobicContact CD1-CG 4.4Å; L214-L216 PolarHBondContact O-N 3.32Å; L216-L219 HydrophobicContact CD1-CD1 4.37Å; L216-L219 HydrophobicContact CD1-CD2 4.49Å; L216-L236 HydrophobicContact CB-CD2 4.32Å; L216-L236 HydrophobicContact CD1-CD2 4.34Å; L216-Q238 CarbonylContact O-C 3.18Å; L216-L239 HydrophobicContact CB-CD1 3.85Å; L216-L239 WeakPolarHBondContact O-CA 3.26Å; L216-L239 PolarHBondContact O-N 3.31Å
217	V	97.6	Very high	96.2	Very high	25 Å²	25	34.9 Å²	34.9	15%	0.152	18%	0.179	C	C	.	.	S	Bend	trans	-102.8	-37.3	173.3	176.8	0	0	0	0	110.4	R195 P215 Q240 A241	R195-V217 HydrophobicContact CB-CB 4.33Å; R195-V217 HydrophobicContact CB-CG2 4.11Å; R195-V217 HydrophobicContact CG-CG2 4.46Å; R195-V217 WeakPolarHBondContact O-CA 3.24Å; R195-V217 PolarHBondContact O-N 2.86Å; P215-V217 PolarHBondContact O-N 3.25Å; V217-Q240 HydrophobicContact CG1-CB 4.15Å; V217-Q240 HydrophobicContact CG1-CG 3.93Å; V217-Q240 PolarHBondContact O-N 3.14Å; V217-A241 PolarHBondContact O-N 3.04Å
218	R	97.8	Very high	96.2	Very high	129 Å²	129	36.8 Å²	36.8	49%	0.487	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.7	172.9	-51.7	-172.5	-131.1	95.7	28.8	111.5	R195 D196 L197 A241	R195-R218 PolarHBondContact O-N 3.36Å; D196-R218 VanDerWaalsContact CG-NH2 3.31Å; D196-R218 WeakPolarHBondContact OD1-CB 3.4Å; D196-R218 WeakPolarHBondContact OD1-CG 3.39Å; D196-R218 IonicContact OD1-CZ 3.54Å; D196-R218 IonicContact OD1-NE 2.67Å; D196-R218 IonicContact OD1-NH1 2.72Å; D196-R218 PolarHBondContact OD1-NH1 2.97Å; D196-R218 IonicContact OD1-NH2 3.05Å; D196-R218 PolarHBondContact OD1-NH2 3.3Å; D196-R218 VanDerWaalsContact OD1-NH2 3.13Å; D196-R218 IonicContact OD2-CZ 2.96Å; D196-R218 IonicContact OD2-NH1 2.98Å; D196-R218 PolarHBondContact OD2-NH1 3.48Å; D196-R218 IonicContact OD2-NH2 3.31Å; D196-R218 PolarHBondContact OD2-NH2 2.88Å; L197-R218 PolarHBondContact N-O 3.02Å; R218-A241 WeakPolarHBondContact CA-O 3.49Å; R218-A241 HydrophobicContact CB-CB 4.37Å; R218-A241 HydrophobicContact CG-CB 4.1Å
219	L	97.8	Very high	96.2	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	113.5	176.4	176.6	61.2	0	0	0	109.8	L197 I199 L216 F221 Y233 L239 A241 I242 V243	L197-L219 HydrophobicContact CB-CD1 4.11Å; L197-L219 HydrophobicContact CD2-CD1 3.9Å; L197-L219 HydrophobicContact CG-CD1 4.01Å; L197-L219 WeakPolarHBondContact O-CA 3.39Å; I199-L219 HydrophobicContact CD1-CD1 4.23Å; L216-L219 HydrophobicContact CD1-CD1 4.37Å; L216-L219 HydrophobicContact CD1-CD2 4.49Å; L219-F221 HydrophobicContact CD2-CD1 4.3Å; L219-F221 HydrophobicContact CD2-CE1 4.46Å; L219-F221 HydrophobicContact CG-CD1 4.11Å; L219-Y233 HydrophobicContact CD2-CE2 4.39Å; L219-L239 HydrophobicContact CB-CD1 3.79Å; L219-A241 PolarHBondContact N-O 2.92Å; L219-I242 WeakPolarHBondContact O-CA 3.29Å; L219-V243 PolarHBondContact O-N 2.81Å
220	D	97.9	Very high	96.3	Very high	29 Å²	29	34.7 Å²	34.7	16%	0.155	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	111.8	172.7	-171.6	-9.3	0	0	0	110.9	L197 I199 R200 S222 V243	L197-D220 PolarHBondContact O-N 2.75Å; I199-D220 CarbonylContact C-O 3.08Å; I199-D220 WeakPolarHBondContact CA-O 3.3Å; I199-D220 WeakPolarHBondContact CG1-O 3.25Å; I199-D220 PolarHBondContact N-O 3.23Å; R200-D220 VanDerWaalsContact CD-OD2 3.29Å; R200-D220 WeakPolarHBondContact CD-OD2 3.31Å; R200-D220 PolarHBondContact N-O 3.08Å; R200-D220 VanDerWaalsContact N-O 3.1Å; D220-S222 VanDerWaalsContact OD1-CB 3.24Å; D220-S222 WeakPolarHBondContact OD1-CB 3.4Å; D220-S222 PolarHBondContact OD1-N 2.92Å; D220-S222 PolarHBondContact OD1-OG 3.32Å; D220-V243 WeakPolarHBondContact CA-O 3.44Å; D220-V243 HydrophobicContact CB-CB 4Å
221	F	97.5	Very high	96.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.			trans	-120	18.5	172.2	66.5	-86.7	0	0	0	112.9	I199 L207 L219 N224 V226 I229 I242 V243 L244 N247	I199-F221 HydrophobicContact CD1-CB 3.85Å; I199-F221 HydrophobicContact CG1-CB 3.69Å; L207-F221 HydrophobicContact CD1-CD1 4.11Å; L207-F221 HydrophobicContact CD1-CD2 4.02Å; L207-F221 HydrophobicContact CD1-CE1 4.11Å; L207-F221 HydrophobicContact CD1-CE2 4.03Å; L207-F221 HydrophobicContact CD1-CG 4.05Å; L207-F221 HydrophobicContact CD1-CZ 4.06Å; L207-F221 HydrophobicContact CD2-CB 4.31Å; L207-F221 HydrophobicContact CD2-CG 4.46Å; L219-F221 HydrophobicContact CD2-CD1 4.3Å; L219-F221 HydrophobicContact CD2-CE1 4.46Å; L219-F221 HydrophobicContact CG-CD1 4.11Å; F221-N224 WeakPolarHBondContact O-CB 3.4Å; F221-N224 PolarHBondContact O-ND2 2.93Å; F221-V226 HydrophobicContact CD2-CB 4.28Å; F221-V226 HydrophobicContact CD2-CG2 3.97Å; F221-V226 HydrophobicContact CE2-CB 4.31Å; F221-V226 HydrophobicContact CE2-CG1 4.25Å; F221-V226 HydrophobicContact CE2-CG2 4.46Å; F221-I229 HydrophobicContact CZ-CD1 4.01Å; F221-I229 HydrophobicContact CZ-CG1 4.14Å; F221-I242 HydrophobicContact CE1-CD1 4.1Å; F221-I242 HydrophobicContact CE1-CG1 3.95Å; F221-V243 PolarHBondContact N-O 3.2Å; F221-L244 HydrophobicContact CD1-CB 4.49Å; F221-L244 HydrophobicContact CD2-CB 4.35Å; F221-L244 HydrophobicContact CE1-CB 3.84Å; F221-L244 HydrophobicContact CE2-CB 3.67Å; F221-L244 HydrophobicContact CZ-CB 3.39Å; F221-L244 HydrophobicContact CZ-CD2 4.37Å; F221-N247 PolarHBondContact O-ND2 2.84Å
222	S	97.3	Very high	96.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.			trans	-58.6	155.3	177.6	60	0	0	0	0	113.4	R200 R201 D220 N224 V243 D245	R200-S222 CarbonylContact C-O 3.53Å; R200-S222 VanDerWaalsContact CA-O 3.24Å; R200-S222 WeakPolarHBondContact CA-O 3.38Å; R200-S222 WeakPolarHBondContact CD-OG 3.48Å; R200-S222 WeakPolarHBondContact CG-OG 3.42Å; R200-S222 PolarHBondContact NH1-OG 2.94Å; R201-S222 PolarHBondContact N-O 3.34Å; D220-S222 VanDerWaalsContact OD1-CB 3.24Å; D220-S222 WeakPolarHBondContact OD1-CB 3.4Å; D220-S222 PolarHBondContact OD1-N 2.92Å; D220-S222 PolarHBondContact OD1-OG 3.32Å; S222-N224 PolarHBondContact O-N 2.99Å; S222-N224 PolarHBondContact O-ND2 3.07Å; S222-V243 PolarHBondContact N-O 3.13Å; S222-D245 CarbonylContact C-O 3.53Å; S222-D245 WeakPolarHBondContact CA-O 3.47Å; S222-D245 WeakPolarHBondContact CB-O 3.5Å
223	C	97.3	Very high	96.3	Very high	32 Å²	32	36.3 Å²	36.3	22%	0.216	19%	0.191	C	C	.	.	S	Bend	trans	58.4	40.7	-177.7	-46	0	0	0	0	113.6	R201 D245 N246	R201-C223 WeakPolarHBondContact CA-O 3.16Å; R201-C223 HydrophobicContact CB-CB 4.3Å; R201-C223 HydrophobicContact CG-CB 3.44Å; R201-C223 VanDerWaalsContact CG-CB 3.44Å; C223-D245 PolarHBondContact N-O 2.83Å; C223-N246 VanDerWaalsContact CA-O 3.3Å; C223-N246 WeakPolarHBondContact CA-O 3.25Å; C223-N246 PolarHBondContact N-O 3.32Å
224	N	97.8	Very high	96.4	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.053	18%	0.179	C	C	.	.	S	Bend	trans	-112.8	-163.8	173.4	-85.7	-80.9	0	0	0	110.2	I199 N202 H203 L204 F221 S222 V226 N247	I199-N224 PolarHBondContact O-ND2 2.88Å; N202-N224 WeakPolarHBondContact CA-OD1 3.29Å; N202-N224 WeakPolarHBondContact CB-OD1 3.46Å; N202-N224 PolarHBondContact N-OD1 2.54Å; N202-N224 PolarHBondContact O-OD1 3.17Å; H203-N224 PolarHBondContact N-OD1 2.9Å; L204-N224 HydrophobicContact CB-CB 4.28Å; L204-N224 WeakPolarHBondContact CB-OD1 3.45Å; L204-N224 WeakPolarHBondContact CG-OD1 3.49Å; L204-N224 PolarHBondContact N-OD1 2.92Å; F221-N224 WeakPolarHBondContact O-CB 3.4Å; F221-N224 PolarHBondContact O-ND2 2.93Å; S222-N224 PolarHBondContact O-N 2.99Å; S222-N224 PolarHBondContact O-ND2 3.07Å; N224-V226 HydrophobicContact CB-CG2 4.04Å; N224-N247 VanDerWaalsContact CA-OD1 3.26Å; N224-N247 WeakPolarHBondContact CA-OD1 3.5Å; N224-N247 WeakPolarHBondContact CB-OD1 3.26Å; N224-N247 PolarHBondContact N-OD1 2.91Å; N224-N247 PolarHBondContact O-OD1 3.1Å
225	K	97	Very high	96.2	Very high	108 Å²	108	36.5 Å²	36.5	47%	0.47	20%	0.197	S	C	.	.			trans	-115.6	23.3	177.8	-61.9	176.6	-178.9	173.1	0	111.6	L204 V205 T227 N247	L204-K225 CarbonylContact O-C 3.23Å; L204-K225 VanDerWaalsContact O-CA 3.24Å; L204-K225 WeakPolarHBondContact O-CA 3.47Å; L204-K225 WeakPolarHBondContact O-CB 3.38Å; L204-K225 PolarHBondContact O-N 3.39Å; V205-K225 HydrophobicContact CG2-CB 4.25Å; K225-T227 PolarHBondContact O-N 3.41Å; K225-N247 PolarHBondContact N-OD1 3.43Å
226	V	96.9	Very high	96.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.			trans	-67.6	123.1	-173.3	-178.9	0	0	0	0	110.2	L204 V205 L207 F221 N224 S228 N247 P248 L249	L204-V226 HydrophobicContact CB-CG2 4.22Å; L204-V226 PolarHBondContact O-N 3.08Å; L204-V226 VanDerWaalsContact O-N 3.1Å; V205-V226 WeakPolarHBondContact O-CA 3.26Å; L207-V226 HydrophobicContact CD1-CG1 4.21Å; L207-V226 HydrophobicContact CD2-CG2 3.93Å; L207-V226 HydrophobicContact CG-CG1 4.02Å; L207-V226 HydrophobicContact CG-CG2 4.04Å; F221-V226 HydrophobicContact CD2-CB 4.28Å; F221-V226 HydrophobicContact CD2-CG2 3.97Å; F221-V226 HydrophobicContact CE2-CB 4.31Å; F221-V226 HydrophobicContact CE2-CG1 4.25Å; F221-V226 HydrophobicContact CE2-CG2 4.46Å; N224-V226 HydrophobicContact CB-CG2 4.04Å; V226-S228 VanDerWaalsContact CG1-O 3.23Å; V226-S228 WeakPolarHBondContact CG1-O 3.46Å; V226-N247 HydrophobicContact CB-CB 4.45Å; V226-N247 WeakPolarHBondContact CB-OD1 3.49Å; V226-N247 PolarHBondContact N-OD1 2.81Å; V226-P248 CarbonylContact O-C 3.18Å; V226-P248 WeakPolarHBondContact O-CD 3.31Å; V226-L249 HydrophobicContact CB-CD2 4.43Å; V226-L249 HydrophobicContact CG1-CD2 3.96Å; V226-L249 WeakPolarHBondContact O-CD2 3.47Å
227	T	95.4	Very high	95.8	Very high	45 Å²	45	40.2 Å²	40.2	28%	0.276	22%	0.22	S	C	.	.			trans	-92.9	-25.7	179.8	55.1	0	0	0	0	113.7	V205 K225 P248 Q250	V205-T227 PolarHBondContact O-N 3.32Å; K225-T227 PolarHBondContact O-N 3.41Å; T227-P248 HydrophobicContact CG2-CG 4.4Å; T227-Q250 PolarHBondContact O-N 3.42Å
228	S	95.8	Very high	95.7	Very high	51 Å²	51	44.4 Å²	44.4	36%	0.357	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-148.8	154.2	174.7	60.3	0	0	0	0	114.1	V226 S251	V226-S228 VanDerWaalsContact CG1-O 3.23Å; V226-S228 WeakPolarHBondContact CG1-O 3.46Å; S228-S251 CarbonylContact C-O 3.59Å; S228-S251 WeakPolarHBondContact CA-O 3.36Å; S228-S251 WeakPolarHBondContact CB-O 3.28Å
229	I	96.1	Very high	95.6	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.026	22%	0.215	C	C	.	.			trans	-95	126.5	169.1	-51.8	-179.7	0	0	0	108.1	F221 Y233 L244 L249 S251 P252 I264 L268	F221-I229 HydrophobicContact CZ-CD1 4.01Å; F221-I229 HydrophobicContact CZ-CG1 4.14Å; I229-Y233 HydrophobicContact CG2-CD2 3.51Å; I229-Y233 HydrophobicContact CG2-CE2 4.21Å; I229-Y233 HydrophobicContact CG2-CG 3.97Å; I229-L244 HydrophobicContact CD1-CD2 4.29Å; I229-L249 HydrophobicContact CG1-CD2 4.1Å; I229-S251 PolarHBondContact N-O 3.48Å; I229-P252 HydrophobicContact CD1-CG 4.27Å; I229-I264 HydrophobicContact CD1-CG2 4.11Å; I229-L268 HydrophobicContact CG2-CD1 4.14Å
230	P	95.5	Very high	95.5	Very high	29 Å²	29	45.6 Å²	45.6	19%	0.188	25%	0.249	C	C	.	.			trans	-59.3	139.6	178.4	-26.2	35.8	0	0	0	113.6	C232 Y233	P230-C232 VanDerWaalsContact CB-SG 3.53Å; P230-C232 PolarHBondContact O-N 2.76Å; P230-Y233 HydrophobicContact CB-CD1 3.84Å; P230-Y233 HydrophobicContact CB-CE1 3.86Å; P230-Y233 HydrophobicContact CG-CD1 4.16Å; P230-Y233 HydrophobicContact CG-CE1 3.73Å; P230-Y233 WeakPolarHBondContact O-CB 3.18Å; P230-Y233 PolarHBondContact O-N 2.86Å
231	V	95.3	Very high	95.4	Very high	51 Å²	51	46 Å²	46	31%	0.309	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-60.4	-29.9	-179.3	177.3	0	0	0	0	112.4	Y233 R234 E271 A272	V231-Y233 PolarHBondContact O-N 3.03Å; V231-Y233 VanDerWaalsContact O-N 3.14Å; V231-R234 WeakPolarHBondContact O-CD 3.33Å; V231-R234 WeakPolarHBondContact O-CG 3.5Å; V231-R234 PolarHBondContact O-N 2.98Å; V231-E271 HydrophobicContact CG2-CB 4.32Å; V231-A272 HydrophobicContact CG1-CB 3.68Å
232	C	94.6	Very high	95.3	Very high	50 Å²	50	47.1 Å²	47.1	34%	0.338	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-59.6	-21.1	174	55.1	0	0	0	0	113.7	S209 A212 P230 R234 G235	S209-C232 PolarHBondContact O-SG 2.74Å; A212-C232 HydrophobicContact CB-CB 3.87Å; A212-C232 WeakPolarHBondContact CB-O 3.1Å; P230-C232 VanDerWaalsContact CB-SG 3.53Å; P230-C232 PolarHBondContact O-N 2.76Å; C232-R234 PolarHBondContact O-N 3.01Å; C232-G235 PolarHBondContact O-N 3.22Å
233	Y	95.6	Very high	95.3	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.012	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-66.9	-7.8	-178.6	-75.4	26.1	0	0	0	112.9	L207 P208 L211 A212 L219 I229 P230 V231 G235 L236 F265	L207-Y233 HydrophobicContact CB-CE2 4.35Å; L207-Y233 WeakPolarHBondContact CB-OH 3.06Å; L207-Y233 HydrophobicContact CD1-CE2 3.97Å; P208-Y233 VanDerWaalsContact O-CE1 3.22Å; P208-Y233 WeakPolarHBondContact O-CE1 3.43Å; P208-Y233 PolarHBondContact O-OH 2.98Å; L211-Y233 HydrophobicContact CB-CE1 4.19Å; L211-Y233 WeakPolarHBondContact CB-OH 3.49Å; L211-Y233 WeakPolarHBondContact CD1-OH 3.35Å; A212-Y233 HydrophobicContact CB-CD1 3.97Å; A212-Y233 HydrophobicContact CB-CE1 4.41Å; L219-Y233 HydrophobicContact CD2-CE2 4.39Å; I229-Y233 HydrophobicContact CG2-CD2 3.51Å; I229-Y233 HydrophobicContact CG2-CE2 4.21Å; I229-Y233 HydrophobicContact CG2-CG 3.97Å; P230-Y233 HydrophobicContact CB-CD1 3.84Å; P230-Y233 HydrophobicContact CB-CE1 3.86Å; P230-Y233 HydrophobicContact CG-CD1 4.16Å; P230-Y233 HydrophobicContact CG-CE1 3.73Å; P230-Y233 WeakPolarHBondContact O-CB 3.18Å; P230-Y233 PolarHBondContact O-N 2.86Å; V231-Y233 PolarHBondContact O-N 3.03Å; V231-Y233 VanDerWaalsContact O-N 3.14Å; Y233-G235 PolarHBondContact O-N 3.42Å; Y233-L236 HydrophobicContact CD2-CD1 3.87Å; Y233-L236 HydrophobicContact CG-CD1 3.93Å; Y233-L236 WeakPolarHBondContact O-CB 3.36Å; Y233-L236 PolarHBondContact O-N 2.76Å; Y233-L236 VanDerWaalsContact O-N 3.14Å; Y233-F265 VanDerWaalsContact O-CE1 3.32Å; Y233-F265 WeakPolarHBondContact O-CE1 3.32Å
234	R	93.1	Very high	95.2	Very high	123 Å²	123	48.7 Å²	48.7	46%	0.464	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-54.2	-26.2	162.4	74.1	-167.8	-171.6	93.9	1.5	113.2	V231 C232 L236 L268 N269	V231-R234 WeakPolarHBondContact O-CD 3.33Å; V231-R234 WeakPolarHBondContact O-CG 3.5Å; V231-R234 PolarHBondContact O-N 2.98Å; C232-R234 PolarHBondContact O-N 3.01Å; R234-L236 VanDerWaalsContact C-N 3.32Å; R234-L236 PolarHBondContact O-N 3.31Å; R234-L268 HydrophobicContact CB-CB 4.22Å; R234-N269 PolarHBondContact NH1-OD1 2.78Å
235	G	91.9	Very high	95.1	Very high	40 Å²	40	52.6 Å²	52.6	41%	0.412	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-74.4	-11.2	177.1	0	0	0	0	0	115.4	C232 Y233 T237	C232-G235 PolarHBondContact O-N 3.22Å; Y233-G235 PolarHBondContact O-N 3.42Å; G235-T237 PolarHBondContact O-N 3.4Å
236	L	94.7	Very high	95	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.016	30%	0.301	C	S	.	.			trans	-73.5	64.5	177.8	-71.8	174.9	0	0	0	112.2	L211 L214 L216 Y233 R234 Q238 L239 F265	L211-L236 WeakPolarHBondContact O-CD2 3.26Å; L214-L236 VanDerWaalsContact O-CD2 3.25Å; L214-L236 WeakPolarHBondContact O-CD2 3.06Å; L216-L236 HydrophobicContact CB-CD2 4.32Å; L216-L236 HydrophobicContact CD1-CD2 4.34Å; Y233-L236 HydrophobicContact CD2-CD1 3.87Å; Y233-L236 HydrophobicContact CG-CD1 3.93Å; Y233-L236 WeakPolarHBondContact O-CB 3.36Å; Y233-L236 PolarHBondContact O-N 2.76Å; Y233-L236 VanDerWaalsContact O-N 3.14Å; R234-L236 VanDerWaalsContact C-N 3.32Å; R234-L236 PolarHBondContact O-N 3.31Å; L236-Q238 PolarHBondContact O-N 3.1Å; L236-L239 HydrophobicContact CB-CB 4.07Å; L236-L239 HydrophobicContact CB-CD2 4.39Å; L236-L239 HydrophobicContact CD1-CD2 4.22Å; L236-L239 WeakPolarHBondContact O-CB 3.48Å; L236-L239 PolarHBondContact O-N 3.23Å; L236-F265 HydrophobicContact CB-CE1 3.99Å; L236-F265 HydrophobicContact CB-CZ 3.8Å; L236-F265 VanDerWaalsContact O-CE1 3.24Å; L236-F265 WeakPolarHBondContact O-CE1 3.28Å
237	T	89.3	Confident	94.9	Very high	110 Å²	110	54.7 Å²	54.7	68%	0.675	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-43.3	-175.7	52.2	0	0	0	0	112.3	G235 L239	G235-T237 PolarHBondContact O-N 3.4Å; T237-L239 PolarHBondContact O-N 3.16Å
238	Q	94.4	Very high	94.9	Very high	113 Å²	113	56 Å²	56	53%	0.528	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-11.3	-177.6	-58.4	-56.9	-32.7	0	0	114.4	P215 L216 L236 Q240	P215-Q238 HydrophobicContact CB-CG 4.42Å; L216-Q238 CarbonylContact O-C 3.18Å; L236-Q238 PolarHBondContact O-N 3.1Å; Q238-Q240 PolarHBondContact O-N 3.25Å
239	L	96.4	Very high	94.8	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.016	31%	0.306	C	S	.	.			trans	-69.5	116	-171.4	-169.5	75.4	0	0	0	111.1	L216 L219 L236 T237 A241 I242 K261 F265	L216-L239 HydrophobicContact CB-CD1 3.85Å; L216-L239 WeakPolarHBondContact O-CA 3.26Å; L216-L239 PolarHBondContact O-N 3.31Å; L219-L239 HydrophobicContact CB-CD1 3.79Å; L236-L239 HydrophobicContact CB-CB 4.07Å; L236-L239 HydrophobicContact CB-CD2 4.39Å; L236-L239 HydrophobicContact CD1-CD2 4.22Å; L236-L239 WeakPolarHBondContact O-CB 3.48Å; L236-L239 PolarHBondContact O-N 3.23Å; T237-L239 PolarHBondContact O-N 3.16Å; L239-A241 WeakPolarHBondContact CD1-O 3.31Å; L239-I242 HydrophobicContact CD2-CB 3.93Å; L239-I242 HydrophobicContact CD2-CD1 4.18Å; L239-I242 HydrophobicContact CD2-CG1 4.27Å; L239-K261 WeakPolarHBondContact O-CD 3.44Å; L239-K261 WeakPolarHBondContact O-CE 3.22Å; L239-K261 PolarHBondContact O-NZ 3.14Å; L239-F265 HydrophobicContact CB-CZ 4.4Å; L239-F265 HydrophobicContact CD2-CE2 4.08Å; L239-F265 HydrophobicContact CD2-CZ 3.87Å
240	Q	95.5	Very high	94.6	Very high	152 Å²	152	61.9 Å²	61.9	71%	0.71	34%	0.339	S	S	*	.			trans	-91.1	-43.6	177.5	-63.2	176.5	12.6	0	0	111	V217 Q238	V217-Q240 HydrophobicContact CG1-CB 4.15Å; V217-Q240 HydrophobicContact CG1-CG 3.93Å; V217-Q240 PolarHBondContact O-N 3.14Å; Q238-Q240 PolarHBondContact O-N 3.25Å
241	A	96.1	Very high	94.5	Very high	37 Å²	37	62.5 Å²	62.5	31%	0.306	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132	-179.3	0	0	0	0	0	112.3	V217 R218 L219 L239	V217-A241 PolarHBondContact O-N 3.04Å; R218-A241 WeakPolarHBondContact CA-O 3.49Å; R218-A241 HydrophobicContact CB-CB 4.37Å; R218-A241 HydrophobicContact CG-CB 4.1Å; L219-A241 PolarHBondContact N-O 2.92Å; L239-A241 WeakPolarHBondContact CD1-O 3.31Å
242	I	96	Very high	94.4	Very high	24 Å²	24	60 Å²	60	12%	0.123	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.4	169.4	-165.7	173.2	0	0	0	108.5	L219 F221 L239 K261 I264	L219-I242 WeakPolarHBondContact O-CA 3.29Å; F221-I242 HydrophobicContact CE1-CD1 4.1Å; F221-I242 HydrophobicContact CE1-CG1 3.95Å; L239-I242 HydrophobicContact CD2-CB 3.93Å; L239-I242 HydrophobicContact CD2-CD1 4.18Å; L239-I242 HydrophobicContact CD2-CG1 4.27Å; I242-K261 HydrophobicContact CG2-CB 3.85Å; I242-K261 HydrophobicContact CG2-CG 4.23Å; I242-I264 HydrophobicContact CG2-CD1 4.18Å
243	V	96.7	Very high	94.4	Very high	48 Å²	48	60 Å²	60	29%	0.291	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.5	-177	-174.4	0	0	0	0	108.5	L219 D220 F221 S222	L219-V243 PolarHBondContact O-N 2.81Å; D220-V243 WeakPolarHBondContact CA-O 3.44Å; D220-V243 HydrophobicContact CB-CB 4Å; F221-V243 PolarHBondContact N-O 3.2Å; S222-V243 PolarHBondContact N-O 3.13Å
244	L	95.7	Very high	94.2	Very high	18 Å²	18	62.3 Å²	62.3	9%	0.094	35%	0.348	C	S	.	.			trans	-138.6	0.6	-162.9	57.4	79.1	0	0	0	113.8	F221 I229 N247 L249 C257 I264	F221-L244 HydrophobicContact CD1-CB 4.49Å; F221-L244 HydrophobicContact CD2-CB 4.35Å; F221-L244 HydrophobicContact CE1-CB 3.84Å; F221-L244 HydrophobicContact CE2-CB 3.67Å; F221-L244 HydrophobicContact CZ-CB 3.39Å; F221-L244 HydrophobicContact CZ-CD2 4.37Å; I229-L244 HydrophobicContact CD1-CD2 4.29Å; L244-N247 PolarHBondContact O-ND2 2.75Å; L244-L249 HydrophobicContact CB-CD1 4.37Å; L244-L249 HydrophobicContact CD1-CD1 3.96Å; L244-C257 HydrophobicContact CD1-CB 3.9Å; L244-I264 HydrophobicContact CD2-CD1 3.52Å
245	D	94.4	Very high	94.2	Very high	92 Å²	92	63 Å²	63	49%	0.492	36%	0.356	S	S	.	.			trans	-50.6	148.1	-174.6	-48.7	-29.9	0	0	0	112.7	S222 C223	S222-D245 CarbonylContact C-O 3.53Å; S222-D245 WeakPolarHBondContact CA-O 3.47Å; S222-D245 WeakPolarHBondContact CB-O 3.5Å; C223-D245 PolarHBondContact N-O 2.83Å
246	N	95.1	Very high	94.3	Very high	127 Å²	127	63.1 Å²	63.1	68%	0.679	35%	0.347	S	S	*	.	S	Bend	trans	58.1	47.7	179.1	-44.8	-78	0	0	0	112.8	C223	C223-N246 VanDerWaalsContact CA-O 3.3Å; C223-N246 WeakPolarHBondContact CA-O 3.25Å; C223-N246 PolarHBondContact N-O 3.32Å
247	N	95.6	Very high	94.3	Very high	24 Å²	24	63.6 Å²	63.6	13%	0.128	35%	0.35	C	S	.	.			trans	-120.7	147	164.1	-81.7	-82	0	0	0	109.7	F221 N224 K225 V226 L244 L249	F221-N247 PolarHBondContact O-ND2 2.84Å; N224-N247 VanDerWaalsContact CA-OD1 3.26Å; N224-N247 WeakPolarHBondContact CA-OD1 3.5Å; N224-N247 WeakPolarHBondContact CB-OD1 3.26Å; N224-N247 PolarHBondContact N-OD1 2.91Å; N224-N247 PolarHBondContact O-OD1 3.1Å; K225-N247 PolarHBondContact N-OD1 3.43Å; V226-N247 HydrophobicContact CB-CB 4.45Å; V226-N247 WeakPolarHBondContact CB-OD1 3.49Å; V226-N247 PolarHBondContact N-OD1 2.81Å; L244-N247 PolarHBondContact O-ND2 2.75Å; N247-L249 HydrophobicContact CB-CD1 4.25Å; N247-L249 HydrophobicContact CB-CG 3.9Å; N247-L249 PolarHBondContact O-N 3.38Å
248	P	94.6	Very high	94.4	Very high	72 Å²	72	65.4 Å²	65.4	47%	0.468	35%	0.354	S	S	.	.			trans	-78.5	52.4	176.6	36.1	-37.9	0	0	0	112.1	V226 T227 Q250	V226-P248 CarbonylContact O-C 3.18Å; V226-P248 WeakPolarHBondContact O-CD 3.31Å; T227-P248 HydrophobicContact CG2-CG 4.4Å; P248-Q250 PolarHBondContact O-N 2.76Å
249	L	94.3	Very high	94.4	Very high	27 Å²	27	66.5 Å²	66.5	14%	0.141	36%	0.357	C	S	.	.			trans	-68.1	124.1	-175.1	-73.1	168.2	0	0	0	112	V226 I229 L244 N247	V226-L249 HydrophobicContact CB-CD2 4.43Å; V226-L249 HydrophobicContact CG1-CD2 3.96Å; V226-L249 WeakPolarHBondContact O-CD2 3.47Å; I229-L249 HydrophobicContact CG1-CD2 4.1Å; L244-L249 HydrophobicContact CB-CD1 4.37Å; L244-L249 HydrophobicContact CD1-CD1 3.96Å; N247-L249 HydrophobicContact CB-CD1 4.25Å; N247-L249 HydrophobicContact CB-CG 3.9Å; N247-L249 PolarHBondContact O-N 3.38Å
250	Q	92.7	Very high	94.2	Very high	154 Å²	154	67.8 Å²	67.8	72%	0.72	37%	0.371	S	S	*	.			trans	-97.6	-36.1	173.2	-60.7	177.3	-8.6	0	0	111.1	T227 P248	T227-Q250 PolarHBondContact O-N 3.42Å; P248-Q250 PolarHBondContact O-N 2.76Å
251	S	92.8	Very high	94.2	Very high	41 Å²	41	63 Å²	63	29%	0.287	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-139	119.1	176.7	-172	0	0	0	0	111.4	S228 I229 F267	S228-S251 CarbonylContact C-O 3.59Å; S228-S251 WeakPolarHBondContact CA-O 3.36Å; S228-S251 WeakPolarHBondContact CB-O 3.28Å; I229-S251 PolarHBondContact N-O 3.48Å; S251-F267 WeakPolarHBondContact OG-CE1 3.35Å
252	P	93.6	Very high	94.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.358	C	S	.	.	S	Bend	cis	-65.3	153.7	-0.8	-14.9	28.1	0	0	0	112.8	I229 I256 C257 I264 F267	I229-P252 HydrophobicContact CD1-CG 4.27Å; P252-I256 HydrophobicContact CB-CB 4.07Å; P252-I256 HydrophobicContact CB-CG2 4.06Å; P252-C257 PolarHBondContact O-SG 3.23Å; P252-I264 HydrophobicContact CG-CG2 4.12Å; P252-F267 HydrophobicContact CB-CD1 3.59Å; P252-F267 HydrophobicContact CB-CE1 3.78Å; P252-F267 HydrophobicContact CB-CG 4.14Å; P252-F267 HydrophobicContact CB-CZ 4.49Å; P252-F267 HydrophobicContact CG-CD1 3.67Å; P252-F267 HydrophobicContact CG-CE1 4.01Å
253	P	93.9	Very high	94.1	Very high	48 Å²	48	68 Å²	68	31%	0.312	37%	0.37	S	S	.	.			trans	-55.4	149	170.5	-27.6	35.2	0	0	0	113	Q255 I256 C257	P253-Q255 PolarHBondContact O-N 3.14Å; P253-Q255 VanDerWaalsContact O-N 3.09Å; P253-I256 WeakPolarHBondContact O-CA 3.47Å; P253-I256 WeakPolarHBondContact O-CB 3.14Å; P253-I256 PolarHBondContact O-N 3.49Å; P253-C257 PolarHBondContact O-N 2.81Å; P253-C257 VanDerWaalsContact O-N 3.17Å
254	A	91.6	Very high	94.1	Very high	53 Å²	53	65.7 Å²	65.7	44%	0.438	36%	0.356	S	S	.	.	H	α-helix	trans	-54.1	-35.2	-176.5	0	0	0	0	0	113.7	I256 C257 I258	A254-I256 PolarHBondContact O-N 2.88Å; A254-C257 PolarHBondContact O-N 3.22Å; A254-I258 WeakPolarHBondContact O-CD1 3.42Å; A254-I258 VanDerWaalsContact O-CG1 3.26Å; A254-I258 WeakPolarHBondContact O-CG1 3.44Å; A254-I258 PolarHBondContact O-N 3.15Å
255	Q	92.8	Very high	94.1	Very high	138 Å²	138	65.9 Å²	65.9	65%	0.645	36%	0.356	S	S	*	.	H	α-helix	trans	-65.4	-19.8	177.2	-56.9	85.4	-14.2	0	0	113.5	P253 K259	P253-Q255 PolarHBondContact O-N 3.14Å; P253-Q255 VanDerWaalsContact O-N 3.09Å; Q255-K259 WeakPolarHBondContact O-CG 3.11Å
256	I	94.1	Very high	94.1	Very high	41 Å²	41	68.1 Å²	68.1	21%	0.21	36%	0.361	C	S	.	.	H	α-helix	trans	-89.4	-44.6	173	-57.1	-170	0	0	0	109.5	P252 P253 A254 I258 K259 H263 I264 F267	P252-I256 HydrophobicContact CB-CB 4.07Å; P252-I256 HydrophobicContact CB-CG2 4.06Å; P253-I256 WeakPolarHBondContact O-CA 3.47Å; P253-I256 WeakPolarHBondContact O-CB 3.14Å; P253-I256 PolarHBondContact O-N 3.49Å; A254-I256 PolarHBondContact O-N 2.88Å; I256-I258 PolarHBondContact O-N 3.45Å; I256-K259 PolarHBondContact O-N 2.89Å; I256-H263 HydrophobicContact CG2-CB 4.04Å; I256-H263 WeakPolarHBondContact CG2-O 3.12Å; I256-I264 HydrophobicContact CG2-CG1 4.47Å; I256-F267 HydrophobicContact CD1-CB 3.93Å; I256-F267 HydrophobicContact CD1-CD2 3.34Å; I256-F267 HydrophobicContact CD1-CE2 4.03Å; I256-F267 HydrophobicContact CD1-CG 3.77Å; I256-F267 HydrophobicContact CG2-CB 3.96Å
257	C	93.8	Very high	94.2	Very high	14 Å²	14	63.6 Å²	63.6	10%	0.095	34%	0.336	C	S	.	.	H	α-helix	trans	-56.6	-44.4	177.1	-67.8	0	0	0	0	113	L244 P252 P253 A254 K259 G260	L244-C257 HydrophobicContact CD1-CB 3.9Å; P252-C257 PolarHBondContact O-SG 3.23Å; P253-C257 PolarHBondContact O-N 2.81Å; P253-C257 VanDerWaalsContact O-N 3.17Å; A254-C257 PolarHBondContact O-N 3.22Å; C257-K259 PolarHBondContact O-N 2.74Å; C257-G260 PolarHBondContact O-N 2.83Å
258	I	93.1	Very high	94.1	Very high	148 Å²	148	62.5 Å²	62.5	76%	0.759	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.3	177.7	-67.8	162.8	0	0	0	112.1	A254 I256 G260	A254-I258 WeakPolarHBondContact O-CD1 3.42Å; A254-I258 VanDerWaalsContact O-CG1 3.26Å; A254-I258 WeakPolarHBondContact O-CG1 3.44Å; A254-I258 PolarHBondContact O-N 3.15Å; I256-I258 PolarHBondContact O-N 3.45Å; I258-G260 VanDerWaalsContact C-N 3.26Å; I258-G260 PolarHBondContact O-N 3.01Å
259	K	93.6	Very high	94.2	Very high	136 Å²	136	62.1 Å²	62.1	59%	0.591	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	7.2	175.6	-59.4	178.2	-179.2	-175.8	0	113.6	Q255 I256 C257 H263	Q255-K259 WeakPolarHBondContact O-CG 3.11Å; I256-K259 PolarHBondContact O-N 2.89Å; C257-K259 PolarHBondContact O-N 2.74Å; K259-H263 HydrophobicContact CB-CB 3.72Å; K259-H263 VanDerWaalsContact CB-CG 3.45Å; K259-H263 VanDerWaalsContact CB-ND1 3.34Å; K259-H263 WeakPolarHBondContact CB-ND1 3.41Å; K259-H263 PolarHBondContact O-ND1 3.08Å
260	G	92.9	Very high	94.2	Very high	29 Å²	29	65.7 Å²	65.7	30%	0.299	34%	0.343	S	S	.	.	H	α-helix	trans	72.3	-176.2	169.7	0	0	0	0	0	116.2	C257 I258 V262 H263 I264	C257-G260 PolarHBondContact O-N 2.83Å; I258-G260 VanDerWaalsContact C-N 3.26Å; I258-G260 PolarHBondContact O-N 3.01Å; G260-V262 VanDerWaalsContact C-N 3.32Å; G260-V262 PolarHBondContact O-N 2.83Å; G260-V262 VanDerWaalsContact O-N 3.11Å; G260-H263 PolarHBondContact O-N 3.43Å; G260-I264 PolarHBondContact O-N 2.89Å
261	K	94.4	Very high	94.2	Very high	51 Å²	51	60.4 Å²	60.4	22%	0.222	32%	0.318	C	S	.	.	H	α-helix	trans	-43.2	-51	-170.6	-175.2	-167.2	139.7	84.5	0	113.6	L239 I242 H263 I264 F265	L239-K261 WeakPolarHBondContact O-CD 3.44Å; L239-K261 WeakPolarHBondContact O-CE 3.22Å; L239-K261 PolarHBondContact O-NZ 3.14Å; I242-K261 HydrophobicContact CG2-CB 3.85Å; I242-K261 HydrophobicContact CG2-CG 4.23Å; K261-H263 VanDerWaalsContact C-N 3.27Å; K261-H263 PolarHBondContact O-N 2.94Å; K261-I264 PolarHBondContact O-N 3.33Å; K261-F265 HydrophobicContact CD-CE2 4.33Å; K261-F265 HydrophobicContact CG-CD2 3.58Å; K261-F265 HydrophobicContact CG-CE2 3.59Å; K261-F265 HydrophobicContact CG-CG 4.41Å; K261-F265 HydrophobicContact CG-CZ 4.42Å; K261-F265 VanDerWaalsContact NZ-CZ 3.32Å; K261-F265 VanDerWaalsContact O-CD2 3.27Å; K261-F265 WeakPolarHBondContact O-CD2 3.49Å; K261-F265 PolarHBondContact O-N 2.71Å
262	V	94.8	Very high	94.1	Very high	87 Å²	87	59.1 Å²	59.1	53%	0.527	31%	0.309	S	S	.	.	H	α-helix	trans	-59.2	-38.3	-173.8	179.7	0	0	0	0	111.9	G260 K266	G260-V262 VanDerWaalsContact C-N 3.32Å; G260-V262 PolarHBondContact O-N 2.83Å; G260-V262 VanDerWaalsContact O-N 3.11Å; V262-K266 HydrophobicContact CG1-CD 4.36Å; V262-K266 WeakPolarHBondContact O-CB 3.28Å; V262-K266 VanDerWaalsContact O-CG 3.28Å; V262-K266 WeakPolarHBondContact O-CG 3.26Å; V262-K266 PolarHBondContact O-N 3.01Å; V262-K266 VanDerWaalsContact O-N 3.07Å
263	H	96	Very high	93.8	Very high	79 Å²	79	63.3 Å²	63.3	37%	0.366	34%	0.339	S	S	.	.	H	α-helix	trans	-78.7	-36.7	-179.9	-67.4	90.7	0	0	0	112.1	I256 K259 G260 K261 K266 F267	I256-H263 HydrophobicContact CG2-CB 4.04Å; I256-H263 WeakPolarHBondContact CG2-O 3.12Å; K259-H263 HydrophobicContact CB-CB 3.72Å; K259-H263 VanDerWaalsContact CB-CG 3.45Å; K259-H263 VanDerWaalsContact CB-ND1 3.34Å; K259-H263 WeakPolarHBondContact CB-ND1 3.41Å; K259-H263 PolarHBondContact O-ND1 3.08Å; G260-H263 PolarHBondContact O-N 3.43Å; K261-H263 VanDerWaalsContact C-N 3.27Å; K261-H263 PolarHBondContact O-N 2.94Å; H263-K266 PolarHBondContact O-N 2.94Å; H263-F267 WeakPolarHBondContact O-CB 3.36Å; H263-F267 PolarHBondContact O-N 2.98Å
264	I	95.8	Very high	93.5	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-58.4	-50.5	171.6	-65.3	160.5	0	0	0	110.2	I229 I242 L244 P252 I256 G260 K261 K266 F267 L268	I229-I264 HydrophobicContact CD1-CG2 4.11Å; I242-I264 HydrophobicContact CG2-CD1 4.18Å; L244-I264 HydrophobicContact CD2-CD1 3.52Å; P252-I264 HydrophobicContact CG-CG2 4.12Å; I256-I264 HydrophobicContact CG2-CG1 4.47Å; G260-I264 PolarHBondContact O-N 2.89Å; K261-I264 PolarHBondContact O-N 3.33Å; I264-K266 PolarHBondContact O-N 3.05Å; I264-F267 WeakPolarHBondContact O-CB 3.3Å; I264-F267 PolarHBondContact O-N 3.09Å; I264-L268 HydrophobicContact CG2-CD1 3.87Å; I264-L268 HydrophobicContact CG2-CG 4.37Å; I264-L268 WeakPolarHBondContact O-CG 3.26Å; I264-L268 PolarHBondContact O-N 3Å
265	F	95.9	Very high	92.3	Very high	23 Å²	23	69 Å²	69	10%	0.101	36%	0.356	C	S	.	.	H	α-helix	trans	-68.4	-33.4	-179.2	-82.7	-116.2	0	0	0	112.6	Y233 L236 L239 K261 N269	Y233-F265 VanDerWaalsContact O-CE1 3.32Å; Y233-F265 WeakPolarHBondContact O-CE1 3.32Å; L236-F265 HydrophobicContact CB-CE1 3.99Å; L236-F265 HydrophobicContact CB-CZ 3.8Å; L236-F265 VanDerWaalsContact O-CE1 3.24Å; L236-F265 WeakPolarHBondContact O-CE1 3.28Å; L239-F265 HydrophobicContact CB-CZ 4.4Å; L239-F265 HydrophobicContact CD2-CE2 4.08Å; L239-F265 HydrophobicContact CD2-CZ 3.87Å; K261-F265 HydrophobicContact CD-CE2 4.33Å; K261-F265 HydrophobicContact CG-CD2 3.58Å; K261-F265 HydrophobicContact CG-CE2 3.59Å; K261-F265 HydrophobicContact CG-CG 4.41Å; K261-F265 HydrophobicContact CG-CZ 4.42Å; K261-F265 VanDerWaalsContact NZ-CZ 3.32Å; K261-F265 VanDerWaalsContact O-CD2 3.27Å; K261-F265 WeakPolarHBondContact O-CD2 3.49Å; K261-F265 PolarHBondContact O-N 2.71Å; F265-N269 PolarHBondContact O-N 3.02Å; F265-N269 VanDerWaalsContact O-N 3.08Å; F265-N269 PolarHBondContact O-ND2 3.23Å
266	K	95.4	Very high	90.3	Very high	138 Å²	138	67 Å²	67	60%	0.6	35%	0.354	S	S	*	.	H	α-helix	trans	-63.1	-43	170.2	-79	176.8	177.4	-173.5	0	111.8	V262 H263 I264 L270	V262-K266 HydrophobicContact CG1-CD 4.36Å; V262-K266 WeakPolarHBondContact O-CB 3.28Å; V262-K266 VanDerWaalsContact O-CG 3.28Å; V262-K266 WeakPolarHBondContact O-CG 3.26Å; V262-K266 PolarHBondContact O-N 3.01Å; V262-K266 VanDerWaalsContact O-N 3.07Å; H263-K266 PolarHBondContact O-N 2.94Å; I264-K266 PolarHBondContact O-N 3.05Å; K266-L270 WeakPolarHBondContact O-CB 3.42Å; K266-L270 PolarHBondContact O-N 3.27Å
267	F	95.8	Very high	88.3	Confident	32 Å²	32	70.8 Å²	70.8	14%	0.14	38%	0.381	C	S	.	.	H	α-helix	trans	-64.6	-48.1	175.3	174.4	-93.2	0	0	0	112.2	S251 P252 I256 H263 I264 N269 L270 E271	S251-F267 WeakPolarHBondContact OG-CE1 3.35Å; P252-F267 HydrophobicContact CB-CD1 3.59Å; P252-F267 HydrophobicContact CB-CE1 3.78Å; P252-F267 HydrophobicContact CB-CG 4.14Å; P252-F267 HydrophobicContact CB-CZ 4.49Å; P252-F267 HydrophobicContact CG-CD1 3.67Å; P252-F267 HydrophobicContact CG-CE1 4.01Å; I256-F267 HydrophobicContact CD1-CB 3.93Å; I256-F267 HydrophobicContact CD1-CD2 3.34Å; I256-F267 HydrophobicContact CD1-CE2 4.03Å; I256-F267 HydrophobicContact CD1-CG 3.77Å; I256-F267 HydrophobicContact CG2-CB 3.96Å; H263-F267 WeakPolarHBondContact O-CB 3.36Å; H263-F267 PolarHBondContact O-N 2.98Å; I264-F267 WeakPolarHBondContact O-CB 3.3Å; I264-F267 PolarHBondContact O-N 3.09Å; F267-N269 VanDerWaalsContact C-N 3.28Å; F267-N269 PolarHBondContact O-N 3.21Å; F267-L270 PolarHBondContact O-N 3.28Å; F267-E271 HydrophobicContact CD1-CG 4.03Å; F267-E271 HydrophobicContact CD2-CG 4.34Å; F267-E271 HydrophobicContact CE1-CG 3.55Å; F267-E271 HydrophobicContact CE2-CG 3.9Å; F267-E271 HydrophobicContact CG-CG 4.41Å; F267-E271 HydrophobicContact CZ-CG 3.49Å; F267-E271 VanDerWaalsContact CZ-CG 3.49Å; F267-E271 WeakPolarHBondContact O-CG 3.38Å; F267-E271 PolarHBondContact O-N 3.04Å
268	L	95.3	Very high	85.8	Confident	2 Å²	2	78.3 Å²	78.3	1%	0.01	42%	0.415	C	S	.	.	H	α-helix	trans	-62.6	-33.7	179.9	-64.7	171.5	0	0	0	112.5	I229 R234 I264 A272	I229-L268 HydrophobicContact CG2-CD1 4.14Å; R234-L268 HydrophobicContact CB-CB 4.22Å; I264-L268 HydrophobicContact CG2-CD1 3.87Å; I264-L268 HydrophobicContact CG2-CG 4.37Å; I264-L268 WeakPolarHBondContact O-CG 3.26Å; I264-L268 PolarHBondContact O-N 3Å; L268-A272 WeakPolarHBondContact O-CB 3.17Å; L268-A272 PolarHBondContact O-N 2.85Å
269	N	94.8	Very high	83.3	Confident	64 Å²	64	78.6 Å²	78.6	34%	0.342	42%	0.417	S	S	.	.	H	α-helix	trans	-70.8	-39.9	171.1	-78.4	-66.8	0	0	0	112.6	R234 F265 F267 A272 S273	R234-N269 PolarHBondContact NH1-OD1 2.78Å; F265-N269 PolarHBondContact O-N 3.02Å; F265-N269 VanDerWaalsContact O-N 3.08Å; F265-N269 PolarHBondContact O-ND2 3.23Å; F267-N269 VanDerWaalsContact C-N 3.28Å; F267-N269 PolarHBondContact O-N 3.21Å; N269-A272 WeakPolarHBondContact O-CB 3.28Å; N269-A272 PolarHBondContact O-N 2.95Å; N269-S273 PolarHBondContact O-N 3Å; N269-S273 PolarHBondContact O-OG 2.79Å
270	L	94.3	Very high	80.8	Confident	101 Å²	101	77 Å²	77	53%	0.529	42%	0.421	S	S	.	.	H	α-helix	trans	-65.2	-39.2	176.3	-179.3	62.3	0	0	0	112.3	K266 F267 S273 K274	K266-L270 WeakPolarHBondContact O-CB 3.42Å; K266-L270 PolarHBondContact O-N 3.27Å; F267-L270 PolarHBondContact O-N 3.28Å; L270-S273 PolarHBondContact O-N 3.04Å; L270-K274 WeakPolarHBondContact O-CG 3.19Å; L270-K274 PolarHBondContact O-N 2.94Å
271	E	93	Very high	78.2	Confident	44 Å²	44	81 Å²	81	21%	0.206	43%	0.431	C	S	.	.	H	α-helix	trans	-64.1	-43.5	171.8	-67.9	-58	111.9	0	0	111.1	V231 F267 S273 K274 T275	V231-E271 HydrophobicContact CG2-CB 4.32Å; F267-E271 HydrophobicContact CD1-CG 4.03Å; F267-E271 HydrophobicContact CD2-CG 4.34Å; F267-E271 HydrophobicContact CE1-CG 3.55Å; F267-E271 HydrophobicContact CE2-CG 3.9Å; F267-E271 HydrophobicContact CG-CG 4.41Å; F267-E271 HydrophobicContact CZ-CG 3.49Å; F267-E271 VanDerWaalsContact CZ-CG 3.49Å; F267-E271 WeakPolarHBondContact O-CG 3.38Å; F267-E271 PolarHBondContact O-N 3.04Å; E271-S273 PolarHBondContact O-N 2.99Å; E271-K274 WeakPolarHBondContact O-CA 3.47Å; E271-K274 WeakPolarHBondContact O-CB 3.49Å; E271-K274 PolarHBondContact O-N 3.37Å; E271-K274 WeakPolarHBondContact OE1-CE 3.33Å; E271-K274 IonicContact OE1-NZ 3.91Å; E271-K274 PolarHBondContact OE1-NZ 3.05Å; E271-T275 PolarHBondContact O-N 3.32Å; E271-T275 PolarHBondContact O-OG1 2.78Å
272	A	90.7	Very high	75.8	Confident	13 Å²	13	87.8 Å²	87.8	11%	0.107	46%	0.461	C	S	.	.	H	α-helix	trans	-56.5	-38.4	176.3	0	0	0	0	0	112.7	V231 L268 N269 K274 T275 T276	V231-A272 HydrophobicContact CG1-CB 3.68Å; L268-A272 WeakPolarHBondContact O-CB 3.17Å; L268-A272 PolarHBondContact O-N 2.85Å; N269-A272 WeakPolarHBondContact O-CB 3.28Å; N269-A272 PolarHBondContact O-N 2.95Å; A272-K274 VanDerWaalsContact C-N 3.28Å; A272-K274 PolarHBondContact O-N 3.24Å; A272-T275 WeakPolarHBondContact CA-OG1 3.13Å; A272-T275 PolarHBondContact O-N 3.28Å; A272-T275 PolarHBondContact O-OG1 2.8Å; A272-T276 PolarHBondContact O-N 2.83Å
273	S	88.5	Confident	72.9	Confident	88 Å²	88	90.1 Å²	90.1	62%	0.615	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-13.2	174.8	-62.1	0	0	0	0	114.9	N269 L270 E271	N269-S273 PolarHBondContact O-N 3Å; N269-S273 PolarHBondContact O-OG 2.79Å; L270-S273 PolarHBondContact O-N 3.04Å; E271-S273 PolarHBondContact O-N 2.99Å
274	K	86.3	Confident	70.3	Confident	130 Å²	130	95.3 Å²	95.3	57%	0.565	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-29.8	169.6	-62.2	170.2	-172	173	0	112.2	L270 E271 A272	L270-K274 WeakPolarHBondContact O-CG 3.19Å; L270-K274 PolarHBondContact O-N 2.94Å; E271-K274 WeakPolarHBondContact O-CA 3.47Å; E271-K274 WeakPolarHBondContact O-CB 3.49Å; E271-K274 PolarHBondContact O-N 3.37Å; E271-K274 WeakPolarHBondContact OE1-CE 3.33Å; E271-K274 IonicContact OE1-NZ 3.91Å; E271-K274 PolarHBondContact OE1-NZ 3.05Å; A272-K274 VanDerWaalsContact C-N 3.28Å; A272-K274 PolarHBondContact O-N 3.24Å
275	T	68	Low	67.5	Low	90 Å²	90	105.8 Å²	105.8	55%	0.552	53%	0.527	S	S	*	.	S	Bend	trans	-91.6	8.1	-176	57.8	0	0	0	0	113.9	E271 A272 P277	E271-T275 PolarHBondContact O-N 3.32Å; E271-T275 PolarHBondContact O-OG1 2.78Å; A272-T275 WeakPolarHBondContact CA-OG1 3.13Å; A272-T275 PolarHBondContact O-N 3.28Å; A272-T275 PolarHBondContact O-OG1 2.8Å; T275-P277 WeakPolarHBondContact O-CD 3.07Å
276	T	50.6	Low	64.8	Low	97 Å²	97	110.1 Å²	110.1	60%	0.595	56%	0.557	S	S	*	*	S	Bend	trans	-61.1	120.2	162.5	44.3	0	0	0	0	108.1	A272 E278	A272-T276 PolarHBondContact O-N 2.83Å; T276-E278 PolarHBondContact O-N 3.45Å
277	P	51.2	Low	62	Low	120 Å²	120	111.7 Å²	111.7	78%	0.779	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-62.5	141.5	178.6	27.1	-34.1	0	0	0	109.7	T275	T275-P277 WeakPolarHBondContact O-CD 3.07Å
278	E	40.8	Very low	58.8	Low	173 Å²	173	117 Å²	117	81%	0.808	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-55.9	141.7	162.4	-66	178.5	131.5	0	0	108.7	T276	T276-E278 PolarHBondContact O-N 3.45Å
279	L	42.3	Very low	55.7	Low	154 Å²	154	121.9 Å²	121.9	81%	0.806	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-57.7	143.6	168.2	-69.1	166.4	0	0	0	108.2	E281	L279-E281 PolarHBondContact O-N 3.18Å
280	P	40.8	Very low	52.5	Low	102 Å²	102	124.4 Å²	124.4	66%	0.662	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-52.7	128.6	-179	-27.4	35.1	0	0	0	111.8	F282	P280-F282 HydrophobicContact CB-CD2 3.89Å; P280-F282 PolarHBondContact O-N 3.17Å
281	E	37.8	Very low	49.4	Very low	112 Å²	112	125.7 Å²	125.7	52%	0.523	67%	0.674	S	S	.	*			trans	-71.5	46.8	178	-69.5	-153.1	119.1	0	0	113.4	L279 D283 R284	L279-E281 PolarHBondContact O-N 3.18Å; E281-D283 PolarHBondContact O-N 3.4Å; E281-R284 PolarHBondContact O-N 3.07Å; E281-R284 IonicContact OE1-CZ 2.83Å; E281-R284 IonicContact OE1-NE 3.76Å; E281-R284 PolarHBondContact OE1-NE 3.43Å; E281-R284 IonicContact OE1-NH1 2.74Å; E281-R284 PolarHBondContact OE1-NH1 3.46Å; E281-R284 IonicContact OE1-NH2 3.51Å; E281-R284 WeakPolarHBondContact OE2-CD 3.26Å; E281-R284 IonicContact OE2-CZ 3.68Å; E281-R284 IonicContact OE2-NE 2.7Å; E281-R284 IonicContact OE2-NH1 3.5Å; E281-R284 PolarHBondContact OE2-NH1 3.26Å
282	F	43.6	Very low	46.3	Very low	194 Å²	194	130.5 Å²	130.5	85%	0.851	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	50.2	170.9	-89.5	-68.1	0	0	0	112.5	P280	P280-F282 HydrophobicContact CB-CD2 3.89Å; P280-F282 PolarHBondContact O-N 3.17Å
283	D	34.4	Very low	43.3	Very low	136 Å²	136	138.7 Å²	138.7	73%	0.727	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.8	21.4	144.6	-119.3	-22.3	0	0	0	115.3	E281 R285	E281-D283 PolarHBondContact O-N 3.4Å; D283-R285 VanDerWaalsContact C-N 3.32Å; D283-R285 PolarHBondContact O-N 2.99Å
284	R	41.2	Very low	40.5	Very low	188 Å²	188	139 Å²	139	71%	0.709	74%	0.744	S	S	*	*			trans	-79.1	79.4	164	-82.9	-164.7	174.5	145.7	0.6	111.4	E281 P286	E281-R284 PolarHBondContact O-N 3.07Å; E281-R284 IonicContact OE1-CZ 2.83Å; E281-R284 IonicContact OE1-NE 3.76Å; E281-R284 PolarHBondContact OE1-NE 3.43Å; E281-R284 IonicContact OE1-NH1 2.74Å; E281-R284 PolarHBondContact OE1-NH1 3.46Å; E281-R284 IonicContact OE1-NH2 3.51Å; E281-R284 WeakPolarHBondContact OE2-CD 3.26Å; E281-R284 IonicContact OE2-CZ 3.68Å; E281-R284 IonicContact OE2-NE 2.7Å; E281-R284 IonicContact OE2-NH1 3.5Å; E281-R284 PolarHBondContact OE2-NH1 3.26Å; R284-P286 WeakPolarHBondContact O-CD 3.18Å
285	R	36.1	Very low	37.7	Very low	221 Å²	221	143.4 Å²	143.4	83%	0.834	76%	0.759	S	S	*	*			trans	-72.3	124.8	166	-66.1	-171.4	-174.8	-159.8	1.5	111.2	D283	D283-R285 VanDerWaalsContact C-N 3.32Å; D283-R285 PolarHBondContact O-N 2.99Å
286	P	40.8	Very low	36.6	Very low	114 Å²	114	145.2 Å²	145.2	74%	0.74	77%	0.773	S	S	*	*			trans	-92.4	131.9	170	-3.6	24.1	0	0	0	112.1	R284	R284-P286 WeakPolarHBondContact O-CD 3.18Å
287	L	35.5	Very low	35.7	Very low	170 Å²	170	144 Å²	144	89%	0.89	78%	0.78	S	S	*	*			trans	57.4	117.6	147.6	-56.7	174.3	0	0	0	120.4
288	T	29	Very low	34.9	Very low	145 Å²	145	149.1 Å²	149.1	89%	0.89	78%	0.783	S	S	*	*			trans	-123.5	131.3	139.1	51.8	0	0	0	0	108.6
289	S	31	Very low	34.3	Very low	104 Å²	104	147.1 Å²	147.1	73%	0.727	78%	0.778	S	S	*	*			trans	-99.2	-176.9	-178.5	57.3	0	0	0	0	112.7
290	C	25.9	Very low	33.7	Very low	116 Å²	116	151 Å²	151	78%	0.784	78%	0.783	S	S	*	*			trans	79.3	136.7	172.4	-47.1	0	0	0	0	113.6
291	V	30.5	Very low	33.3	Very low	128 Å²	128	149 Å²	149	78%	0.776	78%	0.781	S	S	*	*			cis	-139	-174.9	4.4	-170.7	0	0	0	0	108.8
292	D	28.3	Very low	33	Very low	146 Å²	146	148.2 Å²	148.2	78%	0.781	79%	0.794	S	S	*	*			trans	-42.9	167.8	167.3	-59.6	-85.2	0	0	0	115.6
293	E	27.7	Very low	32.6	Very low	185 Å²	185	147.1 Å²	147.1	86%	0.864	80%	0.796	S	S	*	*			cis	-162.6	-180	36.3	-155.9	175.3	179.5	0	0	113.4
294	A	29.3	Very low	32.2	Very low	93 Å²	93	147.3 Å²	147.3	77%	0.769	80%	0.797	S	S	*	*			trans	77.4	100.6	160.4	0	0	0	0	0	121.2
295	Y	27.7	Very low	32.1	Very low	224 Å²	224	143.7 Å²	143.7	88%	0.878	80%	0.8	S	S	*	*			trans	-72.1	175.8	150.1	-100.3	-110	0	0	0	110.9
296	P	43.7	Very low	31.9	Very low	128 Å²	128	136.4 Å²	136.4	83%	0.831	79%	0.794	S	S	*	*			cis	-139.4	166.5	17.2	40.5	-21.9	0	0	0	118.7
297	G	31.6	Very low	31.4	Very low	72 Å²	72	140.7 Å²	140.7	74%	0.742	80%	0.801	S	S	*	*			trans	-166.4	100.4	165.4	0	0	0	0	0	113.7
298	R	34.7	Very low	31.3	Very low	227 Å²	227	139 Å²	139	86%	0.857	79%	0.794	S	S	*	*			trans	-79.8	172	179.6	-88.2	-170.9	178.5	-119.6	4.9	112.6
299	L	28.7	Very low	31.8	Very low	131 Å²	131	138.2 Å²	138.2	69%	0.686	79%	0.793	S	S	*	*			cis	156.8	129.1	-24.7	179	86	0	0	0	106.9
300	Y	29.6	Very low	31.9	Very low	234 Å²	234	139.9 Å²	139.9	92%	0.918	80%	0.799	S	S	*	*			trans	156.2	150.8	156.8	-109.8	-96.8	0	0	0	107
301	G	32.6	Very low	32	Very low	60 Å²	60	141.5 Å²	141.5	62%	0.619	80%	0.8	S	S	*	*			cis	174.4	116.7	-9	0	0	0	0	0	106
302	A	32	Very low	32.2	Very low	96 Å²	96	141.3 Å²	141.3	79%	0.793	81%	0.805	S	S	*	*				66.7	136.4	89.9	0	0	0	0	0	114.8
303	L	33.6	Very low	32.3	Very low	171 Å²	171	137.5 Å²	137.5	90%	0.895	80%	0.8	S	S	*	*			trans	76.8	149.4	176.3	-52.7	177.3	0	0	0	116.1
304	D	27.1	Very low	32.7	Very low	140 Å²	140	134.6 Å²	134.6	75%	0.749	79%	0.79	S	S	*	*			cis	-165.2	161.5	-22.6	-179.8	33.9	0	0	0	109.6
305	S	38.4	Very low	33	Very low	112 Å²	112	137.4 Å²	137.4	78%	0.783	79%	0.785	S	S	*	*			trans	65.2	158.1	172.2	78.9	0	0	0	0	117.1
306	G	33.3	Very low	33.2	Very low	68 Å²	68	136 Å²	136	70%	0.701	78%	0.778	S	S	*	*			cis	152.6	151.4	-11.3	0	0	0	0	0	113.9
307	F	29.9	Very low	32.4	Very low	204 Å²	204	139.9 Å²	139.9	90%	0.895	78%	0.776	S	S	*	*			trans	76.7	154.2	168.8	-128.2	-98.4	0	0	0	119.5
308	N	33.7	Very low	32.6	Very low	136 Å²	136	143.8 Å²	143.8	73%	0.727	78%	0.779	S	S	*	*			trans	-100.9	157.2	-174.9	-53.4	-62.6	0	0	0	112.5
309	S	39	Very low	32.2	Very low	127 Å²	127	135.9 Å²	135.9	89%	0.888	77%	0.768	S	S	*	*			trans	-155.1	159.9	143.8	-89.5	0	0	0	0	110.5
310	V	32.1	Very low	32.1	Very low	140 Å²	140	136 Å²	136	85%	0.848	77%	0.77	S	S	*	*			trans	-122.6	165.7	-165.9	-68.1	0	0	0	0	112.9
311	D	29.2	Very low	32.1	Very low	149 Å²	149	132.3 Å²	132.3	80%	0.797	76%	0.761	S	S	*	*			trans	70.5	96.5	152.1	-156.8	16.5	0	0	0	119.1
312	S	34.1	Very low	31.8	Very low	125 Å²	125	136.6 Å²	136.6	87%	0.874	78%	0.775	S	S	*	*			trans	-165.6	151.6	145.2	-82.4	0	0	0	0	109.2
313	G	31	Very low	31.7	Very low	66 Å²	66	136.7 Å²	136.7	68%	0.68	77%	0.77	S	S	*	*			cis	167.1	28.1	2.1	0	0	0	0	0	114.9
314	D	35.6	Very low	31.4	Very low	123 Å²	123	138.2 Å²	138.2	66%	0.658	77%	0.772	S	S	*	*			trans	76.4	149.7	167.2	-147.2	-6	0	0	0	118.6
315	K	36.5	Very low	31.5	Very low	152 Å²	152	140 Å²	140	66%	0.661	78%	0.776	S	S	*	*			trans	61.5	110.5	154.7	-83.5	144.7	-160.4	157.5	0	124.2
316	R	31	Very low	31.4	Very low	194 Å²	194	139.9 Å²	139.9	73%	0.732	77%	0.773	S	S	*	*				101.2	152.5	125.5	-66.2	165.3	169.5	-150.7	-3	120
317	W	26.6	Very low	31.1	Very low	210 Å²	210	141.3 Å²	141.3	80%	0.795	77%	0.772	S	S	*	*			trans	69.3	144.8	164.6	-51.8	124.4	0	0	0	114.2
318	L	36.9	Very low	30.9	Very low	154 Å²	154	140.2 Å²	140.2	81%	0.806	77%	0.77	S	S	*	*			cis	-145.2	177.4	-10.5	-99.2	153.4	0	0	0	105.4
319	G	24.6	Very low	30.5	Very low	61 Å²	61	140.6 Å²	140.6	63%	0.629	77%	0.771	S	S	*	*			cis	113.9	79.5	11.6	0	0	0	0	0	112.2
320	N	28	Very low	30.8	Very low	135 Å²	135	140.4 Å²	140.4	72%	0.722	77%	0.767	S	S	*	*			trans	77.5	114.5	165.6	-116.1	65.7	0	0	0	121.3
321	E	28.7	Very low	30.8	Very low	155 Å²	155	139.1 Å²	139.1	72%	0.724	76%	0.759	S	S	*	*				33.4	135	128.1	-53.4	176.8	150.7	0	0	122.7
322	V	27.5	Very low	30.9	Very low	150 Å²	150	141 Å²	141	91%	0.909	76%	0.755	S	S	*	*			trans	-133.5	142.3	132.2	179.9	0	0	0	0	108.1
323	S	28.7	Very low	30.6	Very low	99 Å²	99	139.5 Å²	139.5	69%	0.692	74%	0.737	S	S	*	*			trans	-95.3	165.9	-175.7	-38.3	0	0	0	0	113.1
324	E	27.4	Very low	30.8	Very low	203 Å²	203	142.3 Å²	142.3	95%	0.949	73%	0.732	S	S	*	*			trans	-158.6	138.3	135.2	-117.3	169.3	-150	0	0	112.2
325	E	28.8	Very low	30.6	Very low	176 Å²	176	146 Å²	146	82%	0.822	74%	0.737	S	S	*	*			trans	-151.5	147.5	177.7	-157	-159.5	-158	0	0	107
326	P	36.3	Very low	30.4	Very low	110 Å²	110	149.9 Å²	149.9	71%	0.714	75%	0.748	S	S	*	*				-146	-172.7	99.9	40.2	-22.3	0	0	0	111.1
327	S	26.8	Very low	30.4	Very low	98 Å²	98	145.2 Å²	145.2	69%	0.685	75%	0.75	S	S	*	*			cis	-152.4	178.6	13.1	-39.5	0	0	0	0	109
328	E	25.6	Very low	30.4	Very low	181 Å²	181	138.9 Å²	138.9	85%	0.846	75%	0.75	S	S	*	*			cis	-137.5	-180	5.5	-76.6	-164.1	103	0	0	110.5
329	L	26.7	Very low	30.4	Very low	145 Å²	145	138 Å²	138	76%	0.759	75%	0.754	S	S	*	*			trans	-133.9	162.3	164.3	-70.2	171.1	0	0	0	109.7	V331	L329-V331 HydrophobicContact CB-CG2 4.37Å
330	P	45.3	Very low	30.5	Very low	122 Å²	122	139.2 Å²	139.2	79%	0.792	77%	0.766	S	S	*	*				-128.3	142.2	104.2	2.7	18.9	0	0	0	113.2
331	V	31.5	Very low	30.4	Very low	113 Å²	113	136.2 Å²	136.2	69%	0.685	77%	0.767	S	S	*	*			cis	78.9	133.9	48.8	169.3	0	0	0	0	111.5	L329	L329-V331 HydrophobicContact CB-CG2 4.37Å
332	R	32.5	Very low	30.3	Very low	189 Å²	189	137.5 Å²	137.5	71%	0.713	77%	0.773	S	S	*	*			cis	-151.3	-173	10.7	-138.4	175.2	159.3	104.6	12.6	109.4
333	D	26.7	Very low	30.3	Very low	93 Å²	93	135.8 Å²	135.8	50%	0.497	76%	0.762	S	S	.	*			cis	-150.8	-165.6	0.8	-161.4	56.5	0	0	0	108.1	R335	D333-R335 IonicContact OD2-NE 3.63Å; D333-R335 IonicContact OD2-NH2 2.66Å
334	Q	35.8	Very low	30.2	Very low	125 Å²	125	138.6 Å²	138.6	58%	0.584	77%	0.769	S	S	*	*				-159.3	178.3	-91	-173	164.9	69.9	0	0	111.2
335	R	31	Very low	30.2	Very low	202 Å²	202	134.9 Å²	134.9	76%	0.762	76%	0.762	S	S	*	*			trans	95.2	149.2	158.7	-50.3	165.4	-160.6	-146.5	2.6	117	D333	D333-R335 IonicContact OD2-NE 3.63Å; D333-R335 IonicContact OD2-NH2 2.66Å
336	R	32.5	Very low	30.1	Very low	233 Å²	233	134.7 Å²	134.7	88%	0.879	77%	0.767	S	S	*	*			cis	-171.4	167.9	-22.9	-102.1	-167.4	-178.3	174.9	0.6	107
337	A	29.9	Very low	29.5	Very low	96 Å²	96	132 Å²	132	79%	0.793	76%	0.759	S	S	*	*			cis	176.4	139.8	-37.5	0	0	0	0	0	109
338	G	27.8	Very low	29.5	Very low	76 Å²	76	134 Å²	134	78%	0.784	77%	0.768	S	S	*	*			trans	167	140.3	172.6	0	0	0	0	0	115.6
339	P	37	Very low	29.4	Very low	137 Å²	137	136.7 Å²	136.7	89%	0.89	77%	0.771	S	S	*	*			trans	-125.4	162.8	-174.9	41.7	-30.4	0	0	0	117.3
340	G	25.8	Very low	29.4	Very low	85 Å²	85	132.9 Å²	132.9	88%	0.876	77%	0.767	S	S	*	*			trans	134.4	140	150.2	0	0	0	0	0	118
341	G	26.7	Very low	28.6	Very low	73 Å²	73	135.9 Å²	135.9	75%	0.753	77%	0.771	S	S	*	*			trans	129.4	94.3	154.2	0	0	0	0	0	120.6
342	H	26.2	Very low	28.4	Very low	181 Å²	181	138.4 Å²	138.4	84%	0.838	78%	0.779	S	S	*	*			trans	45.8	126.7	138.4	-79.5	-96.7	0	0	0	125
343	V	26.6	Very low	28.3	Very low	114 Å²	114	136.1 Å²	136.1	69%	0.691	78%	0.777	S	S	*	*				89.1	123	125.8	169.2	0	0	0	0	122.2
344	L	27.7	Very low	28.5	Very low	158 Å²	158	138.6 Å²	138.6	83%	0.827	79%	0.786	S	S	*	*			trans	50.4	123.7	155.1	-71.6	169.8	0	0	0	121.3
345	P	27.8	Very low	28.1	Very low	126 Å²	126	138.7 Å²	138.7	82%	0.818	79%	0.789	S	S	*	*			trans	-91.5	131.8	169.1	35.2	-30.8	0	0	0	112.7
346	N	25	Very low	27.7	Very low	171 Å²	171	135.7 Å²	135.7	91%	0.914	79%	0.788	S	S	*	*			trans	-156.8	131.5	156.7	-159.9	7.5	0	0	0	110.4
347	G	24.5	Very low	27.7	Very low	53 Å²	53	133.2 Å²	133.2	55%	0.546	78%	0.784	S	S	.	*	S	Bend	trans	102.8	99.8	173.6	0	0	0	0	0	117
348	T	26.4	Very low	27.6	Very low	142 Å²	142	136 Å²	136	87%	0.871	78%	0.784	S	S	*	*			trans	37.5	100.5	133.3	56.9	0	0	0	0	120.1
349	Y	23.7	Very low	27.5	Very low	236 Å²	236	138.3 Å²	138.3	93%	0.925	78%	0.778	S	S	*	*				-86.3	160.8	126.2	-69	-96.7	0	0	0	107.7
350	G	26.4	Very low	26.8	Very low	65 Å²	65	136.6 Å²	136.6	67%	0.67	77%	0.769	S	S	*	*			cis	158.6	116.8	0.8	0	0	0	0	0	107.3
351	E	29.3	Very low	26.8	Very low	186 Å²	186	137.6 Å²	137.6	87%	0.869	76%	0.762	S	S	*	*			trans	-76.7	130.5	-171.3	-166.8	161.7	-126.3	0	0	111
352	L	27.9	Very low	26.9	Very low	165 Å²	165	140.2 Å²	140.2	86%	0.864	76%	0.763	S	S	*	*			trans	-140.5	65.8	-178.8	-109.6	172.3	0	0	0	110.3
353	E	29.7	Very low	27.3	Very low	142 Å²	142	139.4 Å²	139.4	66%	0.664	76%	0.759	S	S	*	*			trans	-63.7	151.6	135.8	-70.3	-165.7	-179.7	0	0	108.1
354	Q	29.9	Very low	27.4	Very low	145 Å²	145	143 Å²	143	68%	0.678	77%	0.768	S	S	*	*			cis	-149.1	-173.3	4.9	-124.1	176.5	77.4	0	0	106
355	I	27.8	Very low	27.5	Very low	127 Å²	127	143.7 Å²	143.7	65%	0.651	77%	0.768	S	S	*	*			cis	-114.9	-123.4	19.7	-34.9	176.3	0	0	0	110.5
356	D	22.1	Very low	27.6	Very low	139 Å²	139	146.1 Å²	146.1	74%	0.743	77%	0.768	S	S	*	*			cis	-140.6	160.9	3.4	-133	-47.9	0	0	0	113
357	F	32.9	Very low	27.7	Very low	181 Å²	181	146.3 Å²	146.3	79%	0.794	76%	0.763	S	S	*	*			trans	-143.3	125.4	-165.9	-127.1	-89.5	0	0	0	111
358	I	27.7	Very low	27.8	Very low	155 Å²	155	146.8 Å²	146.8	80%	0.795	77%	0.768	S	S	*	*			trans	-140.2	112.6	159.7	-63.8	-172.5	0	0	0	104.3
359	D	25.5	Very low	28	Very low	123 Å²	123	149.8 Å²	149.8	66%	0.658	77%	0.769	S	S	*	*				72.8	149.9	76.4	-143.4	50.7	0	0	0	110.8
360	S	23.5	Very low	28.1	Very low	102 Å²	102	150.4 Å²	150.4	71%	0.713	77%	0.77	S	S	*	*			cis	-141.2	158.5	32.7	-61.9	0	0	0	0	118.5
361	C	25.6	Very low	28.1	Very low	105 Å²	105	158.4 Å²	158.4	71%	0.709	78%	0.78	S	S	*	*			trans	-85.7	171.2	166.9	-60.9	0	0	0	0	112.4
362	V	28.2	Very low	28	Very low	129 Å²	129	154.9 Å²	154.9	78%	0.782	78%	0.776	S	S	*	*			trans	-143.2	95.1	151.5	178.3	0	0	0	0	104.3
363	E	35.6	Very low	28.1	Very low	163 Å²	163	151.3 Å²	151.3	76%	0.762	78%	0.779	S	S	*	*				78.9	153.2	102	-75	174.1	-166.2	0	0	112.9
364	E	28.3	Very low	27.9	Very low	189 Å²	189	148.1 Å²	148.1	88%	0.883	78%	0.784	S	S	*	*			cis	-120.9	-168.3	25.3	-62.2	173.5	153.5	0	0	114.8
365	E	30.5	Very low	28.5	Very low	174 Å²	174	146.5 Å²	146.5	81%	0.813	80%	0.795	S	S	*	*			trans	-105.6	164.3	-150.9	-49.8	170.7	108.6	0	0	116.1
366	E	30	Very low	28.4	Very low	176 Å²	176	146 Å²	146	82%	0.822	79%	0.794	S	S	*	*				178.5	160.6	117.5	-108.5	-78.4	72.2	0	0	113.6
367	E	26.7	Very low	29.4	Very low	175 Å²	175	151.2 Å²	151.2	82%	0.818	80%	0.804	S	S	*	*			trans	-70.3	154.2	-172.1	-77.8	-152.3	93.7	0	0	117.1
368	G	26	Very low	30.1	Very low	63 Å²	63	144.9 Å²	144.9	65%	0.649	78%	0.781	S	S	*	*			trans	-158.2	10.4	-178.1	0	0	0	0	0	119.6	R370	G368-R370 PolarHBondContact O-N 3.1Å
369	K	29.7	Very low	31.2	Very low	206 Å²	206	142.4 Å²	142.4	90%	0.896	78%	0.778	S	S	*	*			trans	11.1	94.8	165.8	-166.5	175.2	-163.8	158.7	0	118
370	R	25.9	Very low	33.3	Very low	248 Å²	248	137.8 Å²	137.8	94%	0.936	75%	0.753	S	S	*	*			trans	-124.5	137.3	169.6	-71.2	-169.2	-179.4	-169.1	0.5	114.2	G368	G368-R370 PolarHBondContact O-N 3.1Å
371	R	27.9	Very low	35.8	Very low	233 Å²	233	135.8 Å²	135.8	88%	0.879	74%	0.739	S	S	*	*			trans	-89.5	156.9	173.2	-67.8	172.9	163.8	168.4	-6.7	110.9
372	S	26.4	Very low	38	Very low	113 Å²	113	135.5 Å²	135.5	79%	0.79	74%	0.738	S	S	*	*	S	Bend	trans	43.4	106.3	144.9	61.5	0	0	0	0	119.9
373	G	29.5	Very low	40.1	Very low	90 Å²	90	134.8 Å²	134.8	93%	0.928	73%	0.726	S	S	*	*				59.5	108.4	123.2	0	0	0	0	0	120.1
374	G	25.7	Very low	42.1	Very low	75 Å²	75	127.1 Å²	127.1	77%	0.773	69%	0.69	S	S	*	*			trans	179	121.1	163.5	0	0	0	0	0	111.6	D376	G374-D376 PolarHBondContact O-N 2.88Å
375	A	42.6	Very low	44.6	Very low	110 Å²	110	121.4 Å²	121.4	91%	0.909	67%	0.665	S	S	*	*			trans	-89.3	89.1	180	0	0	0	0	0	111
376	D	27.2	Very low	46.7	Very low	117 Å²	117	115.7 Å²	115.7	63%	0.626	65%	0.647	S	S	*	*			trans	-93	109.4	-174.4	-162.8	-25.5	0	0	0	112.7	G374 S378	G374-D376 PolarHBondContact O-N 2.88Å; D376-S378 PolarHBondContact O-N 2.94Å; D376-S378 VanDerWaalsContact O-N 3.07Å; D376-S378 PolarHBondContact OD1-N 3.12Å; D376-S378 PolarHBondContact OD1-OG 2.87Å
377	R	42.1	Very low	49.1	Very low	249 Å²	249	108.3 Å²	108.3	94%	0.94	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	42.4	179	-68	179	66.3	-171.5	1.3	112.9
378	S	46.9	Very low	51.4	Low	47 Å²	47	100.2 Å²	100.2	33%	0.329	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-153.8	16.5	175.7	70.5	0	0	0	0	118.3	D376 L380 K578	D376-S378 PolarHBondContact O-N 2.94Å; D376-S378 VanDerWaalsContact O-N 3.07Å; D376-S378 PolarHBondContact OD1-N 3.12Å; D376-S378 PolarHBondContact OD1-OG 2.87Å; S378-L380 PolarHBondContact O-N 2.67Å; S378-K578 PolarHBondContact OG-NZ 2.82Å
379	S	52.5	Low	53.8	Low	103 Å²	103	102.9 Å²	102.9	72%	0.72	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-73.5	124.4	176.2	46.4	0	0	0	0	113.2
380	L	68.9	Low	56	Low	27 Å²	27	98.3 Å²	98.3	14%	0.141	55%	0.547	C	S	.	.	P	Polyproline II helix	trans	-73.8	157.3	163.9	-88.5	165.9	0	0	0	110.6	S378 F384 M385 L577 V579 H601	S378-L380 PolarHBondContact O-N 2.67Å; L380-F384 HydrophobicContact CB-CD1 4.4Å; L380-F384 HydrophobicContact CD1-CD1 3.82Å; L380-F384 HydrophobicContact CD1-CE1 3.78Å; L380-F384 HydrophobicContact CD2-CD1 3.69Å; L380-F384 HydrophobicContact CD2-CE1 4.01Å; L380-F384 HydrophobicContact CD2-CG 4.39Å; L380-F384 HydrophobicContact CG-CD1 4.19Å; L380-M385 HydrophobicContact CB-CE 4.46Å; L380-M385 HydrophobicContact CB-CG 4.27Å; L380-M385 HydrophobicContact CB-SD 3.66Å; L380-M385 HydrophobicContact CD1-CE 4.31Å; L380-M385 HydrophobicContact CD1-SD 3.63Å; L380-M385 HydrophobicContact CG-SD 4.3Å; L380-L577 WeakPolarHBondContact CD1-O 3.22Å; L380-V579 HydrophobicContact CD1-CG1 3.81Å; L380-H601 WeakPolarHBondContact CD2-NE2 3.36Å
381	S	76.2	Confident	58	Low	59 Å²	59	90 Å²	90	41%	0.413	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-63.2	135.6	173.1	177.8	0	0	0	0	110.8	Q383 F384 M385	S381-Q383 PolarHBondContact O-N 2.91Å; S381-Q383 PolarHBondContact OG-N 2.76Å; S381-F384 WeakPolarHBondContact O-CA 3.23Å; S381-F384 WeakPolarHBondContact O-CB 3.41Å; S381-F384 PolarHBondContact O-N 3.15Å; S381-M385 PolarHBondContact O-N 3.27Å; S381-M385 VanDerWaalsContact O-N 3.12Å
382	S	70.9	Confident	59.9	Low	99 Å²	99	82.5 Å²	82.5	69%	0.692	49%	0.492	S	S	*	.	H	α-helix	trans	-54.9	-37	174.5	50.1	0	0	0	0	112.4	F384 M385 A386	S382-F384 VanDerWaalsContact C-N 3.28Å; S382-F384 PolarHBondContact O-N 3.34Å; S382-M385 PolarHBondContact O-N 2.89Å; S382-A386 PolarHBondContact O-N 3Å
383	Q	72.1	Confident	61.4	Low	114 Å²	114	81.8 Å²	81.8	53%	0.533	48%	0.483	S	S	.	.	H	α-helix	trans	-62.4	-33.3	175.2	-168.9	-176.9	18.8	0	0	112.7	S381 Y387 V612	S381-Q383 PolarHBondContact O-N 2.91Å; S381-Q383 PolarHBondContact OG-N 2.76Å; Q383-Y387 VanDerWaalsContact O-CB 3.32Å; Q383-Y387 WeakPolarHBondContact O-CB 2.99Å; Q383-Y387 PolarHBondContact O-N 2.62Å; Q383-V612 HydrophobicContact CG-CG1 4.35Å
384	F	78	Confident	62.5	Low	2 Å²	2	84.7 Å²	84.7	1%	0.009	47%	0.466	C	S	.	.	H	α-helix	trans	-75.8	-40.6	176.1	177.5	-98.4	0	0	0	111.6	L380 S381 S382 Y387 I388 L577 V579 V593 H597	L380-F384 HydrophobicContact CB-CD1 4.4Å; L380-F384 HydrophobicContact CD1-CD1 3.82Å; L380-F384 HydrophobicContact CD1-CE1 3.78Å; L380-F384 HydrophobicContact CD2-CD1 3.69Å; L380-F384 HydrophobicContact CD2-CE1 4.01Å; L380-F384 HydrophobicContact CD2-CG 4.39Å; L380-F384 HydrophobicContact CG-CD1 4.19Å; S381-F384 WeakPolarHBondContact O-CA 3.23Å; S381-F384 WeakPolarHBondContact O-CB 3.41Å; S381-F384 PolarHBondContact O-N 3.15Å; S382-F384 VanDerWaalsContact C-N 3.28Å; S382-F384 PolarHBondContact O-N 3.34Å; F384-Y387 HydrophobicContact CD2-CD1 4.18Å; F384-Y387 HydrophobicContact CE2-CD1 4.3Å; F384-Y387 WeakPolarHBondContact O-CB 3.46Å; F384-Y387 PolarHBondContact O-N 3.09Å; F384-I388 HydrophobicContact CD1-CG1 4.24Å; F384-I388 HydrophobicContact CE1-CD1 4.37Å; F384-I388 HydrophobicContact CE1-CG1 3.79Å; F384-I388 HydrophobicContact CE2-CD1 4.05Å; F384-I388 HydrophobicContact CE2-CG1 4.08Å; F384-I388 HydrophobicContact CZ-CD1 3.79Å; F384-I388 HydrophobicContact CZ-CG1 3.7Å; F384-I388 WeakPolarHBondContact O-CG1 3.42Å; F384-I388 PolarHBondContact O-N 2.93Å; F384-L577 HydrophobicContact CZ-CD1 4.1Å; F384-V579 HydrophobicContact CE1-CG1 4.16Å; F384-V579 HydrophobicContact CE1-CG2 4.43Å; F384-V593 HydrophobicContact CD2-CG1 4.1Å; F384-V593 HydrophobicContact CE2-CG1 4.13Å; F384-H597 HydrophobicContact CD2-CB 4.35Å; F384-H597 AromaticContact CD2-CD2 3.27Å; F384-H597 WeakPolarHBondContact CD2-CD2 3.49Å; F384-H597 AromaticContact CD2-CE1 3.89Å; F384-H597 AromaticContact CD2-CG 3.63Å; F384-H597 AromaticContact CD2-ND1 3.99Å; F384-H597 AromaticContact CD2-NE2 3.48Å; F384-H597 WeakPolarHBondContact CD2-NE2 3.49Å; F384-H597 HydrophobicContact CE2-CB 3.93Å; F384-H597 AromaticContact CE2-CD2 3.52Å; F384-H597 AromaticContact CE2-CG 3.7Å; F384-H597 HydrophobicContact CZ-CB 4.16Å
385	M	80.9	Confident	63.3	Low	69 Å²	69	86.8 Å²	86.8	34%	0.34	46%	0.456	S	S	.	.	H	α-helix	trans	-61.5	-49.8	177.1	-56.1	-55.1	-103.7	0	0	110.9	L380 S381 S382 Y387 I388 E389 V579	L380-M385 HydrophobicContact CB-CE 4.46Å; L380-M385 HydrophobicContact CB-CG 4.27Å; L380-M385 HydrophobicContact CB-SD 3.66Å; L380-M385 HydrophobicContact CD1-CE 4.31Å; L380-M385 HydrophobicContact CD1-SD 3.63Å; L380-M385 HydrophobicContact CG-SD 4.3Å; S381-M385 PolarHBondContact O-N 3.27Å; S381-M385 VanDerWaalsContact O-N 3.12Å; S382-M385 PolarHBondContact O-N 2.89Å; M385-Y387 VanDerWaalsContact C-N 3.26Å; M385-Y387 PolarHBondContact O-N 3.25Å; M385-I388 PolarHBondContact O-N 3.02Å; M385-I388 VanDerWaalsContact O-N 3.1Å; M385-E389 WeakPolarHBondContact O-CG 3.25Å; M385-E389 PolarHBondContact O-N 2.93Å; M385-V579 HydrophobicContact CE-CG1 4.03Å; M385-V579 HydrophobicContact SD-CG1 3.77Å
386	A	75	Confident	62.9	Low	54 Å²	54	84.1 Å²	84.1	45%	0.446	44%	0.439	S	S	.	.	H	α-helix	trans	-61.4	-31.9	176.1	0	0	0	0	0	113.1	S382 R390	S382-A386 PolarHBondContact O-N 3Å; A386-R390 WeakPolarHBondContact O-CB 3.22Å; A386-R390 PolarHBondContact O-N 3.17Å; A386-R390 VanDerWaalsContact O-N 3.14Å
387	Y	80.1	Confident	62.8	Low	21 Å²	21	84.3 Å²	84.3	8%	0.082	45%	0.449	C	S	.	.	H	α-helix	trans	-64.9	-46.3	172.5	161.4	-105.1	0	0	0	112	Q383 F384 M385 R390 R391 D591 V593 V594 V612 P613	Q383-Y387 VanDerWaalsContact O-CB 3.32Å; Q383-Y387 WeakPolarHBondContact O-CB 2.99Å; Q383-Y387 PolarHBondContact O-N 2.62Å; F384-Y387 HydrophobicContact CD2-CD1 4.18Å; F384-Y387 HydrophobicContact CE2-CD1 4.3Å; F384-Y387 WeakPolarHBondContact O-CB 3.46Å; F384-Y387 PolarHBondContact O-N 3.09Å; M385-Y387 VanDerWaalsContact C-N 3.26Å; M385-Y387 PolarHBondContact O-N 3.25Å; Y387-R390 PolarHBondContact O-N 3.09Å; Y387-R391 HydrophobicContact CE2-CG 3.93Å; Y387-R391 PolarHBondContact O-N 3.13Å; Y387-R391 PolarHBondContact OH-NE 2.88Å; Y387-R391 PolarHBondContact OH-NH2 3.24Å; Y387-D591 PolarHBondContact OH-OD1 3.47Å; Y387-D591 PolarHBondContact OH-OD2 3.23Å; Y387-V593 HydrophobicContact CD1-CG1 3.99Å; Y387-V593 HydrophobicContact CE1-CB 4.06Å; Y387-V593 HydrophobicContact CE1-CG1 3.81Å; Y387-V594 HydrophobicContact CE1-CG2 4.42Å; Y387-V612 HydrophobicContact CG-CG1 4.39Å; Y387-P613 HydrophobicContact CD2-CG 3.84Å; Y387-P613 HydrophobicContact CE2-CG 3.78Å
388	I	75.8	Confident	62.9	Low	6 Å²	6	78 Å²	78	3%	0.031	44%	0.441	C	S	.	.	H	α-helix	trans	-67	-44.5	178.4	-63.8	-65.1	0	0	0	111.3	F384 M385 R390 R391 I392 V579 A580 L581 V594	F384-I388 HydrophobicContact CD1-CG1 4.24Å; F384-I388 HydrophobicContact CE1-CD1 4.37Å; F384-I388 HydrophobicContact CE1-CG1 3.79Å; F384-I388 HydrophobicContact CE2-CD1 4.05Å; F384-I388 HydrophobicContact CE2-CG1 4.08Å; F384-I388 HydrophobicContact CZ-CD1 3.79Å; F384-I388 HydrophobicContact CZ-CG1 3.7Å; F384-I388 WeakPolarHBondContact O-CG1 3.42Å; F384-I388 PolarHBondContact O-N 2.93Å; M385-I388 PolarHBondContact O-N 3.02Å; M385-I388 VanDerWaalsContact O-N 3.1Å; I388-R390 VanDerWaalsContact C-N 3.26Å; I388-R390 PolarHBondContact O-N 2.83Å; I388-R391 WeakPolarHBondContact O-CA 3.48Å; I388-R391 WeakPolarHBondContact O-CB 3.46Å; I388-R391 PolarHBondContact O-N 3.21Å; I388-I392 HydrophobicContact CG2-CD1 3.86Å; I388-I392 HydrophobicContact CG2-CG1 4.4Å; I388-I392 WeakPolarHBondContact O-CG1 3.36Å; I388-I392 PolarHBondContact O-N 3.08Å; I388-V579 HydrophobicContact CG2-CB 4.31Å; I388-A580 WeakPolarHBondContact CG2-O 3.44Å; I388-L581 HydrophobicContact CD1-CD2 4.37Å; I388-V594 HydrophobicContact CD1-CG2 4Å
389	E	75.9	Confident	62	Low	119 Å²	119	82.5 Å²	82.5	56%	0.556	47%	0.466	S	S	*	.	H	α-helix	trans	-58.7	-38.2	176.8	-71.4	167.6	-176.6	0	0	111.9	M385 R391 I392 T393	M385-E389 WeakPolarHBondContact O-CG 3.25Å; M385-E389 PolarHBondContact O-N 2.93Å; E389-R391 VanDerWaalsContact C-N 3.31Å; E389-R391 PolarHBondContact O-N 3.35Å; E389-I392 PolarHBondContact O-N 3.48Å; E389-T393 WeakPolarHBondContact O-CB 3.37Å; E389-T393 WeakPolarHBondContact O-CG2 3.45Å; E389-T393 PolarHBondContact O-N 2.89Å; E389-T393 PolarHBondContact O-OG1 3.34Å
390	R	75	Confident	61	Low	109 Å²	109	86.5 Å²	86.5	41%	0.411	47%	0.471	S	S	.	.	H	α-helix	trans	-71.6	-20.3	175	-160.6	178.4	-165.2	-166.7	6.7	113.8	A386 Y387 I388 R394 P615	A386-R390 WeakPolarHBondContact O-CB 3.22Å; A386-R390 PolarHBondContact O-N 3.17Å; A386-R390 VanDerWaalsContact O-N 3.14Å; Y387-R390 PolarHBondContact O-N 3.09Å; I388-R390 VanDerWaalsContact C-N 3.26Å; I388-R390 PolarHBondContact O-N 2.83Å; R390-R394 WeakPolarHBondContact O-CG 3.38Å; R390-P615 PolarHBondContact NH1-O 3.12Å
391	R	69.3	Low	59	Low	73 Å²	73	93.2 Å²	93.2	28%	0.275	51%	0.507	S	S	.	.	H	α-helix	trans	-77.7	-46.9	169.3	-75.4	-70	-155	145.1	6.8	110.9	Y387 I388 E389 P582 A587 D591	Y387-R391 HydrophobicContact CE2-CG 3.93Å; Y387-R391 PolarHBondContact O-N 3.13Å; Y387-R391 PolarHBondContact OH-NE 2.88Å; Y387-R391 PolarHBondContact OH-NH2 3.24Å; I388-R391 WeakPolarHBondContact O-CA 3.48Å; I388-R391 WeakPolarHBondContact O-CB 3.46Å; I388-R391 PolarHBondContact O-N 3.21Å; E389-R391 VanDerWaalsContact C-N 3.31Å; E389-R391 PolarHBondContact O-N 3.35Å; R391-P582 HydrophobicContact CB-CG 3.99Å; R391-A587 PolarHBondContact NH1-O 2.82Å; R391-A587 PolarHBondContact NH2-O 2.85Å; R391-D591 IonicContact CZ-OD2 3.77Å; R391-D591 IonicContact NE-OD2 2.66Å; R391-D591 IonicContact NH2-OD2 2.75Å; R391-D591 PolarHBondContact NH2-OD2 3.28Å
392	I	67.1	Low	56.5	Low	76 Å²	76	95.3 Å²	95.3	39%	0.39	52%	0.521	S	S	.	.	H	α-helix	trans	-62.4	-48.5	180	-62.8	165.2	0	0	0	111.1	I388 E389 R394 E395 A580	I388-I392 HydrophobicContact CG2-CD1 3.86Å; I388-I392 HydrophobicContact CG2-CG1 4.4Å; I388-I392 WeakPolarHBondContact O-CG1 3.36Å; I388-I392 PolarHBondContact O-N 3.08Å; E389-I392 PolarHBondContact O-N 3.48Å; I392-R394 PolarHBondContact O-N 3.06Å; I392-R394 VanDerWaalsContact O-N 3.14Å; I392-E395 PolarHBondContact O-N 2.76Å; I392-A580 HydrophobicContact CD1-CB 4.36Å
393	T	57.8	Low	54.5	Low	98 Å²	98	99.2 Å²	99.2	60%	0.601	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-11.3	-174.6	47.8	0	0	0	0	115	E389	E389-T393 WeakPolarHBondContact O-CB 3.37Å; E389-T393 WeakPolarHBondContact O-CG2 3.45Å; E389-T393 PolarHBondContact O-N 2.89Å; E389-T393 PolarHBondContact O-OG1 3.34Å
394	R	52.8	Low	52.4	Low	151 Å²	151	98.1 Å²	98.1	57%	0.57	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-14.7	178.7	-84.9	-178.7	161.2	-179.6	-5	114.7	R390 I392 G396	R390-R394 WeakPolarHBondContact O-CG 3.38Å; I392-R394 PolarHBondContact O-N 3.06Å; I392-R394 VanDerWaalsContact O-N 3.14Å; R394-G396 VanDerWaalsContact C-N 3.33Å
395	E	41.8	Very low	49.9	Very low	119 Å²	119	109.8 Å²	109.8	56%	0.556	59%	0.588	S	S	*	*	S	Bend	trans	-82.5	-9.6	177.2	-65.4	-96	90.8	0	0	112.6	I392 S583	I392-E395 PolarHBondContact O-N 2.76Å; E395-S583 VanDerWaalsContact OE2-CB 3.31Å; E395-S583 WeakPolarHBondContact OE2-CB 3.43Å; E395-S583 PolarHBondContact OE2-OG 2.9Å
396	G	34.2	Very low	47.4	Very low	54 Å²	54	109.8 Å²	109.8	56%	0.557	60%	0.599	S	S	*	*			trans	-122.8	112.9	-174.8	0	0	0	0	0	113.9	R394	R394-G396 VanDerWaalsContact C-N 3.33Å
397	S	24.9	Very low	45.1	Very low	121 Å²	121	116.2 Å²	116.2	85%	0.846	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-84.6	145.9	170.1	-154.9	0	0	0	0	110.7
398	P	44.5	Very low	42.6	Very low	117 Å²	117	121.1 Å²	121.1	76%	0.76	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-90.8	146.1	-151.2	33.8	-36.7	0	0	0	115.5
399	V	27.6	Very low	40.3	Very low	142 Å²	142	126.4 Å²	126.4	86%	0.861	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-93.4	124.9	159	-179.8	0	0	0	0	108.7
400	K	32.3	Very low	38	Very low	187 Å²	187	127.4 Å²	127.4	81%	0.813	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-66.8	140.3	174	-60.5	174.8	-178.5	176.1	0	110
401	N	26.1	Very low	35.6	Very low	168 Å²	168	131.5 Å²	131.5	90%	0.898	69%	0.691	S	S	*	*			trans	-142	95.1	151.5	-113.8	-19	0	0	0	110.6
402	S	25	Very low	33.5	Very low	103 Å²	103	136 Å²	136	72%	0.72	72%	0.715	S	S	*	*			trans	-95.8	117.7	171.9	52.9	0	0	0	0	109.7
403	L	28.1	Very low	31.4	Very low	180 Å²	180	136.5 Å²	136.5	94%	0.942	73%	0.726	S	S	*	*			trans	-136.2	144	156.8	-90.6	176.7	0	0	0	109.1
404	A	28	Very low	29.9	Very low	91 Å²	91	142 Å²	142	75%	0.752	74%	0.735	S	S	*	*			trans	-126.9	152.4	-167	0	0	0	0	0	111.9
405	R	26.3	Very low	28.6	Very low	247 Å²	247	140.9 Å²	140.9	93%	0.932	74%	0.741	S	S	*	*			trans	173.8	159.6	150.6	-100.3	160.9	168.4	161.8	-2.4	109.2
406	A	27.2	Very low	27.8	Very low	70 Å²	70	143.3 Å²	143.3	58%	0.579	75%	0.754	S	S	*	*			cis	-179.8	164.8	-32.8	0	0	0	0	0	107.3
407	E	28.1	Very low	27.4	Very low	188 Å²	188	144.6 Å²	144.6	88%	0.879	76%	0.759	S	S	*	*			trans	66.8	151.2	162.4	-70.2	168.1	-138.5	0	0	117.6
408	D	27.5	Very low	27.3	Very low	124 Å²	124	146.9 Å²	146.9	66%	0.663	76%	0.762	S	S	*	*			cis	-156.6	162.2	-29.9	-166.2	25.1	0	0	0	111.9
409	M	27.3	Very low	26.3	Very low	117 Å²	117	144.5 Å²	144.5	58%	0.576	76%	0.759	S	S	*	*			trans	19.1	135.5	155.2	-85.8	-164.3	-67.6	0	0	124.7
410	K	26.6	Very low	26.3	Very low	140 Å²	140	144.6 Å²	144.6	61%	0.609	76%	0.759	S	S	*	*				90.6	114.8	127.5	-78.8	171.3	176.5	149.2	0	122
411	R	25.2	Very low	25.9	Very low	195 Å²	195	140.8 Å²	140.8	74%	0.736	76%	0.756	S	S	*	*				81.9	119.6	120.2	-72.7	178.2	177.9	-174.3	-2.6	121.4
412	H	25.7	Very low	25.8	Very low	167 Å²	167	137 Å²	137	77%	0.773	75%	0.748	S	S	*	*				82.3	121.7	123.6	-75.4	26	0	0	0	120.6
413	S	23.3	Very low	25.9	Very low	88 Å²	88	138 Å²	138	62%	0.615	76%	0.755	S	S	*	*				95.4	119.1	117.4	172.9	0	0	0	0	120.7
414	R	25.1	Very low	25.9	Very low	214 Å²	214	134.2 Å²	134.2	81%	0.808	74%	0.744	S	S	*	*			trans	82.4	113.9	143.4	-75.4	171.6	-171.8	173.7	1.9	120.9
415	N	25.2	Very low	26	Very low	127 Å²	127	134.6 Å²	134.6	68%	0.679	74%	0.741	S	S	*	*				87	120.5	115.6	-71.3	20.7	0	0	0	122.6
416	M	25.7	Very low	26.1	Very low	170 Å²	170	128.1 Å²	128.1	84%	0.837	73%	0.734	S	S	*	*				93.6	151.6	123.4	-70.8	-75.7	-179.7	0	0	122.1
417	A	25.3	Very low	26.4	Very low	81 Å²	81	133.8 Å²	133.8	67%	0.669	75%	0.748	S	S	*	*			trans	82	93.3	156.4	0	0	0	0	0	120.6
418	D	23.1	Very low	26.6	Very low	168 Å²	168	129.4 Å²	129.4	90%	0.898	74%	0.738	S	S	*	*				48	143.7	110.5	-53.3	-34	0	0	0	123.6
419	G	24.4	Very low	26.9	Very low	67 Å²	67	130.6 Å²	130.6	69%	0.691	74%	0.74	S	S	*	*			trans	130.3	105.4	167.5	0	0	0	0	0	113.1
420	V	25.9	Very low	27.2	Very low	144 Å²	144	135.7 Å²	135.7	87%	0.873	75%	0.752	S	S	*	*			cis	66.8	120.4	42.1	-168.7	0	0	0	0	110.9
421	S	24.2	Very low	27.4	Very low	108 Å²	108	133.8 Å²	133.8	76%	0.755	76%	0.763	S	S	*	*			cis	-162.5	150.5	9	45.8	0	0	0	0	116.1
422	A	24.7	Very low	27.8	Very low	87 Å²	87	127.6 Å²	127.6	72%	0.719	76%	0.76	S	S	*	*			trans	32.6	135.8	136.8	0	0	0	0	0	126.3
423	S	26.3	Very low	28.2	Very low	124 Å²	124	126.2 Å²	126.2	87%	0.867	77%	0.769	S	S	*	*			trans	72.8	162.7	141.8	81.1	0	0	0	0	119
424	S	29.1	Very low	28.6	Very low	102 Å²	102	125.6 Å²	125.6	71%	0.713	78%	0.776	S	S	*	*			cis	-160.9	175.7	2	102	0	0	0	0	108.4
425	S	29.2	Very low	29.2	Very low	98 Å²	98	122 Å²	122	69%	0.685	79%	0.785	S	S	*	*			cis	-175	-155.9	-16.4	56.6	0	0	0	0	109.1
426	S	28.8	Very low	29.6	Very low	112 Å²	112	119.6 Å²	119.6	78%	0.783	79%	0.79	S	S	*	*			trans	75	151.4	173.8	81.2	0	0	0	0	118
427	Q	32.9	Very low	30.5	Very low	189 Å²	189	117.6 Å²	117.6	88%	0.883	79%	0.792	S	S	*	*			cis	169.8	159.8	-24.8	-104.2	-176.7	7.3	0	0	106.6
428	S	34.1	Very low	31.4	Very low	95 Å²	95	116.4 Å²	116.4	66%	0.664	79%	0.788	S	S	*	*			cis	-172.2	170.7	-10	-171.1	0	0	0	0	112.9
429	Q	33.6	Very low	32.7	Very low	149 Å²	149	111 Å²	111	70%	0.696	77%	0.772	S	S	*	*			trans	72.5	165.8	166.5	-58	-173.4	88.6	0	0	118.5
430	R	32.6	Very low	34.2	Very low	224 Å²	224	112.2 Å²	112.2	85%	0.845	77%	0.766	S	S	*	*			cis	-172.3	176.8	-22.1	-102.3	-177.4	168.9	145.5	-11.5	107
431	A	32.3	Very low	35.6	Very low	101 Å²	101	111.4 Å²	111.4	84%	0.835	75%	0.753	S	S	*	*			cis	-170.4	179.3	-18.9	0	0	0	0	0	106.6
432	G	31.7	Very low	37.2	Very low	65 Å²	65	115.9 Å²	115.9	67%	0.67	75%	0.753	S	S	*	*			cis	170	177	-1.6	0	0	0	0	0	112.6
433	S	35	Very low	39.1	Very low	137 Å²	137	118.6 Å²	118.6	96%	0.958	75%	0.752	S	S	*	*			trans	74.4	149.2	175.6	79	0	0	0	0	119.9
434	G	31.6	Very low	41.2	Very low	75 Å²	75	119.4 Å²	119.4	77%	0.773	74%	0.736	S	S	*	*			cis	173.9	146.3	-13.8	0	0	0	0	0	117.8
435	S	37.6	Very low	43.4	Very low	140 Å²	140	123.4 Å²	123.4	98%	0.979	74%	0.736	S	S	*	*			trans	79.9	143.5	160.7	-155	0	0	0	0	123
436	G	34.8	Very low	45.8	Very low	76 Å²	76	125.2 Å²	125.2	78%	0.784	73%	0.733	S	S	*	*			trans	150.1	90.3	166.1	0	0	0	0	0	116.1
437	S	44.5	Very low	47.8	Very low	127 Å²	127	122.8 Å²	122.8	89%	0.888	72%	0.72	S	S	*	*			trans	-133.2	114.9	179.2	-170.7	0	0	0	0	113.2
438	G	43.1	Very low	50.3	Low	57 Å²	57	119.6 Å²	119.6	59%	0.588	71%	0.705	S	S	*	*			trans	178.6	-15.4	178.5	0	0	0	0	0	116.6
439	G	51.5	Low	52.6	Low	55 Å²	55	120.2 Å²	120.2	57%	0.567	70%	0.7	S	S	*	*	H	α-helix	trans	-75.8	-30.7	178	0	0	0	0	0	114.8	R442 M443	G439-R442 PolarHBondContact O-N 3.24Å; G439-M443 PolarHBondContact O-N 2.83Å; G439-M443 VanDerWaalsContact O-N 3.16Å
440	V	55.7	Low	54.8	Low	92 Å²	92	116 Å²	116	56%	0.558	69%	0.692	S	S	*	*	H	α-helix	trans	-65.9	-45	-168	-174.3	0	0	0	0	112.5	R442 M443 R444	V440-R442 VanDerWaalsContact C-N 3.32Å; V440-R442 PolarHBondContact O-N 2.63Å; V440-M443 PolarHBondContact O-N 3.09Å; V440-R444 WeakPolarHBondContact O-CB 3.33Å; V440-R444 PolarHBondContact O-N 2.82Å
441	E	54.2	Low	57	Low	127 Å²	127	108 Å²	108	59%	0.593	67%	0.673	S	S	*	*	H	α-helix	trans	-61.2	-38.5	177.1	-114.7	57.8	-104.8	0	0	113	R444 R445	E441-R444 IonicContact OE1-CZ 2.75Å; E441-R444 IonicContact OE1-NH1 3.65Å; E441-R444 PolarHBondContact OE1-NH1 3.39Å; E441-R445 PolarHBondContact O-N 3.47Å
442	R	59.1	Low	59.6	Low	202 Å²	202	108.9 Å²	108.9	76%	0.762	66%	0.663	S	S	*	*	H	α-helix	trans	-66.8	-47.9	179.9	-167.9	-178.2	-65.8	-153.5	1.3	110.5	G439 V440 R444 R445 E446	G439-R442 PolarHBondContact O-N 3.24Å; V440-R442 VanDerWaalsContact C-N 3.32Å; V440-R442 PolarHBondContact O-N 2.63Å; R442-R444 VanDerWaalsContact C-N 3.35Å; R442-R444 PolarHBondContact O-N 3.2Å; R442-R445 PolarHBondContact O-N 3.37Å; R442-E446 PolarHBondContact O-N 3.3Å; R442-E446 VanDerWaalsContact O-N 3.1Å
443	M	64.5	Low	62.2	Low	143 Å²	143	115 Å²	115	70%	0.704	67%	0.666	S	S	*	*	H	α-helix	trans	-62.9	-38.8	177.9	-173.7	169.6	-77.7	0	0	112.4	G439 V440 R445 E446 A447	G439-M443 PolarHBondContact O-N 2.83Å; G439-M443 VanDerWaalsContact O-N 3.16Å; V440-M443 PolarHBondContact O-N 3.09Å; M443-R445 PolarHBondContact O-N 3.28Å; M443-E446 PolarHBondContact O-N 3.13Å; M443-A447 WeakPolarHBondContact O-CB 3.49Å; M443-A447 PolarHBondContact O-N 3.25Å
444	R	68.8	Low	64.7	Low	141 Å²	141	115.6 Å²	115.6	53%	0.532	65%	0.648	S	S	.	*	H	α-helix	trans	-61.1	-42	175.5	178.1	176.3	-78.1	133.4	-4.8	112.5	V440 E441 R442 Q448	V440-R444 WeakPolarHBondContact O-CB 3.33Å; V440-R444 PolarHBondContact O-N 2.82Å; E441-R444 IonicContact OE1-CZ 2.75Å; E441-R444 IonicContact OE1-NH1 3.65Å; E441-R444 PolarHBondContact OE1-NH1 3.39Å; R442-R444 VanDerWaalsContact C-N 3.35Å; R442-R444 PolarHBondContact O-N 3.2Å; R444-Q448 WeakPolarHBondContact O-CG 3.42Å; R444-Q448 PolarHBondContact O-N 2.82Å
445	R	77	Confident	67.2	Low	187 Å²	187	115.9 Å²	115.9	71%	0.706	63%	0.632	S	S	*	*	H	α-helix	trans	-69.8	-38.8	177.7	179.4	173.7	-75.9	170.5	-3.3	112.4	E441 R442 M443 Q448 L449	E441-R445 PolarHBondContact O-N 3.47Å; R442-R445 PolarHBondContact O-N 3.37Å; M443-R445 PolarHBondContact O-N 3.28Å; R445-Q448 PolarHBondContact O-N 3.21Å; R445-L449 PolarHBondContact O-N 2.91Å
446	E	78.8	Confident	69.6	Low	135 Å²	135	114.1 Å²	114.1	63%	0.631	61%	0.608	S	S	*	*	H	α-helix	trans	-66.4	-42.7	179.2	-170.5	165.2	-164.3	0	0	112	R442 M443 Q448 L449 A450	R442-E446 PolarHBondContact O-N 3.3Å; R442-E446 VanDerWaalsContact O-N 3.1Å; M443-E446 PolarHBondContact O-N 3.13Å; E446-Q448 VanDerWaalsContact C-N 3.31Å; E446-Q448 PolarHBondContact O-N 2.8Å; E446-L449 PolarHBondContact O-N 3.18Å; E446-A450 PolarHBondContact O-N 2.8Å
447	A	71.3	Confident	71.9	Confident	61 Å²	61	116.3 Å²	116.3	50%	0.504	60%	0.598	S	S	.	*	H	α-helix	trans	-59.7	-37.2	175.2	0	0	0	0	0	113.3	M443 A450 A451	M443-A447 WeakPolarHBondContact O-CB 3.49Å; M443-A447 PolarHBondContact O-N 3.25Å; A447-A450 PolarHBondContact O-N 3.42Å; A447-A451 PolarHBondContact O-N 2.91Å; A447-A451 VanDerWaalsContact O-N 3.09Å
448	Q	84	Confident	73.6	Confident	123 Å²	123	118 Å²	118	58%	0.575	59%	0.585	S	S	*	*	H	α-helix	trans	-66.7	-38.3	176.7	-73.4	175.2	-18.7	0	0	112.6	R444 R445 E446 A451 L452	R444-Q448 WeakPolarHBondContact O-CG 3.42Å; R444-Q448 PolarHBondContact O-N 2.82Å; R445-Q448 PolarHBondContact O-N 3.21Å; E446-Q448 VanDerWaalsContact C-N 3.31Å; E446-Q448 PolarHBondContact O-N 2.8Å; Q448-A451 PolarHBondContact O-N 3.15Å; Q448-L452 PolarHBondContact O-N 2.7Å
449	L	82.5	Confident	75.4	Confident	107 Å²	107	122.1 Å²	122.1	56%	0.56	59%	0.589	S	S	*	*	H	α-helix	trans	-70.4	-34.1	176.2	-68.9	171.3	0	0	0	112.3	R445 E446 R453	R445-L449 PolarHBondContact O-N 2.91Å; E446-L449 PolarHBondContact O-N 3.18Å; L449-R453 PolarHBondContact O-N 3.23Å
450	A	79.7	Confident	76.9	Confident	62 Å²	62	124.7 Å²	124.7	51%	0.512	58%	0.584	S	S	.	*	H	α-helix	trans	-64.8	-43.1	173.3	0	0	0	0	0	112.1	E446 A447 L452 R453 Y454	E446-A450 PolarHBondContact O-N 2.8Å; A447-A450 PolarHBondContact O-N 3.42Å; A450-L452 PolarHBondContact O-N 3.02Å; A450-R453 PolarHBondContact O-N 3Å; A450-Y454 PolarHBondContact O-N 2.66Å; A450-Y454 VanDerWaalsContact O-N 3.17Å
451	A	78.6	Confident	77.6	Confident	54 Å²	54	124.9 Å²	124.9	45%	0.446	58%	0.583	S	S	.	*	H	α-helix	trans	-60.7	-45.3	177.8	0	0	0	0	0	112.6	A447 Q448 R453 Y454 D455	A447-A451 PolarHBondContact O-N 2.91Å; A447-A451 VanDerWaalsContact O-N 3.09Å; Q448-A451 PolarHBondContact O-N 3.15Å; A451-R453 PolarHBondContact O-N 2.86Å; A451-Y454 PolarHBondContact O-N 3.41Å; A451-D455 PolarHBondContact O-N 3.03Å; A451-D455 VanDerWaalsContact O-N 3.1Å
452	L	88.8	Confident	78.5	Confident	121 Å²	121	126.7 Å²	126.7	63%	0.634	58%	0.584	S	S	*	*	H	α-helix	trans	-61.7	-39.5	178.8	-72	171.3	0	0	0	112.9	Q448 A450 D455 E456	Q448-L452 PolarHBondContact O-N 2.7Å; A450-L452 PolarHBondContact O-N 3.02Å; L452-D455 PolarHBondContact O-N 3.4Å; L452-E456 PolarHBondContact O-N 3.36Å; L452-E456 VanDerWaalsContact O-N 3.08Å
453	R	86.1	Confident	79.1	Confident	192 Å²	192	119.5 Å²	119.5	73%	0.725	56%	0.564	S	S	*	*	H	α-helix	trans	-64.6	-40.2	175.5	-73.9	-174.9	175.7	-168.8	-0.3	112.3	L449 A450 A451 E456 E457	L449-R453 PolarHBondContact O-N 3.23Å; A450-R453 PolarHBondContact O-N 3Å; A451-R453 PolarHBondContact O-N 2.86Å; R453-E456 PolarHBondContact O-N 2.94Å; R453-E457 WeakPolarHBondContact O-CB 3.28Å; R453-E457 PolarHBondContact O-N 3.33Å
454	Y	86.3	Confident	79.4	Confident	150 Å²	150	118 Å²	118	59%	0.588	56%	0.559	S	S	*	*	H	α-helix	trans	-63.3	-43	177.9	179.1	-101.3	0	0	0	112	A450 A451 E457 R458	A450-Y454 PolarHBondContact O-N 2.66Å; A450-Y454 VanDerWaalsContact O-N 3.17Å; A451-Y454 PolarHBondContact O-N 3.41Å; Y454-E457 PolarHBondContact O-N 3.12Å; Y454-R458 VanDerWaalsContact O-CB 3.29Å; Y454-R458 WeakPolarHBondContact O-CB 3.31Å; Y454-R458 PolarHBondContact O-N 2.99Å
455	D	84.3	Confident	79.1	Confident	81 Å²	81	118.2 Å²	118.2	43%	0.433	57%	0.566	S	S	.	*	H	α-helix	trans	-68.3	-35.8	176.2	-83.9	-33.5	0	0	0	112.7	A451 L452 R458 Q459	A451-D455 PolarHBondContact O-N 3.03Å; A451-D455 VanDerWaalsContact O-N 3.1Å; L452-D455 PolarHBondContact O-N 3.4Å; D455-R458 PolarHBondContact O-N 3.38Å; D455-Q459 WeakPolarHBondContact O-CG 3.43Å; D455-Q459 PolarHBondContact O-N 2.88Å
456	E	88.4	Confident	78.6	Confident	103 Å²	103	116 Å²	116	48%	0.481	56%	0.558	S	S	.	*	H	α-helix	trans	-63.5	-45.8	173.7	-163.1	-161.9	159.7	0	0	111.7	L452 R453 R458 Q459 K460	L452-E456 PolarHBondContact O-N 3.36Å; L452-E456 VanDerWaalsContact O-N 3.08Å; R453-E456 PolarHBondContact O-N 2.94Å; E456-R458 VanDerWaalsContact C-N 3.33Å; E456-R458 PolarHBondContact O-N 3.36Å; E456-Q459 PolarHBondContact O-N 3.22Å; E456-K460 WeakPolarHBondContact O-CG 3.28Å; E456-K460 PolarHBondContact O-N 3.06Å; E456-K460 WeakPolarHBondContact OE1-CE 3.38Å; E456-K460 IonicContact OE1-NZ 2.61Å; E456-K460 PolarHBondContact OE1-NZ 3.45Å
457	E	81.9	Confident	77.8	Confident	123 Å²	123	114 Å²	114	58%	0.575	55%	0.551	S	S	*	*	H	α-helix	trans	-65	-36.3	176.5	-175.7	168.4	-146.7	0	0	112.1	R453 Y454 K460 N461	R453-E457 WeakPolarHBondContact O-CB 3.28Å; R453-E457 PolarHBondContact O-N 3.33Å; Y454-E457 PolarHBondContact O-N 3.12Å; E457-K460 PolarHBondContact O-N 3.43Å; E457-N461 PolarHBondContact O-N 3.08Å; E457-N461 PolarHBondContact O-ND2 3.35Å
458	R	81.4	Confident	77.3	Confident	163 Å²	163	113.8 Å²	113.8	62%	0.615	55%	0.546	S	S	*	.	H	α-helix	trans	-66.9	-36.1	173.3	-166.1	178.2	-173.4	-164	3.8	112.2	Y454 D455 E456 R462	Y454-R458 VanDerWaalsContact O-CB 3.29Å; Y454-R458 WeakPolarHBondContact O-CB 3.31Å; Y454-R458 PolarHBondContact O-N 2.99Å; D455-R458 PolarHBondContact O-N 3.38Å; E456-R458 VanDerWaalsContact C-N 3.33Å; E456-R458 PolarHBondContact O-N 3.36Å; R458-R462 PolarHBondContact O-N 2.86Å; R458-R462 VanDerWaalsContact O-N 3.15Å
459	Q	81.4	Confident	76.2	Confident	142 Å²	142	112.1 Å²	112.1	66%	0.664	54%	0.544	S	S	*	.	H	α-helix	trans	-68	-41.9	173.5	-74	-177	39.5	0	0	112.1	D455 E456 R462 S463	D455-Q459 WeakPolarHBondContact O-CG 3.43Å; D455-Q459 PolarHBondContact O-N 2.88Å; E456-Q459 PolarHBondContact O-N 3.22Å; Q459-R462 CarbonylContact O-C 3.57Å; Q459-R462 WeakPolarHBondContact O-CA 3.39Å; Q459-R462 WeakPolarHBondContact O-CB 3.46Å; Q459-R462 PolarHBondContact O-N 3.25Å; Q459-S463 PolarHBondContact O-N 3.43Å
460	K	81.6	Confident	75.3	Confident	109 Å²	109	110.8 Å²	110.8	47%	0.474	54%	0.54	S	S	.	.	H	α-helix	trans	-61.6	-42.6	175.1	-71.3	171.3	-174.8	168.8	0	112.6	E456 E457 R462 S463 L464	E456-K460 WeakPolarHBondContact O-CG 3.28Å; E456-K460 PolarHBondContact O-N 3.06Å; E456-K460 WeakPolarHBondContact OE1-CE 3.38Å; E456-K460 IonicContact OE1-NZ 2.61Å; E456-K460 PolarHBondContact OE1-NZ 3.45Å; E457-K460 PolarHBondContact O-N 3.43Å; K460-R462 PolarHBondContact O-N 2.88Å; K460-S463 PolarHBondContact O-N 2.95Å; K460-S463 PolarHBondContact O-OG 3.49Å; K460-L464 WeakPolarHBondContact O-CG 3.37Å; K460-L464 PolarHBondContact O-N 3.48Å; K460-L464 VanDerWaalsContact O-N 3.09Å
461	N	70.8	Confident	74	Confident	97 Å²	97	110.4 Å²	110.4	52%	0.519	53%	0.534	S	S	.	.	H	α-helix	trans	-61.5	-34.3	172	-81.8	-75.9	0	0	0	112.2	E457 Q465	E457-N461 PolarHBondContact O-N 3.08Å; E457-N461 PolarHBondContact O-ND2 3.35Å; N461-Q465 WeakPolarHBondContact O-CB 3.44Å; N461-Q465 PolarHBondContact O-N 3.41Å
462	R	74.1	Confident	72.7	Confident	164 Å²	164	116.8 Å²	116.8	62%	0.619	55%	0.548	S	S	*	.	H	α-helix	trans	-75.8	-23.2	177.2	-161.2	179.8	-175.8	-150.2	2.6	114.1	R458 Q459 K460 R466	R458-R462 PolarHBondContact O-N 2.86Å; R458-R462 VanDerWaalsContact O-N 3.15Å; Q459-R462 CarbonylContact O-C 3.57Å; Q459-R462 WeakPolarHBondContact O-CA 3.39Å; Q459-R462 WeakPolarHBondContact O-CB 3.46Å; Q459-R462 PolarHBondContact O-N 3.25Å; K460-R462 PolarHBondContact O-N 2.88Å; R462-R466 PolarHBondContact O-N 3.13Å
463	S	71	Confident	70.9	Confident	51 Å²	51	114.7 Å²	114.7	36%	0.357	54%	0.543	S	S	.	.	H	α-helix	trans	-76.4	-48.9	169	60.1	0	0	0	0	111	Q459 K460 Q465 R466 D467	Q459-S463 PolarHBondContact O-N 3.43Å; K460-S463 PolarHBondContact O-N 2.95Å; K460-S463 PolarHBondContact O-OG 3.49Å; S463-Q465 PolarHBondContact O-N 3.27Å; S463-Q465 VanDerWaalsContact O-N 3.12Å; S463-R466 WeakPolarHBondContact O-CA 3.3Å; S463-R466 WeakPolarHBondContact O-CB 3.38Å; S463-R466 PolarHBondContact O-N 2.93Å; S463-D467 VanDerWaalsContact O-CG 3.29Å; S463-D467 PolarHBondContact O-N 3.34Å; S463-D467 VanDerWaalsContact O-OD2 3.09Å
464	L	71.3	Confident	69.2	Low	113 Å²	113	113.7 Å²	113.7	59%	0.592	54%	0.544	S	S	*	.	H	α-helix	trans	-54.1	-36.3	175.4	-67.4	169.8	0	0	0	112.5	K460 S468	K460-L464 WeakPolarHBondContact O-CG 3.37Å; K460-L464 PolarHBondContact O-N 3.48Å; K460-L464 VanDerWaalsContact O-N 3.09Å; L464-S468 PolarHBondContact O-N 3.21Å; L464-S468 VanDerWaalsContact O-N 3.14Å; L464-S468 PolarHBondContact O-OG 3.33Å
465	Q	61.4	Low	67.5	Low	145 Å²	145	114 Å²	114	68%	0.678	55%	0.55	S	S	*	*	H	α-helix	trans	-77.5	-13.6	175.8	-161.7	165.2	46.7	0	0	114.5	N461 S463 S468 V469	N461-Q465 WeakPolarHBondContact O-CB 3.44Å; N461-Q465 PolarHBondContact O-N 3.41Å; S463-Q465 PolarHBondContact O-N 3.27Å; S463-Q465 VanDerWaalsContact O-N 3.12Å; Q465-S468 WeakPolarHBondContact CA-OG 3.48Å; Q465-S468 PolarHBondContact O-OG 3.34Å; Q465-V469 VanDerWaalsContact O-CG2 3.27Å; Q465-V469 WeakPolarHBondContact O-CG2 3.42Å
466	R	67.3	Low	65.5	Low	141 Å²	141	118.9 Å²	118.9	53%	0.532	57%	0.568	S	S	.	*	H	α-helix	trans	-85.2	-41.8	165.2	-77.1	-166.6	-178.7	101.7	-14.7	112.1	R462 S463 S468 V469 T470	R462-R466 PolarHBondContact O-N 3.13Å; S463-R466 WeakPolarHBondContact O-CA 3.3Å; S463-R466 WeakPolarHBondContact O-CB 3.38Å; S463-R466 PolarHBondContact O-N 2.93Å; R466-S468 VanDerWaalsContact C-N 3.3Å; R466-S468 PolarHBondContact O-N 3.45Å; R466-V469 WeakPolarHBondContact O-CA 3Å; R466-V469 PolarHBondContact O-N 3.46Å; R466-T470 PolarHBondContact O-N 2.82Å; R466-T470 PolarHBondContact O-OG1 3.11Å
467	D	62.6	Low	63.1	Low	93 Å²	93	118.2 Å²	118.2	50%	0.497	58%	0.58	S	S	.	*	H	α-helix	trans	-68.9	-31.6	-174.9	-56.9	-34.3	0	0	0	111.9	S463 T470 S471	S463-D467 VanDerWaalsContact O-CG 3.29Å; S463-D467 PolarHBondContact O-N 3.34Å; S463-D467 VanDerWaalsContact O-OD2 3.09Å; D467-T470 PolarHBondContact O-OG1 2.99Å; D467-S471 WeakPolarHBondContact O-CB 3.3Å; D467-S471 PolarHBondContact O-N 3.19Å; D467-S471 VanDerWaalsContact O-N 3.16Å; D467-S471 PolarHBondContact O-OG 3.27Å
468	S	59.4	Low	61.3	Low	55 Å²	55	116.1 Å²	116.1	39%	0.385	58%	0.584	S	S	.	*	H	α-helix	trans	-68.2	-31.8	167.3	46.8	0	0	0	0	113.6	L464 Q465 R466 S471 Y472	L464-S468 PolarHBondContact O-N 3.21Å; L464-S468 VanDerWaalsContact O-N 3.14Å; L464-S468 PolarHBondContact O-OG 3.33Å; Q465-S468 WeakPolarHBondContact CA-OG 3.48Å; Q465-S468 PolarHBondContact O-OG 3.34Å; R466-S468 VanDerWaalsContact C-N 3.3Å; R466-S468 PolarHBondContact O-N 3.45Å; S468-S471 WeakPolarHBondContact CA-OG 3.22Å; S468-S471 PolarHBondContact O-OG 3.29Å; S468-S471 VanDerWaalsContact O-OG 3.05Å; S468-Y472 WeakPolarHBondContact O-CD2 3.26Å; S468-Y472 PolarHBondContact O-N 3.42Å
469	V	62.1	Low	59.4	Low	88 Å²	88	116.6 Å²	116.6	53%	0.533	59%	0.593	S	S	.	*	H	α-helix	trans	-78.7	-40.5	177.9	171.8	0	0	0	0	111.5	Q465 R466 Y472 S473	Q465-V469 VanDerWaalsContact O-CG2 3.27Å; Q465-V469 WeakPolarHBondContact O-CG2 3.42Å; R466-V469 WeakPolarHBondContact O-CA 3Å; R466-V469 PolarHBondContact O-N 3.46Å; V469-Y472 PolarHBondContact O-N 3.13Å; V469-S473 PolarHBondContact O-N 3.41Å; V469-S473 PolarHBondContact O-OG 3.47Å; V469-S473 VanDerWaalsContact O-OG 3.06Å
470	T	62.2	Low	57.2	Low	80 Å²	80	115.3 Å²	115.3	49%	0.491	60%	0.6	S	S	.	*	H	α-helix	trans	-70.1	-32.9	177.8	54.1	0	0	0	0	112.9	R466 D467 S473 K474	R466-T470 PolarHBondContact O-N 2.82Å; R466-T470 PolarHBondContact O-OG1 3.11Å; D467-T470 PolarHBondContact O-OG1 2.99Å; T470-S473 PolarHBondContact O-N 3.2Å; T470-K474 PolarHBondContact O-N 3.14Å
471	S	52.9	Low	55.2	Low	53 Å²	53	116.2 Å²	116.2	37%	0.371	62%	0.617	S	S	.	*	H	α-helix	trans	-65.3	-44.8	170.1	47	0	0	0	0	112.2	D467 S468 S473 K474 H475	D467-S471 WeakPolarHBondContact O-CB 3.3Å; D467-S471 PolarHBondContact O-N 3.19Å; D467-S471 VanDerWaalsContact O-N 3.16Å; D467-S471 PolarHBondContact O-OG 3.27Å; S468-S471 WeakPolarHBondContact CA-OG 3.22Å; S468-S471 PolarHBondContact O-OG 3.29Å; S468-S471 VanDerWaalsContact O-OG 3.05Å; S471-S473 VanDerWaalsContact C-N 3.33Å; S471-S473 PolarHBondContact O-N 3.03Å; S471-K474 PolarHBondContact O-N 3.08Å; S471-H475 PolarHBondContact O-CD2 2.69Å; S471-H475 PolarHBondContact O-N 3.19Å
472	Y	52.5	Low	53.4	Low	188 Å²	188	117.3 Å²	117.3	74%	0.737	63%	0.632	S	S	*	*	H	α-helix	trans	-58.5	-40.7	172.2	-101.8	-92.3	0	0	0	112.9	S468 V469 H475 K476	S468-Y472 WeakPolarHBondContact O-CD2 3.26Å; S468-Y472 PolarHBondContact O-N 3.42Å; V469-Y472 PolarHBondContact O-N 3.13Å; Y472-H475 PolarHBondContact O-N 3.02Å; Y472-K476 PolarHBondContact O-N 2.96Å
473	S	50.3	Low	51.5	Low	78 Å²	78	119.4 Å²	119.4	55%	0.545	65%	0.646	S	S	.	*	H	α-helix	trans	-63.8	-39.8	176.1	-59.7	0	0	0	0	112.8	V469 T470 S471 K476	V469-S473 PolarHBondContact O-N 3.41Å; V469-S473 PolarHBondContact O-OG 3.47Å; V469-S473 VanDerWaalsContact O-OG 3.06Å; T470-S473 PolarHBondContact O-N 3.2Å; S471-S473 VanDerWaalsContact C-N 3.33Å; S471-S473 PolarHBondContact O-N 3.03Å; S473-K476 PolarHBondContact O-N 3.1Å
474	K	50.3	Low	49.6	Very low	171 Å²	171	121.9 Å²	121.9	74%	0.743	66%	0.663	S	S	*	*	H	α-helix	trans	-63.8	-40.7	176.4	-80.5	-176.5	173.4	-178.4	0	112.6	T470 S471 K476 A477	T470-K474 PolarHBondContact O-N 3.14Å; S471-K474 PolarHBondContact O-N 3.08Å; K474-K476 VanDerWaalsContact C-N 3.31Å; K474-K476 PolarHBondContact O-N 3.06Å; K474-A477 PolarHBondContact O-N 2.99Å
475	H	50.5	Low	47.7	Very low	155 Å²	155	122 Å²	122	72%	0.718	67%	0.673	S	S	*	*	H	α-helix	trans	-64.8	-33	177.7	-81.7	-72.9	0	0	0	113.3	S471 Y472 A477 A478	S471-H475 PolarHBondContact O-CD2 2.69Å; S471-H475 PolarHBondContact O-N 3.19Å; Y472-H475 PolarHBondContact O-N 3.02Å; H475-A477 VanDerWaalsContact C-N 3.31Å; H475-A477 PolarHBondContact O-N 3.18Å; H475-A478 PolarHBondContact O-N 3.27Å
476	K	41.6	Very low	47.2	Very low	184 Å²	184	121 Å²	121	80%	0.8	68%	0.679	S	S	*	*	H	α-helix	trans	-74.3	-18.7	179.8	-159.6	174.3	-178.1	-177.4	0	113.9	Y472 S473 K474 A478	Y472-K476 PolarHBondContact O-N 2.96Å; S473-K476 PolarHBondContact O-N 3.1Å; K474-K476 VanDerWaalsContact C-N 3.31Å; K474-K476 PolarHBondContact O-N 3.06Å; K476-A478 VanDerWaalsContact C-N 3.31Å
477	A	38.8	Very low	45.3	Very low	89 Å²	89	122.9 Å²	122.9	74%	0.736	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-10.1	177	0	0	0	0	0	113.9	K474 H475	K474-A477 PolarHBondContact O-N 2.99Å; H475-A477 VanDerWaalsContact C-N 3.31Å; H475-A477 PolarHBondContact O-N 3.18Å
478	A	43.3	Very low	44.8	Very low	80 Å²	80	123.5 Å²	123.5	66%	0.661	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	0.8	-169.7	0	0	0	0	0	115.5	H475 K476	H475-A478 PolarHBondContact O-N 3.27Å; K476-A478 VanDerWaalsContact C-N 3.31Å
479	Q	42.3	Very low	43.4	Very low	172 Å²	172	127.8 Å²	127.8	80%	0.804	72%	0.717	S	S	*	*			trans	-139.3	96.4	-177.2	-69.2	-173	-8.8	0	0	112.2
480	S	35.4	Very low	41.8	Very low	116 Å²	116	132.1 Å²	132.1	81%	0.811	73%	0.732	S	S	*	*			trans	-160	117.9	170.1	-72.2	0	0	0	0	110.8
481	P	38.3	Very low	40.2	Very low	127 Å²	127	131.6 Å²	131.6	83%	0.825	74%	0.742	S	S	*	*			trans	-107	133.8	170.1	16.7	2.1	0	0	0	114.1
482	S	32.8	Very low	39.2	Very low	120 Å²	120	138.4 Å²	138.4	84%	0.839	77%	0.768	S	S	*	*			trans	-8.3	144.8	161.9	52.2	0	0	0	0	122.9
483	K	35.2	Very low	38.2	Very low	208 Å²	208	136.2 Å²	136.2	90%	0.904	77%	0.769	S	S	*	*			trans	-102.3	156.6	153.4	-73.3	-176.8	173	-174.3	0	111.5
484	S	31.4	Very low	37.2	Very low	104 Å²	104	142.6 Å²	142.6	73%	0.727	78%	0.781	S	S	*	*			trans	-174	119.7	145	50	0	0	0	0	109.6
485	S	31.5	Very low	36.3	Very low	115 Å²	115	138.5 Å²	138.5	80%	0.804	78%	0.779	S	S	*	*				96.9	160.4	80.4	-63.3	0	0	0	0	111.6
486	P	50.5	Low	35.3	Very low	124 Å²	124	136.9 Å²	136.9	81%	0.805	78%	0.78	S	S	*	*			cis	-130.8	-157.8	16.3	43.6	-24.8	0	0	0	116.5
487	E	27.5	Very low	34.8	Very low	181 Å²	181	136.3 Å²	136.3	85%	0.846	79%	0.785	S	S	*	*			trans	-111.2	-161.7	-160.7	-46.6	174.7	113.9	0	0	111.4
488	P	51.2	Low	34.5	Very low	106 Å²	106	137 Å²	137	69%	0.688	78%	0.784	S	S	*	*			cis	-130.9	-151.3	-3.5	38	-13.4	0	0	0	112.4
489	E	29.9	Very low	34.7	Very low	145 Å²	145	139.3 Å²	139.3	68%	0.678	79%	0.793	S	S	*	*			cis	-160.5	164	3.1	-148.2	-175.5	-75.6	0	0	111.3
490	Q	29.5	Very low	34.2	Very low	179 Å²	179	137.5 Å²	137.5	84%	0.836	79%	0.794	S	S	*	*			trans	60	155.1	167.7	-56.5	176.1	25	0	0	117.4
491	G	29.5	Very low	34.1	Very low	68 Å²	68	135.9 Å²	135.9	70%	0.701	79%	0.787	S	S	*	*			cis	-178.4	140.2	-9.9	0	0	0	0	0	112
492	E	31.6	Very low	33.7	Very low	196 Å²	196	136.3 Å²	136.3	92%	0.916	78%	0.783	S	S	*	*			trans	44.3	140	159.4	-55.9	-169.4	146.9	0	0	125.1
493	D	31.4	Very low	33.5	Very low	143 Å²	143	138.9 Å²	138.9	77%	0.765	78%	0.781	S	S	*	*			trans	78	128.4	141.2	-112.6	29.6	0	0	0	127
494	R	29.6	Very low	33.5	Very low	212 Å²	212	134.1 Å²	134.1	80%	0.8	77%	0.774	S	S	*	*				76.8	86.2	129.8	-158.4	169.8	-178.4	161.7	-1.4	124.1
495	A	31.1	Very low	34	Very low	84 Å²	84	135.5 Å²	135.5	69%	0.694	78%	0.781	S	S	*	*				59.4	149.9	117.5	0	0	0	0	0	125.1
496	T	29.8	Very low	34	Very low	122 Å²	122	135 Å²	135	75%	0.748	78%	0.777	S	S	*	*			trans	87.9	129.4	144.9	26.1	0	0	0	0	124.1
497	L	30.9	Very low	33	Very low	171 Å²	171	139.8 Å²	139.8	90%	0.895	78%	0.781	S	S	*	*			trans	85.2	145.9	147.4	-67	165.5	0	0	0	122.1
498	S	32.6	Very low	34	Very low	103 Å²	103	137.2 Å²	137.2	72%	0.72	78%	0.78	S	S	*	*			trans	-117.4	170.5	171.6	54.9	0	0	0	0	110
499	P	47.9	Very low	32.9	Very low	130 Å²	130	135.6 Å²	135.6	84%	0.844	78%	0.782	S	S	*	*				-151.5	-147.5	112.1	40	-20.7	0	0	0	115.2
500	T	31.7	Very low	33.1	Very low	134 Å²	134	135.4 Å²	135.4	82%	0.822	80%	0.797	S	S	*	*			trans	-122.4	159	-139.7	-17.9	0	0	0	0	117.2
501	A	32.4	Very low	32.9	Very low	82 Å²	82	130.8 Å²	130.8	68%	0.678	80%	0.797	S	S	*	*			trans	86	152.4	136.1	0	0	0	0	0	124.7
502	N	28.9	Very low	33	Very low	135 Å²	135	134 Å²	134	72%	0.722	81%	0.809	S	S	*	*			trans	100.3	103.8	147.3	-74.6	-24.9	0	0	0	124.6
503	Q	30	Very low	32.9	Very low	174 Å²	174	128.1 Å²	128.1	81%	0.813	80%	0.801	S	S	*	*				78.4	165	120.5	-67.2	-177.6	56.2	0	0	123.7
504	S	34	Very low	32.8	Very low	108 Å²	108	125.8 Å²	125.8	76%	0.755	80%	0.801	S	S	*	*			trans	-93.1	177.1	-158.5	-37.7	0	0	0	0	115.7
505	P	43.3	Very low	32.9	Very low	134 Å²	134	121.3 Å²	121.3	87%	0.87	80%	0.803	S	S	*	*				-150.3	-166.1	102.1	40.3	-22.3	0	0	0	115.6
506	S	29.7	Very low	32.7	Very low	103 Å²	103	123.4 Å²	123.4	72%	0.72	81%	0.812	S	S	*	*			trans	-139.7	154.1	-166.8	-49.5	0	0	0	0	115.5
507	Y	31.1	Very low	32.6	Very low	225 Å²	225	129.1 Å²	129.1	88%	0.882	82%	0.82	S	S	*	*			trans	63.1	149.4	160	-79.4	-66	0	0	0	119.5
508	P	47.7	Very low	32.5	Very low	128 Å²	128	128.2 Å²	128.2	83%	0.831	82%	0.822	S	S	*	*				-138.3	-165.9	85	40.1	-24.7	0	0	0	114
509	G	28.1	Very low	32.4	Very low	71 Å²	71	129 Å²	129	73%	0.732	83%	0.827	S	S	*	*			trans	-176.5	-165.8	176.3	0	0	0	0	0	116.9
510	S	33.9	Very low	31.5	Very low	142 Å²	142	128.3 Å²	128.3	99%	0.993	83%	0.825	S	S	*	*			trans	78.7	129.8	173.9	-71.4	0	0	0	0	120.9
511	G	26.5	Very low	31.3	Very low	81 Å²	81	130.3 Å²	130.3	84%	0.835	83%	0.83	S	S	*	*			trans	178	145.2	170.6	0	0	0	0	0	109.4
512	S	31.2	Very low	31.3	Very low	137 Å²	137	136 Å²	136	96%	0.958	83%	0.834	S	S	*	*			trans	-139.6	151.6	-164.7	-172.2	0	0	0	0	114.4
513	G	28.2	Very low	31.7	Very low	71 Å²	71	135.2 Å²	135.2	73%	0.732	84%	0.836	S	S	*	*			trans	176.7	59	-177.6	0	0	0	0	0	120.6
514	A	30.2	Very low	31.5	Very low	94 Å²	94	133.3 Å²	133.3	78%	0.777	83%	0.827	S	S	*	*			trans	60	122.8	148.6	0	0	0	0	0	124.5
515	S	31.2	Very low	31.4	Very low	119 Å²	119	133.1 Å²	133.1	83%	0.832	83%	0.826	S	S	*	*			trans	71.3	108.2	131.2	-63.3	0	0	0	0	123.8
516	S	27.9	Very low	30.8	Very low	128 Å²	128	136.2 Å²	136.2	90%	0.895	83%	0.826	S	S	*	*				-160.7	-179.5	101.6	55.7	0	0	0	0	111.3
517	R	27.9	Very low	30.8	Very low	242 Å²	242	138.9 Å²	138.9	91%	0.913	83%	0.832	S	S	*	*			trans	-119	142.5	-155.7	-58.7	169.4	175.7	160.6	-4.7	114.9
518	T	28.2	Very low	30.7	Very low	152 Å²	152	138.6 Å²	138.6	93%	0.933	83%	0.83	S	S	*	*				-155	148.6	126.9	34.9	0	0	0	0	109.6
519	S	29.8	Very low	29.8	Very low	120 Å²	120	143 Å²	143	84%	0.839	83%	0.831	S	S	*	*			trans	-104.8	147.7	-164.7	51.2	0	0	0	0	115.3
520	S	29.8	Very low	29.7	Very low	114 Å²	114	148.4 Å²	148.4	80%	0.797	84%	0.842	S	S	*	*			trans	-90.4	159.7	174.1	51.3	0	0	0	0	113.3
521	L	28.2	Very low	29.3	Very low	176 Å²	176	145.8 Å²	145.8	92%	0.921	82%	0.823	S	S	*	*			trans	-143.1	141.3	163.7	-77.9	179	0	0	0	111.1
522	R	32.3	Very low	29.4	Very low	201 Å²	201	150.4 Å²	150.4	76%	0.758	82%	0.823	S	S	*	*			trans	-82.5	179	157.3	-67.6	-178.4	175.7	177.9	-1.4	109.3	E524	R522-E524 IonicContact NH1-OE1 2.78Å
523	P	35.6	Very low	29.2	Very low	119 Å²	119	155.6 Å²	155.6	77%	0.773	82%	0.822	S	S	*	*				-137.5	171.9	101.5	38.9	-29.2	0	0	0	114.3
524	E	26.9	Very low	29.2	Very low	134 Å²	134	159.2 Å²	159.2	63%	0.626	82%	0.824	S	S	*	*			trans	-98.4	175.6	167.4	-66.6	-175.1	175.2	0	0	111.6	R522	R522-E524 IonicContact NH1-OE1 2.78Å
525	S	31.3	Very low	29.1	Very low	105 Å²	105	162.9 Å²	162.9	73%	0.734	83%	0.825	S	S	*	*			trans	45.6	113	145.4	55.6	0	0	0	0	119.9
526	F	30.3	Very low	29	Very low	199 Å²	199	166.4 Å²	166.4	87%	0.873	83%	0.826	S	S	*	*			trans	-127	112.7	159.9	-86	-85.5	0	0	0	111.3
527	L	30.7	Very low	29	Very low	158 Å²	158	172 Å²	172	83%	0.827	83%	0.827	S	S	*	*			trans	-106.6	142.9	156.7	-80.3	171.7	0	0	0	108.7
528	Y	28.4	Very low	29	Very low	219 Å²	219	170 Å²	170	86%	0.859	83%	0.825	S	S	*	*			trans	27.7	118	158	-85	-95.2	0	0	0	119.4
529	R	28.2	Very low	29.1	Very low	221 Å²	221	165.6 Å²	165.6	83%	0.834	81%	0.81	S	S	*	*				162	116.5	110.3	-177.5	-175.7	-49.1	162.9	8.1	111.6
530	L	26.4	Very low	29	Very low	185 Å²	185	167.1 Å²	167.1	97%	0.969	81%	0.809	S	S	*	*			trans	-133.8	113.2	160.3	-91.3	174.2	0	0	0	109.7
531	S	27.1	Very low	28.9	Very low	86 Å²	86	166.1 Å²	166.1	60%	0.601	81%	0.808	S	S	*	*			trans	-152.3	124.4	171	57.7	0	0	0	0	108.5
532	Q	27.7	Very low	29	Very low	178 Å²	178	165 Å²	165	83%	0.832	81%	0.808	S	S	*	*			trans	63.8	118.6	165.9	-56.3	172.8	23.3	0	0	116.5
533	R	27.1	Very low	28.9	Very low	247 Å²	247	160.1 Å²	160.1	93%	0.932	81%	0.811	S	S	*	*			trans	-105.9	104.8	156.8	-90.1	-176	170.3	159.4	-3	107.7
534	D	27.5	Very low	28.6	Very low	146 Å²	146	158.9 Å²	158.9	78%	0.781	81%	0.81	S	S	*	*			trans	-86.9	122.7	157.3	-90.6	-55	0	0	0	108.5
535	E	28.8	Very low	29.1	Very low	171 Å²	171	158.4 Å²	158.4	80%	0.799	82%	0.819	S	S	*	*			trans	-102.3	132.2	169.2	-96.3	-63.3	158.1	0	0	109.7
536	K	28.2	Very low	29.2	Very low	194 Å²	194	159.4 Å²	159.4	84%	0.843	82%	0.823	S	S	*	*			trans	-137.5	100.3	-163.9	-172.3	176.3	-176	173.4	0	111.7
537	R	29.1	Very low	29.1	Very low	244 Å²	244	158.5 Å²	158.5	92%	0.921	82%	0.821	S	S	*	*			trans	-130.5	151.8	166.8	-72.5	-167.4	174.3	-156.6	-2.2	112.1
538	K	28.7	Very low	29.3	Very low	200 Å²	200	157.4 Å²	157.4	87%	0.87	82%	0.823	S	S	*	*			trans	-139.8	139.9	-174.9	178.3	-171.4	177.9	-169.5	0	106.4
539	G	29	Very low	29.4	Very low	61 Å²	61	156.6 Å²	156.6	63%	0.629	82%	0.824	S	S	*	*			cis	-174.1	-144.3	-1.1	0	0	0	0	0	111.2
540	D	27.6	Very low	29.5	Very low	151 Å²	151	155.5 Å²	155.5	81%	0.807	83%	0.829	S	S	*	*			trans	69	96.2	161.5	-50.8	-21.4	0	0	0	119
541	A	28.2	Very low	29.5	Very low	93 Å²	93	155.7 Å²	155.7	77%	0.769	83%	0.825	S	S	*	*				145.1	145.8	96.1	0	0	0	0	0	116
542	V	31	Very low	29.7	Very low	153 Å²	153	156 Å²	156	93%	0.927	83%	0.832	S	S	*	*			trans	68.2	146.2	168.6	-165.6	0	0	0	0	116.6
543	A	29.1	Very low	30	Very low	99 Å²	99	153.6 Å²	153.6	82%	0.818	83%	0.832	S	S	*	*			trans	-129.4	151.9	-168.8	0	0	0	0	0	113.8
544	A	29.6	Very low	30.4	Very low	93 Å²	93	146.2 Å²	146.2	77%	0.769	82%	0.824	S	S	*	*			trans	-147.9	153.8	168.1	0	0	0	0	0	109.1
545	P	37.8	Very low	31.1	Very low	123 Å²	123	143.5 Å²	143.5	80%	0.799	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-76	157.4	-169.4	30.3	-35.9	0	0	0	114.1
546	P	33.8	Very low	31.6	Very low	126 Å²	126	140.9 Å²	140.9	82%	0.818	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-82.7	145.9	-170.8	32.9	-35.9	0	0	0	114.1
547	Q	27.9	Very low	32.4	Very low	181 Å²	181	137.4 Å²	137.4	85%	0.846	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-98.1	145.4	151.5	-71.1	-174.3	-19.7	0	0	109
548	P	34.3	Very low	33.5	Very low	134 Å²	134	131.4 Å²	131.4	87%	0.87	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-68.5	142.2	177.8	29.5	-34.5	0	0	0	110.9
549	K	29.7	Very low	34.6	Very low	202 Å²	202	126.8 Å²	126.8	88%	0.878	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-99.4	144	166.1	-71.9	-174.8	175.5	-177.5	0	109.2
550	E	31	Very low	36.1	Very low	198 Å²	198	126.6 Å²	126.6	93%	0.925	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-66.5	133	176.1	-65.4	162.7	105.2	0	0	111.1
551	E	27.8	Very low	37.7	Very low	189 Å²	189	127 Å²	127	88%	0.883	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-85.5	138.3	160.8	-74.9	-174.4	117.3	0	0	109.7
552	A	30.9	Very low	39.8	Very low	92 Å²	92	125.4 Å²	125.4	76%	0.76	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-66.2	147.1	164.7	0	0	0	0	0	109.5	A554	A552-A554 PolarHBondContact O-N 3.24Å
553	P	33.1	Very low	42	Very low	129 Å²	129	120.2 Å²	120.2	84%	0.838	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-69.1	129.8	-153.1	24.6	-35.1	0	0	0	114
554	A	35.8	Very low	44.5	Very low	91 Å²	91	118.4 Å²	118.4	75%	0.752	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-58.3	155.4	157	0	0	0	0	0	110.4	A552	A552-A554 PolarHBondContact O-N 3.24Å
555	A	41.5	Very low	47.1	Very low	90 Å²	90	118 Å²	118	74%	0.744	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-56.8	143.1	171.3	0	0	0	0	0	110.2
556	P	40.6	Very low	49.2	Very low	116 Å²	116	113.2 Å²	113.2	75%	0.753	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-58.8	135.9	-178.8	24.9	-34.1	0	0	0	109.9	L558	P556-L558 PolarHBondContact O-N 2.98Å
557	P	44.6	Very low	51.7	Low	121 Å²	121	110.2 Å²	110.2	79%	0.786	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-60.2	136.6	177.9	25.8	-33.8	0	0	0	109.6	V559	P557-V559 PolarHBondContact O-N 3.35Å
558	L	51.3	Low	54.4	Low	117 Å²	117	106.2 Å²	106.2	61%	0.613	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-54	127.1	176.2	-70.2	171.9	0	0	0	109.4	P556	P556-L558 PolarHBondContact O-N 2.98Å
559	V	52.7	Low	56.9	Low	103 Å²	103	99.9 Å²	99.9	62%	0.624	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-60.2	142.3	177.5	-176.7	0	0	0	0	108.2	P557 E561 D562 A563	P557-V559 PolarHBondContact O-N 3.35Å; V559-E561 PolarHBondContact O-N 2.92Å; V559-D562 PolarHBondContact O-N 3.34Å; V559-A563 PolarHBondContact O-N 3.02Å
560	G	59.3	Low	59.7	Low	57 Å²	57	92.3 Å²	92.3	59%	0.588	56%	0.557	S	S	*	*	H	α-helix	trans	-55.5	-25.2	-165.5	0	0	0	0	0	115.6	A564	G560-A564 WeakPolarHBondContact O-CB 3.41Å; G560-A564 PolarHBondContact O-N 2.83Å; G560-A564 VanDerWaalsContact O-N 3.1Å
561	E	62.6	Low	62.3	Low	160 Å²	160	87.7 Å²	87.7	75%	0.748	53%	0.534	S	S	*	.	H	α-helix	trans	-69.6	-44.8	174.9	-58.2	-172.4	153.4	0	0	112.3	V559 A564 L565	V559-E561 PolarHBondContact O-N 2.92Å; E561-A564 PolarHBondContact O-N 2.81Å; E561-L565 WeakPolarHBondContact O-CG 3.43Å; E561-L565 PolarHBondContact O-N 3.42Å
562	D	72	Confident	65.1	Low	59 Å²	59	80.6 Å²	80.6	32%	0.316	50%	0.502	S	S	.	.	H	α-helix	trans	-63.9	-42.1	175.1	-76	-43	0	0	0	111.2	V559 A564 L565 V566 P659	V559-D562 PolarHBondContact O-N 3.34Å; D562-A564 VanDerWaalsContact C-N 3.29Å; D562-A564 PolarHBondContact O-N 3.42Å; D562-L565 PolarHBondContact O-N 3.43Å; D562-L565 VanDerWaalsContact O-N 3.16Å; D562-V566 VanDerWaalsContact O-CG2 3.31Å; D562-V566 WeakPolarHBondContact O-CG2 3.17Å; D562-V566 PolarHBondContact O-N 3.07Å; D562-P659 HydrophobicContact CB-CG 4.1Å; D562-P659 VanDerWaalsContact OD1-CG 3.23Å; D562-P659 WeakPolarHBondContact OD1-CG 3.24Å
563	A	76.4	Confident	67.8	Low	45 Å²	45	76.2 Å²	76.2	37%	0.372	47%	0.466	S	S	.	.	H	α-helix	trans	-60.1	-39.8	176.1	0	0	0	0	0	111.9	V559 V566 E567	V559-A563 PolarHBondContact O-N 3.02Å; A563-V566 PolarHBondContact O-N 2.91Å; A563-E567 WeakPolarHBondContact O-CB 3.2Å; A563-E567 PolarHBondContact O-N 3.25Å
564	A	82.1	Confident	70.5	Confident	61 Å²	61	72.2 Å²	72.2	50%	0.504	44%	0.436	S	S	.	.	H	α-helix	trans	-66.6	-39.3	174.5	0	0	0	0	0	112.6	G560 E561 D562 E567 Q568	G560-A564 WeakPolarHBondContact O-CB 3.41Å; G560-A564 PolarHBondContact O-N 2.83Å; G560-A564 VanDerWaalsContact O-N 3.1Å; E561-A564 PolarHBondContact O-N 2.81Å; D562-A564 VanDerWaalsContact C-N 3.29Å; D562-A564 PolarHBondContact O-N 3.42Å; A564-E567 PolarHBondContact O-N 2.93Å; A564-Q568 WeakPolarHBondContact O-CB 3.27Å; A564-Q568 PolarHBondContact O-N 3.2Å
565	L	83.1	Confident	72.9	Confident	84 Å²	84	71 Å²	71	44%	0.44	43%	0.425	S	S	.	.	H	α-helix	trans	-65.1	-40	175.3	-70.5	173.4	0	0	0	112.6	E561 D562 Q568 L569 P659	E561-L565 WeakPolarHBondContact O-CG 3.43Å; E561-L565 PolarHBondContact O-N 3.42Å; D562-L565 PolarHBondContact O-N 3.43Å; D562-L565 VanDerWaalsContact O-N 3.16Å; L565-Q568 PolarHBondContact O-N 2.94Å; L565-L569 WeakPolarHBondContact O-CB 3.44Å; L565-L569 PolarHBondContact O-N 3.06Å; L565-P659 HydrophobicContact CD1-CB 4.31Å
566	V	83.1	Confident	74.8	Confident	22 Å²	22	70.5 Å²	70.5	13%	0.133	40%	0.404	C	S	.	.	H	α-helix	trans	-65.8	-42.7	176.4	172.5	0	0	0	0	111.4	D562 A563 L569 R570 L585 L658	D562-V566 VanDerWaalsContact O-CG2 3.31Å; D562-V566 WeakPolarHBondContact O-CG2 3.17Å; D562-V566 PolarHBondContact O-N 3.07Å; A563-V566 PolarHBondContact O-N 2.91Å; V566-L569 WeakPolarHBondContact O-CB 3.34Å; V566-L569 PolarHBondContact O-N 2.94Å; V566-R570 PolarHBondContact O-N 3.18Å; V566-L585 HydrophobicContact CG1-CD2 3.96Å; V566-L585 WeakPolarHBondContact O-CD2 3.33Å; V566-L658 HydrophobicContact CG1-CD1 4.14Å; V566-L658 HydrophobicContact CG2-CB 3.73Å; V566-L658 HydrophobicContact CG2-CD1 4.37Å
567	E	85.5	Confident	76.9	Confident	64 Å²	64	65.1 Å²	65.1	30%	0.299	37%	0.369	S	S	.	.	H	α-helix	trans	-71.1	-32.9	177.1	177.6	54.2	-160.4	0	0	112.4	A563 A564 R570 K571	A563-E567 WeakPolarHBondContact O-CB 3.2Å; A563-E567 PolarHBondContact O-N 3.25Å; A564-E567 PolarHBondContact O-N 2.93Å; E567-R570 PolarHBondContact O-N 3.33Å; E567-R570 IonicContact OE2-CZ 3.17Å; E567-R570 IonicContact OE2-NH1 2.8Å; E567-R570 PolarHBondContact OE2-NH1 2.98Å; E567-K571 PolarHBondContact O-N 3.07Å; E567-K571 VanDerWaalsContact O-N 3.15Å; E567-K571 WeakPolarHBondContact OE1-CE 3.42Å; E567-K571 IonicContact OE1-NZ 2.76Å; E567-K571 PolarHBondContact OE1-NZ 3.22Å
568	Q	86.2	Confident	78.8	Confident	97 Å²	97	66.6 Å²	66.6	45%	0.453	36%	0.363	S	S	.	.	H	α-helix	trans	-68.1	-34.7	170.2	-172	60.5	38.5	0	0	111.8	A564 L565 K571 N572	A564-Q568 WeakPolarHBondContact O-CB 3.27Å; A564-Q568 PolarHBondContact O-N 3.2Å; L565-Q568 PolarHBondContact O-N 2.94Å; Q568-K571 PolarHBondContact O-N 2.86Å; Q568-N572 PolarHBondContact NE2-OD1 3.35Å; Q568-N572 VanDerWaalsContact O-CB 3.24Å; Q568-N572 WeakPolarHBondContact O-CB 3.29Å; Q568-N572 PolarHBondContact O-N 3.46Å; Q568-N572 PolarHBondContact O-ND2 3.43Å
569	L	86.6	Confident	80.4	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-62.1	-47.5	172.8	173.6	57.7	0	0	0	111.5	L565 V566 K571 N572 I573 L585 L589 L658 V661 A662 V665	L565-L569 WeakPolarHBondContact O-CB 3.44Å; L565-L569 PolarHBondContact O-N 3.06Å; V566-L569 WeakPolarHBondContact O-CB 3.34Å; V566-L569 PolarHBondContact O-N 2.94Å; L569-K571 PolarHBondContact O-N 3.06Å; L569-N572 PolarHBondContact O-N 3.16Å; L569-I573 HydrophobicContact CD1-CD1 3.68Å; L569-I573 HydrophobicContact CD1-CG1 4.03Å; L569-I573 HydrophobicContact CG-CD1 4.13Å; L569-I573 WeakPolarHBondContact O-CG1 3.25Å; L569-I573 PolarHBondContact O-N 3.44Å; L569-I573 VanDerWaalsContact O-N 3.12Å; L569-L585 HydrophobicContact CB-CD2 4.24Å; L569-L585 HydrophobicContact CD2-CD2 4.04Å; L569-L585 HydrophobicContact CG-CD2 3.98Å; L569-L589 HydrophobicContact CD2-CD1 4.1Å; L569-L658 HydrophobicContact CD2-CD2 4.47Å; L569-V661 HydrophobicContact CD2-CB 4.17Å; L569-V661 HydrophobicContact CD2-CG1 3.97Å; L569-A662 HydrophobicContact CB-CB 3.88Å; L569-A662 HydrophobicContact CD2-CB 4.17Å; L569-A662 HydrophobicContact CG-CB 4.43Å; L569-V665 HydrophobicContact CD1-CB 3.65Å; L569-V665 HydrophobicContact CD1-CG1 3.7Å; L569-V665 HydrophobicContact CD1-CG2 3.81Å
570	R	87.7	Confident	81.9	Confident	43 Å²	43	59.6 Å²	59.6	16%	0.162	33%	0.331	C	S	.	.	H	α-helix	trans	-50.1	-60.8	172	170.9	-178.8	-76.3	120.9	-1.3	110.2	V566 E567 N572 I573 E574 P582 S583 L585	V566-R570 PolarHBondContact O-N 3.18Å; E567-R570 PolarHBondContact O-N 3.33Å; E567-R570 IonicContact OE2-CZ 3.17Å; E567-R570 IonicContact OE2-NH1 2.8Å; E567-R570 PolarHBondContact OE2-NH1 2.98Å; R570-N572 VanDerWaalsContact C-N 3.29Å; R570-N572 PolarHBondContact O-N 2.83Å; R570-I573 PolarHBondContact O-N 3.08Å; R570-E574 VanDerWaalsContact CG-CD 3.41Å; R570-E574 HydrophobicContact CG-CG 4.12Å; R570-E574 WeakPolarHBondContact CG-OE1 3.31Å; R570-E574 WeakPolarHBondContact CG-OE2 3.43Å; R570-E574 WeakPolarHBondContact O-CG 3.33Å; R570-E574 PolarHBondContact O-N 3.14Å; R570-P582 PolarHBondContact NH2-O 3.18Å; R570-S583 PolarHBondContact NH2-O 3.33Å; R570-L585 HydrophobicContact CB-CD1 4.41Å; R570-L585 HydrophobicContact CB-CD2 4.12Å
571	K	86.5	Confident	83.2	Confident	100 Å²	100	57.6 Å²	57.6	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-55.8	-40.2	-178.1	-75.5	167.2	167.9	129.2	0	113.3	E567 Q568 L569 A575	E567-K571 PolarHBondContact O-N 3.07Å; E567-K571 VanDerWaalsContact O-N 3.15Å; E567-K571 WeakPolarHBondContact OE1-CE 3.42Å; E567-K571 IonicContact OE1-NZ 2.76Å; E567-K571 PolarHBondContact OE1-NZ 3.22Å; Q568-K571 PolarHBondContact O-N 2.86Å; L569-K571 PolarHBondContact O-N 3.06Å; K571-A575 WeakPolarHBondContact O-CB 3.43Å; K571-A575 PolarHBondContact O-N 2.96Å
572	N	85.9	Confident	84.2	Confident	40 Å²	40	50.8 Å²	50.8	21%	0.214	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-38.5	178	-80.9	-10.1	0	0	0	113	Q568 L569 R570 R576 L669	Q568-N572 PolarHBondContact NE2-OD1 3.35Å; Q568-N572 VanDerWaalsContact O-CB 3.24Å; Q568-N572 WeakPolarHBondContact O-CB 3.29Å; Q568-N572 PolarHBondContact O-N 3.46Å; Q568-N572 PolarHBondContact O-ND2 3.43Å; L569-N572 PolarHBondContact O-N 3.16Å; R570-N572 VanDerWaalsContact C-N 3.29Å; R570-N572 PolarHBondContact O-N 2.83Å; N572-R576 WeakPolarHBondContact O-CB 3.45Å; N572-R576 VanDerWaalsContact O-CG 3.26Å; N572-R576 WeakPolarHBondContact O-CG 3.26Å; N572-L669 HydrophobicContact CB-CD1 3.83Å
573	I	87.2	Confident	84.4	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-74.4	-50.2	177.6	-61.5	172.7	0	0	0	110	L569 R570 A575 R576 L577 L581 L589 V594 L595 L598 V665	L569-I573 HydrophobicContact CD1-CD1 3.68Å; L569-I573 HydrophobicContact CD1-CG1 4.03Å; L569-I573 HydrophobicContact CG-CD1 4.13Å; L569-I573 WeakPolarHBondContact O-CG1 3.25Å; L569-I573 PolarHBondContact O-N 3.44Å; L569-I573 VanDerWaalsContact O-N 3.12Å; R570-I573 PolarHBondContact O-N 3.08Å; I573-A575 PolarHBondContact O-N 2.88Å; I573-R576 PolarHBondContact O-N 3.06Å; I573-R576 VanDerWaalsContact O-N 3.12Å; I573-L577 HydrophobicContact CG2-CD1 3.73Å; I573-L577 HydrophobicContact CG2-CG 4.27Å; I573-L577 PolarHBondContact O-N 3.34Å; I573-L581 HydrophobicContact CB-CD1 4.03Å; I573-L581 HydrophobicContact CD1-CD1 4.38Å; I573-L581 HydrophobicContact CG2-CD1 3.85Å; I573-L589 HydrophobicContact CD1-CD1 4.18Å; I573-L589 HydrophobicContact CD1-CD2 3.93Å; I573-V594 HydrophobicContact CG2-CG1 3.73Å; I573-L595 HydrophobicContact CD1-CD2 4.32Å; I573-L598 HydrophobicContact CG1-CD2 4.01Å; I573-L598 HydrophobicContact CG2-CD1 4.43Å; I573-V665 HydrophobicContact CG1-CG1 4.3Å
574	E	89.4	Confident	84.8	Confident	46 Å²	46	53.6 Å²	53.6	22%	0.215	29%	0.293	C	S	.	.	H	α-helix	trans	-58.3	-47.1	-178.7	-65.5	-178.6	152.1	0	0	111.7	R570 R576 L577 K578 V579 L581	R570-E574 VanDerWaalsContact CG-CD 3.41Å; R570-E574 HydrophobicContact CG-CG 4.12Å; R570-E574 WeakPolarHBondContact CG-OE1 3.31Å; R570-E574 WeakPolarHBondContact CG-OE2 3.43Å; R570-E574 WeakPolarHBondContact O-CG 3.33Å; R570-E574 PolarHBondContact O-N 3.14Å; E574-R576 PolarHBondContact O-N 2.85Å; E574-R576 VanDerWaalsContact O-N 3.12Å; E574-L577 PolarHBondContact O-N 3.17Å; E574-K578 WeakPolarHBondContact O-CA 3.33Å; E574-K578 PolarHBondContact O-N 3.23Å; E574-V579 VanDerWaalsContact CA-O 3.32Å; E574-V579 WeakPolarHBondContact CA-O 3.42Å; E574-V579 VanDerWaalsContact CB-O 3.26Å; E574-V579 WeakPolarHBondContact CB-O 3.31Å; E574-V579 VanDerWaalsContact CG-O 3.26Å; E574-V579 WeakPolarHBondContact CG-O 3.46Å; E574-L581 HydrophobicContact CG-CB 4.43Å; E574-L581 HydrophobicContact CG-CD1 4.2Å; E574-L581 HydrophobicContact CG-CG 4Å; E574-L581 PolarHBondContact OE1-N 3.13Å
575	A	85.8	Confident	84.8	Confident	64 Å²	64	51 Å²	51	53%	0.529	27%	0.27	S	S	.	.	H	α-helix	trans	-72.9	-1.1	179.8	0	0	0	0	0	115.1	K571 I573 K675	K571-A575 WeakPolarHBondContact O-CB 3.43Å; K571-A575 PolarHBondContact O-N 2.96Å; I573-A575 PolarHBondContact O-N 2.88Å; A575-K675 PolarHBondContact O-NZ 2.77Å
576	R	82.1	Confident	84.9	Confident	80 Å²	80	47 Å²	47	30%	0.302	25%	0.25	S	S	.	.	H	α-helix	trans	-112.6	-35	174.9	-74.6	-76.2	-169.4	165.9	8.8	112.8	N572 I573 E574 L598 L669	N572-R576 WeakPolarHBondContact O-CB 3.45Å; N572-R576 VanDerWaalsContact O-CG 3.26Å; N572-R576 WeakPolarHBondContact O-CG 3.26Å; I573-R576 PolarHBondContact O-N 3.06Å; I573-R576 VanDerWaalsContact O-N 3.12Å; E574-R576 PolarHBondContact O-N 2.85Å; E574-R576 VanDerWaalsContact O-N 3.12Å; R576-L598 HydrophobicContact CB-CD1 3.83Å; R576-L669 HydrophobicContact CB-CD2 4.44Å; R576-L669 HydrophobicContact CG-CD1 4.06Å; R576-L669 HydrophobicContact CG-CD2 3.71Å; R576-L669 PolarHBondContact NH2-O 2.98Å
577	L	85.6	Confident	84.9	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-90.7	-16.9	176	-66.9	-176.1	0	0	0	113.9	L380 F384 I573 E574 V579 V594 L598 H601	L380-L577 WeakPolarHBondContact CD1-O 3.22Å; F384-L577 HydrophobicContact CZ-CD1 4.1Å; I573-L577 HydrophobicContact CG2-CD1 3.73Å; I573-L577 HydrophobicContact CG2-CG 4.27Å; I573-L577 PolarHBondContact O-N 3.34Å; E574-L577 PolarHBondContact O-N 3.17Å; L577-V579 VanDerWaalsContact C-N 3.28Å; L577-V579 HydrophobicContact CB-CG2 3.91Å; L577-V579 HydrophobicContact CD1-CG2 4.48Å; L577-V579 PolarHBondContact O-N 3.35Å; L577-V594 HydrophobicContact CD1-CG1 3.97Å; L577-L598 HydrophobicContact CD2-CD1 4.32Å; L577-L598 HydrophobicContact CG-CD1 4.06Å; L577-H601 HydrophobicContact CD2-CB 4.09Å
578	K	84.7	Confident	84.8	Confident	152 Å²	152	44.2 Å²	44.2	66%	0.661	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	32.7	-171.9	-49.3	176.6	-178.2	174.3	0	113.7	S378 E574	S378-K578 PolarHBondContact OG-NZ 2.82Å; E574-K578 WeakPolarHBondContact O-CA 3.33Å; E574-K578 PolarHBondContact O-N 3.23Å
579	V	84.5	Confident	84.9	Confident	17 Å²	17	39.7 Å²	39.7	10%	0.103	22%	0.219	C	C	.	.			trans	-123.3	155.2	173.4	-57.3	0	0	0	0	109.6	L380 F384 M385 I388 E574 L577 L581	L380-V579 HydrophobicContact CD1-CG1 3.81Å; F384-V579 HydrophobicContact CE1-CG1 4.16Å; F384-V579 HydrophobicContact CE1-CG2 4.43Å; M385-V579 HydrophobicContact CE-CG1 4.03Å; M385-V579 HydrophobicContact SD-CG1 3.77Å; I388-V579 HydrophobicContact CG2-CB 4.31Å; E574-V579 VanDerWaalsContact CA-O 3.32Å; E574-V579 WeakPolarHBondContact CA-O 3.42Å; E574-V579 VanDerWaalsContact CB-O 3.26Å; E574-V579 WeakPolarHBondContact CB-O 3.31Å; E574-V579 VanDerWaalsContact CG-O 3.26Å; E574-V579 WeakPolarHBondContact CG-O 3.46Å; L577-V579 VanDerWaalsContact C-N 3.28Å; L577-V579 HydrophobicContact CB-CG2 3.91Å; L577-V579 HydrophobicContact CD1-CG2 4.48Å; L577-V579 PolarHBondContact O-N 3.35Å; V579-L581 HydrophobicContact CG2-CD2 4.47Å
580	A	84.5	Confident	85	Confident	56 Å²	56	40.3 Å²	40.3	46%	0.463	22%	0.223	S	C	.	.			trans	-87.5	151	167.2	0	0	0	0	0	110.4	I388 I392	I388-A580 WeakPolarHBondContact CG2-O 3.44Å; I392-A580 HydrophobicContact CD1-CB 4.36Å
581	L	84.9	Confident	85	Confident	15 Å²	15	38.5 Å²	38.5	8%	0.079	22%	0.216	C	C	.	.			trans	-113.3	153.2	176	-64.2	176.6	0	0	0	111.6	I388 I573 E574 V579 L585 V594	I388-L581 HydrophobicContact CD1-CD2 4.37Å; I573-L581 HydrophobicContact CB-CD1 4.03Å; I573-L581 HydrophobicContact CD1-CD1 4.38Å; I573-L581 HydrophobicContact CG2-CD1 3.85Å; E574-L581 HydrophobicContact CG-CB 4.43Å; E574-L581 HydrophobicContact CG-CD1 4.2Å; E574-L581 HydrophobicContact CG-CG 4Å; E574-L581 PolarHBondContact OE1-N 3.13Å; V579-L581 HydrophobicContact CG2-CD2 4.47Å; L581-L585 HydrophobicContact CB-CD1 4.4Å; L581-L585 HydrophobicContact CD1-CD1 3.67Å; L581-V594 HydrophobicContact CD2-CG1 4.06Å; L581-V594 HydrophobicContact CD2-CG2 4.42Å
582	P	83.5	Confident	85.1	Confident	17 Å²	17	33.8 Å²	33.8	11%	0.11	20%	0.196	C	C	.	.			trans	-57.3	165.5	176.6	-26.7	35.5	0	0	0	115.2	R391 R570 D584 A588	R391-P582 HydrophobicContact CB-CG 3.99Å; R570-P582 PolarHBondContact NH2-O 3.18Å; P582-D584 VanDerWaalsContact C-N 3.3Å; P582-D584 PolarHBondContact O-N 2.93Å; P582-A588 HydrophobicContact CG-CB 4.11Å
583	S	77.9	Confident	85.4	Confident	91 Å²	91	31.9 Å²	31.9	64%	0.636	19%	0.185	S	C	*	.	S	Bend	trans	-54.6	-44.8	173.7	-11.7	0	0	0	0	111.9	E395 R570	E395-S583 VanDerWaalsContact OE2-CB 3.31Å; E395-S583 WeakPolarHBondContact OE2-CB 3.43Å; E395-S583 PolarHBondContact OE2-OG 2.9Å; R570-S583 PolarHBondContact NH2-O 3.33Å
584	D	83.6	Confident	85.6	Confident	73 Å²	73	31.9 Å²	31.9	39%	0.39	19%	0.186	S	C	.	.			trans	-85.6	106.1	170	-173.4	-12.7	0	0	0	110.8	P582 G586 A587 A588	P582-D584 VanDerWaalsContact C-N 3.3Å; P582-D584 PolarHBondContact O-N 2.93Å; D584-G586 WeakPolarHBondContact OD1-CA 3.34Å; D584-G586 PolarHBondContact OD1-N 3.36Å; D584-A587 HydrophobicContact CB-CB 4.22Å; D584-A587 PolarHBondContact OD1-N 2.86Å; D584-A587 VanDerWaalsContact OD2-CB 3.24Å; D584-A587 WeakPolarHBondContact OD2-CB 3.41Å; D584-A588 WeakPolarHBondContact O-CB 3.14Å; D584-A588 PolarHBondContact O-N 3.39Å
585	L	83.5	Confident	85.7	Confident	5 Å²	5	29.7 Å²	29.7	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-77.7	-23.8	175.3	-169.6	65	0	0	0	112.4	V566 L569 R570 L581 L589	V566-L585 HydrophobicContact CG1-CD2 3.96Å; V566-L585 WeakPolarHBondContact O-CD2 3.33Å; L569-L585 HydrophobicContact CB-CD2 4.24Å; L569-L585 HydrophobicContact CD2-CD2 4.04Å; L569-L585 HydrophobicContact CG-CD2 3.98Å; R570-L585 HydrophobicContact CB-CD1 4.41Å; R570-L585 HydrophobicContact CB-CD2 4.12Å; L581-L585 HydrophobicContact CB-CD1 4.4Å; L581-L585 HydrophobicContact CD1-CD1 3.67Å; L585-L589 HydrophobicContact CD1-CD1 4.06Å; L585-L589 HydrophobicContact CD1-CG 4.14Å; L585-L589 HydrophobicContact CD2-CD1 4.45Å; L585-L589 HydrophobicContact CG-CD1 3.88Å; L585-L589 HydrophobicContact CG-CG 4.28Å; L585-L589 WeakPolarHBondContact O-CB 3.46Å; L585-L589 VanDerWaalsContact O-CG 3.23Å; L585-L589 WeakPolarHBondContact O-CG 3.24Å; L585-L589 PolarHBondContact O-N 3.49Å
586	G	83.5	Confident	86	Confident	2 Å²	2	26.7 Å²	26.7	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-66	-60.6	175.4	0	0	0	0	0	110.4	D584 A588 L589 T590	D584-G586 WeakPolarHBondContact OD1-CA 3.34Å; D584-G586 PolarHBondContact OD1-N 3.36Å; G586-A588 PolarHBondContact O-N 3.14Å; G586-L589 PolarHBondContact O-N 2.71Å; G586-T590 PolarHBondContact O-N 3.44Å; G586-T590 PolarHBondContact O-OG1 2.86Å
587	A	83.9	Confident	86.3	Confident	24 Å²	24	24.2 Å²	24.2	20%	0.198	14%	0.142	C	C	.	.	H	α-helix	trans	-60.4	-22.2	179.5	0	0	0	0	0	113.5	R391 D584 T590 E655	R391-A587 PolarHBondContact NH1-O 2.82Å; R391-A587 PolarHBondContact NH2-O 2.85Å; D584-A587 HydrophobicContact CB-CB 4.22Å; D584-A587 PolarHBondContact OD1-N 2.86Å; D584-A587 VanDerWaalsContact OD2-CB 3.24Å; D584-A587 WeakPolarHBondContact OD2-CB 3.41Å; A587-T590 PolarHBondContact O-OG1 2.92Å; A587-E655 VanDerWaalsContact CA-OE1 3.26Å; A587-E655 WeakPolarHBondContact CA-OE1 3.42Å; A587-E655 PolarHBondContact N-OE1 3.15Å
588	A	84.1	Confident	86.5	Confident	2 Å²	2	24 Å²	24	2%	0.017	14%	0.141	C	C	.	.	H	α-helix	trans	-82.8	-21.5	176	0	0	0	0	0	114.5	P582 D584 G586 V594	P582-A588 HydrophobicContact CG-CB 4.11Å; D584-A588 WeakPolarHBondContact O-CB 3.14Å; D584-A588 PolarHBondContact O-N 3.39Å; G586-A588 PolarHBondContact O-N 3.14Å; A588-V594 WeakPolarHBondContact O-CG2 3.42Å
589	L	88.5	Confident	86.8	Confident	2 Å²	2	16.8 Å²	16.8	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-104.6	-19.9	-178.8	-63.6	-177.6	0	0	0	113.8	L569 I573 L585 G586 D591 G592 V594 L595 I652 L658	L569-L589 HydrophobicContact CD2-CD1 4.1Å; I573-L589 HydrophobicContact CD1-CD1 4.18Å; I573-L589 HydrophobicContact CD1-CD2 3.93Å; L585-L589 HydrophobicContact CD1-CD1 4.06Å; L585-L589 HydrophobicContact CD1-CG 4.14Å; L585-L589 HydrophobicContact CD2-CD1 4.45Å; L585-L589 HydrophobicContact CG-CD1 3.88Å; L585-L589 HydrophobicContact CG-CG 4.28Å; L585-L589 WeakPolarHBondContact O-CB 3.46Å; L585-L589 VanDerWaalsContact O-CG 3.23Å; L585-L589 WeakPolarHBondContact O-CG 3.24Å; L585-L589 PolarHBondContact O-N 3.49Å; G586-L589 PolarHBondContact O-N 2.71Å; L589-D591 VanDerWaalsContact C-N 3.29Å; L589-D591 PolarHBondContact O-N 3.35Å; L589-G592 PolarHBondContact O-N 2.97Å; L589-V594 HydrophobicContact CD2-CB 3.82Å; L589-V594 HydrophobicContact CD2-CG1 3.88Å; L589-V594 HydrophobicContact CD2-CG2 4.43Å; L589-L595 HydrophobicContact CD1-CD2 4.47Å; L589-L595 HydrophobicContact CD2-CD2 4.02Å; L589-L595 HydrophobicContact CD2-CG 4.12Å; L589-I652 VanDerWaalsContact O-CG2 3.3Å; L589-I652 WeakPolarHBondContact O-CG2 3.33Å; L589-L658 HydrophobicContact CD1-CD2 4.11Å
590	T	88.1	Confident	87	Confident	14 Å²	14	17.7 Å²	17.7	9%	0.086	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-36.7	-177.4	34.2	0	0	0	0	115.4	G586 A587 G592 I652 E655	G586-T590 PolarHBondContact O-N 3.44Å; G586-T590 PolarHBondContact O-OG1 2.86Å; A587-T590 PolarHBondContact O-OG1 2.92Å; T590-G592 PolarHBondContact O-N 3.38Å; T590-I652 WeakPolarHBondContact CG2-O 3.34Å; T590-E655 HydrophobicContact CG2-CG 3.28Å; T590-E655 WeakPolarHBondContact CG2-OE1 3.4Å
591	D	87	Confident	87.2	Confident	6 Å²	6	18.8 Å²	18.8	3%	0.032	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-1.5	178.8	66.3	30.5	0	0	0	114.5	Y387 R391 L589 V593 L620 C625 N628	Y387-D591 PolarHBondContact OH-OD1 3.47Å; Y387-D591 PolarHBondContact OH-OD2 3.23Å; R391-D591 IonicContact CZ-OD2 3.77Å; R391-D591 IonicContact NE-OD2 2.66Å; R391-D591 IonicContact NH2-OD2 2.75Å; R391-D591 PolarHBondContact NH2-OD2 3.28Å; L589-D591 VanDerWaalsContact C-N 3.29Å; L589-D591 PolarHBondContact O-N 3.35Å; D591-V593 HydrophobicContact CB-CG2 4.43Å; D591-V593 PolarHBondContact O-N 2.97Å; D591-V593 VanDerWaalsContact OD1-CB 3.32Å; D591-V593 WeakPolarHBondContact OD1-CB 3.48Å; D591-V593 VanDerWaalsContact OD1-CG2 3.31Å; D591-V593 WeakPolarHBondContact OD1-CG2 3.44Å; D591-V593 PolarHBondContact OD1-N 2.97Å; D591-V593 VanDerWaalsContact OD1-N 3.09Å; D591-L620 HydrophobicContact CB-CD1 3.86Å; D591-C625 HydrophobicContact CB-CB 4.45Å; D591-N628 VanDerWaalsContact O-CB 3.26Å; D591-N628 WeakPolarHBondContact O-CB 3.47Å; D591-N628 PolarHBondContact O-ND2 3.12Å
592	G	89.6	Confident	87.3	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	68	-4.5	176.7	0	0	0	0	0	115.1	L589 T590 V594 L595 C596	L589-G592 PolarHBondContact O-N 2.97Å; T590-G592 PolarHBondContact O-N 3.38Å; G592-V594 PolarHBondContact O-N 3.2Å; G592-L595 PolarHBondContact O-N 3.45Å; G592-C596 WeakPolarHBondContact O-CB 3.5Å; G592-C596 PolarHBondContact O-N 3.01Å; G592-C596 PolarHBondContact O-SG 3.4Å; G592-C596 VanDerWaalsContact O-SG 3.36Å
593	V	91.1	Very high	87.4	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.7	-50.9	-174.5	177	0	0	0	0	110.3	F384 Y387 D591 L595 C596 H597 I610 H611 V612 L620	F384-V593 HydrophobicContact CD2-CG1 4.1Å; F384-V593 HydrophobicContact CE2-CG1 4.13Å; Y387-V593 HydrophobicContact CD1-CG1 3.99Å; Y387-V593 HydrophobicContact CE1-CB 4.06Å; Y387-V593 HydrophobicContact CE1-CG1 3.81Å; D591-V593 HydrophobicContact CB-CG2 4.43Å; D591-V593 PolarHBondContact O-N 2.97Å; D591-V593 VanDerWaalsContact OD1-CB 3.32Å; D591-V593 WeakPolarHBondContact OD1-CB 3.48Å; D591-V593 VanDerWaalsContact OD1-CG2 3.31Å; D591-V593 WeakPolarHBondContact OD1-CG2 3.44Å; D591-V593 PolarHBondContact OD1-N 2.97Å; D591-V593 VanDerWaalsContact OD1-N 3.09Å; V593-L595 VanDerWaalsContact C-N 3.31Å; V593-L595 PolarHBondContact O-N 3.33Å; V593-C596 PolarHBondContact O-N 3.1Å; V593-H597 PolarHBondContact O-CD2 3.25Å; V593-H597 VanDerWaalsContact O-CD2 3.26Å; V593-H597 PolarHBondContact O-N 2.92Å; V593-I610 HydrophobicContact CG1-CG2 4.23Å; V593-I610 HydrophobicContact CG2-CG2 4.4Å; V593-H611 WeakPolarHBondContact CG2-O 3.27Å; V593-V612 HydrophobicContact CG1-CG2 4.21Å; V593-L620 HydrophobicContact CG2-CD1 3.76Å
594	V	91.4	Very high	87.9	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-58.4	-43.1	-180	-175	0	0	0	0	111.5	Y387 I388 I573 L577 L581 A588 L589 G592 H597 L598	Y387-V594 HydrophobicContact CE1-CG2 4.42Å; I388-V594 HydrophobicContact CD1-CG2 4Å; I573-V594 HydrophobicContact CG2-CG1 3.73Å; L577-V594 HydrophobicContact CD1-CG1 3.97Å; L581-V594 HydrophobicContact CD2-CG1 4.06Å; L581-V594 HydrophobicContact CD2-CG2 4.42Å; A588-V594 WeakPolarHBondContact O-CG2 3.42Å; L589-V594 HydrophobicContact CD2-CB 3.82Å; L589-V594 HydrophobicContact CD2-CG1 3.88Å; L589-V594 HydrophobicContact CD2-CG2 4.43Å; G592-V594 PolarHBondContact O-N 3.2Å; V594-H597 PolarHBondContact O-N 3.39Å; V594-L598 PolarHBondContact O-N 3.2Å
595	L	92	Very high	87.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.2	-42.5	-180	-63.3	177.6	0	0	0	111.9	I573 L589 G592 V593 H597 L598 A599 F632 I652 V661 V665	I573-L595 HydrophobicContact CD1-CD2 4.32Å; L589-L595 HydrophobicContact CD1-CD2 4.47Å; L589-L595 HydrophobicContact CD2-CD2 4.02Å; L589-L595 HydrophobicContact CD2-CG 4.12Å; G592-L595 PolarHBondContact O-N 3.45Å; V593-L595 VanDerWaalsContact C-N 3.31Å; V593-L595 PolarHBondContact O-N 3.33Å; L595-H597 VanDerWaalsContact C-N 3.35Å; L595-H597 PolarHBondContact O-N 2.85Å; L595-L598 WeakPolarHBondContact O-CB 3.24Å; L595-L598 PolarHBondContact O-N 3.48Å; L595-A599 PolarHBondContact O-N 2.99Å; L595-F632 VanDerWaalsContact C-CD2 3.43Å; L595-F632 HydrophobicContact CB-CB 4.34Å; L595-F632 HydrophobicContact CB-CD1 3.9Å; L595-F632 HydrophobicContact CB-CD2 3.64Å; L595-F632 HydrophobicContact CB-CE1 4.07Å; L595-F632 HydrophobicContact CB-CE2 3.8Å; L595-F632 HydrophobicContact CB-CG 3.68Å; L595-F632 HydrophobicContact CB-CZ 4.01Å; L595-F632 HydrophobicContact CD1-CD1 4.04Å; L595-F632 HydrophobicContact CD1-CE1 3.95Å; L595-F632 HydrophobicContact CD1-CZ 4.47Å; L595-F632 HydrophobicContact CD2-CE1 4.42Å; L595-F632 HydrophobicContact CD2-CZ 4.14Å; L595-F632 HydrophobicContact CG-CE1 4.38Å; L595-F632 HydrophobicContact CG-CZ 4.44Å; L595-F632 WeakPolarHBondContact O-CD2 3.5Å; L595-F632 WeakPolarHBondContact O-CE2 3.26Å; L595-I652 HydrophobicContact CD1-CD1 3.69Å; L595-I652 HydrophobicContact CD1-CG1 4.01Å; L595-I652 HydrophobicContact CD1-CG2 3.87Å; L595-V661 HydrophobicContact CD1-CG1 4.47Å; L595-V661 HydrophobicContact CD2-CG1 4.44Å; L595-V665 HydrophobicContact CD2-CG2 4.07Å
596	C	91.4	Very high	88.1	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.8	-42.4	173.5	-76	0	0	0	0	112.7	G592 V593 A599 N600 V607 I610 N628	G592-C596 WeakPolarHBondContact O-CB 3.5Å; G592-C596 PolarHBondContact O-N 3.01Å; G592-C596 PolarHBondContact O-SG 3.4Å; G592-C596 VanDerWaalsContact O-SG 3.36Å; V593-C596 PolarHBondContact O-N 3.1Å; C596-A599 PolarHBondContact O-N 2.89Å; C596-N600 PolarHBondContact O-N 3.49Å; C596-N600 VanDerWaalsContact O-N 3.13Å; C596-V607 HydrophobicContact CB-CG1 4.1Å; C596-V607 HydrophobicContact CB-CG2 4.31Å; C596-I610 HydrophobicContact CB-CB 4.47Å; C596-I610 HydrophobicContact CB-CD1 3.59Å; C596-I610 HydrophobicContact CB-CG1 3.74Å; C596-I610 HydrophobicContact CB-CG2 3.97Å; C596-N628 PolarHBondContact SG-O 3.41Å
597	H	88.9	Confident	88.3	Confident	28 Å²	28	32.9 Å²	32.9	13%	0.13	16%	0.157	C	C	.	.	H	α-helix	trans	-65.3	-39.4	174.7	-83.1	-83.8	0	0	0	111.8	F384 V593 V594 L595 N600 H601	F384-H597 HydrophobicContact CD2-CB 4.35Å; F384-H597 AromaticContact CD2-CD2 3.27Å; F384-H597 WeakPolarHBondContact CD2-CD2 3.49Å; F384-H597 AromaticContact CD2-CE1 3.89Å; F384-H597 AromaticContact CD2-CG 3.63Å; F384-H597 AromaticContact CD2-ND1 3.99Å; F384-H597 AromaticContact CD2-NE2 3.48Å; F384-H597 WeakPolarHBondContact CD2-NE2 3.49Å; F384-H597 HydrophobicContact CE2-CB 3.93Å; F384-H597 AromaticContact CE2-CD2 3.52Å; F384-H597 AromaticContact CE2-CG 3.7Å; F384-H597 HydrophobicContact CZ-CB 4.16Å; V593-H597 PolarHBondContact O-CD2 3.25Å; V593-H597 VanDerWaalsContact O-CD2 3.26Å; V593-H597 PolarHBondContact O-N 2.92Å; V594-H597 PolarHBondContact O-N 3.39Å; L595-H597 VanDerWaalsContact C-N 3.35Å; L595-H597 PolarHBondContact O-N 2.85Å; H597-N600 PolarHBondContact O-N 3.31Å; H597-H601 PolarHBondContact O-CD2 3.49Å; H597-H601 PolarHBondContact O-N 3.3Å
598	L	90.5	Very high	87.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.4	-46.5	174.8	-170.9	72.6	0	0	0	112.5	I573 R576 L577 V594 L595 N600 H601 V602 V665 L669	I573-L598 HydrophobicContact CG1-CD2 4.01Å; I573-L598 HydrophobicContact CG2-CD1 4.43Å; R576-L598 HydrophobicContact CB-CD1 3.83Å; L577-L598 HydrophobicContact CD2-CD1 4.32Å; L577-L598 HydrophobicContact CG-CD1 4.06Å; V594-L598 PolarHBondContact O-N 3.2Å; L595-L598 WeakPolarHBondContact O-CB 3.24Å; L595-L598 PolarHBondContact O-N 3.48Å; L598-N600 VanDerWaalsContact C-N 3.31Å; L598-N600 PolarHBondContact O-N 2.67Å; L598-H601 WeakPolarHBondContact O-CB 3.29Å; L598-H601 PolarHBondContact O-N 3.07Å; L598-H601 VanDerWaalsContact O-N 3.1Å; L598-V602 WeakPolarHBondContact O-CG2 3.21Å; L598-V602 PolarHBondContact O-N 3.33Å; L598-V665 HydrophobicContact CD2-CG1 3.74Å; L598-V665 HydrophobicContact CD2-CG2 4.11Å; L598-L669 HydrophobicContact CD1-CD2 4.33Å
599	A	90.3	Very high	88	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.5	-38.8	176.4	0	0	0	0	0	112.3	L595 C596 V602 R603 V607 F632 A635 I639 L668	L595-A599 PolarHBondContact O-N 2.99Å; C596-A599 PolarHBondContact O-N 2.89Å; A599-V602 PolarHBondContact O-N 3.33Å; A599-R603 PolarHBondContact O-N 3.08Å; A599-V607 HydrophobicContact CB-CG2 4.2Å; A599-F632 HydrophobicContact CB-CD2 3.93Å; A599-F632 HydrophobicContact CB-CE2 4.22Å; A599-A635 HydrophobicContact CB-CB 4.19Å; A599-I639 HydrophobicContact CB-CD1 4.36Å; A599-L668 HydrophobicContact CB-CD2 4.36Å
600	N	89.6	Confident	87.9	Confident	35 Å²	35	41.3 Å²	41.3	19%	0.187	21%	0.209	C	C	.	.	H	α-helix	trans	-69.2	-28	173.6	-88.1	-22.8	0	0	0	113.6	C596 H597 L598 R603 P604 R605 S606 V607	C596-N600 PolarHBondContact O-N 3.49Å; C596-N600 VanDerWaalsContact O-N 3.13Å; H597-N600 PolarHBondContact O-N 3.31Å; L598-N600 VanDerWaalsContact C-N 3.31Å; L598-N600 PolarHBondContact O-N 2.67Å; N600-R603 CarbonylContact O-C 3.57Å; N600-P604 VanDerWaalsContact O-CA 3.28Å; N600-P604 WeakPolarHBondContact O-CA 3.35Å; N600-R605 WeakPolarHBondContact OD1-CA 3.27Å; N600-R605 PolarHBondContact OD1-N 2.92Å; N600-S606 PolarHBondContact OD1-N 2.66Å; N600-V607 PolarHBondContact ND2-O 3.19Å; N600-V607 PolarHBondContact OD1-N 3.19Å; N600-V607 PolarHBondContact OD1-O 3.34Å
601	H	87.6	Confident	87.8	Confident	79 Å²	79	43.3 Å²	43.3	37%	0.366	22%	0.217	S	C	.	.	H	α-helix	trans	-73.2	-33.8	170.9	-93.6	-103	0	0	0	113.2	L380 L577 H597 L598	L380-H601 WeakPolarHBondContact CD2-NE2 3.36Å; L577-H601 HydrophobicContact CD2-CB 4.09Å; H597-H601 PolarHBondContact O-CD2 3.49Å; H597-H601 PolarHBondContact O-N 3.3Å; L598-H601 WeakPolarHBondContact O-CB 3.29Å; L598-H601 PolarHBondContact O-N 3.07Å; L598-H601 VanDerWaalsContact O-N 3.1Å
602	V	87.1	Confident	87.7	Confident	11 Å²	11	44.5 Å²	44.5	7%	0.067	22%	0.224	C	C	.	.	H	α-helix	trans	-69.6	-43.8	174.4	168.7	0	0	0	0	111.1	L598 A599 I639 L668 L669 A672	L598-V602 WeakPolarHBondContact O-CG2 3.21Å; L598-V602 PolarHBondContact O-N 3.33Å; A599-V602 PolarHBondContact O-N 3.33Å; V602-I639 HydrophobicContact CG1-CD1 4.37Å; V602-I639 HydrophobicContact CG1-CG2 4.07Å; V602-L668 HydrophobicContact CG1-CD1 4.26Å; V602-L668 HydrophobicContact CG1-CG 4.41Å; V602-L668 HydrophobicContact CG2-CG 4.23Å; V602-L669 HydrophobicContact CG2-CD2 3.63Å; V602-A672 HydrophobicContact CB-CB 4.45Å; V602-A672 HydrophobicContact CG1-CB 3.97Å; V602-A672 HydrophobicContact CG2-CB 4.1Å
603	R	86.6	Confident	87.1	Confident	136 Å²	136	45.5 Å²	45.5	51%	0.513	23%	0.231	S	C	.	.	S	Bend	trans	-146.6	106.9	178	-171.3	-179.2	-154.4	176.7	12.4	110.3	A599 N600 R605 S606 R638 I639	A599-R603 PolarHBondContact O-N 3.08Å; N600-R603 CarbonylContact O-C 3.57Å; R603-R605 PolarHBondContact O-N 2.95Å; R603-S606 VanDerWaalsContact CB-OG 3.31Å; R603-S606 WeakPolarHBondContact CB-OG 3.46Å; R603-S606 WeakPolarHBondContact CG-OG 3.35Å; R603-S606 WeakPolarHBondContact O-CB 3.17Å; R603-S606 PolarHBondContact O-N 2.95Å; R603-S606 PolarHBondContact O-OG 3.23Å; R603-R638 PolarHBondContact NH1-O 2.99Å; R603-I639 HydrophobicContact CB-CD1 4.06Å; R603-I639 HydrophobicContact CB-CG1 3.96Å
604	P	87.3	Confident	86.3	Confident	104 Å²	104	48.1 Å²	48.1	68%	0.675	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	136.2	-175.1	-30.4	36.5	0	0	0	114.5	N600 S606	N600-P604 VanDerWaalsContact O-CA 3.28Å; N600-P604 WeakPolarHBondContact O-CA 3.35Å; P604-S606 VanDerWaalsContact C-N 3.32Å
605	R	83.2	Confident	84.8	Confident	227 Å²	227	53.4 Å²	53.4	86%	0.857	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	21.1	-178.8	-51.5	177.4	-69.2	-171.7	-1.9	115.2	N600 R603	N600-R605 WeakPolarHBondContact OD1-CA 3.27Å; N600-R605 PolarHBondContact OD1-N 2.92Å; R603-R605 PolarHBondContact O-N 2.95Å
606	S	88	Confident	82.9	Confident	17 Å²	17	57.5 Å²	57.5	12%	0.119	32%	0.318	C	S	.	.	S	Bend	trans	-72	-34.8	174.1	-59.9	0	0	0	0	112.9	N600 R603 P604	N600-S606 PolarHBondContact OD1-N 2.66Å; R603-S606 VanDerWaalsContact CB-OG 3.31Å; R603-S606 WeakPolarHBondContact CB-OG 3.46Å; R603-S606 WeakPolarHBondContact CG-OG 3.35Å; R603-S606 WeakPolarHBondContact O-CB 3.17Å; R603-S606 PolarHBondContact O-N 2.95Å; R603-S606 PolarHBondContact O-OG 3.23Å; P604-S606 VanDerWaalsContact C-N 3.32Å
607	V	89.3	Confident	81.8	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.024	34%	0.343	C	S	.	.	S	Bend	trans	-101.3	112.5	166.8	175.6	0	0	0	0	108.2	C596 A599 N600 S609 I610 N631 A635	C596-V607 HydrophobicContact CB-CG1 4.1Å; C596-V607 HydrophobicContact CB-CG2 4.31Å; A599-V607 HydrophobicContact CB-CG2 4.2Å; N600-V607 PolarHBondContact ND2-O 3.19Å; N600-V607 PolarHBondContact OD1-N 3.19Å; N600-V607 PolarHBondContact OD1-O 3.34Å; V607-S609 VanDerWaalsContact CG1-O 3.28Å; V607-S609 WeakPolarHBondContact CG1-O 3.33Å; V607-I610 HydrophobicContact CG1-CD1 4.38Å; V607-I610 HydrophobicContact CG1-CG1 3.68Å; V607-N631 HydrophobicContact CG1-CB 4.04Å; V607-A635 HydrophobicContact CG2-CB 3.55Å
608	P	75.4	Confident	80.5	Confident	107 Å²	107	63.2 Å²	63.2	70%	0.695	36%	0.355	S	S	*	.			trans	-81.9	-18.5	-172	32.3	-36.3	0	0	0	114
609	S	84.5	Confident	79.8	Confident	65 Å²	65	71.2 Å²	71.2	46%	0.455	39%	0.39	S	S	.	.			trans	-151.8	138.5	177.1	-171.1	0	0	0	0	109.9	V607 N631	V607-S609 VanDerWaalsContact CG1-O 3.28Å; V607-S609 WeakPolarHBondContact CG1-O 3.33Å; S609-N631 PolarHBondContact O-ND2 3.28Å; S609-N631 VanDerWaalsContact O-ND2 3.08Å
610	I	87.4	Confident	79.1	Confident	33 Å²	33	72.4 Å²	72.4	17%	0.169	40%	0.396	C	S	.	.			trans	-128.6	124.5	179.4	-51.1	177.5	0	0	0	106.5	V593 C596 V607 V612	V593-I610 HydrophobicContact CG1-CG2 4.23Å; V593-I610 HydrophobicContact CG2-CG2 4.4Å; C596-I610 HydrophobicContact CB-CB 4.47Å; C596-I610 HydrophobicContact CB-CD1 3.59Å; C596-I610 HydrophobicContact CB-CG1 3.74Å; C596-I610 HydrophobicContact CB-CG2 3.97Å; V607-I610 HydrophobicContact CG1-CD1 4.38Å; V607-I610 HydrophobicContact CG1-CG1 3.68Å; I610-V612 HydrophobicContact CB-CG2 4.49Å; I610-V612 HydrophobicContact CG2-CG2 4.09Å; I610-V612 PolarHBondContact O-N 3.26Å
611	H	85	Confident	78.6	Confident	57 Å²	57	72.1 Å²	72.1	26%	0.264	40%	0.396	S	S	.	.			trans	-79.9	111.5	171.4	-60.5	-65	0	0	0	108.3	V593 L620 K624 N628	V593-H611 WeakPolarHBondContact CG2-O 3.27Å; H611-L620 HydrophobicContact CB-CD2 3.77Å; H611-L620 VanDerWaalsContact O-CD1 3.22Å; H611-L620 WeakPolarHBondContact O-CD1 3.4Å; H611-K624 HydrophobicContact CB-CB 4.16Å; H611-N628 PolarHBondContact N-OD1 3.45Å; H611-N628 PolarHBondContact O-ND2 3.12Å
612	V	85.6	Confident	78.2	Confident	31 Å²	31	72.3 Å²	72.3	19%	0.188	40%	0.398	C	S	.	.			trans	-105.2	144.5	177.3	-176.3	0	0	0	0	108.5	Q383 Y387 V593 I610	Q383-V612 HydrophobicContact CG-CG1 4.35Å; Y387-V612 HydrophobicContact CG-CG1 4.39Å; V593-V612 HydrophobicContact CG1-CG2 4.21Å; I610-V612 HydrophobicContact CB-CG2 4.49Å; I610-V612 HydrophobicContact CG2-CG2 4.09Å; I610-V612 PolarHBondContact O-N 3.26Å
613	P	77.3	Confident	77.4	Confident	21 Å²	21	72.2 Å²	72.2	14%	0.136	40%	0.398	C	S	.	.			trans	-62.2	144.4	177.6	-16.5	28.9	0	0	0	111.9	Y387 L620	Y387-P613 HydrophobicContact CD2-CG 3.84Å; Y387-P613 HydrophobicContact CE2-CG 3.78Å; P613-L620 HydrophobicContact CG-CD1 3.84Å; P613-L620 HydrophobicContact CG-CG 3.94Å
614	S	73.6	Confident	77.2	Confident	55 Å²	55	68.3 Å²	68.3	39%	0.385	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-88.7	153.3	174.7	171.4	0	0	0	0	110.4	A616 V617	S614-A616 PolarHBondContact O-N 3.4Å; S614-A616 VanDerWaalsContact O-N 3.16Å; S614-A616 PolarHBondContact OG-N 3.11Å; S614-V617 PolarHBondContact N-O 3.21Å; S614-V617 CarbonylContact O-C 3.13Å; S614-V617 PolarHBondContact O-N 3.3Å
615	P	59.5	Low	77.2	Confident	111 Å²	111	63.4 Å²	63.4	72%	0.721	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	-40.2	168.4	-30.1	37.1	0	0	0	113.3	R390	R390-P615 PolarHBondContact NH1-O 3.12Å
616	A	53.4	Low	77.2	Confident	87 Å²	87	54.9 Å²	54.9	72%	0.719	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-21.5	178.5	0	0	0	0	0	114.7	S614	S614-A616 PolarHBondContact O-N 3.4Å; S614-A616 VanDerWaalsContact O-N 3.16Å; S614-A616 PolarHBondContact OG-N 3.11Å
617	V	68.4	Low	77	Confident	89 Å²	89	59.6 Å²	59.6	54%	0.539	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-128.4	81.9	179.8	-174	0	0	0	0	108.3	S614 K619	S614-V617 PolarHBondContact N-O 3.21Å; S614-V617 CarbonylContact O-C 3.13Å; S614-V617 PolarHBondContact O-N 3.3Å; V617-K619 VanDerWaalsContact C-N 3.25Å; V617-K619 PolarHBondContact O-N 3.09Å
618	P	60.4	Low	77.1	Confident	58 Å²	58	59.4 Å²	59.4	38%	0.377	34%	0.335	S	S	.	.			trans	-82.2	9.1	-162.7	34.1	-39	0	0	0	115.1
619	K	76.7	Confident	77.9	Confident	168 Å²	168	54.3 Å²	54.3	73%	0.73	30%	0.302	S	S	*	.	S	Bend	trans	-138.7	141.9	167.2	-73.3	-167.6	175.2	-169	0	107.9	V617	V617-K619 VanDerWaalsContact C-N 3.25Å; V617-K619 PolarHBondContact O-N 3.09Å
620	L	76.1	Confident	78.1	Confident	25 Å²	25	55.8 Å²	55.8	13%	0.131	30%	0.301	C	S	.	.			trans	-76	147.2	169.3	-74.2	152.4	0	0	0	109.8	D591 V593 H611 P613 K624	D591-L620 HydrophobicContact CB-CD1 3.86Å; V593-L620 HydrophobicContact CG2-CD1 3.76Å; H611-L620 HydrophobicContact CB-CD2 3.77Å; H611-L620 VanDerWaalsContact O-CD1 3.22Å; H611-L620 WeakPolarHBondContact O-CD1 3.4Å; P613-L620 HydrophobicContact CG-CD1 3.84Å; P613-L620 HydrophobicContact CG-CG 3.94Å; L620-K624 HydrophobicContact CB-CB 4.44Å; L620-K624 HydrophobicContact CD2-CB 3.9Å
621	T	78.2	Confident	78.2	Confident	29 Å²	29	56.2 Å²	56.2	18%	0.178	30%	0.304	C	S	.	.			trans	-65.2	147.1	167	54.2	0	0	0	0	109.3	D79 A623 K624 C625	D79-T621 WeakPolarHBondContact OD1-CB 3.24Å; D79-T621 VanDerWaalsContact OD1-CG2 3.27Å; D79-T621 WeakPolarHBondContact OD1-CG2 3.09Å; D79-T621 WeakPolarHBondContact OD2-CB 3.42Å; T621-A623 PolarHBondContact O-N 3.09Å; T621-K624 CarbonylContact O-C 3.43Å; T621-K624 WeakPolarHBondContact O-CA 3.49Å; T621-K624 PolarHBondContact O-N 3.03Å; T621-K624 WeakPolarHBondContact OG1-CD 3.21Å; T621-K624 WeakPolarHBondContact OG1-CG 3.26Å; T621-K624 PolarHBondContact OG1-N 2.84Å; T621-C625 PolarHBondContact O-N 3.38Å; T621-C625 PolarHBondContact O-SG 3.36Å
622	M	80.3	Confident	78.7	Confident	84 Å²	84	53.5 Å²	53.5	41%	0.414	29%	0.292	S	S	.	.	H	α-helix	trans	-57.9	-30	176.2	-72.5	-64.3	118	0	0	112.3	D79 C625 R626	D79-M622 VanDerWaalsContact OD2-CA 3.27Å; D79-M622 WeakPolarHBondContact OD2-CA 3.36Å; D79-M622 WeakPolarHBondContact OD2-CB 3.45Å; D79-M622 PolarHBondContact OD2-N 2.93Å; M622-C625 HydrophobicContact CE-CB 4.46Å; M622-C625 HydrophobicContact SD-CB 4.45Å; M622-R626 VanDerWaalsContact O-CB 3.27Å; M622-R626 WeakPolarHBondContact O-CB 3.31Å; M622-R626 WeakPolarHBondContact O-CG 3.32Å; M622-R626 PolarHBondContact O-N 3.21Å; M622-R626 PolarHBondContact O-NE 2.93Å
623	A	70.1	Confident	79	Confident	8 Å²	8	52.2 Å²	52.2	7%	0.066	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-41.8	168.3	0	0	0	0	0	113	D79 V81 T621 R627	D79-A623 PolarHBondContact OD2-N 3.06Å; V81-A623 HydrophobicContact CG2-CB 4.2Å; T621-A623 PolarHBondContact O-N 3.09Å; A623-R627 WeakPolarHBondContact O-CB 3.45Å; A623-R627 PolarHBondContact O-N 3.37Å; A623-R627 VanDerWaalsContact O-N 3.08Å
624	K	81.1	Confident	79.7	Confident	54 Å²	54	54.1 Å²	54.1	24%	0.235	29%	0.291	C	S	.	.	H	α-helix	trans	-76.6	-34.4	178.2	-71	172	-179.3	170.7	0	111.9	E104 H611 L620 T621 R627 N628	E104-K624 WeakPolarHBondContact OE1-CE 3.21Å; E104-K624 IonicContact OE1-NZ 3.92Å; E104-K624 PolarHBondContact OE1-NZ 3.38Å; H611-K624 HydrophobicContact CB-CB 4.16Å; L620-K624 HydrophobicContact CB-CB 4.44Å; L620-K624 HydrophobicContact CD2-CB 3.9Å; T621-K624 CarbonylContact O-C 3.43Å; T621-K624 WeakPolarHBondContact O-CA 3.49Å; T621-K624 PolarHBondContact O-N 3.03Å; T621-K624 WeakPolarHBondContact OG1-CD 3.21Å; T621-K624 WeakPolarHBondContact OG1-CG 3.26Å; T621-K624 PolarHBondContact OG1-N 2.84Å; K624-R627 PolarHBondContact O-N 3.12Å; K624-N628 PolarHBondContact O-N 3.42Å
625	C	87.6	Confident	80.5	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.014	27%	0.272	C	S	.	.	H	α-helix	trans	-59.2	-52.1	168.4	-59.3	0	0	0	0	111.6	D591 T621 M622 R627 N628 V629 L653	D591-C625 HydrophobicContact CB-CB 4.45Å; T621-C625 PolarHBondContact O-N 3.38Å; T621-C625 PolarHBondContact O-SG 3.36Å; M622-C625 HydrophobicContact CE-CB 4.46Å; M622-C625 HydrophobicContact SD-CB 4.45Å; C625-R627 VanDerWaalsContact C-N 3.31Å; C625-R627 PolarHBondContact O-N 3.24Å; C625-N628 WeakPolarHBondContact O-CB 3.3Å; C625-N628 PolarHBondContact O-N 3.48Å; C625-N628 VanDerWaalsContact O-N 3.14Å; C625-V629 WeakPolarHBondContact O-CG2 3.27Å; C625-V629 PolarHBondContact O-N 2.87Å; C625-L653 HydrophobicContact CB-CD2 4.2Å
626	R	84.3	Confident	82.1	Confident	48 Å²	48	46.2 Å²	46.2	18%	0.181	24%	0.238	C	C	.	.	H	α-helix	trans	-55.5	-44.6	176.1	-86	169.4	-72	-159.3	26.2	112	S53 V54 M622 N628 V629 E630 L653	S53-R626 PolarHBondContact O-NH1 3.47Å; S53-R626 PolarHBondContact O-NH2 3.12Å; V54-R626 WeakPolarHBondContact O-CD 3.49Å; V54-R626 PolarHBondContact O-NE 3.46Å; V54-R626 PolarHBondContact O-NH2 2.8Å; M622-R626 VanDerWaalsContact O-CB 3.27Å; M622-R626 WeakPolarHBondContact O-CB 3.31Å; M622-R626 WeakPolarHBondContact O-CG 3.32Å; M622-R626 PolarHBondContact O-N 3.21Å; M622-R626 PolarHBondContact O-NE 2.93Å; R626-N628 PolarHBondContact O-N 2.96Å; R626-V629 PolarHBondContact O-N 3.26Å; R626-V629 VanDerWaalsContact O-N 3.16Å; R626-E630 WeakPolarHBondContact O-CG 3.32Å; R626-E630 PolarHBondContact O-N 3.18Å; R626-L653 HydrophobicContact CG-CD1 3.35Å; R626-L653 HydrophobicContact CG-CD2 3.78Å; R626-L653 HydrophobicContact CG-CG 4.21Å
627	R	82.8	Confident	83.9	Confident	115 Å²	115	47.7 Å²	47.7	43%	0.434	23%	0.225	S	C	.	.	H	α-helix	trans	-65.4	-34.4	178.3	-160.2	170.2	-167.8	85.2	7.1	113.6	A623 K624 C625 N631	A623-R627 WeakPolarHBondContact O-CB 3.45Å; A623-R627 PolarHBondContact O-N 3.37Å; A623-R627 VanDerWaalsContact O-N 3.08Å; K624-R627 PolarHBondContact O-N 3.12Å; C625-R627 VanDerWaalsContact C-N 3.31Å; C625-R627 PolarHBondContact O-N 3.24Å; R627-N631 WeakPolarHBondContact O-CB 3.24Å; R627-N631 PolarHBondContact O-N 3.48Å; R627-N631 PolarHBondContact O-ND2 2.88Å
628	N	90.9	Very high	84.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65	-48.1	169.4	-74.4	-18.9	0	0	0	111.1	D591 C596 H611 K624 C625 R626 E630 N631 F632	D591-N628 VanDerWaalsContact O-CB 3.26Å; D591-N628 WeakPolarHBondContact O-CB 3.47Å; D591-N628 PolarHBondContact O-ND2 3.12Å; C596-N628 PolarHBondContact SG-O 3.41Å; H611-N628 PolarHBondContact N-OD1 3.45Å; H611-N628 PolarHBondContact O-ND2 3.12Å; K624-N628 PolarHBondContact O-N 3.42Å; C625-N628 WeakPolarHBondContact O-CB 3.3Å; C625-N628 PolarHBondContact O-N 3.48Å; C625-N628 VanDerWaalsContact O-N 3.14Å; R626-N628 PolarHBondContact O-N 2.96Å; N628-E630 PolarHBondContact O-N 2.89Å; N628-N631 WeakPolarHBondContact O-CB 3.36Å; N628-N631 PolarHBondContact O-N 3.48Å; N628-F632 PolarHBondContact O-N 3.03Å
629	V	91.9	Very high	86.3	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-42.6	179.1	170.3	0	0	0	0	112.2	C625 R626 F632 L633 P649 I652 L653	C625-V629 WeakPolarHBondContact O-CG2 3.27Å; C625-V629 PolarHBondContact O-N 2.87Å; R626-V629 PolarHBondContact O-N 3.26Å; R626-V629 VanDerWaalsContact O-N 3.16Å; V629-F632 PolarHBondContact O-N 3.48Å; V629-L633 HydrophobicContact CG1-CD1 4.07Å; V629-L633 WeakPolarHBondContact O-CG 3.14Å; V629-L633 PolarHBondContact O-N 3.47Å; V629-P649 HydrophobicContact CG1-CB 3.93Å; V629-I652 HydrophobicContact CG1-CB 4.22Å; V629-I652 HydrophobicContact CG1-CD1 3.69Å; V629-I652 HydrophobicContact CG2-CB 4.17Å; V629-I652 HydrophobicContact CG2-CD1 4.48Å; V629-I652 HydrophobicContact CG2-CG2 3.63Å; V629-L653 HydrophobicContact CG2-CD2 4.03Å; V629-L653 HydrophobicContact CG2-CG 4.34Å
630	E	89.5	Confident	86.8	Confident	96 Å²	96	42.6 Å²	42.6	45%	0.449	20%	0.199	S	C	.	.	H	α-helix	trans	-61.3	-48.2	173.1	-73.7	174.4	173.1	0	0	112	R626 N628 F632 L633 E634	R626-E630 WeakPolarHBondContact O-CG 3.32Å; R626-E630 PolarHBondContact O-N 3.18Å; N628-E630 PolarHBondContact O-N 2.89Å; E630-F632 VanDerWaalsContact C-N 3.29Å; E630-F632 PolarHBondContact O-N 2.83Å; E630-L633 PolarHBondContact O-N 3.19Å; E630-E634 VanDerWaalsContact O-CB 3.22Å; E630-E634 WeakPolarHBondContact O-CB 3.44Å; E630-E634 PolarHBondContact O-N 3.22Å
631	N	90.8	Very high	87.5	Confident	43 Å²	43	41.7 Å²	41.7	23%	0.23	20%	0.195	C	C	.	.	H	α-helix	trans	-58.7	-39.9	176.4	-79.5	-13.1	0	0	0	111.9	V607 S609 R627 N628 A635	V607-N631 HydrophobicContact CG1-CB 4.04Å; S609-N631 PolarHBondContact O-ND2 3.28Å; S609-N631 VanDerWaalsContact O-ND2 3.08Å; R627-N631 WeakPolarHBondContact O-CB 3.24Å; R627-N631 PolarHBondContact O-N 3.48Å; R627-N631 PolarHBondContact O-ND2 2.88Å; N628-N631 WeakPolarHBondContact O-CB 3.36Å; N628-N631 PolarHBondContact O-N 3.48Å; N631-A635 VanDerWaalsContact O-CB 3.31Å; N631-A635 WeakPolarHBondContact O-CB 3.27Å; N631-A635 PolarHBondContact O-N 3.25Å
632	F	94.4	Very high	87.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.8	-52.9	175.6	166.4	-109.3	0	0	0	112.1	L595 A599 N628 V629 E630 E634 A635 C636 I652 T664 V665 L668	L595-F632 VanDerWaalsContact C-CD2 3.43Å; L595-F632 HydrophobicContact CB-CB 4.34Å; L595-F632 HydrophobicContact CB-CD1 3.9Å; L595-F632 HydrophobicContact CB-CD2 3.64Å; L595-F632 HydrophobicContact CB-CE1 4.07Å; L595-F632 HydrophobicContact CB-CE2 3.8Å; L595-F632 HydrophobicContact CB-CG 3.68Å; L595-F632 HydrophobicContact CB-CZ 4.01Å; L595-F632 HydrophobicContact CD1-CD1 4.04Å; L595-F632 HydrophobicContact CD1-CE1 3.95Å; L595-F632 HydrophobicContact CD1-CZ 4.47Å; L595-F632 HydrophobicContact CD2-CE1 4.42Å; L595-F632 HydrophobicContact CD2-CZ 4.14Å; L595-F632 HydrophobicContact CG-CE1 4.38Å; L595-F632 HydrophobicContact CG-CZ 4.44Å; L595-F632 WeakPolarHBondContact O-CD2 3.5Å; L595-F632 WeakPolarHBondContact O-CE2 3.26Å; A599-F632 HydrophobicContact CB-CD2 3.93Å; A599-F632 HydrophobicContact CB-CE2 4.22Å; N628-F632 PolarHBondContact O-N 3.03Å; V629-F632 PolarHBondContact O-N 3.48Å; E630-F632 VanDerWaalsContact C-N 3.29Å; E630-F632 PolarHBondContact O-N 2.83Å; F632-E634 VanDerWaalsContact C-N 3.29Å; F632-E634 PolarHBondContact O-N 3.01Å; F632-A635 WeakPolarHBondContact O-CB 3.42Å; F632-A635 PolarHBondContact O-N 2.98Å; F632-A635 VanDerWaalsContact O-N 3.12Å; F632-C636 VanDerWaalsContact CE2-SG 3.56Å; F632-C636 VanDerWaalsContact CZ-SG 3.58Å; F632-C636 PolarHBondContact O-N 3.44Å; F632-C636 PolarHBondContact O-SG 2.72Å; F632-I652 HydrophobicContact CD1-CD1 4.18Å; F632-I652 HydrophobicContact CE1-CD1 4.27Å; F632-T664 HydrophobicContact CE1-CG2 4.41Å; F632-T664 HydrophobicContact CZ-CG2 4.43Å; F632-V665 HydrophobicContact CZ-CG2 4.28Å; F632-L668 HydrophobicContact CE2-CD2 3.75Å; F632-L668 HydrophobicContact CZ-CD2 4.22Å
633	L	92.9	Very high	88.2	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-36.8	-178.8	-68.7	172	0	0	0	112	V629 E630 C636 R637 C647 P649	V629-L633 HydrophobicContact CG1-CD1 4.07Å; V629-L633 WeakPolarHBondContact O-CG 3.14Å; V629-L633 PolarHBondContact O-N 3.47Å; E630-L633 PolarHBondContact O-N 3.19Å; L633-C636 WeakPolarHBondContact O-CB 3.46Å; L633-C636 PolarHBondContact O-N 3.49Å; L633-R637 PolarHBondContact O-N 3.18Å; L633-R637 VanDerWaalsContact O-N 3.12Å; L633-C647 WeakPolarHBondContact CD2-O 3.39Å; L633-P649 HydrophobicContact CD1-CB 4.46Å; L633-P649 HydrophobicContact CD1-CG 3.85Å
634	E	90.4	Very high	89.1	Confident	60 Å²	60	51.7 Å²	51.7	28%	0.28	25%	0.251	S	S	.	.	H	α-helix	trans	-69.7	-35.9	174.5	179.3	57.1	-162.7	0	0	112.3	E630 F632 R637 R638	E630-E634 VanDerWaalsContact O-CB 3.22Å; E630-E634 WeakPolarHBondContact O-CB 3.44Å; E630-E634 PolarHBondContact O-N 3.22Å; F632-E634 VanDerWaalsContact C-N 3.29Å; F632-E634 PolarHBondContact O-N 3.01Å; E634-R637 PolarHBondContact O-N 2.79Å; E634-R637 WeakPolarHBondContact OE2-CD 3.23Å; E634-R637 IonicContact OE2-CZ 3.8Å; E634-R637 IonicContact OE2-NH1 3.6Å; E634-R637 PolarHBondContact OE2-NH1 3.48Å; E634-R638 VanDerWaalsContact O-CG 3.31Å; E634-R638 WeakPolarHBondContact O-CG 3.48Å; E634-R638 PolarHBondContact O-N 3.49Å; E634-R638 IonicContact OE1-CZ 3.71Å; E634-R638 IonicContact OE1-NE 2.72Å; E634-R638 PolarHBondContact OE1-NE 2.79Å; E634-R638 IonicContact OE1-NH2 3.13Å; E634-R638 PolarHBondContact OE1-NH2 3.26Å
635	A	90.9	Very high	89.4	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-40.7	169	0	0	0	0	0	111.8	A599 V607 N631 F632 R637 R638 I639	A599-A635 HydrophobicContact CB-CB 4.19Å; V607-A635 HydrophobicContact CG2-CB 3.55Å; N631-A635 VanDerWaalsContact O-CB 3.31Å; N631-A635 WeakPolarHBondContact O-CB 3.27Å; N631-A635 PolarHBondContact O-N 3.25Å; F632-A635 WeakPolarHBondContact O-CB 3.42Å; F632-A635 PolarHBondContact O-N 2.98Å; F632-A635 VanDerWaalsContact O-N 3.12Å; A635-R637 PolarHBondContact O-N 3.49Å; A635-R638 PolarHBondContact O-N 2.92Å; A635-R638 VanDerWaalsContact O-N 3.17Å; A635-I639 WeakPolarHBondContact O-CB 3.41Å; A635-I639 WeakPolarHBondContact O-CD1 3.23Å; A635-I639 VanDerWaalsContact O-CG1 3.25Å; A635-I639 WeakPolarHBondContact O-CG1 3.26Å; A635-I639 PolarHBondContact O-N 3.07Å
636	C	92.3	Very high	89.5	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.8	-45.1	175.1	-64.7	0	0	0	0	112.2	F632 L633 R638 I639 G640 V641 L646 L668	F632-C636 VanDerWaalsContact CE2-SG 3.56Å; F632-C636 VanDerWaalsContact CZ-SG 3.58Å; F632-C636 PolarHBondContact O-N 3.44Å; F632-C636 PolarHBondContact O-SG 2.72Å; L633-C636 WeakPolarHBondContact O-CB 3.46Å; L633-C636 PolarHBondContact O-N 3.49Å; C636-R638 PolarHBondContact O-N 3.16Å; C636-I639 PolarHBondContact O-N 2.91Å; C636-G640 PolarHBondContact O-N 2.72Å; C636-G640 VanDerWaalsContact O-N 3.1Å; C636-V641 HydrophobicContact CB-CB 4.09Å; C636-V641 HydrophobicContact CB-CG2 3.94Å; C636-V641 WeakPolarHBondContact O-CB 3.31Å; C636-V641 WeakPolarHBondContact O-CG2 3.32Å; C636-V641 PolarHBondContact O-N 2.96Å; C636-L646 HydrophobicContact CB-CD2 3.69Å; C636-L668 HydrophobicContact CB-CD1 4.42Å
637	R	92.5	Very high	89.8	Confident	118 Å²	118	53.2 Å²	53.2	45%	0.445	26%	0.261	S	S	.	.	H	α-helix	trans	-56.5	-47.7	173.2	-68.7	175.8	-165.7	128.4	5.7	111.9	L633 E634 A635 I639 G640 L646	L633-R637 PolarHBondContact O-N 3.18Å; L633-R637 VanDerWaalsContact O-N 3.12Å; E634-R637 PolarHBondContact O-N 2.79Å; E634-R637 WeakPolarHBondContact OE2-CD 3.23Å; E634-R637 IonicContact OE2-CZ 3.8Å; E634-R637 IonicContact OE2-NH1 3.6Å; E634-R637 PolarHBondContact OE2-NH1 3.48Å; A635-R637 PolarHBondContact O-N 3.49Å; R637-I639 VanDerWaalsContact C-N 3.29Å; R637-I639 PolarHBondContact O-N 3.04Å; R637-G640 PolarHBondContact O-N 3.16Å; R637-G640 VanDerWaalsContact O-N 3.07Å; R637-L646 HydrophobicContact CG-CD1 3.54Å
638	R	88.9	Confident	90	Very high	144 Å²	144	52.5 Å²	52.5	54%	0.543	27%	0.265	S	S	.	.	H	α-helix	trans	-69.3	-23.7	-179.3	-65.9	168.8	-170.2	-178	2.8	113.8	R603 E634 A635 C636	R603-R638 PolarHBondContact NH1-O 2.99Å; E634-R638 VanDerWaalsContact O-CG 3.31Å; E634-R638 WeakPolarHBondContact O-CG 3.48Å; E634-R638 PolarHBondContact O-N 3.49Å; E634-R638 IonicContact OE1-CZ 3.71Å; E634-R638 IonicContact OE1-NE 2.72Å; E634-R638 PolarHBondContact OE1-NE 2.79Å; E634-R638 IonicContact OE1-NH2 3.13Å; E634-R638 PolarHBondContact OE1-NH2 3.26Å; A635-R638 PolarHBondContact O-N 2.92Å; A635-R638 VanDerWaalsContact O-N 3.17Å; C636-R638 PolarHBondContact O-N 3.16Å
639	I	88.7	Confident	89.7	Confident	20 Å²	20	54.7 Å²	54.7	10%	0.103	28%	0.28	C	S	.	.	H	α-helix	trans	-78.3	-24.6	172.2	-68.5	164.4	0	0	0	111	A599 V602 R603 A635 C636 R637 L668 L671	A599-I639 HydrophobicContact CB-CD1 4.36Å; V602-I639 HydrophobicContact CG1-CD1 4.37Å; V602-I639 HydrophobicContact CG1-CG2 4.07Å; R603-I639 HydrophobicContact CB-CD1 4.06Å; R603-I639 HydrophobicContact CB-CG1 3.96Å; A635-I639 WeakPolarHBondContact O-CB 3.41Å; A635-I639 WeakPolarHBondContact O-CD1 3.23Å; A635-I639 VanDerWaalsContact O-CG1 3.25Å; A635-I639 WeakPolarHBondContact O-CG1 3.26Å; A635-I639 PolarHBondContact O-N 3.07Å; C636-I639 PolarHBondContact O-N 2.91Å; R637-I639 VanDerWaalsContact C-N 3.29Å; R637-I639 PolarHBondContact O-N 3.04Å; I639-L668 HydrophobicContact CB-CD1 4.11Å; I639-L668 HydrophobicContact CD1-CD1 3.67Å; I639-L668 HydrophobicContact CG1-CD1 4.49Å; I639-L668 HydrophobicContact CG2-CD1 3.86Å; I639-L671 HydrophobicContact CG2-CB 4.2Å; I639-L671 HydrophobicContact CG2-CD1 4.38Å
640	G	88.4	Confident	89.4	Confident	44 Å²	44	59 Å²	59	45%	0.454	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	114.7	12.2	174.8	0	0	0	0	0	114.5	C636 R637 L671	C636-G640 PolarHBondContact O-N 2.72Å; C636-G640 VanDerWaalsContact O-N 3.1Å; R637-G640 PolarHBondContact O-N 3.16Å; R637-G640 VanDerWaalsContact O-N 3.07Å; G640-L671 VanDerWaalsContact C-CD1 3.41Å
641	V	91.3	Very high	89.3	Confident	7 Å²	7	56.7 Å²	56.7	4%	0.042	29%	0.291	C	S	.	.			trans	-63.2	123.3	178	179.4	0	0	0	0	109.2	C636 K645 L646 A667 L668 L671	C636-V641 HydrophobicContact CB-CB 4.09Å; C636-V641 HydrophobicContact CB-CG2 3.94Å; C636-V641 WeakPolarHBondContact O-CB 3.31Å; C636-V641 WeakPolarHBondContact O-CG2 3.32Å; C636-V641 PolarHBondContact O-N 2.96Å; V641-K645 HydrophobicContact CG1-CB 4.46Å; V641-L646 HydrophobicContact CB-CD2 3.96Å; V641-L646 HydrophobicContact CG1-CD2 3.56Å; V641-L646 HydrophobicContact CG1-CG 4.14Å; V641-A667 HydrophobicContact CG1-CB 3.86Å; V641-L668 HydrophobicContact CG2-CB 3.98Å; V641-L668 HydrophobicContact CG2-CD1 3.85Å; V641-L671 HydrophobicContact CG2-CD1 4.02Å
642	P	86.1	Confident	89.1	Confident	60 Å²	60	54.8 Å²	54.8	39%	0.39	28%	0.281	S	S	.	.			trans	-66.8	142.1	-175.4	26.5	-34.5	0	0	0	111.2	T644 K645	P642-T644 PolarHBondContact O-N 2.9Å; P642-K645 HydrophobicContact CG-CB 4.21Å; P642-K645 HydrophobicContact CG-CD 4.15Å; P642-K645 HydrophobicContact CG-CG 4.05Å; P642-K645 PolarHBondContact O-N 3.45Å
643	Q	87.1	Confident	88.7	Confident	134 Å²	134	56.2 Å²	56.2	63%	0.626	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-54.7	-29.9	-175.2	-172.9	69.7	22.6	0	0	113.4	K645 L646	Q643-K645 VanDerWaalsContact C-N 3.28Å; Q643-K645 PolarHBondContact O-N 3.05Å; Q643-L646 PolarHBondContact O-N 3.21Å
644	T	87.1	Confident	88.2	Confident	136 Å²	136	61.1 Å²	61.1	83%	0.834	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-72.1	-13.1	176.5	50.5	0	0	0	0	114.8	P642	P642-T644 PolarHBondContact O-N 2.9Å
645	K	88.1	Confident	87.6	Confident	104 Å²	104	62.5 Å²	62.5	45%	0.452	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-109.3	3.9	174.8	-63.4	-166.9	-179.3	-173.9	0	113.3	V641 P642 Q643 T664 A667	V641-K645 HydrophobicContact CG1-CB 4.46Å; P642-K645 HydrophobicContact CG-CB 4.21Å; P642-K645 HydrophobicContact CG-CD 4.15Å; P642-K645 HydrophobicContact CG-CG 4.05Å; P642-K645 PolarHBondContact O-N 3.45Å; Q643-K645 VanDerWaalsContact C-N 3.28Å; Q643-K645 PolarHBondContact O-N 3.05Å; K645-T664 VanDerWaalsContact O-CA 3.24Å; K645-T664 WeakPolarHBondContact O-CA 3.41Å; K645-T664 WeakPolarHBondContact O-CB 3.34Å; K645-T664 PolarHBondContact O-N 3.1Å; K645-T664 PolarHBondContact O-OG1 3.01Å; K645-A667 HydrophobicContact CB-CB 4.03Å; K645-A667 HydrophobicContact CD-CB 3.57Å; K645-A667 HydrophobicContact CG-CB 4.48Å
646	L	89.6	Confident	86.8	Confident	26 Å²	26	73.2 Å²	73.2	14%	0.136	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-85	128.2	176.5	-68.7	177	0	0	0	111.2	C636 R637 V641 Q643 T664	C636-L646 HydrophobicContact CB-CD2 3.69Å; R637-L646 HydrophobicContact CG-CD1 3.54Å; V641-L646 HydrophobicContact CB-CD2 3.96Å; V641-L646 HydrophobicContact CG1-CD2 3.56Å; V641-L646 HydrophobicContact CG1-CG 4.14Å; Q643-L646 PolarHBondContact O-N 3.21Å; L646-T664 WeakPolarHBondContact CA-OG1 3.41Å; L646-T664 HydrophobicContact CD2-CG2 4Å
647	C	90.3	Very high	86.3	Confident	7 Å²	7	73.4 Å²	73.4	5%	0.047	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-72.8	158.1	168.9	53.6	0	0	0	0	111.6	L633 H651 Q660 V661 T664	L633-C647 WeakPolarHBondContact CD2-O 3.39Å; C647-H651 HydrophobicContact CB-CB 4.12Å; C647-Q660 HydrophobicContact CB-CB 4.09Å; C647-V661 HydrophobicContact CB-CG2 4.36Å; C647-T664 PolarHBondContact N-OG1 3.43Å; C647-T664 PolarHBondContact SG-OG1 3.28Å
648	L	87.6	Confident	86	Confident	99 Å²	99	68.8 Å²	68.8	52%	0.518	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-83.4	154.2	173.5	-57.9	179	0	0	0	109.7	L650 H651	L648-L650 PolarHBondContact O-N 3.23Å; L648-H651 PolarHBondContact N-ND1 3.06Å; L648-H651 VanDerWaalsContact O-CB 3.29Å; L648-H651 WeakPolarHBondContact O-CB 3.44Å; L648-H651 PolarHBondContact O-N 3.14Å
649	P	85.4	Confident	85.9	Confident	47 Å²	47	63.2 Å²	63.2	31%	0.305	33%	0.327	S	S	.	.	H	α-helix	trans	-52.8	-40.5	177.1	-26.5	33.8	0	0	0	113.1	V629 L633 H651 I652 L653	V629-P649 HydrophobicContact CG1-CB 3.93Å; L633-P649 HydrophobicContact CD1-CB 4.46Å; L633-P649 HydrophobicContact CD1-CG 3.85Å; P649-H651 PolarHBondContact O-N 2.89Å; P649-I652 PolarHBondContact O-N 3.48Å; P649-L653 HydrophobicContact CB-CD1 3.89Å; P649-L653 VanDerWaalsContact O-CD1 3.31Å; P649-L653 WeakPolarHBondContact O-CD1 3.42Å; P649-L653 VanDerWaalsContact O-CG 3.25Å; P649-L653 WeakPolarHBondContact O-CG 3.39Å; P649-L653 PolarHBondContact O-N 2.9Å
650	L	84.3	Confident	85.8	Confident	89 Å²	89	66.7 Å²	66.7	47%	0.466	34%	0.343	S	S	.	.	H	α-helix	trans	-55.4	-35.6	177.8	-57.4	175.6	0	0	0	112.6	L648 I652 L653 E654	L648-L650 PolarHBondContact O-N 3.23Å; L650-I652 PolarHBondContact O-N 3.12Å; L650-L653 PolarHBondContact O-N 3.23Å; L650-E654 HydrophobicContact CB-CG 4.4Å; L650-E654 WeakPolarHBondContact O-CB 3.26Å; L650-E654 WeakPolarHBondContact O-CG 3.35Å; L650-E654 PolarHBondContact O-N 3.32Å
651	H	87.4	Confident	85.8	Confident	48 Å²	48	64.6 Å²	64.6	22%	0.222	32%	0.321	C	S	.	.	H	α-helix	trans	-63.1	-26.6	-179.9	-61.4	178.5	0	0	0	113.1	C647 L648 P649 G657 Q660 V661	C647-H651 HydrophobicContact CB-CB 4.12Å; L648-H651 PolarHBondContact N-ND1 3.06Å; L648-H651 VanDerWaalsContact O-CB 3.29Å; L648-H651 WeakPolarHBondContact O-CB 3.44Å; L648-H651 PolarHBondContact O-N 3.14Å; P649-H651 PolarHBondContact O-N 2.89Å; H651-G657 CarbonylContact O-C 3.46Å; H651-G657 VanDerWaalsContact O-CA 3.26Å; H651-G657 WeakPolarHBondContact O-CA 3.32Å; H651-G657 PolarHBondContact O-N 2.96Å; H651-Q660 VanDerWaalsContact ND1-CB 3.31Å; H651-Q660 WeakPolarHBondContact ND1-CB 3.33Å; H651-V661 HydrophobicContact CB-CG2 4.29Å
652	I	87.5	Confident	85.7	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.015	32%	0.323	C	S	.	.	H	α-helix	trans	-91.7	-39.3	176.5	-62.5	160.3	0	0	0	110.5	L589 T590 L595 V629 F632 P649 L650 V661	L589-I652 VanDerWaalsContact O-CG2 3.3Å; L589-I652 WeakPolarHBondContact O-CG2 3.33Å; T590-I652 WeakPolarHBondContact CG2-O 3.34Å; L595-I652 HydrophobicContact CD1-CD1 3.69Å; L595-I652 HydrophobicContact CD1-CG1 4.01Å; L595-I652 HydrophobicContact CD1-CG2 3.87Å; V629-I652 HydrophobicContact CG1-CB 4.22Å; V629-I652 HydrophobicContact CG1-CD1 3.69Å; V629-I652 HydrophobicContact CG2-CB 4.17Å; V629-I652 HydrophobicContact CG2-CD1 4.48Å; V629-I652 HydrophobicContact CG2-CG2 3.63Å; F632-I652 HydrophobicContact CD1-CD1 4.18Å; F632-I652 HydrophobicContact CE1-CD1 4.27Å; P649-I652 PolarHBondContact O-N 3.48Å; L650-I652 PolarHBondContact O-N 3.12Å; I652-V661 HydrophobicContact CB-CG2 4.49Å; I652-V661 HydrophobicContact CD1-CG2 4.35Å; I652-V661 HydrophobicContact CG1-CG1 4.38Å; I652-V661 HydrophobicContact CG1-CG2 3.4Å; I652-V661 VanDerWaalsContact CG1-CG2 3.4Å
653	L	85.3	Confident	85.7	Confident	30 Å²	30	63.6 Å²	63.6	16%	0.157	32%	0.322	C	S	.	.	H	α-helix	trans	-81.7	-28.1	-170.4	-64.7	160.3	0	0	0	114.4	C625 R626 V629 P649 L650	C625-L653 HydrophobicContact CB-CD2 4.2Å; R626-L653 HydrophobicContact CG-CD1 3.35Å; R626-L653 HydrophobicContact CG-CD2 3.78Å; R626-L653 HydrophobicContact CG-CG 4.21Å; V629-L653 HydrophobicContact CG2-CD2 4.03Å; V629-L653 HydrophobicContact CG2-CG 4.34Å; P649-L653 HydrophobicContact CB-CD1 3.89Å; P649-L653 VanDerWaalsContact O-CD1 3.31Å; P649-L653 WeakPolarHBondContact O-CD1 3.42Å; P649-L653 VanDerWaalsContact O-CG 3.25Å; P649-L653 WeakPolarHBondContact O-CG 3.39Å; P649-L653 PolarHBondContact O-N 2.9Å; L650-L653 PolarHBondContact O-N 3.23Å
654	E	81.9	Confident	85.9	Confident	108 Å²	108	57.2 Å²	57.2	51%	0.505	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	7.8	-178.2	-58.7	-178.9	165.3	0	0	112.8	L650 R656	L650-E654 HydrophobicContact CB-CG 4.4Å; L650-E654 WeakPolarHBondContact O-CB 3.26Å; L650-E654 WeakPolarHBondContact O-CG 3.35Å; L650-E654 PolarHBondContact O-N 3.32Å; E654-R656 WeakPolarHBondContact O-CD 3.26Å; E654-R656 VanDerWaalsContact O-CG 3.27Å; E654-R656 WeakPolarHBondContact O-CG 3.15Å; E654-R656 PolarHBondContact O-N 3.5Å
655	E	79.3	Confident	86.1	Confident	89 Å²	89	50.7 Å²	50.7	42%	0.416	25%	0.252	S	S	.	.	S	Bend	trans	61.6	-8.4	179.8	-62.5	172.5	166.2	0	0	115.6	A587 T590	A587-E655 VanDerWaalsContact CA-OE1 3.26Å; A587-E655 WeakPolarHBondContact CA-OE1 3.42Å; A587-E655 PolarHBondContact N-OE1 3.15Å; T590-E655 HydrophobicContact CG2-CG 3.28Å; T590-E655 WeakPolarHBondContact CG2-OE1 3.4Å
656	R	73.9	Confident	86.1	Confident	224 Å²	224	48 Å²	48	85%	0.845	25%	0.247	S	C	*	.			trans	-93.4	-12.3	-170.8	-69.7	155.6	-170.9	-111.7	-3.1	115.5	E654	E654-R656 WeakPolarHBondContact O-CD 3.26Å; E654-R656 VanDerWaalsContact O-CG 3.27Å; E654-R656 WeakPolarHBondContact O-CG 3.15Å; E654-R656 PolarHBondContact O-N 3.5Å
657	G	81.9	Confident	86.1	Confident	4 Å²	4	47 Å²	47	4%	0.041	24%	0.242	C	C	.	.			trans	-103.8	24.7	-174.1	0	0	0	0	0	115.2	H651 P659 Q660 V661	H651-G657 CarbonylContact O-C 3.46Å; H651-G657 VanDerWaalsContact O-CA 3.26Å; H651-G657 WeakPolarHBondContact O-CA 3.32Å; H651-G657 PolarHBondContact O-N 2.96Å; G657-P659 VanDerWaalsContact C-CD 3.48Å; G657-Q660 VanDerWaalsContact CA-OE1 3.23Å; G657-Q660 PolarHBondContact O-N 3.29Å; G657-Q660 VanDerWaalsContact O-N 3.11Å; G657-Q660 PolarHBondContact O-OE1 3.37Å; G657-V661 WeakPolarHBondContact O-CG2 3.45Å; G657-V661 PolarHBondContact O-N 2.92Å; G657-V661 VanDerWaalsContact O-N 3.09Å
658	L	85.8	Confident	86.1	Confident	21 Å²	21	46.7 Å²	46.7	11%	0.11	24%	0.24	C	C	.	.	H	α-helix	trans	-57.2	-36.6	-175.8	-66.1	173.5	0	0	0	114.9	V566 L569 L589 Q660 V661 A662	V566-L658 HydrophobicContact CG1-CD1 4.14Å; V566-L658 HydrophobicContact CG2-CB 3.73Å; V566-L658 HydrophobicContact CG2-CD1 4.37Å; L569-L658 HydrophobicContact CD2-CD2 4.47Å; L589-L658 HydrophobicContact CD1-CD2 4.11Å; L658-Q660 VanDerWaalsContact C-N 3.32Å; L658-Q660 PolarHBondContact O-N 2.93Å; L658-V661 WeakPolarHBondContact O-CB 3.48Å; L658-V661 PolarHBondContact O-N 2.93Å; L658-A662 PolarHBondContact O-N 3.49Å
659	P	85.9	Confident	86.1	Confident	28 Å²	28	42.7 Å²	42.7	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-37.1	174.2	-24.9	35.7	0	0	0	113.2	D562 L565 G657 A662 G663	D562-P659 HydrophobicContact CB-CG 4.1Å; D562-P659 VanDerWaalsContact OD1-CG 3.23Å; D562-P659 WeakPolarHBondContact OD1-CG 3.24Å; L565-P659 HydrophobicContact CD1-CB 4.31Å; G657-P659 VanDerWaalsContact C-CD 3.48Å; P659-A662 WeakPolarHBondContact O-CB 3.36Å; P659-A662 PolarHBondContact O-N 3.02Å; P659-G663 PolarHBondContact O-N 2.91Å; P659-G663 VanDerWaalsContact O-N 3.12Å
660	Q	88.1	Confident	86.2	Confident	92 Å²	92	45.5 Å²	45.5	43%	0.43	23%	0.231	S	C	.	.	H	α-helix	trans	-71.5	-36.4	175.9	-61.5	80.5	3	0	0	111.2	C647 H651 G657 L658 A662 G663 T664	C647-Q660 HydrophobicContact CB-CB 4.09Å; H651-Q660 VanDerWaalsContact ND1-CB 3.31Å; H651-Q660 WeakPolarHBondContact ND1-CB 3.33Å; G657-Q660 VanDerWaalsContact CA-OE1 3.23Å; G657-Q660 PolarHBondContact O-N 3.29Å; G657-Q660 VanDerWaalsContact O-N 3.11Å; G657-Q660 PolarHBondContact O-OE1 3.37Å; L658-Q660 VanDerWaalsContact C-N 3.32Å; L658-Q660 PolarHBondContact O-N 2.93Å; Q660-A662 VanDerWaalsContact C-N 3.3Å; Q660-G663 PolarHBondContact O-N 2.96Å; Q660-T664 PolarHBondContact O-N 3.43Å; Q660-T664 VanDerWaalsContact O-N 3.17Å; Q660-T664 PolarHBondContact O-OG1 2.82Å
661	V	88.6	Confident	86.1	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-62.9	-38.6	170.9	-179	0	0	0	0	110.8	L569 L595 C647 H651 I652 G657 L658 G663 T664 V665	L569-V661 HydrophobicContact CD2-CB 4.17Å; L569-V661 HydrophobicContact CD2-CG1 3.97Å; L595-V661 HydrophobicContact CD1-CG1 4.47Å; L595-V661 HydrophobicContact CD2-CG1 4.44Å; C647-V661 HydrophobicContact CB-CG2 4.36Å; H651-V661 HydrophobicContact CB-CG2 4.29Å; I652-V661 HydrophobicContact CB-CG2 4.49Å; I652-V661 HydrophobicContact CD1-CG2 4.35Å; I652-V661 HydrophobicContact CG1-CG1 4.38Å; I652-V661 HydrophobicContact CG1-CG2 3.4Å; I652-V661 VanDerWaalsContact CG1-CG2 3.4Å; G657-V661 WeakPolarHBondContact O-CG2 3.45Å; G657-V661 PolarHBondContact O-N 2.92Å; G657-V661 VanDerWaalsContact O-N 3.09Å; L658-V661 WeakPolarHBondContact O-CB 3.48Å; L658-V661 PolarHBondContact O-N 2.93Å; V661-G663 PolarHBondContact O-N 3.43Å; V661-T664 PolarHBondContact O-N 3.1Å; V661-V665 HydrophobicContact CG1-CG2 4.25Å; V661-V665 WeakPolarHBondContact O-CB 3.38Å; V661-V665 WeakPolarHBondContact O-CG2 3.47Å; V661-V665 PolarHBondContact O-N 2.77Å
662	A	87.7	Confident	85.6	Confident	10 Å²	10	43.7 Å²	43.7	8%	0.083	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-44.2	175.3	0	0	0	0	0	112	L569 L658 P659 Q660 T664 V665 S666	L569-A662 HydrophobicContact CB-CB 3.88Å; L569-A662 HydrophobicContact CD2-CB 4.17Å; L569-A662 HydrophobicContact CG-CB 4.43Å; L658-A662 PolarHBondContact O-N 3.49Å; P659-A662 WeakPolarHBondContact O-CB 3.36Å; P659-A662 PolarHBondContact O-N 3.02Å; Q660-A662 VanDerWaalsContact C-N 3.3Å; A662-T664 PolarHBondContact O-N 3.38Å; A662-V665 PolarHBondContact O-N 2.75Å; A662-S666 WeakPolarHBondContact O-CB 3.46Å; A662-S666 PolarHBondContact O-N 3.25Å
663	G	87.7	Confident	84.7	Confident	35 Å²	35	47.9 Å²	47.9	36%	0.361	25%	0.253	S	S	.	.	H	α-helix	trans	-59.3	-42.9	173.7	0	0	0	0	0	113.5	P659 Q660 V661 A667	P659-G663 PolarHBondContact O-N 2.91Å; P659-G663 VanDerWaalsContact O-N 3.12Å; Q660-G663 PolarHBondContact O-N 2.96Å; V661-G663 PolarHBondContact O-N 3.43Å; G663-A667 WeakPolarHBondContact O-CB 3.36Å; G663-A667 PolarHBondContact O-N 3.27Å; G663-A667 VanDerWaalsContact O-N 3.14Å
664	T	90.3	Very high	83.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.9	-46.2	175.5	-59.3	0	0	0	0	112.5	F632 K645 L646 C647 Q660 V661 A662 A667 L668	F632-T664 HydrophobicContact CE1-CG2 4.41Å; F632-T664 HydrophobicContact CZ-CG2 4.43Å; K645-T664 VanDerWaalsContact O-CA 3.24Å; K645-T664 WeakPolarHBondContact O-CA 3.41Å; K645-T664 WeakPolarHBondContact O-CB 3.34Å; K645-T664 PolarHBondContact O-N 3.1Å; K645-T664 PolarHBondContact O-OG1 3.01Å; L646-T664 WeakPolarHBondContact CA-OG1 3.41Å; L646-T664 HydrophobicContact CD2-CG2 4Å; C647-T664 PolarHBondContact N-OG1 3.43Å; C647-T664 PolarHBondContact SG-OG1 3.28Å; Q660-T664 PolarHBondContact O-N 3.43Å; Q660-T664 VanDerWaalsContact O-N 3.17Å; Q660-T664 PolarHBondContact O-OG1 2.82Å; V661-T664 PolarHBondContact O-N 3.1Å; A662-T664 PolarHBondContact O-N 3.38Å; T664-A667 PolarHBondContact O-N 3.06Å; T664-L668 WeakPolarHBondContact O-CB 3.47Å; T664-L668 PolarHBondContact O-N 3.48Å
665	V	90.6	Very high	81.7	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-38.8	-179.1	166.4	0	0	0	0	111.1	L569 I573 L595 L598 F632 V661 A662 L668 L669	L569-V665 HydrophobicContact CD1-CB 3.65Å; L569-V665 HydrophobicContact CD1-CG1 3.7Å; L569-V665 HydrophobicContact CD1-CG2 3.81Å; I573-V665 HydrophobicContact CG1-CG1 4.3Å; L595-V665 HydrophobicContact CD2-CG2 4.07Å; L598-V665 HydrophobicContact CD2-CG1 3.74Å; L598-V665 HydrophobicContact CD2-CG2 4.11Å; F632-V665 HydrophobicContact CZ-CG2 4.28Å; V661-V665 HydrophobicContact CG1-CG2 4.25Å; V661-V665 WeakPolarHBondContact O-CB 3.38Å; V661-V665 WeakPolarHBondContact O-CG2 3.47Å; V661-V665 PolarHBondContact O-N 2.77Å; A662-V665 PolarHBondContact O-N 2.75Å; V665-L668 PolarHBondContact O-N 3.39Å; V665-L669 HydrophobicContact CG1-CD1 3.91Å; V665-L669 HydrophobicContact CG1-CG 4.3Å; V665-L669 WeakPolarHBondContact O-CB 3.44Å; V665-L669 VanDerWaalsContact O-CG 3.24Å; V665-L669 WeakPolarHBondContact O-CG 3.2Å; V665-L669 PolarHBondContact O-N 3.45Å
666	S	89.4	Confident	79.8	Confident	48 Å²	48	58.9 Å²	58.9	34%	0.336	31%	0.312	S	S	.	.	H	α-helix	trans	-59.3	-52	172.4	-163.2	0	0	0	0	110.8	A662 L668 L669 D670	A662-S666 WeakPolarHBondContact O-CB 3.46Å; A662-S666 PolarHBondContact O-N 3.25Å; S666-L668 PolarHBondContact O-N 2.98Å; S666-L669 CarbonylContact O-C 3.21Å; S666-L669 PolarHBondContact O-N 2.72Å; S666-D670 PolarHBondContact O-N 2.99Å
667	A	88.8	Confident	78	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.033	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-29.9	179.8	0	0	0	0	0	113.9	V641 K645 G663 T664 D670 L671	V641-A667 HydrophobicContact CG1-CB 3.86Å; K645-A667 HydrophobicContact CB-CB 4.03Å; K645-A667 HydrophobicContact CD-CB 3.57Å; K645-A667 HydrophobicContact CG-CB 4.48Å; G663-A667 WeakPolarHBondContact O-CB 3.36Å; G663-A667 PolarHBondContact O-N 3.27Å; G663-A667 VanDerWaalsContact O-N 3.14Å; T664-A667 PolarHBondContact O-N 3.06Å; A667-D670 WeakPolarHBondContact CA-OD2 3.31Å; A667-L671 WeakPolarHBondContact O-CG 3.44Å
668	L	90	Very high	76	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-71.8	-37.9	173	-177.5	67.1	0	0	0	112.1	A599 V602 F632 C636 I639 V641 T664 V665 S666 L671	A599-L668 HydrophobicContact CB-CD2 4.36Å; V602-L668 HydrophobicContact CG1-CD1 4.26Å; V602-L668 HydrophobicContact CG1-CG 4.41Å; V602-L668 HydrophobicContact CG2-CG 4.23Å; F632-L668 HydrophobicContact CE2-CD2 3.75Å; F632-L668 HydrophobicContact CZ-CD2 4.22Å; C636-L668 HydrophobicContact CB-CD1 4.42Å; I639-L668 HydrophobicContact CB-CD1 4.11Å; I639-L668 HydrophobicContact CD1-CD1 3.67Å; I639-L668 HydrophobicContact CG1-CD1 4.49Å; I639-L668 HydrophobicContact CG2-CD1 3.86Å; V641-L668 HydrophobicContact CG2-CB 3.98Å; V641-L668 HydrophobicContact CG2-CD1 3.85Å; T664-L668 WeakPolarHBondContact O-CB 3.47Å; T664-L668 PolarHBondContact O-N 3.48Å; V665-L668 PolarHBondContact O-N 3.39Å; S666-L668 PolarHBondContact O-N 2.98Å; L668-L671 PolarHBondContact O-N 3.3Å
669	L	87.9	Confident	73.5	Confident	15 Å²	15	63.8 Å²	63.8	8%	0.079	38%	0.375	C	S	.	.	H	α-helix	trans	-80	-25.7	179.8	-68	180	0	0	0	113.5	N572 R576 L598 V602 V665 S666 L671 A672	N572-L669 HydrophobicContact CB-CD1 3.83Å; R576-L669 HydrophobicContact CB-CD2 4.44Å; R576-L669 HydrophobicContact CG-CD1 4.06Å; R576-L669 HydrophobicContact CG-CD2 3.71Å; R576-L669 PolarHBondContact NH2-O 2.98Å; L598-L669 HydrophobicContact CD1-CD2 4.33Å; V602-L669 HydrophobicContact CG2-CD2 3.63Å; V665-L669 HydrophobicContact CG1-CD1 3.91Å; V665-L669 HydrophobicContact CG1-CG 4.3Å; V665-L669 WeakPolarHBondContact O-CB 3.44Å; V665-L669 VanDerWaalsContact O-CG 3.24Å; V665-L669 WeakPolarHBondContact O-CG 3.2Å; V665-L669 PolarHBondContact O-N 3.45Å; S666-L669 CarbonylContact O-C 3.21Å; S666-L669 PolarHBondContact O-N 2.72Å; L669-L671 PolarHBondContact O-N 2.66Å; L669-A672 VanDerWaalsContact O-CB 3.29Å; L669-A672 WeakPolarHBondContact O-CB 3.46Å; L669-A672 PolarHBondContact O-N 2.81Å
670	D	87.1	Confident	71.2	Confident	107 Å²	107	68.2 Å²	68.2	57%	0.572	40%	0.402	S	S	*	.	H	α-helix	trans	-62.6	-31	169.4	-62.1	-25.9	0	0	0	111.3	S666 A667	S666-D670 PolarHBondContact O-N 2.99Å; A667-D670 WeakPolarHBondContact CA-OD2 3.31Å
671	L	83.1	Confident	68.8	Low	86 Å²	86	69.7 Å²	69.7	45%	0.45	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	0.7	177.3	-64.5	173.3	0	0	0	113.6	I639 G640 V641 A667 L668 L669	I639-L671 HydrophobicContact CG2-CB 4.2Å; I639-L671 HydrophobicContact CG2-CD1 4.38Å; G640-L671 VanDerWaalsContact C-CD1 3.41Å; V641-L671 HydrophobicContact CG2-CD1 4.02Å; A667-L671 WeakPolarHBondContact O-CG 3.44Å; L668-L671 PolarHBondContact O-N 3.3Å; L669-L671 PolarHBondContact O-N 2.66Å
672	A	77.3	Confident	66.2	Low	13 Å²	13	75.7 Å²	75.7	11%	0.107	45%	0.454	C	S	.	.	S	Bend	trans	-77.1	144.8	177.3	0	0	0	0	0	111.1	V602 L669	V602-A672 HydrophobicContact CB-CB 4.45Å; V602-A672 HydrophobicContact CG1-CB 3.97Å; V602-A672 HydrophobicContact CG2-CB 4.1Å; L669-A672 VanDerWaalsContact O-CB 3.29Å; L669-A672 WeakPolarHBondContact O-CB 3.46Å; L669-A672 PolarHBondContact O-N 2.81Å
673	P	68.8	Low	63.7	Low	91 Å²	91	79.6 Å²	79.6	59%	0.591	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-57.7	144	176.6	24.4	-33.9	0	0	0	111.3	K675	P673-K675 PolarHBondContact O-N 3.24Å
674	P	54.7	Low	61.4	Low	123 Å²	123	86.5 Å²	86.5	80%	0.799	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-61.4	138.7	-178.2	24.8	-33.7	0	0	0	110.8	Q676	P674-Q676 PolarHBondContact O-N 2.59Å
675	K	48.8	Very low	59.2	Low	142 Å²	142	91.7 Å²	91.7	62%	0.617	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-61.1	127.9	171.1	-69.2	-177.8	175.6	-178.4	0	107.8	A575 P673 S677	A575-K675 PolarHBondContact O-NZ 2.77Å; P673-K675 PolarHBondContact O-N 3.24Å; K675-S677 VanDerWaalsContact C-N 3.33Å; K675-S677 PolarHBondContact O-N 3.41Å
676	Q	40.3	Very low	57.2	Low	193 Å²	193	97.8 Å²	97.8	90%	0.902	59%	0.585	S	S	*	*			trans	-67.7	92.3	171.4	-75.1	-178.3	-38.9	0	0	109.3	P674 V678	P674-Q676 PolarHBondContact O-N 2.59Å; Q676-V678 PolarHBondContact O-N 3.36Å
677	S	35.8	Very low	55	Low	105 Å²	105	98.6 Å²	98.6	73%	0.734	60%	0.601	S	S	*	*			trans	-74	118.5	169.9	51.8	0	0	0	0	109.4	K675 S679	K675-S677 VanDerWaalsContact C-N 3.33Å; K675-S677 PolarHBondContact O-N 3.41Å; S677-S679 PolarHBondContact O-N 3.14Å; S677-S679 VanDerWaalsContact O-N 3.08Å
678	V	40.1	Very low	53.2	Low	139 Å²	139	104.5 Å²	104.5	84%	0.842	64%	0.639	S	S	*	*			trans	-67.4	105.9	169.6	178.9	0	0	0	0	108.2	Q676 T680	Q676-V678 PolarHBondContact O-N 3.36Å; V678-T680 PolarHBondContact O-N 3.4Å
679	S	33.4	Very low	51.1	Low	108 Å²	108	109.9 Å²	109.9	76%	0.755	68%	0.677	S	S	*	*			trans	-82	110.6	177	53.7	0	0	0	0	110.5	S677	S677-S679 PolarHBondContact O-N 3.14Å; S677-S679 VanDerWaalsContact O-N 3.08Å
680	T	37.6	Very low	49	Very low	120 Å²	120	116.1 Å²	116.1	74%	0.736	72%	0.715	S	S	*	*			trans	-77.5	159.1	168.3	34.5	0	0	0	0	111.8	V678	V678-T680 PolarHBondContact O-N 3.4Å
681	T	36.1	Very low	47.2	Very low	124 Å²	124	116.9 Å²	116.9	76%	0.761	72%	0.723	S	S	*	*			trans	70.8	141.9	174	6.8	0	0	0	0	114.3
682	T	35.8	Very low	45.5	Very low	126 Å²	126	123.9 Å²	123.9	77%	0.773	76%	0.759	S	S	*	*			cis	-151.9	165.7	13.2	-41.6	0	0	0	0	112
683	A	34.9	Very low	44	Very low	93 Å²	93	129.5 Å²	129.5	77%	0.769	79%	0.791	S	S	*	*			trans	79.1	127.6	153.6	0	0	0	0	0	120.2
684	M	39.3	Very low	42.7	Very low	179 Å²	179	131.5 Å²	131.5	88%	0.882	80%	0.802	S	S	*	*			trans	-104.2	142.5	159.7	-66.1	-178.3	70.1	0	0	110
685	P	42.9	Very low	42	Very low	109 Å²	109	131.9 Å²	131.9	71%	0.708	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-84.9	156.1	153.2	35	-31.1	0	0	0	110.9
686	P	48.8	Very low	41.6	Very low	129 Å²	129	131.4 Å²	131.4	84%	0.838	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-74.8	148.5	177.4	31.4	-35	0	0	0	112.3
687	G	44.4	Very low	41.7	Very low	65 Å²	65	127.5 Å²	127.5	67%	0.67	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-81.3	156.8	172.2	0	0	0	0	0	112.9
688	P	50.8	Low	42.1	Very low	127 Å²	127	129 Å²	129	83%	0.825	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-74.7	135.2	176.6	30.9	-34	0	0	0	111.7
689	S	44.5	Very low	42.2	Very low	114 Å²	114	128.3 Å²	128.3	80%	0.797	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-70.6	129.4	172	-54.8	0	0	0	0	111.1
690	V	44.5	Very low	42.9	Very low	145 Å²	145	129.8 Å²	129.8	88%	0.879	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-95	120.9	161.7	179.1	0	0	0	0	107.8
691	V	48.7	Very low	43.3	Very low	124 Å²	124	130.7 Å²	130.7	75%	0.752	82%	0.821	S	S	*	*			trans	-107.9	150.1	170.3	-177.5	0	0	0	0	107.6
692	I	49.2	Very low	44	Very low	233 Å²	233	131.3 Å²	131.3	100%	1.195	83%	0.826	S	S	*	*			trans	-81.2	0	176.4	-57.8	175.3	0	0	0	109.5

Retrieved 692 of 692 residues in 699.8 ms (Link to these results)

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