A0A087YGJ3_POEFO Loading...

Reticulocalbin 1

AlphaFold DB , UniProt , Accession A0A087YGJ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 325 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	37.3	Very low	33.3	Very low	242 Å²	242	143.8 Å²	143.8	100%	1.192	82%	0.818	S	S	*	*				0	97	0	-61.5	-175.9	-124.9	0	0	105.3
2	A	34.4	Very low	33	Very low	109 Å²	109	140 Å²	140	90%	0.901	81%	0.805	S	S	*	*				43.2	121.7	85.6	0	0	0	0	0	110.9
3	G	32.8	Very low	32.8	Very low	64 Å²	64	137.2 Å²	137.2	66%	0.66	81%	0.809	S	S	*	*			cis	156.9	159.5	8.7	0	0	0	0	0	107.2
4	F	34.9	Very low	32.7	Very low	215 Å²	215	136.6 Å²	136.6	94%	0.943	81%	0.807	S	S	*	*			trans	74.1	154.6	168.4	-72.3	-97.6	0	0	0	120
5	S	34.5	Very low	32.4	Very low	84 Å²	84	138.5 Å²	138.5	59%	0.587	81%	0.811	S	S	*	*			cis	173	154.3	-37.7	-158.1	0	0	0	0	107.1
6	F	34.1	Very low	32.1	Very low	188 Å²	188	141.2 Å²	141.2	83%	0.825	82%	0.819	S	S	*	*			trans	70.6	150	165.5	-78.6	-100.1	0	0	0	119.4
7	S	32.8	Very low	31.8	Very low	89 Å²	89	136.5 Å²	136.5	62%	0.622	81%	0.809	S	S	*	*			cis	176.8	144.7	-27.8	-88.7	0	0	0	0	107
8	F	32.3	Very low	31.5	Very low	187 Å²	187	134.2 Å²	134.2	82%	0.82	81%	0.807	S	S	*	*			trans	50.7	118.5	151	-97	-101.8	0	0	0	121.7
9	S	29	Very low	31.2	Very low	123 Å²	123	137.3 Å²	137.3	86%	0.86	81%	0.809	S	S	*	*				-158.6	133.6	112.4	-86.6	0	0	0	0	112.4
10	L	33.1	Very low	30.9	Very low	138 Å²	138	138.9 Å²	138.9	72%	0.723	81%	0.813	S	S	*	*			trans	-76	127.5	-179.6	-175.3	91.9	0	0	0	109.9
11	V	31.7	Very low	30.7	Very low	143 Å²	143	137.8 Å²	137.8	87%	0.867	81%	0.808	S	S	*	*			trans	-135.9	113.6	155.9	179.8	0	0	0	0	108	A13	V11-A13 PolarHBondContact O-N 3.06Å
12	C	29.1	Very low	30.1	Very low	98 Å²	98	131.1 Å²	131.1	66%	0.662	79%	0.785	S	S	*	*			trans	-58.6	122.5	177.5	-67.2	0	0	0	0	111.3	V14	C12-V14 PolarHBondContact O-N 2.8Å
13	A	29.9	Very low	29.7	Very low	103 Å²	103	131.6 Å²	131.6	85%	0.851	78%	0.777	S	S	*	*			trans	-79.7	101.7	163.5	0	0	0	0	0	108.5	V11	V11-A13 PolarHBondContact O-N 3.06Å
14	V	31.5	Very low	29.3	Very low	129 Å²	129	137.1 Å²	137.1	78%	0.782	78%	0.783	S	S	*	*			trans	-94.9	117.6	166.5	177.5	0	0	0	0	107.7	C12 L16	C12-V14 PolarHBondContact O-N 2.8Å; V14-L16 PolarHBondContact O-N 2.77Å
15	L	28.9	Very low	29.1	Very low	166 Å²	166	131.2 Å²	131.2	87%	0.869	77%	0.766	S	S	*	*			trans	-62.8	115.6	175.9	-70.7	157.7	0	0	0	109.8	G17	L15-G17 PolarHBondContact O-N 3.46Å; L15-G17 VanDerWaalsContact O-N 3.13Å
16	L	27.8	Very low	28.7	Very low	181 Å²	181	133.7 Å²	133.7	95%	0.948	77%	0.77	S	S	*	*			trans	-72.3	95	164.3	-85.6	158	0	0	0	108.6	V14	V14-L16 PolarHBondContact O-N 2.77Å
17	G	26.4	Very low	28.3	Very low	62 Å²	62	131.8 Å²	131.8	64%	0.639	77%	0.767	S	S	*	*			trans	-81.8	105.8	161.2	0	0	0	0	0	109	L15 F19	L15-G17 PolarHBondContact O-N 3.46Å; L15-G17 VanDerWaalsContact O-N 3.13Å; G17-F19 PolarHBondContact O-N 3.28Å
18	A	27.4	Very low	28.4	Very low	94 Å²	94	136.5 Å²	136.5	78%	0.777	77%	0.772	S	S	*	*			trans	-72	101.6	170.2	0	0	0	0	0	109.3
19	F	25.7	Very low	28.2	Very low	194 Å²	194	135.8 Å²	135.8	85%	0.851	77%	0.768	S	S	*	*			trans	-87.2	99	157.9	-86.3	-84.5	0	0	0	107.5	G17 V21	G17-F19 PolarHBondContact O-N 3.28Å; F19-V21 PolarHBondContact O-N 2.96Å; F19-V21 VanDerWaalsContact O-N 3.11Å
20	L	25.1	Very low	28.1	Very low	168 Å²	168	137.3 Å²	137.3	88%	0.88	76%	0.762	S	S	*	*			trans	-69.9	96.4	163	-77.1	162.2	0	0	0	107.3	S22	L20-S22 PolarHBondContact O-N 2.81Å
21	V	26.6	Very low	28.3	Very low	116 Å²	116	141.9 Å²	141.9	70%	0.703	77%	0.77	S	S	*	*			trans	-77.5	100.4	161.6	-178.8	0	0	0	0	105.9	F19 T23	F19-V21 PolarHBondContact O-N 2.96Å; F19-V21 VanDerWaalsContact O-N 3.11Å; V21-T23 VanDerWaalsContact C-N 3.32Å; V21-T23 HydrophobicContact CG1-CG2 3.96Å; V21-T23 PolarHBondContact O-N 3.29Å; V21-T23 VanDerWaalsContact O-N 3.12Å
22	S	25.2	Very low	28.4	Very low	103 Å²	103	139.1 Å²	139.1	72%	0.72	75%	0.753	S	S	*	*			trans	-75.8	90.2	167.3	-178.3	0	0	0	0	107.5	L20 K24	L20-S22 PolarHBondContact O-N 2.81Å; S22-K24 PolarHBondContact O-N 3.48Å
23	T	25.7	Very low	28.5	Very low	118 Å²	118	139.4 Å²	139.4	72%	0.724	75%	0.747	S	S	*	*			trans	-71.6	101.5	161.8	49.4	0	0	0	0	106.7	V21	V21-T23 VanDerWaalsContact C-N 3.32Å; V21-T23 HydrophobicContact CG1-CG2 3.96Å; V21-T23 PolarHBondContact O-N 3.29Å; V21-T23 VanDerWaalsContact O-N 3.12Å
24	K	23.9	Very low	28.6	Very low	180 Å²	180	145.3 Å²	145.3	78%	0.783	75%	0.747	S	S	*	*			trans	-63.2	132.4	168.5	-72.3	-177.8	177.9	179	0	107.8	S22 M26	S22-K24 PolarHBondContact O-N 3.48Å; K24-M26 PolarHBondContact O-N 2.86Å
25	P	29.5	Very low	28.5	Very low	92 Å²	92	144.2 Å²	144.2	60%	0.597	74%	0.737	S	S	*	*			trans	-65.6	125.5	172.9	26	-30.3	0	0	0	108.7	L27	P25-L27 PolarHBondContact O-N 2.93Å
26	M	26.4	Very low	28.5	Very low	135 Å²	135	142.2 Å²	142.2	67%	0.665	73%	0.734	S	S	*	*			trans	-67.6	99	165.9	-89.1	-179	147.9	0	0	107.8	K24 R28 G59	K24-M26 PolarHBondContact O-N 2.86Å; M26-R28 PolarHBondContact O-N 2.77Å; M26-R28 VanDerWaalsContact O-N 3.12Å; M26-G59 VanDerWaalsContact CE-CA 3.49Å
27	L	27	Very low	28.6	Very low	148 Å²	148	138.3 Å²	138.3	78%	0.775	71%	0.711	S	S	*	*			trans	-62.7	107.6	164.4	-88.2	149.6	0	0	0	108	P25 K29	P25-L27 PolarHBondContact O-N 2.93Å; L27-K29 PolarHBondContact O-N 3.38Å; L27-K29 VanDerWaalsContact O-N 3.09Å
28	R	34.5	Very low	28.9	Very low	189 Å²	189	143.2 Å²	143.2	71%	0.713	72%	0.722	S	S	*	*			trans	-64.9	108.5	163.9	-166.7	176	-174.9	-176.5	1.2	106.7	M26	M26-R28 PolarHBondContact O-N 2.77Å; M26-R28 VanDerWaalsContact O-N 3.12Å
29	K	27.7	Very low	29.2	Very low	171 Å²	171	144.6 Å²	144.6	74%	0.743	73%	0.725	S	S	*	*			trans	-66.2	134.8	178.8	-154.3	176.8	-177.1	-173.3	0	108.1	L27	L27-K29 PolarHBondContact O-N 3.38Å; L27-K29 VanDerWaalsContact O-N 3.09Å
30	E	26.8	Very low	29.5	Very low	156 Å²	156	139.9 Å²	139.9	73%	0.729	72%	0.717	S	S	*	*			trans	-42.3	142.5	171.8	-145.7	171.6	-166.2	0	0	111.1	V32	E30-V32 HydrophobicContact CG-CG2 4.14Å; E30-V32 PolarHBondContact O-N 2.95Å
31	R	37.7	Very low	29.8	Very low	234 Å²	234	140.5 Å²	140.5	88%	0.883	71%	0.707	S	S	*	*	S	Bend	trans	-68.5	34.6	170.7	-107.7	-170.1	-70.9	-177.9	0.9	112.3
32	V	34.2	Very low	30.4	Very low	85 Å²	85	144.7 Å²	144.7	52%	0.515	72%	0.72	S	S	.	*			trans	-120.9	86.7	173.5	-170.9	0	0	0	0	108	E30 R34	E30-V32 HydrophobicContact CG-CG2 4.14Å; E30-V32 PolarHBondContact O-N 2.95Å; V32-R34 VanDerWaalsContact C-N 3.3Å; V32-R34 HydrophobicContact CG1-CG 3.97Å; V32-R34 PolarHBondContact O-N 3.19Å
33	L	30	Very low	30.5	Very low	104 Å²	104	143.8 Å²	143.8	55%	0.545	72%	0.718	S	S	.	*			trans	-67.1	91.8	158.4	-97.7	168.2	0	0	0	108.2	D35 Y52	L33-D35 PolarHBondContact O-N 3.11Å; L33-Y52 HydrophobicContact CD1-CD1 3.65Å; L33-Y52 HydrophobicContact CD1-CD2 4.44Å; L33-Y52 HydrophobicContact CD1-CE1 3.13Å; L33-Y52 HydrophobicContact CD1-CE2 3.99Å; L33-Y52 HydrophobicContact CD1-CG 4.29Å; L33-Y52 HydrophobicContact CD2-CE1 4.25Å; L33-Y52 HydrophobicContact CD2-CE2 3.98Å; L33-Y52 WeakPolarHBondContact CD2-OH 3.47Å; L33-Y52 HydrophobicContact CG-CE1 3.67Å; L33-Y52 HydrophobicContact CG-CE2 4.31Å; L33-Y52 VanDerWaalsContact CG-CZ 3.49Å; L33-Y52 WeakPolarHBondContact CG-OH 3.3Å
34	R	33.3	Very low	31.1	Very low	226 Å²	226	146.1 Å²	146.1	85%	0.853	72%	0.721	S	S	*	*			trans	-75.1	104.4	158.7	-73	-170.4	-177.4	-146.6	-1.1	108.2	V32	V32-R34 VanDerWaalsContact C-N 3.3Å; V32-R34 HydrophobicContact CG1-CG 3.97Å; V32-R34 PolarHBondContact O-N 3.19Å
35	D	29.2	Very low	31.5	Very low	106 Å²	106	143.6 Å²	143.6	57%	0.567	71%	0.711	S	S	*	*			trans	-139	127.1	157.6	-139.3	-25.3	0	0	0	111.4	L33 E37	L33-D35 PolarHBondContact O-N 3.11Å; D35-E37 PolarHBondContact O-N 3.06Å; D35-E37 VanDerWaalsContact O-N 3.13Å
36	P	29.3	Very low	32	Very low	124 Å²	124	143.6 Å²	143.6	81%	0.805	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-74.8	7.3	-175.2	-12.9	29.8	0	0	0	115.4
37	E	28.8	Very low	32.5	Very low	100 Å²	100	141.2 Å²	141.2	47%	0.467	70%	0.697	S	S	.	*	G	3₁₀ helix	trans	-89	3.4	-173.3	-76.5	-152.7	145.7	0	0	115.4	D35 S39 R41	D35-E37 PolarHBondContact O-N 3.06Å; D35-E37 VanDerWaalsContact O-N 3.13Å; E37-S39 VanDerWaalsContact C-N 3.28Å; E37-S39 PolarHBondContact O-N 3.26Å; E37-R41 IonicContact OE1-NH2 3.32Å; E37-R41 PolarHBondContact OE1-NH2 2.67Å; E37-R41 IonicContact OE2-CZ 2.7Å; E37-R41 IonicContact OE2-NH1 3.41Å; E37-R41 PolarHBondContact OE2-NH1 3.34Å; E37-R41 IonicContact OE2-NH2 3.41Å; E37-R41 PolarHBondContact OE2-NH2 3.1Å
38	L	33.3	Very low	32.6	Very low	165 Å²	165	140.6 Å²	140.6	86%	0.864	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-73.4	-12.9	-177.8	-77.9	161	0	0	0	114.6	S40	L38-S40 PolarHBondContact O-N 2.84Å
39	S	34.1	Very low	32.6	Very low	122 Å²	122	135.1 Å²	135.1	85%	0.853	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-85.4	-0.2	-177.6	-172.5	0	0	0	0	115.1	E37	E37-S39 VanDerWaalsContact C-N 3.28Å; E37-S39 PolarHBondContact O-N 3.26Å
40	S	31.7	Very low	33.1	Very low	96 Å²	96	132.9 Å²	132.9	67%	0.671	67%	0.666	S	S	*	*	S	Bend	trans	-136.5	13.7	-170.5	68.8	0	0	0	0	118.8	L38	L38-S40 PolarHBondContact O-N 2.84Å
41	R	31.2	Very low	33.5	Very low	180 Å²	180	130.1 Å²	130.1	68%	0.679	65%	0.653	S	S	*	*			trans	-118.2	88.4	177.7	-67.5	-171.2	-176	125.8	10	113	E37 A43	E37-R41 IonicContact OE1-NH2 3.32Å; E37-R41 PolarHBondContact OE1-NH2 2.67Å; E37-R41 IonicContact OE2-CZ 2.7Å; E37-R41 IonicContact OE2-NH1 3.41Å; E37-R41 PolarHBondContact OE2-NH1 3.34Å; E37-R41 IonicContact OE2-NH2 3.41Å; E37-R41 PolarHBondContact OE2-NH2 3.1Å; R41-A43 PolarHBondContact O-N 2.95Å
42	Q	37.9	Very low	33.2	Very low	205 Å²	205	123.6 Å²	123.6	96%	0.958	63%	0.629	S	S	*	*			trans	-71.2	98.7	151	-92.5	173.7	-37.3	0	0	108.9
43	A	27.3	Very low	33.4	Very low	84 Å²	84	124.4 Å²	124.4	69%	0.694	63%	0.631	S	S	*	*	S	Bend	trans	175.7	122.2	145.3	0	0	0	0	0	107.8	R41 E45	R41-A43 PolarHBondContact O-N 2.95Å; A43-E45 PolarHBondContact O-N 2.88Å; A43-E45 VanDerWaalsContact O-N 3.13Å
44	H	40.1	Very low	34	Very low	167 Å²	167	122.1 Å²	122.1	77%	0.773	62%	0.617	S	S	*	*			trans	-53.7	112.1	174.3	-74.8	-90.5	0	0	0	111.3	D46	H44-D46 IonicContact ND1-OD1 3.34Å; H44-D46 PolarHBondContact ND1-OD1 2.93Å; H44-D46 IonicContact ND1-OD2 3.68Å
45	E	31.9	Very low	34.1	Very low	126 Å²	126	116.2 Å²	116.2	59%	0.589	60%	0.599	S	S	*	*			trans	-124.2	68	157.9	-78.6	-170.3	169.5	0	0	107.3	A43 N47 K48	A43-E45 PolarHBondContact O-N 2.88Å; A43-E45 VanDerWaalsContact O-N 3.13Å; E45-N47 PolarHBondContact O-N 2.64Å; E45-K48 PolarHBondContact O-N 3.2Å; E45-K48 WeakPolarHBondContact OE2-CE 3.26Å; E45-K48 IonicContact OE2-NZ 3.87Å; E45-K48 PolarHBondContact OE2-NZ 2.65Å
46	D	39.9	Very low	34.3	Very low	93 Å²	93	114.2 Å²	114.2	50%	0.497	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.7	-22.1	-177.1	-60.7	-23.2	0	0	0	112.4	H44 K48 S49 Y50	H44-D46 IonicContact ND1-OD1 3.34Å; H44-D46 PolarHBondContact ND1-OD1 2.93Å; H44-D46 IonicContact ND1-OD2 3.68Å; D46-K48 VanDerWaalsContact C-N 3.29Å; D46-K48 PolarHBondContact O-N 2.6Å; D46-S49 PolarHBondContact O-N 2.67Å; D46-Y50 HydrophobicContact CB-CE2 4.25Å; D46-Y50 WeakPolarHBondContact O-CD2 3.41Å; D46-Y50 WeakPolarHBondContact O-CE2 3.1Å
47	N	35.8	Very low	34.5	Very low	85 Å²	85	113.9 Å²	113.9	46%	0.455	58%	0.583	S	S	.	*	H	α-helix	trans	-65	-24.2	-177.1	-145.8	-8.5	0	0	0	114.4	E45	E45-N47 PolarHBondContact O-N 2.64Å
48	K	29.3	Very low	35	Very low	134 Å²	134	112.9 Å²	112.9	58%	0.583	58%	0.581	S	S	*	*	H	α-helix	trans	-84.6	-23	179.9	-73.1	175.5	178.9	159.9	0	113.6	E45 D46	E45-K48 PolarHBondContact O-N 3.2Å; E45-K48 WeakPolarHBondContact OE2-CE 3.26Å; E45-K48 IonicContact OE2-NZ 3.87Å; E45-K48 PolarHBondContact OE2-NZ 2.65Å; D46-K48 VanDerWaalsContact C-N 3.29Å; D46-K48 PolarHBondContact O-N 2.6Å
49	S	35.9	Very low	35.1	Very low	74 Å²	74	105.9 Å²	105.9	52%	0.517	55%	0.548	S	S	.	.	H	α-helix	trans	-68.1	-43.9	178.5	-167.9	0	0	0	0	110.7	D46 Q51 Y52 D53	D46-S49 PolarHBondContact O-N 2.67Å; S49-Q51 PolarHBondContact O-N 3.42Å; S49-Y52 WeakPolarHBondContact O-CB 3.3Å; S49-Y52 PolarHBondContact O-N 3.2Å; S49-D53 PolarHBondContact O-N 2.81Å
50	Y	36.9	Very low	35.3	Very low	124 Å²	124	106.9 Å²	106.9	49%	0.486	54%	0.537	S	S	.	.	H	α-helix	trans	-67.4	-38.2	-178.7	-60.6	-72.2	0	0	0	112.7	D46 Y52 D53 H54	D46-Y50 HydrophobicContact CB-CE2 4.25Å; D46-Y50 WeakPolarHBondContact O-CD2 3.41Å; D46-Y50 WeakPolarHBondContact O-CE2 3.1Å; Y50-Y52 PolarHBondContact O-N 3.31Å; Y50-D53 PolarHBondContact O-N 3.29Å; Y50-H54 PolarHBondContact O-N 3.31Å; Y50-H54 PolarHBondContact O-ND1 3.06Å
51	Q	35	Very low	35.6	Very low	98 Å²	98	109.1 Å²	109.1	46%	0.458	54%	0.542	S	S	.	.	H	α-helix	trans	-60.3	-31.2	174.6	-72.3	-177.2	-24.6	0	0	112.9	S49 H54 E55	S49-Q51 PolarHBondContact O-N 3.42Å; Q51-H54 WeakPolarHBondContact O-CB 3.3Å; Q51-H54 PolarHBondContact O-N 3.17Å; Q51-E55 PolarHBondContact O-N 3.28Å
52	Y	31.6	Very low	36.3	Very low	98 Å²	98	108.7 Å²	108.7	38%	0.384	55%	0.547	S	S	.	.	H	α-helix	trans	-73.4	-41.9	-178.7	-167.6	-88.7	0	0	0	112.2	L33 S49 Y50 H54 E55 A56	L33-Y52 HydrophobicContact CD1-CD1 3.65Å; L33-Y52 HydrophobicContact CD1-CD2 4.44Å; L33-Y52 HydrophobicContact CD1-CE1 3.13Å; L33-Y52 HydrophobicContact CD1-CE2 3.99Å; L33-Y52 HydrophobicContact CD1-CG 4.29Å; L33-Y52 HydrophobicContact CD2-CE1 4.25Å; L33-Y52 HydrophobicContact CD2-CE2 3.98Å; L33-Y52 WeakPolarHBondContact CD2-OH 3.47Å; L33-Y52 HydrophobicContact CG-CE1 3.67Å; L33-Y52 HydrophobicContact CG-CE2 4.31Å; L33-Y52 VanDerWaalsContact CG-CZ 3.49Å; L33-Y52 WeakPolarHBondContact CG-OH 3.3Å; S49-Y52 WeakPolarHBondContact O-CB 3.3Å; S49-Y52 PolarHBondContact O-N 3.2Å; Y50-Y52 PolarHBondContact O-N 3.31Å; Y52-H54 PolarHBondContact O-N 2.73Å; Y52-E55 PolarHBondContact O-N 2.88Å; Y52-A56 PolarHBondContact O-N 3.09Å
53	D	38.3	Very low	36.4	Very low	102 Å²	102	101.6 Å²	101.6	55%	0.545	52%	0.523	S	S	.	.	H	α-helix	trans	-62.3	-27.5	175.1	-68.9	-21.7	0	0	0	111.7	S49 Y50	S49-D53 PolarHBondContact O-N 2.81Å; Y50-D53 PolarHBondContact O-N 3.29Å
54	H	44.1	Very low	37.3	Very low	55 Å²	55	104.3 Å²	104.3	26%	0.255	52%	0.519	S	S	.	.	H	α-helix	trans	-74.7	-47.4	177.5	-76.1	54.8	0	0	0	113.5	Y50 Q51 Y52 A56 F57 L58 Y314	Y50-H54 PolarHBondContact O-N 3.31Å; Y50-H54 PolarHBondContact O-ND1 3.06Å; Q51-H54 WeakPolarHBondContact O-CB 3.3Å; Q51-H54 PolarHBondContact O-N 3.17Å; Y52-H54 PolarHBondContact O-N 2.73Å; H54-A56 PolarHBondContact O-N 3.47Å; H54-F57 PolarHBondContact O-N 3.32Å; H54-L58 HydrophobicContact CB-CD1 4.39Å; H54-L58 WeakPolarHBondContact O-CB 2.84Å; H54-L58 WeakPolarHBondContact O-CG 2.98Å; H54-L58 PolarHBondContact O-N 2.94Å; H54-Y314 AromaticContact CE1-CD1 3.65Å; H54-Y314 AromaticContact CE1-CD2 3.53Å; H54-Y314 AromaticContact CE1-CE1 3.89Å; H54-Y314 AromaticContact CE1-CE2 3.75Å; H54-Y314 AromaticContact CE1-CG 3.46Å; H54-Y314 VanDerWaalsContact CE1-CG 3.46Å; H54-Y314 AromaticContact CE1-CZ 3.92Å; H54-Y314 WeakPolarHBondContact NE2-CB 3.44Å; H54-Y314 AromaticContact NE2-CD1 3.67Å; H54-Y314 AromaticContact NE2-CD2 3.01Å; H54-Y314 WeakPolarHBondContact NE2-CD2 3.5Å; H54-Y314 AromaticContact NE2-CE2 3.68Å; H54-Y314 AromaticContact NE2-CG 2.99Å
55	E	34.7	Very low	37.9	Very low	103 Å²	103	99.3 Å²	99.3	48%	0.481	50%	0.501	S	S	.	.	H	α-helix	trans	-64	-31.6	179.2	-76.4	-164.4	167.3	0	0	112.3	Q51 Y52 F57 G59 K60	Q51-E55 PolarHBondContact O-N 3.28Å; Y52-E55 PolarHBondContact O-N 2.88Å; E55-F57 VanDerWaalsContact C-N 3.33Å; E55-G59 PolarHBondContact O-N 3.4Å; E55-K60 IonicContact OE1-NZ 3.36Å; E55-K60 PolarHBondContact OE1-NZ 2.96Å; E55-K60 VanDerWaalsContact OE2-CE 3.28Å; E55-K60 WeakPolarHBondContact OE2-CE 3.42Å; E55-K60 IonicContact OE2-NZ 3Å; E55-K60 PolarHBondContact OE2-NZ 2.85Å
56	A	34	Very low	39.1	Very low	63 Å²	63	94.5 Å²	94.5	52%	0.521	48%	0.478	S	S	.	.	H	α-helix	trans	-72	-24.7	179.9	0	0	0	0	0	113.5	Y52 H54	Y52-A56 PolarHBondContact O-N 3.09Å; H54-A56 PolarHBondContact O-N 3.47Å
57	F	33.3	Very low	39.9	Very low	117 Å²	117	95.3 Å²	95.3	51%	0.513	48%	0.483	S	S	.	.	H	α-helix	trans	-98.2	-37.6	-178.9	-164.9	-94.5	0	0	0	113.3	H54 E55	H54-F57 PolarHBondContact O-N 3.32Å; E55-F57 VanDerWaalsContact C-N 3.33Å
58	L	39.3	Very low	41.4	Very low	80 Å²	80	97.1 Å²	97.1	42%	0.419	49%	0.488	S	S	.	.	H	α-helix	trans	-94.8	-21.4	-167.9	-64.8	171.9	0	0	0	114.7	H54 Y109	H54-L58 HydrophobicContact CB-CD1 4.39Å; H54-L58 WeakPolarHBondContact O-CB 2.84Å; H54-L58 WeakPolarHBondContact O-CG 2.98Å; H54-L58 PolarHBondContact O-N 2.94Å; L58-Y109 VanDerWaalsContact CD2-OH 3.22Å; L58-Y109 WeakPolarHBondContact CD2-OH 3.45Å
59	G	35.8	Very low	43.5	Very low	17 Å²	17	92 Å²	92	18%	0.175	47%	0.467	C	S	.	.			trans	71.7	151.2	-167.4	0	0	0	0	0	112.6	M26 E55 D61	M26-G59 VanDerWaalsContact CE-CA 3.49Å; E55-G59 PolarHBondContact O-N 3.4Å; G59-D61 VanDerWaalsContact C-N 3.29Å; G59-D61 PolarHBondContact O-N 3.16Å
60	K	36.9	Very low	45.9	Very low	144 Å²	144	91.4 Å²	91.4	63%	0.626	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-11.1	-167.8	-65.6	-166.6	176.7	-126.1	0	115.4	E55	E55-K60 IonicContact OE1-NZ 3.36Å; E55-K60 PolarHBondContact OE1-NZ 2.96Å; E55-K60 VanDerWaalsContact OE2-CE 3.28Å; E55-K60 WeakPolarHBondContact OE2-CE 3.42Å; E55-K60 IonicContact OE2-NZ 3Å; E55-K60 PolarHBondContact OE2-NZ 2.85Å
61	D	39	Very low	48.2	Very low	143 Å²	143	88.4 Å²	88.4	77%	0.765	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-12.1	-158.2	-72.1	-24.3	0	0	0	115.3	G59	G59-D61 VanDerWaalsContact C-N 3.29Å; G59-D61 PolarHBondContact O-N 3.16Å
62	E	44.7	Very low	50.7	Low	171 Å²	171	90 Å²	90	80%	0.799	46%	0.464	S	S	*	.	S	Bend	trans	-130.3	-3.2	-176.4	-65.1	-170.6	166.3	0	0	116.1	K64	E62-K64 PolarHBondContact O-N 3.45Å
63	A	40.6	Very low	53.3	Low	55 Å²	55	89.3 Å²	89.3	46%	0.455	46%	0.464	S	S	.	.			trans	-72.1	94.8	169.7	0	0	0	0	0	109.4	T65	A63-T65 HydrophobicContact CB-CG2 3.91Å; A63-T65 PolarHBondContact O-N 2.91Å
64	K	45.6	Very low	55.6	Low	141 Å²	141	84.5 Å²	84.5	61%	0.613	44%	0.438	S	S	*	.			trans	-65.2	86.9	144.4	-70.7	-172.1	-178.3	174.6	0	105.7	E62 F66 T319	E62-K64 PolarHBondContact O-N 3.45Å; K64-F66 PolarHBondContact O-N 3.05Å; K64-T319 HydrophobicContact CB-CG2 4.36Å; K64-T319 WeakPolarHBondContact O-CG2 3.19Å
65	T	53.9	Low	57.8	Low	63 Å²	63	86.1 Å²	86.1	39%	0.387	44%	0.442	S	S	.	.			trans	-56.8	143.1	173.5	59.4	0	0	0	0	107.6	A63 D67 Q68	A63-T65 HydrophobicContact CB-CG2 3.91Å; A63-T65 PolarHBondContact O-N 2.91Å; T65-D67 VanDerWaalsContact CB-OD2 3.31Å; T65-D67 WeakPolarHBondContact CB-OD2 3.32Å; T65-D67 PolarHBondContact O-N 2.74Å; T65-D67 WeakPolarHBondContact OG1-CB 3.45Å; T65-D67 PolarHBondContact OG1-OD2 2.93Å; T65-Q68 WeakPolarHBondContact O-CB 3.39Å; T65-Q68 WeakPolarHBondContact O-CG 3.42Å; T65-Q68 PolarHBondContact O-N 2.94Å
66	F	56.7	Low	60.4	Low	24 Å²	24	85.2 Å²	85.2	11%	0.105	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-52.2	-19.8	176.4	165	-82	0	0	0	112.6	K64 Q68 L69 S74 W303 V307 L318	K64-F66 PolarHBondContact O-N 3.05Å; F66-Q68 PolarHBondContact O-N 2.84Å; F66-L69 HydrophobicContact CD2-CB 4.29Å; F66-L69 HydrophobicContact CD2-CD1 3.76Å; F66-L69 HydrophobicContact CD2-CG 4.38Å; F66-L69 HydrophobicContact CE2-CB 4.32Å; F66-L69 HydrophobicContact CE2-CD1 4.13Å; F66-L69 WeakPolarHBondContact O-CB 3.38Å; F66-L69 PolarHBondContact O-N 2.76Å; F66-S74 WeakPolarHBondContact CE2-OG 3.46Å; F66-S74 WeakPolarHBondContact CZ-OG 3.26Å; F66-W303 HydrophobicContact CE1-CE3 4.44Å; F66-W303 HydrophobicContact CE1-CH2 4.17Å; F66-W303 AromaticContact CE1-CZ3 3.5Å; F66-W303 HydrophobicContact CE1-CZ3 3.5Å; F66-W303 AromaticContact CZ-CE3 3.86Å; F66-W303 HydrophobicContact CZ-CE3 3.86Å; F66-W303 HydrophobicContact CZ-CH2 4.2Å; F66-W303 AromaticContact CZ-CZ3 3.31Å; F66-W303 HydrophobicContact CZ-CZ3 3.31Å; F66-V307 HydrophobicContact CB-CG1 4.17Å; F66-V307 HydrophobicContact CD1-CG1 3.41Å; F66-V307 VanDerWaalsContact CD1-CG1 3.41Å; F66-V307 HydrophobicContact CD2-CG1 3.48Å; F66-V307 VanDerWaalsContact CD2-CG1 3.48Å; F66-V307 HydrophobicContact CD2-CG2 4.39Å; F66-V307 HydrophobicContact CE1-CB 4.47Å; F66-V307 HydrophobicContact CE1-CG1 3.52Å; F66-V307 HydrophobicContact CE2-CB 4.21Å; F66-V307 HydrophobicContact CE2-CG1 3.47Å; F66-V307 VanDerWaalsContact CE2-CG1 3.47Å; F66-V307 HydrophobicContact CE2-CG2 3.67Å; F66-V307 HydrophobicContact CG-CG1 3.38Å; F66-V307 HydrophobicContact CZ-CB 4.12Å; F66-V307 HydrophobicContact CZ-CG1 3.46Å; F66-V307 VanDerWaalsContact CZ-CG1 3.46Å; F66-V307 HydrophobicContact CZ-CG2 3.73Å; F66-L318 HydrophobicContact CD2-CB 4.1Å; F66-L318 HydrophobicContact CD2-CD1 3.34Å; F66-L318 HydrophobicContact CD2-CG 4.34Å; F66-L318 HydrophobicContact CE2-CD1 3.53Å; F66-L318 HydrophobicContact CG-CD1 4.32Å
67	D	57.7	Low	63	Low	111 Å²	111	85 Å²	85	59%	0.594	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-51.5	-16.1	170.6	-50.7	-43.3	0	0	0	114.1	T65	T65-D67 VanDerWaalsContact CB-OD2 3.31Å; T65-D67 WeakPolarHBondContact CB-OD2 3.32Å; T65-D67 PolarHBondContact O-N 2.74Å; T65-D67 WeakPolarHBondContact OG1-CB 3.45Å; T65-D67 PolarHBondContact OG1-OD2 2.93Å
68	Q	65.6	Low	65.7	Low	122 Å²	122	79.5 Å²	79.5	57%	0.57	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-84.3	-14.6	174.2	-60.2	-178.3	14	0	0	114.1	T65 F66	T65-Q68 WeakPolarHBondContact O-CB 3.39Å; T65-Q68 WeakPolarHBondContact O-CG 3.42Å; T65-Q68 PolarHBondContact O-N 2.94Å; F66-Q68 PolarHBondContact O-N 2.84Å
69	L	74.4	Confident	68.3	Low	26 Å²	26	76.9 Å²	76.9	14%	0.136	39%	0.391	C	S	.	.	S	Bend	trans	-90.7	142.1	178	-60.7	-176.6	0	0	0	110.8	F66 E73 L318	F66-L69 HydrophobicContact CD2-CB 4.29Å; F66-L69 HydrophobicContact CD2-CD1 3.76Å; F66-L69 HydrophobicContact CD2-CG 4.38Å; F66-L69 HydrophobicContact CE2-CB 4.32Å; F66-L69 HydrophobicContact CE2-CD1 4.13Å; F66-L69 WeakPolarHBondContact O-CB 3.38Å; F66-L69 PolarHBondContact O-N 2.76Å; L69-E73 HydrophobicContact CB-CB 4.34Å; L69-L318 HydrophobicContact CD1-CB 4.08Å
70	T	85.1	Confident	70.9	Confident	63 Å²	63	79.2 Å²	79.2	39%	0.387	40%	0.396	S	S	.	.			trans	-74.5	153.5	171.6	84.1	0	0	0	0	110.6	E72 E73 S74	T70-E72 WeakPolarHBondContact CB-OE2 3.1Å; T70-E72 PolarHBondContact O-N 3.36Å; T70-E72 PolarHBondContact OG1-OE2 2.8Å; T70-E73 PolarHBondContact N-OE2 3.3Å; T70-E73 WeakPolarHBondContact O-CB 3.21Å; T70-E73 PolarHBondContact O-N 3.03Å; T70-E73 PolarHBondContact OG1-N 2.88Å; T70-S74 WeakPolarHBondContact O-CB 3.39Å; T70-S74 PolarHBondContact O-N 3.12Å; T70-S74 PolarHBondContact O-OG 3.25Å
71	P	85.8	Confident	73.5	Confident	61 Å²	61	72.4 Å²	72.4	40%	0.396	37%	0.366	S	S	.	.	H	α-helix	trans	-50.7	-32.4	178	-28.9	36.3	0	0	0	114.4	S74 R75 W303	P71-S74 WeakPolarHBondContact O-CB 3.47Å; P71-R75 WeakPolarHBondContact O-CB 3.23Å; P71-R75 WeakPolarHBondContact O-CG 3.18Å; P71-R75 PolarHBondContact O-N 2.61Å; P71-R75 VanDerWaalsContact O-N 3.07Å; P71-W303 HydrophobicContact CB-CH2 4.43Å; P71-W303 HydrophobicContact CB-CZ2 3.9Å; P71-W303 HydrophobicContact CG-CZ2 4.29Å
72	E	87.9	Confident	76.1	Confident	132 Å²	132	65.8 Å²	65.8	62%	0.617	33%	0.331	S	S	*	.	H	α-helix	trans	-70.7	-45.8	176.2	-59.7	74.5	-161.4	0	0	112.3	T70 S74 R75 D76	T70-E72 WeakPolarHBondContact CB-OE2 3.1Å; T70-E72 PolarHBondContact O-N 3.36Å; T70-E72 PolarHBondContact OG1-OE2 2.8Å; E72-S74 VanDerWaalsContact C-N 3.28Å; E72-S74 PolarHBondContact O-N 3.15Å; E72-R75 PolarHBondContact O-N 2.86Å; E72-D76 PolarHBondContact O-N 3.28Å
73	E	86.9	Confident	78.4	Confident	83 Å²	83	62.1 Å²	62.1	39%	0.388	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-42.2	176.1	-66.6	-179.6	131.9	0	0	110.6	L69 T70 D76 R77	L69-E73 HydrophobicContact CB-CB 4.34Å; T70-E73 PolarHBondContact N-OE2 3.3Å; T70-E73 WeakPolarHBondContact O-CB 3.21Å; T70-E73 PolarHBondContact O-N 3.03Å; T70-E73 PolarHBondContact OG1-N 2.88Å; E73-D76 PolarHBondContact O-N 2.99Å; E73-R77 WeakPolarHBondContact O-CB 3.4Å; E73-R77 VanDerWaalsContact O-CG 3.25Å; E73-R77 WeakPolarHBondContact O-CG 3.25Å; E73-R77 PolarHBondContact O-N 3.21Å
74	S	85.8	Confident	80.9	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-58	-48.7	176.5	-56.2	0	0	0	0	113.3	F66 T70 P71 E72 R77 L78	F66-S74 WeakPolarHBondContact CE2-OG 3.46Å; F66-S74 WeakPolarHBondContact CZ-OG 3.26Å; T70-S74 WeakPolarHBondContact O-CB 3.39Å; T70-S74 PolarHBondContact O-N 3.12Å; T70-S74 PolarHBondContact O-OG 3.25Å; P71-S74 WeakPolarHBondContact O-CB 3.47Å; E72-S74 VanDerWaalsContact C-N 3.28Å; E72-S74 PolarHBondContact O-N 3.15Å; S74-R77 PolarHBondContact O-N 3.08Å; S74-L78 WeakPolarHBondContact O-CB 3.35Å; S74-L78 PolarHBondContact O-N 3.45Å
75	R	89.4	Confident	83.2	Confident	90 Å²	90	57.6 Å²	57.6	34%	0.34	28%	0.284	S	S	.	.	H	α-helix	trans	-64.8	-40.8	175.9	-74	171.4	-176.2	-119.4	9.5	111.3	P71 E72 R77 S79 L300 D301 W303	P71-R75 WeakPolarHBondContact O-CB 3.23Å; P71-R75 WeakPolarHBondContact O-CG 3.18Å; P71-R75 PolarHBondContact O-N 2.61Å; P71-R75 VanDerWaalsContact O-N 3.07Å; E72-R75 PolarHBondContact O-N 2.86Å; R75-R77 VanDerWaalsContact C-N 3.35Å; R75-R77 PolarHBondContact O-N 3.02Å; R75-S79 WeakPolarHBondContact O-CB 3.49Å; R75-S79 PolarHBondContact O-N 3.48Å; R75-L300 HydrophobicContact CB-CD2 4.33Å; R75-L300 PolarHBondContact NH1-O 3.31Å; R75-L300 VanDerWaalsContact O-CD2 3.24Å; R75-L300 WeakPolarHBondContact O-CD2 3.36Å; R75-D301 IonicContact NH1-OD1 3.91Å; R75-W303 HydrophobicContact CG-CB 3.94Å; R75-W303 HydrophobicContact CG-CD2 4.38Å; R75-W303 HydrophobicContact CG-CG 3.77Å; R75-W303 VanDerWaalsContact NH2-CD1 3.26Å
76	D	90.1	Very high	85.2	Confident	84 Å²	84	55.9 Å²	55.9	45%	0.449	27%	0.273	S	S	.	.	H	α-helix	trans	-62.3	-42	176.6	-180	73.3	0	0	0	112.2	E72 E73 S79 K80	E72-D76 PolarHBondContact O-N 3.28Å; E73-D76 PolarHBondContact O-N 2.99Å; D76-S79 WeakPolarHBondContact O-CB 3.39Å; D76-K80 PolarHBondContact O-N 2.85Å; D76-K80 IonicContact OD2-NZ 2.73Å; D76-K80 PolarHBondContact OD2-NZ 3.06Å
77	R	88.9	Confident	86.8	Confident	59 Å²	59	58 Å²	58	22%	0.223	30%	0.302	C	S	.	.	H	α-helix	trans	-74.2	-41.4	179.7	-64.8	-171.2	-161.1	-164.7	2.1	112	E73 S74 R75 S79 K80 I81 L318	E73-R77 WeakPolarHBondContact O-CB 3.4Å; E73-R77 VanDerWaalsContact O-CG 3.25Å; E73-R77 WeakPolarHBondContact O-CG 3.25Å; E73-R77 PolarHBondContact O-N 3.21Å; S74-R77 PolarHBondContact O-N 3.08Å; R75-R77 VanDerWaalsContact C-N 3.35Å; R75-R77 PolarHBondContact O-N 3.02Å; R77-S79 VanDerWaalsContact C-N 3.27Å; R77-S79 PolarHBondContact O-N 3.19Å; R77-K80 PolarHBondContact O-N 3.42Å; R77-I81 PolarHBondContact O-N 3.05Å; R77-L318 HydrophobicContact CB-CD2 3.73Å; R77-L318 WeakPolarHBondContact CD-O 3.4Å; R77-L318 PolarHBondContact NH1-O 3.29Å
78	L	90.9	Very high	88.6	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-60.3	-39.8	173	-179.7	61.1	0	0	0	111.1	S74 K80 I81 V82 I299 L300 W303 F306 V307 T312 L318	S74-L78 WeakPolarHBondContact O-CB 3.35Å; S74-L78 PolarHBondContact O-N 3.45Å; L78-K80 PolarHBondContact O-N 3.21Å; L78-I81 WeakPolarHBondContact O-CA 3.34Å; L78-I81 WeakPolarHBondContact O-CB 3.39Å; L78-I81 PolarHBondContact O-N 2.99Å; L78-V82 HydrophobicContact CD1-CG2 4.46Å; L78-V82 HydrophobicContact CG-CG2 4.35Å; L78-V82 WeakPolarHBondContact O-CG2 3.35Å; L78-V82 PolarHBondContact O-N 3.46Å; L78-I299 HydrophobicContact CD1-CG2 4.48Å; L78-I299 HydrophobicContact CD2-CG2 4Å; L78-I299 HydrophobicContact CG-CG2 4.25Å; L78-L300 HydrophobicContact CB-CD2 4.2Å; L78-L300 HydrophobicContact CD2-CD2 4.2Å; L78-L300 HydrophobicContact CG-CD2 4.16Å; L78-W303 HydrophobicContact CD2-CB 3.72Å; L78-F306 HydrophobicContact CD1-CB 4Å; L78-F306 HydrophobicContact CD2-CB 3.9Å; L78-V307 HydrophobicContact CD2-CG2 4.49Å; L78-T312 HydrophobicContact CD1-CG2 4.04Å; L78-L318 HydrophobicContact CB-CD2 4.13Å
79	S	92.9	Very high	89.9	Confident	25 Å²	25	55.9 Å²	55.9	18%	0.175	31%	0.306	C	S	.	.	H	α-helix	trans	-54.7	-37.4	176.4	168.6	0	0	0	0	112.6	R75 D76 R77 D83 K296	R75-S79 WeakPolarHBondContact O-CB 3.49Å; R75-S79 PolarHBondContact O-N 3.48Å; D76-S79 WeakPolarHBondContact O-CB 3.39Å; R77-S79 VanDerWaalsContact C-N 3.27Å; R77-S79 PolarHBondContact O-N 3.19Å; S79-D83 PolarHBondContact O-N 2.73Å; S79-K296 VanDerWaalsContact O-CE 3.24Å; S79-K296 WeakPolarHBondContact O-CE 3.15Å; S79-K296 PolarHBondContact O-NZ 2.86Å; S79-K296 WeakPolarHBondContact OG-CE 3.46Å; S79-K296 PolarHBondContact OG-NZ 2.95Å
80	K	91.3	Very high	91	Very high	66 Å²	66	58.6 Å²	58.6	29%	0.287	32%	0.32	S	S	.	.	H	α-helix	trans	-77.7	-28.2	177.2	-65.5	160.9	-179.5	152.1	0	113.1	D76 R77 L78 H322	D76-K80 PolarHBondContact O-N 2.85Å; D76-K80 IonicContact OD2-NZ 2.73Å; D76-K80 PolarHBondContact OD2-NZ 3.06Å; R77-K80 PolarHBondContact O-N 3.42Å; L78-K80 PolarHBondContact O-N 3.21Å; K80-H322 VanDerWaalsContact CD-CD2 3.46Å; K80-H322 WeakPolarHBondContact CD-CD2 3.38Å; K80-H322 WeakPolarHBondContact CD-CE1 3.25Å; K80-H322 WeakPolarHBondContact CD-NE2 2.99Å; K80-H322 PolarHBondContact NZ-CD2 3.13Å; K80-H322 PolarHBondContact NZ-NE2 2.65Å
81	I	91.6	Very high	91.4	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-70	-45.2	173	-67.2	173.9	0	0	0	109.1	R77 L78 D83 R84 I85 W101 T312 D317 L318 L325	R77-I81 PolarHBondContact O-N 3.05Å; L78-I81 WeakPolarHBondContact O-CA 3.34Å; L78-I81 WeakPolarHBondContact O-CB 3.39Å; L78-I81 PolarHBondContact O-N 2.99Å; I81-D83 VanDerWaalsContact C-N 3.25Å; I81-D83 PolarHBondContact O-N 3.08Å; I81-R84 WeakPolarHBondContact O-CA 3.47Å; I81-R84 WeakPolarHBondContact O-CB 3.35Å; I81-R84 PolarHBondContact O-N 2.84Å; I81-I85 HydrophobicContact CG2-CD1 4.04Å; I81-I85 HydrophobicContact CG2-CG1 4.3Å; I81-I85 WeakPolarHBondContact O-CG1 3.45Å; I81-I85 PolarHBondContact O-N 3.31Å; I81-I85 VanDerWaalsContact O-N 3.11Å; I81-W101 HydrophobicContact CG2-CZ2 3.7Å; I81-T312 HydrophobicContact CD1-CG2 4.21Å; I81-D317 HydrophobicContact CD1-CB 4.3Å; I81-L318 HydrophobicContact CD1-CD2 3.65Å; I81-L318 HydrophobicContact CD1-CG 4.23Å; I81-L325 HydrophobicContact CG1-CD1 4.13Å
82	V	93.4	Very high	92	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.024	32%	0.32	C	S	.	.	H	α-helix	trans	-51.5	-44.4	175.4	165.4	0	0	0	0	111.7	L78 R84 I85 D86 I93 K296 I299	L78-V82 HydrophobicContact CD1-CG2 4.46Å; L78-V82 HydrophobicContact CG-CG2 4.35Å; L78-V82 WeakPolarHBondContact O-CG2 3.35Å; L78-V82 PolarHBondContact O-N 3.46Å; V82-R84 PolarHBondContact O-N 2.69Å; V82-R84 VanDerWaalsContact O-N 3.1Å; V82-I85 PolarHBondContact O-N 3.12Å; V82-D86 PolarHBondContact O-N 3.4Å; V82-I93 HydrophobicContact CB-CD1 4.31Å; V82-I93 HydrophobicContact CG1-CD1 3.66Å; V82-I93 HydrophobicContact CG2-CD1 4.49Å; V82-K296 HydrophobicContact CG1-CB 3.82Å; V82-K296 HydrophobicContact CG1-CD 3.93Å; V82-K296 HydrophobicContact CG1-CG 3.7Å; V82-I299 HydrophobicContact CG1-CD1 4.36Å; V82-I299 HydrophobicContact CG2-CB 4.16Å; V82-I299 HydrophobicContact CG2-CD1 4Å; V82-I299 HydrophobicContact CG2-CG2 3.53Å
83	D	92.9	Very high	92.4	Very high	93 Å²	93	52.6 Å²	52.6	50%	0.497	29%	0.292	S	S	.	.	H	α-helix	trans	-62.7	-17.4	177	-64	-28.7	0	0	0	114.1	S79 I81 K296	S79-D83 PolarHBondContact O-N 2.73Å; I81-D83 VanDerWaalsContact C-N 3.25Å; I81-D83 PolarHBondContact O-N 3.08Å; D83-K296 IonicContact OD1-NZ 2.67Å; D83-K296 PolarHBondContact OD1-NZ 2.97Å; D83-K296 IonicContact OD2-NZ 2.88Å; D83-K296 PolarHBondContact OD2-NZ 2.86Å
84	R	91.9	Very high	92.9	Very high	95 Å²	95	51 Å²	51	36%	0.358	29%	0.288	S	S	.	.	H	α-helix	trans	-96.4	-20.9	175.2	-60.2	-175.1	-172	-138	-8	113.3	I81 V82 W101 H322 L325	I81-R84 WeakPolarHBondContact O-CA 3.47Å; I81-R84 WeakPolarHBondContact O-CB 3.35Å; I81-R84 PolarHBondContact O-N 2.84Å; V82-R84 PolarHBondContact O-N 2.69Å; V82-R84 VanDerWaalsContact O-N 3.1Å; R84-W101 HydrophobicContact CB-CE3 4.31Å; R84-W101 HydrophobicContact CB-CH2 3.78Å; R84-W101 HydrophobicContact CB-CZ3 3.53Å; R84-H322 PolarHBondContact NH1-O 3.45Å; R84-H322 PolarHBondContact NH2-O 3.39Å; R84-L325 PolarHBondContact NH1-O 3.16Å
85	I	94.7	Very high	93.4	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-72.2	-44.2	175	-60.3	172.2	0	0	0	109	I81 V82 G87 I93 E97 L98 W101	I81-I85 HydrophobicContact CG2-CD1 4.04Å; I81-I85 HydrophobicContact CG2-CG1 4.3Å; I81-I85 WeakPolarHBondContact O-CG1 3.45Å; I81-I85 PolarHBondContact O-N 3.31Å; I81-I85 VanDerWaalsContact O-N 3.11Å; V82-I85 PolarHBondContact O-N 3.12Å; I85-G87 PolarHBondContact O-N 2.91Å; I85-I93 HydrophobicContact CB-CD1 3.7Å; I85-I93 HydrophobicContact CB-CG1 4.17Å; I85-I93 HydrophobicContact CD1-CD1 4.36Å; I85-I93 HydrophobicContact CG2-CB 4.38Å; I85-I93 HydrophobicContact CG2-CD1 3.76Å; I85-I93 HydrophobicContact CG2-CG1 3.87Å; I85-I93 HydrophobicContact CG2-CG2 3.6Å; I85-E97 HydrophobicContact CG2-CB 4.43Å; I85-L98 HydrophobicContact CD1-CD1 4Å; I85-L98 HydrophobicContact CG2-CB 4.5Å; I85-L98 HydrophobicContact CG2-CD1 4.09Å; I85-W101 HydrophobicContact CB-CG 4.41Å; I85-W101 HydrophobicContact CD1-CG 4.28Å; I85-W101 HydrophobicContact CG1-CB 4.13Å; I85-W101 HydrophobicContact CG1-CD2 3.68Å; I85-W101 HydrophobicContact CG1-CE3 4.3Å; I85-W101 HydrophobicContact CG1-CG 3.55Å; I85-W101 HydrophobicContact CG2-CB 4.17Å; I85-W101 HydrophobicContact CG2-CG 4.48Å
86	D	95.2	Very high	93.8	Very high	28 Å²	28	53.6 Å²	53.6	15%	0.15	31%	0.309	C	S	.	.			trans	-65.5	93.7	173.9	179.7	0.6	0	0	0	109.9	V82 A89 D90 G91 I93	V82-D86 PolarHBondContact O-N 3.4Å; D86-A89 WeakPolarHBondContact OD1-CA 3.37Å; D86-A89 PolarHBondContact OD1-N 3.2Å; D86-A89 WeakPolarHBondContact OD2-CA 3.49Å; D86-D90 PolarHBondContact OD1-N 3.06Å; D86-G91 VanDerWaalsContact OD2-CA 3.3Å; D86-G91 WeakPolarHBondContact OD2-CA 3.36Å; D86-G91 PolarHBondContact OD2-N 2.89Å; D86-I93 HydrophobicContact CB-CG1 4.17Å
87	G	91.1	Very high	94.1	Very high	68 Å²	68	51 Å²	51	70%	0.701	29%	0.294	S	S	*	.	S	Bend	trans	-84.5	-26.9	-169.5	0	0	0	0	0	112.7	I85 E97	I85-G87 PolarHBondContact O-N 2.91Å; G87-E97 PolarHBondContact N-OE1 3.28Å
88	D	94.1	Very high	94.4	Very high	105 Å²	105	48.1 Å²	48.1	56%	0.561	28%	0.284	S	S	*	.	S	Bend	trans	-98.5	-5	177.9	75	9.3	0	0	0	114	D90	D88-D90 VanDerWaalsContact C-N 3.28Å; D88-D90 PolarHBondContact O-N 3.23Å; D88-D90 VanDerWaalsContact OD1-CB 3.26Å; D88-D90 WeakPolarHBondContact OD1-CB 3.43Å; D88-D90 VanDerWaalsContact OD1-CG 3.3Å; D88-D90 PolarHBondContact OD1-N 2.99Å
89	A	94.8	Very high	94.6	Very high	83 Å²	83	48.8 Å²	48.8	69%	0.686	29%	0.287	S	S	*	.			trans	60.7	32.7	177.5	0	0	0	0	0	113.3	D86 G91	D86-A89 WeakPolarHBondContact OD1-CA 3.37Å; D86-A89 PolarHBondContact OD1-N 3.2Å; D86-A89 WeakPolarHBondContact OD2-CA 3.49Å; A89-G91 VanDerWaalsContact C-N 3.28Å
90	D	95.4	Very high	94.8	Very high	84 Å²	84	50.4 Å²	50.4	45%	0.449	30%	0.302	S	S	.	.	S	Bend	trans	-82.5	-6.4	176.7	88.6	-7.7	0	0	0	113.4	D86 D88 Y92	D86-D90 PolarHBondContact OD1-N 3.06Å; D88-D90 VanDerWaalsContact C-N 3.28Å; D88-D90 PolarHBondContact O-N 3.23Å; D88-D90 VanDerWaalsContact OD1-CB 3.26Å; D88-D90 WeakPolarHBondContact OD1-CB 3.43Å; D88-D90 VanDerWaalsContact OD1-CG 3.3Å; D88-D90 PolarHBondContact OD1-N 2.99Å; D90-Y92 WeakPolarHBondContact OD1-CA 3.24Å; D90-Y92 VanDerWaalsContact OD1-CB 3.3Å; D90-Y92 WeakPolarHBondContact OD1-CB 2.89Å; D90-Y92 PolarHBondContact OD1-N 3.48Å
91	G	95.1	Very high	94.9	Very high	44 Å²	44	47.9 Å²	47.9	45%	0.454	29%	0.291	S	S	.	.	S	Bend	trans	87.1	4.3	179	0	0	0	0	0	114.3	D86 A89	D86-G91 VanDerWaalsContact OD2-CA 3.3Å; D86-G91 WeakPolarHBondContact OD2-CA 3.36Å; D86-G91 PolarHBondContact OD2-N 2.89Å; A89-G91 VanDerWaalsContact C-N 3.28Å
92	Y	96.9	Very high	94.9	Very high	83 Å²	83	47.8 Å²	47.8	33%	0.325	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	154.1	174	-59.6	-86.8	0	0	0	110.4	D90 K293 L294 T295	D90-Y92 WeakPolarHBondContact OD1-CA 3.24Å; D90-Y92 VanDerWaalsContact OD1-CB 3.3Å; D90-Y92 WeakPolarHBondContact OD1-CB 2.89Å; D90-Y92 PolarHBondContact OD1-N 3.48Å; Y92-K293 HydrophobicContact CD1-CD 3.55Å; Y92-K293 VanDerWaalsContact CD1-CE 3.41Å; Y92-K293 HydrophobicContact CD1-CG 3.92Å; Y92-K293 HydrophobicContact CD2-CD 4.39Å; Y92-K293 HydrophobicContact CE1-CD 4.19Å; Y92-K293 VanDerWaalsContact CE1-NZ 3.33Å; Y92-K293 VanDerWaalsContact CE2-NZ 3.34Å; Y92-K293 HydrophobicContact CG-CD 3.67Å; Y92-K293 HydrophobicContact CG-CG 4.38Å; Y92-K293 VanDerWaalsContact CZ-NZ 3.3Å; Y92-L294 CarbonylContact C-O 3.28Å; Y92-L294 WeakPolarHBondContact CA-O 3.22Å; Y92-T295 HydrophobicContact CD1-CG2 3.95Å; Y92-T295 HydrophobicContact CE1-CG2 3.76Å
93	I	97.3	Very high	94.8	Very high	3 Å²	3	52 Å²	52	2%	0.015	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116	172	-74	168.3	0	0	0	107.9	V82 I85 D86 L98 K293 L294 I299	V82-I93 HydrophobicContact CB-CD1 4.31Å; V82-I93 HydrophobicContact CG1-CD1 3.66Å; V82-I93 HydrophobicContact CG2-CD1 4.49Å; I85-I93 HydrophobicContact CB-CD1 3.7Å; I85-I93 HydrophobicContact CB-CG1 4.17Å; I85-I93 HydrophobicContact CD1-CD1 4.36Å; I85-I93 HydrophobicContact CG2-CB 4.38Å; I85-I93 HydrophobicContact CG2-CD1 3.76Å; I85-I93 HydrophobicContact CG2-CG1 3.87Å; I85-I93 HydrophobicContact CG2-CG2 3.6Å; D86-I93 HydrophobicContact CB-CG1 4.17Å; I93-L98 HydrophobicContact CG2-CB 4.06Å; I93-K293 WeakPolarHBondContact O-CA 3.33Å; I93-L294 HydrophobicContact CB-CB 4.34Å; I93-L294 PolarHBondContact N-O 3.39Å; I93-L294 PolarHBondContact O-N 3.24Å; I93-I299 HydrophobicContact CB-CD1 4.28Å; I93-I299 HydrophobicContact CD1-CD1 3.37Å; I93-I299 HydrophobicContact CG1-CD1 4.36Å
94	T	97.3	Very high	94.7	Very high	50 Å²	50	54.8 Å²	54.8	31%	0.307	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	162.1	174.2	63.5	0	0	0	0	111.3	D96 E97 L98	T94-D96 PolarHBondContact O-N 2.91Å; T94-E97 PolarHBondContact N-OE2 2.89Å; T94-E97 PolarHBondContact O-N 3.23Å; T94-E97 VanDerWaalsContact OG1-CG 3.3Å; T94-E97 WeakPolarHBondContact OG1-CG 3.49Å; T94-E97 PolarHBondContact OG1-N 3.35Å; T94-E97 PolarHBondContact OG1-OE2 3.49Å; T94-L98 WeakPolarHBondContact O-CB 3.13Å; T94-L98 PolarHBondContact O-N 3.14Å
95	T	96.8	Very high	94.6	Very high	28 Å²	28	50.3 Å²	50.3	17%	0.172	30%	0.295	C	S	.	.	H	α-helix	trans	-58.2	-36.6	173.5	-53.9	0	0	0	0	111.8	L98 N99 A279 R280	T95-L98 PolarHBondContact O-N 3.41Å; T95-N99 WeakPolarHBondContact O-CB 3.34Å; T95-N99 PolarHBondContact O-N 3.02Å; T95-A279 HydrophobicContact CG2-CB 3.94Å; T95-R280 HydrophobicContact CG2-CG 3.69Å
96	D	96.6	Very high	94	Very high	115 Å²	115	52.4 Å²	52.4	62%	0.615	31%	0.305	S	S	*	.	H	α-helix	trans	-70.3	-40.8	-177.4	-69	-18.1	0	0	0	111.8	T94 N99 A100	T94-D96 PolarHBondContact O-N 2.91Å; D96-N99 PolarHBondContact O-N 3.02Å; D96-A100 WeakPolarHBondContact O-CB 3.37Å; D96-A100 PolarHBondContact O-N 2.8Å
97	E	97.3	Very high	93.7	Very high	29 Å²	29	57.1 Å²	57.1	14%	0.136	32%	0.324	C	S	.	.	H	α-helix	trans	-63.3	-43.1	172.8	-73.7	170.8	123.8	0	0	111.7	I85 G87 T94 A100 W101	I85-E97 HydrophobicContact CG2-CB 4.43Å; G87-E97 PolarHBondContact N-OE1 3.28Å; T94-E97 PolarHBondContact N-OE2 2.89Å; T94-E97 PolarHBondContact O-N 3.23Å; T94-E97 VanDerWaalsContact OG1-CG 3.3Å; T94-E97 WeakPolarHBondContact OG1-CG 3.49Å; T94-E97 PolarHBondContact OG1-N 3.35Å; T94-E97 PolarHBondContact OG1-OE2 3.49Å; E97-A100 PolarHBondContact O-N 2.93Å; E97-W101 WeakPolarHBondContact O-CB 3.37Å; E97-W101 PolarHBondContact O-N 3.23Å
98	L	95.6	Very high	93.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66	-40	178.2	-170.3	59.2	0	0	0	111.9	I85 I93 T94 T95 W101 I102 A279 L282 V283 F306 A311	I85-L98 HydrophobicContact CD1-CD1 4Å; I85-L98 HydrophobicContact CG2-CB 4.5Å; I85-L98 HydrophobicContact CG2-CD1 4.09Å; I93-L98 HydrophobicContact CG2-CB 4.06Å; T94-L98 WeakPolarHBondContact O-CB 3.13Å; T94-L98 PolarHBondContact O-N 3.14Å; T95-L98 PolarHBondContact O-N 3.41Å; L98-W101 PolarHBondContact O-N 3Å; L98-I102 HydrophobicContact CG-CD1 4.15Å; L98-I102 VanDerWaalsContact O-CG1 3.25Å; L98-I102 WeakPolarHBondContact O-CG1 3.23Å; L98-I102 PolarHBondContact O-N 3.09Å; L98-A279 HydrophobicContact CB-CB 4.05Å; L98-A279 HydrophobicContact CD2-CB 4.24Å; L98-A279 HydrophobicContact CG-CB 4.04Å; L98-L282 HydrophobicContact CD1-CD1 4.5Å; L98-L282 HydrophobicContact CD2-CB 3.71Å; L98-L282 HydrophobicContact CD2-CD1 3.86Å; L98-L282 HydrophobicContact CD2-CG 4.44Å; L98-L282 HydrophobicContact CG-CD1 4.38Å; L98-V283 HydrophobicContact CD2-CG2 4.29Å; L98-F306 HydrophobicContact CD1-CE1 4.23Å; L98-F306 HydrophobicContact CD2-CE1 4.12Å; L98-F306 HydrophobicContact CD2-CZ 4.5Å; L98-A311 HydrophobicContact CD1-CB 4.1Å
99	N	95.1	Very high	93	Very high	14 Å²	14	52.2 Å²	52.2	8%	0.075	28%	0.277	C	S	.	.	H	α-helix	trans	-60	-51.6	171.6	177.5	5.1	0	0	0	110.9	T95 D96 W101 I102 K103 D273 A275 Q276 A279	T95-N99 WeakPolarHBondContact O-CB 3.34Å; T95-N99 PolarHBondContact O-N 3.02Å; D96-N99 PolarHBondContact O-N 3.02Å; N99-W101 PolarHBondContact O-N 3.19Å; N99-I102 PolarHBondContact O-N 3.4Å; N99-I102 VanDerWaalsContact O-N 3.16Å; N99-K103 PolarHBondContact O-N 3.37Å; N99-K103 WeakPolarHBondContact OD1-CD 3.46Å; N99-K103 WeakPolarHBondContact OD1-CE 3.22Å; N99-D273 PolarHBondContact ND2-OD2 3.35Å; N99-A275 WeakPolarHBondContact OD1-CB 3.43Å; N99-Q276 VanDerWaalsContact CB-OE1 3.3Å; N99-Q276 VanDerWaalsContact CG-OE1 3.3Å; N99-Q276 PolarHBondContact ND2-OE1 3.3Å; N99-A279 HydrophobicContact CB-CB 4.09Å
100	A	95.6	Very high	92.5	Very high	60 Å²	60	48.7 Å²	48.7	50%	0.496	25%	0.246	S	C	.	.	H	α-helix	trans	-58.1	-39.3	179.9	0	0	0	0	0	111.9	D96 E97 R104	D96-A100 WeakPolarHBondContact O-CB 3.37Å; D96-A100 PolarHBondContact O-N 2.8Å; E97-A100 PolarHBondContact O-N 2.93Å; A100-R104 WeakPolarHBondContact O-CB 3.32Å; A100-R104 PolarHBondContact O-N 3.23Å
101	W	95.3	Very high	92.1	Very high	12 Å²	12	48.9 Å²	48.9	5%	0.045	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-50.6	173.9	177.8	-100	0	0	0	112.3	I81 R84 I85 E97 L98 N99 K103 R104 V105 A311	I81-W101 HydrophobicContact CG2-CZ2 3.7Å; R84-W101 HydrophobicContact CB-CE3 4.31Å; R84-W101 HydrophobicContact CB-CH2 3.78Å; R84-W101 HydrophobicContact CB-CZ3 3.53Å; I85-W101 HydrophobicContact CB-CG 4.41Å; I85-W101 HydrophobicContact CD1-CG 4.28Å; I85-W101 HydrophobicContact CG1-CB 4.13Å; I85-W101 HydrophobicContact CG1-CD2 3.68Å; I85-W101 HydrophobicContact CG1-CE3 4.3Å; I85-W101 HydrophobicContact CG1-CG 3.55Å; I85-W101 HydrophobicContact CG2-CB 4.17Å; I85-W101 HydrophobicContact CG2-CG 4.48Å; E97-W101 WeakPolarHBondContact O-CB 3.37Å; E97-W101 PolarHBondContact O-N 3.23Å; L98-W101 PolarHBondContact O-N 3Å; N99-W101 PolarHBondContact O-N 3.19Å; W101-K103 VanDerWaalsContact C-N 3.32Å; W101-K103 PolarHBondContact O-N 3.43Å; W101-R104 WeakPolarHBondContact O-CA 3.44Å; W101-R104 WeakPolarHBondContact O-CB 3.27Å; W101-R104 PolarHBondContact O-N 3.34Å; W101-V105 HydrophobicContact CD2-CG2 4.16Å; W101-V105 HydrophobicContact CG-CG2 4.34Å; W101-V105 HydrophobicContact CZ2-CG2 3.87Å; W101-V105 WeakPolarHBondContact O-CG2 3.31Å; W101-V105 PolarHBondContact O-N 3.39Å; W101-A311 PolarHBondContact NE1-O 2.77Å
102	I	90.8	Very high	91.7	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-56.5	-46.6	179	-70.4	163.7	0	0	0	110.6	L98 N99 R104 V105 Q106 A275 E278 A279 L282 Q310 A311	L98-I102 HydrophobicContact CG-CD1 4.15Å; L98-I102 VanDerWaalsContact O-CG1 3.25Å; L98-I102 WeakPolarHBondContact O-CG1 3.23Å; L98-I102 PolarHBondContact O-N 3.09Å; N99-I102 PolarHBondContact O-N 3.4Å; N99-I102 VanDerWaalsContact O-N 3.16Å; I102-R104 VanDerWaalsContact C-N 3.3Å; I102-R104 PolarHBondContact O-N 2.89Å; I102-V105 PolarHBondContact O-N 3.41Å; I102-Q106 HydrophobicContact CG2-CG 4.41Å; I102-Q106 WeakPolarHBondContact O-CG 3.32Å; I102-Q106 PolarHBondContact O-N 3.3Å; I102-A275 HydrophobicContact CB-CB 4.09Å; I102-A275 HydrophobicContact CG2-CB 3.63Å; I102-E278 HydrophobicContact CD1-CB 4.16Å; I102-E278 HydrophobicContact CD1-CG 3.93Å; I102-A279 HydrophobicContact CD1-CB 4.15Å; I102-L282 HydrophobicContact CD1-CD1 4.26Å; I102-Q310 HydrophobicContact CG2-CB 3.74Å; I102-A311 HydrophobicContact CG1-CB 4.01Å
103	K	90.8	Very high	90.9	Very high	93 Å²	93	46.8 Å²	46.8	40%	0.404	22%	0.224	S	C	.	.	H	α-helix	trans	-60.3	-39.4	175.8	-73.2	-179.7	175.4	169.1	0	112.7	N99 W101 K107 D273 A275	N99-K103 PolarHBondContact O-N 3.37Å; N99-K103 WeakPolarHBondContact OD1-CD 3.46Å; N99-K103 WeakPolarHBondContact OD1-CE 3.22Å; W101-K103 VanDerWaalsContact C-N 3.32Å; W101-K103 PolarHBondContact O-N 3.43Å; K103-K107 VanDerWaalsContact O-CB 3.32Å; K103-K107 WeakPolarHBondContact O-CB 3.19Å; K103-K107 PolarHBondContact O-N 2.93Å; K103-D273 VanDerWaalsContact CE-OD1 3.31Å; K103-D273 WeakPolarHBondContact CE-OD1 3.45Å; K103-D273 WeakPolarHBondContact CE-OD2 3.36Å; K103-D273 IonicContact NZ-OD1 3.61Å; K103-D273 IonicContact NZ-OD2 2.67Å; K103-D273 PolarHBondContact NZ-OD2 3.05Å; K103-A275 HydrophobicContact CD-CB 4.41Å; K103-A275 HydrophobicContact CG-CB 3.61Å
104	R	91.4	Very high	90.4	Very high	150 Å²	150	46.8 Å²	46.8	57%	0.566	22%	0.224	S	C	*	.	H	α-helix	trans	-64.5	-44.4	176.2	176.1	-174.9	170.3	126.1	-1.9	111.2	A100 W101 I102 R108	A100-R104 WeakPolarHBondContact O-CB 3.32Å; A100-R104 PolarHBondContact O-N 3.23Å; W101-R104 WeakPolarHBondContact O-CA 3.44Å; W101-R104 WeakPolarHBondContact O-CB 3.27Å; W101-R104 PolarHBondContact O-N 3.34Å; I102-R104 VanDerWaalsContact C-N 3.3Å; I102-R104 PolarHBondContact O-N 2.89Å; R104-R108 WeakPolarHBondContact O-CB 3.34Å; R104-R108 PolarHBondContact O-N 2.97Å
105	V	88.8	Confident	90	Very high	1 Å²	1	47 Å²	47	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-50.2	178	173.4	0	0	0	0	110.4	W101 I102 K107 R108 Y109 N313 D317	W101-V105 HydrophobicContact CD2-CG2 4.16Å; W101-V105 HydrophobicContact CG-CG2 4.34Å; W101-V105 HydrophobicContact CZ2-CG2 3.87Å; W101-V105 WeakPolarHBondContact O-CG2 3.31Å; W101-V105 PolarHBondContact O-N 3.39Å; I102-V105 PolarHBondContact O-N 3.41Å; V105-K107 PolarHBondContact O-N 3.21Å; V105-R108 PolarHBondContact O-N 3.35Å; V105-Y109 PolarHBondContact O-N 3.14Å; V105-N313 HydrophobicContact CG1-CB 3.8Å; V105-D317 WeakPolarHBondContact CG1-OD2 3.11Å
106	Q	83.4	Confident	89.5	Confident	51 Å²	51	50.7 Å²	50.7	24%	0.238	25%	0.245	C	C	.	.	H	α-helix	trans	-55.6	-51.3	176.8	-73.5	171.4	-18.4	0	0	111.6	I102 R108 Y109 V110	I102-Q106 HydrophobicContact CG2-CG 4.41Å; I102-Q106 WeakPolarHBondContact O-CG 3.32Å; I102-Q106 PolarHBondContact O-N 3.3Å; Q106-R108 VanDerWaalsContact C-N 3.34Å; Q106-R108 PolarHBondContact O-N 3.42Å; Q106-Y109 WeakPolarHBondContact O-CB 3.24Å; Q106-Y109 PolarHBondContact O-N 2.96Å; Q106-V110 WeakPolarHBondContact O-CG2 3.29Å; Q106-V110 PolarHBondContact O-N 2.75Å; Q106-V110 VanDerWaalsContact O-N 3.14Å
107	K	87.4	Confident	89	Confident	126 Å²	126	47 Å²	47	55%	0.548	23%	0.226	S	C	.	.	H	α-helix	trans	-60.1	-44.5	179.2	-174.3	170.2	-175.3	170.2	0	111.6	K103 V105 Y109 V110 Y111	K103-K107 VanDerWaalsContact O-CB 3.32Å; K103-K107 WeakPolarHBondContact O-CB 3.19Å; K103-K107 PolarHBondContact O-N 2.93Å; V105-K107 PolarHBondContact O-N 3.21Å; K107-Y109 PolarHBondContact O-N 3.49Å; K107-V110 WeakPolarHBondContact O-CB 3.33Å; K107-V110 PolarHBondContact O-N 3.39Å; K107-Y111 HydrophobicContact CD-CE2 4.29Å; K107-Y111 HydrophobicContact CG-CD2 4.06Å; K107-Y111 HydrophobicContact CG-CE2 3.69Å; K107-Y111 WeakPolarHBondContact O-CD2 3.17Å; K107-Y111 PolarHBondContact O-N 3.49Å
108	R	88.3	Confident	88.7	Confident	34 Å²	34	46 Å²	46	13%	0.128	22%	0.221	C	C	.	.	H	α-helix	trans	-58.3	-48.8	176.6	169.9	179.1	59	-143.3	0.9	111.1	R104 V105 Q106 V110 Y111 E112 D317 L325	R104-R108 WeakPolarHBondContact O-CB 3.34Å; R104-R108 PolarHBondContact O-N 2.97Å; V105-R108 PolarHBondContact O-N 3.35Å; Q106-R108 VanDerWaalsContact C-N 3.34Å; Q106-R108 PolarHBondContact O-N 3.42Å; R108-V110 VanDerWaalsContact C-N 3.27Å; R108-V110 PolarHBondContact O-N 3.39Å; R108-Y111 PolarHBondContact O-N 3.19Å; R108-Y111 VanDerWaalsContact O-N 3.16Å; R108-E112 WeakPolarHBondContact CD-OE1 3.35Å; R108-E112 HydrophobicContact CG-CG 4.01Å; R108-E112 WeakPolarHBondContact CG-OE1 3.05Å; R108-E112 WeakPolarHBondContact O-CG 3.42Å; R108-E112 PolarHBondContact O-N 3.36Å; R108-D317 IonicContact CZ-OD2 3.86Å; R108-D317 IonicContact NH2-OD1 2.83Å; R108-D317 IonicContact NH2-OD2 2.84Å; R108-D317 PolarHBondContact NH2-OD2 2.99Å; R108-L325 VanDerWaalsContact NH1-C 3.25Å; R108-L325 PolarHBondContact NH1-OXT 3.46Å
109	Y	84.1	Confident	88.5	Confident	36 Å²	36	51 Å²	51	14%	0.141	25%	0.252	C	S	.	.	H	α-helix	trans	-54.9	-44.3	-178.9	169.4	-97.4	0	0	0	111.7	L58 V105 Q106 K107 Y111 E112 N113 N313	L58-Y109 VanDerWaalsContact CD2-OH 3.22Å; L58-Y109 WeakPolarHBondContact CD2-OH 3.45Å; V105-Y109 PolarHBondContact O-N 3.14Å; Q106-Y109 WeakPolarHBondContact O-CB 3.24Å; Q106-Y109 PolarHBondContact O-N 2.96Å; K107-Y109 PolarHBondContact O-N 3.49Å; Y109-Y111 PolarHBondContact O-N 3.19Å; Y109-E112 PolarHBondContact O-N 3.19Å; Y109-N113 WeakPolarHBondContact O-CB 3.32Å; Y109-N113 PolarHBondContact O-N 3.21Å; Y109-N313 WeakPolarHBondContact CD2-ND2 3.35Å
110	V	83.3	Confident	88.2	Confident	9 Å²	9	55.3 Å²	55.3	6%	0.055	28%	0.275	C	S	.	.	H	α-helix	trans	-55.6	-50.4	176.4	164.6	0	0	0	0	111.9	Q106 K107 R108 N113 V114 T186 H190 E193	Q106-V110 WeakPolarHBondContact O-CG2 3.29Å; Q106-V110 PolarHBondContact O-N 2.75Å; Q106-V110 VanDerWaalsContact O-N 3.14Å; K107-V110 WeakPolarHBondContact O-CB 3.33Å; K107-V110 PolarHBondContact O-N 3.39Å; R108-V110 VanDerWaalsContact C-N 3.27Å; R108-V110 PolarHBondContact O-N 3.39Å; V110-N113 PolarHBondContact O-N 2.92Å; V110-V114 WeakPolarHBondContact O-CG2 3.5Å; V110-V114 PolarHBondContact O-N 2.99Å; V110-T186 HydrophobicContact CG1-CG2 3.34Å; V110-H190 HydrophobicContact CG1-CB 3.99Å; V110-H190 HydrophobicContact CG2-CB 4.47Å; V110-E193 HydrophobicContact CG2-CG 4.09Å
111	Y	87.2	Confident	88.1	Confident	88 Å²	88	54.7 Å²	54.7	35%	0.345	26%	0.26	S	S	.	.	H	α-helix	trans	-70.3	-34	179.5	-73.2	-77	0	0	0	113.3	K107 R108 Y109 A115 T186	K107-Y111 HydrophobicContact CD-CE2 4.29Å; K107-Y111 HydrophobicContact CG-CD2 4.06Å; K107-Y111 HydrophobicContact CG-CE2 3.69Å; K107-Y111 WeakPolarHBondContact O-CD2 3.17Å; K107-Y111 PolarHBondContact O-N 3.49Å; R108-Y111 PolarHBondContact O-N 3.19Å; R108-Y111 VanDerWaalsContact O-N 3.16Å; Y109-Y111 PolarHBondContact O-N 3.19Å; Y111-A115 WeakPolarHBondContact O-CB 3.5Å; Y111-A115 PolarHBondContact O-N 2.83Å; Y111-T186 HydrophobicContact CD1-CG2 4.26Å; Y111-T186 HydrophobicContact CE1-CG2 4.13Å
112	E	85.8	Confident	88.1	Confident	48 Å²	48	54.8 Å²	54.8	22%	0.224	26%	0.261	C	S	.	.	H	α-helix	trans	-69.7	-39.3	177.4	-72.4	174.4	154.5	0	0	111.9	R108 Y109 V114 A115 K116 R320	R108-E112 WeakPolarHBondContact CD-OE1 3.35Å; R108-E112 HydrophobicContact CG-CG 4.01Å; R108-E112 WeakPolarHBondContact CG-OE1 3.05Å; R108-E112 WeakPolarHBondContact O-CG 3.42Å; R108-E112 PolarHBondContact O-N 3.36Å; Y109-E112 PolarHBondContact O-N 3.19Å; E112-V114 VanDerWaalsContact C-N 3.33Å; E112-V114 PolarHBondContact O-N 3.43Å; E112-A115 PolarHBondContact O-N 3.21Å; E112-K116 WeakPolarHBondContact O-CG 3.46Å; E112-K116 PolarHBondContact O-N 2.71Å; E112-R320 IonicContact OE1-CZ 3.32Å; E112-R320 IonicContact OE1-NH1 2.66Å; E112-R320 IonicContact OE1-NH2 3.16Å; E112-R320 PolarHBondContact OE1-NH2 3.15Å; E112-R320 IonicContact OE2-CZ 3.49Å; E112-R320 IonicContact OE2-NH1 3.67Å; E112-R320 PolarHBondContact OE2-NH1 3.24Å; E112-R320 IonicContact OE2-NH2 3.9Å; E112-R320 PolarHBondContact OE2-NH2 3.39Å
113	N	81.5	Confident	88.2	Confident	35 Å²	35	58.8 Å²	58.8	19%	0.187	28%	0.282	C	S	.	.	H	α-helix	trans	-56.3	-50.3	173.7	-174.8	-78.3	0	0	0	110.3	Y109 V110 A115 K116 V117	Y109-N113 WeakPolarHBondContact O-CB 3.32Å; Y109-N113 PolarHBondContact O-N 3.21Å; V110-N113 PolarHBondContact O-N 2.92Å; N113-A115 VanDerWaalsContact C-N 3.34Å; N113-A115 PolarHBondContact O-N 3.03Å; N113-K116 WeakPolarHBondContact O-CB 3.18Å; N113-K116 PolarHBondContact O-N 2.87Å; N113-V117 PolarHBondContact O-N 2.93Å
114	V	86.3	Confident	88.4	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-59.6	-43.6	176	172.4	0	0	0	0	111.6	V110 E112 K116 V117 W118 F185 T186 L189	V110-V114 WeakPolarHBondContact O-CG2 3.5Å; V110-V114 PolarHBondContact O-N 2.99Å; E112-V114 VanDerWaalsContact C-N 3.33Å; E112-V114 PolarHBondContact O-N 3.43Å; V114-K116 VanDerWaalsContact C-N 3.33Å; V114-K116 PolarHBondContact O-N 2.97Å; V114-V117 PolarHBondContact O-N 3.35Å; V114-W118 HydrophobicContact CG1-CE3 3.88Å; V114-W118 HydrophobicContact CG1-CZ3 4.19Å; V114-W118 WeakPolarHBondContact O-CB 3.47Å; V114-W118 PolarHBondContact O-N 3.42Å; V114-F185 HydrophobicContact CG1-CD1 4.03Å; V114-T186 HydrophobicContact CG2-CG2 4Å; V114-L189 HydrophobicContact CG2-CD1 4.17Å
115	A	89.1	Confident	88.6	Confident	54 Å²	54	59.9 Å²	59.9	45%	0.446	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-37.2	179.3	0	0	0	0	0	112.8	Y111 E112 N113 W118	Y111-A115 WeakPolarHBondContact O-CB 3.5Å; Y111-A115 PolarHBondContact O-N 2.83Å; E112-A115 PolarHBondContact O-N 3.21Å; N113-A115 VanDerWaalsContact C-N 3.34Å; N113-A115 PolarHBondContact O-N 3.03Å; A115-W118 WeakPolarHBondContact O-CB 3.36Å
116	K	86.8	Confident	89	Confident	106 Å²	106	63.9 Å²	63.9	46%	0.461	32%	0.316	S	S	.	.	H	α-helix	trans	-62.9	-48.3	177.4	-73.6	172.6	-175.7	177.3	0	111.1	E112 N113 V114 E316	E112-K116 WeakPolarHBondContact O-CG 3.46Å; E112-K116 PolarHBondContact O-N 2.71Å; N113-K116 WeakPolarHBondContact O-CB 3.18Å; N113-K116 PolarHBondContact O-N 2.87Å; V114-K116 VanDerWaalsContact C-N 3.33Å; V114-K116 PolarHBondContact O-N 2.97Å; K116-E316 IonicContact NZ-OE1 2.69Å; K116-E316 PolarHBondContact NZ-OE1 2.88Å
117	V	85.6	Confident	89.6	Confident	38 Å²	38	65.7 Å²	65.7	23%	0.23	33%	0.328	C	S	.	.	H	α-helix	trans	-83.8	-10.8	-176.4	-55.9	0	0	0	0	113.6	N113 V114 V119 D120 Y121 F185 L189	N113-V117 PolarHBondContact O-N 2.93Å; V114-V117 PolarHBondContact O-N 3.35Å; V117-V119 VanDerWaalsContact C-N 3.26Å; V117-V119 PolarHBondContact O-N 3.4Å; V117-V119 VanDerWaalsContact O-N 3.16Å; V117-D120 WeakPolarHBondContact O-CB 3.32Å; V117-D120 PolarHBondContact O-N 2.89Å; V117-Y121 HydrophobicContact CB-CD2 4.13Å; V117-Y121 HydrophobicContact CB-CE2 3.91Å; V117-Y121 HydrophobicContact CG2-CD2 4.09Å; V117-Y121 HydrophobicContact CG2-CE2 3.94Å; V117-Y121 VanDerWaalsContact O-CD2 3.3Å; V117-Y121 WeakPolarHBondContact O-CD2 3.45Å; V117-Y121 PolarHBondContact O-N 2.83Å; V117-F185 HydrophobicContact CG2-CE1 4.46Å; V117-L189 HydrophobicContact CG2-CD1 4.18Å
118	W	90.7	Very high	90	Very high	8 Å²	8	62.6 Å²	62.6	3%	0.03	32%	0.315	C	S	.	.	H	α-helix	trans	-50.6	-45.4	-175.1	-169.5	-86	0	0	0	113.1	V114 A115 D120 Y121 D122 I129 R182 F185	V114-W118 HydrophobicContact CG1-CE3 3.88Å; V114-W118 HydrophobicContact CG1-CZ3 4.19Å; V114-W118 WeakPolarHBondContact O-CB 3.47Å; V114-W118 PolarHBondContact O-N 3.42Å; A115-W118 WeakPolarHBondContact O-CB 3.36Å; W118-D120 PolarHBondContact O-N 3.04Å; W118-Y121 PolarHBondContact O-N 2.96Å; W118-D122 PolarHBondContact NE1-OD2 2.6Å; W118-D122 WeakPolarHBondContact O-CB 3.28Å; W118-D122 PolarHBondContact O-N 3.16Å; W118-I129 HydrophobicContact CD2-CD1 4.07Å; W118-I129 HydrophobicContact CE3-CD1 3.79Å; W118-I129 HydrophobicContact CH2-CD1 4.05Å; W118-I129 HydrophobicContact CH2-CG1 4.28Å; W118-I129 HydrophobicContact CZ2-CD1 4.34Å; W118-I129 HydrophobicContact CZ2-CG1 4.28Å; W118-I129 HydrophobicContact CZ3-CD1 3.77Å; W118-I129 HydrophobicContact CZ3-CG1 4.48Å; W118-R182 HydrophobicContact CE3-CG 4.16Å; W118-R182 HydrophobicContact CH2-CB 4.21Å; W118-R182 HydrophobicContact CH2-CG 3.52Å; W118-R182 HydrophobicContact CZ2-CG 3.96Å; W118-R182 HydrophobicContact CZ3-CB 4.16Å; W118-R182 HydrophobicContact CZ3-CG 3.64Å; W118-F185 HydrophobicContact CE3-CD1 4.28Å; W118-F185 HydrophobicContact CZ3-CB 3.99Å; W118-F185 HydrophobicContact CZ3-CD1 4.04Å; W118-F185 HydrophobicContact CZ3-CG 4.32Å
119	V	91.1	Very high	90.5	Very high	106 Å²	106	61 Å²	61	64%	0.642	31%	0.308	S	S	*	.	H	α-helix	trans	-69.8	-21.2	-175.9	-63	0	0	0	0	113.5	V117	V117-V119 VanDerWaalsContact C-N 3.26Å; V117-V119 PolarHBondContact O-N 3.4Å; V117-V119 VanDerWaalsContact O-N 3.16Å
120	D	89.9	Confident	91.2	Very high	104 Å²	104	60.7 Å²	60.7	56%	0.556	31%	0.311	S	S	*	.	H	α-helix	trans	-81	-24.6	178.7	-62.4	-27.3	0	0	0	111.3	V117 W118 L123	V117-D120 WeakPolarHBondContact O-CB 3.32Å; V117-D120 PolarHBondContact O-N 2.89Å; W118-D120 PolarHBondContact O-N 3.04Å; D120-L123 WeakPolarHBondContact O-CD2 3.4Å
121	Y	92	Very high	91.8	Very high	46 Å²	46	61 Å²	61	18%	0.18	31%	0.312	C	S	.	.	H	α-helix	trans	-100.9	-34.5	-179.6	-68	-69.2	0	0	0	113.5	V117 W118 L123 E133 Y134 A137 F185	V117-Y121 HydrophobicContact CB-CD2 4.13Å; V117-Y121 HydrophobicContact CB-CE2 3.91Å; V117-Y121 HydrophobicContact CG2-CD2 4.09Å; V117-Y121 HydrophobicContact CG2-CE2 3.94Å; V117-Y121 VanDerWaalsContact O-CD2 3.3Å; V117-Y121 WeakPolarHBondContact O-CD2 3.45Å; V117-Y121 PolarHBondContact O-N 2.83Å; W118-Y121 PolarHBondContact O-N 2.96Å; Y121-L123 PolarHBondContact O-N 3.46Å; Y121-E133 WeakPolarHBondContact O-CB 3.36Å; Y121-Y134 AromaticContact CD1-CD2 3.73Å; Y121-Y134 HydrophobicContact CD1-CD2 3.73Å; Y121-Y134 HydrophobicContact CD1-CE2 4.38Å; Y121-Y134 AromaticContact CE1-CD2 3.53Å; Y121-Y134 HydrophobicContact CE1-CD2 3.53Å; Y121-Y134 AromaticContact CE1-CE2 3.74Å; Y121-Y134 HydrophobicContact CE1-CE2 3.74Å; Y121-A137 HydrophobicContact CD1-CB 3.55Å; Y121-A137 HydrophobicContact CE1-CB 3.72Å; Y121-F185 HydrophobicContact CD2-CE1 4.09Å; Y121-F185 AromaticContact CD2-CZ 3.77Å; Y121-F185 HydrophobicContact CD2-CZ 3.77Å; Y121-F185 HydrophobicContact CE2-CZ 4.16Å; Y121-F185 HydrophobicContact CG-CZ 4.01Å
122	D	95.4	Very high	92.3	Very high	14 Å²	14	62.2 Å²	62.2	8%	0.075	32%	0.324	C	S	.	.			trans	-78.9	71.8	175.8	-178.4	6.7	0	0	0	110.7	W118 N124 K125 D126 N127 I129	W118-D122 PolarHBondContact NE1-OD2 2.6Å; W118-D122 WeakPolarHBondContact O-CB 3.28Å; W118-D122 PolarHBondContact O-N 3.16Å; D122-N124 VanDerWaalsContact C-N 3.32Å; D122-N124 PolarHBondContact O-N 2.94Å; D122-K125 PolarHBondContact O-N 3.28Å; D122-K125 WeakPolarHBondContact OD1-CA 3.38Å; D122-K125 PolarHBondContact OD1-N 3.31Å; D122-D126 PolarHBondContact OD1-N 2.94Å; D122-N127 VanDerWaalsContact OD2-CA 3.24Å; D122-N127 WeakPolarHBondContact OD2-CA 3.48Å; D122-N127 PolarHBondContact OD2-N 2.9Å; D122-I129 HydrophobicContact CB-CG1 4.3Å
123	L	92.9	Very high	92.8	Very high	84 Å²	84	60.5 Å²	60.5	44%	0.44	32%	0.316	S	S	.	.	S	Bend	trans	-66	-36.3	-173.6	-60.7	-178.5	0	0	0	111.9	D120 Y121 E133	D120-L123 WeakPolarHBondContact O-CD2 3.4Å; Y121-L123 PolarHBondContact O-N 3.46Å; L123-E133 HydrophobicContact CB-CG 4.24Å; L123-E133 HydrophobicContact CD1-CG 4.38Å; L123-E133 HydrophobicContact CG-CG 4.37Å; L123-E133 PolarHBondContact N-OE1 3.46Å
124	N	95.3	Very high	93.4	Very high	89 Å²	89	59.7 Å²	59.7	48%	0.476	31%	0.31	S	S	.	.	S	Bend	trans	-88.8	-14.2	-176.4	86.7	49.2	0	0	0	113.4	D122 D126 E133	D122-N124 VanDerWaalsContact C-N 3.32Å; D122-N124 PolarHBondContact O-N 2.94Å; N124-D126 PolarHBondContact ND2-OD2 2.74Å; N124-D126 VanDerWaalsContact ND2-OD2 3.09Å; N124-D126 WeakPolarHBondContact OD1-CB 3.25Å; N124-D126 PolarHBondContact OD1-N 3.25Å; N124-D126 PolarHBondContact OD1-OD1 2.91Å; N124-D126 PolarHBondContact OD1-OD2 2.95Å; N124-E133 VanDerWaalsContact CB-OE1 3.31Å; N124-E133 WeakPolarHBondContact CB-OE1 3.4Å; N124-E133 PolarHBondContact N-OE1 3.44Å; N124-E133 PolarHBondContact ND2-OE1 2.85Å
125	K	96	Very high	93.7	Very high	178 Å²	178	62.4 Å²	62.4	77%	0.774	32%	0.322	S	S	*	.			trans	67.1	34.7	178.1	-52.5	-177.2	-178.7	-175.6	0	114.3	D122 N127	D122-K125 PolarHBondContact O-N 3.28Å; D122-K125 WeakPolarHBondContact OD1-CA 3.38Å; D122-K125 PolarHBondContact OD1-N 3.31Å; K125-N127 VanDerWaalsContact C-N 3.28Å
126	D	96.4	Very high	93.7	Very high	84 Å²	84	66.1 Å²	66.1	45%	0.449	33%	0.33	S	S	.	.	S	Bend	trans	-88	2.5	172.6	66.6	10.4	0	0	0	112.9	D122 N124 K128	D122-D126 PolarHBondContact OD1-N 2.94Å; N124-D126 PolarHBondContact ND2-OD2 2.74Å; N124-D126 VanDerWaalsContact ND2-OD2 3.09Å; N124-D126 WeakPolarHBondContact OD1-CB 3.25Å; N124-D126 PolarHBondContact OD1-N 3.25Å; N124-D126 PolarHBondContact OD1-OD1 2.91Å; N124-D126 PolarHBondContact OD1-OD2 2.95Å; D126-K128 PolarHBondContact O-N 3.42Å; D126-K128 WeakPolarHBondContact OD1-CB 3.38Å; D126-K128 PolarHBondContact OD1-N 3.09Å
127	N	96	Very high	93.8	Very high	89 Å²	89	63.4 Å²	63.4	48%	0.476	33%	0.328	S	S	.	.	S	Bend	trans	62.3	30	-178.3	-175	76.1	0	0	0	112.5	D122 K125 R182	D122-N127 VanDerWaalsContact OD2-CA 3.24Å; D122-N127 WeakPolarHBondContact OD2-CA 3.48Å; D122-N127 PolarHBondContact OD2-N 2.9Å; K125-N127 VanDerWaalsContact C-N 3.28Å; N127-R182 PolarHBondContact OD1-NH2 2.92Å
128	K	97.1	Very high	93.9	Very high	62 Å²	62	63.6 Å²	63.6	27%	0.27	33%	0.329	S	S	.	.	S	Bend	trans	-129.3	164.7	161.9	-75.2	169.5	156.3	-94.8	0	108.3	D126 D177 A179 A180	D126-K128 PolarHBondContact O-N 3.42Å; D126-K128 WeakPolarHBondContact OD1-CB 3.38Å; D126-K128 PolarHBondContact OD1-N 3.09Å; K128-D177 IonicContact NZ-OD1 2.96Å; K128-D177 IonicContact NZ-OD2 3.27Å; K128-D177 PolarHBondContact NZ-OD2 3.18Å; K128-A179 HydrophobicContact CB-CB 4.31Å; K128-A179 HydrophobicContact CD-CB 4.14Å; K128-A179 PolarHBondContact NZ-O 3.01Å; K128-A180 WeakPolarHBondContact CA-O 3.34Å
129	I	97.7	Very high	93.6	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	110.1	170.5	-65.8	166.1	0	0	0	106.8	W118 D122 F169 A179 A180 F185	W118-I129 HydrophobicContact CD2-CD1 4.07Å; W118-I129 HydrophobicContact CE3-CD1 3.79Å; W118-I129 HydrophobicContact CH2-CD1 4.05Å; W118-I129 HydrophobicContact CH2-CG1 4.28Å; W118-I129 HydrophobicContact CZ2-CD1 4.34Å; W118-I129 HydrophobicContact CZ2-CG1 4.28Å; W118-I129 HydrophobicContact CZ3-CD1 3.77Å; W118-I129 HydrophobicContact CZ3-CG1 4.48Å; D122-I129 HydrophobicContact CB-CG1 4.3Å; I129-F169 WeakPolarHBondContact O-CZ 3.31Å; I129-A179 CarbonylContact O-C 3.58Å; I129-A180 PolarHBondContact N-O 3.43Å; I129-A180 PolarHBondContact O-N 3.48Å; I129-F185 HydrophobicContact CB-CD2 4.16Å; I129-F185 HydrophobicContact CB-CE2 4.35Å; I129-F185 HydrophobicContact CD1-CD1 3.48Å; I129-F185 VanDerWaalsContact CD1-CD1 3.48Å; I129-F185 HydrophobicContact CD1-CD2 3.9Å; I129-F185 HydrophobicContact CD1-CE1 3.47Å; I129-F185 VanDerWaalsContact CD1-CE1 3.47Å; I129-F185 HydrophobicContact CD1-CE2 3.9Å; I129-F185 HydrophobicContact CD1-CG 3.7Å; I129-F185 HydrophobicContact CD1-CZ 3.69Å; I129-F185 HydrophobicContact CG2-CD2 4.07Å; I129-F185 HydrophobicContact CG2-CE2 3.82Å; I129-F185 HydrophobicContact CG2-CZ 4.41Å
130	S	98.3	Very high	93.4	Very high	29 Å²	29	60 Å²	60	20%	0.203	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	154.3	173.2	64.1	0	0	0	0	111.8	D132 E133 Y134 L178	S130-D132 PolarHBondContact O-N 3.22Å; S130-E133 WeakPolarHBondContact CB-OE2 3.48Å; S130-E133 PolarHBondContact N-OE2 3.49Å; S130-E133 PolarHBondContact O-N 3.18Å; S130-E133 VanDerWaalsContact O-N 3.14Å; S130-E133 WeakPolarHBondContact OG-CB 3.37Å; S130-E133 VanDerWaalsContact OG-CG 3.22Å; S130-E133 WeakPolarHBondContact OG-CG 3.41Å; S130-E133 PolarHBondContact OG-N 3.41Å; S130-E133 PolarHBondContact OG-OE2 3.41Å; S130-Y134 PolarHBondContact O-N 3.38Å; S130-L178 WeakPolarHBondContact CA-O 3.35Å
131	W	97.4	Very high	93.1	Very high	16 Å²	16	61.3 Å²	61.3	6%	0.061	31%	0.309	C	S	.	.	H	α-helix	trans	-54.1	-39	172	170	-116.4	0	0	0	111.9	Y134 K135 L162 D165 E166 F169 L178	W131-Y134 HydrophobicContact CE3-CD1 4.05Å; W131-Y134 HydrophobicContact CH2-CD1 4.41Å; W131-Y134 AromaticContact CZ3-CD1 3.62Å; W131-Y134 HydrophobicContact CZ3-CD1 3.62Å; W131-Y134 HydrophobicContact CZ3-CE1 4.07Å; W131-Y134 PolarHBondContact O-N 2.93Å; W131-K135 HydrophobicContact CZ2-CB 4.38Å; W131-K135 HydrophobicContact CZ2-CD 4.33Å; W131-K135 WeakPolarHBondContact O-CB 3.36Å; W131-K135 PolarHBondContact O-N 3.41Å; W131-L162 HydrophobicContact CZ2-CD2 4.3Å; W131-L162 HydrophobicContact CZ2-CG 4.43Å; W131-D165 HydrophobicContact CH2-CB 4Å; W131-D165 HydrophobicContact CZ3-CB 4.13Å; W131-E166 HydrophobicContact CD2-CG 4.21Å; W131-E166 HydrophobicContact CH2-CB 3.59Å; W131-E166 HydrophobicContact CH2-CG 4.26Å; W131-E166 VanDerWaalsContact CH2-N 3.28Å; W131-E166 HydrophobicContact CZ2-CB 3.39Å; W131-E166 HydrophobicContact CZ2-CG 3.69Å; W131-E166 HydrophobicContact CZ3-CB 4.23Å; W131-F169 HydrophobicContact CB-CD1 4.15Å; W131-F169 HydrophobicContact CB-CE1 4.01Å; W131-F169 HydrophobicContact CB-CZ 4.36Å; W131-F169 HydrophobicContact CE3-CB 3.84Å; W131-F169 HydrophobicContact CE3-CD1 4.36Å; W131-F169 AromaticContact CE3-CD2 3.99Å; W131-F169 HydrophobicContact CE3-CD2 3.99Å; W131-F169 AromaticContact CE3-CG 3.8Å; W131-F169 HydrophobicContact CE3-CG 3.8Å; W131-F169 HydrophobicContact CZ3-CB 4.11Å; W131-F169 HydrophobicContact CZ3-CG 4.47Å; W131-L178 PolarHBondContact N-O 2.95Å
132	D	96.6	Very high	92.6	Very high	113 Å²	113	62.3 Å²	62.3	60%	0.604	31%	0.313	S	S	*	.	H	α-helix	trans	-66.9	-38.8	179.3	-77.9	-28.8	0	0	0	112.3	S130 Q136	S130-D132 PolarHBondContact O-N 3.22Å; D132-Q136 VanDerWaalsContact O-CB 3.26Å; D132-Q136 WeakPolarHBondContact O-CB 3.2Å; D132-Q136 PolarHBondContact O-N 2.64Å
133	E	96.4	Very high	91.9	Very high	12 Å²	12	65.6 Å²	65.6	6%	0.056	33%	0.33	C	S	.	.	H	α-helix	trans	-65.4	-48.2	174.4	-77.8	166.4	139.1	0	0	111.9	Y121 L123 N124 S130 K135 Q136 A137	Y121-E133 WeakPolarHBondContact O-CB 3.36Å; L123-E133 HydrophobicContact CB-CG 4.24Å; L123-E133 HydrophobicContact CD1-CG 4.38Å; L123-E133 HydrophobicContact CG-CG 4.37Å; L123-E133 PolarHBondContact N-OE1 3.46Å; N124-E133 VanDerWaalsContact CB-OE1 3.31Å; N124-E133 WeakPolarHBondContact CB-OE1 3.4Å; N124-E133 PolarHBondContact N-OE1 3.44Å; N124-E133 PolarHBondContact ND2-OE1 2.85Å; S130-E133 WeakPolarHBondContact CB-OE2 3.48Å; S130-E133 PolarHBondContact N-OE2 3.49Å; S130-E133 PolarHBondContact O-N 3.18Å; S130-E133 VanDerWaalsContact O-N 3.14Å; S130-E133 WeakPolarHBondContact OG-CB 3.37Å; S130-E133 VanDerWaalsContact OG-CG 3.22Å; S130-E133 WeakPolarHBondContact OG-CG 3.41Å; S130-E133 PolarHBondContact OG-N 3.41Å; S130-E133 PolarHBondContact OG-OE2 3.41Å; E133-K135 VanDerWaalsContact C-N 3.33Å; E133-K135 PolarHBondContact O-N 2.9Å; E133-Q136 PolarHBondContact O-N 2.79Å; E133-A137 WeakPolarHBondContact O-CB 3.24Å; E133-A137 PolarHBondContact O-N 3.44Å
134	Y	94.4	Very high	91.5	Very high	18 Å²	18	65 Å²	65	7%	0.071	34%	0.337	C	S	.	.	H	α-helix	trans	-57.4	-48.8	175	177.5	-97.7	0	0	0	111	Y121 S130 W131 Q136 A137 T138 Y139 D165 F185 F188	Y121-Y134 AromaticContact CD1-CD2 3.73Å; Y121-Y134 HydrophobicContact CD1-CD2 3.73Å; Y121-Y134 HydrophobicContact CD1-CE2 4.38Å; Y121-Y134 AromaticContact CE1-CD2 3.53Å; Y121-Y134 HydrophobicContact CE1-CD2 3.53Å; Y121-Y134 AromaticContact CE1-CE2 3.74Å; Y121-Y134 HydrophobicContact CE1-CE2 3.74Å; S130-Y134 PolarHBondContact O-N 3.38Å; W131-Y134 HydrophobicContact CE3-CD1 4.05Å; W131-Y134 HydrophobicContact CH2-CD1 4.41Å; W131-Y134 AromaticContact CZ3-CD1 3.62Å; W131-Y134 HydrophobicContact CZ3-CD1 3.62Å; W131-Y134 HydrophobicContact CZ3-CE1 4.07Å; W131-Y134 PolarHBondContact O-N 2.93Å; Y134-Q136 VanDerWaalsContact C-N 3.3Å; Y134-Q136 PolarHBondContact O-N 3.07Å; Y134-A137 PolarHBondContact O-N 3.05Å; Y134-T138 WeakPolarHBondContact CE2-OG1 3.37Å; Y134-T138 WeakPolarHBondContact O-CB 3.45Å; Y134-T138 PolarHBondContact O-N 2.9Å; Y134-T138 PolarHBondContact O-OG1 3.19Å; Y134-T138 VanDerWaalsContact O-OG1 3.06Å; Y134-Y139 HydrophobicContact CE1-CE2 4.23Å; Y134-D165 HydrophobicContact CE1-CB 4.3Å; Y134-D165 PolarHBondContact OH-OD2 3.24Å; Y134-F185 AromaticContact CD2-CE2 3.89Å; Y134-F185 HydrophobicContact CD2-CE2 3.89Å; Y134-F185 HydrophobicContact CD2-CZ 4.14Å; Y134-F185 HydrophobicContact CE2-CE2 4.45Å; Y134-F188 HydrophobicContact CD1-CE1 4.37Å; Y134-F188 HydrophobicContact CD1-CZ 4.22Å; Y134-F188 AromaticContact CD2-CE1 3.98Å; Y134-F188 HydrophobicContact CD2-CE1 3.98Å; Y134-F188 AromaticContact CE1-CE1 3.95Å; Y134-F188 HydrophobicContact CE1-CE1 3.95Å; Y134-F188 AromaticContact CE1-CZ 3.62Å; Y134-F188 HydrophobicContact CE1-CZ 3.62Å; Y134-F188 AromaticContact CE2-CE1 3.53Å; Y134-F188 HydrophobicContact CE2-CE1 3.53Å; Y134-F188 HydrophobicContact CE2-CZ 4.07Å; Y134-F188 HydrophobicContact CG-CE1 4.38Å; Y134-F188 AromaticContact CZ-CE1 3.49Å; Y134-F188 VanDerWaalsContact CZ-CE1 3.49Å; Y134-F188 AromaticContact CZ-CZ 3.53Å
135	K	92.3	Very high	91	Very high	61 Å²	61	63.2 Å²	63.2	27%	0.265	33%	0.327	S	S	.	.	H	α-helix	trans	-60.4	-40.5	178.7	176.7	179.9	169.6	-177.3	0	111.9	W131 E133 Y139 G140 L143 L162	W131-K135 HydrophobicContact CZ2-CB 4.38Å; W131-K135 HydrophobicContact CZ2-CD 4.33Å; W131-K135 WeakPolarHBondContact O-CB 3.36Å; W131-K135 PolarHBondContact O-N 3.41Å; E133-K135 VanDerWaalsContact C-N 3.33Å; E133-K135 PolarHBondContact O-N 2.9Å; K135-Y139 HydrophobicContact CG-CD2 4.46Å; K135-Y139 CarbonylContact O-C 3.58Å; K135-Y139 WeakPolarHBondContact O-CA 3.48Å; K135-Y139 VanDerWaalsContact O-CB 3.27Å; K135-Y139 WeakPolarHBondContact O-CB 3.03Å; K135-Y139 PolarHBondContact O-N 3.27Å; K135-G140 PolarHBondContact O-N 2.95Å; K135-L143 HydrophobicContact CD-CD1 4.46Å; K135-L143 HydrophobicContact CG-CD1 4.06Å; K135-L162 HydrophobicContact CG-CD1 4.48Å
136	Q	90.2	Very high	90.1	Very high	131 Å²	131	58.3 Å²	58.3	61%	0.612	31%	0.314	S	S	*	.	H	α-helix	trans	-68	-44	177.7	-176.5	174.9	13.8	0	0	111.7	D132 E133 Y134 G140	D132-Q136 VanDerWaalsContact O-CB 3.26Å; D132-Q136 WeakPolarHBondContact O-CB 3.2Å; D132-Q136 PolarHBondContact O-N 2.64Å; E133-Q136 PolarHBondContact O-N 2.79Å; Y134-Q136 VanDerWaalsContact C-N 3.3Å; Y134-Q136 PolarHBondContact O-N 3.07Å; Q136-G140 WeakPolarHBondContact O-CA 3.22Å; Q136-G140 PolarHBondContact O-N 3.38Å
137	A	88.6	Confident	89.4	Confident	50 Å²	50	62 Å²	62	41%	0.413	33%	0.328	S	S	.	.	H	α-helix	trans	-65.5	-45.1	179.5	0	0	0	0	0	111.9	Y121 E133 Y134	Y121-A137 HydrophobicContact CD1-CB 3.55Å; Y121-A137 HydrophobicContact CE1-CB 3.72Å; E133-A137 WeakPolarHBondContact O-CB 3.24Å; E133-A137 PolarHBondContact O-N 3.44Å; Y134-A137 PolarHBondContact O-N 3.05Å
138	T	87.1	Confident	88.5	Confident	42 Å²	42	63.3 Å²	63.3	26%	0.258	33%	0.332	S	S	.	.	H	α-helix	trans	-81.8	-43.3	-175.9	-53.5	0	0	0	0	112.7	Y134	Y134-T138 WeakPolarHBondContact CE2-OG1 3.37Å; Y134-T138 WeakPolarHBondContact O-CB 3.45Å; Y134-T138 PolarHBondContact O-N 2.9Å; Y134-T138 PolarHBondContact O-OG1 3.19Å; Y134-T138 VanDerWaalsContact O-OG1 3.06Å
139	Y	85.6	Confident	87.3	Confident	16 Å²	16	61.9 Å²	61.9	6%	0.063	33%	0.326	C	S	.	.	H	α-helix	trans	-114.1	-3.5	-169.9	-57.7	-73.2	0	0	0	114.1	Y134 K135 Y141 Y142 L143 F158 L162 D165	Y134-Y139 HydrophobicContact CE1-CE2 4.23Å; K135-Y139 HydrophobicContact CG-CD2 4.46Å; K135-Y139 CarbonylContact O-C 3.58Å; K135-Y139 WeakPolarHBondContact O-CA 3.48Å; K135-Y139 VanDerWaalsContact O-CB 3.27Å; K135-Y139 WeakPolarHBondContact O-CB 3.03Å; K135-Y139 PolarHBondContact O-N 3.27Å; Y139-Y141 VanDerWaalsContact C-N 3.34Å; Y139-Y141 PolarHBondContact O-N 3.29Å; Y139-Y142 WeakPolarHBondContact O-CB 3.04Å; Y139-Y142 PolarHBondContact O-N 2.72Å; Y139-Y142 VanDerWaalsContact O-N 3.07Å; Y139-L143 WeakPolarHBondContact O-CG 2.8Å; Y139-L143 PolarHBondContact O-N 3.23Å; Y139-F158 HydrophobicContact CD1-CB 4.45Å; Y139-F158 HydrophobicContact CE1-CB 4.5Å; Y139-L162 HydrophobicContact CD2-CD1 4.32Å; Y139-L162 HydrophobicContact CD2-CG 4.47Å; Y139-L162 HydrophobicContact CG-CD1 4.3Å; Y139-D165 PolarHBondContact OH-OD2 3.12Å
140	G	86.3	Confident	85.7	Confident	22 Å²	22	67.7 Å²	67.7	23%	0.227	35%	0.353	C	S	.	.	H	α-helix	trans	-57.6	-40.8	-172.1	0	0	0	0	0	114.1	K135 Q136 L143 A144	K135-G140 PolarHBondContact O-N 2.95Å; Q136-G140 WeakPolarHBondContact O-CA 3.22Å; Q136-G140 PolarHBondContact O-N 3.38Å; G140-L143 PolarHBondContact O-N 3.1Å; G140-A144 VanDerWaalsContact O-CB 3.24Å; G140-A144 WeakPolarHBondContact O-CB 3.24Å; G140-A144 PolarHBondContact O-N 3.12Å
141	Y	83.3	Confident	84.1	Confident	131 Å²	131	72.3 Å²	72.3	51%	0.514	38%	0.375	S	S	.	.	H	α-helix	trans	-62.9	-43.9	176.3	-174.5	-91.1	0	0	0	112	Y139 A144 N145 E148 F149	Y139-Y141 VanDerWaalsContact C-N 3.34Å; Y139-Y141 PolarHBondContact O-N 3.29Å; Y141-A144 PolarHBondContact O-N 3Å; Y141-N145 PolarHBondContact O-N 3.25Å; Y141-N145 VanDerWaalsContact O-N 3.11Å; Y141-N145 PolarHBondContact O-ND2 2.87Å; Y141-E148 PolarHBondContact OH-OE2 2.9Å; Y141-F149 AromaticContact CD1-CE2 3.93Å; Y141-F149 HydrophobicContact CD1-CE2 3.93Å; Y141-F149 AromaticContact CD1-CZ 3.81Å; Y141-F149 HydrophobicContact CD1-CZ 3.81Å; Y141-F149 AromaticContact CE1-CE2 3.82Å; Y141-F149 HydrophobicContact CE1-CE2 3.82Å; Y141-F149 AromaticContact CE1-CZ 3.62Å; Y141-F149 HydrophobicContact CE1-CZ 3.62Å
142	Y	80.4	Confident	81.9	Confident	67 Å²	67	74.8 Å²	74.8	26%	0.263	40%	0.399	S	S	.	.	H	α-helix	trans	-66.3	-43.2	178.7	-63.2	-84.2	0	0	0	111.9	Y139 A144 N145 F149	Y139-Y142 WeakPolarHBondContact O-CB 3.04Å; Y139-Y142 PolarHBondContact O-N 2.72Å; Y139-Y142 VanDerWaalsContact O-N 3.07Å; Y142-A144 VanDerWaalsContact C-N 3.3Å; Y142-A144 PolarHBondContact O-N 3.12Å; Y142-N145 PolarHBondContact O-N 2.94Å; Y142-F149 AromaticContact CD1-CD1 3.95Å; Y142-F149 HydrophobicContact CD1-CD1 3.95Å; Y142-F149 AromaticContact CD1-CD2 3.87Å; Y142-F149 HydrophobicContact CD1-CD2 3.87Å; Y142-F149 AromaticContact CD1-CE1 3.65Å; Y142-F149 HydrophobicContact CD1-CE1 3.65Å; Y142-F149 AromaticContact CD1-CE2 3.59Å; Y142-F149 HydrophobicContact CD1-CE2 3.59Å; Y142-F149 HydrophobicContact CD1-CG 4.04Å; Y142-F149 AromaticContact CD1-CZ 3.45Å; Y142-F149 HydrophobicContact CD1-CZ 3.45Å; Y142-F149 VanDerWaalsContact CD1-CZ 3.45Å; Y142-F149 AromaticContact CE1-CD1 3.98Å; Y142-F149 HydrophobicContact CE1-CD1 3.98Å; Y142-F149 AromaticContact CE1-CE1 3.43Å; Y142-F149 HydrophobicContact CE1-CE1 3.43Å; Y142-F149 VanDerWaalsContact CE1-CE1 3.43Å; Y142-F149 HydrophobicContact CE1-CE2 4.17Å; Y142-F149 AromaticContact CE1-CZ 3.53Å; Y142-F149 HydrophobicContact CE1-CZ 3.53Å; Y142-F149 HydrophobicContact CG-CE2 4.3Å; Y142-F149 HydrophobicContact CG-CZ 4.39Å
143	L	81.9	Confident	80	Confident	83 Å²	83	74.9 Å²	74.9	44%	0.435	40%	0.404	S	S	.	.	H	α-helix	trans	-67.6	-31.3	179.1	-67.4	173.7	0	0	0	112.4	K135 Y139 G140 L162	K135-L143 HydrophobicContact CD-CD1 4.46Å; K135-L143 HydrophobicContact CG-CD1 4.06Å; Y139-L143 WeakPolarHBondContact O-CG 2.8Å; Y139-L143 PolarHBondContact O-N 3.23Å; G140-L143 PolarHBondContact O-N 3.1Å; L143-L162 HydrophobicContact CD2-CD1 4.45Å
144	A	85.1	Confident	77.8	Confident	71 Å²	71	77.9 Å²	77.9	59%	0.587	42%	0.421	S	S	*	.	H	α-helix	trans	-80.6	-26.6	178.7	0	0	0	0	0	113.6	G140 Y141 Y142 P146	G140-A144 VanDerWaalsContact O-CB 3.24Å; G140-A144 WeakPolarHBondContact O-CB 3.24Å; G140-A144 PolarHBondContact O-N 3.12Å; Y141-A144 PolarHBondContact O-N 3Å; Y142-A144 VanDerWaalsContact C-N 3.3Å; Y142-A144 PolarHBondContact O-N 3.12Å; A144-P146 WeakPolarHBondContact O-CD 3.47Å
145	N	83.6	Confident	75.6	Confident	52 Å²	52	81 Å²	81	28%	0.278	44%	0.435	S	S	.	.			trans	-124.2	54.3	-175	-53.4	-75.3	0	0	0	112.5	Y141 Y142 E147 E148 F149	Y141-N145 PolarHBondContact O-N 3.25Å; Y141-N145 VanDerWaalsContact O-N 3.11Å; Y141-N145 PolarHBondContact O-ND2 2.87Å; Y142-N145 PolarHBondContact O-N 2.94Å; N145-E147 PolarHBondContact O-N 3.41Å; N145-E147 VanDerWaalsContact O-N 3.16Å; N145-E148 HydrophobicContact CB-CB 4.39Å; N145-E148 HydrophobicContact CB-CG 4.1Å; N145-E148 PolarHBondContact O-N 3.01Å; N145-E148 VanDerWaalsContact O-N 3.11Å; N145-F149 HydrophobicContact CB-CE2 4.49Å; N145-F149 VanDerWaalsContact O-CD2 3.25Å; N145-F149 WeakPolarHBondContact O-CD2 3.25Å
146	P	78.3	Confident	73.6	Confident	76 Å²	76	84.8 Å²	84.8	49%	0.494	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-62.2	-28.3	-172.7	26.2	-35.5	0	0	0	113.7	A144 E148 F149	A144-P146 WeakPolarHBondContact O-CD 3.47Å; P146-E148 VanDerWaalsContact C-N 3.29Å; P146-E148 PolarHBondContact O-N 3.39Å; P146-F149 PolarHBondContact O-N 2.94Å
147	E	80.3	Confident	72.4	Confident	160 Å²	160	81.6 Å²	81.6	75%	0.748	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-67.2	-27.8	179.1	-60.6	-177.1	-172.4	0	0	112.4	N145 F149	N145-E147 PolarHBondContact O-N 3.41Å; N145-E147 VanDerWaalsContact O-N 3.16Å; E147-F149 PolarHBondContact O-N 3.1Å
148	E	77.9	Confident	71.4	Confident	118 Å²	118	80.8 Å²	80.8	55%	0.551	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-72.8	-17.1	178.1	-64.9	-175.3	-175.3	0	0	112.7	Y141 N145 P146	Y141-E148 PolarHBondContact OH-OE2 2.9Å; N145-E148 HydrophobicContact CB-CB 4.39Å; N145-E148 HydrophobicContact CB-CG 4.1Å; N145-E148 PolarHBondContact O-N 3.01Å; N145-E148 VanDerWaalsContact O-N 3.11Å; P146-E148 VanDerWaalsContact C-N 3.29Å; P146-E148 PolarHBondContact O-N 3.39Å
149	F	71	Confident	70.5	Confident	31 Å²	31	84.9 Å²	84.9	14%	0.136	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-116.8	26.8	-174.5	-57.7	-76.2	0	0	0	112.3	Y141 Y142 N145 P146 E147 D151	Y141-F149 AromaticContact CD1-CE2 3.93Å; Y141-F149 HydrophobicContact CD1-CE2 3.93Å; Y141-F149 AromaticContact CD1-CZ 3.81Å; Y141-F149 HydrophobicContact CD1-CZ 3.81Å; Y141-F149 AromaticContact CE1-CE2 3.82Å; Y141-F149 HydrophobicContact CE1-CE2 3.82Å; Y141-F149 AromaticContact CE1-CZ 3.62Å; Y141-F149 HydrophobicContact CE1-CZ 3.62Å; Y142-F149 AromaticContact CD1-CD1 3.95Å; Y142-F149 HydrophobicContact CD1-CD1 3.95Å; Y142-F149 AromaticContact CD1-CD2 3.87Å; Y142-F149 HydrophobicContact CD1-CD2 3.87Å; Y142-F149 AromaticContact CD1-CE1 3.65Å; Y142-F149 HydrophobicContact CD1-CE1 3.65Å; Y142-F149 AromaticContact CD1-CE2 3.59Å; Y142-F149 HydrophobicContact CD1-CE2 3.59Å; Y142-F149 HydrophobicContact CD1-CG 4.04Å; Y142-F149 AromaticContact CD1-CZ 3.45Å; Y142-F149 HydrophobicContact CD1-CZ 3.45Å; Y142-F149 VanDerWaalsContact CD1-CZ 3.45Å; Y142-F149 AromaticContact CE1-CD1 3.98Å; Y142-F149 HydrophobicContact CE1-CD1 3.98Å; Y142-F149 AromaticContact CE1-CE1 3.43Å; Y142-F149 HydrophobicContact CE1-CE1 3.43Å; Y142-F149 VanDerWaalsContact CE1-CE1 3.43Å; Y142-F149 HydrophobicContact CE1-CE2 4.17Å; Y142-F149 AromaticContact CE1-CZ 3.53Å; Y142-F149 HydrophobicContact CE1-CZ 3.53Å; Y142-F149 HydrophobicContact CG-CE2 4.3Å; Y142-F149 HydrophobicContact CG-CZ 4.39Å; N145-F149 HydrophobicContact CB-CE2 4.49Å; N145-F149 VanDerWaalsContact O-CD2 3.25Å; N145-F149 WeakPolarHBondContact O-CD2 3.25Å; P146-F149 PolarHBondContact O-N 2.94Å; E147-F149 PolarHBondContact O-N 3.1Å; F149-D151 VanDerWaalsContact C-N 3.32Å
150	E	63.9	Low	70	Confident	123 Å²	123	90.1 Å²	90.1	58%	0.575	47%	0.468	S	S	*	.			trans	-75.8	-14.6	-179.8	-79.1	-170.2	176.9	0	0	114.3	K155	E150-K155 WeakPolarHBondContact O-CE 3.34Å; E150-K155 PolarHBondContact O-NZ 3.35Å
151	D	64.6	Low	69.8	Low	125 Å²	125	92.1 Å²	92.1	67%	0.668	47%	0.472	S	S	*	.	S	Bend	trans	-75.6	140	-179.6	-134.3	-14.9	0	0	0	111.8	F149 T153 D154 K155	F149-D151 VanDerWaalsContact C-N 3.32Å; D151-T153 PolarHBondContact O-N 2.95Å; D151-T153 VanDerWaalsContact O-N 3.07Å; D151-D154 PolarHBondContact O-N 3.25Å; D151-K155 PolarHBondContact O-N 3.44Å
152	A	52.2	Low	70	Confident	68 Å²	68	87.2 Å²	87.2	56%	0.562	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.5	-160.3	0	0	0	0	0	115.4
153	T	55.6	Low	70.5	Confident	116 Å²	116	87.3 Å²	87.3	71%	0.712	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-34	176.8	35.7	0	0	0	0	113.1	D151	D151-T153 PolarHBondContact O-N 2.95Å; D151-T153 VanDerWaalsContact O-N 3.07Å
154	D	50.4	Low	70.9	Confident	75 Å²	75	85 Å²	85	40%	0.401	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-85	-16.9	177.1	-71.2	-29.5	0	0	0	112.5	D151 F156 S157	D151-D154 PolarHBondContact O-N 3.25Å; D154-F156 PolarHBondContact O-N 3.1Å; D154-S157 PolarHBondContact O-N 3.34Å; D154-S157 PolarHBondContact O-OG 3.14Å
155	K	49	Very low	71.3	Confident	84 Å²	84	82 Å²	82	37%	0.365	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-64.1	-16.8	173.2	-79.2	177.2	171.3	159	0	114	E150 D151	E150-K155 WeakPolarHBondContact O-CE 3.34Å; E150-K155 PolarHBondContact O-NZ 3.35Å; D151-K155 PolarHBondContact O-N 3.44Å
156	F	50.2	Low	71.9	Confident	139 Å²	139	82.3 Å²	82.3	61%	0.61	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-81.9	-20	178.4	-108.2	-99.4	0	0	0	113.8	D154 K160	D154-F156 PolarHBondContact O-N 3.1Å; F156-K160 HydrophobicContact CD1-CD 4.27Å
157	S	64.2	Low	72.7	Confident	64 Å²	64	82.1 Å²	82.1	45%	0.448	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-34.8	-167.4	73	0	0	0	0	115.7	D154 M161	D154-S157 PolarHBondContact O-N 3.34Å; D154-S157 PolarHBondContact O-OG 3.14Å; S157-M161 VanDerWaalsContact O-CB 3.28Å; S157-M161 WeakPolarHBondContact O-CB 3.34Å; S157-M161 WeakPolarHBondContact O-CG 3.44Å
158	F	67.6	Low	73.5	Confident	33 Å²	33	76.3 Å²	76.3	15%	0.145	38%	0.383	C	S	.	.	H	α-helix	trans	-100.1	-33.6	-178.3	83.3	-90	0	0	0	114.4	Y139 K160 M161 L162	Y139-F158 HydrophobicContact CD1-CB 4.45Å; Y139-F158 HydrophobicContact CE1-CB 4.5Å; F158-K160 VanDerWaalsContact C-N 3.27Å; F158-K160 PolarHBondContact O-N 3.4Å; F158-M161 PolarHBondContact O-N 2.88Å; F158-L162 WeakPolarHBondContact O-CB 3.36Å; F158-L162 PolarHBondContact O-N 3.27Å
159	K	69.8	Low	74.5	Confident	128 Å²	128	70.8 Å²	70.8	56%	0.557	36%	0.357	S	S	*	.	H	α-helix	trans	-67.4	-29.1	-177.5	-74	-172	178.3	-178.5	0	112.9	P163	K159-P163 WeakPolarHBondContact O-CD 3.5Å; K159-P163 WeakPolarHBondContact O-CG 3.47Å
160	K	75.5	Confident	75.8	Confident	127 Å²	127	74.1 Å²	74.1	55%	0.552	37%	0.372	S	S	*	.	H	α-helix	trans	-82.6	-38.8	172.6	-69.4	-170	172.2	-164	0	111.8	F156 F158 P163 R164	F156-K160 HydrophobicContact CD1-CD 4.27Å; F158-K160 VanDerWaalsContact C-N 3.27Å; F158-K160 PolarHBondContact O-N 3.4Å; K160-P163 WeakPolarHBondContact O-CD 3.44Å; K160-P163 WeakPolarHBondContact O-CG 3.49Å; K160-R164 WeakPolarHBondContact O-CB 3.5Å; K160-R164 PolarHBondContact O-N 2.78Å
161	M	81.4	Confident	77.4	Confident	63 Å²	63	70 Å²	70	31%	0.31	36%	0.359	S	S	.	.	H	α-helix	trans	-73	-42	-175.5	-69	-65.3	-64.5	0	0	113.6	S157 F158 R164 D165	S157-M161 VanDerWaalsContact O-CB 3.28Å; S157-M161 WeakPolarHBondContact O-CB 3.34Å; S157-M161 WeakPolarHBondContact O-CG 3.44Å; F158-M161 PolarHBondContact O-N 2.88Å; M161-R164 WeakPolarHBondContact O-CB 3.45Å; M161-R164 PolarHBondContact O-N 2.88Å; M161-R164 VanDerWaalsContact O-N 3.14Å; M161-D165 WeakPolarHBondContact O-CB 3.44Å; M161-D165 PolarHBondContact O-N 3.15Å
162	L	87.1	Confident	78.9	Confident	29 Å²	29	64.1 Å²	64.1	15%	0.152	33%	0.327	C	S	.	.	H	α-helix	trans	-56.3	-51	-179	-172.2	154.4	0	0	0	113.6	W131 K135 Y139 L143 F158 R164 E166	W131-L162 HydrophobicContact CZ2-CD2 4.3Å; W131-L162 HydrophobicContact CZ2-CG 4.43Å; K135-L162 HydrophobicContact CG-CD1 4.48Å; Y139-L162 HydrophobicContact CD2-CD1 4.32Å; Y139-L162 HydrophobicContact CD2-CG 4.47Å; Y139-L162 HydrophobicContact CG-CD1 4.3Å; L143-L162 HydrophobicContact CD2-CD1 4.45Å; F158-L162 WeakPolarHBondContact O-CB 3.36Å; F158-L162 PolarHBondContact O-N 3.27Å; L162-R164 VanDerWaalsContact C-N 3.32Å; L162-R164 PolarHBondContact O-N 3.01Å; L162-E166 WeakPolarHBondContact O-CB 3.49Å; L162-E166 PolarHBondContact O-N 3.36Å
163	P	90.6	Very high	81.1	Confident	68 Å²	68	61.4 Å²	61.4	44%	0.442	30%	0.304	S	S	.	.	H	α-helix	trans	-68.5	-29.6	177.2	26	-34.1	0	0	0	113.2	K159 K160 R167	K159-P163 WeakPolarHBondContact O-CD 3.5Å; K159-P163 WeakPolarHBondContact O-CG 3.47Å; K160-P163 WeakPolarHBondContact O-CD 3.44Å; K160-P163 WeakPolarHBondContact O-CG 3.49Å; P163-R167 WeakPolarHBondContact O-CB 3.46Å; P163-R167 PolarHBondContact O-N 2.87Å
164	R	90.9	Very high	83.1	Confident	36 Å²	36	61.7 Å²	61.7	14%	0.136	30%	0.3	C	S	.	.	H	α-helix	trans	-65.3	-50.1	174.2	174.3	175.5	174.2	167.1	-1.6	111	K160 M161 L162 E166 R167 R168 E204 D208	K160-R164 WeakPolarHBondContact O-CB 3.5Å; K160-R164 PolarHBondContact O-N 2.78Å; M161-R164 WeakPolarHBondContact O-CB 3.45Å; M161-R164 PolarHBondContact O-N 2.88Å; M161-R164 VanDerWaalsContact O-N 3.14Å; L162-R164 VanDerWaalsContact C-N 3.32Å; L162-R164 PolarHBondContact O-N 3.01Å; R164-E166 VanDerWaalsContact C-N 3.33Å; R164-E166 PolarHBondContact O-N 3.35Å; R164-R167 WeakPolarHBondContact O-CB 3.27Å; R164-R167 PolarHBondContact O-N 2.88Å; R164-R168 PolarHBondContact O-N 3.42Å; R164-E204 HydrophobicContact CG-CG 3.98Å; R164-E204 IonicContact CZ-OE2 3.62Å; R164-E204 VanDerWaalsContact CZ-OE2 3.27Å; R164-E204 IonicContact NE-OE1 3.35Å; R164-E204 IonicContact NE-OE2 3.33Å; R164-E204 PolarHBondContact NE-OE2 3.49Å; R164-E204 IonicContact NH2-OE2 3.71Å; R164-E204 PolarHBondContact NH2-OE2 2.76Å; R164-D208 IonicContact CZ-OD1 3.11Å; R164-D208 IonicContact CZ-OD2 3.67Å; R164-D208 VanDerWaalsContact NH1-CG 3.27Å; R164-D208 IonicContact NH1-OD1 3.26Å; R164-D208 PolarHBondContact NH1-OD1 2.86Å; R164-D208 IonicContact NH1-OD2 2.75Å; R164-D208 PolarHBondContact NH1-OD2 2.88Å; R164-D208 VanDerWaalsContact NH1-OD2 3.16Å; R164-D208 IonicContact NH2-OD1 2.79Å; R164-D208 IonicContact NH2-OD2 2.64Å; R164-D208 PolarHBondContact NH2-OD2 2.95Å
165	D	92.9	Very high	85.3	Confident	8 Å²	8	62.3 Å²	62.3	4%	0.043	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-40.2	176	-73.7	1.2	0	0	0	111.3	W131 Y134 Y139 M161 R167 R168 F169 F188	W131-D165 HydrophobicContact CH2-CB 4Å; W131-D165 HydrophobicContact CZ3-CB 4.13Å; Y134-D165 HydrophobicContact CE1-CB 4.3Å; Y134-D165 PolarHBondContact OH-OD2 3.24Å; Y139-D165 PolarHBondContact OH-OD2 3.12Å; M161-D165 WeakPolarHBondContact O-CB 3.44Å; M161-D165 PolarHBondContact O-N 3.15Å; D165-R167 VanDerWaalsContact C-N 3.31Å; D165-R167 PolarHBondContact O-N 3.23Å; D165-R168 PolarHBondContact O-N 3.1Å; D165-F169 VanDerWaalsContact O-CB 3.26Å; D165-F169 WeakPolarHBondContact O-CB 3.5Å; D165-F169 PolarHBondContact O-N 3.05Å; D165-F188 HydrophobicContact CB-CE2 4.39Å; D165-F188 HydrophobicContact CB-CZ 4.31Å; D165-F188 WeakPolarHBondContact O-CE2 3.4Å
166	E	95.7	Very high	87.6	Confident	57 Å²	57	61.1 Å²	61.1	27%	0.266	31%	0.314	S	S	.	.	H	α-helix	trans	-61.3	-42.3	176.5	-169.1	176.6	162.2	0	0	111.3	W131 L162 R164 F169 K170	W131-E166 HydrophobicContact CD2-CG 4.21Å; W131-E166 HydrophobicContact CH2-CB 3.59Å; W131-E166 HydrophobicContact CH2-CG 4.26Å; W131-E166 VanDerWaalsContact CH2-N 3.28Å; W131-E166 HydrophobicContact CZ2-CB 3.39Å; W131-E166 HydrophobicContact CZ2-CG 3.69Å; W131-E166 HydrophobicContact CZ3-CB 4.23Å; L162-E166 WeakPolarHBondContact O-CB 3.49Å; L162-E166 PolarHBondContact O-N 3.36Å; R164-E166 VanDerWaalsContact C-N 3.33Å; R164-E166 PolarHBondContact O-N 3.35Å; E166-F169 PolarHBondContact O-N 3.39Å; E166-K170 HydrophobicContact CG-CD 4.42Å; E166-K170 WeakPolarHBondContact O-CB 3.36Å; E166-K170 VanDerWaalsContact O-CG 3.3Å; E166-K170 WeakPolarHBondContact O-CG 3.3Å; E166-K170 PolarHBondContact O-N 3.31Å; E166-K170 WeakPolarHBondContact OE1-CE 3.32Å; E166-K170 IonicContact OE1-NZ 2.71Å; E166-K170 PolarHBondContact OE1-NZ 3.06Å
167	R	96.9	Very high	89.8	Confident	73 Å²	73	58 Å²	58	28%	0.275	30%	0.304	S	S	.	.	H	α-helix	trans	-64.2	-45.7	176.1	179.1	-177.4	63.8	-147.9	0.2	111	P163 R164 D165 K170 A171 I200 E207	P163-R167 WeakPolarHBondContact O-CB 3.46Å; P163-R167 PolarHBondContact O-N 2.87Å; R164-R167 WeakPolarHBondContact O-CB 3.27Å; R164-R167 PolarHBondContact O-N 2.88Å; D165-R167 VanDerWaalsContact C-N 3.31Å; D165-R167 PolarHBondContact O-N 3.23Å; R167-K170 PolarHBondContact O-N 2.65Å; R167-A171 PolarHBondContact O-N 3.02Å; R167-I200 HydrophobicContact CG-CD1 4.15Å; R167-E207 IonicContact CZ-OE1 2.74Å; R167-E207 IonicContact CZ-OE2 3.49Å; R167-E207 IonicContact NH1-OE1 2.74Å; R167-E207 PolarHBondContact NH1-OE1 3.12Å; R167-E207 IonicContact NH1-OE2 4Å; R167-E207 PolarHBondContact NH1-OE2 3.48Å; R167-E207 IonicContact NH2-OE1 3.79Å; R167-E207 PolarHBondContact NH2-OE1 3.14Å; R167-E207 IonicContact NH2-OE2 3.62Å; R167-E207 PolarHBondContact NH2-OE2 3.22Å
168	R	96.9	Very high	91.4	Very high	38 Å²	38	58.6 Å²	58.6	14%	0.143	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-43	177.3	-172.4	-168.6	-59.5	179.4	1.2	111.3	R164 D165 K170 A171 A172 F188 M197 I200 E204	R164-R168 PolarHBondContact O-N 3.42Å; D165-R168 PolarHBondContact O-N 3.1Å; R168-K170 VanDerWaalsContact C-N 3.33Å; R168-K170 PolarHBondContact O-N 3.38Å; R168-A171 WeakPolarHBondContact O-CB 3.35Å; R168-A171 PolarHBondContact O-N 3.28Å; R168-A171 VanDerWaalsContact O-N 3.1Å; R168-A172 PolarHBondContact O-N 3.48Å; R168-F188 HydrophobicContact CB-CD2 4.06Å; R168-F188 HydrophobicContact CB-CE2 4.02Å; R168-F188 WeakPolarHBondContact CD-O 3.17Å; R168-F188 HydrophobicContact CG-CD2 3.77Å; R168-F188 HydrophobicContact CG-CE2 4.13Å; R168-F188 PolarHBondContact NH1-O 3.33Å; R168-M197 HydrophobicContact CG-CE 3.58Å; R168-I200 HydrophobicContact CB-CG2 4Å; R168-I200 HydrophobicContact CG-CG2 3.81Å; R168-E204 IonicContact CZ-OE1 3.68Å; R168-E204 IonicContact CZ-OE2 3.87Å; R168-E204 IonicContact NE-OE1 2.91Å; R168-E204 PolarHBondContact NE-OE1 3.17Å; R168-E204 IonicContact NE-OE2 3.81Å; R168-E204 IonicContact NH2-OE1 3.74Å; R168-E204 PolarHBondContact NH2-OE1 2.91Å; R168-E204 IonicContact NH2-OE2 2.78Å; R168-E204 PolarHBondContact NH2-OE2 3.42Å
169	F	97.6	Very high	92.8	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.009	30%	0.302	C	S	.	.	H	α-helix	trans	-59.9	-44.9	177.3	-169.3	-79.2	0	0	0	111	I129 W131 D165 E166 A171 A172 D173 A180 F185 F188	I129-F169 WeakPolarHBondContact O-CZ 3.31Å; W131-F169 HydrophobicContact CB-CD1 4.15Å; W131-F169 HydrophobicContact CB-CE1 4.01Å; W131-F169 HydrophobicContact CB-CZ 4.36Å; W131-F169 HydrophobicContact CE3-CB 3.84Å; W131-F169 HydrophobicContact CE3-CD1 4.36Å; W131-F169 AromaticContact CE3-CD2 3.99Å; W131-F169 HydrophobicContact CE3-CD2 3.99Å; W131-F169 AromaticContact CE3-CG 3.8Å; W131-F169 HydrophobicContact CE3-CG 3.8Å; W131-F169 HydrophobicContact CZ3-CB 4.11Å; W131-F169 HydrophobicContact CZ3-CG 4.47Å; D165-F169 VanDerWaalsContact O-CB 3.26Å; D165-F169 WeakPolarHBondContact O-CB 3.5Å; D165-F169 PolarHBondContact O-N 3.05Å; E166-F169 PolarHBondContact O-N 3.39Å; F169-A171 VanDerWaalsContact C-N 3.29Å; F169-A171 PolarHBondContact O-N 3.26Å; F169-A172 PolarHBondContact O-N 3.5Å; F169-D173 WeakPolarHBondContact O-CB 3.48Å; F169-D173 PolarHBondContact O-N 2.86Å; F169-A180 HydrophobicContact CE1-CB 4.37Å; F169-A180 HydrophobicContact CE2-CB 3.96Å; F169-A180 HydrophobicContact CZ-CB 3.61Å; F169-F185 HydrophobicContact CE2-CD2 4.39Å; F169-F188 HydrophobicContact CB-CD2 3.92Å; F169-F188 HydrophobicContact CB-CE2 3.89Å; F169-F188 HydrophobicContact CD2-CD1 4.33Å; F169-F188 HydrophobicContact CD2-CD2 4.21Å; F169-F188 HydrophobicContact CD2-CE1 4.43Å; F169-F188 HydrophobicContact CD2-CE2 4.33Å; F169-F188 HydrophobicContact CD2-CG 4.22Å; F169-F188 HydrophobicContact CD2-CZ 4.44Å
170	K	97.9	Very high	94.2	Very high	101 Å²	101	51.8 Å²	51.8	44%	0.439	28%	0.276	S	S	.	.	H	α-helix	trans	-64.8	-30.1	174.8	-73.9	172	-174.8	167.3	0	113.7	E166 R167 R168 L178	E166-K170 HydrophobicContact CG-CD 4.42Å; E166-K170 WeakPolarHBondContact O-CB 3.36Å; E166-K170 VanDerWaalsContact O-CG 3.3Å; E166-K170 WeakPolarHBondContact O-CG 3.3Å; E166-K170 PolarHBondContact O-N 3.31Å; E166-K170 WeakPolarHBondContact OE1-CE 3.32Å; E166-K170 IonicContact OE1-NZ 2.71Å; E166-K170 PolarHBondContact OE1-NZ 3.06Å; R167-K170 PolarHBondContact O-N 2.65Å; R168-K170 VanDerWaalsContact C-N 3.33Å; R168-K170 PolarHBondContact O-N 3.38Å; K170-L178 HydrophobicContact CG-CD2 3.86Å
171	A	97.7	Very high	95.2	Very high	36 Å²	36	48.9 Å²	48.9	30%	0.298	27%	0.266	S	S	.	.	H	α-helix	trans	-74.5	-34.1	175.8	0	0	0	0	0	112	R167 R168 F169 M197 I200	R167-A171 PolarHBondContact O-N 3.02Å; R168-A171 WeakPolarHBondContact O-CB 3.35Å; R168-A171 PolarHBondContact O-N 3.28Å; R168-A171 VanDerWaalsContact O-N 3.1Å; F169-A171 VanDerWaalsContact C-N 3.29Å; F169-A171 PolarHBondContact O-N 3.26Å; A171-M197 VanDerWaalsContact C-SD 3.56Å; A171-M197 HydrophobicContact CB-CE 4.08Å; A171-M197 HydrophobicContact CB-SD 3.93Å; A171-I200 HydrophobicContact CB-CD1 3.78Å; A171-I200 HydrophobicContact CB-CG1 3.53Å
172	A	97.6	Very high	95.8	Very high	1 Å²	1	51 Å²	51	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-74.6	-31	174.5	0	0	0	0	0	112.8	R168 F169 L174 E184 S187 F188 M197	R168-A172 PolarHBondContact O-N 3.48Å; F169-A172 PolarHBondContact O-N 3.5Å; A172-L174 PolarHBondContact O-N 3.08Å; A172-E184 WeakPolarHBondContact CB-O 3.35Å; A172-E184 WeakPolarHBondContact O-CB 3.14Å; A172-E184 WeakPolarHBondContact O-CG 3.25Å; A172-S187 WeakPolarHBondContact CB-OG 3.42Å; A172-F188 HydrophobicContact CB-CB 3.77Å; A172-M197 HydrophobicContact CB-CE 3.96Å; A172-M197 HydrophobicContact CB-SD 4.03Å
173	D	97.8	Very high	96.2	Very high	12 Å²	12	55.3 Å²	55.3	6%	0.064	29%	0.29	C	S	.	.			trans	-72.7	89	176.2	177.3	15.7	0	0	0	111.2	F169 N175 G176 D177 L178	F169-D173 WeakPolarHBondContact O-CB 3.48Å; F169-D173 PolarHBondContact O-N 2.86Å; D173-N175 VanDerWaalsContact C-N 3.26Å; D173-N175 PolarHBondContact O-N 2.81Å; D173-N175 PolarHBondContact OD1-N 3.11Å; D173-G176 VanDerWaalsContact CG-N 3.34Å; D173-G176 WeakPolarHBondContact OD1-CA 3.41Å; D173-G176 PolarHBondContact OD1-N 3.09Å; D173-G176 WeakPolarHBondContact OD2-CA 3.46Å; D173-D177 PolarHBondContact OD1-N 3.34Å; D173-D177 PolarHBondContact OD2-N 2.73Å; D173-L178 VanDerWaalsContact OD2-CA 3.32Å; D173-L178 WeakPolarHBondContact OD2-CA 3.39Å; D173-L178 PolarHBondContact OD2-N 2.92Å
174	L	97.1	Very high	96.6	Very high	122 Å²	122	52.5 Å²	52.5	64%	0.639	27%	0.271	S	S	*	.	S	Bend	trans	-70.4	-26.7	-176.1	-64.2	-179.9	0	0	0	112.2	A172 E184	A172-L174 PolarHBondContact O-N 3.08Å; L174-E184 PolarHBondContact N-OE1 3.11Å; L174-E184 VanDerWaalsContact N-OE1 3.09Å
175	N	97.1	Very high	96.8	Very high	88 Å²	88	50.8 Å²	50.8	47%	0.471	27%	0.265	S	S	.	.	S	Bend	trans	-95.2	-18.3	-175.1	83.3	66.4	0	0	0	112.9	D173 D177 E184	D173-N175 VanDerWaalsContact C-N 3.26Å; D173-N175 PolarHBondContact O-N 2.81Å; D173-N175 PolarHBondContact OD1-N 3.11Å; N175-D177 PolarHBondContact ND2-OD1 2.97Å; N175-D177 WeakPolarHBondContact OD1-CB 3.43Å; N175-D177 PolarHBondContact OD1-N 2.88Å; N175-D177 PolarHBondContact OD1-OD1 3.42Å; N175-D177 VanDerWaalsContact OD1-OD1 3.05Å; N175-D177 PolarHBondContact OD1-OD2 3.12Å; N175-E184 PolarHBondContact N-OE1 2.79Å; N175-E184 PolarHBondContact ND2-OE1 2.95Å; N175-E184 PolarHBondContact ND2-OE2 3.45Å
176	G	97	Very high	96.8	Very high	58 Å²	58	50.4 Å²	50.4	60%	0.598	26%	0.263	S	S	*	.	S	Bend	trans	79.8	18.7	173.5	0	0	0	0	0	114.7	D173 L178	D173-G176 VanDerWaalsContact CG-N 3.34Å; D173-G176 WeakPolarHBondContact OD1-CA 3.41Å; D173-G176 PolarHBondContact OD1-N 3.09Å; D173-G176 WeakPolarHBondContact OD2-CA 3.46Å; G176-L178 VanDerWaalsContact C-N 3.35Å
177	D	97.4	Very high	96.8	Very high	74 Å²	74	47.8 Å²	47.8	40%	0.396	25%	0.25	S	S	.	.	S	Bend	trans	-87.7	-1.2	-179.8	74.2	-7.1	0	0	0	114	K128 D173 N175 A179	K128-D177 IonicContact NZ-OD1 2.96Å; K128-D177 IonicContact NZ-OD2 3.27Å; K128-D177 PolarHBondContact NZ-OD2 3.18Å; D173-D177 PolarHBondContact OD1-N 3.34Å; D173-D177 PolarHBondContact OD2-N 2.73Å; N175-D177 PolarHBondContact ND2-OD1 2.97Å; N175-D177 WeakPolarHBondContact OD1-CB 3.43Å; N175-D177 PolarHBondContact OD1-N 2.88Å; N175-D177 PolarHBondContact OD1-OD1 3.42Å; N175-D177 VanDerWaalsContact OD1-OD1 3.05Å; N175-D177 PolarHBondContact OD1-OD2 3.12Å; D177-A179 PolarHBondContact O-N 2.75Å; D177-A179 WeakPolarHBondContact OD1-CA 3.38Å; D177-A179 PolarHBondContact OD1-N 2.87Å; D177-A179 VanDerWaalsContact OD1-O 3.07Å
178	L	96.9	Very high	96.7	Very high	77 Å²	77	44.3 Å²	44.3	40%	0.403	24%	0.238	S	C	.	.	S	Bend	trans	56.2	26	-173.3	-61	175.2	0	0	0	113.3	S130 W131 K170 D173 G176	S130-L178 WeakPolarHBondContact CA-O 3.35Å; W131-L178 PolarHBondContact N-O 2.95Å; K170-L178 HydrophobicContact CG-CD2 3.86Å; D173-L178 VanDerWaalsContact OD2-CA 3.32Å; D173-L178 WeakPolarHBondContact OD2-CA 3.39Å; D173-L178 PolarHBondContact OD2-N 2.92Å; G176-L178 VanDerWaalsContact C-N 3.35Å
179	A	97.6	Very high	96.4	Very high	16 Å²	16	44.7 Å²	44.7	13%	0.132	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	88.8	179.1	0	0	0	0	0	111.1	K128 I129 D177 D181	K128-A179 HydrophobicContact CB-CB 4.31Å; K128-A179 HydrophobicContact CD-CB 4.14Å; K128-A179 PolarHBondContact NZ-O 3.01Å; I129-A179 CarbonylContact O-C 3.58Å; D177-A179 PolarHBondContact O-N 2.75Å; D177-A179 WeakPolarHBondContact OD1-CA 3.38Å; D177-A179 PolarHBondContact OD1-N 2.87Å; D177-A179 VanDerWaalsContact OD1-O 3.07Å; A179-D181 PolarHBondContact O-N 3.16Å
180	A	97.6	Very high	95.9	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.017	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	127.9	-174.3	0	0	0	0	0	111.6	K128 I129 F169 E184 F185	K128-A180 WeakPolarHBondContact CA-O 3.34Å; I129-A180 PolarHBondContact N-O 3.43Å; I129-A180 PolarHBondContact O-N 3.48Å; F169-A180 HydrophobicContact CE1-CB 4.37Å; F169-A180 HydrophobicContact CE2-CB 3.96Å; F169-A180 HydrophobicContact CZ-CB 3.61Å; A180-E184 WeakPolarHBondContact CA-OE2 3.44Å; A180-E184 HydrophobicContact CB-CB 3.88Å; A180-F185 HydrophobicContact CB-CB 3.96Å; A180-F185 HydrophobicContact CB-CD2 4.39Å
181	D	97.2	Very high	95.5	Very high	66 Å²	66	40.4 Å²	40.4	35%	0.353	22%	0.224	S	C	.	.			trans	-74.6	-174.3	163.1	75.8	28.2	0	0	0	111.8	A179 E183 E184 F185	A179-D181 PolarHBondContact O-N 3.16Å; D181-E183 VanDerWaalsContact C-N 3.34Å; D181-E183 PolarHBondContact O-N 3.43Å; D181-E183 WeakPolarHBondContact OD1-CA 3.36Å; D181-E183 PolarHBondContact OD1-N 3.23Å; D181-E184 PolarHBondContact N-OE2 2.78Å; D181-E184 PolarHBondContact OD1-N 3.13Å; D181-F185 VanDerWaalsContact O-CB 3.25Å; D181-F185 WeakPolarHBondContact O-CB 3.37Å; D181-F185 PolarHBondContact O-N 3.05Å
182	R	95	Very high	94.9	Very high	108 Å²	108	42.8 Å²	42.8	41%	0.408	23%	0.229	S	C	.	.	H	α-helix	trans	-62.4	-39.6	-177.6	-72.4	-172.9	-177.5	-77.1	-13.7	112.9	W118 N127 T186	W118-R182 HydrophobicContact CE3-CG 4.16Å; W118-R182 HydrophobicContact CH2-CB 4.21Å; W118-R182 HydrophobicContact CH2-CG 3.52Å; W118-R182 HydrophobicContact CZ2-CG 3.96Å; W118-R182 HydrophobicContact CZ3-CB 4.16Å; W118-R182 HydrophobicContact CZ3-CG 3.64Å; N127-R182 PolarHBondContact OD1-NH2 2.92Å; R182-T186 WeakPolarHBondContact O-CB 3.43Å; R182-T186 PolarHBondContact O-N 3.22Å; R182-T186 PolarHBondContact O-OG1 2.8Å
183	E	95.6	Very high	94.3	Very high	118 Å²	118	47.5 Å²	47.5	55%	0.551	25%	0.251	S	S	*	.	H	α-helix	trans	-75.3	-44.3	-177.5	-172.8	167.5	-170	0	0	110.3	D181 F185 T186 S187 F194	D181-E183 VanDerWaalsContact C-N 3.34Å; D181-E183 PolarHBondContact O-N 3.43Å; D181-E183 WeakPolarHBondContact OD1-CA 3.36Å; D181-E183 PolarHBondContact OD1-N 3.23Å; E183-F185 PolarHBondContact O-N 2.93Å; E183-T186 WeakPolarHBondContact O-CB 3.22Å; E183-T186 PolarHBondContact O-N 3.36Å; E183-S187 PolarHBondContact O-N 2.93Å; E183-F194 HydrophobicContact CG-CE1 4.26Å
184	E	97.7	Very high	94	Very high	9 Å²	9	48 Å²	48	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-49.4	175.6	-64.2	173.7	145.3	0	0	110.1	A172 L174 N175 A180 D181 T186 S187 F188	A172-E184 WeakPolarHBondContact CB-O 3.35Å; A172-E184 WeakPolarHBondContact O-CB 3.14Å; A172-E184 WeakPolarHBondContact O-CG 3.25Å; L174-E184 PolarHBondContact N-OE1 3.11Å; L174-E184 VanDerWaalsContact N-OE1 3.09Å; N175-E184 PolarHBondContact N-OE1 2.79Å; N175-E184 PolarHBondContact ND2-OE1 2.95Å; N175-E184 PolarHBondContact ND2-OE2 3.45Å; A180-E184 WeakPolarHBondContact CA-OE2 3.44Å; A180-E184 HydrophobicContact CB-CB 3.88Å; D181-E184 PolarHBondContact N-OE2 2.78Å; D181-E184 PolarHBondContact OD1-N 3.13Å; E184-T186 VanDerWaalsContact C-N 3.31Å; E184-T186 PolarHBondContact O-N 3.2Å; E184-S187 PolarHBondContact O-N 3.4Å; E184-S187 VanDerWaalsContact O-N 3.15Å; E184-S187 PolarHBondContact O-OG 3.46Å; E184-F188 PolarHBondContact O-N 2.8Å
185	F	96	Very high	93.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.1	-31.3	179	-166.1	-109.9	0	0	0	112.9	V114 V117 W118 Y121 I129 Y134 F169 A180 D181 E183 F188 L189	V114-F185 HydrophobicContact CG1-CD1 4.03Å; V117-F185 HydrophobicContact CG2-CE1 4.46Å; W118-F185 HydrophobicContact CE3-CD1 4.28Å; W118-F185 HydrophobicContact CZ3-CB 3.99Å; W118-F185 HydrophobicContact CZ3-CD1 4.04Å; W118-F185 HydrophobicContact CZ3-CG 4.32Å; Y121-F185 HydrophobicContact CD2-CE1 4.09Å; Y121-F185 AromaticContact CD2-CZ 3.77Å; Y121-F185 HydrophobicContact CD2-CZ 3.77Å; Y121-F185 HydrophobicContact CE2-CZ 4.16Å; Y121-F185 HydrophobicContact CG-CZ 4.01Å; I129-F185 HydrophobicContact CB-CD2 4.16Å; I129-F185 HydrophobicContact CB-CE2 4.35Å; I129-F185 HydrophobicContact CD1-CD1 3.48Å; I129-F185 VanDerWaalsContact CD1-CD1 3.48Å; I129-F185 HydrophobicContact CD1-CD2 3.9Å; I129-F185 HydrophobicContact CD1-CE1 3.47Å; I129-F185 VanDerWaalsContact CD1-CE1 3.47Å; I129-F185 HydrophobicContact CD1-CE2 3.9Å; I129-F185 HydrophobicContact CD1-CG 3.7Å; I129-F185 HydrophobicContact CD1-CZ 3.69Å; I129-F185 HydrophobicContact CG2-CD2 4.07Å; I129-F185 HydrophobicContact CG2-CE2 3.82Å; I129-F185 HydrophobicContact CG2-CZ 4.41Å; Y134-F185 AromaticContact CD2-CE2 3.89Å; Y134-F185 HydrophobicContact CD2-CE2 3.89Å; Y134-F185 HydrophobicContact CD2-CZ 4.14Å; Y134-F185 HydrophobicContact CE2-CE2 4.45Å; F169-F185 HydrophobicContact CE2-CD2 4.39Å; A180-F185 HydrophobicContact CB-CB 3.96Å; A180-F185 HydrophobicContact CB-CD2 4.39Å; D181-F185 VanDerWaalsContact O-CB 3.25Å; D181-F185 WeakPolarHBondContact O-CB 3.37Å; D181-F185 PolarHBondContact O-N 3.05Å; E183-F185 PolarHBondContact O-N 2.93Å; F185-F188 AromaticContact CD2-CD1 3.93Å; F185-F188 HydrophobicContact CD2-CD1 3.93Å; F185-F188 AromaticContact CE2-CD1 3.78Å; F185-F188 HydrophobicContact CE2-CD1 3.78Å; F185-F188 HydrophobicContact CE2-CE1 4.11Å; F185-F188 PolarHBondContact O-N 3.45Å; F185-L189 HydrophobicContact CD1-CD1 4.09Å; F185-L189 HydrophobicContact CD1-CG 4.43Å; F185-L189 HydrophobicContact CE1-CD1 3.53Å; F185-L189 HydrophobicContact CE1-CG 4.08Å; F185-L189 HydrophobicContact CZ-CD1 4Å; F185-L189 HydrophobicContact CZ-CD2 4.35Å; F185-L189 HydrophobicContact CZ-CG 4.21Å; F185-L189 PolarHBondContact O-N 3.25Å; F185-L189 VanDerWaalsContact O-N 3.12Å
186	T	93.4	Very high	93.6	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-46.2	171.9	-57.9	0	0	0	0	110.7	V110 Y111 V114 R182 E183 E184 F188 L189 H190 F194	V110-T186 HydrophobicContact CG1-CG2 3.34Å; Y111-T186 HydrophobicContact CD1-CG2 4.26Å; Y111-T186 HydrophobicContact CE1-CG2 4.13Å; V114-T186 HydrophobicContact CG2-CG2 4Å; R182-T186 WeakPolarHBondContact O-CB 3.43Å; R182-T186 PolarHBondContact O-N 3.22Å; R182-T186 PolarHBondContact O-OG1 2.8Å; E183-T186 WeakPolarHBondContact O-CB 3.22Å; E183-T186 PolarHBondContact O-N 3.36Å; E184-T186 VanDerWaalsContact C-N 3.31Å; E184-T186 PolarHBondContact O-N 3.2Å; T186-F188 VanDerWaalsContact C-N 3.25Å; T186-F188 PolarHBondContact O-N 2.91Å; T186-L189 PolarHBondContact O-N 3.03Å; T186-H190 PolarHBondContact O-N 3.44Å; T186-F194 HydrophobicContact CG2-CE2 3.82Å; T186-F194 HydrophobicContact CG2-CZ 3.64Å
187	S	94.4	Very high	93.5	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.007	21%	0.214	C	C	.	.	H	α-helix	trans	-67.2	-25.9	178.1	76.2	0	0	0	0	113.5	A172 E183 E184 P191 F194	A172-S187 WeakPolarHBondContact CB-OG 3.42Å; E183-S187 PolarHBondContact O-N 2.93Å; E184-S187 PolarHBondContact O-N 3.4Å; E184-S187 VanDerWaalsContact O-N 3.15Å; E184-S187 PolarHBondContact O-OG 3.46Å; S187-P191 WeakPolarHBondContact O-CA 3.42Å; S187-F194 VanDerWaalsContact CA-CD2 3.47Å
188	F	94.9	Very high	93.1	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-70	-42.2	172	168.5	-107.5	0	0	0	112.6	Y134 D165 R168 F169 A172 E184 F185 T186	Y134-F188 HydrophobicContact CD1-CE1 4.37Å; Y134-F188 HydrophobicContact CD1-CZ 4.22Å; Y134-F188 AromaticContact CD2-CE1 3.98Å; Y134-F188 HydrophobicContact CD2-CE1 3.98Å; Y134-F188 AromaticContact CE1-CE1 3.95Å; Y134-F188 HydrophobicContact CE1-CE1 3.95Å; Y134-F188 AromaticContact CE1-CZ 3.62Å; Y134-F188 HydrophobicContact CE1-CZ 3.62Å; Y134-F188 AromaticContact CE2-CE1 3.53Å; Y134-F188 HydrophobicContact CE2-CE1 3.53Å; Y134-F188 HydrophobicContact CE2-CZ 4.07Å; Y134-F188 HydrophobicContact CG-CE1 4.38Å; Y134-F188 AromaticContact CZ-CE1 3.49Å; Y134-F188 VanDerWaalsContact CZ-CE1 3.49Å; Y134-F188 AromaticContact CZ-CZ 3.53Å; D165-F188 HydrophobicContact CB-CE2 4.39Å; D165-F188 HydrophobicContact CB-CZ 4.31Å; D165-F188 WeakPolarHBondContact O-CE2 3.4Å; R168-F188 HydrophobicContact CB-CD2 4.06Å; R168-F188 HydrophobicContact CB-CE2 4.02Å; R168-F188 WeakPolarHBondContact CD-O 3.17Å; R168-F188 HydrophobicContact CG-CD2 3.77Å; R168-F188 HydrophobicContact CG-CE2 4.13Å; R168-F188 PolarHBondContact NH1-O 3.33Å; F169-F188 HydrophobicContact CB-CD2 3.92Å; F169-F188 HydrophobicContact CB-CE2 3.89Å; F169-F188 HydrophobicContact CD2-CD1 4.33Å; F169-F188 HydrophobicContact CD2-CD2 4.21Å; F169-F188 HydrophobicContact CD2-CE1 4.43Å; F169-F188 HydrophobicContact CD2-CE2 4.33Å; F169-F188 HydrophobicContact CD2-CG 4.22Å; F169-F188 HydrophobicContact CD2-CZ 4.44Å; A172-F188 HydrophobicContact CB-CB 3.77Å; E184-F188 PolarHBondContact O-N 2.8Å; F185-F188 AromaticContact CD2-CD1 3.93Å; F185-F188 HydrophobicContact CD2-CD1 3.93Å; F185-F188 AromaticContact CE2-CD1 3.78Å; F185-F188 HydrophobicContact CE2-CD1 3.78Å; F185-F188 HydrophobicContact CE2-CE1 4.11Å; F185-F188 PolarHBondContact O-N 3.45Å; T186-F188 VanDerWaalsContact C-N 3.25Å; T186-F188 PolarHBondContact O-N 2.91Å
189	L	90.3	Very high	93	Very high	46 Å²	46	42.8 Å²	42.8	24%	0.241	21%	0.209	C	C	.	.	H	α-helix	trans	-79.4	-32.8	179.5	-67.9	-173.2	0	0	0	113.3	V114 V117 F185 T186 P191	V114-L189 HydrophobicContact CG2-CD1 4.17Å; V117-L189 HydrophobicContact CG2-CD1 4.18Å; F185-L189 HydrophobicContact CD1-CD1 4.09Å; F185-L189 HydrophobicContact CD1-CG 4.43Å; F185-L189 HydrophobicContact CE1-CD1 3.53Å; F185-L189 HydrophobicContact CE1-CG 4.08Å; F185-L189 HydrophobicContact CZ-CD1 4Å; F185-L189 HydrophobicContact CZ-CD2 4.35Å; F185-L189 HydrophobicContact CZ-CG 4.21Å; F185-L189 PolarHBondContact O-N 3.25Å; F185-L189 VanDerWaalsContact O-N 3.12Å; T186-L189 PolarHBondContact O-N 3.03Å; L189-P191 WeakPolarHBondContact O-CD 3.49Å
190	H	87.4	Confident	92.8	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.028	21%	0.206	C	C	.	.			trans	-124.3	58.4	-177.3	-63.7	-75.7	0	0	0	111.8	V110 T186 E192 E193 F194	V110-H190 HydrophobicContact CG1-CB 3.99Å; V110-H190 HydrophobicContact CG2-CB 4.47Å; T186-H190 PolarHBondContact O-N 3.44Å; H190-E192 WeakPolarHBondContact CA-OE1 3.3Å; H190-E192 WeakPolarHBondContact CA-OE2 3.45Å; H190-E192 IonicContact CG-OE1 2.71Å; H190-E192 IonicContact ND1-OE1 2.68Å; H190-E192 PolarHBondContact ND1-OE1 3.46Å; H190-E192 PolarHBondContact O-N 2.99Å; H190-E192 VanDerWaalsContact O-N 3.14Å; H190-E193 HydrophobicContact CB-CG 4.2Å; H190-E193 PolarHBondContact O-N 2.83Å; H190-E193 VanDerWaalsContact O-N 3.1Å; H190-F194 VanDerWaalsContact O-CD2 3.29Å; H190-F194 WeakPolarHBondContact O-CD2 3.33Å
191	P	89.6	Confident	92.5	Very high	7 Å²	7	43.9 Å²	43.9	5%	0.045	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-61.5	-23.3	-173.9	27.9	-37.4	0	0	0	114.1	S187 L189 E193 F194 M197 V201	S187-P191 WeakPolarHBondContact O-CA 3.42Å; L189-P191 WeakPolarHBondContact O-CD 3.49Å; P191-E193 PolarHBondContact O-N 2.94Å; P191-F194 PolarHBondContact O-N 3.37Å; P191-M197 HydrophobicContact CB-CB 3.7Å; P191-M197 HydrophobicContact CB-CE 4.08Å; P191-M197 HydrophobicContact CB-CG 4.39Å; P191-M197 VanDerWaalsContact O-CB 3.27Å; P191-M197 WeakPolarHBondContact O-CB 2.83Å; P191-V201 HydrophobicContact CB-CG2 3.72Å; P191-V201 HydrophobicContact CG-CG2 3.9Å
192	E	85.7	Confident	92.2	Very high	85 Å²	85	41 Å²	41	40%	0.397	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-61.8	-28.7	175.2	66.9	-74.2	175.9	0	0	113.4	H190 F194	H190-E192 WeakPolarHBondContact CA-OE1 3.3Å; H190-E192 WeakPolarHBondContact CA-OE2 3.45Å; H190-E192 IonicContact CG-OE1 2.71Å; H190-E192 IonicContact ND1-OE1 2.68Å; H190-E192 PolarHBondContact ND1-OE1 3.46Å; H190-E192 PolarHBondContact O-N 2.99Å; H190-E192 VanDerWaalsContact O-N 3.14Å; E192-F194 VanDerWaalsContact C-N 3.35Å
193	E	85.7	Confident	92.1	Very high	100 Å²	100	37.7 Å²	37.7	47%	0.467	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-84.7	-9.5	-176.3	-63.2	-59.8	136.7	0	0	113.2	V110 H190 P191	V110-E193 HydrophobicContact CG2-CG 4.09Å; H190-E193 HydrophobicContact CB-CG 4.2Å; H190-E193 PolarHBondContact O-N 2.83Å; H190-E193 VanDerWaalsContact O-N 3.1Å; P191-E193 PolarHBondContact O-N 2.94Å
194	F	89.8	Confident	91.9	Very high	24 Å²	24	32.4 Å²	32.4	11%	0.105	16%	0.163	C	C	.	.			trans	-120.5	121.2	-172.3	-65.7	-100	0	0	0	111.5	E183 T186 S187 H190 P191 E192 H196 M197 K198	E183-F194 HydrophobicContact CG-CE1 4.26Å; T186-F194 HydrophobicContact CG2-CE2 3.82Å; T186-F194 HydrophobicContact CG2-CZ 3.64Å; S187-F194 VanDerWaalsContact CA-CD2 3.47Å; H190-F194 VanDerWaalsContact O-CD2 3.29Å; H190-F194 WeakPolarHBondContact O-CD2 3.33Å; P191-F194 PolarHBondContact O-N 3.37Å; E192-F194 VanDerWaalsContact C-N 3.35Å; F194-H196 VanDerWaalsContact C-N 3.26Å; F194-H196 AromaticContact CD1-CE1 3.86Å; F194-H196 PolarHBondContact O-N 3.44Å; F194-H196 VanDerWaalsContact O-N 3.16Å; F194-M197 HydrophobicContact CB-CB 4.12Å; F194-M197 HydrophobicContact CB-CG 4.01Å; F194-M197 WeakPolarHBondContact O-CB 3.49Å; F194-M197 PolarHBondContact O-N 3.33Å; F194-K198 PolarHBondContact O-N 3.48Å
195	E	90.9	Very high	91.5	Very high	114 Å²	114	33.5 Å²	33.5	53%	0.533	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-55.2	-40.2	-176	-172.9	58.6	-138.1	0	0	113.3	M197 K198 R264	E195-M197 PolarHBondContact O-N 2.89Å; E195-K198 PolarHBondContact O-N 3.22Å; E195-K198 WeakPolarHBondContact OE2-CD 3.43Å; E195-K198 WeakPolarHBondContact OE2-CE 2.7Å; E195-K198 IonicContact OE2-NZ 2.61Å; E195-K198 PolarHBondContact OE2-NZ 3.39Å; E195-R264 IonicContact OE1-NH2 3.7Å; E195-R264 PolarHBondContact OE1-NH2 2.97Å
196	H	95	Very high	91.2	Very high	78 Å²	78	33.8 Å²	33.8	36%	0.361	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-70.1	-17.6	179.6	69.5	-83	0	0	0	113.5	F194	F194-H196 VanDerWaalsContact C-N 3.26Å; F194-H196 AromaticContact CD1-CE1 3.86Å; F194-H196 PolarHBondContact O-N 3.44Å; F194-H196 VanDerWaalsContact O-N 3.16Å
197	M	94.7	Very high	91	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-96.2	-12.9	-179.9	-67.4	-57.6	-71.3	0	0	113.2	R168 A171 A172 P191 F194 E195 S199 I200 V201	R168-M197 HydrophobicContact CG-CE 3.58Å; A171-M197 VanDerWaalsContact C-SD 3.56Å; A171-M197 HydrophobicContact CB-CE 4.08Å; A171-M197 HydrophobicContact CB-SD 3.93Å; A172-M197 HydrophobicContact CB-CE 3.96Å; A172-M197 HydrophobicContact CB-SD 4.03Å; P191-M197 HydrophobicContact CB-CB 3.7Å; P191-M197 HydrophobicContact CB-CE 4.08Å; P191-M197 HydrophobicContact CB-CG 4.39Å; P191-M197 VanDerWaalsContact O-CB 3.27Å; P191-M197 WeakPolarHBondContact O-CB 2.83Å; F194-M197 HydrophobicContact CB-CB 4.12Å; F194-M197 HydrophobicContact CB-CG 4.01Å; F194-M197 WeakPolarHBondContact O-CB 3.49Å; F194-M197 PolarHBondContact O-N 3.33Å; E195-M197 PolarHBondContact O-N 2.89Å; M197-S199 PolarHBondContact O-N 3.12Å; M197-S199 VanDerWaalsContact O-N 3.12Å; M197-I200 HydrophobicContact CE-CB 4.46Å; M197-I200 HydrophobicContact CE-CG1 4.31Å; M197-I200 WeakPolarHBondContact O-CA 3.47Å; M197-I200 WeakPolarHBondContact O-CB 3.45Å; M197-I200 PolarHBondContact O-N 2.93Å; M197-V201 PolarHBondContact O-N 3.37Å
198	K	90.2	Very high	90.6	Very high	50 Å²	50	41.1 Å²	41.1	22%	0.217	21%	0.208	C	C	.	.	H	α-helix	trans	-55	-34.9	-178.7	-69.7	-171.5	174.3	170.5	0	113.8	F194 E195 I200 V201 V202 M268	F194-K198 PolarHBondContact O-N 3.48Å; E195-K198 PolarHBondContact O-N 3.22Å; E195-K198 WeakPolarHBondContact OE2-CD 3.43Å; E195-K198 WeakPolarHBondContact OE2-CE 2.7Å; E195-K198 IonicContact OE2-NZ 2.61Å; E195-K198 PolarHBondContact OE2-NZ 3.39Å; K198-I200 VanDerWaalsContact C-N 3.27Å; K198-I200 PolarHBondContact O-N 2.86Å; K198-V201 PolarHBondContact O-N 3.39Å; K198-V202 WeakPolarHBondContact O-CG2 3.4Å; K198-V202 PolarHBondContact O-N 3.26Å; K198-M268 HydrophobicContact CB-CE 3.93Å; K198-M268 HydrophobicContact CB-SD 3.9Å; K198-M268 HydrophobicContact CD-SD 3.63Å; K198-M268 HydrophobicContact CG-CE 4.27Å; K198-M268 HydrophobicContact CG-SD 3.55Å; K198-M268 VanDerWaalsContact CG-SD 3.55Å
199	S	94	Very high	90.2	Very high	67 Å²	67	41.4 Å²	41.4	47%	0.469	21%	0.21	S	C	.	.	H	α-helix	trans	-64.6	-32.5	176.1	54.5	0	0	0	0	112.8	M197 L203	M197-S199 PolarHBondContact O-N 3.12Å; M197-S199 VanDerWaalsContact O-N 3.12Å; S199-L203 WeakPolarHBondContact O-CB 3.31Å; S199-L203 PolarHBondContact O-N 3.38Å
200	I	94.2	Very high	90.3	Very high	14 Å²	14	40.4 Å²	40.4	7%	0.072	21%	0.205	C	C	.	.	H	α-helix	trans	-68.9	-43.4	174.1	-66	-66.4	0	0	0	110.3	R167 R168 A171 M197 K198 V202 L203 E204	R167-I200 HydrophobicContact CG-CD1 4.15Å; R168-I200 HydrophobicContact CB-CG2 4Å; R168-I200 HydrophobicContact CG-CG2 3.81Å; A171-I200 HydrophobicContact CB-CD1 3.78Å; A171-I200 HydrophobicContact CB-CG1 3.53Å; M197-I200 HydrophobicContact CE-CB 4.46Å; M197-I200 HydrophobicContact CE-CG1 4.31Å; M197-I200 WeakPolarHBondContact O-CA 3.47Å; M197-I200 WeakPolarHBondContact O-CB 3.45Å; M197-I200 PolarHBondContact O-N 2.93Å; K198-I200 VanDerWaalsContact C-N 3.27Å; K198-I200 PolarHBondContact O-N 2.86Å; I200-V202 VanDerWaalsContact C-N 3.31Å; I200-V202 PolarHBondContact O-N 2.9Å; I200-L203 PolarHBondContact O-N 3.04Å; I200-E204 HydrophobicContact CG2-CG 4.05Å; I200-E204 WeakPolarHBondContact CG2-OE1 3.49Å; I200-E204 VanDerWaalsContact O-CB 3.23Å; I200-E204 WeakPolarHBondContact O-CB 3.43Å; I200-E204 VanDerWaalsContact O-CG 3.23Å; I200-E204 WeakPolarHBondContact O-CG 3.47Å; I200-E204 PolarHBondContact O-N 2.92Å
201	V	90.3	Very high	90.3	Very high	27 Å²	27	46 Å²	46	16%	0.164	24%	0.235	C	C	.	.	H	α-helix	trans	-56.2	-47.8	176.4	-176.7	0	0	0	0	110.7	P191 M197 K198 E204 T205 I267 M268	P191-V201 HydrophobicContact CB-CG2 3.72Å; P191-V201 HydrophobicContact CG-CG2 3.9Å; M197-V201 PolarHBondContact O-N 3.37Å; K198-V201 PolarHBondContact O-N 3.39Å; V201-E204 PolarHBondContact O-N 3.41Å; V201-T205 PolarHBondContact O-N 3.44Å; V201-T205 PolarHBondContact O-OG1 3.06Å; V201-T205 VanDerWaalsContact O-OG1 3.06Å; V201-I267 HydrophobicContact CG1-CD1 4.02Å; V201-M268 HydrophobicContact CB-CE 4.09Å; V201-M268 HydrophobicContact CG1-CE 4.19Å
202	V	91.7	Very high	90.4	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.024	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-50.5	177.9	172.4	0	0	0	0	112.1	K198 I200 E204 T205 L206 Q260 I263 R264 I267 M268	K198-V202 WeakPolarHBondContact O-CG2 3.4Å; K198-V202 PolarHBondContact O-N 3.26Å; I200-V202 VanDerWaalsContact C-N 3.31Å; I200-V202 PolarHBondContact O-N 2.9Å; V202-E204 PolarHBondContact O-N 3.41Å; V202-T205 PolarHBondContact O-N 2.66Å; V202-L206 PolarHBondContact O-N 3.24Å; V202-Q260 HydrophobicContact CG1-CB 3.88Å; V202-Q260 HydrophobicContact CG1-CG 4.27Å; V202-Q260 WeakPolarHBondContact CG1-O 3.27Å; V202-I263 HydrophobicContact CG1-CB 4.26Å; V202-I263 HydrophobicContact CG1-CG2 4.04Å; V202-R264 HydrophobicContact CG1-CB 4.43Å; V202-R264 HydrophobicContact CG2-CB 3.62Å; V202-R264 HydrophobicContact CG2-CG 3.85Å; V202-I267 HydrophobicContact CG2-CD1 4.08Å; V202-M268 HydrophobicContact CG2-CE 3.57Å
203	L	93.7	Very high	90.7	Very high	40 Å²	40	48.7 Å²	48.7	21%	0.209	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-41.3	-179.7	174	62	0	0	0	111.4	S199 I200 L206 E207	S199-L203 WeakPolarHBondContact O-CB 3.31Å; S199-L203 PolarHBondContact O-N 3.38Å; I200-L203 PolarHBondContact O-N 3.04Å; L203-L206 WeakPolarHBondContact O-CB 3.21Å; L203-L206 PolarHBondContact O-N 2.85Å; L203-E207 HydrophobicContact CD1-CG 4.49Å; L203-E207 WeakPolarHBondContact O-CG 3.47Å; L203-E207 PolarHBondContact O-N 3.22Å
204	E	90.1	Very high	91.1	Very high	7 Å²	7	48 Å²	48	3%	0.033	27%	0.266	C	S	.	.	H	α-helix	trans	-71.7	-36.8	-179.7	-78.2	-171.4	-167.1	0	0	113.2	R164 R168 I200 V201 V202 L206 E207 D208	R164-E204 HydrophobicContact CG-CG 3.98Å; R164-E204 IonicContact CZ-OE2 3.62Å; R164-E204 VanDerWaalsContact CZ-OE2 3.27Å; R164-E204 IonicContact NE-OE1 3.35Å; R164-E204 IonicContact NE-OE2 3.33Å; R164-E204 PolarHBondContact NE-OE2 3.49Å; R164-E204 IonicContact NH2-OE2 3.71Å; R164-E204 PolarHBondContact NH2-OE2 2.76Å; R168-E204 IonicContact CZ-OE1 3.68Å; R168-E204 IonicContact CZ-OE2 3.87Å; R168-E204 IonicContact NE-OE1 2.91Å; R168-E204 PolarHBondContact NE-OE1 3.17Å; R168-E204 IonicContact NE-OE2 3.81Å; R168-E204 IonicContact NH2-OE1 3.74Å; R168-E204 PolarHBondContact NH2-OE1 2.91Å; R168-E204 IonicContact NH2-OE2 2.78Å; R168-E204 PolarHBondContact NH2-OE2 3.42Å; I200-E204 HydrophobicContact CG2-CG 4.05Å; I200-E204 WeakPolarHBondContact CG2-OE1 3.49Å; I200-E204 VanDerWaalsContact O-CB 3.23Å; I200-E204 WeakPolarHBondContact O-CB 3.43Å; I200-E204 VanDerWaalsContact O-CG 3.23Å; I200-E204 WeakPolarHBondContact O-CG 3.47Å; I200-E204 PolarHBondContact O-N 2.92Å; V201-E204 PolarHBondContact O-N 3.41Å; V202-E204 PolarHBondContact O-N 3.41Å; E204-L206 VanDerWaalsContact C-N 3.33Å; E204-E207 PolarHBondContact O-N 2.91Å; E204-D208 VanDerWaalsContact O-CG 3.23Å; E204-D208 PolarHBondContact O-N 3.26Å
205	T	88.8	Confident	91.3	Very high	32 Å²	32	48.3 Å²	48.3	20%	0.196	28%	0.276	C	S	.	.	H	α-helix	trans	-62.2	-42.7	169.9	-62.5	0	0	0	0	111.1	V201 V202 D208 I209 I263 I267	V201-T205 PolarHBondContact O-N 3.44Å; V201-T205 PolarHBondContact O-OG1 3.06Å; V201-T205 VanDerWaalsContact O-OG1 3.06Å; V202-T205 PolarHBondContact O-N 2.66Å; T205-D208 PolarHBondContact O-N 2.88Å; T205-I209 HydrophobicContact CG2-CD1 3.89Å; T205-I209 WeakPolarHBondContact O-CG1 3.29Å; T205-I209 PolarHBondContact O-N 2.92Å; T205-I263 HydrophobicContact CG2-CG2 4.02Å; T205-I267 HydrophobicContact CG2-CD1 4.38Å; T205-I267 HydrophobicContact CG2-CG2 4.15Å
206	L	90.3	Very high	91.5	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-56.9	-52.4	173.6	170.7	64.2	0	0	0	110.6	V202 L203 E204 D208 I209 D210 G215 V217 Q260 I263	V202-L206 PolarHBondContact O-N 3.24Å; L203-L206 WeakPolarHBondContact O-CB 3.21Å; L203-L206 PolarHBondContact O-N 2.85Å; E204-L206 VanDerWaalsContact C-N 3.33Å; L206-D208 PolarHBondContact O-N 3.49Å; L206-I209 PolarHBondContact O-N 3Å; L206-I209 VanDerWaalsContact O-N 3.11Å; L206-D210 HydrophobicContact CD1-CB 3.95Å; L206-D210 HydrophobicContact CG-CB 4.43Å; L206-D210 WeakPolarHBondContact O-CB 3.43Å; L206-D210 PolarHBondContact O-N 2.91Å; L206-G215 WeakPolarHBondContact CD2-O 3.23Å; L206-V217 HydrophobicContact CD1-CG2 3.7Å; L206-Q260 HydrophobicContact CD2-CG 3.89Å; L206-I263 HydrophobicContact CB-CD1 3.84Å; L206-I263 HydrophobicContact CD1-CD1 3.73Å; L206-I263 HydrophobicContact CG-CD1 4.31Å
207	E	89.4	Confident	91.5	Very high	80 Å²	80	41.6 Å²	41.6	37%	0.374	25%	0.245	S	C	.	.	H	α-helix	trans	-62.3	-24	-179.9	-73.8	175.8	168.2	0	0	114.4	R167 L203 E204	R167-E207 IonicContact CZ-OE1 2.74Å; R167-E207 IonicContact CZ-OE2 3.49Å; R167-E207 IonicContact NH1-OE1 2.74Å; R167-E207 PolarHBondContact NH1-OE1 3.12Å; R167-E207 IonicContact NH1-OE2 4Å; R167-E207 PolarHBondContact NH1-OE2 3.48Å; R167-E207 IonicContact NH2-OE1 3.79Å; R167-E207 PolarHBondContact NH2-OE1 3.14Å; R167-E207 IonicContact NH2-OE2 3.62Å; R167-E207 PolarHBondContact NH2-OE2 3.22Å; L203-E207 HydrophobicContact CD1-CG 4.49Å; L203-E207 WeakPolarHBondContact O-CG 3.47Å; L203-E207 PolarHBondContact O-N 3.22Å; E204-E207 PolarHBondContact O-N 2.91Å
208	D	85.9	Confident	91.5	Very high	76 Å²	76	44 Å²	44	41%	0.406	26%	0.257	S	S	.	.	H	α-helix	trans	-77	-29.8	177.1	-75.9	-27.5	0	0	0	112	R164 E204 T205 L206	R164-D208 IonicContact CZ-OD1 3.11Å; R164-D208 IonicContact CZ-OD2 3.67Å; R164-D208 VanDerWaalsContact NH1-CG 3.27Å; R164-D208 IonicContact NH1-OD1 3.26Å; R164-D208 PolarHBondContact NH1-OD1 2.86Å; R164-D208 IonicContact NH1-OD2 2.75Å; R164-D208 PolarHBondContact NH1-OD2 2.88Å; R164-D208 VanDerWaalsContact NH1-OD2 3.16Å; R164-D208 IonicContact NH2-OD1 2.79Å; R164-D208 IonicContact NH2-OD2 2.64Å; R164-D208 PolarHBondContact NH2-OD2 2.95Å; E204-D208 VanDerWaalsContact O-CG 3.23Å; E204-D208 PolarHBondContact O-N 3.26Å; T205-D208 PolarHBondContact O-N 2.88Å; L206-D208 PolarHBondContact O-N 3.49Å
209	I	87.6	Confident	91.7	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.041	26%	0.261	C	S	.	.	H	α-helix	trans	-103.2	-36.3	-174.6	-55.2	169.5	0	0	0	111.9	T205 L206 N211 V217 E221 D225 W266	T205-I209 HydrophobicContact CG2-CD1 3.89Å; T205-I209 WeakPolarHBondContact O-CG1 3.29Å; T205-I209 PolarHBondContact O-N 2.92Å; L206-I209 PolarHBondContact O-N 3Å; L206-I209 VanDerWaalsContact O-N 3.11Å; I209-N211 PolarHBondContact O-N 2.81Å; I209-N211 PolarHBondContact O-ND2 3.45Å; I209-V217 HydrophobicContact CB-CG1 4.41Å; I209-V217 HydrophobicContact CB-CG2 3.9Å; I209-V217 HydrophobicContact CG2-CB 4.32Å; I209-V217 HydrophobicContact CG2-CG1 3.47Å; I209-V217 VanDerWaalsContact CG2-CG1 3.47Å; I209-V217 HydrophobicContact CG2-CG2 3.87Å; I209-E221 HydrophobicContact CG2-CB 4.19Å; I209-D225 HydrophobicContact CG2-CB 4.49Å; I209-W266 HydrophobicContact CD1-CH2 3.97Å; I209-W266 HydrophobicContact CD1-CZ3 3.76Å
210	D	91.6	Very high	91.5	Very high	24 Å²	24	46 Å²	46	13%	0.128	26%	0.263	C	S	.	.			trans	-67	91.8	177.2	178.1	10.4	0	0	0	110.2	L206 N212 G213 D214 G215	L206-D210 HydrophobicContact CD1-CB 3.95Å; L206-D210 HydrophobicContact CG-CB 4.43Å; L206-D210 WeakPolarHBondContact O-CB 3.43Å; L206-D210 PolarHBondContact O-N 2.91Å; D210-N212 PolarHBondContact OD1-N 2.93Å; D210-N212 PolarHBondContact OD1-OD1 2.97Å; D210-G213 VanDerWaalsContact OD1-CA 3.26Å; D210-G213 WeakPolarHBondContact OD1-CA 3.45Å; D210-G213 PolarHBondContact OD1-N 3.15Å; D210-G213 WeakPolarHBondContact OD2-CA 3.49Å; D210-D214 PolarHBondContact OD1-N 2.88Å; D210-D214 PolarHBondContact OD2-N 3.27Å; D210-G215 WeakPolarHBondContact OD2-CA 3.38Å; D210-G215 PolarHBondContact OD2-N 2.7Å
211	N	88.4	Confident	91.4	Very high	125 Å²	125	45.9 Å²	45.9	67%	0.668	26%	0.262	S	S	*	.	S	Bend	trans	-81.8	-26.7	-176.6	-76	-66	0	0	0	111.5	I209 E221	I209-N211 PolarHBondContact O-N 2.81Å; I209-N211 PolarHBondContact O-ND2 3.45Å; N211-E221 HydrophobicContact CB-CG 4.38Å; N211-E221 PolarHBondContact N-OE1 2.86Å
212	N	90.1	Very high	91.3	Very high	86 Å²	86	44.7 Å²	44.7	46%	0.46	26%	0.255	S	S	.	.	S	Bend	trans	-91.4	-16	-176.6	77.2	39.9	0	0	0	113.2	D210 D214 E221	D210-N212 PolarHBondContact OD1-N 2.93Å; D210-N212 PolarHBondContact OD1-OD1 2.97Å; N212-D214 WeakPolarHBondContact OD1-CB 3.34Å; N212-D214 PolarHBondContact OD1-N 3.48Å; N212-E221 VanDerWaalsContact CG-OE1 3.26Å; N212-E221 PolarHBondContact N-OE1 2.94Å; N212-E221 PolarHBondContact ND2-OE1 3.4Å
213	G	91.9	Very high	91.1	Very high	62 Å²	62	44.5 Å²	44.5	64%	0.639	25%	0.254	S	S	*	.			trans	76.4	25.4	175.9	0	0	0	0	0	114.6	D210 G215	D210-G213 VanDerWaalsContact OD1-CA 3.26Å; D210-G213 WeakPolarHBondContact OD1-CA 3.45Å; D210-G213 PolarHBondContact OD1-N 3.15Å; D210-G213 WeakPolarHBondContact OD2-CA 3.49Å; G213-G215 VanDerWaalsContact C-N 3.33Å
214	D	93.8	Very high	90.7	Very high	85 Å²	85	44.8 Å²	44.8	46%	0.455	26%	0.262	S	S	.	.	S	Bend	trans	-87.6	-1.8	-179.8	84.8	4.1	0	0	0	114	D210 N212 H216	D210-D214 PolarHBondContact OD1-N 2.88Å; D210-D214 PolarHBondContact OD2-N 3.27Å; N212-D214 WeakPolarHBondContact OD1-CB 3.34Å; N212-D214 PolarHBondContact OD1-N 3.48Å; D214-H216 PolarHBondContact O-ND1 3.14Å; D214-H216 VanDerWaalsContact O-ND1 3.14Å; D214-H216 WeakPolarHBondContact OD1-CB 3.23Å; D214-H216 IonicContact OD1-CG 3.44Å; D214-H216 PolarHBondContact OD1-N 3.01Å; D214-H216 IonicContact OD1-ND1 3.75Å; D214-H216 PolarHBondContact OD1-ND1 2.79Å
215	G	94.3	Very high	90.1	Very high	31 Å²	31	49.3 Å²	49.3	32%	0.32	29%	0.287	S	S	.	.	S	Bend	trans	81	14.4	177.2	0	0	0	0	0	114.4	L206 D210 G213	L206-G215 WeakPolarHBondContact CD2-O 3.23Å; D210-G215 WeakPolarHBondContact OD2-CA 3.38Å; D210-G215 PolarHBondContact OD2-N 2.7Å; G213-G215 VanDerWaalsContact C-N 3.33Å
216	H	95.9	Very high	89.5	Confident	51 Å²	51	52.1 Å²	52.1	24%	0.236	30%	0.298	C	S	.	.	S	Bend	trans	-132.3	168.6	172.8	-51.8	74.4	0	0	0	109.2	D214 K257 M258	D214-H216 PolarHBondContact O-ND1 3.14Å; D214-H216 VanDerWaalsContact O-ND1 3.14Å; D214-H216 WeakPolarHBondContact OD1-CB 3.23Å; D214-H216 IonicContact OD1-CG 3.44Å; D214-H216 PolarHBondContact OD1-N 3.01Å; D214-H216 IonicContact OD1-ND1 3.75Å; D214-H216 PolarHBondContact OD1-ND1 2.79Å; H216-K257 HydrophobicContact CB-CB 4.11Å; H216-K257 HydrophobicContact CB-CD 3.74Å; H216-K257 HydrophobicContact CB-CG 4.21Å; H216-K257 PolarHBondContact CD2-NZ 3.09Å; H216-K257 VanDerWaalsContact CD2-NZ 3.26Å; H216-K257 PolarHBondContact CE1-NZ 3.48Å; H216-K257 VanDerWaalsContact CE1-NZ 3.31Å; H216-K257 PolarHBondContact ND1-NZ 3.31Å; H216-K257 PolarHBondContact NE2-NZ 3.26Å; H216-M258 WeakPolarHBondContact CA-O 3.44Å; H216-M258 WeakPolarHBondContact CB-O 3.37Å
217	V	95.1	Very high	88.9	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	110.8	170.6	174.2	0	0	0	0	108.4	L206 I209 E221 K257 M258 I263	L206-V217 HydrophobicContact CD1-CG2 3.7Å; I209-V217 HydrophobicContact CB-CG1 4.41Å; I209-V217 HydrophobicContact CB-CG2 3.9Å; I209-V217 HydrophobicContact CG2-CB 4.32Å; I209-V217 HydrophobicContact CG2-CG1 3.47Å; I209-V217 VanDerWaalsContact CG2-CG1 3.47Å; I209-V217 HydrophobicContact CG2-CG2 3.87Å; V217-E221 HydrophobicContact CG1-CB 4.08Å; V217-K257 CarbonylContact O-C 3.59Å; V217-K257 WeakPolarHBondContact O-CA 3.45Å; V217-M258 HydrophobicContact CB-CB 4.3Å; V217-M258 HydrophobicContact CB-CE 3.71Å; V217-M258 HydrophobicContact CG1-CE 3.63Å; V217-M258 HydrophobicContact CG2-CE 4.28Å; V217-M258 PolarHBondContact N-O 3.14Å; V217-M258 PolarHBondContact O-N 3.49Å; V217-I263 HydrophobicContact CG2-CD1 3.93Å
218	D	94.8	Very high	87.9	Confident	50 Å²	50	54 Å²	54	27%	0.267	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	170.5	172.6	72.4	40.5	0	0	0	112.3	D220 E221 Y222	D218-D220 VanDerWaalsContact C-N 3.26Å; D218-D220 PolarHBondContact O-N 2.57Å; D218-D220 WeakPolarHBondContact OD1-CA 3.37Å; D218-D220 WeakPolarHBondContact OD1-CB 3.3Å; D218-D220 PolarHBondContact OD1-N 2.86Å; D218-E221 PolarHBondContact N-OE2 2.92Å; D218-E221 VanDerWaalsContact N-OE2 3.12Å; D218-E221 PolarHBondContact O-N 2.76Å; D218-E221 PolarHBondContact OD1-N 3.21Å; D218-Y222 PolarHBondContact O-N 3.4Å
219	E	93.2	Very high	86.9	Confident	61 Å²	61	55.1 Å²	55.1	29%	0.285	32%	0.323	S	S	.	.	H	α-helix	trans	-59.4	-36.8	-178.8	-169.5	-172	99.3	0	0	112.3	I223 R243 F246	E219-I223 VanDerWaalsContact O-CG1 3.26Å; E219-I223 WeakPolarHBondContact O-CG1 3.46Å; E219-I223 PolarHBondContact O-N 3.04Å; E219-R243 HydrophobicContact CG-CB 4.29Å; E219-R243 HydrophobicContact CG-CG 3.99Å; E219-R243 WeakPolarHBondContact OE1-CD 3.48Å; E219-R243 VanDerWaalsContact OE1-CG 3.26Å; E219-R243 WeakPolarHBondContact OE1-CG 3.44Å; E219-R243 IonicContact OE1-CZ 3.02Å; E219-R243 IonicContact OE1-NE 2.9Å; E219-R243 IonicContact OE1-NH1 3.85Å; E219-R243 PolarHBondContact OE1-NH1 2.96Å; E219-F246 HydrophobicContact CB-CD1 3.91Å; E219-F246 HydrophobicContact CB-CE1 3.91Å; E219-F246 HydrophobicContact CB-CG 4.47Å; E219-F246 HydrophobicContact CB-CZ 4.43Å; E219-F246 HydrophobicContact CG-CB 4.42Å; E219-F246 HydrophobicContact CG-CD1 3.88Å; E219-F246 HydrophobicContact CG-CE1 4.4Å; E219-F246 HydrophobicContact CG-CG 4.16Å
220	D	91.1	Very high	85.6	Confident	98 Å²	98	62.4 Å²	62.4	52%	0.524	36%	0.357	S	S	.	.	H	α-helix	trans	-72.4	-38.2	-178.9	-75.6	-28.8	0	0	0	111.3	D218 I223 A224 R243	D218-D220 VanDerWaalsContact C-N 3.26Å; D218-D220 PolarHBondContact O-N 2.57Å; D218-D220 WeakPolarHBondContact OD1-CA 3.37Å; D218-D220 WeakPolarHBondContact OD1-CB 3.3Å; D218-D220 PolarHBondContact OD1-N 2.86Å; D220-I223 PolarHBondContact O-N 3.29Å; D220-A224 WeakPolarHBondContact O-CB 3.43Å; D220-A224 PolarHBondContact O-N 2.94Å; D220-R243 IonicContact OD1-CZ 3.5Å; D220-R243 IonicContact OD1-NH1 3.53Å; D220-R243 PolarHBondContact OD1-NH1 2.8Å; D220-R243 IonicContact OD1-NH2 3.18Å; D220-R243 PolarHBondContact OD1-NH2 2.93Å
221	E	91.6	Very high	84	Confident	11 Å²	11	69.9 Å²	69.9	5%	0.051	40%	0.397	C	S	.	.	H	α-helix	trans	-64.1	-43.4	172.7	-71.5	175.9	147.3	0	0	112.1	I209 N211 N212 V217 D218 I223 A224 D225	I209-E221 HydrophobicContact CG2-CB 4.19Å; N211-E221 HydrophobicContact CB-CG 4.38Å; N211-E221 PolarHBondContact N-OE1 2.86Å; N212-E221 VanDerWaalsContact CG-OE1 3.26Å; N212-E221 PolarHBondContact N-OE1 2.94Å; N212-E221 PolarHBondContact ND2-OE1 3.4Å; V217-E221 HydrophobicContact CG1-CB 4.08Å; D218-E221 PolarHBondContact N-OE2 2.92Å; D218-E221 VanDerWaalsContact N-OE2 3.12Å; D218-E221 PolarHBondContact O-N 2.76Å; D218-E221 PolarHBondContact OD1-N 3.21Å; E221-I223 PolarHBondContact O-N 3.35Å; E221-A224 PolarHBondContact O-N 2.93Å; E221-D225 PolarHBondContact O-N 2.95Å
222	Y	88.7	Confident	82.7	Confident	2 Å²	2	68 Å²	68	1%	0.008	41%	0.407	C	S	.	.	H	α-helix	trans	-59.5	-44.6	174.5	176.8	-103.9	0	0	0	112.2	D218 E242 F246 R250 M258 W266	D218-Y222 PolarHBondContact O-N 3.4Å; Y222-E242 HydrophobicContact CE1-CG 3.85Å; Y222-E242 PolarHBondContact OH-OE1 3.31Å; Y222-F246 HydrophobicContact CD1-CB 4.06Å; Y222-F246 AromaticContact CD1-CD2 3.53Å; Y222-F246 HydrophobicContact CD1-CD2 3.53Å; Y222-F246 HydrophobicContact CD1-CE2 4.39Å; Y222-F246 HydrophobicContact CD1-CG 4.18Å; Y222-F246 HydrophobicContact CD2-CD2 4.09Å; Y222-F246 HydrophobicContact CD2-CE2 4.41Å; Y222-F246 HydrophobicContact CE1-CB 4.11Å; Y222-F246 HydrophobicContact CE1-CD2 4.07Å; Y222-F246 AromaticContact CG-CD2 3.55Å; Y222-F246 HydrophobicContact CG-CD2 3.55Å; Y222-F246 AromaticContact CG-CE2 3.98Å; Y222-F246 HydrophobicContact CG-CE2 3.98Å; Y222-R250 HydrophobicContact CE2-CG 4.45Å; Y222-R250 PolarHBondContact OH-NE 3.37Å; Y222-M258 HydrophobicContact CD2-CE 4.09Å; Y222-W266 AromaticContact CD2-CH2 3.89Å; Y222-W266 HydrophobicContact CD2-CH2 3.89Å; Y222-W266 HydrophobicContact CD2-CZ2 4.32Å; Y222-W266 HydrophobicContact CD2-CZ3 4.2Å; Y222-W266 AromaticContact CE2-CH2 3.59Å; Y222-W266 HydrophobicContact CE2-CH2 3.59Å; Y222-W266 AromaticContact CE2-CZ2 3.55Å; Y222-W266 HydrophobicContact CE2-CZ2 3.55Å; Y222-W266 HydrophobicContact CE2-CZ3 4.12Å
223	I	87.3	Confident	81.6	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-70.3	-38.2	177.6	-66.7	-59.4	0	0	0	111.5	E219 D220 E221 D225 M226 F227 V239 E242 R243	E219-I223 VanDerWaalsContact O-CG1 3.26Å; E219-I223 WeakPolarHBondContact O-CG1 3.46Å; E219-I223 PolarHBondContact O-N 3.04Å; D220-I223 PolarHBondContact O-N 3.29Å; E221-I223 PolarHBondContact O-N 3.35Å; I223-D225 PolarHBondContact O-N 2.69Å; I223-M226 CarbonylContact O-C 3.28Å; I223-M226 PolarHBondContact O-N 2.71Å; I223-F227 HydrophobicContact CG2-CB 4.26Å; I223-F227 PolarHBondContact O-N 3.42Å; I223-V239 HydrophobicContact CD1-CG1 4.34Å; I223-V239 HydrophobicContact CG2-CG1 3.68Å; I223-E242 HydrophobicContact CD1-CB 3.84Å; I223-E242 HydrophobicContact CD1-CG 3.87Å; I223-R243 HydrophobicContact CD1-CG 3.87Å; I223-R243 HydrophobicContact CG1-CG 3.74Å
224	A	84.6	Confident	80.8	Confident	47 Å²	47	69.1 Å²	69.1	39%	0.388	42%	0.417	S	S	.	.	H	α-helix	trans	-62.6	-30.1	-179.8	0	0	0	0	0	113	D220 E221 M226	D220-A224 WeakPolarHBondContact O-CB 3.43Å; D220-A224 PolarHBondContact O-N 2.94Å; E221-A224 PolarHBondContact O-N 2.93Å; A224-M226 VanDerWaalsContact C-N 3.3Å
225	D	78.6	Confident	80.2	Confident	102 Å²	102	69.2 Å²	69.2	55%	0.545	42%	0.415	S	S	.	.	H	α-helix	trans	-64.7	-34	173	-172.6	63.8	0	0	0	112.2	I209 E221 I223	I209-D225 HydrophobicContact CG2-CB 4.49Å; E221-D225 PolarHBondContact O-N 2.95Å; I223-D225 PolarHBondContact O-N 2.69Å
226	M	76.5	Confident	79.7	Confident	90 Å²	90	69.8 Å²	69.8	44%	0.443	41%	0.412	S	S	.	.	H	α-helix	trans	-93.4	-27.7	179.6	-63.5	-169.3	167	0	0	114.1	I223 A224 W238 E242	I223-M226 CarbonylContact O-C 3.28Å; I223-M226 PolarHBondContact O-N 2.71Å; A224-M226 VanDerWaalsContact C-N 3.3Å; M226-W238 HydrophobicContact CB-CH2 4.35Å; M226-W238 HydrophobicContact CB-CZ3 4.45Å; M226-E242 HydrophobicContact SD-CG 3.97Å
227	F	75.8	Confident	79.2	Confident	45 Å²	45	72.5 Å²	72.5	20%	0.197	43%	0.429	C	S	.	.			trans	-138.4	110.4	-171.8	-175.6	-116.5	0	0	0	111.8	I223 H229 P236 W238 V239	I223-F227 HydrophobicContact CG2-CB 4.26Å; I223-F227 PolarHBondContact O-N 3.42Å; F227-H229 AromaticContact CD1-CE1 3.98Å; F227-H229 AromaticContact CD1-ND1 3.97Å; F227-H229 AromaticContact CE1-CE1 3.94Å; F227-H229 AromaticContact CE1-ND1 3.6Å; F227-H229 PolarHBondContact O-N 3.41Å; F227-P236 HydrophobicContact CE2-CG 4.18Å; F227-P236 HydrophobicContact CZ-CG 4.2Å; F227-W238 HydrophobicContact CB-CH2 3.72Å; F227-W238 HydrophobicContact CB-CZ2 4.06Å; F227-W238 HydrophobicContact CD2-CH2 4.28Å; F227-W238 AromaticContact CD2-CZ2 3.73Å; F227-W238 HydrophobicContact CD2-CZ2 3.73Å; F227-W238 HydrophobicContact CG-CH2 4.26Å; F227-W238 HydrophobicContact CG-CZ2 4.11Å; F227-V239 HydrophobicContact CB-CG2 4.42Å; F227-V239 HydrophobicContact CD1-CG2 4.15Å; F227-V239 HydrophobicContact CG-CG2 4.15Å
228	A	69.4	Low	78.6	Confident	80 Å²	80	78 Å²	78	66%	0.661	45%	0.45	S	S	*	.			trans	-74.9	107.4	167	0	0	0	0	0	109.6	E230	A228-E230 PolarHBondContact O-N 2.92Å; A228-E230 VanDerWaalsContact O-N 3.13Å
229	H	64.3	Low	78.2	Confident	99 Å²	99	75.7 Å²	75.7	46%	0.458	44%	0.437	S	S	.	.			trans	-55	118	172.5	-78.7	-79.6	0	0	0	111	F227 E235	F227-H229 AromaticContact CD1-CE1 3.98Å; F227-H229 AromaticContact CD1-ND1 3.97Å; F227-H229 AromaticContact CE1-CE1 3.94Å; F227-H229 AromaticContact CE1-ND1 3.6Å; F227-H229 PolarHBondContact O-N 3.41Å; H229-E235 IonicContact CE1-OE1 3.25Å; H229-E235 PolarHBondContact CE1-OE1 3.37Å; H229-E235 VanDerWaalsContact CE1-OE1 3.25Å; H229-E235 IonicContact NE2-OE1 3.46Å
230	E	61	Low	77.8	Confident	162 Å²	162	79.2 Å²	79.2	76%	0.757	45%	0.448	S	S	*	.			trans	-81.4	130.2	164.7	-67.9	-168	164.5	0	0	109.4	A228 G232 G233	A228-E230 PolarHBondContact O-N 2.92Å; A228-E230 VanDerWaalsContact O-N 3.13Å; E230-G232 PolarHBondContact O-N 3.4Å; E230-G233 PolarHBondContact O-N 3.05Å
231	D	56.8	Low	77.5	Confident	180 Å²	180	77.6 Å²	77.6	96%	0.963	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	109.7	-178.7	-82.3	-35	0	0	0	111.9
232	G	61.6	Low	77.3	Confident	87 Å²	87	78.3 Å²	78.3	90%	0.897	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	5.8	169.5	0	0	0	0	0	116.8	E230	E230-G232 PolarHBondContact O-N 3.4Å
233	G	68	Low	77.4	Confident	49 Å²	49	79.7 Å²	79.7	51%	0.505	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-83.1	148.9	169.4	0	0	0	0	0	112.6	E230	E230-G233 PolarHBondContact O-N 3.05Å
234	P	75.4	Confident	77.5	Confident	122 Å²	122	84.9 Å²	84.9	79%	0.792	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-67.5	144.1	170	29.5	-33.2	0	0	0	110.7
235	E	79.4	Confident	77.7	Confident	87 Å²	87	85.8 Å²	85.8	41%	0.407	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-60.5	132.4	170.7	-73.1	-172.3	163.1	0	0	110.5	H229 V239 R243	H229-E235 IonicContact CE1-OE1 3.25Å; H229-E235 PolarHBondContact CE1-OE1 3.37Å; H229-E235 VanDerWaalsContact CE1-OE1 3.25Å; H229-E235 IonicContact NE2-OE1 3.46Å; E235-V239 HydrophobicContact CB-CB 4.49Å; E235-V239 HydrophobicContact CG-CG1 4.48Å; E235-R243 IonicContact OE1-CZ 2.66Å; E235-R243 IonicContact OE1-NE 3.65Å; E235-R243 IonicContact OE1-NH2 2.71Å; E235-R243 PolarHBondContact OE1-NH2 3.25Å; E235-R243 IonicContact OE2-NE 2.91Å
236	P	84.9	Confident	78.3	Confident	42 Å²	42	81 Å²	81	27%	0.273	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-61.7	151.4	172.3	-24.5	34.3	0	0	0	113.1	F227 W238 V239	F227-P236 HydrophobicContact CE2-CG 4.18Å; F227-P236 HydrophobicContact CZ-CG 4.2Å; P236-W238 HydrophobicContact CB-CG 4.12Å; P236-W238 VanDerWaalsContact CB-NE1 3.27Å; P236-W238 PolarHBondContact O-N 2.95Å; P236-W238 VanDerWaalsContact O-N 3.12Å; P236-V239 HydrophobicContact CB-CG2 4.34Å; P236-V239 HydrophobicContact CG-CG2 4.3Å; P236-V239 WeakPolarHBondContact O-CB 3.18Å; P236-V239 PolarHBondContact O-N 3.06Å
237	D	84.6	Confident	79.1	Confident	108 Å²	108	79.1 Å²	79.1	58%	0.578	44%	0.441	S	S	*	.	H	α-helix	trans	-59.6	-26.6	178.5	-77.8	-47	0	0	0	113.8	V239 R240 T241	D237-V239 VanDerWaalsContact C-N 3.33Å; D237-R240 PolarHBondContact O-N 3.48Å; D237-R240 IonicContact OD1-CZ 3.42Å; D237-R240 IonicContact OD1-NH1 3.52Å; D237-R240 PolarHBondContact OD1-NH1 3.32Å; D237-R240 IonicContact OD1-NH2 2.69Å; D237-R240 PolarHBondContact OD1-NH2 3.45Å; D237-T241 PolarHBondContact O-N 2.61Å; D237-T241 PolarHBondContact O-OG1 2.96Å
238	W	82.2	Confident	79.8	Confident	117 Å²	117	81.8 Å²	81.8	44%	0.443	46%	0.457	S	S	.	.	H	α-helix	trans	-68.4	-33.3	176	71.6	-102.3	0	0	0	111.8	M226 F227 P236 R240 T241 E242	M226-W238 HydrophobicContact CB-CH2 4.35Å; M226-W238 HydrophobicContact CB-CZ3 4.45Å; F227-W238 HydrophobicContact CB-CH2 3.72Å; F227-W238 HydrophobicContact CB-CZ2 4.06Å; F227-W238 HydrophobicContact CD2-CH2 4.28Å; F227-W238 AromaticContact CD2-CZ2 3.73Å; F227-W238 HydrophobicContact CD2-CZ2 3.73Å; F227-W238 HydrophobicContact CG-CH2 4.26Å; F227-W238 HydrophobicContact CG-CZ2 4.11Å; P236-W238 HydrophobicContact CB-CG 4.12Å; P236-W238 VanDerWaalsContact CB-NE1 3.27Å; P236-W238 PolarHBondContact O-N 2.95Å; P236-W238 VanDerWaalsContact O-N 3.12Å; W238-R240 PolarHBondContact O-N 3.49Å; W238-T241 WeakPolarHBondContact O-CB 3.4Å; W238-T241 PolarHBondContact O-N 2.96Å; W238-T241 VanDerWaalsContact O-N 3.15Å; W238-E242 WeakPolarHBondContact O-CB 3.09Å; W238-E242 PolarHBondContact O-N 3.29Å
239	V	86.3	Confident	80.7	Confident	0 Å²	0	84.1 Å²	84.1	0%	0	45%	0.452	C	S	.	.	H	α-helix	trans	-63.3	-44.2	176.5	174.5	0	0	0	0	110	I223 F227 E235 P236 D237 T241 E242 R243	I223-V239 HydrophobicContact CD1-CG1 4.34Å; I223-V239 HydrophobicContact CG2-CG1 3.68Å; F227-V239 HydrophobicContact CB-CG2 4.42Å; F227-V239 HydrophobicContact CD1-CG2 4.15Å; F227-V239 HydrophobicContact CG-CG2 4.15Å; E235-V239 HydrophobicContact CB-CB 4.49Å; E235-V239 HydrophobicContact CG-CG1 4.48Å; P236-V239 HydrophobicContact CB-CG2 4.34Å; P236-V239 HydrophobicContact CG-CG2 4.3Å; P236-V239 WeakPolarHBondContact O-CB 3.18Å; P236-V239 PolarHBondContact O-N 3.06Å; D237-V239 VanDerWaalsContact C-N 3.33Å; V239-T241 VanDerWaalsContact C-N 3.27Å; V239-T241 PolarHBondContact O-N 2.83Å; V239-E242 PolarHBondContact O-N 3.23Å; V239-E242 VanDerWaalsContact O-N 3.12Å; V239-R243 WeakPolarHBondContact O-CG 3.36Å; V239-R243 PolarHBondContact O-N 2.52Å
240	R	84.8	Confident	82	Confident	135 Å²	135	82 Å²	82	51%	0.509	44%	0.44	S	S	.	.	H	α-helix	trans	-58.1	-41.9	173.9	-177.4	177.9	64.9	-132.1	-12.5	112	D237 W238 E242 R243 E244	D237-R240 PolarHBondContact O-N 3.48Å; D237-R240 IonicContact OD1-CZ 3.42Å; D237-R240 IonicContact OD1-NH1 3.52Å; D237-R240 PolarHBondContact OD1-NH1 3.32Å; D237-R240 IonicContact OD1-NH2 2.69Å; D237-R240 PolarHBondContact OD1-NH2 3.45Å; W238-R240 PolarHBondContact O-N 3.49Å; R240-E242 VanDerWaalsContact C-N 3.29Å; R240-E242 PolarHBondContact O-N 3.14Å; R240-R243 PolarHBondContact O-N 3.39Å; R240-E244 WeakPolarHBondContact O-CG 3.26Å; R240-E244 PolarHBondContact O-N 3.45Å
241	T	86.5	Confident	83.5	Confident	65 Å²	65	74.5 Å²	74.5	40%	0.399	41%	0.405	S	S	.	.	H	α-helix	trans	-66.3	-35.2	178.7	-51.8	0	0	0	0	111.4	D237 W238 V239 E244 Q245	D237-T241 PolarHBondContact O-N 2.61Å; D237-T241 PolarHBondContact O-OG1 2.96Å; W238-T241 WeakPolarHBondContact O-CB 3.4Å; W238-T241 PolarHBondContact O-N 2.96Å; W238-T241 VanDerWaalsContact O-N 3.15Å; V239-T241 VanDerWaalsContact C-N 3.27Å; V239-T241 PolarHBondContact O-N 2.83Å; T241-E244 PolarHBondContact O-N 3.35Å; T241-Q245 WeakPolarHBondContact O-CG 3.01Å; T241-Q245 PolarHBondContact O-N 3.38Å
242	E	87	Confident	85.3	Confident	25 Å²	25	69.7 Å²	69.7	12%	0.117	38%	0.379	C	S	.	.	H	α-helix	trans	-73.4	-36.1	178.7	-161.2	54.9	-146.7	0	0	111.8	Y222 I223 M226 W238 V239 R240 Q245 F246	Y222-E242 HydrophobicContact CE1-CG 3.85Å; Y222-E242 PolarHBondContact OH-OE1 3.31Å; I223-E242 HydrophobicContact CD1-CB 3.84Å; I223-E242 HydrophobicContact CD1-CG 3.87Å; M226-E242 HydrophobicContact SD-CG 3.97Å; W238-E242 WeakPolarHBondContact O-CB 3.09Å; W238-E242 PolarHBondContact O-N 3.29Å; V239-E242 PolarHBondContact O-N 3.23Å; V239-E242 VanDerWaalsContact O-N 3.12Å; R240-E242 VanDerWaalsContact C-N 3.29Å; R240-E242 PolarHBondContact O-N 3.14Å; E242-Q245 CarbonylContact O-C 3.57Å; E242-Q245 WeakPolarHBondContact O-CB 3.42Å; E242-Q245 PolarHBondContact O-N 3.43Å; E242-Q245 PolarHBondContact OE2-NE2 2.95Å; E242-F246 PolarHBondContact O-N 3.49Å
243	R	90.1	Very high	86.8	Confident	32 Å²	32	69.4 Å²	69.4	12%	0.121	36%	0.357	C	S	.	.	H	α-helix	trans	-61.8	-42.8	169.9	-68.7	179.2	-180	-75.8	3.3	112	E219 D220 I223 E235 V239 R240 Q245 F246 S247	E219-R243 HydrophobicContact CG-CB 4.29Å; E219-R243 HydrophobicContact CG-CG 3.99Å; E219-R243 WeakPolarHBondContact OE1-CD 3.48Å; E219-R243 VanDerWaalsContact OE1-CG 3.26Å; E219-R243 WeakPolarHBondContact OE1-CG 3.44Å; E219-R243 IonicContact OE1-CZ 3.02Å; E219-R243 IonicContact OE1-NE 2.9Å; E219-R243 IonicContact OE1-NH1 3.85Å; E219-R243 PolarHBondContact OE1-NH1 2.96Å; D220-R243 IonicContact OD1-CZ 3.5Å; D220-R243 IonicContact OD1-NH1 3.53Å; D220-R243 PolarHBondContact OD1-NH1 2.8Å; D220-R243 IonicContact OD1-NH2 3.18Å; D220-R243 PolarHBondContact OD1-NH2 2.93Å; I223-R243 HydrophobicContact CD1-CG 3.87Å; I223-R243 HydrophobicContact CG1-CG 3.74Å; E235-R243 IonicContact OE1-CZ 2.66Å; E235-R243 IonicContact OE1-NE 3.65Å; E235-R243 IonicContact OE1-NH2 2.71Å; E235-R243 PolarHBondContact OE1-NH2 3.25Å; E235-R243 IonicContact OE2-NE 2.91Å; V239-R243 WeakPolarHBondContact O-CG 3.36Å; V239-R243 PolarHBondContact O-N 2.52Å; R240-R243 PolarHBondContact O-N 3.39Å; R243-Q245 VanDerWaalsContact C-N 3.34Å; R243-Q245 PolarHBondContact O-N 2.72Å; R243-F246 WeakPolarHBondContact O-CB 3.17Å; R243-F246 PolarHBondContact O-N 3.28Å; R243-S247 PolarHBondContact O-N 3.43Å
244	E	90.4	Very high	88.2	Confident	109 Å²	109	72.6 Å²	72.6	51%	0.509	36%	0.357	S	S	.	.	H	α-helix	trans	-60.4	-44	172.3	-72	172.1	-170.2	0	0	111.3	R240 T241 F246 S247 D248	R240-E244 WeakPolarHBondContact O-CG 3.26Å; R240-E244 PolarHBondContact O-N 3.45Å; T241-E244 PolarHBondContact O-N 3.35Å; E244-F246 PolarHBondContact O-N 3.21Å; E244-S247 PolarHBondContact O-N 3.06Å; E244-D248 WeakPolarHBondContact O-CB 3.38Å; E244-D248 PolarHBondContact O-N 3.04Å
245	Q	88.4	Confident	89.1	Confident	66 Å²	66	70.8 Å²	70.8	31%	0.308	34%	0.341	S	S	.	.	H	α-helix	trans	-64.5	-37.3	175.8	-78.2	-177.1	73.6	0	0	113.4	T241 E242 R243 D248 F249	T241-Q245 WeakPolarHBondContact O-CG 3.01Å; T241-Q245 PolarHBondContact O-N 3.38Å; E242-Q245 CarbonylContact O-C 3.57Å; E242-Q245 WeakPolarHBondContact O-CB 3.42Å; E242-Q245 PolarHBondContact O-N 3.43Å; E242-Q245 PolarHBondContact OE2-NE2 2.95Å; R243-Q245 VanDerWaalsContact C-N 3.34Å; R243-Q245 PolarHBondContact O-N 2.72Å; Q245-D248 PolarHBondContact O-N 3.27Å; Q245-F249 HydrophobicContact CB-CD2 4.41Å; Q245-F249 HydrophobicContact CG-CD2 4.39Å; Q245-F249 WeakPolarHBondContact O-CB 3.22Å; Q245-F249 PolarHBondContact O-N 3.33Å
246	F	91.4	Very high	89.8	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.009	34%	0.341	C	S	.	.	I	π-helix	trans	-57.1	-56.2	173.6	177.7	-89.5	0	0	0	109.5	E219 Y222 E242 R243 E244 D248 R250 D251 M258	E219-F246 HydrophobicContact CB-CD1 3.91Å; E219-F246 HydrophobicContact CB-CE1 3.91Å; E219-F246 HydrophobicContact CB-CG 4.47Å; E219-F246 HydrophobicContact CB-CZ 4.43Å; E219-F246 HydrophobicContact CG-CB 4.42Å; E219-F246 HydrophobicContact CG-CD1 3.88Å; E219-F246 HydrophobicContact CG-CE1 4.4Å; E219-F246 HydrophobicContact CG-CG 4.16Å; Y222-F246 HydrophobicContact CD1-CB 4.06Å; Y222-F246 AromaticContact CD1-CD2 3.53Å; Y222-F246 HydrophobicContact CD1-CD2 3.53Å; Y222-F246 HydrophobicContact CD1-CE2 4.39Å; Y222-F246 HydrophobicContact CD1-CG 4.18Å; Y222-F246 HydrophobicContact CD2-CD2 4.09Å; Y222-F246 HydrophobicContact CD2-CE2 4.41Å; Y222-F246 HydrophobicContact CE1-CB 4.11Å; Y222-F246 HydrophobicContact CE1-CD2 4.07Å; Y222-F246 AromaticContact CG-CD2 3.55Å; Y222-F246 HydrophobicContact CG-CD2 3.55Å; Y222-F246 AromaticContact CG-CE2 3.98Å; Y222-F246 HydrophobicContact CG-CE2 3.98Å; E242-F246 PolarHBondContact O-N 3.49Å; R243-F246 WeakPolarHBondContact O-CB 3.17Å; R243-F246 PolarHBondContact O-N 3.28Å; E244-F246 PolarHBondContact O-N 3.21Å; F246-D248 VanDerWaalsContact C-N 3.29Å; F246-D248 PolarHBondContact O-N 3.24Å; F246-R250 HydrophobicContact CD2-CB 3.84Å; F246-R250 HydrophobicContact CD2-CG 4.22Å; F246-R250 HydrophobicContact CE2-CB 4.3Å; F246-R250 HydrophobicContact CG-CB 4.27Å; F246-R250 WeakPolarHBondContact O-CA 3.45Å; F246-R250 WeakPolarHBondContact O-CB 3.13Å; F246-R250 PolarHBondContact O-N 2.92Å; F246-D251 HydrophobicContact CD1-CB 4.44Å; F246-D251 HydrophobicContact CE1-CB 4.06Å; F246-D251 PolarHBondContact O-N 3.37Å; F246-M258 HydrophobicContact CE2-CE 4.19Å; F246-M258 HydrophobicContact CE2-CG 3.61Å; F246-M258 HydrophobicContact CE2-SD 4Å; F246-M258 HydrophobicContact CZ-CG 3.88Å
247	S	91.9	Very high	90.3	Very high	50 Å²	50	69.3 Å²	69.3	35%	0.35	34%	0.34	S	S	.	.	I	π-helix	trans	-61.9	-35.9	-179.7	-171.2	0	0	0	0	112.2	R243 E244 K254	R243-S247 PolarHBondContact O-N 3.43Å; E244-S247 PolarHBondContact O-N 3.06Å; S247-K254 PolarHBondContact O-NZ 3.23Å
248	D	90.6	Very high	90.8	Very high	101 Å²	101	64.1 Å²	64.1	54%	0.54	31%	0.313	S	S	.	.	I	π-helix	trans	-81.4	-40.1	-176	-80.3	-17	0	0	0	113.8	E244 Q245 F246 K254	E244-D248 WeakPolarHBondContact O-CB 3.38Å; E244-D248 PolarHBondContact O-N 3.04Å; Q245-D248 PolarHBondContact O-N 3.27Å; F246-D248 VanDerWaalsContact C-N 3.29Å; F246-D248 PolarHBondContact O-N 3.24Å; D248-K254 PolarHBondContact O-NZ 2.81Å
249	F	88.9	Confident	91.4	Very high	129 Å²	129	60.8 Å²	60.8	57%	0.566	30%	0.303	S	S	*	.	I	π-helix	trans	-124.1	-19.3	-166.1	-60.8	-75.2	0	0	0	115.6	Q245	Q245-F249 HydrophobicContact CB-CD2 4.41Å; Q245-F249 HydrophobicContact CG-CD2 4.39Å; Q245-F249 WeakPolarHBondContact O-CB 3.22Å; Q245-F249 PolarHBondContact O-N 3.33Å
250	R	91.1	Very high	91.8	Very high	54 Å²	54	65.1 Å²	65.1	20%	0.204	32%	0.324	C	S	.	.	I	π-helix	trans	-97.1	-51.3	-178.8	-57	-64.4	179.3	-97.6	-9.1	110.8	Y222 F246 L252 M258	Y222-R250 HydrophobicContact CE2-CG 4.45Å; Y222-R250 PolarHBondContact OH-NE 3.37Å; F246-R250 HydrophobicContact CD2-CB 3.84Å; F246-R250 HydrophobicContact CD2-CG 4.22Å; F246-R250 HydrophobicContact CE2-CB 4.3Å; F246-R250 HydrophobicContact CG-CB 4.27Å; F246-R250 WeakPolarHBondContact O-CA 3.45Å; F246-R250 WeakPolarHBondContact O-CB 3.13Å; F246-R250 PolarHBondContact O-N 2.92Å; R250-L252 PolarHBondContact O-N 2.89Å; R250-M258 HydrophobicContact CB-CG 4.18Å; R250-M258 HydrophobicContact CB-SD 3.68Å; R250-M258 HydrophobicContact CG-SD 4.41Å
251	D	93.9	Very high	92.2	Very high	5 Å²	5	64.6 Å²	64.6	3%	0.027	33%	0.331	C	S	.	.			trans	-79.8	93.5	170.3	177.4	6.9	0	0	0	108.9	F246 N253 K254 D255 G256	F246-D251 HydrophobicContact CD1-CB 4.44Å; F246-D251 HydrophobicContact CE1-CB 4.06Å; F246-D251 PolarHBondContact O-N 3.37Å; D251-N253 PolarHBondContact OD1-OD1 2.89Å; D251-K254 VanDerWaalsContact CG-CA 3.49Å; D251-K254 WeakPolarHBondContact O-CD 3.45Å; D251-K254 WeakPolarHBondContact O-CE 3.49Å; D251-K254 PolarHBondContact O-NZ 3.28Å; D251-K254 WeakPolarHBondContact OD1-CA 3.44Å; D251-K254 PolarHBondContact OD1-N 3.42Å; D251-K254 VanDerWaalsContact OD2-CA 3.27Å; D251-K254 WeakPolarHBondContact OD2-CA 3.39Å; D251-D255 PolarHBondContact OD1-N 2.85Å; D251-D255 VanDerWaalsContact OD1-N 3.14Å; D251-D255 PolarHBondContact OD2-N 3.31Å; D251-G256 VanDerWaalsContact OD2-CA 3.3Å; D251-G256 WeakPolarHBondContact OD2-CA 3.27Å; D251-G256 PolarHBondContact OD2-N 2.88Å
252	L	93.4	Very high	92.6	Very high	79 Å²	79	61.9 Å²	61.9	41%	0.414	31%	0.314	S	S	.	.	S	Bend	trans	-78.7	-36.6	-177.4	-62.9	177.3	0	0	0	110.9	R250 E262	R250-L252 PolarHBondContact O-N 2.89Å; L252-E262 WeakPolarHBondContact CA-OE1 3.18Å; L252-E262 HydrophobicContact CB-CG 4.2Å; L252-E262 WeakPolarHBondContact CB-OE1 3.4Å; L252-E262 HydrophobicContact CD1-CG 4.17Å; L252-E262 HydrophobicContact CG-CG 4.15Å; L252-E262 PolarHBondContact N-OE1 3.48Å
253	N	94.6	Very high	92.8	Very high	81 Å²	81	60.7 Å²	60.7	43%	0.433	31%	0.308	S	S	.	.	S	Bend	trans	-84.7	-10.8	-176.4	76.2	35.3	0	0	0	113.2	D251 D255 E262	D251-N253 PolarHBondContact OD1-OD1 2.89Å; N253-D255 WeakPolarHBondContact OD1-CB 3.26Å; N253-D255 PolarHBondContact OD1-N 3.34Å; N253-D255 PolarHBondContact OD1-OD1 3.36Å; N253-E262 PolarHBondContact N-OE1 3.27Å; N253-E262 PolarHBondContact ND2-OE1 3.28Å
254	K	95.4	Very high	92.8	Very high	116 Å²	116	62 Å²	62	50%	0.504	31%	0.313	S	S	.	.			trans	65.4	35	179.6	-49.5	-60.1	175.8	-156	0	114	S247 D248 D251	S247-K254 PolarHBondContact O-NZ 3.23Å; D248-K254 PolarHBondContact O-NZ 2.81Å; D251-K254 VanDerWaalsContact CG-CA 3.49Å; D251-K254 WeakPolarHBondContact O-CD 3.45Å; D251-K254 WeakPolarHBondContact O-CE 3.49Å; D251-K254 PolarHBondContact O-NZ 3.28Å; D251-K254 WeakPolarHBondContact OD1-CA 3.44Å; D251-K254 PolarHBondContact OD1-N 3.42Å; D251-K254 VanDerWaalsContact OD2-CA 3.27Å; D251-K254 WeakPolarHBondContact OD2-CA 3.39Å
255	D	94.8	Very high	92.7	Very high	83 Å²	83	62.2 Å²	62.2	44%	0.444	31%	0.314	S	S	.	.	S	Bend	trans	-94.4	-0.3	177.9	83.2	-9.4	0	0	0	114.2	D251 N253 K257	D251-D255 PolarHBondContact OD1-N 2.85Å; D251-D255 VanDerWaalsContact OD1-N 3.14Å; D251-D255 PolarHBondContact OD2-N 3.31Å; N253-D255 WeakPolarHBondContact OD1-CB 3.26Å; N253-D255 PolarHBondContact OD1-N 3.34Å; N253-D255 PolarHBondContact OD1-OD1 3.36Å; D255-K257 WeakPolarHBondContact OD1-CG 3.11Å; D255-K257 PolarHBondContact OD1-N 3.39Å; D255-K257 WeakPolarHBondContact OD2-CE 3.11Å
256	G	94.1	Very high	92.6	Very high	41 Å²	41	62.2 Å²	62.2	42%	0.423	31%	0.311	S	S	.	.	S	Bend	trans	91.1	7.4	174.2	0	0	0	0	0	114.7	D251	D251-G256 VanDerWaalsContact OD2-CA 3.3Å; D251-G256 WeakPolarHBondContact OD2-CA 3.27Å; D251-G256 PolarHBondContact OD2-N 2.88Å
257	K	95.9	Very high	92.2	Very high	57 Å²	57	64.5 Å²	64.5	25%	0.248	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	161.3	-177.3	54.2	-176.8	-176.2	154.6	0	109.9	H216 V217 D255	H216-K257 HydrophobicContact CB-CB 4.11Å; H216-K257 HydrophobicContact CB-CD 3.74Å; H216-K257 HydrophobicContact CB-CG 4.21Å; H216-K257 PolarHBondContact CD2-NZ 3.09Å; H216-K257 VanDerWaalsContact CD2-NZ 3.26Å; H216-K257 PolarHBondContact CE1-NZ 3.48Å; H216-K257 VanDerWaalsContact CE1-NZ 3.31Å; H216-K257 PolarHBondContact ND1-NZ 3.31Å; H216-K257 PolarHBondContact NE2-NZ 3.26Å; V217-K257 CarbonylContact O-C 3.59Å; V217-K257 WeakPolarHBondContact O-CA 3.45Å; D255-K257 WeakPolarHBondContact OD1-CG 3.11Å; D255-K257 PolarHBondContact OD1-N 3.39Å; D255-K257 WeakPolarHBondContact OD2-CE 3.11Å
258	M	95.5	Very high	91.7	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.5	173.1	-63.6	-173.4	-56	0	0	111.3	H216 V217 Y222 F246 R250 E262 I263 W266	H216-M258 WeakPolarHBondContact CA-O 3.44Å; H216-M258 WeakPolarHBondContact CB-O 3.37Å; V217-M258 HydrophobicContact CB-CB 4.3Å; V217-M258 HydrophobicContact CB-CE 3.71Å; V217-M258 HydrophobicContact CG1-CE 3.63Å; V217-M258 HydrophobicContact CG2-CE 4.28Å; V217-M258 PolarHBondContact N-O 3.14Å; V217-M258 PolarHBondContact O-N 3.49Å; Y222-M258 HydrophobicContact CD2-CE 4.09Å; F246-M258 HydrophobicContact CE2-CE 4.19Å; F246-M258 HydrophobicContact CE2-CG 3.61Å; F246-M258 HydrophobicContact CE2-SD 4Å; F246-M258 HydrophobicContact CZ-CG 3.88Å; R250-M258 HydrophobicContact CB-CG 4.18Å; R250-M258 HydrophobicContact CB-SD 3.68Å; R250-M258 HydrophobicContact CG-SD 4.41Å; M258-E262 VanDerWaalsContact CA-OE2 3.27Å; M258-E262 WeakPolarHBondContact CA-OE2 3.27Å; M258-E262 HydrophobicContact CB-CB 4.19Å; M258-E262 HydrophobicContact CG-CB 4.42Å; M258-I263 HydrophobicContact CB-CG1 4.02Å; M258-I263 HydrophobicContact CE-CG1 3.97Å; M258-I263 HydrophobicContact SD-CG1 4.43Å; M258-W266 HydrophobicContact CE-CE3 3.75Å; M258-W266 HydrophobicContact CE-CZ3 3.74Å; M258-W266 HydrophobicContact SD-CE3 4.08Å
259	D	95.3	Very high	91.2	Very high	46 Å²	46	61.2 Å²	61.2	25%	0.246	30%	0.304	C	S	.	.			trans	-87.7	179.1	164.8	69.5	37.8	0	0	0	112.6	D261 E262 I263	D259-D261 VanDerWaalsContact C-N 3.29Å; D259-D261 PolarHBondContact O-N 3.28Å; D259-D261 WeakPolarHBondContact OD1-CA 3.43Å; D259-D261 WeakPolarHBondContact OD1-CB 3.44Å; D259-D261 PolarHBondContact OD1-N 3.35Å; D259-E262 PolarHBondContact N-OE2 2.76Å; D259-E262 PolarHBondContact O-N 3.22Å; D259-E262 PolarHBondContact OD1-N 3.48Å; D259-I263 VanDerWaalsContact O-CG1 3.27Å; D259-I263 WeakPolarHBondContact O-CG1 3.35Å; D259-I263 PolarHBondContact O-N 3.04Å
260	Q	93.9	Very high	90.3	Very high	91 Å²	91	63.4 Å²	63.4	43%	0.425	32%	0.316	S	S	.	.	H	α-helix	trans	-63.4	-31.8	-179.5	-70.1	-174.8	18.6	0	0	113.5	V202 L206 R264	V202-Q260 HydrophobicContact CG1-CB 3.88Å; V202-Q260 HydrophobicContact CG1-CG 4.27Å; V202-Q260 WeakPolarHBondContact CG1-O 3.27Å; L206-Q260 HydrophobicContact CD2-CG 3.89Å; Q260-R264 VanDerWaalsContact O-CB 3.29Å; Q260-R264 WeakPolarHBondContact O-CB 3.45Å; Q260-R264 PolarHBondContact O-N 2.8Å
261	D	93.6	Very high	89.4	Confident	124 Å²	124	69 Å²	69	66%	0.663	35%	0.349	S	S	*	.	H	α-helix	trans	-73.4	-39.3	180	-74.2	-28.2	0	0	0	110.2	D259 R264 Q265	D259-D261 VanDerWaalsContact C-N 3.29Å; D259-D261 PolarHBondContact O-N 3.28Å; D259-D261 WeakPolarHBondContact OD1-CA 3.43Å; D259-D261 WeakPolarHBondContact OD1-CB 3.44Å; D259-D261 PolarHBondContact OD1-N 3.35Å; D261-R264 WeakPolarHBondContact O-CB 3.47Å; D261-R264 PolarHBondContact O-N 2.86Å; D261-Q265 PolarHBondContact O-N 2.98Å
262	E	94.4	Very high	88.6	Confident	9 Å²	9	74.5 Å²	74.5	4%	0.042	37%	0.371	C	S	.	.	H	α-helix	trans	-64.8	-44.4	173.3	-72.1	168.3	150.2	0	0	111.7	L252 N253 M258 D259 R264 Q265 W266	L252-E262 WeakPolarHBondContact CA-OE1 3.18Å; L252-E262 HydrophobicContact CB-CG 4.2Å; L252-E262 WeakPolarHBondContact CB-OE1 3.4Å; L252-E262 HydrophobicContact CD1-CG 4.17Å; L252-E262 HydrophobicContact CG-CG 4.15Å; L252-E262 PolarHBondContact N-OE1 3.48Å; N253-E262 PolarHBondContact N-OE1 3.27Å; N253-E262 PolarHBondContact ND2-OE1 3.28Å; M258-E262 VanDerWaalsContact CA-OE2 3.27Å; M258-E262 WeakPolarHBondContact CA-OE2 3.27Å; M258-E262 HydrophobicContact CB-CB 4.19Å; M258-E262 HydrophobicContact CG-CB 4.42Å; D259-E262 PolarHBondContact N-OE2 2.76Å; D259-E262 PolarHBondContact O-N 3.22Å; D259-E262 PolarHBondContact OD1-N 3.48Å; E262-R264 VanDerWaalsContact C-N 3.33Å; E262-R264 PolarHBondContact O-N 3.03Å; E262-Q265 PolarHBondContact O-N 2.79Å; E262-W266 WeakPolarHBondContact O-CB 3.46Å; E262-W266 PolarHBondContact O-N 2.98Å
263	I	91.4	Very high	88.2	Confident	0 Å²	0	73 Å²	73	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-59.5	-44.9	172.7	-68.4	166.8	0	0	0	110.4	V202 T205 L206 V217 M258 D259 Q265 W266 I267	V202-I263 HydrophobicContact CG1-CB 4.26Å; V202-I263 HydrophobicContact CG1-CG2 4.04Å; T205-I263 HydrophobicContact CG2-CG2 4.02Å; L206-I263 HydrophobicContact CB-CD1 3.84Å; L206-I263 HydrophobicContact CD1-CD1 3.73Å; L206-I263 HydrophobicContact CG-CD1 4.31Å; V217-I263 HydrophobicContact CG2-CD1 3.93Å; M258-I263 HydrophobicContact CB-CG1 4.02Å; M258-I263 HydrophobicContact CE-CG1 3.97Å; M258-I263 HydrophobicContact SD-CG1 4.43Å; D259-I263 VanDerWaalsContact O-CG1 3.27Å; D259-I263 WeakPolarHBondContact O-CG1 3.35Å; D259-I263 PolarHBondContact O-N 3.04Å; I263-Q265 VanDerWaalsContact C-N 3.31Å; I263-Q265 PolarHBondContact O-N 3.11Å; I263-W266 WeakPolarHBondContact O-CB 3.38Å; I263-W266 PolarHBondContact O-N 3.2Å; I263-W266 VanDerWaalsContact O-N 3.12Å; I263-I267 HydrophobicContact CG2-CD1 4.15Å; I263-I267 HydrophobicContact CG2-CG2 4.45Å; I263-I267 WeakPolarHBondContact O-CG1 3.46Å; I263-I267 PolarHBondContact O-N 2.91Å
264	R	90.1	Very high	87.6	Confident	60 Å²	60	74.4 Å²	74.4	23%	0.226	37%	0.367	C	S	.	.	H	α-helix	trans	-57.3	-45.3	176.9	-174.7	179.6	175.6	105.8	-0.9	111.3	E195 V202 Q260 D261 E262 W266 M268	E195-R264 IonicContact OE1-NH2 3.7Å; E195-R264 PolarHBondContact OE1-NH2 2.97Å; V202-R264 HydrophobicContact CG1-CB 4.43Å; V202-R264 HydrophobicContact CG2-CB 3.62Å; V202-R264 HydrophobicContact CG2-CG 3.85Å; Q260-R264 VanDerWaalsContact O-CB 3.29Å; Q260-R264 WeakPolarHBondContact O-CB 3.45Å; Q260-R264 PolarHBondContact O-N 2.8Å; D261-R264 WeakPolarHBondContact O-CB 3.47Å; D261-R264 PolarHBondContact O-N 2.86Å; E262-R264 VanDerWaalsContact C-N 3.33Å; E262-R264 PolarHBondContact O-N 3.03Å; R264-W266 VanDerWaalsContact C-N 3.29Å; R264-W266 PolarHBondContact O-N 3.29Å; R264-M268 HydrophobicContact CG-CE 4.48Å; R264-M268 CarbonylContact O-C 3.5Å; R264-M268 VanDerWaalsContact O-C 3.28Å; R264-M268 WeakPolarHBondContact O-CA 3.43Å; R264-M268 WeakPolarHBondContact O-CB 3.32Å; R264-M268 PolarHBondContact O-N 2.66Å; R264-M268 VanDerWaalsContact O-O 3.12Å
265	Q	88.3	Confident	87.2	Confident	112 Å²	112	68.9 Å²	68.9	52%	0.523	34%	0.343	S	S	.	.	H	α-helix	trans	-67.1	-32.6	178.5	-176.9	170.6	-29.6	0	0	112.4	D261 E262 I263 P269	D261-Q265 PolarHBondContact O-N 2.98Å; E262-Q265 PolarHBondContact O-N 2.79Å; I263-Q265 VanDerWaalsContact C-N 3.31Å; I263-Q265 PolarHBondContact O-N 3.11Å; Q265-P269 WeakPolarHBondContact O-CA 3.42Å
266	W	87.1	Confident	87.1	Confident	66 Å²	66	66.4 Å²	66.4	25%	0.25	33%	0.329	C	S	.	.	H	α-helix	trans	-69.4	-50.6	176.8	173.3	33	0	0	0	112.4	I209 Y222 M258 E262 I263 R264	I209-W266 HydrophobicContact CD1-CH2 3.97Å; I209-W266 HydrophobicContact CD1-CZ3 3.76Å; Y222-W266 AromaticContact CD2-CH2 3.89Å; Y222-W266 HydrophobicContact CD2-CH2 3.89Å; Y222-W266 HydrophobicContact CD2-CZ2 4.32Å; Y222-W266 HydrophobicContact CD2-CZ3 4.2Å; Y222-W266 AromaticContact CE2-CH2 3.59Å; Y222-W266 HydrophobicContact CE2-CH2 3.59Å; Y222-W266 AromaticContact CE2-CZ2 3.55Å; Y222-W266 HydrophobicContact CE2-CZ2 3.55Å; Y222-W266 HydrophobicContact CE2-CZ3 4.12Å; M258-W266 HydrophobicContact CE-CE3 3.75Å; M258-W266 HydrophobicContact CE-CZ3 3.74Å; M258-W266 HydrophobicContact SD-CE3 4.08Å; E262-W266 WeakPolarHBondContact O-CB 3.46Å; E262-W266 PolarHBondContact O-N 2.98Å; I263-W266 WeakPolarHBondContact O-CB 3.38Å; I263-W266 PolarHBondContact O-N 3.2Å; I263-W266 VanDerWaalsContact O-N 3.12Å; R264-W266 VanDerWaalsContact C-N 3.29Å; R264-W266 PolarHBondContact O-N 3.29Å
267	I	82.4	Confident	86.7	Confident	51 Å²	51	65.6 Å²	65.6	26%	0.262	32%	0.318	S	S	.	.	H	α-helix	trans	-87.6	-22.8	-174.3	71.9	-178.2	0	0	0	113.6	V201 V202 T205 I263	V201-I267 HydrophobicContact CG1-CD1 4.02Å; V202-I267 HydrophobicContact CG2-CD1 4.08Å; T205-I267 HydrophobicContact CG2-CD1 4.38Å; T205-I267 HydrophobicContact CG2-CG2 4.15Å; I263-I267 HydrophobicContact CG2-CD1 4.15Å; I263-I267 HydrophobicContact CG2-CG2 4.45Å; I263-I267 WeakPolarHBondContact O-CG1 3.46Å; I263-I267 PolarHBondContact O-N 2.91Å
268	M	81.9	Confident	86.4	Confident	33 Å²	33	64.8 Å²	64.8	16%	0.163	32%	0.315	C	S	.	.	S	Bend	trans	-137.9	73.1	179.6	-73.3	177	-77.9	0	0	110.1	K198 V201 V202 R264 Q270	K198-M268 HydrophobicContact CB-CE 3.93Å; K198-M268 HydrophobicContact CB-SD 3.9Å; K198-M268 HydrophobicContact CD-SD 3.63Å; K198-M268 HydrophobicContact CG-CE 4.27Å; K198-M268 HydrophobicContact CG-SD 3.55Å; K198-M268 VanDerWaalsContact CG-SD 3.55Å; V201-M268 HydrophobicContact CB-CE 4.09Å; V201-M268 HydrophobicContact CG1-CE 4.19Å; V202-M268 HydrophobicContact CG2-CE 3.57Å; R264-M268 HydrophobicContact CG-CE 4.48Å; R264-M268 CarbonylContact O-C 3.5Å; R264-M268 VanDerWaalsContact O-C 3.28Å; R264-M268 WeakPolarHBondContact O-CA 3.43Å; R264-M268 WeakPolarHBondContact O-CB 3.32Å; R264-M268 PolarHBondContact O-N 2.66Å; R264-M268 VanDerWaalsContact O-O 3.12Å; M268-Q270 PolarHBondContact O-N 3.32Å
269	P	78.7	Confident	86.2	Confident	48 Å²	48	64.8 Å²	64.8	31%	0.312	32%	0.315	S	S	.	.			trans	-63.9	124.4	178.7	-3.8	16	0	0	0	109.3	Q265 D271 Y272	Q265-P269 WeakPolarHBondContact O-CA 3.42Å; P269-D271 PolarHBondContact O-N 3.16Å; P269-D271 VanDerWaalsContact O-N 3.08Å; P269-Y272 PolarHBondContact O-N 3.27Å; P269-Y272 VanDerWaalsContact O-N 3.1Å
270	Q	70.6	Confident	86.1	Confident	176 Å²	176	68.8 Å²	68.8	82%	0.822	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.7	-174.7	-65.2	-158.3	32.2	0	0	113.8	M268	M268-Q270 PolarHBondContact O-N 3.32Å
271	D	72.6	Confident	85.9	Confident	170 Å²	170	68.4 Å²	68.4	91%	0.909	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	2.1	-177.1	-60.7	-37.7	0	0	0	113.5	P269	P269-D271 PolarHBondContact O-N 3.16Å; P269-D271 VanDerWaalsContact O-N 3.08Å
272	Y	77.6	Confident	85.8	Confident	121 Å²	121	62.5 Å²	62.5	48%	0.475	29%	0.293	S	S	.	.			trans	-102.4	107.9	-177	-165.1	-93.6	0	0	0	112	P269 H274 A277	P269-Y272 PolarHBondContact O-N 3.27Å; P269-Y272 VanDerWaalsContact O-N 3.1Å; Y272-H274 AromaticContact CD1-CD2 3.7Å; Y272-H274 AromaticContact CD1-CE1 3.66Å; Y272-H274 AromaticContact CD1-CG 3.87Å; Y272-H274 AromaticContact CD1-ND1 3.88Å; Y272-H274 AromaticContact CD1-NE2 3.55Å; Y272-H274 HydrophobicContact CE1-CB 4.33Å; Y272-H274 AromaticContact CE1-CD2 3.95Å; Y272-H274 AromaticContact CE1-CE1 3.44Å; Y272-H274 VanDerWaalsContact CE1-CE1 3.44Å; Y272-H274 WeakPolarHBondContact CE1-CE1 3.43Å; Y272-H274 AromaticContact CE1-CG 3.64Å; Y272-H274 AromaticContact CE1-ND1 3.34Å; Y272-H274 VanDerWaalsContact CE1-ND1 3.34Å; Y272-H274 WeakPolarHBondContact CE1-ND1 3.04Å; Y272-H274 AromaticContact CE1-NE2 3.81Å; Y272-A277 HydrophobicContact CE1-CB 4.46Å; Y272-A277 HydrophobicContact CE2-CB 4.44Å; Y272-A277 WeakPolarHBondContact OH-CB 3.47Å
273	D	84.1	Confident	85.8	Confident	49 Å²	49	62.5 Å²	62.5	26%	0.262	29%	0.294	S	S	.	.			trans	-97.5	102.1	172.8	-176.7	-13.8	0	0	0	109.5	N99 K103 A275 Q276 A277	N99-D273 PolarHBondContact ND2-OD2 3.35Å; K103-D273 VanDerWaalsContact CE-OD1 3.31Å; K103-D273 WeakPolarHBondContact CE-OD1 3.45Å; K103-D273 WeakPolarHBondContact CE-OD2 3.36Å; K103-D273 IonicContact NZ-OD1 3.61Å; K103-D273 IonicContact NZ-OD2 2.67Å; K103-D273 PolarHBondContact NZ-OD2 3.05Å; D273-A275 VanDerWaalsContact C-N 3.3Å; D273-A275 PolarHBondContact O-N 3.33Å; D273-A275 PolarHBondContact OD1-N 3.04Å; D273-A275 VanDerWaalsContact OD1-N 3.12Å; D273-Q276 HydrophobicContact CB-CB 3.74Å; D273-Q276 PolarHBondContact O-N 2.94Å; D273-Q276 PolarHBondContact OD1-N 2.66Å; D273-A277 PolarHBondContact O-N 3.39Å
274	H	81.9	Confident	85.9	Confident	109 Å²	109	71.2 Å²	71.2	51%	0.505	33%	0.328	S	S	.	.	H	α-helix	trans	-56.6	-42.9	179.2	-72.1	-89.3	0	0	0	112.1	Y272 Q276 A277 E278	Y272-H274 AromaticContact CD1-CD2 3.7Å; Y272-H274 AromaticContact CD1-CE1 3.66Å; Y272-H274 AromaticContact CD1-CG 3.87Å; Y272-H274 AromaticContact CD1-ND1 3.88Å; Y272-H274 AromaticContact CD1-NE2 3.55Å; Y272-H274 HydrophobicContact CE1-CB 4.33Å; Y272-H274 AromaticContact CE1-CD2 3.95Å; Y272-H274 AromaticContact CE1-CE1 3.44Å; Y272-H274 VanDerWaalsContact CE1-CE1 3.44Å; Y272-H274 WeakPolarHBondContact CE1-CE1 3.43Å; Y272-H274 AromaticContact CE1-CG 3.64Å; Y272-H274 AromaticContact CE1-ND1 3.34Å; Y272-H274 VanDerWaalsContact CE1-ND1 3.34Å; Y272-H274 WeakPolarHBondContact CE1-ND1 3.04Å; Y272-H274 AromaticContact CE1-NE2 3.81Å; H274-Q276 VanDerWaalsContact C-N 3.34Å; H274-Q276 PolarHBondContact O-N 3.28Å; H274-A277 PolarHBondContact O-N 2.68Å; H274-E278 WeakPolarHBondContact O-CB 3.4Å; H274-E278 PolarHBondContact O-N 3.12Å
275	A	87.6	Confident	85.9	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-67.4	-36.7	180	0	0	0	0	0	111.5	N99 I102 K103 D273 A279	N99-A275 WeakPolarHBondContact OD1-CB 3.43Å; I102-A275 HydrophobicContact CB-CB 4.09Å; I102-A275 HydrophobicContact CG2-CB 3.63Å; K103-A275 HydrophobicContact CD-CB 4.41Å; K103-A275 HydrophobicContact CG-CB 3.61Å; D273-A275 VanDerWaalsContact C-N 3.3Å; D273-A275 PolarHBondContact O-N 3.33Å; D273-A275 PolarHBondContact OD1-N 3.04Å; D273-A275 VanDerWaalsContact OD1-N 3.12Å; A275-A279 VanDerWaalsContact O-CB 3.27Å; A275-A279 WeakPolarHBondContact O-CB 3.48Å; A275-A279 PolarHBondContact O-N 3.13Å
276	Q	91.3	Very high	86.1	Confident	31 Å²	31	67.5 Å²	67.5	15%	0.145	31%	0.314	C	S	.	.	H	α-helix	trans	-67.7	-39.5	172.5	-172.7	71.3	20	0	0	112.1	N99 D273 H274 R280	N99-Q276 VanDerWaalsContact CB-OE1 3.3Å; N99-Q276 VanDerWaalsContact CG-OE1 3.3Å; N99-Q276 PolarHBondContact ND2-OE1 3.3Å; D273-Q276 HydrophobicContact CB-CB 3.74Å; D273-Q276 PolarHBondContact O-N 2.94Å; D273-Q276 PolarHBondContact OD1-N 2.66Å; H274-Q276 VanDerWaalsContact C-N 3.34Å; H274-Q276 PolarHBondContact O-N 3.28Å; Q276-R280 VanDerWaalsContact CG-CZ 3.41Å; Q276-R280 VanDerWaalsContact CG-NH1 3.26Å; Q276-R280 WeakPolarHBondContact O-CB 3.12Å; Q276-R280 WeakPolarHBondContact O-CG 3.21Å; Q276-R280 PolarHBondContact O-N 3.37Å; Q276-R280 PolarHBondContact O-NE 3.07Å
277	A	87.5	Confident	86.5	Confident	23 Å²	23	65.5 Å²	65.5	19%	0.19	31%	0.308	C	S	.	.	H	α-helix	trans	-61.9	-46.3	176.9	0	0	0	0	0	111	Y272 D273 H274 R280 H281	Y272-A277 HydrophobicContact CE1-CB 4.46Å; Y272-A277 HydrophobicContact CE2-CB 4.44Å; Y272-A277 WeakPolarHBondContact OH-CB 3.47Å; D273-A277 PolarHBondContact O-N 3.39Å; H274-A277 PolarHBondContact O-N 2.68Å; A277-R280 PolarHBondContact O-N 3.47Å; A277-H281 WeakPolarHBondContact O-CB 3.1Å; A277-H281 PolarHBondContact O-N 3.3Å
278	E	87.8	Confident	87.1	Confident	41 Å²	41	69.3 Å²	69.3	19%	0.192	33%	0.325	C	S	.	.	H	α-helix	trans	-63.7	-46.2	176.1	-176.4	66.5	179.3	0	0	112	I102 H274 R280 H281 L282 S309 Q310	I102-E278 HydrophobicContact CD1-CB 4.16Å; I102-E278 HydrophobicContact CD1-CG 3.93Å; H274-E278 WeakPolarHBondContact O-CB 3.4Å; H274-E278 PolarHBondContact O-N 3.12Å; E278-R280 VanDerWaalsContact C-N 3.32Å; E278-R280 PolarHBondContact O-N 2.9Å; E278-H281 WeakPolarHBondContact O-CB 3.3Å; E278-H281 PolarHBondContact O-N 3.49Å; E278-H281 VanDerWaalsContact O-N 3.12Å; E278-L282 HydrophobicContact CG-CD1 4.13Å; E278-L282 HydrophobicContact CG-CG 4.45Å; E278-L282 WeakPolarHBondContact O-CG 3.43Å; E278-L282 PolarHBondContact O-N 3.5Å; E278-S309 VanDerWaalsContact OE1-CB 3.3Å; E278-S309 WeakPolarHBondContact OE1-CB 3.32Å; E278-Q310 HydrophobicContact CG-CB 4.12Å; E278-Q310 HydrophobicContact CG-CG 4.18Å
279	A	93.3	Very high	87.7	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-57.7	-44.2	176.6	0	0	0	0	0	112	T95 L98 N99 I102 A275 H281 L282 V283	T95-A279 HydrophobicContact CG2-CB 3.94Å; L98-A279 HydrophobicContact CB-CB 4.05Å; L98-A279 HydrophobicContact CD2-CB 4.24Å; L98-A279 HydrophobicContact CG-CB 4.04Å; N99-A279 HydrophobicContact CB-CB 4.09Å; I102-A279 HydrophobicContact CD1-CB 4.15Å; A275-A279 VanDerWaalsContact O-CB 3.27Å; A275-A279 WeakPolarHBondContact O-CB 3.48Å; A275-A279 PolarHBondContact O-N 3.13Å; A279-H281 VanDerWaalsContact C-N 3.34Å; A279-H281 PolarHBondContact O-N 2.71Å; A279-L282 PolarHBondContact O-N 3.26Å; A279-V283 WeakPolarHBondContact O-CG2 3.31Å; A279-V283 PolarHBondContact O-N 2.98Å
280	R	92.4	Very high	88.5	Confident	130 Å²	130	78.7 Å²	78.7	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-62.6	-41.5	175.8	-78.2	-174.9	-68.4	-120	-3.3	112.1	T95 Q276 A277 E278 Y284	T95-R280 HydrophobicContact CG2-CG 3.69Å; Q276-R280 VanDerWaalsContact CG-CZ 3.41Å; Q276-R280 VanDerWaalsContact CG-NH1 3.26Å; Q276-R280 WeakPolarHBondContact O-CB 3.12Å; Q276-R280 WeakPolarHBondContact O-CG 3.21Å; Q276-R280 PolarHBondContact O-N 3.37Å; Q276-R280 PolarHBondContact O-NE 3.07Å; A277-R280 PolarHBondContact O-N 3.47Å; E278-R280 VanDerWaalsContact C-N 3.32Å; E278-R280 PolarHBondContact O-N 2.9Å; R280-Y284 VanDerWaalsContact O-CB 3.24Å; R280-Y284 WeakPolarHBondContact O-CB 3.5Å; R280-Y284 PolarHBondContact O-N 3.13Å
281	H	89.3	Confident	89.7	Confident	82 Å²	82	73.3 Å²	73.3	38%	0.38	34%	0.341	S	S	.	.	H	α-helix	trans	-63	-47.3	177.5	177.3	-110	0	0	0	111.2	A277 E278 A279 V283 Y284 E285	A277-H281 WeakPolarHBondContact O-CB 3.1Å; A277-H281 PolarHBondContact O-N 3.3Å; E278-H281 WeakPolarHBondContact O-CB 3.3Å; E278-H281 PolarHBondContact O-N 3.49Å; E278-H281 VanDerWaalsContact O-N 3.12Å; A279-H281 VanDerWaalsContact C-N 3.34Å; A279-H281 PolarHBondContact O-N 2.71Å; H281-V283 PolarHBondContact O-N 3.12Å; H281-Y284 PolarHBondContact O-N 2.74Å; H281-E285 WeakPolarHBondContact O-CB 3.34Å; H281-E285 WeakPolarHBondContact O-CG 3.48Å; H281-E285 PolarHBondContact O-N 3.45Å
282	L	91.9	Very high	90.7	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.3	-42.2	178	-71.1	174.1	0	0	0	112.8	L98 I102 E278 A279 S286 M305 F306 A311	L98-L282 HydrophobicContact CD1-CD1 4.5Å; L98-L282 HydrophobicContact CD2-CB 3.71Å; L98-L282 HydrophobicContact CD2-CD1 3.86Å; L98-L282 HydrophobicContact CD2-CG 4.44Å; L98-L282 HydrophobicContact CG-CD1 4.38Å; I102-L282 HydrophobicContact CD1-CD1 4.26Å; E278-L282 HydrophobicContact CG-CD1 4.13Å; E278-L282 HydrophobicContact CG-CG 4.45Å; E278-L282 WeakPolarHBondContact O-CG 3.43Å; E278-L282 PolarHBondContact O-N 3.5Å; A279-L282 PolarHBondContact O-N 3.26Å; L282-S286 WeakPolarHBondContact O-CB 3.34Å; L282-S286 PolarHBondContact O-N 3.18Å; L282-S286 PolarHBondContact O-OG 3.42Å; L282-M305 HydrophobicContact CD2-CG 3.69Å; L282-F306 HydrophobicContact CB-CE1 4.17Å; L282-F306 HydrophobicContact CB-CZ 3.95Å; L282-F306 HydrophobicContact CD1-CD1 4.31Å; L282-F306 HydrophobicContact CD1-CE1 4.04Å; L282-F306 HydrophobicContact CD2-CD1 4.43Å; L282-F306 HydrophobicContact CD2-CE1 4.38Å; L282-F306 HydrophobicContact CD2-CG 4.5Å; L282-F306 HydrophobicContact CD2-CZ 4.4Å; L282-F306 HydrophobicContact CG-CE1 4.44Å; L282-A311 HydrophobicContact CD1-CB 4.11Å
283	V	95.2	Very high	91.6	Very high	10 Å²	10	69.4 Å²	69.4	6%	0.061	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-51	174	173.5	0	0	0	0	110.5	L98 A279 H281 E285 S286 D287 L294	L98-V283 HydrophobicContact CD2-CG2 4.29Å; A279-V283 WeakPolarHBondContact O-CG2 3.31Å; A279-V283 PolarHBondContact O-N 2.98Å; H281-V283 PolarHBondContact O-N 3.12Å; V283-E285 VanDerWaalsContact C-N 3.3Å; V283-E285 PolarHBondContact O-N 3.25Å; V283-S286 PolarHBondContact O-N 3.11Å; V283-S286 VanDerWaalsContact O-N 3.14Å; V283-D287 HydrophobicContact CG1-CB 4.34Å; V283-D287 WeakPolarHBondContact O-CB 3.46Å; V283-D287 PolarHBondContact O-N 3.18Å; V283-L294 HydrophobicContact CG2-CD1 4.04Å; V283-L294 HydrophobicContact CG2-CG 4.16Å
284	Y	92.1	Very high	92.2	Very high	182 Å²	182	67.1 Å²	67.1	71%	0.714	31%	0.309	S	S	*	.	H	α-helix	trans	-57.2	-41.1	-178.5	177.2	-96	0	0	0	113.3	R280 H281	R280-Y284 VanDerWaalsContact O-CB 3.24Å; R280-Y284 WeakPolarHBondContact O-CB 3.5Å; R280-Y284 PolarHBondContact O-N 3.13Å; H281-Y284 PolarHBondContact O-N 2.74Å
285	E	89.8	Confident	93	Very high	89 Å²	89	63.7 Å²	63.7	42%	0.416	30%	0.296	S	S	.	.	H	α-helix	trans	-79.2	-17.4	-178.6	-69.9	-61.7	140.3	0	0	113.7	H281 V283 N302 M305	H281-E285 WeakPolarHBondContact O-CB 3.34Å; H281-E285 WeakPolarHBondContact O-CG 3.48Å; H281-E285 PolarHBondContact O-N 3.45Å; V283-E285 VanDerWaalsContact C-N 3.3Å; V283-E285 PolarHBondContact O-N 3.25Å; E285-N302 PolarHBondContact O-ND2 3.28Å; E285-M305 HydrophobicContact CB-CE 4.05Å; E285-M305 HydrophobicContact CG-CE 4.04Å
286	S	93.4	Very high	93.4	Very high	5 Å²	5	66.5 Å²	66.5	4%	0.035	31%	0.308	C	S	.	.	H	α-helix	trans	-116.8	-18.2	-170.3	-48.2	0	0	0	0	114.6	L282 V283 Q288 N302 F306	L282-S286 WeakPolarHBondContact O-CB 3.34Å; L282-S286 PolarHBondContact O-N 3.18Å; L282-S286 PolarHBondContact O-OG 3.42Å; V283-S286 PolarHBondContact O-N 3.11Å; V283-S286 VanDerWaalsContact O-N 3.14Å; S286-Q288 PolarHBondContact O-N 3.07Å; S286-N302 PolarHBondContact OG-ND2 2.91Å; S286-F306 WeakPolarHBondContact OG-CE2 3.49Å
287	D	94.8	Very high	93.6	Very high	24 Å²	24	70.2 Å²	70.2	13%	0.128	33%	0.325	C	S	.	.			trans	-73.7	102.9	178.8	177.8	2.5	0	0	0	110.4	V283 D289 K290 D291 Q292 L294	V283-D287 HydrophobicContact CG1-CB 4.34Å; V283-D287 WeakPolarHBondContact O-CB 3.46Å; V283-D287 PolarHBondContact O-N 3.18Å; D287-D289 PolarHBondContact OD1-N 3.48Å; D287-K290 VanDerWaalsContact CG-CA 3.48Å; D287-K290 WeakPolarHBondContact OD1-CA 3.36Å; D287-K290 PolarHBondContact OD1-N 3.03Å; D287-K290 VanDerWaalsContact OD2-CA 3.23Å; D287-K290 WeakPolarHBondContact OD2-CA 3.46Å; D287-D291 PolarHBondContact OD1-N 3.24Å; D287-D291 PolarHBondContact OD2-N 3.15Å; D287-Q292 VanDerWaalsContact OD2-CA 3.26Å; D287-Q292 WeakPolarHBondContact OD2-CA 3.47Å; D287-Q292 PolarHBondContact OD2-N 3.27Å; D287-L294 HydrophobicContact CB-CD2 3.76Å; D287-L294 VanDerWaalsContact N-CD2 3.33Å
288	Q	95.1	Very high	94	Very high	131 Å²	131	69.7 Å²	69.7	61%	0.612	32%	0.319	S	S	*	.	S	Bend	trans	-82.3	-35.6	-173.5	-66.5	-176.5	30.3	0	0	112	S286 E298	S286-Q288 PolarHBondContact O-N 3.07Å; Q288-E298 HydrophobicContact CB-CG 4.41Å; Q288-E298 HydrophobicContact CG-CG 4.18Å; Q288-E298 PolarHBondContact N-OE1 2.91Å
289	D	95.3	Very high	94.4	Very high	105 Å²	105	67.7 Å²	67.7	56%	0.561	31%	0.31	S	S	*	.	S	Bend	trans	-94.7	-5.7	-176.8	76.5	8.5	0	0	0	114	D287 D291	D287-D289 PolarHBondContact OD1-N 3.48Å; D289-D291 VanDerWaalsContact OD1-CB 3.32Å; D289-D291 WeakPolarHBondContact OD1-CB 3.37Å; D289-D291 PolarHBondContact OD1-N 3.34Å
290	K	94.9	Very high	94.4	Very high	174 Å²	174	68.8 Å²	68.8	76%	0.757	32%	0.315	S	S	*	.			trans	67.1	32.4	174.6	-55	-173.4	178.3	-171.1	0	113.4	D287 Q292	D287-K290 VanDerWaalsContact CG-CA 3.48Å; D287-K290 WeakPolarHBondContact OD1-CA 3.36Å; D287-K290 PolarHBondContact OD1-N 3.03Å; D287-K290 VanDerWaalsContact OD2-CA 3.23Å; D287-K290 WeakPolarHBondContact OD2-CA 3.46Å; K290-Q292 VanDerWaalsContact C-N 3.3Å
291	D	95.4	Very high	94.5	Very high	62 Å²	62	66 Å²	66	33%	0.332	31%	0.31	S	S	.	.	S	Bend	trans	-87.8	3.1	177.3	82.3	-5.5	0	0	0	113.9	D287 D289 K293	D287-D291 PolarHBondContact OD1-N 3.24Å; D287-D291 PolarHBondContact OD2-N 3.15Å; D289-D291 VanDerWaalsContact OD1-CB 3.32Å; D289-D291 WeakPolarHBondContact OD1-CB 3.37Å; D289-D291 PolarHBondContact OD1-N 3.34Å; D291-K293 VanDerWaalsContact C-N 3.27Å; D291-K293 VanDerWaalsContact CG-CG 3.45Å; D291-K293 PolarHBondContact O-N 2.88Å; D291-K293 WeakPolarHBondContact OD1-CG 3.15Å; D291-K293 PolarHBondContact OD1-N 3.32Å; D291-K293 VanDerWaalsContact OD1-N 3.09Å; D291-K293 WeakPolarHBondContact OD2-CE 3.33Å; D291-K293 WeakPolarHBondContact OD2-CG 3.43Å; D291-K293 IonicContact OD2-NZ 3.99Å
292	Q	94.3	Very high	94.6	Very high	153 Å²	153	64.3 Å²	64.3	72%	0.715	30%	0.304	S	S	*	.	S	Bend	trans	69.5	15.5	178	-54.5	-177.3	-6.9	0	0	115.1	D287 K290	D287-Q292 VanDerWaalsContact OD2-CA 3.26Å; D287-Q292 WeakPolarHBondContact OD2-CA 3.47Å; D287-Q292 PolarHBondContact OD2-N 3.27Å; K290-Q292 VanDerWaalsContact C-N 3.3Å
293	K	95.7	Very high	94.4	Very high	57 Å²	57	66.2 Å²	66.2	25%	0.248	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	162.1	172.7	53.8	-178.2	-172.1	161.8	0	108.7	Y92 I93 D291	Y92-K293 HydrophobicContact CD1-CD 3.55Å; Y92-K293 VanDerWaalsContact CD1-CE 3.41Å; Y92-K293 HydrophobicContact CD1-CG 3.92Å; Y92-K293 HydrophobicContact CD2-CD 4.39Å; Y92-K293 HydrophobicContact CE1-CD 4.19Å; Y92-K293 VanDerWaalsContact CE1-NZ 3.33Å; Y92-K293 VanDerWaalsContact CE2-NZ 3.34Å; Y92-K293 HydrophobicContact CG-CD 3.67Å; Y92-K293 HydrophobicContact CG-CG 4.38Å; Y92-K293 VanDerWaalsContact CZ-NZ 3.3Å; I93-K293 WeakPolarHBondContact O-CA 3.33Å; D291-K293 VanDerWaalsContact C-N 3.27Å; D291-K293 VanDerWaalsContact CG-CG 3.45Å; D291-K293 PolarHBondContact O-N 2.88Å; D291-K293 WeakPolarHBondContact OD1-CG 3.15Å; D291-K293 PolarHBondContact OD1-N 3.32Å; D291-K293 VanDerWaalsContact OD1-N 3.09Å; D291-K293 WeakPolarHBondContact OD2-CE 3.33Å; D291-K293 WeakPolarHBondContact OD2-CG 3.43Å; D291-K293 IonicContact OD2-NZ 3.99Å
294	L	97.5	Very high	93.9	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128	-176.4	-62.7	179.8	0	0	0	110.3	Y92 I93 V283 D287 I299 F306	Y92-L294 CarbonylContact C-O 3.28Å; Y92-L294 WeakPolarHBondContact CA-O 3.22Å; I93-L294 HydrophobicContact CB-CB 4.34Å; I93-L294 PolarHBondContact N-O 3.39Å; I93-L294 PolarHBondContact O-N 3.24Å; V283-L294 HydrophobicContact CG2-CD1 4.04Å; V283-L294 HydrophobicContact CG2-CG 4.16Å; D287-L294 HydrophobicContact CB-CD2 3.76Å; D287-L294 VanDerWaalsContact N-CD2 3.33Å; L294-I299 HydrophobicContact CB-CD1 3.94Å; L294-I299 HydrophobicContact CB-CG1 3.89Å; L294-I299 HydrophobicContact CD1-CD1 4.14Å; L294-I299 HydrophobicContact CD1-CG1 3.81Å; L294-I299 HydrophobicContact CG-CG1 4.48Å; L294-F306 HydrophobicContact CD1-CE2 4.26Å; L294-F306 HydrophobicContact CD1-CZ 3.56Å
295	T	97.5	Very high	93.5	Very high	37 Å²	37	64.1 Å²	64.1	23%	0.227	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	155.2	162.8	65.1	0	0	0	0	110.2	Y92 Q297 E298 I299	Y92-T295 HydrophobicContact CD1-CG2 3.95Å; Y92-T295 HydrophobicContact CE1-CG2 3.76Å; T295-Q297 PolarHBondContact O-N 3.32Å; T295-Q297 VanDerWaalsContact O-N 3.15Å; T295-E298 WeakPolarHBondContact CB-OE2 3.36Å; T295-E298 PolarHBondContact N-OE2 2.7Å; T295-E298 PolarHBondContact O-N 3.01Å; T295-E298 VanDerWaalsContact O-N 3.12Å; T295-E298 WeakPolarHBondContact OG1-CG 3.28Å; T295-E298 PolarHBondContact OG1-N 3.44Å; T295-E298 PolarHBondContact OG1-OE2 3.44Å; T295-I299 PolarHBondContact O-N 3.12Å
296	K	96.1	Very high	93.4	Very high	60 Å²	60	59.9 Å²	59.9	26%	0.261	29%	0.291	S	S	.	.	H	α-helix	trans	-52.3	-36.5	171.7	177.5	161.4	-166.9	172.6	0	112.8	S79 V82 D83 L300	S79-K296 VanDerWaalsContact O-CE 3.24Å; S79-K296 WeakPolarHBondContact O-CE 3.15Å; S79-K296 PolarHBondContact O-NZ 2.86Å; S79-K296 WeakPolarHBondContact OG-CE 3.46Å; S79-K296 PolarHBondContact OG-NZ 2.95Å; V82-K296 HydrophobicContact CG1-CB 3.82Å; V82-K296 HydrophobicContact CG1-CD 3.93Å; V82-K296 HydrophobicContact CG1-CG 3.7Å; D83-K296 IonicContact OD1-NZ 2.67Å; D83-K296 PolarHBondContact OD1-NZ 2.97Å; D83-K296 IonicContact OD2-NZ 2.88Å; D83-K296 PolarHBondContact OD2-NZ 2.86Å; K296-L300 HydrophobicContact CG-CD1 3.96Å; K296-L300 HydrophobicContact CG-CG 4.42Å; K296-L300 WeakPolarHBondContact O-CB 3.41Å; K296-L300 VanDerWaalsContact O-CG 3.22Å; K296-L300 WeakPolarHBondContact O-CG 3.42Å; K296-L300 PolarHBondContact O-N 3.18Å; K296-L300 VanDerWaalsContact O-N 3.08Å
297	Q	96.4	Very high	92.9	Very high	109 Å²	109	59.9 Å²	59.9	51%	0.509	29%	0.291	S	S	.	.	H	α-helix	trans	-67.8	-42.5	-179.5	-173	58.4	48.6	0	0	111.7	T295 I299 L300 D301	T295-Q297 PolarHBondContact O-N 3.32Å; T295-Q297 VanDerWaalsContact O-N 3.15Å; Q297-I299 VanDerWaalsContact C-N 3.33Å; Q297-I299 PolarHBondContact O-N 2.99Å; Q297-L300 PolarHBondContact O-N 2.92Å; Q297-D301 PolarHBondContact NE2-OD1 3.02Å; Q297-D301 PolarHBondContact NE2-OD2 3.3Å; Q297-D301 WeakPolarHBondContact O-CB 2.84Å; Q297-D301 VanDerWaalsContact O-CG 3.29Å; Q297-D301 PolarHBondContact O-N 3.33Å
298	E	96.6	Very high	92.1	Very high	12 Å²	12	60.2 Å²	60.2	6%	0.056	30%	0.299	C	S	.	.	H	α-helix	trans	-60.7	-42.6	177.5	-75.4	165.7	130.2	0	0	112.2	Q288 T295 D301 N302	Q288-E298 HydrophobicContact CB-CG 4.41Å; Q288-E298 HydrophobicContact CG-CG 4.18Å; Q288-E298 PolarHBondContact N-OE1 2.91Å; T295-E298 WeakPolarHBondContact CB-OE2 3.36Å; T295-E298 PolarHBondContact N-OE2 2.7Å; T295-E298 PolarHBondContact O-N 3.01Å; T295-E298 VanDerWaalsContact O-N 3.12Å; T295-E298 WeakPolarHBondContact OG1-CG 3.28Å; T295-E298 PolarHBondContact OG1-N 3.44Å; T295-E298 PolarHBondContact OG1-OE2 3.44Å; E298-D301 PolarHBondContact O-N 3.48Å; E298-N302 PolarHBondContact O-N 3.12Å
299	I	95.2	Very high	91.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-43.5	175.7	-64.9	171.9	0	0	0	111.3	L78 V82 I93 L294 T295 Q297 D301 N302 W303 F306	L78-I299 HydrophobicContact CD1-CG2 4.48Å; L78-I299 HydrophobicContact CD2-CG2 4Å; L78-I299 HydrophobicContact CG-CG2 4.25Å; V82-I299 HydrophobicContact CG1-CD1 4.36Å; V82-I299 HydrophobicContact CG2-CB 4.16Å; V82-I299 HydrophobicContact CG2-CD1 4Å; V82-I299 HydrophobicContact CG2-CG2 3.53Å; I93-I299 HydrophobicContact CB-CD1 4.28Å; I93-I299 HydrophobicContact CD1-CD1 3.37Å; I93-I299 HydrophobicContact CG1-CD1 4.36Å; L294-I299 HydrophobicContact CB-CD1 3.94Å; L294-I299 HydrophobicContact CB-CG1 3.89Å; L294-I299 HydrophobicContact CD1-CD1 4.14Å; L294-I299 HydrophobicContact CD1-CG1 3.81Å; L294-I299 HydrophobicContact CG-CG1 4.48Å; T295-I299 PolarHBondContact O-N 3.12Å; Q297-I299 VanDerWaalsContact C-N 3.33Å; Q297-I299 PolarHBondContact O-N 2.99Å; I299-D301 VanDerWaalsContact C-N 3.34Å; I299-N302 CarbonylContact O-C 3.54Å; I299-N302 PolarHBondContact O-N 2.93Å; I299-W303 VanDerWaalsContact O-CA 3.28Å; I299-W303 WeakPolarHBondContact O-CA 3.27Å; I299-W303 PolarHBondContact O-N 3.2Å; I299-F306 HydrophobicContact CB-CD2 4.4Å; I299-F306 HydrophobicContact CB-CE2 4.15Å; I299-F306 HydrophobicContact CB-CZ 4.4Å; I299-F306 HydrophobicContact CD1-CE1 4.41Å; I299-F306 HydrophobicContact CD1-CZ 4.26Å; I299-F306 HydrophobicContact CG1-CE1 4.27Å; I299-F306 HydrophobicContact CG1-CE2 3.88Å; I299-F306 HydrophobicContact CG1-CZ 3.73Å; I299-F306 HydrophobicContact CG2-CB 4.43Å; I299-F306 HydrophobicContact CG2-CD1 3.97Å; I299-F306 HydrophobicContact CG2-CD2 3.71Å; I299-F306 HydrophobicContact CG2-CE1 4.14Å; I299-F306 HydrophobicContact CG2-CE2 3.88Å; I299-F306 HydrophobicContact CG2-CG 3.75Å; I299-F306 HydrophobicContact CG2-CZ 4.12Å
300	L	94.2	Very high	90.9	Very high	23 Å²	23	50.7 Å²	50.7	12%	0.12	25%	0.252	C	S	.	.	H	α-helix	trans	-72	-28.3	179.8	-68.2	178.3	0	0	0	113	R75 L78 K296 Q297 W303	R75-L300 HydrophobicContact CB-CD2 4.33Å; R75-L300 PolarHBondContact NH1-O 3.31Å; R75-L300 VanDerWaalsContact O-CD2 3.24Å; R75-L300 WeakPolarHBondContact O-CD2 3.36Å; L78-L300 HydrophobicContact CB-CD2 4.2Å; L78-L300 HydrophobicContact CD2-CD2 4.2Å; L78-L300 HydrophobicContact CG-CD2 4.16Å; K296-L300 HydrophobicContact CG-CD1 3.96Å; K296-L300 HydrophobicContact CG-CG 4.42Å; K296-L300 WeakPolarHBondContact O-CB 3.41Å; K296-L300 VanDerWaalsContact O-CG 3.22Å; K296-L300 WeakPolarHBondContact O-CG 3.42Å; K296-L300 PolarHBondContact O-N 3.18Å; K296-L300 VanDerWaalsContact O-N 3.08Å; Q297-L300 PolarHBondContact O-N 2.92Å; L300-W303 WeakPolarHBondContact O-CB 3.28Å
301	D	93.3	Very high	90.4	Very high	72 Å²	72	42.4 Å²	42.4	39%	0.385	22%	0.216	S	C	.	.	H	α-helix	trans	-73.1	-37.4	173.9	-73.7	-25	0	0	0	111.1	R75 Q297 E298 I299 W303	R75-D301 IonicContact NH1-OD1 3.91Å; Q297-D301 PolarHBondContact NE2-OD1 3.02Å; Q297-D301 PolarHBondContact NE2-OD2 3.3Å; Q297-D301 WeakPolarHBondContact O-CB 2.84Å; Q297-D301 VanDerWaalsContact O-CG 3.29Å; Q297-D301 PolarHBondContact O-N 3.33Å; E298-D301 PolarHBondContact O-N 3.48Å; I299-D301 VanDerWaalsContact C-N 3.34Å; D301-W303 VanDerWaalsContact C-N 3.33Å
302	N	91.2	Very high	89.8	Confident	45 Å²	45	39.5 Å²	39.5	24%	0.241	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	32.1	171.4	-156	15.3	0	0	0	113.6	E285 S286 E298 I299 N304 M305	E285-N302 PolarHBondContact O-ND2 3.28Å; S286-N302 PolarHBondContact OG-ND2 2.91Å; E298-N302 PolarHBondContact O-N 3.12Å; I299-N302 CarbonylContact O-C 3.54Å; I299-N302 PolarHBondContact O-N 2.93Å; N302-N304 PolarHBondContact O-N 2.76Å; N302-M305 WeakPolarHBondContact O-CB 3.24Å; N302-M305 PolarHBondContact O-N 3.31Å
303	W	88.9	Confident	89.1	Confident	41 Å²	41	33.2 Å²	33.2	16%	0.155	17%	0.172	C	C	.	.	H	α-helix	trans	-53.3	-37	-171.7	66.9	-80.5	0	0	0	113.6	F66 P71 R75 L78 I299 L300 D301 M305 F306 V307	F66-W303 HydrophobicContact CE1-CE3 4.44Å; F66-W303 HydrophobicContact CE1-CH2 4.17Å; F66-W303 AromaticContact CE1-CZ3 3.5Å; F66-W303 HydrophobicContact CE1-CZ3 3.5Å; F66-W303 AromaticContact CZ-CE3 3.86Å; F66-W303 HydrophobicContact CZ-CE3 3.86Å; F66-W303 HydrophobicContact CZ-CH2 4.2Å; F66-W303 AromaticContact CZ-CZ3 3.31Å; F66-W303 HydrophobicContact CZ-CZ3 3.31Å; P71-W303 HydrophobicContact CB-CH2 4.43Å; P71-W303 HydrophobicContact CB-CZ2 3.9Å; P71-W303 HydrophobicContact CG-CZ2 4.29Å; R75-W303 HydrophobicContact CG-CB 3.94Å; R75-W303 HydrophobicContact CG-CD2 4.38Å; R75-W303 HydrophobicContact CG-CG 3.77Å; R75-W303 VanDerWaalsContact NH2-CD1 3.26Å; L78-W303 HydrophobicContact CD2-CB 3.72Å; I299-W303 VanDerWaalsContact O-CA 3.28Å; I299-W303 WeakPolarHBondContact O-CA 3.27Å; I299-W303 PolarHBondContact O-N 3.2Å; L300-W303 WeakPolarHBondContact O-CB 3.28Å; D301-W303 VanDerWaalsContact C-N 3.33Å; W303-M305 VanDerWaalsContact C-N 3.25Å; W303-M305 PolarHBondContact O-N 3.33Å; W303-F306 PolarHBondContact O-N 3.09Å; W303-F306 VanDerWaalsContact O-N 3.17Å; W303-V307 HydrophobicContact CE3-CB 4.32Å; W303-V307 HydrophobicContact CE3-CG2 3.71Å; W303-V307 HydrophobicContact CZ3-CG2 4.26Å; W303-V307 WeakPolarHBondContact O-CB 3.46Å; W303-V307 VanDerWaalsContact O-CG2 3.25Å; W303-V307 WeakPolarHBondContact O-CG2 3.26Å; W303-V307 PolarHBondContact O-N 3.44Å
304	N	83.5	Confident	88.3	Confident	86 Å²	86	34.2 Å²	34.2	46%	0.46	17%	0.174	S	C	.	.	H	α-helix	trans	-62.9	-34	-176.3	-168	36.4	0	0	0	112.1	N302 G308	N302-N304 PolarHBondContact O-N 2.76Å; N304-G308 PolarHBondContact O-N 2.79Å
305	M	85.1	Confident	87	Confident	61 Å²	61	34.2 Å²	34.2	30%	0.3	18%	0.175	S	C	.	.	H	α-helix	trans	-64.1	-49.5	174.6	-176.4	64.4	75.3	0	0	110.7	L282 E285 N302 W303 S309	L282-M305 HydrophobicContact CD2-CG 3.69Å; E285-M305 HydrophobicContact CB-CE 4.05Å; E285-M305 HydrophobicContact CG-CE 4.04Å; N302-M305 WeakPolarHBondContact O-CB 3.24Å; N302-M305 PolarHBondContact O-N 3.31Å; W303-M305 VanDerWaalsContact C-N 3.25Å; W303-M305 PolarHBondContact O-N 3.33Å; M305-S309 WeakPolarHBondContact O-CB 3.4Å; M305-S309 PolarHBondContact O-N 2.9Å
306	F	86.6	Confident	86	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.9	-39.6	-178.4	-82.8	-92.9	0	0	0	113.2	L78 L98 L282 S286 L294 I299 W303 G308 S309 A311 T312	L78-F306 HydrophobicContact CD1-CB 4Å; L78-F306 HydrophobicContact CD2-CB 3.9Å; L98-F306 HydrophobicContact CD1-CE1 4.23Å; L98-F306 HydrophobicContact CD2-CE1 4.12Å; L98-F306 HydrophobicContact CD2-CZ 4.5Å; L282-F306 HydrophobicContact CB-CE1 4.17Å; L282-F306 HydrophobicContact CB-CZ 3.95Å; L282-F306 HydrophobicContact CD1-CD1 4.31Å; L282-F306 HydrophobicContact CD1-CE1 4.04Å; L282-F306 HydrophobicContact CD2-CD1 4.43Å; L282-F306 HydrophobicContact CD2-CE1 4.38Å; L282-F306 HydrophobicContact CD2-CG 4.5Å; L282-F306 HydrophobicContact CD2-CZ 4.4Å; L282-F306 HydrophobicContact CG-CE1 4.44Å; S286-F306 WeakPolarHBondContact OG-CE2 3.49Å; L294-F306 HydrophobicContact CD1-CE2 4.26Å; L294-F306 HydrophobicContact CD1-CZ 3.56Å; I299-F306 HydrophobicContact CB-CD2 4.4Å; I299-F306 HydrophobicContact CB-CE2 4.15Å; I299-F306 HydrophobicContact CB-CZ 4.4Å; I299-F306 HydrophobicContact CD1-CE1 4.41Å; I299-F306 HydrophobicContact CD1-CZ 4.26Å; I299-F306 HydrophobicContact CG1-CE1 4.27Å; I299-F306 HydrophobicContact CG1-CE2 3.88Å; I299-F306 HydrophobicContact CG1-CZ 3.73Å; I299-F306 HydrophobicContact CG2-CB 4.43Å; I299-F306 HydrophobicContact CG2-CD1 3.97Å; I299-F306 HydrophobicContact CG2-CD2 3.71Å; I299-F306 HydrophobicContact CG2-CE1 4.14Å; I299-F306 HydrophobicContact CG2-CE2 3.88Å; I299-F306 HydrophobicContact CG2-CG 3.75Å; I299-F306 HydrophobicContact CG2-CZ 4.12Å; W303-F306 PolarHBondContact O-N 3.09Å; W303-F306 VanDerWaalsContact O-N 3.17Å; F306-G308 VanDerWaalsContact C-N 3.3Å; F306-G308 PolarHBondContact O-N 3.45Å; F306-S309 WeakPolarHBondContact O-CB 3.17Å; F306-S309 PolarHBondContact O-N 3.11Å; F306-S309 VanDerWaalsContact O-N 3.12Å; F306-S309 PolarHBondContact O-OG 3.46Å; F306-A311 HydrophobicContact CD1-CB 4.46Å; F306-T312 WeakPolarHBondContact O-CG2 3.49Å; F306-T312 PolarHBondContact O-OG1 3.44Å; F306-T312 VanDerWaalsContact O-OG1 3.1Å
307	V	84.3	Confident	85.3	Confident	6 Å²	6	32 Å²	32	4%	0.036	16%	0.163	C	C	.	.	H	α-helix	trans	-60.1	-41.2	-179.4	162.8	0	0	0	0	112	F66 L78 W303 S309 T312 Y314 G315 L318	F66-V307 HydrophobicContact CB-CG1 4.17Å; F66-V307 HydrophobicContact CD1-CG1 3.41Å; F66-V307 VanDerWaalsContact CD1-CG1 3.41Å; F66-V307 HydrophobicContact CD2-CG1 3.48Å; F66-V307 VanDerWaalsContact CD2-CG1 3.48Å; F66-V307 HydrophobicContact CD2-CG2 4.39Å; F66-V307 HydrophobicContact CE1-CB 4.47Å; F66-V307 HydrophobicContact CE1-CG1 3.52Å; F66-V307 HydrophobicContact CE2-CB 4.21Å; F66-V307 HydrophobicContact CE2-CG1 3.47Å; F66-V307 VanDerWaalsContact CE2-CG1 3.47Å; F66-V307 HydrophobicContact CE2-CG2 3.67Å; F66-V307 HydrophobicContact CG-CG1 3.38Å; F66-V307 HydrophobicContact CZ-CB 4.12Å; F66-V307 HydrophobicContact CZ-CG1 3.46Å; F66-V307 VanDerWaalsContact CZ-CG1 3.46Å; F66-V307 HydrophobicContact CZ-CG2 3.73Å; L78-V307 HydrophobicContact CD2-CG2 4.49Å; W303-V307 HydrophobicContact CE3-CB 4.32Å; W303-V307 HydrophobicContact CE3-CG2 3.71Å; W303-V307 HydrophobicContact CZ3-CG2 4.26Å; W303-V307 WeakPolarHBondContact O-CB 3.46Å; W303-V307 VanDerWaalsContact O-CG2 3.25Å; W303-V307 WeakPolarHBondContact O-CG2 3.26Å; W303-V307 PolarHBondContact O-N 3.44Å; V307-S309 VanDerWaalsContact C-N 3.27Å; V307-S309 PolarHBondContact O-N 3.03Å; V307-T312 PolarHBondContact O-OG1 3.19Å; V307-Y314 CarbonylContact O-C 3.21Å; V307-Y314 VanDerWaalsContact O-C 3.28Å; V307-G315 WeakPolarHBondContact O-CA 3.26Å; V307-G315 PolarHBondContact O-N 3.13Å; V307-L318 HydrophobicContact CB-CD1 3.97Å; V307-L318 HydrophobicContact CG1-CD1 3.68Å; V307-L318 HydrophobicContact CG2-CD1 3.5Å; V307-L318 VanDerWaalsContact CG2-CD1 3.5Å
308	G	78.1	Confident	84.4	Confident	30 Å²	30	26.8 Å²	26.8	31%	0.309	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	7.4	178.6	0	0	0	0	0	114.3	N304 F306 Y314	N304-G308 PolarHBondContact O-N 2.79Å; F306-G308 VanDerWaalsContact C-N 3.3Å; F306-G308 PolarHBondContact O-N 3.45Å; G308-Y314 WeakPolarHBondContact O-CD1 3.26Å
309	S	82.1	Confident	83.4	Confident	2 Å²	2	28.6 Å²	28.6	1%	0.014	15%	0.15	C	C	.	.	S	Bend	trans	-96.8	172	-174.5	76.3	0	0	0	0	112.8	E278 M305 F306 V307 A311 T312 Y314	E278-S309 VanDerWaalsContact OE1-CB 3.3Å; E278-S309 WeakPolarHBondContact OE1-CB 3.32Å; M305-S309 WeakPolarHBondContact O-CB 3.4Å; M305-S309 PolarHBondContact O-N 2.9Å; F306-S309 WeakPolarHBondContact O-CB 3.17Å; F306-S309 PolarHBondContact O-N 3.11Å; F306-S309 VanDerWaalsContact O-N 3.12Å; F306-S309 PolarHBondContact O-OG 3.46Å; V307-S309 VanDerWaalsContact C-N 3.27Å; V307-S309 PolarHBondContact O-N 3.03Å; S309-A311 PolarHBondContact O-N 3.26Å; S309-A311 WeakPolarHBondContact OG-CB 3.46Å; S309-A311 PolarHBondContact OG-N 3Å; S309-A311 VanDerWaalsContact OG-N 3.15Å; S309-T312 PolarHBondContact O-N 2.84Å; S309-T312 PolarHBondContact O-OG1 2.77Å; S309-Y314 WeakPolarHBondContact O-CA 3.41Å; S309-Y314 PolarHBondContact O-N 2.78Å
310	Q	81.8	Confident	82.1	Confident	34 Å²	34	30.4 Å²	30.4	16%	0.159	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-63.5	-20.4	172.2	-59.4	-179.1	4.3	0	0	112.9	I102 E278 T312 N313 Y314	I102-Q310 HydrophobicContact CG2-CB 3.74Å; E278-Q310 HydrophobicContact CG-CB 4.12Å; E278-Q310 HydrophobicContact CG-CG 4.18Å; Q310-T312 PolarHBondContact O-N 3.02Å; Q310-N313 PolarHBondContact O-N 3.5Å; Q310-Y314 HydrophobicContact CG-CE1 4.31Å; Q310-Y314 HydrophobicContact CG-CE2 4.03Å; Q310-Y314 VanDerWaalsContact CG-OH 3.31Å; Q310-Y314 WeakPolarHBondContact CG-OH 3.12Å; Q310-Y314 PolarHBondContact NE2-OH 2.75Å
311	A	84.9	Confident	80.4	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.008	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-66.6	-18	-179	0	0	0	0	0	113.6	L98 W101 I102 L282 F306 S309	L98-A311 HydrophobicContact CD1-CB 4.1Å; W101-A311 PolarHBondContact NE1-O 2.77Å; I102-A311 HydrophobicContact CG1-CB 4.01Å; L282-A311 HydrophobicContact CD1-CB 4.11Å; F306-A311 HydrophobicContact CD1-CB 4.46Å; S309-A311 PolarHBondContact O-N 3.26Å; S309-A311 WeakPolarHBondContact OG-CB 3.46Å; S309-A311 PolarHBondContact OG-N 3Å; S309-A311 VanDerWaalsContact OG-N 3.15Å
312	T	83.3	Confident	78.6	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.006	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-120.4	14.1	178.9	57.2	0	0	0	0	112.1	L78 I81 F306 V307 S309 Q310 Y314 G315 E316 D317 L318	L78-T312 HydrophobicContact CD1-CG2 4.04Å; I81-T312 HydrophobicContact CD1-CG2 4.21Å; F306-T312 WeakPolarHBondContact O-CG2 3.49Å; F306-T312 PolarHBondContact O-OG1 3.44Å; F306-T312 VanDerWaalsContact O-OG1 3.1Å; V307-T312 PolarHBondContact O-OG1 3.19Å; S309-T312 PolarHBondContact O-N 2.84Å; S309-T312 PolarHBondContact O-OG1 2.77Å; Q310-T312 PolarHBondContact O-N 3.02Å; T312-Y314 VanDerWaalsContact C-N 3.26Å; T312-Y314 PolarHBondContact O-N 3.3Å; T312-G315 PolarHBondContact O-N 3.21Å; T312-G315 VanDerWaalsContact O-N 3.11Å; T312-G315 PolarHBondContact OG1-N 3.43Å; T312-G315 VanDerWaalsContact OG1-N 3.11Å; T312-E316 PolarHBondContact O-N 2.98Å; T312-D317 WeakPolarHBondContact O-CB 3.21Å; T312-D317 PolarHBondContact O-N 3.12Å; T312-D317 VanDerWaalsContact O-N 3.09Å; T312-L318 HydrophobicContact CG2-CD1 4.39Å; T312-L318 HydrophobicContact CG2-CG 4.47Å
313	N	79.6	Confident	76.6	Confident	21 Å²	21	39 Å²	39	11%	0.112	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	50.8	-164.6	-164	39.7	0	0	0	111.5	V105 Y109 Q310 G315 E316	V105-N313 HydrophobicContact CG1-CB 3.8Å; Y109-N313 WeakPolarHBondContact CD2-ND2 3.35Å; Q310-N313 PolarHBondContact O-N 3.5Å; N313-G315 PolarHBondContact O-N 3.02Å; N313-G315 VanDerWaalsContact O-N 3.08Å; N313-E316 HydrophobicContact CB-CB 4.33Å; N313-E316 PolarHBondContact ND2-OE2 3.47Å; N313-E316 PolarHBondContact O-N 3.31Å; N313-E316 VanDerWaalsContact O-N 3.12Å
314	Y	77.6	Confident	74.6	Confident	77 Å²	77	42.9 Å²	42.9	30%	0.302	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	32.1	-179.6	-53.6	-90	0	0	0	113.3	H54 V307 G308 S309 Q310 T312	H54-Y314 AromaticContact CE1-CD1 3.65Å; H54-Y314 AromaticContact CE1-CD2 3.53Å; H54-Y314 AromaticContact CE1-CE1 3.89Å; H54-Y314 AromaticContact CE1-CE2 3.75Å; H54-Y314 AromaticContact CE1-CG 3.46Å; H54-Y314 VanDerWaalsContact CE1-CG 3.46Å; H54-Y314 AromaticContact CE1-CZ 3.92Å; H54-Y314 WeakPolarHBondContact NE2-CB 3.44Å; H54-Y314 AromaticContact NE2-CD1 3.67Å; H54-Y314 AromaticContact NE2-CD2 3.01Å; H54-Y314 WeakPolarHBondContact NE2-CD2 3.5Å; H54-Y314 AromaticContact NE2-CE2 3.68Å; H54-Y314 AromaticContact NE2-CG 2.99Å; V307-Y314 CarbonylContact O-C 3.21Å; V307-Y314 VanDerWaalsContact O-C 3.28Å; G308-Y314 WeakPolarHBondContact O-CD1 3.26Å; S309-Y314 WeakPolarHBondContact O-CA 3.41Å; S309-Y314 PolarHBondContact O-N 2.78Å; Q310-Y314 HydrophobicContact CG-CE1 4.31Å; Q310-Y314 HydrophobicContact CG-CE2 4.03Å; Q310-Y314 VanDerWaalsContact CG-OH 3.31Å; Q310-Y314 WeakPolarHBondContact CG-OH 3.12Å; Q310-Y314 PolarHBondContact NE2-OH 2.75Å; T312-Y314 VanDerWaalsContact C-N 3.26Å; T312-Y314 PolarHBondContact O-N 3.3Å
315	G	71.6	Confident	73	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.01	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.7	-5.6	175	0	0	0	0	0	115.1	V307 T312 N313 D317 L318	V307-G315 WeakPolarHBondContact O-CA 3.26Å; V307-G315 PolarHBondContact O-N 3.13Å; T312-G315 PolarHBondContact O-N 3.21Å; T312-G315 VanDerWaalsContact O-N 3.11Å; T312-G315 PolarHBondContact OG1-N 3.43Å; T312-G315 VanDerWaalsContact OG1-N 3.11Å; N313-G315 PolarHBondContact O-N 3.02Å; N313-G315 VanDerWaalsContact O-N 3.08Å; G315-D317 VanDerWaalsContact C-N 3.29Å; G315-D317 PolarHBondContact O-N 2.7Å; G315-L318 WeakPolarHBondContact O-CB 3.13Å; G315-L318 PolarHBondContact O-N 3.11Å
316	E	76.6	Confident	72.4	Confident	49 Å²	49	38.3 Å²	38.3	23%	0.229	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-60	-42.2	176.1	-171.2	179.9	174.4	0	0	110.8	K116 T312 N313 L318 T319	K116-E316 IonicContact NZ-OE1 2.69Å; K116-E316 PolarHBondContact NZ-OE1 2.88Å; T312-E316 PolarHBondContact O-N 2.98Å; N313-E316 HydrophobicContact CB-CB 4.33Å; N313-E316 PolarHBondContact ND2-OE2 3.47Å; N313-E316 PolarHBondContact O-N 3.31Å; N313-E316 VanDerWaalsContact O-N 3.12Å; E316-L318 PolarHBondContact O-N 3.16Å; E316-L318 VanDerWaalsContact O-N 3.13Å; E316-T319 PolarHBondContact O-N 3.38Å; E316-T319 PolarHBondContact O-OG1 2.9Å
317	D	80.2	Confident	71.6	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-64.9	-21	-177.9	-78.3	-16.5	0	0	0	113.1	I81 V105 R108 T312 G315 T319 R320 L325	I81-D317 HydrophobicContact CD1-CB 4.3Å; V105-D317 WeakPolarHBondContact CG1-OD2 3.11Å; R108-D317 IonicContact CZ-OD2 3.86Å; R108-D317 IonicContact NH2-OD1 2.83Å; R108-D317 IonicContact NH2-OD2 2.84Å; R108-D317 PolarHBondContact NH2-OD2 2.99Å; T312-D317 WeakPolarHBondContact O-CB 3.21Å; T312-D317 PolarHBondContact O-N 3.12Å; T312-D317 VanDerWaalsContact O-N 3.09Å; G315-D317 VanDerWaalsContact C-N 3.29Å; G315-D317 PolarHBondContact O-N 2.7Å; D317-T319 VanDerWaalsContact C-N 3.27Å; D317-T319 PolarHBondContact O-N 3.41Å; D317-R320 PolarHBondContact O-N 3.2Å; D317-R320 IonicContact OD1-CZ 3.53Å; D317-R320 IonicContact OD1-NE 2.96Å; D317-R320 IonicContact OD1-NH1 3.72Å; D317-R320 PolarHBondContact OD1-NH1 3.44Å; D317-L325 HydrophobicContact CB-CD2 3.68Å
318	L	78.6	Confident	70.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-73.7	-22.5	175.3	-62.7	160.3	0	0	0	111.4	F66 L69 R77 L78 I81 V307 T312 G315 E316 R320	F66-L318 HydrophobicContact CD2-CB 4.1Å; F66-L318 HydrophobicContact CD2-CD1 3.34Å; F66-L318 HydrophobicContact CD2-CG 4.34Å; F66-L318 HydrophobicContact CE2-CD1 3.53Å; F66-L318 HydrophobicContact CG-CD1 4.32Å; L69-L318 HydrophobicContact CD1-CB 4.08Å; R77-L318 HydrophobicContact CB-CD2 3.73Å; R77-L318 WeakPolarHBondContact CD-O 3.4Å; R77-L318 PolarHBondContact NH1-O 3.29Å; L78-L318 HydrophobicContact CB-CD2 4.13Å; I81-L318 HydrophobicContact CD1-CD2 3.65Å; I81-L318 HydrophobicContact CD1-CG 4.23Å; V307-L318 HydrophobicContact CB-CD1 3.97Å; V307-L318 HydrophobicContact CG1-CD1 3.68Å; V307-L318 HydrophobicContact CG2-CD1 3.5Å; V307-L318 VanDerWaalsContact CG2-CD1 3.5Å; T312-L318 HydrophobicContact CG2-CD1 4.39Å; T312-L318 HydrophobicContact CG2-CG 4.47Å; G315-L318 WeakPolarHBondContact O-CB 3.13Å; G315-L318 PolarHBondContact O-N 3.11Å; E316-L318 PolarHBondContact O-N 3.16Å; E316-L318 VanDerWaalsContact O-N 3.13Å; L318-R320 VanDerWaalsContact C-N 3.29Å
319	T	74.6	Confident	70.5	Confident	50 Å²	50	42.9 Å²	42.9	31%	0.307	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-85.7	-5.7	179.3	67.9	0	0	0	0	113.4	K64 E316 D317	K64-T319 HydrophobicContact CB-CG2 4.36Å; K64-T319 WeakPolarHBondContact O-CG2 3.19Å; E316-T319 PolarHBondContact O-N 3.38Å; E316-T319 PolarHBondContact O-OG1 2.9Å; D317-T319 VanDerWaalsContact C-N 3.27Å; D317-T319 PolarHBondContact O-N 3.41Å
320	R	67.1	Low	69.8	Low	37 Å²	37	45.5 Å²	45.5	14%	0.14	23%	0.225	C	C	.	.	S	Bend	trans	-85	157.5	-174.8	-64.8	-173.7	148.2	164.9	-17.2	114	E112 D317 L318 L325	E112-R320 IonicContact OE1-CZ 3.32Å; E112-R320 IonicContact OE1-NH1 2.66Å; E112-R320 IonicContact OE1-NH2 3.16Å; E112-R320 PolarHBondContact OE1-NH2 3.15Å; E112-R320 IonicContact OE2-CZ 3.49Å; E112-R320 IonicContact OE2-NH1 3.67Å; E112-R320 PolarHBondContact OE2-NH1 3.24Å; E112-R320 IonicContact OE2-NH2 3.9Å; E112-R320 PolarHBondContact OE2-NH2 3.39Å; D317-R320 PolarHBondContact O-N 3.2Å; D317-R320 IonicContact OD1-CZ 3.53Å; D317-R320 IonicContact OD1-NE 2.96Å; D317-R320 IonicContact OD1-NH1 3.72Å; D317-R320 PolarHBondContact OD1-NH1 3.44Å; L318-R320 VanDerWaalsContact C-N 3.29Å; R320-L325 HydrophobicContact CB-CD2 4.2Å; R320-L325 HydrophobicContact CB-CG 4.43Å
321	N	59.8	Low	69	Low	117 Å²	117	46.3 Å²	46.3	63%	0.626	23%	0.229	S	C	*	.			trans	-71.1	128.8	168.4	-72.8	-31.9	0	0	0	109.1	D323 E324	N321-D323 PolarHBondContact O-N 3.07Å; N321-E324 PolarHBondContact O-N 2.97Å
322	H	54.3	Low	67.8	Low	45 Å²	45	49.5 Å²	49.5	21%	0.208	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-60.8	-23.2	-169.9	-61.3	-63.9	0	0	0	114.4	K80 R84 E324 L325	K80-H322 VanDerWaalsContact CD-CD2 3.46Å; K80-H322 WeakPolarHBondContact CD-CD2 3.38Å; K80-H322 WeakPolarHBondContact CD-CE1 3.25Å; K80-H322 WeakPolarHBondContact CD-NE2 2.99Å; K80-H322 PolarHBondContact NZ-CD2 3.13Å; K80-H322 PolarHBondContact NZ-NE2 2.65Å; R84-H322 PolarHBondContact NH1-O 3.45Å; R84-H322 PolarHBondContact NH2-O 3.39Å; H322-E324 PolarHBondContact O-N 3.25Å; H322-L325 PolarHBondContact O-N 3.29Å
323	D	49.8	Very low	66.6	Low	159 Å²	159	53.2 Å²	53.2	85%	0.85	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-69.6	-12.7	179	-62	-24.1	0	0	0	113.3	N321	N321-D323 PolarHBondContact O-N 3.07Å
324	E	47.4	Very low	65.5	Low	123 Å²	123	55.9 Å²	55.9	58%	0.575	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-101.4	-1.6	-176	-61.4	170.9	-179.9	0	0	113.4	N321 H322	N321-E324 PolarHBondContact O-N 2.97Å; H322-E324 PolarHBondContact O-N 3.25Å
325	L	48.9	Very low	64.4	Low	12 Å²	12	54 Å²	54	6%	0.063	27%	0.274	C	S	.	.			trans	-89.3	0	-175.8	-70	173.7	0	0	0	116	I81 R84 R108 D317 R320 H322	I81-L325 HydrophobicContact CG1-CD1 4.13Å; R84-L325 PolarHBondContact NH1-O 3.16Å; R108-L325 VanDerWaalsContact NH1-C 3.25Å; R108-L325 PolarHBondContact NH1-OXT 3.46Å; D317-L325 HydrophobicContact CB-CD2 3.68Å; R320-L325 HydrophobicContact CB-CD2 4.2Å; R320-L325 HydrophobicContact CB-CG 4.43Å; H322-L325 PolarHBondContact O-N 3.29Å

Retrieved 325 of 325 residues in 522.5 ms (Link to these results)

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