A0A087Y4V2_POEFO Loading...

NAD(P)(+)--arginine ADP-ribosyltransferase

AlphaFold DB , UniProt , Accession A0A087Y4V2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 274 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	38.4	Very low	37.4	Very low	242 Å²	242	150.5 Å²	150.5	100%	1.192	82%	0.817	S	S	*	*				0	139.1	0	-89	164.2	63.1	0	0	109
2	K	37.7	Very low	37.5	Very low	198 Å²	198	156.9 Å²	156.9	86%	0.861	82%	0.824	S	S	*	*			trans	87.4	69.9	-177.5	-64.2	-173.6	175.2	-178.7	0	117.6
3	T	35	Very low	37.8	Very low	117 Å²	117	154.7 Å²	154.7	72%	0.718	81%	0.812	S	S	*	*				37.4	128.7	100.3	-33.4	0	0	0	0	121.2
4	N	33.8	Very low	38.3	Very low	141 Å²	141	155.6 Å²	155.6	75%	0.754	82%	0.816	S	S	*	*			trans	70.5	149.3	149.9	-67.7	0	0	0	0	118.1
5	M	36.3	Very low	38.4	Very low	159 Å²	159	154.5 Å²	154.5	78%	0.783	81%	0.81	S	S	*	*			cis	-166.8	145.2	25.5	-148.8	157.7	57.8	0	0	110.1
6	L	38.6	Very low	38.4	Very low	153 Å²	153	148.9 Å²	148.9	80%	0.801	80%	0.802	S	S	*	*			trans	-72.1	142.9	163.9	-83.2	146	0	0	0	110.9
7	V	41	Very low	38.4	Very low	131 Å²	131	153.6 Å²	153.6	79%	0.794	81%	0.806	S	S	*	*			trans	-134.9	129.3	153.2	178.4	0	0	0	0	109
8	F	36.5	Very low	38.7	Very low	195 Å²	195	152.4 Å²	152.4	86%	0.855	81%	0.806	S	S	*	*			trans	-72.3	149.7	177.8	-82.3	-101.5	0	0	0	112.5
9	G	36.5	Very low	39	Very low	73 Å²	73	152.4 Å²	152.4	75%	0.753	81%	0.806	S	S	*	*			trans	-161.2	90.1	167.1	0	0	0	0	0	113
10	S	38.3	Very low	39.4	Very low	107 Å²	107	150.5 Å²	150.5	75%	0.748	80%	0.802	S	S	*	*			trans	38.7	102.9	143.7	-176.9	0	0	0	0	118.6
11	L	39.1	Very low	39.5	Very low	140 Å²	140	151.3 Å²	151.3	73%	0.733	81%	0.806	S	S	*	*				56	95	92.4	-152	87.1	0	0	0	114.6
12	Y	38.3	Very low	39.4	Very low	227 Å²	227	145.4 Å²	145.4	89%	0.89	79%	0.787	S	S	*	*			trans	-142.5	110.9	140.8	-103.5	-77.7	0	0	0	110.1	L14	Y12-L14 PolarHBondContact O-N 3.3Å
13	L	41.8	Very low	39.7	Very low	128 Å²	128	140 Å²	140	67%	0.67	78%	0.78	S	S	*	*			trans	-61.3	113.7	166.8	-75.4	144.4	0	0	0	109.2
14	L	45.4	Very low	39.7	Very low	167 Å²	167	142.5 Å²	142.5	87%	0.874	78%	0.783	S	S	*	*			trans	-116.9	88.8	152.1	-74.3	172	0	0	0	106.9	Y12 G16	Y12-L14 PolarHBondContact O-N 3.3Å; L14-G16 PolarHBondContact O-N 3.06Å
15	L	39.7	Very low	39.6	Very low	139 Å²	139	145.2 Å²	145.2	73%	0.728	79%	0.788	S	S	*	*			trans	-57.8	91.1	157.5	-75.2	159.3	0	0	0	106.7	W17	L15-W17 PolarHBondContact O-N 3.01Å; L15-W17 VanDerWaalsContact O-N 3.1Å
16	G	38.2	Very low	39.8	Very low	66 Å²	66	145.1 Å²	145.1	68%	0.68	79%	0.789	S	S	*	*			trans	-69	99.7	164.4	0	0	0	0	0	107.3	L14 T18	L14-G16 PolarHBondContact O-N 3.06Å; G16-T18 PolarHBondContact O-N 3.19Å
17	W	37.7	Very low	39.9	Very low	228 Å²	228	142.7 Å²	142.7	86%	0.864	79%	0.785	S	S	*	*			trans	-58.8	106.6	169.3	-72.8	38.1	0	0	0	106.9	L15 L19	L15-W17 PolarHBondContact O-N 3.01Å; L15-W17 VanDerWaalsContact O-N 3.1Å; W17-L19 VanDerWaalsContact C-N 3.32Å; W17-L19 PolarHBondContact O-N 2.97Å
18	T	43.6	Very low	39.7	Very low	133 Å²	133	138.3 Å²	138.3	82%	0.816	77%	0.767	S	S	*	*			trans	-64.8	101.3	162.2	44.4	0	0	0	0	106.1	G16	G16-T18 PolarHBondContact O-N 3.19Å
19	L	45.6	Very low	39.5	Very low	152 Å²	152	134.8 Å²	134.8	80%	0.796	76%	0.761	S	S	*	*			trans	-53.3	126.3	166.2	-76.6	163.9	0	0	0	107	W17 L21	W17-L19 VanDerWaalsContact C-N 3.32Å; W17-L19 PolarHBondContact O-N 2.97Å; L19-L21 PolarHBondContact O-N 3.03Å; L19-L21 VanDerWaalsContact O-N 3.17Å
20	P	47	Very low	39.4	Very low	113 Å²	113	140.6 Å²	140.6	73%	0.734	77%	0.766	S	S	*	*			trans	-59.4	126.8	175.2	-13.1	25.7	0	0	0	106.8	C22	P20-C22 VanDerWaalsContact C-N 3.35Å; P20-C22 PolarHBondContact O-N 2.8Å
21	L	41.2	Very low	39.1	Very low	169 Å²	169	142.5 Å²	142.5	89%	0.885	77%	0.766	S	S	*	*			trans	-44.4	108.3	158.7	-83.5	129	0	0	0	106.7	L19 A23	L19-L21 PolarHBondContact O-N 3.03Å; L19-L21 VanDerWaalsContact O-N 3.17Å; L21-A23 PolarHBondContact O-N 3.19Å
22	C	36.6	Very low	39.1	Very low	117 Å²	117	140.6 Å²	140.6	79%	0.791	76%	0.761	S	S	*	*			trans	-60.3	87.8	159.1	-85.1	0	0	0	0	105.3	P20 H24	P20-C22 VanDerWaalsContact C-N 3.35Å; P20-C22 PolarHBondContact O-N 2.8Å; C22-H24 PolarHBondContact O-N 2.67Å
23	A	43.8	Very low	39.4	Very low	86 Å²	86	139.2 Å²	139.2	71%	0.711	76%	0.762	S	S	*	*			trans	-60.4	93.3	157.4	0	0	0	0	0	104.7	L21 K25	L21-A23 PolarHBondContact O-N 3.19Å; A23-K25 PolarHBondContact O-N 3.22Å
24	H	34.5	Very low	39.6	Very low	169 Å²	169	140 Å²	140	78%	0.782	77%	0.767	S	S	*	*			trans	-56.6	95	155.6	-90.4	-59.7	0	0	0	105	C22 I26	C22-H24 PolarHBondContact O-N 2.67Å; H24-I26 PolarHBondContact O-N 2.51Å
25	K	33	Very low	40.1	Very low	197 Å²	197	137.6 Å²	137.6	86%	0.857	76%	0.755	S	S	*	*			trans	-55.2	94.6	153.6	-92.1	-177.9	174.6	177.3	0	104	A23 S27	A23-K25 PolarHBondContact O-N 3.22Å; K25-S27 PolarHBondContact O-N 3.25Å
26	I	40.5	Very low	41.8	Very low	157 Å²	157	139.3 Å²	139.3	81%	0.805	76%	0.759	S	S	*	*			trans	-60.2	90.4	151.7	-60.1	174.9	0	0	0	102.3	H24 G28	H24-I26 PolarHBondContact O-N 2.51Å; I26-G28 PolarHBondContact O-N 3.32Å
27	S	39.9	Very low	44.3	Very low	102 Å²	102	138.4 Å²	138.4	71%	0.713	74%	0.743	S	S	*	*			trans	-65.8	80.5	160.4	-172.2	0	0	0	0	103.6	K25 T29	K25-S27 PolarHBondContact O-N 3.25Å; S27-T29 PolarHBondContact O-N 3.22Å
28	G	35.7	Very low	47	Very low	40 Å²	40	130 Å²	130	41%	0.412	71%	0.714	S	S	.	*			trans	-58.1	104.5	159.7	0	0	0	0	0	103.6	I26 F30	I26-G28 PolarHBondContact O-N 3.32Å; G28-F30 WeakPolarHBondContact O-CD2 3.24Å; G28-F30 PolarHBondContact O-N 2.03Å
29	T	32.4	Very low	49.5	Very low	120 Å²	120	126.9 Å²	126.9	74%	0.736	70%	0.696	S	S	*	*			trans	-52.5	97.7	157.3	19	0	0	0	0	104.8	S27 I31	S27-T29 PolarHBondContact O-N 3.22Å; T29-I31 PolarHBondContact O-N 3.36Å
30	F	34.9	Very low	51.9	Low	195 Å²	195	120.5 Å²	120.5	86%	0.855	66%	0.663	S	S	*	*			trans	-59.1	92.9	158.1	-70.6	-83.5	0	0	0	104	G28 T32	G28-F30 WeakPolarHBondContact O-CD2 3.24Å; G28-F30 PolarHBondContact O-N 2.03Å; F30-T32 PolarHBondContact O-N 3.44Å
31	I	32.9	Very low	54.3	Low	148 Å²	148	118.2 Å²	118.2	76%	0.759	64%	0.644	S	S	*	*			trans	-63.4	96.5	162.7	-61.8	-168.5	0	0	0	103.3	T29 Q33	T29-I31 PolarHBondContact O-N 3.36Å; I31-Q33 PolarHBondContact O-N 3.15Å
32	T	38.4	Very low	57	Low	100 Å²	100	112 Å²	112	61%	0.613	61%	0.611	S	S	*	*			trans	-52.9	131.2	161.8	48.8	0	0	0	0	105.6	F30 D34	F30-T32 PolarHBondContact O-N 3.44Å; T32-D34 PolarHBondContact O-N 2.9Å
33	Q	45.2	Very low	59.9	Low	197 Å²	197	106.9 Å²	106.9	92%	0.921	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	10.2	-179.4	-168.1	175.7	-19.7	0	0	113.5	I31	I31-Q33 PolarHBondContact O-N 3.15Å
34	D	45.9	Very low	62.4	Low	144 Å²	144	107 Å²	107	77%	0.77	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	0.8	-163.7	-151.8	27.7	0	0	0	114.5	T32	T32-D34 PolarHBondContact O-N 2.9Å
35	D	54.8	Low	65.4	Low	118 Å²	118	103 Å²	103	63%	0.631	55%	0.55	S	S	*	.	S	Bend	trans	-123.1	6.3	178.4	-149.7	18.6	0	0	0	116.2	S37 K171	D35-S37 PolarHBondContact O-N 3.45Å; D35-S37 VanDerWaalsContact O-N 3.13Å; D35-K171 IonicContact OD1-NZ 2.63Å; D35-K171 PolarHBondContact OD1-NZ 2.82Å; D35-K171 VanDerWaalsContact OD1-NZ 3.14Å
36	Q	76.6	Confident	68.5	Low	174 Å²	174	93.7 Å²	93.7	81%	0.813	51%	0.509	S	S	*	.			trans	-81.8	99	174.7	-161.3	173.7	13	0	0	110.8
37	S	90	Very high	71.2	Confident	48 Å²	48	86.2 Å²	86.2	34%	0.336	47%	0.471	S	S	.	.			trans	-71	133.3	171	61.2	0	0	0	0	111.5	D35 P39 K171	D35-S37 PolarHBondContact O-N 3.45Å; D35-S37 VanDerWaalsContact O-N 3.13Å; S37-P39 WeakPolarHBondContact O-CD 3.34Å; S37-K171 WeakPolarHBondContact CA-O 2.94Å
38	I	94.4	Very high	74	Confident	52 Å²	52	81.3 Å²	81.3	27%	0.267	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	115.2	176.6	-55.1	173.1	0	0	0	109	K171 F172 T173	I38-K171 PolarHBondContact N-O 2.82Å; I38-F172 HydrophobicContact CB-CD1 3.71Å; I38-F172 HydrophobicContact CB-CE1 3.83Å; I38-F172 HydrophobicContact CB-CG 4.31Å; I38-F172 HydrophobicContact CD1-CE1 4.17Å; I38-F172 HydrophobicContact CD1-CZ 4.08Å; I38-F172 HydrophobicContact CG2-CD1 3.76Å; I38-F172 HydrophobicContact CG2-CE1 3.58Å; I38-F172 HydrophobicContact CG2-CZ 4.5Å; I38-F172 CarbonylContact O-C 3.52Å; I38-F172 WeakPolarHBondContact O-CA 2.91Å; I38-F172 WeakPolarHBondContact O-CD1 3.19Å; I38-T173 PolarHBondContact O-N 3.48Å
39	P	96	Very high	77	Confident	67 Å²	67	79.4 Å²	79.4	44%	0.435	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	139.2	176.1	28.2	-33.4	0	0	0	110.9	S37 T173	S37-P39 WeakPolarHBondContact O-CD 3.34Å; P39-T173 CarbonylContact C-O 3.56Å; P39-T173 WeakPolarHBondContact CA-O 3.43Å
40	L	97.2	Very high	80	Confident	17 Å²	17	75.4 Å²	75.4	9%	0.089	39%	0.39	C	S	.	.			trans	-84.8	109.7	166.7	-63	172.2	0	0	0	108	F172 T173 I180 F203 I236 Y253	L40-F172 HydrophobicContact CD1-CB 4.35Å; L40-F172 HydrophobicContact CD2-CB 4.23Å; L40-F172 HydrophobicContact CD2-CD1 3.47Å; L40-F172 VanDerWaalsContact CD2-CD1 3.47Å; L40-F172 HydrophobicContact CD2-CE1 4.13Å; L40-F172 HydrophobicContact CD2-CG 4.13Å; L40-F172 HydrophobicContact CG-CB 4.09Å; L40-F172 HydrophobicContact CG-CD1 4.11Å; L40-T173 PolarHBondContact N-O 3.43Å; L40-I180 HydrophobicContact CB-CB 4.29Å; L40-I180 HydrophobicContact CB-CG1 4.46Å; L40-I180 HydrophobicContact CB-CG2 3.87Å; L40-I180 WeakPolarHBondContact O-CG2 3.35Å; L40-F203 HydrophobicContact CD1-CE1 3.91Å; L40-F203 HydrophobicContact CD2-CE1 4.07Å; L40-F203 HydrophobicContact CD2-CZ 4.19Å; L40-I236 HydrophobicContact CB-CD1 4.33Å; L40-I236 HydrophobicContact CD1-CD1 4.11Å; L40-Y253 HydrophobicContact CD1-CD1 4.19Å; L40-Y253 HydrophobicContact CD1-CD2 3.92Å; L40-Y253 HydrophobicContact CD1-CE1 4.2Å; L40-Y253 HydrophobicContact CD1-CE2 3.94Å; L40-Y253 HydrophobicContact CD1-CG 4.06Å
41	D	96.6	Very high	83	Confident	66 Å²	66	66.2 Å²	66.2	35%	0.353	35%	0.35	S	S	.	.	S	Bend	trans	-136.4	-164.6	-178	60.6	27.2	0	0	0	110.8	V43 I180 R181	D41-V43 WeakPolarHBondContact OD1-CA 3.4Å; D41-V43 VanDerWaalsContact OD1-CG2 3.23Å; D41-V43 WeakPolarHBondContact OD1-CG2 3.4Å; D41-V43 PolarHBondContact OD1-N 2.78Å; D41-I180 CarbonylContact O-C 3.58Å; D41-I180 VanDerWaalsContact O-CA 3.31Å; D41-I180 WeakPolarHBondContact O-CA 3.4Å; D41-I180 WeakPolarHBondContact O-CB 3.27Å; D41-R181 PolarHBondContact O-N 3.08Å
42	M	97.4	Very high	85.9	Confident	37 Å²	37	62.6 Å²	62.6	18%	0.182	34%	0.338	C	S	.	.			trans	-83.8	-9.5	-179.7	-71.3	-60.9	-67.7	0	0	114.1	V179 R181 T233 Q261	M42-V179 HydrophobicContact SD-CG1 4Å; M42-R181 PolarHBondContact O-NE 3.22Å; M42-R181 PolarHBondContact O-NH2 2.85Å; M42-T233 HydrophobicContact CE-CG2 4.05Å; M42-Q261 HydrophobicContact CE-CB 4.49Å
43	V	96.9	Very high	88.6	Confident	11 Å²	11	63.8 Å²	63.8	7%	0.067	35%	0.345	C	S	.	.			trans	50	63.6	-178.8	-164.5	0	0	0	0	111.2	D41 N45 S46 R128 R181	D41-V43 WeakPolarHBondContact OD1-CA 3.4Å; D41-V43 VanDerWaalsContact OD1-CG2 3.23Å; D41-V43 WeakPolarHBondContact OD1-CG2 3.4Å; D41-V43 PolarHBondContact OD1-N 2.78Å; V43-N45 PolarHBondContact O-N 3.23Å; V43-N45 VanDerWaalsContact O-N 3.15Å; V43-S46 WeakPolarHBondContact O-CB 3.42Å; V43-S46 PolarHBondContact O-N 3.43Å; V43-R128 HydrophobicContact CG1-CG 3.8Å; V43-R181 VanDerWaalsContact CG2-O 3.3Å; V43-R181 WeakPolarHBondContact CG2-O 3.44Å; V43-R181 PolarHBondContact O-NH2 3.36Å
44	D	97.1	Very high	91.1	Very high	87 Å²	87	54.7 Å²	54.7	47%	0.465	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.3	-170.8	-65.6	-39.7	0	0	0	113.8	S46 R131 N263	D44-S46 VanDerWaalsContact C-N 3.27Å; D44-S46 PolarHBondContact O-N 3.48Å; D44-R131 VanDerWaalsContact O-CD 3.3Å; D44-R131 WeakPolarHBondContact O-CD 3.2Å; D44-R131 PolarHBondContact O-NE 2.91Å; D44-R131 PolarHBondContact O-NH2 3.43Å; D44-N263 PolarHBondContact O-ND2 3.31Å
45	N	97.3	Very high	93.5	Very high	87 Å²	87	48.8 Å²	48.8	47%	0.465	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	10	176.2	-65.9	-31.3	0	0	0	113.7	V43 R128 T129 N130 R131	V43-N45 PolarHBondContact O-N 3.23Å; V43-N45 VanDerWaalsContact O-N 3.15Å; N45-R128 CarbonylContact C-O 3.58Å; N45-R128 VanDerWaalsContact C-O 3.28Å; N45-R128 CarbonylContact O-C 3.43Å; N45-T129 CarbonylContact O-C 3.57Å; N45-T129 VanDerWaalsContact O-C 3.24Å; N45-N130 PolarHBondContact O-N 3.01Å; N45-R131 WeakPolarHBondContact O-CB 3.21Å; N45-R131 PolarHBondContact O-N 2.76Å
46	S	98.1	Very high	95.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.273	C	S	.	.			trans	-68	138.8	174.9	-179.4	0	0	0	0	112	V43 D44 D48 V127 R128 G183	V43-S46 WeakPolarHBondContact O-CB 3.42Å; V43-S46 PolarHBondContact O-N 3.43Å; D44-S46 VanDerWaalsContact C-N 3.27Å; D44-S46 PolarHBondContact O-N 3.48Å; S46-D48 PolarHBondContact O-N 3.49Å; S46-V127 CarbonylContact C-O 3.56Å; S46-V127 WeakPolarHBondContact CA-O 3.39Å; S46-R128 PolarHBondContact N-O 3.44Å; S46-G183 WeakPolarHBondContact CB-O 3.33Å; S46-G183 VanDerWaalsContact OG-CA 3.3Å; S46-G183 WeakPolarHBondContact OG-CA 3.43Å; S46-G183 PolarHBondContact OG-O 2.94Å
47	V	98.4	Very high	96.4	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.262	C	S	.	.			trans	-78.3	102.6	160.4	-178.6	0	0	0	0	107.6	V127 Y134 F138 H144 L264	V47-V127 HydrophobicContact CB-CG1 4.43Å; V47-V127 PolarHBondContact N-O 3.31Å; V47-V127 WeakPolarHBondContact O-CG1 3.37Å; V47-Y134 HydrophobicContact CB-CD2 4.35Å; V47-Y134 HydrophobicContact CG1-CD2 3.26Å; V47-Y134 HydrophobicContact CG1-CE2 3.31Å; V47-Y134 HydrophobicContact CG1-CG 4.09Å; V47-Y134 HydrophobicContact CG2-CD2 4.15Å; V47-F138 HydrophobicContact CB-CE2 4.34Å; V47-F138 HydrophobicContact CB-CZ 4.32Å; V47-F138 HydrophobicContact CG1-CE1 4.26Å; V47-F138 HydrophobicContact CG1-CZ 4.13Å; V47-F138 HydrophobicContact CG2-CD2 3.98Å; V47-F138 HydrophobicContact CG2-CE2 3.76Å; V47-F138 HydrophobicContact CG2-CZ 4.2Å; V47-H144 PolarHBondContact O-NE2 3.48Å; V47-H144 VanDerWaalsContact O-NE2 3.1Å; V47-L264 HydrophobicContact CB-CD1 4.33Å; V47-L264 HydrophobicContact CG1-CD1 3.98Å
48	D	97.8	Very high	96.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.246	C	C	.	.			trans	-121.8	13.7	-167.2	52.2	7	0	0	0	114	S46 M50 R181 P230 Y231 S262 N263 L264	S46-D48 PolarHBondContact O-N 3.49Å; D48-M50 PolarHBondContact O-N 2.91Å; D48-R181 VanDerWaalsContact CG-NH1 3.3Å; D48-R181 IonicContact OD2-CZ 3Å; D48-R181 IonicContact OD2-NH1 2.8Å; D48-R181 PolarHBondContact OD2-NH1 2.65Å; D48-R181 IonicContact OD2-NH2 2.9Å; D48-R181 PolarHBondContact OD2-NH2 3.03Å; D48-P230 HydrophobicContact CB-CB 4.37Å; D48-Y231 WeakPolarHBondContact O-CD1 3.39Å; D48-S262 VanDerWaalsContact C-OG 3.31Å; D48-S262 PolarHBondContact O-OG 2.73Å; D48-S262 PolarHBondContact OD1-OG 3.12Å; D48-S262 VanDerWaalsContact OD1-OG 3.08Å; D48-N263 VanDerWaalsContact CG-N 3.28Å; D48-N263 PolarHBondContact OD1-N 2.84Å; D48-N263 WeakPolarHBondContact OD2-CB 3.47Å; D48-N263 PolarHBondContact OD2-N 3.12Å; D48-L264 VanDerWaalsContact OD1-CB 3.29Å; D48-L264 WeakPolarHBondContact OD1-CB 3.44Å; D48-L264 WeakPolarHBondContact OD1-CG 3.15Å; D48-L264 PolarHBondContact OD1-N 3.14Å
49	D	97.8	Very high	96.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.246	C	C	.	.			trans	-51.8	126.7	-172	-157.9	-32.2	0	0	0	113.2	Y51 Y134 H144 L264 D265 C266	D49-Y51 HydrophobicContact CB-CD1 4.45Å; D49-Y51 HydrophobicContact CB-CE1 3.97Å; D49-Y51 HydrophobicContact CB-CE2 4.33Å; D49-Y51 WeakPolarHBondContact OD1-CD1 3.45Å; D49-Y51 PolarHBondContact OD1-N 3.18Å; D49-Y134 HydrophobicContact CB-CE1 4.08Å; D49-Y134 VanDerWaalsContact CB-OH 3.27Å; D49-Y134 WeakPolarHBondContact CB-OH 3.36Å; D49-Y134 VanDerWaalsContact OD2-CE1 3.29Å; D49-Y134 WeakPolarHBondContact OD2-CE1 3.21Å; D49-Y134 PolarHBondContact OD2-OH 3.29Å; D49-Y134 VanDerWaalsContact OD2-OH 3.08Å; D49-H144 PolarHBondContact O-CE1 2.9Å; D49-L264 WeakPolarHBondContact CA-O 3.46Å; D49-L264 HydrophobicContact CB-CB 3.95Å; D49-D265 WeakPolarHBondContact OD1-CA 3.02Å; D49-C266 PolarHBondContact OD1-N 2.77Å; D49-C266 PolarHBondContact OD2-N 2.77Å
50	M	96.8	Very high	97	Very high	36 Å²	36	46.8 Å²	46.8	18%	0.177	25%	0.254	C	S	.	.			trans	-92.8	-17.5	-178	-68.2	-175.8	63.9	0	0	112.9	D48 S52 Q152 Y231 V260	D48-M50 PolarHBondContact O-N 2.91Å; M50-S52 VanDerWaalsContact C-N 3.26Å; M50-S52 PolarHBondContact O-N 2.86Å; M50-Q152 PolarHBondContact O-NE2 2.72Å; M50-Y231 HydrophobicContact CB-CD1 4.47Å; M50-Y231 HydrophobicContact CB-CE1 4.49Å; M50-Y231 HydrophobicContact CE-CD2 3.94Å; M50-Y231 HydrophobicContact CE-CE2 3.91Å; M50-Y231 HydrophobicContact CE-CG 4.39Å; M50-Y231 HydrophobicContact CG-CD1 3.42Å; M50-Y231 VanDerWaalsContact CG-CD1 3.42Å; M50-Y231 HydrophobicContact CG-CD2 4.07Å; M50-Y231 HydrophobicContact CG-CE1 3.79Å; M50-Y231 HydrophobicContact CG-CE2 4.41Å; M50-Y231 HydrophobicContact CG-CG 3.55Å; M50-Y231 HydrophobicContact SD-CD1 4.37Å; M50-Y231 HydrophobicContact SD-CD2 3.97Å; M50-Y231 HydrophobicContact SD-CE2 4.48Å; M50-Y231 HydrophobicContact SD-CG 3.89Å; M50-V260 HydrophobicContact CE-CB 4.13Å; M50-V260 HydrophobicContact CE-CG1 4.33Å; M50-V260 HydrophobicContact CE-CG2 3.95Å; M50-V260 HydrophobicContact SD-CB 4.28Å; M50-V260 HydrophobicContact SD-CG2 4.32Å
51	Y	97.1	Very high	96.9	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	26%	0.255	C	S	.	.			trans	53	40.2	-174.4	-47.7	-71.5	0	0	0	113.3	D49 T53 A55 M58 Y134 H144 F145 T148 D265	D49-Y51 HydrophobicContact CB-CD1 4.45Å; D49-Y51 HydrophobicContact CB-CE1 3.97Å; D49-Y51 HydrophobicContact CB-CE2 4.33Å; D49-Y51 WeakPolarHBondContact OD1-CD1 3.45Å; D49-Y51 PolarHBondContact OD1-N 3.18Å; Y51-T53 VanDerWaalsContact C-N 3.29Å; Y51-T53 PolarHBondContact O-N 3.39Å; Y51-A55 PolarHBondContact O-N 2.58Å; Y51-M58 HydrophobicContact CD1-CB 4.03Å; Y51-M58 HydrophobicContact CD1-CG 3.72Å; Y51-M58 HydrophobicContact CE1-CB 4.37Å; Y51-M58 HydrophobicContact CE1-CE 4.1Å; Y51-M58 HydrophobicContact CE1-CG 3.56Å; Y51-M58 HydrophobicContact CE1-SD 4.08Å; Y51-Y134 VanDerWaalsContact CE1-OH 3.3Å; Y51-Y134 WeakPolarHBondContact CE1-OH 3.3Å; Y51-Y134 PolarHBondContact OH-OH 3.49Å; Y51-H144 AromaticContact CE2-ND1 3.66Å; Y51-H144 AromaticContact CZ-ND1 3.63Å; Y51-H144 PolarHBondContact OH-ND1 3.31Å; Y51-F145 HydrophobicContact CD1-CD2 4.1Å; Y51-F145 AromaticContact CD2-CD2 3.73Å; Y51-F145 HydrophobicContact CD2-CD2 3.73Å; Y51-F145 HydrophobicContact CD2-CE2 4.26Å; Y51-F145 HydrophobicContact CE1-CD2 4.08Å; Y51-F145 HydrophobicContact CE2-CB 4.16Å; Y51-F145 AromaticContact CE2-CD2 3.71Å; Y51-F145 HydrophobicContact CE2-CD2 3.71Å; Y51-F145 HydrophobicContact CE2-CG 4.42Å; Y51-F145 AromaticContact CG-CD2 3.91Å; Y51-F145 HydrophobicContact CG-CD2 3.91Å; Y51-F145 HydrophobicContact CG-CE2 4.18Å; Y51-F145 AromaticContact CZ-CD2 3.85Å; Y51-T148 HydrophobicContact CD2-CG2 3.76Å; Y51-T148 HydrophobicContact CE2-CG2 4.08Å; Y51-D265 PolarHBondContact N-OD1 2.78Å
52	S	94.3	Very high	96.9	Very high	73 Å²	73	44 Å²	44	51%	0.51	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-36.3	-165.1	71.6	0	0	0	0	113.5	M50 D265	M50-S52 VanDerWaalsContact C-N 3.26Å; M50-S52 PolarHBondContact O-N 2.86Å; S52-D265 VanDerWaalsContact CB-OD2 3.24Å; S52-D265 WeakPolarHBondContact CB-OD2 3.41Å; S52-D265 PolarHBondContact N-OD1 2.77Å; S52-D265 VanDerWaalsContact OG-CG 3.24Å; S52-D265 PolarHBondContact OG-OD1 3.08Å; S52-D265 PolarHBondContact OG-OD2 2.83Å
53	T	95.4	Very high	96.9	Very high	125 Å²	125	46.7 Å²	46.7	77%	0.767	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.8	-4.3	-175.7	56.3	0	0	0	0	113.6	Y51	Y51-T53 VanDerWaalsContact C-N 3.29Å; Y51-T53 PolarHBondContact O-N 3.39Å
54	C	96.6	Very high	96.8	Very high	6 Å²	6	47.9 Å²	47.9	4%	0.041	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124	11.7	-170.3	63.9	0	0	0	0	114.3	T56 K57 M58 C266 T269	C54-T56 VanDerWaalsContact C-N 3.27Å; C54-T56 PolarHBondContact O-N 2.85Å; C54-T56 VanDerWaalsContact O-N 3.15Å; C54-K57 PolarHBondContact O-N 2.87Å; C54-M58 PolarHBondContact O-N 3.04Å; C54-C266 HydrophobicContact CB-CB 3.59Å; C54-C266 WeakPolarHBondContact CB-SG 3.44Å; C54-C266 PolarHBondContact N-SG 2.72Å; C54-C266 WeakPolarHBondContact SG-CA 3.27Å; C54-C266 WeakPolarHBondContact SG-CB 3.5Å; C54-C266 CovalentContact SG-SG 2.03Å; C54-C266 PolarHBondContact SG-SG 2.83Å; C54-T269 HydrophobicContact CB-CG2 3.83Å; C54-T269 WeakPolarHBondContact CB-OG1 3.46Å
55	A	96.4	Very high	96.7	Very high	20 Å²	20	45.6 Å²	45.6	17%	0.165	25%	0.252	C	S	.	.	H	α-helix	trans	-49.4	-45.3	-175.4	0	0	0	0	0	113.4	Y51 M58 E59 F145	Y51-A55 PolarHBondContact O-N 2.58Å; A55-M58 PolarHBondContact O-N 3.08Å; A55-E59 WeakPolarHBondContact O-CB 3.33Å; A55-E59 PolarHBondContact O-N 3.4Å; A55-F145 WeakPolarHBondContact O-CZ 3.4Å
56	T	96.4	Very high	96.7	Very high	97 Å²	97	42.4 Å²	42.4	60%	0.595	23%	0.234	S	C	*	.	H	α-helix	trans	-63.5	-48.5	177.6	-53.4	0	0	0	0	112.4	C54 M58 E59 E60	C54-T56 VanDerWaalsContact C-N 3.27Å; C54-T56 PolarHBondContact O-N 2.85Å; C54-T56 VanDerWaalsContact O-N 3.15Å; T56-M58 VanDerWaalsContact C-N 3.32Å; T56-M58 PolarHBondContact O-N 2.9Å; T56-E59 WeakPolarHBondContact O-CB 3.39Å; T56-E59 PolarHBondContact O-N 3.03Å; T56-E60 PolarHBondContact O-N 3.25Å; T56-E60 VanDerWaalsContact O-N 3.08Å
57	K	96.9	Very high	96.6	Very high	136 Å²	136	43.7 Å²	43.7	59%	0.591	24%	0.241	S	C	*	.	H	α-helix	trans	-63.1	-39.9	178.1	-68.1	-177.7	179.5	177.9	0	111.6	C54 E60 K61	C54-K57 PolarHBondContact O-N 2.87Å; K57-E60 PolarHBondContact O-N 3.15Å; K57-K61 PolarHBondContact O-N 3.09Å
58	M	97.3	Very high	96.5	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67	-38.8	176.8	-170.1	60.5	-173.6	0	0	111.2	Y51 C54 A55 T56 E60 K61 V62 Y66 H141 F145 I268 T269	Y51-M58 HydrophobicContact CD1-CB 4.03Å; Y51-M58 HydrophobicContact CD1-CG 3.72Å; Y51-M58 HydrophobicContact CE1-CB 4.37Å; Y51-M58 HydrophobicContact CE1-CE 4.1Å; Y51-M58 HydrophobicContact CE1-CG 3.56Å; Y51-M58 HydrophobicContact CE1-SD 4.08Å; C54-M58 PolarHBondContact O-N 3.04Å; A55-M58 PolarHBondContact O-N 3.08Å; T56-M58 VanDerWaalsContact C-N 3.32Å; T56-M58 PolarHBondContact O-N 2.9Å; M58-E60 PolarHBondContact O-N 3.43Å; M58-K61 PolarHBondContact O-N 2.81Å; M58-V62 HydrophobicContact CE-CG2 3.74Å; M58-V62 HydrophobicContact CG-CG2 4.26Å; M58-V62 WeakPolarHBondContact O-CB 3.44Å; M58-V62 VanDerWaalsContact O-CG2 3.27Å; M58-V62 WeakPolarHBondContact O-CG2 3.33Å; M58-V62 PolarHBondContact O-N 3.05Å; M58-V62 HydrophobicContact SD-CG2 4.47Å; M58-Y66 HydrophobicContact CE-CD2 3.89Å; M58-Y66 HydrophobicContact CE-CE2 3.71Å; M58-Y66 HydrophobicContact SD-CE2 4.24Å; M58-H141 HydrophobicContact CE-CB 4.28Å; M58-F145 HydrophobicContact CB-CD2 3.84Å; M58-F145 HydrophobicContact CB-CE2 3.61Å; M58-F145 HydrophobicContact CB-CZ 4.3Å; M58-F145 HydrophobicContact CE-CB 4.48Å; M58-F145 HydrophobicContact CG-CB 4.43Å; M58-F145 HydrophobicContact CG-CD2 3.32Å; M58-F145 HydrophobicContact CG-CE2 3.67Å; M58-F145 HydrophobicContact CG-CG 3.91Å; M58-F145 HydrophobicContact CG-CZ 4.48Å; M58-I268 HydrophobicContact CE-CD1 3.45Å; M58-I268 VanDerWaalsContact CE-CD1 3.45Å; M58-I268 HydrophobicContact CE-CG1 4.19Å; M58-I268 HydrophobicContact SD-CD1 3.91Å; M58-I268 HydrophobicContact SD-CG1 3.97Å; M58-T269 HydrophobicContact CB-CG2 3.64Å; M58-T269 HydrophobicContact CG-CG2 4.21Å; M58-T269 HydrophobicContact SD-CG2 3.74Å
59	E	97.9	Very high	96.4	Very high	56 Å²	56	57 Å²	57	26%	0.262	30%	0.299	S	S	.	.	H	α-helix	trans	-58.8	-46.6	174.6	-178.4	166.3	176.2	0	0	111.9	A55 T56 K61 V62 K63 F145 W146	A55-E59 WeakPolarHBondContact O-CB 3.33Å; A55-E59 PolarHBondContact O-N 3.4Å; T56-E59 WeakPolarHBondContact O-CB 3.39Å; T56-E59 PolarHBondContact O-N 3.03Å; E59-K61 VanDerWaalsContact C-N 3.35Å; E59-K61 PolarHBondContact O-N 3.46Å; E59-V62 PolarHBondContact O-N 3.46Å; E59-K63 HydrophobicContact CG-CD 4.12Å; E59-K63 PolarHBondContact O-N 3.33Å; E59-K63 IonicContact OE1-NZ 3.17Å; E59-K63 PolarHBondContact OE1-NZ 3.15Å; E59-F145 HydrophobicContact CB-CE1 3.77Å; E59-F145 HydrophobicContact CB-CZ 3.68Å; E59-F145 HydrophobicContact CG-CE1 4.22Å; E59-W146 HydrophobicContact CG-CH2 3.6Å; E59-W146 HydrophobicContact CG-CZ2 4.45Å; E59-W146 HydrophobicContact CG-CZ3 4.16Å
60	E	96.8	Very high	96.3	Very high	128 Å²	128	57.8 Å²	57.8	60%	0.598	30%	0.302	S	S	*	.	H	α-helix	trans	-59.3	-45.5	174.9	-70.3	173.4	178.6	0	0	111.3	T56 K57 M58 V62 K63 G64	T56-E60 PolarHBondContact O-N 3.25Å; T56-E60 VanDerWaalsContact O-N 3.08Å; K57-E60 PolarHBondContact O-N 3.15Å; M58-E60 PolarHBondContact O-N 3.43Å; E60-V62 PolarHBondContact O-N 3.47Å; E60-K63 PolarHBondContact O-N 2.9Å; E60-G64 WeakPolarHBondContact O-CA 3.41Å; E60-G64 PolarHBondContact O-N 3.23Å
61	K	95.9	Very high	96.2	Very high	25 Å²	25	58.9 Å²	58.9	11%	0.109	31%	0.307	C	S	.	.	H	α-helix	trans	-66.2	-37.2	178.4	-162.2	169.4	-178	166.2	0	112.4	K57 M58 E59 T65 Y66 I268 Q271 L273	K57-K61 PolarHBondContact O-N 3.09Å; M58-K61 PolarHBondContact O-N 2.81Å; E59-K61 VanDerWaalsContact C-N 3.35Å; E59-K61 PolarHBondContact O-N 3.46Å; K61-T65 WeakPolarHBondContact O-CA 3.31Å; K61-T65 WeakPolarHBondContact O-CB 3.45Å; K61-T65 PolarHBondContact O-N 3.07Å; K61-Y66 HydrophobicContact CB-CD2 4.42Å; K61-Y66 HydrophobicContact CB-CE2 4.29Å; K61-Y66 HydrophobicContact CD-CD2 4.5Å; K61-Y66 HydrophobicContact CD-CE2 3.63Å; K61-Y66 WeakPolarHBondContact CE-OH 3.49Å; K61-Y66 HydrophobicContact CG-CD2 3.92Å; K61-Y66 HydrophobicContact CG-CE2 3.53Å; K61-Y66 PolarHBondContact O-N 3.37Å; K61-I268 PolarHBondContact NZ-O 3.17Å; K61-Q271 PolarHBondContact NZ-O 3.1Å; K61-L273 VanDerWaalsContact CE-CD1 3.47Å
62	V	97.3	Very high	96.1	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.338	C	S	.	.	I	π-helix	trans	-63.8	-51.8	175.2	166.8	0	0	0	0	110.6	M58 E59 E60 Y66 L67 F145 W146	M58-V62 HydrophobicContact CE-CG2 3.74Å; M58-V62 HydrophobicContact CG-CG2 4.26Å; M58-V62 WeakPolarHBondContact O-CB 3.44Å; M58-V62 VanDerWaalsContact O-CG2 3.27Å; M58-V62 WeakPolarHBondContact O-CG2 3.33Å; M58-V62 PolarHBondContact O-N 3.05Å; M58-V62 HydrophobicContact SD-CG2 4.47Å; E59-V62 PolarHBondContact O-N 3.46Å; E60-V62 PolarHBondContact O-N 3.47Å; V62-Y66 HydrophobicContact CG2-CD2 4.19Å; V62-Y66 PolarHBondContact O-N 3.3Å; V62-L67 HydrophobicContact CG1-CB 4.48Å; V62-L67 VanDerWaalsContact O-CB 3.23Å; V62-L67 WeakPolarHBondContact O-CB 3.27Å; V62-L67 PolarHBondContact O-N 3.39Å; V62-F145 HydrophobicContact CB-CD1 4.21Å; V62-F145 HydrophobicContact CG1-CD1 4.35Å; V62-F145 HydrophobicContact CG2-CB 3.87Å; V62-F145 HydrophobicContact CG2-CD1 3.79Å; V62-F145 HydrophobicContact CG2-CG 3.89Å; V62-W146 HydrophobicContact CG1-CZ2 3.98Å
63	K	96.8	Very high	95.9	Very high	93 Å²	93	71.9 Å²	71.9	40%	0.404	35%	0.35	S	S	.	.	I	π-helix	trans	-68.1	-40.5	-179.9	-73.2	175.1	167.8	167.3	0	112.6	E59 E60 K68 W146	E59-K63 HydrophobicContact CG-CD 4.12Å; E59-K63 PolarHBondContact O-N 3.33Å; E59-K63 IonicContact OE1-NZ 3.17Å; E59-K63 PolarHBondContact OE1-NZ 3.15Å; E60-K63 PolarHBondContact O-N 2.9Å; K63-K68 WeakPolarHBondContact O-CE 3.49Å; K63-W146 HydrophobicContact CG-CZ2 4.09Å
64	G	95.6	Very high	95.6	Very high	36 Å²	36	71 Å²	71	37%	0.371	34%	0.341	S	S	.	.	I	π-helix	trans	-75.9	-36.1	-175.6	0	0	0	0	0	113.5	E60 K68	E60-G64 WeakPolarHBondContact O-CA 3.41Å; E60-G64 PolarHBondContact O-N 3.23Å; G64-K68 WeakPolarHBondContact O-CD 3.23Å; G64-K68 WeakPolarHBondContact O-CE 3.45Å; G64-K68 PolarHBondContact O-NZ 3.12Å; G64-K68 VanDerWaalsContact O-NZ 3.12Å
65	T	94.9	Very high	95.4	Very high	38 Å²	38	71.4 Å²	71.4	23%	0.233	34%	0.342	C	S	.	.	I	π-helix	trans	-131.9	-63	-167.1	-50.6	0	0	0	0	113.6	K61 K68 K69 L273	K61-T65 WeakPolarHBondContact O-CA 3.31Å; K61-T65 WeakPolarHBondContact O-CB 3.45Å; K61-T65 PolarHBondContact O-N 3.07Å; T65-K68 PolarHBondContact O-N 3.19Å; T65-K69 HydrophobicContact CG2-CD 3.93Å; T65-K69 WeakPolarHBondContact O-CG 3.32Å; T65-K69 PolarHBondContact O-N 3.29Å; T65-K69 VanDerWaalsContact O-N 3.08Å; T65-L273 HydrophobicContact CG2-CD1 3.9Å
66	Y	96.3	Very high	95.3	Very high	20 Å²	20	74.7 Å²	74.7	8%	0.078	35%	0.352	C	S	.	.	I	π-helix	trans	-64.5	-49.3	-167.5	-68.8	-63.4	0	0	0	112.3	M58 K61 V62 K68 K69 E70 H141 I268	M58-Y66 HydrophobicContact CE-CD2 3.89Å; M58-Y66 HydrophobicContact CE-CE2 3.71Å; M58-Y66 HydrophobicContact SD-CE2 4.24Å; K61-Y66 HydrophobicContact CB-CD2 4.42Å; K61-Y66 HydrophobicContact CB-CE2 4.29Å; K61-Y66 HydrophobicContact CD-CD2 4.5Å; K61-Y66 HydrophobicContact CD-CE2 3.63Å; K61-Y66 WeakPolarHBondContact CE-OH 3.49Å; K61-Y66 HydrophobicContact CG-CD2 3.92Å; K61-Y66 HydrophobicContact CG-CE2 3.53Å; K61-Y66 PolarHBondContact O-N 3.37Å; V62-Y66 HydrophobicContact CG2-CD2 4.19Å; V62-Y66 PolarHBondContact O-N 3.3Å; Y66-K68 VanDerWaalsContact C-N 3.29Å; Y66-K68 PolarHBondContact O-N 2.61Å; Y66-K69 PolarHBondContact O-N 2.94Å; Y66-K69 VanDerWaalsContact O-N 3.07Å; Y66-E70 WeakPolarHBondContact O-CB 3.5Å; Y66-E70 VanDerWaalsContact O-CG 3.28Å; Y66-E70 WeakPolarHBondContact O-CG 3.38Å; Y66-E70 PolarHBondContact O-N 2.97Å; Y66-H141 HydrophobicContact CD1-CB 3.72Å; Y66-H141 AromaticContact CD1-CG 3.58Å; Y66-H141 AromaticContact CD1-ND1 3.39Å; Y66-H141 WeakPolarHBondContact CD1-ND1 3.36Å; Y66-H141 HydrophobicContact CD2-CB 3.85Å; Y66-H141 HydrophobicContact CE1-CB 4.18Å; Y66-H141 AromaticContact CE1-CD2 3.97Å; Y66-H141 AromaticContact CE1-CE1 3.65Å; Y66-H141 AromaticContact CE1-CG 3.6Å; Y66-H141 AromaticContact CE1-ND1 3.4Å; Y66-H141 WeakPolarHBondContact CE1-ND1 3.29Å; Y66-H141 AromaticContact CE1-NE2 3.97Å; Y66-H141 HydrophobicContact CE2-CB 4.27Å; Y66-H141 HydrophobicContact CG-CB 3.56Å; Y66-H141 AromaticContact CG-CG 3.93Å; Y66-H141 AromaticContact CZ-CD2 3.96Å; Y66-H141 AromaticContact CZ-CG 3.95Å; Y66-I268 HydrophobicContact CE2-CD1 4.09Å
67	L	96.4	Very high	95.1	Very high	28 Å²	28	75.3 Å²	75.3	15%	0.147	35%	0.347	C	S	.	.	H	α-helix	trans	-60.1	-43.1	-177.9	-175.5	60.8	0	0	0	110.7	V62 K69 E70 M71 F75 W79 S142	V62-L67 HydrophobicContact CG1-CB 4.48Å; V62-L67 VanDerWaalsContact O-CB 3.23Å; V62-L67 WeakPolarHBondContact O-CB 3.27Å; V62-L67 PolarHBondContact O-N 3.39Å; L67-K69 VanDerWaalsContact C-N 3.35Å; L67-K69 PolarHBondContact O-N 2.69Å; L67-E70 PolarHBondContact O-N 3.05Å; L67-M71 HydrophobicContact CD1-CG 4.01Å; L67-M71 HydrophobicContact CD1-SD 4.29Å; L67-M71 HydrophobicContact CG-CG 4.18Å; L67-M71 WeakPolarHBondContact O-CB 3.37Å; L67-M71 WeakPolarHBondContact O-CG 3.46Å; L67-M71 PolarHBondContact O-N 3.08Å; L67-F75 HydrophobicContact CD1-CE1 3.78Å; L67-F75 HydrophobicContact CD1-CZ 4.14Å; L67-W79 HydrophobicContact CD1-CD2 4.48Å; L67-S142 WeakPolarHBondContact CA-OG 3.3Å; L67-S142 PolarHBondContact N-OG 2.96Å; L67-S142 VanDerWaalsContact N-OG 3.09Å
68	K	96.1	Very high	94.8	Very high	152 Å²	152	69.2 Å²	69.2	66%	0.661	32%	0.321	S	S	*	.	H	α-helix	trans	-60.7	-42.3	177	-61.5	-178.2	-169.7	161.7	0	112.3	K63 G64 T65 Y66	K63-K68 WeakPolarHBondContact O-CE 3.49Å; G64-K68 WeakPolarHBondContact O-CD 3.23Å; G64-K68 WeakPolarHBondContact O-CE 3.45Å; G64-K68 PolarHBondContact O-NZ 3.12Å; G64-K68 VanDerWaalsContact O-NZ 3.12Å; T65-K68 PolarHBondContact O-N 3.19Å; Y66-K68 VanDerWaalsContact C-N 3.29Å; Y66-K68 PolarHBondContact O-N 2.61Å
69	K	95.6	Very high	94.8	Very high	128 Å²	128	69.9 Å²	69.9	56%	0.557	32%	0.323	S	S	*	.	H	α-helix	trans	-70.7	-34.4	178.1	-72.1	-178.1	178.6	179.5	0	112.8	T65 Y66 L67 R72	T65-K69 HydrophobicContact CG2-CD 3.93Å; T65-K69 WeakPolarHBondContact O-CG 3.32Å; T65-K69 PolarHBondContact O-N 3.29Å; T65-K69 VanDerWaalsContact O-N 3.08Å; Y66-K69 PolarHBondContact O-N 2.94Å; Y66-K69 VanDerWaalsContact O-N 3.07Å; L67-K69 VanDerWaalsContact C-N 3.35Å; L67-K69 PolarHBondContact O-N 2.69Å; K69-R72 PolarHBondContact O-NE 2.99Å
70	E	95.9	Very high	94.6	Very high	15 Å²	15	72.1 Å²	72.1	7%	0.07	33%	0.333	C	S	.	.	H	α-helix	trans	-81.3	-22.1	-177.8	-70.9	172.8	171.6	0	0	112.7	Y66 L67 R72 F75 F140 H141 S142	Y66-E70 WeakPolarHBondContact O-CB 3.5Å; Y66-E70 VanDerWaalsContact O-CG 3.28Å; Y66-E70 WeakPolarHBondContact O-CG 3.38Å; Y66-E70 PolarHBondContact O-N 2.97Å; L67-E70 PolarHBondContact O-N 3.05Å; E70-R72 PolarHBondContact O-N 3.23Å; E70-F75 HydrophobicContact CB-CD1 3.97Å; E70-F75 HydrophobicContact CB-CD2 4.24Å; E70-F75 HydrophobicContact CB-CE1 4.07Å; E70-F75 HydrophobicContact CB-CE2 4.31Å; E70-F75 HydrophobicContact CB-CG 4.09Å; E70-F75 HydrophobicContact CB-CZ 4.24Å; E70-F75 VanDerWaalsContact O-CB 3.27Å; E70-F75 WeakPolarHBondContact O-CB 3.07Å; E70-F75 WeakPolarHBondContact O-CD1 3.41Å; E70-F75 WeakPolarHBondContact O-CG 3.14Å; E70-F140 PolarHBondContact OE1-N 3.35Å; E70-H141 WeakPolarHBondContact OE1-CB 3.4Å; E70-H141 IonicContact OE1-CG 2.74Å; E70-H141 PolarHBondContact OE1-N 2.05Å; E70-H141 IonicContact OE1-ND1 2.65Å; E70-S142 WeakPolarHBondContact OE2-CB 3.35Å; E70-S142 PolarHBondContact OE2-N 2.58Å; E70-S142 PolarHBondContact OE2-OG 3.31Å
71	M	95.4	Very high	94.5	Very high	59 Å²	59	68.9 Å²	68.9	29%	0.291	33%	0.329	S	S	.	.			trans	-69.3	58	179.3	-78.3	-64.4	-68.4	0	0	114.2	L67 F75 K76 W79 E80	L67-M71 HydrophobicContact CD1-CG 4.01Å; L67-M71 HydrophobicContact CD1-SD 4.29Å; L67-M71 HydrophobicContact CG-CG 4.18Å; L67-M71 WeakPolarHBondContact O-CB 3.37Å; L67-M71 WeakPolarHBondContact O-CG 3.46Å; L67-M71 PolarHBondContact O-N 3.08Å; M71-F75 HydrophobicContact SD-CD1 4.08Å; M71-F75 HydrophobicContact SD-CE1 4.05Å; M71-K76 HydrophobicContact CE-CB 4.43Å; M71-K76 HydrophobicContact CE-CG 3.91Å; M71-W79 HydrophobicContact SD-CB 3.87Å; M71-W79 VanDerWaalsContact SD-CD1 3.57Å; M71-W79 HydrophobicContact SD-CG 3.92Å; M71-E80 HydrophobicContact CE-CG 4.13Å
72	R	93.8	Very high	94.5	Very high	174 Å²	174	67.9 Å²	67.9	66%	0.657	33%	0.325	S	S	*	.	S	Bend	trans	-141.6	162.3	175.7	56.3	-175.6	170.3	162.2	2.3	110.3	K69 E70 D74 F75 K76	K69-R72 PolarHBondContact O-NE 2.99Å; E70-R72 PolarHBondContact O-N 3.23Å; R72-D74 PolarHBondContact O-N 3.05Å; R72-F75 PolarHBondContact O-N 3.39Å; R72-K76 PolarHBondContact O-N 2.9Å
73	K	89.8	Confident	94.5	Very high	173 Å²	173	72.9 Å²	72.9	75%	0.752	35%	0.347	S	S	*	.	H	α-helix	trans	47	-129.3	175	-58.2	-175	177.6	-176.6	0	112	K76 K77	K73-K76 PolarHBondContact O-N 3.37Å; K73-K77 PolarHBondContact O-N 3.33Å
74	D	89.1	Confident	94.5	Very high	107 Å²	107	76.5 Å²	76.5	57%	0.572	36%	0.363	S	S	*	.	H	α-helix	trans	-74.8	-31.4	-171.1	-56.8	-35.6	0	0	0	113	R72 K76 K77 M78	R72-D74 PolarHBondContact O-N 3.05Å; D74-K76 VanDerWaalsContact C-N 3.33Å; D74-K76 PolarHBondContact O-N 3.08Å; D74-K77 PolarHBondContact O-N 2.93Å; D74-K77 IonicContact OD1-NZ 3.58Å; D74-K77 PolarHBondContact OD1-NZ 2.79Å; D74-M78 WeakPolarHBondContact O-CB 3.44Å; D74-M78 PolarHBondContact O-N 3.1Å
75	F	92.3	Very high	94.6	Very high	15 Å²	15	75.3 Å²	75.3	7%	0.066	35%	0.349	C	S	.	.	H	α-helix	trans	-61.5	-43.9	173.4	-174.7	-75.1	0	0	0	110.9	L67 E70 M71 R72 K77 M78 W79 F140 L143	L67-F75 HydrophobicContact CD1-CE1 3.78Å; L67-F75 HydrophobicContact CD1-CZ 4.14Å; E70-F75 HydrophobicContact CB-CD1 3.97Å; E70-F75 HydrophobicContact CB-CD2 4.24Å; E70-F75 HydrophobicContact CB-CE1 4.07Å; E70-F75 HydrophobicContact CB-CE2 4.31Å; E70-F75 HydrophobicContact CB-CG 4.09Å; E70-F75 HydrophobicContact CB-CZ 4.24Å; E70-F75 VanDerWaalsContact O-CB 3.27Å; E70-F75 WeakPolarHBondContact O-CB 3.07Å; E70-F75 WeakPolarHBondContact O-CD1 3.41Å; E70-F75 WeakPolarHBondContact O-CG 3.14Å; M71-F75 HydrophobicContact SD-CD1 4.08Å; M71-F75 HydrophobicContact SD-CE1 4.05Å; R72-F75 PolarHBondContact O-N 3.39Å; F75-K77 PolarHBondContact O-N 3.23Å; F75-M78 HydrophobicContact CD1-CE 4.22Å; F75-M78 HydrophobicContact CD2-CE 3.55Å; F75-M78 HydrophobicContact CE1-CE 4.25Å; F75-M78 HydrophobicContact CE2-CE 3.61Å; F75-M78 HydrophobicContact CG-CE 3.86Å; F75-M78 HydrophobicContact CZ-CE 3.95Å; F75-M78 PolarHBondContact O-N 2.74Å; F75-W79 HydrophobicContact CD1-CB 4.29Å; F75-W79 HydrophobicContact CE1-CB 4.04Å; F75-W79 HydrophobicContact CE1-CD2 4.31Å; F75-W79 HydrophobicContact CE1-CE3 4.41Å; F75-W79 HydrophobicContact CE1-CG 4.17Å; F75-W79 HydrophobicContact CZ-CE3 4.22Å; F75-W79 VanDerWaalsContact O-CB 3.29Å; F75-W79 WeakPolarHBondContact O-CB 3.45Å; F75-W79 PolarHBondContact O-N 2.62Å; F75-F140 AromaticContact CD2-CD1 3.69Å; F75-F140 HydrophobicContact CD2-CD1 3.69Å; F75-F140 AromaticContact CD2-CE1 3.95Å; F75-F140 HydrophobicContact CD2-CE1 3.95Å; F75-F140 HydrophobicContact CE2-CD1 4.01Å; F75-L143 HydrophobicContact CE2-CB 4.08Å
76	K	94.3	Very high	94.8	Very high	88 Å²	88	73.5 Å²	73.5	38%	0.383	34%	0.338	S	S	.	.	H	α-helix	trans	-58.1	-50	176.2	179.6	174.4	-179.9	-176.6	0	111.7	M71 R72 K73 D74 M78 W79 E80	M71-K76 HydrophobicContact CE-CB 4.43Å; M71-K76 HydrophobicContact CE-CG 3.91Å; R72-K76 PolarHBondContact O-N 2.9Å; K73-K76 PolarHBondContact O-N 3.37Å; D74-K76 VanDerWaalsContact C-N 3.33Å; D74-K76 PolarHBondContact O-N 3.08Å; K76-M78 PolarHBondContact O-N 2.72Å; K76-W79 PolarHBondContact O-N 2.97Å; K76-E80 VanDerWaalsContact CE-CD 3.44Å; K76-E80 WeakPolarHBondContact CE-OE1 3.29Å; K76-E80 WeakPolarHBondContact CE-OE2 3.37Å; K76-E80 HydrophobicContact CG-CG 4.27Å; K76-E80 IonicContact NZ-OE1 3.85Å; K76-E80 WeakPolarHBondContact O-CB 3.41Å; K76-E80 WeakPolarHBondContact O-CG 3.29Å; K76-E80 PolarHBondContact O-N 2.75Å
77	K	92.3	Very high	94.9	Very high	111 Å²	111	76.1 Å²	76.1	48%	0.483	35%	0.35	S	S	.	.	H	α-helix	trans	-57.2	-51.6	-180	-67.2	174.1	-172.4	163.7	0	111.3	K73 D74 F75 W79 E80 A81	K73-K77 PolarHBondContact O-N 3.33Å; D74-K77 PolarHBondContact O-N 2.93Å; D74-K77 IonicContact OD1-NZ 3.58Å; D74-K77 PolarHBondContact OD1-NZ 2.79Å; F75-K77 PolarHBondContact O-N 3.23Å; K77-W79 PolarHBondContact O-N 3.03Å; K77-E80 PolarHBondContact O-N 2.86Å; K77-A81 VanDerWaalsContact O-CB 3.24Å; K77-A81 WeakPolarHBondContact O-CB 3.3Å; K77-A81 PolarHBondContact O-N 3.04Å
78	M	92.5	Very high	94.9	Very high	8 Å²	8	80.5 Å²	80.5	4%	0.039	37%	0.368	C	S	.	.	H	α-helix	trans	-55.4	-52.4	176.3	165.7	-161	78.9	0	0	111.7	D74 F75 K76 A81 A82 A110 V119 L143	D74-M78 WeakPolarHBondContact O-CB 3.44Å; D74-M78 PolarHBondContact O-N 3.1Å; F75-M78 HydrophobicContact CD1-CE 4.22Å; F75-M78 HydrophobicContact CD2-CE 3.55Å; F75-M78 HydrophobicContact CE1-CE 4.25Å; F75-M78 HydrophobicContact CE2-CE 3.61Å; F75-M78 HydrophobicContact CG-CE 3.86Å; F75-M78 HydrophobicContact CZ-CE 3.95Å; F75-M78 PolarHBondContact O-N 2.74Å; K76-M78 PolarHBondContact O-N 2.72Å; M78-A81 PolarHBondContact O-N 3.28Å; M78-A82 PolarHBondContact O-N 3.2Å; M78-A82 VanDerWaalsContact O-N 3.15Å; M78-A110 HydrophobicContact CG-CB 3.84Å; M78-A110 HydrophobicContact SD-CB 4.26Å; M78-V119 HydrophobicContact CB-CG2 3.71Å; M78-V119 HydrophobicContact CG-CB 4.21Å; M78-V119 HydrophobicContact CG-CG1 3.77Å; M78-V119 HydrophobicContact CG-CG2 3.49Å; M78-V119 VanDerWaalsContact CG-CG2 3.49Å; M78-V119 HydrophobicContact SD-CB 4.01Å; M78-V119 HydrophobicContact SD-CG1 3.09Å; M78-V119 WeakPolarHBondContact SD-CG1 3.16Å; M78-V119 HydrophobicContact SD-CG2 3.73Å; M78-L143 HydrophobicContact CE-CD2 4.2Å; M78-L143 HydrophobicContact SD-CD2 4.12Å
79	W	95.7	Very high	95	Very high	13 Å²	13	73.9 Å²	73.9	5%	0.049	34%	0.34	C	S	.	.	H	α-helix	trans	-64.5	-45.1	-174.6	-165.4	-107.5	0	0	0	110.6	L67 M71 F75 K76 K77 A82 K83 Q106 A107 L143 W146	L67-W79 HydrophobicContact CD1-CD2 4.48Å; M71-W79 HydrophobicContact SD-CB 3.87Å; M71-W79 VanDerWaalsContact SD-CD1 3.57Å; M71-W79 HydrophobicContact SD-CG 3.92Å; F75-W79 HydrophobicContact CD1-CB 4.29Å; F75-W79 HydrophobicContact CE1-CB 4.04Å; F75-W79 HydrophobicContact CE1-CD2 4.31Å; F75-W79 HydrophobicContact CE1-CE3 4.41Å; F75-W79 HydrophobicContact CE1-CG 4.17Å; F75-W79 HydrophobicContact CZ-CE3 4.22Å; F75-W79 VanDerWaalsContact O-CB 3.29Å; F75-W79 WeakPolarHBondContact O-CB 3.45Å; F75-W79 PolarHBondContact O-N 2.62Å; K76-W79 PolarHBondContact O-N 2.97Å; K77-W79 PolarHBondContact O-N 3.03Å; W79-A82 PolarHBondContact O-N 2.98Å; W79-K83 PolarHBondContact O-N 2.72Å; W79-Q106 VanDerWaalsContact CD1-NE2 3.31Å; W79-Q106 HydrophobicContact CD2-CG 4.16Å; W79-Q106 HydrophobicContact CE3-CG 4.41Å; W79-Q106 HydrophobicContact CH2-CB 4.16Å; W79-Q106 HydrophobicContact CH2-CG 4.28Å; W79-Q106 HydrophobicContact CZ2-CB 4.1Å; W79-Q106 HydrophobicContact CZ2-CG 4.02Å; W79-Q106 HydrophobicContact CZ3-CG 4.47Å; W79-Q106 PolarHBondContact O-NE2 3.35Å; W79-A107 HydrophobicContact CH2-CB 4.1Å; W79-A107 HydrophobicContact CZ3-CB 4.04Å; W79-L143 HydrophobicContact CZ3-CD1 4.29Å; W79-W146 AromaticContact CH2-CD1 3.77Å
80	E	95.4	Very high	95.1	Very high	103 Å²	103	69.8 Å²	69.8	48%	0.481	32%	0.323	S	S	.	.	H	α-helix	trans	-64.4	-40.9	177.3	-71	178.8	164.7	0	0	112.3	M71 K76 K77 A82 K83	M71-E80 HydrophobicContact CE-CG 4.13Å; K76-E80 VanDerWaalsContact CE-CD 3.44Å; K76-E80 WeakPolarHBondContact CE-OE1 3.29Å; K76-E80 WeakPolarHBondContact CE-OE2 3.37Å; K76-E80 HydrophobicContact CG-CG 4.27Å; K76-E80 IonicContact NZ-OE1 3.85Å; K76-E80 WeakPolarHBondContact O-CB 3.41Å; K76-E80 WeakPolarHBondContact O-CG 3.29Å; K76-E80 PolarHBondContact O-N 2.75Å; K77-E80 PolarHBondContact O-N 2.86Å; E80-A82 PolarHBondContact O-N 3.1Å; E80-K83 VanDerWaalsContact O-CB 3.22Å; E80-K83 WeakPolarHBondContact O-CB 3.46Å; E80-K83 PolarHBondContact O-N 3.36Å; E80-K83 VanDerWaalsContact O-N 3.08Å
81	A	93.9	Very high	95.2	Very high	61 Å²	61	78 Å²	78	50%	0.504	36%	0.358	S	S	.	.	H	α-helix	trans	-62.4	-27.4	176.5	0	0	0	0	0	113.2	K77 M78	K77-A81 VanDerWaalsContact O-CB 3.24Å; K77-A81 WeakPolarHBondContact O-CB 3.3Å; K77-A81 PolarHBondContact O-N 3.04Å; M78-A81 PolarHBondContact O-N 3.28Å
82	A	96	Very high	95.2	Very high	4 Å²	4	77.6 Å²	77.6	3%	0.033	36%	0.356	C	S	.	.	H	α-helix	trans	-79.6	-16.9	176.5	0	0	0	0	0	113.7	M78 W79 E80 K84 C85 A86 Q106 C109 A110	M78-A82 PolarHBondContact O-N 3.2Å; M78-A82 VanDerWaalsContact O-N 3.15Å; W79-A82 PolarHBondContact O-N 2.98Å; E80-A82 PolarHBondContact O-N 3.1Å; A82-K84 PolarHBondContact O-N 3.4Å; A82-C85 WeakPolarHBondContact O-CB 3.41Å; A82-C85 PolarHBondContact O-N 2.87Å; A82-C85 VanDerWaalsContact O-N 3.09Å; A82-A86 PolarHBondContact O-N 2.87Å; A82-Q106 HydrophobicContact CB-CG 3.79Å; A82-C109 HydrophobicContact CB-CB 3.95Å; A82-A110 HydrophobicContact CB-CB 3.81Å
83	K	97	Very high	95.3	Very high	104 Å²	104	74 Å²	74	45%	0.452	34%	0.342	S	S	.	.	H	α-helix	trans	-57	-49.4	-173.5	-174.2	179.2	176.8	-177.8	0	113.4	W79 E80 C85 A86 E87	W79-K83 PolarHBondContact O-N 2.72Å; E80-K83 VanDerWaalsContact O-CB 3.22Å; E80-K83 WeakPolarHBondContact O-CB 3.46Å; E80-K83 PolarHBondContact O-N 3.36Å; E80-K83 VanDerWaalsContact O-N 3.08Å; K83-C85 VanDerWaalsContact C-N 3.26Å; K83-C85 PolarHBondContact O-N 3.28Å; K83-A86 PolarHBondContact O-N 3.4Å; K83-A86 VanDerWaalsContact O-N 3.16Å; K83-E87 WeakPolarHBondContact CE-OE1 3.35Å; K83-E87 WeakPolarHBondContact CG-OE1 3.28Å; K83-E87 WeakPolarHBondContact O-CG 3.4Å; K83-E87 PolarHBondContact O-N 2.96Å
84	K	97.2	Very high	95.5	Very high	170 Å²	170	69.2 Å²	69.2	74%	0.739	32%	0.323	S	S	*	.	H	α-helix	trans	-63.1	-33.7	179.4	-174.6	176.4	-178.9	176.8	0	112.2	A82 K88	A82-K84 PolarHBondContact O-N 3.4Å; K84-K88 PolarHBondContact O-N 2.82Å
85	C	97.1	Very high	95.7	Very high	11 Å²	11	75.4 Å²	75.4	7%	0.074	34%	0.338	C	S	.	.	H	α-helix	trans	-65	-51.6	173.6	176.2	0	0	0	0	110	A82 K83 E87 K88 K89 C109 K218	A82-C85 WeakPolarHBondContact O-CB 3.41Å; A82-C85 PolarHBondContact O-N 2.87Å; A82-C85 VanDerWaalsContact O-N 3.09Å; K83-C85 VanDerWaalsContact C-N 3.26Å; K83-C85 PolarHBondContact O-N 3.28Å; C85-E87 VanDerWaalsContact C-N 3.33Å; C85-E87 PolarHBondContact O-N 3.44Å; C85-K88 WeakPolarHBondContact O-CB 3.27Å; C85-K88 PolarHBondContact O-N 3.03Å; C85-K88 VanDerWaalsContact O-N 3.07Å; C85-K89 VanDerWaalsContact O-CG 3.32Å; C85-K89 WeakPolarHBondContact O-CG 3.38Å; C85-K89 PolarHBondContact O-N 3.07Å; C85-C109 VanDerWaalsContact C-SG 3.53Å; C85-C109 HydrophobicContact CB-CB 3.56Å; C85-C109 WeakPolarHBondContact CB-SG 3.27Å; C85-C109 WeakPolarHBondContact SG-CB 3.45Å; C85-C109 CovalentContact SG-SG 2.04Å; C85-C109 PolarHBondContact SG-SG 3.01Å; C85-K218 HydrophobicContact CB-CD 3.84Å
86	A	98.3	Very high	95.7	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-57.9	-41.6	179.1	0	0	0	0	0	113.3	A82 K83 K88 K89 I90 K102 L105 Q106	A82-A86 PolarHBondContact O-N 2.87Å; K83-A86 PolarHBondContact O-N 3.4Å; K83-A86 VanDerWaalsContact O-N 3.16Å; A86-K88 VanDerWaalsContact C-N 3.27Å; A86-K88 PolarHBondContact O-N 3.29Å; A86-K89 PolarHBondContact O-N 2.87Å; A86-I90 PolarHBondContact O-N 3.18Å; A86-K102 HydrophobicContact CB-CG 4.11Å; A86-L105 HydrophobicContact CB-CB 4.34Å; A86-Q106 HydrophobicContact CB-CB 3.65Å; A86-Q106 HydrophobicContact CB-CG 4.19Å
87	E	98.3	Very high	95.8	Very high	74 Å²	74	72 Å²	72	35%	0.346	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-31.8	177.2	-74	171.4	177.3	0	0	113.6	K83 C85 I90 K102	K83-E87 WeakPolarHBondContact CE-OE1 3.35Å; K83-E87 WeakPolarHBondContact CG-OE1 3.28Å; K83-E87 WeakPolarHBondContact O-CG 3.4Å; K83-E87 PolarHBondContact O-N 2.96Å; C85-E87 VanDerWaalsContact C-N 3.33Å; C85-E87 PolarHBondContact O-N 3.44Å; E87-I90 WeakPolarHBondContact O-CG2 3.34Å; E87-K102 VanDerWaalsContact CG-CE 3.47Å; E87-K102 IonicContact OE1-NZ 2.62Å; E87-K102 PolarHBondContact OE1-NZ 3.42Å
88	K	97.8	Very high	96	Very high	120 Å²	120	72.2 Å²	72.2	52%	0.522	34%	0.336	S	S	.	.	H	α-helix	trans	-73.8	-50	170.4	178.6	176.2	173.5	174.6	0	110.2	K84 C85 A86 I90 K91 E92	K84-K88 PolarHBondContact O-N 2.82Å; C85-K88 WeakPolarHBondContact O-CB 3.27Å; C85-K88 PolarHBondContact O-N 3.03Å; C85-K88 VanDerWaalsContact O-N 3.07Å; A86-K88 VanDerWaalsContact C-N 3.27Å; A86-K88 PolarHBondContact O-N 3.29Å; K88-I90 VanDerWaalsContact C-N 3.34Å; K88-I90 PolarHBondContact O-N 3.48Å; K88-K91 PolarHBondContact O-N 3.46Å; K88-E92 WeakPolarHBondContact CE-OE1 3.47Å; K88-E92 IonicContact NZ-OE1 2.85Å; K88-E92 PolarHBondContact O-N 2.92Å
89	K	97.8	Very high	96.2	Very high	14 Å²	14	74.9 Å²	74.9	6%	0.061	36%	0.359	C	S	.	.	H	α-helix	trans	-64.1	-33.5	-173.3	-63.6	-43.4	176.7	177.7	0	114.1	C85 A86 K91 E92 R93 L105 K215 Y216	C85-K89 VanDerWaalsContact O-CG 3.32Å; C85-K89 WeakPolarHBondContact O-CG 3.38Å; C85-K89 PolarHBondContact O-N 3.07Å; A86-K89 PolarHBondContact O-N 2.87Å; K89-K91 PolarHBondContact O-N 2.98Å; K89-E92 VanDerWaalsContact CD-OE2 3.28Å; K89-E92 WeakPolarHBondContact CD-OE2 3.47Å; K89-E92 IonicContact NZ-OE2 3.28Å; K89-E92 PolarHBondContact NZ-OE2 3.01Å; K89-E92 CarbonylContact O-C 3.56Å; K89-E92 PolarHBondContact O-N 3.03Å; K89-R93 PolarHBondContact O-N 3.32Å; K89-L105 HydrophobicContact CB-CB 4.33Å; K89-L105 HydrophobicContact CB-CD1 4.04Å; K89-L105 HydrophobicContact CB-CD2 4.19Å; K89-L105 HydrophobicContact CB-CG 4.44Å; K89-K215 WeakPolarHBondContact CD-O 3.46Å; K89-K215 WeakPolarHBondContact CE-O 3.2Å; K89-K215 PolarHBondContact NZ-O 3.46Å; K89-Y216 HydrophobicContact CB-CD1 4.21Å
90	I	98.1	Very high	96.3	Very high	42 Å²	42	74.2 Å²	74.2	22%	0.215	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-62.4	-31.8	179.4	-164.9	73.8	0	0	0	112.3	A86 E87 K88 E92 R93 L100 L105	A86-I90 PolarHBondContact O-N 3.18Å; E87-I90 WeakPolarHBondContact O-CG2 3.34Å; K88-I90 VanDerWaalsContact C-N 3.34Å; K88-I90 PolarHBondContact O-N 3.48Å; I90-E92 VanDerWaalsContact C-N 3.34Å; I90-R93 VanDerWaalsContact CD1-CZ 3.48Å; I90-R93 PolarHBondContact O-NE 3.05Å; I90-R93 VanDerWaalsContact O-NE 3.08Å; I90-L100 WeakPolarHBondContact CD1-O 3.48Å; I90-L105 HydrophobicContact CB-CD1 3.81Å; I90-L105 HydrophobicContact CD1-CD1 3.59Å; I90-L105 HydrophobicContact CG1-CD1 4.31Å
91	K	97	Very high	96.5	Very high	186 Å²	186	71.5 Å²	71.5	81%	0.809	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-80.4	-18.6	176.5	-56.3	179.2	-175	-177.7	0	112.6	K88 K89	K88-K91 PolarHBondContact O-N 3.46Å; K89-K91 PolarHBondContact O-N 2.98Å
92	E	95.4	Very high	96.7	Very high	52 Å²	52	72.1 Å²	72.1	24%	0.243	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-96.1	2.6	-179.2	-66.8	178.4	169	0	0	112.3	K88 K89 I90 E94 K215	K88-E92 WeakPolarHBondContact CE-OE1 3.47Å; K88-E92 IonicContact NZ-OE1 2.85Å; K88-E92 PolarHBondContact O-N 2.92Å; K89-E92 VanDerWaalsContact CD-OE2 3.28Å; K89-E92 WeakPolarHBondContact CD-OE2 3.47Å; K89-E92 IonicContact NZ-OE2 3.28Å; K89-E92 PolarHBondContact NZ-OE2 3.01Å; K89-E92 CarbonylContact O-C 3.56Å; K89-E92 PolarHBondContact O-N 3.03Å; I90-E92 VanDerWaalsContact C-N 3.34Å; E92-E94 PolarHBondContact O-N 2.57Å; E92-K215 HydrophobicContact CB-CD 4.27Å; E92-K215 WeakPolarHBondContact O-CE 3.39Å; E92-K215 PolarHBondContact O-NZ 3.39Å
93	R	95.8	Very high	96.8	Very high	97 Å²	97	73.8 Å²	73.8	37%	0.366	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-52.2	134.3	-178.1	-75.8	-177.2	-63.8	175.4	15.1	111.7	K89 I90 E98 L100 L105 Y216	K89-R93 PolarHBondContact O-N 3.32Å; I90-R93 VanDerWaalsContact CD1-CZ 3.48Å; I90-R93 PolarHBondContact O-NE 3.05Å; I90-R93 VanDerWaalsContact O-NE 3.08Å; R93-E98 PolarHBondContact NH1-O 3.3Å; R93-L100 WeakPolarHBondContact CD-O 3.37Å; R93-L100 PolarHBondContact NH1-O 2.96Å; R93-L105 HydrophobicContact CG-CD1 4.26Å; R93-Y216 WeakPolarHBondContact CA-OH 3.4Å; R93-Y216 HydrophobicContact CG-CE1 4.3Å
94	E	94.5	Very high	96.9	Very high	73 Å²	73	69.2 Å²	69.2	34%	0.341	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-83.5	157.8	176	-67.3	175.3	-159.6	0	0	110.6	E92 G96 D97 K214 Y216	E92-E94 PolarHBondContact O-N 2.57Å; E94-G96 PolarHBondContact O-N 2.95Å; E94-D97 WeakPolarHBondContact O-CB 3.06Å; E94-D97 PolarHBondContact O-N 3.39Å; E94-K214 WeakPolarHBondContact OE2-CD 3.2Å; E94-K214 IonicContact OE2-NZ 3.88Å; E94-K214 PolarHBondContact OE2-NZ 2.8Å; E94-Y216 PolarHBondContact N-OH 3.19Å
95	R	92.8	Very high	97	Very high	237 Å²	237	61.1 Å²	61.1	89%	0.894	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	131.6	174.5	-177.7	177.3	177.7	157.2	0.5	109.9	E98	R95-E98 WeakPolarHBondContact CA-OE1 2.95Å
96	G	92.9	Very high	97.1	Very high	33 Å²	33	61.2 Å²	61.2	34%	0.34	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	94	-9.5	-176.1	0	0	0	0	0	114.2	E94 E98 S157	E94-G96 PolarHBondContact O-N 2.95Å; G96-E98 WeakPolarHBondContact CA-OE2 3.36Å; G96-E98 VanDerWaalsContact N-CD 3.33Å; G96-E98 PolarHBondContact N-OE1 3.05Å; G96-E98 PolarHBondContact N-OE2 3.27Å; G96-S157 WeakPolarHBondContact O-CB 2.86Å; G96-S157 PolarHBondContact O-OG 3.45Å
97	D	96.3	Very high	97.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.29	C	S	.	.			trans	-105.4	18.8	178.8	-57.4	-15.1	0	0	0	112.8	E94 A99 L100 K214 Y216	E94-D97 WeakPolarHBondContact O-CB 3.06Å; E94-D97 PolarHBondContact O-N 3.39Å; D97-A99 PolarHBondContact O-N 3.4Å; D97-A99 VanDerWaalsContact O-N 3.12Å; D97-L100 HydrophobicContact CB-CD1 3.95Å; D97-L100 HydrophobicContact CB-CG 4.32Å; D97-L100 WeakPolarHBondContact O-CB 3.08Å; D97-L100 PolarHBondContact O-N 2.93Å; D97-K214 IonicContact OD1-NZ 2.94Å; D97-K214 PolarHBondContact OD1-NZ 3.07Å; D97-K214 WeakPolarHBondContact OD2-CD 3.33Å; D97-K214 WeakPolarHBondContact OD2-CE 3.44Å; D97-K214 IonicContact OD2-NZ 3.56Å; D97-K214 PolarHBondContact OD2-NZ 2.89Å; D97-Y216 WeakPolarHBondContact CB-OH 3.05Å; D97-Y216 VanDerWaalsContact OD2-CE2 3.26Å; D97-Y216 WeakPolarHBondContact OD2-CE2 3.49Å; D97-Y216 VanDerWaalsContact OD2-CZ 3.32Å; D97-Y216 PolarHBondContact OD2-OH 3.48Å
98	E	95.9	Very high	97.1	Very high	115 Å²	115	57.7 Å²	57.7	54%	0.537	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.9	-172.6	-64.4	79	-172.8	0	0	112.8	R93 R95 G96 L100	R93-E98 PolarHBondContact NH1-O 3.3Å; R95-E98 WeakPolarHBondContact CA-OE1 2.95Å; G96-E98 WeakPolarHBondContact CA-OE2 3.36Å; G96-E98 VanDerWaalsContact N-CD 3.33Å; G96-E98 PolarHBondContact N-OE1 3.05Å; G96-E98 PolarHBondContact N-OE2 3.27Å; E98-L100 VanDerWaalsContact C-N 3.26Å; E98-L100 PolarHBondContact O-N 3.42Å
99	A	97.4	Very high	97	Very high	63 Å²	63	52 Å²	52	52%	0.521	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.8	176.1	0	0	0	0	0	113.9	D97 T101 I153	D97-A99 PolarHBondContact O-N 3.4Å; D97-A99 VanDerWaalsContact O-N 3.12Å; A99-T101 PolarHBondContact O-N 3.27Å; A99-I153 HydrophobicContact CB-CD1 4.34Å; A99-I153 HydrophobicContact CB-CG1 4.37Å; A99-I153 HydrophobicContact CB-CG2 3.83Å
100	L	98.4	Very high	96.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.247	C	C	.	.			trans	-69.1	113.4	173.2	-69.1	-179.7	0	0	0	110.5	I90 R93 D97 E98 H104 L105 A150 I153 L154 Y216	I90-L100 WeakPolarHBondContact CD1-O 3.48Å; R93-L100 WeakPolarHBondContact CD-O 3.37Å; R93-L100 PolarHBondContact NH1-O 2.96Å; D97-L100 HydrophobicContact CB-CD1 3.95Å; D97-L100 HydrophobicContact CB-CG 4.32Å; D97-L100 WeakPolarHBondContact O-CB 3.08Å; D97-L100 PolarHBondContact O-N 2.93Å; E98-L100 VanDerWaalsContact C-N 3.26Å; E98-L100 PolarHBondContact O-N 3.42Å; L100-H104 HydrophobicContact CD2-CB 3.93Å; L100-L105 HydrophobicContact CB-CD2 4.47Å; L100-L105 HydrophobicContact CB-CG 4.41Å; L100-L105 HydrophobicContact CD1-CD2 4.02Å; L100-A150 HydrophobicContact CD2-CB 4.18Å; L100-I153 HydrophobicContact CD2-CB 4.04Å; L100-I153 HydrophobicContact CD2-CD1 4.26Å; L100-I153 HydrophobicContact CD2-CG2 3.78Å; L100-I153 HydrophobicContact CG-CG2 3.96Å; L100-L154 HydrophobicContact CD1-CD2 3.85Å; L100-L154 HydrophobicContact CD1-CG 4.19Å; L100-L154 HydrophobicContact CD2-CG 4.39Å; L100-Y216 HydrophobicContact CD1-CD2 4.03Å; L100-Y216 HydrophobicContact CD1-CE2 3.63Å
101	T	98.4	Very high	96.9	Very high	45 Å²	45	49.7 Å²	49.7	28%	0.276	24%	0.238	S	C	.	.			trans	-81.2	173.5	175.8	68.4	0	0	0	0	110.8	A99 D103 H104 L105	A99-T101 PolarHBondContact O-N 3.27Å; T101-D103 PolarHBondContact O-N 3.47Å; T101-D103 PolarHBondContact OG1-N 3.3Å; T101-H104 PolarHBondContact N-ND1 3.36Å; T101-H104 PolarHBondContact O-N 2.71Å; T101-H104 PolarHBondContact OG1-N 2.99Å; T101-H104 PolarHBondContact OG1-ND1 3.03Å; T101-L105 WeakPolarHBondContact O-CG 3.22Å; T101-L105 PolarHBondContact O-N 3.3Å; T101-L105 VanDerWaalsContact O-N 3.16Å
102	K	98.5	Very high	96.7	Very high	75 Å²	75	41.3 Å²	41.3	33%	0.326	20%	0.203	S	C	.	.	H	α-helix	trans	-59.7	-36.9	172.3	-172.2	177.9	178.3	174.3	0	111.6	A86 E87 L105 Q106	A86-K102 HydrophobicContact CB-CG 4.11Å; E87-K102 VanDerWaalsContact CG-CE 3.47Å; E87-K102 IonicContact OE1-NZ 2.62Å; E87-K102 PolarHBondContact OE1-NZ 3.42Å; K102-L105 PolarHBondContact O-N 2.83Å; K102-Q106 VanDerWaalsContact O-CB 3.27Å; K102-Q106 WeakPolarHBondContact O-CB 3.44Å; K102-Q106 PolarHBondContact O-N 3.35Å
103	D	98.6	Very high	96.4	Very high	38 Å²	38	40.9 Å²	40.9	20%	0.203	21%	0.208	C	C	.	.	H	α-helix	trans	-66.2	-42.4	179.1	-62.8	-39.8	0	0	0	111.8	T101 L105 Q106 A107 W146	T101-D103 PolarHBondContact O-N 3.47Å; T101-D103 PolarHBondContact OG1-N 3.3Å; D103-L105 VanDerWaalsContact C-N 3.35Å; D103-L105 PolarHBondContact O-N 3.44Å; D103-Q106 PolarHBondContact O-N 3.07Å; D103-A107 WeakPolarHBondContact O-CB 3.23Å; D103-A107 PolarHBondContact O-N 3.01Å; D103-W146 HydrophobicContact CB-CD2 3.81Å; D103-W146 HydrophobicContact CB-CE3 4.16Å; D103-W146 HydrophobicContact CB-CG 4.31Å; D103-W146 HydrophobicContact CB-CH2 4.06Å; D103-W146 HydrophobicContact CB-CZ2 3.75Å; D103-W146 HydrophobicContact CB-CZ3 4.27Å
104	H	98.8	Very high	95.2	Very high	9 Å²	9	38.3 Å²	38.3	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-56.8	-48.5	172.8	-63.9	142.1	0	0	0	111.6	L100 T101 A107 I108 W146 R149 A150 I153	L100-H104 HydrophobicContact CD2-CB 3.93Å; T101-H104 PolarHBondContact N-ND1 3.36Å; T101-H104 PolarHBondContact O-N 2.71Å; T101-H104 PolarHBondContact OG1-N 2.99Å; T101-H104 PolarHBondContact OG1-ND1 3.03Å; H104-A107 PolarHBondContact O-N 2.85Å; H104-I108 WeakPolarHBondContact O-CG1 3.34Å; H104-I108 PolarHBondContact O-N 2.85Å; H104-I108 VanDerWaalsContact O-N 3.07Å; H104-W146 AromaticContact CD2-CE3 3.4Å; H104-W146 VanDerWaalsContact CD2-CE3 3.4Å; H104-W146 AromaticContact CD2-CZ3 3.97Å; H104-W146 AromaticContact NE2-CE3 3.38Å; H104-W146 AromaticContact NE2-CZ3 3.53Å; H104-R149 WeakPolarHBondContact NE2-CB 3.18Å; H104-A150 HydrophobicContact CB-CB 4.01Å; H104-I153 WeakPolarHBondContact CE1-CD1 3.38Å
105	L	98.7	Very high	93.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-70	-33.5	-179	-65.9	172.3	0	0	0	112.4	A86 K89 I90 R93 L100 T101 K102 D103 I108 C109 Y216	A86-L105 HydrophobicContact CB-CB 4.34Å; K89-L105 HydrophobicContact CB-CB 4.33Å; K89-L105 HydrophobicContact CB-CD1 4.04Å; K89-L105 HydrophobicContact CB-CD2 4.19Å; K89-L105 HydrophobicContact CB-CG 4.44Å; I90-L105 HydrophobicContact CB-CD1 3.81Å; I90-L105 HydrophobicContact CD1-CD1 3.59Å; I90-L105 HydrophobicContact CG1-CD1 4.31Å; R93-L105 HydrophobicContact CG-CD1 4.26Å; L100-L105 HydrophobicContact CB-CD2 4.47Å; L100-L105 HydrophobicContact CB-CG 4.41Å; L100-L105 HydrophobicContact CD1-CD2 4.02Å; T101-L105 WeakPolarHBondContact O-CG 3.22Å; T101-L105 PolarHBondContact O-N 3.3Å; T101-L105 VanDerWaalsContact O-N 3.16Å; K102-L105 PolarHBondContact O-N 2.83Å; D103-L105 VanDerWaalsContact C-N 3.35Å; D103-L105 PolarHBondContact O-N 3.44Å; L105-I108 HydrophobicContact CD2-CD1 4.46Å; L105-I108 PolarHBondContact O-N 3.2Å; L105-C109 WeakPolarHBondContact O-CB 3.35Å; L105-C109 PolarHBondContact O-N 2.63Å; L105-C109 PolarHBondContact O-SG 3.16Å; L105-Y216 HydrophobicContact CD2-CD1 3.63Å; L105-Y216 HydrophobicContact CD2-CD2 4.25Å; L105-Y216 HydrophobicContact CD2-CE1 4.16Å; L105-Y216 HydrophobicContact CD2-CG 3.69Å
106	Q	98.4	Very high	91.5	Very high	12 Å²	12	32.8 Å²	32.8	6%	0.056	22%	0.222	C	C	.	.	H	α-helix	trans	-67.8	-39.3	175.2	-166.9	162.3	-19	0	0	111.5	W79 A82 A86 K102 D103 C109 A110	W79-Q106 VanDerWaalsContact CD1-NE2 3.31Å; W79-Q106 HydrophobicContact CD2-CG 4.16Å; W79-Q106 HydrophobicContact CE3-CG 4.41Å; W79-Q106 HydrophobicContact CH2-CB 4.16Å; W79-Q106 HydrophobicContact CH2-CG 4.28Å; W79-Q106 HydrophobicContact CZ2-CB 4.1Å; W79-Q106 HydrophobicContact CZ2-CG 4.02Å; W79-Q106 HydrophobicContact CZ3-CG 4.47Å; W79-Q106 PolarHBondContact O-NE2 3.35Å; A82-Q106 HydrophobicContact CB-CG 3.79Å; A86-Q106 HydrophobicContact CB-CB 3.65Å; A86-Q106 HydrophobicContact CB-CG 4.19Å; K102-Q106 VanDerWaalsContact O-CB 3.27Å; K102-Q106 WeakPolarHBondContact O-CB 3.44Å; K102-Q106 PolarHBondContact O-N 3.35Å; D103-Q106 PolarHBondContact O-N 3.07Å; Q106-C109 PolarHBondContact O-N 2.9Å; Q106-A110 VanDerWaalsContact O-CB 3.26Å; Q106-A110 WeakPolarHBondContact O-CB 3.43Å; Q106-A110 PolarHBondContact O-N 3.38Å
107	A	98.4	Very high	89.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-46.5	172.2	0	0	0	0	0	112.2	W79 D103 H104 C109 A110 Y111 L143 W146 L147	W79-A107 HydrophobicContact CH2-CB 4.1Å; W79-A107 HydrophobicContact CZ3-CB 4.04Å; D103-A107 WeakPolarHBondContact O-CB 3.23Å; D103-A107 PolarHBondContact O-N 3.01Å; H104-A107 PolarHBondContact O-N 2.85Å; A107-C109 PolarHBondContact O-N 2.92Å; A107-A110 PolarHBondContact O-N 3.38Å; A107-Y111 WeakPolarHBondContact O-CB 3.13Å; A107-Y111 PolarHBondContact O-N 3.24Å; A107-L143 HydrophobicContact CB-CD1 3.9Å; A107-W146 HydrophobicContact CB-CB 3.53Å; A107-L147 HydrophobicContact CB-CD2 4.08Å; A107-L147 HydrophobicContact CB-CG 4.12Å
108	I	98.4	Very high	88.8	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-58.4	-50.1	173.6	-69.4	167	0	0	0	110.5	H104 L105 A110 Y111 T112 L147 A150 L154 L213	H104-I108 WeakPolarHBondContact O-CG1 3.34Å; H104-I108 PolarHBondContact O-N 2.85Å; H104-I108 VanDerWaalsContact O-N 3.07Å; L105-I108 HydrophobicContact CD2-CD1 4.46Å; L105-I108 PolarHBondContact O-N 3.2Å; I108-A110 VanDerWaalsContact C-N 3.3Å; I108-A110 PolarHBondContact O-N 3Å; I108-Y111 PolarHBondContact O-N 2.91Å; I108-T112 HydrophobicContact CG2-CG2 4.36Å; I108-T112 WeakPolarHBondContact O-CB 3.38Å; I108-T112 VanDerWaalsContact O-CG2 3.31Å; I108-T112 WeakPolarHBondContact O-CG2 3.26Å; I108-T112 PolarHBondContact O-N 2.8Å; I108-T112 PolarHBondContact O-OG1 2.69Å; I108-L147 HydrophobicContact CG1-CD2 4.35Å; I108-A150 HydrophobicContact CD1-CB 4.02Å; I108-A150 HydrophobicContact CG1-CB 4.27Å; I108-L154 HydrophobicContact CD1-CD1 4.45Å; I108-L213 HydrophobicContact CD1-CD2 4.36Å; I108-L213 HydrophobicContact CG2-CD1 4.21Å
109	C	97.1	Very high	88.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-37.7	179.4	-74.9	0	0	0	0	112.6	A82 C85 L105 Q106 A107 A113	A82-C109 HydrophobicContact CB-CB 3.95Å; C85-C109 VanDerWaalsContact C-SG 3.53Å; C85-C109 HydrophobicContact CB-CB 3.56Å; C85-C109 WeakPolarHBondContact CB-SG 3.27Å; C85-C109 WeakPolarHBondContact SG-CB 3.45Å; C85-C109 CovalentContact SG-SG 2.04Å; C85-C109 PolarHBondContact SG-SG 3.01Å; L105-C109 WeakPolarHBondContact O-CB 3.35Å; L105-C109 PolarHBondContact O-N 2.63Å; L105-C109 PolarHBondContact O-SG 3.16Å; Q106-C109 PolarHBondContact O-N 2.9Å; A107-C109 PolarHBondContact O-N 2.92Å; C109-A113 WeakPolarHBondContact O-CB 3.49Å; C109-A113 PolarHBondContact O-N 2.55Å
110	A	96.1	Very high	87.7	Confident	2 Å²	2	35.6 Å²	35.6	2%	0.017	22%	0.215	C	C	.	.	H	α-helix	trans	-68.1	-47.6	178.1	0	0	0	0	0	111.4	M78 A82 Q106 A107 I108 T112 A113	M78-A110 HydrophobicContact CG-CB 3.84Å; M78-A110 HydrophobicContact SD-CB 4.26Å; A82-A110 HydrophobicContact CB-CB 3.81Å; Q106-A110 VanDerWaalsContact O-CB 3.26Å; Q106-A110 WeakPolarHBondContact O-CB 3.43Å; Q106-A110 PolarHBondContact O-N 3.38Å; A107-A110 PolarHBondContact O-N 3.38Å; I108-A110 VanDerWaalsContact C-N 3.3Å; I108-A110 PolarHBondContact O-N 3Å; A110-T112 VanDerWaalsContact C-N 3.35Å; A110-T112 PolarHBondContact O-N 3.36Å; A110-A113 PolarHBondContact O-N 3.17Å
111	Y	96.6	Very high	87.3	Confident	5 Å²	5	42 Å²	42	2%	0.02	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-39.7	179.6	178.9	-94.4	0	0	0	112.2	A107 I108 F123 N124 L147 F185 S187 L227	A107-Y111 WeakPolarHBondContact O-CB 3.13Å; A107-Y111 PolarHBondContact O-N 3.24Å; I108-Y111 PolarHBondContact O-N 2.91Å; Y111-F123 AromaticContact CD2-CD1 3.82Å; Y111-F123 HydrophobicContact CD2-CD1 3.82Å; Y111-F123 HydrophobicContact CD2-CE1 4.07Å; Y111-F123 AromaticContact CE2-CD1 3.95Å; Y111-F123 HydrophobicContact CE2-CD1 3.95Å; Y111-F123 HydrophobicContact CE2-CE1 4.2Å; Y111-N124 PolarHBondContact OH-ND2 3.27Å; Y111-L147 HydrophobicContact CD2-CD1 3.8Å; Y111-L147 HydrophobicContact CG-CD1 3.98Å; Y111-L147 HydrophobicContact CG-CD2 4.41Å; Y111-F185 HydrophobicContact CE2-CB 3.86Å; Y111-F185 PolarHBondContact OH-O 2.86Å; Y111-S187 VanDerWaalsContact CE1-OG 3.26Å; Y111-S187 WeakPolarHBondContact CE1-OG 3.46Å; Y111-S187 PolarHBondContact OH-OG 3.01Å; Y111-L227 HydrophobicContact CD1-CD1 4.28Å; Y111-L227 HydrophobicContact CD1-CD2 4.11Å; Y111-L227 HydrophobicContact CE1-CD1 3.41Å; Y111-L227 VanDerWaalsContact CE1-CD1 3.41Å; Y111-L227 HydrophobicContact CE1-CD2 4.04Å; Y111-L227 HydrophobicContact CE1-CG 4.39Å
112	T	94.4	Very high	87.1	Confident	11 Å²	11	43.9 Å²	43.9	7%	0.067	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	7.5	-175.7	62.4	0	0	0	0	114.3	I108 A110 G114 L213 P217 K218 E225	I108-T112 HydrophobicContact CG2-CG2 4.36Å; I108-T112 WeakPolarHBondContact O-CB 3.38Å; I108-T112 VanDerWaalsContact O-CG2 3.31Å; I108-T112 WeakPolarHBondContact O-CG2 3.26Å; I108-T112 PolarHBondContact O-N 2.8Å; I108-T112 PolarHBondContact O-OG1 2.69Å; A110-T112 VanDerWaalsContact C-N 3.35Å; A110-T112 PolarHBondContact O-N 3.36Å; T112-G114 PolarHBondContact O-N 3Å; T112-L213 HydrophobicContact CG2-CD1 4.07Å; T112-P217 HydrophobicContact CG2-CB 3.94Å; T112-P217 HydrophobicContact CG2-CG 4.32Å; T112-P217 VanDerWaalsContact OG1-CA 3.28Å; T112-P217 WeakPolarHBondContact OG1-CA 3.48Å; T112-K218 PolarHBondContact OG1-N 3.18Å; T112-E225 WeakPolarHBondContact CG2-OE2 3.12Å
113	A	87.4	Confident	87	Confident	43 Å²	43	40.3 Å²	40.3	36%	0.355	24%	0.239	S	C	.	.			trans	-61.6	-28.3	-173.1	0	0	0	0	0	113.9	C109 A110 K218	C109-A113 WeakPolarHBondContact O-CB 3.49Å; C109-A113 PolarHBondContact O-N 2.55Å; A110-A113 PolarHBondContact O-N 3.17Å; A113-K218 HydrophobicContact CB-CG 4.47Å
114	G	70.4	Confident	86.9	Confident	43 Å²	43	39.4 Å²	39.4	44%	0.443	23%	0.234	S	C	.	.			trans	59.2	-174.1	-168.1	0	0	0	0	0	112.4	T112	T112-G114 PolarHBondContact O-N 3Å
115	G	61.7	Low	86.7	Confident	51 Å²	51	44.3 Å²	44.3	53%	0.526	26%	0.257	S	S	.	.	S	Bend	trans	95.1	-172.5	169.3	0	0	0	0	0	116.5	E117 N118	G115-E117 VanDerWaalsContact C-N 3.29Å; G115-E117 PolarHBondContact O-N 3.25Å; G115-N118 PolarHBondContact O-N 2.76Å
116	P	48.7	Very low	86.6	Confident	143 Å²	143	44.7 Å²	44.7	93%	0.929	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-32	-167	-22.8	32.2	0	0	0	114.6	N118	P116-N118 PolarHBondContact O-N 3.36Å
117	E	56.2	Low	86.6	Confident	107 Å²	107	44.1 Å²	44.1	50%	0.5	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-17.8	179.4	-60.4	-170	164.5	0	0	112.6	G115 V119	G115-E117 VanDerWaalsContact C-N 3.29Å; G115-E117 PolarHBondContact O-N 3.25Å; E117-V119 HydrophobicContact CB-CG2 4.27Å; E117-V119 PolarHBondContact O-N 2.99Å
118	N	76	Confident	86.6	Confident	47 Å²	47	47.4 Å²	47.4	25%	0.251	27%	0.27	S	S	.	.			trans	40.4	42.8	173.8	-155.8	12	0	0	0	114.7	G115 P116 Y120 K121 T122	G115-N118 PolarHBondContact O-N 2.76Å; P116-N118 PolarHBondContact O-N 3.36Å; N118-Y120 VanDerWaalsContact C-N 3.29Å; N118-Y120 PolarHBondContact O-N 3.22Å; N118-Y120 WeakPolarHBondContact OD1-CD1 3.48Å; N118-Y120 WeakPolarHBondContact OD1-CE1 3.47Å; N118-Y120 VanDerWaalsContact OD1-CZ 3.3Å; N118-K121 HydrophobicContact CB-CB 4.41Å; N118-K121 WeakPolarHBondContact ND2-CB 3.38Å; N118-K121 WeakPolarHBondContact ND2-CD 3.43Å; N118-K121 VanDerWaalsContact O-CB 3.29Å; N118-K121 WeakPolarHBondContact O-CB 3.49Å; N118-K121 PolarHBondContact O-N 3.34Å; N118-T122 PolarHBondContact O-N 2.78Å
119	V	82.6	Confident	86.5	Confident	22 Å²	22	50 Å²	50	13%	0.133	29%	0.286	C	S	.	.	H	α-helix	trans	-46.5	-49.2	-173.6	157.6	0	0	0	0	112.8	M78 E117 K121 T122 F123	M78-V119 HydrophobicContact CB-CG2 3.71Å; M78-V119 HydrophobicContact CG-CB 4.21Å; M78-V119 HydrophobicContact CG-CG1 3.77Å; M78-V119 HydrophobicContact CG-CG2 3.49Å; M78-V119 VanDerWaalsContact CG-CG2 3.49Å; M78-V119 HydrophobicContact SD-CB 4.01Å; M78-V119 HydrophobicContact SD-CG1 3.09Å; M78-V119 WeakPolarHBondContact SD-CG1 3.16Å; M78-V119 HydrophobicContact SD-CG2 3.73Å; E117-V119 HydrophobicContact CB-CG2 4.27Å; E117-V119 PolarHBondContact O-N 2.99Å; V119-K121 PolarHBondContact O-N 3.45Å; V119-T122 PolarHBondContact O-N 3.26Å; V119-F123 VanDerWaalsContact O-CB 3.28Å; V119-F123 WeakPolarHBondContact O-CB 3.46Å; V119-F123 PolarHBondContact O-N 3.25Å
120	Y	87.6	Confident	86.5	Confident	93 Å²	93	52 Å²	52	37%	0.365	30%	0.297	S	S	.	.	H	α-helix	trans	-60.8	-30.4	-177	79.4	-92.6	0	0	0	111.7	N118 N124	N118-Y120 VanDerWaalsContact C-N 3.29Å; N118-Y120 PolarHBondContact O-N 3.22Å; N118-Y120 WeakPolarHBondContact OD1-CD1 3.48Å; N118-Y120 WeakPolarHBondContact OD1-CE1 3.47Å; N118-Y120 VanDerWaalsContact OD1-CZ 3.3Å; Y120-N124 WeakPolarHBondContact O-CB 3.32Å; Y120-N124 PolarHBondContact O-N 3.02Å; Y120-N124 PolarHBondContact O-ND2 3.22Å
121	K	90.9	Very high	86.5	Confident	135 Å²	135	55.8 Å²	55.8	59%	0.587	31%	0.31	S	S	*	.	H	α-helix	trans	-69.2	-51.1	178.6	-173.6	-178.1	175.6	-172.8	0	110.6	N118 V119 F123 N124 E125	N118-K121 HydrophobicContact CB-CB 4.41Å; N118-K121 WeakPolarHBondContact ND2-CB 3.38Å; N118-K121 WeakPolarHBondContact ND2-CD 3.43Å; N118-K121 VanDerWaalsContact O-CB 3.29Å; N118-K121 WeakPolarHBondContact O-CB 3.49Å; N118-K121 PolarHBondContact O-N 3.34Å; V119-K121 PolarHBondContact O-N 3.45Å; K121-F123 VanDerWaalsContact C-N 3.34Å; K121-N124 PolarHBondContact O-N 3.38Å; K121-E125 WeakPolarHBondContact O-CB 3.38Å; K121-E125 PolarHBondContact O-N 3.48Å
122	T	93	Very high	86.5	Confident	84 Å²	84	60.6 Å²	60.6	52%	0.515	34%	0.34	S	S	.	.	H	α-helix	trans	-64	-41.9	178.4	-55.1	0	0	0	0	111.5	N118 V119 A126 F140	N118-T122 PolarHBondContact O-N 2.78Å; V119-T122 PolarHBondContact O-N 3.26Å; T122-A126 PolarHBondContact O-N 2.74Å; T122-A126 VanDerWaalsContact O-N 3.12Å; T122-F140 HydrophobicContact CG2-CE2 4.33Å; T122-F140 HydrophobicContact CG2-CZ 4.1Å
123	F	96	Very high	86.6	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-62.4	-51.6	175.6	171.7	-116.1	0	0	0	111.6	Y111 V119 K121 E125 A126 V127 F140 L143 H144 L147 F185	Y111-F123 AromaticContact CD2-CD1 3.82Å; Y111-F123 HydrophobicContact CD2-CD1 3.82Å; Y111-F123 HydrophobicContact CD2-CE1 4.07Å; Y111-F123 AromaticContact CE2-CD1 3.95Å; Y111-F123 HydrophobicContact CE2-CD1 3.95Å; Y111-F123 HydrophobicContact CE2-CE1 4.2Å; V119-F123 VanDerWaalsContact O-CB 3.28Å; V119-F123 WeakPolarHBondContact O-CB 3.46Å; V119-F123 PolarHBondContact O-N 3.25Å; K121-F123 VanDerWaalsContact C-N 3.34Å; F123-E125 VanDerWaalsContact C-N 3.29Å; F123-E125 PolarHBondContact O-N 3.01Å; F123-A126 PolarHBondContact O-N 3.3Å; F123-V127 HydrophobicContact CD1-CG2 4.46Å; F123-V127 HydrophobicContact CD2-CG2 3.91Å; F123-V127 HydrophobicContact CE1-CG2 4.11Å; F123-V127 HydrophobicContact CE2-CG2 3.5Å; F123-V127 VanDerWaalsContact CE2-CG2 3.5Å; F123-V127 HydrophobicContact CG-CG2 4.39Å; F123-V127 HydrophobicContact CZ-CG2 3.62Å; F123-V127 VanDerWaalsContact O-CG2 3.3Å; F123-V127 WeakPolarHBondContact O-CG2 2.84Å; F123-V127 PolarHBondContact O-N 3.49Å; F123-F140 HydrophobicContact CD2-CB 3.6Å; F123-F140 HydrophobicContact CD2-CD1 4.13Å; F123-F140 AromaticContact CD2-CD2 3.98Å; F123-F140 HydrophobicContact CD2-CD2 3.98Å; F123-F140 AromaticContact CD2-CG 3.67Å; F123-F140 HydrophobicContact CD2-CG 3.67Å; F123-F140 HydrophobicContact CE2-CB 3.75Å; F123-F140 HydrophobicContact CE2-CG 4.33Å; F123-L143 HydrophobicContact CB-CD2 4.21Å; F123-L143 HydrophobicContact CD1-CD2 4.11Å; F123-L143 HydrophobicContact CD2-CD2 3.72Å; F123-L143 HydrophobicContact CD2-CG 4.21Å; F123-L143 HydrophobicContact CE1-CD2 4.4Å; F123-L143 HydrophobicContact CE1-CG 4.43Å; F123-L143 HydrophobicContact CE2-CB 4.23Å; F123-L143 HydrophobicContact CE2-CD2 4.05Å; F123-L143 HydrophobicContact CE2-CG 4.01Å; F123-L143 HydrophobicContact CG-CD2 3.74Å; F123-L143 HydrophobicContact CG-CG 4.5Å; F123-L143 HydrophobicContact CZ-CD2 4.37Å; F123-L143 HydrophobicContact CZ-CG 4.12Å; F123-H144 HydrophobicContact CE2-CB 4.16Å; F123-H144 HydrophobicContact CZ-CB 4.27Å; F123-L147 HydrophobicContact CD1-CD1 4.44Å; F123-L147 HydrophobicContact CE1-CD1 3.59Å; F123-L147 HydrophobicContact CZ-CD1 3.95Å; F123-F185 HydrophobicContact CE1-CB 4.3Å; F123-F185 AromaticContact CE1-CD2 3.35Å; F123-F185 HydrophobicContact CE1-CD2 3.35Å; F123-F185 AromaticContact CE1-CE2 3.87Å; F123-F185 HydrophobicContact CE1-CE2 3.87Å; F123-F185 AromaticContact CE1-CG 3.97Å; F123-F185 HydrophobicContact CE1-CG 3.97Å; F123-F185 AromaticContact CZ-CD2 3.56Å; F123-F185 HydrophobicContact CZ-CD2 3.56Å; F123-F185 AromaticContact CZ-CE2 3.57Å; F123-F185 HydrophobicContact CZ-CE2 3.57Å; F123-F185 HydrophobicContact CZ-CG 4.5Å; F123-F185 HydrophobicContact CZ-CZ 4.49Å
124	N	96.6	Very high	87	Confident	19 Å²	19	61 Å²	61	10%	0.102	33%	0.334	C	S	.	.	H	α-helix	trans	-65.5	-31.5	-179.5	-76.5	-22.2	0	0	0	112.6	Y111 Y120 K121 V127 R128 T184 F185	Y111-N124 PolarHBondContact OH-ND2 3.27Å; Y120-N124 WeakPolarHBondContact O-CB 3.32Å; Y120-N124 PolarHBondContact O-N 3.02Å; Y120-N124 PolarHBondContact O-ND2 3.22Å; K121-N124 PolarHBondContact O-N 3.38Å; N124-V127 PolarHBondContact O-N 3.43Å; N124-R128 VanDerWaalsContact O-CB 3.26Å; N124-R128 WeakPolarHBondContact O-CB 3.43Å; N124-R128 PolarHBondContact O-N 3.04Å; N124-T184 HydrophobicContact CB-CG2 4.1Å; N124-T184 VanDerWaalsContact O-CG2 3.25Å; N124-T184 WeakPolarHBondContact O-CG2 3.49Å; N124-F185 PolarHBondContact ND2-O 3.06Å; N124-F185 PolarHBondContact OD1-N 3.12Å; N124-F185 PolarHBondContact OD1-O 3.25Å
125	E	95.9	Very high	88	Confident	113 Å²	113	60.5 Å²	60.5	53%	0.528	33%	0.329	S	S	.	.	H	α-helix	trans	-63.7	-48.1	172.9	-174.3	61.2	-158.6	0	0	111.4	K121 F123 V127 R128 T129	K121-E125 WeakPolarHBondContact O-CB 3.38Å; K121-E125 PolarHBondContact O-N 3.48Å; F123-E125 VanDerWaalsContact C-N 3.29Å; F123-E125 PolarHBondContact O-N 3.01Å; E125-V127 VanDerWaalsContact C-N 3.33Å; E125-V127 PolarHBondContact O-N 3.15Å; E125-R128 PolarHBondContact O-N 3.03Å; E125-T129 PolarHBondContact O-N 3.47Å; E125-T129 PolarHBondContact O-OG1 2.62Å
126	A	96.9	Very high	89.3	Confident	8 Å²	8	61.9 Å²	61.9	7%	0.066	33%	0.331	C	S	.	.	H	α-helix	trans	-61.6	-43.1	175.4	0	0	0	0	0	111.3	T122 F123 R128 T129 N130 F138 F140	T122-A126 PolarHBondContact O-N 2.74Å; T122-A126 VanDerWaalsContact O-N 3.12Å; F123-A126 PolarHBondContact O-N 3.3Å; A126-R128 VanDerWaalsContact C-N 3.31Å; A126-R128 PolarHBondContact O-N 3.39Å; A126-T129 PolarHBondContact O-N 2.99Å; A126-N130 WeakPolarHBondContact O-CB 3.15Å; A126-N130 PolarHBondContact O-N 3.49Å; A126-F138 HydrophobicContact CB-CE2 4.01Å; A126-F140 HydrophobicContact CB-CD2 3.78Å; A126-F140 HydrophobicContact CB-CE2 3.9Å
127	V	98.2	Very high	91.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.9	-39.4	175.7	172.2	0	0	0	0	111	S46 V47 F123 N124 E125 T129 F138 P230	S46-V127 CarbonylContact C-O 3.56Å; S46-V127 WeakPolarHBondContact CA-O 3.39Å; V47-V127 HydrophobicContact CB-CG1 4.43Å; V47-V127 PolarHBondContact N-O 3.31Å; V47-V127 WeakPolarHBondContact O-CG1 3.37Å; F123-V127 HydrophobicContact CD1-CG2 4.46Å; F123-V127 HydrophobicContact CD2-CG2 3.91Å; F123-V127 HydrophobicContact CE1-CG2 4.11Å; F123-V127 HydrophobicContact CE2-CG2 3.5Å; F123-V127 VanDerWaalsContact CE2-CG2 3.5Å; F123-V127 HydrophobicContact CG-CG2 4.39Å; F123-V127 HydrophobicContact CZ-CG2 3.62Å; F123-V127 VanDerWaalsContact O-CG2 3.3Å; F123-V127 WeakPolarHBondContact O-CG2 2.84Å; F123-V127 PolarHBondContact O-N 3.49Å; N124-V127 PolarHBondContact O-N 3.43Å; E125-V127 VanDerWaalsContact C-N 3.33Å; E125-V127 PolarHBondContact O-N 3.15Å; V127-T129 VanDerWaalsContact C-N 3.31Å; V127-T129 PolarHBondContact O-N 2.9Å; V127-F138 HydrophobicContact CG2-CZ 4.09Å; V127-P230 HydrophobicContact CG1-CB 4.34Å
128	R	97.2	Very high	93.4	Very high	69 Å²	69	55.2 Å²	55.2	26%	0.26	29%	0.294	S	S	.	.	H	α-helix	trans	-66.4	-31	-178.2	-173.5	173.1	176.6	79	5.4	113.5	V43 N45 S46 N124 E125 A126 F182 T184	V43-R128 HydrophobicContact CG1-CG 3.8Å; N45-R128 CarbonylContact C-O 3.58Å; N45-R128 VanDerWaalsContact C-O 3.28Å; N45-R128 CarbonylContact O-C 3.43Å; S46-R128 PolarHBondContact N-O 3.44Å; N124-R128 VanDerWaalsContact O-CB 3.26Å; N124-R128 WeakPolarHBondContact O-CB 3.43Å; N124-R128 PolarHBondContact O-N 3.04Å; E125-R128 PolarHBondContact O-N 3.03Å; A126-R128 VanDerWaalsContact C-N 3.31Å; A126-R128 PolarHBondContact O-N 3.39Å; R128-F182 PolarHBondContact NH1-O 2.93Å; R128-T184 HydrophobicContact CB-CG2 3.65Å; R128-T184 HydrophobicContact CG-CG2 4.28Å
129	T	96.9	Very high	94.2	Very high	54 Å²	54	55.9 Å²	55.9	33%	0.331	30%	0.301	S	S	.	.	H	α-helix	trans	-120.6	-24	-161.4	54.9	0	0	0	0	114.8	N45 E125 A126 V127 R131	N45-T129 CarbonylContact O-C 3.57Å; N45-T129 VanDerWaalsContact O-C 3.24Å; E125-T129 PolarHBondContact O-N 3.47Å; E125-T129 PolarHBondContact O-OG1 2.62Å; A126-T129 PolarHBondContact O-N 2.99Å; V127-T129 VanDerWaalsContact C-N 3.31Å; V127-T129 PolarHBondContact O-N 2.9Å; T129-R131 PolarHBondContact O-N 2.79Å
130	N	97.1	Very high	94.9	Very high	44 Å²	44	55.9 Å²	55.9	24%	0.235	30%	0.299	C	S	.	.			trans	-100.6	29.9	-163.7	-67.7	-14.4	0	0	0	115.2	N45 A126 T132 Q133 Y134 F138	N45-N130 PolarHBondContact O-N 3.01Å; A126-N130 WeakPolarHBondContact O-CB 3.15Å; A126-N130 PolarHBondContact O-N 3.49Å; N130-T132 PolarHBondContact O-N 3.15Å; N130-Q133 VanDerWaalsContact C-OE1 3.32Å; N130-Q133 HydrophobicContact CB-CB 4.27Å; N130-Q133 PolarHBondContact O-N 3.21Å; N130-Q133 PolarHBondContact O-OE1 3.42Å; N130-Y134 PolarHBondContact O-N 3.46Å; N130-F138 HydrophobicContact CB-CD2 3.98Å
131	R	96.8	Very high	95.4	Very high	81 Å²	81	51.7 Å²	51.7	31%	0.306	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-52	-43.6	175.7	-176.2	175.4	66.4	134.1	-9.1	112.5	D44 N45 T129 Q133 Y134 L264	D44-R131 VanDerWaalsContact O-CD 3.3Å; D44-R131 WeakPolarHBondContact O-CD 3.2Å; D44-R131 PolarHBondContact O-NE 2.91Å; D44-R131 PolarHBondContact O-NH2 3.43Å; N45-R131 WeakPolarHBondContact O-CB 3.21Å; N45-R131 PolarHBondContact O-N 2.76Å; T129-R131 PolarHBondContact O-N 2.79Å; R131-Q133 PolarHBondContact O-N 3.25Å; R131-Y134 WeakPolarHBondContact O-CB 3.35Å; R131-Y134 PolarHBondContact O-N 3.42Å; R131-L264 HydrophobicContact CG-CD1 4Å; R131-L264 HydrophobicContact CG-CD2 3.99Å; R131-L264 HydrophobicContact CG-CG 4.01Å
132	T	95.8	Very high	95.7	Very high	105 Å²	105	45.2 Å²	45.2	64%	0.644	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-64	-25.1	-179.8	46.4	0	0	0	0	113.7	N130	N130-T132 PolarHBondContact O-N 3.15Å
133	Q	96.3	Very high	96	Very high	64 Å²	64	41.2 Å²	41.2	30%	0.299	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-94.1	-1.1	178.5	-62.7	76.7	7.3	0	0	112	N130 R131 G135 S136 T137 F138	N130-Q133 VanDerWaalsContact C-OE1 3.32Å; N130-Q133 HydrophobicContact CB-CB 4.27Å; N130-Q133 PolarHBondContact O-N 3.21Å; N130-Q133 PolarHBondContact O-OE1 3.42Å; R131-Q133 PolarHBondContact O-N 3.25Å; Q133-G135 VanDerWaalsContact C-N 3.28Å; Q133-G135 PolarHBondContact O-N 2.87Å; Q133-S136 CarbonylContact O-C 3.45Å; Q133-S136 PolarHBondContact O-N 3.38Å; Q133-S136 PolarHBondContact O-OG 2.7Å; Q133-T137 PolarHBondContact O-N 2.88Å; Q133-T137 VanDerWaalsContact O-N 3.1Å; Q133-F138 WeakPolarHBondContact O-CB 3.47Å; Q133-F138 PolarHBondContact O-N 3.45Å
134	Y	95.6	Very high	96.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-39	-175.7	-173.4	-118.1	0	0	0	112.5	V47 D49 Y51 N130 R131 S136 F138 H141 L264 I268	V47-Y134 HydrophobicContact CB-CD2 4.35Å; V47-Y134 HydrophobicContact CG1-CD2 3.26Å; V47-Y134 HydrophobicContact CG1-CE2 3.31Å; V47-Y134 HydrophobicContact CG1-CG 4.09Å; V47-Y134 HydrophobicContact CG2-CD2 4.15Å; D49-Y134 HydrophobicContact CB-CE1 4.08Å; D49-Y134 VanDerWaalsContact CB-OH 3.27Å; D49-Y134 WeakPolarHBondContact CB-OH 3.36Å; D49-Y134 VanDerWaalsContact OD2-CE1 3.29Å; D49-Y134 WeakPolarHBondContact OD2-CE1 3.21Å; D49-Y134 PolarHBondContact OD2-OH 3.29Å; D49-Y134 VanDerWaalsContact OD2-OH 3.08Å; Y51-Y134 VanDerWaalsContact CE1-OH 3.3Å; Y51-Y134 WeakPolarHBondContact CE1-OH 3.3Å; Y51-Y134 PolarHBondContact OH-OH 3.49Å; N130-Y134 PolarHBondContact O-N 3.46Å; R131-Y134 WeakPolarHBondContact O-CB 3.35Å; R131-Y134 PolarHBondContact O-N 3.42Å; Y134-S136 PolarHBondContact O-N 3.35Å; Y134-F138 HydrophobicContact CD2-CB 4.49Å; Y134-F138 AromaticContact CD2-CD1 3.92Å; Y134-F138 HydrophobicContact CD2-CD1 3.92Å; Y134-F138 HydrophobicContact CD2-CE1 4.37Å; Y134-F138 HydrophobicContact CD2-CG 4.22Å; Y134-F138 HydrophobicContact CE2-CD1 4.21Å; Y134-F138 HydrophobicContact CE2-CE1 4.38Å; Y134-H141 AromaticContact CE2-CD2 3.85Å; Y134-H141 PolarHBondContact O-NE2 2.63Å; Y134-L264 HydrophobicContact CD1-CD1 3.54Å; Y134-L264 HydrophobicContact CD1-CD2 3.96Å; Y134-L264 HydrophobicContact CD1-CG 4.28Å; Y134-L264 HydrophobicContact CD2-CD1 4.28Å; Y134-L264 HydrophobicContact CE1-CD1 3.99Å; Y134-L264 HydrophobicContact CG-CD1 3.69Å; Y134-I268 HydrophobicContact CD1-CD1 4.44Å; Y134-I268 HydrophobicContact CD1-CG2 3.76Å; Y134-I268 HydrophobicContact CE1-CB 4.47Å; Y134-I268 HydrophobicContact CE1-CD1 3.71Å; Y134-I268 HydrophobicContact CE1-CG1 3.89Å; Y134-I268 HydrophobicContact CE1-CG2 3.82Å; Y134-I268 HydrophobicContact CE2-CD1 4.11Å
135	G	92	Very high	96.2	Very high	32 Å²	32	40.3 Å²	40.3	33%	0.33	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-7.3	175	0	0	0	0	0	115.7	Q133	Q133-G135 VanDerWaalsContact C-N 3.28Å; Q133-G135 PolarHBondContact O-N 2.87Å
136	S	89.9	Confident	96.3	Very high	80 Å²	80	35 Å²	35	56%	0.559	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-137.1	-89.2	-167.4	58.4	0	0	0	0	112.9	Q133 Y134	Q133-S136 CarbonylContact O-C 3.45Å; Q133-S136 PolarHBondContact O-N 3.38Å; Q133-S136 PolarHBondContact O-OG 2.7Å; Y134-S136 PolarHBondContact O-N 3.35Å
137	T	93.3	Very high	96.4	Very high	105 Å²	105	34.6 Å²	34.6	64%	0.644	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.5	4.1	-166.4	56.2	0	0	0	0	114.3	Q133 P139	Q133-T137 PolarHBondContact O-N 2.88Å; Q133-T137 VanDerWaalsContact O-N 3.1Å; T137-P139 WeakPolarHBondContact O-CD 3.1Å
138	F	96	Very high	96.4	Very high	5 Å²	5	34.6 Å²	34.6	2%	0.022	20%	0.197	C	C	.	.			trans	-54.3	125.3	173.9	-179	-109.7	0	0	0	110.3	V47 A126 V127 N130 Q133 Y134 F140 H141 H144	V47-F138 HydrophobicContact CB-CE2 4.34Å; V47-F138 HydrophobicContact CB-CZ 4.32Å; V47-F138 HydrophobicContact CG1-CE1 4.26Å; V47-F138 HydrophobicContact CG1-CZ 4.13Å; V47-F138 HydrophobicContact CG2-CD2 3.98Å; V47-F138 HydrophobicContact CG2-CE2 3.76Å; V47-F138 HydrophobicContact CG2-CZ 4.2Å; A126-F138 HydrophobicContact CB-CE2 4.01Å; V127-F138 HydrophobicContact CG2-CZ 4.09Å; N130-F138 HydrophobicContact CB-CD2 3.98Å; Q133-F138 WeakPolarHBondContact O-CB 3.47Å; Q133-F138 PolarHBondContact O-N 3.45Å; Y134-F138 HydrophobicContact CD2-CB 4.49Å; Y134-F138 AromaticContact CD2-CD1 3.92Å; Y134-F138 HydrophobicContact CD2-CD1 3.92Å; Y134-F138 HydrophobicContact CD2-CE1 4.37Å; Y134-F138 HydrophobicContact CD2-CG 4.22Å; Y134-F138 HydrophobicContact CE2-CD1 4.21Å; Y134-F138 HydrophobicContact CE2-CE1 4.38Å; F138-F140 HydrophobicContact CE1-CB 3.89Å; F138-F140 WeakPolarHBondContact CE1-O 3.09Å; F138-F140 HydrophobicContact CZ-CB 3.86Å; F138-H141 AromaticContact CD1-CD2 3.87Å; F138-H141 AromaticContact CD1-CE1 3.96Å; F138-H141 AromaticContact CD1-CG 3.97Å; F138-H141 AromaticContact CD1-NE2 3.87Å; F138-H141 PolarHBondContact O-CE1 3.48Å; F138-H141 PolarHBondContact O-ND1 3.03Å; F138-H144 HydrophobicContact CE1-CB 4.19Å
139	P	94.4	Very high	96.5	Very high	60 Å²	60	34.8 Å²	34.8	39%	0.39	20%	0.198	S	C	.	.	S	Bend	trans	-95	6.7	-166.2	33.1	-32.2	0	0	0	114.6	T137	T137-P139 WeakPolarHBondContact O-CD 3.1Å
140	F	96.7	Very high	96.6	Very high	23 Å²	23	32.3 Å²	32.3	10%	0.101	18%	0.183	C	C	.	.			trans	-135.3	32.3	-170.6	-61.1	-71.8	0	0	0	113.6	E70 F75 T122 F123 A126 F138 S142 L143 H144	E70-F140 PolarHBondContact OE1-N 3.35Å; F75-F140 AromaticContact CD2-CD1 3.69Å; F75-F140 HydrophobicContact CD2-CD1 3.69Å; F75-F140 AromaticContact CD2-CE1 3.95Å; F75-F140 HydrophobicContact CD2-CE1 3.95Å; F75-F140 HydrophobicContact CE2-CD1 4.01Å; T122-F140 HydrophobicContact CG2-CE2 4.33Å; T122-F140 HydrophobicContact CG2-CZ 4.1Å; F123-F140 HydrophobicContact CD2-CB 3.6Å; F123-F140 HydrophobicContact CD2-CD1 4.13Å; F123-F140 AromaticContact CD2-CD2 3.98Å; F123-F140 HydrophobicContact CD2-CD2 3.98Å; F123-F140 AromaticContact CD2-CG 3.67Å; F123-F140 HydrophobicContact CD2-CG 3.67Å; F123-F140 HydrophobicContact CE2-CB 3.75Å; F123-F140 HydrophobicContact CE2-CG 4.33Å; A126-F140 HydrophobicContact CB-CD2 3.78Å; A126-F140 HydrophobicContact CB-CE2 3.9Å; F138-F140 HydrophobicContact CE1-CB 3.89Å; F138-F140 WeakPolarHBondContact CE1-O 3.09Å; F138-F140 HydrophobicContact CZ-CB 3.86Å; F140-S142 VanDerWaalsContact C-N 3.26Å; F140-S142 PolarHBondContact O-N 3.35Å; F140-L143 HydrophobicContact CD1-CD2 4.48Å; F140-L143 PolarHBondContact O-N 2.85Å; F140-H144 WeakPolarHBondContact O-CB 3.25Å; F140-H144 PolarHBondContact O-N 2.98Å
141	H	97.8	Very high	96.7	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.019	17%	0.172	C	C	.	.	H	α-helix	trans	-54.3	-43.3	176.5	-67.1	99.6	0	0	0	111.9	M58 Y66 E70 Y134 F138 F145 I268	M58-H141 HydrophobicContact CE-CB 4.28Å; Y66-H141 HydrophobicContact CD1-CB 3.72Å; Y66-H141 AromaticContact CD1-CG 3.58Å; Y66-H141 AromaticContact CD1-ND1 3.39Å; Y66-H141 WeakPolarHBondContact CD1-ND1 3.36Å; Y66-H141 HydrophobicContact CD2-CB 3.85Å; Y66-H141 HydrophobicContact CE1-CB 4.18Å; Y66-H141 AromaticContact CE1-CD2 3.97Å; Y66-H141 AromaticContact CE1-CE1 3.65Å; Y66-H141 AromaticContact CE1-CG 3.6Å; Y66-H141 AromaticContact CE1-ND1 3.4Å; Y66-H141 WeakPolarHBondContact CE1-ND1 3.29Å; Y66-H141 AromaticContact CE1-NE2 3.97Å; Y66-H141 HydrophobicContact CE2-CB 4.27Å; Y66-H141 HydrophobicContact CG-CB 3.56Å; Y66-H141 AromaticContact CG-CG 3.93Å; Y66-H141 AromaticContact CZ-CD2 3.96Å; Y66-H141 AromaticContact CZ-CG 3.95Å; E70-H141 WeakPolarHBondContact OE1-CB 3.4Å; E70-H141 IonicContact OE1-CG 2.74Å; E70-H141 PolarHBondContact OE1-N 2.05Å; E70-H141 IonicContact OE1-ND1 2.65Å; Y134-H141 AromaticContact CE2-CD2 3.85Å; Y134-H141 PolarHBondContact O-NE2 2.63Å; F138-H141 AromaticContact CD1-CD2 3.87Å; F138-H141 AromaticContact CD1-CE1 3.96Å; F138-H141 AromaticContact CD1-CG 3.97Å; F138-H141 AromaticContact CD1-NE2 3.87Å; F138-H141 PolarHBondContact O-CE1 3.48Å; F138-H141 PolarHBondContact O-ND1 3.03Å; H141-F145 VanDerWaalsContact O-CB 3.27Å; H141-F145 WeakPolarHBondContact O-CB 3.43Å; H141-F145 PolarHBondContact O-N 3.31Å; H141-I268 WeakPolarHBondContact CD2-CD1 3.38Å
142	S	98	Very high	96.7	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68	-47.7	-177.8	-47.6	0	0	0	0	111.7	L67 E70 F140 F145 W146	L67-S142 WeakPolarHBondContact CA-OG 3.3Å; L67-S142 PolarHBondContact N-OG 2.96Å; L67-S142 VanDerWaalsContact N-OG 3.09Å; E70-S142 WeakPolarHBondContact OE2-CB 3.35Å; E70-S142 PolarHBondContact OE2-N 2.58Å; E70-S142 PolarHBondContact OE2-OG 3.31Å; F140-S142 VanDerWaalsContact C-N 3.26Å; F140-S142 PolarHBondContact O-N 3.35Å; S142-F145 PolarHBondContact O-N 3.47Å; S142-W146 WeakPolarHBondContact O-CB 3.3Å; S142-W146 PolarHBondContact O-N 2.75Å
143	L	98.1	Very high	96.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.4	-42.7	-179.4	-178.9	60.4	0	0	0	111.3	F75 M78 W79 A107 F123 F140 L147	F75-L143 HydrophobicContact CE2-CB 4.08Å; M78-L143 HydrophobicContact CE-CD2 4.2Å; M78-L143 HydrophobicContact SD-CD2 4.12Å; W79-L143 HydrophobicContact CZ3-CD1 4.29Å; A107-L143 HydrophobicContact CB-CD1 3.9Å; F123-L143 HydrophobicContact CB-CD2 4.21Å; F123-L143 HydrophobicContact CD1-CD2 4.11Å; F123-L143 HydrophobicContact CD2-CD2 3.72Å; F123-L143 HydrophobicContact CD2-CG 4.21Å; F123-L143 HydrophobicContact CE1-CD2 4.4Å; F123-L143 HydrophobicContact CE1-CG 4.43Å; F123-L143 HydrophobicContact CE2-CB 4.23Å; F123-L143 HydrophobicContact CE2-CD2 4.05Å; F123-L143 HydrophobicContact CE2-CG 4.01Å; F123-L143 HydrophobicContact CG-CD2 3.74Å; F123-L143 HydrophobicContact CG-CG 4.5Å; F123-L143 HydrophobicContact CZ-CD2 4.37Å; F123-L143 HydrophobicContact CZ-CG 4.12Å; F140-L143 HydrophobicContact CD1-CD2 4.48Å; F140-L143 PolarHBondContact O-N 2.85Å; L143-L147 HydrophobicContact CD1-CD1 3.81Å; L143-L147 HydrophobicContact CD1-CG 3.99Å; L143-L147 HydrophobicContact CG-CD1 3.9Å; L143-L147 HydrophobicContact CG-CG 4.47Å; L143-L147 WeakPolarHBondContact O-CB 3.46Å; L143-L147 WeakPolarHBondContact O-CG 3.38Å; L143-L147 PolarHBondContact O-N 2.98Å
144	H	98.5	Very high	96.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.2	-52.7	175.7	-176	-79.2	0	0	0	111.4	V47 D49 Y51 F123 F138 F140 W146 L147 T148 F185	V47-H144 PolarHBondContact O-NE2 3.48Å; V47-H144 VanDerWaalsContact O-NE2 3.1Å; D49-H144 PolarHBondContact O-CE1 2.9Å; Y51-H144 AromaticContact CE2-ND1 3.66Å; Y51-H144 AromaticContact CZ-ND1 3.63Å; Y51-H144 PolarHBondContact OH-ND1 3.31Å; F123-H144 HydrophobicContact CE2-CB 4.16Å; F123-H144 HydrophobicContact CZ-CB 4.27Å; F138-H144 HydrophobicContact CE1-CB 4.19Å; F140-H144 WeakPolarHBondContact O-CB 3.25Å; F140-H144 PolarHBondContact O-N 2.98Å; H144-W146 PolarHBondContact O-N 2.94Å; H144-L147 PolarHBondContact O-N 3.29Å; H144-T148 WeakPolarHBondContact O-CB 3.29Å; H144-T148 PolarHBondContact O-N 3.5Å; H144-T148 PolarHBondContact O-OG1 3.35Å; H144-F185 AromaticContact CD2-CE2 3.54Å; H144-F185 AromaticContact NE2-CE2 3.87Å
145	F	98.6	Very high	96.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57.3	-52.2	179.6	174.8	-105.8	0	0	0	112.3	Y51 A55 M58 E59 V62 H141 S142 L147 T148 R149	Y51-F145 HydrophobicContact CD1-CD2 4.1Å; Y51-F145 AromaticContact CD2-CD2 3.73Å; Y51-F145 HydrophobicContact CD2-CD2 3.73Å; Y51-F145 HydrophobicContact CD2-CE2 4.26Å; Y51-F145 HydrophobicContact CE1-CD2 4.08Å; Y51-F145 HydrophobicContact CE2-CB 4.16Å; Y51-F145 AromaticContact CE2-CD2 3.71Å; Y51-F145 HydrophobicContact CE2-CD2 3.71Å; Y51-F145 HydrophobicContact CE2-CG 4.42Å; Y51-F145 AromaticContact CG-CD2 3.91Å; Y51-F145 HydrophobicContact CG-CD2 3.91Å; Y51-F145 HydrophobicContact CG-CE2 4.18Å; Y51-F145 AromaticContact CZ-CD2 3.85Å; A55-F145 WeakPolarHBondContact O-CZ 3.4Å; M58-F145 HydrophobicContact CB-CD2 3.84Å; M58-F145 HydrophobicContact CB-CE2 3.61Å; M58-F145 HydrophobicContact CB-CZ 4.3Å; M58-F145 HydrophobicContact CE-CB 4.48Å; M58-F145 HydrophobicContact CG-CB 4.43Å; M58-F145 HydrophobicContact CG-CD2 3.32Å; M58-F145 HydrophobicContact CG-CE2 3.67Å; M58-F145 HydrophobicContact CG-CG 3.91Å; M58-F145 HydrophobicContact CG-CZ 4.48Å; E59-F145 HydrophobicContact CB-CE1 3.77Å; E59-F145 HydrophobicContact CB-CZ 3.68Å; E59-F145 HydrophobicContact CG-CE1 4.22Å; V62-F145 HydrophobicContact CB-CD1 4.21Å; V62-F145 HydrophobicContact CG1-CD1 4.35Å; V62-F145 HydrophobicContact CG2-CB 3.87Å; V62-F145 HydrophobicContact CG2-CD1 3.79Å; V62-F145 HydrophobicContact CG2-CG 3.89Å; H141-F145 VanDerWaalsContact O-CB 3.27Å; H141-F145 WeakPolarHBondContact O-CB 3.43Å; H141-F145 PolarHBondContact O-N 3.31Å; S142-F145 PolarHBondContact O-N 3.47Å; F145-L147 PolarHBondContact O-N 3.49Å; F145-T148 PolarHBondContact O-N 2.91Å; F145-R149 HydrophobicContact CD2-CG 4.09Å; F145-R149 HydrophobicContact CE1-CG 4.15Å; F145-R149 HydrophobicContact CE2-CG 3.57Å; F145-R149 HydrophobicContact CZ-CG 3.61Å; F145-R149 WeakPolarHBondContact O-CG 3.16Å; F145-R149 PolarHBondContact O-N 2.89Å
146	W	98.8	Very high	97	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66	-36.8	-176.1	-68	131.3	0	0	0	113.1	E59 V62 K63 W79 D103 H104 A107 S142 H144 A150	E59-W146 HydrophobicContact CG-CH2 3.6Å; E59-W146 HydrophobicContact CG-CZ2 4.45Å; E59-W146 HydrophobicContact CG-CZ3 4.16Å; V62-W146 HydrophobicContact CG1-CZ2 3.98Å; K63-W146 HydrophobicContact CG-CZ2 4.09Å; W79-W146 AromaticContact CH2-CD1 3.77Å; D103-W146 HydrophobicContact CB-CD2 3.81Å; D103-W146 HydrophobicContact CB-CE3 4.16Å; D103-W146 HydrophobicContact CB-CG 4.31Å; D103-W146 HydrophobicContact CB-CH2 4.06Å; D103-W146 HydrophobicContact CB-CZ2 3.75Å; D103-W146 HydrophobicContact CB-CZ3 4.27Å; H104-W146 AromaticContact CD2-CE3 3.4Å; H104-W146 VanDerWaalsContact CD2-CE3 3.4Å; H104-W146 AromaticContact CD2-CZ3 3.97Å; H104-W146 AromaticContact NE2-CE3 3.38Å; H104-W146 AromaticContact NE2-CZ3 3.53Å; A107-W146 HydrophobicContact CB-CB 3.53Å; S142-W146 WeakPolarHBondContact O-CB 3.3Å; S142-W146 PolarHBondContact O-N 2.75Å; H144-W146 PolarHBondContact O-N 2.94Å; W146-A150 WeakPolarHBondContact O-CB 3.45Å; W146-A150 PolarHBondContact O-N 3.24Å
147	L	98.7	Very high	97	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-68	-44.9	174	-73.2	172.8	0	0	0	111.9	A107 I108 Y111 F123 L143 H144 F145 R149 A150 I151 F185 L227	A107-L147 HydrophobicContact CB-CD2 4.08Å; A107-L147 HydrophobicContact CB-CG 4.12Å; I108-L147 HydrophobicContact CG1-CD2 4.35Å; Y111-L147 HydrophobicContact CD2-CD1 3.8Å; Y111-L147 HydrophobicContact CG-CD1 3.98Å; Y111-L147 HydrophobicContact CG-CD2 4.41Å; F123-L147 HydrophobicContact CD1-CD1 4.44Å; F123-L147 HydrophobicContact CE1-CD1 3.59Å; F123-L147 HydrophobicContact CZ-CD1 3.95Å; L143-L147 HydrophobicContact CD1-CD1 3.81Å; L143-L147 HydrophobicContact CD1-CG 3.99Å; L143-L147 HydrophobicContact CG-CD1 3.9Å; L143-L147 HydrophobicContact CG-CG 4.47Å; L143-L147 WeakPolarHBondContact O-CB 3.46Å; L143-L147 WeakPolarHBondContact O-CG 3.38Å; L143-L147 PolarHBondContact O-N 2.98Å; H144-L147 PolarHBondContact O-N 3.29Å; F145-L147 PolarHBondContact O-N 3.49Å; L147-R149 VanDerWaalsContact C-N 3.33Å; L147-R149 PolarHBondContact O-N 3.45Å; L147-A150 PolarHBondContact O-N 2.99Å; L147-I151 WeakPolarHBondContact O-CG1 3.35Å; L147-I151 PolarHBondContact O-N 2.82Å; L147-F185 HydrophobicContact CB-CD1 3.96Å; L147-F185 HydrophobicContact CB-CE1 3.41Å; L147-F185 VanDerWaalsContact CB-CE1 3.41Å; L147-F185 HydrophobicContact CB-CZ 3.79Å; L147-F185 HydrophobicContact CD1-CD1 4.29Å; L147-F185 HydrophobicContact CD1-CE1 4.41Å; L147-F185 HydrophobicContact CD1-CG 4.38Å; L147-L227 HydrophobicContact CD2-CD2 4.24Å
148	T	98.8	Very high	96.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-56.7	-48.5	176.6	-68.7	0	0	0	0	110.8	Y51 H144 F145 I151 Q152 F185 Y231	Y51-T148 HydrophobicContact CD2-CG2 3.76Å; Y51-T148 HydrophobicContact CE2-CG2 4.08Å; H144-T148 WeakPolarHBondContact O-CB 3.29Å; H144-T148 PolarHBondContact O-N 3.5Å; H144-T148 PolarHBondContact O-OG1 3.35Å; F145-T148 PolarHBondContact O-N 2.91Å; T148-I151 PolarHBondContact O-N 3.4Å; T148-Q152 VanDerWaalsContact O-CG 3.31Å; T148-Q152 WeakPolarHBondContact O-CG 3.5Å; T148-Q152 PolarHBondContact O-N 3.09Å; T148-F185 WeakPolarHBondContact OG1-CZ 3.27Å; T148-Y231 HydrophobicContact CG2-CE1 4.09Å
149	R	98.6	Very high	96.6	Very high	72 Å²	72	26.8 Å²	26.8	27%	0.272	15%	0.154	S	C	.	.	H	α-helix	trans	-65.7	-40.2	178.5	-69.1	-54.2	-55.7	166	-6.7	112.7	H104 F145 L147 I151 Q152 I153	H104-R149 WeakPolarHBondContact NE2-CB 3.18Å; F145-R149 HydrophobicContact CD2-CG 4.09Å; F145-R149 HydrophobicContact CE1-CG 4.15Å; F145-R149 HydrophobicContact CE2-CG 3.57Å; F145-R149 HydrophobicContact CZ-CG 3.61Å; F145-R149 WeakPolarHBondContact O-CG 3.16Å; F145-R149 PolarHBondContact O-N 2.89Å; L147-R149 VanDerWaalsContact C-N 3.33Å; L147-R149 PolarHBondContact O-N 3.45Å; R149-I151 VanDerWaalsContact C-N 3.35Å; R149-I151 PolarHBondContact O-N 2.82Å; R149-Q152 VanDerWaalsContact CD-OE1 3.31Å; R149-Q152 PolarHBondContact O-N 3.38Å; R149-I153 WeakPolarHBondContact O-CB 3.38Å; R149-I153 WeakPolarHBondContact O-CD1 3.44Å; R149-I153 VanDerWaalsContact O-CG1 3.29Å; R149-I153 WeakPolarHBondContact O-CG1 3.2Å; R149-I153 PolarHBondContact O-N 3.08Å
150	A	98.7	Very high	96.6	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.017	17%	0.166	C	C	.	.	H	α-helix	trans	-60.6	-43.9	176.9	0	0	0	0	0	112	L100 H104 I108 W146 L147 I153 L154	L100-A150 HydrophobicContact CD2-CB 4.18Å; H104-A150 HydrophobicContact CB-CB 4.01Å; I108-A150 HydrophobicContact CD1-CB 4.02Å; I108-A150 HydrophobicContact CG1-CB 4.27Å; W146-A150 WeakPolarHBondContact O-CB 3.45Å; W146-A150 PolarHBondContact O-N 3.24Å; L147-A150 PolarHBondContact O-N 2.99Å; A150-I153 PolarHBondContact O-N 3.45Å; A150-L154 WeakPolarHBondContact O-CB 3.26Å; A150-L154 WeakPolarHBondContact O-CG 3.1Å; A150-L154 PolarHBondContact O-N 3.03Å
151	I	98.7	Very high	96.6	Very high	2 Å²	2	32 Å²	32	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-61.1	-48.2	175.1	-67.9	169.2	0	0	0	110.3	L147 T148 R149 I153 L154 K155 F185 H209 A211 L227 P229	L147-I151 WeakPolarHBondContact O-CG1 3.35Å; L147-I151 PolarHBondContact O-N 2.82Å; T148-I151 PolarHBondContact O-N 3.4Å; R149-I151 VanDerWaalsContact C-N 3.35Å; R149-I151 PolarHBondContact O-N 2.82Å; I151-I153 PolarHBondContact O-N 3.25Å; I151-L154 PolarHBondContact O-N 3.42Å; I151-K155 WeakPolarHBondContact O-CB 3.38Å; I151-K155 PolarHBondContact O-N 2.04Å; I151-F185 HydrophobicContact CD1-CD1 3.74Å; I151-F185 HydrophobicContact CD1-CE1 3.75Å; I151-H209 WeakPolarHBondContact CG2-O 3.42Å; I151-A211 HydrophobicContact CB-CB 4.23Å; I151-A211 HydrophobicContact CG1-CB 4.41Å; I151-A211 HydrophobicContact CG2-CB 3.86Å; I151-L227 HydrophobicContact CD1-CB 4.31Å; I151-L227 HydrophobicContact CD1-CD2 3.9Å; I151-L227 HydrophobicContact CD1-CG 3.86Å; I151-L227 HydrophobicContact CG1-CB 4.49Å; I151-L227 HydrophobicContact CG1-CD2 4.3Å; I151-L227 HydrophobicContact CG1-CG 4.46Å; I151-P229 HydrophobicContact CD1-CB 4.16Å; I151-P229 HydrophobicContact CG2-CB 4.44Å; I151-P229 HydrophobicContact CG2-CG 4.31Å
152	Q	98.1	Very high	96.6	Very high	34 Å²	34	35.5 Å²	35.5	16%	0.159	19%	0.189	C	C	.	.	H	α-helix	trans	-62	-40.3	-179.2	-72.1	168	-17	0	0	112.7	M50 T148 R149 T156	M50-Q152 PolarHBondContact O-NE2 2.72Å; T148-Q152 VanDerWaalsContact O-CG 3.31Å; T148-Q152 WeakPolarHBondContact O-CG 3.5Å; T148-Q152 PolarHBondContact O-N 3.09Å; R149-Q152 VanDerWaalsContact CD-OE1 3.31Å; R149-Q152 PolarHBondContact O-N 3.38Å; Q152-T156 PolarHBondContact O-N 2.9Å; Q152-T156 PolarHBondContact O-OG1 3.3Å
153	I	97.9	Very high	96.6	Very high	18 Å²	18	39.1 Å²	39.1	9%	0.092	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-55.1	175.1	-71.4	162.5	0	0	0	110.1	A99 L100 H104 R149 A150 I151 K155 T156 S157	A99-I153 HydrophobicContact CB-CD1 4.34Å; A99-I153 HydrophobicContact CB-CG1 4.37Å; A99-I153 HydrophobicContact CB-CG2 3.83Å; L100-I153 HydrophobicContact CD2-CB 4.04Å; L100-I153 HydrophobicContact CD2-CD1 4.26Å; L100-I153 HydrophobicContact CD2-CG2 3.78Å; L100-I153 HydrophobicContact CG-CG2 3.96Å; H104-I153 WeakPolarHBondContact CE1-CD1 3.38Å; R149-I153 WeakPolarHBondContact O-CB 3.38Å; R149-I153 WeakPolarHBondContact O-CD1 3.44Å; R149-I153 VanDerWaalsContact O-CG1 3.29Å; R149-I153 WeakPolarHBondContact O-CG1 3.2Å; R149-I153 PolarHBondContact O-N 3.08Å; A150-I153 PolarHBondContact O-N 3.45Å; I151-I153 PolarHBondContact O-N 3.25Å; I153-K155 PolarHBondContact O-N 3.24Å; I153-T156 WeakPolarHBondContact O-CB 3.48Å; I153-T156 PolarHBondContact O-N 3.33Å; I153-S157 PolarHBondContact O-N 3.4Å; I153-S157 VanDerWaalsContact O-N 3.15Å; I153-S157 PolarHBondContact O-OG 2.86Å
154	L	97.9	Very high	96.6	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-59.1	-36.4	-180	-75	170.6	0	0	0	112.6	L100 I108 A150 I151 T156 S157 D158 A211 L213 Y216	L100-L154 HydrophobicContact CD1-CD2 3.85Å; L100-L154 HydrophobicContact CD1-CG 4.19Å; L100-L154 HydrophobicContact CD2-CG 4.39Å; I108-L154 HydrophobicContact CD1-CD1 4.45Å; A150-L154 WeakPolarHBondContact O-CB 3.26Å; A150-L154 WeakPolarHBondContact O-CG 3.1Å; A150-L154 PolarHBondContact O-N 3.03Å; I151-L154 PolarHBondContact O-N 3.42Å; L154-T156 VanDerWaalsContact C-N 3.34Å; L154-S157 PolarHBondContact O-N 2.94Å; L154-D158 PolarHBondContact O-N 2.85Å; L154-A211 HydrophobicContact CB-CB 3.67Å; L154-A211 HydrophobicContact CD1-CB 4.2Å; L154-L213 HydrophobicContact CD1-CD2 3.91Å; L154-Y216 HydrophobicContact CD2-CD2 4.35Å; L154-Y216 HydrophobicContact CD2-CE2 3.91Å
155	K	95.3	Very high	96.6	Very high	30 Å²	30	39.8 Å²	39.8	13%	0.13	21%	0.21	C	C	.	.	H	α-helix	trans	-70.7	-30.1	178.1	-173.5	66.1	-137.2	165	0	112.8	I151 I153 S157 D158 S159 K160 C208	I151-K155 WeakPolarHBondContact O-CB 3.38Å; I151-K155 PolarHBondContact O-N 2.04Å; I153-K155 PolarHBondContact O-N 3.24Å; K155-S157 VanDerWaalsContact C-N 3.34Å; K155-D158 VanDerWaalsContact CE-O 3.23Å; K155-D158 WeakPolarHBondContact CE-O 3.36Å; K155-D158 PolarHBondContact NZ-O 3.16Å; K155-D158 CarbonylContact O-C 3.07Å; K155-D158 PolarHBondContact O-N 3.32Å; K155-S159 WeakPolarHBondContact CE-O 3.27Å; K155-S159 PolarHBondContact NZ-O 3.4Å; K155-S159 PolarHBondContact O-N 2.95Å; K155-K160 VanDerWaalsContact NZ-C 3.33Å; K155-K160 PolarHBondContact NZ-O 3.07Å; K155-C208 WeakPolarHBondContact CD-O 3.31Å; K155-C208 WeakPolarHBondContact CE-O 3.4Å; K155-C208 PolarHBondContact NZ-O 3.19Å
156	T	93.5	Very high	96.6	Very high	122 Å²	122	42.9 Å²	42.9	75%	0.748	22%	0.222	S	C	*	.	H	α-helix	trans	-68.2	-38.8	172	-57.3	0	0	0	0	110.5	Q152 I153 L154 D158	Q152-T156 PolarHBondContact O-N 2.9Å; Q152-T156 PolarHBondContact O-OG1 3.3Å; I153-T156 WeakPolarHBondContact O-CB 3.48Å; I153-T156 PolarHBondContact O-N 3.33Å; L154-T156 VanDerWaalsContact C-N 3.34Å; T156-D158 VanDerWaalsContact C-N 3.32Å
157	S	89.9	Confident	96.5	Very high	54 Å²	54	43.9 Å²	43.9	38%	0.378	23%	0.226	S	C	.	.	H	α-helix	trans	-71.8	-25.1	176.6	-45.3	0	0	0	0	113.1	G96 I153 L154 K155	G96-S157 WeakPolarHBondContact O-CB 2.86Å; G96-S157 PolarHBondContact O-OG 3.45Å; I153-S157 PolarHBondContact O-N 3.4Å; I153-S157 VanDerWaalsContact O-N 3.15Å; I153-S157 PolarHBondContact O-OG 2.86Å; L154-S157 PolarHBondContact O-N 2.94Å; K155-S157 VanDerWaalsContact C-N 3.34Å
158	D	91.9	Very high	96.4	Very high	36 Å²	36	44.2 Å²	44.2	19%	0.193	23%	0.228	C	C	.	.			trans	-139.3	92.9	173.9	177.9	21.2	0	0	0	112.4	L154 K155 T156 K160 R162	L154-D158 PolarHBondContact O-N 2.85Å; K155-D158 VanDerWaalsContact CE-O 3.23Å; K155-D158 WeakPolarHBondContact CE-O 3.36Å; K155-D158 PolarHBondContact NZ-O 3.16Å; K155-D158 CarbonylContact O-C 3.07Å; K155-D158 PolarHBondContact O-N 3.32Å; T156-D158 VanDerWaalsContact C-N 3.32Å; D158-K160 PolarHBondContact O-N 3.25Å; D158-K160 WeakPolarHBondContact OD1-CB 3.14Å; D158-K160 WeakPolarHBondContact OD1-CG 3.31Å; D158-K160 PolarHBondContact OD1-N 3.37Å; D158-R162 IonicContact OD2-CZ 3.18Å; D158-R162 IonicContact OD2-NE 3.88Å; D158-R162 PolarHBondContact OD2-NE 2.92Å; D158-R162 IonicContact OD2-NH2 2.69Å; D158-R162 PolarHBondContact OD2-NH2 2.75Å
159	S	90.8	Very high	96.3	Very high	99 Å²	99	51.8 Å²	51.8	69%	0.692	26%	0.261	S	S	*	.			trans	-71.6	-8.4	-176.9	63.2	0	0	0	0	114.4	K155	K155-S159 WeakPolarHBondContact CE-O 3.27Å; K155-S159 PolarHBondContact NZ-O 3.4Å; K155-S159 PolarHBondContact O-N 2.95Å
160	K	93.4	Very high	96.1	Very high	145 Å²	145	51 Å²	51	63%	0.63	27%	0.266	S	S	*	.			trans	-68.4	135.1	-173.5	-63.3	174.7	-176.6	174.4	0	112.8	K155 D158	K155-K160 VanDerWaalsContact NZ-C 3.33Å; K155-K160 PolarHBondContact NZ-O 3.07Å; D158-K160 PolarHBondContact O-N 3.25Å; D158-K160 WeakPolarHBondContact OD1-CB 3.14Å; D158-K160 WeakPolarHBondContact OD1-CG 3.31Å; D158-K160 PolarHBondContact OD1-N 3.37Å
161	C	97.8	Very high	96	Very high	47 Å²	47	55.4 Å²	55.4	32%	0.318	29%	0.285	S	S	.	.			trans	-69.3	145.6	165.1	-52	0	0	0	0	109.9	R206 T207 C208	C161-R206 VanDerWaalsContact CB-CZ 3.48Å; C161-R206 PolarHBondContact SG-NH1 2.91Å; C161-R206 PolarHBondContact SG-NH2 3.44Å; C161-T207 CarbonylContact C-O 3.58Å; C161-T207 WeakPolarHBondContact CA-O 3.48Å; C161-T207 VanDerWaalsContact CB-O 3.27Å; C161-T207 WeakPolarHBondContact CB-O 3.34Å; C161-C208 HydrophobicContact CB-CB 4.08Å; C161-C208 WeakPolarHBondContact CB-SG 3.28Å; C161-C208 VanDerWaalsContact SG-CA 3.58Å; C161-C208 WeakPolarHBondContact SG-CB 3.08Å; C161-C208 CovalentContact SG-SG 2.05Å; C161-C208 PolarHBondContact SG-SG 3.39Å
162	R	96.8	Very high	95.9	Very high	78 Å²	78	56.7 Å²	56.7	29%	0.294	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.1	-172.7	-69	176.8	169.3	-89.6	1.8	111.2	D158 T164 R206 T207	D158-R162 IonicContact OD2-CZ 3.18Å; D158-R162 IonicContact OD2-NE 3.88Å; D158-R162 PolarHBondContact OD2-NE 2.92Å; D158-R162 IonicContact OD2-NH2 2.69Å; D158-R162 PolarHBondContact OD2-NH2 2.75Å; R162-T164 HydrophobicContact CB-CG2 4.3Å; R162-R206 CarbonylContact O-C 3.47Å; R162-R206 WeakPolarHBondContact O-CA 3.25Å; R162-T207 PolarHBondContact N-O 3.37Å; R162-T207 PolarHBondContact O-N 2.97Å
163	I	98	Very high	95.8	Very high	76 Å²	76	58 Å²	58	39%	0.39	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124.6	167.8	-58.4	-62.8	0	0	0	108.1	F165 K204 I205 R206	I163-F165 HydrophobicContact CG2-CE2 4.43Å; I163-F165 HydrophobicContact CG2-CZ 4.14Å; I163-K204 HydrophobicContact CG2-CD 4.43Å; I163-K204 HydrophobicContact CG2-CG 4Å; I163-I205 CarbonylContact C-O 3.56Å; I163-I205 WeakPolarHBondContact CA-O 3.47Å; I163-R206 HydrophobicContact CD1-CB 3.6Å; I163-R206 HydrophobicContact CD1-CG 3.71Å
164	T	98.3	Very high	95.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	167.7	180	71.4	0	0	0	0	110.7	R162 T188 S189 K204 I205 T207 V226	R162-T164 HydrophobicContact CB-CG2 4.3Å; T164-T188 VanDerWaalsContact CB-OG1 3.25Å; T164-T188 WeakPolarHBondContact CB-OG1 3.32Å; T164-T188 WeakPolarHBondContact OG1-CB 3.25Å; T164-T188 PolarHBondContact OG1-OG1 3.19Å; T164-S189 CarbonylContact C-O 3.34Å; T164-S189 VanDerWaalsContact CA-O 3.29Å; T164-S189 WeakPolarHBondContact CA-O 3.06Å; T164-S189 WeakPolarHBondContact CB-O 3.22Å; T164-K204 WeakPolarHBondContact O-CA 3.33Å; T164-I205 PolarHBondContact N-O 2.69Å; T164-I205 PolarHBondContact O-N 3.19Å; T164-T207 HydrophobicContact CG2-CG2 3.97Å; T164-V226 HydrophobicContact CG2-CB 3.71Å; T164-V226 HydrophobicContact CG2-CG1 3.84Å; T164-V226 HydrophobicContact CG2-CG2 3.7Å
165	F	98.4	Very high	95.4	Very high	13 Å²	13	61.5 Å²	61.5	6%	0.057	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138	-176.7	-56.5	-82.8	0	0	0	110	I163 T188 S189 V190 F203 K204 K245 L246	I163-F165 HydrophobicContact CG2-CE2 4.43Å; I163-F165 HydrophobicContact CG2-CZ 4.14Å; F165-T188 CarbonylContact O-C 3.57Å; F165-T188 WeakPolarHBondContact O-CA 3.48Å; F165-S189 PolarHBondContact N-O 3.46Å; F165-S189 PolarHBondContact O-N 2.84Å; F165-V190 WeakPolarHBondContact CD2-O 3.12Å; F165-V190 WeakPolarHBondContact CE2-O 3.38Å; F165-F203 VanDerWaalsContact CA-O 3.26Å; F165-F203 WeakPolarHBondContact CA-O 3.24Å; F165-K204 HydrophobicContact CD1-CB 4.27Å; F165-K204 HydrophobicContact CD1-CG 4.4Å; F165-K204 HydrophobicContact CE1-CB 4.16Å; F165-K204 HydrophobicContact CE1-CD 4.3Å; F165-K204 HydrophobicContact CE1-CG 3.91Å; F165-K245 HydrophobicContact CE1-CD 4.49Å; F165-K245 HydrophobicContact CZ-CD 3.91Å; F165-L246 HydrophobicContact CD1-CD1 4.05Å; F165-L246 HydrophobicContact CD1-CD2 4.24Å; F165-L246 HydrophobicContact CD1-CG 4.25Å
166	R	98.1	Very high	95.4	Very high	66 Å²	66	62.6 Å²	62.6	25%	0.249	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.9	170.9	-179.4	174.4	173.3	78.7	-1	108.8	T168 S187 T188 C202 F203 I205	R166-T168 HydrophobicContact CG-CG2 4.21Å; R166-S187 PolarHBondContact NH1-O 3.27Å; R166-T188 HydrophobicContact CB-CG2 4.12Å; R166-C202 CarbonylContact O-C 3.39Å; R166-C202 VanDerWaalsContact O-CA 3.25Å; R166-C202 WeakPolarHBondContact O-CA 3.26Å; R166-F203 HydrophobicContact CB-CB 4.19Å; R166-F203 HydrophobicContact CB-CD2 4.13Å; R166-F203 HydrophobicContact CG-CD2 4.26Å; R166-F203 PolarHBondContact N-O 3.48Å; R166-F203 PolarHBondContact O-N 2.8Å; R166-I205 HydrophobicContact CB-CD1 4.15Å
167	R	97.3	Very high	95.5	Very high	20 Å²	20	60.4 Å²	60.4	8%	0.075	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.3	179.6	-76.5	177.1	169.2	-93.9	4.3	108.6	S192 L194 F197 G198 C202 D248	R167-S192 VanDerWaalsContact CZ-O 3.22Å; R167-S192 PolarHBondContact NE-O 3.33Å; R167-S192 PolarHBondContact NH2-O 3.34Å; R167-L194 WeakPolarHBondContact CD-O 3.46Å; R167-F197 HydrophobicContact CB-CB 3.93Å; R167-F197 WeakPolarHBondContact O-CB 3.45Å; R167-G198 WeakPolarHBondContact CB-O 3.29Å; R167-C202 HydrophobicContact CG-CB 4.48Å; R167-D248 IonicContact CZ-OD1 3.37Å; R167-D248 IonicContact CZ-OD2 2.73Å; R167-D248 IonicContact NH1-OD1 3.48Å; R167-D248 PolarHBondContact NH1-OD1 3.27Å; R167-D248 IonicContact NH1-OD2 3.14Å; R167-D248 PolarHBondContact NH1-OD2 3.13Å; R167-D248 IonicContact NH2-OD1 3.37Å; R167-D248 PolarHBondContact NH2-OD1 3.46Å; R167-D248 IonicContact NH2-OD2 3.64Å; R167-D248 PolarHBondContact NH2-OD2 3.22Å
168	T	96.6	Very high	95.8	Very high	9 Å²	9	63.4 Å²	63.4	6%	0.055	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	153.3	-178.5	70.3	0	0	0	0	112.1	R166 S170 F172 F197 T199 T200 T201 F203	R166-T168 HydrophobicContact CG-CG2 4.21Å; T168-S170 PolarHBondContact OG1-O 2.92Å; T168-S170 VanDerWaalsContact OG1-O 3.09Å; T168-F172 HydrophobicContact CG2-CE2 4.14Å; T168-F197 CarbonylContact C-O 3.52Å; T168-F197 WeakPolarHBondContact CA-O 3.02Å; T168-T199 PolarHBondContact O-N 3.12Å; T168-T200 PolarHBondContact O-N 3.15Å; T168-T201 PolarHBondContact N-O 2.81Å; T168-T201 PolarHBondContact O-N 2.92Å; T168-T201 PolarHBondContact OG1-O 2.97Å; T168-F203 HydrophobicContact CG2-CE2 4.27Å
169	K	96	Very high	96.1	Very high	158 Å²	158	64.9 Å²	64.9	69%	0.687	34%	0.341	S	S	*	.	S	Bend	trans	-82.5	-17.9	166.4	-60.6	-178.6	-177.1	-179.8	0	112.7	F197 T200	K169-F197 PolarHBondContact N-O 2.8Å; K169-T200 WeakPolarHBondContact O-CB 3.28Å; K169-T200 PolarHBondContact O-OG1 3.38Å
170	S	95.3	Very high	96.5	Very high	55 Å²	55	60.1 Å²	60.1	39%	0.385	31%	0.308	S	S	.	.	S	Bend	trans	-78.4	149.2	178.9	-46	0	0	0	0	112.7	T168 T200 T201	T168-S170 PolarHBondContact OG1-O 2.92Å; T168-S170 VanDerWaalsContact OG1-O 3.09Å; S170-T200 WeakPolarHBondContact O-CG2 3.44Å; S170-T201 WeakPolarHBondContact O-CB 3.38Å; S170-T201 PolarHBondContact O-OG1 2.78Å
171	K	96.4	Very high	96.7	Very high	96 Å²	96	53.4 Å²	53.4	42%	0.417	28%	0.279	S	S	.	.			trans	-89.3	119.8	173.1	-178.4	179.9	177.4	-174.9	0	109.3	D35 S37 I38 T200	D35-K171 IonicContact OD1-NZ 2.63Å; D35-K171 PolarHBondContact OD1-NZ 2.82Å; D35-K171 VanDerWaalsContact OD1-NZ 3.14Å; S37-K171 WeakPolarHBondContact CA-O 2.94Å; I38-K171 PolarHBondContact N-O 2.82Å; K171-T200 HydrophobicContact CB-CG2 4.08Å
172	F	95.7	Very high	96.7	Very high	28 Å²	28	52 Å²	52	12%	0.123	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	145.7	174	-67.2	-100.7	0	0	0	112.6	I38 L40 T168 T201 F203 Y253	I38-F172 HydrophobicContact CB-CD1 3.71Å; I38-F172 HydrophobicContact CB-CE1 3.83Å; I38-F172 HydrophobicContact CB-CG 4.31Å; I38-F172 HydrophobicContact CD1-CE1 4.17Å; I38-F172 HydrophobicContact CD1-CZ 4.08Å; I38-F172 HydrophobicContact CG2-CD1 3.76Å; I38-F172 HydrophobicContact CG2-CE1 3.58Å; I38-F172 HydrophobicContact CG2-CZ 4.5Å; I38-F172 CarbonylContact O-C 3.52Å; I38-F172 WeakPolarHBondContact O-CA 2.91Å; I38-F172 WeakPolarHBondContact O-CD1 3.19Å; L40-F172 HydrophobicContact CD1-CB 4.35Å; L40-F172 HydrophobicContact CD2-CB 4.23Å; L40-F172 HydrophobicContact CD2-CD1 3.47Å; L40-F172 VanDerWaalsContact CD2-CD1 3.47Å; L40-F172 HydrophobicContact CD2-CE1 4.13Å; L40-F172 HydrophobicContact CD2-CG 4.13Å; L40-F172 HydrophobicContact CG-CB 4.09Å; L40-F172 HydrophobicContact CG-CD1 4.11Å; T168-F172 HydrophobicContact CG2-CE2 4.14Å; F172-T201 HydrophobicContact CB-CG2 4.11Å; F172-T201 HydrophobicContact CD2-CG2 4.07Å; F172-T201 PolarHBondContact N-OG1 3.43Å; F172-T201 VanDerWaalsContact N-OG1 3.15Å; F172-F203 HydrophobicContact CB-CZ 4.31Å; F172-F203 HydrophobicContact CD1-CZ 4.43Å; F172-F203 HydrophobicContact CD2-CE2 4.17Å; F172-F203 AromaticContact CD2-CZ 3.92Å; F172-F203 HydrophobicContact CD2-CZ 3.92Å; F172-F203 HydrophobicContact CE2-CE2 4.29Å; F172-F203 HydrophobicContact CE2-CZ 4.3Å; F172-F203 AromaticContact CG-CZ 3.98Å; F172-F203 HydrophobicContact CG-CZ 3.98Å; F172-Y253 HydrophobicContact CB-CE2 4.16Å; F172-Y253 PolarHBondContact O-OH 3.5Å
173	T	95.9	Very high	96.7	Very high	61 Å²	61	48.3 Å²	48.3	37%	0.374	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.5	175.4	47.9	0	0	0	0	110.2	I38 P39 L40 Y253	I38-T173 PolarHBondContact O-N 3.48Å; P39-T173 CarbonylContact C-O 3.56Å; P39-T173 WeakPolarHBondContact CA-O 3.43Å; L40-T173 PolarHBondContact N-O 3.43Å; T173-Y253 WeakPolarHBondContact CA-OH 3.32Å
174	G	93.8	Very high	96.7	Very high	14 Å²	14	45.5 Å²	45.5	14%	0.144	24%	0.24	C	C	.	.			trans	-145.5	147.3	-179.6	0	0	0	0	0	110.9	Y253	G174-Y253 PolarHBondContact N-OH 3.36Å
175	V	94.6	Very high	96.7	Very high	84 Å²	84	45.5 Å²	45.5	51%	0.509	24%	0.24	S	C	.	.			trans	-102.5	130.5	179.5	-178.1	0	0	0	0	108.6	K178 I236	V175-K178 HydrophobicContact CB-CD 3.84Å; V175-K178 HydrophobicContact CB-CG 3.93Å; V175-K178 HydrophobicContact CG1-CG 4.42Å; V175-K178 HydrophobicContact CG2-CD 4.29Å; V175-K178 WeakPolarHBondContact O-CB 3.49Å; V175-K178 PolarHBondContact O-N 3.23Å; V175-K178 VanDerWaalsContact O-N 3.12Å; V175-I236 WeakPolarHBondContact O-CD1 3.35Å
176	V	95.4	Very high	96.6	Very high	54 Å²	54	44.9 Å²	44.9	33%	0.327	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	144.9	175.5	177.3	0	0	0	0	110.1	K178 I236 V237 N239	V176-K178 PolarHBondContact O-N 2.83Å; V176-I236 HydrophobicContact CG2-CG2 4.4Å; V176-V237 WeakPolarHBondContact CG1-O 3.28Å; V176-N239 HydrophobicContact CG2-CB 4.14Å; V176-N239 VanDerWaalsContact CG2-OD1 3.27Å; V176-N239 WeakPolarHBondContact CG2-OD1 3.48Å
177	S	95.1	Very high	96.6	Very high	76 Å²	76	43.2 Å²	43.2	53%	0.531	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	-7	-173.7	-59.2	0	0	0	0	116.8	I236	S177-I236 WeakPolarHBondContact CA-O 3.06Å; S177-I236 PolarHBondContact N-O 2.98Å
178	K	96.8	Very high	96.7	Very high	117 Å²	117	42.6 Å²	42.6	51%	0.509	23%	0.234	S	C	.	.			trans	-69.6	144.8	169.4	-73.1	-165.2	178	-173.4	0	111.4	V175 V176 I180 K235 I236	V175-K178 HydrophobicContact CB-CD 3.84Å; V175-K178 HydrophobicContact CB-CG 3.93Å; V175-K178 HydrophobicContact CG1-CG 4.42Å; V175-K178 HydrophobicContact CG2-CD 4.29Å; V175-K178 WeakPolarHBondContact O-CB 3.49Å; V175-K178 PolarHBondContact O-N 3.23Å; V175-K178 VanDerWaalsContact O-N 3.12Å; V176-K178 PolarHBondContact O-N 2.83Å; K178-I180 HydrophobicContact CB-CG2 4.49Å; K178-K235 WeakPolarHBondContact O-CA 3.34Å; K178-I236 PolarHBondContact O-N 2.91Å
179	V	98.2	Very high	96.8	Very high	66 Å²	66	42.5 Å²	42.5	40%	0.4	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	133.9	166.3	-179.4	0	0	0	0	108.1	M42 F234	M42-V179 HydrophobicContact SD-CG1 4Å; V179-F234 CarbonylContact C-O 3.42Å; V179-F234 VanDerWaalsContact CA-O 3.29Å; V179-F234 WeakPolarHBondContact CA-O 3.41Å
180	I	98.3	Very high	96.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	167.3	-178.6	67.5	85.3	0	0	0	109.3	L40 D41 K178 T233 F234 I236 L255	L40-I180 HydrophobicContact CB-CB 4.29Å; L40-I180 HydrophobicContact CB-CG1 4.46Å; L40-I180 HydrophobicContact CB-CG2 3.87Å; L40-I180 WeakPolarHBondContact O-CG2 3.35Å; D41-I180 CarbonylContact O-C 3.58Å; D41-I180 VanDerWaalsContact O-CA 3.31Å; D41-I180 WeakPolarHBondContact O-CA 3.4Å; D41-I180 WeakPolarHBondContact O-CB 3.27Å; K178-I180 HydrophobicContact CB-CG2 4.49Å; I180-T233 WeakPolarHBondContact O-CA 3.41Å; I180-F234 HydrophobicContact CD1-CB 4.17Å; I180-F234 HydrophobicContact CD1-CD2 4.4Å; I180-F234 HydrophobicContact CG1-CB 4.4Å; I180-F234 PolarHBondContact N-O 3.15Å; I180-F234 PolarHBondContact O-N 3.44Å; I180-I236 HydrophobicContact CG1-CD1 4.48Å; I180-I236 HydrophobicContact CG1-CG1 4.21Å; I180-I236 HydrophobicContact CG2-CD1 3.86Å; I180-I236 HydrophobicContact CG2-CG1 4.26Å; I180-L255 HydrophobicContact CD1-CD1 4.1Å
181	R	97.4	Very high	97	Very high	4 Å²	4	37 Å²	37	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147.3	171.2	-172.4	163.9	71.5	142.7	7.9	108.4	D41 M42 V43 D48 G183 P230 E232 Q261	D41-R181 PolarHBondContact O-N 3.08Å; M42-R181 PolarHBondContact O-NE 3.22Å; M42-R181 PolarHBondContact O-NH2 2.85Å; V43-R181 VanDerWaalsContact CG2-O 3.3Å; V43-R181 WeakPolarHBondContact CG2-O 3.44Å; V43-R181 PolarHBondContact O-NH2 3.36Å; D48-R181 VanDerWaalsContact CG-NH1 3.3Å; D48-R181 IonicContact OD2-CZ 3Å; D48-R181 IonicContact OD2-NH1 2.8Å; D48-R181 PolarHBondContact OD2-NH1 2.65Å; D48-R181 IonicContact OD2-NH2 2.9Å; D48-R181 PolarHBondContact OD2-NH2 3.03Å; R181-G183 VanDerWaalsContact C-N 3.3Å; R181-P230 WeakPolarHBondContact CD-O 3.26Å; R181-P230 WeakPolarHBondContact CG-O 3.29Å; R181-E232 WeakPolarHBondContact CG-O 3.31Å; R181-Q261 PolarHBondContact NH1-O 3.37Å
182	F	98.1	Very high	97	Very high	18 Å²	18	33.1 Å²	33.1	8%	0.079	19%	0.194	C	C	.	.			trans	-72.5	-30.3	173.9	-70.8	-70.4	0	0	0	111.9	R128 T184 T186 F203 I205 F234 L255	R128-F182 PolarHBondContact NH1-O 2.93Å; F182-T184 PolarHBondContact O-N 3.21Å; F182-T186 HydrophobicContact CB-CG2 4.34Å; F182-T186 WeakPolarHBondContact CB-OG1 3.23Å; F182-T186 HydrophobicContact CD1-CG2 4.06Å; F182-T186 HydrophobicContact CD2-CG2 3.87Å; F182-T186 HydrophobicContact CE1-CG2 4.32Å; F182-T186 HydrophobicContact CE2-CG2 4.15Å; F182-T186 HydrophobicContact CG-CG2 3.83Å; F182-T186 WeakPolarHBondContact CG-OG1 3.3Å; F182-T186 HydrophobicContact CZ-CG2 4.36Å; F182-F203 HydrophobicContact CE1-CD1 4.43Å; F182-F203 HydrophobicContact CE1-CE1 4.3Å; F182-F203 HydrophobicContact CE1-CZ 4.49Å; F182-F203 HydrophobicContact CZ-CD1 4.32Å; F182-I205 HydrophobicContact CE2-CD1 3.87Å; F182-I205 HydrophobicContact CZ-CD1 3.68Å; F182-I205 HydrophobicContact CZ-CG1 4.49Å; F182-F234 HydrophobicContact CD2-CD2 4.2Å; F182-F234 AromaticContact CD2-CE2 3.81Å; F182-F234 HydrophobicContact CD2-CE2 3.81Å; F182-F234 HydrophobicContact CE2-CD2 4.13Å; F182-F234 AromaticContact CE2-CE2 3.9Å; F182-F234 HydrophobicContact CE2-CE2 3.9Å; F182-F234 HydrophobicContact CE2-CZ 4.41Å; F182-L255 HydrophobicContact CE1-CD1 4.49Å; F182-L255 HydrophobicContact CE2-CD1 4.1Å; F182-L255 HydrophobicContact CZ-CD1 3.63Å
183	G	96.4	Very high	97	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.217	C	C	.	.			trans	66	17.9	177.6	0	0	0	0	0	113.5	S46 R181	S46-G183 WeakPolarHBondContact CB-O 3.33Å; S46-G183 VanDerWaalsContact OG-CA 3.3Å; S46-G183 WeakPolarHBondContact OG-CA 3.43Å; S46-G183 PolarHBondContact OG-O 2.94Å; R181-G183 VanDerWaalsContact C-N 3.3Å
184	T	97.6	Very high	97	Very high	16 Å²	16	35 Å²	35	10%	0.098	21%	0.207	C	C	.	.	S	Bend	trans	-148	165.4	174.6	67.5	0	0	0	0	109.3	N124 R128 F182 T186	N124-T184 HydrophobicContact CB-CG2 4.1Å; N124-T184 VanDerWaalsContact O-CG2 3.25Å; N124-T184 WeakPolarHBondContact O-CG2 3.49Å; R128-T184 HydrophobicContact CB-CG2 3.65Å; R128-T184 HydrophobicContact CG-CG2 4.28Å; F182-T184 PolarHBondContact O-N 3.21Å; T184-T186 PolarHBondContact O-N 3.41Å; T184-T186 VanDerWaalsContact O-N 3.14Å; T184-T186 PolarHBondContact O-OG1 2.89Å; T184-T186 PolarHBondContact OG1-OG1 3.02Å
185	F	98.5	Very high	97.2	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.222	C	C	.	.			trans	-61.6	119.2	162.5	-69	-94.4	0	0	0	108.3	Y111 F123 N124 H144 L147 T148 I151 L227 I228 P230	Y111-F185 HydrophobicContact CE2-CB 3.86Å; Y111-F185 PolarHBondContact OH-O 2.86Å; F123-F185 HydrophobicContact CE1-CB 4.3Å; F123-F185 AromaticContact CE1-CD2 3.35Å; F123-F185 HydrophobicContact CE1-CD2 3.35Å; F123-F185 AromaticContact CE1-CE2 3.87Å; F123-F185 HydrophobicContact CE1-CE2 3.87Å; F123-F185 AromaticContact CE1-CG 3.97Å; F123-F185 HydrophobicContact CE1-CG 3.97Å; F123-F185 AromaticContact CZ-CD2 3.56Å; F123-F185 HydrophobicContact CZ-CD2 3.56Å; F123-F185 AromaticContact CZ-CE2 3.57Å; F123-F185 HydrophobicContact CZ-CE2 3.57Å; F123-F185 HydrophobicContact CZ-CG 4.5Å; F123-F185 HydrophobicContact CZ-CZ 4.49Å; N124-F185 PolarHBondContact ND2-O 3.06Å; N124-F185 PolarHBondContact OD1-N 3.12Å; N124-F185 PolarHBondContact OD1-O 3.25Å; H144-F185 AromaticContact CD2-CE2 3.54Å; H144-F185 AromaticContact NE2-CE2 3.87Å; L147-F185 HydrophobicContact CB-CD1 3.96Å; L147-F185 HydrophobicContact CB-CE1 3.41Å; L147-F185 VanDerWaalsContact CB-CE1 3.41Å; L147-F185 HydrophobicContact CB-CZ 3.79Å; L147-F185 HydrophobicContact CD1-CD1 4.29Å; L147-F185 HydrophobicContact CD1-CE1 4.41Å; L147-F185 HydrophobicContact CD1-CG 4.38Å; T148-F185 WeakPolarHBondContact OG1-CZ 3.27Å; I151-F185 HydrophobicContact CD1-CD1 3.74Å; I151-F185 HydrophobicContact CD1-CE1 3.75Å; F185-L227 HydrophobicContact CB-CD1 4.12Å; F185-L227 HydrophobicContact CD1-CD2 4.15Å; F185-L227 HydrophobicContact CD1-CG 4.39Å; F185-I228 WeakPolarHBondContact CA-O 3.49Å; F185-P230 HydrophobicContact CD2-CG 4.49Å; F185-P230 HydrophobicContact CE2-CG 4.11Å; F185-P230 HydrophobicContact CZ-CG 4.34Å
186	T	98.1	Very high	97.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	104.4	-168.3	-62.3	0	0	0	0	109.9	F182 T184 T188 I228	F182-T186 HydrophobicContact CB-CG2 4.34Å; F182-T186 WeakPolarHBondContact CB-OG1 3.23Å; F182-T186 HydrophobicContact CD1-CG2 4.06Å; F182-T186 HydrophobicContact CD2-CG2 3.87Å; F182-T186 HydrophobicContact CE1-CG2 4.32Å; F182-T186 HydrophobicContact CE2-CG2 4.15Å; F182-T186 HydrophobicContact CG-CG2 3.83Å; F182-T186 WeakPolarHBondContact CG-OG1 3.3Å; F182-T186 HydrophobicContact CZ-CG2 4.36Å; T184-T186 PolarHBondContact O-N 3.41Å; T184-T186 VanDerWaalsContact O-N 3.14Å; T184-T186 PolarHBondContact O-OG1 2.89Å; T184-T186 PolarHBondContact OG1-OG1 3.02Å; T186-T188 HydrophobicContact CG2-CG2 4.15Å; T186-T188 PolarHBondContact O-N 3.14Å; T186-I228 PolarHBondContact N-O 2.96Å; T186-I228 PolarHBondContact O-N 2.88Å
187	S	97.6	Very high	97.1	Very high	31 Å²	31	40.1 Å²	40.1	22%	0.217	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	125.9	173.6	-60.1	0	0	0	0	110.4	Y111 R166 E225	Y111-S187 VanDerWaalsContact CE1-OG 3.26Å; Y111-S187 WeakPolarHBondContact CE1-OG 3.46Å; Y111-S187 PolarHBondContact OH-OG 3.01Å; R166-S187 PolarHBondContact NH1-O 3.27Å; S187-E225 WeakPolarHBondContact CB-OE1 3.29Å; S187-E225 PolarHBondContact OG-OE1 3.5Å
188	T	98.5	Very high	97.2	Very high	6 Å²	6	36.9 Å²	36.9	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	169.6	172.6	71.6	0	0	0	0	108.5	T164 F165 R166 T186 I205 E225 V226 I228	T164-T188 VanDerWaalsContact CB-OG1 3.25Å; T164-T188 WeakPolarHBondContact CB-OG1 3.32Å; T164-T188 WeakPolarHBondContact OG1-CB 3.25Å; T164-T188 PolarHBondContact OG1-OG1 3.19Å; F165-T188 CarbonylContact O-C 3.57Å; F165-T188 WeakPolarHBondContact O-CA 3.48Å; R166-T188 HydrophobicContact CB-CG2 4.12Å; T186-T188 HydrophobicContact CG2-CG2 4.15Å; T186-T188 PolarHBondContact O-N 3.14Å; T188-I205 HydrophobicContact CG2-CD1 3.78Å; T188-E225 CarbonylContact O-C 3.54Å; T188-E225 WeakPolarHBondContact O-CA 3.38Å; T188-V226 PolarHBondContact N-O 3.3Å; T188-V226 PolarHBondContact O-N 3.44Å; T188-V226 WeakPolarHBondContact OG1-CB 3.39Å; T188-V226 PolarHBondContact OG1-O 3.31Å; T188-I228 HydrophobicContact CG2-CD1 3.55Å; T188-I228 HydrophobicContact CG2-CG1 4.18Å
189	S	98.4	Very high	97.1	Very high	7 Å²	7	33.7 Å²	33.7	5%	0.049	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	150.3	-179.7	179.2	0	0	0	0	111.2	T164 F165 L191 L194 E223	T164-S189 CarbonylContact C-O 3.34Å; T164-S189 VanDerWaalsContact CA-O 3.29Å; T164-S189 WeakPolarHBondContact CA-O 3.06Å; T164-S189 WeakPolarHBondContact CB-O 3.22Å; F165-S189 PolarHBondContact N-O 3.46Å; F165-S189 PolarHBondContact O-N 2.84Å; S189-L191 PolarHBondContact O-N 2.88Å; S189-L191 WeakPolarHBondContact OG-CB 3.26Å; S189-L191 PolarHBondContact OG-N 2.99Å; S189-L191 PolarHBondContact OG-O 3.25Å; S189-L194 WeakPolarHBondContact OG-CD1 3.45Å; S189-E223 VanDerWaalsContact CB-O 3.26Å; S189-E223 WeakPolarHBondContact CB-O 3.26Å; S189-E223 PolarHBondContact OG-O 3.18Å
190	V	97.8	Very high	97	Very high	50 Å²	50	32.1 Å²	32.1	30%	0.303	19%	0.185	S	C	.	.	S	Bend	trans	-64.9	-26.7	164	-179.4	0	0	0	0	111	F165 Q224 V226	F165-V190 WeakPolarHBondContact CD2-O 3.12Å; F165-V190 WeakPolarHBondContact CE2-O 3.38Å; V190-Q224 HydrophobicContact CB-CB 4.09Å; V190-Q224 HydrophobicContact CG2-CB 4.38Å; V190-Q224 PolarHBondContact N-O 3.02Å; V190-Q224 VanDerWaalsContact N-O 3.16Å; V190-V226 HydrophobicContact CG2-CG2 4.02Å
191	L	97.7	Very high	96.9	Very high	48 Å²	48	32.1 Å²	32.1	25%	0.251	19%	0.185	S	C	.	.			trans	-83.1	123.4	179.6	-56	176.2	0	0	0	111	S189 T193 L194 Q224	S189-L191 PolarHBondContact O-N 2.88Å; S189-L191 WeakPolarHBondContact OG-CB 3.26Å; S189-L191 PolarHBondContact OG-N 2.99Å; S189-L191 PolarHBondContact OG-O 3.25Å; L191-T193 PolarHBondContact O-N 2.83Å; L191-L194 HydrophobicContact CB-CD1 4.43Å; L191-L194 HydrophobicContact CB-CD2 4.48Å; L191-L194 HydrophobicContact CB-CG 4.09Å; L191-L194 HydrophobicContact CD1-CD2 4.13Å; L191-Q224 HydrophobicContact CD1-CG 4.2Å; L191-Q224 HydrophobicContact CG-CB 4.27Å; L191-Q224 HydrophobicContact CG-CG 4.22Å
192	S	96.8	Very high	96.9	Very high	15 Å²	15	32 Å²	32	11%	0.105	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-3.9	172.2	65.4	0	0	0	0	113.4	R167 K245	R167-S192 VanDerWaalsContact CZ-O 3.22Å; R167-S192 PolarHBondContact NE-O 3.33Å; R167-S192 PolarHBondContact NH2-O 3.34Å; S192-K245 PolarHBondContact OG-O 2.79Å
193	T	96.7	Very high	96.9	Very high	97 Å²	97	31.1 Å²	31.1	60%	0.595	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.5	2.9	-166.8	51	0	0	0	0	114.5	L191 T195	L191-T193 PolarHBondContact O-N 2.83Å; T193-T195 PolarHBondContact O-N 3.41Å
194	L	96.1	Very high	97	Very high	31 Å²	31	34 Å²	34	16%	0.162	19%	0.193	C	C	.	.			trans	-77.2	65.1	-179.8	-54.7	-179.3	0	0	0	111.8	R167 S189 L191 N196 F197 E223	R167-L194 WeakPolarHBondContact CD-O 3.46Å; S189-L194 WeakPolarHBondContact OG-CD1 3.45Å; L191-L194 HydrophobicContact CB-CD1 4.43Å; L191-L194 HydrophobicContact CB-CD2 4.48Å; L191-L194 HydrophobicContact CB-CG 4.09Å; L191-L194 HydrophobicContact CD1-CD2 4.13Å; L194-N196 VanDerWaalsContact C-OD1 3.31Å; L194-N196 PolarHBondContact O-N 2.96Å; L194-N196 PolarHBondContact O-OD1 2.58Å; L194-F197 HydrophobicContact CB-CD2 3.67Å; L194-F197 HydrophobicContact CB-CE2 3.91Å; L194-F197 HydrophobicContact CD1-CD2 4.47Å; L194-F197 HydrophobicContact CD1-CE2 4Å; L194-F197 WeakPolarHBondContact O-CD2 3.06Å; L194-F197 PolarHBondContact O-N 3Å; L194-E223 HydrophobicContact CD1-CB 4.13Å; L194-E223 HydrophobicContact CD1-CG 4.37Å
195	T	96.1	Very high	97	Very high	76 Å²	76	33.3 Å²	33.3	47%	0.466	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-65.9	-20.6	-174	56.2	0	0	0	0	113.7	T193 F197 G198 D248	T193-T195 PolarHBondContact O-N 3.41Å; T195-F197 PolarHBondContact O-N 3.38Å; T195-F197 VanDerWaalsContact O-N 3.12Å; T195-G198 PolarHBondContact O-N 3.49Å; T195-D248 WeakPolarHBondContact CG2-OD2 3.27Å
196	N	94.6	Very high	97	Very high	103 Å²	103	37.9 Å²	37.9	55%	0.551	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-58.2	-23.4	175.9	61.6	-58.2	0	0	0	113.4	L194 G198	L194-N196 VanDerWaalsContact C-OD1 3.31Å; L194-N196 PolarHBondContact O-N 2.96Å; L194-N196 PolarHBondContact O-OD1 2.58Å; N196-G198 VanDerWaalsContact C-N 3.3Å
197	F	94.3	Very high	97	Very high	80 Å²	80	37.9 Å²	37.9	35%	0.351	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-78.9	-9.7	174.7	-66.3	-72.8	0	0	0	114.3	R167 T168 K169 L194 T195 E223	R167-F197 HydrophobicContact CB-CB 3.93Å; R167-F197 WeakPolarHBondContact O-CB 3.45Å; T168-F197 CarbonylContact C-O 3.52Å; T168-F197 WeakPolarHBondContact CA-O 3.02Å; K169-F197 PolarHBondContact N-O 2.8Å; L194-F197 HydrophobicContact CB-CD2 3.67Å; L194-F197 HydrophobicContact CB-CE2 3.91Å; L194-F197 HydrophobicContact CD1-CD2 4.47Å; L194-F197 HydrophobicContact CD1-CE2 4Å; L194-F197 WeakPolarHBondContact O-CD2 3.06Å; L194-F197 PolarHBondContact O-N 3Å; T195-F197 PolarHBondContact O-N 3.38Å; T195-F197 VanDerWaalsContact O-N 3.12Å; F197-E223 WeakPolarHBondContact CZ-OE1 3.46Å
198	G	96.6	Very high	97.1	Very high	8 Å²	8	37.6 Å²	37.6	8%	0.082	20%	0.204	C	C	.	.			trans	119.9	173.2	173.9	0	0	0	0	0	114.3	R167 T195 N196	R167-G198 WeakPolarHBondContact CB-O 3.29Å; T195-G198 PolarHBondContact O-N 3.49Å; N196-G198 VanDerWaalsContact C-N 3.3Å
199	T	96.1	Very high	97.1	Very high	51 Å²	51	40.1 Å²	40.1	31%	0.313	22%	0.215	S	C	.	.	S	Bend	trans	-135.7	10.2	-177.2	55.7	0	0	0	0	112.1	T168 D248 C249 K250	T168-T199 PolarHBondContact O-N 3.12Å; T199-D248 WeakPolarHBondContact CB-O 3.18Å; T199-D248 WeakPolarHBondContact CG2-OD2 3.1Å; T199-C249 CarbonylContact O-C 3.57Å; T199-C249 VanDerWaalsContact O-CA 3.27Å; T199-C249 WeakPolarHBondContact O-CA 3.33Å; T199-K250 PolarHBondContact O-N 3.47Å
200	T	95.7	Very high	97.1	Very high	33 Å²	33	39.9 Å²	39.9	20%	0.202	21%	0.214	C	C	.	.	S	Bend	trans	-74.2	-57.5	-178.1	-55.8	0	0	0	0	110.9	T168 K169 S170 K171 K250 T251	T168-T200 PolarHBondContact O-N 3.15Å; K169-T200 WeakPolarHBondContact O-CB 3.28Å; K169-T200 PolarHBondContact O-OG1 3.38Å; S170-T200 WeakPolarHBondContact O-CG2 3.44Å; K171-T200 HydrophobicContact CB-CG2 4.08Å; T200-K250 WeakPolarHBondContact O-CB 3.37Å; T200-T251 PolarHBondContact O-N 3.46Å
201	T	96.1	Very high	97.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133	172	-59.5	0	0	0	0	108.4	T168 S170 F172 F203 T251 Y253	T168-T201 PolarHBondContact N-O 2.81Å; T168-T201 PolarHBondContact O-N 2.92Å; T168-T201 PolarHBondContact OG1-O 2.97Å; S170-T201 WeakPolarHBondContact O-CB 3.38Å; S170-T201 PolarHBondContact O-OG1 2.78Å; F172-T201 HydrophobicContact CB-CG2 4.11Å; F172-T201 HydrophobicContact CD2-CG2 4.07Å; F172-T201 PolarHBondContact N-OG1 3.43Å; F172-T201 VanDerWaalsContact N-OG1 3.15Å; T201-F203 HydrophobicContact CG2-CD2 4.44Å; T201-F203 HydrophobicContact CG2-CE1 4.41Å; T201-F203 HydrophobicContact CG2-CE2 3.73Å; T201-F203 HydrophobicContact CG2-CZ 3.72Å; T201-T251 WeakPolarHBondContact CA-O 3.38Å; T201-Y253 HydrophobicContact CG2-CD2 3.62Å; T201-Y253 HydrophobicContact CG2-CE2 3.73Å
202	C	97.3	Very high	97.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	152.4	176.6	-58.1	0	0	0	0	109.8	R166 R167 L246 C249 T251 V252 Y253	R166-C202 CarbonylContact O-C 3.39Å; R166-C202 VanDerWaalsContact O-CA 3.25Å; R166-C202 WeakPolarHBondContact O-CA 3.26Å; R167-C202 HydrophobicContact CG-CB 4.48Å; C202-L246 HydrophobicContact CB-CD1 3.99Å; C202-L246 HydrophobicContact CB-CD2 4.26Å; C202-C249 HydrophobicContact CB-CB 3.63Å; C202-C249 WeakPolarHBondContact CB-SG 3.09Å; C202-C249 WeakPolarHBondContact SG-CB 3.29Å; C202-C249 CovalentContact SG-SG 2.02Å; C202-C249 PolarHBondContact SG-SG 3.19Å; C202-T251 PolarHBondContact N-O 3.38Å; C202-V252 HydrophobicContact CB-CG2 4.41Å; C202-V252 CarbonylContact O-C 3.48Å; C202-V252 VanDerWaalsContact O-CA 3.29Å; C202-V252 WeakPolarHBondContact O-CA 3.24Å; C202-Y253 PolarHBondContact O-N 2.82Å
203	F	97.8	Very high	97.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.6	-179.9	-56.7	-97.2	0	0	0	108.8	L40 F165 R166 T168 F172 F182 T201 I205 Y253 L255	L40-F203 HydrophobicContact CD1-CE1 3.91Å; L40-F203 HydrophobicContact CD2-CE1 4.07Å; L40-F203 HydrophobicContact CD2-CZ 4.19Å; F165-F203 VanDerWaalsContact CA-O 3.26Å; F165-F203 WeakPolarHBondContact CA-O 3.24Å; R166-F203 HydrophobicContact CB-CB 4.19Å; R166-F203 HydrophobicContact CB-CD2 4.13Å; R166-F203 HydrophobicContact CG-CD2 4.26Å; R166-F203 PolarHBondContact N-O 3.48Å; R166-F203 PolarHBondContact O-N 2.8Å; T168-F203 HydrophobicContact CG2-CE2 4.27Å; F172-F203 HydrophobicContact CB-CZ 4.31Å; F172-F203 HydrophobicContact CD1-CZ 4.43Å; F172-F203 HydrophobicContact CD2-CE2 4.17Å; F172-F203 AromaticContact CD2-CZ 3.92Å; F172-F203 HydrophobicContact CD2-CZ 3.92Å; F172-F203 HydrophobicContact CE2-CE2 4.29Å; F172-F203 HydrophobicContact CE2-CZ 4.3Å; F172-F203 AromaticContact CG-CZ 3.98Å; F172-F203 HydrophobicContact CG-CZ 3.98Å; F182-F203 HydrophobicContact CE1-CD1 4.43Å; F182-F203 HydrophobicContact CE1-CE1 4.3Å; F182-F203 HydrophobicContact CE1-CZ 4.49Å; F182-F203 HydrophobicContact CZ-CD1 4.32Å; T201-F203 HydrophobicContact CG2-CD2 4.44Å; T201-F203 HydrophobicContact CG2-CE1 4.41Å; T201-F203 HydrophobicContact CG2-CE2 3.73Å; T201-F203 HydrophobicContact CG2-CZ 3.72Å; F203-I205 HydrophobicContact CB-CD1 3.73Å; F203-I205 HydrophobicContact CB-CG1 3.64Å; F203-Y253 CarbonylContact C-O 3.52Å; F203-Y253 VanDerWaalsContact CA-O 3.3Å; F203-Y253 WeakPolarHBondContact CA-O 2.86Å; F203-Y253 HydrophobicContact CD1-CD2 4.28Å; F203-Y253 HydrophobicContact CD1-CG 4.41Å; F203-Y253 AromaticContact CE1-CD2 3.77Å; F203-Y253 HydrophobicContact CE1-CD2 3.77Å; F203-Y253 HydrophobicContact CE1-CG 4.19Å; F203-Y253 HydrophobicContact CZ-CD2 4.25Å; F203-L255 HydrophobicContact CD1-CD1 3.78Å; F203-L255 HydrophobicContact CD1-CG 4.26Å; F203-L255 HydrophobicContact CE1-CD1 4.4Å
204	K	97.8	Very high	97.1	Very high	62 Å²	62	34 Å²	34	27%	0.27	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.2	158.6	176.8	-176.6	172.7	-170.1	0	107.1	I163 T164 F165 I243 L246 Y253 I254 L255	I163-K204 HydrophobicContact CG2-CD 4.43Å; I163-K204 HydrophobicContact CG2-CG 4Å; T164-K204 WeakPolarHBondContact O-CA 3.33Å; F165-K204 HydrophobicContact CD1-CB 4.27Å; F165-K204 HydrophobicContact CD1-CG 4.4Å; F165-K204 HydrophobicContact CE1-CB 4.16Å; F165-K204 HydrophobicContact CE1-CD 4.3Å; F165-K204 HydrophobicContact CE1-CG 3.91Å; K204-I243 HydrophobicContact CB-CD1 4.18Å; K204-I243 HydrophobicContact CD-CD1 3.24Å; K204-I243 HydrophobicContact CG-CD1 4.33Å; K204-L246 HydrophobicContact CB-CD1 4.49Å; K204-Y253 PolarHBondContact N-O 3.03Å; K204-I254 WeakPolarHBondContact O-CA 3Å; K204-L255 PolarHBondContact O-N 2.02Å
205	I	98.5	Very high	97.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.2	-167.8	-53.6	166.4	0	0	0	108.1	I163 T164 R166 F182 T188 F203 I228 F234 L255	I163-I205 CarbonylContact C-O 3.56Å; I163-I205 WeakPolarHBondContact CA-O 3.47Å; T164-I205 PolarHBondContact N-O 2.69Å; T164-I205 PolarHBondContact O-N 3.19Å; R166-I205 HydrophobicContact CB-CD1 4.15Å; F182-I205 HydrophobicContact CE2-CD1 3.87Å; F182-I205 HydrophobicContact CZ-CD1 3.68Å; F182-I205 HydrophobicContact CZ-CG1 4.49Å; T188-I205 HydrophobicContact CG2-CD1 3.78Å; F203-I205 HydrophobicContact CB-CD1 3.73Å; F203-I205 HydrophobicContact CB-CG1 3.64Å; I205-I228 HydrophobicContact CD1-CD1 4.24Å; I205-I228 HydrophobicContact CG2-CD1 3.91Å; I205-F234 HydrophobicContact CG2-CD1 3.87Å; I205-F234 HydrophobicContact CG2-CE1 3.4Å; I205-F234 HydrophobicContact CG2-CZ 4.01Å; I205-L255 HydrophobicContact CG1-CB 4.32Å; I205-L255 HydrophobicContact CG1-CD1 4.2Å; I205-L255 HydrophobicContact CG2-CB 4.32Å
206	R	98.5	Very high	97.2	Very high	96 Å²	96	32.2 Å²	32.2	36%	0.362	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	95	163.5	-171.6	-174.2	174.3	-68.9	-0.5	108.4	C161 R162 I163 C208 L255 N256 S257	C161-R206 VanDerWaalsContact CB-CZ 3.48Å; C161-R206 PolarHBondContact SG-NH1 2.91Å; C161-R206 PolarHBondContact SG-NH2 3.44Å; R162-R206 CarbonylContact O-C 3.47Å; R162-R206 WeakPolarHBondContact O-CA 3.25Å; I163-R206 HydrophobicContact CD1-CB 3.6Å; I163-R206 HydrophobicContact CD1-CG 3.71Å; R206-C208 PolarHBondContact NH1-SG 3.42Å; R206-L255 PolarHBondContact N-O 3.06Å; R206-N256 WeakPolarHBondContact CB-OD1 3.47Å; R206-S257 WeakPolarHBondContact O-CB 3.39Å; R206-S257 PolarHBondContact O-N 3.48Å
207	T	98.8	Very high	97.3	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.012	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	141.5	178.3	170.5	0	0	0	0	111	C161 R162 T164 H209 G210 V226 I228 E232	C161-T207 CarbonylContact C-O 3.58Å; C161-T207 WeakPolarHBondContact CA-O 3.48Å; C161-T207 VanDerWaalsContact CB-O 3.27Å; C161-T207 WeakPolarHBondContact CB-O 3.34Å; R162-T207 PolarHBondContact N-O 3.37Å; R162-T207 PolarHBondContact O-N 2.97Å; T164-T207 HydrophobicContact CG2-CG2 3.97Å; T207-H209 PolarHBondContact OG1-N 2.91Å; T207-G210 WeakPolarHBondContact OG1-CA 3.35Å; T207-G210 PolarHBondContact OG1-N 3.16Å; T207-V226 HydrophobicContact CG2-CG1 4.15Å; T207-I228 HydrophobicContact CG2-CD1 4.17Å; T207-I228 HydrophobicContact CG2-CG1 4.19Å; T207-E232 WeakPolarHBondContact CA-OE1 3.47Å; T207-E232 PolarHBondContact OG1-OE1 3.23Å; T207-E232 PolarHBondContact OG1-OE2 2.96Å
208	C	98.4	Very high	97.3	Very high	25 Å²	25	28 Å²	28	17%	0.169	13%	0.133	C	C	.	.	S	Bend	trans	-113	-17.4	172.6	-69.1	0	0	0	0	113	K155 C161 R206 E232	K155-C208 WeakPolarHBondContact CD-O 3.31Å; K155-C208 WeakPolarHBondContact CE-O 3.4Å; K155-C208 PolarHBondContact NZ-O 3.19Å; C161-C208 HydrophobicContact CB-CB 4.08Å; C161-C208 WeakPolarHBondContact CB-SG 3.28Å; C161-C208 VanDerWaalsContact SG-CA 3.58Å; C161-C208 WeakPolarHBondContact SG-CB 3.08Å; C161-C208 CovalentContact SG-SG 2.05Å; C161-C208 PolarHBondContact SG-SG 3.39Å; R206-C208 PolarHBondContact NH1-SG 3.42Å; C208-E232 PolarHBondContact N-OE1 3.31Å
209	H	98.3	Very high	97.1	Very high	58 Å²	58	31.1 Å²	31.1	27%	0.269	15%	0.147	S	C	.	.	S	Bend	trans	-110.7	-11.2	-179.8	-63.4	-86.6	0	0	0	113.6	I151 T207 P229 Y231 E232 V260	I151-H209 WeakPolarHBondContact CG2-O 3.42Å; T207-H209 PolarHBondContact OG1-N 2.91Å; H209-P229 HydrophobicContact CB-CG 4.04Å; H209-P229 WeakPolarHBondContact O-CD 3.34Å; H209-Y231 HydrophobicContact CB-CE2 4.47Å; H209-E232 HydrophobicContact CB-CB 4.19Å; H209-E232 HydrophobicContact CB-CG 4.07Å; H209-E232 IonicContact CD2-OE1 3.12Å; H209-E232 PolarHBondContact N-OE1 3.27Å; H209-E232 VanDerWaalsContact N-OE1 3.07Å; H209-E232 PolarHBondContact N-OE2 3.27Å; H209-V260 VanDerWaalsContact CE1-CG1 3.47Å; H209-V260 WeakPolarHBondContact CE1-CG1 3.47Å
210	G	98.4	Very high	96.9	Very high	3 Å²	3	29.4 Å²	29.4	3%	0.031	14%	0.14	C	C	.	.			trans	-69.7	145.6	170.3	0	0	0	0	0	112.6	T207 L227 E232	T207-G210 WeakPolarHBondContact OG1-CA 3.35Å; T207-G210 PolarHBondContact OG1-N 3.16Å; G210-L227 CarbonylContact C-O 3.24Å; G210-L227 WeakPolarHBondContact CA-O 3.32Å; G210-E232 PolarHBondContact N-OE2 2.85Å
211	A	98.2	Very high	96.9	Very high	3 Å²	3	31 Å²	31	3%	0.025	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.5	-178.9	0	0	0	0	0	111.2	I151 L154 L213 V226 L227	I151-A211 HydrophobicContact CB-CB 4.23Å; I151-A211 HydrophobicContact CG1-CB 4.41Å; I151-A211 HydrophobicContact CG2-CB 3.86Å; L154-A211 HydrophobicContact CB-CB 3.67Å; L154-A211 HydrophobicContact CD1-CB 4.2Å; A211-L213 PolarHBondContact O-N 2.6Å; A211-V226 CarbonylContact O-C 3.28Å; A211-V226 VanDerWaalsContact O-CA 3.31Å; A211-V226 WeakPolarHBondContact O-CA 3.47Å; A211-L227 PolarHBondContact N-O 3.17Å; A211-L227 PolarHBondContact O-N 2.71Å
212	Y	98	Very high	96.8	Very high	48 Å²	48	40.3 Å²	40.3	19%	0.188	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	120.8	169.6	179.2	-134.7	0	0	0	109.2	K214 D221 Q224 E225 V226	Y212-K214 HydrophobicContact CD1-CG 3.82Å; Y212-K214 HydrophobicContact CE1-CB 4.39Å; Y212-K214 HydrophobicContact CE1-CG 4.03Å; Y212-K214 HydrophobicContact CG-CG 4.47Å; Y212-K214 PolarHBondContact O-N 3.44Å; Y212-D221 VanDerWaalsContact OH-CG 3.25Å; Y212-D221 PolarHBondContact OH-OD1 2.84Å; Y212-D221 PolarHBondContact OH-OD2 3Å; Y212-Q224 HydrophobicContact CE2-CB 4Å; Y212-E225 WeakPolarHBondContact CD2-O 2.79Å; Y212-V226 HydrophobicContact CD2-CG2 3.92Å; Y212-V226 HydrophobicContact CG-CG2 4.41Å
213	L	97.6	Very high	96.7	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	19%	0.194	C	C	.	.			trans	-80.6	-6.1	-173.8	-59.5	-173.5	0	0	0	113.1	I108 T112 L154 A211 K215 Y216 P217 E225 L227	I108-L213 HydrophobicContact CD1-CD2 4.36Å; I108-L213 HydrophobicContact CG2-CD1 4.21Å; T112-L213 HydrophobicContact CG2-CD1 4.07Å; L154-L213 HydrophobicContact CD1-CD2 3.91Å; A211-L213 PolarHBondContact O-N 2.6Å; L213-K215 PolarHBondContact O-N 2.77Å; L213-Y216 VanDerWaalsContact O-CB 3.29Å; L213-Y216 WeakPolarHBondContact O-CB 3.39Å; L213-Y216 WeakPolarHBondContact O-CD2 3.29Å; L213-Y216 PolarHBondContact O-N 2.9Å; L213-P217 HydrophobicContact CB-CG 3.66Å; L213-P217 HydrophobicContact CD1-CG 4Å; L213-P217 WeakPolarHBondContact O-CD 3.35Å; L213-E225 HydrophobicContact CD1-CB 4.28Å; L213-E225 HydrophobicContact CD1-CG 4.07Å; L213-E225 PolarHBondContact N-O 2.79Å; L213-L227 HydrophobicContact CD1-CB 4Å; L213-L227 HydrophobicContact CD1-CD2 4.44Å; L213-L227 HydrophobicContact CD2-CB 4.02Å; L213-L227 HydrophobicContact CG-CB 4.09Å
214	K	96.1	Very high	96.7	Very high	33 Å²	33	45.5 Å²	45.5	14%	0.143	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	-134.5	177.7	-50.9	169	172.2	-165.6	0	109.9	E94 D97 Y212 Y216 P217	E94-K214 WeakPolarHBondContact OE2-CD 3.2Å; E94-K214 IonicContact OE2-NZ 3.88Å; E94-K214 PolarHBondContact OE2-NZ 2.8Å; D97-K214 IonicContact OD1-NZ 2.94Å; D97-K214 PolarHBondContact OD1-NZ 3.07Å; D97-K214 WeakPolarHBondContact OD2-CD 3.33Å; D97-K214 WeakPolarHBondContact OD2-CE 3.44Å; D97-K214 IonicContact OD2-NZ 3.56Å; D97-K214 PolarHBondContact OD2-NZ 2.89Å; Y212-K214 HydrophobicContact CD1-CG 3.82Å; Y212-K214 HydrophobicContact CE1-CB 4.39Å; Y212-K214 HydrophobicContact CE1-CG 4.03Å; Y212-K214 HydrophobicContact CG-CG 4.47Å; Y212-K214 PolarHBondContact O-N 3.44Å; K214-Y216 HydrophobicContact CB-CD2 4.45Å; K214-Y216 HydrophobicContact CB-CE2 4.43Å; K214-Y216 HydrophobicContact CD-CE2 3.89Å; K214-P217 WeakPolarHBondContact O-CD 3.49Å
215	K	96.8	Very high	96.7	Very high	71 Å²	71	43 Å²	43	31%	0.309	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	4	175	64.9	-173.8	164.9	177	0	114.7	K89 E92 L213 P217	K89-K215 WeakPolarHBondContact CD-O 3.46Å; K89-K215 WeakPolarHBondContact CE-O 3.2Å; K89-K215 PolarHBondContact NZ-O 3.46Å; E92-K215 HydrophobicContact CB-CD 4.27Å; E92-K215 WeakPolarHBondContact O-CE 3.39Å; E92-K215 PolarHBondContact O-NZ 3.39Å; L213-K215 PolarHBondContact O-N 2.77Å; K215-P217 VanDerWaalsContact C-CD 3.41Å
216	Y	98.1	Very high	96.7	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.196	C	C	.	.			trans	-71.6	-25.7	-177.1	-55.1	-46.2	0	0	0	116.4	K89 R93 E94 D97 L100 L105 L154 L213 K214	K89-Y216 HydrophobicContact CB-CD1 4.21Å; R93-Y216 WeakPolarHBondContact CA-OH 3.4Å; R93-Y216 HydrophobicContact CG-CE1 4.3Å; E94-Y216 PolarHBondContact N-OH 3.19Å; D97-Y216 WeakPolarHBondContact CB-OH 3.05Å; D97-Y216 VanDerWaalsContact OD2-CE2 3.26Å; D97-Y216 WeakPolarHBondContact OD2-CE2 3.49Å; D97-Y216 VanDerWaalsContact OD2-CZ 3.32Å; D97-Y216 PolarHBondContact OD2-OH 3.48Å; L100-Y216 HydrophobicContact CD1-CD2 4.03Å; L100-Y216 HydrophobicContact CD1-CE2 3.63Å; L105-Y216 HydrophobicContact CD2-CD1 3.63Å; L105-Y216 HydrophobicContact CD2-CD2 4.25Å; L105-Y216 HydrophobicContact CD2-CE1 4.16Å; L105-Y216 HydrophobicContact CD2-CG 3.69Å; L154-Y216 HydrophobicContact CD2-CD2 4.35Å; L154-Y216 HydrophobicContact CD2-CE2 3.91Å; L213-Y216 VanDerWaalsContact O-CB 3.29Å; L213-Y216 WeakPolarHBondContact O-CB 3.39Å; L213-Y216 WeakPolarHBondContact O-CD2 3.29Å; L213-Y216 PolarHBondContact O-N 2.9Å; K214-Y216 HydrophobicContact CB-CD2 4.45Å; K214-Y216 HydrophobicContact CB-CE2 4.43Å; K214-Y216 HydrophobicContact CD-CE2 3.89Å
217	P	96.7	Very high	96.7	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.019	18%	0.179	C	C	.	.	S	Bend	trans	-55.8	158.6	173.7	-28.4	37.6	0	0	0	113	T112 L213 K214 K215 L219 G220 E225	T112-P217 HydrophobicContact CG2-CB 3.94Å; T112-P217 HydrophobicContact CG2-CG 4.32Å; T112-P217 VanDerWaalsContact OG1-CA 3.28Å; T112-P217 WeakPolarHBondContact OG1-CA 3.48Å; L213-P217 HydrophobicContact CB-CG 3.66Å; L213-P217 HydrophobicContact CD1-CG 4Å; L213-P217 WeakPolarHBondContact O-CD 3.35Å; K214-P217 WeakPolarHBondContact O-CD 3.49Å; K215-P217 VanDerWaalsContact C-CD 3.41Å; P217-L219 PolarHBondContact O-N 2.96Å; P217-G220 WeakPolarHBondContact O-CA 3.3Å; P217-G220 PolarHBondContact O-N 3.28Å; P217-E225 HydrophobicContact CG-CB 4.43Å
218	K	94.1	Very high	96.8	Very high	91 Å²	91	38.3 Å²	38.3	40%	0.396	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-41.1	177.4	179.3	68.5	173	-162.5	0	112.1	C85 T112 A113 G220	C85-K218 HydrophobicContact CB-CD 3.84Å; T112-K218 PolarHBondContact OG1-N 3.18Å; A113-K218 HydrophobicContact CB-CG 4.47Å; K218-G220 PolarHBondContact O-N 2.87Å
219	L	90.8	Very high	96.8	Very high	73 Å²	73	37.2 Å²	37.2	38%	0.382	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	7.2	178.3	-61	179.8	0	0	0	113.2	P217 R222	P217-L219 PolarHBondContact O-N 2.96Å; L219-R222 WeakPolarHBondContact O-CG 3.5Å
220	G	93.6	Very high	96.8	Very high	15 Å²	15	34.5 Å²	34.5	16%	0.155	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	66	-143.6	-174.7	0	0	0	0	0	111.5	P217 K218 R222	P217-G220 WeakPolarHBondContact O-CA 3.3Å; P217-G220 PolarHBondContact O-N 3.28Å; K218-G220 PolarHBondContact O-N 2.87Å; G220-R222 VanDerWaalsContact C-N 3.3Å; G220-R222 PolarHBondContact O-N 2.9Å
221	D	94.2	Very high	96.8	Very high	68 Å²	68	34.6 Å²	34.6	36%	0.364	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-90	15.2	-174.1	-167.2	36.6	0	0	0	114	Y212 E223 Q224	Y212-D221 VanDerWaalsContact OH-CG 3.25Å; Y212-D221 PolarHBondContact OH-OD1 2.84Å; Y212-D221 PolarHBondContact OH-OD2 3Å; D221-E223 VanDerWaalsContact C-N 3.28Å; D221-E223 PolarHBondContact O-N 2.92Å; D221-Q224 WeakPolarHBondContact O-CG 3.26Å; D221-Q224 PolarHBondContact O-N 2.78Å
222	R	94.9	Very high	96.8	Very high	195 Å²	195	34.5 Å²	34.5	74%	0.736	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-60.8	-38.3	-176.6	-70.9	179.3	179.7	175.4	-0.1	113	L219 G220	L219-R222 WeakPolarHBondContact O-CG 3.5Å; G220-R222 VanDerWaalsContact C-N 3.3Å; G220-R222 PolarHBondContact O-N 2.9Å
223	E	95.9	Very high	96.8	Very high	51 Å²	51	32.6 Å²	32.6	24%	0.238	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-95.2	-5.5	-178.1	-64.1	-178.7	160.9	0	0	112.3	S189 L194 F197 D221 E225	S189-E223 VanDerWaalsContact CB-O 3.26Å; S189-E223 WeakPolarHBondContact CB-O 3.26Å; S189-E223 PolarHBondContact OG-O 3.18Å; L194-E223 HydrophobicContact CD1-CB 4.13Å; L194-E223 HydrophobicContact CD1-CG 4.37Å; F197-E223 WeakPolarHBondContact CZ-OE1 3.46Å; D221-E223 VanDerWaalsContact C-N 3.28Å; D221-E223 PolarHBondContact O-N 2.92Å; E223-E225 PolarHBondContact O-N 2.74Å
224	Q	97.5	Very high	96.9	Very high	57 Å²	57	32.6 Å²	32.6	27%	0.266	15%	0.15	S	C	.	.			trans	42.1	51.2	-174.1	-59.8	-179.1	23.4	0	0	111.9	V190 L191 Y212 D221 V226	V190-Q224 HydrophobicContact CB-CB 4.09Å; V190-Q224 HydrophobicContact CG2-CB 4.38Å; V190-Q224 PolarHBondContact N-O 3.02Å; V190-Q224 VanDerWaalsContact N-O 3.16Å; L191-Q224 HydrophobicContact CD1-CG 4.2Å; L191-Q224 HydrophobicContact CG-CB 4.27Å; L191-Q224 HydrophobicContact CG-CG 4.22Å; Y212-Q224 HydrophobicContact CE2-CB 4Å; D221-Q224 WeakPolarHBondContact O-CG 3.26Å; D221-Q224 PolarHBondContact O-N 2.78Å; Q224-V226 PolarHBondContact O-N 2.82Å
225	E	98.1	Very high	97	Very high	9 Å²	9	35.4 Å²	35.4	4%	0.042	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	130.4	-165.8	-170.1	177.5	180	0	0	111.3	T112 S187 T188 Y212 L213 P217 E223	T112-E225 WeakPolarHBondContact CG2-OE2 3.12Å; S187-E225 WeakPolarHBondContact CB-OE1 3.29Å; S187-E225 PolarHBondContact OG-OE1 3.5Å; T188-E225 CarbonylContact O-C 3.54Å; T188-E225 WeakPolarHBondContact O-CA 3.38Å; Y212-E225 WeakPolarHBondContact CD2-O 2.79Å; L213-E225 HydrophobicContact CD1-CB 4.28Å; L213-E225 HydrophobicContact CD1-CG 4.07Å; L213-E225 PolarHBondContact N-O 2.79Å; P217-E225 HydrophobicContact CG-CB 4.43Å; E223-E225 PolarHBondContact O-N 2.74Å
226	V	98.6	Very high	97	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	118.5	166.9	177.2	0	0	0	0	107.4	T164 T188 V190 T207 A211 Y212 Q224	T164-V226 HydrophobicContact CG2-CB 3.71Å; T164-V226 HydrophobicContact CG2-CG1 3.84Å; T164-V226 HydrophobicContact CG2-CG2 3.7Å; T188-V226 PolarHBondContact N-O 3.3Å; T188-V226 PolarHBondContact O-N 3.44Å; T188-V226 WeakPolarHBondContact OG1-CB 3.39Å; T188-V226 PolarHBondContact OG1-O 3.31Å; V190-V226 HydrophobicContact CG2-CG2 4.02Å; T207-V226 HydrophobicContact CG2-CG1 4.15Å; A211-V226 CarbonylContact O-C 3.28Å; A211-V226 VanDerWaalsContact O-CA 3.31Å; A211-V226 WeakPolarHBondContact O-CA 3.47Å; Y212-V226 HydrophobicContact CD2-CG2 3.92Å; Y212-V226 HydrophobicContact CG-CG2 4.41Å; Q224-V226 PolarHBondContact O-N 2.82Å
227	L	98.6	Very high	96.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	117.9	-178.9	-169.3	59.4	0	0	0	110.1	Y111 L147 I151 F185 G210 A211 L213	Y111-L227 HydrophobicContact CD1-CD1 4.28Å; Y111-L227 HydrophobicContact CD1-CD2 4.11Å; Y111-L227 HydrophobicContact CE1-CD1 3.41Å; Y111-L227 VanDerWaalsContact CE1-CD1 3.41Å; Y111-L227 HydrophobicContact CE1-CD2 4.04Å; Y111-L227 HydrophobicContact CE1-CG 4.39Å; L147-L227 HydrophobicContact CD2-CD2 4.24Å; I151-L227 HydrophobicContact CD1-CB 4.31Å; I151-L227 HydrophobicContact CD1-CD2 3.9Å; I151-L227 HydrophobicContact CD1-CG 3.86Å; I151-L227 HydrophobicContact CG1-CB 4.49Å; I151-L227 HydrophobicContact CG1-CD2 4.3Å; I151-L227 HydrophobicContact CG1-CG 4.46Å; F185-L227 HydrophobicContact CB-CD1 4.12Å; F185-L227 HydrophobicContact CD1-CD2 4.15Å; F185-L227 HydrophobicContact CD1-CG 4.39Å; G210-L227 CarbonylContact C-O 3.24Å; G210-L227 WeakPolarHBondContact CA-O 3.32Å; A211-L227 PolarHBondContact N-O 3.17Å; A211-L227 PolarHBondContact O-N 2.71Å; L213-L227 HydrophobicContact CD1-CB 4Å; L213-L227 HydrophobicContact CD1-CD2 4.44Å; L213-L227 HydrophobicContact CD2-CB 4.02Å; L213-L227 HydrophobicContact CG-CB 4.09Å
228	I	98.9	Very high	96.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130	177.9	-64.4	175	0	0	0	108.8	F185 T186 T188 I205 T207 E232 F234	F185-I228 WeakPolarHBondContact CA-O 3.49Å; T186-I228 PolarHBondContact N-O 2.96Å; T186-I228 PolarHBondContact O-N 2.88Å; T188-I228 HydrophobicContact CG2-CD1 3.55Å; T188-I228 HydrophobicContact CG2-CG1 4.18Å; I205-I228 HydrophobicContact CD1-CD1 4.24Å; I205-I228 HydrophobicContact CG2-CD1 3.91Å; T207-I228 HydrophobicContact CG2-CD1 4.17Å; T207-I228 HydrophobicContact CG2-CG1 4.19Å; I228-E232 HydrophobicContact CG2-CB 4.07Å; I228-F234 HydrophobicContact CD1-CZ 4.06Å; I228-F234 HydrophobicContact CG2-CE2 4.03Å; I228-F234 HydrophobicContact CG2-CZ 3.81Å
229	P	98.6	Very high	95.6	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.013	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-71.6	158.9	178.4	30.6	-35	0	0	0	112.1	I151 H209 Y231 E232	I151-P229 HydrophobicContact CD1-CB 4.16Å; I151-P229 HydrophobicContact CG2-CB 4.44Å; I151-P229 HydrophobicContact CG2-CG 4.31Å; H209-P229 HydrophobicContact CB-CG 4.04Å; H209-P229 WeakPolarHBondContact O-CD 3.34Å; P229-Y231 HydrophobicContact CB-CD1 3.91Å; P229-Y231 HydrophobicContact CB-CD2 4.25Å; P229-Y231 HydrophobicContact CB-CE1 3.44Å; P229-Y231 VanDerWaalsContact CB-CE1 3.44Å; P229-Y231 HydrophobicContact CB-CE2 3.8Å; P229-Y231 HydrophobicContact CB-CG 4.31Å; P229-Y231 HydrophobicContact CG-CD2 4.01Å; P229-Y231 HydrophobicContact CG-CE1 4.08Å; P229-Y231 HydrophobicContact CG-CE2 3.45Å; P229-Y231 VanDerWaalsContact CG-CE2 3.45Å; P229-Y231 PolarHBondContact O-N 3.47Å; P229-Y231 VanDerWaalsContact O-N 3.15Å; P229-E232 HydrophobicContact CG-CB 4.38Å; P229-E232 PolarHBondContact O-N 2.54Å
230	P	98.4	Very high	94.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.5	-175.4	25.8	-35.2	0	0	0	114.3	D48 V127 R181 F185	D48-P230 HydrophobicContact CB-CB 4.37Å; V127-P230 HydrophobicContact CG1-CB 4.34Å; R181-P230 WeakPolarHBondContact CD-O 3.26Å; R181-P230 WeakPolarHBondContact CG-O 3.29Å; F185-P230 HydrophobicContact CD2-CG 4.49Å; F185-P230 HydrophobicContact CE2-CG 4.11Å; F185-P230 HydrophobicContact CZ-CG 4.34Å
231	Y	98.4	Very high	93	Very high	6 Å²	6	45.7 Å²	45.7	2%	0.024	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-5.2	-174.1	52.1	-104.4	0	0	0	115.5	D48 M50 T148 H209 P229 V260 Q261	D48-Y231 WeakPolarHBondContact O-CD1 3.39Å; M50-Y231 HydrophobicContact CB-CD1 4.47Å; M50-Y231 HydrophobicContact CB-CE1 4.49Å; M50-Y231 HydrophobicContact CE-CD2 3.94Å; M50-Y231 HydrophobicContact CE-CE2 3.91Å; M50-Y231 HydrophobicContact CE-CG 4.39Å; M50-Y231 HydrophobicContact CG-CD1 3.42Å; M50-Y231 VanDerWaalsContact CG-CD1 3.42Å; M50-Y231 HydrophobicContact CG-CD2 4.07Å; M50-Y231 HydrophobicContact CG-CE1 3.79Å; M50-Y231 HydrophobicContact CG-CE2 4.41Å; M50-Y231 HydrophobicContact CG-CG 3.55Å; M50-Y231 HydrophobicContact SD-CD1 4.37Å; M50-Y231 HydrophobicContact SD-CD2 3.97Å; M50-Y231 HydrophobicContact SD-CE2 4.48Å; M50-Y231 HydrophobicContact SD-CG 3.89Å; T148-Y231 HydrophobicContact CG2-CE1 4.09Å; H209-Y231 HydrophobicContact CB-CE2 4.47Å; P229-Y231 HydrophobicContact CB-CD1 3.91Å; P229-Y231 HydrophobicContact CB-CD2 4.25Å; P229-Y231 HydrophobicContact CB-CE1 3.44Å; P229-Y231 VanDerWaalsContact CB-CE1 3.44Å; P229-Y231 HydrophobicContact CB-CE2 3.8Å; P229-Y231 HydrophobicContact CB-CG 4.31Å; P229-Y231 HydrophobicContact CG-CD2 4.01Å; P229-Y231 HydrophobicContact CG-CE1 4.08Å; P229-Y231 HydrophobicContact CG-CE2 3.45Å; P229-Y231 VanDerWaalsContact CG-CE2 3.45Å; P229-Y231 PolarHBondContact O-N 3.47Å; P229-Y231 VanDerWaalsContact O-N 3.15Å; Y231-V260 HydrophobicContact CD2-CB 4.03Å; Y231-V260 HydrophobicContact CD2-CG1 3.65Å; Y231-V260 HydrophobicContact CE2-CG1 3.95Å; Y231-V260 WeakPolarHBondContact O-CA 3.4Å; Y231-Q261 PolarHBondContact O-N 3.46Å; Y231-Q261 VanDerWaalsContact O-O 3.12Å
232	E	98.8	Very high	91.4	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	129	-179.8	-170.9	173.4	-166.2	0	0	111.7	R181 T207 C208 H209 G210 I228 P229 F234 S257	R181-E232 WeakPolarHBondContact CG-O 3.31Å; T207-E232 WeakPolarHBondContact CA-OE1 3.47Å; T207-E232 PolarHBondContact OG1-OE1 3.23Å; T207-E232 PolarHBondContact OG1-OE2 2.96Å; C208-E232 PolarHBondContact N-OE1 3.31Å; H209-E232 HydrophobicContact CB-CB 4.19Å; H209-E232 HydrophobicContact CB-CG 4.07Å; H209-E232 IonicContact CD2-OE1 3.12Å; H209-E232 PolarHBondContact N-OE1 3.27Å; H209-E232 VanDerWaalsContact N-OE1 3.07Å; H209-E232 PolarHBondContact N-OE2 3.27Å; G210-E232 PolarHBondContact N-OE2 2.85Å; I228-E232 HydrophobicContact CG2-CB 4.07Å; P229-E232 HydrophobicContact CG-CB 4.38Å; P229-E232 PolarHBondContact O-N 2.54Å; E232-F234 HydrophobicContact CB-CE2 3.89Å; E232-F234 HydrophobicContact CB-CZ 3.96Å; E232-F234 HydrophobicContact CG-CE1 4.07Å; E232-F234 HydrophobicContact CG-CE2 3.76Å; E232-F234 HydrophobicContact CG-CZ 3.47Å; E232-F234 VanDerWaalsContact CG-CZ 3.47Å; E232-F234 WeakPolarHBondContact O-CD2 3.46Å; E232-F234 VanDerWaalsContact O-CE2 3.25Å; E232-F234 WeakPolarHBondContact O-CE2 3.33Å; E232-F234 WeakPolarHBondContact OE2-CZ 3.43Å; E232-S257 WeakPolarHBondContact OE1-CB 3.49Å; E232-S257 PolarHBondContact OE1-OG 3.35Å
233	T	98.8	Very high	90.1	Very high	8 Å²	8	38 Å²	38	5%	0.049	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	148.6	179.6	60.5	0	0	0	0	111.6	M42 I180 S257 T258 G259 Q261	M42-T233 HydrophobicContact CE-CG2 4.05Å; I180-T233 WeakPolarHBondContact O-CA 3.41Å; T233-S257 WeakPolarHBondContact O-CA 3.14Å; T233-T258 VanDerWaalsContact C-OG1 3.28Å; T233-T258 WeakPolarHBondContact CB-OG1 3.37Å; T233-T258 PolarHBondContact O-N 2.77Å; T233-T258 PolarHBondContact O-OG1 2.85Å; T233-T258 PolarHBondContact OG1-OG1 2.92Å; T233-G259 PolarHBondContact N-O 3.12Å; T233-G259 VanDerWaalsContact OG1-C 3.31Å; T233-G259 PolarHBondContact OG1-O 2.86Å; T233-Q261 HydrophobicContact CG2-CB 3.66Å
234	F	98.8	Very high	89.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	136.7	-177.8	-58.7	-88.5	0	0	0	112.2	V179 I180 F182 I205 I228 E232 L255 N256 T258	V179-F234 CarbonylContact C-O 3.42Å; V179-F234 VanDerWaalsContact CA-O 3.29Å; V179-F234 WeakPolarHBondContact CA-O 3.41Å; I180-F234 HydrophobicContact CD1-CB 4.17Å; I180-F234 HydrophobicContact CD1-CD2 4.4Å; I180-F234 HydrophobicContact CG1-CB 4.4Å; I180-F234 PolarHBondContact N-O 3.15Å; I180-F234 PolarHBondContact O-N 3.44Å; F182-F234 HydrophobicContact CD2-CD2 4.2Å; F182-F234 AromaticContact CD2-CE2 3.81Å; F182-F234 HydrophobicContact CD2-CE2 3.81Å; F182-F234 HydrophobicContact CE2-CD2 4.13Å; F182-F234 AromaticContact CE2-CE2 3.9Å; F182-F234 HydrophobicContact CE2-CE2 3.9Å; F182-F234 HydrophobicContact CE2-CZ 4.41Å; I205-F234 HydrophobicContact CG2-CD1 3.87Å; I205-F234 HydrophobicContact CG2-CE1 3.4Å; I205-F234 HydrophobicContact CG2-CZ 4.01Å; I228-F234 HydrophobicContact CD1-CZ 4.06Å; I228-F234 HydrophobicContact CG2-CE2 4.03Å; I228-F234 HydrophobicContact CG2-CZ 3.81Å; E232-F234 HydrophobicContact CB-CE2 3.89Å; E232-F234 HydrophobicContact CB-CZ 3.96Å; E232-F234 HydrophobicContact CG-CE1 4.07Å; E232-F234 HydrophobicContact CG-CE2 3.76Å; E232-F234 HydrophobicContact CG-CZ 3.47Å; E232-F234 VanDerWaalsContact CG-CZ 3.47Å; E232-F234 WeakPolarHBondContact O-CD2 3.46Å; E232-F234 VanDerWaalsContact O-CE2 3.25Å; E232-F234 WeakPolarHBondContact O-CE2 3.33Å; E232-F234 WeakPolarHBondContact OE2-CZ 3.43Å; F234-L255 HydrophobicContact CB-CB 4.05Å; F234-L255 HydrophobicContact CB-CD1 4.33Å; F234-L255 HydrophobicContact CD1-CB 4.18Å; F234-L255 HydrophobicContact CG-CB 4.34Å; F234-L255 HydrophobicContact CG-CD1 4.48Å; F234-N256 CarbonylContact C-O 3.57Å; F234-N256 VanDerWaalsContact CA-O 3.26Å; F234-N256 WeakPolarHBondContact CA-O 3.41Å; F234-T258 PolarHBondContact N-OG1 3.37Å
235	K	98.4	Very high	88.8	Confident	93 Å²	93	48.3 Å²	48.3	40%	0.404	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	132.2	166.3	-171.6	172.6	-174.9	176.3	0	110.4	K178 V237 L255 N256 T258	K178-K235 WeakPolarHBondContact O-CA 3.34Å; K235-V237 PolarHBondContact O-N 3.13Å; K235-L255 WeakPolarHBondContact O-CA 3.25Å; K235-N256 PolarHBondContact N-O 2.91Å; K235-N256 PolarHBondContact O-N 2.85Å; K235-T258 HydrophobicContact CB-CG2 3.7Å
236	I	97.5	Very high	88.6	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	108.3	169.6	-56.4	174.4	0	0	0	108.2	L40 V175 V176 S177 K178 I180 Y253 L255	L40-I236 HydrophobicContact CB-CD1 4.33Å; L40-I236 HydrophobicContact CD1-CD1 4.11Å; V175-I236 WeakPolarHBondContact O-CD1 3.35Å; V176-I236 HydrophobicContact CG2-CG2 4.4Å; S177-I236 WeakPolarHBondContact CA-O 3.06Å; S177-I236 PolarHBondContact N-O 2.98Å; K178-I236 PolarHBondContact O-N 2.91Å; I180-I236 HydrophobicContact CG1-CD1 4.48Å; I180-I236 HydrophobicContact CG1-CG1 4.21Å; I180-I236 HydrophobicContact CG2-CD1 3.86Å; I180-I236 HydrophobicContact CG2-CG1 4.26Å; I236-Y253 HydrophobicContact CG2-CD1 3.88Å; I236-L255 HydrophobicContact CB-CD2 4.19Å; I236-L255 HydrophobicContact CG1-CD2 3.66Å; I236-L255 HydrophobicContact CG2-CD2 4.45Å
237	V	94	Very high	88.2	Confident	69 Å²	69	51.8 Å²	51.8	42%	0.418	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-38.6	-177.5	-178.6	0	0	0	0	111.4	V176 K235 I254 N256	V176-V237 WeakPolarHBondContact CG1-O 3.28Å; K235-V237 PolarHBondContact O-N 3.13Å; V237-I254 HydrophobicContact CB-CB 4.45Å; V237-I254 HydrophobicContact CB-CG2 4.33Å; V237-I254 PolarHBondContact N-O 2.93Å; V237-N256 HydrophobicContact CG2-CB 3.9Å
238	S	88.4	Confident	88	Confident	33 Å²	33	55 Å²	55	23%	0.231	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	151.1	178.1	175.6	0	0	0	0	109.5	D240 I254	S238-D240 PolarHBondContact OG-N 3.09Å; S238-D240 VanDerWaalsContact OG-N 3.13Å; S238-I254 PolarHBondContact O-N 3.27Å
239	N	77.3	Confident	87.8	Confident	66 Å²	66	55.4 Å²	55.4	35%	0.353	28%	0.282	S	S	.	.			trans	-121.3	12	172	63	-12.8	0	0	0	112.1	V176 V252 Y253	V176-N239 HydrophobicContact CG2-CB 4.14Å; V176-N239 VanDerWaalsContact CG2-OD1 3.27Å; V176-N239 WeakPolarHBondContact CG2-OD1 3.48Å; N239-V252 CarbonylContact C-O 3.59Å; N239-V252 WeakPolarHBondContact CA-O 3.45Å; N239-Y253 HydrophobicContact CB-CD1 3.72Å; N239-Y253 HydrophobicContact CB-CE1 3.56Å
240	D	67.3	Low	87.6	Confident	120 Å²	120	63.1 Å²	63.1	64%	0.642	32%	0.316	S	S	*	.			trans	-123.6	139.8	-165.1	-136.3	-13.7	0	0	0	115.1	S238	S238-D240 PolarHBondContact OG-N 3.09Å; S238-D240 VanDerWaalsContact OG-N 3.13Å
241	K	62.2	Low	87.4	Confident	180 Å²	180	65.5 Å²	65.5	78%	0.783	33%	0.33	S	S	*	.	S	Bend	trans	29.9	134.8	-170.7	-79.2	-178.1	-177.3	176.7	0	120.4	I243	K241-I243 PolarHBondContact O-N 3.39Å
242	P	59.4	Low	87.3	Confident	54 Å²	54	65.6 Å²	65.6	35%	0.351	33%	0.331	S	S	.	.			trans	-71.6	126.7	-163	29.9	-35.6	0	0	0	111.8	K244 L246 S247 V252	P242-K244 PolarHBondContact O-N 2.78Å; P242-L246 WeakPolarHBondContact CB-O 3.47Å; P242-S247 VanDerWaalsContact CB-CA 3.49Å; P242-V252 HydrophobicContact CB-CG2 3.96Å
243	I	68.9	Low	87.2	Confident	49 Å²	49	66 Å²	66	25%	0.251	33%	0.333	S	S	.	.			trans	-47.8	141.5	163.3	-55.1	172.1	0	0	0	107.6	K204 K241 K245 L246 S247 I254	K204-I243 HydrophobicContact CB-CD1 4.18Å; K204-I243 HydrophobicContact CD-CD1 3.24Å; K204-I243 HydrophobicContact CG-CD1 4.33Å; K241-I243 PolarHBondContact O-N 3.39Å; I243-K245 HydrophobicContact CG2-CB 4.43Å; I243-K245 PolarHBondContact O-N 3.24Å; I243-L246 CarbonylContact O-C 3.54Å; I243-L246 PolarHBondContact O-N 2.87Å; I243-S247 PolarHBondContact O-N 3.47Å; I243-I254 HydrophobicContact CD1-CD1 3.8Å; I243-I254 HydrophobicContact CD1-CG1 4.15Å; I243-I254 HydrophobicContact CG1-CD1 4.32Å
244	K	80.1	Confident	87.1	Confident	195 Å²	195	67.5 Å²	67.5	85%	0.848	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-43.5	-29.3	179.6	-169.8	177.8	-178.4	178.5	0	114.3	P242	P242-K244 PolarHBondContact O-N 2.78Å
245	K	85.7	Confident	87	Confident	128 Å²	128	67.5 Å²	67.5	56%	0.557	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-76.2	-15.7	178.2	-69.4	-168.6	177.3	-171.3	0	116.1	F165 S192 I243	F165-K245 HydrophobicContact CE1-CD 4.49Å; F165-K245 HydrophobicContact CZ-CD 3.91Å; S192-K245 PolarHBondContact OG-O 2.79Å; I243-K245 HydrophobicContact CG2-CB 4.43Å; I243-K245 PolarHBondContact O-N 3.24Å
246	L	92.5	Very high	87	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-134.3	26.9	-175.7	-63.6	178.6	0	0	0	111.6	F165 C202 K204 P242 I243 D248 C249 V252	F165-L246 HydrophobicContact CD1-CD1 4.05Å; F165-L246 HydrophobicContact CD1-CD2 4.24Å; F165-L246 HydrophobicContact CD1-CG 4.25Å; C202-L246 HydrophobicContact CB-CD1 3.99Å; C202-L246 HydrophobicContact CB-CD2 4.26Å; K204-L246 HydrophobicContact CB-CD1 4.49Å; P242-L246 WeakPolarHBondContact CB-O 3.47Å; I243-L246 CarbonylContact O-C 3.54Å; I243-L246 PolarHBondContact O-N 2.87Å; L246-D248 PolarHBondContact O-N 3.36Å; L246-D248 VanDerWaalsContact O-N 3.12Å; L246-C249 WeakPolarHBondContact O-CB 3.42Å; L246-C249 PolarHBondContact O-N 2.88Å; L246-V252 HydrophobicContact CB-CG2 4.01Å; L246-V252 HydrophobicContact CD1-CG1 3.78Å; L246-V252 HydrophobicContact CD1-CG2 4.37Å
247	S	91.8	Very high	87.1	Confident	83 Å²	83	67.1 Å²	67.1	58%	0.58	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-22	-177	54.7	0	0	0	0	114.6	P242 I243	P242-S247 VanDerWaalsContact CB-CA 3.49Å; I243-S247 PolarHBondContact O-N 3.47Å
248	D	94.3	Very high	87.3	Confident	68 Å²	68	67.3 Å²	67.3	36%	0.364	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-4.9	179.4	62.9	-47.6	0	0	0	113.8	R167 T195 T199 L246	R167-D248 IonicContact CZ-OD1 3.37Å; R167-D248 IonicContact CZ-OD2 2.73Å; R167-D248 IonicContact NH1-OD1 3.48Å; R167-D248 PolarHBondContact NH1-OD1 3.27Å; R167-D248 IonicContact NH1-OD2 3.14Å; R167-D248 PolarHBondContact NH1-OD2 3.13Å; R167-D248 IonicContact NH2-OD1 3.37Å; R167-D248 PolarHBondContact NH2-OD1 3.46Å; R167-D248 IonicContact NH2-OD2 3.64Å; R167-D248 PolarHBondContact NH2-OD2 3.22Å; T195-D248 WeakPolarHBondContact CG2-OD2 3.27Å; T199-D248 WeakPolarHBondContact CB-O 3.18Å; T199-D248 WeakPolarHBondContact CG2-OD2 3.1Å; L246-D248 PolarHBondContact O-N 3.36Å; L246-D248 VanDerWaalsContact O-N 3.12Å
249	C	94.8	Very high	87.8	Confident	9 Å²	9	66.8 Å²	66.8	6%	0.061	35%	0.345	C	S	.	.			trans	-88.8	135.9	-178.9	-60.3	0	0	0	0	112.5	T199 C202 L246 T251 V252	T199-C249 CarbonylContact O-C 3.57Å; T199-C249 VanDerWaalsContact O-CA 3.27Å; T199-C249 WeakPolarHBondContact O-CA 3.33Å; C202-C249 HydrophobicContact CB-CB 3.63Å; C202-C249 WeakPolarHBondContact CB-SG 3.09Å; C202-C249 WeakPolarHBondContact SG-CB 3.29Å; C202-C249 CovalentContact SG-SG 2.02Å; C202-C249 PolarHBondContact SG-SG 3.19Å; L246-C249 WeakPolarHBondContact O-CB 3.42Å; L246-C249 PolarHBondContact O-N 2.88Å; C249-T251 VanDerWaalsContact C-N 3.34Å; C249-T251 PolarHBondContact O-N 3.2Å; C249-V252 HydrophobicContact CB-CG2 3.8Å
250	K	94.2	Very high	88.7	Confident	164 Å²	164	66.6 Å²	66.6	71%	0.713	35%	0.347	S	S	*	.	S	Bend	trans	-64.3	-38	177.6	-57.9	-180	179.8	178.4	0	112.3	T199 T200	T199-K250 PolarHBondContact O-N 3.47Å; T200-K250 WeakPolarHBondContact O-CB 3.37Å
251	T	93.7	Very high	90.2	Very high	49 Å²	49	65.1 Å²	65.1	30%	0.301	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	138.5	176.2	-53.3	0	0	0	0	109.9	T200 T201 C202 C249 Y253	T200-T251 PolarHBondContact O-N 3.46Å; T201-T251 WeakPolarHBondContact CA-O 3.38Å; C202-T251 PolarHBondContact N-O 3.38Å; C249-T251 VanDerWaalsContact C-N 3.34Å; C249-T251 PolarHBondContact O-N 3.2Å; T251-Y253 HydrophobicContact CG2-CD2 4.31Å; T251-Y253 HydrophobicContact CG2-CE2 3.75Å
252	V	95.8	Very high	91.8	Very high	8 Å²	8	58.1 Å²	58.1	5%	0.048	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.2	177.2	-178.9	0	0	0	0	110.1	C202 N239 P242 L246 C249	C202-V252 HydrophobicContact CB-CG2 4.41Å; C202-V252 CarbonylContact O-C 3.48Å; C202-V252 VanDerWaalsContact O-CA 3.29Å; C202-V252 WeakPolarHBondContact O-CA 3.24Å; N239-V252 CarbonylContact C-O 3.59Å; N239-V252 WeakPolarHBondContact CA-O 3.45Å; P242-V252 HydrophobicContact CB-CG2 3.96Å; L246-V252 HydrophobicContact CB-CG2 4.01Å; L246-V252 HydrophobicContact CD1-CG1 3.78Å; L246-V252 HydrophobicContact CD1-CG2 4.37Å; C249-V252 HydrophobicContact CB-CG2 3.8Å
253	Y	96.8	Very high	93.5	Very high	11 Å²	11	58.1 Å²	58.1	4%	0.043	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.1	169.3	-67.4	-77.5	0	0	0	110.7	L40 F172 T173 G174 T201 C202 F203 K204 I236 N239 T251	L40-Y253 HydrophobicContact CD1-CD1 4.19Å; L40-Y253 HydrophobicContact CD1-CD2 3.92Å; L40-Y253 HydrophobicContact CD1-CE1 4.2Å; L40-Y253 HydrophobicContact CD1-CE2 3.94Å; L40-Y253 HydrophobicContact CD1-CG 4.06Å; F172-Y253 HydrophobicContact CB-CE2 4.16Å; F172-Y253 PolarHBondContact O-OH 3.5Å; T173-Y253 WeakPolarHBondContact CA-OH 3.32Å; G174-Y253 PolarHBondContact N-OH 3.36Å; T201-Y253 HydrophobicContact CG2-CD2 3.62Å; T201-Y253 HydrophobicContact CG2-CE2 3.73Å; C202-Y253 PolarHBondContact O-N 2.82Å; F203-Y253 CarbonylContact C-O 3.52Å; F203-Y253 VanDerWaalsContact CA-O 3.3Å; F203-Y253 WeakPolarHBondContact CA-O 2.86Å; F203-Y253 HydrophobicContact CD1-CD2 4.28Å; F203-Y253 HydrophobicContact CD1-CG 4.41Å; F203-Y253 AromaticContact CE1-CD2 3.77Å; F203-Y253 HydrophobicContact CE1-CD2 3.77Å; F203-Y253 HydrophobicContact CE1-CG 4.19Å; F203-Y253 HydrophobicContact CZ-CD2 4.25Å; K204-Y253 PolarHBondContact N-O 3.03Å; I236-Y253 HydrophobicContact CG2-CD1 3.88Å; N239-Y253 HydrophobicContact CB-CD1 3.72Å; N239-Y253 HydrophobicContact CB-CE1 3.56Å; T251-Y253 HydrophobicContact CG2-CD2 4.31Å; T251-Y253 HydrophobicContact CG2-CE2 3.75Å
254	I	96.8	Very high	94.7	Very high	38 Å²	38	56 Å²	56	20%	0.195	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	118.8	170.8	-54.4	-179.8	0	0	0	108	K204 V237 S238 I243	K204-I254 WeakPolarHBondContact O-CA 3Å; V237-I254 HydrophobicContact CB-CB 4.45Å; V237-I254 HydrophobicContact CB-CG2 4.33Å; V237-I254 PolarHBondContact N-O 2.93Å; S238-I254 PolarHBondContact O-N 3.27Å; I243-I254 HydrophobicContact CD1-CD1 3.8Å; I243-I254 HydrophobicContact CD1-CG1 4.15Å; I243-I254 HydrophobicContact CG1-CD1 4.32Å
255	L	98.1	Very high	95.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.9	-174.5	-58.4	-170.6	0	0	0	110.6	I180 F182 F203 K204 I205 R206 F234 K235 I236	I180-L255 HydrophobicContact CD1-CD1 4.1Å; F182-L255 HydrophobicContact CE1-CD1 4.49Å; F182-L255 HydrophobicContact CE2-CD1 4.1Å; F182-L255 HydrophobicContact CZ-CD1 3.63Å; F203-L255 HydrophobicContact CD1-CD1 3.78Å; F203-L255 HydrophobicContact CD1-CG 4.26Å; F203-L255 HydrophobicContact CE1-CD1 4.4Å; K204-L255 PolarHBondContact O-N 2.02Å; I205-L255 HydrophobicContact CG1-CB 4.32Å; I205-L255 HydrophobicContact CG1-CD1 4.2Å; I205-L255 HydrophobicContact CG2-CB 4.32Å; R206-L255 PolarHBondContact N-O 3.06Å; F234-L255 HydrophobicContact CB-CB 4.05Å; F234-L255 HydrophobicContact CB-CD1 4.33Å; F234-L255 HydrophobicContact CD1-CB 4.18Å; F234-L255 HydrophobicContact CG-CB 4.34Å; F234-L255 HydrophobicContact CG-CD1 4.48Å; K235-L255 WeakPolarHBondContact O-CA 3.25Å; I236-L255 HydrophobicContact CB-CD2 4.19Å; I236-L255 HydrophobicContact CG1-CD2 3.66Å; I236-L255 HydrophobicContact CG2-CD2 4.45Å
256	N	98.3	Very high	95.7	Very high	65 Å²	65	44.2 Å²	44.2	35%	0.348	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.3	170.8	-82.5	-8	0	0	0	110.2	R206 F234 K235 V237 T258	R206-N256 WeakPolarHBondContact CB-OD1 3.47Å; F234-N256 CarbonylContact C-O 3.57Å; F234-N256 VanDerWaalsContact CA-O 3.26Å; F234-N256 WeakPolarHBondContact CA-O 3.41Å; K235-N256 PolarHBondContact N-O 2.91Å; K235-N256 PolarHBondContact O-N 2.85Å; V237-N256 HydrophobicContact CG2-CB 3.9Å; N256-T258 PolarHBondContact O-N 2.78Å
257	S	98.6	Very high	95.5	Very high	20 Å²	20	48.6 Å²	48.6	14%	0.14	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	133	172.8	-177	0	0	0	0	110.7	R206 E232 T233	R206-S257 WeakPolarHBondContact O-CB 3.39Å; R206-S257 PolarHBondContact O-N 3.48Å; E232-S257 WeakPolarHBondContact OE1-CB 3.49Å; E232-S257 PolarHBondContact OE1-OG 3.35Å; T233-S257 WeakPolarHBondContact O-CA 3.14Å
258	T	98.4	Very high	95.3	Very high	73 Å²	73	44.6 Å²	44.6	45%	0.448	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	2.1	176.9	46.1	0	0	0	0	112.9	T233 F234 K235 N256	T233-T258 VanDerWaalsContact C-OG1 3.28Å; T233-T258 WeakPolarHBondContact CB-OG1 3.37Å; T233-T258 PolarHBondContact O-N 2.77Å; T233-T258 PolarHBondContact O-OG1 2.85Å; T233-T258 PolarHBondContact OG1-OG1 2.92Å; F234-T258 PolarHBondContact N-OG1 3.37Å; K235-T258 HydrophobicContact CB-CG2 3.7Å; N256-T258 PolarHBondContact O-N 2.78Å
259	G	97.9	Very high	94.7	Very high	22 Å²	22	42.6 Å²	42.6	23%	0.227	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	116.1	-152.2	-175.5	0	0	0	0	0	111.8	T233	T233-G259 PolarHBondContact N-O 3.12Å; T233-G259 VanDerWaalsContact OG1-C 3.31Å; T233-G259 PolarHBondContact OG1-O 2.86Å
260	V	97.8	Very high	93.4	Very high	63 Å²	63	49.9 Å²	49.9	38%	0.382	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.7	-175.1	-62.2	0	0	0	0	110.7	M50 H209 Y231	M50-V260 HydrophobicContact CE-CB 4.13Å; M50-V260 HydrophobicContact CE-CG1 4.33Å; M50-V260 HydrophobicContact CE-CG2 3.95Å; M50-V260 HydrophobicContact SD-CB 4.28Å; M50-V260 HydrophobicContact SD-CG2 4.32Å; H209-V260 VanDerWaalsContact CE1-CG1 3.47Å; H209-V260 WeakPolarHBondContact CE1-CG1 3.47Å; Y231-V260 HydrophobicContact CD2-CB 4.03Å; Y231-V260 HydrophobicContact CD2-CG1 3.65Å; Y231-V260 HydrophobicContact CE2-CG1 3.95Å; Y231-V260 WeakPolarHBondContact O-CA 3.4Å
261	Q	97.3	Very high	91.7	Very high	88 Å²	88	46.2 Å²	46.2	41%	0.411	25%	0.25	S	C	.	.			trans	-144.3	128.6	167.4	-177	-177.8	-43	0	0	107.3	M42 R181 Y231 T233	M42-Q261 HydrophobicContact CE-CB 4.49Å; R181-Q261 PolarHBondContact NH1-O 3.37Å; Y231-Q261 PolarHBondContact O-N 3.46Å; Y231-Q261 VanDerWaalsContact O-O 3.12Å; T233-Q261 HydrophobicContact CG2-CB 3.66Å
262	S	96.4	Very high	89.5	Confident	34 Å²	34	49.9 Å²	49.9	24%	0.238	27%	0.266	C	S	.	.			trans	-126.9	138.1	176	-165	0	0	0	0	110.6	D48 L264	D48-S262 VanDerWaalsContact C-OG 3.31Å; D48-S262 PolarHBondContact O-OG 2.73Å; D48-S262 PolarHBondContact OD1-OG 3.12Å; D48-S262 VanDerWaalsContact OD1-OG 3.08Å; S262-L264 WeakPolarHBondContact CB-O 3.19Å; S262-L264 PolarHBondContact OG-N 2.73Å; S262-L264 PolarHBondContact OG-O 2.78Å
263	N	95.4	Very high	87.3	Confident	53 Å²	53	53.9 Å²	53.9	28%	0.283	29%	0.287	S	S	.	.	S	Bend	trans	-92	-10.1	173.9	-64.6	-25.1	0	0	0	111.7	D44 D48	D44-N263 PolarHBondContact O-ND2 3.31Å; D48-N263 VanDerWaalsContact CG-N 3.28Å; D48-N263 PolarHBondContact OD1-N 2.84Å; D48-N263 WeakPolarHBondContact OD2-CB 3.47Å; D48-N263 PolarHBondContact OD2-N 3.12Å
264	L	94.4	Very high	84.5	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.026	34%	0.339	C	S	.	.			trans	-124.2	133.3	172.5	-61.4	171.9	0	0	0	109.4	V47 D48 D49 R131 Y134 S262	V47-L264 HydrophobicContact CB-CD1 4.33Å; V47-L264 HydrophobicContact CG1-CD1 3.98Å; D48-L264 VanDerWaalsContact OD1-CB 3.29Å; D48-L264 WeakPolarHBondContact OD1-CB 3.44Å; D48-L264 WeakPolarHBondContact OD1-CG 3.15Å; D48-L264 PolarHBondContact OD1-N 3.14Å; D49-L264 WeakPolarHBondContact CA-O 3.46Å; D49-L264 HydrophobicContact CB-CB 3.95Å; R131-L264 HydrophobicContact CG-CD1 4Å; R131-L264 HydrophobicContact CG-CD2 3.99Å; R131-L264 HydrophobicContact CG-CG 4.01Å; Y134-L264 HydrophobicContact CD1-CD1 3.54Å; Y134-L264 HydrophobicContact CD1-CD2 3.96Å; Y134-L264 HydrophobicContact CD1-CG 4.28Å; Y134-L264 HydrophobicContact CD2-CD1 4.28Å; Y134-L264 HydrophobicContact CE1-CD1 3.99Å; Y134-L264 HydrophobicContact CG-CD1 3.69Å; S262-L264 WeakPolarHBondContact CB-O 3.19Å; S262-L264 PolarHBondContact OG-N 2.73Å; S262-L264 PolarHBondContact OG-O 2.78Å
265	D	93.4	Very high	83.9	Confident	72 Å²	72	69.1 Å²	69.1	39%	0.385	35%	0.346	S	S	.	.	S	Bend	trans	-149.2	112.6	165.5	-164.1	17.9	0	0	0	108.7	D49 Y51 S52 Q267	D49-D265 WeakPolarHBondContact OD1-CA 3.02Å; Y51-D265 PolarHBondContact N-OD1 2.78Å; S52-D265 VanDerWaalsContact CB-OD2 3.24Å; S52-D265 WeakPolarHBondContact CB-OD2 3.41Å; S52-D265 PolarHBondContact N-OD1 2.77Å; S52-D265 VanDerWaalsContact OG-CG 3.24Å; S52-D265 PolarHBondContact OG-OD1 3.08Å; S52-D265 PolarHBondContact OG-OD2 2.83Å; D265-Q267 PolarHBondContact O-N 2.93Å
266	C	93.7	Very high	83.2	Confident	4 Å²	4	72.7 Å²	72.7	3%	0.027	36%	0.364	C	S	.	.	S	Bend	trans	62.2	10.5	176.5	-64.5	0	0	0	0	117	D49 C54 I268 T269	D49-C266 PolarHBondContact OD1-N 2.77Å; D49-C266 PolarHBondContact OD2-N 2.77Å; C54-C266 HydrophobicContact CB-CB 3.59Å; C54-C266 WeakPolarHBondContact CB-SG 3.44Å; C54-C266 PolarHBondContact N-SG 2.72Å; C54-C266 WeakPolarHBondContact SG-CA 3.27Å; C54-C266 WeakPolarHBondContact SG-CB 3.5Å; C54-C266 CovalentContact SG-SG 2.03Å; C54-C266 PolarHBondContact SG-SG 2.83Å; C266-I268 PolarHBondContact O-N 2.82Å; C266-T269 PolarHBondContact O-N 2.98Å; C266-T269 PolarHBondContact O-OG1 2.76Å
267	Q	88	Confident	82.3	Confident	91 Å²	91	73.2 Å²	73.2	43%	0.425	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-36.8	-172	-174.4	-178.7	0.6	0	0	113.7	D265	D265-Q267 PolarHBondContact O-N 2.93Å
268	I	88.4	Confident	81.4	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-3.9	-174.9	62.7	177.6	0	0	0	113.5	M58 K61 Y66 Y134 H141 C266	M58-I268 HydrophobicContact CE-CD1 3.45Å; M58-I268 VanDerWaalsContact CE-CD1 3.45Å; M58-I268 HydrophobicContact CE-CG1 4.19Å; M58-I268 HydrophobicContact SD-CD1 3.91Å; M58-I268 HydrophobicContact SD-CG1 3.97Å; K61-I268 PolarHBondContact NZ-O 3.17Å; Y66-I268 HydrophobicContact CE2-CD1 4.09Å; Y134-I268 HydrophobicContact CD1-CD1 4.44Å; Y134-I268 HydrophobicContact CD1-CG2 3.76Å; Y134-I268 HydrophobicContact CE1-CB 4.47Å; Y134-I268 HydrophobicContact CE1-CD1 3.71Å; Y134-I268 HydrophobicContact CE1-CG1 3.89Å; Y134-I268 HydrophobicContact CE1-CG2 3.82Å; Y134-I268 HydrophobicContact CE2-CD1 4.11Å; H141-I268 WeakPolarHBondContact CD2-CD1 3.38Å; C266-I268 PolarHBondContact O-N 2.82Å
269	T	80.6	Confident	80.3	Confident	25 Å²	25	76.5 Å²	76.5	15%	0.153	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-18.3	176.7	63.1	0	0	0	0	113.1	C54 M58 C266	C54-T269 HydrophobicContact CB-CG2 3.83Å; C54-T269 WeakPolarHBondContact CB-OG1 3.46Å; M58-T269 HydrophobicContact CB-CG2 3.64Å; M58-T269 HydrophobicContact CG-CG2 4.21Å; M58-T269 HydrophobicContact SD-CG2 3.74Å; C266-T269 PolarHBondContact O-N 2.98Å; C266-T269 PolarHBondContact O-OG1 2.76Å
270	E	66.6	Low	79.1	Confident	162 Å²	162	80.1 Å²	80.1	76%	0.757	38%	0.384	S	S	*	.	S	Bend	trans	-88.1	-15.7	177.2	-59.6	-172.2	161.4	0	0	112.8	I272	E270-I272 PolarHBondContact O-N 3.34Å
271	Q	59.3	Low	77.8	Confident	87 Å²	87	81.4 Å²	81.4	41%	0.407	38%	0.384	S	S	.	.			trans	-81.1	107.7	177.9	-66.3	178.5	-5.2	0	0	110.4	K61 L273	K61-Q271 PolarHBondContact NZ-O 3.1Å; Q271-L273 PolarHBondContact O-N 2.97Å
272	I	47.2	Very low	76.3	Confident	126 Å²	126	80.8 Å²	80.8	65%	0.646	38%	0.382	S	S	*	.			trans	-60	116.5	164.8	-57	177.8	0	0	0	106.8	E270 W274	E270-I272 PolarHBondContact O-N 3.34Å; I272-W274 PolarHBondContact O-N 2.87Å
273	L	50.7	Low	74.6	Confident	92 Å²	92	84.8 Å²	84.8	48%	0.482	39%	0.394	S	S	.	.			trans	-75.2	104.2	171	-68.2	173.4	0	0	0	106.8	K61 T65 Q271	K61-L273 VanDerWaalsContact CE-CD1 3.47Å; T65-L273 HydrophobicContact CG2-CD1 3.9Å; Q271-L273 PolarHBondContact O-N 2.97Å
274	W	37.9	Very low	72.8	Confident	300 Å²	300	87.6 Å²	87.6	100%	1.136	40%	0.404	S	S	*	.			trans	-71.8	0	166.5	-59	92.8	0	0	0	110.3	I272	I272-W274 PolarHBondContact O-N 2.87Å

Retrieved 274 of 274 residues in 490.1 ms (Link to these results)

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