A0A087Y9R0_POEFO Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A087Y9R0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 350 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	34.8	Very low	32.6	Very low	233 Å²	233	156.5 Å²	156.5	100%	1.148	85%	0.845	S	S	*	*				0	120.2	0	-75.1	162.6	80.1	0	0	106.7
2	N	28.3	Very low	32.9	Very low	167 Å²	167	155.6 Å²	155.6	89%	0.893	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-78.6	142.9	-150.5	-66.5	-26	0	0	0	114.1
3	F	27	Very low	33.4	Very low	206 Å²	206	152.1 Å²	152.1	90%	0.904	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-86.3	148.6	164.9	-88.5	-98.4	0	0	0	110.7
4	L	30.6	Very low	34.1	Very low	164 Å²	164	148.3 Å²	148.3	86%	0.859	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-50.6	172.8	170.7	-76.3	152.6	0	0	0	113.8
5	P	43.4	Very low	34.4	Very low	108 Å²	108	144.9 Å²	144.9	70%	0.701	83%	0.83	S	S	*	*			cis	-150.6	177.5	27.1	37.4	-12.7	0	0	0	118.9
6	S	32.1	Very low	35	Very low	120 Å²	120	142.9 Å²	142.9	84%	0.839	82%	0.821	S	S	*	*			trans	48.4	121.1	143.3	-57.1	0	0	0	0	123.8
7	G	31.9	Very low	34.9	Very low	69 Å²	69	140.8 Å²	140.8	71%	0.711	82%	0.816	S	S	*	*			trans	99.2	129.4	133.7	0	0	0	0	0	118.5
8	I	33.5	Very low	35.1	Very low	166 Å²	166	145.1 Å²	145.1	85%	0.851	82%	0.816	S	S	*	*			trans	147.5	115.6	132.2	-71.5	157.6	0	0	0	112.2
9	C	30.1	Very low	35	Very low	104 Å²	104	145.3 Å²	145.3	70%	0.703	82%	0.815	S	S	*	*			trans	34.6	111.5	151.1	-64.3	0	0	0	0	121.2	F11	C9-F11 PolarHBondContact O-N 3.24Å
10	F	31.2	Very low	35.1	Very low	191 Å²	191	143.9 Å²	143.9	84%	0.838	81%	0.809	S	S	*	*			trans	-68.9	115.1	154.3	-89.7	-90.1	0	0	0	110.8	L12	F10-L12 HydrophobicContact CD1-CD1 4.03Å; F10-L12 HydrophobicContact CE1-CD1 4.26Å
11	F	36.2	Very low	35.1	Very low	194 Å²	194	140.9 Å²	140.9	85%	0.851	80%	0.803	S	S	*	*			trans	-100.4	108.8	151.6	-81	-84.8	0	0	0	107.4	C9	C9-F11 PolarHBondContact O-N 3.24Å
12	L	35.3	Very low	35.3	Very low	145 Å²	145	139 Å²	139	76%	0.759	79%	0.789	S	S	*	*			trans	-121.4	113.3	162.4	-91.4	163.8	0	0	0	109.4	F10	F10-L12 HydrophobicContact CD1-CD1 4.03Å; F10-L12 HydrophobicContact CE1-CD1 4.26Å
13	S	39.4	Very low	35.8	Very low	110 Å²	110	136.9 Å²	136.9	77%	0.769	78%	0.781	S	S	*	*			trans	-39.7	129.2	173.9	12.8	0	0	0	0	114.9	A15	S13-A15 PolarHBondContact O-N 2.9Å
14	A	44	Very low	36.3	Very low	99 Å²	99	133.9 Å²	133.9	82%	0.818	78%	0.775	S	S	*	*			trans	-70.5	115.2	162.6	0	0	0	0	0	110.3
15	A	38.7	Very low	37	Very low	98 Å²	98	127.2 Å²	127.2	81%	0.81	74%	0.743	S	S	*	*			trans	-129.7	71.8	160.3	0	0	0	0	0	108	S13 C17	S13-A15 PolarHBondContact O-N 2.9Å; A15-C17 PolarHBondContact O-N 2.76Å
16	T	43	Very low	37.4	Very low	112 Å²	112	126.2 Å²	126.2	69%	0.687	74%	0.739	S	S	*	*			trans	-72.5	117	166.3	41.9	0	0	0	0	108.2	W18	T16-W18 VanDerWaalsContact O-CD1 3.3Å; T16-W18 PolarHBondContact O-N 2.93Å; T16-W18 VanDerWaalsContact O-N 3.09Å
17	C	33.8	Very low	38.3	Very low	108 Å²	108	123.7 Å²	123.7	73%	0.73	71%	0.711	S	S	*	*			trans	-64.1	105.2	173.9	-159.9	0	0	0	0	108.6	A15 L19	A15-C17 PolarHBondContact O-N 2.76Å; C17-L19 PolarHBondContact O-N 3.16Å
18	W	39.4	Very low	39	Very low	217 Å²	217	132.6 Å²	132.6	82%	0.822	72%	0.723	S	S	*	*			trans	-76.1	68.9	170	-75.6	73.8	0	0	0	109.6	T16 T20	T16-W18 VanDerWaalsContact O-CD1 3.3Å; T16-W18 PolarHBondContact O-N 2.93Å; T16-W18 VanDerWaalsContact O-N 3.09Å; W18-T20 VanDerWaalsContact C-N 3.33Å; W18-T20 HydrophobicContact CE3-CG2 4.27Å; W18-T20 PolarHBondContact O-N 3.4Å
19	L	33.1	Very low	39.5	Very low	150 Å²	150	132.8 Å²	132.8	79%	0.785	71%	0.714	S	S	*	*			trans	-80.3	90.2	155.8	-82.6	159.5	0	0	0	106.5	C17 A21	C17-L19 PolarHBondContact O-N 3.16Å; L19-A21 PolarHBondContact O-N 2.91Å
20	T	36	Very low	40.6	Very low	116 Å²	116	129.8 Å²	129.8	71%	0.712	69%	0.69	S	S	*	*			trans	-67.2	89	162.3	49.1	0	0	0	0	107.1	W18 K22	W18-T20 VanDerWaalsContact C-N 3.33Å; W18-T20 HydrophobicContact CE3-CG2 4.27Å; W18-T20 PolarHBondContact O-N 3.4Å; T20-K22 PolarHBondContact O-N 2.81Å
21	A	35.8	Very low	41.6	Very low	82 Å²	82	124.3 Å²	124.3	68%	0.678	69%	0.688	S	S	*	*			trans	-52.1	118.7	163.6	0	0	0	0	0	106.5	L19 V23	L19-A21 PolarHBondContact O-N 2.91Å; A21-V23 PolarHBondContact O-N 3.43Å
22	K	38.9	Very low	42.3	Very low	193 Å²	193	121 Å²	121	84%	0.839	68%	0.684	S	S	*	*			trans	-57.8	110.3	167.3	-77.4	-178.7	179.3	170.6	0	105.7	T20 D24	T20-K22 PolarHBondContact O-N 2.81Å; K22-D24 PolarHBondContact O-N 2.91Å
23	V	37.9	Very low	43.4	Very low	122 Å²	122	118.3 Å²	118.3	74%	0.739	67%	0.67	S	S	*	*			trans	-72.4	86.9	174.5	-162.9	0	0	0	0	105.9	A21 A25	A21-V23 PolarHBondContact O-N 3.43Å; V23-A25 PolarHBondContact O-N 2.9Å
24	D	38.5	Very low	44.9	Very low	144 Å²	144	115.4 Å²	115.4	77%	0.77	66%	0.657	S	S	*	*			trans	-58.6	120.7	161.8	-82.8	-30.4	0	0	0	106.2	K22 S26	K22-D24 PolarHBondContact O-N 2.91Å; D24-S26 PolarHBondContact O-N 2.94Å
25	A	45.1	Very low	46.2	Very low	24 Å²	24	113.2 Å²	113.2	20%	0.198	64%	0.636	C	S	.	*			trans	-53.8	136	-167.8	0	0	0	0	0	112.9	V23 W27 H92	V23-A25 PolarHBondContact O-N 2.9Å; A25-W27 PolarHBondContact O-N 2.8Å; A25-H92 HydrophobicContact CB-CB 4.44Å; A25-H92 WeakPolarHBondContact CB-CD2 3.22Å; A25-H92 VanDerWaalsContact CB-NE2 3.27Å; A25-H92 WeakPolarHBondContact CB-NE2 3.45Å
26	S	50.7	Low	47.9	Very low	86 Å²	86	114.4 Å²	114.4	60%	0.601	63%	0.625	S	S	*	*	S	Bend	trans	-65.2	36.9	-166.7	-34.6	0	0	0	0	116.2	D24 W28	D24-S26 PolarHBondContact O-N 2.94Å; S26-W28 VanDerWaalsContact C-N 3.33Å
27	W	51	Low	49.6	Very low	68 Å²	68	112.2 Å²	112.2	26%	0.258	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-80.1	-17.4	-179.9	-59.6	103.3	0	0	0	112.7	A25 Y29 M30 I42 H92	A25-W27 PolarHBondContact O-N 2.8Å; W27-Y29 VanDerWaalsContact C-N 3.32Å; W27-Y29 PolarHBondContact O-N 2.78Å; W27-M30 HydrophobicContact CB-CE 3.86Å; W27-M30 HydrophobicContact CD2-CE 4.28Å; W27-M30 HydrophobicContact CE3-CE 3.51Å; W27-M30 HydrophobicContact CE3-SD 3.56Å; W27-M30 VanDerWaalsContact CE3-SD 3.56Å; W27-M30 HydrophobicContact CG-CE 4.47Å; W27-M30 HydrophobicContact CZ3-CE 4.4Å; W27-M30 HydrophobicContact CZ3-SD 4.08Å; W27-M30 WeakPolarHBondContact O-CB 3.28Å; W27-M30 WeakPolarHBondContact O-CE 3.41Å; W27-M30 WeakPolarHBondContact O-CG 3.44Å; W27-I42 HydrophobicContact CH2-CD1 4.41Å; W27-I42 HydrophobicContact CH2-CG1 4.08Å; W27-I42 HydrophobicContact CH2-CG2 3.97Å; W27-I42 HydrophobicContact CZ3-CD1 4.28Å; W27-I42 HydrophobicContact CZ3-CG1 4.15Å; W27-H92 AromaticContact NE1-ND1 3.74Å
28	W	47.3	Very low	51.9	Low	255 Å²	255	108 Å²	108	97%	0.966	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-77.4	-14.5	177.5	-65.7	80.2	0	0	0	113.5	S26 M30	S26-W28 VanDerWaalsContact C-N 3.33Å; W28-M30 VanDerWaalsContact C-N 3.31Å; W28-M30 PolarHBondContact O-N 3.43Å
29	Y	44.5	Very low	54.1	Low	171 Å²	171	97.6 Å²	97.6	67%	0.671	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-87.7	11.2	177.1	-94.4	-85.7	0	0	0	114.1	W27 G31	W27-Y29 VanDerWaalsContact C-N 3.32Å; W27-Y29 PolarHBondContact O-N 2.78Å; Y29-G31 VanDerWaalsContact C-N 3.34Å; Y29-G31 PolarHBondContact O-N 3.43Å
30	M	53.1	Low	56.5	Low	40 Å²	40	93.6 Å²	93.6	20%	0.197	52%	0.521	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	3	-168.9	-74.1	-158.6	-70.7	0	0	116.4	W27 W28 M38 Q61	W27-M30 HydrophobicContact CB-CE 3.86Å; W27-M30 HydrophobicContact CD2-CE 4.28Å; W27-M30 HydrophobicContact CE3-CE 3.51Å; W27-M30 HydrophobicContact CE3-SD 3.56Å; W27-M30 VanDerWaalsContact CE3-SD 3.56Å; W27-M30 HydrophobicContact CG-CE 4.47Å; W27-M30 HydrophobicContact CZ3-CE 4.4Å; W27-M30 HydrophobicContact CZ3-SD 4.08Å; W27-M30 WeakPolarHBondContact O-CB 3.28Å; W27-M30 WeakPolarHBondContact O-CE 3.41Å; W27-M30 WeakPolarHBondContact O-CG 3.44Å; W28-M30 VanDerWaalsContact C-N 3.31Å; W28-M30 PolarHBondContact O-N 3.43Å; M30-M38 HydrophobicContact CG-CG 4.39Å; M30-M38 HydrophobicContact SD-CG 4.23Å; M30-Q61 PolarHBondContact O-NE2 2.01Å
31	G	51	Low	58.7	Low	77 Å²	77	93.9 Å²	93.9	79%	0.794	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-19.9	179.2	0	0	0	0	0	115.4	Y29	Y29-G31 VanDerWaalsContact C-N 3.34Å; Y29-G31 PolarHBondContact O-N 3.43Å
32	T	52.6	Low	60.8	Low	123 Å²	123	90.4 Å²	90.4	76%	0.755	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	-13.6	-165.9	57.7	0	0	0	0	115
33	L	57.9	Low	62.7	Low	90 Å²	90	84.1 Å²	84.1	47%	0.471	47%	0.467	S	S	.	.	S	Bend	trans	-93.1	139.7	178.4	-69.1	165.8	0	0	0	110.7	V37	L33-V37 HydrophobicContact CB-CB 4.49Å; L33-V37 HydrophobicContact CD2-CG1 4.31Å
34	G	70.9	Confident	64.7	Low	48 Å²	48	79.9 Å²	79.9	50%	0.495	45%	0.448	S	S	.	.			trans	-55.3	145.6	175.8	0	0	0	0	0	112.3	Q36 V37 M38	G34-Q36 PolarHBondContact O-N 3.27Å; G34-V37 PolarHBondContact O-N 3.45Å; G34-M38 PolarHBondContact O-N 3.45Å; G34-M38 VanDerWaalsContact O-N 3.14Å
35	S	71.9	Confident	67	Low	54 Å²	54	73.3 Å²	73.3	38%	0.378	41%	0.413	S	S	.	.	H	α-helix	trans	-51.2	-34.6	-176.3	54.4	0	0	0	0	113.9	C39	S35-C39 WeakPolarHBondContact O-CB 3.33Å; S35-C39 PolarHBondContact O-N 3.09Å; S35-C39 PolarHBondContact O-SG 2.04Å
36	Q	72.9	Confident	69.1	Low	122 Å²	122	73.9 Å²	73.9	57%	0.57	41%	0.413	S	S	*	.	H	α-helix	trans	-60.2	-50	173.6	-102.9	174.3	-28.2	0	0	112.7	G34 M38 C39 D40 R54	G34-Q36 PolarHBondContact O-N 3.27Å; Q36-M38 VanDerWaalsContact C-N 3.33Å; Q36-M38 PolarHBondContact O-N 3.34Å; Q36-C39 PolarHBondContact O-N 3.29Å; Q36-D40 WeakPolarHBondContact O-CB 3.43Å; Q36-D40 PolarHBondContact O-N 3.25Å; Q36-D40 VanDerWaalsContact O-N 3.09Å; Q36-R54 HydrophobicContact CG-CG 4.34Å
37	V	78.9	Confident	71	Confident	67 Å²	67	76 Å²	76	41%	0.406	42%	0.418	S	S	.	.	H	α-helix	trans	-66.2	-39.3	-178.3	-178.7	0	0	0	0	110.3	L33 G34 N41	L33-V37 HydrophobicContact CB-CB 4.49Å; L33-V37 HydrophobicContact CD2-CG1 4.31Å; G34-V37 PolarHBondContact O-N 3.45Å; V37-N41 WeakPolarHBondContact CG1-ND2 3.48Å; V37-N41 PolarHBondContact O-N 2.88Å; V37-N41 PolarHBondContact O-ND2 2Å
38	M	83.2	Confident	73	Confident	18 Å²	18	77.9 Å²	77.9	9%	0.089	43%	0.428	C	S	.	.	H	α-helix	trans	-60.2	-52.9	175.1	176.5	-91.5	-69.7	0	0	111.3	M30 G34 Q36 D40 N41 I42 P57	M30-M38 HydrophobicContact CG-CG 4.39Å; M30-M38 HydrophobicContact SD-CG 4.23Å; G34-M38 PolarHBondContact O-N 3.45Å; G34-M38 VanDerWaalsContact O-N 3.14Å; Q36-M38 VanDerWaalsContact C-N 3.33Å; Q36-M38 PolarHBondContact O-N 3.34Å; M38-D40 VanDerWaalsContact C-N 3.29Å; M38-D40 PolarHBondContact O-N 2.04Å; M38-N41 PolarHBondContact O-N 2.85Å; M38-I42 WeakPolarHBondContact O-CG1 3.31Å; M38-I42 PolarHBondContact O-N 2.95Å; M38-I42 HydrophobicContact SD-CD1 3.91Å; M38-P57 HydrophobicContact CE-CB 4.02Å
39	C	84.6	Confident	75.1	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-66	-28.8	-175.9	-68.4	0	0	0	0	114.2	S35 Q36 C53 R54	S35-C39 WeakPolarHBondContact O-CB 3.33Å; S35-C39 PolarHBondContact O-N 3.09Å; S35-C39 PolarHBondContact O-SG 2.04Å; Q36-C39 PolarHBondContact O-N 3.29Å; C39-C53 WeakPolarHBondContact CA-SG 3.03Å; C39-C53 HydrophobicContact CB-CB 3.71Å; C39-C53 WeakPolarHBondContact CB-SG 3.35Å; C39-C53 WeakPolarHBondContact SG-CB 3.07Å; C39-C53 PolarHBondContact SG-O 3.02Å; C39-C53 VanDerWaalsContact SG-O 3.41Å; C39-C53 CovalentContact SG-SG 2.03Å; C39-C53 PolarHBondContact SG-SG 2.85Å; C39-R54 HydrophobicContact CB-CG 3.93Å; C39-R54 PolarHBondContact SG-N 3.07Å; C39-R54 VanDerWaalsContact SG-N 3.43Å
40	D	83.6	Confident	77.4	Confident	65 Å²	65	60.6 Å²	60.6	35%	0.348	36%	0.361	S	S	.	.	H	α-helix	trans	-78.8	-30	-178.4	-70.3	-10.3	0	0	0	112.3	Q36 M38 R54	Q36-D40 WeakPolarHBondContact O-CB 3.43Å; Q36-D40 PolarHBondContact O-N 3.25Å; Q36-D40 VanDerWaalsContact O-N 3.09Å; M38-D40 VanDerWaalsContact C-N 3.29Å; M38-D40 PolarHBondContact O-N 2.04Å; D40-R54 IonicContact OD1-CZ 3.43Å; D40-R54 IonicContact OD1-NE 2.63Å; D40-R54 PolarHBondContact OD1-NE 3.47Å; D40-R54 IonicContact OD1-NH2 2.68Å; D40-R54 PolarHBondContact OD1-NH2 3.25Å; D40-R54 IonicContact OD2-CZ 3.5Å; D40-R54 IonicContact OD2-NH2 3.96Å; D40-R54 PolarHBondContact OD2-NH2 2.03Å
41	N	81.6	Confident	79.3	Confident	123 Å²	123	62.8 Å²	62.8	66%	0.658	37%	0.371	S	S	*	.	H	α-helix	trans	-85.3	-5.6	179.7	-73.4	-54.6	0	0	0	114.3	V37 M38 P43	V37-N41 WeakPolarHBondContact CG1-ND2 3.48Å; V37-N41 PolarHBondContact O-N 2.88Å; V37-N41 PolarHBondContact O-ND2 2Å; M38-N41 PolarHBondContact O-N 2.85Å; N41-P43 VanDerWaalsContact O-CD 3.28Å; N41-P43 WeakPolarHBondContact O-CD 2.9Å
42	I	80.9	Confident	81.2	Confident	9 Å²	9	59.5 Å²	59.5	5%	0.046	34%	0.336	C	S	.	.	S	Bend	trans	-71.9	116.7	174.2	-60.4	171.4	0	0	0	109	W27 M38 L45	W27-I42 HydrophobicContact CH2-CD1 4.41Å; W27-I42 HydrophobicContact CH2-CG1 4.08Å; W27-I42 HydrophobicContact CH2-CG2 3.97Å; W27-I42 HydrophobicContact CZ3-CD1 4.28Å; W27-I42 HydrophobicContact CZ3-CG1 4.15Å; M38-I42 WeakPolarHBondContact O-CG1 3.31Å; M38-I42 PolarHBondContact O-N 2.95Å; M38-I42 HydrophobicContact SD-CD1 3.91Å; I42-L45 HydrophobicContact CB-CD1 3.74Å; I42-L45 HydrophobicContact CB-CG 3.97Å; I42-L45 HydrophobicContact CD1-CD1 4.01Å; I42-L45 HydrophobicContact CG1-CD1 4.45Å; I42-L45 HydrophobicContact CG2-CD1 3.83Å; I42-L45 HydrophobicContact CG2-CD2 4.26Å; I42-L45 HydrophobicContact CG2-CG 3.66Å
43	P	78.8	Confident	83.1	Confident	61 Å²	61	53.7 Å²	53.7	40%	0.396	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	147.2	-178.1	32.3	-36.6	0	0	0	111	N41 L45 N93	N41-P43 VanDerWaalsContact O-CD 3.28Å; N41-P43 WeakPolarHBondContact O-CD 2.9Å; P43-L45 VanDerWaalsContact C-N 3.3Å; P43-L45 PolarHBondContact O-N 2.86Å; P43-N93 VanDerWaalsContact CB-OD1 3.29Å; P43-N93 WeakPolarHBondContact CB-OD1 2.96Å; P43-N93 WeakPolarHBondContact CG-OD1 3.43Å
44	G	79.6	Confident	84.7	Confident	33 Å²	33	54.5 Å²	54.5	34%	0.34	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-9	176.5	0	0	0	0	0	116.6
45	L	86.1	Confident	85.7	Confident	6 Å²	6	57.2 Å²	57.2	3%	0.031	30%	0.296	C	S	.	.			trans	-68.2	139.8	175	-65.8	-169.3	0	0	0	112.2	I42 P43 Q49 R50 F95 F169	I42-L45 HydrophobicContact CB-CD1 3.74Å; I42-L45 HydrophobicContact CB-CG 3.97Å; I42-L45 HydrophobicContact CD1-CD1 4.01Å; I42-L45 HydrophobicContact CG1-CD1 4.45Å; I42-L45 HydrophobicContact CG2-CD1 3.83Å; I42-L45 HydrophobicContact CG2-CD2 4.26Å; I42-L45 HydrophobicContact CG2-CG 3.66Å; P43-L45 VanDerWaalsContact C-N 3.3Å; P43-L45 PolarHBondContact O-N 2.86Å; L45-Q49 HydrophobicContact CB-CB 4.13Å; L45-Q49 HydrophobicContact CD1-CB 4.43Å; L45-Q49 HydrophobicContact CD2-CB 3.95Å; L45-Q49 HydrophobicContact CG-CB 4.38Å; L45-R50 HydrophobicContact CB-CG 3.99Å; L45-R50 HydrophobicContact CD1-CG 4.47Å; L45-R50 PolarHBondContact O-NH1 3.36Å; L45-R50 PolarHBondContact O-NH2 2.99Å; L45-F95 HydrophobicContact CD2-CB 3.7Å; L45-F95 HydrophobicContact CD2-CD2 3.9Å; L45-F95 HydrophobicContact CD2-CG 3.9Å; L45-F169 HydrophobicContact CD2-CZ 3.97Å
46	V	89.7	Confident	86.7	Confident	35 Å²	35	57.9 Å²	57.9	21%	0.212	29%	0.293	C	S	.	.			trans	-86.8	162.8	168.8	-58.5	0	0	0	0	111.4	K48 Q49 R50 A172 K173	V46-K48 HydrophobicContact CG2-CB 4.44Å; V46-K48 PolarHBondContact O-N 3.45Å; V46-K48 VanDerWaalsContact O-N 3.11Å; V46-Q49 HydrophobicContact CG2-CB 4.25Å; V46-Q49 HydrophobicContact CG2-CG 3.8Å; V46-Q49 WeakPolarHBondContact O-CA 3.18Å; V46-Q49 WeakPolarHBondContact O-CB 3.31Å; V46-Q49 PolarHBondContact O-N 3.29Å; V46-R50 PolarHBondContact O-N 2.85Å; V46-A172 HydrophobicContact CG2-CB 4.28Å; V46-K173 HydrophobicContact CG1-CB 3.91Å; V46-K173 HydrophobicContact CG1-CD 4.16Å; V46-K173 HydrophobicContact CG1-CG 3.84Å; V46-K173 HydrophobicContact CG2-CB 4.29Å
47	N	91.3	Very high	87.6	Confident	130 Å²	130	53.8 Å²	53.8	70%	0.695	28%	0.277	S	S	*	.	H	α-helix	trans	-52.1	-39.6	-177.6	-66.7	-6.8	0	0	0	113.4	Q49 R50 Q51	N47-Q49 PolarHBondContact O-N 2.94Å; N47-R50 PolarHBondContact O-N 3.43Å; N47-Q51 PolarHBondContact O-N 3Å
48	K	91.9	Very high	88.1	Confident	108 Å²	108	55.9 Å²	55.9	47%	0.47	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-39	176.8	-173.6	62.7	-176.5	174.7	0	112.5	V46 Q51 L52 A172	V46-K48 HydrophobicContact CG2-CB 4.44Å; V46-K48 PolarHBondContact O-N 3.45Å; V46-K48 VanDerWaalsContact O-N 3.11Å; K48-Q51 VanDerWaalsContact NZ-OE1 3.09Å; K48-Q51 PolarHBondContact O-N 3.21Å; K48-L52 WeakPolarHBondContact O-CG 2.98Å; K48-L52 PolarHBondContact O-N 2.84Å; K48-A172 HydrophobicContact CB-CB 4.33Å; K48-A172 HydrophobicContact CG-CB 4.26Å
49	Q	92.5	Very high	88.6	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.009	28%	0.278	C	S	.	.	H	α-helix	trans	-69.9	-39.4	176	-68.4	171	-41.4	0	0	111.5	L45 V46 N47 Q51 L52 C53 F169 A172	L45-Q49 HydrophobicContact CB-CB 4.13Å; L45-Q49 HydrophobicContact CD1-CB 4.43Å; L45-Q49 HydrophobicContact CD2-CB 3.95Å; L45-Q49 HydrophobicContact CG-CB 4.38Å; V46-Q49 HydrophobicContact CG2-CB 4.25Å; V46-Q49 HydrophobicContact CG2-CG 3.8Å; V46-Q49 WeakPolarHBondContact O-CA 3.18Å; V46-Q49 WeakPolarHBondContact O-CB 3.31Å; V46-Q49 PolarHBondContact O-N 3.29Å; N47-Q49 PolarHBondContact O-N 2.94Å; Q49-Q51 VanDerWaalsContact C-N 3.33Å; Q49-Q51 PolarHBondContact O-N 3Å; Q49-L52 PolarHBondContact O-N 2.6Å; Q49-C53 VanDerWaalsContact O-CB 3.3Å; Q49-C53 WeakPolarHBondContact O-CB 3.03Å; Q49-C53 PolarHBondContact O-N 3.11Å; Q49-F169 HydrophobicContact CB-CD2 4.26Å; Q49-F169 HydrophobicContact CB-CE2 3.72Å; Q49-F169 HydrophobicContact CB-CZ 4.2Å; Q49-F169 HydrophobicContact CG-CD2 4.2Å; Q49-F169 HydrophobicContact CG-CE2 4.02Å; Q49-F169 HydrophobicContact CG-CZ 4.37Å; Q49-F169 WeakPolarHBondContact CG-O 3.2Å; Q49-F169 PolarHBondContact NE2-O 3.34Å; Q49-A172 HydrophobicContact CG-CB 3.67Å
50	R	92.2	Very high	88.9	Confident	61 Å²	61	55.8 Å²	55.8	23%	0.23	28%	0.281	C	S	.	.	H	α-helix	trans	-60.6	-43	173	-69.4	-167.9	179.1	86.1	10.5	111.7	L45 V46 N47 C53 R54	L45-R50 HydrophobicContact CB-CG 3.99Å; L45-R50 HydrophobicContact CD1-CG 4.47Å; L45-R50 PolarHBondContact O-NH1 3.36Å; L45-R50 PolarHBondContact O-NH2 2.99Å; V46-R50 PolarHBondContact O-N 2.85Å; N47-R50 PolarHBondContact O-N 3.43Å; R50-C53 WeakPolarHBondContact O-CB 3.45Å; R50-C53 PolarHBondContact O-N 3.47Å; R50-R54 WeakPolarHBondContact O-CG 3.34Å; R50-R54 PolarHBondContact O-N 3.29Å
51	Q	92.9	Very high	89.2	Confident	86 Å²	86	56.4 Å²	56.4	40%	0.402	28%	0.282	S	S	.	.	H	α-helix	trans	-58.4	-50	174.7	-174.6	-173.9	28.2	0	0	111.4	N47 K48 Q49 C53 R54 Q55	N47-Q51 PolarHBondContact O-N 3Å; K48-Q51 VanDerWaalsContact NZ-OE1 3.09Å; K48-Q51 PolarHBondContact O-N 3.21Å; Q49-Q51 VanDerWaalsContact C-N 3.33Å; Q49-Q51 PolarHBondContact O-N 3Å; Q51-C53 VanDerWaalsContact C-N 3.31Å; Q51-C53 PolarHBondContact O-N 3.31Å; Q51-R54 PolarHBondContact O-N 3.06Å; Q51-Q55 WeakPolarHBondContact O-CG 3.01Å; Q51-Q55 PolarHBondContact O-N 2.94Å
52	L	92.3	Very high	89.8	Confident	9 Å²	9	51.6 Å²	51.6	5%	0.047	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-39.3	177.8	-72.3	170.3	0	0	0	112	K48 Q49 Q55 H56 I168 F169	K48-L52 WeakPolarHBondContact O-CG 2.98Å; K48-L52 PolarHBondContact O-N 2.84Å; Q49-L52 PolarHBondContact O-N 2.6Å; L52-Q55 PolarHBondContact O-N 2.95Å; L52-H56 PolarHBondContact O-N 2.85Å; L52-I168 HydrophobicContact CD1-CG1 4.36Å; L52-I168 HydrophobicContact CD2-CD1 4.13Å; L52-F169 HydrophobicContact CB-CD2 4.04Å; L52-F169 HydrophobicContact CD1-CB 4.27Å; L52-F169 HydrophobicContact CD1-CD2 4.07Å
53	C	92.2	Very high	90.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.2	-45.8	176.1	179.6	0	0	0	0	111.6	C39 Q49 R50 Q51 Q55 H56 P57 M60	C39-C53 WeakPolarHBondContact CA-SG 3.03Å; C39-C53 HydrophobicContact CB-CB 3.71Å; C39-C53 WeakPolarHBondContact CB-SG 3.35Å; C39-C53 WeakPolarHBondContact SG-CB 3.07Å; C39-C53 PolarHBondContact SG-O 3.02Å; C39-C53 VanDerWaalsContact SG-O 3.41Å; C39-C53 CovalentContact SG-SG 2.03Å; C39-C53 PolarHBondContact SG-SG 2.85Å; Q49-C53 VanDerWaalsContact O-CB 3.3Å; Q49-C53 WeakPolarHBondContact O-CB 3.03Å; Q49-C53 PolarHBondContact O-N 3.11Å; R50-C53 WeakPolarHBondContact O-CB 3.45Å; R50-C53 PolarHBondContact O-N 3.47Å; Q51-C53 VanDerWaalsContact C-N 3.31Å; Q51-C53 PolarHBondContact O-N 3.31Å; C53-Q55 VanDerWaalsContact C-N 3.31Å; C53-Q55 PolarHBondContact O-N 3.49Å; C53-H56 CarbonylContact O-C 3.59Å; C53-H56 VanDerWaalsContact O-C 3.22Å; C53-H56 PolarHBondContact O-N 3.42Å; C53-P57 WeakPolarHBondContact O-CA 3.12Å; C53-P57 VanDerWaalsContact O-N 3.09Å; C53-M60 HydrophobicContact CB-CG 3.82Å
54	R	91.7	Very high	90.7	Very high	107 Å²	107	49.2 Å²	49.2	40%	0.404	25%	0.247	S	C	.	.	H	α-helix	trans	-65.9	-33.9	177.8	-67.3	174.2	-169.3	177.2	-2.7	112.4	Q36 C39 D40 R50 Q51	Q36-R54 HydrophobicContact CG-CG 4.34Å; C39-R54 HydrophobicContact CB-CG 3.93Å; C39-R54 PolarHBondContact SG-N 3.07Å; C39-R54 VanDerWaalsContact SG-N 3.43Å; D40-R54 IonicContact OD1-CZ 3.43Å; D40-R54 IonicContact OD1-NE 2.63Å; D40-R54 PolarHBondContact OD1-NE 3.47Å; D40-R54 IonicContact OD1-NH2 2.68Å; D40-R54 PolarHBondContact OD1-NH2 3.25Å; D40-R54 IonicContact OD2-CZ 3.5Å; D40-R54 IonicContact OD2-NH2 3.96Å; D40-R54 PolarHBondContact OD2-NH2 2.03Å; R50-R54 WeakPolarHBondContact O-CG 3.34Å; R50-R54 PolarHBondContact O-N 3.29Å; Q51-R54 PolarHBondContact O-N 3.06Å
55	Q	91.6	Very high	91.2	Very high	106 Å²	106	51.4 Å²	51.4	50%	0.495	26%	0.262	S	S	.	.	H	α-helix	trans	-72.6	-32.7	175.7	-72.5	173.8	-12.5	0	0	112.5	Q51 L52 C53	Q51-Q55 WeakPolarHBondContact O-CG 3.01Å; Q51-Q55 PolarHBondContact O-N 2.94Å; L52-Q55 PolarHBondContact O-N 2.95Å; C53-Q55 VanDerWaalsContact C-N 3.31Å; C53-Q55 PolarHBondContact O-N 3.49Å
56	H	92.2	Very high	91.3	Very high	67 Å²	67	51.5 Å²	51.5	31%	0.31	27%	0.265	S	S	.	.			trans	-131.7	62.7	-175.2	-55.5	-74.1	0	0	0	112.3	L52 C53 K58 V59 M60 F165	L52-H56 PolarHBondContact O-N 2.85Å; C53-H56 CarbonylContact O-C 3.59Å; C53-H56 VanDerWaalsContact O-C 3.22Å; C53-H56 PolarHBondContact O-N 3.42Å; H56-K58 PolarHBondContact O-N 2.8Å; H56-V59 HydrophobicContact CB-CB 3.92Å; H56-V59 HydrophobicContact CB-CG2 3.9Å; H56-V59 WeakPolarHBondContact O-CB 3.07Å; H56-V59 PolarHBondContact O-N 2.81Å; H56-M60 PolarHBondContact O-N 3.4Å; H56-F165 HydrophobicContact CB-CE2 4.48Å
57	P	91.1	Very high	91.3	Very high	36 Å²	36	50.6 Å²	50.6	23%	0.234	26%	0.258	C	S	.	.	H	α-helix	trans	-66.3	-37.6	-173.3	24.7	-33.7	0	0	0	113.1	M38 C53 V59 M60 Q61	M38-P57 HydrophobicContact CE-CB 4.02Å; C53-P57 WeakPolarHBondContact O-CA 3.12Å; C53-P57 VanDerWaalsContact O-N 3.09Å; P57-V59 VanDerWaalsContact C-N 3.33Å; P57-V59 PolarHBondContact O-N 2.82Å; P57-M60 PolarHBondContact O-N 2.85Å; P57-Q61 WeakPolarHBondContact O-CG 3.39Å; P57-Q61 PolarHBondContact O-N 3.21Å
58	K	91.4	Very high	91.1	Very high	112 Å²	112	52.5 Å²	52.5	49%	0.487	26%	0.261	S	S	.	.	H	α-helix	trans	-62.6	-38.6	175.3	-68.2	-169.6	179.4	-174.9	0	112.2	H56 M60 Q61 A62 L130 D131	H56-K58 PolarHBondContact O-N 2.8Å; K58-M60 VanDerWaalsContact C-N 3.29Å; K58-M60 PolarHBondContact O-N 3.47Å; K58-Q61 PolarHBondContact O-N 3.49Å; K58-A62 PolarHBondContact O-N 3.17Å; K58-L130 HydrophobicContact CB-CD2 3.82Å; K58-D131 IonicContact NZ-OD2 2.73Å; K58-D131 PolarHBondContact NZ-OD2 3.38Å
59	V	93.1	Very high	91.1	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-62.1	-41.1	175.3	175.1	0	0	0	0	110.6	H56 P57 A62 I63 L121 L130 F165	H56-V59 HydrophobicContact CB-CB 3.92Å; H56-V59 HydrophobicContact CB-CG2 3.9Å; H56-V59 WeakPolarHBondContact O-CB 3.07Å; H56-V59 PolarHBondContact O-N 2.81Å; P57-V59 VanDerWaalsContact C-N 3.33Å; P57-V59 PolarHBondContact O-N 2.82Å; V59-A62 PolarHBondContact O-N 2.67Å; V59-I63 HydrophobicContact CG1-CD1 3.91Å; V59-I63 WeakPolarHBondContact O-CB 3.29Å; V59-I63 WeakPolarHBondContact O-CG1 3.46Å; V59-I63 PolarHBondContact O-N 2.93Å; V59-L121 HydrophobicContact CG1-CD1 3.97Å; V59-L121 HydrophobicContact CG1-CD2 4.44Å; V59-L121 HydrophobicContact CG2-CD1 4.46Å; V59-L130 HydrophobicContact CG2-CD1 4.24Å; V59-L130 HydrophobicContact CG2-CD2 4.34Å; V59-F165 HydrophobicContact CB-CZ 4.38Å; V59-F165 HydrophobicContact CG1-CD1 4.24Å; V59-F165 HydrophobicContact CG1-CE1 3.64Å; V59-F165 HydrophobicContact CG1-CE2 3.92Å; V59-F165 HydrophobicContact CG1-CZ 3.45Å; V59-F165 VanDerWaalsContact CG1-CZ 3.45Å
60	M	91.4	Very high	91	Very high	10 Å²	10	51 Å²	51	5%	0.049	26%	0.255	C	S	.	.	H	α-helix	trans	-69	-36.7	178.1	-70	-55.1	-51.7	0	0	113.1	C53 H56 P57 K58 I63 G64 F169	C53-M60 HydrophobicContact CB-CG 3.82Å; H56-M60 PolarHBondContact O-N 3.4Å; P57-M60 PolarHBondContact O-N 2.85Å; K58-M60 VanDerWaalsContact C-N 3.29Å; K58-M60 PolarHBondContact O-N 3.47Å; M60-I63 HydrophobicContact CE-CG2 4.37Å; M60-I63 PolarHBondContact O-N 3.26Å; M60-I63 HydrophobicContact SD-CD1 4.03Å; M60-G64 PolarHBondContact O-N 3.36Å; M60-F169 HydrophobicContact CE-CE1 3.95Å; M60-F169 HydrophobicContact CE-CE2 4.02Å; M60-F169 HydrophobicContact CE-CZ 3.38Å; M60-F169 HydrophobicContact SD-CD2 4.22Å; M60-F169 HydrophobicContact SD-CE1 4.07Å; M60-F169 HydrophobicContact SD-CE2 3.59Å; M60-F169 VanDerWaalsContact SD-CE2 3.59Å; M60-F169 HydrophobicContact SD-CZ 3.51Å; M60-F169 VanDerWaalsContact SD-CZ 3.51Å
61	Q	89.4	Confident	90.9	Very high	79 Å²	79	49.2 Å²	49.2	37%	0.369	25%	0.25	S	C	.	.	H	α-helix	trans	-62.2	-45.7	171.7	-72.4	172.5	-17.4	0	0	111.4	M30 P57 K58 I63 G64 A65	M30-Q61 PolarHBondContact O-NE2 2.01Å; P57-Q61 WeakPolarHBondContact O-CG 3.39Å; P57-Q61 PolarHBondContact O-N 3.21Å; K58-Q61 PolarHBondContact O-N 3.49Å; Q61-I63 PolarHBondContact O-N 3.09Å; Q61-G64 PolarHBondContact O-N 3.2Å; Q61-A65 PolarHBondContact O-N 3.42Å
62	A	93	Very high	91	Very high	21 Å²	21	48.3 Å²	48.3	17%	0.174	25%	0.253	C	S	.	.	H	α-helix	trans	-59.9	-45.6	175.6	0	0	0	0	0	111.7	K58 V59 G64 A65 G66 T120 A124 L130	K58-A62 PolarHBondContact O-N 3.17Å; V59-A62 PolarHBondContact O-N 2.67Å; A62-G64 VanDerWaalsContact C-N 3.33Å; A62-G64 PolarHBondContact O-N 3.34Å; A62-A65 PolarHBondContact O-N 3.13Å; A62-G66 PolarHBondContact O-N 3.44Å; A62-T120 WeakPolarHBondContact O-CG2 3.27Å; A62-A124 HydrophobicContact CB-CB 4.26Å; A62-L130 HydrophobicContact CB-CD1 4.44Å; A62-L130 HydrophobicContact CB-CD2 4.31Å
63	I	92.1	Very high	91.2	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-57.5	-44.9	174.1	-77.6	167.5	0	0	0	111.4	V59 M60 Q61 G66 M67 W70 F95 V117 F165	V59-I63 HydrophobicContact CG1-CD1 3.91Å; V59-I63 WeakPolarHBondContact O-CB 3.29Å; V59-I63 WeakPolarHBondContact O-CG1 3.46Å; V59-I63 PolarHBondContact O-N 2.93Å; M60-I63 HydrophobicContact CE-CG2 4.37Å; M60-I63 PolarHBondContact O-N 3.26Å; M60-I63 HydrophobicContact SD-CD1 4.03Å; Q61-I63 PolarHBondContact O-N 3.09Å; I63-G66 PolarHBondContact O-N 2.82Å; I63-M67 WeakPolarHBondContact O-CB 3.38Å; I63-M67 PolarHBondContact O-N 3.46Å; I63-W70 HydrophobicContact CG2-CH2 3.98Å; I63-W70 HydrophobicContact CG2-CZ2 4.43Å; I63-F95 HydrophobicContact CG2-CZ 4.18Å; I63-V117 HydrophobicContact CD1-CG1 3.98Å; I63-V117 HydrophobicContact CG1-CG1 4.35Å; I63-F165 HydrophobicContact CD1-CD1 4.38Å; I63-F165 HydrophobicContact CD1-CE1 3.65Å; I63-F165 HydrophobicContact CD1-CZ 4.48Å
64	G	87.6	Confident	91.3	Very high	19 Å²	19	48.4 Å²	48.4	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-44.2	177.1	0	0	0	0	0	112.7	M60 Q61 A62 M67	M60-G64 PolarHBondContact O-N 3.36Å; Q61-G64 PolarHBondContact O-N 3.2Å; A62-G64 VanDerWaalsContact C-N 3.33Å; A62-G64 PolarHBondContact O-N 3.34Å; G64-M67 VanDerWaalsContact O-CB 3.26Å; G64-M67 WeakPolarHBondContact O-CB 3.39Å; G64-M67 PolarHBondContact O-N 2.93Å
65	A	88.8	Confident	91.5	Very high	78 Å²	78	46 Å²	46	65%	0.645	25%	0.246	S	C	*	.	H	α-helix	trans	-64.6	-43.4	177.6	0	0	0	0	0	112.3	Q61 A62 M67	Q61-A65 PolarHBondContact O-N 3.42Å; A62-A65 PolarHBondContact O-N 3.13Å; A65-M67 PolarHBondContact O-N 2.71Å
66	G	89.2	Confident	91.7	Very high	9 Å²	9	43.4 Å²	43.4	9%	0.093	23%	0.234	C	C	.	.	H	α-helix	trans	-73.3	-13.6	177.7	0	0	0	0	0	114.3	A62 I63 K68 E69	A62-G66 PolarHBondContact O-N 3.44Å; I63-G66 PolarHBondContact O-N 2.82Å; G66-K68 VanDerWaalsContact C-N 3.26Å; G66-K68 PolarHBondContact O-N 3.4Å; G66-E69 WeakPolarHBondContact O-CB 3.37Å; G66-E69 PolarHBondContact O-N 2.91Å; G66-E69 VanDerWaalsContact O-N 3.08Å
67	M	89.2	Confident	91.9	Very high	16 Å²	16	41.2 Å²	41.2	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-59.5	-36.8	-178.3	-173.6	-179.1	-70.3	0	0	113.2	I63 G64 A65 E69 W70 I71 L94 F95	I63-M67 WeakPolarHBondContact O-CB 3.38Å; I63-M67 PolarHBondContact O-N 3.46Å; G64-M67 VanDerWaalsContact O-CB 3.26Å; G64-M67 WeakPolarHBondContact O-CB 3.39Å; G64-M67 PolarHBondContact O-N 2.93Å; A65-M67 PolarHBondContact O-N 2.71Å; M67-E69 VanDerWaalsContact C-N 3.26Å; M67-E69 PolarHBondContact O-N 3.01Å; M67-W70 VanDerWaalsContact CA-CE2 3.42Å; M67-W70 HydrophobicContact CB-CZ2 3.95Å; M67-W70 HydrophobicContact CE-CZ2 4.44Å; M67-W70 HydrophobicContact CG-CZ2 4.06Å; M67-W70 PolarHBondContact O-N 3.47Å; M67-W70 PolarHBondContact O-NE1 3.05Å; M67-I71 HydrophobicContact CG-CD1 3.62Å; M67-I71 HydrophobicContact CG-CG1 4.13Å; M67-I71 WeakPolarHBondContact O-CB 3.22Å; M67-I71 VanDerWaalsContact O-CG1 3.3Å; M67-I71 WeakPolarHBondContact O-CG1 3.45Å; M67-I71 PolarHBondContact O-N 3.39Å; M67-I71 HydrophobicContact SD-CD1 4.15Å; M67-L94 HydrophobicContact CE-CD1 4.19Å; M67-L94 HydrophobicContact CG-CD1 3.87Å; M67-L94 HydrophobicContact SD-CD1 3.61Å; M67-F95 HydrophobicContact CE-CE2 3.74Å; M67-F95 HydrophobicContact CE-CZ 3.95Å
68	K	88.1	Confident	92.1	Very high	170 Å²	170	39.5 Å²	39.5	74%	0.739	21%	0.213	S	C	*	.	H	α-helix	trans	-60.2	-37.5	177.5	-174.2	178	177.9	-178.8	0	112	G66 S72	G66-K68 VanDerWaalsContact C-N 3.26Å; G66-K68 PolarHBondContact O-N 3.4Å; K68-S72 WeakPolarHBondContact O-CB 3.4Å; K68-S72 PolarHBondContact O-N 3.33Å
69	E	90.9	Very high	92.2	Very high	72 Å²	72	40.6 Å²	40.6	34%	0.336	21%	0.214	S	C	.	.	H	α-helix	trans	-65.3	-51	-178.7	-169.7	175.8	161.6	0	0	110.8	G66 M67 S72 E73 Y119 R123	G66-E69 WeakPolarHBondContact O-CB 3.37Å; G66-E69 PolarHBondContact O-N 2.91Å; G66-E69 VanDerWaalsContact O-N 3.08Å; M67-E69 VanDerWaalsContact C-N 3.26Å; M67-E69 PolarHBondContact O-N 3.01Å; E69-S72 PolarHBondContact O-N 3.27Å; E69-E73 PolarHBondContact O-N 2.73Å; E69-Y119 WeakPolarHBondContact OE1-CE1 3.09Å; E69-R123 IonicContact OE1-NH1 2.68Å; E69-R123 IonicContact OE2-CZ 3.35Å; E69-R123 IonicContact OE2-NH1 3.88Å; E69-R123 PolarHBondContact OE2-NH1 3.41Å
70	W	91.2	Very high	92.2	Very high	6 Å²	6	43.4 Å²	43.4	2%	0.023	23%	0.229	C	C	.	.	H	α-helix	trans	-75.7	-28	-178	63.8	55	0	0	0	114	I63 M67 E73 C74 G116 V117 T120 F225	I63-W70 HydrophobicContact CG2-CH2 3.98Å; I63-W70 HydrophobicContact CG2-CZ2 4.43Å; M67-W70 VanDerWaalsContact CA-CE2 3.42Å; M67-W70 HydrophobicContact CB-CZ2 3.95Å; M67-W70 HydrophobicContact CE-CZ2 4.44Å; M67-W70 HydrophobicContact CG-CZ2 4.06Å; M67-W70 PolarHBondContact O-N 3.47Å; M67-W70 PolarHBondContact O-NE1 3.05Å; W70-E73 WeakPolarHBondContact O-CB 3.47Å; W70-E73 PolarHBondContact O-N 2.67Å; W70-C74 PolarHBondContact O-N 3.24Å; W70-G116 WeakPolarHBondContact CZ3-O 3.05Å; W70-V117 HydrophobicContact CH2-CB 4.23Å; W70-V117 HydrophobicContact CH2-CG2 3.53Å; W70-V117 HydrophobicContact CZ2-CG2 4.12Å; W70-V117 VanDerWaalsContact CZ3-CA 3.47Å; W70-V117 HydrophobicContact CZ3-CB 4.49Å; W70-V117 HydrophobicContact CZ3-CG2 4.23Å; W70-T120 WeakPolarHBondContact CZ3-OG1 3.42Å; W70-F225 HydrophobicContact CB-CD1 4.3Å; W70-F225 HydrophobicContact CB-CE1 3.44Å; W70-F225 VanDerWaalsContact CB-CE1 3.44Å; W70-F225 HydrophobicContact CB-CZ 3.76Å
71	I	90.6	Very high	92.3	Very high	24 Å²	24	45.3 Å²	45.3	12%	0.123	24%	0.238	C	C	.	.	H	α-helix	trans	-68.3	-44.2	172.6	-69.8	174.5	0	0	0	108.9	M67 E73 C74 Q75 A89 L94	M67-I71 HydrophobicContact CG-CD1 3.62Å; M67-I71 HydrophobicContact CG-CG1 4.13Å; M67-I71 WeakPolarHBondContact O-CB 3.22Å; M67-I71 VanDerWaalsContact O-CG1 3.3Å; M67-I71 WeakPolarHBondContact O-CG1 3.45Å; M67-I71 PolarHBondContact O-N 3.39Å; M67-I71 HydrophobicContact SD-CD1 4.15Å; I71-E73 PolarHBondContact O-N 3.37Å; I71-C74 WeakPolarHBondContact O-CB 3.11Å; I71-C74 PolarHBondContact O-N 3.08Å; I71-C74 VanDerWaalsContact O-N 3.07Å; I71-Q75 HydrophobicContact CG2-CG 4.42Å; I71-Q75 WeakPolarHBondContact O-CG 3.05Å; I71-Q75 PolarHBondContact O-N 3.28Å; I71-A89 HydrophobicContact CG2-CB 4.23Å; I71-L94 HydrophobicContact CD1-CD1 3.61Å; I71-L94 HydrophobicContact CG1-CD1 3.94Å
72	S	93.6	Very high	92.5	Very high	66 Å²	66	46 Å²	46	46%	0.462	24%	0.237	S	C	.	.	H	α-helix	trans	-58.5	-36	174.8	-174.8	0	0	0	0	111	K68 E69 Q75 H76	K68-S72 WeakPolarHBondContact O-CB 3.4Å; K68-S72 PolarHBondContact O-N 3.33Å; E69-S72 PolarHBondContact O-N 3.27Å; S72-Q75 PolarHBondContact O-N 2.9Å; S72-H76 VanDerWaalsContact O-CB 3.26Å; S72-H76 WeakPolarHBondContact O-CB 3.45Å; S72-H76 PolarHBondContact O-N 2.95Å
73	E	97	Very high	92.4	Very high	9 Å²	9	45.6 Å²	45.6	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-66.5	-41.8	173.9	-173.4	55	-154	0	0	112.7	E69 W70 I71 Q75 H76 Q77 I112 F225 R226	E69-E73 PolarHBondContact O-N 2.73Å; W70-E73 WeakPolarHBondContact O-CB 3.47Å; W70-E73 PolarHBondContact O-N 2.67Å; I71-E73 PolarHBondContact O-N 3.37Å; E73-Q75 PolarHBondContact O-N 2.92Å; E73-H76 WeakPolarHBondContact O-CB 3.3Å; E73-H76 PolarHBondContact O-N 3.04Å; E73-Q77 VanDerWaalsContact O-CG 3.3Å; E73-Q77 WeakPolarHBondContact O-CG 2.96Å; E73-Q77 PolarHBondContact O-N 3.24Å; E73-Q77 PolarHBondContact OE1-NE2 3.18Å; E73-I112 HydrophobicContact CG-CD1 4.35Å; E73-F225 HydrophobicContact CB-CD1 3.8Å; E73-F225 HydrophobicContact CB-CE1 3.86Å; E73-F225 HydrophobicContact CG-CD1 3.78Å; E73-F225 HydrophobicContact CG-CE1 3.93Å; E73-R226 VanDerWaalsContact CD-NE 3.27Å; E73-R226 VanDerWaalsContact OE1-CD 3.28Å; E73-R226 WeakPolarHBondContact OE1-CD 3.37Å; E73-R226 IonicContact OE1-NE 2.76Å; E73-R226 PolarHBondContact OE1-NE 3.43Å; E73-R226 IonicContact OE2-CZ 3.82Å; E73-R226 VanDerWaalsContact OE2-CZ 3.32Å; E73-R226 IonicContact OE2-NE 3.57Å; E73-R226 PolarHBondContact OE2-NE 3.33Å; E73-R226 IonicContact OE2-NH2 3.75Å; E73-R226 PolarHBondContact OE2-NH2 3.19Å
74	C	95.3	Very high	92.4	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.014	24%	0.241	C	C	.	.	H	α-helix	trans	-59.6	-47.2	173.2	-173.1	0	0	0	0	111.9	W70 I71 H76 Q77 F78 C85 F108 I112	W70-C74 PolarHBondContact O-N 3.24Å; I71-C74 WeakPolarHBondContact O-CB 3.11Å; I71-C74 PolarHBondContact O-N 3.08Å; I71-C74 VanDerWaalsContact O-N 3.07Å; C74-H76 VanDerWaalsContact C-N 3.3Å; C74-H76 PolarHBondContact O-N 2.86Å; C74-Q77 PolarHBondContact O-N 2.76Å; C74-F78 WeakPolarHBondContact O-CD2 3.26Å; C74-F78 PolarHBondContact O-N 3.28Å; C74-F78 VanDerWaalsContact O-N 3.15Å; C74-C85 HydrophobicContact CB-CB 3.95Å; C74-C85 WeakPolarHBondContact CB-SG 3.38Å; C74-C85 WeakPolarHBondContact SG-CB 3.41Å; C74-C85 CovalentContact SG-SG 2.03Å; C74-C85 PolarHBondContact SG-SG 3.21Å; C74-F108 HydrophobicContact CB-CE1 4.24Å; C74-I112 HydrophobicContact CB-CG2 4.32Å
75	Q	94.1	Very high	92.4	Very high	57 Å²	57	46.6 Å²	46.6	27%	0.266	23%	0.232	S	C	.	.	H	α-helix	trans	-61.6	-40	175.5	-68.9	170.7	-19.2	0	0	111.4	I71 S72 E73 F78 R79 C85 N86	I71-Q75 HydrophobicContact CG2-CG 4.42Å; I71-Q75 WeakPolarHBondContact O-CG 3.05Å; I71-Q75 PolarHBondContact O-N 3.28Å; S72-Q75 PolarHBondContact O-N 2.9Å; E73-Q75 PolarHBondContact O-N 2.92Å; Q75-F78 CarbonylContact O-C 3.58Å; Q75-F78 PolarHBondContact O-N 2.61Å; Q75-R79 WeakPolarHBondContact O-CA 3.03Å; Q75-R79 WeakPolarHBondContact O-CB 3.27Å; Q75-R79 PolarHBondContact O-N 3.26Å; Q75-C85 HydrophobicContact CG-CB 4.24Å; Q75-N86 PolarHBondContact NE2-OD1 2.85Å; Q75-N86 VanDerWaalsContact NE2-OD1 3.17Å
76	H	96.3	Very high	91.9	Very high	51 Å²	51	46 Å²	46	24%	0.236	22%	0.218	C	C	.	.	H	α-helix	trans	-59.3	-49.3	175.8	177.7	81.6	0	0	0	111.1	S72 E73 C74 F78 R79 R226	S72-H76 VanDerWaalsContact O-CB 3.26Å; S72-H76 WeakPolarHBondContact O-CB 3.45Å; S72-H76 PolarHBondContact O-N 2.95Å; E73-H76 WeakPolarHBondContact O-CB 3.3Å; E73-H76 PolarHBondContact O-N 3.04Å; C74-H76 VanDerWaalsContact C-N 3.3Å; C74-H76 PolarHBondContact O-N 2.86Å; H76-F78 PolarHBondContact O-N 2.72Å; H76-R79 PolarHBondContact CE1-NH1 3.23Å; H76-R79 PolarHBondContact NE2-NH1 3.12Å; H76-R79 VanDerWaalsContact NE2-NH1 3.18Å; H76-R79 WeakPolarHBondContact O-CD 3.12Å; H76-R79 VanDerWaalsContact O-CG 3.3Å; H76-R79 WeakPolarHBondContact O-CG 3.35Å; H76-R79 PolarHBondContact O-NH1 2.81Å; H76-R226 PolarHBondContact CD2-NE 2.9Å; H76-R226 VanDerWaalsContact CD2-NE 3.27Å; H76-R226 PolarHBondContact CE1-NH1 3.45Å; H76-R226 VanDerWaalsContact NE2-CZ 3.33Å; H76-R226 PolarHBondContact NE2-NH1 3.07Å
77	Q	97.2	Very high	90.7	Very high	21 Å²	21	46.3 Å²	46.3	10%	0.098	22%	0.218	C	C	.	.	H	α-helix	trans	-63.8	-27.6	-178.9	-67.8	-61.4	-27.4	0	0	112.9	E73 C74 F108 D230 R233	E73-Q77 VanDerWaalsContact O-CG 3.3Å; E73-Q77 WeakPolarHBondContact O-CG 2.96Å; E73-Q77 PolarHBondContact O-N 3.24Å; E73-Q77 PolarHBondContact OE1-NE2 3.18Å; C74-Q77 PolarHBondContact O-N 2.76Å; Q77-F108 HydrophobicContact CB-CZ 4.19Å; Q77-F108 HydrophobicContact CG-CZ 4.19Å; Q77-D230 PolarHBondContact NE2-OD1 3.5Å; Q77-R233 HydrophobicContact CG-CB 4.38Å; Q77-R233 VanDerWaalsContact OE1-CG 3.3Å
78	F	95.1	Very high	89.2	Confident	1 Å²	1	45.7 Å²	45.7	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-113.8	9.2	-175.8	-74.2	-96.6	0	0	0	114.8	C74 Q75 H76 N80 H81 W83 F108 Y236	C74-F78 WeakPolarHBondContact O-CD2 3.26Å; C74-F78 PolarHBondContact O-N 3.28Å; C74-F78 VanDerWaalsContact O-N 3.15Å; Q75-F78 CarbonylContact O-C 3.58Å; Q75-F78 PolarHBondContact O-N 2.61Å; H76-F78 PolarHBondContact O-N 2.72Å; F78-N80 PolarHBondContact O-N 2.8Å; F78-H81 HydrophobicContact CB-CB 4.47Å; F78-H81 HydrophobicContact CD1-CB 4.05Å; F78-H81 PolarHBondContact O-N 3.29Å; F78-W83 HydrophobicContact CB-CE3 4.25Å; F78-W83 HydrophobicContact CB-CZ3 4.29Å; F78-W83 WeakPolarHBondContact CB-O 3.21Å; F78-W83 AromaticContact CD1-CE3 3.36Å; F78-W83 HydrophobicContact CD1-CE3 3.36Å; F78-W83 AromaticContact CD1-CZ3 3.58Å; F78-W83 HydrophobicContact CD1-CZ3 3.58Å; F78-W83 HydrophobicContact CD2-CE3 4.34Å; F78-W83 AromaticContact CD2-CZ3 3.73Å; F78-W83 HydrophobicContact CD2-CZ3 3.73Å; F78-W83 AromaticContact CE1-CE3 3.58Å; F78-W83 HydrophobicContact CE1-CE3 3.58Å; F78-W83 AromaticContact CE1-CZ3 3.61Å; F78-W83 HydrophobicContact CE1-CZ3 3.61Å; F78-W83 AromaticContact CE2-CZ3 3.82Å; F78-W83 HydrophobicContact CE2-CZ3 3.82Å; F78-W83 AromaticContact CG-CE3 3.74Å; F78-W83 HydrophobicContact CG-CE3 3.74Å; F78-W83 AromaticContact CG-CZ3 3.6Å; F78-W83 HydrophobicContact CG-CZ3 3.6Å; F78-W83 HydrophobicContact CZ-CE3 4.2Å; F78-W83 AromaticContact CZ-CZ3 3.74Å; F78-W83 HydrophobicContact CZ-CZ3 3.74Å; F78-F108 HydrophobicContact CD2-CD1 4.38Å; F78-F108 HydrophobicContact CD2-CE1 4.16Å; F78-F108 AromaticContact CE2-CD1 3.5Å; F78-F108 HydrophobicContact CE2-CD1 3.5Å; F78-F108 VanDerWaalsContact CE2-CD1 3.5Å; F78-F108 HydrophobicContact CE2-CD2 4.16Å; F78-F108 AromaticContact CE2-CE1 3.57Å; F78-F108 HydrophobicContact CE2-CE1 3.57Å; F78-F108 HydrophobicContact CE2-CE2 4.19Å; F78-F108 AromaticContact CE2-CG 3.81Å; F78-F108 HydrophobicContact CE2-CG 3.81Å; F78-F108 AromaticContact CE2-CZ 3.92Å; F78-F108 HydrophobicContact CE2-CZ 3.92Å; F78-F108 HydrophobicContact CZ-CB 4.45Å; F78-F108 HydrophobicContact CZ-CD1 4.16Å; F78-F108 HydrophobicContact CZ-CG 4.11Å; F78-Y236 HydrophobicContact CE1-CD1 4.4Å; F78-Y236 HydrophobicContact CE1-CD2 4.49Å; F78-Y236 AromaticContact CE1-CE1 3.9Å; F78-Y236 HydrophobicContact CE1-CE1 3.9Å; F78-Y236 AromaticContact CE1-CE2 3.95Å; F78-Y236 HydrophobicContact CE1-CE2 3.95Å; F78-Y236 AromaticContact CE1-CZ 3.64Å; F78-Y236 HydrophobicContact CZ-CD1 4.07Å; F78-Y236 AromaticContact CZ-CD2 3.89Å; F78-Y236 HydrophobicContact CZ-CD2 3.89Å; F78-Y236 HydrophobicContact CZ-CE1 4.02Å; F78-Y236 AromaticContact CZ-CE2 3.78Å; F78-Y236 HydrophobicContact CZ-CE2 3.78Å; F78-Y236 HydrophobicContact CZ-CG 4.02Å; F78-Y236 AromaticContact CZ-CZ 3.87Å
79	R	93.5	Very high	87.4	Confident	134 Å²	134	39.2 Å²	39.2	51%	0.506	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-34.2	-177.1	65.5	-172.4	-175.3	-88.6	5.1	114.1	Q75 H76 R290	Q75-R79 WeakPolarHBondContact O-CA 3.03Å; Q75-R79 WeakPolarHBondContact O-CB 3.27Å; Q75-R79 PolarHBondContact O-N 3.26Å; H76-R79 PolarHBondContact CE1-NH1 3.23Å; H76-R79 PolarHBondContact NE2-NH1 3.12Å; H76-R79 VanDerWaalsContact NE2-NH1 3.18Å; H76-R79 WeakPolarHBondContact O-CD 3.12Å; H76-R79 VanDerWaalsContact O-CG 3.3Å; H76-R79 WeakPolarHBondContact O-CG 3.35Å; H76-R79 PolarHBondContact O-NH1 2.81Å; R79-R290 PolarHBondContact O-NH2 3.47Å
80	N	92.2	Very high	85.5	Confident	64 Å²	64	44.2 Å²	44.2	34%	0.342	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	9.5	-176.9	-73.9	2.1	0	0	0	113.3	F78 S299 D300 M305	F78-N80 PolarHBondContact O-N 2.8Å; N80-S299 CarbonylContact O-C 3.58Å; N80-S299 WeakPolarHBondContact O-CB 3.03Å; N80-S299 PolarHBondContact O-OG 2.88Å; N80-D300 HydrophobicContact CB-CB 3.88Å; N80-D300 PolarHBondContact O-N 3.47Å; N80-M305 WeakPolarHBondContact O-CE 3.39Å
81	H	93.9	Very high	83.7	Confident	51 Å²	51	48.7 Å²	48.7	24%	0.236	23%	0.233	C	C	.	.	S	Bend	trans	-107.6	154.5	179.6	-79.8	58.9	0	0	0	111.1	F78 W83 R233 R290 S299	F78-H81 HydrophobicContact CB-CB 4.47Å; F78-H81 HydrophobicContact CD1-CB 4.05Å; F78-H81 PolarHBondContact O-N 3.29Å; H81-W83 VanDerWaalsContact C-N 3.29Å; H81-W83 VanDerWaalsContact CB-O 3.28Å; H81-W83 WeakPolarHBondContact CB-O 2.97Å; H81-W83 CarbonylContact O-C 3.58Å; H81-W83 PolarHBondContact O-N 3.15Å; H81-R233 PolarHBondContact CE1-NH2 3.21Å; H81-R233 PolarHBondContact NE2-NH2 3.17Å; H81-R290 VanDerWaalsContact O-CZ 3.23Å; H81-R290 PolarHBondContact O-NH1 3.12Å; H81-R290 PolarHBondContact O-NH2 3.3Å; H81-S299 PolarHBondContact CE1-OG 3.35Å
82	R	93.5	Very high	81.9	Confident	93 Å²	93	50.6 Å²	50.6	35%	0.351	24%	0.241	S	C	.	.	S	Bend	trans	-56	-42	177.9	-61.7	-178.2	-173.2	157.8	1.4	112.3	C276 T287 R290 V304 M305 C307	R82-C276 VanDerWaalsContact CZ-SG 3.59Å; R82-C276 PolarHBondContact NH1-SG 3.18Å; R82-C276 VanDerWaalsContact NH1-SG 3.41Å; R82-T287 HydrophobicContact CB-CG2 3.83Å; R82-T287 HydrophobicContact CG-CG2 3.94Å; R82-R290 PolarHBondContact O-NH1 2.96Å; R82-V304 VanDerWaalsContact CZ-O 3.22Å; R82-V304 PolarHBondContact NE-O 2.94Å; R82-V304 PolarHBondContact NH2-O 3.17Å; R82-M305 HydrophobicContact CG-SD 4.4Å; R82-C307 PolarHBondContact NE-SG 3.27Å
83	W	91.9	Very high	80.3	Confident	13 Å²	13	50.2 Å²	50.2	5%	0.049	23%	0.234	C	C	.	.	S	Bend	trans	-89.3	121.2	162.6	-177.8	83.5	0	0	0	109.1	F78 H81 C85 E105 V109 Y275	F78-W83 HydrophobicContact CB-CE3 4.25Å; F78-W83 HydrophobicContact CB-CZ3 4.29Å; F78-W83 WeakPolarHBondContact CB-O 3.21Å; F78-W83 AromaticContact CD1-CE3 3.36Å; F78-W83 HydrophobicContact CD1-CE3 3.36Å; F78-W83 AromaticContact CD1-CZ3 3.58Å; F78-W83 HydrophobicContact CD1-CZ3 3.58Å; F78-W83 HydrophobicContact CD2-CE3 4.34Å; F78-W83 AromaticContact CD2-CZ3 3.73Å; F78-W83 HydrophobicContact CD2-CZ3 3.73Å; F78-W83 AromaticContact CE1-CE3 3.58Å; F78-W83 HydrophobicContact CE1-CE3 3.58Å; F78-W83 AromaticContact CE1-CZ3 3.61Å; F78-W83 HydrophobicContact CE1-CZ3 3.61Å; F78-W83 AromaticContact CE2-CZ3 3.82Å; F78-W83 HydrophobicContact CE2-CZ3 3.82Å; F78-W83 AromaticContact CG-CE3 3.74Å; F78-W83 HydrophobicContact CG-CE3 3.74Å; F78-W83 AromaticContact CG-CZ3 3.6Å; F78-W83 HydrophobicContact CG-CZ3 3.6Å; F78-W83 HydrophobicContact CZ-CE3 4.2Å; F78-W83 AromaticContact CZ-CZ3 3.74Å; F78-W83 HydrophobicContact CZ-CZ3 3.74Å; H81-W83 VanDerWaalsContact C-N 3.29Å; H81-W83 VanDerWaalsContact CB-O 3.28Å; H81-W83 WeakPolarHBondContact CB-O 2.97Å; H81-W83 CarbonylContact O-C 3.58Å; H81-W83 PolarHBondContact O-N 3.15Å; W83-C85 HydrophobicContact CH2-CB 3.62Å; W83-C85 VanDerWaalsContact CH2-SG 3.57Å; W83-C85 HydrophobicContact CZ2-CB 4Å; W83-C85 HydrophobicContact CZ3-CB 3.94Å; W83-E105 HydrophobicContact CB-CG 4.32Å; W83-E105 HydrophobicContact CD2-CB 3.92Å; W83-E105 HydrophobicContact CD2-CG 3.65Å; W83-E105 HydrophobicContact CE3-CB 3.93Å; W83-E105 HydrophobicContact CE3-CG 3.61Å; W83-E105 HydrophobicContact CG-CG 3.98Å; W83-E105 HydrophobicContact CH2-CB 4.12Å; W83-E105 HydrophobicContact CZ2-CB 4.11Å; W83-E105 HydrophobicContact CZ3-CB 4.03Å; W83-E105 HydrophobicContact CZ3-CG 4.16Å; W83-V109 HydrophobicContact CH2-CG2 3.55Å; W83-V109 HydrophobicContact CZ2-CG2 3.85Å; W83-Y275 HydrophobicContact CB-CD1 3.92Å; W83-Y275 HydrophobicContact CB-CD2 3.8Å; W83-Y275 HydrophobicContact CB-CE1 3.98Å; W83-Y275 HydrophobicContact CB-CE2 3.83Å; W83-Y275 HydrophobicContact CB-CG 3.83Å; W83-Y275 AromaticContact CD1-CD1 3.98Å; W83-Y275 AromaticContact CD1-CE1 3.48Å; W83-Y275 VanDerWaalsContact CD1-CE1 3.48Å; W83-Y275 AromaticContact CD1-CZ 3.82Å; W83-Y275 HydrophobicContact CG-CD1 4.33Å; W83-Y275 AromaticContact CG-CE1 3.98Å; W83-Y275 HydrophobicContact CG-CE1 3.98Å; W83-Y275 HydrophobicContact CG-CE2 4.33Å; W83-Y275 AromaticContact CG-CZ 3.97Å
84	N	90.4	Very high	78.5	Confident	40 Å²	40	50.7 Å²	50.7	21%	0.214	24%	0.237	C	C	.	.			trans	-116.7	17.7	-172.1	69.5	-10.5	0	0	0	113.8	N86	N84-N86 PolarHBondContact ND2-ND2 3.39Å; N84-N86 PolarHBondContact O-N 2.87Å; N84-N86 WeakPolarHBondContact OD1-CB 3.1Å; N84-N86 PolarHBondContact OD1-N 2.59Å
85	C	88.9	Confident	76.5	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.007	24%	0.241	C	C	.	.	S	Bend	trans	61.9	17	-179.2	-155.8	0	0	0	0	115.7	C74 Q75 W83	C74-C85 HydrophobicContact CB-CB 3.95Å; C74-C85 WeakPolarHBondContact CB-SG 3.38Å; C74-C85 WeakPolarHBondContact SG-CB 3.41Å; C74-C85 CovalentContact SG-SG 2.03Å; C74-C85 PolarHBondContact SG-SG 3.21Å; Q75-C85 HydrophobicContact CG-CB 4.24Å; W83-C85 HydrophobicContact CH2-CB 3.62Å; W83-C85 VanDerWaalsContact CH2-SG 3.57Å; W83-C85 HydrophobicContact CZ2-CB 4Å; W83-C85 HydrophobicContact CZ3-CB 3.94Å
86	N	78.1	Confident	74.7	Confident	66 Å²	66	49.3 Å²	49.3	35%	0.353	23%	0.232	S	C	.	.			trans	-78.7	-24	178.4	-80	-0.9	0	0	0	114.7	Q75 N84 T88 A89 R90	Q75-N86 PolarHBondContact NE2-OD1 2.85Å; Q75-N86 VanDerWaalsContact NE2-OD1 3.17Å; N84-N86 PolarHBondContact ND2-ND2 3.39Å; N84-N86 PolarHBondContact O-N 2.87Å; N84-N86 WeakPolarHBondContact OD1-CB 3.1Å; N84-N86 PolarHBondContact OD1-N 2.59Å; N86-T88 PolarHBondContact O-N 3.35Å; N86-A89 PolarHBondContact O-N 3.19Å; N86-A89 VanDerWaalsContact O-N 3.09Å; N86-R90 PolarHBondContact O-N 3.37Å
87	T	64.8	Low	72.8	Confident	15 Å²	15	51.7 Å²	51.7	9%	0.092	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-37.2	176.1	44	0	0	0	0	111.4	A89 R90 D91 G283 M285	T87-A89 PolarHBondContact O-N 3.09Å; T87-R90 PolarHBondContact O-N 3.46Å; T87-D91 PolarHBondContact O-N 3.25Å; T87-G283 WeakPolarHBondContact CG2-O 3.28Å; T87-M285 HydrophobicContact CG2-CG 3.59Å; T87-M285 HydrophobicContact CG2-SD 4.14Å
88	T	57.4	Low	70.9	Confident	4 Å²	4	51.8 Å²	51.8	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-29.5	174.7	-48.8	0	0	0	0	113.8	N86 L94 L98 V109	N86-T88 PolarHBondContact O-N 3.35Å; T88-L94 HydrophobicContact CG2-CD1 4.22Å; T88-L94 HydrophobicContact CG2-CD2 3.19Å; T88-L94 HydrophobicContact CG2-CG 3.77Å; T88-L98 HydrophobicContact CG2-CD1 4.48Å; T88-L98 HydrophobicContact CG2-CD2 3.99Å; T88-V109 HydrophobicContact CG2-CG1 4.34Å
89	A	50.7	Low	69.3	Low	33 Å²	33	52.5 Å²	52.5	27%	0.273	24%	0.244	S	C	.	.	H	α-helix	trans	-82.7	-23.7	-179.9	0	0	0	0	0	113.6	I71 N86 T87 H92	I71-A89 HydrophobicContact CG2-CB 4.23Å; N86-A89 PolarHBondContact O-N 3.19Å; N86-A89 VanDerWaalsContact O-N 3.09Å; T87-A89 PolarHBondContact O-N 3.09Å; A89-H92 PolarHBondContact O-CE1 2.88Å
90	R	49.9	Very low	67.9	Low	178 Å²	178	52.7 Å²	52.7	67%	0.672	25%	0.254	S	S	*	.	H	α-helix	trans	-90.2	-37.7	-177.8	-72.4	-172	176	-172.9	-0.2	113.5	N86 T87 H92	N86-R90 PolarHBondContact O-N 3.37Å; T87-R90 PolarHBondContact O-N 3.46Å; R90-H92 PolarHBondContact O-CD2 3.24Å; R90-H92 VanDerWaalsContact O-CD2 3.27Å
91	D	53.9	Low	67.2	Low	100 Å²	100	55.2 Å²	55.2	54%	0.535	26%	0.259	S	S	.	.	S	Bend	trans	-85.9	-8.6	-172.5	-72.8	-29.2	0	0	0	113.7	T87 N93	T87-D91 PolarHBondContact O-N 3.25Å; D91-N93 WeakPolarHBondContact O-CB 3.43Å; D91-N93 PolarHBondContact O-N 3.32Å; D91-N93 PolarHBondContact O-ND2 3.15Å
92	H	53.3	Low	66.9	Low	63 Å²	63	52.8 Å²	52.8	29%	0.292	25%	0.247	S	C	.	.			trans	48.2	4.6	179.8	-61.7	-72.9	0	0	0	116.2	A25 W27 A89 R90 L94	A25-H92 HydrophobicContact CB-CB 4.44Å; A25-H92 WeakPolarHBondContact CB-CD2 3.22Å; A25-H92 VanDerWaalsContact CB-NE2 3.27Å; A25-H92 WeakPolarHBondContact CB-NE2 3.45Å; W27-H92 AromaticContact NE1-ND1 3.74Å; A89-H92 PolarHBondContact O-CE1 2.88Å; R90-H92 PolarHBondContact O-CD2 3.24Å; R90-H92 VanDerWaalsContact O-CD2 3.27Å; H92-L94 VanDerWaalsContact C-N 3.27Å; H92-L94 PolarHBondContact O-N 3.41Å
93	N	58.6	Low	66.9	Low	59 Å²	59	48.4 Å²	48.4	32%	0.316	23%	0.231	S	C	.	.			trans	-93.9	44.4	-174.1	-74.5	-31.9	0	0	0	110.8	P43 D91 F95 G96 L98	P43-N93 VanDerWaalsContact CB-OD1 3.29Å; P43-N93 WeakPolarHBondContact CB-OD1 2.96Å; P43-N93 WeakPolarHBondContact CG-OD1 3.43Å; D91-N93 WeakPolarHBondContact O-CB 3.43Å; D91-N93 PolarHBondContact O-N 3.32Å; D91-N93 PolarHBondContact O-ND2 3.15Å; N93-F95 PolarHBondContact O-N 2.94Å; N93-G96 WeakPolarHBondContact O-CA 3.34Å; N93-G96 PolarHBondContact O-N 3.23Å; N93-L98 VanDerWaalsContact O-CD1 3.31Å; N93-L98 WeakPolarHBondContact O-CD1 3.33Å
94	L	59	Low	67	Low	19 Å²	19	51.9 Å²	51.9	10%	0.099	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-26.9	179.6	-92.5	172.8	0	0	0	113.8	M67 I71 T88 H92 L98 V109	M67-L94 HydrophobicContact CE-CD1 4.19Å; M67-L94 HydrophobicContact CG-CD1 3.87Å; M67-L94 HydrophobicContact SD-CD1 3.61Å; I71-L94 HydrophobicContact CD1-CD1 3.61Å; I71-L94 HydrophobicContact CG1-CD1 3.94Å; T88-L94 HydrophobicContact CG2-CD1 4.22Å; T88-L94 HydrophobicContact CG2-CD2 3.19Å; T88-L94 HydrophobicContact CG2-CG 3.77Å; H92-L94 VanDerWaalsContact C-N 3.27Å; H92-L94 PolarHBondContact O-N 3.41Å; L94-L98 HydrophobicContact CD2-CD1 4.34Å; L94-L98 HydrophobicContact CD2-CD2 4.3Å; L94-V109 HydrophobicContact CD2-CG1 4.18Å
95	F	54.4	Low	67.1	Low	22 Å²	22	50.3 Å²	50.3	10%	0.096	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-0.4	174.4	-52.8	-65.9	0	0	0	112.7	L45 I63 M67 N93 F169	L45-F95 HydrophobicContact CD2-CB 3.7Å; L45-F95 HydrophobicContact CD2-CD2 3.9Å; L45-F95 HydrophobicContact CD2-CG 3.9Å; I63-F95 HydrophobicContact CG2-CZ 4.18Å; M67-F95 HydrophobicContact CE-CE2 3.74Å; M67-F95 HydrophobicContact CE-CZ 3.95Å; N93-F95 PolarHBondContact O-N 2.94Å; F95-F169 AromaticContact CD1-CE1 3.99Å; F95-F169 HydrophobicContact CD1-CE1 3.99Å; F95-F169 HydrophobicContact CE1-CD1 4.44Å; F95-F169 AromaticContact CE1-CE1 3.73Å; F95-F169 HydrophobicContact CE1-CE1 3.73Å; F95-F169 HydrophobicContact CZ-CE1 4.05Å
96	G	56.7	Low	67.3	Low	7 Å²	7	50.3 Å²	50.3	7%	0.072	24%	0.236	C	C	.	.	S	Bend	trans	-85.7	176.9	171.8	0	0	0	0	0	113	N93 L98 K173	N93-G96 WeakPolarHBondContact O-CA 3.34Å; N93-G96 PolarHBondContact O-N 3.23Å; G96-L98 VanDerWaalsContact C-N 3.32Å; G96-L98 PolarHBondContact O-N 2.78Å; G96-K173 VanDerWaalsContact C-NZ 3.35Å
97	R	56.6	Low	68.1	Low	101 Å²	101	47.2 Å²	47.2	38%	0.381	22%	0.219	S	C	.	.			trans	-77.9	90.8	170.8	-86.6	178.7	177.7	-134.5	-13.1	105.9	L99 E177 D179	R97-L99 VanDerWaalsContact C-N 3.3Å; R97-L99 PolarHBondContact O-N 2.74Å; R97-E177 IonicContact CZ-OE1 3.32Å; R97-E177 IonicContact CZ-OE2 2.67Å; R97-E177 IonicContact NE-OE1 2.87Å; R97-E177 PolarHBondContact NE-OE1 3.12Å; R97-E177 IonicContact NE-OE2 3.59Å; R97-E177 IonicContact NH2-OE1 2.97Å; R97-E177 PolarHBondContact NH2-OE1 3Å; R97-E177 VanDerWaalsContact NH2-OE1 3.14Å; R97-E177 IonicContact NH2-OE2 2.76Å; R97-E177 PolarHBondContact NH2-OE2 2.76Å; R97-D179 IonicContact CZ-OD2 3Å; R97-D179 IonicContact NH1-OD2 2.89Å; R97-D179 PolarHBondContact NH1-OD2 3.31Å; R97-D179 IonicContact NH2-OD1 3.39Å; R97-D179 IonicContact NH2-OD2 3.88Å; R97-D179 PolarHBondContact NH2-OD2 3.27Å
98	L	56.8	Low	69.6	Low	24 Å²	24	46.5 Å²	46.5	13%	0.126	22%	0.215	C	C	.	.			trans	-63.8	-26.4	-161.3	-163.9	75.4	0	0	0	115.3	T88 N93 L94 G96 V109	T88-L98 HydrophobicContact CG2-CD1 4.48Å; T88-L98 HydrophobicContact CG2-CD2 3.99Å; N93-L98 VanDerWaalsContact O-CD1 3.31Å; N93-L98 WeakPolarHBondContact O-CD1 3.33Å; L94-L98 HydrophobicContact CD2-CD1 4.34Å; L94-L98 HydrophobicContact CD2-CD2 4.3Å; G96-L98 VanDerWaalsContact C-N 3.32Å; G96-L98 PolarHBondContact O-N 2.78Å; L98-V109 HydrophobicContact CD2-CB 4.18Å; L98-V109 HydrophobicContact CD2-CG1 3.37Å; L98-V109 HydrophobicContact CD2-CG2 4.44Å
99	L	60.7	Low	71.3	Confident	15 Å²	15	46.5 Å²	46.5	8%	0.079	22%	0.215	C	C	.	.			trans	-148.3	146.1	-179.8	-70.4	173.4	0	0	0	107.8	R97 R101 V106 R181	R97-L99 VanDerWaalsContact C-N 3.3Å; R97-L99 PolarHBondContact O-N 2.74Å; L99-R101 VanDerWaalsContact C-N 3.28Å; L99-R101 PolarHBondContact O-N 2.6Å; L99-V106 HydrophobicContact CB-CG2 3.57Å; L99-V106 HydrophobicContact CD1-CG2 3.43Å; L99-V106 VanDerWaalsContact CD1-CG2 3.43Å; L99-V106 HydrophobicContact CG-CG2 4.01Å; L99-R181 VanDerWaalsContact O-CZ 3.3Å; L99-R181 PolarHBondContact O-NH2 2.89Å
100	L	63.8	Low	73.4	Confident	139 Å²	139	45.9 Å²	45.9	73%	0.728	21%	0.205	S	C	*	.	S	Bend	trans	-69.6	-25.3	-176	-72.7	172.9	0	0	0	112.9	R181 Q281	L100-R181 PolarHBondContact O-NH1 3.16Å; L100-Q281 WeakPolarHBondContact CD1-O 3.4Å
101	R	78.1	Confident	75.7	Confident	116 Å²	116	37.4 Å²	37.4	44%	0.438	17%	0.173	S	C	.	.	S	Bend	trans	-101.4	147.3	-176.4	-67.6	-172.7	-177.6	-177.3	2.3	113.9	L99 S103 V106 R181 E270	L99-R101 VanDerWaalsContact C-N 3.28Å; L99-R101 PolarHBondContact O-N 2.6Å; R101-S103 PolarHBondContact O-N 2.97Å; R101-S103 VanDerWaalsContact O-N 3.12Å; R101-V106 WeakPolarHBondContact O-CG2 3.35Å; R101-R181 PolarHBondContact O-NH1 3.35Å; R101-R181 PolarHBondContact O-NH2 3.32Å; R101-E270 WeakPolarHBondContact CA-OE2 3.31Å; R101-E270 VanDerWaalsContact CB-OE2 3.31Å; R101-E270 WeakPolarHBondContact CB-OE2 3.44Å
102	G	88.3	Confident	77.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.149	C	C	.	.			trans	-83.4	54.5	176.3	0	0	0	0	0	112.2	Y268 L269 E270	G102-Y268 WeakPolarHBondContact O-CB 3.06Å; G102-L269 PolarHBondContact O-N 2.88Å; G102-E270 PolarHBondContact N-OE2 2.67Å; G102-E270 PolarHBondContact O-N 3.19Å
103	S	92.4	Very high	79.7	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.014	14%	0.14	C	C	.	.			trans	-82.4	170.7	-172.7	81.9	0	0	0	0	113.9	R101 E105 V106 A107 E270	R101-S103 PolarHBondContact O-N 2.97Å; R101-S103 VanDerWaalsContact O-N 3.12Å; S103-E105 VanDerWaalsContact C-N 3.26Å; S103-E105 VanDerWaalsContact CB-OE2 3.32Å; S103-E105 WeakPolarHBondContact CB-OE2 3.28Å; S103-E105 PolarHBondContact O-N 2.93Å; S103-E105 PolarHBondContact OG-N 3.29Å; S103-E105 PolarHBondContact OG-OE2 2.77Å; S103-V106 WeakPolarHBondContact O-CB 3.45Å; S103-V106 PolarHBondContact O-N 3.44Å; S103-A107 PolarHBondContact O-N 3.07Å; S103-E270 WeakPolarHBondContact CA-O 3.22Å
104	R	94.5	Very high	81.6	Confident	86 Å²	86	27.8 Å²	27.8	33%	0.325	13%	0.125	S	C	.	.	H	α-helix	trans	-57.8	-38.2	174.4	-73	-175.2	-74.5	179.9	-6.7	112.6	V106 A107 F108 Y236 A239 Y268	R104-V106 VanDerWaalsContact C-N 3.34Å; R104-A107 WeakPolarHBondContact O-CB 3.39Å; R104-A107 PolarHBondContact O-N 3.48Å; R104-F108 PolarHBondContact O-N 3.34Å; R104-F108 VanDerWaalsContact O-N 3.11Å; R104-Y236 VanDerWaalsContact C-CE2 3.48Å; R104-Y236 HydrophobicContact CB-CD2 4.08Å; R104-Y236 HydrophobicContact CB-CE2 3.56Å; R104-Y236 WeakPolarHBondContact O-CD2 3.48Å; R104-Y236 WeakPolarHBondContact O-CE2 3.31Å; R104-A239 HydrophobicContact CG-CB 4.3Å; R104-Y268 HydrophobicContact CG-CD1 3.28Å; R104-Y268 HydrophobicContact CG-CD2 3.85Å; R104-Y268 HydrophobicContact CG-CE1 3.4Å; R104-Y268 VanDerWaalsContact CG-CE1 3.4Å; R104-Y268 HydrophobicContact CG-CE2 3.98Å; R104-Y268 HydrophobicContact CG-CG 3.49Å; R104-Y268 VanDerWaalsContact CG-CG 3.49Å
105	E	92.6	Very high	83.4	Confident	6 Å²	6	26.9 Å²	26.9	3%	0.028	12%	0.121	C	C	.	.	H	α-helix	trans	-64.8	-42.9	179.7	-63.7	66.2	-139.4	0	0	110.1	W83 S103 A107 F108 V109 Y236 S272 Y275	W83-E105 HydrophobicContact CB-CG 4.32Å; W83-E105 HydrophobicContact CD2-CB 3.92Å; W83-E105 HydrophobicContact CD2-CG 3.65Å; W83-E105 HydrophobicContact CE3-CB 3.93Å; W83-E105 HydrophobicContact CE3-CG 3.61Å; W83-E105 HydrophobicContact CG-CG 3.98Å; W83-E105 HydrophobicContact CH2-CB 4.12Å; W83-E105 HydrophobicContact CZ2-CB 4.11Å; W83-E105 HydrophobicContact CZ3-CB 4.03Å; W83-E105 HydrophobicContact CZ3-CG 4.16Å; S103-E105 VanDerWaalsContact C-N 3.26Å; S103-E105 VanDerWaalsContact CB-OE2 3.32Å; S103-E105 WeakPolarHBondContact CB-OE2 3.28Å; S103-E105 PolarHBondContact O-N 2.93Å; S103-E105 PolarHBondContact OG-N 3.29Å; S103-E105 PolarHBondContact OG-OE2 2.77Å; E105-A107 PolarHBondContact O-N 3.23Å; E105-F108 PolarHBondContact O-N 3.01Å; E105-V109 WeakPolarHBondContact O-CG2 3.3Å; E105-V109 PolarHBondContact O-N 2.77Å; E105-Y236 HydrophobicContact CG-CE2 4.29Å; E105-Y236 PolarHBondContact OE1-OH 3.37Å; E105-S272 VanDerWaalsContact CD-OG 3.31Å; E105-S272 PolarHBondContact OE1-OG 2.88Å; E105-S272 WeakPolarHBondContact OE2-CB 3.14Å; E105-S272 PolarHBondContact OE2-OG 2.83Å; E105-Y275 HydrophobicContact CG-CE2 3.99Å; E105-Y275 PolarHBondContact OE2-OH 2.99Å
106	V	91.9	Very high	85.5	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.012	12%	0.116	C	C	.	.	H	α-helix	trans	-61.5	-45.5	175.2	174.7	0	0	0	0	111.1	L99 R101 S103 R104 F108 V109 Y110 M184	L99-V106 HydrophobicContact CB-CG2 3.57Å; L99-V106 HydrophobicContact CD1-CG2 3.43Å; L99-V106 VanDerWaalsContact CD1-CG2 3.43Å; L99-V106 HydrophobicContact CG-CG2 4.01Å; R101-V106 WeakPolarHBondContact O-CG2 3.35Å; S103-V106 WeakPolarHBondContact O-CB 3.45Å; S103-V106 PolarHBondContact O-N 3.44Å; R104-V106 VanDerWaalsContact C-N 3.34Å; V106-F108 PolarHBondContact O-N 3.3Å; V106-V109 PolarHBondContact O-N 3.39Å; V106-V109 VanDerWaalsContact O-N 3.07Å; V106-Y110 HydrophobicContact CG1-CD2 3.62Å; V106-Y110 HydrophobicContact CG1-CE2 3.63Å; V106-Y110 WeakPolarHBondContact O-CD2 3.41Å; V106-Y110 PolarHBondContact O-N 3.04Å; V106-M184 HydrophobicContact CG1-CE 4.12Å
107	A	95.6	Very high	87.4	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-55.1	-43	176.6	0	0	0	0	0	112	S103 R104 E105 A111 N188 L266 V267	S103-A107 PolarHBondContact O-N 3.07Å; R104-A107 WeakPolarHBondContact O-CB 3.39Å; R104-A107 PolarHBondContact O-N 3.48Å; E105-A107 PolarHBondContact O-N 3.23Å; A107-A111 WeakPolarHBondContact O-CB 3.28Å; A107-A111 PolarHBondContact O-N 3.4Å; A107-N188 WeakPolarHBondContact CA-ND2 3.48Å; A107-N188 WeakPolarHBondContact CB-ND2 3.32Å; A107-L266 HydrophobicContact CB-CB 4.41Å; A107-V267 VanDerWaalsContact CB-O 3.25Å; A107-V267 WeakPolarHBondContact CB-O 3.38Å
108	F	96.1	Very high	89.4	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.4	-43.7	174.6	-178.6	-88.1	0	0	0	112.4	C74 Q77 F78 R104 E105 V106 Y110 A111 I112 L232 R233 Y236 L266	C74-F108 HydrophobicContact CB-CE1 4.24Å; Q77-F108 HydrophobicContact CB-CZ 4.19Å; Q77-F108 HydrophobicContact CG-CZ 4.19Å; F78-F108 HydrophobicContact CD2-CD1 4.38Å; F78-F108 HydrophobicContact CD2-CE1 4.16Å; F78-F108 AromaticContact CE2-CD1 3.5Å; F78-F108 HydrophobicContact CE2-CD1 3.5Å; F78-F108 VanDerWaalsContact CE2-CD1 3.5Å; F78-F108 HydrophobicContact CE2-CD2 4.16Å; F78-F108 AromaticContact CE2-CE1 3.57Å; F78-F108 HydrophobicContact CE2-CE1 3.57Å; F78-F108 HydrophobicContact CE2-CE2 4.19Å; F78-F108 AromaticContact CE2-CG 3.81Å; F78-F108 HydrophobicContact CE2-CG 3.81Å; F78-F108 AromaticContact CE2-CZ 3.92Å; F78-F108 HydrophobicContact CE2-CZ 3.92Å; F78-F108 HydrophobicContact CZ-CB 4.45Å; F78-F108 HydrophobicContact CZ-CD1 4.16Å; F78-F108 HydrophobicContact CZ-CG 4.11Å; R104-F108 PolarHBondContact O-N 3.34Å; R104-F108 VanDerWaalsContact O-N 3.11Å; E105-F108 PolarHBondContact O-N 3.01Å; V106-F108 PolarHBondContact O-N 3.3Å; F108-Y110 PolarHBondContact O-N 3.42Å; F108-A111 PolarHBondContact O-N 2.93Å; F108-I112 HydrophobicContact CD1-CB 4.46Å; F108-I112 HydrophobicContact CD1-CG2 4.16Å; F108-I112 HydrophobicContact CE1-CB 3.99Å; F108-I112 HydrophobicContact CE1-CG1 4.37Å; F108-I112 HydrophobicContact CE1-CG2 3.9Å; F108-I112 HydrophobicContact CZ-CB 4.27Å; F108-I112 HydrophobicContact CZ-CG1 4.45Å; F108-I112 WeakPolarHBondContact O-CG2 3.47Å; F108-I112 PolarHBondContact O-N 2.03Å; F108-L232 HydrophobicContact CD2-CB 4.12Å; F108-L232 HydrophobicContact CE2-CB 3.63Å; F108-L232 HydrophobicContact CZ-CB 4.47Å; F108-R233 HydrophobicContact CE2-CB 4.35Å; F108-Y236 HydrophobicContact CB-CD2 3.87Å; F108-Y236 HydrophobicContact CB-CG 4.49Å; F108-L266 HydrophobicContact CB-CD1 4.37Å; F108-L266 HydrophobicContact CD2-CD1 4.4Å
109	V	94.1	Very high	91.4	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.024	9%	0.093	C	C	.	.	H	α-helix	trans	-62.3	-43.2	-179.3	177.3	0	0	0	0	112	W83 T88 L94 L98 E105 V106 A111 I112 S113	W83-V109 HydrophobicContact CH2-CG2 3.55Å; W83-V109 HydrophobicContact CZ2-CG2 3.85Å; T88-V109 HydrophobicContact CG2-CG1 4.34Å; L94-V109 HydrophobicContact CD2-CG1 4.18Å; L98-V109 HydrophobicContact CD2-CB 4.18Å; L98-V109 HydrophobicContact CD2-CG1 3.37Å; L98-V109 HydrophobicContact CD2-CG2 4.44Å; E105-V109 WeakPolarHBondContact O-CG2 3.3Å; E105-V109 PolarHBondContact O-N 2.77Å; V106-V109 PolarHBondContact O-N 3.39Å; V106-V109 VanDerWaalsContact O-N 3.07Å; V109-A111 VanDerWaalsContact C-N 3.34Å; V109-A111 PolarHBondContact O-N 3.38Å; V109-I112 WeakPolarHBondContact O-CG2 3.33Å; V109-S113 WeakPolarHBondContact O-CB 3.44Å; V109-S113 PolarHBondContact O-N 3.35Å; V109-S113 PolarHBondContact O-OG 3.24Å
110	Y	94.8	Very high	93.1	Very high	20 Å²	20	20.6 Å²	20.6	8%	0.078	9%	0.093	C	C	.	.	H	α-helix	trans	-62.1	-42.7	174.8	-87	-90.3	0	0	0	111.5	V106 F108 S114 E174 N185 N189	V106-Y110 HydrophobicContact CG1-CD2 3.62Å; V106-Y110 HydrophobicContact CG1-CE2 3.63Å; V106-Y110 WeakPolarHBondContact O-CD2 3.41Å; V106-Y110 PolarHBondContact O-N 3.04Å; F108-Y110 PolarHBondContact O-N 3.42Å; Y110-S114 WeakPolarHBondContact O-CB 3.42Å; Y110-S114 PolarHBondContact O-N 2.65Å; Y110-S114 PolarHBondContact O-OG 3.34Å; Y110-E174 HydrophobicContact CE1-CG 4.47Å; Y110-E174 PolarHBondContact OH-OE1 3.42Å; Y110-N185 HydrophobicContact CD1-CB 3.79Å; Y110-N185 WeakPolarHBondContact CD2-OD1 3.25Å; Y110-N185 HydrophobicContact CE1-CB 3.63Å; Y110-N185 VanDerWaalsContact CE2-OD1 3.27Å; Y110-N185 WeakPolarHBondContact CE2-OD1 3.36Å; Y110-N185 HydrophobicContact CG-CB 4.3Å; Y110-N185 VanDerWaalsContact CZ-ND2 3.25Å; Y110-N185 PolarHBondContact OH-ND2 3.04Å; Y110-N189 WeakPolarHBondContact CB-OD1 3.44Å; Y110-N189 WeakPolarHBondContact CD1-OD1 3.07Å; Y110-N189 PolarHBondContact O-OD1 3Å; Y110-N189 VanDerWaalsContact O-OD1 3.04Å
111	A	97.4	Very high	94.7	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64	-49.4	177.1	0	0	0	0	0	112.8	A107 F108 V109 S113 S114 A115 N188 G192 L232 L266	A107-A111 WeakPolarHBondContact O-CB 3.28Å; A107-A111 PolarHBondContact O-N 3.4Å; F108-A111 PolarHBondContact O-N 2.93Å; V109-A111 VanDerWaalsContact C-N 3.34Å; V109-A111 PolarHBondContact O-N 3.38Å; A111-S113 PolarHBondContact O-N 3.27Å; A111-S114 PolarHBondContact O-OG 3.27Å; A111-A115 WeakPolarHBondContact O-CB 3.43Å; A111-A115 PolarHBondContact O-N 3.38Å; A111-N188 WeakPolarHBondContact CA-O 3.48Å; A111-N188 WeakPolarHBondContact CB-O 3.37Å; A111-G192 VanDerWaalsContact O-CA 3.22Å; A111-G192 WeakPolarHBondContact O-CA 3.3Å; A111-L232 HydrophobicContact CB-CD1 4.19Å; A111-L232 HydrophobicContact CB-CD2 4.05Å; A111-L266 HydrophobicContact CB-CD1 4.43Å; A111-L266 HydrophobicContact CB-CD2 3.6Å
112	I	96.9	Very high	95.7	Very high	3 Å²	3	8.5 Å²	8.5	2%	0.015	4%	0.038	C	C	.	.	H	α-helix	trans	-69.7	-34.2	-178.6	-163.8	67.5	0	0	0	112	E73 C74 F108 V109 G116 F225 L232	E73-I112 HydrophobicContact CG-CD1 4.35Å; C74-I112 HydrophobicContact CB-CG2 4.32Å; F108-I112 HydrophobicContact CD1-CB 4.46Å; F108-I112 HydrophobicContact CD1-CG2 4.16Å; F108-I112 HydrophobicContact CE1-CB 3.99Å; F108-I112 HydrophobicContact CE1-CG1 4.37Å; F108-I112 HydrophobicContact CE1-CG2 3.9Å; F108-I112 HydrophobicContact CZ-CB 4.27Å; F108-I112 HydrophobicContact CZ-CG1 4.45Å; F108-I112 WeakPolarHBondContact O-CG2 3.47Å; F108-I112 PolarHBondContact O-N 2.03Å; V109-I112 WeakPolarHBondContact O-CG2 3.33Å; I112-G116 PolarHBondContact O-N 3.22Å; I112-F225 HydrophobicContact CD1-CE1 3.61Å; I112-F225 HydrophobicContact CD1-CZ 3.59Å; I112-F225 HydrophobicContact CG1-CE1 4.07Å; I112-F225 HydrophobicContact CG1-CZ 4.12Å; I112-L232 HydrophobicContact CB-CD1 4.24Å; I112-L232 HydrophobicContact CD1-CD1 3.78Å
113	S	94.9	Very high	96.1	Very high	17 Å²	17	12.9 Å²	12.9	12%	0.119	6%	0.055	C	C	.	.	H	α-helix	trans	-70	-44.8	178.5	-56.1	0	0	0	0	111.6	V109 A111 G116 V117	V109-S113 WeakPolarHBondContact O-CB 3.44Å; V109-S113 PolarHBondContact O-N 3.35Å; V109-S113 PolarHBondContact O-OG 3.24Å; A111-S113 PolarHBondContact O-N 3.27Å; S113-G116 PolarHBondContact O-N 3.08Å; S113-V117 WeakPolarHBondContact O-CG2 3.41Å; S113-V117 PolarHBondContact O-N 3.27Å
114	S	97.3	Very high	96.3	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-66.9	-37.9	176	60.8	0	0	0	0	112.8	Y110 A111 V118 S166 N189	Y110-S114 WeakPolarHBondContact O-CB 3.42Å; Y110-S114 PolarHBondContact O-N 2.65Å; Y110-S114 PolarHBondContact O-OG 3.34Å; A111-S114 PolarHBondContact O-OG 3.27Å; S114-V118 WeakPolarHBondContact O-CG2 3.47Å; S114-V118 PolarHBondContact O-N 3.42Å; S114-S166 PolarHBondContact O-OG 3.08Å; S114-N189 VanDerWaalsContact OG-CA 3.27Å; S114-N189 WeakPolarHBondContact OG-CA 3.26Å; S114-N189 PolarHBondContact OG-O 2.79Å
115	A	98.3	Very high	96.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.8	-45.3	170.8	0	0	0	0	0	110.9	A111 V117 V118 Y119 G192 V196 F225 T228 L232	A111-A115 WeakPolarHBondContact O-CB 3.43Å; A111-A115 PolarHBondContact O-N 3.38Å; A115-V117 PolarHBondContact O-N 3.09Å; A115-V118 WeakPolarHBondContact O-CB 3.32Å; A115-V118 PolarHBondContact O-N 3.24Å; A115-Y119 WeakPolarHBondContact O-CB 3.31Å; A115-Y119 PolarHBondContact O-N 3.31Å; A115-G192 WeakPolarHBondContact CB-O 3.04Å; A115-V196 HydrophobicContact CB-CG2 3.75Å; A115-V196 WeakPolarHBondContact O-CG2 3.41Å; A115-F225 HydrophobicContact CB-CE2 4.31Å; A115-F225 HydrophobicContact CB-CZ 4.42Å; A115-T228 HydrophobicContact CB-CG2 4.02Å; A115-L232 HydrophobicContact CB-CD1 4.24Å
116	G	97.5	Very high	96.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-53.8	-53.4	175.5	0	0	0	0	0	111.4	W70 I112 S113 V118 Y119 T120	W70-G116 WeakPolarHBondContact CZ3-O 3.05Å; I112-G116 PolarHBondContact O-N 3.22Å; S113-G116 PolarHBondContact O-N 3.08Å; G116-V118 PolarHBondContact O-N 3.39Å; G116-Y119 PolarHBondContact O-N 3.06Å; G116-T120 PolarHBondContact O-N 3.46Å; G116-T120 PolarHBondContact O-OG1 3.27Å
117	V	97.3	Very high	96.7	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-55.1	-41.5	-179.6	171.6	0	0	0	0	111.2	I63 W70 S113 A115 L121 F165 V170	I63-V117 HydrophobicContact CD1-CG1 3.98Å; I63-V117 HydrophobicContact CG1-CG1 4.35Å; W70-V117 HydrophobicContact CH2-CB 4.23Å; W70-V117 HydrophobicContact CH2-CG2 3.53Å; W70-V117 HydrophobicContact CZ2-CG2 4.12Å; W70-V117 VanDerWaalsContact CZ3-CA 3.47Å; W70-V117 HydrophobicContact CZ3-CB 4.49Å; W70-V117 HydrophobicContact CZ3-CG2 4.23Å; S113-V117 WeakPolarHBondContact O-CG2 3.41Å; S113-V117 PolarHBondContact O-N 3.27Å; A115-V117 PolarHBondContact O-N 3.09Å; V117-L121 VanDerWaalsContact O-CB 3.23Å; V117-L121 WeakPolarHBondContact O-CB 3.41Å; V117-L121 PolarHBondContact O-N 3.44Å; V117-L121 VanDerWaalsContact O-N 3.09Å; V117-F165 HydrophobicContact CG1-CD1 4.47Å; V117-V170 HydrophobicContact CB-CG2 4.24Å; V117-V170 HydrophobicContact CG1-CG2 4.28Å; V117-V170 HydrophobicContact CG2-CG2 3.89Å
118	V	98.4	Very high	96.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64	-48.1	176.3	173.8	0	0	0	0	111.3	S114 A115 G116 L121 A122 V159 A162 I163 R193 V196	S114-V118 WeakPolarHBondContact O-CG2 3.47Å; S114-V118 PolarHBondContact O-N 3.42Å; A115-V118 WeakPolarHBondContact O-CB 3.32Å; A115-V118 PolarHBondContact O-N 3.24Å; G116-V118 PolarHBondContact O-N 3.39Å; V118-L121 PolarHBondContact O-N 3.11Å; V118-A122 VanDerWaalsContact O-CB 3.23Å; V118-A122 WeakPolarHBondContact O-CB 3.46Å; V118-A122 PolarHBondContact O-N 3.35Å; V118-V159 HydrophobicContact CG1-CG1 3.86Å; V118-A162 HydrophobicContact CB-CB 4.5Å; V118-A162 HydrophobicContact CG1-CB 4.02Å; V118-A162 WeakPolarHBondContact O-CB 3.18Å; V118-I163 HydrophobicContact CB-CG1 4.48Å; V118-I163 HydrophobicContact CG1-CG1 3.73Å; V118-I163 HydrophobicContact CG2-CB 4.44Å; V118-I163 HydrophobicContact CG2-CG1 3.85Å; V118-R193 HydrophobicContact CG2-CB 4.16Å; V118-R193 HydrophobicContact CG2-CG 3.64Å; V118-V196 HydrophobicContact CB-CG2 4.42Å; V118-V196 HydrophobicContact CG1-CB 4.15Å; V118-V196 HydrophobicContact CG1-CG1 3.99Å; V118-V196 HydrophobicContact CG1-CG2 4.42Å
119	Y	98.3	Very high	96.7	Very high	22 Å²	22	22.8 Å²	22.8	9%	0.086	13%	0.127	C	C	.	.	H	α-helix	trans	-61.7	-50	-178	-178	-96.7	0	0	0	111.9	E69 A115 G116 L121 R123 M222 A223 F225	E69-Y119 WeakPolarHBondContact OE1-CE1 3.09Å; A115-Y119 WeakPolarHBondContact O-CB 3.31Å; A115-Y119 PolarHBondContact O-N 3.31Å; G116-Y119 PolarHBondContact O-N 3.06Å; Y119-L121 PolarHBondContact O-N 3.25Å; Y119-R123 VanDerWaalsContact O-CB 3.28Å; Y119-R123 WeakPolarHBondContact O-CB 3.4Å; Y119-R123 PolarHBondContact O-N 3.45Å; Y119-M222 HydrophobicContact CD2-CB 4.21Å; Y119-M222 HydrophobicContact CD2-CE 4.01Å; Y119-M222 HydrophobicContact CD2-SD 3.67Å; Y119-M222 HydrophobicContact CE2-CB 4.04Å; Y119-M222 HydrophobicContact CE2-CE 4.28Å; Y119-M222 HydrophobicContact CE2-SD 4.32Å; Y119-M222 HydrophobicContact CG-SD 4.36Å; Y119-M222 WeakPolarHBondContact O-CE 3.4Å; Y119-A223 WeakPolarHBondContact CE2-O 3.42Å; Y119-F225 HydrophobicContact CD1-CB 4.24Å; Y119-F225 AromaticContact CD1-CD2 3.8Å; Y119-F225 HydrophobicContact CD1-CD2 3.8Å; Y119-F225 HydrophobicContact CD1-CG 4.21Å; Y119-F225 HydrophobicContact CD2-CB 4.48Å; Y119-F225 AromaticContact CD2-CD2 3.81Å; Y119-F225 HydrophobicContact CD2-CD2 3.81Å; Y119-F225 HydrophobicContact CE1-CB 3.87Å; Y119-F225 HydrophobicContact CE1-CD2 4.3Å; Y119-F225 HydrophobicContact CE1-CG 4.34Å; Y119-F225 HydrophobicContact CE2-CB 4.14Å; Y119-F225 HydrophobicContact CE2-CD2 4.31Å; Y119-F225 AromaticContact CG-CD2 3.51Å; Y119-F225 HydrophobicContact CG-CD2 3.51Å; Y119-F225 HydrophobicContact CG-CE2 4.12Å; Y119-F225 HydrophobicContact CG-CG 4.33Å
120	T	97.5	Very high	96.7	Very high	14 Å²	14	22.9 Å²	22.9	9%	0.086	13%	0.127	C	C	.	.	H	α-helix	trans	-62.1	-45.5	179.1	-62.1	0	0	0	0	111.8	A62 W70 G116 R123 A124	A62-T120 WeakPolarHBondContact O-CG2 3.27Å; W70-T120 WeakPolarHBondContact CZ3-OG1 3.42Å; G116-T120 PolarHBondContact O-N 3.46Å; G116-T120 PolarHBondContact O-OG1 3.27Å; T120-R123 PolarHBondContact O-N 3.14Å; T120-A124 VanDerWaalsContact O-CB 3.32Å; T120-A124 WeakPolarHBondContact O-CB 3.27Å; T120-A124 PolarHBondContact O-N 3.06Å
121	L	97.4	Very high	96.5	Very high	2 Å²	2	28 Å²	28	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-68.6	-45.6	-178.4	179.4	55.9	0	0	0	111.9	V59 V117 V118 Y119 R123 A124 C125 L130 A162 F165	V59-L121 HydrophobicContact CG1-CD1 3.97Å; V59-L121 HydrophobicContact CG1-CD2 4.44Å; V59-L121 HydrophobicContact CG2-CD1 4.46Å; V117-L121 VanDerWaalsContact O-CB 3.23Å; V117-L121 WeakPolarHBondContact O-CB 3.41Å; V117-L121 PolarHBondContact O-N 3.44Å; V117-L121 VanDerWaalsContact O-N 3.09Å; V118-L121 PolarHBondContact O-N 3.11Å; Y119-L121 PolarHBondContact O-N 3.25Å; L121-R123 VanDerWaalsContact C-N 3.27Å; L121-R123 PolarHBondContact O-N 2.99Å; L121-A124 PolarHBondContact O-N 2.8Å; L121-C125 WeakPolarHBondContact O-CB 3.42Å; L121-C125 PolarHBondContact O-N 2.8Å; L121-C125 PolarHBondContact O-SG 3Å; L121-L130 HydrophobicContact CD1-CD1 3.39Å; L121-A162 HydrophobicContact CB-CB 4.01Å; L121-A162 HydrophobicContact CD2-CB 4.14Å; L121-A162 HydrophobicContact CG-CB 4.01Å; L121-F165 HydrophobicContact CD2-CB 3.45Å; L121-F165 VanDerWaalsContact CD2-CB 3.45Å; L121-F165 HydrophobicContact CD2-CD1 3.62Å; L121-F165 HydrophobicContact CD2-CD2 4.43Å; L121-F165 HydrophobicContact CD2-CG 3.56Å
122	A	97.7	Very high	96.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.2	-40.3	177.9	0	0	0	0	0	111.5	V118 S126 V159 A162 M222	V118-A122 VanDerWaalsContact O-CB 3.23Å; V118-A122 WeakPolarHBondContact O-CB 3.46Å; V118-A122 PolarHBondContact O-N 3.35Å; A122-S126 PolarHBondContact O-N 2.91Å; A122-S126 VanDerWaalsContact O-N 3.08Å; A122-S126 PolarHBondContact O-OG 3.37Å; A122-V159 HydrophobicContact CB-CG2 4.05Å; A122-A162 HydrophobicContact CB-CB 3.83Å; A122-M222 HydrophobicContact CB-CE 3.58Å; A122-M222 HydrophobicContact CB-SD 3.7Å
123	R	96.8	Very high	96.1	Very high	91 Å²	91	32.3 Å²	32.3	34%	0.343	19%	0.186	S	C	.	.	H	α-helix	trans	-67.9	-45.1	176.8	-176.9	176.7	129.1	-165.1	-5.9	112.4	E69 Y119 T120 L121 C125 S126 Q127 M222	E69-R123 IonicContact OE1-NH1 2.68Å; E69-R123 IonicContact OE2-CZ 3.35Å; E69-R123 IonicContact OE2-NH1 3.88Å; E69-R123 PolarHBondContact OE2-NH1 3.41Å; Y119-R123 VanDerWaalsContact O-CB 3.28Å; Y119-R123 WeakPolarHBondContact O-CB 3.4Å; Y119-R123 PolarHBondContact O-N 3.45Å; T120-R123 PolarHBondContact O-N 3.14Å; L121-R123 VanDerWaalsContact C-N 3.27Å; L121-R123 PolarHBondContact O-N 2.99Å; R123-C125 VanDerWaalsContact C-N 3.29Å; R123-C125 PolarHBondContact O-N 3.12Å; R123-S126 PolarHBondContact O-N 2.91Å; R123-S126 PolarHBondContact O-OG 3.27Å; R123-S126 VanDerWaalsContact O-OG 3.07Å; R123-Q127 HydrophobicContact CG-CG 4.28Å; R123-Q127 WeakPolarHBondContact O-CB 3.47Å; R123-Q127 VanDerWaalsContact O-CG 3.27Å; R123-Q127 WeakPolarHBondContact O-CG 3.45Å; R123-Q127 PolarHBondContact O-N 2.83Å; R123-M222 HydrophobicContact CB-CE 3.92Å
124	A	97.2	Very high	96.1	Very high	6 Å²	6	35 Å²	35	5%	0.05	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-38.8	177.2	0	0	0	0	0	111.6	A62 T120 L121 G128 D129 L130	A62-A124 HydrophobicContact CB-CB 4.26Å; T120-A124 VanDerWaalsContact O-CB 3.32Å; T120-A124 WeakPolarHBondContact O-CB 3.27Å; T120-A124 PolarHBondContact O-N 3.06Å; L121-A124 PolarHBondContact O-N 2.8Å; A124-G128 PolarHBondContact O-N 3.01Å; A124-D129 HydrophobicContact CB-CB 4.23Å; A124-D129 PolarHBondContact O-N 3.23Å; A124-L130 HydrophobicContact CB-CD1 3.64Å; A124-L130 HydrophobicContact CB-CG 3.98Å
125	C	96.9	Very high	96	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.027	22%	0.22	C	C	.	.	H	α-helix	trans	-64.2	-41.3	174	-64.1	0	0	0	0	112.6	L121 R123 G128 C133	L121-C125 WeakPolarHBondContact O-CB 3.42Å; L121-C125 PolarHBondContact O-N 2.8Å; L121-C125 PolarHBondContact O-SG 3Å; R123-C125 VanDerWaalsContact C-N 3.29Å; R123-C125 PolarHBondContact O-N 3.12Å; C125-G128 PolarHBondContact O-N 3.21Å; C125-C133 VanDerWaalsContact CA-SG 3.51Å; C125-C133 HydrophobicContact CB-CB 3.88Å; C125-C133 WeakPolarHBondContact CB-SG 3.5Å; C125-C133 WeakPolarHBondContact SG-CB 3.48Å; C125-C133 CovalentContact SG-SG 2.02Å; C125-C133 PolarHBondContact SG-SG 2.95Å
126	S	96.1	Very high	96	Very high	26 Å²	26	38.3 Å²	38.3	18%	0.182	23%	0.226	C	C	.	.	H	α-helix	trans	-77.9	-23.8	-178.7	61	0	0	0	0	114.1	A122 R123 G128 C155 D157	A122-S126 PolarHBondContact O-N 2.91Å; A122-S126 VanDerWaalsContact O-N 3.08Å; A122-S126 PolarHBondContact O-OG 3.37Å; R123-S126 PolarHBondContact O-N 2.91Å; R123-S126 PolarHBondContact O-OG 3.27Å; R123-S126 VanDerWaalsContact O-OG 3.07Å; S126-G128 VanDerWaalsContact C-N 3.31Å; S126-C155 WeakPolarHBondContact CA-SG 3.42Å; S126-C155 WeakPolarHBondContact CB-SG 3.22Å; S126-C155 PolarHBondContact O-SG 3.08Å; S126-C155 VanDerWaalsContact O-SG 3.33Å; S126-D157 WeakPolarHBondContact CB-OD1 3.46Å; S126-D157 PolarHBondContact OG-OD1 3.46Å
127	Q	95.3	Very high	95.9	Very high	111 Å²	111	41.3 Å²	41.3	52%	0.519	25%	0.245	S	C	.	.	H	α-helix	trans	-79.6	-13.9	172.1	-70.2	179.4	-28.9	0	0	112.8	R123	R123-Q127 HydrophobicContact CG-CG 4.28Å; R123-Q127 WeakPolarHBondContact O-CB 3.47Å; R123-Q127 VanDerWaalsContact O-CG 3.27Å; R123-Q127 WeakPolarHBondContact O-CG 3.45Å; R123-Q127 PolarHBondContact O-N 2.83Å
128	G	95	Very high	95.8	Very high	55 Å²	55	45.9 Å²	45.9	57%	0.567	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	17	-177.5	0	0	0	0	0	113.8	A124 C125 S126 L130	A124-G128 PolarHBondContact O-N 3.01Å; C125-G128 PolarHBondContact O-N 3.21Å; S126-G128 VanDerWaalsContact C-N 3.31Å; G128-L130 PolarHBondContact O-N 2.83Å
129	D	94.9	Very high	95.6	Very high	102 Å²	102	49.1 Å²	49.1	55%	0.545	29%	0.287	S	S	.	.			trans	-73.4	-16.1	179.6	-63.9	-23.4	0	0	0	112.6	A124	A124-D129 HydrophobicContact CB-CB 4.23Å; A124-D129 PolarHBondContact O-N 3.23Å
130	L	94.6	Very high	95.5	Very high	6 Å²	6	55.5 Å²	55.5	3%	0.031	32%	0.315	C	S	.	.			trans	-127.1	116.2	-174.3	-65	175.3	0	0	0	111.4	K58 V59 A62 L121 A124 G128 S132 C133	K58-L130 HydrophobicContact CB-CD2 3.82Å; V59-L130 HydrophobicContact CG2-CD1 4.24Å; V59-L130 HydrophobicContact CG2-CD2 4.34Å; A62-L130 HydrophobicContact CB-CD1 4.44Å; A62-L130 HydrophobicContact CB-CD2 4.31Å; L121-L130 HydrophobicContact CD1-CD1 3.39Å; A124-L130 HydrophobicContact CB-CD1 3.64Å; A124-L130 HydrophobicContact CB-CG 3.98Å; G128-L130 PolarHBondContact O-N 2.83Å; L130-S132 PolarHBondContact O-N 2.93Å; L130-C133 PolarHBondContact O-N 2.86Å
131	D	91.2	Very high	95.4	Very high	128 Å²	128	57.1 Å²	57.1	68%	0.684	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-21	178.7	-46.1	-46.2	0	0	0	113.3	K58 C133	K58-D131 IonicContact NZ-OD2 2.73Å; K58-D131 PolarHBondContact NZ-OD2 3.38Å; D131-C133 VanDerWaalsContact C-N 3.27Å; D131-C133 PolarHBondContact O-N 3.27Å
132	S	90.6	Very high	95.3	Very high	71 Å²	71	61.4 Å²	61.4	50%	0.497	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-3.1	-175.1	58	0	0	0	0	114.3	L130	L130-S132 PolarHBondContact O-N 2.93Å
133	C	94.6	Very high	95.2	Very high	22 Å²	22	63.6 Å²	63.6	15%	0.149	38%	0.381	C	S	.	.			trans	-148.5	169.2	-178.9	54.8	0	0	0	0	111.2	C125 L130 D131	C125-C133 VanDerWaalsContact CA-SG 3.51Å; C125-C133 HydrophobicContact CB-CB 3.88Å; C125-C133 WeakPolarHBondContact CB-SG 3.5Å; C125-C133 WeakPolarHBondContact SG-CB 3.48Å; C125-C133 CovalentContact SG-SG 2.02Å; C125-C133 PolarHBondContact SG-SG 2.95Å; L130-C133 PolarHBondContact O-N 2.86Å; D131-C133 VanDerWaalsContact C-N 3.27Å; D131-C133 PolarHBondContact O-N 3.27Å
134	S	94.9	Very high	95.1	Very high	74 Å²	74	68.6 Å²	68.6	52%	0.517	40%	0.399	S	S	.	.			trans	-146	174.8	-178.2	58.8	0	0	0	0	111
135	C	96.2	Very high	94.9	Very high	46 Å²	46	70.6 Å²	70.6	31%	0.311	41%	0.409	S	S	.	.	S	Bend	trans	-51.6	157.3	169	-47.3	0	0	0	0	111.6	P137 C155 S156	C135-P137 VanDerWaalsContact O-CD 3.23Å; C135-P137 WeakPolarHBondContact O-CD 3.42Å; C135-C155 HydrophobicContact CB-CB 4.08Å; C135-C155 WeakPolarHBondContact CB-SG 3.37Å; C135-C155 VanDerWaalsContact SG-CA 3.58Å; C135-C155 WeakPolarHBondContact SG-CB 3.39Å; C135-C155 CovalentContact SG-SG 2.02Å; C135-C155 PolarHBondContact SG-SG 3.34Å; C135-S156 CarbonylContact C-O 3.56Å; C135-S156 WeakPolarHBondContact CA-O 3.41Å
136	D	97.1	Very high	94.8	Very high	24 Å²	24	76.4 Å²	76.4	13%	0.128	45%	0.45	C	S	.	.			trans	-58.5	111.7	179.8	-175.7	-15	0	0	0	110.9	T138 K139 S156 H158	D136-T138 VanDerWaalsContact CG-OG1 3.26Å; D136-T138 PolarHBondContact O-N 3.07Å; D136-T138 VanDerWaalsContact OD1-CB 3.3Å; D136-T138 WeakPolarHBondContact OD1-CB 3.06Å; D136-T138 WeakPolarHBondContact OD1-CG2 3.36Å; D136-T138 PolarHBondContact OD1-N 3.2Å; D136-T138 PolarHBondContact OD1-OG1 3.46Å; D136-T138 PolarHBondContact OD2-OG1 2.83Å; D136-K139 HydrophobicContact CB-CG 4.02Å; D136-K139 PolarHBondContact O-N 3.23Å; D136-K139 VanDerWaalsContact OD2-CE 3.31Å; D136-K139 WeakPolarHBondContact OD2-CE 3.47Å; D136-S156 PolarHBondContact N-O 3.02Å; D136-H158 HydrophobicContact CB-CB 4.12Å
137	P	95.3	Very high	94.5	Very high	62 Å²	62	83.7 Å²	83.7	40%	0.403	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-12.1	-174.9	31.2	-35.9	0	0	0	112.6	C135 K139 K140	C135-P137 VanDerWaalsContact O-CD 3.23Å; C135-P137 WeakPolarHBondContact O-CD 3.42Å; P137-K139 VanDerWaalsContact C-N 3.31Å; P137-K140 WeakPolarHBondContact O-CD 3.27Å; P137-K140 VanDerWaalsContact O-CE 3.24Å; P137-K140 WeakPolarHBondContact O-CE 3.27Å
138	T	95.4	Very high	94.4	Very high	97 Å²	97	79.5 Å²	79.5	60%	0.595	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-12.4	179.8	73.2	0	0	0	0	113	D136 K140	D136-T138 VanDerWaalsContact CG-OG1 3.26Å; D136-T138 PolarHBondContact O-N 3.07Å; D136-T138 VanDerWaalsContact OD1-CB 3.3Å; D136-T138 WeakPolarHBondContact OD1-CB 3.06Å; D136-T138 WeakPolarHBondContact OD1-CG2 3.36Å; D136-T138 PolarHBondContact OD1-N 3.2Å; D136-T138 PolarHBondContact OD1-OG1 3.46Å; D136-T138 PolarHBondContact OD2-OG1 2.83Å; T138-K140 PolarHBondContact O-N 3.29Å
139	K	95.6	Very high	94.4	Very high	68 Å²	68	80.8 Å²	80.8	30%	0.296	47%	0.465	S	S	.	.			trans	-97.5	74.5	-178	-54.3	-50.3	175.2	-161.2	0	110.5	D136 P137 W152	D136-K139 HydrophobicContact CB-CG 4.02Å; D136-K139 PolarHBondContact O-N 3.23Å; D136-K139 VanDerWaalsContact OD2-CE 3.31Å; D136-K139 WeakPolarHBondContact OD2-CE 3.47Å; P137-K139 VanDerWaalsContact C-N 3.31Å; K139-W152 HydrophobicContact CB-CD2 3.8Å; K139-W152 HydrophobicContact CB-CE3 3.73Å; K139-W152 HydrophobicContact CB-CG 4.18Å; K139-W152 HydrophobicContact CB-CZ3 4.24Å; K139-W152 HydrophobicContact CD-CD2 4.34Å; K139-W152 HydrophobicContact CD-CE3 4.3Å; K139-W152 HydrophobicContact CD-CH2 3.81Å; K139-W152 HydrophobicContact CD-CZ2 3.83Å; K139-W152 HydrophobicContact CD-CZ3 4.04Å; K139-W152 HydrophobicContact CG-CE3 4.25Å; K139-W152 HydrophobicContact CG-CZ3 4.24Å; K139-W152 WeakPolarHBondContact O-CB 3.46Å
140	K	94.6	Very high	94.4	Very high	156 Å²	156	76.3 Å²	76.3	68%	0.678	44%	0.441	S	S	*	.			trans	-134.7	155.1	-178.9	-62	-178.2	-177.3	178.2	0	111	P137 T138	P137-K140 WeakPolarHBondContact O-CD 3.27Å; P137-K140 VanDerWaalsContact O-CE 3.24Å; P137-K140 WeakPolarHBondContact O-CE 3.27Å; T138-K140 PolarHBondContact O-N 3.29Å
141	G	95.1	Very high	94.5	Very high	49 Å²	49	79.4 Å²	79.4	51%	0.505	46%	0.457	S	S	.	.	S	Bend	trans	73.8	-152.7	-178.4	0	0	0	0	0	112.7	W152	G141-W152 WeakPolarHBondContact O-CB 3.43Å; G141-W152 VanDerWaalsContact O-CD1 3.26Å; G141-W152 PolarHBondContact O-N 2.89Å
142	S	95.7	Very high	94.8	Very high	91 Å²	91	75.4 Å²	75.4	64%	0.636	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	151.1	-176.8	-45.7	0	0	0	0	112.6	F150 D151	S142-F150 CarbonylContact C-O 3.53Å; S142-F150 WeakPolarHBondContact CA-O 3.48Å; S142-D151 VanDerWaalsContact CB-OD1 3.24Å; S142-D151 WeakPolarHBondContact CB-OD1 3.49Å; S142-D151 PolarHBondContact OG-OD1 3.06Å
143	S	96.3	Very high	95	Very high	47 Å²	47	73.1 Å²	73.1	33%	0.329	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	-178.3	173.7	-165.6	0	0	0	0	110.9	S149 F150	S143-S149 CarbonylContact O-C 3.57Å; S143-S149 WeakPolarHBondContact O-CA 3.34Å; S143-F150 PolarHBondContact N-O 2.86Å; S143-F150 PolarHBondContact O-N 3.22Å; S143-F150 VanDerWaalsContact O-O 3.07Å
144	R	95.1	Very high	94.9	Very high	195 Å²	195	75.6 Å²	75.6	74%	0.736	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.4	140.3	-174	-170.5	172.9	176.4	165	-0.6	111	G148	R144-G148 WeakPolarHBondContact CA-O 3.41Å; R144-G148 WeakPolarHBondContact CG-O 3.36Å
145	D	93.4	Very high	94.9	Very high	49 Å²	49	73.6 Å²	73.6	26%	0.262	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	-168	169.8	73.1	14.2	0	0	0	110.5	K147 G148 F150 R216	D145-K147 PolarHBondContact O-N 3.11Å; D145-K147 WeakPolarHBondContact OD1-CA 3.49Å; D145-K147 WeakPolarHBondContact OD1-CB 3.23Å; D145-K147 PolarHBondContact OD1-N 3.49Å; D145-G148 PolarHBondContact N-O 3Å; D145-G148 PolarHBondContact O-N 3.33Å; D145-G148 PolarHBondContact OD1-N 3.05Å; D145-F150 HydrophobicContact CB-CE1 4.15Å; D145-R216 VanDerWaalsContact CG-NH2 3.26Å; D145-R216 IonicContact OD1-CZ 3.61Å; D145-R216 IonicContact OD1-NH1 3.46Å; D145-R216 PolarHBondContact OD1-NH1 3.35Å; D145-R216 IonicContact OD1-NH2 3.54Å; D145-R216 PolarHBondContact OD1-NH2 3.43Å; D145-R216 IonicContact OD2-CZ 3.17Å; D145-R216 IonicContact OD2-NH1 3.74Å; D145-R216 PolarHBondContact OD2-NH1 2.93Å; D145-R216 IonicContact OD2-NH2 2.83Å; D145-R216 PolarHBondContact OD2-NH2 3.15Å
146	S	93.1	Very high	95	Very high	126 Å²	126	71.6 Å²	71.6	88%	0.881	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.6	178.5	55.3	0	0	0	0	115.1
147	K	90.9	Very high	95	Very high	179 Å²	179	71.3 Å²	71.3	78%	0.778	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-1	178.1	-57.7	179.6	-180	-178.3	0	113.1	D145	D145-K147 PolarHBondContact O-N 3.11Å; D145-K147 WeakPolarHBondContact OD1-CA 3.49Å; D145-K147 WeakPolarHBondContact OD1-CB 3.23Å; D145-K147 PolarHBondContact OD1-N 3.49Å
148	G	92.4	Very high	95.2	Very high	22 Å²	22	70.3 Å²	70.3	23%	0.227	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	118.6	-163	177.3	0	0	0	0	0	113.7	R144 D145 R216	R144-G148 WeakPolarHBondContact CA-O 3.41Å; R144-G148 WeakPolarHBondContact CG-O 3.36Å; D145-G148 PolarHBondContact N-O 3Å; D145-G148 PolarHBondContact O-N 3.33Å; D145-G148 PolarHBondContact OD1-N 3.05Å; G148-R216 VanDerWaalsContact C-NH2 3.3Å; G148-R216 PolarHBondContact O-NH2 3.09Å
149	S	94.9	Very high	95.3	Very high	82 Å²	82	66 Å²	66	57%	0.573	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	155.4	178	-56.9	0	0	0	0	111.6	S143 R216	S143-S149 CarbonylContact O-C 3.57Å; S143-S149 WeakPolarHBondContact O-CA 3.34Å; S149-R216 PolarHBondContact O-NE 3.03Å
150	F	96.3	Very high	95.4	Very high	9 Å²	9	66.9 Å²	66.9	4%	0.039	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	157.7	171.5	65.9	-93.8	0	0	0	110.2	S142 S143 D145 W152 L202 R216 C218	S142-F150 CarbonylContact C-O 3.53Å; S142-F150 WeakPolarHBondContact CA-O 3.48Å; S143-F150 PolarHBondContact N-O 2.86Å; S143-F150 PolarHBondContact O-N 3.22Å; S143-F150 VanDerWaalsContact O-O 3.07Å; D145-F150 HydrophobicContact CB-CE1 4.15Å; F150-W152 AromaticContact CE2-CD2 3.89Å; F150-W152 HydrophobicContact CE2-CD2 3.89Å; F150-W152 AromaticContact CE2-CE2 3.83Å; F150-W152 HydrophobicContact CE2-CE3 4.02Å; F150-W152 HydrophobicContact CE2-CG 4.5Å; F150-W152 HydrophobicContact CE2-CH2 4.04Å; F150-W152 AromaticContact CE2-CZ2 3.92Å; F150-W152 HydrophobicContact CE2-CZ2 3.92Å; F150-W152 HydrophobicContact CE2-CZ3 4.09Å; F150-W152 HydrophobicContact CZ-CH2 4.1Å; F150-W152 AromaticContact CZ-CZ2 3.95Å; F150-W152 HydrophobicContact CZ-CZ2 3.95Å; F150-L202 HydrophobicContact CD1-CD2 4.4Å; F150-L202 HydrophobicContact CE1-CD2 3.74Å; F150-L202 HydrophobicContact CE2-CD1 4.06Å; F150-L202 HydrophobicContact CE2-CD2 4.39Å; F150-L202 HydrophobicContact CZ-CD1 3.93Å; F150-L202 HydrophobicContact CZ-CD2 3.73Å; F150-L202 HydrophobicContact CZ-CG 4.49Å; F150-R216 HydrophobicContact CB-CG 3.66Å; F150-C218 HydrophobicContact CD2-CB 3.54Å; F150-C218 HydrophobicContact CE2-CB 3.79Å; F150-C218 HydrophobicContact CG-CB 4.17Å
151	D	96.8	Very high	95.5	Very high	70 Å²	70	62.6 Å²	62.6	37%	0.374	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	138.9	171.9	-63.7	-44	0	0	0	110.4	S142 G153 R216 T217 C218	S142-D151 VanDerWaalsContact CB-OD1 3.24Å; S142-D151 WeakPolarHBondContact CB-OD1 3.49Å; S142-D151 PolarHBondContact OG-OD1 3.06Å; D151-G153 PolarHBondContact O-N 3.12Å; D151-R216 PolarHBondContact N-O 2.83Å; D151-R216 VanDerWaalsContact N-O 3.15Å; D151-T217 CarbonylContact O-C 3.57Å; D151-T217 VanDerWaalsContact O-CA 3.28Å; D151-T217 WeakPolarHBondContact O-CA 3.35Å; D151-C218 PolarHBondContact O-N 2.84Å
152	W	97.2	Very high	95.6	Very high	44 Å²	44	60.3 Å²	60.3	17%	0.167	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	130.8	167.4	-67.7	108.4	0	0	0	109.1	K139 G141 F150 L202 C218 Q220	K139-W152 HydrophobicContact CB-CD2 3.8Å; K139-W152 HydrophobicContact CB-CE3 3.73Å; K139-W152 HydrophobicContact CB-CG 4.18Å; K139-W152 HydrophobicContact CB-CZ3 4.24Å; K139-W152 HydrophobicContact CD-CD2 4.34Å; K139-W152 HydrophobicContact CD-CE3 4.3Å; K139-W152 HydrophobicContact CD-CH2 3.81Å; K139-W152 HydrophobicContact CD-CZ2 3.83Å; K139-W152 HydrophobicContact CD-CZ3 4.04Å; K139-W152 HydrophobicContact CG-CE3 4.25Å; K139-W152 HydrophobicContact CG-CZ3 4.24Å; K139-W152 WeakPolarHBondContact O-CB 3.46Å; G141-W152 WeakPolarHBondContact O-CB 3.43Å; G141-W152 VanDerWaalsContact O-CD1 3.26Å; G141-W152 PolarHBondContact O-N 2.89Å; F150-W152 AromaticContact CE2-CD2 3.89Å; F150-W152 HydrophobicContact CE2-CD2 3.89Å; F150-W152 AromaticContact CE2-CE2 3.83Å; F150-W152 HydrophobicContact CE2-CE3 4.02Å; F150-W152 HydrophobicContact CE2-CG 4.5Å; F150-W152 HydrophobicContact CE2-CH2 4.04Å; F150-W152 AromaticContact CE2-CZ2 3.92Å; F150-W152 HydrophobicContact CE2-CZ2 3.92Å; F150-W152 HydrophobicContact CE2-CZ3 4.09Å; F150-W152 HydrophobicContact CZ-CH2 4.1Å; F150-W152 AromaticContact CZ-CZ2 3.95Å; F150-W152 HydrophobicContact CZ-CZ2 3.95Å; W152-L202 HydrophobicContact CH2-CD1 3.73Å; W152-L202 HydrophobicContact CZ3-CD1 3.57Å; W152-C218 WeakPolarHBondContact CA-O 3.49Å; W152-Q220 HydrophobicContact CH2-CG 3.98Å; W152-Q220 HydrophobicContact CZ3-CG 3.9Å
153	G	93.6	Very high	95.7	Very high	23 Å²	23	56.7 Å²	56.7	24%	0.237	32%	0.321	C	S	.	.			trans	-163.3	178.6	173.1	0	0	0	0	0	111.4	D151 C218 W219	D151-G153 PolarHBondContact O-N 3.12Å; G153-C218 PolarHBondContact N-O 3.35Å; G153-W219 WeakPolarHBondContact O-CB 3.47Å
154	G	92.3	Very high	95.8	Very high	75 Å²	75	59.6 Å²	59.6	77%	0.773	33%	0.329	S	S	*	.	S	Bend	trans	66.3	-153.8	-166.5	0	0	0	0	0	111.8
155	C	96.2	Very high	95.9	Very high	31 Å²	31	51 Å²	51	21%	0.209	30%	0.297	C	S	.	.			trans	-114.7	113.4	-180	-174	0	0	0	0	110.2	S126 C135	S126-C155 WeakPolarHBondContact CA-SG 3.42Å; S126-C155 WeakPolarHBondContact CB-SG 3.22Å; S126-C155 PolarHBondContact O-SG 3.08Å; S126-C155 VanDerWaalsContact O-SG 3.33Å; C135-C155 HydrophobicContact CB-CB 4.08Å; C135-C155 WeakPolarHBondContact CB-SG 3.37Å; C135-C155 VanDerWaalsContact SG-CA 3.58Å; C135-C155 WeakPolarHBondContact SG-CB 3.39Å; C135-C155 CovalentContact SG-SG 2.02Å; C135-C155 PolarHBondContact SG-SG 3.34Å
156	S	97.9	Very high	96	Very high	5 Å²	5	48.7 Å²	48.7	4%	0.035	28%	0.284	C	S	.	.			trans	-82.6	131.7	171.6	-69.2	0	0	0	0	110.3	C135 D136 H158 W219 Q220	C135-S156 CarbonylContact C-O 3.56Å; C135-S156 WeakPolarHBondContact CA-O 3.41Å; D136-S156 PolarHBondContact N-O 3.02Å; S156-H158 PolarHBondContact O-N 2.69Å; S156-W219 WeakPolarHBondContact OG-CA 3.39Å; S156-Q220 CarbonylContact C-O 3.59Å; S156-Q220 VanDerWaalsContact CA-O 3.28Å; S156-Q220 WeakPolarHBondContact CA-O 3.38Å; S156-Q220 PolarHBondContact OG-N 2.97Å
157	D	98	Very high	96.2	Very high	18 Å²	18	45.5 Å²	45.5	10%	0.096	26%	0.256	C	S	.	.			trans	-64.4	122.3	179.6	-67.2	-35	0	0	0	111.1	S126 V159 M200 Q220 A221 M222	S126-D157 WeakPolarHBondContact CB-OD1 3.46Å; S126-D157 PolarHBondContact OG-OD1 3.46Å; D157-V159 VanDerWaalsContact C-N 3.29Å; D157-V159 HydrophobicContact CB-CG2 4.31Å; D157-V159 PolarHBondContact O-N 2.8Å; D157-M200 HydrophobicContact CB-CE 4Å; D157-Q220 PolarHBondContact N-O 3.4Å; D157-A221 VanDerWaalsContact OD2-CA 3.32Å; D157-A221 WeakPolarHBondContact OD2-CA 3.27Å; D157-M222 HydrophobicContact CB-CE 4.29Å; D157-M222 HydrophobicContact CB-CG 4.22Å; D157-M222 PolarHBondContact OD2-N 3.27Å
158	H	97.6	Very high	96.5	Very high	40 Å²	40	39.6 Å²	39.6	19%	0.185	23%	0.232	C	C	.	.			trans	-84.9	66.3	-178.4	-161.5	177.3	0	0	0	112.2	D136 S156 E160 H161 A162	D136-H158 HydrophobicContact CB-CB 4.12Å; S156-H158 PolarHBondContact O-N 2.69Å; H158-E160 VanDerWaalsContact C-N 3.3Å; H158-E160 PolarHBondContact O-N 2.77Å; H158-H161 HydrophobicContact CB-CB 4.38Å; H158-H161 PolarHBondContact O-N 2.93Å; H158-A162 PolarHBondContact O-N 3.03Å
159	V	97.8	Very high	96.6	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.036	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-34.3	-175	170.5	0	0	0	0	113.3	V118 A122 D157 H161 A162 I163 V196 K197 M200 M222	V118-V159 HydrophobicContact CG1-CG1 3.86Å; A122-V159 HydrophobicContact CB-CG2 4.05Å; D157-V159 VanDerWaalsContact C-N 3.29Å; D157-V159 HydrophobicContact CB-CG2 4.31Å; D157-V159 PolarHBondContact O-N 2.8Å; V159-H161 PolarHBondContact O-N 2.69Å; V159-A162 PolarHBondContact O-N 3.43Å; V159-I163 HydrophobicContact CG1-CD1 3.74Å; V159-I163 HydrophobicContact CG1-CG1 4.05Å; V159-I163 VanDerWaalsContact O-CG1 3.3Å; V159-I163 WeakPolarHBondContact O-CG1 3.3Å; V159-I163 PolarHBondContact O-N 2.76Å; V159-V196 HydrophobicContact CG1-CG1 4.4Å; V159-K197 HydrophobicContact CG1-CB 4.16Å; V159-M200 HydrophobicContact CB-SD 4.43Å; V159-M200 HydrophobicContact CG2-CE 3.84Å; V159-M200 HydrophobicContact CG2-CG 4.33Å; V159-M200 HydrophobicContact CG2-SD 3.48Å; V159-M200 WeakPolarHBondContact CG2-SD 3.48Å; V159-M222 HydrophobicContact CG2-CG 3.63Å; V159-M222 HydrophobicContact CG2-SD 3.7Å
160	E	97.6	Very high	96.6	Very high	88 Å²	88	35.4 Å²	35.4	41%	0.411	20%	0.198	S	C	.	.	H	α-helix	trans	-62.6	-42.2	178.7	-66.1	-53.4	111.3	0	0	112.8	H158 A162 I163 H164 K197	H158-E160 VanDerWaalsContact C-N 3.3Å; H158-E160 PolarHBondContact O-N 2.77Å; E160-A162 VanDerWaalsContact C-N 3.33Å; E160-A162 PolarHBondContact O-N 3.3Å; E160-I163 PolarHBondContact O-N 3.19Å; E160-H164 PolarHBondContact O-N 3.26Å; E160-K197 WeakPolarHBondContact OE1-CD 3.13Å; E160-K197 WeakPolarHBondContact OE1-CE 3.01Å; E160-K197 IonicContact OE1-NZ 3.34Å; E160-K197 PolarHBondContact OE1-NZ 3.29Å; E160-K197 IonicContact OE2-NZ 3.23Å; E160-K197 PolarHBondContact OE2-NZ 2.79Å
161	H	96.7	Very high	96.5	Very high	66 Å²	66	35.2 Å²	35.2	31%	0.306	20%	0.198	S	C	.	.	H	α-helix	trans	-59.9	-45.3	174.5	173.7	-95.7	0	0	0	111	H158 V159 I163 H164 F165	H158-H161 HydrophobicContact CB-CB 4.38Å; H158-H161 PolarHBondContact O-N 2.93Å; V159-H161 PolarHBondContact O-N 2.69Å; H161-I163 PolarHBondContact O-N 2.85Å; H161-H164 WeakPolarHBondContact O-CB 3.38Å; H161-H164 PolarHBondContact O-N 3.37Å; H161-F165 PolarHBondContact O-N 3.37Å
162	A	97.8	Very high	96.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66	-37	178	0	0	0	0	0	112.9	V118 L121 A122 H158 V159 E160 H164 F165 S166	V118-A162 HydrophobicContact CB-CB 4.5Å; V118-A162 HydrophobicContact CG1-CB 4.02Å; V118-A162 WeakPolarHBondContact O-CB 3.18Å; L121-A162 HydrophobicContact CB-CB 4.01Å; L121-A162 HydrophobicContact CD2-CB 4.14Å; L121-A162 HydrophobicContact CG-CB 4.01Å; A122-A162 HydrophobicContact CB-CB 3.83Å; H158-A162 PolarHBondContact O-N 3.03Å; V159-A162 PolarHBondContact O-N 3.43Å; E160-A162 VanDerWaalsContact C-N 3.33Å; E160-A162 PolarHBondContact O-N 3.3Å; A162-H164 VanDerWaalsContact C-N 3.34Å; A162-F165 PolarHBondContact O-N 3.25Å; A162-S166 WeakPolarHBondContact O-CB 3.19Å; A162-S166 PolarHBondContact O-N 3.02Å
163	I	98.4	Very high	96	Very high	15 Å²	15	31.9 Å²	31.9	8%	0.077	18%	0.184	C	C	.	.	H	α-helix	trans	-60	-44.7	171.9	-73.4	175.7	0	0	0	110.6	V118 V159 E160 H161 S166 Q167 R193 K197	V118-I163 HydrophobicContact CB-CG1 4.48Å; V118-I163 HydrophobicContact CG1-CG1 3.73Å; V118-I163 HydrophobicContact CG2-CB 4.44Å; V118-I163 HydrophobicContact CG2-CG1 3.85Å; V159-I163 HydrophobicContact CG1-CD1 3.74Å; V159-I163 HydrophobicContact CG1-CG1 4.05Å; V159-I163 VanDerWaalsContact O-CG1 3.3Å; V159-I163 WeakPolarHBondContact O-CG1 3.3Å; V159-I163 PolarHBondContact O-N 2.76Å; E160-I163 PolarHBondContact O-N 3.19Å; H161-I163 PolarHBondContact O-N 2.85Å; I163-S166 PolarHBondContact O-N 2.87Å; I163-Q167 HydrophobicContact CG2-CG 4.43Å; I163-Q167 VanDerWaalsContact O-CG 3.27Å; I163-Q167 WeakPolarHBondContact O-CG 3.38Å; I163-Q167 PolarHBondContact O-N 2.9Å; I163-R193 HydrophobicContact CG1-CB 4.19Å; I163-R193 HydrophobicContact CG2-CB 4.46Å; I163-K197 HydrophobicContact CD1-CB 4.1Å; I163-K197 HydrophobicContact CD1-CD 4.31Å
164	H	97.6	Very high	95.9	Very high	109 Å²	109	31 Å²	31	51%	0.505	17%	0.173	S	C	.	.	H	α-helix	trans	-61.6	-47.2	178.9	-176.2	69.7	0	0	0	111.5	E160 H161 A162 S166 Q167 I168	E160-H164 PolarHBondContact O-N 3.26Å; H161-H164 WeakPolarHBondContact O-CB 3.38Å; H161-H164 PolarHBondContact O-N 3.37Å; A162-H164 VanDerWaalsContact C-N 3.34Å; H164-S166 PolarHBondContact O-N 3.03Å; H164-Q167 WeakPolarHBondContact O-CB 3.41Å; H164-Q167 PolarHBondContact O-N 3.27Å; H164-I168 PolarHBondContact O-N 3.49Å; H164-I168 VanDerWaalsContact O-N 3.07Å
165	F	96.6	Very high	95.8	Very high	14 Å²	14	34.3 Å²	34.3	6%	0.061	16%	0.163	C	C	.	.	H	α-helix	trans	-59.8	-46.6	175.4	-174.6	-87.6	0	0	0	112	H56 V59 I63 V117 L121 H161 A162 Q167 I168 F169	H56-F165 HydrophobicContact CB-CE2 4.48Å; V59-F165 HydrophobicContact CB-CZ 4.38Å; V59-F165 HydrophobicContact CG1-CD1 4.24Å; V59-F165 HydrophobicContact CG1-CE1 3.64Å; V59-F165 HydrophobicContact CG1-CE2 3.92Å; V59-F165 HydrophobicContact CG1-CZ 3.45Å; V59-F165 VanDerWaalsContact CG1-CZ 3.45Å; I63-F165 HydrophobicContact CD1-CD1 4.38Å; I63-F165 HydrophobicContact CD1-CE1 3.65Å; I63-F165 HydrophobicContact CD1-CZ 4.48Å; V117-F165 HydrophobicContact CG1-CD1 4.47Å; L121-F165 HydrophobicContact CD2-CB 3.45Å; L121-F165 VanDerWaalsContact CD2-CB 3.45Å; L121-F165 HydrophobicContact CD2-CD1 3.62Å; L121-F165 HydrophobicContact CD2-CD2 4.43Å; L121-F165 HydrophobicContact CD2-CG 3.56Å; H161-F165 PolarHBondContact O-N 3.37Å; A162-F165 PolarHBondContact O-N 3.25Å; F165-Q167 VanDerWaalsContact C-N 3.27Å; F165-Q167 PolarHBondContact O-N 3.39Å; F165-I168 HydrophobicContact CD2-CD1 4.24Å; F165-I168 WeakPolarHBondContact O-CG1 3.5Å; F165-I168 PolarHBondContact O-N 3.46Å; F165-F169 HydrophobicContact CD1-CB 4.3Å; F165-F169 HydrophobicContact CE1-CB 3.87Å; F165-F169 HydrophobicContact CE1-CG 4.13Å; F165-F169 HydrophobicContact CZ-CB 4.28Å; F165-F169 HydrophobicContact CZ-CG 4.44Å; F165-F169 WeakPolarHBondContact O-CB 3.33Å; F165-F169 PolarHBondContact O-N 3.36Å
166	S	97.2	Very high	95.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.1	-36.8	177.4	179.4	0	0	0	0	111.9	S114 A162 I163 H164 V170 R193	S114-S166 PolarHBondContact O-OG 3.08Å; A162-S166 WeakPolarHBondContact O-CB 3.19Å; A162-S166 PolarHBondContact O-N 3.02Å; I163-S166 PolarHBondContact O-N 2.87Å; H164-S166 PolarHBondContact O-N 3.03Å; S166-V170 WeakPolarHBondContact O-CB 3.26Å; S166-V170 WeakPolarHBondContact O-CG2 3.31Å; S166-V170 PolarHBondContact O-N 3.19Å; S166-R193 WeakPolarHBondContact OG-CD 3.45Å
167	Q	97.4	Very high	94.8	Very high	60 Å²	60	44.5 Å²	44.5	28%	0.28	20%	0.204	S	C	.	.	H	α-helix	trans	-65.4	-42.4	174	-74.8	172.3	-8.4	0	0	113.2	I163 H164 F165 D171 R193	I163-Q167 HydrophobicContact CG2-CG 4.43Å; I163-Q167 VanDerWaalsContact O-CG 3.27Å; I163-Q167 WeakPolarHBondContact O-CG 3.38Å; I163-Q167 PolarHBondContact O-N 2.9Å; H164-Q167 WeakPolarHBondContact O-CB 3.41Å; H164-Q167 PolarHBondContact O-N 3.27Å; F165-Q167 VanDerWaalsContact C-N 3.27Å; F165-Q167 PolarHBondContact O-N 3.39Å; Q167-D171 WeakPolarHBondContact O-CB 3.48Å; Q167-R193 VanDerWaalsContact CG-CZ 3.47Å
168	I	95.8	Very high	93.9	Very high	54 Å²	54	55.2 Å²	55.2	28%	0.277	24%	0.243	S	C	.	.	H	α-helix	trans	-75.5	-31	-179.4	60.2	174.3	0	0	0	112.1	L52 H164 F165 A172	L52-I168 HydrophobicContact CD1-CG1 4.36Å; L52-I168 HydrophobicContact CD2-CD1 4.13Å; H164-I168 PolarHBondContact O-N 3.49Å; H164-I168 VanDerWaalsContact O-N 3.07Å; F165-I168 HydrophobicContact CD2-CD1 4.24Å; F165-I168 WeakPolarHBondContact O-CG1 3.5Å; F165-I168 PolarHBondContact O-N 3.46Å; I168-A172 WeakPolarHBondContact O-CB 3.29Å
169	F	95.1	Very high	93.5	Very high	0 Å²	0	56 Å²	56	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-91.7	-56.1	-175.3	-176.1	-96.5	0	0	0	113	L45 Q49 L52 M60 F95 F165 A172	L45-F169 HydrophobicContact CD2-CZ 3.97Å; Q49-F169 HydrophobicContact CB-CD2 4.26Å; Q49-F169 HydrophobicContact CB-CE2 3.72Å; Q49-F169 HydrophobicContact CB-CZ 4.2Å; Q49-F169 HydrophobicContact CG-CD2 4.2Å; Q49-F169 HydrophobicContact CG-CE2 4.02Å; Q49-F169 HydrophobicContact CG-CZ 4.37Å; Q49-F169 WeakPolarHBondContact CG-O 3.2Å; Q49-F169 PolarHBondContact NE2-O 3.34Å; L52-F169 HydrophobicContact CB-CD2 4.04Å; L52-F169 HydrophobicContact CD1-CB 4.27Å; L52-F169 HydrophobicContact CD1-CD2 4.07Å; M60-F169 HydrophobicContact CE-CE1 3.95Å; M60-F169 HydrophobicContact CE-CE2 4.02Å; M60-F169 HydrophobicContact CE-CZ 3.38Å; M60-F169 HydrophobicContact SD-CD2 4.22Å; M60-F169 HydrophobicContact SD-CE1 4.07Å; M60-F169 HydrophobicContact SD-CE2 3.59Å; M60-F169 VanDerWaalsContact SD-CE2 3.59Å; M60-F169 HydrophobicContact SD-CZ 3.51Å; M60-F169 VanDerWaalsContact SD-CZ 3.51Å; F95-F169 AromaticContact CD1-CE1 3.99Å; F95-F169 HydrophobicContact CD1-CE1 3.99Å; F95-F169 HydrophobicContact CE1-CD1 4.44Å; F95-F169 AromaticContact CE1-CE1 3.73Å; F95-F169 HydrophobicContact CE1-CE1 3.73Å; F95-F169 HydrophobicContact CZ-CE1 4.05Å; F165-F169 HydrophobicContact CD1-CB 4.3Å; F165-F169 HydrophobicContact CE1-CB 3.87Å; F165-F169 HydrophobicContact CE1-CG 4.13Å; F165-F169 HydrophobicContact CZ-CB 4.28Å; F165-F169 HydrophobicContact CZ-CG 4.44Å; F165-F169 WeakPolarHBondContact O-CB 3.33Å; F165-F169 PolarHBondContact O-N 3.36Å; F169-A172 VanDerWaalsContact O-CB 3.31Å; F169-A172 WeakPolarHBondContact O-CB 3.32Å; F169-A172 PolarHBondContact O-N 3.47Å
170	V	94.2	Very high	93.1	Very high	16 Å²	16	57.5 Å²	57.5	10%	0.097	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-69.6	-39	-175	-175.7	0	0	0	0	110.7	V117 S166 A172	V117-V170 HydrophobicContact CB-CG2 4.24Å; V117-V170 HydrophobicContact CG1-CG2 4.28Å; V117-V170 HydrophobicContact CG2-CG2 3.89Å; S166-V170 WeakPolarHBondContact O-CB 3.26Å; S166-V170 WeakPolarHBondContact O-CG2 3.31Å; S166-V170 PolarHBondContact O-N 3.19Å; V170-A172 VanDerWaalsContact C-N 3.29Å; V170-A172 PolarHBondContact O-N 2.98Å
171	D	95.1	Very high	92.8	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.027	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-81.5	-6.9	-178.9	-55.8	-11.1	0	0	0	112.9	Q167 K173 E174 R175 L186 N189 R193	Q167-D171 WeakPolarHBondContact O-CB 3.48Å; D171-K173 VanDerWaalsContact C-N 3.26Å; D171-K173 PolarHBondContact O-N 3.44Å; D171-E174 PolarHBondContact O-N 2.78Å; D171-R175 HydrophobicContact CB-CG 4.25Å; D171-R175 WeakPolarHBondContact O-CB 3.47Å; D171-R175 VanDerWaalsContact O-CG 3.31Å; D171-R175 WeakPolarHBondContact O-CG 3.38Å; D171-R175 PolarHBondContact O-N 3.09Å; D171-R175 IonicContact OD2-NH2 2.89Å; D171-L186 HydrophobicContact CB-CD2 3.43Å; D171-L186 VanDerWaalsContact CB-CD2 3.43Å; D171-N189 WeakPolarHBondContact OD1-CB 3.2Å; D171-N189 PolarHBondContact OD1-ND2 3.5Å; D171-R193 IonicContact OD1-CZ 2.88Å; D171-R193 IonicContact OD1-NH1 3.51Å; D171-R193 PolarHBondContact OD1-NH1 2.91Å; D171-R193 IonicContact OD1-NH2 3.57Å; D171-R193 PolarHBondContact OD1-NH2 3.3Å; D171-R193 IonicContact OD2-CZ 2.64Å; D171-R193 IonicContact OD2-NH1 3.14Å; D171-R193 PolarHBondContact OD2-NH1 3.33Å; D171-R193 IonicContact OD2-NH2 3.47Å; D171-R193 PolarHBondContact OD2-NH2 2.78Å
172	A	93.9	Very high	92.5	Very high	13 Å²	13	51.3 Å²	51.3	11%	0.107	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-55	-40.5	-173.1	0	0	0	0	0	113.4	V46 K48 Q49 I168 F169 V170	V46-A172 HydrophobicContact CG2-CB 4.28Å; K48-A172 HydrophobicContact CB-CB 4.33Å; K48-A172 HydrophobicContact CG-CB 4.26Å; Q49-A172 HydrophobicContact CG-CB 3.67Å; I168-A172 WeakPolarHBondContact O-CB 3.29Å; F169-A172 VanDerWaalsContact O-CB 3.31Å; F169-A172 WeakPolarHBondContact O-CB 3.32Å; F169-A172 PolarHBondContact O-N 3.47Å; V170-A172 VanDerWaalsContact C-N 3.29Å; V170-A172 PolarHBondContact O-N 2.98Å
173	K	89.2	Confident	92.3	Very high	31 Å²	31	53.4 Å²	53.4	14%	0.135	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-53.1	178.3	177.4	173.6	-178.3	175.3	0	111.1	V46 G96 D171 R175 K176	V46-K173 HydrophobicContact CG1-CB 3.91Å; V46-K173 HydrophobicContact CG1-CD 4.16Å; V46-K173 HydrophobicContact CG1-CG 3.84Å; V46-K173 HydrophobicContact CG2-CB 4.29Å; G96-K173 VanDerWaalsContact C-NZ 3.35Å; D171-K173 VanDerWaalsContact C-N 3.26Å; D171-K173 PolarHBondContact O-N 3.44Å; K173-R175 VanDerWaalsContact C-N 3.27Å; K173-R175 PolarHBondContact O-N 2.85Å; K173-K176 WeakPolarHBondContact O-CB 3.28Å; K173-K176 PolarHBondContact O-N 2.96Å; K173-K176 VanDerWaalsContact O-N 3.09Å
174	E	90.8	Very high	92.1	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.019	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-64	-33.4	-175.7	-50	-58.7	153.5	0	0	111.4	Y110 D171 K176 E177 A182 N185 L186	Y110-E174 HydrophobicContact CE1-CG 4.47Å; Y110-E174 PolarHBondContact OH-OE1 3.42Å; D171-E174 PolarHBondContact O-N 2.78Å; E174-K176 VanDerWaalsContact C-N 3.27Å; E174-K176 PolarHBondContact O-N 2.99Å; E174-E177 CarbonylContact O-C 3.55Å; E174-E177 PolarHBondContact O-N 2.96Å; E174-E177 VanDerWaalsContact O-N 3.11Å; E174-A182 HydrophobicContact CB-CB 4.21Å; E174-A182 WeakPolarHBondContact O-CB 3.39Å; E174-A182 WeakPolarHBondContact OE2-CA 3.12Å; E174-N185 HydrophobicContact CG-CB 3.81Å; E174-N185 PolarHBondContact OE1-ND2 3.34Å; E174-N185 PolarHBondContact OE2-ND2 3.38Å; E174-L186 HydrophobicContact CB-CD1 4.44Å; E174-L186 HydrophobicContact CB-CD2 3.93Å; E174-L186 HydrophobicContact CB-CG 3.86Å
175	R	90.9	Very high	92	Very high	146 Å²	146	47.5 Å²	47.5	55%	0.551	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-67.2	-22.4	175.9	-73.6	179.9	-175	-162.8	5.2	114.6	D171 K173 E177 L186	D171-R175 HydrophobicContact CB-CG 4.25Å; D171-R175 WeakPolarHBondContact O-CB 3.47Å; D171-R175 VanDerWaalsContact O-CG 3.31Å; D171-R175 WeakPolarHBondContact O-CG 3.38Å; D171-R175 PolarHBondContact O-N 3.09Å; D171-R175 IonicContact OD2-NH2 2.89Å; K173-R175 VanDerWaalsContact C-N 3.27Å; K173-R175 PolarHBondContact O-N 2.85Å; R175-E177 VanDerWaalsContact C-N 3.28Å; R175-L186 HydrophobicContact CG-CD2 4.11Å
176	K	87.7	Confident	91.9	Very high	179 Å²	179	48.7 Å²	48.7	78%	0.778	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-74.3	-28.3	174.1	-173	-178	174.5	-172	0	110.7	K173 E174	K173-K176 WeakPolarHBondContact O-CB 3.28Å; K173-K176 PolarHBondContact O-N 2.96Å; K173-K176 VanDerWaalsContact O-N 3.09Å; E174-K176 VanDerWaalsContact C-N 3.27Å; E174-K176 PolarHBondContact O-N 2.99Å
177	E	85.2	Confident	91.9	Very high	70 Å²	70	49.8 Å²	49.8	33%	0.327	23%	0.227	S	C	.	.			trans	-94.3	153.3	-177.6	-57.6	-149.5	-129.8	0	0	110.7	R97 E174 R175 A182	R97-E177 IonicContact CZ-OE1 3.32Å; R97-E177 IonicContact CZ-OE2 2.67Å; R97-E177 IonicContact NE-OE1 2.87Å; R97-E177 PolarHBondContact NE-OE1 3.12Å; R97-E177 IonicContact NE-OE2 3.59Å; R97-E177 IonicContact NH2-OE1 2.97Å; R97-E177 PolarHBondContact NH2-OE1 3Å; R97-E177 VanDerWaalsContact NH2-OE1 3.14Å; R97-E177 IonicContact NH2-OE2 2.76Å; R97-E177 PolarHBondContact NH2-OE2 2.76Å; E174-E177 CarbonylContact O-C 3.55Å; E174-E177 PolarHBondContact O-N 2.96Å; E174-E177 VanDerWaalsContact O-N 3.11Å; R175-E177 VanDerWaalsContact C-N 3.28Å; E177-A182 HydrophobicContact CB-CB 3.94Å
178	R	80.3	Confident	91.9	Very high	244 Å²	244	46.9 Å²	46.9	92%	0.921	21%	0.214	S	C	*	.			trans	-124.2	16.7	-179.1	-63.2	-168.7	179.6	-146.8	2.9	112.3
179	D	87.6	Confident	92	Very high	55 Å²	55	44.3 Å²	44.3	29%	0.294	20%	0.201	S	C	.	.	S	Bend	trans	-82.6	165.8	-180	69.4	-10.4	0	0	0	111.8	R97 R181 A182 L183	R97-D179 IonicContact CZ-OD2 3Å; R97-D179 IonicContact NH1-OD2 2.89Å; R97-D179 PolarHBondContact NH1-OD2 3.31Å; R97-D179 IonicContact NH2-OD1 3.39Å; R97-D179 IonicContact NH2-OD2 3.88Å; R97-D179 PolarHBondContact NH2-OD2 3.27Å; D179-R181 PolarHBondContact O-N 3.18Å; D179-R181 VanDerWaalsContact O-N 3.17Å; D179-A182 PolarHBondContact O-N 3.02Å; D179-A182 WeakPolarHBondContact OD1-CB 3.48Å; D179-A182 PolarHBondContact OD1-N 3.21Å; D179-L183 PolarHBondContact O-N 2.86Å
180	A	90.3	Very high	92.1	Very high	39 Å²	39	50.1 Å²	50.1	32%	0.322	22%	0.223	S	C	.	.	H	α-helix	trans	-54.4	-35.5	177.6	0	0	0	0	0	112.7	L183 M184 V244 L269	A180-L183 PolarHBondContact O-N 3.5Å; A180-M184 PolarHBondContact O-N 2.79Å; A180-V244 HydrophobicContact CB-CB 4.48Å; A180-V244 HydrophobicContact CB-CG2 3.29Å; A180-L269 HydrophobicContact CB-CD1 3.96Å; A180-L269 HydrophobicContact CB-CD2 4.38Å
181	R	90.2	Very high	92.3	Very high	21 Å²	21	49.6 Å²	49.6	8%	0.079	22%	0.22	C	C	.	.	H	α-helix	trans	-66.7	-46	-179.2	-165.8	-174.2	-171.2	89.6	14.5	111.8	L99 L100 R101 D179 L183 M184 N185 L269	L99-R181 VanDerWaalsContact O-CZ 3.3Å; L99-R181 PolarHBondContact O-NH2 2.89Å; L100-R181 PolarHBondContact O-NH1 3.16Å; R101-R181 PolarHBondContact O-NH1 3.35Å; R101-R181 PolarHBondContact O-NH2 3.32Å; D179-R181 PolarHBondContact O-N 3.18Å; D179-R181 VanDerWaalsContact O-N 3.17Å; R181-L183 VanDerWaalsContact C-N 3.29Å; R181-L183 PolarHBondContact O-N 3.49Å; R181-M184 HydrophobicContact CG-CE 4.33Å; R181-M184 WeakPolarHBondContact O-CB 3.42Å; R181-M184 PolarHBondContact O-N 3.04Å; R181-M184 VanDerWaalsContact O-N 3.14Å; R181-N185 WeakPolarHBondContact O-CB 3.26Å; R181-N185 PolarHBondContact O-N 2.85Å; R181-N185 PolarHBondContact O-ND2 3.17Å; R181-L269 HydrophobicContact CB-CD1 4.45Å
182	A	92	Very high	92.5	Very high	2 Å²	2	49.4 Å²	49.4	2%	0.017	22%	0.219	C	C	.	.	H	α-helix	trans	-57.3	-44.1	175.8	0	0	0	0	0	111.6	E174 E177 D179 M184 N185 L186	E174-A182 HydrophobicContact CB-CB 4.21Å; E174-A182 WeakPolarHBondContact O-CB 3.39Å; E174-A182 WeakPolarHBondContact OE2-CA 3.12Å; E177-A182 HydrophobicContact CB-CB 3.94Å; D179-A182 PolarHBondContact O-N 3.02Å; D179-A182 WeakPolarHBondContact OD1-CB 3.48Å; D179-A182 PolarHBondContact OD1-N 3.21Å; A182-M184 PolarHBondContact O-N 2.98Å; A182-N185 PolarHBondContact O-N 3.31Å; A182-L186 WeakPolarHBondContact O-CB 3.31Å; A182-L186 WeakPolarHBondContact O-CG 3.28Å; A182-L186 PolarHBondContact O-N 2.93Å
183	L	93.3	Very high	92.7	Very high	45 Å²	45	49 Å²	49	24%	0.236	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-45.8	175.6	-65.7	175	0	0	0	111.7	D179 A180 R181 L186 H187 V244 G248 F251	D179-L183 PolarHBondContact O-N 2.86Å; A180-L183 PolarHBondContact O-N 3.5Å; R181-L183 VanDerWaalsContact C-N 3.29Å; R181-L183 PolarHBondContact O-N 3.49Å; L183-L186 PolarHBondContact O-N 3.28Å; L183-H187 WeakPolarHBondContact O-CB 3.44Å; L183-H187 PolarHBondContact O-N 3.48Å; L183-V244 HydrophobicContact CD1-CG1 4.03Å; L183-V244 HydrophobicContact CD1-CG2 4.37Å; L183-G248 WeakPolarHBondContact CD1-O 3.41Å; L183-F251 HydrophobicContact CB-CE1 4.05Å; L183-F251 HydrophobicContact CB-CZ 3.79Å
184	M	94.6	Very high	93.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-48.5	178.5	-179.5	-160.5	72.6	0	0	110.6	V106 A180 R181 A182 L186 H187 N188 F251 V267 L269	V106-M184 HydrophobicContact CG1-CE 4.12Å; A180-M184 PolarHBondContact O-N 2.79Å; R181-M184 HydrophobicContact CG-CE 4.33Å; R181-M184 WeakPolarHBondContact O-CB 3.42Å; R181-M184 PolarHBondContact O-N 3.04Å; R181-M184 VanDerWaalsContact O-N 3.14Å; A182-M184 PolarHBondContact O-N 2.98Å; M184-L186 PolarHBondContact O-N 3.04Å; M184-H187 PolarHBondContact O-N 3.28Å; M184-N188 PolarHBondContact O-N 3.21Å; M184-N188 PolarHBondContact O-ND2 2.64Å; M184-N188 VanDerWaalsContact O-ND2 3.16Å; M184-F251 HydrophobicContact CB-CZ 4.44Å; M184-V267 HydrophobicContact CG-CG2 4.05Å; M184-V267 WeakPolarHBondContact CG-O 3.32Å; M184-L269 HydrophobicContact CB-CD1 4.15Å; M184-L269 HydrophobicContact CB-CG 4.27Å; M184-L269 HydrophobicContact CG-CG 4.33Å; M184-L269 HydrophobicContact SD-CB 4.4Å; M184-L269 HydrophobicContact SD-CD1 3.99Å; M184-L269 HydrophobicContact SD-CG 3.76Å
185	N	94.6	Very high	93.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.1	-45.9	179.3	-67.6	-17.9	0	0	0	111.7	Y110 E174 R181 A182 H187 N188 N189	Y110-N185 HydrophobicContact CD1-CB 3.79Å; Y110-N185 WeakPolarHBondContact CD2-OD1 3.25Å; Y110-N185 HydrophobicContact CE1-CB 3.63Å; Y110-N185 VanDerWaalsContact CE2-OD1 3.27Å; Y110-N185 WeakPolarHBondContact CE2-OD1 3.36Å; Y110-N185 HydrophobicContact CG-CB 4.3Å; Y110-N185 VanDerWaalsContact CZ-ND2 3.25Å; Y110-N185 PolarHBondContact OH-ND2 3.04Å; E174-N185 HydrophobicContact CG-CB 3.81Å; E174-N185 PolarHBondContact OE1-ND2 3.34Å; E174-N185 PolarHBondContact OE2-ND2 3.38Å; R181-N185 WeakPolarHBondContact O-CB 3.26Å; R181-N185 PolarHBondContact O-N 2.85Å; R181-N185 PolarHBondContact O-ND2 3.17Å; A182-N185 PolarHBondContact O-N 3.31Å; N185-H187 VanDerWaalsContact C-N 3.32Å; N185-H187 PolarHBondContact O-N 3.43Å; N185-N188 PolarHBondContact O-N 3.01Å; N185-N189 VanDerWaalsContact O-CB 3.3Å; N185-N189 WeakPolarHBondContact O-CB 3.42Å; N185-N189 PolarHBondContact O-N 3.14Å
186	L	95.5	Very high	93.8	Very high	38 Å²	38	44.3 Å²	44.3	20%	0.199	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-39.7	176.6	-72	170.5	0	0	0	112.5	D171 E174 R175 A182 L183 M184 R190	D171-L186 HydrophobicContact CB-CD2 3.43Å; D171-L186 VanDerWaalsContact CB-CD2 3.43Å; E174-L186 HydrophobicContact CB-CD1 4.44Å; E174-L186 HydrophobicContact CB-CD2 3.93Å; E174-L186 HydrophobicContact CB-CG 3.86Å; R175-L186 HydrophobicContact CG-CD2 4.11Å; A182-L186 WeakPolarHBondContact O-CB 3.31Å; A182-L186 WeakPolarHBondContact O-CG 3.28Å; A182-L186 PolarHBondContact O-N 2.93Å; L183-L186 PolarHBondContact O-N 3.28Å; M184-L186 PolarHBondContact O-N 3.04Å; L186-R190 WeakPolarHBondContact O-CB 3.36Å; L186-R190 PolarHBondContact O-N 3.17Å; L186-R190 VanDerWaalsContact O-N 3.09Å
187	H	96.4	Very high	94.3	Very high	23 Å²	23	40.6 Å²	40.6	11%	0.106	18%	0.182	C	C	.	.	H	α-helix	trans	-65.7	-49.8	176.5	178.6	96	0	0	0	111.6	L183 M184 N185 N189 R190 A191 F251 S262 D265 V267	L183-H187 WeakPolarHBondContact O-CB 3.44Å; L183-H187 PolarHBondContact O-N 3.48Å; M184-H187 PolarHBondContact O-N 3.28Å; N185-H187 VanDerWaalsContact C-N 3.32Å; N185-H187 PolarHBondContact O-N 3.43Å; H187-N189 VanDerWaalsContact C-N 3.35Å; H187-N189 PolarHBondContact O-N 2.73Å; H187-R190 WeakPolarHBondContact O-CB 3.36Å; H187-R190 PolarHBondContact O-N 2.9Å; H187-R190 VanDerWaalsContact O-N 3.15Å; H187-A191 PolarHBondContact O-N 2.89Å; H187-F251 HydrophobicContact CB-CE2 3.82Å; H187-F251 HydrophobicContact CB-CZ 4.4Å; H187-S262 PolarHBondContact CE1-O 3.13Å; H187-S262 VanDerWaalsContact CE1-O 3.29Å; H187-D265 PolarHBondContact CD2-O 2.03Å; H187-D265 PolarHBondContact NE2-O 3.49Å; H187-V267 HydrophobicContact CB-CG2 4.23Å
188	N	97.6	Very high	94.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.6	-38	-179.9	-68.6	-34.6	0	0	0	111.9	A107 A111 M184 N185 R190 A191 G192 L266 V267	A107-N188 WeakPolarHBondContact CA-ND2 3.48Å; A107-N188 WeakPolarHBondContact CB-ND2 3.32Å; A111-N188 WeakPolarHBondContact CA-O 3.48Å; A111-N188 WeakPolarHBondContact CB-O 3.37Å; M184-N188 PolarHBondContact O-N 3.21Å; M184-N188 PolarHBondContact O-ND2 2.64Å; M184-N188 VanDerWaalsContact O-ND2 3.16Å; N185-N188 PolarHBondContact O-N 3.01Å; N188-R190 VanDerWaalsContact C-N 3.32Å; N188-R190 PolarHBondContact O-N 3.2Å; N188-A191 PolarHBondContact O-N 3.48Å; N188-G192 PolarHBondContact O-N 3.29Å; N188-L266 HydrophobicContact CB-CD2 4.29Å; N188-L266 WeakPolarHBondContact OD1-CA 3.45Å; N188-V267 PolarHBondContact ND2-O 2.92Å; N188-V267 PolarHBondContact OD1-N 2.83Å
189	N	97.6	Very high	95.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.4	-44.8	171.7	-76.8	-10.5	0	0	0	111.8	Y110 S114 D171 N185 H187 A191 G192 R193	Y110-N189 WeakPolarHBondContact CB-OD1 3.44Å; Y110-N189 WeakPolarHBondContact CD1-OD1 3.07Å; Y110-N189 PolarHBondContact O-OD1 3Å; Y110-N189 VanDerWaalsContact O-OD1 3.04Å; S114-N189 VanDerWaalsContact OG-CA 3.27Å; S114-N189 WeakPolarHBondContact OG-CA 3.26Å; S114-N189 PolarHBondContact OG-O 2.79Å; D171-N189 WeakPolarHBondContact OD1-CB 3.2Å; D171-N189 PolarHBondContact OD1-ND2 3.5Å; N185-N189 VanDerWaalsContact O-CB 3.3Å; N185-N189 WeakPolarHBondContact O-CB 3.42Å; N185-N189 PolarHBondContact O-N 3.14Å; H187-N189 VanDerWaalsContact C-N 3.35Å; H187-N189 PolarHBondContact O-N 2.73Å; N189-A191 VanDerWaalsContact C-N 3.35Å; N189-A191 PolarHBondContact O-N 3.21Å; N189-G192 PolarHBondContact O-N 3.32Å; N189-R193 WeakPolarHBondContact O-CG 3.47Å; N189-R193 PolarHBondContact O-N 3.33Å
190	R	97.9	Very high	96	Very high	122 Å²	122	33.6 Å²	33.6	46%	0.46	15%	0.152	S	C	.	.	H	α-helix	trans	-62.8	-41.9	176.7	-179.3	-174.4	-68	169.6	-3.9	111.5	L186 H187 N188 G192 K194	L186-R190 WeakPolarHBondContact O-CB 3.36Å; L186-R190 PolarHBondContact O-N 3.17Å; L186-R190 VanDerWaalsContact O-N 3.09Å; H187-R190 WeakPolarHBondContact O-CB 3.36Å; H187-R190 PolarHBondContact O-N 2.9Å; H187-R190 VanDerWaalsContact O-N 3.15Å; N188-R190 VanDerWaalsContact C-N 3.32Å; N188-R190 PolarHBondContact O-N 3.2Å; R190-G192 VanDerWaalsContact C-N 3.35Å; R190-K194 HydrophobicContact CG-CD 4.44Å; R190-K194 WeakPolarHBondContact O-CB 3.36Å; R190-K194 WeakPolarHBondContact O-CG 3.22Å; R190-K194 PolarHBondContact O-N 2.93Å; R190-K194 VanDerWaalsContact O-N 3.08Å
191	A	98.3	Very high	96.3	Very high	5 Å²	5	33.4 Å²	33.4	4%	0.041	15%	0.147	C	C	.	.	H	α-helix	trans	-61.7	-43.3	176.9	0	0	0	0	0	111.5	H187 N188 N189 K194 A195 L266	H187-A191 PolarHBondContact O-N 2.89Å; N188-A191 PolarHBondContact O-N 3.48Å; N189-A191 VanDerWaalsContact C-N 3.35Å; N189-A191 PolarHBondContact O-N 3.21Å; A191-K194 PolarHBondContact O-N 3.18Å; A191-A195 PolarHBondContact O-N 3.09Å; A191-L266 HydrophobicContact CB-CD2 3.97Å
192	G	98.3	Very high	96.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-56.3	-55.6	173.7	0	0	0	0	0	113.4	A111 A115 N188 N189 R190 K194 A195 V196	A111-G192 VanDerWaalsContact O-CA 3.22Å; A111-G192 WeakPolarHBondContact O-CA 3.3Å; A115-G192 WeakPolarHBondContact CB-O 3.04Å; N188-G192 PolarHBondContact O-N 3.29Å; N189-G192 PolarHBondContact O-N 3.32Å; R190-G192 VanDerWaalsContact C-N 3.35Å; G192-K194 VanDerWaalsContact C-N 3.29Å; G192-K194 PolarHBondContact O-N 3.38Å; G192-A195 VanDerWaalsContact O-CB 3.28Å; G192-A195 WeakPolarHBondContact O-CB 3.42Å; G192-A195 PolarHBondContact O-N 3.46Å; G192-V196 PolarHBondContact O-N 3.19Å
193	R	98.4	Very high	96.7	Very high	5 Å²	5	39 Å²	39	2%	0.019	18%	0.175	C	C	.	.	H	α-helix	trans	-56.8	-41.2	178.2	-68.2	-171.9	-71.9	-105.4	2.4	113	V118 I163 S166 Q167 D171 N189 A195 V196 K197	V118-R193 HydrophobicContact CG2-CB 4.16Å; V118-R193 HydrophobicContact CG2-CG 3.64Å; I163-R193 HydrophobicContact CG1-CB 4.19Å; I163-R193 HydrophobicContact CG2-CB 4.46Å; S166-R193 WeakPolarHBondContact OG-CD 3.45Å; Q167-R193 VanDerWaalsContact CG-CZ 3.47Å; D171-R193 IonicContact OD1-CZ 2.88Å; D171-R193 IonicContact OD1-NH1 3.51Å; D171-R193 PolarHBondContact OD1-NH1 2.91Å; D171-R193 IonicContact OD1-NH2 3.57Å; D171-R193 PolarHBondContact OD1-NH2 3.3Å; D171-R193 IonicContact OD2-CZ 2.64Å; D171-R193 IonicContact OD2-NH1 3.14Å; D171-R193 PolarHBondContact OD2-NH1 3.33Å; D171-R193 IonicContact OD2-NH2 3.47Å; D171-R193 PolarHBondContact OD2-NH2 2.78Å; N189-R193 WeakPolarHBondContact O-CG 3.47Å; N189-R193 PolarHBondContact O-N 3.33Å; R193-A195 VanDerWaalsContact C-N 3.31Å; R193-A195 PolarHBondContact O-N 3.44Å; R193-V196 PolarHBondContact O-N 3.26Å; R193-K197 PolarHBondContact O-N 2.61Å
194	K	98	Very high	96.8	Very high	79 Å²	79	39.1 Å²	39.1	34%	0.343	18%	0.179	S	C	.	.	H	α-helix	trans	-67.2	-31	176.3	-76.9	-177.2	174.1	-172.5	0	113	R190 A191 G192 V196 K197 R198	R190-K194 HydrophobicContact CG-CD 4.44Å; R190-K194 WeakPolarHBondContact O-CB 3.36Å; R190-K194 WeakPolarHBondContact O-CG 3.22Å; R190-K194 PolarHBondContact O-N 2.93Å; R190-K194 VanDerWaalsContact O-N 3.08Å; A191-K194 PolarHBondContact O-N 3.18Å; G192-K194 VanDerWaalsContact C-N 3.29Å; G192-K194 PolarHBondContact O-N 3.38Å; K194-V196 VanDerWaalsContact C-N 3.32Å; K194-V196 PolarHBondContact O-N 3.02Å; K194-K197 PolarHBondContact O-N 2.85Å; K194-R198 WeakPolarHBondContact O-CB 3.46Å; K194-R198 PolarHBondContact O-N 3.07Å
195	A	98.1	Very high	96.8	Very high	2 Å²	2	45.2 Å²	45.2	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-41.3	177.9	0	0	0	0	0	111.3	A191 G192 R193 R198 F199 T228 L232	A191-A195 PolarHBondContact O-N 3.09Å; G192-A195 VanDerWaalsContact O-CB 3.28Å; G192-A195 WeakPolarHBondContact O-CB 3.42Å; G192-A195 PolarHBondContact O-N 3.46Å; R193-A195 VanDerWaalsContact C-N 3.31Å; R193-A195 PolarHBondContact O-N 3.44Å; A195-R198 WeakPolarHBondContact O-CB 3.34Å; A195-R198 PolarHBondContact O-N 3.37Å; A195-F199 WeakPolarHBondContact O-CD2 3.42Å; A195-F199 PolarHBondContact O-N 3.29Å; A195-T228 HydrophobicContact CB-CG2 3.97Å; A195-L232 HydrophobicContact CB-CD2 3.92Å; A195-L232 HydrophobicContact CB-CG 4.17Å
196	V	98.1	Very high	96.8	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-52.5	174.9	-177.9	0	0	0	0	110.9	A115 V118 V159 G192 R193 K194 R198 F199 M222 T228	A115-V196 HydrophobicContact CB-CG2 3.75Å; A115-V196 WeakPolarHBondContact O-CG2 3.41Å; V118-V196 HydrophobicContact CB-CG2 4.42Å; V118-V196 HydrophobicContact CG1-CB 4.15Å; V118-V196 HydrophobicContact CG1-CG1 3.99Å; V118-V196 HydrophobicContact CG1-CG2 4.42Å; V159-V196 HydrophobicContact CG1-CG1 4.4Å; G192-V196 PolarHBondContact O-N 3.19Å; R193-V196 PolarHBondContact O-N 3.26Å; K194-V196 VanDerWaalsContact C-N 3.32Å; K194-V196 PolarHBondContact O-N 3.02Å; V196-R198 PolarHBondContact O-N 3.18Å; V196-F199 PolarHBondContact O-N 2.94Å; V196-F199 VanDerWaalsContact O-N 3.09Å; V196-M222 HydrophobicContact CG1-CG 4.18Å; V196-M222 HydrophobicContact CG1-SD 3.67Å; V196-T228 HydrophobicContact CG2-CG2 4.11Å
197	K	97.3	Very high	96.6	Very high	100 Å²	100	51 Å²	51	44%	0.435	24%	0.235	S	C	.	.	H	α-helix	trans	-55.3	-36.8	177.8	-173.1	-179.7	-173.6	160.9	0	112.6	V159 E160 I163 R193 K194 F199 M200	V159-K197 HydrophobicContact CG1-CB 4.16Å; E160-K197 WeakPolarHBondContact OE1-CD 3.13Å; E160-K197 WeakPolarHBondContact OE1-CE 3.01Å; E160-K197 IonicContact OE1-NZ 3.34Å; E160-K197 PolarHBondContact OE1-NZ 3.29Å; E160-K197 IonicContact OE2-NZ 3.23Å; E160-K197 PolarHBondContact OE2-NZ 2.79Å; I163-K197 HydrophobicContact CD1-CB 4.1Å; I163-K197 HydrophobicContact CD1-CD 4.31Å; R193-K197 PolarHBondContact O-N 2.61Å; K194-K197 PolarHBondContact O-N 2.85Å; K197-F199 VanDerWaalsContact C-N 3.28Å; K197-F199 PolarHBondContact O-N 3.47Å; K197-M200 WeakPolarHBondContact O-CG 3.27Å; K197-M200 PolarHBondContact O-N 3.38Å
198	R	96.9	Very high	96.3	Very high	148 Å²	148	50.4 Å²	50.4	56%	0.558	24%	0.236	S	C	*	.	H	α-helix	trans	-63.6	-31.9	-179.2	-177	178.9	-176.1	-144.1	-4.4	113	K194 A195 V196 H231	K194-R198 WeakPolarHBondContact O-CB 3.46Å; K194-R198 PolarHBondContact O-N 3.07Å; A195-R198 WeakPolarHBondContact O-CB 3.34Å; A195-R198 PolarHBondContact O-N 3.37Å; V196-R198 PolarHBondContact O-N 3.18Å; R198-H231 PolarHBondContact NH1-CE1 2.9Å; R198-H231 PolarHBondContact NH1-ND1 2.83Å; R198-H231 PolarHBondContact NH1-NE2 2.86Å
199	F	96.8	Very high	96.1	Very high	35 Å²	35	56.3 Å²	56.3	15%	0.154	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	24.5	-178	-59.8	-64.6	0	0	0	113.1	A195 V196 K197 A223 R227 H231	A195-F199 WeakPolarHBondContact O-CD2 3.42Å; A195-F199 PolarHBondContact O-N 3.29Å; V196-F199 PolarHBondContact O-N 2.94Å; V196-F199 VanDerWaalsContact O-N 3.09Å; K197-F199 VanDerWaalsContact C-N 3.28Å; K197-F199 PolarHBondContact O-N 3.47Å; F199-A223 HydrophobicContact CB-CB 4.03Å; F199-A223 VanDerWaalsContact O-CB 3.26Å; F199-A223 WeakPolarHBondContact O-CB 3.49Å; F199-A223 PolarHBondContact O-N 3.01Å; F199-A223 VanDerWaalsContact O-N 3.07Å; F199-R227 HydrophobicContact CG-CB 4.47Å; F199-H231 HydrophobicContact CE2-CB 3.34Å; F199-H231 AromaticContact CE2-CD2 3.6Å; F199-H231 AromaticContact CE2-CG 3.56Å; F199-H231 HydrophobicContact CZ-CB 3.52Å; F199-H231 AromaticContact CZ-CD2 3.86Å; F199-H231 AromaticContact CZ-CG 3.57Å
200	M	96.6	Very high	95.7	Very high	39 Å²	39	62.5 Å²	62.5	19%	0.192	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	136	163.6	-70	-65.3	-78.9	0	0	110	D157 V159 K197 Q220 M222	D157-M200 HydrophobicContact CB-CE 4Å; V159-M200 HydrophobicContact CB-SD 4.43Å; V159-M200 HydrophobicContact CG2-CE 3.84Å; V159-M200 HydrophobicContact CG2-CG 4.33Å; V159-M200 HydrophobicContact CG2-SD 3.48Å; V159-M200 WeakPolarHBondContact CG2-SD 3.48Å; K197-M200 WeakPolarHBondContact O-CG 3.27Å; K197-M200 PolarHBondContact O-N 3.38Å; M200-Q220 HydrophobicContact CE-CB 3.76Å; M200-M222 HydrophobicContact SD-CB 4.08Å; M200-M222 HydrophobicContact SD-CG 3.36Å; M200-M222 WeakPolarHBondContact SD-CG 3.45Å
201	T	95.2	Very high	95.1	Very high	35 Å²	35	59.4 Å²	59.4	22%	0.215	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.8	-177.9	57.9	0	0	0	0	110.4	Q203 A221	T201-Q203 PolarHBondContact O-N 3.01Å; T201-Q203 PolarHBondContact OG1-NE2 3.4Å; T201-A221 PolarHBondContact N-O 3.45Å; T201-A221 PolarHBondContact O-N 3.45Å; T201-A221 PolarHBondContact OG1-O 3.49Å
202	L	95.6	Very high	94.8	Very high	52 Å²	52	61.6 Å²	61.6	27%	0.272	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	111.5	168.8	-171	72.8	0	0	0	108.2	F150 W152 C218	F150-L202 HydrophobicContact CD1-CD2 4.4Å; F150-L202 HydrophobicContact CE1-CD2 3.74Å; F150-L202 HydrophobicContact CE2-CD1 4.06Å; F150-L202 HydrophobicContact CE2-CD2 4.39Å; F150-L202 HydrophobicContact CZ-CD1 3.93Å; F150-L202 HydrophobicContact CZ-CD2 3.73Å; F150-L202 HydrophobicContact CZ-CG 4.49Å; W152-L202 HydrophobicContact CH2-CD1 3.73Å; W152-L202 HydrophobicContact CZ3-CD1 3.57Å; L202-C218 HydrophobicContact CD1-CB 3.65Å; L202-C218 HydrophobicContact CD2-CB 4.31Å; L202-C218 HydrophobicContact CG-CB 3.89Å
203	Q	95.6	Very high	94.5	Very high	90 Å²	90	65.4 Å²	65.4	42%	0.421	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139	172.8	-63.2	-61.6	-29.5	0	0	108.5	T201 C218 W219 A221	T201-Q203 PolarHBondContact O-N 3.01Å; T201-Q203 PolarHBondContact OG1-NE2 3.4Å; Q203-C218 CarbonylContact O-C 3.59Å; Q203-C218 WeakPolarHBondContact O-CA 3.36Å; Q203-C218 VanDerWaalsContact O-CB 3.27Å; Q203-C218 WeakPolarHBondContact O-CB 3.19Å; Q203-W219 HydrophobicContact CB-CD2 4.29Å; Q203-W219 HydrophobicContact CB-CZ2 3.96Å; Q203-W219 PolarHBondContact N-O 3.48Å; Q203-W219 PolarHBondContact O-N 3Å; Q203-A221 HydrophobicContact CG-CB 3.78Å
204	C	95.2	Very high	94.1	Very high	46 Å²	46	69.7 Å²	69.7	31%	0.311	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144	-175.8	-60.3	0	0	0	0	111.2	T217 C218	C204-T217 CarbonylContact C-O 3.52Å; C204-T217 WeakPolarHBondContact CA-O 3.41Å; C204-C218 HydrophobicContact CB-CB 4.05Å; C204-C218 WeakPolarHBondContact CB-SG 3.47Å; C204-C218 WeakPolarHBondContact SG-CB 3.44Å; C204-C218 CovalentContact SG-SG 2.04Å; C204-C218 PolarHBondContact SG-SG 3.29Å
205	K	94.8	Very high	93.8	Very high	129 Å²	129	69.8 Å²	69.8	56%	0.561	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	137.5	163.4	-84.7	167.2	-178.8	-175.4	0	109.4	R216 T217 W219	K205-R216 CarbonylContact O-C 3.57Å; K205-R216 WeakPolarHBondContact O-CA 3.42Å; K205-R216 VanDerWaalsContact O-CB 3.22Å; K205-R216 WeakPolarHBondContact O-CB 3.4Å; K205-T217 PolarHBondContact N-O 3.46Å; K205-T217 PolarHBondContact O-N 3.08Å; K205-W219 HydrophobicContact CB-CH2 4.42Å; K205-W219 HydrophobicContact CB-CZ3 4.23Å; K205-W219 HydrophobicContact CD-CH2 3.69Å; K205-W219 HydrophobicContact CD-CZ3 3.97Å; K205-W219 HydrophobicContact CG-CH2 3.73Å; K205-W219 HydrophobicContact CG-CZ3 4.02Å
206	C	94.5	Very high	93.7	Very high	45 Å²	45	70.4 Å²	70.4	30%	0.304	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	135.6	178.6	-63	0	0	0	0	109.9	C213	C206-C213 HydrophobicContact CB-CB 3.84Å; C206-C213 WeakPolarHBondContact CB-SG 3.49Å; C206-C213 VanDerWaalsContact SG-CA 3.59Å; C206-C213 WeakPolarHBondContact SG-CB 3.38Å; C206-C213 CovalentContact SG-SG 2.03Å; C206-C213 PolarHBondContact SG-SG 3.47Å
207	H	91.8	Very high	93.6	Very high	113 Å²	113	72 Å²	72	52%	0.523	41%	0.412	S	S	.	.			trans	-124.4	7.6	-171.6	-62.1	-68.6	0	0	0	113	V215	H207-V215 HydrophobicContact CB-CG1 4.46Å; H207-V215 PolarHBondContact N-O 3.03Å
208	G	90.3	Very high	93.6	Very high	12 Å²	12	67.3 Å²	67.3	12%	0.124	39%	0.391	C	S	.	.	S	Bend	trans	-73.4	166	178.7	0	0	0	0	0	113.3	S210 G211 S212	G208-S210 PolarHBondContact O-N 3.21Å; G208-G211 PolarHBondContact O-N 2.96Å; G208-S212 WeakPolarHBondContact CA-O 3.45Å; G208-S212 WeakPolarHBondContact CA-OG 3.28Å; G208-S212 PolarHBondContact N-O 3.49Å; G208-S212 PolarHBondContact O-N 2.89Å
209	V	93.4	Very high	93.6	Very high	124 Å²	124	63.1 Å²	63.1	75%	0.752	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-51.7	133.9	178.6	-177	0	0	0	0	110	G211 S212	V209-G211 PolarHBondContact O-N 2.86Å; V209-S212 PolarHBondContact N-OG 2.92Å; V209-S212 WeakPolarHBondContact O-CB 3.15Å; V209-S212 PolarHBondContact O-N 3.26Å; V209-S212 VanDerWaalsContact O-N 3.13Å; V209-S212 PolarHBondContact O-OG 3.21Å
210	S	89.1	Confident	93.7	Very high	129 Å²	129	63.4 Å²	63.4	90%	0.902	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	54.8	30.8	-177	-53.6	0	0	0	0	114.9	G208 S212	G208-S210 PolarHBondContact O-N 3.21Å; S210-S212 VanDerWaalsContact C-N 3.33Å
211	G	85.8	Confident	93.7	Very high	57 Å²	57	62.3 Å²	62.3	59%	0.588	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	79.6	12.7	179.1	0	0	0	0	0	114.4	G208 V209	G208-G211 PolarHBondContact O-N 2.96Å; V209-G211 PolarHBondContact O-N 2.86Å
212	S	91.2	Very high	93.8	Very high	52 Å²	52	61.7 Å²	61.7	36%	0.364	37%	0.369	S	S	.	.			trans	-64	153.6	174	57.5	0	0	0	0	112.2	G208 V209 S210 S214	G208-S212 WeakPolarHBondContact CA-O 3.45Å; G208-S212 WeakPolarHBondContact CA-OG 3.28Å; G208-S212 PolarHBondContact N-O 3.49Å; G208-S212 PolarHBondContact O-N 2.89Å; V209-S212 PolarHBondContact N-OG 2.92Å; V209-S212 WeakPolarHBondContact O-CB 3.15Å; V209-S212 PolarHBondContact O-N 3.26Å; V209-S212 VanDerWaalsContact O-N 3.13Å; V209-S212 PolarHBondContact O-OG 3.21Å; S210-S212 VanDerWaalsContact C-N 3.33Å; S212-S214 VanDerWaalsContact C-N 3.35Å; S212-S214 PolarHBondContact O-N 3.39Å
213	C	91.7	Very high	93.9	Very high	80 Å²	80	59.8 Å²	59.8	54%	0.541	36%	0.361	S	S	.	.	S	Bend	trans	-95.5	27.9	-180	-64.3	0	0	0	0	113.7	C206 V215	C206-C213 HydrophobicContact CB-CB 3.84Å; C206-C213 WeakPolarHBondContact CB-SG 3.49Å; C206-C213 VanDerWaalsContact SG-CA 3.59Å; C206-C213 WeakPolarHBondContact SG-CB 3.38Å; C206-C213 CovalentContact SG-SG 2.03Å; C206-C213 PolarHBondContact SG-SG 3.47Å; C213-V215 VanDerWaalsContact C-N 3.33Å
214	S	90.3	Very high	93.9	Very high	94 Å²	94	60.5 Å²	60.5	66%	0.657	37%	0.368	S	S	*	.	S	Bend	trans	-64.9	-37.9	176.8	53.4	0	0	0	0	112.2	S212	S212-S214 VanDerWaalsContact C-N 3.35Å; S212-S214 PolarHBondContact O-N 3.39Å
215	V	92.5	Very high	94	Very high	82 Å²	82	58.5 Å²	58.5	50%	0.497	35%	0.354	S	S	.	.	S	Bend	trans	-116.6	132.4	166.8	-179	0	0	0	0	107.4	H207 C213	H207-V215 HydrophobicContact CB-CG1 4.46Å; H207-V215 PolarHBondContact N-O 3.03Å; C213-V215 VanDerWaalsContact C-N 3.33Å
216	R	94.9	Very high	94.2	Very high	14 Å²	14	56.7 Å²	56.7	5%	0.053	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	147.2	178.1	62.4	179.6	172.4	151.2	0.1	111.2	D145 G148 S149 F150 D151 K205	D145-R216 VanDerWaalsContact CG-NH2 3.26Å; D145-R216 IonicContact OD1-CZ 3.61Å; D145-R216 IonicContact OD1-NH1 3.46Å; D145-R216 PolarHBondContact OD1-NH1 3.35Å; D145-R216 IonicContact OD1-NH2 3.54Å; D145-R216 PolarHBondContact OD1-NH2 3.43Å; D145-R216 IonicContact OD2-CZ 3.17Å; D145-R216 IonicContact OD2-NH1 3.74Å; D145-R216 PolarHBondContact OD2-NH1 2.93Å; D145-R216 IonicContact OD2-NH2 2.83Å; D145-R216 PolarHBondContact OD2-NH2 3.15Å; G148-R216 VanDerWaalsContact C-NH2 3.3Å; G148-R216 PolarHBondContact O-NH2 3.09Å; S149-R216 PolarHBondContact O-NE 3.03Å; F150-R216 HydrophobicContact CB-CG 3.66Å; D151-R216 PolarHBondContact N-O 2.83Å; D151-R216 VanDerWaalsContact N-O 3.15Å; K205-R216 CarbonylContact O-C 3.57Å; K205-R216 WeakPolarHBondContact O-CA 3.42Å; K205-R216 VanDerWaalsContact O-CB 3.22Å; K205-R216 WeakPolarHBondContact O-CB 3.4Å
217	T	96.1	Very high	94.3	Very high	37 Å²	37	61.2 Å²	61.2	23%	0.227	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.6	177.1	-57.8	0	0	0	0	108.4	D151 C204 K205	D151-T217 CarbonylContact O-C 3.57Å; D151-T217 VanDerWaalsContact O-CA 3.28Å; D151-T217 WeakPolarHBondContact O-CA 3.35Å; C204-T217 CarbonylContact C-O 3.52Å; C204-T217 WeakPolarHBondContact CA-O 3.41Å; K205-T217 PolarHBondContact N-O 3.46Å; K205-T217 PolarHBondContact O-N 3.08Å
218	C	97.6	Very high	94.6	Very high	0 Å²	0	56 Å²	56	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	155.3	-174.9	-50.9	0	0	0	0	112.8	F150 D151 W152 G153 L202 Q203 C204	F150-C218 HydrophobicContact CD2-CB 3.54Å; F150-C218 HydrophobicContact CE2-CB 3.79Å; F150-C218 HydrophobicContact CG-CB 4.17Å; D151-C218 PolarHBondContact O-N 2.84Å; W152-C218 WeakPolarHBondContact CA-O 3.49Å; G153-C218 PolarHBondContact N-O 3.35Å; L202-C218 HydrophobicContact CD1-CB 3.65Å; L202-C218 HydrophobicContact CD2-CB 4.31Å; L202-C218 HydrophobicContact CG-CB 3.89Å; Q203-C218 CarbonylContact O-C 3.59Å; Q203-C218 WeakPolarHBondContact O-CA 3.36Å; Q203-C218 VanDerWaalsContact O-CB 3.27Å; Q203-C218 WeakPolarHBondContact O-CB 3.19Å; C204-C218 HydrophobicContact CB-CB 4.05Å; C204-C218 WeakPolarHBondContact CB-SG 3.47Å; C204-C218 WeakPolarHBondContact SG-CB 3.44Å; C204-C218 CovalentContact SG-SG 2.04Å; C204-C218 PolarHBondContact SG-SG 3.29Å
219	W	97.6	Very high	95	Very high	60 Å²	60	55.4 Å²	55.4	23%	0.227	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.4	172.6	56.6	102.9	0	0	0	110.6	G153 S156 Q203 K205	G153-W219 WeakPolarHBondContact O-CB 3.47Å; S156-W219 WeakPolarHBondContact OG-CA 3.39Å; Q203-W219 HydrophobicContact CB-CD2 4.29Å; Q203-W219 HydrophobicContact CB-CZ2 3.96Å; Q203-W219 PolarHBondContact N-O 3.48Å; Q203-W219 PolarHBondContact O-N 3Å; K205-W219 HydrophobicContact CB-CH2 4.42Å; K205-W219 HydrophobicContact CB-CZ3 4.23Å; K205-W219 HydrophobicContact CD-CH2 3.69Å; K205-W219 HydrophobicContact CD-CZ3 3.97Å; K205-W219 HydrophobicContact CG-CH2 3.73Å; K205-W219 HydrophobicContact CG-CZ3 4.02Å
220	Q	97.4	Very high	95.2	Very high	42 Å²	42	52.1 Å²	52.1	20%	0.196	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	121.2	170.1	-75.2	-66.1	-44.5	0	0	109.5	W152 S156 D157 M200	W152-Q220 HydrophobicContact CH2-CG 3.98Å; W152-Q220 HydrophobicContact CZ3-CG 3.9Å; S156-Q220 CarbonylContact C-O 3.59Å; S156-Q220 VanDerWaalsContact CA-O 3.28Å; S156-Q220 WeakPolarHBondContact CA-O 3.38Å; S156-Q220 PolarHBondContact OG-N 2.97Å; D157-Q220 PolarHBondContact N-O 3.4Å; M200-Q220 HydrophobicContact CE-CB 3.76Å
221	A	97.1	Very high	95.7	Very high	16 Å²	16	46.5 Å²	46.5	13%	0.132	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	140.6	176.7	0	0	0	0	0	110.8	D157 T201 Q203	D157-A221 VanDerWaalsContact OD2-CA 3.32Å; D157-A221 WeakPolarHBondContact OD2-CA 3.27Å; T201-A221 PolarHBondContact N-O 3.45Å; T201-A221 PolarHBondContact O-N 3.45Å; T201-A221 PolarHBondContact OG1-O 3.49Å; Q203-A221 HydrophobicContact CG-CB 3.78Å
222	M	97.3	Very high	96.3	Very high	22 Å²	22	44 Å²	44	11%	0.108	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	138.9	167.2	-66.7	179.7	-66	0	0	109.6	Y119 A122 R123 D157 V159 V196 M200	Y119-M222 HydrophobicContact CD2-CB 4.21Å; Y119-M222 HydrophobicContact CD2-CE 4.01Å; Y119-M222 HydrophobicContact CD2-SD 3.67Å; Y119-M222 HydrophobicContact CE2-CB 4.04Å; Y119-M222 HydrophobicContact CE2-CE 4.28Å; Y119-M222 HydrophobicContact CE2-SD 4.32Å; Y119-M222 HydrophobicContact CG-SD 4.36Å; Y119-M222 WeakPolarHBondContact O-CE 3.4Å; A122-M222 HydrophobicContact CB-CE 3.58Å; A122-M222 HydrophobicContact CB-SD 3.7Å; R123-M222 HydrophobicContact CB-CE 3.92Å; D157-M222 HydrophobicContact CB-CE 4.29Å; D157-M222 HydrophobicContact CB-CG 4.22Å; D157-M222 PolarHBondContact OD2-N 3.27Å; V159-M222 HydrophobicContact CG2-CG 3.63Å; V159-M222 HydrophobicContact CG2-SD 3.7Å; V196-M222 HydrophobicContact CG1-CG 4.18Å; V196-M222 HydrophobicContact CG1-SD 3.67Å; M200-M222 HydrophobicContact SD-CB 4.08Å; M200-M222 HydrophobicContact SD-CG 3.36Å; M200-M222 WeakPolarHBondContact SD-CG 3.45Å
223	A	96.9	Very high	96.6	Very high	11 Å²	11	42.8 Å²	42.8	9%	0.091	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-68.8	162.8	166.4	0	0	0	0	0	111.3	Y119 F199 F225 R227	Y119-A223 WeakPolarHBondContact CE2-O 3.42Å; F199-A223 HydrophobicContact CB-CB 4.03Å; F199-A223 VanDerWaalsContact O-CB 3.26Å; F199-A223 WeakPolarHBondContact O-CB 3.49Å; F199-A223 PolarHBondContact O-N 3.01Å; F199-A223 VanDerWaalsContact O-N 3.07Å; A223-F225 PolarHBondContact O-N 3.5Å; A223-R227 HydrophobicContact CB-CB 4.39Å; A223-R227 HydrophobicContact CB-CG 4.42Å
224	D	96.5	Very high	96.9	Very high	106 Å²	106	45.9 Å²	45.9	57%	0.567	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-47.6	136.8	171.9	-172.9	-77.4	0	0	0	111.8	R226 R227	D224-R226 PolarHBondContact O-N 3.45Å; D224-R226 WeakPolarHBondContact OD1-CB 3.27Å; D224-R226 PolarHBondContact OD1-N 3.14Å; D224-R227 WeakPolarHBondContact O-CB 3.32Å; D224-R227 PolarHBondContact O-N 3.4Å
225	F	97.5	Very high	97.2	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-58.1	-25.8	-174.8	-164.1	-111.9	0	0	0	113.1	W70 E73 I112 A115 Y119 A223 R227 T228 G229	W70-F225 HydrophobicContact CB-CD1 4.3Å; W70-F225 HydrophobicContact CB-CE1 3.44Å; W70-F225 VanDerWaalsContact CB-CE1 3.44Å; W70-F225 HydrophobicContact CB-CZ 3.76Å; E73-F225 HydrophobicContact CB-CD1 3.8Å; E73-F225 HydrophobicContact CB-CE1 3.86Å; E73-F225 HydrophobicContact CG-CD1 3.78Å; E73-F225 HydrophobicContact CG-CE1 3.93Å; I112-F225 HydrophobicContact CD1-CE1 3.61Å; I112-F225 HydrophobicContact CD1-CZ 3.59Å; I112-F225 HydrophobicContact CG1-CE1 4.07Å; I112-F225 HydrophobicContact CG1-CZ 4.12Å; A115-F225 HydrophobicContact CB-CE2 4.31Å; A115-F225 HydrophobicContact CB-CZ 4.42Å; Y119-F225 HydrophobicContact CD1-CB 4.24Å; Y119-F225 AromaticContact CD1-CD2 3.8Å; Y119-F225 HydrophobicContact CD1-CD2 3.8Å; Y119-F225 HydrophobicContact CD1-CG 4.21Å; Y119-F225 HydrophobicContact CD2-CB 4.48Å; Y119-F225 AromaticContact CD2-CD2 3.81Å; Y119-F225 HydrophobicContact CD2-CD2 3.81Å; Y119-F225 HydrophobicContact CE1-CB 3.87Å; Y119-F225 HydrophobicContact CE1-CD2 4.3Å; Y119-F225 HydrophobicContact CE1-CG 4.34Å; Y119-F225 HydrophobicContact CE2-CB 4.14Å; Y119-F225 HydrophobicContact CE2-CD2 4.31Å; Y119-F225 AromaticContact CG-CD2 3.51Å; Y119-F225 HydrophobicContact CG-CD2 3.51Å; Y119-F225 HydrophobicContact CG-CE2 4.12Å; Y119-F225 HydrophobicContact CG-CG 4.33Å; A223-F225 PolarHBondContact O-N 3.5Å; F225-R227 VanDerWaalsContact C-N 3.25Å; F225-R227 PolarHBondContact O-N 2.91Å; F225-T228 HydrophobicContact CE2-CG2 4.19Å; F225-T228 WeakPolarHBondContact O-CA 3.3Å; F225-T228 WeakPolarHBondContact O-CB 3.44Å; F225-T228 PolarHBondContact O-N 3.06Å; F225-G229 PolarHBondContact O-N 3.48Å
226	R	97.9	Very high	97.5	Very high	91 Å²	91	41.7 Å²	41.7	34%	0.343	18%	0.184	S	C	.	.	H	α-helix	trans	-53.3	-39.8	171	179.4	56.5	51.5	66.7	9.4	112.5	E73 H76 D224 T228 G229 D230	E73-R226 VanDerWaalsContact CD-NE 3.27Å; E73-R226 VanDerWaalsContact OE1-CD 3.28Å; E73-R226 WeakPolarHBondContact OE1-CD 3.37Å; E73-R226 IonicContact OE1-NE 2.76Å; E73-R226 PolarHBondContact OE1-NE 3.43Å; E73-R226 IonicContact OE2-CZ 3.82Å; E73-R226 VanDerWaalsContact OE2-CZ 3.32Å; E73-R226 IonicContact OE2-NE 3.57Å; E73-R226 PolarHBondContact OE2-NE 3.33Å; E73-R226 IonicContact OE2-NH2 3.75Å; E73-R226 PolarHBondContact OE2-NH2 3.19Å; H76-R226 PolarHBondContact CD2-NE 2.9Å; H76-R226 VanDerWaalsContact CD2-NE 3.27Å; H76-R226 PolarHBondContact CE1-NH1 3.45Å; H76-R226 VanDerWaalsContact NE2-CZ 3.33Å; H76-R226 PolarHBondContact NE2-NH1 3.07Å; D224-R226 PolarHBondContact O-N 3.45Å; D224-R226 WeakPolarHBondContact OD1-CB 3.27Å; D224-R226 PolarHBondContact OD1-N 3.14Å; R226-T228 VanDerWaalsContact C-N 3.28Å; R226-T228 PolarHBondContact O-N 3.41Å; R226-G229 PolarHBondContact O-N 3.03Å; R226-D230 WeakPolarHBondContact CD-OD1 3.28Å; R226-D230 WeakPolarHBondContact O-CB 3.38Å; R226-D230 PolarHBondContact O-N 3.37Å
227	R	98	Very high	97.5	Very high	140 Å²	140	45.8 Å²	45.8	53%	0.528	21%	0.206	S	C	.	.	H	α-helix	trans	-62.9	-37.8	177.7	-73.8	-160.2	178.4	176.5	-4.3	112	F199 A223 D224 F225 H231	F199-R227 HydrophobicContact CG-CB 4.47Å; A223-R227 HydrophobicContact CB-CB 4.39Å; A223-R227 HydrophobicContact CB-CG 4.42Å; D224-R227 WeakPolarHBondContact O-CB 3.32Å; D224-R227 PolarHBondContact O-N 3.4Å; F225-R227 VanDerWaalsContact C-N 3.25Å; F225-R227 PolarHBondContact O-N 2.91Å; R227-H231 WeakPolarHBondContact O-CB 3.23Å; R227-H231 PolarHBondContact O-N 3.09Å; R227-H231 VanDerWaalsContact O-N 3.09Å
228	T	98.2	Very high	97.4	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-45.9	174.7	-63.6	0	0	0	0	110.4	A115 A195 V196 F225 R226 H231 L232	A115-T228 HydrophobicContact CB-CG2 4.02Å; A195-T228 HydrophobicContact CB-CG2 3.97Å; V196-T228 HydrophobicContact CG2-CG2 4.11Å; F225-T228 HydrophobicContact CE2-CG2 4.19Å; F225-T228 WeakPolarHBondContact O-CA 3.3Å; F225-T228 WeakPolarHBondContact O-CB 3.44Å; F225-T228 PolarHBondContact O-N 3.06Å; R226-T228 VanDerWaalsContact C-N 3.28Å; R226-T228 PolarHBondContact O-N 3.41Å; T228-H231 PolarHBondContact O-N 2.92Å; T228-L232 HydrophobicContact CG2-CD1 4.1Å; T228-L232 HydrophobicContact CG2-CG 4.5Å; T228-L232 WeakPolarHBondContact O-CG 3.46Å; T228-L232 PolarHBondContact O-N 3.2Å
229	G	98.1	Very high	97.3	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-55.9	-51.7	174.7	0	0	0	0	0	112.9	F225 R226 H231 L232 R233	F225-G229 PolarHBondContact O-N 3.48Å; R226-G229 PolarHBondContact O-N 3.03Å; G229-H231 VanDerWaalsContact C-N 3.26Å; G229-H231 PolarHBondContact O-N 3.33Å; G229-L232 PolarHBondContact O-N 3.48Å; G229-R233 WeakPolarHBondContact O-CB 3.46Å; G229-R233 PolarHBondContact O-N 3.41Å
230	D	98.5	Very high	97.2	Very high	55 Å²	55	45.3 Å²	45.3	29%	0.294	22%	0.221	S	C	.	.	H	α-helix	trans	-59.3	-38.9	177.7	-69.1	-20.3	0	0	0	111.7	Q77 R226 R233 R234	Q77-D230 PolarHBondContact NE2-OD1 3.5Å; R226-D230 WeakPolarHBondContact CD-OD1 3.28Å; R226-D230 WeakPolarHBondContact O-CB 3.38Å; R226-D230 PolarHBondContact O-N 3.37Å; D230-R233 PolarHBondContact O-N 3.48Å; D230-R234 WeakPolarHBondContact O-CG 3.17Å; D230-R234 PolarHBondContact O-N 2.92Å; D230-R234 VanDerWaalsContact O-N 3.08Å
231	H	98.4	Very high	97	Very high	12 Å²	12	44.6 Å²	44.6	6%	0.056	22%	0.218	C	C	.	.	H	α-helix	trans	-66.6	-48.7	177.4	-177.5	36.7	0	0	0	112.3	R198 F199 R227 T228 G229 R233 R234 R235	R198-H231 PolarHBondContact NH1-CE1 2.9Å; R198-H231 PolarHBondContact NH1-ND1 2.83Å; R198-H231 PolarHBondContact NH1-NE2 2.86Å; F199-H231 HydrophobicContact CE2-CB 3.34Å; F199-H231 AromaticContact CE2-CD2 3.6Å; F199-H231 AromaticContact CE2-CG 3.56Å; F199-H231 HydrophobicContact CZ-CB 3.52Å; F199-H231 AromaticContact CZ-CD2 3.86Å; F199-H231 AromaticContact CZ-CG 3.57Å; R227-H231 WeakPolarHBondContact O-CB 3.23Å; R227-H231 PolarHBondContact O-N 3.09Å; R227-H231 VanDerWaalsContact O-N 3.09Å; T228-H231 PolarHBondContact O-N 2.92Å; G229-H231 VanDerWaalsContact C-N 3.26Å; G229-H231 PolarHBondContact O-N 3.33Å; H231-R233 PolarHBondContact O-N 3.25Å; H231-R234 PolarHBondContact O-N 3.43Å; H231-R235 PolarHBondContact CE1-NE 3.32Å; H231-R235 VanDerWaalsContact CE1-NE 3.27Å; H231-R235 WeakPolarHBondContact O-CG 3.23Å; H231-R235 PolarHBondContact O-N 2.93Å
232	L	98.4	Very high	96.9	Very high	3 Å²	3	44 Å²	44	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-32.4	177.5	-69.4	177.5	0	0	0	110.9	F108 A111 I112 A115 A195 T228 G229 R235 Y236	F108-L232 HydrophobicContact CD2-CB 4.12Å; F108-L232 HydrophobicContact CE2-CB 3.63Å; F108-L232 HydrophobicContact CZ-CB 4.47Å; A111-L232 HydrophobicContact CB-CD1 4.19Å; A111-L232 HydrophobicContact CB-CD2 4.05Å; I112-L232 HydrophobicContact CB-CD1 4.24Å; I112-L232 HydrophobicContact CD1-CD1 3.78Å; A115-L232 HydrophobicContact CB-CD1 4.24Å; A195-L232 HydrophobicContact CB-CD2 3.92Å; A195-L232 HydrophobicContact CB-CG 4.17Å; T228-L232 HydrophobicContact CG2-CD1 4.1Å; T228-L232 HydrophobicContact CG2-CG 4.5Å; T228-L232 WeakPolarHBondContact O-CG 3.46Å; T228-L232 PolarHBondContact O-N 3.2Å; G229-L232 PolarHBondContact O-N 3.48Å; L232-R235 CarbonylContact O-C 3.6Å; L232-R235 WeakPolarHBondContact O-CB 3.36Å; L232-R235 PolarHBondContact O-N 3.36Å; L232-R235 VanDerWaalsContact O-N 3.14Å; L232-Y236 PolarHBondContact O-N 3.2Å
233	R	97.8	Very high	96.5	Very high	28 Å²	28	45 Å²	45	11%	0.106	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-42.3	175.1	177.2	63.6	-165.5	170.5	9.8	111.6	Q77 H81 F108 G229 D230 H231 R235 Y236 N237	Q77-R233 HydrophobicContact CG-CB 4.38Å; Q77-R233 VanDerWaalsContact OE1-CG 3.3Å; H81-R233 PolarHBondContact CE1-NH2 3.21Å; H81-R233 PolarHBondContact NE2-NH2 3.17Å; F108-R233 HydrophobicContact CE2-CB 4.35Å; G229-R233 WeakPolarHBondContact O-CB 3.46Å; G229-R233 PolarHBondContact O-N 3.41Å; D230-R233 PolarHBondContact O-N 3.48Å; H231-R233 PolarHBondContact O-N 3.25Å; R233-R235 VanDerWaalsContact C-N 3.3Å; R233-R235 PolarHBondContact O-N 2.91Å; R233-Y236 WeakPolarHBondContact O-CB 3.39Å; R233-Y236 PolarHBondContact O-N 2.97Å; R233-N237 PolarHBondContact NH2-OD1 3.43Å; R233-N237 VanDerWaalsContact NH2-OD1 3.12Å; R233-N237 PolarHBondContact O-N 3.31Å; R233-N237 VanDerWaalsContact O-N 3.11Å
234	R	97.8	Very high	96.1	Very high	144 Å²	144	46.8 Å²	46.8	54%	0.543	23%	0.234	S	C	.	.	H	α-helix	trans	-61.3	-38.9	171.4	-71.5	-172.3	-68.5	-87.9	0.3	111.9	D230 H231 N237 G238	D230-R234 WeakPolarHBondContact O-CG 3.17Å; D230-R234 PolarHBondContact O-N 2.92Å; D230-R234 VanDerWaalsContact O-N 3.08Å; H231-R234 PolarHBondContact O-N 3.43Å; R234-N237 PolarHBondContact O-N 2.98Å; R234-G238 PolarHBondContact O-N 3.18Å
235	R	97.7	Very high	95.5	Very high	71 Å²	71	43.5 Å²	43.5	27%	0.268	22%	0.216	S	C	.	.	H	α-helix	trans	-68.9	-32.4	175.7	-64.4	-63.9	-176.3	-167.6	-10.4	113	H231 L232 R233 G238 A239 N264 D265 L266	H231-R235 PolarHBondContact CE1-NE 3.32Å; H231-R235 VanDerWaalsContact CE1-NE 3.27Å; H231-R235 WeakPolarHBondContact O-CG 3.23Å; H231-R235 PolarHBondContact O-N 2.93Å; L232-R235 CarbonylContact O-C 3.6Å; L232-R235 WeakPolarHBondContact O-CB 3.36Å; L232-R235 PolarHBondContact O-N 3.36Å; L232-R235 VanDerWaalsContact O-N 3.14Å; R233-R235 VanDerWaalsContact C-N 3.3Å; R233-R235 PolarHBondContact O-N 2.91Å; R235-G238 CarbonylContact O-C 3.35Å; R235-G238 PolarHBondContact O-N 3.18Å; R235-A239 WeakPolarHBondContact O-CA 3.15Å; R235-A239 PolarHBondContact O-N 3.21Å; R235-N264 WeakPolarHBondContact CD-O 3.4Å; R235-N264 PolarHBondContact NE-O 3.32Å; R235-D265 IonicContact CZ-OD1 3.77Å; R235-D265 IonicContact NH1-OD1 3Å; R235-D265 PolarHBondContact NH1-OD1 3.09Å; R235-L266 HydrophobicContact CB-CD1 4.2Å; R235-L266 HydrophobicContact CB-CG 3.92Å
236	Y	97.2	Very high	94.7	Very high	18 Å²	18	51.2 Å²	51.2	7%	0.071	25%	0.253	C	S	.	.	H	α-helix	trans	-64	-44.8	172.8	164.7	-86.2	0	0	0	111.5	F78 R104 E105 F108 L232 R233 G238 A239	F78-Y236 HydrophobicContact CE1-CD1 4.4Å; F78-Y236 HydrophobicContact CE1-CD2 4.49Å; F78-Y236 AromaticContact CE1-CE1 3.9Å; F78-Y236 HydrophobicContact CE1-CE1 3.9Å; F78-Y236 AromaticContact CE1-CE2 3.95Å; F78-Y236 HydrophobicContact CE1-CE2 3.95Å; F78-Y236 AromaticContact CE1-CZ 3.64Å; F78-Y236 HydrophobicContact CZ-CD1 4.07Å; F78-Y236 AromaticContact CZ-CD2 3.89Å; F78-Y236 HydrophobicContact CZ-CD2 3.89Å; F78-Y236 HydrophobicContact CZ-CE1 4.02Å; F78-Y236 AromaticContact CZ-CE2 3.78Å; F78-Y236 HydrophobicContact CZ-CE2 3.78Å; F78-Y236 HydrophobicContact CZ-CG 4.02Å; F78-Y236 AromaticContact CZ-CZ 3.87Å; R104-Y236 VanDerWaalsContact C-CE2 3.48Å; R104-Y236 HydrophobicContact CB-CD2 4.08Å; R104-Y236 HydrophobicContact CB-CE2 3.56Å; R104-Y236 WeakPolarHBondContact O-CD2 3.48Å; R104-Y236 WeakPolarHBondContact O-CE2 3.31Å; E105-Y236 HydrophobicContact CG-CE2 4.29Å; E105-Y236 PolarHBondContact OE1-OH 3.37Å; F108-Y236 HydrophobicContact CB-CD2 3.87Å; F108-Y236 HydrophobicContact CB-CG 4.49Å; L232-Y236 PolarHBondContact O-N 3.2Å; R233-Y236 WeakPolarHBondContact O-CB 3.39Å; R233-Y236 PolarHBondContact O-N 2.97Å; Y236-G238 PolarHBondContact O-N 3.33Å; Y236-A239 VanDerWaalsContact O-CB 3.27Å; Y236-A239 WeakPolarHBondContact O-CB 3.37Å; Y236-A239 PolarHBondContact O-N 2.03Å; Y236-A239 VanDerWaalsContact O-N 3.12Å
237	N	95.4	Very high	93.9	Very high	99 Å²	99	55 Å²	55	53%	0.529	27%	0.268	S	S	.	.	H	α-helix	trans	-61.6	-32.8	178.5	-67.6	-16.1	0	0	0	112.4	R233 R234	R233-N237 PolarHBondContact NH2-OD1 3.43Å; R233-N237 VanDerWaalsContact NH2-OD1 3.12Å; R233-N237 PolarHBondContact O-N 3.31Å; R233-N237 VanDerWaalsContact O-N 3.11Å; R234-N237 PolarHBondContact O-N 2.98Å
238	G	94.4	Very high	92.9	Very high	48 Å²	48	50.2 Å²	50.2	50%	0.495	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	22.1	176.3	0	0	0	0	0	114.2	R234 R235 Y236	R234-G238 PolarHBondContact O-N 3.18Å; R235-G238 CarbonylContact O-C 3.35Å; R235-G238 PolarHBondContact O-N 3.18Å; Y236-G238 PolarHBondContact O-N 3.33Å
239	A	95.6	Very high	92	Very high	16 Å²	16	55.4 Å²	55.4	13%	0.132	30%	0.295	C	S	.	.			trans	-65.4	144.8	-178.8	0	0	0	0	0	110.9	R104 R235 Y236 L266 Y268	R104-A239 HydrophobicContact CG-CB 4.3Å; R235-A239 WeakPolarHBondContact O-CA 3.15Å; R235-A239 PolarHBondContact O-N 3.21Å; Y236-A239 VanDerWaalsContact O-CB 3.27Å; Y236-A239 WeakPolarHBondContact O-CB 3.37Å; Y236-A239 PolarHBondContact O-N 2.03Å; Y236-A239 VanDerWaalsContact O-N 3.12Å; A239-L266 VanDerWaalsContact CA-O 3.27Å; A239-L266 WeakPolarHBondContact CA-O 3.44Å; A239-L266 HydrophobicContact CB-CB 4.05Å; A239-L266 WeakPolarHBondContact CB-O 3.39Å; A239-Y268 HydrophobicContact CB-CD1 4.07Å; A239-Y268 HydrophobicContact CB-CE1 4.38Å
240	V	94.3	Very high	91.3	Very high	24 Å²	24	56.3 Å²	56.3	15%	0.145	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.9	-174.1	-176.9	0	0	0	0	110.1	V242 P261 L266 V267 Y268	V240-V242 HydrophobicContact CG1-CG1 4.21Å; V240-P261 HydrophobicContact CB-CB 4.31Å; V240-P261 HydrophobicContact CG2-CB 4.47Å; V240-L266 PolarHBondContact N-O 3.43Å; V240-V267 VanDerWaalsContact O-CA 3.31Å; V240-V267 WeakPolarHBondContact O-CA 3.33Å; V240-Y268 WeakPolarHBondContact O-CD1 3.14Å; V240-Y268 PolarHBondContact O-N 2.04Å; V240-Y268 VanDerWaalsContact O-N 3.09Å
241	Q	94.6	Very high	90.7	Very high	27 Å²	27	55.6 Å²	55.6	13%	0.126	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	130.2	169.8	-161.5	169.1	4.4	0	0	109.8	A254 Y268 L269	Q241-A254 HydrophobicContact CB-CB 4.01Å; Q241-A254 HydrophobicContact CG-CB 3.87Å; Q241-A254 WeakPolarHBondContact O-CB 3.04Å; Q241-A254 PolarHBondContact O-N 3.09Å; Q241-Y268 CarbonylContact C-O 3.49Å; Q241-Y268 WeakPolarHBondContact CA-O 3.03Å; Q241-Y268 HydrophobicContact CB-CD1 4.41Å; Q241-Y268 HydrophobicContact CB-CD2 4.31Å; Q241-Y268 HydrophobicContact CB-CE1 3.83Å; Q241-Y268 HydrophobicContact CB-CE2 3.7Å; Q241-Y268 VanDerWaalsContact CB-CZ 3.45Å; Q241-Y268 HydrophobicContact CG-CD2 3.99Å; Q241-Y268 HydrophobicContact CG-CE2 3.56Å; Q241-Y268 VanDerWaalsContact N-CE1 3.26Å; Q241-L269 PolarHBondContact NE2-O 3.32Å
242	V	93.6	Very high	90.1	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.024	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	152.6	-174.5	-61.5	0	0	0	0	111.9	V240 F251 T252 P261 V267 Y268 L269	V240-V242 HydrophobicContact CG1-CG1 4.21Å; V242-F251 HydrophobicContact CB-CB 3.94Å; V242-F251 HydrophobicContact CB-CD1 4.01Å; V242-F251 HydrophobicContact CB-CG 4.11Å; V242-F251 HydrophobicContact CG1-CB 4.04Å; V242-F251 HydrophobicContact CG1-CG 4.37Å; V242-F251 HydrophobicContact CG2-CB 4.3Å; V242-F251 HydrophobicContact CG2-CD1 3.49Å; V242-F251 VanDerWaalsContact CG2-CD1 3.49Å; V242-F251 HydrophobicContact CG2-CE1 3.96Å; V242-F251 HydrophobicContact CG2-CG 3.9Å; V242-T252 CarbonylContact C-O 3.36Å; V242-T252 VanDerWaalsContact CA-O 3.28Å; V242-T252 WeakPolarHBondContact CA-O 3Å; V242-T252 WeakPolarHBondContact CB-O 3.48Å; V242-P261 HydrophobicContact CG1-CG 3.87Å; V242-V267 HydrophobicContact CG1-CB 3.96Å; V242-V267 HydrophobicContact CG1-CG1 3.9Å; V242-V267 HydrophobicContact CG2-CB 3.88Å; V242-V267 HydrophobicContact CG2-CG2 4.24Å; V242-Y268 PolarHBondContact N-O 2.86Å; V242-L269 HydrophobicContact CG2-CD2 3.97Å; V242-L269 WeakPolarHBondContact O-CD2 3.41Å
243	A	90.7	Very high	89.4	Confident	43 Å²	43	58.7 Å²	58.7	36%	0.355	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	157.1	161.9	0	0	0	0	0	108.9	F251 T252	A243-F251 CarbonylContact O-C 3.22Å; A243-F251 WeakPolarHBondContact O-CA 3.48Å; A243-T252 PolarHBondContact N-O 2.66Å; A243-T252 PolarHBondContact O-N 3.23Å; A243-T252 PolarHBondContact O-OG1 3.41Å
244	V	87	Confident	88.6	Confident	47 Å²	47	59.5 Å²	59.5	29%	0.285	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	139.2	173.4	-178.2	0	0	0	0	109	A180 L183 F251	A180-V244 HydrophobicContact CB-CB 4.48Å; A180-V244 HydrophobicContact CB-CG2 3.29Å; L183-V244 HydrophobicContact CD1-CG1 4.03Å; L183-V244 HydrophobicContact CD1-CG2 4.37Å; V244-F251 HydrophobicContact CG2-CE1 4.42Å
245	N	85	Confident	87.8	Confident	37 Å²	37	57.1 Å²	57.1	20%	0.198	33%	0.328	C	S	.	.			trans	-65.8	159.7	175.5	69.2	-1.6	0	0	0	111.4	Y247 G248 T249 G250 T252	N245-Y247 PolarHBondContact O-N 3.35Å; N245-G248 PolarHBondContact O-N 3.11Å; N245-G248 PolarHBondContact OD1-N 2.83Å; N245-T249 PolarHBondContact ND2-OG1 3.15Å; N245-T249 VanDerWaalsContact ND2-OG1 3.08Å; N245-T249 PolarHBondContact OD1-N 2.93Å; N245-G250 PolarHBondContact N-O 3.05Å; N245-G250 PolarHBondContact ND2-N 3.48Å; N245-G250 PolarHBondContact OD1-N 3.06Å; N245-G250 VanDerWaalsContact OD1-N 3.11Å; N245-G250 PolarHBondContact OD1-O 2.92Å; N245-T252 HydrophobicContact CB-CG2 4.16Å
246	Q	79.9	Confident	86.5	Confident	167 Å²	167	60.3 Å²	60.3	78%	0.78	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-24	179.4	66.7	-168.1	10.4	0	0	114.4
247	Y	80.4	Confident	85.5	Confident	169 Å²	169	67.9 Å²	67.9	66%	0.663	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-6.4	179.6	-57.2	-70.7	0	0	0	113.7	N245 T249	N245-Y247 PolarHBondContact O-N 3.35Å; Y247-T249 PolarHBondContact O-N 3.14Å
248	G	77.5	Confident	84.5	Confident	41 Å²	41	68.7 Å²	68.7	42%	0.423	39%	0.39	S	S	.	.	S	Bend	trans	66.4	14.3	-176.9	0	0	0	0	0	114.8	L183 N245	L183-G248 WeakPolarHBondContact CD1-O 3.41Å; N245-G248 PolarHBondContact O-N 3.11Å; N245-G248 PolarHBondContact OD1-N 2.83Å
249	T	78.8	Confident	83.8	Confident	111 Å²	111	75.4 Å²	75.4	68%	0.681	41%	0.406	S	S	*	.	S	Bend	trans	-103.2	-12.4	-173.2	53.9	0	0	0	0	113.8	N245 Y247	N245-T249 PolarHBondContact ND2-OG1 3.15Å; N245-T249 VanDerWaalsContact ND2-OG1 3.08Å; N245-T249 PolarHBondContact OD1-N 2.93Å; Y247-T249 PolarHBondContact O-N 3.14Å
250	G	83.3	Confident	83.3	Confident	19 Å²	19	84.7 Å²	84.7	20%	0.196	44%	0.437	C	S	.	.	S	Bend	trans	-171	-167.1	-175.5	0	0	0	0	0	113.5	N245	N245-G250 PolarHBondContact N-O 3.05Å; N245-G250 PolarHBondContact ND2-N 3.48Å; N245-G250 PolarHBondContact OD1-N 3.06Å; N245-G250 VanDerWaalsContact OD1-N 3.11Å; N245-G250 PolarHBondContact OD1-O 2.92Å
251	F	87	Confident	83	Confident	40 Å²	40	84.8 Å²	84.8	18%	0.175	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	144.4	-173.6	-59.5	-60.4	0	0	0	112.7	L183 M184 H187 V242 A243 V244 P261 V267	L183-F251 HydrophobicContact CB-CE1 4.05Å; L183-F251 HydrophobicContact CB-CZ 3.79Å; M184-F251 HydrophobicContact CB-CZ 4.44Å; H187-F251 HydrophobicContact CB-CE2 3.82Å; H187-F251 HydrophobicContact CB-CZ 4.4Å; V242-F251 HydrophobicContact CB-CB 3.94Å; V242-F251 HydrophobicContact CB-CD1 4.01Å; V242-F251 HydrophobicContact CB-CG 4.11Å; V242-F251 HydrophobicContact CG1-CB 4.04Å; V242-F251 HydrophobicContact CG1-CG 4.37Å; V242-F251 HydrophobicContact CG2-CB 4.3Å; V242-F251 HydrophobicContact CG2-CD1 3.49Å; V242-F251 VanDerWaalsContact CG2-CD1 3.49Å; V242-F251 HydrophobicContact CG2-CE1 3.96Å; V242-F251 HydrophobicContact CG2-CG 3.9Å; A243-F251 CarbonylContact O-C 3.22Å; A243-F251 WeakPolarHBondContact O-CA 3.48Å; V244-F251 HydrophobicContact CG2-CE1 4.42Å; F251-P261 HydrophobicContact CB-CG 4.36Å; F251-V267 HydrophobicContact CD2-CG2 4.44Å; F251-V267 HydrophobicContact CE2-CG2 4.03Å; F251-V267 HydrophobicContact CZ-CG2 4.23Å
252	T	85.3	Confident	82.9	Confident	56 Å²	56	85.9 Å²	85.9	34%	0.344	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	150.4	159.4	50.8	0	0	0	0	108.7	V242 A243 N245 A254	V242-T252 CarbonylContact C-O 3.36Å; V242-T252 VanDerWaalsContact CA-O 3.28Å; V242-T252 WeakPolarHBondContact CA-O 3Å; V242-T252 WeakPolarHBondContact CB-O 3.48Å; A243-T252 PolarHBondContact N-O 2.66Å; A243-T252 PolarHBondContact O-N 3.23Å; A243-T252 PolarHBondContact O-OG1 3.41Å; N245-T252 HydrophobicContact CB-CG2 4.16Å; T252-A254 PolarHBondContact O-N 3.38Å
253	A	84.2	Confident	82.8	Confident	24 Å²	24	92.4 Å²	92.4	20%	0.198	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	135.5	172.3	0	0	0	0	0	108.9	H255 F258	A253-H255 PolarHBondContact O-N 3.4Å; A253-F258 HydrophobicContact CB-CB 4.08Å
254	A	81.8	Confident	82.8	Confident	44 Å²	44	93.9 Å²	93.9	36%	0.364	48%	0.479	S	S	.	.	S	Bend	trans	-65	-29.4	-179.2	0	0	0	0	0	112.1	Q241 T252	Q241-A254 HydrophobicContact CB-CB 4.01Å; Q241-A254 HydrophobicContact CG-CB 3.87Å; Q241-A254 WeakPolarHBondContact O-CB 3.04Å; Q241-A254 PolarHBondContact O-N 3.09Å; T252-A254 PolarHBondContact O-N 3.38Å
255	H	80.7	Confident	83.2	Confident	95 Å²	95	93.1 Å²	93.1	44%	0.44	47%	0.473	S	S	.	.	S	Bend	trans	-118.3	139.8	174.2	-54.7	-88.6	0	0	0	111.1	A253 H257 F258	A253-H255 PolarHBondContact O-N 3.4Å; H255-H257 PolarHBondContact O-N 2.74Å; H255-F258 HydrophobicContact CB-CD2 3.55Å; H255-F258 HydrophobicContact CB-CE2 3.8Å; H255-F258 HydrophobicContact CB-CG 4.41Å; H255-F258 AromaticContact CD2-CD2 3.73Å; H255-F258 AromaticContact CD2-CE2 3.4Å; H255-F258 VanDerWaalsContact CD2-CE2 3.4Å; H255-F258 WeakPolarHBondContact CD2-CE2 3.49Å; H255-F258 AromaticContact CG-CD2 3.99Å; H255-F258 AromaticContact CG-CE2 3.82Å; H255-F258 PolarHBondContact O-N 3.2Å
256	T	70.4	Confident	83.8	Confident	137 Å²	137	91.4 Å²	91.4	84%	0.84	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-28	-176.1	47.6	0	0	0	0	113.9
257	H	75	Confident	84.6	Confident	178 Å²	178	83.4 Å²	83.4	82%	0.824	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-9.5	178.7	-59.3	-65.2	0	0	0	114	H255	H255-H257 PolarHBondContact O-N 2.74Å
258	F	76.1	Confident	85.3	Confident	115 Å²	115	76.4 Å²	76.4	50%	0.504	40%	0.4	S	S	.	.	S	Bend	trans	-86.7	139.3	178	-68.4	-43.4	0	0	0	111.9	A253 H255	A253-F258 HydrophobicContact CB-CB 4.08Å; H255-F258 HydrophobicContact CB-CD2 3.55Å; H255-F258 HydrophobicContact CB-CE2 3.8Å; H255-F258 HydrophobicContact CB-CG 4.41Å; H255-F258 AromaticContact CD2-CD2 3.73Å; H255-F258 AromaticContact CD2-CE2 3.4Å; H255-F258 VanDerWaalsContact CD2-CE2 3.4Å; H255-F258 WeakPolarHBondContact CD2-CE2 3.49Å; H255-F258 AromaticContact CG-CD2 3.99Å; H255-F258 AromaticContact CG-CE2 3.82Å; H255-F258 PolarHBondContact O-N 3.2Å
259	K	78.7	Confident	86	Confident	189 Å²	189	76.2 Å²	76.2	82%	0.822	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-64.5	143.9	173.3	-66.5	-175.2	-179.3	-179.2	0	109.5
260	R	84.9	Confident	86.7	Confident	211 Å²	211	75.1 Å²	75.1	80%	0.796	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-56.9	135.4	171.1	-74.5	-177.1	176.8	160.8	-0.4	109.6
261	P	89.3	Confident	87.1	Confident	26 Å²	26	79 Å²	79	17%	0.169	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-66	138.1	-177.8	28.8	-36.7	0	0	0	110.9	V240 V242 F251 V267	V240-P261 HydrophobicContact CB-CB 4.31Å; V240-P261 HydrophobicContact CG2-CB 4.47Å; V242-P261 HydrophobicContact CG1-CG 3.87Å; F251-P261 HydrophobicContact CB-CG 4.36Å; P261-V267 HydrophobicContact CB-CG1 3.51Å; P261-V267 HydrophobicContact CG-CG1 3.91Å
262	S	91.5	Very high	87.3	Confident	51 Å²	51	78.6 Å²	78.6	36%	0.357	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-80.3	167.7	171.2	81.3	0	0	0	0	111.2	H187 N264 D265	H187-S262 PolarHBondContact CE1-O 3.13Å; H187-S262 VanDerWaalsContact CE1-O 3.29Å; S262-N264 PolarHBondContact O-N 3.42Å; S262-N264 PolarHBondContact OG-N 3.21Å; S262-D265 WeakPolarHBondContact CA-OD2 3.3Å; S262-D265 WeakPolarHBondContact CB-OD2 3.41Å; S262-D265 PolarHBondContact N-OD2 2.8Å; S262-D265 PolarHBondContact O-N 3.02Å; S262-D265 PolarHBondContact OG-N 2.81Å; S262-D265 PolarHBondContact OG-OD2 3.28Å
263	K	90.8	Very high	87.6	Confident	141 Å²	141	76.7 Å²	76.7	61%	0.613	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-7.7	175.2	-62.4	-178.9	-177.7	175.3	0	114.2
264	N	92.4	Very high	87.9	Confident	74 Å²	74	79.6 Å²	79.6	40%	0.396	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-1.6	-178.1	-61.1	-21.9	0	0	0	112.5	R235 S262	R235-N264 WeakPolarHBondContact CD-O 3.4Å; R235-N264 PolarHBondContact NE-O 3.32Å; S262-N264 PolarHBondContact O-N 3.42Å; S262-N264 PolarHBondContact OG-N 3.21Å
265	D	95.1	Very high	88.4	Confident	30 Å²	30	78.4 Å²	78.4	16%	0.16	38%	0.381	C	S	.	.	S	Bend	trans	-88.8	153.4	175.4	-59.8	-42.2	0	0	0	110.2	H187 R235 S262	H187-D265 PolarHBondContact CD2-O 2.03Å; H187-D265 PolarHBondContact NE2-O 3.49Å; R235-D265 IonicContact CZ-OD1 3.77Å; R235-D265 IonicContact NH1-OD1 3Å; R235-D265 PolarHBondContact NH1-OD1 3.09Å; S262-D265 WeakPolarHBondContact CA-OD2 3.3Å; S262-D265 WeakPolarHBondContact CB-OD2 3.41Å; S262-D265 PolarHBondContact N-OD2 2.8Å; S262-D265 PolarHBondContact O-N 3.02Å; S262-D265 PolarHBondContact OG-N 2.81Å; S262-D265 PolarHBondContact OG-OD2 3.28Å
266	L	97.4	Very high	89	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.005	36%	0.363	C	S	.	.			trans	-85.2	142.5	169.3	-61.8	-175.5	0	0	0	109.3	A107 F108 A111 N188 A191 R235 A239 V240	A107-L266 HydrophobicContact CB-CB 4.41Å; F108-L266 HydrophobicContact CB-CD1 4.37Å; F108-L266 HydrophobicContact CD2-CD1 4.4Å; A111-L266 HydrophobicContact CB-CD1 4.43Å; A111-L266 HydrophobicContact CB-CD2 3.6Å; N188-L266 HydrophobicContact CB-CD2 4.29Å; N188-L266 WeakPolarHBondContact OD1-CA 3.45Å; A191-L266 HydrophobicContact CB-CD2 3.97Å; R235-L266 HydrophobicContact CB-CD1 4.2Å; R235-L266 HydrophobicContact CB-CG 3.92Å; A239-L266 VanDerWaalsContact CA-O 3.27Å; A239-L266 WeakPolarHBondContact CA-O 3.44Å; A239-L266 HydrophobicContact CB-CB 4.05Å; A239-L266 WeakPolarHBondContact CB-O 3.39Å; V240-L266 PolarHBondContact N-O 3.43Å
267	V	96.1	Very high	89.9	Confident	0 Å²	0	71 Å²	71	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.6	180	-58.6	0	0	0	0	110.6	A107 M184 H187 N188 V240 V242 F251 P261	A107-V267 VanDerWaalsContact CB-O 3.25Å; A107-V267 WeakPolarHBondContact CB-O 3.38Å; M184-V267 HydrophobicContact CG-CG2 4.05Å; M184-V267 WeakPolarHBondContact CG-O 3.32Å; H187-V267 HydrophobicContact CB-CG2 4.23Å; N188-V267 PolarHBondContact ND2-O 2.92Å; N188-V267 PolarHBondContact OD1-N 2.83Å; V240-V267 VanDerWaalsContact O-CA 3.31Å; V240-V267 WeakPolarHBondContact O-CA 3.33Å; V242-V267 HydrophobicContact CG1-CB 3.96Å; V242-V267 HydrophobicContact CG1-CG1 3.9Å; V242-V267 HydrophobicContact CG2-CB 3.88Å; V242-V267 HydrophobicContact CG2-CG2 4.24Å; F251-V267 HydrophobicContact CD2-CG2 4.44Å; F251-V267 HydrophobicContact CE2-CG2 4.03Å; F251-V267 HydrophobicContact CZ-CG2 4.23Å; P261-V267 HydrophobicContact CB-CG1 3.51Å; P261-V267 HydrophobicContact CG-CG1 3.91Å
268	Y	95.2	Very high	90.5	Very high	21 Å²	21	70.8 Å²	70.8	8%	0.082	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	158.1	178.7	72.5	-83.6	0	0	0	110.5	G102 R104 A239 V240 Q241 V242 E270	G102-Y268 WeakPolarHBondContact O-CB 3.06Å; R104-Y268 HydrophobicContact CG-CD1 3.28Å; R104-Y268 HydrophobicContact CG-CD2 3.85Å; R104-Y268 HydrophobicContact CG-CE1 3.4Å; R104-Y268 VanDerWaalsContact CG-CE1 3.4Å; R104-Y268 HydrophobicContact CG-CE2 3.98Å; R104-Y268 HydrophobicContact CG-CG 3.49Å; R104-Y268 VanDerWaalsContact CG-CG 3.49Å; A239-Y268 HydrophobicContact CB-CD1 4.07Å; A239-Y268 HydrophobicContact CB-CE1 4.38Å; V240-Y268 WeakPolarHBondContact O-CD1 3.14Å; V240-Y268 PolarHBondContact O-N 2.04Å; V240-Y268 VanDerWaalsContact O-N 3.09Å; Q241-Y268 CarbonylContact C-O 3.49Å; Q241-Y268 WeakPolarHBondContact CA-O 3.03Å; Q241-Y268 HydrophobicContact CB-CD1 4.41Å; Q241-Y268 HydrophobicContact CB-CD2 4.31Å; Q241-Y268 HydrophobicContact CB-CE1 3.83Å; Q241-Y268 HydrophobicContact CB-CE2 3.7Å; Q241-Y268 VanDerWaalsContact CB-CZ 3.45Å; Q241-Y268 HydrophobicContact CG-CD2 3.99Å; Q241-Y268 HydrophobicContact CG-CE2 3.56Å; Q241-Y268 VanDerWaalsContact N-CE1 3.26Å; V242-Y268 PolarHBondContact N-O 2.86Å; Y268-E270 VanDerWaalsContact CD2-O 3.23Å; Y268-E270 WeakPolarHBondContact CD2-O 3.32Å
269	L	93.3	Very high	90.9	Very high	37 Å²	37	67.9 Å²	67.9	19%	0.194	32%	0.321	C	S	.	.	S	Bend	trans	-102.9	-39.7	-175	-63.3	169.6	0	0	0	111.7	G102 A180 R181 M184 Q241 V242	G102-L269 PolarHBondContact O-N 2.88Å; A180-L269 HydrophobicContact CB-CD1 3.96Å; A180-L269 HydrophobicContact CB-CD2 4.38Å; R181-L269 HydrophobicContact CB-CD1 4.45Å; M184-L269 HydrophobicContact CB-CD1 4.15Å; M184-L269 HydrophobicContact CB-CG 4.27Å; M184-L269 HydrophobicContact CG-CG 4.33Å; M184-L269 HydrophobicContact SD-CB 4.4Å; M184-L269 HydrophobicContact SD-CD1 3.99Å; M184-L269 HydrophobicContact SD-CG 3.76Å; Q241-L269 PolarHBondContact NE2-O 3.32Å; V242-L269 HydrophobicContact CG2-CD2 3.97Å; V242-L269 WeakPolarHBondContact O-CD2 3.41Å
270	E	91.8	Very high	90.9	Very high	89 Å²	89	63.6 Å²	63.6	42%	0.416	31%	0.313	S	S	.	.	S	Bend	trans	-126.5	150.8	-168.1	-62.8	175	133	0	0	111.4	R101 G102 S103 Y268	R101-E270 WeakPolarHBondContact CA-OE2 3.31Å; R101-E270 VanDerWaalsContact CB-OE2 3.31Å; R101-E270 WeakPolarHBondContact CB-OE2 3.44Å; G102-E270 PolarHBondContact N-OE2 2.67Å; G102-E270 PolarHBondContact O-N 3.19Å; S103-E270 WeakPolarHBondContact CA-O 3.22Å; Y268-E270 VanDerWaalsContact CD2-O 3.23Å; Y268-E270 WeakPolarHBondContact CD2-O 3.32Å
271	D	92.4	Very high	90.5	Very high	100 Å²	100	60.9 Å²	60.9	54%	0.535	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-63.2	144.4	174.9	-68.6	-45.6	0	0	0	112.1
272	S	91.9	Very high	89.8	Confident	31 Å²	31	60.2 Å²	60.2	22%	0.217	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-62.3	139.2	176.1	-57.8	0	0	0	0	110.1	E105	E105-S272 VanDerWaalsContact CD-OG 3.31Å; E105-S272 PolarHBondContact OE1-OG 2.88Å; E105-S272 WeakPolarHBondContact OE2-CB 3.14Å; E105-S272 PolarHBondContact OE2-OG 2.83Å
273	P	90.1	Very high	89	Confident	16 Å²	16	58.4 Å²	58.4	10%	0.104	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-66.7	169.1	175.7	32.3	-37.7	0	0	0	111.4	Y275	P273-Y275 HydrophobicContact CG-CD1 4.28Å; P273-Y275 HydrophobicContact CG-CE1 3.67Å; P273-Y275 HydrophobicContact CG-CE2 4.22Å; P273-Y275 PolarHBondContact O-N 2.84Å; P273-Y275 VanDerWaalsContact O-N 3.08Å
274	D	90.9	Very high	88.8	Confident	86 Å²	86	51.7 Å²	51.7	46%	0.46	27%	0.265	S	S	.	.			trans	-73.8	101.6	171.1	-175.3	10.4	0	0	0	111.2	C276	D274-C276 PolarHBondContact O-N 3.11Å; D274-C276 WeakPolarHBondContact OD1-CB 3.27Å; D274-C276 PolarHBondContact OD1-N 3.38Å; D274-C276 PolarHBondContact OD1-SG 2.86Å
275	Y	92.1	Very high	88.4	Confident	18 Å²	18	52.2 Å²	52.2	7%	0.071	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-3.6	177.5	-66.7	-63.4	0	0	0	114.6	W83 E105 P273 S284 G286	W83-Y275 HydrophobicContact CB-CD1 3.92Å; W83-Y275 HydrophobicContact CB-CD2 3.8Å; W83-Y275 HydrophobicContact CB-CE1 3.98Å; W83-Y275 HydrophobicContact CB-CE2 3.83Å; W83-Y275 HydrophobicContact CB-CG 3.83Å; W83-Y275 AromaticContact CD1-CD1 3.98Å; W83-Y275 AromaticContact CD1-CE1 3.48Å; W83-Y275 VanDerWaalsContact CD1-CE1 3.48Å; W83-Y275 AromaticContact CD1-CZ 3.82Å; W83-Y275 HydrophobicContact CG-CD1 4.33Å; W83-Y275 AromaticContact CG-CE1 3.98Å; W83-Y275 HydrophobicContact CG-CE1 3.98Å; W83-Y275 HydrophobicContact CG-CE2 4.33Å; W83-Y275 AromaticContact CG-CZ 3.97Å; E105-Y275 HydrophobicContact CG-CE2 3.99Å; E105-Y275 PolarHBondContact OE2-OH 2.99Å; P273-Y275 HydrophobicContact CG-CD1 4.28Å; P273-Y275 HydrophobicContact CG-CE1 3.67Å; P273-Y275 HydrophobicContact CG-CE2 4.22Å; P273-Y275 PolarHBondContact O-N 2.84Å; P273-Y275 VanDerWaalsContact O-N 3.08Å; Y275-S284 WeakPolarHBondContact CA-OG 3.05Å; Y275-G286 CarbonylContact O-C 3.15Å; Y275-G286 WeakPolarHBondContact O-CA 3.09Å
276	C	93	Very high	88.2	Confident	9 Å²	9	51.4 Å²	51.4	6%	0.061	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-37.5	175.6	-66.1	0	0	0	0	112.5	R82 D274 G286 T287 C307 R309	R82-C276 VanDerWaalsContact CZ-SG 3.59Å; R82-C276 PolarHBondContact NH1-SG 3.18Å; R82-C276 VanDerWaalsContact NH1-SG 3.41Å; D274-C276 PolarHBondContact O-N 3.11Å; D274-C276 WeakPolarHBondContact OD1-CB 3.27Å; D274-C276 PolarHBondContact OD1-N 3.38Å; D274-C276 PolarHBondContact OD1-SG 2.86Å; C276-G286 WeakPolarHBondContact O-CA 3.36Å; C276-T287 PolarHBondContact O-N 2.02Å; C276-T287 VanDerWaalsContact O-N 3.13Å; C276-C307 HydrophobicContact CB-CB 3.63Å; C276-C307 WeakPolarHBondContact CB-SG 3.31Å; C276-C307 WeakPolarHBondContact SG-CB 3.43Å; C276-C307 CovalentContact SG-SG 2.01Å; C276-C307 PolarHBondContact SG-SG 3.46Å; C276-R309 PolarHBondContact O-NH1 3.3Å
277	I	90.4	Very high	88.1	Confident	68 Å²	68	51.3 Å²	51.3	35%	0.349	27%	0.265	S	S	.	.	S	Bend	trans	-101.5	140.5	-173.1	-53.6	179.1	0	0	0	108.8	D279 S284	I277-D279 PolarHBondContact O-N 2.95Å; I277-S284 VanDerWaalsContact O-CB 3.31Å; I277-S284 WeakPolarHBondContact O-CB 3.48Å; I277-S284 PolarHBondContact O-OG 2.94Å
278	R	88.1	Confident	88	Confident	174 Å²	174	53.8 Å²	53.8	66%	0.657	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	115.8	173.7	-176.6	172.9	179.4	-120.9	-1	109
279	D	83.8	Confident	87.9	Confident	53 Å²	53	55.6 Å²	55.6	28%	0.283	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	101.4	176.2	171	20.6	0	0	0	109.1	I277 Q281 S282 G283 S284	I277-D279 PolarHBondContact O-N 2.95Å; D279-Q281 PolarHBondContact O-N 2.59Å; D279-Q281 WeakPolarHBondContact OD1-CB 3.09Å; D279-Q281 PolarHBondContact OD1-N 3.08Å; D279-S282 WeakPolarHBondContact CB-OG 3.32Å; D279-S282 VanDerWaalsContact CG-OG 3.23Å; D279-S282 PolarHBondContact O-N 2.98Å; D279-S282 PolarHBondContact O-OG 3.32Å; D279-S282 WeakPolarHBondContact OD2-CB 3.44Å; D279-S282 PolarHBondContact OD2-N 3Å; D279-S282 PolarHBondContact OD2-OG 3.45Å; D279-G283 PolarHBondContact O-N 2.83Å; D279-G283 VanDerWaalsContact O-N 3.15Å; D279-S284 CarbonylContact C-O 3.53Å; D279-S284 PolarHBondContact N-O 3.21Å; D279-S284 PolarHBondContact O-N 3.41Å
280	P	79.1	Confident	87.9	Confident	99 Å²	99	55.6 Å²	55.6	64%	0.643	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-28.5	178	-24.2	34.7	0	0	0	113.9	G283	P280-G283 PolarHBondContact O-N 3.22Å
281	Q	75.9	Confident	88.1	Confident	155 Å²	155	56.4 Å²	56.4	72%	0.724	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-41.6	-177.3	-64.1	-172.1	-12.4	0	0	111.6	L100 D279 G283	L100-Q281 WeakPolarHBondContact CD1-O 3.4Å; D279-Q281 PolarHBondContact O-N 2.59Å; D279-Q281 WeakPolarHBondContact OD1-CB 3.09Å; D279-Q281 PolarHBondContact OD1-N 3.08Å; Q281-G283 PolarHBondContact O-N 2.81Å
282	S	74.5	Confident	88.2	Confident	11 Å²	11	52.4 Å²	52.4	8%	0.077	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-4.8	172.7	64.4	0	0	0	0	113.9	D279 S284	D279-S282 WeakPolarHBondContact CB-OG 3.32Å; D279-S282 VanDerWaalsContact CG-OG 3.23Å; D279-S282 PolarHBondContact O-N 2.98Å; D279-S282 PolarHBondContact O-OG 3.32Å; D279-S282 WeakPolarHBondContact OD2-CB 3.44Å; D279-S282 PolarHBondContact OD2-N 3Å; D279-S282 PolarHBondContact OD2-OG 3.45Å; S282-S284 VanDerWaalsContact C-N 3.3Å
283	G	75.7	Confident	88.4	Confident	13 Å²	13	52.9 Å²	52.9	13%	0.134	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	22.9	-174.8	0	0	0	0	0	113.1	T87 D279 P280 Q281	T87-G283 WeakPolarHBondContact CG2-O 3.28Å; D279-G283 PolarHBondContact O-N 2.83Å; D279-G283 VanDerWaalsContact O-N 3.15Å; P280-G283 PolarHBondContact O-N 3.22Å; Q281-G283 PolarHBondContact O-N 2.81Å
284	S	84.7	Confident	88.6	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.007	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.4	173.1	179.9	0	0	0	0	111	Y275 I277 D279 S282 G286	Y275-S284 WeakPolarHBondContact CA-OG 3.05Å; I277-S284 VanDerWaalsContact O-CB 3.31Å; I277-S284 WeakPolarHBondContact O-CB 3.48Å; I277-S284 PolarHBondContact O-OG 2.94Å; D279-S284 CarbonylContact C-O 3.53Å; D279-S284 PolarHBondContact N-O 3.21Å; D279-S284 PolarHBondContact O-N 3.41Å; S282-S284 VanDerWaalsContact C-N 3.3Å; S284-G286 VanDerWaalsContact C-N 3.34Å; S284-G286 PolarHBondContact OG-N 3.33Å
285	M	85.9	Confident	88.7	Confident	85 Å²	85	60 Å²	60	42%	0.419	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-8.5	173.8	-65.6	-61.7	-66.3	0	0	113	T87	T87-M285 HydrophobicContact CG2-CG 3.59Å; T87-M285 HydrophobicContact CG2-SD 4.14Å
286	G	90.4	Very high	88.9	Confident	12 Å²	12	60.8 Å²	60.8	12%	0.124	34%	0.344	C	S	.	.			trans	73	172.4	-170.1	0	0	0	0	0	113.3	Y275 C276 S284	Y275-G286 CarbonylContact O-C 3.15Å; Y275-G286 WeakPolarHBondContact O-CA 3.09Å; C276-G286 WeakPolarHBondContact O-CA 3.36Å; S284-G286 VanDerWaalsContact C-N 3.34Å; S284-G286 PolarHBondContact OG-N 3.33Å
287	T	94.3	Very high	88.8	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.384	C	S	.	.	S	Bend	trans	-109.4	2.1	179.4	59.8	0	0	0	0	114.6	R82 C276 R290 M305 R309 C346	R82-T287 HydrophobicContact CB-CG2 3.83Å; R82-T287 HydrophobicContact CG-CG2 3.94Å; C276-T287 PolarHBondContact O-N 2.02Å; C276-T287 VanDerWaalsContact O-N 3.13Å; T287-R290 VanDerWaalsContact O-CB 3.27Å; T287-R290 WeakPolarHBondContact O-CB 3.08Å; T287-R290 WeakPolarHBondContact O-CG 3.34Å; T287-R290 PolarHBondContact O-N 3.25Å; T287-M305 WeakPolarHBondContact CB-O 3.37Å; T287-M305 WeakPolarHBondContact CG2-O 3.42Å; T287-M305 HydrophobicContact CG2-SD 4.18Å; T287-M305 PolarHBondContact OG1-O 3.11Å; T287-R309 PolarHBondContact OG1-NH1 3.03Å; T287-R309 PolarHBondContact OG1-NH2 3.28Å; T287-C346 VanDerWaalsContact O-CB 3.22Å; T287-C346 WeakPolarHBondContact O-CB 3.42Å
288	A	94	Very high	88.9	Confident	52 Å²	52	70 Å²	70	43%	0.43	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	138.3	174.7	0	0	0	0	0	111	R290	A288-R290 PolarHBondContact O-N 3.08Å
289	G	93.2	Very high	89.2	Confident	58 Å²	58	63.4 Å²	63.4	60%	0.598	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	4.2	-178.1	0	0	0	0	0	114.7	T345 C346	G289-T345 VanDerWaalsContact CA-CG2 3.47Å; G289-T345 WeakPolarHBondContact O-CG2 3.24Å; G289-C346 PolarHBondContact N-O 2.63Å
290	R	94.1	Very high	89.7	Confident	37 Å²	37	63 Å²	63	14%	0.14	36%	0.362	C	S	.	.			trans	-84.9	141.2	178	-68.8	-165.9	61.4	-176.8	-7.1	112.4	R79 H81 R82 T287 A288 M305 T345 C346	R79-R290 PolarHBondContact O-NH2 3.47Å; H81-R290 VanDerWaalsContact O-CZ 3.23Å; H81-R290 PolarHBondContact O-NH1 3.12Å; H81-R290 PolarHBondContact O-NH2 3.3Å; R82-R290 PolarHBondContact O-NH1 2.96Å; T287-R290 VanDerWaalsContact O-CB 3.27Å; T287-R290 WeakPolarHBondContact O-CB 3.08Å; T287-R290 WeakPolarHBondContact O-CG 3.34Å; T287-R290 PolarHBondContact O-N 3.25Å; A288-R290 PolarHBondContact O-N 3.08Å; R290-M305 HydrophobicContact CB-CG 4.39Å; R290-M305 PolarHBondContact NH1-SD 3.32Å; R290-M305 VanDerWaalsContact NH1-SD 3.4Å; R290-T345 CarbonylContact O-C 3.5Å; R290-T345 WeakPolarHBondContact O-CA 3.23Å; R290-C346 PolarHBondContact O-N 3.39Å
291	L	94.6	Very high	90.6	Very high	106 Å²	106	58.3 Å²	58.3	56%	0.555	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	142.4	169.6	-65.8	173.3	0	0	0	111.1	E343 F344	L291-E343 HydrophobicContact CD2-CB 4.41Å; L291-E343 HydrophobicContact CD2-CG 4.43Å; L291-F344 WeakPolarHBondContact CA-O 3.34Å
292	C	95.9	Very high	91.5	Very high	16 Å²	16	51.1 Å²	51.1	11%	0.108	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	162.7	174.2	67.1	0	0	0	0	111.4	D300 C302 M305 C306 F344	C292-D300 WeakPolarHBondContact CA-O 3.42Å; C292-C302 VanDerWaalsContact C-SG 3.52Å; C292-C302 HydrophobicContact CB-CB 3.83Å; C292-C302 WeakPolarHBondContact CB-SG 3.01Å; C292-C302 WeakPolarHBondContact SG-CA 3.03Å; C292-C302 WeakPolarHBondContact SG-CB 3.03Å; C292-C302 CovalentContact SG-SG 2.04Å; C292-C302 PolarHBondContact SG-SG 3.23Å; C292-M305 HydrophobicContact CB-CB 4.03Å; C292-M305 HydrophobicContact CB-CG 4.23Å; C292-C306 VanDerWaalsContact SG-SG 3.62Å; C292-F344 PolarHBondContact N-O 3.34Å
293	S	95.7	Very high	92.5	Very high	42 Å²	42	58.2 Å²	58.2	29%	0.294	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-105.9	120.1	176.1	177.7	0	0	0	0	110.3	A295 S296 D300 G301 C302	S293-A295 VanDerWaalsContact C-N 3.27Å; S293-A295 PolarHBondContact O-N 3.35Å; S293-S296 PolarHBondContact O-N 3.43Å; S293-S296 PolarHBondContact OG-N 3.48Å; S293-D300 PolarHBondContact N-O 3.35Å; S293-G301 VanDerWaalsContact O-CA 3.31Å; S293-G301 WeakPolarHBondContact O-CA 3.3Å; S293-C302 VanDerWaalsContact C-SG 3.53Å; S293-C302 PolarHBondContact O-N 2.93Å; S293-C302 VanDerWaalsContact O-N 3.09Å
294	R	94.7	Very high	93.4	Very high	153 Å²	153	60.1 Å²	60.1	58%	0.577	34%	0.339	S	S	*	.	S	Bend	trans	-66.1	-31.3	175.8	-172.5	176.9	72.2	-175.7	-0.7	112.5	Y311 F344	R294-Y311 VanDerWaalsContact CD-OH 3.28Å; R294-Y311 WeakPolarHBondContact CD-OH 3.35Å; R294-Y311 WeakPolarHBondContact CG-OH 3.33Å; R294-F344 HydrophobicContact CB-CD2 4.02Å; R294-F344 HydrophobicContact CB-CE1 4.4Å; R294-F344 HydrophobicContact CB-CE2 3.82Å; R294-F344 HydrophobicContact CB-CG 4.41Å; R294-F344 HydrophobicContact CB-CZ 4.02Å
295	A	93.3	Very high	93.9	Very high	99 Å²	99	60.1 Å²	60.1	82%	0.818	34%	0.339	S	S	*	.	S	Bend	trans	-81.5	-20.4	-178.1	0	0	0	0	0	113.3	S293	S293-A295 VanDerWaalsContact C-N 3.27Å; S293-A295 PolarHBondContact O-N 3.35Å
296	S	94.9	Very high	94.4	Very high	33 Å²	33	56 Å²	56	23%	0.231	32%	0.319	C	S	.	.			trans	-82.2	135.3	-179.9	-175.4	0	0	0	0	111.3	S293 G298 D300 G301	S293-S296 PolarHBondContact O-N 3.43Å; S293-S296 PolarHBondContact OG-N 3.48Å; S296-G298 PolarHBondContact OG-N 3.2Å; S296-D300 WeakPolarHBondContact CB-OD1 3.4Å; S296-D300 PolarHBondContact OG-OD1 2.9Å; S296-G301 WeakPolarHBondContact O-CA 3.39Å
297	R	91.9	Very high	94.6	Very high	238 Å²	238	57.3 Å²	57.3	90%	0.898	33%	0.325	S	S	*	.			trans	-95.5	1.5	166	-62.6	-176.3	178.1	176	-0.7	112.6
298	G	92.8	Very high	94.5	Very high	33 Å²	33	60.7 Å²	60.7	34%	0.34	36%	0.36	S	S	.	.	S	Bend	trans	-82.7	-164.4	-179.7	0	0	0	0	0	112.9	S296 D300 G301	S296-G298 PolarHBondContact OG-N 3.2Å; G298-D300 PolarHBondContact O-N 3.31Å; G298-G301 PolarHBondContact O-N 3.37Å
299	S	93.8	Very high	94.5	Very high	35 Å²	35	60.6 Å²	60.6	25%	0.245	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.2	-179.5	64.3	0	0	0	0	113.3	N80 H81 G301 M305	N80-S299 CarbonylContact O-C 3.58Å; N80-S299 WeakPolarHBondContact O-CB 3.03Å; N80-S299 PolarHBondContact O-OG 2.88Å; H81-S299 PolarHBondContact CE1-OG 3.35Å; S299-G301 VanDerWaalsContact C-N 3.29Å; S299-M305 WeakPolarHBondContact O-CE 3.19Å
300	D	94.9	Very high	94.6	Very high	44 Å²	44	59.2 Å²	59.2	24%	0.235	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-7.7	173.4	61.4	-35.9	0	0	0	113.7	N80 C292 S293 S296 G298	N80-D300 HydrophobicContact CB-CB 3.88Å; N80-D300 PolarHBondContact O-N 3.47Å; C292-D300 WeakPolarHBondContact CA-O 3.42Å; S293-D300 PolarHBondContact N-O 3.35Å; S296-D300 WeakPolarHBondContact CB-OD1 3.4Å; S296-D300 PolarHBondContact OG-OD1 2.9Å; G298-D300 PolarHBondContact O-N 3.31Å
301	G	96.7	Very high	94.7	Very high	1 Å²	1	61 Å²	61	1%	0.01	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-61.1	141.1	176.8	0	0	0	0	0	112.2	S293 S296 G298 S299 E303 V304 M305	S293-G301 VanDerWaalsContact O-CA 3.31Å; S293-G301 WeakPolarHBondContact O-CA 3.3Å; S296-G301 WeakPolarHBondContact O-CA 3.39Å; G298-G301 PolarHBondContact O-N 3.37Å; S299-G301 VanDerWaalsContact C-N 3.29Å; G301-E303 VanDerWaalsContact C-N 3.26Å; G301-E303 PolarHBondContact O-N 3.47Å; G301-V304 PolarHBondContact O-N 2.96Å; G301-V304 VanDerWaalsContact O-N 3.11Å; G301-M305 VanDerWaalsContact O-CB 3.3Å; G301-M305 WeakPolarHBondContact O-CB 3.48Å; G301-M305 PolarHBondContact O-N 2.9Å
302	C	96.2	Very high	94.7	Very high	4 Å²	4	60.1 Å²	60.1	3%	0.027	34%	0.338	C	S	.	.	H	α-helix	trans	-60.4	-33.8	-178.8	-67.1	0	0	0	0	113.6	C292 S293 V304 C306 Y311	C292-C302 VanDerWaalsContact C-SG 3.52Å; C292-C302 HydrophobicContact CB-CB 3.83Å; C292-C302 WeakPolarHBondContact CB-SG 3.01Å; C292-C302 WeakPolarHBondContact SG-CA 3.03Å; C292-C302 WeakPolarHBondContact SG-CB 3.03Å; C292-C302 CovalentContact SG-SG 2.04Å; C292-C302 PolarHBondContact SG-SG 3.23Å; S293-C302 VanDerWaalsContact C-SG 3.53Å; S293-C302 PolarHBondContact O-N 2.93Å; S293-C302 VanDerWaalsContact O-N 3.09Å; C302-V304 VanDerWaalsContact C-N 3.35Å; C302-V304 PolarHBondContact O-N 2.02Å; C302-C306 WeakPolarHBondContact O-CB 3.18Å; C302-C306 PolarHBondContact O-N 3.21Å; C302-C306 PolarHBondContact O-SG 3.21Å; C302-Y311 HydrophobicContact CB-CD1 3.42Å; C302-Y311 VanDerWaalsContact CB-CD1 3.42Å; C302-Y311 HydrophobicContact CB-CE1 3.55Å; C302-Y311 HydrophobicContact CB-CG 4.11Å
303	E	94.3	Very high	94.7	Very high	161 Å²	161	63.3 Å²	63.3	75%	0.752	36%	0.357	S	S	*	.	H	α-helix	trans	-60.9	-44.2	174.8	-65.3	177.6	-179.6	0	0	111.8	G301 C307 G308	G301-E303 VanDerWaalsContact C-N 3.26Å; G301-E303 PolarHBondContact O-N 3.47Å; E303-C307 PolarHBondContact O-N 3.49Å; E303-G308 PolarHBondContact O-N 3.06Å
304	V	95.1	Very high	94.7	Very high	52 Å²	52	63.6 Å²	63.6	32%	0.315	36%	0.362	S	S	.	.	H	α-helix	trans	-80.3	-47.7	-177.4	-178.2	0	0	0	0	111.4	R82 G301 C302 C307	R82-V304 VanDerWaalsContact CZ-O 3.22Å; R82-V304 PolarHBondContact NE-O 2.94Å; R82-V304 PolarHBondContact NH2-O 3.17Å; G301-V304 PolarHBondContact O-N 2.96Å; G301-V304 VanDerWaalsContact O-N 3.11Å; C302-V304 VanDerWaalsContact C-N 3.35Å; C302-V304 PolarHBondContact O-N 2.02Å; V304-C307 PolarHBondContact O-N 2.89Å
305	M	95.8	Very high	94.6	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-66.7	-41.6	-176.7	-172.1	57.7	46.2	0	0	111.9	N80 R82 T287 R290 C292 S299 G301 C307	N80-M305 WeakPolarHBondContact O-CE 3.39Å; R82-M305 HydrophobicContact CG-SD 4.4Å; T287-M305 WeakPolarHBondContact CB-O 3.37Å; T287-M305 WeakPolarHBondContact CG2-O 3.42Å; T287-M305 HydrophobicContact CG2-SD 4.18Å; T287-M305 PolarHBondContact OG1-O 3.11Å; R290-M305 HydrophobicContact CB-CG 4.39Å; R290-M305 PolarHBondContact NH1-SD 3.32Å; R290-M305 VanDerWaalsContact NH1-SD 3.4Å; C292-M305 HydrophobicContact CB-CB 4.03Å; C292-M305 HydrophobicContact CB-CG 4.23Å; S299-M305 WeakPolarHBondContact O-CE 3.19Å; G301-M305 VanDerWaalsContact O-CB 3.3Å; G301-M305 WeakPolarHBondContact O-CB 3.48Å; G301-M305 PolarHBondContact O-N 2.9Å; M305-C307 VanDerWaalsContact C-N 3.33Å
306	C	96.2	Very high	94.7	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-1.3	-177.3	-47.6	0	0	0	0	113.4	C292 C302 G308 R309 G310 C346	C292-C306 VanDerWaalsContact SG-SG 3.62Å; C302-C306 WeakPolarHBondContact O-CB 3.18Å; C302-C306 PolarHBondContact O-N 3.21Å; C302-C306 PolarHBondContact O-SG 3.21Å; C306-G308 VanDerWaalsContact C-N 3.27Å; C306-G308 PolarHBondContact O-N 2.68Å; C306-R309 WeakPolarHBondContact O-CB 3.45Å; C306-R309 WeakPolarHBondContact O-CG 3.46Å; C306-R309 PolarHBondContact O-N 3.26Å; C306-G310 WeakPolarHBondContact CB-O 3.4Å; C306-C346 WeakPolarHBondContact CA-SG 3.27Å; C306-C346 HydrophobicContact CB-CB 3.61Å; C306-C346 WeakPolarHBondContact CB-SG 3.02Å; C306-C346 PolarHBondContact N-SG 3.45Å; C306-C346 VanDerWaalsContact N-SG 3.42Å; C306-C346 WeakPolarHBondContact SG-CA 3.38Å; C306-C346 WeakPolarHBondContact SG-CB 3.09Å; C306-C346 CovalentContact SG-SG 2.04Å; C306-C346 PolarHBondContact SG-SG 3.41Å
307	C	95.1	Very high	94.6	Very high	38 Å²	38	63.3 Å²	63.3	26%	0.257	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	40.9	172.9	-46.4	0	0	0	0	113.1	R82 C276 E303 V304 M305 R309	R82-C307 PolarHBondContact NE-SG 3.27Å; C276-C307 HydrophobicContact CB-CB 3.63Å; C276-C307 WeakPolarHBondContact CB-SG 3.31Å; C276-C307 WeakPolarHBondContact SG-CB 3.43Å; C276-C307 CovalentContact SG-SG 2.01Å; C276-C307 PolarHBondContact SG-SG 3.46Å; E303-C307 PolarHBondContact O-N 3.49Å; V304-C307 PolarHBondContact O-N 2.89Å; M305-C307 VanDerWaalsContact C-N 3.33Å; C307-R309 VanDerWaalsContact C-N 3.25Å; C307-R309 PolarHBondContact O-N 2.9Å
308	G	92.3	Very high	94.7	Very high	71 Å²	71	59.2 Å²	59.2	73%	0.732	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	-4.4	-179.5	0	0	0	0	0	116.2	E303 C306 G310	E303-G308 PolarHBondContact O-N 3.06Å; C306-G308 VanDerWaalsContact C-N 3.27Å; C306-G308 PolarHBondContact O-N 2.68Å; G308-G310 PolarHBondContact O-N 3.43Å; G308-G310 VanDerWaalsContact O-N 3.16Å
309	R	93.8	Very high	94.8	Very high	51 Å²	51	61.4 Å²	61.4	19%	0.192	34%	0.34	C	S	.	.	S	Bend	trans	-71.3	-6.4	179.4	-58.4	-169	-57.4	-86.7	-3.2	114.6	C276 T287 C306 C307 K347 Q349	C276-R309 PolarHBondContact O-NH1 3.3Å; T287-R309 PolarHBondContact OG1-NH1 3.03Å; T287-R309 PolarHBondContact OG1-NH2 3.28Å; C306-R309 WeakPolarHBondContact O-CB 3.45Å; C306-R309 WeakPolarHBondContact O-CG 3.46Å; C306-R309 PolarHBondContact O-N 3.26Å; C307-R309 VanDerWaalsContact C-N 3.25Å; C307-R309 PolarHBondContact O-N 2.9Å; R309-K347 PolarHBondContact NE-O 3.44Å; R309-K347 PolarHBondContact NH2-O 2.96Å; R309-Q349 VanDerWaalsContact CD-CG 3.5Å
310	G	94.1	Very high	94.8	Very high	29 Å²	29	61.9 Å²	61.9	30%	0.299	34%	0.342	S	S	.	.			trans	75.2	-176.6	-169.1	0	0	0	0	0	113.1	C306 G308 K347	C306-G310 WeakPolarHBondContact CB-O 3.4Å; G308-G310 PolarHBondContact O-N 3.43Å; G308-G310 VanDerWaalsContact O-N 3.16Å; G310-K347 PolarHBondContact O-N 3.24Å
311	Y	96.1	Very high	94.8	Very high	74 Å²	74	66.1 Å²	66.1	29%	0.29	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	151.1	-175.1	50.9	-89	0	0	0	110.5	R294 C302 F344 T345	R294-Y311 VanDerWaalsContact CD-OH 3.28Å; R294-Y311 WeakPolarHBondContact CD-OH 3.35Å; R294-Y311 WeakPolarHBondContact CG-OH 3.33Å; C302-Y311 HydrophobicContact CB-CD1 3.42Å; C302-Y311 VanDerWaalsContact CB-CD1 3.42Å; C302-Y311 HydrophobicContact CB-CE1 3.55Å; C302-Y311 HydrophobicContact CB-CG 4.11Å; Y311-F344 HydrophobicContact CD2-CB 3.87Å; Y311-F344 AromaticContact CD2-CD1 3.62Å; Y311-F344 HydrophobicContact CD2-CD1 3.62Å; Y311-F344 HydrophobicContact CD2-CG 4.12Å; Y311-F344 HydrophobicContact CE2-CB 4.42Å; Y311-F344 AromaticContact CE2-CD1 3.5Å; Y311-F344 HydrophobicContact CE2-CD1 3.5Å; Y311-F344 HydrophobicContact CE2-CE1 4.11Å; Y311-F344 HydrophobicContact CE2-CG 4.2Å; Y311-F344 HydrophobicContact CG-CB 4.43Å; Y311-T345 CarbonylContact C-O 3.47Å; Y311-T345 WeakPolarHBondContact CA-O 3.38Å; Y311-T345 WeakPolarHBondContact CB-O 3.45Å
312	D	95.5	Very high	94.7	Very high	88 Å²	88	67.2 Å²	67.2	47%	0.471	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	147.6	169.2	-63.7	-47.7	0	0	0	109.7	F344 T345 K347	D312-F344 VanDerWaalsContact O-CA 3.31Å; D312-F344 WeakPolarHBondContact O-CA 3.33Å; D312-T345 PolarHBondContact N-O 3.3Å; D312-T345 PolarHBondContact O-N 2.82Å; D312-K347 WeakPolarHBondContact OD1-CE 3.43Å; D312-K347 IonicContact OD1-NZ 3.24Å
313	T	95.7	Very high	94.7	Very high	82 Å²	82	72.6 Å²	72.6	50%	0.503	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.7	176.6	-54.6	0	0	0	0	108.7	D342 E343 F344	T313-D342 HydrophobicContact CG2-CB 4.28Å; T313-E343 WeakPolarHBondContact CA-O 3.41Å; T313-F344 HydrophobicContact CG2-CD1 3.94Å; T313-F344 HydrophobicContact CG2-CE1 3.6Å; T313-F344 HydrophobicContact CG2-CZ 4.5Å; T313-F344 WeakPolarHBondContact OG1-CD1 3.3Å
314	A	94.7	Very high	94.8	Very high	48 Å²	48	68.1 Å²	68.1	40%	0.397	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.8	175.1	0	0	0	0	0	109.4	V316 E343	A314-V316 HydrophobicContact CB-CG1 4.35Å; A314-E343 PolarHBondContact N-O 3.38Å; A314-E343 PolarHBondContact O-N 2.81Å
315	R	94.4	Very high	94.8	Very high	175 Å²	175	72.2 Å²	72.2	66%	0.66	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	114	172.3	-175	166	-70.8	166.5	-0.7	108.8	L340 D342	R315-L340 HydrophobicContact CG-CB 4.21Å; R315-L340 HydrophobicContact CG-CD2 4.37Å; R315-D342 IonicContact CZ-OD1 2.66Å; R315-D342 IonicContact NE-OD1 3.28Å; R315-D342 PolarHBondContact NE-OD1 2.56Å; R315-D342 IonicContact NH2-OD1 2.8Å; R315-D342 PolarHBondContact NH2-OD1 2.8Å; R315-D342 IonicContact NH2-OD2 3.53Å
316	V	93.8	Very high	94.8	Very high	42 Å²	42	78.6 Å²	78.6	26%	0.255	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144.2	-176.9	-59	0	0	0	0	110.7	A314 L340 V341 E343	A314-V316 HydrophobicContact CB-CG1 4.35Å; V316-L340 WeakPolarHBondContact O-CA 3.41Å; V316-V341 HydrophobicContact CG2-CG2 3.74Å; V316-V341 PolarHBondContact N-O 2.86Å; V316-V341 PolarHBondContact O-N 3.07Å; V316-E343 HydrophobicContact CG2-CB 4.21Å; V316-E343 VanDerWaalsContact CG2-CD 3.41Å; V316-E343 HydrophobicContact CG2-CG 3.61Å
317	S	94.5	Very high	94.7	Very high	63 Å²	63	82.6 Å²	82.6	44%	0.441	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	114.6	170.6	-173.2	0	0	0	0	109	Q338	S317-Q338 PolarHBondContact OG-OE1 3.3Å
318	R	93.1	Very high	94.2	Very high	152 Å²	152	92.5 Å²	92.5	57%	0.574	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	121.1	178	-173	176.8	-175.4	-179.7	2.7	109.6	T320 Q339 V341	R318-T320 HydrophobicContact CG-CG2 4.3Å; R318-Q339 PolarHBondContact N-O 2.96Å; R318-Q339 PolarHBondContact O-N 3.2Å; R318-V341 HydrophobicContact CB-CG2 3.83Å
319	T	94.8	Very high	93.9	Very high	79 Å²	79	93.9 Å²	93.9	49%	0.485	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	126.1	172.6	-51.6	0	0	0	0	109.8	D336 C337	T319-D336 HydrophobicContact CG2-CB 3.72Å; T319-C337 CarbonylContact C-O 3.45Å; T319-C337 WeakPolarHBondContact CA-O 3.39Å
320	T	94.4	Very high	93.7	Very high	45 Å²	45	97.2 Å²	97.2	28%	0.276	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	151.5	175.9	59.5	0	0	0	0	110	R318 C322 C337	R318-T320 HydrophobicContact CG-CG2 4.3Å; T320-C322 PolarHBondContact O-N 3.48Å; T320-C337 PolarHBondContact N-O 3.26Å; T320-C337 PolarHBondContact O-N 3.28Å
321	K	95.1	Very high	93.7	Very high	133 Å²	133	97.5 Å²	97.5	58%	0.578	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	122.9	171.7	-64.3	-60.6	-177.4	-173	0	108.7	C334 R335 D336	K321-C334 HydrophobicContact CB-CB 3.94Å; K321-C334 HydrophobicContact CD-CB 4.07Å; K321-C334 HydrophobicContact CG-CB 4.41Å; K321-R335 WeakPolarHBondContact CA-O 3.45Å; K321-D336 VanDerWaalsContact CD-OD1 3.26Å; K321-D336 WeakPolarHBondContact CD-OD1 3.35Å; K321-D336 WeakPolarHBondContact CE-OD1 3.47Å; K321-D336 IonicContact NZ-OD1 3.49Å; K321-D336 PolarHBondContact NZ-OD1 2.89Å; K321-D336 IonicContact NZ-OD2 3.41Å; K321-D336 PolarHBondContact NZ-OD2 2.83Å
322	C	94.8	Very high	93.6	Very high	24 Å²	24	98.2 Å²	98.2	16%	0.162	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	168.7	-177.4	62.9	0	0	0	0	110.1	T320 C324 R335 C337	T320-C322 PolarHBondContact O-N 3.48Å; C322-C324 PolarHBondContact O-N 3.24Å; C322-R335 PolarHBondContact N-O 2.94Å; C322-R335 PolarHBondContact O-N 2.88Å; C322-R335 PolarHBondContact SG-O 3.19Å; C322-R335 VanDerWaalsContact SG-O 3.34Å; C322-C337 HydrophobicContact CB-CB 3.64Å; C322-C337 WeakPolarHBondContact CB-SG 3.24Å; C322-C337 WeakPolarHBondContact SG-CB 3.48Å; C322-C337 PolarHBondContact SG-N 3.37Å; C322-C337 CovalentContact SG-SG 2Å; C322-C337 PolarHBondContact SG-SG 3.04Å
323	E	95.1	Very high	93.7	Very high	116 Å²	116	99.3 Å²	99.3	54%	0.542	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.5	37.9	175	-58.2	-175.9	179.3	0	0	113.5	K325 R335	E323-K325 PolarHBondContact O-N 2.72Å; E323-R335 WeakPolarHBondContact OE2-CD 3.28Å; E323-R335 IonicContact OE2-CZ 3.68Å; E323-R335 IonicContact OE2-NE 2.81Å; E323-R335 IonicContact OE2-NH1 2.9Å; E323-R335 PolarHBondContact OE2-NH1 2.68Å
324	C	96.1	Very high	93.7	Very high	67 Å²	67	97.6 Å²	97.6	45%	0.453	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	121.3	-178	-64.4	0	0	0	0	111	C322 V332 H333 C334	C322-C324 PolarHBondContact O-N 3.24Å; C324-V332 HydrophobicContact CB-CG1 3.88Å; C324-H333 WeakPolarHBondContact CA-O 2.88Å; C324-C334 HydrophobicContact CB-CB 4.08Å; C324-C334 WeakPolarHBondContact CB-SG 3.43Å; C324-C334 WeakPolarHBondContact SG-CB 3.44Å; C324-C334 CovalentContact SG-SG 2.03Å; C324-C334 PolarHBondContact SG-SG 3.06Å
325	K	95.4	Very high	93.8	Very high	139 Å²	139	103.2 Å²	103.2	60%	0.604	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	132	175.1	-64.5	-176.1	-177.8	-177.5	0	109.8	E323 H327 V332 H333	E323-K325 PolarHBondContact O-N 2.72Å; K325-H327 PolarHBondContact O-CD2 3.3Å; K325-V332 WeakPolarHBondContact O-CA 3.31Å; K325-H333 PolarHBondContact N-O 2.89Å; K325-H333 PolarHBondContact O-N 2.83Å
326	F	95.6	Very high	93.9	Very high	134 Å²	134	99.7 Å²	99.7	59%	0.588	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.8	169.8	-179.2	-102.5	0	0	0	109	V332	F326-V332 HydrophobicContact CD2-CG2 3.91Å
327	H	93.4	Very high	94	Very high	85 Å²	85	99.8 Å²	99.8	39%	0.394	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	127.3	171.9	-73.2	-113.3	0	0	0	107.9	K325 C329 C330 S331 H333	K325-H327 PolarHBondContact O-CD2 3.3Å; H327-C329 PolarHBondContact O-N 3.43Å; H327-C330 PolarHBondContact O-N 2.63Å; H327-S331 PolarHBondContact N-O 3.03Å; H327-H333 AromaticContact CD2-CD2 3.4Å; H327-H333 PolarHBondContact CD2-CD2 2.77Å; H327-H333 AromaticContact CG-CD2 3.73Å; H327-H333 AromaticContact NE2-CD2 3.7Å
328	W	86.3	Confident	94.1	Very high	246 Å²	246	104 Å²	104	93%	0.932	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	74.5	179	-160.4	92.9	0	0	0	109.6
329	C	84.4	Confident	94.2	Very high	99 Å²	99	101.9 Å²	101.9	67%	0.669	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-169.9	16.2	171.7	59.4	0	0	0	0	109.7	H327	H327-C329 PolarHBondContact O-N 3.43Å
330	C	90.3	Very high	94.1	Very high	122 Å²	122	103.8 Å²	103.8	82%	0.824	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	24.6	175.4	-49.4	0	0	0	0	116.7	H327	H327-C330 PolarHBondContact O-N 2.63Å
331	S	93.3	Very high	94.1	Very high	35 Å²	35	103.2 Å²	103.2	25%	0.245	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	149.5	174.3	67.7	0	0	0	0	112.9	H327 H333	H327-S331 PolarHBondContact N-O 3.03Å; S331-H333 PolarHBondContact OG-CD2 3.15Å; S331-H333 PolarHBondContact OG-NE2 3.49Å
332	V	95.8	Very high	94	Very high	89 Å²	89	100 Å²	100	54%	0.539	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	119.6	167.8	179.5	0	0	0	0	107.4	C324 K325 F326	C324-V332 HydrophobicContact CB-CG1 3.88Å; K325-V332 WeakPolarHBondContact O-CA 3.31Å; F326-V332 HydrophobicContact CD2-CG2 3.91Å
333	H	96.2	Very high	94	Very high	111 Å²	111	102.2 Å²	102.2	51%	0.514	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.7	174.7	-70.1	-70.2	0	0	0	109.1	C324 K325 H327 S331	C324-H333 WeakPolarHBondContact CA-O 2.88Å; K325-H333 PolarHBondContact N-O 2.89Å; K325-H333 PolarHBondContact O-N 2.83Å; H327-H333 AromaticContact CD2-CD2 3.4Å; H327-H333 PolarHBondContact CD2-CD2 2.77Å; H327-H333 AromaticContact CG-CD2 3.73Å; H327-H333 AromaticContact NE2-CD2 3.7Å; S331-H333 PolarHBondContact OG-CD2 3.15Å; S331-H333 PolarHBondContact OG-NE2 3.49Å
334	C	97	Very high	94.1	Very high	45 Å²	45	97.8 Å²	97.8	30%	0.304	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	152.3	177	-54.7	0	0	0	0	109.9	K321 C324	K321-C334 HydrophobicContact CB-CB 3.94Å; K321-C334 HydrophobicContact CD-CB 4.07Å; K321-C334 HydrophobicContact CG-CB 4.41Å; C324-C334 HydrophobicContact CB-CB 4.08Å; C324-C334 WeakPolarHBondContact CB-SG 3.43Å; C324-C334 WeakPolarHBondContact SG-CB 3.44Å; C324-C334 CovalentContact SG-SG 2.03Å; C324-C334 PolarHBondContact SG-SG 3.06Å
335	R	96.9	Very high	94.1	Very high	166 Å²	166	96.4 Å²	96.4	63%	0.626	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	156.7	168.1	-67.6	180	179.1	169.4	-11	110.3	K321 C322 E323	K321-R335 WeakPolarHBondContact CA-O 3.45Å; C322-R335 PolarHBondContact N-O 2.94Å; C322-R335 PolarHBondContact O-N 2.88Å; C322-R335 PolarHBondContact SG-O 3.19Å; C322-R335 VanDerWaalsContact SG-O 3.34Å; E323-R335 WeakPolarHBondContact OE2-CD 3.28Å; E323-R335 IonicContact OE2-CZ 3.68Å; E323-R335 IonicContact OE2-NE 2.81Å; E323-R335 IonicContact OE2-NH1 2.9Å; E323-R335 PolarHBondContact OE2-NH1 2.68Å
336	D	96.6	Very high	94.2	Very high	101 Å²	101	89.9 Å²	89.9	54%	0.54	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	110.9	170	-78	-44.3	0	0	0	109.2	T319 K321	T319-D336 HydrophobicContact CG2-CB 3.72Å; K321-D336 VanDerWaalsContact CD-OD1 3.26Å; K321-D336 WeakPolarHBondContact CD-OD1 3.35Å; K321-D336 WeakPolarHBondContact CE-OD1 3.47Å; K321-D336 IonicContact NZ-OD1 3.49Å; K321-D336 PolarHBondContact NZ-OD1 2.89Å; K321-D336 IonicContact NZ-OD2 3.41Å; K321-D336 PolarHBondContact NZ-OD2 2.83Å
337	C	95.8	Very high	94.1	Very high	44 Å²	44	87.7 Å²	87.7	30%	0.297	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.6	173.6	-74.8	0	0	0	0	109.9	T319 T320 C322	T319-C337 CarbonylContact C-O 3.45Å; T319-C337 WeakPolarHBondContact CA-O 3.39Å; T320-C337 PolarHBondContact N-O 3.26Å; T320-C337 PolarHBondContact O-N 3.28Å; C322-C337 HydrophobicContact CB-CB 3.64Å; C322-C337 WeakPolarHBondContact CB-SG 3.24Å; C322-C337 WeakPolarHBondContact SG-CB 3.48Å; C322-C337 PolarHBondContact SG-N 3.37Å; C322-C337 CovalentContact SG-SG 2Å; C322-C337 PolarHBondContact SG-SG 3.04Å
338	Q	95.9	Very high	93.9	Very high	153 Å²	153	87.5 Å²	87.5	72%	0.715	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	126.4	168.2	-67.3	-169.3	1.5	0	0	109.6	S317	S317-Q338 PolarHBondContact OG-OE1 3.3Å
339	Q	94.2	Very high	93.5	Very high	107 Å²	107	81.4 Å²	81.4	50%	0.5	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.7	174.5	-172.6	179	-0.5	0	0	109.2	R318 V341	R318-Q339 PolarHBondContact N-O 2.96Å; R318-Q339 PolarHBondContact O-N 3.2Å; Q339-V341 HydrophobicContact CG-CG1 3.98Å; Q339-V341 PolarHBondContact O-N 3.39Å
340	L	93.9	Very high	92.3	Very high	119 Å²	119	86.6 Å²	86.6	62%	0.623	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	118.7	169.3	-66.5	173.6	0	0	0	108.7	R315 V316	R315-L340 HydrophobicContact CG-CB 4.21Å; R315-L340 HydrophobicContact CG-CD2 4.37Å; V316-L340 WeakPolarHBondContact O-CA 3.41Å
341	V	94	Very high	92.4	Very high	33 Å²	33	84.8 Å²	84.8	20%	0.2	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.5	177	-62.9	0	0	0	0	109.6	V316 R318 Q339	V316-V341 HydrophobicContact CG2-CG2 3.74Å; V316-V341 PolarHBondContact N-O 2.86Å; V316-V341 PolarHBondContact O-N 3.07Å; R318-V341 HydrophobicContact CB-CG2 3.83Å; Q339-V341 HydrophobicContact CG-CG1 3.98Å; Q339-V341 PolarHBondContact O-N 3.39Å
342	D	94	Very high	92.4	Very high	66 Å²	66	87.4 Å²	87.4	35%	0.353	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	117.4	172.1	-62.9	-23.5	0	0	0	108.1	T313 R315 F344	T313-D342 HydrophobicContact CG2-CB 4.28Å; R315-D342 IonicContact CZ-OD1 2.66Å; R315-D342 IonicContact NE-OD1 3.28Å; R315-D342 PolarHBondContact NE-OD1 2.56Å; R315-D342 IonicContact NH2-OD1 2.8Å; R315-D342 PolarHBondContact NH2-OD1 2.8Å; R315-D342 IonicContact NH2-OD2 3.53Å; D342-F344 HydrophobicContact CB-CE1 4.46Å; D342-F344 HydrophobicContact CB-CE2 4.37Å; D342-F344 HydrophobicContact CB-CZ 3.92Å
343	E	94.8	Very high	92.2	Very high	70 Å²	70	87.3 Å²	87.3	33%	0.327	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.9	172.2	-83.9	-174.1	169.5	0	0	110.4	L291 T313 A314 V316	L291-E343 HydrophobicContact CD2-CB 4.41Å; L291-E343 HydrophobicContact CD2-CG 4.43Å; T313-E343 WeakPolarHBondContact CA-O 3.41Å; A314-E343 PolarHBondContact N-O 3.38Å; A314-E343 PolarHBondContact O-N 2.81Å; V316-E343 HydrophobicContact CG2-CB 4.21Å; V316-E343 VanDerWaalsContact CG2-CD 3.41Å; V316-E343 HydrophobicContact CG2-CG 3.61Å
344	F	96.4	Very high	91.9	Very high	22 Å²	22	85.9 Å²	85.9	10%	0.096	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	125	-179.9	-51.4	-77.8	0	0	0	109.9	L291 C292 R294 Y311 D312 T313 D342	L291-F344 WeakPolarHBondContact CA-O 3.34Å; C292-F344 PolarHBondContact N-O 3.34Å; R294-F344 HydrophobicContact CB-CD2 4.02Å; R294-F344 HydrophobicContact CB-CE1 4.4Å; R294-F344 HydrophobicContact CB-CE2 3.82Å; R294-F344 HydrophobicContact CB-CG 4.41Å; R294-F344 HydrophobicContact CB-CZ 4.02Å; Y311-F344 HydrophobicContact CD2-CB 3.87Å; Y311-F344 AromaticContact CD2-CD1 3.62Å; Y311-F344 HydrophobicContact CD2-CD1 3.62Å; Y311-F344 HydrophobicContact CD2-CG 4.12Å; Y311-F344 HydrophobicContact CE2-CB 4.42Å; Y311-F344 AromaticContact CE2-CD1 3.5Å; Y311-F344 HydrophobicContact CE2-CD1 3.5Å; Y311-F344 HydrophobicContact CE2-CE1 4.11Å; Y311-F344 HydrophobicContact CE2-CG 4.2Å; Y311-F344 HydrophobicContact CG-CB 4.43Å; D312-F344 VanDerWaalsContact O-CA 3.31Å; D312-F344 WeakPolarHBondContact O-CA 3.33Å; T313-F344 HydrophobicContact CG2-CD1 3.94Å; T313-F344 HydrophobicContact CG2-CE1 3.6Å; T313-F344 HydrophobicContact CG2-CZ 4.5Å; T313-F344 WeakPolarHBondContact OG1-CD1 3.3Å; D342-F344 HydrophobicContact CB-CE1 4.46Å; D342-F344 HydrophobicContact CB-CE2 4.37Å; D342-F344 HydrophobicContact CB-CZ 3.92Å
345	T	96.1	Very high	91.6	Very high	39 Å²	39	88.5 Å²	88.5	24%	0.239	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.7	-175	-59.2	0	0	0	0	110.6	G289 R290 Y311 D312 K347	G289-T345 VanDerWaalsContact CA-CG2 3.47Å; G289-T345 WeakPolarHBondContact O-CG2 3.24Å; R290-T345 CarbonylContact O-C 3.5Å; R290-T345 WeakPolarHBondContact O-CA 3.23Å; Y311-T345 CarbonylContact C-O 3.47Å; Y311-T345 WeakPolarHBondContact CA-O 3.38Å; Y311-T345 WeakPolarHBondContact CB-O 3.45Å; D312-T345 PolarHBondContact N-O 3.3Å; D312-T345 PolarHBondContact O-N 2.82Å; T345-K347 PolarHBondContact O-N 3.21Å
346	C	96.3	Very high	91.3	Very high	2 Å²	2	83.3 Å²	83.3	1%	0.014	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	133.1	-177.8	-63.7	0	0	0	0	112.9	T287 G289 R290 C306	T287-C346 VanDerWaalsContact O-CB 3.22Å; T287-C346 WeakPolarHBondContact O-CB 3.42Å; G289-C346 PolarHBondContact N-O 2.63Å; R290-C346 PolarHBondContact O-N 3.39Å; C306-C346 WeakPolarHBondContact CA-SG 3.27Å; C306-C346 HydrophobicContact CB-CB 3.61Å; C306-C346 WeakPolarHBondContact CB-SG 3.02Å; C306-C346 PolarHBondContact N-SG 3.45Å; C306-C346 VanDerWaalsContact N-SG 3.42Å; C306-C346 WeakPolarHBondContact SG-CA 3.38Å; C306-C346 WeakPolarHBondContact SG-CB 3.09Å; C306-C346 CovalentContact SG-SG 2.04Å; C306-C346 PolarHBondContact SG-SG 3.41Å
347	K	95.4	Very high	90.9	Very high	87 Å²	87	82.1 Å²	82.1	38%	0.378	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-66.9	151.6	177.4	-70.9	179.2	172.3	-175.7	0	112.5	R309 G310 D312 T345	R309-K347 PolarHBondContact NE-O 3.44Å; R309-K347 PolarHBondContact NH2-O 2.96Å; G310-K347 PolarHBondContact O-N 3.24Å; D312-K347 WeakPolarHBondContact OD1-CE 3.43Å; D312-K347 IonicContact OD1-NZ 3.24Å; T345-K347 PolarHBondContact O-N 3.21Å
348	S	89.1	Confident	90.5	Very high	82 Å²	82	85 Å²	85	57%	0.573	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-70.5	160.1	166.3	50.5	0	0	0	0	111.2	T350	S348-T350 PolarHBondContact O-N 2.9Å
349	Q	76.4	Confident	90.1	Very high	118 Å²	118	79.3 Å²	79.3	55%	0.551	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-68	127	165.6	-76.3	-178.1	-25	0	0	108.2	R309	R309-Q349 VanDerWaalsContact CD-CG 3.5Å
350	T	60.2	Low	89.7	Confident	207 Å²	207	76.8 Å²	76.8	100%	1.27	42%	0.42	S	S	*	.			trans	-77	0	165.4	43.6	0	0	0	0	110.5	S348	S348-T350 PolarHBondContact O-N 2.9Å

Retrieved 350 of 350 residues in 240.6 ms (Link to these results)

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