A0A077ZBF9_TRITR Loading...

DUF3089 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBF9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 390 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.2	Very low	28.4	Very low	241 Å²	241	156 Å²	156	100%	1.187	80%	0.798	S	S	*	*				0	140.2	0	-77.4	-174.5	-88.8	0	0	108.6
2	K	29.8	Very low	28.2	Very low	194 Å²	194	151.7 Å²	151.7	84%	0.843	80%	0.803	S	S	*	*			trans	86	80.9	-169.1	-57.3	178.4	177.1	-179	0	112.5
3	K	27.6	Very low	28.2	Very low	192 Å²	192	149 Å²	149	84%	0.835	80%	0.796	S	S	*	*				39.3	86.6	83.1	-69.2	-168.3	179.3	-174.9	0	112.3
4	F	31.4	Very low	28.2	Very low	188 Å²	188	148 Å²	148	83%	0.825	79%	0.789	S	S	*	*			trans	-119.3	80.3	149.7	-93.3	-83	0	0	0	107.4	I6	F4-I6 PolarHBondContact O-N 3.44Å; F4-I6 VanDerWaalsContact O-N 3.15Å
5	I	30.4	Very low	28.4	Very low	142 Å²	142	140.9 Å²	140.9	73%	0.728	77%	0.765	S	S	*	*			trans	-70.8	93.2	153.2	-66.8	167.7	0	0	0	103.4	G7	I5-G7 PolarHBondContact O-N 3.24Å
6	I	31.5	Very low	28.8	Very low	150 Å²	150	136.4 Å²	136.4	77%	0.769	74%	0.743	S	S	*	*			trans	-64.9	121.8	167.3	-68	175.1	0	0	0	105.5	F4 L8	F4-I6 PolarHBondContact O-N 3.44Å; F4-I6 VanDerWaalsContact O-N 3.15Å; I6-L8 PolarHBondContact O-N 3Å
7	G	27.4	Very low	28.9	Very low	43 Å²	43	128.6 Å²	128.6	44%	0.443	70%	0.703	S	S	.	*			trans	-59.4	132.4	-159.2	0	0	0	0	0	113.7	I5 L9	I5-G7 PolarHBondContact O-N 3.24Å; G7-L9 PolarHBondContact O-N 3.07Å
8	L	27.3	Very low	29.1	Very low	181 Å²	181	123.3 Å²	123.3	95%	0.948	68%	0.682	S	S	*	*	S	Bend	trans	-54.3	39.8	145.6	-103.6	151.5	0	0	0	113	I6	I6-L8 PolarHBondContact O-N 3Å
9	L	25.8	Very low	29.6	Very low	165 Å²	165	123.1 Å²	123.1	86%	0.864	67%	0.671	S	S	*	*			trans	-116.8	23.7	-178	-99.4	160.3	0	0	0	112.1	G7	G7-L9 PolarHBondContact O-N 3.07Å
10	V	26.4	Very low	29.8	Very low	128 Å²	128	122.4 Å²	122.4	78%	0.776	66%	0.659	S	S	*	*	S	Bend	trans	-97.2	96	164.8	-179.2	0	0	0	0	107.2
11	V	25.8	Very low	30.2	Very low	92 Å²	92	117.7 Å²	117.7	56%	0.558	64%	0.637	S	S	*	*			trans	73.9	77.1	150.2	-167.6	0	0	0	0	115.7	V13	V11-V13 HydrophobicContact CG1-CB 3.51Å; V11-V13 HydrophobicContact CG1-CG2 3.92Å; V11-V13 PolarHBondContact O-N 3.16Å
12	A	25.4	Very low	30.5	Very low	104 Å²	104	109.3 Å²	109.3	86%	0.86	59%	0.593	S	S	*	*			trans	-69.4	42.8	146.3	0	0	0	0	0	112
13	V	28.5	Very low	30.9	Very low	117 Å²	117	102 Å²	102	71%	0.709	56%	0.564	S	S	*	*			trans	-113.7	61.3	166.5	-168.7	0	0	0	0	106.5	V11	V11-V13 HydrophobicContact CG1-CB 3.51Å; V11-V13 HydrophobicContact CG1-CG2 3.92Å; V11-V13 PolarHBondContact O-N 3.16Å
14	L	28.3	Very low	31.3	Very low	135 Å²	135	95.4 Å²	95.4	71%	0.707	54%	0.54	S	S	*	.			trans	-77.1	126.4	179.2	-74.2	165.1	0	0	0	110.4	V16	L14-V16 VanDerWaalsContact O-CG2 3.3Å; L14-V16 WeakPolarHBondContact O-CG2 3.32Å; L14-V16 PolarHBondContact O-N 3.27Å; L14-V16 VanDerWaalsContact O-N 3.11Å
15	G	30.6	Very low	31.3	Very low	41 Å²	41	94.4 Å²	94.4	42%	0.423	54%	0.536	S	S	.	.	S	Bend	trans	71.4	14.9	139.2	0	0	0	0	0	119.3
16	V	35.4	Very low	31.5	Very low	69 Å²	69	94 Å²	94	42%	0.418	53%	0.529	S	S	.	.			trans	-85.3	-10.6	-172.9	170	0	0	0	0	113.9	L14 Y20	L14-V16 VanDerWaalsContact O-CG2 3.3Å; L14-V16 WeakPolarHBondContact O-CG2 3.32Å; L14-V16 PolarHBondContact O-N 3.27Å; L14-V16 VanDerWaalsContact O-N 3.11Å; V16-Y20 HydrophobicContact CB-CG 4.17Å; V16-Y20 HydrophobicContact CG1-CD1 3.59Å; V16-Y20 HydrophobicContact CG1-CD2 4.44Å; V16-Y20 HydrophobicContact CG1-CE1 4.49Å; V16-Y20 HydrophobicContact CG1-CG 3.56Å; V16-Y20 HydrophobicContact CG2-CD1 4.47Å; V16-Y20 HydrophobicContact CG2-CD2 4.23Å; V16-Y20 HydrophobicContact CG2-CG 4.13Å; V16-Y20 WeakPolarHBondContact O-CB 3.4Å; V16-Y20 PolarHBondContact O-N 3.01Å
17	G	31.3	Very low	31.5	Very low	5 Å²	5	91.8 Å²	91.8	5%	0.052	52%	0.522	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-64	-169.3	0	0	0	0	0	118	G107	G17-G107 VanDerWaalsContact CA-CA 3.45Å
18	G	31.7	Very low	31.7	Very low	33 Å²	33	95.1 Å²	95.1	34%	0.34	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-35.5	-170.2	0	0	0	0	0	114.8
19	Y	38	Very low	31.9	Very low	119 Å²	119	95.8 Å²	95.8	47%	0.467	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-31.5	-173.9	-169.3	-101.9	0	0	0	113.5	Y22 T23	Y19-Y22 PolarHBondContact O-N 2.96Å; Y19-T23 HydrophobicContact CD1-CG2 4Å; Y19-T23 WeakPolarHBondContact CD1-OG1 3.44Å; Y19-T23 HydrophobicContact CD2-CG2 4.25Å; Y19-T23 HydrophobicContact CE1-CG2 3.51Å; Y19-T23 WeakPolarHBondContact CE1-OG1 3.44Å; Y19-T23 HydrophobicContact CE2-CG2 3.78Å; Y19-T23 HydrophobicContact CG-CG2 4.35Å; Y19-T23 PolarHBondContact O-N 3.13Å; Y19-T23 PolarHBondContact O-OG1 2.73Å
20	Y	34.7	Very low	32	Very low	108 Å²	108	97 Å²	97	42%	0.424	54%	0.539	S	S	.	.	H	α-helix	trans	-80.8	-28.3	-178.3	-136.4	-94.3	0	0	0	112.3	V16 Y22 T24	V16-Y20 HydrophobicContact CB-CG 4.17Å; V16-Y20 HydrophobicContact CG1-CD1 3.59Å; V16-Y20 HydrophobicContact CG1-CD2 4.44Å; V16-Y20 HydrophobicContact CG1-CE1 4.49Å; V16-Y20 HydrophobicContact CG1-CG 3.56Å; V16-Y20 HydrophobicContact CG2-CD1 4.47Å; V16-Y20 HydrophobicContact CG2-CD2 4.23Å; V16-Y20 HydrophobicContact CG2-CG 4.13Å; V16-Y20 WeakPolarHBondContact O-CB 3.4Å; V16-Y20 PolarHBondContact O-N 3.01Å; Y20-Y22 PolarHBondContact O-N 3.13Å; Y20-Y22 VanDerWaalsContact O-N 3.15Å; Y20-T24 HydrophobicContact CD1-CG2 4.12Å; Y20-T24 WeakPolarHBondContact CD1-OG1 3.12Å; Y20-T24 WeakPolarHBondContact CD2-OG1 3.47Å; Y20-T24 HydrophobicContact CE1-CG2 3.37Å; Y20-T24 WeakPolarHBondContact CE1-OG1 3.37Å; Y20-T24 HydrophobicContact CE2-CG2 4.1Å; Y20-T24 WeakPolarHBondContact CE2-OG1 3.09Å; Y20-T24 PolarHBondContact O-N 2.81Å; Y20-T24 VanDerWaalsContact OH-CG2 3.3Å; Y20-T24 WeakPolarHBondContact OH-CG2 3.49Å
21	A	37.3	Very low	32.3	Very low	24 Å²	24	95.2 Å²	95.2	20%	0.198	54%	0.537	C	S	.	.	H	α-helix	trans	-58.5	-22.3	165.6	0	0	0	0	0	111.9
22	Y	36.2	Very low	32.5	Very low	66 Å²	66	95.8 Å²	95.8	26%	0.259	54%	0.543	S	S	.	.	H	α-helix	trans	-104.8	-32.4	-177.6	-129.9	-82	0	0	0	114.9	Y19 Y20 K136 T325	Y19-Y22 PolarHBondContact O-N 2.96Å; Y20-Y22 PolarHBondContact O-N 3.13Å; Y20-Y22 VanDerWaalsContact O-N 3.15Å; Y22-K136 VanDerWaalsContact CE1-CE 3.43Å; Y22-K136 VanDerWaalsContact CE2-CE 3.44Å; Y22-K136 HydrophobicContact CE2-CG 4.41Å; Y22-K136 WeakPolarHBondContact OH-CE 3.45Å; Y22-K136 WeakPolarHBondContact OH-CG 3.3Å; Y22-T325 HydrophobicContact CD1-CG2 4.32Å; Y22-T325 HydrophobicContact CE1-CG2 3.42Å; Y22-T325 VanDerWaalsContact CE1-CG2 3.42Å; Y22-T325 WeakPolarHBondContact OH-CG2 3.37Å
23	T	37.4	Very low	32.7	Very low	39 Å²	39	101 Å²	101	24%	0.239	55%	0.546	C	S	.	.	H	α-helix	trans	-104.7	-35.7	-170.9	54.3	0	0	0	0	115.5	Y19	Y19-T23 HydrophobicContact CD1-CG2 4Å; Y19-T23 WeakPolarHBondContact CD1-OG1 3.44Å; Y19-T23 HydrophobicContact CD2-CG2 4.25Å; Y19-T23 HydrophobicContact CE1-CG2 3.51Å; Y19-T23 WeakPolarHBondContact CE1-OG1 3.44Å; Y19-T23 HydrophobicContact CE2-CG2 3.78Å; Y19-T23 HydrophobicContact CG-CG2 4.35Å; Y19-T23 PolarHBondContact O-N 3.13Å; Y19-T23 PolarHBondContact O-OG1 2.73Å
24	T	35.9	Very low	33.1	Very low	55 Å²	55	103.7 Å²	103.7	34%	0.337	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.9	-8.3	-167.9	-27.9	0	0	0	0	114.6	Y20	Y20-T24 HydrophobicContact CD1-CG2 4.12Å; Y20-T24 WeakPolarHBondContact CD1-OG1 3.12Å; Y20-T24 WeakPolarHBondContact CD2-OG1 3.47Å; Y20-T24 HydrophobicContact CE1-CG2 3.37Å; Y20-T24 WeakPolarHBondContact CE1-OG1 3.37Å; Y20-T24 HydrophobicContact CE2-CG2 4.1Å; Y20-T24 WeakPolarHBondContact CE2-OG1 3.09Å; Y20-T24 PolarHBondContact O-N 2.81Å; Y20-T24 VanDerWaalsContact OH-CG2 3.3Å; Y20-T24 WeakPolarHBondContact OH-CG2 3.49Å
25	F	31.5	Very low	33.5	Very low	166 Å²	166	106.3 Å²	106.3	73%	0.728	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	0.1	169.8	-79.9	-74.8	0	0	0	114.1
26	F	35.5	Very low	33.7	Very low	134 Å²	134	109 Å²	109	59%	0.588	58%	0.578	S	S	*	*	S	Bend	trans	-138.8	24.2	-174.6	-63	-71.1	0	0	0	115.8
27	T	31.8	Very low	34	Very low	103 Å²	103	116.5 Å²	116.5	63%	0.632	60%	0.599	S	S	*	*	S	Bend	trans	-93.9	93.5	157.7	49.5	0	0	0	0	109.4
28	S	31.4	Very low	34.3	Very low	114 Å²	114	125.9 Å²	125.9	80%	0.797	64%	0.638	S	S	*	*			trans	42.4	86.3	153.1	62.8	0	0	0	0	117.8
29	E	30.8	Very low	35.1	Very low	194 Å²	194	129.1 Å²	129.1	91%	0.907	65%	0.651	S	S	*	*			trans	-120.6	127.8	142.5	-83.6	-171.8	157.1	0	0	108.1	A31	E29-A31 PolarHBondContact O-N 3.37Å
30	E	28.6	Very low	35.6	Very low	192 Å²	192	130.1 Å²	130.1	90%	0.897	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-49.3	125.3	177.5	-73.4	176.8	130.1	0	0	110.6	P32	E30-P32 WeakPolarHBondContact O-CD 3.41Å
31	A	31.6	Very low	36.5	Very low	90 Å²	90	130.3 Å²	130.3	74%	0.744	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-57.1	123.5	172.2	0	0	0	0	0	109.3	E29 K33	E29-A31 PolarHBondContact O-N 3.37Å; A31-K33 PolarHBondContact O-N 3.07Å
32	P	30.6	Very low	37.5	Very low	104 Å²	104	138.2 Å²	138.2	68%	0.675	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-61.3	131.2	173.1	-16.2	28	0	0	0	108.5	E30 Q34	E30-P32 WeakPolarHBondContact O-CD 3.41Å; P32-Q34 VanDerWaalsContact C-N 3.28Å; P32-Q34 PolarHBondContact O-N 3.37Å
33	K	30.4	Very low	38.9	Very low	213 Å²	213	142 Å²	142	93%	0.926	73%	0.725	S	S	*	*			trans	-58.4	90.7	170.1	-71.3	178.8	178.4	175.4	0	108.8	A31	A31-K33 PolarHBondContact O-N 3.07Å
34	Q	36.9	Very low	40.8	Very low	174 Å²	174	141.2 Å²	141.2	81%	0.813	72%	0.722	S	S	*	*			trans	-86.1	124.8	172.1	-69.4	-155.5	-9.4	0	0	109.6	P32	P32-Q34 VanDerWaalsContact C-N 3.28Å; P32-Q34 PolarHBondContact O-N 3.37Å
35	E	35.5	Very low	43.1	Very low	190 Å²	190	146 Å²	146	89%	0.888	74%	0.738	S	S	*	*			trans	-51.3	136.6	172.5	-75.3	177	134.8	0	0	111	R37	E35-R37 VanDerWaalsContact C-N 3.26Å; E35-R37 PolarHBondContact O-N 2.77Å
36	A	36.2	Very low	45.8	Very low	98 Å²	98	141.9 Å²	141.9	81%	0.81	72%	0.721	S	S	*	*			trans	-68.3	76.6	-176.9	0	0	0	0	0	112	K38	A36-K38 PolarHBondContact O-N 3.34Å
37	R	41.3	Very low	48.6	Very low	226 Å²	226	135.8 Å²	135.8	85%	0.853	70%	0.695	S	S	*	*			trans	-76.5	103.9	156.9	-140.4	177.2	-166.8	-179.7	4.1	106.5	E35 T39	E35-R37 VanDerWaalsContact C-N 3.26Å; E35-R37 PolarHBondContact O-N 2.77Å; R37-T39 PolarHBondContact O-N 3.35Å; R37-T39 PolarHBondContact O-OG1 2.74Å
38	K	38.2	Very low	51.6	Low	202 Å²	202	133.2 Å²	133.2	88%	0.878	68%	0.676	S	S	*	*			trans	-65.4	69	172	-70.6	-176.7	178.4	-179.7	0	110.3	A36	A36-K38 PolarHBondContact O-N 3.34Å
39	T	46.5	Very low	54.7	Low	100 Å²	100	130.1 Å²	130.1	61%	0.613	65%	0.648	S	S	*	*			trans	-79	120.2	155.3	32.5	0	0	0	0	106.4	R37 I41	R37-T39 PolarHBondContact O-N 3.35Å; R37-T39 PolarHBondContact O-OG1 2.74Å; T39-I41 WeakPolarHBondContact O-CG1 3.13Å; T39-I41 PolarHBondContact O-N 3.22Å
40	T	49.4	Very low	57.7	Low	140 Å²	140	123.1 Å²	123.1	86%	0.859	62%	0.623	S	S	*	*			trans	-61.2	87.5	168.9	-34.3	0	0	0	0	107.4	K42	T40-K42 PolarHBondContact O-N 3.35Å
41	I	53.5	Low	60.7	Low	112 Å²	112	118.2 Å²	118.2	57%	0.574	62%	0.624	S	S	*	*			trans	-66.2	109.4	178.7	-57.5	177.2	0	0	0	105.8	T39 K43 N92	T39-I41 WeakPolarHBondContact O-CG1 3.13Å; T39-I41 PolarHBondContact O-N 3.22Å; I41-K43 PolarHBondContact O-N 3.41Å; I41-N92 HydrophobicContact CG2-CB 4.4Å
42	K	58.4	Low	63.8	Low	191 Å²	191	119 Å²	119	83%	0.83	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-61.9	119.7	176.3	-71.9	-175.7	177.2	-177.8	0	107.7	T40	T40-K42 PolarHBondContact O-N 3.35Å
43	K	66.4	Low	66.9	Low	146 Å²	146	119 Å²	119	64%	0.635	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-48.4	140.3	168.8	-169.5	-173.3	179.5	-159.1	0	108.6	I41 K45 E46	I41-K43 PolarHBondContact O-N 3.41Å; K43-K45 PolarHBondContact O-N 3.18Å; K43-E46 IonicContact NZ-OE1 3.32Å; K43-E46 PolarHBondContact NZ-OE1 3.34Å
44	A	76.4	Confident	70	Confident	22 Å²	22	110.9 Å²	110.9	18%	0.182	59%	0.588	C	S	.	*	P	Polyproline II helix	trans	-53.1	142.4	175	0	0	0	0	0	110.4	E46 N92 S93	A44-E46 PolarHBondContact O-N 2.97Å; A44-N92 WeakPolarHBondContact CB-O 3.25Å; A44-S93 WeakPolarHBondContact CB-O 3.37Å
45	K	84.5	Confident	72.9	Confident	154 Å²	154	111.6 Å²	111.6	67%	0.67	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-57.3	132.6	171.9	-169.6	-164.6	173.7	-164.9	0	108.2	K43 E48	K43-K45 PolarHBondContact O-N 3.18Å; K45-E48 IonicContact NZ-OE1 2.63Å; K45-E48 PolarHBondContact NZ-OE1 3.49Å
46	E	88.4	Confident	75.9	Confident	81 Å²	81	104.1 Å²	104.1	38%	0.379	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-67.3	147.8	173.8	-67.1	-176	176.3	0	0	110	K43 A44 Y149	K43-E46 IonicContact NZ-OE1 3.32Å; K43-E46 PolarHBondContact NZ-OE1 3.34Å; A44-E46 PolarHBondContact O-N 2.97Å; E46-Y149 PolarHBondContact OE2-OH 3.28Å
47	P	92.9	Very high	78.9	Confident	6 Å²	6	100.2 Å²	100.2	4%	0.039	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-62.9	149	178.9	-19.9	33.6	0	0	0	110.8	K49 P95 V96 L133 W137 Y149	P47-K49 PolarHBondContact O-N 3.02Å; P47-P95 HydrophobicContact CG-CB 4.44Å; P47-P95 HydrophobicContact CG-CG 3.59Å; P47-V96 HydrophobicContact CB-CB 4.09Å; P47-V96 HydrophobicContact CB-CG1 3.96Å; P47-V96 HydrophobicContact CG-CB 4.03Å; P47-V96 HydrophobicContact CG-CG1 4.07Å; P47-L133 HydrophobicContact CB-CD2 4.1Å; P47-L133 HydrophobicContact CG-CD2 3.75Å; P47-W137 HydrophobicContact CG-CH2 3.99Å; P47-W137 HydrophobicContact CG-CZ3 4.37Å; P47-Y149 HydrophobicContact CB-CD1 4.29Å; P47-Y149 HydrophobicContact CG-CD1 4.41Å
48	E	95.9	Very high	81.6	Confident	49 Å²	49	94 Å²	94	23%	0.229	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-59.6	131.5	172.8	-66.2	75.6	-166.8	0	0	110.7	K45 E52 I54 V153	K45-E48 IonicContact NZ-OE1 2.63Å; K45-E48 PolarHBondContact NZ-OE1 3.49Å; E48-E52 WeakPolarHBondContact CA-OE2 3.47Å; E48-E52 HydrophobicContact CB-CB 4.31Å; E48-E52 WeakPolarHBondContact CB-OE2 3.15Å; E48-I54 HydrophobicContact CB-CD1 3.99Å; E48-I54 HydrophobicContact CB-CG1 3.61Å; E48-I54 HydrophobicContact CG-CG1 4.35Å; E48-V153 HydrophobicContact CB-CG2 4Å
49	K	95.6	Very high	84.5	Confident	48 Å²	48	84.6 Å²	84.6	21%	0.209	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-91.7	168.6	-178	-69.4	179.9	175.3	-168.8	0	111.7	P47 G51 E52 Q148 Y149	P47-K49 PolarHBondContact O-N 3.02Å; K49-G51 PolarHBondContact O-N 3.37Å; K49-E52 PolarHBondContact N-OE2 2.74Å; K49-E52 VanDerWaalsContact N-OE2 3.15Å; K49-E52 WeakPolarHBondContact O-CB 3.43Å; K49-E52 PolarHBondContact O-N 3.32Å; K49-E52 VanDerWaalsContact O-N 3.07Å; K49-Q148 WeakPolarHBondContact CA-O 3.46Å; K49-Q148 HydrophobicContact CB-CB 4.44Å; K49-Q148 HydrophobicContact CD-CB 4.2Å; K49-Q148 HydrophobicContact CG-CB 4.33Å; K49-Y149 HydrophobicContact CD-CE1 4.06Å; K49-Y149 WeakPolarHBondContact CE-OH 3.3Å; K49-Y149 HydrophobicContact CG-CD1 3.71Å; K49-Y149 HydrophobicContact CG-CE1 3.62Å
50	A	94.1	Very high	86.9	Confident	47 Å²	47	83.3 Å²	83.3	39%	0.388	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	132.3	168	0	0	0	0	0	111.8	E52 Q148 D151	A50-E52 VanDerWaalsContact C-N 3.32Å; A50-Q148 PolarHBondContact N-O 3.39Å; A50-D151 HydrophobicContact CB-CB 3.74Å
51	G	92.8	Very high	89.3	Confident	89 Å²	89	79.8 Å²	79.8	92%	0.918	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	-11	-178.7	0	0	0	0	0	115.2	K49	K49-G51 PolarHBondContact O-N 3.37Å
52	E	95.7	Very high	91.3	Very high	106 Å²	106	77.8 Å²	77.8	50%	0.495	44%	0.44	S	S	.	.	S	Bend	trans	-82.7	159.5	172.2	-61.5	-176.5	173.6	0	0	111.8	E48 K49 A50 I54	E48-E52 WeakPolarHBondContact CA-OE2 3.47Å; E48-E52 HydrophobicContact CB-CB 4.31Å; E48-E52 WeakPolarHBondContact CB-OE2 3.15Å; K49-E52 PolarHBondContact N-OE2 2.74Å; K49-E52 VanDerWaalsContact N-OE2 3.15Å; K49-E52 WeakPolarHBondContact O-CB 3.43Å; K49-E52 PolarHBondContact O-N 3.32Å; K49-E52 VanDerWaalsContact O-N 3.07Å; A50-E52 VanDerWaalsContact C-N 3.32Å; E52-I54 PolarHBondContact O-N 3.37Å; E52-I54 VanDerWaalsContact O-N 3.13Å
53	A	95.2	Very high	93.2	Very high	105 Å²	105	73.8 Å²	73.8	87%	0.868	43%	0.428	S	S	*	.			trans	-72.3	106.5	179.4	0	0	0	0	0	111
54	I	97.2	Very high	94.8	Very high	43 Å²	43	67.4 Å²	67.4	22%	0.221	40%	0.4	C	S	.	.			trans	-117.7	120.2	-178.6	-60.7	161.2	0	0	0	109.2	E48 E52 G152 V153 A156	E48-I54 HydrophobicContact CB-CD1 3.99Å; E48-I54 HydrophobicContact CB-CG1 3.61Å; E48-I54 HydrophobicContact CG-CG1 4.35Å; E52-I54 PolarHBondContact O-N 3.37Å; E52-I54 VanDerWaalsContact O-N 3.13Å; I54-G152 VanDerWaalsContact CD1-C 3.4Å; I54-V153 HydrophobicContact CD1-CG2 4.41Å; I54-V153 HydrophobicContact CG1-CG2 4.49Å; I54-V153 HydrophobicContact CG2-CG2 4.26Å; I54-A156 HydrophobicContact CB-CB 4.18Å; I54-A156 HydrophobicContact CG2-CB 3.55Å
55	K	97.3	Very high	95.8	Very high	188 Å²	188	67.1 Å²	67.1	82%	0.817	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-80.8	116.1	165.7	-173.7	177.9	179.6	-178.9	0	108.4	R131	K55-R131 PolarHBondContact O-NH2 2.87Å
56	A	98.1	Very high	96.5	Very high	34 Å²	34	60.4 Å²	60.4	28%	0.281	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-66.9	158.6	173.7	0	0	0	0	0	111.6	A156 D157 A160	A56-A156 HydrophobicContact CB-CB 4.5Å; A56-A156 WeakPolarHBondContact CB-O 3.26Å; A56-D157 WeakPolarHBondContact CA-OD1 3.36Å; A56-A160 HydrophobicContact CB-CB 3.59Å
57	S	98.4	Very high	97	Very high	16 Å²	16	57.4 Å²	57.4	11%	0.112	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-61.5	149.2	167.7	-62.2	0	0	0	0	110.8	Y59 I99 D157	S57-Y59 VanDerWaalsContact O-CD2 3.26Å; S57-Y59 WeakPolarHBondContact O-CD2 3.43Å; S57-Y59 WeakPolarHBondContact O-CE2 3.41Å; S57-I99 WeakPolarHBondContact OG-CD1 3.42Å; S57-I99 WeakPolarHBondContact OG-CG1 3.32Å; S57-D157 PolarHBondContact N-OD1 3.45Å; S57-D157 VanDerWaalsContact OG-CG 3.31Å; S57-D157 PolarHBondContact OG-OD1 3.02Å; S57-D157 PolarHBondContact OG-OD2 3.29Å
58	D	98.5	Very high	97.2	Very high	94 Å²	94	61 Å²	61	50%	0.503	37%	0.37	S	S	.	.			trans	-88.6	108.2	-177.4	179	3	0	0	0	110.9	S60 N61 N64	D58-S60 VanDerWaalsContact C-N 3.34Å; D58-S60 VanDerWaalsContact CG-OG 3.28Å; D58-S60 WeakPolarHBondContact OD1-CB 3.5Å; D58-S60 PolarHBondContact OD1-N 3.15Å; D58-S60 PolarHBondContact OD1-OG 3.27Å; D58-S60 PolarHBondContact OD2-OG 2.79Å; D58-N61 WeakPolarHBondContact O-CB 3.12Å; D58-N61 PolarHBondContact O-N 3Å; D58-N64 PolarHBondContact O-ND2 3.31Å
59	Y	98.6	Very high	97.2	Very high	6 Å²	6	60.2 Å²	60.2	2%	0.024	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	0	-176.9	-70.4	-78.6	0	0	0	114.6	S57 N64 W65 P128 Y129 D157 A160 A161 Y164	S57-Y59 VanDerWaalsContact O-CD2 3.26Å; S57-Y59 WeakPolarHBondContact O-CD2 3.43Å; S57-Y59 WeakPolarHBondContact O-CE2 3.41Å; Y59-N64 HydrophobicContact CD1-CB 4.16Å; Y59-N64 HydrophobicContact CE1-CB 4.18Å; Y59-W65 AromaticContact CD1-CE2 3.98Å; Y59-W65 AromaticContact CD1-CZ2 4Å; Y59-W65 HydrophobicContact CD1-CZ2 4Å; Y59-W65 HydrophobicContact CG-CZ2 4.35Å; Y59-W65 PolarHBondContact O-NE1 3.15Å; Y59-P128 HydrophobicContact CD1-CB 4.16Å; Y59-P128 HydrophobicContact CE1-CB 3.49Å; Y59-P128 VanDerWaalsContact CE1-CB 3.49Å; Y59-Y129 VanDerWaalsContact CE1-O 3.28Å; Y59-Y129 WeakPolarHBondContact CE1-O 3.15Å; Y59-Y129 PolarHBondContact OH-O 2.84Å; Y59-D157 WeakPolarHBondContact CE2-O 3.48Å; Y59-D157 WeakPolarHBondContact OH-CB 3.44Å; Y59-D157 PolarHBondContact OH-O 3.5Å; Y59-A160 HydrophobicContact CD2-CB 3.88Å; Y59-A160 HydrophobicContact CE2-CB 4Å; Y59-A161 HydrophobicContact CD1-CB 3.78Å; Y59-A161 VanDerWaalsContact CD2-CA 3.43Å; Y59-A161 HydrophobicContact CD2-CB 3.86Å; Y59-A161 VanDerWaalsContact CD2-N 3.29Å; Y59-A161 HydrophobicContact CE1-CB 3.58Å; Y59-A161 HydrophobicContact CE2-CB 3.66Å; Y59-A161 HydrophobicContact CG-CB 3.91Å; Y59-Y164 WeakPolarHBondContact O-CE1 3.38Å
60	S	98.2	Very high	97.1	Very high	72 Å²	72	64.8 Å²	64.8	50%	0.503	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-22.1	161.8	73.7	0	0	0	0	112.2	D58 A62 Y164	D58-S60 VanDerWaalsContact C-N 3.34Å; D58-S60 VanDerWaalsContact CG-OG 3.28Å; D58-S60 WeakPolarHBondContact OD1-CB 3.5Å; D58-S60 PolarHBondContact OD1-N 3.15Å; D58-S60 PolarHBondContact OD1-OG 3.27Å; D58-S60 PolarHBondContact OD2-OG 2.79Å; S60-A62 PolarHBondContact O-N 3.16Å; S60-Y164 VanDerWaalsContact CA-CE2 3.48Å
61	N	98.3	Very high	97.2	Very high	67 Å²	67	69.5 Å²	69.5	36%	0.358	42%	0.416	S	S	.	.	S	Bend	trans	-78.2	116.6	172.7	-175.1	-4.9	0	0	0	110.9	D58 D63 N64	D58-N61 WeakPolarHBondContact O-CB 3.12Å; D58-N61 PolarHBondContact O-N 3Å; N61-D63 PolarHBondContact O-N 3.43Å; N61-D63 VanDerWaalsContact O-N 3.16Å; N61-D63 WeakPolarHBondContact OD1-CB 3.18Å; N61-D63 PolarHBondContact OD1-N 3.49Å; N61-N64 PolarHBondContact O-N 3Å
62	A	97.2	Very high	97.4	Very high	70 Å²	70	69.4 Å²	69.4	58%	0.579	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-54.7	-31.9	176.5	0	0	0	0	0	113.3	S60 N64 W65	S60-A62 PolarHBondContact O-N 3.16Å; A62-N64 PolarHBondContact O-N 3.34Å; A62-N64 VanDerWaalsContact O-N 3.15Å; A62-W65 WeakPolarHBondContact O-CB 3.3Å; A62-W65 PolarHBondContact O-N 2.89Å
63	D	97.8	Very high	97.4	Very high	107 Å²	107	70.3 Å²	70.3	57%	0.572	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-68.4	-12.1	179.5	-71.8	-20.6	0	0	0	113.7	N61 W65 R105	N61-D63 PolarHBondContact O-N 3.43Å; N61-D63 VanDerWaalsContact O-N 3.16Å; N61-D63 WeakPolarHBondContact OD1-CB 3.18Å; N61-D63 PolarHBondContact OD1-N 3.49Å; D63-W65 VanDerWaalsContact C-N 3.31Å; D63-R105 VanDerWaalsContact O-CZ 3.26Å; D63-R105 PolarHBondContact O-NH1 2.96Å; D63-R105 PolarHBondContact O-NH2 3.15Å
64	N	98.7	Very high	97.4	Very high	12 Å²	12	66.7 Å²	66.7	6%	0.064	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-90.2	3.8	174.2	-71.1	-25.7	0	0	0	112.9	D58 Y59 N61 A62 I99 Y129	D58-N64 PolarHBondContact O-ND2 3.31Å; Y59-N64 HydrophobicContact CD1-CB 4.16Å; Y59-N64 HydrophobicContact CE1-CB 4.18Å; N61-N64 PolarHBondContact O-N 3Å; A62-N64 PolarHBondContact O-N 3.34Å; A62-N64 VanDerWaalsContact O-N 3.15Å; N64-I99 WeakPolarHBondContact OD1-CG1 3.45Å; N64-Y129 PolarHBondContact O-N 3.36Å
65	W	98.7	Very high	97.4	Very high	15 Å²	15	69.4 Å²	69.4	6%	0.057	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.1	171.2	-64.6	88.2	0	0	0	110.5	Y59 A62 D63 K68 F79 Y126 A127 P128 Y129 Y164	Y59-W65 AromaticContact CD1-CE2 3.98Å; Y59-W65 AromaticContact CD1-CZ2 4Å; Y59-W65 HydrophobicContact CD1-CZ2 4Å; Y59-W65 HydrophobicContact CG-CZ2 4.35Å; Y59-W65 PolarHBondContact O-NE1 3.15Å; A62-W65 WeakPolarHBondContact O-CB 3.3Å; A62-W65 PolarHBondContact O-N 2.89Å; D63-W65 VanDerWaalsContact C-N 3.31Å; W65-K68 HydrophobicContact CB-CB 3.99Å; W65-K68 HydrophobicContact CG-CB 4.23Å; W65-K68 HydrophobicContact CG-CD 4.21Å; W65-F79 HydrophobicContact CH2-CE2 4.22Å; W65-F79 HydrophobicContact CZ3-CE2 4.08Å; W65-Y126 HydrophobicContact CZ3-CD1 4.47Å; W65-A127 CarbonylContact C-O 3.55Å; W65-P128 HydrophobicContact CE3-CB 4.21Å; W65-P128 HydrophobicContact CZ3-CB 4.08Å; W65-Y129 WeakPolarHBondContact O-CE2 3.37Å; W65-Y164 AromaticContact CZ2-CD1 3.91Å; W65-Y164 HydrophobicContact CZ2-CD1 3.91Å
66	L	98.6	Very high	97.4	Very high	13 Å²	13	60.4 Å²	60.4	7%	0.068	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	-43.9	168	169.1	68.7	0	0	0	110.2	Y82 A108 Q109 L112 A127 Y129	L66-Y82 HydrophobicContact CD2-CD1 3.8Å; L66-Y82 HydrophobicContact CD2-CE1 4.19Å; L66-Y82 HydrophobicContact CD2-CG 4.46Å; L66-A108 HydrophobicContact CD1-CB 3.86Å; L66-A108 HydrophobicContact CD2-CB 3.91Å; L66-A108 HydrophobicContact CG-CB 4.49Å; L66-Q109 VanDerWaalsContact CD1-CD 3.41Å; L66-Q109 HydrophobicContact CD1-CG 3.81Å; L66-L112 HydrophobicContact CD2-CB 4.03Å; L66-L112 HydrophobicContact CD2-CD2 4.37Å; L66-L112 HydrophobicContact CG-CD2 4.09Å; L66-A127 WeakPolarHBondContact CA-O 3.42Å; L66-A127 HydrophobicContact CB-CB 4.07Å; L66-A127 VanDerWaalsContact CB-O 3.3Å; L66-A127 WeakPolarHBondContact CB-O 3.42Å; L66-A127 HydrophobicContact CD2-CB 3.93Å; L66-A127 HydrophobicContact CG-CB 4.22Å; L66-A127 PolarHBondContact N-O 2.86Å; L66-Y129 HydrophobicContact CB-CD1 4.09Å; L66-Y129 HydrophobicContact CB-CD2 4.38Å; L66-Y129 HydrophobicContact CB-CE1 3.84Å; L66-Y129 HydrophobicContact CB-CE2 4.17Å; L66-Y129 HydrophobicContact CB-CG 4.35Å; L66-Y129 HydrophobicContact CD1-CE1 3.6Å; L66-Y129 WeakPolarHBondContact CD1-OH 3.27Å; L66-Y129 HydrophobicContact CG-CE1 4.27Å
67	A	98.5	Very high	97.5	Very high	19 Å²	19	58.8 Å²	58.8	16%	0.157	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	132.9	172.8	0	0	0	0	0	109.6	L112 V125 Y126 A127	A67-L112 HydrophobicContact CB-CD2 3.8Å; A67-V125 HydrophobicContact CB-CG1 4.3Å; A67-Y126 WeakPolarHBondContact O-CA 3.43Å; A67-A127 HydrophobicContact CB-CB 3.98Å; A67-A127 PolarHBondContact N-O 2.77Å; A67-A127 PolarHBondContact O-N 3.3Å
68	K	97.6	Very high	97.5	Very high	81 Å²	81	58.1 Å²	58.1	35%	0.352	33%	0.329	S	S	.	.			trans	-145.8	120.6	171.3	-174	177.3	-166.2	-77.2	0	106.7	W65 Y126 E169	W65-K68 HydrophobicContact CB-CB 3.99Å; W65-K68 HydrophobicContact CG-CB 4.23Å; W65-K68 HydrophobicContact CG-CD 4.21Å; K68-Y126 HydrophobicContact CG-CD1 4.3Å; K68-Y126 HydrophobicContact CG-CE1 4.12Å; K68-E169 WeakPolarHBondContact CE-OE1 3.42Å; K68-E169 VanDerWaalsContact CE-OE2 3.26Å; K68-E169 WeakPolarHBondContact CE-OE2 3.31Å; K68-E169 IonicContact NZ-OE1 2.68Å; K68-E169 PolarHBondContact NZ-OE1 2.87Å; K68-E169 IonicContact NZ-OE2 3.22Å; K68-E169 PolarHBondContact NZ-OE2 3.47Å
69	P	96	Very high	97.5	Very high	32 Å²	32	53.7 Å²	53.7	21%	0.208	31%	0.305	C	S	.	.			trans	-61.5	138.6	-178.3	-19.8	32.3	0	0	0	111	E71 I72 N124 V125 Y126	P69-E71 WeakPolarHBondContact CB-O 3.5Å; P69-I72 HydrophobicContact CB-CD1 4.4Å; P69-N124 HydrophobicContact CB-CB 4.33Å; P69-N124 HydrophobicContact CG-CB 3.69Å; P69-V125 VanDerWaalsContact CD-O 3.3Å; P69-V125 WeakPolarHBondContact CD-O 3.22Å; P69-V125 WeakPolarHBondContact CG-O 3.43Å; P69-Y126 VanDerWaalsContact CD-CE1 3.44Å; P69-Y126 HydrophobicContact CG-CD2 4.24Å; P69-Y126 HydrophobicContact CG-CE1 4.28Å; P69-Y126 HydrophobicContact CG-CE2 3.81Å
70	T	94.1	Very high	97.5	Very high	145 Å²	145	53.5 Å²	53.5	89%	0.89	30%	0.304	S	S	*	.	S	Bend	trans	-84.5	-24.7	170.1	52.7	0	0	0	0	112.1
71	E	95.1	Very high	97.5	Very high	146 Å²	146	50.1 Å²	50.1	68%	0.682	28%	0.28	S	S	*	.	S	Bend	trans	-135.2	144.5	177	-63.7	-177.2	178.3	0	0	108.7	P69	P69-E71 WeakPolarHBondContact CB-O 3.5Å
72	I	97.2	Very high	97.6	Very high	87 Å²	87	47 Å²	47	45%	0.446	26%	0.264	S	S	.	.			trans	-93.4	115.6	176.6	-58.2	-57	0	0	0	108	P69 S74 N124 Y126	P69-I72 HydrophobicContact CB-CD1 4.4Å; I72-S74 WeakPolarHBondContact CG2-O 2.99Å; I72-N124 HydrophobicContact CD1-CB 4.43Å; I72-Y126 WeakPolarHBondContact CD1-OH 3.39Å
73	T	95.5	Very high	97.6	Very high	125 Å²	125	43.9 Å²	43.9	77%	0.767	24%	0.238	S	C	*	.			trans	-118.1	-15.2	-175.2	58.4	0	0	0	0	113.1	N124	T73-N124 PolarHBondContact N-OD1 3.34Å
74	S	96.4	Very high	97.5	Very high	28 Å²	28	40.2 Å²	40.2	20%	0.196	22%	0.219	C	C	.	.			trans	-117.1	155.7	173.3	-178.6	0	0	0	0	112.2	I72 A76 N124 E354	I72-S74 WeakPolarHBondContact CG2-O 2.99Å; S74-A76 VanDerWaalsContact C-N 3.32Å; S74-A76 WeakPolarHBondContact CB-O 3.22Å; S74-A76 PolarHBondContact OG-N 2.94Å; S74-A76 VanDerWaalsContact OG-N 3.14Å; S74-A76 PolarHBondContact OG-O 2.89Å; S74-N124 PolarHBondContact N-OD1 2.97Å; S74-N124 PolarHBondContact O-ND2 3.38Å; S74-E354 PolarHBondContact OG-OE1 2.89Å
75	Q	96.1	Very high	97.5	Very high	100 Å²	100	39.9 Å²	39.9	47%	0.467	22%	0.218	S	C	.	.	S	Bend	trans	-80.1	-17	173	-62.1	-177.9	96	0	0	112.5	R173 P174 F358	Q75-R173 WeakPolarHBondContact O-CB 3.4Å; Q75-R173 WeakPolarHBondContact O-CG 3.49Å; Q75-P174 WeakPolarHBondContact O-CD 3.32Å; Q75-F358 HydrophobicContact CB-CE1 4.14Å; Q75-F358 HydrophobicContact CB-CE2 4.25Å; Q75-F358 HydrophobicContact CB-CZ 3.57Å
76	A	98.4	Very high	97.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-109.4	162.2	171.9	0	0	0	0	0	111.3	S74 G123 N124 P174 I206 E354 F358	S74-A76 VanDerWaalsContact C-N 3.32Å; S74-A76 WeakPolarHBondContact CB-O 3.22Å; S74-A76 PolarHBondContact OG-N 2.94Å; S74-A76 VanDerWaalsContact OG-N 3.14Å; S74-A76 PolarHBondContact OG-O 2.89Å; A76-G123 CarbonylContact O-C 3.53Å; A76-G123 WeakPolarHBondContact O-CA 3.44Å; A76-N124 PolarHBondContact O-N 3.11Å; A76-N124 PolarHBondContact O-ND2 3.36Å; A76-P174 CarbonylContact C-O 3.43Å; A76-P174 WeakPolarHBondContact CA-O 3.41Å; A76-P174 HydrophobicContact CB-CG 4.32Å; A76-I206 HydrophobicContact CB-CD1 3.69Å; A76-E354 HydrophobicContact CB-CG 4.11Å; A76-E354 WeakPolarHBondContact CB-OE1 3.25Å; A76-F358 HydrophobicContact CB-CE2 4.28Å; A76-F358 HydrophobicContact CB-CZ 4.2Å
77	D	98.7	Very high	97.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	156.9	172.6	-68.3	-18.8	0	0	0	111	N124 Y126 Y165 N170 R173 P174 F175 I176	D77-N124 WeakPolarHBondContact CA-O 3.39Å; D77-N124 PolarHBondContact OD1-ND2 3.17Å; D77-Y126 HydrophobicContact CB-CD2 4.24Å; D77-Y126 HydrophobicContact CB-CE2 4.29Å; D77-Y165 HydrophobicContact CB-CE2 4.3Å; D77-Y165 WeakPolarHBondContact CB-OH 3.45Å; D77-Y165 VanDerWaalsContact CG-OH 3.32Å; D77-Y165 WeakPolarHBondContact OD2-CE2 3.28Å; D77-Y165 PolarHBondContact OD2-OH 3.12Å; D77-N170 PolarHBondContact OD2-ND2 3.13Å; D77-R173 IonicContact OD1-CZ 3.85Å; D77-R173 IonicContact OD1-NE 2.91Å; D77-R173 PolarHBondContact OD1-NE 2.82Å; D77-R173 IonicContact OD1-NH2 3.52Å; D77-R173 PolarHBondContact OD1-NH2 3.14Å; D77-R173 IonicContact OD2-CZ 2.88Å; D77-R173 IonicContact OD2-NE 3.44Å; D77-R173 PolarHBondContact OD2-NE 2.82Å; D77-R173 IonicContact OD2-NH2 2.71Å; D77-R173 PolarHBondContact OD2-NH2 2.87Å; D77-P174 PolarHBondContact N-O 2.78Å; D77-F175 HydrophobicContact CB-CB 4.09Å; D77-F175 CarbonylContact O-C 3.59Å; D77-F175 WeakPolarHBondContact O-CA 3.02Å; D77-I176 PolarHBondContact O-N 3.39Å
78	V	98.9	Very high	96.8	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.4	167.7	175.9	0	0	0	0	107.9	F119 N124 V125 Y126 I176 V178	V78-F119 HydrophobicContact CG1-CB 3.98Å; V78-F119 HydrophobicContact CG2-CB 4.29Å; V78-N124 PolarHBondContact N-O 3.31Å; V78-V125 HydrophobicContact CB-CG2 4.29Å; V78-V125 WeakPolarHBondContact O-CA 3.46Å; V78-Y126 PolarHBondContact O-N 3.44Å; V78-I176 WeakPolarHBondContact CA-O 3.36Å; V78-I176 HydrophobicContact CG2-CB 4.35Å; V78-V178 HydrophobicContact CG1-CG2 3.84Å
79	F	98.9	Very high	96.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	107.9	173	-168.3	-86.5	0	0	0	109.9	W65 L81 Y126 P128 A161 F162 Y165 I176 L177 V178 I190	W65-F79 HydrophobicContact CH2-CE2 4.22Å; W65-F79 HydrophobicContact CZ3-CE2 4.08Å; F79-L81 HydrophobicContact CD1-CG 4.45Å; F79-L81 HydrophobicContact CE1-CD2 3.78Å; F79-L81 HydrophobicContact CE1-CG 4.07Å; F79-Y126 CarbonylContact C-O 3.48Å; F79-Y126 VanDerWaalsContact CA-O 3.32Å; F79-Y126 WeakPolarHBondContact CA-O 3.39Å; F79-P128 HydrophobicContact CE1-CG 4.26Å; F79-P128 HydrophobicContact CE2-CG 4.48Å; F79-P128 HydrophobicContact CZ-CG 3.76Å; F79-A161 HydrophobicContact CZ-CB 4.21Å; F79-F162 HydrophobicContact CB-CE2 4.43Å; F79-F162 AromaticContact CD1-CD2 3.8Å; F79-F162 HydrophobicContact CD1-CD2 3.8Å; F79-F162 HydrophobicContact CD1-CE2 4.27Å; F79-F162 AromaticContact CD2-CD2 3.93Å; F79-F162 HydrophobicContact CD2-CD2 3.93Å; F79-F162 HydrophobicContact CD2-CE2 4.39Å; F79-F162 HydrophobicContact CE1-CB 4.36Å; F79-F162 AromaticContact CE1-CD2 3.77Å; F79-F162 HydrophobicContact CE1-CD2 3.77Å; F79-F162 AromaticContact CE2-CD2 3.91Å; F79-F162 HydrophobicContact CE2-CD2 3.91Å; F79-F162 AromaticContact CG-CD2 3.87Å; F79-F162 HydrophobicContact CG-CD2 3.87Å; F79-F162 HydrophobicContact CG-CE2 4.12Å; F79-F162 HydrophobicContact CZ-CB 4.01Å; F79-F162 AromaticContact CZ-CD2 3.82Å; F79-F162 HydrophobicContact CZ-CD2 3.82Å; F79-F162 HydrophobicContact CZ-CG 4.44Å; F79-Y165 AromaticContact CD2-CD1 3.68Å; F79-Y165 HydrophobicContact CD2-CD1 3.68Å; F79-Y165 HydrophobicContact CD2-CD2 4.3Å; F79-Y165 HydrophobicContact CD2-CE1 4.07Å; F79-Y165 AromaticContact CD2-CG 3.8Å; F79-Y165 HydrophobicContact CD2-CG 3.8Å; F79-Y165 HydrophobicContact CE2-CD1 4.06Å; F79-Y165 AromaticContact CE2-CG 3.97Å; F79-Y165 HydrophobicContact CE2-CG 3.97Å; F79-I176 PolarHBondContact N-O 2.71Å; F79-L177 HydrophobicContact CB-CD2 3.92Å; F79-L177 HydrophobicContact CD1-CD2 4.34Å; F79-L177 HydrophobicContact CG-CD2 4.48Å; F79-V178 PolarHBondContact O-N 2.77Å; F79-I190 HydrophobicContact CD1-CD1 4.35Å; F79-I190 HydrophobicContact CE1-CD1 4.03Å
80	M	98.8	Very high	96	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.015	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	131.2	-172	-170.3	-160.2	178.2	0	0	112.8	L112 Q115 G116 Y126 A127 V178	M80-L112 HydrophobicContact SD-CD1 3.69Å; M80-Q115 HydrophobicContact CE-CB 4.2Å; M80-G116 VanDerWaalsContact CE-N 3.3Å; M80-G116 WeakPolarHBondContact SD-CA 3.2Å; M80-Y126 PolarHBondContact N-O 2.87Å; M80-A127 HydrophobicContact CB-CB 4.24Å; M80-A127 WeakPolarHBondContact O-CA 3.35Å; M80-V178 CarbonylContact C-O 3.41Å; M80-V178 VanDerWaalsContact CA-O 3.3Å; M80-V178 WeakPolarHBondContact CA-O 3.44Å; M80-V178 HydrophobicContact CB-CB 4.46Å; M80-V178 HydrophobicContact CG-CB 4.21Å; M80-V178 HydrophobicContact CG-CG1 4.26Å
81	L	98.9	Very high	95.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	106.5	168.7	-61.4	-178.7	0	0	0	110.2	F79 P128 Y130 V158 V178 G179 H180 G183 M186 L187 I190	F79-L81 HydrophobicContact CD1-CG 4.45Å; F79-L81 HydrophobicContact CE1-CD2 3.78Å; F79-L81 HydrophobicContact CE1-CG 4.07Å; L81-P128 HydrophobicContact CD2-CG 3.64Å; L81-Y130 HydrophobicContact CD2-CD1 4.38Å; L81-Y130 HydrophobicContact CD2-CE1 4.49Å; L81-V158 HydrophobicContact CD1-CB 4.49Å; L81-V158 HydrophobicContact CD1-CG1 3.58Å; L81-V158 HydrophobicContact CD1-CG2 4.06Å; L81-V158 HydrophobicContact CD2-CG1 4.39Å; L81-V158 HydrophobicContact CD2-CG2 4.08Å; L81-V178 PolarHBondContact N-O 3.14Å; L81-G179 VanDerWaalsContact O-CA 3.25Å; L81-G179 WeakPolarHBondContact O-CA 3.48Å; L81-H180 PolarHBondContact O-N 3.11Å; L81-G183 WeakPolarHBondContact O-CA 3.45Å; L81-M186 HydrophobicContact CD1-CB 3.53Å; L81-L187 HydrophobicContact CD1-CD2 3.75Å; L81-L187 HydrophobicContact CD1-CG 4.35Å; L81-L187 HydrophobicContact CG-CD2 4.12Å; L81-I190 HydrophobicContact CD1-CD1 4.25Å
82	Y	98.4	Very high	95.2	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	24%	0.238	C	C	.	.			trans	-67.5	156.9	179.7	63.4	-83.5	0	0	0	112.2	L66 A85 A108 F111 P128 Y129 Y130 Q132	L66-Y82 HydrophobicContact CD2-CD1 3.8Å; L66-Y82 HydrophobicContact CD2-CE1 4.19Å; L66-Y82 HydrophobicContact CD2-CG 4.46Å; Y82-A85 HydrophobicContact CD2-CB 4.07Å; Y82-A85 HydrophobicContact CE2-CB 3.79Å; Y82-A108 HydrophobicContact CD1-CB 4.1Å; Y82-A108 HydrophobicContact CD2-CB 3.66Å; Y82-A108 HydrophobicContact CE1-CB 3.87Å; Y82-A108 HydrophobicContact CE2-CB 3.41Å; Y82-A108 VanDerWaalsContact CE2-CB 3.41Å; Y82-A108 HydrophobicContact CG-CB 4.02Å; Y82-F111 HydrophobicContact CD2-CD2 4.33Å; Y82-P128 WeakPolarHBondContact CE1-O 3.21Å; Y82-Y129 HydrophobicContact CE1-CD1 4.47Å; Y82-Y130 HydrophobicContact CD1-CE1 4.04Å; Y82-Y130 AromaticContact CE1-CD1 3.85Å; Y82-Y130 HydrophobicContact CE1-CD1 3.85Å; Y82-Y130 AromaticContact CE1-CE1 3.73Å; Y82-Y130 HydrophobicContact CE1-CE1 3.73Å; Y82-Y130 HydrophobicContact CE2-CE1 4.37Å; Y82-Y130 HydrophobicContact CG-CE1 4.47Å; Y82-Y130 AromaticContact CZ-CE1 3.89Å; Y82-Y130 PolarHBondContact O-OH 2.91Å; Y82-Q132 VanDerWaalsContact CE2-CD 3.45Å
83	P	98	Very high	94.9	Very high	6 Å²	6	42.8 Å²	42.8	4%	0.039	23%	0.226	C	C	.	.			trans	-70.3	-179.1	178	31.8	-37.4	0	0	0	111.9	A85 F111 Q132 H180	P83-A85 PolarHBondContact O-N 3.16Å; P83-F111 HydrophobicContact CG-CD1 3.65Å; P83-F111 HydrophobicContact CG-CD2 3.89Å; P83-F111 HydrophobicContact CG-CE1 3.68Å; P83-F111 HydrophobicContact CG-CE2 3.91Å; P83-F111 HydrophobicContact CG-CG 3.77Å; P83-F111 HydrophobicContact CG-CZ 3.81Å; P83-Q132 PolarHBondContact O-NE2 3.03Å; P83-H180 WeakPolarHBondContact CA-O 3.35Å; P83-H180 HydrophobicContact CB-CB 4.19Å; P83-H180 WeakPolarHBondContact CB-O 3.47Å; P83-H180 HydrophobicContact CG-CB 4.35Å
84	T	96.9	Very high	94.8	Very high	29 Å²	29	39.2 Å²	39.2	18%	0.178	21%	0.206	C	C	.	.			trans	-57.5	115.2	177.9	-55.7	0	0	0	0	111.6	Y86 L133 A135 Q182	T84-Y86 VanDerWaalsContact CG2-O 3.32Å; T84-Y86 WeakPolarHBondContact CG2-O 3.31Å; T84-L133 WeakPolarHBondContact CG2-O 3.43Å; T84-A135 HydrophobicContact CG2-CB 4.05Å; T84-Q182 PolarHBondContact OG1-NE2 2.83Å
85	A	97.1	Very high	94.8	Very high	5 Å²	5	38.1 Å²	38.1	4%	0.041	20%	0.198	C	C	.	.			trans	-106.8	-8.6	172	0	0	0	0	0	112.5	Y82 P83 M104 F111	Y82-A85 HydrophobicContact CD2-CB 4.07Å; Y82-A85 HydrophobicContact CE2-CB 3.79Å; P83-A85 PolarHBondContact O-N 3.16Å; A85-M104 HydrophobicContact CB-CG 4.18Å; A85-M104 WeakPolarHBondContact CB-O 3.35Å; A85-F111 HydrophobicContact CB-CD2 4.11Å; A85-F111 HydrophobicContact CB-CE2 3.9Å
86	Y	96.7	Very high	94.8	Very high	21 Å²	21	34.1 Å²	34.1	8%	0.082	18%	0.18	C	C	.	.			trans	-89.6	135	177.4	179.4	-117.3	0	0	0	112.5	T84 Q88 S94 A97 D134	T84-Y86 VanDerWaalsContact CG2-O 3.32Å; T84-Y86 WeakPolarHBondContact CG2-O 3.31Å; Y86-Q88 HydrophobicContact CE1-CG 4.02Å; Y86-S94 PolarHBondContact OH-O 3.2Å; Y86-A97 HydrophobicContact CD1-CB 3.86Å; Y86-A97 HydrophobicContact CD2-CB 3.64Å; Y86-A97 HydrophobicContact CE1-CB 4.33Å; Y86-A97 HydrophobicContact CE2-CB 4.14Å; Y86-A97 HydrophobicContact CG-CB 3.5Å; Y86-D134 HydrophobicContact CD1-CB 4.02Å; Y86-D134 HydrophobicContact CE1-CB 4.12Å
87	A	93	Very high	94.7	Very high	36 Å²	36	34.3 Å²	34.3	30%	0.298	18%	0.182	S	C	.	.			trans	-128.3	133.4	167.4	0	0	0	0	0	110.6	D134	A87-D134 VanDerWaalsContact CA-OD2 3.24Å; A87-D134 WeakPolarHBondContact CA-OD2 3.08Å
88	Q	91.7	Very high	94.6	Very high	31 Å²	31	41.6 Å²	41.6	15%	0.145	21%	0.213	C	C	.	.			trans	-61.9	138	169.3	-76.7	175.6	-61.2	0	0	110.3	Y86 N90 S93 S94 P95 D134	Y86-Q88 HydrophobicContact CE1-CG 4.02Å; Q88-N90 VanDerWaalsContact C-N 3.3Å; Q88-N90 PolarHBondContact O-N 3.19Å; Q88-S93 PolarHBondContact NE2-O 3.47Å; Q88-S94 WeakPolarHBondContact CG-O 3.31Å; Q88-P95 VanDerWaalsContact CD-CA 3.47Å; Q88-P95 VanDerWaalsContact NE2-N 3.19Å; Q88-D134 HydrophobicContact CG-CB 3.88Å; Q88-D134 PolarHBondContact N-OD2 2.63Å
89	K	89.1	Confident	94.6	Very high	175 Å²	175	42.9 Å²	42.9	76%	0.761	22%	0.22	S	C	*	.	S	Bend	trans	-67.3	-35.6	174.4	-65	-176.3	178	-175.9	0	111.9
90	N	88.5	Confident	94.5	Very high	85 Å²	85	47.4 Å²	47.4	46%	0.455	24%	0.244	S	C	.	.	S	Bend	trans	-162.8	173.3	177.2	55.1	50.8	0	0	0	109.6	Q88 N92 S93	Q88-N90 VanDerWaalsContact C-N 3.3Å; Q88-N90 PolarHBondContact O-N 3.19Å; N90-N92 PolarHBondContact O-N 3.08Å; N90-N92 VanDerWaalsContact O-N 3.07Å; N90-N92 WeakPolarHBondContact OD1-CA 3.46Å; N90-N92 WeakPolarHBondContact OD1-CB 3.27Å; N90-N92 PolarHBondContact OD1-N 2.99Å; N90-S93 PolarHBondContact N-OG 2.84Å; N90-S93 VanDerWaalsContact O-CB 3.28Å; N90-S93 WeakPolarHBondContact O-CB 3.47Å; N90-S93 PolarHBondContact O-N 2.85Å; N90-S93 PolarHBondContact O-OG 2.99Å; N90-S93 PolarHBondContact OD1-N 3.05Å; N90-S93 VanDerWaalsContact OD1-N 3.13Å; N90-S93 PolarHBondContact OD1-OG 3.05Å; N90-S93 VanDerWaalsContact OD1-OG 3.14Å
91	E	84.2	Confident	94.4	Very high	163 Å²	163	48.8 Å²	48.8	76%	0.762	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.1	179.5	62.8	-176	179.4	0	0	115.1
92	N	87	Confident	94.3	Very high	63 Å²	63	53.5 Å²	53.5	34%	0.337	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-3.4	177.8	-61.9	-51.5	0	0	0	113	I41 A44 N90	I41-N92 HydrophobicContact CG2-CB 4.4Å; A44-N92 WeakPolarHBondContact CB-O 3.25Å; N90-N92 PolarHBondContact O-N 3.08Å; N90-N92 VanDerWaalsContact O-N 3.07Å; N90-N92 WeakPolarHBondContact OD1-CA 3.46Å; N90-N92 WeakPolarHBondContact OD1-CB 3.27Å; N90-N92 PolarHBondContact OD1-N 2.99Å
93	S	91.4	Very high	94.1	Very high	26 Å²	26	56.9 Å²	56.9	18%	0.182	30%	0.303	C	S	.	.	S	Bend	trans	-81	153.1	173.5	-58.3	0	0	0	0	110.2	A44 Q88 N90	A44-S93 WeakPolarHBondContact CB-O 3.37Å; Q88-S93 PolarHBondContact NE2-O 3.47Å; N90-S93 PolarHBondContact N-OG 2.84Å; N90-S93 VanDerWaalsContact O-CB 3.28Å; N90-S93 WeakPolarHBondContact O-CB 3.47Å; N90-S93 PolarHBondContact O-N 2.85Å; N90-S93 PolarHBondContact O-OG 2.99Å; N90-S93 PolarHBondContact OD1-N 3.05Å; N90-S93 VanDerWaalsContact OD1-N 3.13Å; N90-S93 PolarHBondContact OD1-OG 3.05Å; N90-S93 VanDerWaalsContact OD1-OG 3.14Å
94	S	94.2	Very high	94.1	Very high	50 Å²	50	56.6 Å²	56.6	35%	0.35	30%	0.301	S	S	.	.			trans	-57.2	132.9	172.4	173.5	0	0	0	0	110.7	Y86 Q88 V96	Y86-S94 PolarHBondContact OH-O 3.2Å; Q88-S94 WeakPolarHBondContact CG-O 3.31Å; S94-V96 WeakPolarHBondContact CB-O 3.43Å; S94-V96 PolarHBondContact O-N 3.29Å; S94-V96 VanDerWaalsContact OG-CG1 3.29Å; S94-V96 WeakPolarHBondContact OG-CG1 3.34Å; S94-V96 PolarHBondContact OG-N 3.21Å; S94-V96 PolarHBondContact OG-O 3.47Å
95	P	95	Very high	94.2	Very high	4 Å²	4	57.8 Å²	57.8	3%	0.026	30%	0.302	C	S	.	.	S	Bend	trans	-76.5	-7.8	174.7	28.1	-29.7	0	0	0	113.2	P47 Q88 L133 D134 W137	P47-P95 HydrophobicContact CG-CB 4.44Å; P47-P95 HydrophobicContact CG-CG 3.59Å; Q88-P95 VanDerWaalsContact CD-CA 3.47Å; Q88-P95 VanDerWaalsContact NE2-N 3.19Å; P95-L133 CarbonylContact O-C 3.56Å; P95-L133 WeakPolarHBondContact O-CA 3.37Å; P95-D134 PolarHBondContact O-N 3.18Å; P95-W137 HydrophobicContact CB-CB 4.11Å; P95-W137 HydrophobicContact CB-CD2 3.3Å; P95-W137 HydrophobicContact CB-CE3 3.6Å; P95-W137 HydrophobicContact CB-CG 3.54Å; P95-W137 HydrophobicContact CB-CH2 4.41Å; P95-W137 HydrophobicContact CB-CZ2 4.19Å; P95-W137 HydrophobicContact CB-CZ3 4.16Å; P95-W137 HydrophobicContact CG-CD2 3.85Å; P95-W137 HydrophobicContact CG-CE3 4.21Å; P95-W137 HydrophobicContact CG-CG 4.34Å; P95-W137 HydrophobicContact CG-CH2 4.14Å; P95-W137 HydrophobicContact CG-CZ2 3.78Å; P95-W137 HydrophobicContact CG-CZ3 4.36Å
96	V	96.7	Very high	94.2	Very high	17 Å²	17	60 Å²	60	10%	0.103	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-104.8	132.7	168.8	64.8	0	0	0	0	110.8	P47 S94 R131 Q132 L133 V153	P47-V96 HydrophobicContact CB-CB 4.09Å; P47-V96 HydrophobicContact CB-CG1 3.96Å; P47-V96 HydrophobicContact CG-CB 4.03Å; P47-V96 HydrophobicContact CG-CG1 4.07Å; S94-V96 WeakPolarHBondContact CB-O 3.43Å; S94-V96 PolarHBondContact O-N 3.29Å; S94-V96 VanDerWaalsContact OG-CG1 3.29Å; S94-V96 WeakPolarHBondContact OG-CG1 3.34Å; S94-V96 PolarHBondContact OG-N 3.21Å; S94-V96 PolarHBondContact OG-O 3.47Å; V96-R131 HydrophobicContact CG2-CB 4.04Å; V96-Q132 CarbonylContact C-O 3.46Å; V96-Q132 WeakPolarHBondContact CA-O 3.46Å; V96-L133 HydrophobicContact CB-CD2 4.02Å; V96-L133 HydrophobicContact CG2-CD2 4.42Å; V96-V153 HydrophobicContact CG2-CB 4.11Å; V96-V153 HydrophobicContact CG2-CG1 3.65Å
97	A	96.6	Very high	94.2	Very high	3 Å²	3	59 Å²	59	3%	0.025	32%	0.317	C	S	.	.			trans	-66.4	152.6	176.5	0	0	0	0	0	111.4	Y86 N101 M104 R131 Q132	Y86-A97 HydrophobicContact CD1-CB 3.86Å; Y86-A97 HydrophobicContact CD2-CB 3.64Å; Y86-A97 HydrophobicContact CE1-CB 4.33Å; Y86-A97 HydrophobicContact CE2-CB 4.14Å; Y86-A97 HydrophobicContact CG-CB 3.5Å; A97-N101 HydrophobicContact CB-CB 4.43Å; A97-M104 HydrophobicContact CB-SD 3.48Å; A97-M104 WeakPolarHBondContact CB-SD 3.38Å; A97-R131 VanDerWaalsContact O-CG 3.3Å; A97-R131 WeakPolarHBondContact O-CG 3.49Å; A97-Q132 PolarHBondContact N-O 3.15Å
98	K	96.7	Very high	94.4	Very high	154 Å²	154	57.3 Å²	57.3	67%	0.67	30%	0.303	S	S	*	.			trans	-76.5	150.3	155.7	-61.8	-174.8	177.7	-174.9	0	109.2	D100 N101	K98-D100 WeakPolarHBondContact CB-OD1 3.5Å; K98-D100 PolarHBondContact O-N 3.04Å; K98-N101 VanDerWaalsContact O-CB 3.23Å; K98-N101 WeakPolarHBondContact O-CB 2.92Å; K98-N101 PolarHBondContact O-N 2.82Å
99	I	97.9	Very high	94.7	Very high	29 Å²	29	60.1 Å²	60.1	15%	0.149	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.9	179.9	-164.5	65	0	0	0	113	S57 N64 M104 R105 Y129 R131	S57-I99 WeakPolarHBondContact OG-CD1 3.42Å; S57-I99 WeakPolarHBondContact OG-CG1 3.32Å; N64-I99 WeakPolarHBondContact OD1-CG1 3.45Å; I99-M104 WeakPolarHBondContact O-CE 3.47Å; I99-R105 PolarHBondContact O-NE 3.28Å; I99-R105 PolarHBondContact O-NH2 3.17Å; I99-Y129 WeakPolarHBondContact CD1-O 3.26Å; I99-R131 HydrophobicContact CB-CG 4.12Å; I99-R131 HydrophobicContact CD1-CG 4.34Å
100	D	97.1	Very high	95.1	Very high	95 Å²	95	53 Å²	53	51%	0.508	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	10.9	179	67.5	-14.4	0	0	0	113.5	K98 P102	K98-D100 WeakPolarHBondContact CB-OD1 3.5Å; K98-D100 PolarHBondContact O-N 3.04Å; D100-P102 WeakPolarHBondContact O-CD 3.38Å; D100-P102 VanDerWaalsContact O-N 3.12Å
101	N	97.5	Very high	95.5	Very high	32 Å²	32	50.2 Å²	50.2	17%	0.171	27%	0.271	C	S	.	.			trans	-59.2	119	-178.6	179.9	-80.5	0	0	0	110.6	A97 K98 T103 M104 R105	A97-N101 HydrophobicContact CB-CB 4.43Å; K98-N101 VanDerWaalsContact O-CB 3.23Å; K98-N101 WeakPolarHBondContact O-CB 2.92Å; K98-N101 PolarHBondContact O-N 2.82Å; N101-T103 PolarHBondContact O-N 3.42Å; N101-T103 PolarHBondContact OD1-N 3.01Å; N101-M104 HydrophobicContact CB-CB 3.93Å; N101-M104 PolarHBondContact O-N 2.83Å; N101-M104 PolarHBondContact OD1-N 3.02Å; N101-R105 WeakPolarHBondContact O-CG 3.43Å; N101-R105 PolarHBondContact O-N 3.46Å
102	P	96.3	Very high	96.2	Very high	99 Å²	99	43.6 Å²	43.6	64%	0.643	24%	0.241	S	C	*	.	H	α-helix	trans	-67.2	-34.8	-169.7	23.7	-34	0	0	0	113.1	D100 R105 A106	D100-P102 WeakPolarHBondContact O-CD 3.38Å; D100-P102 VanDerWaalsContact O-N 3.12Å; P102-R105 PolarHBondContact O-N 2.92Å; P102-A106 WeakPolarHBondContact O-CB 3.21Å; P102-A106 PolarHBondContact O-N 3.4Å
103	T	95.1	Very high	96.7	Very high	72 Å²	72	43.6 Å²	43.6	44%	0.442	25%	0.249	S	C	.	.	H	α-helix	trans	-70.1	-43.5	178	-54.5	0	0	0	0	111.2	N101 R105 A106 G107	N101-T103 PolarHBondContact O-N 3.42Å; N101-T103 PolarHBondContact OD1-N 3.01Å; T103-R105 VanDerWaalsContact C-N 3.32Å; T103-R105 PolarHBondContact O-N 3.13Å; T103-A106 PolarHBondContact O-N 3.39Å; T103-G107 PolarHBondContact O-N 2.93Å
104	M	97.7	Very high	96.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.6	-45.8	173.1	-176.4	-170.1	75.4	0	0	110.7	A85 A97 I99 N101 G107 A108 Q132	A85-M104 HydrophobicContact CB-CG 4.18Å; A85-M104 WeakPolarHBondContact CB-O 3.35Å; A97-M104 HydrophobicContact CB-SD 3.48Å; A97-M104 WeakPolarHBondContact CB-SD 3.38Å; I99-M104 WeakPolarHBondContact O-CE 3.47Å; N101-M104 HydrophobicContact CB-CB 3.93Å; N101-M104 PolarHBondContact O-N 2.83Å; N101-M104 PolarHBondContact OD1-N 3.02Å; M104-G107 PolarHBondContact O-N 3.44Å; M104-A108 WeakPolarHBondContact O-CB 3.48Å; M104-A108 PolarHBondContact O-N 2.92Å; M104-Q132 HydrophobicContact SD-CB 4.21Å; M104-Q132 HydrophobicContact SD-CG 4.06Å
105	R	98.2	Very high	97.1	Very high	54 Å²	54	40.9 Å²	40.9	20%	0.204	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-43.6	179.4	-70.9	-168.8	170.6	-160.4	-4.8	112.6	D63 I99 N101 P102 T103 G107 A108 Q109 Y129	D63-R105 VanDerWaalsContact O-CZ 3.26Å; D63-R105 PolarHBondContact O-NH1 2.96Å; D63-R105 PolarHBondContact O-NH2 3.15Å; I99-R105 PolarHBondContact O-NE 3.28Å; I99-R105 PolarHBondContact O-NH2 3.17Å; N101-R105 WeakPolarHBondContact O-CG 3.43Å; N101-R105 PolarHBondContact O-N 3.46Å; P102-R105 PolarHBondContact O-N 2.92Å; T103-R105 VanDerWaalsContact C-N 3.32Å; T103-R105 PolarHBondContact O-N 3.13Å; R105-G107 VanDerWaalsContact C-N 3.32Å; R105-G107 PolarHBondContact O-N 3.25Å; R105-A108 PolarHBondContact O-N 3.01Å; R105-Q109 WeakPolarHBondContact O-CG 3.18Å; R105-Q109 PolarHBondContact O-N 2.64Å; R105-Q109 VanDerWaalsContact O-N 3.13Å; R105-Y129 HydrophobicContact CB-CE1 3.87Å; R105-Y129 HydrophobicContact CG-CD1 3.94Å; R105-Y129 HydrophobicContact CG-CE1 3.6Å; R105-Y129 HydrophobicContact CG-CE2 4.25Å; R105-Y129 HydrophobicContact CG-CG 4.42Å
106	A	97.3	Very high	97.2	Very high	52 Å²	52	40.9 Å²	40.9	43%	0.43	23%	0.229	S	C	.	.	H	α-helix	trans	-63.5	-39	174.6	0	0	0	0	0	112	P102 T103 Q109 V110	P102-A106 WeakPolarHBondContact O-CB 3.21Å; P102-A106 PolarHBondContact O-N 3.4Å; T103-A106 PolarHBondContact O-N 3.39Å; A106-Q109 PolarHBondContact O-N 3.43Å; A106-V110 PolarHBondContact O-N 2.81Å
107	G	96	Very high	97.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-46.8	174.5	0	0	0	0	0	113.6	G17 T103 M104 R105 Q109 V110 F111	G17-G107 VanDerWaalsContact CA-CA 3.45Å; T103-G107 PolarHBondContact O-N 2.93Å; M104-G107 PolarHBondContact O-N 3.44Å; R105-G107 VanDerWaalsContact C-N 3.32Å; R105-G107 PolarHBondContact O-N 3.25Å; G107-Q109 VanDerWaalsContact C-N 3.31Å; G107-Q109 PolarHBondContact O-N 2.67Å; G107-V110 WeakPolarHBondContact O-CB 3.08Å; G107-V110 PolarHBondContact O-N 3.33Å; G107-V110 VanDerWaalsContact O-N 3.13Å; G107-F111 WeakPolarHBondContact O-CD2 3.47Å; G107-F111 PolarHBondContact O-N 3.42Å
108	A	98.4	Very high	97.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-40.6	177.1	0	0	0	0	0	112.4	L66 Y82 M104 R105 V110 F111 L112 Y129	L66-A108 HydrophobicContact CD1-CB 3.86Å; L66-A108 HydrophobicContact CD2-CB 3.91Å; L66-A108 HydrophobicContact CG-CB 4.49Å; Y82-A108 HydrophobicContact CD1-CB 4.1Å; Y82-A108 HydrophobicContact CD2-CB 3.66Å; Y82-A108 HydrophobicContact CE1-CB 3.87Å; Y82-A108 HydrophobicContact CE2-CB 3.41Å; Y82-A108 VanDerWaalsContact CE2-CB 3.41Å; Y82-A108 HydrophobicContact CG-CB 4.02Å; M104-A108 WeakPolarHBondContact O-CB 3.48Å; M104-A108 PolarHBondContact O-N 2.92Å; R105-A108 PolarHBondContact O-N 3.01Å; A108-V110 VanDerWaalsContact C-N 3.33Å; A108-V110 PolarHBondContact O-N 2.84Å; A108-F111 PolarHBondContact O-N 3.3Å; A108-L112 PolarHBondContact O-N 3.34Å; A108-Y129 HydrophobicContact CB-CD1 4.23Å; A108-Y129 HydrophobicContact CB-CE1 3.79Å
109	Q	98	Very high	97.5	Very high	89 Å²	89	33.3 Å²	33.3	42%	0.416	20%	0.196	S	C	.	.	H	α-helix	trans	-60.9	-41	175.3	-70.2	-70	-15.7	0	0	112.1	L66 R105 A106 G107 L112 A113 Y129	L66-Q109 VanDerWaalsContact CD1-CD 3.41Å; L66-Q109 HydrophobicContact CD1-CG 3.81Å; R105-Q109 WeakPolarHBondContact O-CG 3.18Å; R105-Q109 PolarHBondContact O-N 2.64Å; R105-Q109 VanDerWaalsContact O-N 3.13Å; A106-Q109 PolarHBondContact O-N 3.43Å; G107-Q109 VanDerWaalsContact C-N 3.31Å; G107-Q109 PolarHBondContact O-N 2.67Å; Q109-L112 PolarHBondContact O-N 2.9Å; Q109-A113 WeakPolarHBondContact O-CB 3.35Å; Q109-A113 PolarHBondContact O-N 3.27Å; Q109-Y129 PolarHBondContact NE2-OH 3.27Å
110	V	96.4	Very high	97.4	Very high	25 Å²	25	36 Å²	36	15%	0.152	21%	0.211	C	C	.	.	H	α-helix	trans	-64.8	-42.8	174.6	174.7	0	0	0	0	111.1	A106 G107 A108 A113 T114	A106-V110 PolarHBondContact O-N 2.81Å; G107-V110 WeakPolarHBondContact O-CB 3.08Å; G107-V110 PolarHBondContact O-N 3.33Å; G107-V110 VanDerWaalsContact O-N 3.13Å; A108-V110 VanDerWaalsContact C-N 3.33Å; A108-V110 PolarHBondContact O-N 2.84Å; V110-A113 PolarHBondContact O-N 3Å; V110-T114 HydrophobicContact CG1-CG2 4.34Å; V110-T114 WeakPolarHBondContact O-CB 3.03Å; V110-T114 WeakPolarHBondContact O-CG2 3.48Å; V110-T114 PolarHBondContact O-N 2.76Å; V110-T114 PolarHBondContact O-OG1 2.88Å
111	F	98.1	Very high	97.4	Very high	27 Å²	27	35 Å²	35	12%	0.118	21%	0.208	C	C	.	.	H	α-helix	trans	-66.2	-37.8	177.9	-70.6	-55.4	0	0	0	112.9	Y82 P83 A85 G107 A108 T114 Q115 G116	Y82-F111 HydrophobicContact CD2-CD2 4.33Å; P83-F111 HydrophobicContact CG-CD1 3.65Å; P83-F111 HydrophobicContact CG-CD2 3.89Å; P83-F111 HydrophobicContact CG-CE1 3.68Å; P83-F111 HydrophobicContact CG-CE2 3.91Å; P83-F111 HydrophobicContact CG-CG 3.77Å; P83-F111 HydrophobicContact CG-CZ 3.81Å; A85-F111 HydrophobicContact CB-CD2 4.11Å; A85-F111 HydrophobicContact CB-CE2 3.9Å; G107-F111 WeakPolarHBondContact O-CD2 3.47Å; G107-F111 PolarHBondContact O-N 3.42Å; A108-F111 PolarHBondContact O-N 3.3Å; F111-T114 PolarHBondContact O-N 2.88Å; F111-Q115 HydrophobicContact CD1-CG 4.45Å; F111-Q115 WeakPolarHBondContact O-CA 3.37Å; F111-Q115 WeakPolarHBondContact O-CB 3.24Å; F111-Q115 PolarHBondContact O-N 3.37Å; F111-G116 PolarHBondContact O-N 3.37Å; F111-G116 VanDerWaalsContact O-N 3.07Å
112	L	98.1	Very high	97.4	Very high	25 Å²	25	33.4 Å²	33.4	13%	0.131	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-49.9	172.9	-179.4	65.2	0	0	0	110.7	L66 A67 M80 A108 Q109 T114 G116 S117 V125	L66-L112 HydrophobicContact CD2-CB 4.03Å; L66-L112 HydrophobicContact CD2-CD2 4.37Å; L66-L112 HydrophobicContact CG-CD2 4.09Å; A67-L112 HydrophobicContact CB-CD2 3.8Å; M80-L112 HydrophobicContact SD-CD1 3.69Å; A108-L112 PolarHBondContact O-N 3.34Å; Q109-L112 PolarHBondContact O-N 2.9Å; L112-T114 PolarHBondContact O-N 3.37Å; L112-G116 CarbonylContact O-C 3.5Å; L112-G116 VanDerWaalsContact O-CA 3.29Å; L112-G116 WeakPolarHBondContact O-CA 3.39Å; L112-G116 PolarHBondContact O-N 3.24Å; L112-G116 VanDerWaalsContact O-N 3.16Å; L112-S117 PolarHBondContact O-N 2.71Å; L112-V125 HydrophobicContact CD1-CG1 4.05Å
113	A	97	Very high	97.5	Very high	62 Å²	62	29.1 Å²	29.1	51%	0.512	17%	0.173	S	C	.	.	H	α-helix	trans	-66.8	-18.3	-178.2	0	0	0	0	0	114.7	Q109 V110 S117	Q109-A113 WeakPolarHBondContact O-CB 3.35Å; Q109-A113 PolarHBondContact O-N 3.27Å; V110-A113 PolarHBondContact O-N 3Å; A113-S117 VanDerWaalsContact C-OG 3.28Å; A113-S117 PolarHBondContact O-OG 2.96Å
114	T	96.9	Very high	97.7	Very high	9 Å²	9	25.9 Å²	25.9	6%	0.055	15%	0.153	C	C	.	.	H	α-helix	trans	-114.5	-42.7	-174.2	55.9	0	0	0	0	114.2	V110 F111 L112 Y291 Y343	V110-T114 HydrophobicContact CG1-CG2 4.34Å; V110-T114 WeakPolarHBondContact O-CB 3.03Å; V110-T114 WeakPolarHBondContact O-CG2 3.48Å; V110-T114 PolarHBondContact O-N 2.76Å; V110-T114 PolarHBondContact O-OG1 2.88Å; F111-T114 PolarHBondContact O-N 2.88Å; L112-T114 PolarHBondContact O-N 3.37Å; T114-Y291 HydrophobicContact CG2-CD1 3.95Å; T114-Y291 HydrophobicContact CG2-CD2 3.67Å; T114-Y291 HydrophobicContact CG2-CE1 3.81Å; T114-Y291 HydrophobicContact CG2-CE2 3.53Å; T114-Y291 HydrophobicContact CG2-CG 3.88Å; T114-Y343 VanDerWaalsContact O-CE2 3.27Å; T114-Y343 WeakPolarHBondContact O-CE2 2.99Å
115	Q	97.8	Very high	97.7	Very high	11 Å²	11	27 Å²	27	5%	0.051	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-43.8	179.9	-64.2	-179.6	7.4	0	0	111.2	M80 F111 S117 A118 I339	M80-Q115 HydrophobicContact CE-CB 4.2Å; F111-Q115 HydrophobicContact CD1-CG 4.45Å; F111-Q115 WeakPolarHBondContact O-CA 3.37Å; F111-Q115 WeakPolarHBondContact O-CB 3.24Å; F111-Q115 PolarHBondContact O-N 3.37Å; Q115-S117 VanDerWaalsContact C-N 3.32Å; Q115-S117 PolarHBondContact O-N 3.29Å; Q115-A118 PolarHBondContact O-N 3.39Å; Q115-I339 HydrophobicContact CB-CD1 3.76Å; Q115-I339 HydrophobicContact CB-CG2 4.19Å; Q115-I339 HydrophobicContact CG-CB 4.34Å; Q115-I339 HydrophobicContact CG-CD1 4.07Å; Q115-I339 HydrophobicContact CG-CG2 4.36Å
116	G	97.7	Very high	97.7	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.031	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-65.7	-36.7	-179.5	0	0	0	0	0	112.9	M80 F111 L112 A118 F119	M80-G116 VanDerWaalsContact CE-N 3.3Å; M80-G116 WeakPolarHBondContact SD-CA 3.2Å; F111-G116 PolarHBondContact O-N 3.37Å; F111-G116 VanDerWaalsContact O-N 3.07Å; L112-G116 CarbonylContact O-C 3.5Å; L112-G116 VanDerWaalsContact O-CA 3.29Å; L112-G116 WeakPolarHBondContact O-CA 3.39Å; L112-G116 PolarHBondContact O-N 3.24Å; L112-G116 VanDerWaalsContact O-N 3.16Å; G116-A118 PolarHBondContact O-N 3.39Å; G116-F119 PolarHBondContact O-N 2.93Å
117	S	98	Very high	97.8	Very high	15 Å²	15	22.1 Å²	22.1	11%	0.105	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-59.4	-17.5	-179	51.6	0	0	0	0	114.8	L112 A113 Q115 F119 D120 Y343	L112-S117 PolarHBondContact O-N 2.71Å; A113-S117 VanDerWaalsContact C-OG 3.28Å; A113-S117 PolarHBondContact O-OG 2.96Å; Q115-S117 VanDerWaalsContact C-N 3.32Å; Q115-S117 PolarHBondContact O-N 3.29Å; S117-F119 PolarHBondContact O-N 3.34Å; S117-D120 WeakPolarHBondContact CA-OD2 3.35Å; S117-D120 PolarHBondContact O-N 2.77Å; S117-Y343 VanDerWaalsContact CB-OH 3.32Å; S117-Y343 WeakPolarHBondContact CB-OH 2.95Å; S117-Y343 PolarHBondContact O-OH 2.86Å; S117-Y343 PolarHBondContact OG-OH 3.32Å; S117-Y343 VanDerWaalsContact OG-OH 3.06Å
118	A	98.5	Very high	97.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-62.3	-19.6	170.8	0	0	0	0	0	112.6	Q115 G116 Y343 Q347	Q115-A118 PolarHBondContact O-N 3.39Å; G116-A118 PolarHBondContact O-N 3.39Å; A118-Y343 VanDerWaalsContact CA-CZ 3.44Å; A118-Y343 HydrophobicContact CB-CD1 4.31Å; A118-Y343 HydrophobicContact CB-CD2 3.71Å; A118-Y343 HydrophobicContact CB-CE1 4.18Å; A118-Y343 HydrophobicContact CB-CE2 3.61Å; A118-Y343 HydrophobicContact CB-CG 4.08Å; A118-Y343 PolarHBondContact N-OH 3.43Å; A118-Q347 WeakPolarHBondContact O-CA 3.45Å; A118-Q347 WeakPolarHBondContact O-CB 3.09Å; A118-Q347 WeakPolarHBondContact O-CG 2.98Å
119	F	98.6	Very high	97.9	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-114.8	0.1	-173.7	-56.7	-89.3	0	0	0	113.1	V78 G116 S117 T121 S122 V178 Y209 L346 A350	V78-F119 HydrophobicContact CG1-CB 3.98Å; V78-F119 HydrophobicContact CG2-CB 4.29Å; G116-F119 PolarHBondContact O-N 2.93Å; S117-F119 PolarHBondContact O-N 3.34Å; F119-T121 PolarHBondContact O-N 2.98Å; F119-T121 VanDerWaalsContact O-N 3.1Å; F119-S122 PolarHBondContact O-N 2.89Å; F119-V178 HydrophobicContact CB-CG2 4.29Å; F119-V178 HydrophobicContact CD1-CG2 3.63Å; F119-V178 HydrophobicContact CD2-CB 4.4Å; F119-V178 HydrophobicContact CD2-CG1 3.69Å; F119-V178 HydrophobicContact CD2-CG2 3.91Å; F119-V178 HydrophobicContact CE1-CG1 4.45Å; F119-V178 HydrophobicContact CE1-CG2 3.84Å; F119-V178 HydrophobicContact CE2-CB 4.43Å; F119-V178 HydrophobicContact CE2-CG1 3.41Å; F119-V178 VanDerWaalsContact CE2-CG1 3.41Å; F119-V178 HydrophobicContact CE2-CG2 4.11Å; F119-V178 HydrophobicContact CG-CG1 4.33Å; F119-V178 HydrophobicContact CG-CG2 3.67Å; F119-V178 HydrophobicContact CZ-CG1 3.83Å; F119-V178 HydrophobicContact CZ-CG2 4.07Å; F119-Y209 HydrophobicContact CD1-CD2 4.4Å; F119-Y209 HydrophobicContact CD1-CE2 4.43Å; F119-Y209 AromaticContact CE1-CD1 3.99Å; F119-Y209 HydrophobicContact CE1-CD1 3.99Å; F119-Y209 AromaticContact CE1-CD2 3.63Å; F119-Y209 HydrophobicContact CE1-CD2 3.63Å; F119-Y209 HydrophobicContact CE1-CE1 4.14Å; F119-Y209 AromaticContact CE1-CE2 3.81Å; F119-Y209 HydrophobicContact CE1-CE2 3.81Å; F119-Y209 AromaticContact CE1-CG 3.74Å; F119-Y209 HydrophobicContact CE1-CG 3.74Å; F119-Y209 HydrophobicContact CZ-CD1 4.17Å; F119-Y209 HydrophobicContact CZ-CD2 4.32Å; F119-Y209 AromaticContact CZ-CG 3.99Å; F119-Y209 HydrophobicContact CZ-CG 3.99Å; F119-L346 HydrophobicContact CZ-CB 4.14Å; F119-L346 HydrophobicContact CZ-CD1 4.49Å; F119-L346 HydrophobicContact CZ-CD2 4.35Å; F119-A350 HydrophobicContact CD1-CB 3.74Å; F119-A350 HydrophobicContact CE1-CB 4.11Å
120	D	96.4	Very high	98	Very high	86 Å²	86	18.5 Å²	18.5	46%	0.46	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-60.4	-23.5	-178.6	-73.2	-6.1	0	0	0	112.8	S117 S122 V125	S117-D120 WeakPolarHBondContact CA-OD2 3.35Å; S117-D120 PolarHBondContact O-N 2.77Å; D120-S122 VanDerWaalsContact C-N 3.34Å; D120-V125 WeakPolarHBondContact OD1-CG2 3.46Å
121	T	97.6	Very high	98.1	Very high	72 Å²	72	19.6 Å²	19.6	44%	0.442	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-84.2	-6.7	178.1	50.8	0	0	0	0	113.8	F119 Q347 E351	F119-T121 PolarHBondContact O-N 2.98Å; F119-T121 VanDerWaalsContact O-N 3.1Å; T121-Q347 WeakPolarHBondContact OG1-CG 3.2Å; T121-Q347 PolarHBondContact OG1-NE2 3.37Å; T121-Q347 VanDerWaalsContact OG1-NE2 3.16Å; T121-E351 WeakPolarHBondContact CB-OE1 3.31Å; T121-E351 PolarHBondContact OG1-OE1 2.82Å
122	S	97.9	Very high	98.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-111.3	11.1	-173.8	-48.3	0	0	0	0	114.5	F119 D120 A350 E351 E354	F119-S122 PolarHBondContact O-N 2.89Å; D120-S122 VanDerWaalsContact C-N 3.34Å; S122-A350 VanDerWaalsContact OG-CB 3.23Å; S122-A350 WeakPolarHBondContact OG-CB 3.16Å; S122-E351 PolarHBondContact OG-N 3.18Å; S122-E354 VanDerWaalsContact CA-OE2 3.32Å; S122-E354 WeakPolarHBondContact CA-OE2 3.16Å
123	G	97.5	Very high	98.1	Very high	8 Å²	8	17.1 Å²	17.1	8%	0.082	10%	0.103	C	C	.	.	S	Bend	trans	160.2	175.2	176.1	0	0	0	0	0	115.5	A76 V125	A76-G123 CarbonylContact O-C 3.53Å; A76-G123 WeakPolarHBondContact O-CA 3.44Å; G123-V125 PolarHBondContact O-N 3.46Å
124	N	98.5	Very high	98	Very high	5 Å²	5	14.4 Å²	14.4	3%	0.027	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	120.9	171.2	-41.6	-76.9	0	0	0	109.5	P69 I72 T73 S74 A76 D77 V78 Y126	P69-N124 HydrophobicContact CB-CB 4.33Å; P69-N124 HydrophobicContact CG-CB 3.69Å; I72-N124 HydrophobicContact CD1-CB 4.43Å; T73-N124 PolarHBondContact N-OD1 3.34Å; S74-N124 PolarHBondContact N-OD1 2.97Å; S74-N124 PolarHBondContact O-ND2 3.38Å; A76-N124 PolarHBondContact O-N 3.11Å; A76-N124 PolarHBondContact O-ND2 3.36Å; D77-N124 WeakPolarHBondContact CA-O 3.39Å; D77-N124 PolarHBondContact OD1-ND2 3.17Å; V78-N124 PolarHBondContact N-O 3.31Å; N124-Y126 HydrophobicContact CB-CE2 4.07Å; N124-Y126 VanDerWaalsContact O-CD2 3.31Å; N124-Y126 WeakPolarHBondContact O-CD2 3.37Å; N124-Y126 PolarHBondContact O-N 3.05Å
125	V	98.5	Very high	97.9	Very high	23 Å²	23	15.4 Å²	15.4	14%	0.139	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	117.1	-171	-176.4	0	0	0	0	112.3	A67 P69 V78 L112 D120 G123	A67-V125 HydrophobicContact CB-CG1 4.3Å; P69-V125 VanDerWaalsContact CD-O 3.3Å; P69-V125 WeakPolarHBondContact CD-O 3.22Å; P69-V125 WeakPolarHBondContact CG-O 3.43Å; V78-V125 HydrophobicContact CB-CG2 4.29Å; V78-V125 WeakPolarHBondContact O-CA 3.46Å; L112-V125 HydrophobicContact CD1-CG1 4.05Å; D120-V125 WeakPolarHBondContact OD1-CG2 3.46Å; G123-V125 PolarHBondContact O-N 3.46Å
126	Y	98.8	Very high	97.6	Very high	3 Å²	3	18.5 Å²	18.5	1%	0.012	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.7	169.3	-66.3	-95.2	0	0	0	109.2	W65 A67 K68 P69 I72 D77 V78 F79 M80 N124 Y165 E169 R173	W65-Y126 HydrophobicContact CZ3-CD1 4.47Å; A67-Y126 WeakPolarHBondContact O-CA 3.43Å; K68-Y126 HydrophobicContact CG-CD1 4.3Å; K68-Y126 HydrophobicContact CG-CE1 4.12Å; P69-Y126 VanDerWaalsContact CD-CE1 3.44Å; P69-Y126 HydrophobicContact CG-CD2 4.24Å; P69-Y126 HydrophobicContact CG-CE1 4.28Å; P69-Y126 HydrophobicContact CG-CE2 3.81Å; I72-Y126 WeakPolarHBondContact CD1-OH 3.39Å; D77-Y126 HydrophobicContact CB-CD2 4.24Å; D77-Y126 HydrophobicContact CB-CE2 4.29Å; V78-Y126 PolarHBondContact O-N 3.44Å; F79-Y126 CarbonylContact C-O 3.48Å; F79-Y126 VanDerWaalsContact CA-O 3.32Å; F79-Y126 WeakPolarHBondContact CA-O 3.39Å; M80-Y126 PolarHBondContact N-O 2.87Å; N124-Y126 HydrophobicContact CB-CE2 4.07Å; N124-Y126 VanDerWaalsContact O-CD2 3.31Å; N124-Y126 WeakPolarHBondContact O-CD2 3.37Å; N124-Y126 PolarHBondContact O-N 3.05Å; Y126-Y165 AromaticContact CD1-CD2 3.88Å; Y126-Y165 HydrophobicContact CD1-CD2 3.88Å; Y126-Y165 HydrophobicContact CD1-CE2 4.23Å; Y126-Y165 HydrophobicContact CD2-CD2 4.05Å; Y126-Y165 AromaticContact CD2-CE2 3.56Å; Y126-Y165 HydrophobicContact CD2-CE2 3.56Å; Y126-Y165 HydrophobicContact CE1-CD2 4.23Å; Y126-Y165 HydrophobicContact CE1-CE2 4.45Å; Y126-Y165 HydrophobicContact CE2-CD2 4.39Å; Y126-Y165 AromaticContact CE2-CE2 3.82Å; Y126-Y165 HydrophobicContact CE2-CE2 3.82Å; Y126-Y165 AromaticContact CG-CD2 3.78Å; Y126-Y165 HydrophobicContact CG-CD2 3.78Å; Y126-Y165 AromaticContact CG-CE2 3.78Å; Y126-Y165 HydrophobicContact CG-CE2 3.78Å; Y126-E169 HydrophobicContact CD1-CB 4.4Å; Y126-E169 HydrophobicContact CE1-CB 3.64Å; Y126-E169 HydrophobicContact CE1-CG 4.15Å; Y126-R173 PolarHBondContact OH-NH2 2.91Å
127	A	98.8	Very high	97.3	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	116.5	175.1	0	0	0	0	0	109	W65 L66 A67 M80	W65-A127 CarbonylContact C-O 3.55Å; L66-A127 WeakPolarHBondContact CA-O 3.42Å; L66-A127 HydrophobicContact CB-CB 4.07Å; L66-A127 VanDerWaalsContact CB-O 3.3Å; L66-A127 WeakPolarHBondContact CB-O 3.42Å; L66-A127 HydrophobicContact CD2-CB 3.93Å; L66-A127 HydrophobicContact CG-CB 4.22Å; L66-A127 PolarHBondContact N-O 2.86Å; A67-A127 HydrophobicContact CB-CB 3.98Å; A67-A127 PolarHBondContact N-O 2.77Å; A67-A127 PolarHBondContact O-N 3.3Å; M80-A127 HydrophobicContact CB-CB 4.24Å; M80-A127 WeakPolarHBondContact O-CA 3.35Å
128	P	98.9	Very high	97.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	147	174.3	32.2	-34.8	0	0	0	111.1	Y59 W65 F79 L81 Y82 A161	Y59-P128 HydrophobicContact CD1-CB 4.16Å; Y59-P128 HydrophobicContact CE1-CB 3.49Å; Y59-P128 VanDerWaalsContact CE1-CB 3.49Å; W65-P128 HydrophobicContact CE3-CB 4.21Å; W65-P128 HydrophobicContact CZ3-CB 4.08Å; F79-P128 HydrophobicContact CE1-CG 4.26Å; F79-P128 HydrophobicContact CE2-CG 4.48Å; F79-P128 HydrophobicContact CZ-CG 3.76Å; L81-P128 HydrophobicContact CD2-CG 3.64Å; Y82-P128 WeakPolarHBondContact CE1-O 3.21Å; P128-A161 HydrophobicContact CB-CB 3.56Å; P128-A161 HydrophobicContact CG-CB 3.71Å
129	Y	98.8	Very high	96.8	Very high	14 Å²	14	21.2 Å²	21.2	6%	0.055	11%	0.112	C	C	.	.			trans	-67.9	141.4	149.9	-67.1	-63.8	0	0	0	107.9	Y59 N64 W65 L66 Y82 I99 R105 A108 Q109	Y59-Y129 VanDerWaalsContact CE1-O 3.28Å; Y59-Y129 WeakPolarHBondContact CE1-O 3.15Å; Y59-Y129 PolarHBondContact OH-O 2.84Å; N64-Y129 PolarHBondContact O-N 3.36Å; W65-Y129 WeakPolarHBondContact O-CE2 3.37Å; L66-Y129 HydrophobicContact CB-CD1 4.09Å; L66-Y129 HydrophobicContact CB-CD2 4.38Å; L66-Y129 HydrophobicContact CB-CE1 3.84Å; L66-Y129 HydrophobicContact CB-CE2 4.17Å; L66-Y129 HydrophobicContact CB-CG 4.35Å; L66-Y129 HydrophobicContact CD1-CE1 3.6Å; L66-Y129 WeakPolarHBondContact CD1-OH 3.27Å; L66-Y129 HydrophobicContact CG-CE1 4.27Å; Y82-Y129 HydrophobicContact CE1-CD1 4.47Å; I99-Y129 WeakPolarHBondContact CD1-O 3.26Å; R105-Y129 HydrophobicContact CB-CE1 3.87Å; R105-Y129 HydrophobicContact CG-CD1 3.94Å; R105-Y129 HydrophobicContact CG-CE1 3.6Å; R105-Y129 HydrophobicContact CG-CE2 4.25Å; R105-Y129 HydrophobicContact CG-CG 4.42Å; A108-Y129 HydrophobicContact CB-CD1 4.23Å; A108-Y129 HydrophobicContact CB-CE1 3.79Å; Q109-Y129 PolarHBondContact NE2-OH 3.27Å
130	Y	98.8	Very high	96.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.139	C	C	.	.			trans	-139.6	148.2	172.8	66.2	-78.1	0	0	0	107.9	L81 Y82 Q132 P154 V158 Q182 G183 M186	L81-Y130 HydrophobicContact CD2-CD1 4.38Å; L81-Y130 HydrophobicContact CD2-CE1 4.49Å; Y82-Y130 HydrophobicContact CD1-CE1 4.04Å; Y82-Y130 AromaticContact CE1-CD1 3.85Å; Y82-Y130 HydrophobicContact CE1-CD1 3.85Å; Y82-Y130 AromaticContact CE1-CE1 3.73Å; Y82-Y130 HydrophobicContact CE1-CE1 3.73Å; Y82-Y130 HydrophobicContact CE2-CE1 4.37Å; Y82-Y130 HydrophobicContact CG-CE1 4.47Å; Y82-Y130 AromaticContact CZ-CE1 3.89Å; Y82-Y130 PolarHBondContact O-OH 2.91Å; Y130-Q132 HydrophobicContact CD2-CG 4.04Å; Y130-Q132 HydrophobicContact CE1-CG 4.29Å; Y130-Q132 HydrophobicContact CE2-CG 3.67Å; Y130-Q132 VanDerWaalsContact CZ-NE2 3.28Å; Y130-Q132 WeakPolarHBondContact O-CG 3.47Å; Y130-Q132 PolarHBondContact O-N 2.63Å; Y130-Q132 VanDerWaalsContact O-N 3.12Å; Y130-Q132 PolarHBondContact OH-NE2 2.87Å; Y130-P154 HydrophobicContact CD2-CB 4.3Å; Y130-P154 HydrophobicContact CE2-CB 4.5Å; Y130-V158 HydrophobicContact CD1-CG2 4.41Å; Y130-V158 HydrophobicContact CD2-CG2 3.83Å; Y130-V158 HydrophobicContact CE2-CG2 4.43Å; Y130-V158 HydrophobicContact CG-CG2 3.81Å; Y130-Q182 HydrophobicContact CE2-CG 4.43Å; Y130-G183 PolarHBondContact OH-N 3.22Å; Y130-M186 HydrophobicContact CE2-CG 4.1Å
131	R	98.6	Very high	96.2	Very high	47 Å²	47	23.6 Å²	23.6	18%	0.177	13%	0.126	C	C	.	.			trans	-66.6	114.8	178.4	-74	175.9	-68.2	169.1	-2.6	110.2	K55 V96 A97 I99 V153 P154 D157	K55-R131 PolarHBondContact O-NH2 2.87Å; V96-R131 HydrophobicContact CG2-CB 4.04Å; A97-R131 VanDerWaalsContact O-CG 3.3Å; A97-R131 WeakPolarHBondContact O-CG 3.49Å; I99-R131 HydrophobicContact CB-CG 4.12Å; I99-R131 HydrophobicContact CD1-CG 4.34Å; R131-V153 HydrophobicContact CB-CG1 3.6Å; R131-V153 HydrophobicContact CG-CG1 4.37Å; R131-P154 WeakPolarHBondContact O-CA 3.44Å; R131-P154 WeakPolarHBondContact O-CB 3.48Å; R131-P154 WeakPolarHBondContact O-CG 3.49Å; R131-D157 WeakPolarHBondContact CB-OD2 3.38Å; R131-D157 WeakPolarHBondContact CG-OD2 3.44Å; R131-D157 IonicContact CZ-OD1 2.67Å; R131-D157 IonicContact CZ-OD2 3.92Å; R131-D157 PolarHBondContact N-OD2 3.05Å; R131-D157 IonicContact NE-OD1 3.41Å; R131-D157 PolarHBondContact NE-OD1 3.5Å; R131-D157 IonicContact NE-OD2 3.81Å; R131-D157 PolarHBondContact NE-OD2 3.32Å; R131-D157 IonicContact NH2-OD1 3.27Å; R131-D157 PolarHBondContact NH2-OD1 2.77Å; R131-D157 IonicContact NH2-OD2 2.9Å
132	Q	98.2	Very high	96	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-94.1	150.9	-176.2	-65.3	-170.1	-44.6	0	0	112.8	Y82 P83 V96 A97 M104 Y130 Q182	Y82-Q132 VanDerWaalsContact CE2-CD 3.45Å; P83-Q132 PolarHBondContact O-NE2 3.03Å; V96-Q132 CarbonylContact C-O 3.46Å; V96-Q132 WeakPolarHBondContact CA-O 3.46Å; A97-Q132 PolarHBondContact N-O 3.15Å; M104-Q132 HydrophobicContact SD-CB 4.21Å; M104-Q132 HydrophobicContact SD-CG 4.06Å; Y130-Q132 HydrophobicContact CD2-CG 4.04Å; Y130-Q132 HydrophobicContact CE1-CG 4.29Å; Y130-Q132 HydrophobicContact CE2-CG 3.67Å; Y130-Q132 VanDerWaalsContact CZ-NE2 3.28Å; Y130-Q132 WeakPolarHBondContact O-CG 3.47Å; Y130-Q132 PolarHBondContact O-N 2.63Å; Y130-Q132 VanDerWaalsContact O-N 3.12Å; Y130-Q132 PolarHBondContact OH-NE2 2.87Å; Q132-Q182 VanDerWaalsContact CA-OE1 3.28Å; Q132-Q182 VanDerWaalsContact CB-OE1 3.28Å
133	L	97.8	Very high	95.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-88.4	138	165.9	-66.3	163.2	0	0	0	109.9	P47 T84 P95 V96 A135 W137 L138 T150 P154 Q182	P47-L133 HydrophobicContact CB-CD2 4.1Å; P47-L133 HydrophobicContact CG-CD2 3.75Å; T84-L133 WeakPolarHBondContact CG2-O 3.43Å; P95-L133 CarbonylContact O-C 3.56Å; P95-L133 WeakPolarHBondContact O-CA 3.37Å; V96-L133 HydrophobicContact CB-CD2 4.02Å; V96-L133 HydrophobicContact CG2-CD2 4.42Å; L133-A135 PolarHBondContact O-N 3.25Å; L133-W137 HydrophobicContact CD2-CZ3 3.95Å; L133-L138 HydrophobicContact CB-CB 4.44Å; L133-L138 HydrophobicContact CB-CD2 4.15Å; L133-L138 HydrophobicContact CD1-CD1 4Å; L133-L138 HydrophobicContact CD1-CD2 4.09Å; L133-T150 HydrophobicContact CD1-CG2 4.09Å; L133-P154 HydrophobicContact CD1-CG 3.74Å; L133-P154 HydrophobicContact CG-CG 3.74Å; L133-Q182 VanDerWaalsContact N-OE1 3.14Å; L133-Q182 PolarHBondContact O-NE2 3.41Å
134	D	95.9	Very high	95.5	Very high	6 Å²	6	32 Å²	32	3%	0.032	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-59.7	126.4	169.7	176.2	-72.2	0	0	0	110.1	Y86 A87 Q88 P95 K136 W137 L138	Y86-D134 HydrophobicContact CD1-CB 4.02Å; Y86-D134 HydrophobicContact CE1-CB 4.12Å; A87-D134 VanDerWaalsContact CA-OD2 3.24Å; A87-D134 WeakPolarHBondContact CA-OD2 3.08Å; Q88-D134 HydrophobicContact CG-CB 3.88Å; Q88-D134 PolarHBondContact N-OD2 2.63Å; P95-D134 PolarHBondContact O-N 3.18Å; D134-K136 WeakPolarHBondContact OD1-CA 3.44Å; D134-K136 VanDerWaalsContact OD1-CB 3.29Å; D134-K136 WeakPolarHBondContact OD1-CB 3.03Å; D134-K136 PolarHBondContact OD1-N 3.4Å; D134-W137 HydrophobicContact CB-CB 4.19Å; D134-W137 PolarHBondContact O-N 2.92Å; D134-W137 PolarHBondContact OD1-N 3.35Å; D134-L138 VanDerWaalsContact O-CB 3.27Å; D134-L138 WeakPolarHBondContact O-CB 3.41Å; D134-L138 PolarHBondContact O-N 2.97Å
135	A	93.7	Very high	95.4	Very high	29 Å²	29	34.9 Å²	34.9	24%	0.24	18%	0.176	C	C	.	.	H	α-helix	trans	-69.2	-35.8	-175.5	0	0	0	0	0	112.7	T84 L133 W137 L138 L139	T84-A135 HydrophobicContact CG2-CB 4.05Å; L133-A135 PolarHBondContact O-N 3.25Å; A135-W137 VanDerWaalsContact C-N 3.29Å; A135-W137 PolarHBondContact O-N 3.43Å; A135-L138 PolarHBondContact O-N 2.98Å; A135-L139 HydrophobicContact CB-CD1 4.39Å; A135-L139 VanDerWaalsContact O-CB 3.25Å; A135-L139 WeakPolarHBondContact O-CB 3.18Å; A135-L139 WeakPolarHBondContact O-CG 3.24Å; A135-L139 PolarHBondContact O-N 2.96Å
136	K	91.5	Very high	95.3	Very high	76 Å²	76	35 Å²	35	33%	0.33	18%	0.175	S	C	.	.	H	α-helix	trans	-64.4	-39.3	177.6	-67.4	178.8	178.1	174.5	0	110.5	Y22 D134 T140 I328	Y22-K136 VanDerWaalsContact CE1-CE 3.43Å; Y22-K136 VanDerWaalsContact CE2-CE 3.44Å; Y22-K136 HydrophobicContact CE2-CG 4.41Å; Y22-K136 WeakPolarHBondContact OH-CE 3.45Å; Y22-K136 WeakPolarHBondContact OH-CG 3.3Å; D134-K136 WeakPolarHBondContact OD1-CA 3.44Å; D134-K136 VanDerWaalsContact OD1-CB 3.29Å; D134-K136 WeakPolarHBondContact OD1-CB 3.03Å; D134-K136 PolarHBondContact OD1-N 3.4Å; K136-T140 WeakPolarHBondContact O-CG2 3.34Å; K136-I328 HydrophobicContact CB-CD1 4.41Å; K136-I328 HydrophobicContact CG-CD1 4.44Å
137	W	92.8	Very high	95.1	Very high	34 Å²	34	36.7 Å²	36.7	13%	0.129	19%	0.189	C	C	.	.	H	α-helix	trans	-73.5	-45.9	177.2	176	91	0	0	0	112.2	P47 P95 L133 D134 A135 T140 K141 Y149	P47-W137 HydrophobicContact CG-CH2 3.99Å; P47-W137 HydrophobicContact CG-CZ3 4.37Å; P95-W137 HydrophobicContact CB-CB 4.11Å; P95-W137 HydrophobicContact CB-CD2 3.3Å; P95-W137 HydrophobicContact CB-CE3 3.6Å; P95-W137 HydrophobicContact CB-CG 3.54Å; P95-W137 HydrophobicContact CB-CH2 4.41Å; P95-W137 HydrophobicContact CB-CZ2 4.19Å; P95-W137 HydrophobicContact CB-CZ3 4.16Å; P95-W137 HydrophobicContact CG-CD2 3.85Å; P95-W137 HydrophobicContact CG-CE3 4.21Å; P95-W137 HydrophobicContact CG-CG 4.34Å; P95-W137 HydrophobicContact CG-CH2 4.14Å; P95-W137 HydrophobicContact CG-CZ2 3.78Å; P95-W137 HydrophobicContact CG-CZ3 4.36Å; L133-W137 HydrophobicContact CD2-CZ3 3.95Å; D134-W137 HydrophobicContact CB-CB 4.19Å; D134-W137 PolarHBondContact O-N 2.92Å; D134-W137 PolarHBondContact OD1-N 3.35Å; A135-W137 VanDerWaalsContact C-N 3.29Å; A135-W137 PolarHBondContact O-N 3.43Å; W137-T140 PolarHBondContact O-OG1 2.89Å; W137-K141 PolarHBondContact O-NZ 3.27Å; W137-Y149 AromaticContact CH2-CD1 3.73Å; W137-Y149 HydrophobicContact CH2-CD1 3.73Å; W137-Y149 AromaticContact CH2-CD2 3.57Å; W137-Y149 HydrophobicContact CH2-CD2 3.57Å; W137-Y149 AromaticContact CH2-CE1 3.65Å; W137-Y149 HydrophobicContact CH2-CE1 3.65Å; W137-Y149 AromaticContact CH2-CE2 3.5Å; W137-Y149 HydrophobicContact CH2-CE2 3.5Å; W137-Y149 AromaticContact CH2-CG 3.69Å; W137-Y149 HydrophobicContact CH2-CG 3.69Å; W137-Y149 AromaticContact CH2-CZ 3.53Å; W137-Y149 HydrophobicContact CZ2-CE1 4.33Å; W137-Y149 HydrophobicContact CZ2-CE2 4.11Å; W137-Y149 AromaticContact CZ2-CZ 3.96Å; W137-Y149 HydrophobicContact CZ3-CD1 4.37Å; W137-Y149 AromaticContact CZ3-CD2 3.94Å; W137-Y149 HydrophobicContact CZ3-CD2 3.94Å; W137-Y149 HydrophobicContact CZ3-CE2 4.28Å; W137-Y149 AromaticContact CZ3-CG 3.99Å; W137-Y149 HydrophobicContact CZ3-CG 3.99Å
138	L	94.6	Very high	95	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-65.3	-47.4	-176.3	-179.4	62.2	0	0	0	111.3	L133 D134 A135 T140 K141 Q146 Y149 T150	L133-L138 HydrophobicContact CB-CB 4.44Å; L133-L138 HydrophobicContact CB-CD2 4.15Å; L133-L138 HydrophobicContact CD1-CD1 4Å; L133-L138 HydrophobicContact CD1-CD2 4.09Å; D134-L138 VanDerWaalsContact O-CB 3.27Å; D134-L138 WeakPolarHBondContact O-CB 3.41Å; D134-L138 PolarHBondContact O-N 2.97Å; A135-L138 PolarHBondContact O-N 2.98Å; L138-T140 PolarHBondContact O-N 3.19Å; L138-T140 VanDerWaalsContact O-N 3.13Å; L138-K141 VanDerWaalsContact O-CB 3.29Å; L138-K141 WeakPolarHBondContact O-CB 3.34Å; L138-K141 WeakPolarHBondContact O-CG 3.48Å; L138-K141 PolarHBondContact O-N 3.23Å; L138-Q146 HydrophobicContact CD1-CB 4.09Å; L138-Q146 HydrophobicContact CD1-CG 3.92Å; L138-Q146 HydrophobicContact CG-CG 4.08Å; L138-Q146 WeakPolarHBondContact O-CG 3.33Å; L138-Y149 HydrophobicContact CD1-CD2 4.43Å; L138-T150 HydrophobicContact CD1-CG2 4.5Å; L138-T150 HydrophobicContact CD2-CG2 3.74Å
139	L	91.5	Very high	95	Very high	33 Å²	33	41 Å²	41	17%	0.173	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-1	-173.3	-58.3	-180	0	0	0	113.8	A135 P253 I328 F329	A135-L139 HydrophobicContact CB-CD1 4.39Å; A135-L139 VanDerWaalsContact O-CB 3.25Å; A135-L139 WeakPolarHBondContact O-CB 3.18Å; A135-L139 WeakPolarHBondContact O-CG 3.24Å; A135-L139 PolarHBondContact O-N 2.96Å; L139-P253 HydrophobicContact CB-CB 4.48Å; L139-P253 HydrophobicContact CD1-CB 4.19Å; L139-P253 HydrophobicContact CD1-CG 3.99Å; L139-P253 HydrophobicContact CD2-CB 4Å; L139-P253 HydrophobicContact CG-CB 4.43Å; L139-I328 HydrophobicContact CB-CD1 4.43Å; L139-I328 HydrophobicContact CB-CG1 4.49Å; L139-I328 HydrophobicContact CB-CG2 3.66Å; L139-I328 HydrophobicContact CD1-CG2 3.44Å; L139-I328 VanDerWaalsContact CD1-CG2 3.44Å; L139-I328 HydrophobicContact CG-CG2 4.19Å; L139-F329 HydrophobicContact CD1-CE2 4Å; L139-F329 HydrophobicContact CD1-CZ 4.17Å
140	T	88.9	Confident	94.9	Very high	95 Å²	95	40.7 Å²	40.7	58%	0.583	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-7.1	167.3	60.7	0	0	0	0	113.3	K136 W137 L138	K136-T140 WeakPolarHBondContact O-CG2 3.34Å; W137-T140 PolarHBondContact O-OG1 2.89Å; L138-T140 PolarHBondContact O-N 3.19Å; L138-T140 VanDerWaalsContact O-N 3.13Å
141	K	91.9	Very high	94.8	Very high	42 Å²	42	42.9 Å²	42.9	18%	0.183	22%	0.22	C	C	.	.	S	Bend	trans	-89.8	162.7	-179.8	-54.9	-62.8	172.8	-68	0	111.3	W137 L138 E145 Q146 Y149	W137-K141 PolarHBondContact O-NZ 3.27Å; L138-K141 VanDerWaalsContact O-CB 3.29Å; L138-K141 WeakPolarHBondContact O-CB 3.34Å; L138-K141 WeakPolarHBondContact O-CG 3.48Å; L138-K141 PolarHBondContact O-N 3.23Å; K141-E145 HydrophobicContact CB-CB 3.72Å; K141-Q146 HydrophobicContact CB-CG 4.14Å; K141-Q146 PolarHBondContact O-NE2 3.4Å; K141-Y149 HydrophobicContact CG-CE2 4.31Å
142	S	93.4	Very high	94.8	Very high	47 Å²	47	40.7 Å²	40.7	33%	0.329	21%	0.212	S	C	.	.			trans	-62.1	161.4	171.3	92.2	0	0	0	0	111	E144 E145 Q146	S142-E144 VanDerWaalsContact CB-OE2 3.27Å; S142-E144 WeakPolarHBondContact CB-OE2 3.49Å; S142-E144 PolarHBondContact O-N 2.94Å; S142-E144 PolarHBondContact OG-N 2.74Å; S142-E144 PolarHBondContact OG-OE2 3.38Å; S142-E145 PolarHBondContact N-OE2 3.39Å; S142-E145 PolarHBondContact O-N 2.84Å; S142-E145 PolarHBondContact OG-N 2.79Å; S142-E145 VanDerWaalsContact OG-N 3.17Å; S142-Q146 VanDerWaalsContact O-CG 3.25Å; S142-Q146 WeakPolarHBondContact O-CG 3.45Å; S142-Q146 PolarHBondContact O-N 3.41Å
143	K	92.2	Very high	94.8	Very high	76 Å²	76	40.7 Å²	40.7	33%	0.33	21%	0.212	S	C	.	.	H	α-helix	trans	-60.3	-37.5	177.4	-72.8	-76.4	-169	154.7	0	111.7	Q146 A147 P253 W255 D256	K143-Q146 PolarHBondContact O-N 3.29Å; K143-A147 PolarHBondContact O-N 3.31Å; K143-P253 PolarHBondContact NZ-O 2.76Å; K143-W255 PolarHBondContact NZ-O 2.83Å; K143-D256 WeakPolarHBondContact CE-OD1 3.4Å; K143-D256 IonicContact NZ-OD1 2.96Å; K143-D256 PolarHBondContact NZ-OD1 3.21Å
144	E	94.6	Very high	94.8	Very high	133 Å²	133	40.7 Å²	40.7	62%	0.621	21%	0.212	S	C	*	.	H	α-helix	trans	-64.2	-46	175.8	-56.6	74.8	-162.7	0	0	111.2	S142 A147 Q148	S142-E144 VanDerWaalsContact CB-OE2 3.27Å; S142-E144 WeakPolarHBondContact CB-OE2 3.49Å; S142-E144 PolarHBondContact O-N 2.94Å; S142-E144 PolarHBondContact OG-N 2.74Å; S142-E144 PolarHBondContact OG-OE2 3.38Å; E144-A147 WeakPolarHBondContact O-CB 3.49Å; E144-A147 PolarHBondContact O-N 3.04Å; E144-Q148 WeakPolarHBondContact O-CG 3.38Å; E144-Q148 PolarHBondContact O-N 3.22Å
145	E	95.6	Very high	94.9	Very high	66 Å²	66	42.1 Å²	42.1	31%	0.308	22%	0.218	S	C	.	.	H	α-helix	trans	-64.3	-41.1	175.6	-71.8	-176.3	111	0	0	111.7	K141 S142 A147 Q148 Y149	K141-E145 HydrophobicContact CB-CB 3.72Å; S142-E145 PolarHBondContact N-OE2 3.39Å; S142-E145 PolarHBondContact O-N 2.84Å; S142-E145 PolarHBondContact OG-N 2.79Å; S142-E145 VanDerWaalsContact OG-N 3.17Å; E145-A147 VanDerWaalsContact C-N 3.28Å; E145-A147 PolarHBondContact O-N 2.86Å; E145-Q148 PolarHBondContact O-N 2.66Å; E145-Y149 HydrophobicContact CB-CD2 4.47Å; E145-Y149 HydrophobicContact CB-CE2 4.26Å; E145-Y149 WeakPolarHBondContact O-CD2 3.29Å; E145-Y149 PolarHBondContact O-N 3.35Å
146	Q	95.4	Very high	95.2	Very high	26 Å²	26	41.9 Å²	41.9	12%	0.121	22%	0.216	C	C	.	.	H	α-helix	trans	-58.2	-43.5	174.9	-71.2	176.4	44.6	0	0	110.8	L138 K141 S142 K143 Y149 T150	L138-Q146 HydrophobicContact CD1-CB 4.09Å; L138-Q146 HydrophobicContact CD1-CG 3.92Å; L138-Q146 HydrophobicContact CG-CG 4.08Å; L138-Q146 WeakPolarHBondContact O-CG 3.33Å; K141-Q146 HydrophobicContact CB-CG 4.14Å; K141-Q146 PolarHBondContact O-NE2 3.4Å; S142-Q146 VanDerWaalsContact O-CG 3.25Å; S142-Q146 WeakPolarHBondContact O-CG 3.45Å; S142-Q146 PolarHBondContact O-N 3.41Å; K143-Q146 PolarHBondContact O-N 3.29Å; Q146-Y149 PolarHBondContact O-N 3.36Å; Q146-T150 WeakPolarHBondContact O-CB 3.5Å; Q146-T150 WeakPolarHBondContact O-CG2 3.24Å; Q146-T150 PolarHBondContact O-N 3.27Å; Q146-T150 PolarHBondContact O-OG1 3.1Å
147	A	95.2	Very high	95.5	Very high	37 Å²	37	38.2 Å²	38.2	31%	0.306	20%	0.2	S	C	.	.	H	α-helix	trans	-61.4	-46.9	175.1	0	0	0	0	0	111.3	K143 E144 E145 Y149 T150 D151	K143-A147 PolarHBondContact O-N 3.31Å; E144-A147 WeakPolarHBondContact O-CB 3.49Å; E144-A147 PolarHBondContact O-N 3.04Å; E145-A147 VanDerWaalsContact C-N 3.28Å; E145-A147 PolarHBondContact O-N 2.86Å; A147-Y149 VanDerWaalsContact C-N 3.34Å; A147-Y149 PolarHBondContact O-N 3.39Å; A147-T150 PolarHBondContact O-N 2.8Å; A147-T150 PolarHBondContact O-OG1 2.92Å; A147-D151 VanDerWaalsContact O-CB 3.22Å; A147-D151 WeakPolarHBondContact O-CB 3.39Å; A147-D151 PolarHBondContact O-N 3.17Å
148	Q	97.3	Very high	95.8	Very high	89 Å²	89	36.6 Å²	36.6	42%	0.416	19%	0.194	S	C	.	.	H	α-helix	trans	-58.1	-42.1	177.8	-72.8	-176.7	-25.1	0	0	113.4	K49 A50 E144 E145 G152	K49-Q148 WeakPolarHBondContact CA-O 3.46Å; K49-Q148 HydrophobicContact CB-CB 4.44Å; K49-Q148 HydrophobicContact CD-CB 4.2Å; K49-Q148 HydrophobicContact CG-CB 4.33Å; A50-Q148 PolarHBondContact N-O 3.39Å; E144-Q148 WeakPolarHBondContact O-CG 3.38Å; E144-Q148 PolarHBondContact O-N 3.22Å; E145-Q148 PolarHBondContact O-N 2.66Å; Q148-G152 PolarHBondContact O-N 3.35Å
149	Y	97.7	Very high	96	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-76.4	-41.1	-179.9	-68.8	-62	0	0	0	112.3	E46 P47 K49 W137 L138 K141 E145 Q146 A147 D151 G152 P154	E46-Y149 PolarHBondContact OE2-OH 3.28Å; P47-Y149 HydrophobicContact CB-CD1 4.29Å; P47-Y149 HydrophobicContact CG-CD1 4.41Å; K49-Y149 HydrophobicContact CD-CE1 4.06Å; K49-Y149 WeakPolarHBondContact CE-OH 3.3Å; K49-Y149 HydrophobicContact CG-CD1 3.71Å; K49-Y149 HydrophobicContact CG-CE1 3.62Å; W137-Y149 AromaticContact CH2-CD1 3.73Å; W137-Y149 HydrophobicContact CH2-CD1 3.73Å; W137-Y149 AromaticContact CH2-CD2 3.57Å; W137-Y149 HydrophobicContact CH2-CD2 3.57Å; W137-Y149 AromaticContact CH2-CE1 3.65Å; W137-Y149 HydrophobicContact CH2-CE1 3.65Å; W137-Y149 AromaticContact CH2-CE2 3.5Å; W137-Y149 HydrophobicContact CH2-CE2 3.5Å; W137-Y149 AromaticContact CH2-CG 3.69Å; W137-Y149 HydrophobicContact CH2-CG 3.69Å; W137-Y149 AromaticContact CH2-CZ 3.53Å; W137-Y149 HydrophobicContact CZ2-CE1 4.33Å; W137-Y149 HydrophobicContact CZ2-CE2 4.11Å; W137-Y149 AromaticContact CZ2-CZ 3.96Å; W137-Y149 HydrophobicContact CZ3-CD1 4.37Å; W137-Y149 AromaticContact CZ3-CD2 3.94Å; W137-Y149 HydrophobicContact CZ3-CD2 3.94Å; W137-Y149 HydrophobicContact CZ3-CE2 4.28Å; W137-Y149 AromaticContact CZ3-CG 3.99Å; W137-Y149 HydrophobicContact CZ3-CG 3.99Å; L138-Y149 HydrophobicContact CD1-CD2 4.43Å; K141-Y149 HydrophobicContact CG-CE2 4.31Å; E145-Y149 HydrophobicContact CB-CD2 4.47Å; E145-Y149 HydrophobicContact CB-CE2 4.26Å; E145-Y149 WeakPolarHBondContact O-CD2 3.29Å; E145-Y149 PolarHBondContact O-N 3.35Å; Q146-Y149 PolarHBondContact O-N 3.36Å; A147-Y149 VanDerWaalsContact C-N 3.34Å; A147-Y149 PolarHBondContact O-N 3.39Å; Y149-D151 VanDerWaalsContact C-N 3.33Å; Y149-G152 PolarHBondContact O-N 2.89Å; Y149-G152 VanDerWaalsContact O-N 3.11Å; Y149-P154 WeakPolarHBondContact O-CD 3.46Å
150	T	96.8	Very high	96.3	Very high	7 Å²	7	38 Å²	38	4%	0.043	21%	0.205	C	C	.	.	H	α-helix	trans	-67.3	-36.1	178.7	50.7	0	0	0	0	111.8	L133 L138 Q146 A147 G152 K155 R185 M186	L133-T150 HydrophobicContact CD1-CG2 4.09Å; L138-T150 HydrophobicContact CD1-CG2 4.5Å; L138-T150 HydrophobicContact CD2-CG2 3.74Å; Q146-T150 WeakPolarHBondContact O-CB 3.5Å; Q146-T150 WeakPolarHBondContact O-CG2 3.24Å; Q146-T150 PolarHBondContact O-N 3.27Å; Q146-T150 PolarHBondContact O-OG1 3.1Å; A147-T150 PolarHBondContact O-N 2.8Å; A147-T150 PolarHBondContact O-OG1 2.92Å; T150-G152 PolarHBondContact O-N 3.39Å; T150-K155 VanDerWaalsContact O-CB 3.24Å; T150-K155 WeakPolarHBondContact O-CB 3.4Å; T150-K155 PolarHBondContact O-N 3.37Å; T150-K155 VanDerWaalsContact O-N 3.17Å; T150-R185 HydrophobicContact CG2-CG 4.49Å; T150-R185 PolarHBondContact OG1-NH2 2.61Å; T150-M186 HydrophobicContact CG2-CE 4.49Å
151	D	97.4	Very high	96.8	Very high	47 Å²	47	33.4 Å²	33.4	25%	0.251	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-0.1	173.3	-75.5	15.8	0	0	0	113.7	A50 A147 Y149 K155 R185	A50-D151 HydrophobicContact CB-CB 3.74Å; A147-D151 VanDerWaalsContact O-CB 3.22Å; A147-D151 WeakPolarHBondContact O-CB 3.39Å; A147-D151 PolarHBondContact O-N 3.17Å; Y149-D151 VanDerWaalsContact C-N 3.33Å; D151-K155 HydrophobicContact CB-CD 3.83Å; D151-K155 IonicContact OD1-NZ 3.2Å; D151-K155 IonicContact OD2-NZ 3.38Å; D151-K155 PolarHBondContact OD2-NZ 2.78Å; D151-R185 IonicContact OD1-CZ 3.65Å; D151-R185 IonicContact OD1-NH1 3.91Å; D151-R185 PolarHBondContact OD1-NH1 2.77Å; D151-R185 IonicContact OD1-NH2 2.88Å; D151-R185 PolarHBondContact OD1-NH2 2.93Å
152	G	97.9	Very high	97.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-118.5	169.6	0	0	0	0	0	111.7	I54 Q148 Y149 T150 K155 A156	I54-G152 VanDerWaalsContact CD1-C 3.4Å; Q148-G152 PolarHBondContact O-N 3.35Å; Y149-G152 PolarHBondContact O-N 2.89Å; Y149-G152 VanDerWaalsContact O-N 3.11Å; T150-G152 PolarHBondContact O-N 3.39Å; G152-K155 PolarHBondContact O-N 3.47Å; G152-A156 PolarHBondContact O-N 2.79Å
153	V	98.2	Very high	97.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-55.7	-48.2	-171	174	0	0	0	0	114.4	E48 I54 V96 R131 A156 D157	E48-V153 HydrophobicContact CB-CG2 4Å; I54-V153 HydrophobicContact CD1-CG2 4.41Å; I54-V153 HydrophobicContact CG1-CG2 4.49Å; I54-V153 HydrophobicContact CG2-CG2 4.26Å; V96-V153 HydrophobicContact CG2-CB 4.11Å; V96-V153 HydrophobicContact CG2-CG1 3.65Å; R131-V153 HydrophobicContact CB-CG1 3.6Å; R131-V153 HydrophobicContact CG-CG1 4.37Å; V153-A156 PolarHBondContact O-N 2.96Å; V153-D157 PolarHBondContact O-N 2.9Å
154	P	98.5	Very high	97.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.5	-45.7	-179	-22.9	34.6	0	0	0	112.9	Y130 R131 L133 Y149 A156 D157 V158 M186	Y130-P154 HydrophobicContact CD2-CB 4.3Å; Y130-P154 HydrophobicContact CE2-CB 4.5Å; R131-P154 WeakPolarHBondContact O-CA 3.44Å; R131-P154 WeakPolarHBondContact O-CB 3.48Å; R131-P154 WeakPolarHBondContact O-CG 3.49Å; L133-P154 HydrophobicContact CD1-CG 3.74Å; L133-P154 HydrophobicContact CG-CG 3.74Å; Y149-P154 WeakPolarHBondContact O-CD 3.46Å; P154-A156 VanDerWaalsContact C-N 3.35Å; P154-A156 PolarHBondContact O-N 3.21Å; P154-D157 PolarHBondContact O-N 3.47Å; P154-V158 WeakPolarHBondContact O-CG2 3.49Å; P154-V158 PolarHBondContact O-N 3.14Å; P154-M186 HydrophobicContact CB-SD 3.74Å
155	K	98.4	Very high	97.9	Very high	36 Å²	36	24 Å²	24	16%	0.157	13%	0.129	C	C	.	.	H	α-helix	trans	-62.1	-41.2	177.7	178.4	174.1	-179.3	174.5	0	111.8	T150 D151 G152 D157 V158 M159 M186 A189 D193	T150-K155 VanDerWaalsContact O-CB 3.24Å; T150-K155 WeakPolarHBondContact O-CB 3.4Å; T150-K155 PolarHBondContact O-N 3.37Å; T150-K155 VanDerWaalsContact O-N 3.17Å; D151-K155 HydrophobicContact CB-CD 3.83Å; D151-K155 IonicContact OD1-NZ 3.2Å; D151-K155 IonicContact OD2-NZ 3.38Å; D151-K155 PolarHBondContact OD2-NZ 2.78Å; G152-K155 PolarHBondContact O-N 3.47Å; K155-D157 VanDerWaalsContact C-N 3.31Å; K155-D157 PolarHBondContact O-N 3.14Å; K155-V158 PolarHBondContact O-N 3.32Å; K155-M159 HydrophobicContact CG-CG 3.95Å; K155-M159 VanDerWaalsContact O-CB 3.3Å; K155-M159 WeakPolarHBondContact O-CB 3.35Å; K155-M159 WeakPolarHBondContact O-CG 3.4Å; K155-M159 PolarHBondContact O-N 3.44Å; K155-M186 HydrophobicContact CB-SD 4.23Å; K155-A189 HydrophobicContact CD-CB 4.04Å; K155-A189 HydrophobicContact CG-CB 3.94Å; K155-D193 WeakPolarHBondContact CE-OD2 3.46Å; K155-D193 IonicContact NZ-OD2 3.27Å; K155-D193 PolarHBondContact NZ-OD2 2.96Å
156	A	98.4	Very high	98	Very high	24 Å²	24	21.5 Å²	21.5	20%	0.198	12%	0.118	C	C	.	.	H	α-helix	trans	-58.1	-43.9	177.2	0	0	0	0	0	112.1	I54 A56 G152 V153 P154 A160	I54-A156 HydrophobicContact CB-CB 4.18Å; I54-A156 HydrophobicContact CG2-CB 3.55Å; A56-A156 HydrophobicContact CB-CB 4.5Å; A56-A156 WeakPolarHBondContact CB-O 3.26Å; G152-A156 PolarHBondContact O-N 2.79Å; V153-A156 PolarHBondContact O-N 2.96Å; P154-A156 VanDerWaalsContact C-N 3.35Å; P154-A156 PolarHBondContact O-N 3.21Å; A156-A160 WeakPolarHBondContact O-CB 3.36Å; A156-A160 PolarHBondContact O-N 3.04Å; A156-A160 VanDerWaalsContact O-N 3.16Å
157	D	98.7	Very high	98.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.6	-47.2	177	-83.1	14	0	0	0	111.8	A56 S57 Y59 R131 V153 P154 K155 M159 A160 A161	A56-D157 WeakPolarHBondContact CA-OD1 3.36Å; S57-D157 PolarHBondContact N-OD1 3.45Å; S57-D157 VanDerWaalsContact OG-CG 3.31Å; S57-D157 PolarHBondContact OG-OD1 3.02Å; S57-D157 PolarHBondContact OG-OD2 3.29Å; Y59-D157 WeakPolarHBondContact CE2-O 3.48Å; Y59-D157 WeakPolarHBondContact OH-CB 3.44Å; Y59-D157 PolarHBondContact OH-O 3.5Å; R131-D157 WeakPolarHBondContact CB-OD2 3.38Å; R131-D157 WeakPolarHBondContact CG-OD2 3.44Å; R131-D157 IonicContact CZ-OD1 2.67Å; R131-D157 IonicContact CZ-OD2 3.92Å; R131-D157 PolarHBondContact N-OD2 3.05Å; R131-D157 IonicContact NE-OD1 3.41Å; R131-D157 PolarHBondContact NE-OD1 3.5Å; R131-D157 IonicContact NE-OD2 3.81Å; R131-D157 PolarHBondContact NE-OD2 3.32Å; R131-D157 IonicContact NH2-OD1 3.27Å; R131-D157 PolarHBondContact NH2-OD1 2.77Å; R131-D157 IonicContact NH2-OD2 2.9Å; V153-D157 PolarHBondContact O-N 2.9Å; P154-D157 PolarHBondContact O-N 3.47Å; K155-D157 VanDerWaalsContact C-N 3.31Å; K155-D157 PolarHBondContact O-N 3.14Å; D157-M159 PolarHBondContact O-N 3.31Å; D157-A160 PolarHBondContact O-N 2.9Å; D157-A161 WeakPolarHBondContact O-CB 3.32Å; D157-A161 PolarHBondContact O-N 3.03Å
158	V	98.8	Very high	98.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.4	-41.5	-179.6	168.4	0	0	0	0	112.2	L81 Y130 P154 K155 A160 A161 F162 M186 I190	L81-V158 HydrophobicContact CD1-CB 4.49Å; L81-V158 HydrophobicContact CD1-CG1 3.58Å; L81-V158 HydrophobicContact CD1-CG2 4.06Å; L81-V158 HydrophobicContact CD2-CG1 4.39Å; L81-V158 HydrophobicContact CD2-CG2 4.08Å; Y130-V158 HydrophobicContact CD1-CG2 4.41Å; Y130-V158 HydrophobicContact CD2-CG2 3.83Å; Y130-V158 HydrophobicContact CE2-CG2 4.43Å; Y130-V158 HydrophobicContact CG-CG2 3.81Å; P154-V158 WeakPolarHBondContact O-CG2 3.49Å; P154-V158 PolarHBondContact O-N 3.14Å; K155-V158 PolarHBondContact O-N 3.32Å; V158-A160 VanDerWaalsContact C-N 3.35Å; V158-A161 PolarHBondContact O-N 2.96Å; V158-F162 WeakPolarHBondContact O-CB 3.28Å; V158-F162 PolarHBondContact O-N 3.3Å; V158-M186 HydrophobicContact CB-CB 4.37Å; V158-M186 HydrophobicContact CG1-CB 4.14Å; V158-M186 HydrophobicContact CG2-CB 3.9Å; V158-M186 HydrophobicContact CG2-CG 3.91Å; V158-M186 HydrophobicContact CG2-SD 4.24Å; V158-I190 HydrophobicContact CG1-CD1 3.85Å; V158-I190 HydrophobicContact CG1-CG1 4.02Å
159	M	98.5	Very high	98.3	Very high	41 Å²	41	26.6 Å²	26.6	20%	0.202	13%	0.133	C	C	.	.	H	α-helix	trans	-64.1	-42	177.5	-68.3	-68.1	-73.2	0	0	111	K155 D157 D163 D193 Y194	K155-M159 HydrophobicContact CG-CG 3.95Å; K155-M159 VanDerWaalsContact O-CB 3.3Å; K155-M159 WeakPolarHBondContact O-CB 3.35Å; K155-M159 WeakPolarHBondContact O-CG 3.4Å; K155-M159 PolarHBondContact O-N 3.44Å; D157-M159 PolarHBondContact O-N 3.31Å; M159-D163 WeakPolarHBondContact O-CB 3.3Å; M159-D163 PolarHBondContact O-N 3.41Å; M159-D193 HydrophobicContact CE-CB 4.4Å; M159-Y194 HydrophobicContact CE-CD2 3.8Å; M159-Y194 HydrophobicContact CE-CG 4.23Å; M159-Y194 HydrophobicContact SD-CD2 4.36Å
160	A	98.7	Very high	98.3	Very high	29 Å²	29	26.5 Å²	26.5	24%	0.24	13%	0.133	C	C	.	.	H	α-helix	trans	-66	-39.3	175.5	0	0	0	0	0	112.4	A56 Y59 A156 D157 V158 Y164	A56-A160 HydrophobicContact CB-CB 3.59Å; Y59-A160 HydrophobicContact CD2-CB 3.88Å; Y59-A160 HydrophobicContact CE2-CB 4Å; A156-A160 WeakPolarHBondContact O-CB 3.36Å; A156-A160 PolarHBondContact O-N 3.04Å; A156-A160 VanDerWaalsContact O-N 3.16Å; D157-A160 PolarHBondContact O-N 2.9Å; V158-A160 VanDerWaalsContact C-N 3.35Å; A160-Y164 VanDerWaalsContact O-CB 3.32Å; A160-Y164 WeakPolarHBondContact O-CB 3.41Å; A160-Y164 PolarHBondContact O-N 2.85Å
161	A	98.9	Very high	98.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.1	-49.2	176.6	0	0	0	0	0	112	Y59 F79 P128 D157 V158 Y164 Y165	Y59-A161 HydrophobicContact CD1-CB 3.78Å; Y59-A161 VanDerWaalsContact CD2-CA 3.43Å; Y59-A161 HydrophobicContact CD2-CB 3.86Å; Y59-A161 VanDerWaalsContact CD2-N 3.29Å; Y59-A161 HydrophobicContact CE1-CB 3.58Å; Y59-A161 HydrophobicContact CE2-CB 3.66Å; Y59-A161 HydrophobicContact CG-CB 3.91Å; F79-A161 HydrophobicContact CZ-CB 4.21Å; P128-A161 HydrophobicContact CB-CB 3.56Å; P128-A161 HydrophobicContact CG-CB 3.71Å; D157-A161 WeakPolarHBondContact O-CB 3.32Å; D157-A161 PolarHBondContact O-N 3.03Å; V158-A161 PolarHBondContact O-N 2.96Å; A161-Y164 PolarHBondContact O-N 3.15Å; A161-Y165 WeakPolarHBondContact O-CB 3.31Å; A161-Y165 PolarHBondContact O-N 2.75Å
162	F	98.9	Very high	98.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.2	-40.8	-177.9	-168.3	-105.9	0	0	0	111.3	F79 V158 Y165 I166 F175 L177 I190 Y194 F195 V201	F79-F162 HydrophobicContact CB-CE2 4.43Å; F79-F162 AromaticContact CD1-CD2 3.8Å; F79-F162 HydrophobicContact CD1-CD2 3.8Å; F79-F162 HydrophobicContact CD1-CE2 4.27Å; F79-F162 AromaticContact CD2-CD2 3.93Å; F79-F162 HydrophobicContact CD2-CD2 3.93Å; F79-F162 HydrophobicContact CD2-CE2 4.39Å; F79-F162 HydrophobicContact CE1-CB 4.36Å; F79-F162 AromaticContact CE1-CD2 3.77Å; F79-F162 HydrophobicContact CE1-CD2 3.77Å; F79-F162 AromaticContact CE2-CD2 3.91Å; F79-F162 HydrophobicContact CE2-CD2 3.91Å; F79-F162 AromaticContact CG-CD2 3.87Å; F79-F162 HydrophobicContact CG-CD2 3.87Å; F79-F162 HydrophobicContact CG-CE2 4.12Å; F79-F162 HydrophobicContact CZ-CB 4.01Å; F79-F162 AromaticContact CZ-CD2 3.82Å; F79-F162 HydrophobicContact CZ-CD2 3.82Å; F79-F162 HydrophobicContact CZ-CG 4.44Å; V158-F162 WeakPolarHBondContact O-CB 3.28Å; V158-F162 PolarHBondContact O-N 3.3Å; F162-Y165 AromaticContact CD2-CD1 3.92Å; F162-Y165 HydrophobicContact CD2-CD1 3.92Å; F162-Y165 HydrophobicContact CD2-CE1 4.43Å; F162-Y165 AromaticContact CE2-CD1 3.88Å; F162-Y165 HydrophobicContact CE2-CD1 3.88Å; F162-Y165 AromaticContact CE2-CE1 3.95Å; F162-Y165 HydrophobicContact CE2-CE1 3.95Å; F162-Y165 PolarHBondContact O-N 2.9Å; F162-I166 HydrophobicContact CD1-CG1 4.03Å; F162-I166 HydrophobicContact CE1-CD1 4.07Å; F162-I166 HydrophobicContact CE1-CG1 3.7Å; F162-I166 HydrophobicContact CE2-CD1 4.4Å; F162-I166 HydrophobicContact CE2-CG1 4.42Å; F162-I166 HydrophobicContact CZ-CD1 3.83Å; F162-I166 HydrophobicContact CZ-CG1 3.91Å; F162-I166 WeakPolarHBondContact O-CB 3.48Å; F162-I166 VanDerWaalsContact O-CG1 3.31Å; F162-I166 WeakPolarHBondContact O-CG1 3.4Å; F162-I166 PolarHBondContact O-N 3.16Å; F162-F175 HydrophobicContact CE2-CE2 4.32Å; F162-F175 AromaticContact CZ-CE2 3.85Å; F162-F175 HydrophobicContact CZ-CE2 3.85Å; F162-F175 AromaticContact CZ-CZ 3.88Å; F162-F175 HydrophobicContact CZ-CZ 3.88Å; F162-L177 HydrophobicContact CE2-CD2 3.71Å; F162-L177 HydrophobicContact CZ-CD2 4.22Å; F162-I190 HydrophobicContact CB-CD1 4.01Å; F162-I190 HydrophobicContact CB-CG1 4.25Å; F162-I190 HydrophobicContact CD1-CD1 4.41Å; F162-I190 HydrophobicContact CD1-CG1 4.28Å; F162-I190 HydrophobicContact CD1-CG2 3.7Å; F162-I190 HydrophobicContact CD2-CD1 3.81Å; F162-I190 HydrophobicContact CD2-CG2 4.4Å; F162-I190 HydrophobicContact CE1-CG2 3.49Å; F162-I190 VanDerWaalsContact CE1-CG2 3.49Å; F162-I190 HydrophobicContact CE2-CD1 4.4Å; F162-I190 HydrophobicContact CE2-CG2 4.23Å; F162-I190 HydrophobicContact CG-CD1 3.81Å; F162-I190 HydrophobicContact CG-CG1 4.1Å; F162-I190 HydrophobicContact CG-CG2 4.15Å; F162-I190 HydrophobicContact CZ-CG2 3.78Å; F162-Y194 AromaticContact CD1-CD1 3.58Å; F162-Y194 HydrophobicContact CD1-CD1 3.58Å; F162-Y194 HydrophobicContact CD1-CD2 4.13Å; F162-Y194 AromaticContact CD1-CE1 3.65Å; F162-Y194 HydrophobicContact CD1-CE1 3.65Å; F162-Y194 HydrophobicContact CD1-CE2 4.19Å; F162-Y194 AromaticContact CD1-CG 3.83Å; F162-Y194 HydrophobicContact CD1-CG 3.83Å; F162-Y194 AromaticContact CD1-CZ 3.96Å; F162-Y194 AromaticContact CE1-CD1 3.52Å; F162-Y194 HydrophobicContact CE1-CD1 3.52Å; F162-Y194 AromaticContact CE1-CE1 3.57Å; F162-Y194 HydrophobicContact CE1-CE1 3.57Å; F162-Y194 HydrophobicContact CE1-CG 4.2Å; F162-F195 HydrophobicContact CE1-CE1 4.11Å; F162-F195 HydrophobicContact CZ-CE1 4.25Å; F162-V201 HydrophobicContact CE1-CG1 4.18Å; F162-V201 HydrophobicContact CZ-CG1 4.41Å
163	D	98.7	Very high	98.2	Very high	46 Å²	46	32.4 Å²	32.4	25%	0.246	16%	0.161	C	C	.	.	H	α-helix	trans	-58.8	-47.9	173.7	-172.5	74.9	0	0	0	111.9	M159 Y165 I166 K167 Y194	M159-D163 WeakPolarHBondContact O-CB 3.3Å; M159-D163 PolarHBondContact O-N 3.41Å; D163-Y165 PolarHBondContact O-N 3.49Å; D163-I166 PolarHBondContact O-N 3.2Å; D163-K167 WeakPolarHBondContact O-CB 3.49Å; D163-K167 WeakPolarHBondContact O-CG 3.48Å; D163-K167 PolarHBondContact O-N 2.78Å; D163-K167 WeakPolarHBondContact OD1-CE 3.13Å; D163-K167 IonicContact OD1-NZ 2.81Å; D163-K167 PolarHBondContact OD1-NZ 2.89Å; D163-K167 WeakPolarHBondContact OD2-CD 3.18Å; D163-K167 WeakPolarHBondContact OD2-CE 3.48Å; D163-K167 IonicContact OD2-NZ 2.73Å; D163-K167 PolarHBondContact OD2-NZ 2.86Å; D163-Y194 HydrophobicContact CB-CE2 3.78Å; D163-Y194 PolarHBondContact OD1-OH 3.2Å
164	Y	98.8	Very high	98.2	Very high	54 Å²	54	33 Å²	33	21%	0.212	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-46.7	177.1	-173.3	-81.8	0	0	0	111.4	Y59 S60 W65 A160 A161 I166 K167 H168 E169	Y59-Y164 WeakPolarHBondContact O-CE1 3.38Å; S60-Y164 VanDerWaalsContact CA-CE2 3.48Å; W65-Y164 AromaticContact CZ2-CD1 3.91Å; W65-Y164 HydrophobicContact CZ2-CD1 3.91Å; A160-Y164 VanDerWaalsContact O-CB 3.32Å; A160-Y164 WeakPolarHBondContact O-CB 3.41Å; A160-Y164 PolarHBondContact O-N 2.85Å; A161-Y164 PolarHBondContact O-N 3.15Å; Y164-I166 PolarHBondContact O-N 3.03Å; Y164-K167 PolarHBondContact O-N 3.04Å; Y164-H168 HydrophobicContact CD1-CB 4.27Å; Y164-H168 AromaticContact CD2-CD2 3.43Å; Y164-H168 VanDerWaalsContact CD2-CD2 3.43Å; Y164-H168 WeakPolarHBondContact CD2-CD2 3.29Å; Y164-H168 HydrophobicContact CE1-CB 3.88Å; Y164-H168 AromaticContact CE2-CD2 3.46Å; Y164-H168 VanDerWaalsContact CE2-CD2 3.46Å; Y164-H168 WeakPolarHBondContact CE2-CD2 3.34Å; Y164-H168 AromaticContact CG-CD2 3.78Å; Y164-H168 AromaticContact CZ-CD2 3.84Å; Y164-H168 WeakPolarHBondContact O-CB 3.4Å; Y164-H168 PolarHBondContact O-CD2 2.85Å; Y164-H168 PolarHBondContact O-N 2.78Å; Y164-E169 HydrophobicContact CD1-CG 4.33Å; Y164-E169 HydrophobicContact CE1-CG 4.13Å; Y164-E169 WeakPolarHBondContact CE1-OE1 3.36Å
165	Y	98.7	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	I	π-helix	trans	-55.8	-50.6	175.7	158.4	-106.2	0	0	0	111.9	D77 F79 Y126 A161 F162 D163 K167 E169 N170 F175	D77-Y165 HydrophobicContact CB-CE2 4.3Å; D77-Y165 WeakPolarHBondContact CB-OH 3.45Å; D77-Y165 VanDerWaalsContact CG-OH 3.32Å; D77-Y165 WeakPolarHBondContact OD2-CE2 3.28Å; D77-Y165 PolarHBondContact OD2-OH 3.12Å; F79-Y165 AromaticContact CD2-CD1 3.68Å; F79-Y165 HydrophobicContact CD2-CD1 3.68Å; F79-Y165 HydrophobicContact CD2-CD2 4.3Å; F79-Y165 HydrophobicContact CD2-CE1 4.07Å; F79-Y165 AromaticContact CD2-CG 3.8Å; F79-Y165 HydrophobicContact CD2-CG 3.8Å; F79-Y165 HydrophobicContact CE2-CD1 4.06Å; F79-Y165 AromaticContact CE2-CG 3.97Å; F79-Y165 HydrophobicContact CE2-CG 3.97Å; Y126-Y165 AromaticContact CD1-CD2 3.88Å; Y126-Y165 HydrophobicContact CD1-CD2 3.88Å; Y126-Y165 HydrophobicContact CD1-CE2 4.23Å; Y126-Y165 HydrophobicContact CD2-CD2 4.05Å; Y126-Y165 AromaticContact CD2-CE2 3.56Å; Y126-Y165 HydrophobicContact CD2-CE2 3.56Å; Y126-Y165 HydrophobicContact CE1-CD2 4.23Å; Y126-Y165 HydrophobicContact CE1-CE2 4.45Å; Y126-Y165 HydrophobicContact CE2-CD2 4.39Å; Y126-Y165 AromaticContact CE2-CE2 3.82Å; Y126-Y165 HydrophobicContact CE2-CE2 3.82Å; Y126-Y165 AromaticContact CG-CD2 3.78Å; Y126-Y165 HydrophobicContact CG-CD2 3.78Å; Y126-Y165 AromaticContact CG-CE2 3.78Å; Y126-Y165 HydrophobicContact CG-CE2 3.78Å; A161-Y165 WeakPolarHBondContact O-CB 3.31Å; A161-Y165 PolarHBondContact O-N 2.75Å; F162-Y165 AromaticContact CD2-CD1 3.92Å; F162-Y165 HydrophobicContact CD2-CD1 3.92Å; F162-Y165 HydrophobicContact CD2-CE1 4.43Å; F162-Y165 AromaticContact CE2-CD1 3.88Å; F162-Y165 HydrophobicContact CE2-CD1 3.88Å; F162-Y165 AromaticContact CE2-CE1 3.95Å; F162-Y165 HydrophobicContact CE2-CE1 3.95Å; F162-Y165 PolarHBondContact O-N 2.9Å; D163-Y165 PolarHBondContact O-N 3.49Å; Y165-K167 VanDerWaalsContact C-N 3.32Å; Y165-K167 PolarHBondContact O-N 3.38Å; Y165-E169 HydrophobicContact CD2-CB 3.97Å; Y165-E169 PolarHBondContact O-N 2.95Å; Y165-N170 HydrophobicContact CD1-CB 4.37Å; Y165-N170 HydrophobicContact CD2-CB 4.11Å; Y165-N170 HydrophobicContact CE1-CB 3.95Å; Y165-N170 HydrophobicContact CE2-CB 3.65Å; Y165-N170 HydrophobicContact CG-CB 4.44Å; Y165-N170 VanDerWaalsContact O-CB 3.31Å; Y165-N170 WeakPolarHBondContact O-CB 3.25Å; Y165-N170 PolarHBondContact O-N 3.39Å; Y165-N170 PolarHBondContact OH-ND2 2.61Å; Y165-F175 WeakPolarHBondContact OH-CB 3.47Å
166	I	98.6	Very high	98.2	Very high	14 Å²	14	31.3 Å²	31.3	7%	0.072	16%	0.158	C	C	.	.	I	π-helix	trans	-60.4	-41.8	-180	-70.4	-64.9	0	0	0	111.4	F162 D163 Y164 N170 F175 Y194 V201	F162-I166 HydrophobicContact CD1-CG1 4.03Å; F162-I166 HydrophobicContact CE1-CD1 4.07Å; F162-I166 HydrophobicContact CE1-CG1 3.7Å; F162-I166 HydrophobicContact CE2-CD1 4.4Å; F162-I166 HydrophobicContact CE2-CG1 4.42Å; F162-I166 HydrophobicContact CZ-CD1 3.83Å; F162-I166 HydrophobicContact CZ-CG1 3.91Å; F162-I166 WeakPolarHBondContact O-CB 3.48Å; F162-I166 VanDerWaalsContact O-CG1 3.31Å; F162-I166 WeakPolarHBondContact O-CG1 3.4Å; F162-I166 PolarHBondContact O-N 3.16Å; D163-I166 PolarHBondContact O-N 3.2Å; Y164-I166 PolarHBondContact O-N 3.03Å; I166-N170 HydrophobicContact CD1-CB 4.46Å; I166-F175 HydrophobicContact CD1-CD1 4.48Å; I166-F175 HydrophobicContact CD1-CE1 4.07Å; I166-Y194 HydrophobicContact CG1-CE1 4.28Å; I166-V201 HydrophobicContact CD1-CG1 3.82Å; I166-V201 HydrophobicContact CG1-CG1 4.32Å; I166-V201 HydrophobicContact CG2-CG2 4.26Å
167	K	97.9	Very high	98.2	Very high	123 Å²	123	30.1 Å²	30.1	54%	0.535	15%	0.149	S	C	.	.	I	π-helix	trans	-80.7	-30.6	-174.4	-71.7	174.8	-179.4	164.5	0	114.6	D163 Y164 Y165	D163-K167 WeakPolarHBondContact O-CB 3.49Å; D163-K167 WeakPolarHBondContact O-CG 3.48Å; D163-K167 PolarHBondContact O-N 2.78Å; D163-K167 WeakPolarHBondContact OD1-CE 3.13Å; D163-K167 IonicContact OD1-NZ 2.81Å; D163-K167 PolarHBondContact OD1-NZ 2.89Å; D163-K167 WeakPolarHBondContact OD2-CD 3.18Å; D163-K167 WeakPolarHBondContact OD2-CE 3.48Å; D163-K167 IonicContact OD2-NZ 2.73Å; D163-K167 PolarHBondContact OD2-NZ 2.86Å; Y164-K167 PolarHBondContact O-N 3.04Å; Y165-K167 VanDerWaalsContact C-N 3.32Å; Y165-K167 PolarHBondContact O-N 3.38Å
168	H	97.9	Very high	98.2	Very high	107 Å²	107	30.2 Å²	30.2	50%	0.495	15%	0.149	S	C	.	.	I	π-helix	trans	-120.7	-25.6	-167.9	-59.9	-66.5	0	0	0	114.4	Y164	Y164-H168 HydrophobicContact CD1-CB 4.27Å; Y164-H168 AromaticContact CD2-CD2 3.43Å; Y164-H168 VanDerWaalsContact CD2-CD2 3.43Å; Y164-H168 WeakPolarHBondContact CD2-CD2 3.29Å; Y164-H168 HydrophobicContact CE1-CB 3.88Å; Y164-H168 AromaticContact CE2-CD2 3.46Å; Y164-H168 VanDerWaalsContact CE2-CD2 3.46Å; Y164-H168 WeakPolarHBondContact CE2-CD2 3.34Å; Y164-H168 AromaticContact CG-CD2 3.78Å; Y164-H168 AromaticContact CZ-CD2 3.84Å; Y164-H168 WeakPolarHBondContact O-CB 3.4Å; Y164-H168 PolarHBondContact O-CD2 2.85Å; Y164-H168 PolarHBondContact O-N 2.78Å
169	E	97.9	Very high	98.2	Very high	29 Å²	29	30.2 Å²	30.2	14%	0.136	15%	0.149	C	C	.	.	I	π-helix	trans	-116.6	-43.2	-168.2	-55	-63.1	165.8	0	0	112.3	K68 Y126 Y164 Y165 N171 R173	K68-E169 WeakPolarHBondContact CE-OE1 3.42Å; K68-E169 VanDerWaalsContact CE-OE2 3.26Å; K68-E169 WeakPolarHBondContact CE-OE2 3.31Å; K68-E169 IonicContact NZ-OE1 2.68Å; K68-E169 PolarHBondContact NZ-OE1 2.87Å; K68-E169 IonicContact NZ-OE2 3.22Å; K68-E169 PolarHBondContact NZ-OE2 3.47Å; Y126-E169 HydrophobicContact CD1-CB 4.4Å; Y126-E169 HydrophobicContact CE1-CB 3.64Å; Y126-E169 HydrophobicContact CE1-CG 4.15Å; Y164-E169 HydrophobicContact CD1-CG 4.33Å; Y164-E169 HydrophobicContact CE1-CG 4.13Å; Y164-E169 WeakPolarHBondContact CE1-OE1 3.36Å; Y165-E169 HydrophobicContact CD2-CB 3.97Å; Y165-E169 PolarHBondContact O-N 2.95Å; E169-N171 PolarHBondContact O-N 2.87Å; E169-N171 PolarHBondContact O-ND2 2.91Å; E169-R173 PolarHBondContact O-NH2 3.46Å
170	N	97.7	Very high	98.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.			trans	-67	-31.5	-169.9	172.3	-116	0	0	0	114.2	D77 Y165 I166 N172 R173 R204	D77-N170 PolarHBondContact OD2-ND2 3.13Å; Y165-N170 HydrophobicContact CD1-CB 4.37Å; Y165-N170 HydrophobicContact CD2-CB 4.11Å; Y165-N170 HydrophobicContact CE1-CB 3.95Å; Y165-N170 HydrophobicContact CE2-CB 3.65Å; Y165-N170 HydrophobicContact CG-CB 4.44Å; Y165-N170 VanDerWaalsContact O-CB 3.31Å; Y165-N170 WeakPolarHBondContact O-CB 3.25Å; Y165-N170 PolarHBondContact O-N 3.39Å; Y165-N170 PolarHBondContact OH-ND2 2.61Å; I166-N170 HydrophobicContact CD1-CB 4.46Å; N170-N172 PolarHBondContact O-N 3.17Å; N170-N172 VanDerWaalsContact O-N 3.14Å; N170-N172 PolarHBondContact OD1-N 2.95Å; N170-R173 PolarHBondContact ND2-O 3Å; N170-R173 WeakPolarHBondContact O-CB 3.43Å; N170-R173 WeakPolarHBondContact O-CG 3.21Å; N170-R173 PolarHBondContact O-N 3.03Å; N170-R173 PolarHBondContact O-NE 3.4Å; N170-R173 PolarHBondContact O-NH1 3.01Å; N170-R173 PolarHBondContact O-NH2 2.9Å; N170-R204 VanDerWaalsContact OD1-CZ 3.29Å; N170-R204 PolarHBondContact OD1-NH1 3.3Å; N170-R204 PolarHBondContact OD1-NH2 3.14Å; N170-R204 VanDerWaalsContact OD1-NH2 3.15Å
171	N	96.1	Very high	98.2	Very high	112 Å²	112	28 Å²	28	60%	0.599	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.5	44.6	178	-65.6	-70.5	0	0	0	113.7	E169 R173	E169-N171 PolarHBondContact O-N 2.87Å; E169-N171 PolarHBondContact O-ND2 2.91Å; N171-R173 PolarHBondContact O-N 3.28Å; N171-R173 VanDerWaalsContact O-N 3.16Å
172	N	95.9	Very high	98.2	Very high	35 Å²	35	28.5 Å²	28.5	19%	0.187	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	14.2	-178.1	-61.9	-30.9	0	0	0	116.7	N170 Q372	N170-N172 PolarHBondContact O-N 3.17Å; N170-N172 VanDerWaalsContact O-N 3.14Å; N170-N172 PolarHBondContact OD1-N 2.95Å; N172-Q372 PolarHBondContact ND2-NE2 2.93Å; N172-Q372 PolarHBondContact ND2-OE1 2.79Å; N172-Q372 PolarHBondContact OD1-NE2 3.45Å
173	R	97.6	Very high	98.2	Very high	30 Å²	30	28.5 Å²	28.5	11%	0.113	14%	0.138	C	C	.	.			trans	-64.7	141.6	172.1	-69.8	-175.7	-59.5	-79.5	-8.8	110.4	Q75 D77 Y126 E169 N170 N171 R204	Q75-R173 WeakPolarHBondContact O-CB 3.4Å; Q75-R173 WeakPolarHBondContact O-CG 3.49Å; D77-R173 IonicContact OD1-CZ 3.85Å; D77-R173 IonicContact OD1-NE 2.91Å; D77-R173 PolarHBondContact OD1-NE 2.82Å; D77-R173 IonicContact OD1-NH2 3.52Å; D77-R173 PolarHBondContact OD1-NH2 3.14Å; D77-R173 IonicContact OD2-CZ 2.88Å; D77-R173 IonicContact OD2-NE 3.44Å; D77-R173 PolarHBondContact OD2-NE 2.82Å; D77-R173 IonicContact OD2-NH2 2.71Å; D77-R173 PolarHBondContact OD2-NH2 2.87Å; Y126-R173 PolarHBondContact OH-NH2 2.91Å; E169-R173 PolarHBondContact O-NH2 3.46Å; N170-R173 PolarHBondContact ND2-O 3Å; N170-R173 WeakPolarHBondContact O-CB 3.43Å; N170-R173 WeakPolarHBondContact O-CG 3.21Å; N170-R173 PolarHBondContact O-N 3.03Å; N170-R173 PolarHBondContact O-NE 3.4Å; N170-R173 PolarHBondContact O-NH1 3.01Å; N170-R173 PolarHBondContact O-NH2 2.9Å; N171-R173 PolarHBondContact O-N 3.28Å; N171-R173 VanDerWaalsContact O-N 3.16Å; R173-R204 PolarHBondContact O-NH1 3.2Å
174	P	98.2	Very high	98.2	Very high	13 Å²	13	26.3 Å²	26.3	8%	0.084	13%	0.126	C	C	.	.			trans	-61.7	153.6	167.3	30.5	-36.8	0	0	0	110.4	Q75 A76 D77 R204 I206 Y357 F358	Q75-P174 WeakPolarHBondContact O-CD 3.32Å; A76-P174 CarbonylContact C-O 3.43Å; A76-P174 WeakPolarHBondContact CA-O 3.41Å; A76-P174 HydrophobicContact CB-CG 4.32Å; D77-P174 PolarHBondContact N-O 2.78Å; P174-R204 CarbonylContact C-O 3.6Å; P174-R204 WeakPolarHBondContact CA-O 3.33Å; P174-R204 WeakPolarHBondContact CB-O 3.46Å; P174-I206 HydrophobicContact CB-CD1 3.92Å; P174-I206 HydrophobicContact CB-CG1 3.89Å; P174-I206 HydrophobicContact CG-CD1 4.28Å; P174-Y357 HydrophobicContact CB-CD1 3.82Å; P174-Y357 HydrophobicContact CB-CE1 3.38Å; P174-Y357 HydrophobicContact CG-CD1 4.08Å; P174-Y357 HydrophobicContact CG-CE1 3.83Å; P174-F358 HydrophobicContact CG-CE1 3.63Å; P174-F358 HydrophobicContact CG-CZ 3.58Å
175	F	98.8	Very high	98.1	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	149.7	-173	60.8	-93.6	0	0	0	113.2	D77 F162 Y165 I166 L177 F195 V201 R204 M205 I206	D77-F175 HydrophobicContact CB-CB 4.09Å; D77-F175 CarbonylContact O-C 3.59Å; D77-F175 WeakPolarHBondContact O-CA 3.02Å; F162-F175 HydrophobicContact CE2-CE2 4.32Å; F162-F175 AromaticContact CZ-CE2 3.85Å; F162-F175 HydrophobicContact CZ-CE2 3.85Å; F162-F175 AromaticContact CZ-CZ 3.88Å; F162-F175 HydrophobicContact CZ-CZ 3.88Å; Y165-F175 WeakPolarHBondContact OH-CB 3.47Å; I166-F175 HydrophobicContact CD1-CD1 4.48Å; I166-F175 HydrophobicContact CD1-CE1 4.07Å; F175-L177 HydrophobicContact CD2-CD2 3.66Å; F175-L177 HydrophobicContact CD2-CG 3.99Å; F175-L177 HydrophobicContact CE2-CD1 4.29Å; F175-L177 HydrophobicContact CE2-CD2 3.7Å; F175-L177 HydrophobicContact CE2-CG 3.86Å; F175-F195 HydrophobicContact CE2-CZ 4.25Å; F175-F195 HydrophobicContact CZ-CE1 4.18Å; F175-F195 HydrophobicContact CZ-CZ 4.23Å; F175-V201 HydrophobicContact CE1-CG1 4.01Å; F175-V201 HydrophobicContact CZ-CG1 3.84Å; F175-R204 HydrophobicContact CD1-CB 4.26Å; F175-R204 HydrophobicContact CE1-CB 3.92Å; F175-R204 PolarHBondContact N-O 2.89Å; F175-M205 HydrophobicContact CE2-CB 3.94Å; F175-M205 HydrophobicContact CE2-CG 4.09Å; F175-M205 HydrophobicContact CZ-CB 4.1Å; F175-M205 CarbonylContact O-C 3.56Å; F175-M205 WeakPolarHBondContact O-CA 3.42Å; F175-I206 PolarHBondContact O-N 2.97Å
176	I	98.9	Very high	98.1	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	134.5	168.9	-62	171.5	0	0	0	108	D77 V78 F79 V178 I206 A207 Y209 A350	D77-I176 PolarHBondContact O-N 3.39Å; V78-I176 WeakPolarHBondContact CA-O 3.36Å; V78-I176 HydrophobicContact CG2-CB 4.35Å; F79-I176 PolarHBondContact N-O 2.71Å; I176-V178 HydrophobicContact CG2-CG2 3.81Å; I176-I206 HydrophobicContact CD1-CG2 4.35Å; I176-I206 HydrophobicContact CG1-CB 3.78Å; I176-I206 HydrophobicContact CG1-CD1 4.05Å; I176-I206 HydrophobicContact CG1-CG1 4.49Å; I176-I206 HydrophobicContact CG1-CG2 3.91Å; I176-A207 WeakPolarHBondContact CA-O 3.4Å; I176-Y209 HydrophobicContact CG2-CD2 3.65Å; I176-Y209 HydrophobicContact CG2-CE2 3.67Å; I176-A350 HydrophobicContact CD1-CB 4.15Å
177	L	98.9	Very high	98.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.9	169	-61.3	-176.5	0	0	0	109.4	F79 F162 F175 L187 I190 M191 F195 M205 A207 A208 Y209	F79-L177 HydrophobicContact CB-CD2 3.92Å; F79-L177 HydrophobicContact CD1-CD2 4.34Å; F79-L177 HydrophobicContact CG-CD2 4.48Å; F162-L177 HydrophobicContact CE2-CD2 3.71Å; F162-L177 HydrophobicContact CZ-CD2 4.22Å; F175-L177 HydrophobicContact CD2-CD2 3.66Å; F175-L177 HydrophobicContact CD2-CG 3.99Å; F175-L177 HydrophobicContact CE2-CD1 4.29Å; F175-L177 HydrophobicContact CE2-CD2 3.7Å; F175-L177 HydrophobicContact CE2-CG 3.86Å; L177-L187 HydrophobicContact CB-CD1 3.89Å; L177-L187 HydrophobicContact CB-CD2 3.86Å; L177-L187 HydrophobicContact CB-CG 4.47Å; L177-L187 HydrophobicContact CD1-CD2 4.4Å; L177-L187 HydrophobicContact CD2-CD2 4.43Å; L177-L187 HydrophobicContact CG-CD2 4.46Å; L177-I190 HydrophobicContact CD1-CG2 3.98Å; L177-M191 HydrophobicContact CD1-CG 4.12Å; L177-F195 HydrophobicContact CD1-CZ 3.98Å; L177-M205 HydrophobicContact CD1-SD 4.01Å; L177-M205 HydrophobicContact CG-SD 4.47Å; L177-A207 PolarHBondContact N-O 2.82Å; L177-A208 HydrophobicContact CB-CB 3.95Å; L177-A208 HydrophobicContact CD1-CB 4.37Å; L177-A208 CarbonylContact O-C 3.47Å; L177-A208 WeakPolarHBondContact O-CA 3.33Å; L177-Y209 PolarHBondContact O-N 2.68Å
178	V	98.9	Very high	98.1	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.9	177.4	-177.8	0	0	0	0	109.9	V78 F79 M80 L81 F119 I176 L187 Y209	V78-V178 HydrophobicContact CG1-CG2 3.84Å; F79-V178 PolarHBondContact O-N 2.77Å; M80-V178 CarbonylContact C-O 3.41Å; M80-V178 VanDerWaalsContact CA-O 3.3Å; M80-V178 WeakPolarHBondContact CA-O 3.44Å; M80-V178 HydrophobicContact CB-CB 4.46Å; M80-V178 HydrophobicContact CG-CB 4.21Å; M80-V178 HydrophobicContact CG-CG1 4.26Å; L81-V178 PolarHBondContact N-O 3.14Å; F119-V178 HydrophobicContact CB-CG2 4.29Å; F119-V178 HydrophobicContact CD1-CG2 3.63Å; F119-V178 HydrophobicContact CD2-CB 4.4Å; F119-V178 HydrophobicContact CD2-CG1 3.69Å; F119-V178 HydrophobicContact CD2-CG2 3.91Å; F119-V178 HydrophobicContact CE1-CG1 4.45Å; F119-V178 HydrophobicContact CE1-CG2 3.84Å; F119-V178 HydrophobicContact CE2-CB 4.43Å; F119-V178 HydrophobicContact CE2-CG1 3.41Å; F119-V178 VanDerWaalsContact CE2-CG1 3.41Å; F119-V178 HydrophobicContact CE2-CG2 4.11Å; F119-V178 HydrophobicContact CG-CG1 4.33Å; F119-V178 HydrophobicContact CG-CG2 3.67Å; F119-V178 HydrophobicContact CZ-CG1 3.83Å; F119-V178 HydrophobicContact CZ-CG2 4.07Å; I176-V178 HydrophobicContact CG2-CG2 3.81Å; V178-L187 VanDerWaalsContact C-CD1 3.47Å; V178-Y209 HydrophobicContact CG2-CD2 4.29Å
179	G	98.8	Very high	98.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	148.1	175.3	0	0	0	0	0	112.3	L81 A184 L187 Y209 L211	L81-G179 VanDerWaalsContact O-CA 3.25Å; L81-G179 WeakPolarHBondContact O-CA 3.48Å; G179-A184 WeakPolarHBondContact O-CB 3.3Å; G179-L187 VanDerWaalsContact N-CD1 3.33Å; G179-Y209 PolarHBondContact N-O 3.43Å; G179-L211 PolarHBondContact O-N 2.92Å
180	H	98.7	Very high	98.1	Very high	7 Å²	7	13.2 Å²	13.2	3%	0.032	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.6	171.4	-176.1	-102	0	0	0	111.1	L81 P83 Q182 G183 A184 L211 H335 D338 I339	L81-H180 PolarHBondContact O-N 3.11Å; P83-H180 WeakPolarHBondContact CA-O 3.35Å; P83-H180 HydrophobicContact CB-CB 4.19Å; P83-H180 WeakPolarHBondContact CB-O 3.47Å; P83-H180 HydrophobicContact CG-CB 4.35Å; H180-Q182 PolarHBondContact O-N 2.8Å; H180-Q182 VanDerWaalsContact O-N 3.1Å; H180-G183 WeakPolarHBondContact O-CA 3.38Å; H180-G183 PolarHBondContact O-N 3.48Å; H180-A184 PolarHBondContact O-N 2.89Å; H180-L211 CarbonylContact C-O 3.52Å; H180-L211 VanDerWaalsContact CA-O 3.23Å; H180-L211 WeakPolarHBondContact CA-O 3.49Å; H180-L211 PolarHBondContact CD2-O 2.95Å; H180-H335 AromaticContact CE1-CE1 3.91Å; H180-H335 AromaticContact CE1-NE2 3.63Å; H180-H335 PolarHBondContact CE1-O 3.06Å; H180-H335 VanDerWaalsContact CE1-O 3.23Å; H180-H335 PolarHBondContact NE2-O 3.23Å; H180-H335 VanDerWaalsContact NE2-O 3.12Å; H180-D338 IonicContact CD2-OD2 2.78Å; H180-D338 IonicContact CE1-OD2 2.81Å; H180-D338 IonicContact NE2-OD2 2.9Å; H180-D338 PolarHBondContact NE2-OD2 3.24Å; H180-I339 HydrophobicContact CB-CD1 3.97Å
181	S	97.7	Very high	98.2	Very high	18 Å²	18	13.2 Å²	13.2	13%	0.126	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	-114.1	173.9	-170.8	0	0	0	0	112.5	G183 A184 R185 L211 H335	S181-G183 VanDerWaalsContact C-N 3.28Å; S181-G183 PolarHBondContact O-N 2.95Å; S181-A184 WeakPolarHBondContact O-CB 3.33Å; S181-A184 PolarHBondContact O-N 3.43Å; S181-A184 VanDerWaalsContact O-N 3.14Å; S181-R185 PolarHBondContact O-N 3.29Å; S181-L211 PolarHBondContact N-O 2.85Å; S181-H335 WeakPolarHBondContact CB-NE2 3.36Å; S181-H335 PolarHBondContact OG-NE2 2.83Å; S181-H335 VanDerWaalsContact OG-NE2 3.12Å
182	Q	98	Very high	98.2	Very high	10 Å²	10	8.8 Å²	8.8	5%	0.047	4%	0.042	C	C	.	.	H	α-helix	trans	-58.4	-38.9	175.8	-170.9	171.2	113.5	0	0	112.4	T84 Y130 Q132 L133 H180 R185 M186	T84-Q182 PolarHBondContact OG1-NE2 2.83Å; Y130-Q182 HydrophobicContact CE2-CG 4.43Å; Q132-Q182 VanDerWaalsContact CA-OE1 3.28Å; Q132-Q182 VanDerWaalsContact CB-OE1 3.28Å; L133-Q182 VanDerWaalsContact N-OE1 3.14Å; L133-Q182 PolarHBondContact O-NE2 3.41Å; H180-Q182 PolarHBondContact O-N 2.8Å; H180-Q182 VanDerWaalsContact O-N 3.1Å; Q182-R185 WeakPolarHBondContact O-CB 3.45Å; Q182-R185 PolarHBondContact O-N 2.78Å; Q182-M186 VanDerWaalsContact O-CG 3.28Å; Q182-M186 WeakPolarHBondContact O-CG 3.15Å; Q182-M186 PolarHBondContact O-N 2.98Å
183	G	98.7	Very high	98.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-65.9	-38.5	175.4	0	0	0	0	0	112.7	L81 Y130 H180 S181 M186 L187	L81-G183 WeakPolarHBondContact O-CA 3.45Å; Y130-G183 PolarHBondContact OH-N 3.22Å; H180-G183 WeakPolarHBondContact O-CA 3.38Å; H180-G183 PolarHBondContact O-N 3.48Å; S181-G183 VanDerWaalsContact C-N 3.28Å; S181-G183 PolarHBondContact O-N 2.95Å; G183-M186 CarbonylContact O-C 3.47Å; G183-M186 WeakPolarHBondContact O-CB 3.46Å; G183-M186 PolarHBondContact O-N 3.49Å; G183-M186 VanDerWaalsContact O-N 3.14Å; G183-L187 PolarHBondContact O-N 3.23Å
184	A	98.7	Very high	98.2	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-63.3	-42.1	172.3	0	0	0	0	0	111.7	G179 H180 S181 M186 L187 K188 V210 L211 Q213	G179-A184 WeakPolarHBondContact O-CB 3.3Å; H180-A184 PolarHBondContact O-N 2.89Å; S181-A184 WeakPolarHBondContact O-CB 3.33Å; S181-A184 PolarHBondContact O-N 3.43Å; S181-A184 VanDerWaalsContact O-N 3.14Å; A184-M186 PolarHBondContact O-N 3.4Å; A184-L187 WeakPolarHBondContact O-CB 3.34Å; A184-L187 PolarHBondContact O-N 3.46Å; A184-L187 VanDerWaalsContact O-N 3.17Å; A184-K188 PolarHBondContact O-N 2.86Å; A184-V210 HydrophobicContact CB-CB 4.47Å; A184-V210 HydrophobicContact CB-CG1 3.78Å; A184-L211 VanDerWaalsContact CB-O 3.26Å; A184-L211 WeakPolarHBondContact CB-O 3.25Å; A184-Q213 HydrophobicContact CB-CB 3.63Å
185	R	97.8	Very high	98.1	Very high	47 Å²	47	8 Å²	8	18%	0.177	4%	0.038	C	C	.	.	H	α-helix	trans	-60.7	-32	173	177.1	58.4	-178	81.7	3.9	112.4	T150 D151 S181 Q182 K188 Q213	T150-R185 HydrophobicContact CG2-CG 4.49Å; T150-R185 PolarHBondContact OG1-NH2 2.61Å; D151-R185 IonicContact OD1-CZ 3.65Å; D151-R185 IonicContact OD1-NH1 3.91Å; D151-R185 PolarHBondContact OD1-NH1 2.77Å; D151-R185 IonicContact OD1-NH2 2.88Å; D151-R185 PolarHBondContact OD1-NH2 2.93Å; S181-R185 PolarHBondContact O-N 3.29Å; Q182-R185 WeakPolarHBondContact O-CB 3.45Å; Q182-R185 PolarHBondContact O-N 2.78Å; R185-K188 WeakPolarHBondContact O-CB 3.37Å; R185-Q213 HydrophobicContact CB-CG 4.21Å
186	M	98.6	Very high	97.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-77.7	-32	175.5	-68	-60.8	94.9	0	0	113.1	L81 Y130 T150 P154 K155 V158 Q182 G183 A184 K188 A189 I190	L81-M186 HydrophobicContact CD1-CB 3.53Å; Y130-M186 HydrophobicContact CE2-CG 4.1Å; T150-M186 HydrophobicContact CG2-CE 4.49Å; P154-M186 HydrophobicContact CB-SD 3.74Å; K155-M186 HydrophobicContact CB-SD 4.23Å; V158-M186 HydrophobicContact CB-CB 4.37Å; V158-M186 HydrophobicContact CG1-CB 4.14Å; V158-M186 HydrophobicContact CG2-CB 3.9Å; V158-M186 HydrophobicContact CG2-CG 3.91Å; V158-M186 HydrophobicContact CG2-SD 4.24Å; Q182-M186 VanDerWaalsContact O-CG 3.28Å; Q182-M186 WeakPolarHBondContact O-CG 3.15Å; Q182-M186 PolarHBondContact O-N 2.98Å; G183-M186 CarbonylContact O-C 3.47Å; G183-M186 WeakPolarHBondContact O-CB 3.46Å; G183-M186 PolarHBondContact O-N 3.49Å; G183-M186 VanDerWaalsContact O-N 3.14Å; A184-M186 PolarHBondContact O-N 3.4Å; M186-K188 PolarHBondContact O-N 3.1Å; M186-A189 WeakPolarHBondContact O-CB 3.44Å; M186-A189 PolarHBondContact O-N 3.47Å; M186-I190 PolarHBondContact O-N 3.47Å
187	L	98.7	Very high	97.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.4	-35.7	168.8	-70.7	-168.1	0	0	0	112.1	L81 L177 V178 G179 G183 A184 A189 I190 M191 V210	L81-L187 HydrophobicContact CD1-CD2 3.75Å; L81-L187 HydrophobicContact CD1-CG 4.35Å; L81-L187 HydrophobicContact CG-CD2 4.12Å; L177-L187 HydrophobicContact CB-CD1 3.89Å; L177-L187 HydrophobicContact CB-CD2 3.86Å; L177-L187 HydrophobicContact CB-CG 4.47Å; L177-L187 HydrophobicContact CD1-CD2 4.4Å; L177-L187 HydrophobicContact CD2-CD2 4.43Å; L177-L187 HydrophobicContact CG-CD2 4.46Å; V178-L187 VanDerWaalsContact C-CD1 3.47Å; G179-L187 VanDerWaalsContact N-CD1 3.33Å; G183-L187 PolarHBondContact O-N 3.23Å; A184-L187 WeakPolarHBondContact O-CB 3.34Å; A184-L187 PolarHBondContact O-N 3.46Å; A184-L187 VanDerWaalsContact O-N 3.17Å; L187-A189 VanDerWaalsContact C-N 3.26Å; L187-A189 PolarHBondContact O-N 2.89Å; L187-I190 HydrophobicContact CD2-CD1 4.09Å; L187-I190 WeakPolarHBondContact O-CB 3.23Å; L187-I190 PolarHBondContact O-N 2.69Å; L187-I190 VanDerWaalsContact O-N 3.1Å; L187-M191 WeakPolarHBondContact O-CG 3.45Å; L187-M191 PolarHBondContact O-N 2.8Å; L187-V210 HydrophobicContact CB-CG2 4.27Å; L187-V210 HydrophobicContact CD1-CG2 4.16Å
188	K	98.2	Very high	97.5	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.017	10%	0.104	C	C	.	.	H	α-helix	trans	-60.7	-35.7	174.9	-62.4	172.8	71.3	169	0	111.9	A184 R185 M186 M191 Y192 V210 Q213 S214 E219	A184-K188 PolarHBondContact O-N 2.86Å; R185-K188 WeakPolarHBondContact O-CB 3.37Å; M186-K188 PolarHBondContact O-N 3.1Å; K188-M191 HydrophobicContact CG-CE 4.24Å; K188-M191 PolarHBondContact O-N 3.22Å; K188-Y192 HydrophobicContact CB-CD2 3.96Å; K188-Y192 HydrophobicContact CB-CE2 3.79Å; K188-Y192 HydrophobicContact CD-CE2 4.45Å; K188-Y192 HydrophobicContact CG-CE2 4.07Å; K188-Y192 WeakPolarHBondContact O-CB 3.35Å; K188-Y192 WeakPolarHBondContact O-CD2 3.43Å; K188-Y192 VanDerWaalsContact O-CG 3.23Å; K188-Y192 PolarHBondContact O-N 2.74Å; K188-V210 HydrophobicContact CD-CG1 4.34Å; K188-V210 HydrophobicContact CG-CG1 4.19Å; K188-Q213 HydrophobicContact CD-CG 4.2Å; K188-S214 PolarHBondContact NZ-O 2.82Å; K188-E219 VanDerWaalsContact CE-CD 3.46Å; K188-E219 WeakPolarHBondContact CE-OE1 3.46Å; K188-E219 VanDerWaalsContact CE-OE2 3.3Å; K188-E219 WeakPolarHBondContact CE-OE2 3.4Å; K188-E219 IonicContact NZ-OE1 3.74Å; K188-E219 PolarHBondContact NZ-OE1 2.75Å; K188-E219 IonicContact NZ-OE2 3.84Å; K188-E219 PolarHBondContact NZ-OE2 3.26Å
189	A	97.6	Very high	97	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-65.1	-39.5	173.7	0	0	0	0	0	111.9	K155 M186 L187 D193 Y194	K155-A189 HydrophobicContact CD-CB 4.04Å; K155-A189 HydrophobicContact CG-CB 3.94Å; M186-A189 WeakPolarHBondContact O-CB 3.44Å; M186-A189 PolarHBondContact O-N 3.47Å; L187-A189 VanDerWaalsContact C-N 3.26Å; L187-A189 PolarHBondContact O-N 2.89Å; A189-D193 WeakPolarHBondContact O-CA 3.28Å; A189-D193 VanDerWaalsContact O-CB 3.25Å; A189-D193 WeakPolarHBondContact O-CB 3.38Å; A189-D193 PolarHBondContact O-N 2.84Å; A189-Y194 PolarHBondContact O-N 2.84Å
190	I	98.5	Very high	96.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	I	π-helix	trans	-61.6	-52.6	173.2	-64.8	170.1	0	0	0	110	F79 L81 V158 F162 L177 M186 L187 Y192 Y194 F195	F79-I190 HydrophobicContact CD1-CD1 4.35Å; F79-I190 HydrophobicContact CE1-CD1 4.03Å; L81-I190 HydrophobicContact CD1-CD1 4.25Å; V158-I190 HydrophobicContact CG1-CD1 3.85Å; V158-I190 HydrophobicContact CG1-CG1 4.02Å; F162-I190 HydrophobicContact CB-CD1 4.01Å; F162-I190 HydrophobicContact CB-CG1 4.25Å; F162-I190 HydrophobicContact CD1-CD1 4.41Å; F162-I190 HydrophobicContact CD1-CG1 4.28Å; F162-I190 HydrophobicContact CD1-CG2 3.7Å; F162-I190 HydrophobicContact CD2-CD1 3.81Å; F162-I190 HydrophobicContact CD2-CG2 4.4Å; F162-I190 HydrophobicContact CE1-CG2 3.49Å; F162-I190 VanDerWaalsContact CE1-CG2 3.49Å; F162-I190 HydrophobicContact CE2-CD1 4.4Å; F162-I190 HydrophobicContact CE2-CG2 4.23Å; F162-I190 HydrophobicContact CG-CD1 3.81Å; F162-I190 HydrophobicContact CG-CG1 4.1Å; F162-I190 HydrophobicContact CG-CG2 4.15Å; F162-I190 HydrophobicContact CZ-CG2 3.78Å; L177-I190 HydrophobicContact CD1-CG2 3.98Å; M186-I190 PolarHBondContact O-N 3.47Å; L187-I190 HydrophobicContact CD2-CD1 4.09Å; L187-I190 WeakPolarHBondContact O-CB 3.23Å; L187-I190 PolarHBondContact O-N 2.69Å; L187-I190 VanDerWaalsContact O-N 3.1Å; I190-Y192 PolarHBondContact O-N 3.27Å; I190-Y194 WeakPolarHBondContact O-CA 3.5Å; I190-Y194 VanDerWaalsContact O-CB 3.22Å; I190-Y194 WeakPolarHBondContact O-CB 3.43Å; I190-Y194 PolarHBondContact O-N 3.03Å; I190-Y194 VanDerWaalsContact O-N 3.08Å; I190-F195 HydrophobicContact CG2-CD1 4.32Å; I190-F195 HydrophobicContact CG2-CE1 3.72Å; I190-F195 HydrophobicContact CG2-CZ 4.06Å; I190-F195 PolarHBondContact O-N 2.83Å
191	M	97.9	Very high	96.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	I	π-helix	trans	-67	-39.6	-174.6	-68.2	-170.3	-62.2	0	0	113.8	L177 L187 K188 F195 M205 A208 V210 Q225 V226 V238	L177-M191 HydrophobicContact CD1-CG 4.12Å; L187-M191 WeakPolarHBondContact O-CG 3.45Å; L187-M191 PolarHBondContact O-N 2.8Å; K188-M191 HydrophobicContact CG-CE 4.24Å; K188-M191 PolarHBondContact O-N 3.22Å; M191-F195 HydrophobicContact CB-CD2 4.28Å; M191-F195 HydrophobicContact CB-CE2 4.22Å; M191-F195 HydrophobicContact CG-CD2 4.45Å; M191-F195 HydrophobicContact CG-CE2 3.89Å; M191-F195 HydrophobicContact CG-CZ 4.48Å; M191-M205 HydrophobicContact SD-SD 4.46Å; M191-A208 HydrophobicContact CE-CB 4.48Å; M191-A208 HydrophobicContact SD-CB 3.49Å; M191-A208 WeakPolarHBondContact SD-CB 3.45Å; M191-V210 HydrophobicContact CE-CG2 3.57Å; M191-Q225 PolarHBondContact O-NE2 2.78Å; M191-V226 HydrophobicContact CB-CG1 4.13Å; M191-V226 HydrophobicContact CG-CG1 4.4Å; M191-V226 HydrophobicContact SD-CG1 4.37Å; M191-V238 HydrophobicContact CE-CG1 4.14Å; M191-V238 HydrophobicContact CE-CG2 4.15Å; M191-V238 HydrophobicContact SD-CG1 4.43Å; M191-V238 HydrophobicContact SD-CG2 3.58Å; M191-V238 VanDerWaalsContact SD-CG2 3.58Å
192	Y	96.4	Very high	96.4	Very high	19 Å²	19	27.2 Å²	27.2	8%	0.075	15%	0.149	C	C	.	.	I	π-helix	trans	-95.5	-22	-171.1	-56.7	-20.1	0	0	0	113.4	K188 I190 K196 E219 M220 N223 V226	K188-Y192 HydrophobicContact CB-CD2 3.96Å; K188-Y192 HydrophobicContact CB-CE2 3.79Å; K188-Y192 HydrophobicContact CD-CE2 4.45Å; K188-Y192 HydrophobicContact CG-CE2 4.07Å; K188-Y192 WeakPolarHBondContact O-CB 3.35Å; K188-Y192 WeakPolarHBondContact O-CD2 3.43Å; K188-Y192 VanDerWaalsContact O-CG 3.23Å; K188-Y192 PolarHBondContact O-N 2.74Å; I190-Y192 PolarHBondContact O-N 3.27Å; Y192-K196 WeakPolarHBondContact O-CD 3.32Å; Y192-K196 WeakPolarHBondContact O-CE 3.48Å; Y192-K196 WeakPolarHBondContact O-CG 3.35Å; Y192-K196 PolarHBondContact O-NZ 3.05Å; Y192-E219 HydrophobicContact CE2-CB 4.01Å; Y192-E219 HydrophobicContact CE2-CG 4.19Å; Y192-M220 HydrophobicContact CE1-CE 3.96Å; Y192-M220 WeakPolarHBondContact OH-CE 3.3Å; Y192-N223 WeakPolarHBondContact CA-OD1 3.41Å; Y192-N223 VanDerWaalsContact CB-OD1 3.31Å; Y192-N223 WeakPolarHBondContact CB-OD1 3.33Å; Y192-N223 HydrophobicContact CD1-CB 3.59Å; Y192-N223 HydrophobicContact CE1-CB 3.92Å; Y192-N223 HydrophobicContact CG-CB 4.35Å; Y192-V226 HydrophobicContact CD1-CG2 4.29Å; Y192-V226 HydrophobicContact CE1-CG2 3.79Å
193	D	96.1	Very high	96.3	Very high	51 Å²	51	32 Å²	32	27%	0.273	18%	0.175	S	C	.	.	I	π-helix	trans	-117.5	-51.7	-179.2	-50.3	-44.4	0	0	0	112.2	K155 M159 A189 F195 K196 N197	K155-D193 WeakPolarHBondContact CE-OD2 3.46Å; K155-D193 IonicContact NZ-OD2 3.27Å; K155-D193 PolarHBondContact NZ-OD2 2.96Å; M159-D193 HydrophobicContact CE-CB 4.4Å; A189-D193 WeakPolarHBondContact O-CA 3.28Å; A189-D193 VanDerWaalsContact O-CB 3.25Å; A189-D193 WeakPolarHBondContact O-CB 3.38Å; A189-D193 PolarHBondContact O-N 2.84Å; D193-F195 PolarHBondContact O-N 3.07Å; D193-K196 PolarHBondContact O-N 3.13Å; D193-N197 PolarHBondContact O-N 3.06Å; D193-N197 PolarHBondContact O-ND2 2.85Å
194	Y	97.6	Very high	96.2	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.016	18%	0.18	C	C	.	.	I	π-helix	trans	-63.3	-46.3	-176.7	-171.8	-87.3	0	0	0	111.6	M159 F162 D163 I166 A189 I190 K196 N197 N198 V201	M159-Y194 HydrophobicContact CE-CD2 3.8Å; M159-Y194 HydrophobicContact CE-CG 4.23Å; M159-Y194 HydrophobicContact SD-CD2 4.36Å; F162-Y194 AromaticContact CD1-CD1 3.58Å; F162-Y194 HydrophobicContact CD1-CD1 3.58Å; F162-Y194 HydrophobicContact CD1-CD2 4.13Å; F162-Y194 AromaticContact CD1-CE1 3.65Å; F162-Y194 HydrophobicContact CD1-CE1 3.65Å; F162-Y194 HydrophobicContact CD1-CE2 4.19Å; F162-Y194 AromaticContact CD1-CG 3.83Å; F162-Y194 HydrophobicContact CD1-CG 3.83Å; F162-Y194 AromaticContact CD1-CZ 3.96Å; F162-Y194 AromaticContact CE1-CD1 3.52Å; F162-Y194 HydrophobicContact CE1-CD1 3.52Å; F162-Y194 AromaticContact CE1-CE1 3.57Å; F162-Y194 HydrophobicContact CE1-CE1 3.57Å; F162-Y194 HydrophobicContact CE1-CG 4.2Å; D163-Y194 HydrophobicContact CB-CE2 3.78Å; D163-Y194 PolarHBondContact OD1-OH 3.2Å; I166-Y194 HydrophobicContact CG1-CE1 4.28Å; A189-Y194 PolarHBondContact O-N 2.84Å; I190-Y194 WeakPolarHBondContact O-CA 3.5Å; I190-Y194 VanDerWaalsContact O-CB 3.22Å; I190-Y194 WeakPolarHBondContact O-CB 3.43Å; I190-Y194 PolarHBondContact O-N 3.03Å; I190-Y194 VanDerWaalsContact O-N 3.08Å; Y194-K196 VanDerWaalsContact C-N 3.31Å; Y194-K196 PolarHBondContact O-N 3.19Å; Y194-N197 PolarHBondContact O-N 2.79Å; Y194-N198 HydrophobicContact CD1-CB 4.2Å; Y194-N198 HydrophobicContact CE1-CB 3.79Å; Y194-N198 WeakPolarHBondContact CE2-ND2 3.27Å; Y194-N198 WeakPolarHBondContact O-CB 3.3Å; Y194-N198 PolarHBondContact O-N 2.84Å; Y194-N198 PolarHBondContact O-ND2 2.87Å; Y194-V201 HydrophobicContact CE1-CB 4.46Å; Y194-V201 HydrophobicContact CE1-CG1 4.11Å; Y194-V201 HydrophobicContact CE1-CG2 4.23Å
195	F	97.1	Very high	96.2	Very high	5 Å²	5	33.6 Å²	33.6	2%	0.022	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-34.1	179.5	-66.2	-12.2	0	0	0	113.2	F162 F175 L177 I190 M191 D193 N197 N198 V201 M205 Q225 V226	F162-F195 HydrophobicContact CE1-CE1 4.11Å; F162-F195 HydrophobicContact CZ-CE1 4.25Å; F175-F195 HydrophobicContact CE2-CZ 4.25Å; F175-F195 HydrophobicContact CZ-CE1 4.18Å; F175-F195 HydrophobicContact CZ-CZ 4.23Å; L177-F195 HydrophobicContact CD1-CZ 3.98Å; I190-F195 HydrophobicContact CG2-CD1 4.32Å; I190-F195 HydrophobicContact CG2-CE1 3.72Å; I190-F195 HydrophobicContact CG2-CZ 4.06Å; I190-F195 PolarHBondContact O-N 2.83Å; M191-F195 HydrophobicContact CB-CD2 4.28Å; M191-F195 HydrophobicContact CB-CE2 4.22Å; M191-F195 HydrophobicContact CG-CD2 4.45Å; M191-F195 HydrophobicContact CG-CE2 3.89Å; M191-F195 HydrophobicContact CG-CZ 4.48Å; D193-F195 PolarHBondContact O-N 3.07Å; F195-N197 VanDerWaalsContact C-N 3.29Å; F195-N197 PolarHBondContact O-N 2.73Å; F195-N198 CarbonylContact O-C 3.51Å; F195-N198 PolarHBondContact O-N 2.98Å; F195-V201 HydrophobicContact CD1-CB 4.38Å; F195-V201 HydrophobicContact CD1-CG1 4.08Å; F195-V201 HydrophobicContact CE1-CG1 3.88Å; F195-M205 HydrophobicContact CE2-SD 3.74Å; F195-M205 HydrophobicContact CZ-CB 4.43Å; F195-M205 HydrophobicContact CZ-SD 3.95Å; F195-Q225 HydrophobicContact CB-CG 4.31Å; F195-V226 HydrophobicContact CD2-CG1 4.16Å; F195-V226 HydrophobicContact CE2-CG1 4.31Å
196	K	93.9	Very high	96.2	Very high	108 Å²	108	31.4 Å²	31.4	47%	0.47	17%	0.173	S	C	.	.	H	α-helix	trans	-64.2	-35.8	176.4	-70.2	-175.4	-174.8	150	0	112.3	Y192 D193 Y194 N223	Y192-K196 WeakPolarHBondContact O-CD 3.32Å; Y192-K196 WeakPolarHBondContact O-CE 3.48Å; Y192-K196 WeakPolarHBondContact O-CG 3.35Å; Y192-K196 PolarHBondContact O-NZ 3.05Å; D193-K196 PolarHBondContact O-N 3.13Å; Y194-K196 VanDerWaalsContact C-N 3.31Å; Y194-K196 PolarHBondContact O-N 3.19Å; K196-N223 WeakPolarHBondContact CE-OD1 3.47Å; K196-N223 PolarHBondContact NZ-OD1 3.33Å
197	N	93.6	Very high	96.2	Very high	124 Å²	124	31.4 Å²	31.4	66%	0.663	17%	0.173	S	C	*	.	H	α-helix	trans	-89.1	-13	-178	-64.8	-37.2	0	0	0	113.3	D193 Y194 F195	D193-N197 PolarHBondContact O-N 3.06Å; D193-N197 PolarHBondContact O-ND2 2.85Å; Y194-N197 PolarHBondContact O-N 2.79Å; F195-N197 VanDerWaalsContact C-N 3.29Å; F195-N197 PolarHBondContact O-N 2.73Å
198	N	95.8	Very high	96.2	Very high	47 Å²	47	31.4 Å²	31.4	25%	0.251	17%	0.173	S	C	.	.	S	Bend	trans	-131.7	72	-178	-60	-84.8	0	0	0	109.8	Y194 F195 V201	Y194-N198 HydrophobicContact CD1-CB 4.2Å; Y194-N198 HydrophobicContact CE1-CB 3.79Å; Y194-N198 WeakPolarHBondContact CE2-ND2 3.27Å; Y194-N198 WeakPolarHBondContact O-CB 3.3Å; Y194-N198 PolarHBondContact O-N 2.84Å; Y194-N198 PolarHBondContact O-ND2 2.87Å; F195-N198 CarbonylContact O-C 3.51Å; F195-N198 PolarHBondContact O-N 2.98Å; N198-V201 HydrophobicContact CB-CB 4.5Å; N198-V201 HydrophobicContact CB-CG2 3.82Å; N198-V201 WeakPolarHBondContact O-CB 3.46Å; N198-V201 WeakPolarHBondContact O-CG2 3.15Å; N198-V201 PolarHBondContact O-N 2.75Å
199	P	88.5	Confident	96.3	Very high	98 Å²	98	31.2 Å²	31.2	64%	0.636	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	143.5	-179.1	25.3	-34.4	0	0	0	111.2	V201	P199-V201 VanDerWaalsContact C-N 3.32Å
200	G	91	Very high	96.3	Very high	31 Å²	31	31.1 Å²	31.1	32%	0.32	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-19.9	-175.9	0	0	0	0	0	114.4	D203	G200-D203 PolarHBondContact O-N 3.44Å
201	V	96.6	Very high	96.3	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.024	17%	0.172	C	C	.	.	S	Bend	trans	-68.3	-39.9	173.7	178.2	0	0	0	0	111.2	F162 I166 F175 Y194 F195 N198 P199 D203 R204	F162-V201 HydrophobicContact CE1-CG1 4.18Å; F162-V201 HydrophobicContact CZ-CG1 4.41Å; I166-V201 HydrophobicContact CD1-CG1 3.82Å; I166-V201 HydrophobicContact CG1-CG1 4.32Å; I166-V201 HydrophobicContact CG2-CG2 4.26Å; F175-V201 HydrophobicContact CE1-CG1 4.01Å; F175-V201 HydrophobicContact CZ-CG1 3.84Å; Y194-V201 HydrophobicContact CE1-CB 4.46Å; Y194-V201 HydrophobicContact CE1-CG1 4.11Å; Y194-V201 HydrophobicContact CE1-CG2 4.23Å; F195-V201 HydrophobicContact CD1-CB 4.38Å; F195-V201 HydrophobicContact CD1-CG1 4.08Å; F195-V201 HydrophobicContact CE1-CG1 3.88Å; N198-V201 HydrophobicContact CB-CB 4.5Å; N198-V201 HydrophobicContact CB-CG2 3.82Å; N198-V201 WeakPolarHBondContact O-CB 3.46Å; N198-V201 WeakPolarHBondContact O-CG2 3.15Å; N198-V201 PolarHBondContact O-N 2.75Å; P199-V201 VanDerWaalsContact C-N 3.32Å; V201-D203 PolarHBondContact O-N 3.41Å; V201-R204 PolarHBondContact O-N 2.89Å
202	S	96	Very high	96.4	Very high	18 Å²	18	31.1 Å²	31.1	13%	0.126	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-60.3	-31.4	177.9	51.6	0	0	0	0	113.1	R204 M205	S202-R204 PolarHBondContact O-N 2.93Å; S202-M205 VanDerWaalsContact O-CB 3.27Å; S202-M205 WeakPolarHBondContact O-CB 3.2Å; S202-M205 PolarHBondContact O-N 2.78Å
203	D	94.8	Very high	96.4	Very high	112 Å²	112	31.2 Å²	31.2	60%	0.599	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-70	-16.5	-177.7	-56.9	-16.8	0	0	0	112.2	G200 V201 Y357	G200-D203 PolarHBondContact O-N 3.44Å; V201-D203 PolarHBondContact O-N 3.41Å; D203-Y357 PolarHBondContact O-OH 3.37Å
204	R	96.7	Very high	96.5	Very high	29 Å²	29	28.9 Å²	28.9	11%	0.109	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-94.8	-3.2	175.5	-61	-170.8	-64.1	103.9	-11	113	N170 R173 P174 F175 V201 S202 I206 Y357	N170-R204 VanDerWaalsContact OD1-CZ 3.29Å; N170-R204 PolarHBondContact OD1-NH1 3.3Å; N170-R204 PolarHBondContact OD1-NH2 3.14Å; N170-R204 VanDerWaalsContact OD1-NH2 3.15Å; R173-R204 PolarHBondContact O-NH1 3.2Å; P174-R204 CarbonylContact C-O 3.6Å; P174-R204 WeakPolarHBondContact CA-O 3.33Å; P174-R204 WeakPolarHBondContact CB-O 3.46Å; F175-R204 HydrophobicContact CD1-CB 4.26Å; F175-R204 HydrophobicContact CE1-CB 3.92Å; F175-R204 PolarHBondContact N-O 2.89Å; V201-R204 PolarHBondContact O-N 2.89Å; S202-R204 PolarHBondContact O-N 2.93Å; R204-I206 PolarHBondContact O-N 2.77Å; R204-Y357 WeakPolarHBondContact CA-OH 3.25Å
205	M	98.2	Very high	96.6	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.02	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	116.4	174.4	-172.9	-174.9	74	0	0	109.9	F175 L177 M191 F195 S202 A208 V226 G236	F175-M205 HydrophobicContact CE2-CB 3.94Å; F175-M205 HydrophobicContact CE2-CG 4.09Å; F175-M205 HydrophobicContact CZ-CB 4.1Å; F175-M205 CarbonylContact O-C 3.56Å; F175-M205 WeakPolarHBondContact O-CA 3.42Å; L177-M205 HydrophobicContact CD1-SD 4.01Å; L177-M205 HydrophobicContact CG-SD 4.47Å; M191-M205 HydrophobicContact SD-SD 4.46Å; F195-M205 HydrophobicContact CE2-SD 3.74Å; F195-M205 HydrophobicContact CZ-CB 4.43Å; F195-M205 HydrophobicContact CZ-SD 3.95Å; S202-M205 VanDerWaalsContact O-CB 3.27Å; S202-M205 WeakPolarHBondContact O-CB 3.2Å; S202-M205 PolarHBondContact O-N 2.78Å; M205-A208 HydrophobicContact CE-CB 4.47Å; M205-A208 HydrophobicContact SD-CB 3.81Å; M205-V226 HydrophobicContact CE-CG1 4.42Å; M205-G236 WeakPolarHBondContact O-CA 3.28Å; M205-G236 PolarHBondContact O-N 3.13Å
206	I	98.7	Very high	96.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-51.1	173.3	-66.6	166.4	0	0	0	109.5	A76 P174 F175 I176 R204 T235 G236 R353 E354 Y357	A76-I206 HydrophobicContact CB-CD1 3.69Å; P174-I206 HydrophobicContact CB-CD1 3.92Å; P174-I206 HydrophobicContact CB-CG1 3.89Å; P174-I206 HydrophobicContact CG-CD1 4.28Å; F175-I206 PolarHBondContact O-N 2.97Å; I176-I206 HydrophobicContact CD1-CG2 4.35Å; I176-I206 HydrophobicContact CG1-CB 3.78Å; I176-I206 HydrophobicContact CG1-CD1 4.05Å; I176-I206 HydrophobicContact CG1-CG1 4.49Å; I176-I206 HydrophobicContact CG1-CG2 3.91Å; R204-I206 PolarHBondContact O-N 2.77Å; I206-T235 CarbonylContact O-C 3.51Å; I206-T235 WeakPolarHBondContact O-CA 3.45Å; I206-G236 PolarHBondContact O-N 3.46Å; I206-R353 HydrophobicContact CG2-CB 3.8Å; I206-R353 WeakPolarHBondContact CG2-O 3.41Å; I206-E354 HydrophobicContact CD1-CB 4.41Å; I206-E354 HydrophobicContact CD1-CG 4.24Å; I206-Y357 HydrophobicContact CG1-CD1 4.14Å; I206-Y357 HydrophobicContact CG1-CD2 3.96Å; I206-Y357 HydrophobicContact CG1-CG 3.72Å
207	A	98.8	Very high	96.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	158.7	179	0	0	0	0	0	110.8	I176 L177 Y209 V237 I239	I176-A207 WeakPolarHBondContact CA-O 3.4Å; L177-A207 PolarHBondContact N-O 2.82Å; A207-Y209 HydrophobicContact CB-CD2 4.47Å; A207-Y209 HydrophobicContact CB-CE2 3.88Å; A207-V237 CarbonylContact C-O 3.5Å; A207-V237 WeakPolarHBondContact CA-O 3.31Å; A207-I239 HydrophobicContact CB-CD1 3.82Å
208	A	98.9	Very high	97.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	113	170.6	0	0	0	0	0	111.5	L177 M191 M205 V210 V237 V238 I239	L177-A208 HydrophobicContact CB-CB 3.95Å; L177-A208 HydrophobicContact CD1-CB 4.37Å; L177-A208 CarbonylContact O-C 3.47Å; L177-A208 WeakPolarHBondContact O-CA 3.33Å; M191-A208 HydrophobicContact CE-CB 4.48Å; M191-A208 HydrophobicContact SD-CB 3.49Å; M191-A208 WeakPolarHBondContact SD-CB 3.45Å; M205-A208 HydrophobicContact CE-CB 4.47Å; M205-A208 HydrophobicContact SD-CB 3.81Å; A208-V210 HydrophobicContact CB-CG2 4.38Å; A208-V210 PolarHBondContact O-N 3.05Å; A208-V237 PolarHBondContact N-O 2.9Å; A208-V238 HydrophobicContact CB-CG2 4.43Å; A208-V238 CarbonylContact O-C 3.52Å; A208-V238 WeakPolarHBondContact O-CA 3.39Å; A208-I239 PolarHBondContact O-N 3.33Å
209	Y	98.9	Very high	97.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	95.2	174.5	-63.8	-94.9	0	0	0	109.5	F119 I176 L177 V178 G179 A207 I239 L346 N349 A350 R353	F119-Y209 HydrophobicContact CD1-CD2 4.4Å; F119-Y209 HydrophobicContact CD1-CE2 4.43Å; F119-Y209 AromaticContact CE1-CD1 3.99Å; F119-Y209 HydrophobicContact CE1-CD1 3.99Å; F119-Y209 AromaticContact CE1-CD2 3.63Å; F119-Y209 HydrophobicContact CE1-CD2 3.63Å; F119-Y209 HydrophobicContact CE1-CE1 4.14Å; F119-Y209 AromaticContact CE1-CE2 3.81Å; F119-Y209 HydrophobicContact CE1-CE2 3.81Å; F119-Y209 AromaticContact CE1-CG 3.74Å; F119-Y209 HydrophobicContact CE1-CG 3.74Å; F119-Y209 HydrophobicContact CZ-CD1 4.17Å; F119-Y209 HydrophobicContact CZ-CD2 4.32Å; F119-Y209 AromaticContact CZ-CG 3.99Å; F119-Y209 HydrophobicContact CZ-CG 3.99Å; I176-Y209 HydrophobicContact CG2-CD2 3.65Å; I176-Y209 HydrophobicContact CG2-CE2 3.67Å; L177-Y209 PolarHBondContact O-N 2.68Å; V178-Y209 HydrophobicContact CG2-CD2 4.29Å; G179-Y209 PolarHBondContact N-O 3.43Å; A207-Y209 HydrophobicContact CB-CD2 4.47Å; A207-Y209 HydrophobicContact CB-CE2 3.88Å; Y209-I239 HydrophobicContact CD1-CB 4.01Å; Y209-I239 HydrophobicContact CD1-CD1 4.26Å; Y209-I239 HydrophobicContact CD1-CG1 4.34Å; Y209-I239 HydrophobicContact CD1-CG2 4Å; Y209-I239 HydrophobicContact CE1-CB 4.37Å; Y209-I239 HydrophobicContact CE1-CD1 4.13Å; Y209-I239 HydrophobicContact CE1-CG1 4.25Å; Y209-I239 HydrophobicContact CE1-CG2 4.32Å; Y209-I239 HydrophobicContact CE2-CD1 4.4Å; Y209-I239 HydrophobicContact CG-CD1 4.45Å; Y209-L346 HydrophobicContact CD1-CD2 3.7Å; Y209-L346 HydrophobicContact CE1-CD2 3.87Å; Y209-N349 PolarHBondContact OH-OD1 2.82Å; Y209-A350 HydrophobicContact CE2-CB 4.29Å; Y209-A350 VanDerWaalsContact OH-CA 3.28Å; Y209-A350 WeakPolarHBondContact OH-CA 3.33Å; Y209-A350 PolarHBondContact OH-N 3.4Å; Y209-R353 PolarHBondContact OH-NH1 2.83Å
210	V	98.9	Very high	97.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	77.6	179.8	-175.5	0	0	0	0	108.7	A184 L187 K188 M191 A208 Q213 V215 V238 I239 S240	A184-V210 HydrophobicContact CB-CB 4.47Å; A184-V210 HydrophobicContact CB-CG1 3.78Å; L187-V210 HydrophobicContact CB-CG2 4.27Å; L187-V210 HydrophobicContact CD1-CG2 4.16Å; K188-V210 HydrophobicContact CD-CG1 4.34Å; K188-V210 HydrophobicContact CG-CG1 4.19Å; M191-V210 HydrophobicContact CE-CG2 3.57Å; A208-V210 HydrophobicContact CB-CG2 4.38Å; A208-V210 PolarHBondContact O-N 3.05Å; V210-Q213 HydrophobicContact CG1-CB 4.35Å; V210-V215 HydrophobicContact CB-CG2 4.01Å; V210-V215 HydrophobicContact CG1-CG2 3.72Å; V210-V215 HydrophobicContact CG2-CG2 4.45Å; V210-V238 HydrophobicContact CB-CG1 4.22Å; V210-V238 HydrophobicContact CG2-CG1 3.71Å; V210-I239 PolarHBondContact N-O 3.42Å; V210-S240 VanDerWaalsContact O-CA 3.3Å; V210-S240 WeakPolarHBondContact O-CA 3.36Å; V210-S240 WeakPolarHBondContact O-CB 3.39Å; V210-S240 PolarHBondContact O-OG 3.25Å
211	L	98.9	Very high	97.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	141.8	-166.7	-52.5	-179.3	0	0	0	111.5	G179 H180 S181 A184 Q213 I239 Y241 I339 L346	G179-L211 PolarHBondContact O-N 2.92Å; H180-L211 CarbonylContact C-O 3.52Å; H180-L211 VanDerWaalsContact CA-O 3.23Å; H180-L211 WeakPolarHBondContact CA-O 3.49Å; H180-L211 PolarHBondContact CD2-O 2.95Å; S181-L211 PolarHBondContact N-O 2.85Å; A184-L211 VanDerWaalsContact CB-O 3.26Å; A184-L211 WeakPolarHBondContact CB-O 3.25Å; L211-Q213 PolarHBondContact O-N 2.73Å; L211-I239 HydrophobicContact CD2-CG2 4.42Å; L211-Y241 HydrophobicContact CD2-CD1 4.07Å; L211-Y241 HydrophobicContact CD2-CE1 3.5Å; L211-Y241 HydrophobicContact CD2-CE2 4.48Å; L211-I339 HydrophobicContact CB-CG1 4.35Å; L211-I339 HydrophobicContact CD1-CD1 3.84Å; L211-I339 HydrophobicContact CD1-CG1 3.42Å; L211-I339 VanDerWaalsContact CD1-CG1 3.42Å; L211-L346 HydrophobicContact CD1-CD1 4Å; L211-L346 HydrophobicContact CD1-CD2 4.13Å
212	G	98.4	Very high	98	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	25.7	-178.2	0	0	0	0	0	113.5	Y241 N242 T254 H335 D338	G212-Y241 PolarHBondContact N-O 2.94Å; G212-N242 WeakPolarHBondContact CA-OD1 3.3Å; G212-N242 PolarHBondContact O-OD1 2.96Å; G212-T254 VanDerWaalsContact O-CB 3.26Å; G212-T254 WeakPolarHBondContact O-CB 3.39Å; G212-T254 WeakPolarHBondContact O-CG2 3.24Å; G212-H335 PolarHBondContact O-CE1 3.48Å; G212-H335 VanDerWaalsContact O-CE1 3.26Å; G212-D338 WeakPolarHBondContact CA-OD2 3.36Å
213	Q	98	Very high	98	Very high	21 Å²	21	30 Å²	30	10%	0.098	15%	0.15	C	C	.	.	S	Bend	trans	-151.8	129.5	174	-179.6	65.2	17.1	0	0	108.7	A184 R185 K188 V210 L211 S240	A184-Q213 HydrophobicContact CB-CB 3.63Å; R185-Q213 HydrophobicContact CB-CG 4.21Å; K188-Q213 HydrophobicContact CD-CG 4.2Å; V210-Q213 HydrophobicContact CG1-CB 4.35Å; L211-Q213 PolarHBondContact O-N 2.73Å; Q213-S240 PolarHBondContact O-OG 3.2Å
214	S	98	Very high	98	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	15%	0.153	C	C	.	.			trans	-53.5	138.7	176.1	45.6	0	0	0	0	112.2	K188 T254 D256	K188-S214 PolarHBondContact NZ-O 2.82Å; S214-T254 WeakPolarHBondContact CB-O 3.26Å; S214-T254 PolarHBondContact N-O 3.12Å; S214-T254 PolarHBondContact OG-O 3.33Å; S214-T254 VanDerWaalsContact OG-O 3.11Å; S214-D256 PolarHBondContact OG-OD2 2.91Å
215	V	98.7	Very high	97.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122	156.4	172.8	0	0	0	0	106	V210 E219 M220 F228 V238 L260	V210-V215 HydrophobicContact CB-CG2 4.01Å; V210-V215 HydrophobicContact CG1-CG2 3.72Å; V210-V215 HydrophobicContact CG2-CG2 4.45Å; V215-E219 WeakPolarHBondContact CA-OE2 3.23Å; V215-M220 HydrophobicContact CG1-CE 3.33Å; V215-M220 HydrophobicContact CG1-CG 4.22Å; V215-M220 HydrophobicContact CG1-SD 3.9Å; V215-F228 HydrophobicContact CB-CE2 4.3Å; V215-F228 HydrophobicContact CG1-CD2 4.12Å; V215-F228 HydrophobicContact CG1-CE2 4.37Å; V215-V238 HydrophobicContact CG1-CG1 4.39Å; V215-V238 HydrophobicContact CG2-CG1 3.9Å; V215-L260 PolarHBondContact O-N 3.32Å
216	T	98.4	Very high	97.6	Very high	11 Å²	11	31 Å²	31	7%	0.067	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	158.3	-174.6	73.9	0	0	0	0	112.6	Q218 E219 M220 D256 E257 G258	T216-Q218 PolarHBondContact O-N 2.79Å; T216-Q218 PolarHBondContact OG1-N 3.14Å; T216-E219 PolarHBondContact N-OE2 3.36Å; T216-E219 PolarHBondContact O-N 2.98Å; T216-E219 VanDerWaalsContact O-N 3.14Å; T216-E219 WeakPolarHBondContact OG1-CG 3.4Å; T216-E219 PolarHBondContact OG1-N 2.85Å; T216-E219 VanDerWaalsContact OG1-N 3.14Å; T216-M220 WeakPolarHBondContact O-CG 3.26Å; T216-M220 PolarHBondContact O-N 2.89Å; T216-D256 HydrophobicContact CG2-CB 3.89Å; T216-E257 WeakPolarHBondContact CG2-O 3.38Å; T216-G258 CarbonylContact C-O 3.47Å; T216-G258 VanDerWaalsContact CA-O 3.24Å; T216-G258 WeakPolarHBondContact CA-O 3.09Å; T216-G258 WeakPolarHBondContact CB-O 3.37Å
217	Q	97.9	Very high	97.5	Very high	90 Å²	90	38 Å²	38	42%	0.421	19%	0.192	S	C	.	.	H	α-helix	trans	-57.8	-36.9	172.2	-175.8	59.7	62.1	0	0	111.8	M220 N221 G258 L260	Q217-M220 PolarHBondContact O-N 3.37Å; Q217-N221 PolarHBondContact NE2-OD1 3.4Å; Q217-N221 PolarHBondContact O-N 3.25Å; Q217-N221 PolarHBondContact O-ND2 3.1Å; Q217-N221 PolarHBondContact O-OD1 3.43Å; Q217-G258 PolarHBondContact N-O 3.33Å; Q217-L260 HydrophobicContact CB-CD2 4.31Å
218	Q	98.1	Very high	97.5	Very high	109 Å²	109	39.4 Å²	39.4	51%	0.509	20%	0.198	S	C	.	.	H	α-helix	trans	-62.6	-44.1	176.3	-176.9	57.8	44.9	0	0	111.1	T216 M220 N221 D222	T216-Q218 PolarHBondContact O-N 2.79Å; T216-Q218 PolarHBondContact OG1-N 3.14Å; Q218-M220 VanDerWaalsContact C-N 3.31Å; Q218-M220 PolarHBondContact O-N 3.1Å; Q218-N221 WeakPolarHBondContact O-CB 3.23Å; Q218-N221 PolarHBondContact O-N 2.94Å; Q218-N221 VanDerWaalsContact O-N 3.13Å; Q218-D222 PolarHBondContact NE2-OD1 3.14Å; Q218-D222 PolarHBondContact NE2-OD2 3.29Å; Q218-D222 VanDerWaalsContact O-CG 3.28Å; Q218-D222 PolarHBondContact O-N 2.87Å
219	E	98	Very high	97.5	Very high	43 Å²	43	39.4 Å²	39.4	20%	0.201	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-36.6	176.8	-70.2	173.6	141.7	0	0	112.6	K188 Y192 V215 T216 D222 N223	K188-E219 VanDerWaalsContact CE-CD 3.46Å; K188-E219 WeakPolarHBondContact CE-OE1 3.46Å; K188-E219 VanDerWaalsContact CE-OE2 3.3Å; K188-E219 WeakPolarHBondContact CE-OE2 3.4Å; K188-E219 IonicContact NZ-OE1 3.74Å; K188-E219 PolarHBondContact NZ-OE1 2.75Å; K188-E219 IonicContact NZ-OE2 3.84Å; K188-E219 PolarHBondContact NZ-OE2 3.26Å; Y192-E219 HydrophobicContact CE2-CB 4.01Å; Y192-E219 HydrophobicContact CE2-CG 4.19Å; V215-E219 WeakPolarHBondContact CA-OE2 3.23Å; T216-E219 PolarHBondContact N-OE2 3.36Å; T216-E219 PolarHBondContact O-N 2.98Å; T216-E219 VanDerWaalsContact O-N 3.14Å; T216-E219 WeakPolarHBondContact OG1-CG 3.4Å; T216-E219 PolarHBondContact OG1-N 2.85Å; T216-E219 VanDerWaalsContact OG1-N 3.14Å; E219-D222 PolarHBondContact O-N 3.26Å; E219-N223 WeakPolarHBondContact O-CB 3.32Å; E219-N223 PolarHBondContact O-N 3.33Å; E219-N223 VanDerWaalsContact O-N 3.15Å; E219-N223 PolarHBondContact O-ND2 3.03Å
220	M	97.9	Very high	97.5	Very high	15 Å²	15	44.2 Å²	44.2	7%	0.074	23%	0.227	C	C	.	.	H	α-helix	trans	-65.1	-40.2	172.7	-63.4	-63.4	87.4	0	0	111.8	Y192 V215 T216 Q217 Q218 N223 V226 F228 L260	Y192-M220 HydrophobicContact CE1-CE 3.96Å; Y192-M220 WeakPolarHBondContact OH-CE 3.3Å; V215-M220 HydrophobicContact CG1-CE 3.33Å; V215-M220 HydrophobicContact CG1-CG 4.22Å; V215-M220 HydrophobicContact CG1-SD 3.9Å; T216-M220 WeakPolarHBondContact O-CG 3.26Å; T216-M220 PolarHBondContact O-N 2.89Å; Q217-M220 PolarHBondContact O-N 3.37Å; Q218-M220 VanDerWaalsContact C-N 3.31Å; Q218-M220 PolarHBondContact O-N 3.1Å; M220-N223 CarbonylContact O-C 3.58Å; M220-N223 PolarHBondContact O-N 2.77Å; M220-V226 HydrophobicContact CE-CG2 3.82Å; M220-V226 HydrophobicContact SD-CG2 4.43Å; M220-F228 HydrophobicContact CG-CB 4.31Å; M220-F228 HydrophobicContact SD-CB 4.05Å; M220-F228 HydrophobicContact SD-CD2 4.49Å; M220-L260 HydrophobicContact CG-CD1 3.79Å
221	N	97.7	Very high	97.5	Very high	97 Å²	97	44.8 Å²	44.8	52%	0.519	23%	0.233	S	C	.	.	H	α-helix	trans	-65.1	-39.1	176.7	-64.8	-15.1	0	0	0	112	Q217 Q218 N223	Q217-N221 PolarHBondContact NE2-OD1 3.4Å; Q217-N221 PolarHBondContact O-N 3.25Å; Q217-N221 PolarHBondContact O-ND2 3.1Å; Q217-N221 PolarHBondContact O-OD1 3.43Å; Q218-N221 WeakPolarHBondContact O-CB 3.23Å; Q218-N221 PolarHBondContact O-N 2.94Å; Q218-N221 VanDerWaalsContact O-N 3.13Å; N221-N223 VanDerWaalsContact C-N 3.28Å; N221-N223 PolarHBondContact O-N 2.76Å
222	D	97.6	Very high	97.4	Very high	92 Å²	92	47.2 Å²	47.2	49%	0.492	25%	0.249	S	C	.	.	H	α-helix	trans	-77.4	-13	-178.7	-66.6	-25.4	0	0	0	113.5	Q218 E219	Q218-D222 PolarHBondContact NE2-OD1 3.14Å; Q218-D222 PolarHBondContact NE2-OD2 3.29Å; Q218-D222 VanDerWaalsContact O-CG 3.28Å; Q218-D222 PolarHBondContact O-N 2.87Å; E219-D222 PolarHBondContact O-N 3.26Å
223	N	96.5	Very high	97.5	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.037	27%	0.268	C	S	.	.			trans	-133.5	67.2	-175.2	-61.2	-80.4	0	0	0	111.5	Y192 K196 E219 M220 N221 Q225 V226	Y192-N223 WeakPolarHBondContact CA-OD1 3.41Å; Y192-N223 VanDerWaalsContact CB-OD1 3.31Å; Y192-N223 WeakPolarHBondContact CB-OD1 3.33Å; Y192-N223 HydrophobicContact CD1-CB 3.59Å; Y192-N223 HydrophobicContact CE1-CB 3.92Å; Y192-N223 HydrophobicContact CG-CB 4.35Å; K196-N223 WeakPolarHBondContact CE-OD1 3.47Å; K196-N223 PolarHBondContact NZ-OD1 3.33Å; E219-N223 WeakPolarHBondContact O-CB 3.32Å; E219-N223 PolarHBondContact O-N 3.33Å; E219-N223 VanDerWaalsContact O-N 3.15Å; E219-N223 PolarHBondContact O-ND2 3.03Å; M220-N223 CarbonylContact O-C 3.58Å; M220-N223 PolarHBondContact O-N 2.77Å; N221-N223 VanDerWaalsContact C-N 3.28Å; N221-N223 PolarHBondContact O-N 2.76Å; N223-Q225 PolarHBondContact O-N 2.93Å; N223-V226 HydrophobicContact CB-CG2 4.06Å; N223-V226 VanDerWaalsContact O-CG2 3.31Å; N223-V226 WeakPolarHBondContact O-CG2 3.46Å; N223-V226 PolarHBondContact O-N 2.72Å
224	P	93.8	Very high	97.5	Very high	100 Å²	100	52 Å²	52	65%	0.649	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-11.5	-173.2	28.2	-37	0	0	0	114.6	V226	P224-V226 PolarHBondContact O-N 2.61Å
225	Q	93	Very high	97.5	Very high	62 Å²	62	53.4 Å²	53.4	29%	0.29	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-11.8	172.2	75.3	-76.8	2.4	0	0	113.5	M191 F195 N223	M191-Q225 PolarHBondContact O-NE2 2.78Å; F195-Q225 HydrophobicContact CB-CG 4.31Å; N223-Q225 PolarHBondContact O-N 2.93Å
226	V	94.6	Very high	97.4	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.024	30%	0.297	C	S	.	.	S	Bend	trans	-122.7	154.2	170.8	-61.6	0	0	0	0	110.7	M191 Y192 F195 M205 M220 N223 P224 V238	M191-V226 HydrophobicContact CB-CG1 4.13Å; M191-V226 HydrophobicContact CG-CG1 4.4Å; M191-V226 HydrophobicContact SD-CG1 4.37Å; Y192-V226 HydrophobicContact CD1-CG2 4.29Å; Y192-V226 HydrophobicContact CE1-CG2 3.79Å; F195-V226 HydrophobicContact CD2-CG1 4.16Å; F195-V226 HydrophobicContact CE2-CG1 4.31Å; M205-V226 HydrophobicContact CE-CG1 4.42Å; M220-V226 HydrophobicContact CE-CG2 3.82Å; M220-V226 HydrophobicContact SD-CG2 4.43Å; N223-V226 HydrophobicContact CB-CG2 4.06Å; N223-V226 VanDerWaalsContact O-CG2 3.31Å; N223-V226 WeakPolarHBondContact O-CG2 3.46Å; N223-V226 PolarHBondContact O-N 2.72Å; P224-V226 PolarHBondContact O-N 2.61Å; V226-V238 HydrophobicContact CB-CG2 4.08Å; V226-V238 HydrophobicContact CG2-CG2 4.37Å
227	K	97.3	Very high	97.4	Very high	146 Å²	146	54.5 Å²	54.5	64%	0.635	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	148.2	-179.5	-61.5	174.6	-172.2	169.8	0	109.8	V237 V238	K227-V237 HydrophobicContact CB-CG1 4.41Å; K227-V237 CarbonylContact O-C 3.59Å; K227-V237 VanDerWaalsContact O-CA 3.24Å; K227-V237 WeakPolarHBondContact O-CA 3.37Å; K227-V238 PolarHBondContact O-N 3.03Å
228	F	98.6	Very high	97.5	Very high	29 Å²	29	50.2 Å²	50.2	13%	0.127	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	144	172	-158.8	-101.7	0	0	0	110.4	V215 M220 V238 L260 I262 T269	V215-F228 HydrophobicContact CB-CE2 4.3Å; V215-F228 HydrophobicContact CG1-CD2 4.12Å; V215-F228 HydrophobicContact CG1-CE2 4.37Å; M220-F228 HydrophobicContact CG-CB 4.31Å; M220-F228 HydrophobicContact SD-CB 4.05Å; M220-F228 HydrophobicContact SD-CD2 4.49Å; F228-V238 HydrophobicContact CD2-CB 4.49Å; F228-L260 HydrophobicContact CB-CD1 3.87Å; F228-L260 HydrophobicContact CD1-CB 4.03Å; F228-L260 HydrophobicContact CD1-CD1 4.2Å; F228-L260 HydrophobicContact CD2-CB 3.9Å; F228-L260 HydrophobicContact CD2-CD1 3.88Å; F228-L260 HydrophobicContact CE1-CB 3.8Å; F228-L260 HydrophobicContact CE2-CB 3.66Å; F228-L260 HydrophobicContact CE2-CD1 4.5Å; F228-L260 HydrophobicContact CG-CB 4.08Å; F228-L260 HydrophobicContact CG-CD1 3.71Å; F228-L260 HydrophobicContact CZ-CB 3.61Å; F228-I262 HydrophobicContact CE1-CB 4.14Å; F228-I262 HydrophobicContact CE1-CG2 4.44Å; F228-I262 HydrophobicContact CZ-CG2 4.38Å; F228-T269 HydrophobicContact CD1-CG2 4.5Å; F228-T269 HydrophobicContact CE1-CG2 4.27Å
229	A	98.7	Very high	97.5	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.251	C	S	.	.			trans	-66.7	144.2	176.7	0	0	0	0	0	111.5	V237 V238 I239 I262 T269	A229-V237 HydrophobicContact CB-CB 3.95Å; A229-V237 HydrophobicContact CB-CG2 3.75Å; A229-V238 WeakPolarHBondContact CB-O 3.5Å; A229-V238 PolarHBondContact N-O 2.66Å; A229-I239 HydrophobicContact CB-CG1 4.06Å; A229-I262 HydrophobicContact CB-CD1 3.76Å; A229-T269 WeakPolarHBondContact O-CG2 3.3Å
230	T	98.2	Very high	97.5	Very high	101 Å²	101	43 Å²	43	62%	0.62	24%	0.242	S	C	*	.			trans	-123.6	-12.7	178.3	62.5	0	0	0	0	113.1	D234	T230-D234 WeakPolarHBondContact CA-OD2 3.37Å; T230-D234 PolarHBondContact N-OD2 3.02Å; T230-D234 PolarHBondContact OG1-OD2 2.8Å
231	G	98.5	Very high	97.6	Very high	12 Å²	12	42.3 Å²	42.3	12%	0.124	24%	0.238	C	C	.	.	S	Bend	trans	-159.6	179.5	178.1	0	0	0	0	0	114.2	D233 D234 R353	G231-D233 VanDerWaalsContact C-N 3.35Å; G231-D233 PolarHBondContact O-N 3.26Å; G231-D234 PolarHBondContact N-OD2 3.33Å; G231-R353 PolarHBondContact O-NH2 2.71Å
232	P	98.4	Very high	97.6	Very high	52 Å²	52	37.8 Å²	37.8	34%	0.338	21%	0.214	S	C	.	.	S	Bend	trans	-70.9	-28.4	-175.6	27.3	-34	0	0	0	113.6	W267 N349 N352	P232-W267 HydrophobicContact CB-CB 3.9Å; P232-W267 HydrophobicContact CB-CG 3.88Å; P232-W267 HydrophobicContact CG-CB 4.45Å; P232-N349 PolarHBondContact O-ND2 2.83Å; P232-N352 PolarHBondContact O-ND2 2.89Å
233	D	98.6	Very high	97.7	Very high	75 Å²	75	33.4 Å²	33.4	40%	0.401	19%	0.191	S	C	.	.	S	Bend	trans	-96.6	-8	-170.9	-59.8	-30.2	0	0	0	113.8	G231 T235 N352 Q356	G231-D233 VanDerWaalsContact C-N 3.35Å; G231-D233 PolarHBondContact O-N 3.26Å; D233-T235 PolarHBondContact O-N 2.94Å; D233-N352 PolarHBondContact OD1-ND2 2.71Å; D233-Q356 HydrophobicContact CB-CG 3.97Å
234	D	98.2	Very high	97.8	Very high	45 Å²	45	33.2 Å²	33.2	24%	0.241	19%	0.19	C	C	.	.			trans	-60.8	136.6	-177.9	-65.6	-17.7	0	0	0	111.1	T230 G231 V237 R353	T230-D234 WeakPolarHBondContact CA-OD2 3.37Å; T230-D234 PolarHBondContact N-OD2 3.02Å; T230-D234 PolarHBondContact OG1-OD2 2.8Å; G231-D234 PolarHBondContact N-OD2 3.33Å; D234-V237 HydrophobicContact CB-CB 4.32Å; D234-V237 HydrophobicContact CB-CG1 3.74Å; D234-V237 HydrophobicContact CB-CG2 3.71Å; D234-V237 WeakPolarHBondContact O-CG2 3.46Å; D234-R353 WeakPolarHBondContact O-CD 3.43Å; D234-R353 WeakPolarHBondContact O-CG 3.22Å; D234-R353 PolarHBondContact O-NE 2.82Å
235	T	98	Very high	98	Very high	31 Å²	31	28.5 Å²	28.5	19%	0.19	16%	0.16	C	C	.	.			trans	-120.7	160.4	173.9	64	0	0	0	0	110.9	I206 D233 V237 R353 Q356	I206-T235 CarbonylContact O-C 3.51Å; I206-T235 WeakPolarHBondContact O-CA 3.45Å; D233-T235 PolarHBondContact O-N 2.94Å; T235-V237 PolarHBondContact O-N 3.4Å; T235-R353 WeakPolarHBondContact CG2-O 3.46Å; T235-Q356 HydrophobicContact CG2-CB 3.77Å
236	G	97.3	Very high	98.3	Very high	26 Å²	26	29.7 Å²	29.7	27%	0.268	17%	0.173	S	C	.	.	S	Bend	trans	67.2	23.7	-171.4	0	0	0	0	0	113.2	M205 I206	M205-G236 WeakPolarHBondContact O-CA 3.28Å; M205-G236 PolarHBondContact O-N 3.13Å; I206-G236 PolarHBondContact O-N 3.46Å
237	V	98.6	Very high	98.4	Very high	8 Å²	8	34 Å²	34	5%	0.048	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	160.2	-171.7	-68.3	0	0	0	0	114.1	A207 A208 K227 A229 D234 T235 I239	A207-V237 CarbonylContact C-O 3.5Å; A207-V237 WeakPolarHBondContact CA-O 3.31Å; A208-V237 PolarHBondContact N-O 2.9Å; K227-V237 HydrophobicContact CB-CG1 4.41Å; K227-V237 CarbonylContact O-C 3.59Å; K227-V237 VanDerWaalsContact O-CA 3.24Å; K227-V237 WeakPolarHBondContact O-CA 3.37Å; A229-V237 HydrophobicContact CB-CB 3.95Å; A229-V237 HydrophobicContact CB-CG2 3.75Å; D234-V237 HydrophobicContact CB-CB 4.32Å; D234-V237 HydrophobicContact CB-CG1 3.74Å; D234-V237 HydrophobicContact CB-CG2 3.71Å; D234-V237 WeakPolarHBondContact O-CG2 3.46Å; T235-V237 PolarHBondContact O-N 3.4Å; V237-I239 HydrophobicContact CG2-CD1 4.31Å
238	V	98.9	Very high	98.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.6	175.1	-171.5	0	0	0	0	110.2	M191 A208 V210 V215 V226 K227 F228 A229	M191-V238 HydrophobicContact CE-CG1 4.14Å; M191-V238 HydrophobicContact CE-CG2 4.15Å; M191-V238 HydrophobicContact SD-CG1 4.43Å; M191-V238 HydrophobicContact SD-CG2 3.58Å; M191-V238 VanDerWaalsContact SD-CG2 3.58Å; A208-V238 HydrophobicContact CB-CG2 4.43Å; A208-V238 CarbonylContact O-C 3.52Å; A208-V238 WeakPolarHBondContact O-CA 3.39Å; V210-V238 HydrophobicContact CB-CG1 4.22Å; V210-V238 HydrophobicContact CG2-CG1 3.71Å; V215-V238 HydrophobicContact CG1-CG1 4.39Å; V215-V238 HydrophobicContact CG2-CG1 3.9Å; V226-V238 HydrophobicContact CB-CG2 4.08Å; V226-V238 HydrophobicContact CG2-CG2 4.37Å; K227-V238 PolarHBondContact O-N 3.03Å; F228-V238 HydrophobicContact CD2-CB 4.49Å; A229-V238 WeakPolarHBondContact CB-O 3.5Å; A229-V238 PolarHBondContact N-O 2.66Å
239	I	98.9	Very high	98.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.8	177.4	-59.9	93.4	0	0	0	106.5	A207 A208 Y209 V210 L211 A229 V237 Y241 I262 W267	A207-I239 HydrophobicContact CB-CD1 3.82Å; A208-I239 PolarHBondContact O-N 3.33Å; Y209-I239 HydrophobicContact CD1-CB 4.01Å; Y209-I239 HydrophobicContact CD1-CD1 4.26Å; Y209-I239 HydrophobicContact CD1-CG1 4.34Å; Y209-I239 HydrophobicContact CD1-CG2 4Å; Y209-I239 HydrophobicContact CE1-CB 4.37Å; Y209-I239 HydrophobicContact CE1-CD1 4.13Å; Y209-I239 HydrophobicContact CE1-CG1 4.25Å; Y209-I239 HydrophobicContact CE1-CG2 4.32Å; Y209-I239 HydrophobicContact CE2-CD1 4.4Å; Y209-I239 HydrophobicContact CG-CD1 4.45Å; V210-I239 PolarHBondContact N-O 3.42Å; L211-I239 HydrophobicContact CD2-CG2 4.42Å; A229-I239 HydrophobicContact CB-CG1 4.06Å; V237-I239 HydrophobicContact CG2-CD1 4.31Å; I239-Y241 HydrophobicContact CG2-CE1 4.37Å; I239-I262 HydrophobicContact CB-CG2 4.44Å; I239-I262 HydrophobicContact CG2-CG2 3.68Å; I239-W267 HydrophobicContact CG2-CZ3 4.11Å
240	S	98.8	Very high	98.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	145.2	178.5	-177.6	0	0	0	0	110.5	V210 Q213 A261 I262	V210-S240 VanDerWaalsContact O-CA 3.3Å; V210-S240 WeakPolarHBondContact O-CA 3.36Å; V210-S240 WeakPolarHBondContact O-CB 3.39Å; V210-S240 PolarHBondContact O-OG 3.25Å; Q213-S240 PolarHBondContact O-OG 3.2Å; S240-A261 WeakPolarHBondContact O-CA 3.44Å; S240-I262 PolarHBondContact O-N 3.27Å
241	Y	98.9	Very high	98	Very high	1 Å²	1	33 Å²	33	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	158.7	166.8	52.7	-93.5	0	0	0	109.3	L211 G212 I239 P264 V309 D338 Y342	L211-Y241 HydrophobicContact CD2-CD1 4.07Å; L211-Y241 HydrophobicContact CD2-CE1 3.5Å; L211-Y241 HydrophobicContact CD2-CE2 4.48Å; G212-Y241 PolarHBondContact N-O 2.94Å; I239-Y241 HydrophobicContact CG2-CE1 4.37Å; Y241-P264 HydrophobicContact CD1-CB 4.33Å; Y241-P264 HydrophobicContact CE1-CB 3.64Å; Y241-P264 HydrophobicContact CE1-CG 4.22Å; Y241-P264 HydrophobicContact CE2-CB 4.43Å; Y241-P264 HydrophobicContact CE2-CG 4.33Å; Y241-V309 VanDerWaalsContact CB-CG2 3.5Å; Y241-V309 HydrophobicContact CD2-CG2 4.4Å; Y241-V309 HydrophobicContact CG-CG2 4.03Å; Y241-D338 HydrophobicContact CE2-CB 4.09Å; Y241-D338 VanDerWaalsContact CE2-O 3.28Å; Y241-D338 WeakPolarHBondContact CE2-O 3.42Å; Y241-D338 PolarHBondContact OH-O 2.96Å; Y241-D338 VanDerWaalsContact OH-O 3.11Å; Y241-Y342 HydrophobicContact CE2-CD2 4.04Å; Y241-Y342 HydrophobicContact CE2-CE2 4.28Å
242	N	98.8	Very high	97.8	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.011	20%	0.202	C	C	.	.			trans	-123	139.4	161.1	-67.9	-104.3	0	0	0	107.3	G212 L252 T254 L308 V309	G212-N242 WeakPolarHBondContact CA-OD1 3.3Å; G212-N242 PolarHBondContact O-OD1 2.96Å; N242-L252 HydrophobicContact CB-CD1 3.57Å; N242-T254 PolarHBondContact OD1-OG1 3.22Å; N242-L308 HydrophobicContact CB-CD2 3.87Å; N242-V309 PolarHBondContact O-N 3.45Å
243	T	98.9	Very high	97.6	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.5	-174	-55.1	0	0	0	0	112.4	V309 F334 D338 F341 Y342	T243-V309 CarbonylContact C-O 3.58Å; T243-V309 VanDerWaalsContact CA-O 3.24Å; T243-V309 WeakPolarHBondContact CA-O 3.27Å; T243-V309 HydrophobicContact CG2-CG1 4.34Å; T243-F334 HydrophobicContact CG2-CB 4.12Å; T243-F334 HydrophobicContact CG2-CD2 4.11Å; T243-F334 WeakPolarHBondContact O-CA 3.42Å; T243-F334 WeakPolarHBondContact O-CB 3.28Å; T243-F334 PolarHBondContact O-N 3.18Å; T243-D338 WeakPolarHBondContact CB-OD1 3.3Å; T243-D338 PolarHBondContact N-OD1 2.92Å; T243-D338 PolarHBondContact OG1-OD1 3.04Å; T243-F341 HydrophobicContact CG2-CD2 4.03Å; T243-F341 HydrophobicContact CG2-CE2 4.31Å; T243-Y342 HydrophobicContact CG2-CE2 4.27Å
244	V	98.9	Very high	97.4	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.024	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	160.9	-177.6	-57.6	0	0	0	0	112.3	F248 L252 L308 V309 V310 S311 G332 F334	V244-F248 HydrophobicContact CB-CB 3.71Å; V244-F248 HydrophobicContact CB-CD1 3.84Å; V244-F248 HydrophobicContact CB-CD2 4.28Å; V244-F248 HydrophobicContact CB-CG 3.69Å; V244-F248 HydrophobicContact CG1-CB 4.42Å; V244-F248 HydrophobicContact CG1-CD1 3.64Å; V244-F248 HydrophobicContact CG1-CD2 4.22Å; V244-F248 HydrophobicContact CG1-CE1 3.88Å; V244-F248 HydrophobicContact CG1-CE2 4.45Å; V244-F248 HydrophobicContact CG1-CG 3.84Å; V244-F248 HydrophobicContact CG1-CZ 4.31Å; V244-F248 HydrophobicContact CG2-CB 3.98Å; V244-F248 HydrophobicContact CG2-CD1 4.04Å; V244-F248 HydrophobicContact CG2-CG 4.2Å; V244-L252 HydrophobicContact CG1-CD1 3.91Å; V244-L252 HydrophobicContact CG1-CD2 4.5Å; V244-L252 HydrophobicContact CG1-CG 4.46Å; V244-L308 HydrophobicContact CG1-CD1 4.27Å; V244-L308 HydrophobicContact CG2-CB 4.22Å; V244-L308 HydrophobicContact CG2-CD1 4.19Å; V244-V309 PolarHBondContact N-O 3.13Å; V244-V310 HydrophobicContact CG2-CG2 4.2Å; V244-V310 WeakPolarHBondContact O-CA 3.46Å; V244-S311 PolarHBondContact O-N 2.9Å; V244-G332 CarbonylContact C-O 3.53Å; V244-G332 WeakPolarHBondContact CA-O 3.32Å; V244-F334 VanDerWaalsContact C-CD2 3.41Å
245	A	98.7	Very high	97.3	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	17%	0.171	C	C	.	.			trans	-74.9	159.4	171.8	0	0	0	0	0	111.7	D247 F248 K316 G332 F334	A245-D247 PolarHBondContact O-N 3.49Å; A245-F248 WeakPolarHBondContact O-CB 3.24Å; A245-F248 PolarHBondContact O-N 2.74Å; A245-K316 HydrophobicContact CB-CD 3.92Å; A245-K316 HydrophobicContact CB-CG 4.22Å; A245-G332 PolarHBondContact N-O 3.01Å; A245-F334 VanDerWaalsContact CA-CE2 3.5Å; A245-F334 HydrophobicContact CB-CE2 3.67Å; A245-F334 HydrophobicContact CB-CZ 3.72Å
246	P	98.3	Very high	97.2	Very high	87 Å²	87	28.5 Å²	28.5	57%	0.565	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.1	-176.7	-23.2	35.1	0	0	0	114.5	F248 V310 S311 S312	P246-F248 VanDerWaalsContact C-N 3.34Å; P246-V310 HydrophobicContact CB-CG1 4.03Å; P246-V310 HydrophobicContact CG-CG1 3.85Å; P246-S311 WeakPolarHBondContact CD-O 3.5Å; P246-S312 VanDerWaalsContact CG-CB 3.46Å
247	D	97.1	Very high	97.2	Very high	95 Å²	95	35.4 Å²	35.4	51%	0.508	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	10.4	179	69.6	-18.4	0	0	0	113.2	A245 T249 K316	A245-D247 PolarHBondContact O-N 3.49Å; D247-T249 PolarHBondContact O-N 3.26Å; D247-K316 IonicContact OD1-NZ 2.9Å; D247-K316 PolarHBondContact OD1-NZ 3.11Å; D247-K316 IonicContact OD2-NZ 2.71Å; D247-K316 PolarHBondContact OD2-NZ 3.3Å
248	F	98.1	Very high	97.1	Very high	9 Å²	9	37 Å²	37	4%	0.039	22%	0.217	C	C	.	.			trans	-69.6	112.3	-179	-179.3	-98.1	0	0	0	112	V244 A245 P246 G250 L252 R306 L308 P330 A331	V244-F248 HydrophobicContact CB-CB 3.71Å; V244-F248 HydrophobicContact CB-CD1 3.84Å; V244-F248 HydrophobicContact CB-CD2 4.28Å; V244-F248 HydrophobicContact CB-CG 3.69Å; V244-F248 HydrophobicContact CG1-CB 4.42Å; V244-F248 HydrophobicContact CG1-CD1 3.64Å; V244-F248 HydrophobicContact CG1-CD2 4.22Å; V244-F248 HydrophobicContact CG1-CE1 3.88Å; V244-F248 HydrophobicContact CG1-CE2 4.45Å; V244-F248 HydrophobicContact CG1-CG 3.84Å; V244-F248 HydrophobicContact CG1-CZ 4.31Å; V244-F248 HydrophobicContact CG2-CB 3.98Å; V244-F248 HydrophobicContact CG2-CD1 4.04Å; V244-F248 HydrophobicContact CG2-CG 4.2Å; A245-F248 WeakPolarHBondContact O-CB 3.24Å; A245-F248 PolarHBondContact O-N 2.74Å; P246-F248 VanDerWaalsContact C-N 3.34Å; F248-G250 WeakPolarHBondContact CE1-O 3.31Å; F248-G250 VanDerWaalsContact CZ-O 3.25Å; F248-G250 WeakPolarHBondContact CZ-O 3.5Å; F248-L252 HydrophobicContact CE1-CD2 4.26Å; F248-L252 HydrophobicContact CE1-CG 4.06Å; F248-L252 HydrophobicContact CE2-CD2 3.88Å; F248-L252 HydrophobicContact CZ-CD2 3.46Å; F248-L252 VanDerWaalsContact CZ-CD2 3.46Å; F248-L252 HydrophobicContact CZ-CG 3.68Å; F248-R306 PolarHBondContact O-NH1 2.78Å; F248-L308 HydrophobicContact CD1-CD1 4.3Å; F248-L308 HydrophobicContact CE1-CD1 4.27Å; F248-P330 HydrophobicContact CE2-CB 3.89Å; F248-P330 HydrophobicContact CE2-CG 4.26Å; F248-P330 HydrophobicContact CZ-CB 4.48Å; F248-P330 HydrophobicContact CZ-CG 4.42Å; F248-A331 VanDerWaalsContact CD2-O 3.25Å; F248-A331 WeakPolarHBondContact CD2-O 3.25Å
249	T	95.5	Very high	97.1	Very high	135 Å²	135	37.4 Å²	37.4	83%	0.828	22%	0.221	S	C	*	.			trans	-114.3	-4.4	179.7	52.3	0	0	0	0	113.9	D247	D247-T249 PolarHBondContact O-N 3.26Å
250	G	95	Very high	97.1	Very high	20 Å²	20	39.2 Å²	39.2	21%	0.206	23%	0.23	C	C	.	.	S	Bend	trans	-79.6	-179.3	-179.5	0	0	0	0	0	113.7	F248 R306	F248-G250 WeakPolarHBondContact CE1-O 3.31Å; F248-G250 VanDerWaalsContact CZ-O 3.25Å; F248-G250 WeakPolarHBondContact CZ-O 3.5Å; G250-R306 PolarHBondContact O-NH2 3.11Å
251	T	95	Very high	97.1	Very high	90 Å²	90	39.6 Å²	39.6	55%	0.552	23%	0.233	S	C	*	.			trans	-108.9	127.4	173.4	-58.4	0	0	0	0	109.4	W255	T251-W255 HydrophobicContact CG2-CE3 3.71Å; T251-W255 HydrophobicContact CG2-CZ3 4.08Å
252	L	95.3	Very high	97.1	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	23%	0.233	C	C	.	.			trans	-76.8	143.2	174.9	-60.4	174.6	0	0	0	110.2	N242 V244 F248 T254 W255 L308 F329 S333	N242-L252 HydrophobicContact CB-CD1 3.57Å; V244-L252 HydrophobicContact CG1-CD1 3.91Å; V244-L252 HydrophobicContact CG1-CD2 4.5Å; V244-L252 HydrophobicContact CG1-CG 4.46Å; F248-L252 HydrophobicContact CE1-CD2 4.26Å; F248-L252 HydrophobicContact CE1-CG 4.06Å; F248-L252 HydrophobicContact CE2-CD2 3.88Å; F248-L252 HydrophobicContact CZ-CD2 3.46Å; F248-L252 VanDerWaalsContact CZ-CD2 3.46Å; F248-L252 HydrophobicContact CZ-CG 3.68Å; L252-T254 PolarHBondContact O-N 3.2Å; L252-W255 HydrophobicContact CB-CB 3.75Å; L252-W255 PolarHBondContact O-N 3.46Å; L252-W255 VanDerWaalsContact O-N 3.14Å; L252-L308 HydrophobicContact CD1-CD2 3.95Å; L252-F329 HydrophobicContact CD2-CD1 4.24Å; L252-S333 VanDerWaalsContact CD2-OG 3.31Å; L252-S333 WeakPolarHBondContact CD2-OG 3.41Å
253	P	93.3	Very high	97.1	Very high	18 Å²	18	39.4 Å²	39.4	12%	0.117	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.1	174.7	29.2	-35.4	0	0	0	112.3	L139 K143 I328 F329	L139-P253 HydrophobicContact CB-CB 4.48Å; L139-P253 HydrophobicContact CD1-CB 4.19Å; L139-P253 HydrophobicContact CD1-CG 3.99Å; L139-P253 HydrophobicContact CD2-CB 4Å; L139-P253 HydrophobicContact CG-CB 4.43Å; K143-P253 PolarHBondContact NZ-O 2.76Å; P253-I328 HydrophobicContact CB-CG2 4.46Å; P253-I328 WeakPolarHBondContact CD-O 3.49Å; P253-I328 HydrophobicContact CG-CG2 3.92Å; P253-F329 HydrophobicContact CG-CD1 4.01Å; P253-F329 HydrophobicContact CG-CE1 3.58Å; P253-F329 HydrophobicContact CG-CE2 4.22Å; P253-F329 HydrophobicContact CG-CZ 3.7Å
254	T	94.7	Very high	97.1	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.025	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	7.1	176.6	54.4	0	0	0	0	113.4	G212 S214 N242 L252	G212-T254 VanDerWaalsContact O-CB 3.26Å; G212-T254 WeakPolarHBondContact O-CB 3.39Å; G212-T254 WeakPolarHBondContact O-CG2 3.24Å; S214-T254 WeakPolarHBondContact CB-O 3.26Å; S214-T254 PolarHBondContact N-O 3.12Å; S214-T254 PolarHBondContact OG-O 3.33Å; S214-T254 VanDerWaalsContact OG-O 3.11Å; N242-T254 PolarHBondContact OD1-OG1 3.22Å; L252-T254 PolarHBondContact O-N 3.2Å
255	W	96.5	Very high	97.1	Very high	49 Å²	49	39.9 Å²	39.9	19%	0.186	23%	0.234	C	C	.	.			trans	-110.3	143.3	177.6	177.6	88.9	0	0	0	110.9	K143 T251 L252 E257 R306 L308	K143-W255 PolarHBondContact NZ-O 2.83Å; T251-W255 HydrophobicContact CG2-CE3 3.71Å; T251-W255 HydrophobicContact CG2-CZ3 4.08Å; L252-W255 HydrophobicContact CB-CB 3.75Å; L252-W255 PolarHBondContact O-N 3.46Å; L252-W255 VanDerWaalsContact O-N 3.14Å; W255-E257 HydrophobicContact CH2-CB 4.35Å; W255-R306 PolarHBondContact NE1-O 3.01Å; W255-L308 HydrophobicContact CG-CD2 4.47Å
256	D	96.5	Very high	97.1	Very high	46 Å²	46	41.6 Å²	41.6	25%	0.246	24%	0.244	C	C	.	.			trans	-133.3	154.8	173.6	-58	-56.7	0	0	0	108.9	K143 S214 T216 A259	K143-D256 WeakPolarHBondContact CE-OD1 3.4Å; K143-D256 IonicContact NZ-OD1 2.96Å; K143-D256 PolarHBondContact NZ-OD1 3.21Å; S214-D256 PolarHBondContact OG-OD2 2.91Å; T216-D256 HydrophobicContact CG2-CB 3.89Å; D256-A259 WeakPolarHBondContact O-CB 3.34Å; D256-A259 PolarHBondContact O-N 3.28Å
257	E	96.5	Very high	97.1	Very high	172 Å²	172	38.2 Å²	38.2	80%	0.804	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	141.1	178.8	-174.1	174.4	-176.4	0	0	111.6	T216 W255 A259	T216-E257 WeakPolarHBondContact CG2-O 3.38Å; W255-E257 HydrophobicContact CH2-CB 4.35Å; E257-A259 VanDerWaalsContact C-N 3.29Å
258	G	97.8	Very high	97.2	Very high	41 Å²	41	39.1 Å²	39.1	42%	0.423	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	16.6	-175.6	0	0	0	0	0	114.1	T216 Q217	T216-G258 CarbonylContact C-O 3.47Å; T216-G258 VanDerWaalsContact CA-O 3.24Å; T216-G258 WeakPolarHBondContact CA-O 3.09Å; T216-G258 WeakPolarHBondContact CB-O 3.37Å; Q217-G258 PolarHBondContact N-O 3.33Å
259	A	98.6	Very high	97.2	Very high	9 Å²	9	41.6 Å²	41.6	7%	0.074	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	138.5	170.9	0	0	0	0	0	111.6	D256 E257 G307	D256-A259 WeakPolarHBondContact O-CB 3.34Å; D256-A259 PolarHBondContact O-N 3.28Å; E257-A259 VanDerWaalsContact C-N 3.29Å; A259-G307 VanDerWaalsContact O-CA 3.3Å; A259-G307 WeakPolarHBondContact O-CA 3.29Å
260	L	98.7	Very high	97.3	Very high	38 Å²	38	38.2 Å²	38.2	20%	0.199	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	148.6	171	-59	175.5	0	0	0	109	V215 Q217 M220 F228	V215-L260 PolarHBondContact O-N 3.32Å; Q217-L260 HydrophobicContact CB-CD2 4.31Å; M220-L260 HydrophobicContact CG-CD1 3.79Å; F228-L260 HydrophobicContact CB-CD1 3.87Å; F228-L260 HydrophobicContact CD1-CB 4.03Å; F228-L260 HydrophobicContact CD1-CD1 4.2Å; F228-L260 HydrophobicContact CD2-CB 3.9Å; F228-L260 HydrophobicContact CD2-CD1 3.88Å; F228-L260 HydrophobicContact CE1-CB 3.8Å; F228-L260 HydrophobicContact CE2-CB 3.66Å; F228-L260 HydrophobicContact CE2-CD1 4.5Å; F228-L260 HydrophobicContact CG-CB 4.08Å; F228-L260 HydrophobicContact CG-CD1 3.71Å; F228-L260 HydrophobicContact CZ-CB 3.61Å
261	A	98.7	Very high	97.4	Very high	7 Å²	7	39.5 Å²	39.5	6%	0.058	22%	0.222	C	C	.	.			trans	-140.8	151.6	174.3	0	0	0	0	0	111.3	S240 V302	S240-A261 WeakPolarHBondContact O-CA 3.44Å; A261-V302 HydrophobicContact CB-CG1 4.05Å; A261-V302 HydrophobicContact CB-CG2 4.33Å
262	I	98.9	Very high	97.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.211	C	C	.	.			trans	-127.9	137	170.9	-174	168.9	0	0	0	108.6	F228 A229 I239 S240 P264 W267 T269	F228-I262 HydrophobicContact CE1-CB 4.14Å; F228-I262 HydrophobicContact CE1-CG2 4.44Å; F228-I262 HydrophobicContact CZ-CG2 4.38Å; A229-I262 HydrophobicContact CB-CD1 3.76Å; I239-I262 HydrophobicContact CB-CG2 4.44Å; I239-I262 HydrophobicContact CG2-CG2 3.68Å; S240-I262 PolarHBondContact O-N 3.27Å; I262-P264 WeakPolarHBondContact O-CD 3.43Å; I262-W267 HydrophobicContact CD1-CB 4.3Å; I262-W267 HydrophobicContact CD1-CE3 4.26Å; I262-W267 WeakPolarHBondContact CD1-O 3.32Å; I262-W267 HydrophobicContact CG1-CE3 4.45Å; I262-T269 HydrophobicContact CB-CG2 4.04Å; I262-T269 HydrophobicContact CD1-CG2 4.28Å; I262-T269 HydrophobicContact CG1-CG2 4.03Å
263	N	98.9	Very high	97.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.235	C	C	.	.			trans	-64.7	121.9	178.3	-175.7	-42.4	0	0	0	109.6	I265 N266 W267 R268 T272 A300 V302	N263-I265 PolarHBondContact O-N 2.76Å; N263-I265 PolarHBondContact OD1-N 3.14Å; N263-N266 WeakPolarHBondContact CB-OD1 3.29Å; N263-N266 PolarHBondContact ND2-OD1 2.89Å; N263-N266 PolarHBondContact OD1-N 3.47Å; N263-W267 WeakPolarHBondContact O-CA 3.19Å; N263-W267 PolarHBondContact O-N 2.68Å; N263-R268 VanDerWaalsContact CB-O 3.24Å; N263-R268 WeakPolarHBondContact CB-O 3.48Å; N263-R268 PolarHBondContact N-O 3.45Å; N263-T272 PolarHBondContact ND2-O 3.25Å; N263-A300 PolarHBondContact ND2-O 3.49Å; N263-A300 WeakPolarHBondContact OD1-CB 3.34Å; N263-V302 HydrophobicContact CB-CG2 4.01Å
264	P	98.9	Very high	98	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-0.1	-174.7	30	-35.3	0	0	0	114.6	Y241 I262 W267 A300 V309 Y342 N345	Y241-P264 HydrophobicContact CD1-CB 4.33Å; Y241-P264 HydrophobicContact CE1-CB 3.64Å; Y241-P264 HydrophobicContact CE1-CG 4.22Å; Y241-P264 HydrophobicContact CE2-CB 4.43Å; Y241-P264 HydrophobicContact CE2-CG 4.33Å; I262-P264 WeakPolarHBondContact O-CD 3.43Å; P264-W267 WeakPolarHBondContact O-CZ2 3.35Å; P264-A300 HydrophobicContact CG-CB 4.23Å; P264-V309 HydrophobicContact CG-CG1 4.45Å; P264-Y342 HydrophobicContact CB-CD1 4.3Å; P264-Y342 HydrophobicContact CB-CD2 3.79Å; P264-Y342 HydrophobicContact CB-CE2 4.44Å; P264-Y342 HydrophobicContact CB-CG 3.7Å; P264-Y342 HydrophobicContact CG-CD1 3.69Å; P264-Y342 HydrophobicContact CG-CD2 3.24Å; P264-Y342 HydrophobicContact CG-CE1 3.86Å; P264-Y342 HydrophobicContact CG-CE2 3.42Å; P264-Y342 VanDerWaalsContact CG-CE2 3.42Å; P264-Y342 HydrophobicContact CG-CG 3.37Å; P264-N345 WeakPolarHBondContact O-CB 3.35Å
265	I	98.9	Very high	98.2	Very high	13 Å²	13	43.4 Å²	43.4	7%	0.067	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-56.4	177.5	-60	171	0	0	0	110.3	N263 W267 A274 E278 N279 A300 Y342	N263-I265 PolarHBondContact O-N 2.76Å; N263-I265 PolarHBondContact OD1-N 3.14Å; I265-W267 PolarHBondContact O-NE1 3.21Å; I265-A274 HydrophobicContact CB-CB 3.54Å; I265-A274 HydrophobicContact CD1-CB 4.07Å; I265-A274 HydrophobicContact CG1-CB 4.38Å; I265-A274 HydrophobicContact CG2-CB 3.59Å; I265-E278 HydrophobicContact CG2-CB 3.85Å; I265-E278 WeakPolarHBondContact CG2-O 3.5Å; I265-N279 HydrophobicContact CD1-CB 3.82Å; I265-N279 HydrophobicContact CG1-CB 4.38Å; I265-A300 HydrophobicContact CD1-CB 3.9Å; I265-A300 HydrophobicContact CG1-CB 4.27Å; I265-Y342 HydrophobicContact CD1-CD1 3.96Å; I265-Y342 HydrophobicContact CD1-CE1 3.86Å; I265-Y342 HydrophobicContact CG1-CD1 3.74Å; I265-Y342 HydrophobicContact CG1-CE1 4.07Å
266	N	98.7	Very high	98.3	Very high	38 Å²	38	41.3 Å²	41.3	20%	0.203	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-3.9	-176.1	71.9	18.6	0	0	0	114	N263 R268 T272 P273 A274	N263-N266 WeakPolarHBondContact CB-OD1 3.29Å; N263-N266 PolarHBondContact ND2-OD1 2.89Å; N263-N266 PolarHBondContact OD1-N 3.47Å; N266-R268 PolarHBondContact O-N 2.95Å; N266-R268 WeakPolarHBondContact OD1-CB 3.46Å; N266-R268 WeakPolarHBondContact OD1-CG 3.17Å; N266-R268 PolarHBondContact OD1-N 3.39Å; N266-T272 PolarHBondContact ND2-O 3.41Å; N266-T272 VanDerWaalsContact ND2-O 3.11Å; N266-P273 PolarHBondContact ND2-O 3.49Å; N266-A274 HydrophobicContact CB-CB 4.04Å
267	W	98.8	Very high	98.4	Very high	15 Å²	15	45.3 Å²	45.3	6%	0.057	26%	0.258	C	S	.	.			trans	58.5	26.7	178.3	-51.3	101	0	0	0	114.8	P232 I239 I262 N263 P264 I265 N345 L346 N349	P232-W267 HydrophobicContact CB-CB 3.9Å; P232-W267 HydrophobicContact CB-CG 3.88Å; P232-W267 HydrophobicContact CG-CB 4.45Å; I239-W267 HydrophobicContact CG2-CZ3 4.11Å; I262-W267 HydrophobicContact CD1-CB 4.3Å; I262-W267 HydrophobicContact CD1-CE3 4.26Å; I262-W267 WeakPolarHBondContact CD1-O 3.32Å; I262-W267 HydrophobicContact CG1-CE3 4.45Å; N263-W267 WeakPolarHBondContact O-CA 3.19Å; N263-W267 PolarHBondContact O-N 2.68Å; P264-W267 WeakPolarHBondContact O-CZ2 3.35Å; I265-W267 PolarHBondContact O-NE1 3.21Å; W267-N345 HydrophobicContact CZ2-CB 4.3Å; W267-N345 WeakPolarHBondContact CZ2-O 3.39Å; W267-L346 HydrophobicContact CH2-CD2 4.16Å; W267-N349 HydrophobicContact CD2-CB 4.37Å; W267-N349 VanDerWaalsContact CE2-CB 3.49Å; W267-N349 HydrophobicContact CH2-CB 3.63Å; W267-N349 WeakPolarHBondContact CH2-OD1 3.26Å; W267-N349 HydrophobicContact CZ2-CB 3.09Å; W267-N349 HydrophobicContact CZ3-CB 4.45Å
268	R	98.6	Very high	98.5	Very high	114 Å²	114	42.1 Å²	42.1	43%	0.43	24%	0.243	S	C	.	.			trans	-95.5	145.6	172.5	-58.2	179.7	67.8	96.9	0	110.8	N263 N266 D270 T272	N263-R268 VanDerWaalsContact CB-O 3.24Å; N263-R268 WeakPolarHBondContact CB-O 3.48Å; N263-R268 PolarHBondContact N-O 3.45Å; N266-R268 PolarHBondContact O-N 2.95Å; N266-R268 WeakPolarHBondContact OD1-CB 3.46Å; N266-R268 WeakPolarHBondContact OD1-CG 3.17Å; N266-R268 PolarHBondContact OD1-N 3.39Å; R268-D270 WeakPolarHBondContact CB-OD1 3.5Å; R268-D270 IonicContact CZ-OD1 3.92Å; R268-D270 IonicContact CZ-OD2 3.86Å; R268-D270 IonicContact NE-OD1 2.71Å; R268-D270 PolarHBondContact NE-OD1 2.94Å; R268-D270 IonicContact NE-OD2 3.26Å; R268-D270 PolarHBondContact NE-OD2 3.47Å; R268-D270 IonicContact NH2-OD1 2.66Å; R268-D270 IonicContact NH2-OD2 3.81Å; R268-D270 PolarHBondContact NH2-OD2 3.34Å; R268-T272 PolarHBondContact NE-OG1 3.24Å
269	T	98.3	Very high	98.6	Very high	62 Å²	62	40.2 Å²	40.2	38%	0.38	22%	0.223	S	C	.	.	S	Bend	trans	-94.4	-4.4	174.6	58.7	0	0	0	0	112.7	F228 A229 I262	F228-T269 HydrophobicContact CD1-CG2 4.5Å; F228-T269 HydrophobicContact CE1-CG2 4.27Å; A229-T269 WeakPolarHBondContact O-CG2 3.3Å; I262-T269 HydrophobicContact CB-CG2 4.04Å; I262-T269 HydrophobicContact CD1-CG2 4.28Å; I262-T269 HydrophobicContact CG1-CG2 4.03Å
270	D	96.2	Very high	98.6	Very high	63 Å²	63	42.5 Å²	42.5	34%	0.337	23%	0.234	S	C	.	.	S	Bend	trans	-89.3	171.7	174.6	66.3	16.1	0	0	0	111.6	R268 T272	R268-D270 WeakPolarHBondContact CB-OD1 3.5Å; R268-D270 IonicContact CZ-OD1 3.92Å; R268-D270 IonicContact CZ-OD2 3.86Å; R268-D270 IonicContact NE-OD1 2.71Å; R268-D270 PolarHBondContact NE-OD1 2.94Å; R268-D270 IonicContact NE-OD2 3.26Å; R268-D270 PolarHBondContact NE-OD2 3.47Å; R268-D270 IonicContact NH2-OD1 2.66Å; R268-D270 IonicContact NH2-OD2 3.81Å; R268-D270 PolarHBondContact NH2-OD2 3.34Å; D270-T272 VanDerWaalsContact CG-OG1 3.23Å; D270-T272 PolarHBondContact O-N 3.2Å; D270-T272 WeakPolarHBondContact OD1-CB 3.16Å; D270-T272 PolarHBondContact OD1-N 2.78Å; D270-T272 VanDerWaalsContact OD1-N 3.13Å; D270-T272 PolarHBondContact OD1-OG1 2.89Å; D270-T272 PolarHBondContact OD2-OG1 3.29Å
271	G	97.7	Very high	98.6	Very high	48 Å²	48	40.7 Å²	40.7	50%	0.495	22%	0.224	S	C	.	.	S	Bend	trans	-72.2	19.7	178.6	0	0	0	0	0	114.5	P273 T301 V302	G271-P273 WeakPolarHBondContact O-CD 3.32Å; G271-T301 WeakPolarHBondContact O-CG2 3.18Å; G271-V302 WeakPolarHBondContact CA-O 3.4Å
272	T	98.6	Very high	98.6	Very high	53 Å²	53	40.4 Å²	40.4	33%	0.325	22%	0.221	S	C	.	.			trans	-68.1	119.5	174.9	-56.2	0	0	0	0	109.1	N263 N266 R268 D270	N263-T272 PolarHBondContact ND2-O 3.25Å; N266-T272 PolarHBondContact ND2-O 3.41Å; N266-T272 VanDerWaalsContact ND2-O 3.11Å; R268-T272 PolarHBondContact NE-OG1 3.24Å; D270-T272 VanDerWaalsContact CG-OG1 3.23Å; D270-T272 PolarHBondContact O-N 3.2Å; D270-T272 WeakPolarHBondContact OD1-CB 3.16Å; D270-T272 PolarHBondContact OD1-N 2.78Å; D270-T272 VanDerWaalsContact OD1-N 3.13Å; D270-T272 PolarHBondContact OD1-OG1 2.89Å; D270-T272 PolarHBondContact OD2-OG1 3.29Å
273	P	98.7	Very high	98.6	Very high	80 Å²	80	42.8 Å²	42.8	52%	0.519	23%	0.231	S	C	.	.			trans	-67.9	149.6	179.5	29.1	-34.9	0	0	0	111	N266 G271 T301	N266-P273 PolarHBondContact ND2-O 3.49Å; G271-P273 WeakPolarHBondContact O-CD 3.32Å; P273-T301 WeakPolarHBondContact CA-OG1 3.42Å; P273-T301 WeakPolarHBondContact CB-OG1 3.46Å
274	A	98.9	Very high	98.4	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.008	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-115.7	125.9	160.3	0	0	0	0	0	107.7	I265 N266 E278 D299 A300	I265-A274 HydrophobicContact CB-CB 3.54Å; I265-A274 HydrophobicContact CD1-CB 4.07Å; I265-A274 HydrophobicContact CG1-CB 4.38Å; I265-A274 HydrophobicContact CG2-CB 3.59Å; N266-A274 HydrophobicContact CB-CB 4.04Å; A274-E278 VanDerWaalsContact CA-OE2 3.24Å; A274-E278 WeakPolarHBondContact CA-OE2 3.31Å; A274-D299 WeakPolarHBondContact O-CA 3.39Å; A274-D299 VanDerWaalsContact O-CB 3.3Å; A274-D299 WeakPolarHBondContact O-CB 3.48Å; A274-A300 PolarHBondContact N-O 3.48Å; A274-A300 PolarHBondContact O-N 3Å
275	T	98.9	Very high	98.1	Very high	63 Å²	63	47.5 Å²	47.5	39%	0.387	25%	0.249	S	C	.	.			trans	-75.1	164.6	-177	83.2	0	0	0	0	111.4	E277 E278 N279	T275-E277 WeakPolarHBondContact CB-OE2 3.37Å; T275-E277 PolarHBondContact O-N 3.38Å; T275-E277 PolarHBondContact OG1-N 3.42Å; T275-E277 PolarHBondContact OG1-OE2 2.86Å; T275-E278 PolarHBondContact N-OE2 3.41Å; T275-E278 PolarHBondContact O-N 3.5Å; T275-E278 VanDerWaalsContact O-N 3.11Å; T275-N279 PolarHBondContact O-N 2.8Å
276	A	98.8	Very high	97.6	Very high	4 Å²	4	49 Å²	49	3%	0.033	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-63.1	-28.6	176.4	0	0	0	0	0	112.1	E278 N279 N296 T313	A276-E278 VanDerWaalsContact C-N 3.3Å; A276-E278 PolarHBondContact O-N 3.13Å; A276-N279 VanDerWaalsContact O-CB 3.22Å; A276-N279 WeakPolarHBondContact O-CB 3.4Å; A276-N279 PolarHBondContact O-N 3.47Å; A276-N296 HydrophobicContact CB-CB 4.41Å; A276-N296 WeakPolarHBondContact O-CA 3.45Å; A276-T313 HydrophobicContact CB-CG2 4.15Å
277	E	98.7	Very high	97	Very high	131 Å²	131	54.2 Å²	54.2	61%	0.612	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-69.1	-26.3	175	-61.4	74.1	-162.5	0	0	113.2	T275 N279	T275-E277 WeakPolarHBondContact CB-OE2 3.37Å; T275-E277 PolarHBondContact O-N 3.38Å; T275-E277 PolarHBondContact OG1-N 3.42Å; T275-E277 PolarHBondContact OG1-OE2 2.86Å; E277-N279 VanDerWaalsContact C-N 3.31Å
278	E	98.8	Very high	96.6	Very high	104 Å²	104	60.2 Å²	60.2	49%	0.486	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-79.5	-15.5	174	-63.8	176.8	110.6	0	0	112.1	I265 A274 T275 A276 L280	I265-E278 HydrophobicContact CG2-CB 3.85Å; I265-E278 WeakPolarHBondContact CG2-O 3.5Å; A274-E278 VanDerWaalsContact CA-OE2 3.24Å; A274-E278 WeakPolarHBondContact CA-OE2 3.31Å; T275-E278 PolarHBondContact N-OE2 3.41Å; T275-E278 PolarHBondContact O-N 3.5Å; T275-E278 VanDerWaalsContact O-N 3.11Å; A276-E278 VanDerWaalsContact C-N 3.3Å; A276-E278 PolarHBondContact O-N 3.13Å; E278-L280 PolarHBondContact O-N 2.81Å
279	N	98.9	Very high	96	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	30%	0.304	C	S	.	.			trans	-69.6	125.3	174.9	-171	-32.1	0	0	0	110.5	I265 T275 A276 E277 G281 M295 A298 F341 N345	I265-N279 HydrophobicContact CD1-CB 3.82Å; I265-N279 HydrophobicContact CG1-CB 4.38Å; T275-N279 PolarHBondContact O-N 2.8Å; A276-N279 VanDerWaalsContact O-CB 3.22Å; A276-N279 WeakPolarHBondContact O-CB 3.4Å; A276-N279 PolarHBondContact O-N 3.47Å; E277-N279 VanDerWaalsContact C-N 3.31Å; N279-G281 PolarHBondContact O-N 2.87Å; N279-G281 VanDerWaalsContact O-N 3.13Å; N279-G281 VanDerWaalsContact OD1-C 3.26Å; N279-G281 WeakPolarHBondContact OD1-CA 3.28Å; N279-G281 PolarHBondContact OD1-N 3.07Å; N279-G281 PolarHBondContact OD1-O 3.01Å; N279-M295 WeakPolarHBondContact O-CE 3.12Å; N279-A298 WeakPolarHBondContact CB-O 3.47Å; N279-A298 PolarHBondContact ND2-O 3.2Å; N279-F341 PolarHBondContact ND2-O 3.06Å; N279-N345 PolarHBondContact OD1-OD1 3.2Å
280	L	98.8	Very high	95.7	Very high	58 Å²	58	56.7 Å²	56.7	30%	0.304	31%	0.309	S	S	.	.			trans	-73.2	-5.5	-178.5	-64.4	178.5	0	0	0	113.4	E278 K293 Y344 N345 Q348	E278-L280 PolarHBondContact O-N 2.81Å; L280-K293 WeakPolarHBondContact O-CE 3.19Å; L280-K293 PolarHBondContact O-NZ 2.88Å; L280-Y344 WeakPolarHBondContact O-CB 3.3Å; L280-N345 PolarHBondContact N-OD1 2.99Å; L280-Q348 HydrophobicContact CD1-CB 3.87Å; L280-Q348 VanDerWaalsContact CD1-CD 3.45Å; L280-Q348 HydrophobicContact CD1-CG 4.27Å
281	G	98.7	Very high	95.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.306	C	S	.	.			trans	132.4	148.3	171.6	0	0	0	0	0	111.6	N279 V294 Y344	N279-G281 PolarHBondContact O-N 2.87Å; N279-G281 VanDerWaalsContact O-N 3.13Å; N279-G281 VanDerWaalsContact OD1-C 3.26Å; N279-G281 WeakPolarHBondContact OD1-CA 3.28Å; N279-G281 PolarHBondContact OD1-N 3.07Å; N279-G281 PolarHBondContact OD1-O 3.01Å; G281-V294 WeakPolarHBondContact CA-O 3.4Å; G281-Y344 WeakPolarHBondContact O-CD2 3.33Å; G281-Y344 PolarHBondContact O-N 2.77Å
282	S	98.8	Very high	95.5	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	151	167.9	-52.4	0	0	0	0	110.4	K293 V294 S340 F341	S282-K293 CarbonylContact O-C 3.52Å; S282-K293 VanDerWaalsContact O-CA 3.26Å; S282-K293 WeakPolarHBondContact O-CA 3.14Å; S282-V294 PolarHBondContact N-O 3.19Å; S282-V294 PolarHBondContact O-N 2.91Å; S282-S340 CarbonylContact C-O 3.48Å; S282-S340 WeakPolarHBondContact CA-O 3.45Å; S282-S340 WeakPolarHBondContact CB-O 3.5Å; S282-F341 PolarHBondContact OG-O 3.2Å
283	Y	98.3	Very high	95.5	Very high	51 Å²	51	59.1 Å²	59.1	20%	0.2	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	93.8	171.2	-170.1	-121.6	0	0	0	109	Y291 S340 Y343	Y283-Y291 HydrophobicContact CD1-CD1 4.06Å; Y283-Y291 HydrophobicContact CD1-CG 4.46Å; Y283-Y291 VanDerWaalsContact CE1-CB 3.46Å; Y283-Y291 HydrophobicContact CE1-CD1 4.08Å; Y283-Y291 HydrophobicContact CE1-CG 4.04Å; Y283-Y291 WeakPolarHBondContact CE2-O 3.47Å; Y283-Y291 WeakPolarHBondContact OH-CB 3.14Å; Y283-S340 PolarHBondContact N-O 3.14Å; Y283-S340 WeakPolarHBondContact O-CB 3.44Å; Y283-S340 PolarHBondContact O-OG 3.45Å; Y283-Y343 VanDerWaalsContact CB-CG 3.43Å; Y283-Y343 AromaticContact CD1-CD2 3.84Å; Y283-Y343 HydrophobicContact CD1-CD2 3.84Å; Y283-Y343 AromaticContact CD1-CE2 3.69Å; Y283-Y343 HydrophobicContact CD1-CE2 3.69Å; Y283-Y343 HydrophobicContact CE1-CE2 4.41Å; Y283-Y343 HydrophobicContact CG-CD2 4.02Å; Y283-Y343 HydrophobicContact CG-CE2 4.14Å; Y283-Y343 HydrophobicContact CG-CG 4.26Å
284	V	96.6	Very high	95.5	Very high	6 Å²	6	57.6 Å²	57.6	4%	0.036	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	151.2	-167.9	-68	0	0	0	0	111.4	Y291 S292 V294 L297 Y319 F341	V284-Y291 WeakPolarHBondContact O-CA 3.25Å; V284-S292 PolarHBondContact N-O 3.16Å; V284-S292 PolarHBondContact O-N 3.5Å; V284-V294 HydrophobicContact CG2-CB 4.17Å; V284-V294 HydrophobicContact CG2-CG2 3.52Å; V284-L297 HydrophobicContact CG1-CD2 3.78Å; V284-L297 HydrophobicContact CG2-CD2 4.06Å; V284-Y319 HydrophobicContact CB-CE1 4.33Å; V284-Y319 HydrophobicContact CG1-CE1 4.16Å; V284-F341 HydrophobicContact CG1-CD1 4.48Å
285	R	91.1	Very high	95.5	Very high	93 Å²	93	62 Å²	62	35%	0.351	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	127.4	176	-167	174.4	178.5	-86.6	0.6	110.2	G289 D290 Y291	R285-G289 PolarHBondContact NE-O 3.48Å; R285-D290 CarbonylContact C-O 3.53Å; R285-D290 WeakPolarHBondContact CA-O 3.2Å; R285-Y291 HydrophobicContact CB-CD1 4.26Å; R285-Y291 HydrophobicContact CB-CD2 4.24Å; R285-Y291 HydrophobicContact CB-CE1 3.94Å; R285-Y291 HydrophobicContact CB-CE2 3.9Å; R285-Y291 HydrophobicContact CB-CG 4.4Å; R285-Y291 HydrophobicContact CG-CD2 4.25Å; R285-Y291 HydrophobicContact CG-CE2 3.89Å
286	N	88.6	Confident	95.4	Very high	45 Å²	45	63.1 Å²	63.1	24%	0.241	32%	0.317	C	S	.	.			trans	-88.1	177.8	173.5	68.4	35	0	0	0	111.7	N288 G289 D290	N286-N288 PolarHBondContact O-N 3.47Å; N286-N288 WeakPolarHBondContact OD1-CA 2.95Å; N286-N288 WeakPolarHBondContact OD1-CB 3.24Å; N286-N288 PolarHBondContact OD1-N 3.2Å; N286-G289 WeakPolarHBondContact O-CA 3.45Å; N286-G289 PolarHBondContact O-N 2.89Å; N286-G289 PolarHBondContact OD1-N 3.01Å; N286-G289 VanDerWaalsContact OD1-N 3.1Å; N286-D290 PolarHBondContact N-O 3.33Å; N286-D290 PolarHBondContact ND2-O 2.82Å; N286-D290 PolarHBondContact OD1-N 2.98Å; N286-D290 VanDerWaalsContact OD1-N 3.14Å; N286-D290 PolarHBondContact OD1-O 2.88Å
287	D	87.3	Confident	95.4	Very high	147 Å²	147	64 Å²	64	79%	0.786	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-23.4	-175.4	-59.1	-18.2	0	0	0	113	G289	D287-G289 PolarHBondContact O-N 3.18Å
288	N	89.8	Confident	95.4	Very high	141 Å²	141	57.7 Å²	57.7	75%	0.754	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-11.9	172.6	-60.6	-26.2	0	0	0	112.3	N286	N286-N288 PolarHBondContact O-N 3.47Å; N286-N288 WeakPolarHBondContact OD1-CA 2.95Å; N286-N288 WeakPolarHBondContact OD1-CB 3.24Å; N286-N288 PolarHBondContact OD1-N 3.2Å
289	G	85.5	Confident	95.4	Very high	13 Å²	13	53.4 Å²	53.4	13%	0.134	27%	0.272	C	S	.	.	S	Bend	trans	91.3	1.9	179.7	0	0	0	0	0	115.4	R285 N286 D287	R285-G289 PolarHBondContact NE-O 3.48Å; N286-G289 WeakPolarHBondContact O-CA 3.45Å; N286-G289 PolarHBondContact O-N 2.89Å; N286-G289 PolarHBondContact OD1-N 3.01Å; N286-G289 VanDerWaalsContact OD1-N 3.1Å; D287-G289 PolarHBondContact O-N 3.18Å
290	D	91.8	Very high	95.4	Very high	88 Å²	88	53.4 Å²	53.4	47%	0.471	27%	0.272	S	S	.	.			trans	-82.5	153.9	172.8	-57.3	-46.2	0	0	0	110.5	R285 N286	R285-D290 CarbonylContact C-O 3.53Å; R285-D290 WeakPolarHBondContact CA-O 3.2Å; N286-D290 PolarHBondContact N-O 3.33Å; N286-D290 PolarHBondContact ND2-O 2.82Å; N286-D290 PolarHBondContact OD1-N 2.98Å; N286-D290 VanDerWaalsContact OD1-N 3.14Å; N286-D290 PolarHBondContact OD1-O 2.88Å
291	Y	94.3	Very high	95.4	Very high	72 Å²	72	52.5 Å²	52.5	28%	0.282	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	134.2	173.2	-74.6	-109	0	0	0	110.4	T114 Y283 V284 R285	T114-Y291 HydrophobicContact CG2-CD1 3.95Å; T114-Y291 HydrophobicContact CG2-CD2 3.67Å; T114-Y291 HydrophobicContact CG2-CE1 3.81Å; T114-Y291 HydrophobicContact CG2-CE2 3.53Å; T114-Y291 HydrophobicContact CG2-CG 3.88Å; Y283-Y291 HydrophobicContact CD1-CD1 4.06Å; Y283-Y291 HydrophobicContact CD1-CG 4.46Å; Y283-Y291 VanDerWaalsContact CE1-CB 3.46Å; Y283-Y291 HydrophobicContact CE1-CD1 4.08Å; Y283-Y291 HydrophobicContact CE1-CG 4.04Å; Y283-Y291 WeakPolarHBondContact CE2-O 3.47Å; Y283-Y291 WeakPolarHBondContact OH-CB 3.14Å; V284-Y291 WeakPolarHBondContact O-CA 3.25Å; R285-Y291 HydrophobicContact CB-CD1 4.26Å; R285-Y291 HydrophobicContact CB-CD2 4.24Å; R285-Y291 HydrophobicContact CB-CE1 3.94Å; R285-Y291 HydrophobicContact CB-CE2 3.9Å; R285-Y291 HydrophobicContact CB-CG 4.4Å; R285-Y291 HydrophobicContact CG-CD2 4.25Å; R285-Y291 HydrophobicContact CG-CE2 3.89Å
292	S	96.3	Very high	95.4	Very high	46 Å²	46	52.8 Å²	52.8	32%	0.322	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.5	-179.1	56.3	0	0	0	0	111.7	V284 V294	V284-S292 PolarHBondContact N-O 3.16Å; V284-S292 PolarHBondContact O-N 3.5Å; S292-V294 PolarHBondContact O-N 3.12Å
293	K	98	Very high	95.4	Very high	97 Å²	97	55.1 Å²	55.1	42%	0.422	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	128.8	171.3	-176.4	168.4	-167.9	157.5	0	110.4	L280 S282 M295 Y344	L280-K293 WeakPolarHBondContact O-CE 3.19Å; L280-K293 PolarHBondContact O-NZ 2.88Å; S282-K293 CarbonylContact O-C 3.52Å; S282-K293 VanDerWaalsContact O-CA 3.26Å; S282-K293 WeakPolarHBondContact O-CA 3.14Å; K293-M295 HydrophobicContact CD-SD 4.32Å; K293-M295 WeakPolarHBondContact CE-SD 3.46Å; K293-M295 HydrophobicContact CG-SD 4.35Å; K293-Y344 HydrophobicContact CB-CE2 3.76Å; K293-Y344 HydrophobicContact CD-CD2 3.87Å; K293-Y344 HydrophobicContact CD-CE1 4.22Å; K293-Y344 HydrophobicContact CD-CE2 3.36Å; K293-Y344 HydrophobicContact CG-CD2 4Å; K293-Y344 HydrophobicContact CG-CE2 3.38Å
294	V	98.4	Very high	95.3	Very high	48 Å²	48	55.8 Å²	55.8	29%	0.291	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.4	173.7	-177.1	0	0	0	0	108.6	G281 S282 V284 S292 L297	G281-V294 WeakPolarHBondContact CA-O 3.4Å; S282-V294 PolarHBondContact N-O 3.19Å; S282-V294 PolarHBondContact O-N 2.91Å; V284-V294 HydrophobicContact CG2-CB 4.17Å; V284-V294 HydrophobicContact CG2-CG2 3.52Å; S292-V294 PolarHBondContact O-N 3.12Å; V294-L297 HydrophobicContact CB-CD2 4.46Å; V294-L297 HydrophobicContact CG1-CB 4.03Å; V294-L297 HydrophobicContact CG1-CD2 4.43Å
295	M	98.5	Very high	95.2	Very high	95 Å²	95	61.9 Å²	61.9	47%	0.468	34%	0.343	S	S	.	.	S	Bend	trans	-85	153.5	175.7	-62.4	-53.5	-59.6	0	0	110.9	N279 K293 L297	N279-M295 WeakPolarHBondContact O-CE 3.12Å; K293-M295 HydrophobicContact CD-SD 4.32Å; K293-M295 WeakPolarHBondContact CE-SD 3.46Å; K293-M295 HydrophobicContact CG-SD 4.35Å; M295-L297 PolarHBondContact O-N 3.23Å
296	N	98.4	Very high	95.5	Very high	85 Å²	85	60 Å²	60	46%	0.455	34%	0.336	S	S	.	.	S	Bend	trans	56	35.9	171.7	-49.5	-10.1	0	0	0	113.6	A276	A276-N296 HydrophobicContact CB-CB 4.41Å; A276-N296 WeakPolarHBondContact O-CA 3.45Å
297	L	98.5	Very high	96	Very high	22 Å²	22	58 Å²	58	12%	0.115	33%	0.326	C	S	.	.			trans	-89.4	-56.8	-178.6	178.9	62.4	0	0	0	112	V284 V294 M295 T313 V314 Y319 F341	V284-L297 HydrophobicContact CG1-CD2 3.78Å; V284-L297 HydrophobicContact CG2-CD2 4.06Å; V294-L297 HydrophobicContact CB-CD2 4.46Å; V294-L297 HydrophobicContact CG1-CB 4.03Å; V294-L297 HydrophobicContact CG1-CD2 4.43Å; M295-L297 PolarHBondContact O-N 3.23Å; L297-T313 CarbonylContact O-C 3.57Å; L297-T313 PolarHBondContact O-OG1 2.82Å; L297-V314 HydrophobicContact CD1-CG1 4.28Å; L297-V314 HydrophobicContact CG-CG1 4.03Å; L297-V314 WeakPolarHBondContact O-CG1 3.49Å; L297-Y319 HydrophobicContact CD1-CE2 3.86Å; L297-Y319 HydrophobicContact CD2-CE1 4.47Å; L297-Y319 HydrophobicContact CD2-CE2 4.42Å; L297-F341 HydrophobicContact CD2-CD1 4.44Å
298	A	98.8	Very high	96.6	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.288	C	S	.	.			trans	-119.2	123.5	-172.4	0	0	0	0	0	111.5	N279 T313 V314 F341 Y342	N279-A298 WeakPolarHBondContact CB-O 3.47Å; N279-A298 PolarHBondContact ND2-O 3.2Å; A298-T313 WeakPolarHBondContact CA-OG1 3.43Å; A298-V314 HydrophobicContact CB-CG1 3.61Å; A298-F341 HydrophobicContact CB-CB 3.7Å; A298-F341 HydrophobicContact CB-CD1 4.32Å; A298-F341 HydrophobicContact CB-CD2 4.09Å; A298-F341 HydrophobicContact CB-CG 3.81Å; A298-Y342 HydrophobicContact CB-CE1 4Å
299	D	98.9	Very high	97	Very high	14 Å²	14	44.3 Å²	44.3	8%	0.075	25%	0.253	C	S	.	.			trans	-79.6	175.5	159.1	68.6	-29.3	0	0	0	110.9	A274 S311 S312 T313 Y342	A274-D299 WeakPolarHBondContact O-CA 3.39Å; A274-D299 VanDerWaalsContact O-CB 3.3Å; A274-D299 WeakPolarHBondContact O-CB 3.48Å; D299-S311 WeakPolarHBondContact O-CB 3.32Å; D299-S311 PolarHBondContact O-OG 3.16Å; D299-S311 VanDerWaalsContact O-OG 3.14Å; D299-S311 VanDerWaalsContact OD1-CA 3.28Å; D299-S311 WeakPolarHBondContact OD1-CA 3.27Å; D299-S311 PolarHBondContact OD1-OG 3.2Å; D299-S311 VanDerWaalsContact OD1-OG 3.05Å; D299-S312 PolarHBondContact OD1-N 2.91Å; D299-S312 WeakPolarHBondContact OD2-CB 3.34Å; D299-S312 PolarHBondContact OD2-N 2.91Å; D299-S312 PolarHBondContact OD2-OG 3.43Å; D299-T313 HydrophobicContact CB-CG2 3.92Å; D299-T313 PolarHBondContact N-OG1 2.78Å; D299-T313 PolarHBondContact OD1-N 2.85Å; D299-T313 PolarHBondContact OD1-OG1 3.41Å; D299-Y342 PolarHBondContact O-OH 3.02Å
300	A	98.9	Very high	97.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-148.8	135.1	173.4	0	0	0	0	0	111.5	N263 P264 I265 A274 V309 V310 Y342	N263-A300 PolarHBondContact ND2-O 3.49Å; N263-A300 WeakPolarHBondContact OD1-CB 3.34Å; P264-A300 HydrophobicContact CG-CB 4.23Å; I265-A300 HydrophobicContact CD1-CB 3.9Å; I265-A300 HydrophobicContact CG1-CB 4.27Å; A274-A300 PolarHBondContact N-O 3.48Å; A274-A300 PolarHBondContact O-N 3Å; A300-V309 HydrophobicContact CB-CG1 3.82Å; A300-V310 CarbonylContact C-O 3.56Å; A300-V310 WeakPolarHBondContact CA-O 3.41Å; A300-Y342 HydrophobicContact CB-CE1 3.89Å
301	T	98.9	Very high	98	Very high	40 Å²	40	41 Å²	41	25%	0.245	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	133.3	167.9	-57.5	0	0	0	0	109.3	G271 P273 V310	G271-T301 WeakPolarHBondContact O-CG2 3.18Å; P273-T301 WeakPolarHBondContact CA-OG1 3.42Å; P273-T301 WeakPolarHBondContact CB-OG1 3.46Å; T301-V310 PolarHBondContact N-O 2.66Å; T301-V310 PolarHBondContact O-N 2.59Å
302	V	98.8	Very high	98.2	Very high	6 Å²	6	40.8 Å²	40.8	4%	0.036	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	123.6	174.7	172.1	0	0	0	0	109.9	A261 N263 G271 G304 L308 V309	A261-V302 HydrophobicContact CB-CG1 4.05Å; A261-V302 HydrophobicContact CB-CG2 4.33Å; N263-V302 HydrophobicContact CB-CG2 4.01Å; G271-V302 WeakPolarHBondContact CA-O 3.4Å; V302-G304 PolarHBondContact O-N 3.24Å; V302-L308 WeakPolarHBondContact CA-O 3.39Å; V302-V309 HydrophobicContact CG2-CG2 4.25Å
303	D	98.3	Very high	98.3	Very high	48 Å²	48	42 Å²	42	26%	0.257	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	97.1	160	178.1	-7.6	0	0	0	108.2	T305 R306 G307 L308 V310	D303-T305 PolarHBondContact O-N 3.1Å; D303-T305 WeakPolarHBondContact OD1-CA 3.08Å; D303-T305 VanDerWaalsContact OD1-CB 3.31Å; D303-T305 WeakPolarHBondContact OD1-CB 3.43Å; D303-T305 PolarHBondContact OD1-N 3.25Å; D303-R306 PolarHBondContact O-N 3.16Å; D303-R306 PolarHBondContact OD1-N 3.35Å; D303-R306 WeakPolarHBondContact OD2-CD 2.95Å; D303-R306 VanDerWaalsContact OD2-CG 3.27Å; D303-R306 WeakPolarHBondContact OD2-CG 3.44Å; D303-G307 WeakPolarHBondContact O-CA 3.32Å; D303-G307 PolarHBondContact O-N 3.31Å; D303-L308 PolarHBondContact N-O 2.89Å; D303-L308 PolarHBondContact O-N 2.92Å; D303-V310 HydrophobicContact CB-CG2 4.36Å
304	G	94.8	Very high	98.3	Very high	65 Å²	65	37.9 Å²	37.9	67%	0.67	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.3	-179.4	0	0	0	0	0	114.5	V302	V302-G304 PolarHBondContact O-N 3.24Å
305	T	96.3	Very high	98.2	Very high	135 Å²	135	40 Å²	40	83%	0.828	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-37	175.7	-54.7	0	0	0	0	110.7	D303	D303-T305 PolarHBondContact O-N 3.1Å; D303-T305 WeakPolarHBondContact OD1-CA 3.08Å; D303-T305 VanDerWaalsContact OD1-CB 3.31Å; D303-T305 WeakPolarHBondContact OD1-CB 3.43Å; D303-T305 PolarHBondContact OD1-N 3.25Å
306	R	97.6	Very high	98.2	Very high	52 Å²	52	38 Å²	38	20%	0.196	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-13.5	-174.7	-59.5	-178.2	66.5	-171.7	0.8	113.5	F248 G250 W255 D303 L308	F248-R306 PolarHBondContact O-NH1 2.78Å; G250-R306 PolarHBondContact O-NH2 3.11Å; W255-R306 PolarHBondContact NE1-O 3.01Å; D303-R306 PolarHBondContact O-N 3.16Å; D303-R306 PolarHBondContact OD1-N 3.35Å; D303-R306 WeakPolarHBondContact OD2-CD 2.95Å; D303-R306 VanDerWaalsContact OD2-CG 3.27Å; D303-R306 WeakPolarHBondContact OD2-CG 3.44Å; R306-L308 VanDerWaalsContact C-N 3.34Å; R306-L308 HydrophobicContact CB-CB 4.46Å; R306-L308 HydrophobicContact CB-CD1 3.91Å; R306-L308 HydrophobicContact CB-CG 3.96Å
307	G	98.3	Very high	98.1	Very high	3 Å²	3	37.9 Å²	37.9	3%	0.031	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	43.5	-172	0	0	0	0	0	112	A259 D303	A259-G307 VanDerWaalsContact O-CA 3.3Å; A259-G307 WeakPolarHBondContact O-CA 3.29Å; D303-G307 WeakPolarHBondContact O-CA 3.32Å; D303-G307 PolarHBondContact O-N 3.31Å
308	L	98.7	Very high	97.9	Very high	1 Å²	1	42 Å²	42	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	151.9	177.5	-64.6	175	0	0	0	109.9	N242 V244 F248 L252 W255 V302 D303 R306	N242-L308 HydrophobicContact CB-CD2 3.87Å; V244-L308 HydrophobicContact CG1-CD1 4.27Å; V244-L308 HydrophobicContact CG2-CB 4.22Å; V244-L308 HydrophobicContact CG2-CD1 4.19Å; F248-L308 HydrophobicContact CD1-CD1 4.3Å; F248-L308 HydrophobicContact CE1-CD1 4.27Å; L252-L308 HydrophobicContact CD1-CD2 3.95Å; W255-L308 HydrophobicContact CG-CD2 4.47Å; V302-L308 WeakPolarHBondContact CA-O 3.39Å; D303-L308 PolarHBondContact N-O 2.89Å; D303-L308 PolarHBondContact O-N 2.92Å; R306-L308 VanDerWaalsContact C-N 3.34Å; R306-L308 HydrophobicContact CB-CB 4.46Å; R306-L308 HydrophobicContact CB-CD1 3.91Å; R306-L308 HydrophobicContact CB-CG 3.96Å
309	V	98.9	Very high	97.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123.2	168.6	169.4	0	0	0	0	108.3	Y241 N242 T243 V244 P264 A300 V302 Y342	Y241-V309 VanDerWaalsContact CB-CG2 3.5Å; Y241-V309 HydrophobicContact CD2-CG2 4.4Å; Y241-V309 HydrophobicContact CG-CG2 4.03Å; N242-V309 PolarHBondContact O-N 3.45Å; T243-V309 CarbonylContact C-O 3.58Å; T243-V309 VanDerWaalsContact CA-O 3.24Å; T243-V309 WeakPolarHBondContact CA-O 3.27Å; T243-V309 HydrophobicContact CG2-CG1 4.34Å; V244-V309 PolarHBondContact N-O 3.13Å; P264-V309 HydrophobicContact CG-CG1 4.45Å; A300-V309 HydrophobicContact CB-CG1 3.82Å; V302-V309 HydrophobicContact CG2-CG2 4.25Å; V309-Y342 HydrophobicContact CG1-CE2 4.4Å
310	V	98.9	Very high	97.7	Very high	31 Å²	31	44.2 Å²	44.2	19%	0.188	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.7	174.1	-180	0	0	0	0	108.8	V244 P246 A300 T301 D303	V244-V310 HydrophobicContact CG2-CG2 4.2Å; V244-V310 WeakPolarHBondContact O-CA 3.46Å; P246-V310 HydrophobicContact CB-CG1 4.03Å; P246-V310 HydrophobicContact CG-CG1 3.85Å; A300-V310 CarbonylContact C-O 3.56Å; A300-V310 WeakPolarHBondContact CA-O 3.41Å; T301-V310 PolarHBondContact N-O 2.66Å; T301-V310 PolarHBondContact O-N 2.59Å; D303-V310 HydrophobicContact CB-CG2 4.36Å
311	S	98.8	Very high	97.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.268	C	S	.	.			trans	-113	119.8	166.4	-174.3	0	0	0	0	109.6	V244 P246 D299	V244-S311 PolarHBondContact O-N 2.9Å; P246-S311 WeakPolarHBondContact CD-O 3.5Å; D299-S311 WeakPolarHBondContact O-CB 3.32Å; D299-S311 PolarHBondContact O-OG 3.16Å; D299-S311 VanDerWaalsContact O-OG 3.14Å; D299-S311 VanDerWaalsContact OD1-CA 3.28Å; D299-S311 WeakPolarHBondContact OD1-CA 3.27Å; D299-S311 PolarHBondContact OD1-OG 3.2Å; D299-S311 VanDerWaalsContact OD1-OG 3.05Å
312	S	98.6	Very high	97.2	Very high	69 Å²	69	44.8 Å²	44.8	48%	0.483	27%	0.269	S	S	.	.			trans	-102.9	-21.5	-175.1	79.8	0	0	0	0	114.7	P246 D299	P246-S312 VanDerWaalsContact CG-CB 3.46Å; D299-S312 PolarHBondContact OD1-N 2.91Å; D299-S312 WeakPolarHBondContact OD2-CB 3.34Å; D299-S312 PolarHBondContact OD2-N 2.91Å; D299-S312 PolarHBondContact OD2-OG 3.43Å
313	T	98.6	Very high	96.9	Very high	71 Å²	71	52.4 Å²	52.4	44%	0.436	30%	0.304	S	S	.	.	S	Bend	trans	-88.1	-18.3	-174.1	57.8	0	0	0	0	114.1	A276 L297 A298 D299	A276-T313 HydrophobicContact CB-CG2 4.15Å; L297-T313 CarbonylContact O-C 3.57Å; L297-T313 PolarHBondContact O-OG1 2.82Å; A298-T313 WeakPolarHBondContact CA-OG1 3.43Å; D299-T313 HydrophobicContact CB-CG2 3.92Å; D299-T313 PolarHBondContact N-OG1 2.78Å; D299-T313 PolarHBondContact OD1-N 2.85Å; D299-T313 PolarHBondContact OD1-OG1 3.41Å
314	V	98.2	Very high	96.4	Very high	11 Å²	11	54.4 Å²	54.4	7%	0.067	32%	0.322	C	S	.	.	S	Bend	trans	-73.3	146.2	178.8	-62.2	0	0	0	0	111.7	L297 A298 K316 Y319 F334 F341	L297-V314 HydrophobicContact CD1-CG1 4.28Å; L297-V314 HydrophobicContact CG-CG1 4.03Å; L297-V314 WeakPolarHBondContact O-CG1 3.49Å; A298-V314 HydrophobicContact CB-CG1 3.61Å; V314-K316 PolarHBondContact O-N 3.34Å; V314-Y319 HydrophobicContact CB-CD2 4.02Å; V314-F334 HydrophobicContact CG2-CD2 4.23Å; V314-F334 HydrophobicContact CG2-CE1 4.12Å; V314-F334 HydrophobicContact CG2-CE2 3.46Å; V314-F334 VanDerWaalsContact CG2-CE2 3.46Å; V314-F334 HydrophobicContact CG2-CZ 3.42Å; V314-F334 VanDerWaalsContact CG2-CZ 3.42Å; V314-F341 HydrophobicContact CB-CE2 4.44Å; V314-F341 HydrophobicContact CB-CZ 4.02Å; V314-F341 HydrophobicContact CG1-CD1 4.4Å; V314-F341 HydrophobicContact CG1-CD2 4.42Å; V314-F341 HydrophobicContact CG1-CE1 3.96Å; V314-F341 HydrophobicContact CG1-CE2 3.98Å; V314-F341 HydrophobicContact CG1-CZ 3.72Å; V314-F341 HydrophobicContact CG2-CE2 3.98Å; V314-F341 HydrophobicContact CG2-CZ 3.91Å
315	D	97.4	Very high	96.2	Very high	92 Å²	92	51.4 Å²	51.4	49%	0.492	29%	0.291	S	S	.	.			trans	-66.1	103.4	169.1	177.9	-6.2	0	0	0	109.7	A317 K318 Y319	D315-A317 VanDerWaalsContact C-N 3.28Å; D315-A317 PolarHBondContact O-N 3.44Å; D315-A317 PolarHBondContact OD1-N 2.83Å; D315-K318 HydrophobicContact CB-CB 3.92Å; D315-K318 PolarHBondContact O-N 2.96Å; D315-K318 VanDerWaalsContact O-N 3.13Å; D315-K318 PolarHBondContact OD1-N 3.13Å; D315-Y319 VanDerWaalsContact O-CD2 3.31Å; D315-Y319 WeakPolarHBondContact O-CD2 3.41Å; D315-Y319 PolarHBondContact O-N 3.18Å
316	K	97.4	Very high	96	Very high	54 Å²	54	48.9 Å²	48.9	24%	0.235	27%	0.266	C	S	.	.	H	α-helix	trans	-52.5	-45.9	179.7	175.6	179.3	167.9	170	0	112.1	A245 D247 V314 K318 Y319 E320 F334	A245-K316 HydrophobicContact CB-CD 3.92Å; A245-K316 HydrophobicContact CB-CG 4.22Å; D247-K316 IonicContact OD1-NZ 2.9Å; D247-K316 PolarHBondContact OD1-NZ 3.11Å; D247-K316 IonicContact OD2-NZ 2.71Å; D247-K316 PolarHBondContact OD2-NZ 3.3Å; V314-K316 PolarHBondContact O-N 3.34Å; K316-K318 PolarHBondContact O-N 2.62Å; K316-Y319 PolarHBondContact O-N 2.96Å; K316-E320 HydrophobicContact CG-CB 4.41Å; K316-E320 WeakPolarHBondContact O-CB 3.17Å; K316-E320 WeakPolarHBondContact O-CG 3.42Å; K316-E320 PolarHBondContact O-N 3.44Å; K316-F334 HydrophobicContact CB-CZ 4.19Å; K316-F334 HydrophobicContact CG-CE1 4.46Å; K316-F334 HydrophobicContact CG-CZ 4.33Å
317	A	95.9	Very high	95.6	Very high	81 Å²	81	56.6 Å²	56.6	67%	0.669	30%	0.301	S	S	*	.	H	α-helix	trans	-66.9	-29.7	-175.2	0	0	0	0	0	112	D315	D315-A317 VanDerWaalsContact C-N 3.28Å; D315-A317 PolarHBondContact O-N 3.44Å; D315-A317 PolarHBondContact OD1-N 2.83Å
318	K	95.3	Very high	95.2	Very high	109 Å²	109	57.9 Å²	57.9	47%	0.474	31%	0.307	S	S	.	.	H	α-helix	trans	-76.9	-41.8	176.8	179.3	169.9	178	165.4	0	113.1	D315 K316	D315-K318 HydrophobicContact CB-CB 3.92Å; D315-K318 PolarHBondContact O-N 2.96Å; D315-K318 VanDerWaalsContact O-N 3.13Å; D315-K318 PolarHBondContact OD1-N 3.13Å; K316-K318 PolarHBondContact O-N 2.62Å
319	Y	96.3	Very high	94.9	Very high	25 Å²	25	58.5 Å²	58.5	10%	0.098	31%	0.309	C	S	.	.	H	α-helix	trans	-105.7	-13.3	-167	-67.2	-73	0	0	0	115.2	V284 L297 V314 D315 K316 N337 F341	V284-Y319 HydrophobicContact CB-CE1 4.33Å; V284-Y319 HydrophobicContact CG1-CE1 4.16Å; L297-Y319 HydrophobicContact CD1-CE2 3.86Å; L297-Y319 HydrophobicContact CD2-CE1 4.47Å; L297-Y319 HydrophobicContact CD2-CE2 4.42Å; V314-Y319 HydrophobicContact CB-CD2 4.02Å; D315-Y319 VanDerWaalsContact O-CD2 3.31Å; D315-Y319 WeakPolarHBondContact O-CD2 3.41Å; D315-Y319 PolarHBondContact O-N 3.18Å; K316-Y319 PolarHBondContact O-N 2.96Å; Y319-N337 PolarHBondContact O-ND2 3.3Å; Y319-F341 AromaticContact CD1-CE1 3.75Å; Y319-F341 HydrophobicContact CD1-CE1 3.75Å; Y319-F341 HydrophobicContact CD1-CZ 4.23Å; Y319-F341 HydrophobicContact CD2-CE1 4.33Å; Y319-F341 HydrophobicContact CD2-CZ 4.4Å; Y319-F341 HydrophobicContact CE1-CE1 4.27Å; Y319-F341 AromaticContact CG-CE1 3.79Å; Y319-F341 HydrophobicContact CG-CE1 3.79Å; Y319-F341 AromaticContact CG-CZ 3.85Å; Y319-F341 HydrophobicContact CG-CZ 3.85Å
320	E	97.1	Very high	94.8	Very high	36 Å²	36	60.1 Å²	60.1	17%	0.168	32%	0.32	C	S	.	.	S	Bend	trans	-65.8	158.9	178.4	71.9	178.1	155.3	0	0	112.7	K316 R326 A331 G332 S333 F334	K316-E320 HydrophobicContact CG-CB 4.41Å; K316-E320 WeakPolarHBondContact O-CB 3.17Å; K316-E320 WeakPolarHBondContact O-CG 3.42Å; K316-E320 PolarHBondContact O-N 3.44Å; E320-R326 VanDerWaalsContact CD-NH1 3.34Å; E320-R326 IonicContact OE1-CZ 2.79Å; E320-R326 IonicContact OE1-NH1 2.75Å; E320-R326 IonicContact OE1-NH2 2.61Å; E320-R326 PolarHBondContact OE1-NH2 3.06Å; E320-R326 IonicContact OE2-CZ 3.51Å; E320-R326 VanDerWaalsContact OE2-CZ 3.26Å; E320-R326 IonicContact OE2-NH1 2.77Å; E320-R326 PolarHBondContact OE2-NH1 2.8Å; E320-R326 IonicContact OE2-NH2 3.39Å; E320-R326 PolarHBondContact OE2-NH2 2.85Å; E320-A331 WeakPolarHBondContact OE2-CA 3.45Å; E320-G332 PolarHBondContact OE2-N 3.04Å; E320-S333 CarbonylContact C-O 3.54Å; E320-S333 VanDerWaalsContact CA-O 3.31Å; E320-S333 WeakPolarHBondContact CA-O 3.16Å; E320-F334 HydrophobicContact CB-CD1 4.22Å; E320-F334 HydrophobicContact CB-CE1 3.99Å
321	M	94.5	Very high	94.7	Very high	11 Å²	11	60.9 Å²	60.9	5%	0.054	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-52	132.1	173.5	-76.2	-63.3	-57.4	0	0	110.9	T325 R326 F329 S333 H335 N336	M321-T325 HydrophobicContact CE-CG2 3.92Å; M321-R326 PolarHBondContact O-NH1 3.05Å; M321-F329 HydrophobicContact CB-CB 3.77Å; M321-F329 HydrophobicContact CB-CG 4.47Å; M321-F329 HydrophobicContact CE-CB 4.27Å; M321-F329 HydrophobicContact CE-CD2 3.59Å; M321-F329 HydrophobicContact CE-CE2 4.08Å; M321-F329 HydrophobicContact CE-CG 3.97Å; M321-F329 HydrophobicContact CG-CB 3.72Å; M321-F329 HydrophobicContact CG-CD1 4.24Å; M321-F329 HydrophobicContact CG-CG 3.93Å; M321-S333 PolarHBondContact N-O 3.13Å; M321-H335 HydrophobicContact CG-CB 4.14Å; M321-H335 HydrophobicContact SD-CB 4.01Å; M321-N336 HydrophobicContact SD-CB 4.18Å; M321-N336 VanDerWaalsContact SD-CG 3.5Å; M321-N336 PolarHBondContact SD-ND2 3.13Å
322	P	92	Very high	94.7	Very high	41 Å²	41	60.9 Å²	60.9	27%	0.266	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-55.9	151.2	-173.5	-26.7	33.4	0	0	0	113.2	S324 T325	P322-S324 PolarHBondContact O-N 3.46Å; P322-T325 HydrophobicContact CB-CG2 4.44Å; P322-T325 WeakPolarHBondContact O-CB 3.5Å; P322-T325 PolarHBondContact O-N 3.18Å; P322-T325 PolarHBondContact O-OG1 3.07Å
323	E	92.2	Very high	94.7	Very high	166 Å²	166	57.6 Å²	57.6	78%	0.776	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-55.8	-31.2	-178.9	-167.6	-179.6	176.1	0	0	113.3	T325 R326	E323-T325 PolarHBondContact O-N 2.66Å; E323-R326 HydrophobicContact CG-CG 4.21Å; E323-R326 WeakPolarHBondContact O-CB 3.31Å; E323-R326 WeakPolarHBondContact O-CG 3.44Å; E323-R326 PolarHBondContact O-N 3.36Å
324	S	89.4	Confident	94.6	Very high	89 Å²	89	54.2 Å²	54.2	62%	0.622	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-63	-14	175.5	61.4	0	0	0	0	114.3	P322	P322-S324 PolarHBondContact O-N 3.46Å
325	T	90.4	Very high	94.6	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.018	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-102.6	-0	-178.3	71.6	0	0	0	0	114	Y22 M321 P322 E323 K327 I328 F329	Y22-T325 HydrophobicContact CD1-CG2 4.32Å; Y22-T325 HydrophobicContact CE1-CG2 3.42Å; Y22-T325 VanDerWaalsContact CE1-CG2 3.42Å; Y22-T325 WeakPolarHBondContact OH-CG2 3.37Å; M321-T325 HydrophobicContact CE-CG2 3.92Å; P322-T325 HydrophobicContact CB-CG2 4.44Å; P322-T325 WeakPolarHBondContact O-CB 3.5Å; P322-T325 PolarHBondContact O-N 3.18Å; P322-T325 PolarHBondContact O-OG1 3.07Å; E323-T325 PolarHBondContact O-N 2.66Å; T325-K327 PolarHBondContact O-N 3.48Å; T325-I328 WeakPolarHBondContact O-CA 3.42Å; T325-I328 PolarHBondContact O-N 3.06Å; T325-F329 PolarHBondContact O-N 3.22Å
326	R	91.9	Very high	94.5	Very high	81 Å²	81	53.8 Å²	53.8	31%	0.306	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-25	-170.1	-67.4	-68.5	-163.8	-149.9	15.4	115.6	E320 M321 E323 I328 F329 A331	E320-R326 VanDerWaalsContact CD-NH1 3.34Å; E320-R326 IonicContact OE1-CZ 2.79Å; E320-R326 IonicContact OE1-NH1 2.75Å; E320-R326 IonicContact OE1-NH2 2.61Å; E320-R326 PolarHBondContact OE1-NH2 3.06Å; E320-R326 IonicContact OE2-CZ 3.51Å; E320-R326 VanDerWaalsContact OE2-CZ 3.26Å; E320-R326 IonicContact OE2-NH1 2.77Å; E320-R326 PolarHBondContact OE2-NH1 2.8Å; E320-R326 IonicContact OE2-NH2 3.39Å; E320-R326 PolarHBondContact OE2-NH2 2.85Å; M321-R326 PolarHBondContact O-NH1 3.05Å; E323-R326 HydrophobicContact CG-CG 4.21Å; E323-R326 WeakPolarHBondContact O-CB 3.31Å; E323-R326 WeakPolarHBondContact O-CG 3.44Å; E323-R326 PolarHBondContact O-N 3.36Å; R326-I328 PolarHBondContact O-N 3.01Å; R326-F329 WeakPolarHBondContact CA-O 3.48Å; R326-A331 VanDerWaalsContact NH1-CA 3.25Å
327	K	88.3	Confident	94.6	Very high	214 Å²	214	52.2 Å²	52.2	93%	0.93	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.9	173.9	-67.5	-175.3	178.5	179.6	0	113.3	T325	T325-K327 PolarHBondContact O-N 3.48Å
328	I	89.9	Confident	94.7	Very high	30 Å²	30	48.3 Å²	48.3	15%	0.154	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-48.1	-175.3	-62	171.7	0	0	0	109.8	K136 L139 P253 T325 R326	K136-I328 HydrophobicContact CB-CD1 4.41Å; K136-I328 HydrophobicContact CG-CD1 4.44Å; L139-I328 HydrophobicContact CB-CD1 4.43Å; L139-I328 HydrophobicContact CB-CG1 4.49Å; L139-I328 HydrophobicContact CB-CG2 3.66Å; L139-I328 HydrophobicContact CD1-CG2 3.44Å; L139-I328 VanDerWaalsContact CD1-CG2 3.44Å; L139-I328 HydrophobicContact CG-CG2 4.19Å; P253-I328 HydrophobicContact CB-CG2 4.46Å; P253-I328 WeakPolarHBondContact CD-O 3.49Å; P253-I328 HydrophobicContact CG-CG2 3.92Å; T325-I328 WeakPolarHBondContact O-CA 3.42Å; T325-I328 PolarHBondContact O-N 3.06Å; R326-I328 PolarHBondContact O-N 3.01Å
329	F	93.9	Very high	94.9	Very high	14 Å²	14	43.2 Å²	43.2	6%	0.061	22%	0.223	C	C	.	.	S	Bend	trans	-114.2	109.2	179.6	-72	-82	0	0	0	110.5	L139 L252 P253 M321 T325 R326 S333 H335	L139-F329 HydrophobicContact CD1-CE2 4Å; L139-F329 HydrophobicContact CD1-CZ 4.17Å; L252-F329 HydrophobicContact CD2-CD1 4.24Å; P253-F329 HydrophobicContact CG-CD1 4.01Å; P253-F329 HydrophobicContact CG-CE1 3.58Å; P253-F329 HydrophobicContact CG-CE2 4.22Å; P253-F329 HydrophobicContact CG-CZ 3.7Å; M321-F329 HydrophobicContact CB-CB 3.77Å; M321-F329 HydrophobicContact CB-CG 4.47Å; M321-F329 HydrophobicContact CE-CB 4.27Å; M321-F329 HydrophobicContact CE-CD2 3.59Å; M321-F329 HydrophobicContact CE-CE2 4.08Å; M321-F329 HydrophobicContact CE-CG 3.97Å; M321-F329 HydrophobicContact CG-CB 3.72Å; M321-F329 HydrophobicContact CG-CD1 4.24Å; M321-F329 HydrophobicContact CG-CG 3.93Å; T325-F329 PolarHBondContact O-N 3.22Å; R326-F329 WeakPolarHBondContact CA-O 3.48Å; F329-S333 WeakPolarHBondContact CD1-OG 3.49Å; F329-H335 HydrophobicContact CD1-CB 4.07Å; F329-H335 HydrophobicContact CE1-CB 3.75Å; F329-H335 AromaticContact CE1-CD2 3.81Å; F329-H335 AromaticContact CE1-CG 3.5Å; F329-H335 AromaticContact CE1-ND1 3.82Å; F329-H335 HydrophobicContact CZ-CB 4.4Å; F329-H335 AromaticContact CZ-CD2 3.63Å; F329-H335 AromaticContact CZ-CG 3.83Å; F329-H335 AromaticContact CZ-NE2 3.94Å
330	P	95.5	Very high	95	Very high	34 Å²	34	42.4 Å²	42.4	22%	0.221	22%	0.221	C	C	.	.			trans	-63.3	164.1	-179.8	-21	32.3	0	0	0	113.4	F248 G332 S333	F248-P330 HydrophobicContact CE2-CB 3.89Å; F248-P330 HydrophobicContact CE2-CG 4.26Å; F248-P330 HydrophobicContact CZ-CB 4.48Å; F248-P330 HydrophobicContact CZ-CG 4.42Å; P330-G332 PolarHBondContact O-N 2.69Å; P330-S333 WeakPolarHBondContact O-CB 3.07Å; P330-S333 PolarHBondContact O-N 2.76Å; P330-S333 VanDerWaalsContact O-N 3.13Å
331	A	97.2	Very high	95	Very high	47 Å²	47	40.7 Å²	40.7	39%	0.388	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	133.9	176.3	0	0	0	0	0	113.1	F248 E320 R326	F248-A331 VanDerWaalsContact CD2-O 3.25Å; F248-A331 WeakPolarHBondContact CD2-O 3.25Å; E320-A331 WeakPolarHBondContact OE2-CA 3.45Å; R326-A331 VanDerWaalsContact NH1-CA 3.25Å
332	G	98.1	Very high	95.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	1.5	-172.6	0	0	0	0	0	115.5	V244 A245 E320 P330	V244-G332 CarbonylContact C-O 3.53Å; V244-G332 WeakPolarHBondContact CA-O 3.32Å; A245-G332 PolarHBondContact N-O 3.01Å; E320-G332 PolarHBondContact OE2-N 3.04Å; P330-G332 PolarHBondContact O-N 2.69Å
333	S	98.2	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-70.8	128.5	169.5	177.6	0	0	0	0	110.8	L252 E320 M321 F329 P330 H335	L252-S333 VanDerWaalsContact CD2-OG 3.31Å; L252-S333 WeakPolarHBondContact CD2-OG 3.41Å; E320-S333 CarbonylContact C-O 3.54Å; E320-S333 VanDerWaalsContact CA-O 3.31Å; E320-S333 WeakPolarHBondContact CA-O 3.16Å; M321-S333 PolarHBondContact N-O 3.13Å; F329-S333 WeakPolarHBondContact CD1-OG 3.49Å; P330-S333 WeakPolarHBondContact O-CB 3.07Å; P330-S333 PolarHBondContact O-N 2.76Å; P330-S333 VanDerWaalsContact O-N 3.13Å; S333-H335 PolarHBondContact OG-N 2.95Å
334	F	98.3	Very high	95.9	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	17%	0.173	C	C	.	.			trans	-106.3	24.3	174.6	-63.5	-47.5	0	0	0	113.1	T243 V244 A245 V314 K316 E320 N336 N337 F341	T243-F334 HydrophobicContact CG2-CB 4.12Å; T243-F334 HydrophobicContact CG2-CD2 4.11Å; T243-F334 WeakPolarHBondContact O-CA 3.42Å; T243-F334 WeakPolarHBondContact O-CB 3.28Å; T243-F334 PolarHBondContact O-N 3.18Å; V244-F334 VanDerWaalsContact C-CD2 3.41Å; A245-F334 VanDerWaalsContact CA-CE2 3.5Å; A245-F334 HydrophobicContact CB-CE2 3.67Å; A245-F334 HydrophobicContact CB-CZ 3.72Å; V314-F334 HydrophobicContact CG2-CD2 4.23Å; V314-F334 HydrophobicContact CG2-CE1 4.12Å; V314-F334 HydrophobicContact CG2-CE2 3.46Å; V314-F334 VanDerWaalsContact CG2-CE2 3.46Å; V314-F334 HydrophobicContact CG2-CZ 3.42Å; V314-F334 VanDerWaalsContact CG2-CZ 3.42Å; K316-F334 HydrophobicContact CB-CZ 4.19Å; K316-F334 HydrophobicContact CG-CE1 4.46Å; K316-F334 HydrophobicContact CG-CZ 4.33Å; E320-F334 HydrophobicContact CB-CD1 4.22Å; E320-F334 HydrophobicContact CB-CE1 3.99Å; F334-N336 VanDerWaalsContact C-N 3.26Å; F334-N336 PolarHBondContact O-N 3.46Å; F334-N337 WeakPolarHBondContact O-CA 3.35Å; F334-N337 WeakPolarHBondContact O-CB 3.38Å; F334-N337 PolarHBondContact O-N 3.49Å; F334-F341 HydrophobicContact CB-CE2 3.78Å; F334-F341 HydrophobicContact CB-CZ 4.38Å; F334-F341 HydrophobicContact CD1-CE2 4.29Å; F334-F341 HydrophobicContact CD1-CZ 4.28Å; F334-F341 AromaticContact CD2-CE2 3.87Å; F334-F341 HydrophobicContact CD2-CE2 3.87Å; F334-F341 HydrophobicContact CE2-CE2 4.49Å; F334-F341 AromaticContact CG-CE2 3.75Å; F334-F341 HydrophobicContact CG-CE2 3.75Å; F334-F341 HydrophobicContact CG-CZ 4.2Å
335	H	97.7	Very high	96.3	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.037	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-47.3	-38.8	-173.6	-175	76.1	0	0	0	115.5	H180 S181 G212 M321 F329 S333 N337 D338	H180-H335 AromaticContact CE1-CE1 3.91Å; H180-H335 AromaticContact CE1-NE2 3.63Å; H180-H335 PolarHBondContact CE1-O 3.06Å; H180-H335 VanDerWaalsContact CE1-O 3.23Å; H180-H335 PolarHBondContact NE2-O 3.23Å; H180-H335 VanDerWaalsContact NE2-O 3.12Å; S181-H335 WeakPolarHBondContact CB-NE2 3.36Å; S181-H335 PolarHBondContact OG-NE2 2.83Å; S181-H335 VanDerWaalsContact OG-NE2 3.12Å; G212-H335 PolarHBondContact O-CE1 3.48Å; G212-H335 VanDerWaalsContact O-CE1 3.26Å; M321-H335 HydrophobicContact CG-CB 4.14Å; M321-H335 HydrophobicContact SD-CB 4.01Å; F329-H335 HydrophobicContact CD1-CB 4.07Å; F329-H335 HydrophobicContact CE1-CB 3.75Å; F329-H335 AromaticContact CE1-CD2 3.81Å; F329-H335 AromaticContact CE1-CG 3.5Å; F329-H335 AromaticContact CE1-ND1 3.82Å; F329-H335 HydrophobicContact CZ-CB 4.4Å; F329-H335 AromaticContact CZ-CD2 3.63Å; F329-H335 AromaticContact CZ-CG 3.83Å; F329-H335 AromaticContact CZ-NE2 3.94Å; S333-H335 PolarHBondContact OG-N 2.95Å; H335-N337 PolarHBondContact O-N 3.38Å; H335-D338 IonicContact ND1-OD2 2.77Å
336	N	95.7	Very high	96.8	Very high	86 Å²	86	29.4 Å²	29.4	46%	0.46	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-69.4	-12.2	177.5	-77.2	-13.8	0	0	0	114.2	M321 F334	M321-N336 HydrophobicContact SD-CB 4.18Å; M321-N336 VanDerWaalsContact SD-CG 3.5Å; M321-N336 PolarHBondContact SD-ND2 3.13Å; F334-N336 VanDerWaalsContact C-N 3.26Å; F334-N336 PolarHBondContact O-N 3.46Å
337	N	97.9	Very high	97.1	Very high	20 Å²	20	27.2 Å²	27.2	11%	0.107	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-115.6	7.4	-174	-53.4	-81.2	0	0	0	113.5	Y319 F334 H335 I339 S340 F341	Y319-N337 PolarHBondContact O-ND2 3.3Å; F334-N337 WeakPolarHBondContact O-CA 3.35Å; F334-N337 WeakPolarHBondContact O-CB 3.38Å; F334-N337 PolarHBondContact O-N 3.49Å; H335-N337 PolarHBondContact O-N 3.38Å; N337-I339 PolarHBondContact O-N 3.26Å; N337-I339 VanDerWaalsContact O-N 3.16Å; N337-S340 PolarHBondContact O-N 2.9Å; N337-F341 HydrophobicContact CB-CD1 3.56Å; N337-F341 HydrophobicContact CB-CD2 3.91Å; N337-F341 HydrophobicContact CB-CE1 3.44Å; N337-F341 VanDerWaalsContact CB-CE1 3.44Å; N337-F341 HydrophobicContact CB-CE2 3.81Å; N337-F341 HydrophobicContact CB-CG 3.79Å; N337-F341 HydrophobicContact CB-CZ 3.58Å; N337-F341 WeakPolarHBondContact O-CB 3.4Å; N337-F341 WeakPolarHBondContact O-CG 3.38Å; N337-F341 PolarHBondContact O-N 3.21Å
338	D	98.7	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-41.9	179	-65.1	-46.8	0	0	0	111.2	H180 G212 Y241 T243 H335 Y342	H180-D338 IonicContact CD2-OD2 2.78Å; H180-D338 IonicContact CE1-OD2 2.81Å; H180-D338 IonicContact NE2-OD2 2.9Å; H180-D338 PolarHBondContact NE2-OD2 3.24Å; G212-D338 WeakPolarHBondContact CA-OD2 3.36Å; Y241-D338 HydrophobicContact CE2-CB 4.09Å; Y241-D338 VanDerWaalsContact CE2-O 3.28Å; Y241-D338 WeakPolarHBondContact CE2-O 3.42Å; Y241-D338 PolarHBondContact OH-O 2.96Å; Y241-D338 VanDerWaalsContact OH-O 3.11Å; T243-D338 WeakPolarHBondContact CB-OD1 3.3Å; T243-D338 PolarHBondContact N-OD1 2.92Å; T243-D338 PolarHBondContact OG1-OD1 3.04Å; H335-D338 IonicContact ND1-OD2 2.77Å; D338-Y342 WeakPolarHBondContact O-CD2 3.24Å
339	I	98.7	Very high	98	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-47.8	174.4	-67.7	170.4	0	0	0	111.4	Q115 H180 L211 N337 F341 Y342 Y343 L346	Q115-I339 HydrophobicContact CB-CD1 3.76Å; Q115-I339 HydrophobicContact CB-CG2 4.19Å; Q115-I339 HydrophobicContact CG-CB 4.34Å; Q115-I339 HydrophobicContact CG-CD1 4.07Å; Q115-I339 HydrophobicContact CG-CG2 4.36Å; H180-I339 HydrophobicContact CB-CD1 3.97Å; L211-I339 HydrophobicContact CB-CG1 4.35Å; L211-I339 HydrophobicContact CD1-CD1 3.84Å; L211-I339 HydrophobicContact CD1-CG1 3.42Å; L211-I339 VanDerWaalsContact CD1-CG1 3.42Å; N337-I339 PolarHBondContact O-N 3.26Å; N337-I339 VanDerWaalsContact O-N 3.16Å; I339-F341 VanDerWaalsContact C-N 3.29Å; I339-F341 PolarHBondContact O-N 2.79Å; I339-Y342 CarbonylContact O-C 3.31Å; I339-Y342 PolarHBondContact O-N 2.94Å; I339-Y343 WeakPolarHBondContact O-CA 3.13Å; I339-Y343 PolarHBondContact O-N 2.86Å; I339-L346 HydrophobicContact CB-CD1 4.23Å; I339-L346 HydrophobicContact CG1-CD1 4.16Å; I339-L346 HydrophobicContact CG2-CD1 3.93Å
340	S	98.5	Very high	98.2	Very high	7 Å²	7	20.1 Å²	20.1	5%	0.049	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-60.2	-35.3	-171.3	-74.3	0	0	0	0	113.7	S282 Y283 N337 Y342	S282-S340 CarbonylContact C-O 3.48Å; S282-S340 WeakPolarHBondContact CA-O 3.45Å; S282-S340 WeakPolarHBondContact CB-O 3.5Å; Y283-S340 PolarHBondContact N-O 3.14Å; Y283-S340 WeakPolarHBondContact O-CB 3.44Å; Y283-S340 PolarHBondContact O-OG 3.45Å; N337-S340 PolarHBondContact O-N 2.9Å; S340-Y342 VanDerWaalsContact C-N 3.27Å; S340-Y342 PolarHBondContact O-N 2.97Å
341	F	98.8	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-65.6	-30.6	177.8	-75.4	-9.1	0	0	0	113.2	T243 N279 S282 V284 L297 A298 V314 Y319 F334 N337 I339	T243-F341 HydrophobicContact CG2-CD2 4.03Å; T243-F341 HydrophobicContact CG2-CE2 4.31Å; N279-F341 PolarHBondContact ND2-O 3.06Å; S282-F341 PolarHBondContact OG-O 3.2Å; V284-F341 HydrophobicContact CG1-CD1 4.48Å; L297-F341 HydrophobicContact CD2-CD1 4.44Å; A298-F341 HydrophobicContact CB-CB 3.7Å; A298-F341 HydrophobicContact CB-CD1 4.32Å; A298-F341 HydrophobicContact CB-CD2 4.09Å; A298-F341 HydrophobicContact CB-CG 3.81Å; V314-F341 HydrophobicContact CB-CE2 4.44Å; V314-F341 HydrophobicContact CB-CZ 4.02Å; V314-F341 HydrophobicContact CG1-CD1 4.4Å; V314-F341 HydrophobicContact CG1-CD2 4.42Å; V314-F341 HydrophobicContact CG1-CE1 3.96Å; V314-F341 HydrophobicContact CG1-CE2 3.98Å; V314-F341 HydrophobicContact CG1-CZ 3.72Å; V314-F341 HydrophobicContact CG2-CE2 3.98Å; V314-F341 HydrophobicContact CG2-CZ 3.91Å; Y319-F341 AromaticContact CD1-CE1 3.75Å; Y319-F341 HydrophobicContact CD1-CE1 3.75Å; Y319-F341 HydrophobicContact CD1-CZ 4.23Å; Y319-F341 HydrophobicContact CD2-CE1 4.33Å; Y319-F341 HydrophobicContact CD2-CZ 4.4Å; Y319-F341 HydrophobicContact CE1-CE1 4.27Å; Y319-F341 AromaticContact CG-CE1 3.79Å; Y319-F341 HydrophobicContact CG-CE1 3.79Å; Y319-F341 AromaticContact CG-CZ 3.85Å; Y319-F341 HydrophobicContact CG-CZ 3.85Å; F334-F341 HydrophobicContact CB-CE2 3.78Å; F334-F341 HydrophobicContact CB-CZ 4.38Å; F334-F341 HydrophobicContact CD1-CE2 4.29Å; F334-F341 HydrophobicContact CD1-CZ 4.28Å; F334-F341 AromaticContact CD2-CE2 3.87Å; F334-F341 HydrophobicContact CD2-CE2 3.87Å; F334-F341 HydrophobicContact CE2-CE2 4.49Å; F334-F341 AromaticContact CG-CE2 3.75Å; F334-F341 HydrophobicContact CG-CE2 3.75Å; F334-F341 HydrophobicContact CG-CZ 4.2Å; N337-F341 HydrophobicContact CB-CD1 3.56Å; N337-F341 HydrophobicContact CB-CD2 3.91Å; N337-F341 HydrophobicContact CB-CE1 3.44Å; N337-F341 VanDerWaalsContact CB-CE1 3.44Å; N337-F341 HydrophobicContact CB-CE2 3.81Å; N337-F341 HydrophobicContact CB-CG 3.79Å; N337-F341 HydrophobicContact CB-CZ 3.58Å; N337-F341 WeakPolarHBondContact O-CB 3.4Å; N337-F341 WeakPolarHBondContact O-CG 3.38Å; N337-F341 PolarHBondContact O-N 3.21Å; I339-F341 VanDerWaalsContact C-N 3.29Å; I339-F341 PolarHBondContact O-N 2.79Å
342	Y	98.9	Very high	98.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-124.8	23	-170.7	-45.9	-66.4	0	0	0	112.6	Y241 T243 P264 I265 A298 D299 A300 V309 D338 I339 S340 Y344 N345 L346	Y241-Y342 HydrophobicContact CE2-CD2 4.04Å; Y241-Y342 HydrophobicContact CE2-CE2 4.28Å; T243-Y342 HydrophobicContact CG2-CE2 4.27Å; P264-Y342 HydrophobicContact CB-CD1 4.3Å; P264-Y342 HydrophobicContact CB-CD2 3.79Å; P264-Y342 HydrophobicContact CB-CE2 4.44Å; P264-Y342 HydrophobicContact CB-CG 3.7Å; P264-Y342 HydrophobicContact CG-CD1 3.69Å; P264-Y342 HydrophobicContact CG-CD2 3.24Å; P264-Y342 HydrophobicContact CG-CE1 3.86Å; P264-Y342 HydrophobicContact CG-CE2 3.42Å; P264-Y342 VanDerWaalsContact CG-CE2 3.42Å; P264-Y342 HydrophobicContact CG-CG 3.37Å; I265-Y342 HydrophobicContact CD1-CD1 3.96Å; I265-Y342 HydrophobicContact CD1-CE1 3.86Å; I265-Y342 HydrophobicContact CG1-CD1 3.74Å; I265-Y342 HydrophobicContact CG1-CE1 4.07Å; A298-Y342 HydrophobicContact CB-CE1 4Å; D299-Y342 PolarHBondContact O-OH 3.02Å; A300-Y342 HydrophobicContact CB-CE1 3.89Å; V309-Y342 HydrophobicContact CG1-CE2 4.4Å; D338-Y342 WeakPolarHBondContact O-CD2 3.24Å; I339-Y342 CarbonylContact O-C 3.31Å; I339-Y342 PolarHBondContact O-N 2.94Å; S340-Y342 VanDerWaalsContact C-N 3.27Å; S340-Y342 PolarHBondContact O-N 2.97Å; Y342-Y344 VanDerWaalsContact C-N 3.35Å; Y342-Y344 PolarHBondContact O-N 2.95Å; Y342-N345 WeakPolarHBondContact O-CB 3.05Å; Y342-N345 PolarHBondContact O-N 2.85Å; Y342-L346 PolarHBondContact O-N 3.4Å
343	Y	98.9	Very high	98.5	Very high	16 Å²	16	22 Å²	22	6%	0.063	11%	0.106	C	C	.	.	H	α-helix	trans	-49.4	-51	-172	179.4	-76.7	0	0	0	112.7	T114 S117 A118 Y283 I339 L346 Q347	T114-Y343 VanDerWaalsContact O-CE2 3.27Å; T114-Y343 WeakPolarHBondContact O-CE2 2.99Å; S117-Y343 VanDerWaalsContact CB-OH 3.32Å; S117-Y343 WeakPolarHBondContact CB-OH 2.95Å; S117-Y343 PolarHBondContact O-OH 2.86Å; S117-Y343 PolarHBondContact OG-OH 3.32Å; S117-Y343 VanDerWaalsContact OG-OH 3.06Å; A118-Y343 VanDerWaalsContact CA-CZ 3.44Å; A118-Y343 HydrophobicContact CB-CD1 4.31Å; A118-Y343 HydrophobicContact CB-CD2 3.71Å; A118-Y343 HydrophobicContact CB-CE1 4.18Å; A118-Y343 HydrophobicContact CB-CE2 3.61Å; A118-Y343 HydrophobicContact CB-CG 4.08Å; A118-Y343 PolarHBondContact N-OH 3.43Å; Y283-Y343 VanDerWaalsContact CB-CG 3.43Å; Y283-Y343 AromaticContact CD1-CD2 3.84Å; Y283-Y343 HydrophobicContact CD1-CD2 3.84Å; Y283-Y343 AromaticContact CD1-CE2 3.69Å; Y283-Y343 HydrophobicContact CD1-CE2 3.69Å; Y283-Y343 HydrophobicContact CE1-CE2 4.41Å; Y283-Y343 HydrophobicContact CG-CD2 4.02Å; Y283-Y343 HydrophobicContact CG-CE2 4.14Å; Y283-Y343 HydrophobicContact CG-CG 4.26Å; I339-Y343 WeakPolarHBondContact O-CA 3.13Å; I339-Y343 PolarHBondContact O-N 2.86Å; Y343-L346 PolarHBondContact O-N 2.76Å; Y343-Q347 PolarHBondContact O-N 3.15Å
344	Y	98.9	Very high	98.5	Very high	53 Å²	53	23.3 Å²	23.3	21%	0.208	11%	0.112	C	C	.	.	H	α-helix	trans	-77.7	-22.1	-175.9	-71.7	-79.2	0	0	0	112.8	L280 G281 K293 Y342 Q348	L280-Y344 WeakPolarHBondContact O-CB 3.3Å; G281-Y344 WeakPolarHBondContact O-CD2 3.33Å; G281-Y344 PolarHBondContact O-N 2.77Å; K293-Y344 HydrophobicContact CB-CE2 3.76Å; K293-Y344 HydrophobicContact CD-CD2 3.87Å; K293-Y344 HydrophobicContact CD-CE1 4.22Å; K293-Y344 HydrophobicContact CD-CE2 3.36Å; K293-Y344 HydrophobicContact CG-CD2 4Å; K293-Y344 HydrophobicContact CG-CE2 3.38Å; Y342-Y344 VanDerWaalsContact C-N 3.35Å; Y342-Y344 PolarHBondContact O-N 2.95Å; Y344-Q348 PolarHBondContact O-N 3.06Å; Y344-Q348 VanDerWaalsContact O-N 3.13Å
345	N	98.9	Very high	98.5	Very high	4 Å²	4	26 Å²	26	2%	0.021	13%	0.134	C	C	.	.	H	α-helix	trans	-71.8	-43.4	169.6	-64.6	85.7	0	0	0	110.9	P264 W267 N279 L280 Y342 Q347 Q348 N349	P264-N345 WeakPolarHBondContact O-CB 3.35Å; W267-N345 HydrophobicContact CZ2-CB 4.3Å; W267-N345 WeakPolarHBondContact CZ2-O 3.39Å; N279-N345 PolarHBondContact OD1-OD1 3.2Å; L280-N345 PolarHBondContact N-OD1 2.99Å; Y342-N345 WeakPolarHBondContact O-CB 3.05Å; Y342-N345 PolarHBondContact O-N 2.85Å; N345-Q347 VanDerWaalsContact C-N 3.33Å; N345-Q347 PolarHBondContact O-N 3.27Å; N345-Q348 PolarHBondContact O-N 3.29Å; N345-N349 WeakPolarHBondContact O-CB 3.11Å; N345-N349 PolarHBondContact O-N 3.03Å
346	L	98.9	Very high	98.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.8	-45.4	174.1	-72.7	167.2	0	0	0	111.3	F119 Y209 L211 W267 I339 Y342 Y343 N349 A350	F119-L346 HydrophobicContact CZ-CB 4.14Å; F119-L346 HydrophobicContact CZ-CD1 4.49Å; F119-L346 HydrophobicContact CZ-CD2 4.35Å; Y209-L346 HydrophobicContact CD1-CD2 3.7Å; Y209-L346 HydrophobicContact CE1-CD2 3.87Å; L211-L346 HydrophobicContact CD1-CD1 4Å; L211-L346 HydrophobicContact CD1-CD2 4.13Å; W267-L346 HydrophobicContact CH2-CD2 4.16Å; I339-L346 HydrophobicContact CB-CD1 4.23Å; I339-L346 HydrophobicContact CG1-CD1 4.16Å; I339-L346 HydrophobicContact CG2-CD1 3.93Å; Y342-L346 PolarHBondContact O-N 3.4Å; Y343-L346 PolarHBondContact O-N 2.76Å; L346-N349 PolarHBondContact O-N 2.86Å; L346-A350 WeakPolarHBondContact O-CB 3.21Å; L346-A350 PolarHBondContact O-N 3.22Å
347	Q	98.9	Very high	98.6	Very high	35 Å²	35	25.1 Å²	25.1	16%	0.164	13%	0.127	C	C	.	.	H	α-helix	trans	-56.9	-57.1	176.2	-178.9	169.8	43.2	0	0	112	A118 T121 Y343 N345 N349 A350 E351	A118-Q347 WeakPolarHBondContact O-CA 3.45Å; A118-Q347 WeakPolarHBondContact O-CB 3.09Å; A118-Q347 WeakPolarHBondContact O-CG 2.98Å; T121-Q347 WeakPolarHBondContact OG1-CG 3.2Å; T121-Q347 PolarHBondContact OG1-NE2 3.37Å; T121-Q347 VanDerWaalsContact OG1-NE2 3.16Å; Y343-Q347 PolarHBondContact O-N 3.15Å; N345-Q347 VanDerWaalsContact C-N 3.33Å; N345-Q347 PolarHBondContact O-N 3.27Å; Q347-N349 PolarHBondContact O-N 3.11Å; Q347-A350 PolarHBondContact O-N 2.9Å; Q347-E351 WeakPolarHBondContact CG-OE1 3.39Å; Q347-E351 WeakPolarHBondContact O-CG 3.01Å; Q347-E351 PolarHBondContact O-N 2.82Å; Q347-E351 VanDerWaalsContact O-N 3.1Å
348	Q	98.9	Very high	98.6	Very high	106 Å²	106	26.4 Å²	26.4	50%	0.495	13%	0.132	S	C	.	.	H	α-helix	trans	-58.8	-38	179.6	179.2	178.5	80.7	0	0	111.8	L280 Y344 N345 N352	L280-Q348 HydrophobicContact CD1-CB 3.87Å; L280-Q348 VanDerWaalsContact CD1-CD 3.45Å; L280-Q348 HydrophobicContact CD1-CG 4.27Å; Y344-Q348 PolarHBondContact O-N 3.06Å; Y344-Q348 VanDerWaalsContact O-N 3.13Å; N345-Q348 PolarHBondContact O-N 3.29Å; Q348-N352 WeakPolarHBondContact O-CB 3.48Å; Q348-N352 PolarHBondContact O-N 2.9Å
349	N	98.8	Very high	98.5	Very high	4 Å²	4	30 Å²	30	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-74.5	-33.9	-177.2	177.9	-105.9	0	0	0	113	Y209 P232 W267 N345 L346 Q347 N352 R353	Y209-N349 PolarHBondContact OH-OD1 2.82Å; P232-N349 PolarHBondContact O-ND2 2.83Å; W267-N349 HydrophobicContact CD2-CB 4.37Å; W267-N349 VanDerWaalsContact CE2-CB 3.49Å; W267-N349 HydrophobicContact CH2-CB 3.63Å; W267-N349 WeakPolarHBondContact CH2-OD1 3.26Å; W267-N349 HydrophobicContact CZ2-CB 3.09Å; W267-N349 HydrophobicContact CZ3-CB 4.45Å; N345-N349 WeakPolarHBondContact O-CB 3.11Å; N345-N349 PolarHBondContact O-N 3.03Å; L346-N349 PolarHBondContact O-N 2.86Å; Q347-N349 PolarHBondContact O-N 3.11Å; N349-N352 PolarHBondContact O-N 2.81Å; N349-R353 WeakPolarHBondContact O-CG 3.36Å; N349-R353 PolarHBondContact O-N 2.86Å; N349-R353 VanDerWaalsContact OD1-CZ 3.31Å; N349-R353 PolarHBondContact OD1-NH1 3.13Å
350	A	98.9	Very high	98.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-44.6	172.1	0	0	0	0	0	111.1	F119 S122 I176 Y209 L346 Q347 N352 R353 E354	F119-A350 HydrophobicContact CD1-CB 3.74Å; F119-A350 HydrophobicContact CE1-CB 4.11Å; S122-A350 VanDerWaalsContact OG-CB 3.23Å; S122-A350 WeakPolarHBondContact OG-CB 3.16Å; I176-A350 HydrophobicContact CD1-CB 4.15Å; Y209-A350 HydrophobicContact CE2-CB 4.29Å; Y209-A350 VanDerWaalsContact OH-CA 3.28Å; Y209-A350 WeakPolarHBondContact OH-CA 3.33Å; Y209-A350 PolarHBondContact OH-N 3.4Å; L346-A350 WeakPolarHBondContact O-CB 3.21Å; L346-A350 PolarHBondContact O-N 3.22Å; Q347-A350 PolarHBondContact O-N 2.9Å; A350-N352 VanDerWaalsContact C-N 3.34Å; A350-N352 PolarHBondContact O-N 2.78Å; A350-R353 PolarHBondContact O-N 2.86Å; A350-E354 WeakPolarHBondContact O-CB 3.22Å; A350-E354 PolarHBondContact O-N 2.66Å
351	E	98.8	Very high	98.1	Very high	74 Å²	74	38.7 Å²	38.7	35%	0.346	20%	0.202	S	C	.	.	H	α-helix	trans	-59.4	-43.7	172.8	-67.5	165.8	179.7	0	0	111.7	T121 S122 Q347 E354 A355	T121-E351 WeakPolarHBondContact CB-OE1 3.31Å; T121-E351 PolarHBondContact OG1-OE1 2.82Å; S122-E351 PolarHBondContact OG-N 3.18Å; Q347-E351 WeakPolarHBondContact CG-OE1 3.39Å; Q347-E351 WeakPolarHBondContact O-CG 3.01Å; Q347-E351 PolarHBondContact O-N 2.82Å; Q347-E351 VanDerWaalsContact O-N 3.1Å; E351-E354 PolarHBondContact O-N 2.98Å; E351-A355 WeakPolarHBondContact O-CB 3.4Å; E351-A355 PolarHBondContact O-N 2.85Å
352	N	98.8	Very high	97.2	Very high	46 Å²	46	42.3 Å²	42.3	25%	0.246	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-50.4	176.7	-176.9	56.2	0	0	0	111.2	P232 D233 Q348 N349 A350 E354 A355 Q356	P232-N352 PolarHBondContact O-ND2 2.89Å; D233-N352 PolarHBondContact OD1-ND2 2.71Å; Q348-N352 WeakPolarHBondContact O-CB 3.48Å; Q348-N352 PolarHBondContact O-N 2.9Å; N349-N352 PolarHBondContact O-N 2.81Å; A350-N352 VanDerWaalsContact C-N 3.34Å; A350-N352 PolarHBondContact O-N 2.78Å; N352-E354 VanDerWaalsContact C-N 3.33Å; N352-E354 PolarHBondContact O-N 2.73Å; N352-A355 WeakPolarHBondContact O-CB 3.42Å; N352-A355 PolarHBondContact O-N 2.93Å; N352-A355 VanDerWaalsContact O-N 3.13Å; N352-Q356 VanDerWaalsContact O-CG 3.31Å; N352-Q356 WeakPolarHBondContact O-CG 3.33Å; N352-Q356 PolarHBondContact O-N 3.24Å
353	R	98.7	Very high	95.6	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.5	-35.7	-178.7	-73.2	-165.6	175.9	109.7	7.8	113	I206 Y209 G231 D234 T235 N349 A350 Q356 Y357	I206-R353 HydrophobicContact CG2-CB 3.8Å; I206-R353 WeakPolarHBondContact CG2-O 3.41Å; Y209-R353 PolarHBondContact OH-NH1 2.83Å; G231-R353 PolarHBondContact O-NH2 2.71Å; D234-R353 WeakPolarHBondContact O-CD 3.43Å; D234-R353 WeakPolarHBondContact O-CG 3.22Å; D234-R353 PolarHBondContact O-NE 2.82Å; T235-R353 WeakPolarHBondContact CG2-O 3.46Å; N349-R353 WeakPolarHBondContact O-CG 3.36Å; N349-R353 PolarHBondContact O-N 2.86Å; N349-R353 VanDerWaalsContact OD1-CZ 3.31Å; N349-R353 PolarHBondContact OD1-NH1 3.13Å; A350-R353 PolarHBondContact O-N 2.86Å; R353-Q356 PolarHBondContact O-N 3.33Å; R353-Y357 WeakPolarHBondContact O-CB 3.36Å; R353-Y357 PolarHBondContact O-N 2.95Å
354	E	98.1	Very high	93.6	Very high	27 Å²	27	53 Å²	53	13%	0.126	30%	0.298	C	S	.	.	H	α-helix	trans	-58	-49.7	170.7	-177.3	-174.1	-170.4	0	0	110.5	S74 A76 S122 I206 A350 E351 N352 Q356 Y357 F358	S74-E354 PolarHBondContact OG-OE1 2.89Å; A76-E354 HydrophobicContact CB-CG 4.11Å; A76-E354 WeakPolarHBondContact CB-OE1 3.25Å; S122-E354 VanDerWaalsContact CA-OE2 3.32Å; S122-E354 WeakPolarHBondContact CA-OE2 3.16Å; I206-E354 HydrophobicContact CD1-CB 4.41Å; I206-E354 HydrophobicContact CD1-CG 4.24Å; A350-E354 WeakPolarHBondContact O-CB 3.22Å; A350-E354 PolarHBondContact O-N 2.66Å; E351-E354 PolarHBondContact O-N 2.98Å; N352-E354 VanDerWaalsContact C-N 3.33Å; N352-E354 PolarHBondContact O-N 2.73Å; E354-Q356 PolarHBondContact O-N 3.05Å; E354-Y357 PolarHBondContact O-N 2.79Å; E354-F358 HydrophobicContact CG-CD2 3.85Å; E354-F358 HydrophobicContact CG-CE2 3.52Å; E354-F358 WeakPolarHBondContact O-CD2 3.37Å; E354-F358 PolarHBondContact O-N 3.45Å; E354-F358 VanDerWaalsContact O-N 3.1Å
355	A	98.2	Very high	91	Very high	57 Å²	57	55.5 Å²	55.5	47%	0.471	32%	0.319	S	S	.	.	H	α-helix	trans	-61.3	-43.6	177.9	0	0	0	0	0	112.6	E351 N352 Y357 F358 A359	E351-A355 WeakPolarHBondContact O-CB 3.4Å; E351-A355 PolarHBondContact O-N 2.85Å; N352-A355 WeakPolarHBondContact O-CB 3.42Å; N352-A355 PolarHBondContact O-N 2.93Å; N352-A355 VanDerWaalsContact O-N 3.13Å; A355-Y357 VanDerWaalsContact C-N 3.33Å; A355-Y357 PolarHBondContact O-N 3.49Å; A355-F358 PolarHBondContact O-N 3.03Å; A355-A359 WeakPolarHBondContact O-CB 3.3Å; A355-A359 PolarHBondContact O-N 3.38Å
356	Q	98.4	Very high	88.6	Confident	56 Å²	56	62.7 Å²	62.7	26%	0.262	35%	0.352	S	S	.	.	H	α-helix	trans	-63	-39.6	176.5	-64.5	-57.7	-23.3	0	0	111.7	D233 T235 N352 R353 E354 F358 A359 M360	D233-Q356 HydrophobicContact CB-CG 3.97Å; T235-Q356 HydrophobicContact CG2-CB 3.77Å; N352-Q356 VanDerWaalsContact O-CG 3.31Å; N352-Q356 WeakPolarHBondContact O-CG 3.33Å; N352-Q356 PolarHBondContact O-N 3.24Å; R353-Q356 PolarHBondContact O-N 3.33Å; E354-Q356 PolarHBondContact O-N 3.05Å; Q356-F358 PolarHBondContact O-N 2.58Å; Q356-A359 PolarHBondContact O-N 2.65Å; Q356-M360 WeakPolarHBondContact O-CG 3.43Å; Q356-M360 PolarHBondContact O-N 3.34Å
357	Y	97.8	Very high	85.9	Confident	20 Å²	20	69.2 Å²	69.2	8%	0.078	39%	0.392	C	S	.	.	H	α-helix	trans	-61.9	-47.4	178.6	-177	-85.1	0	0	0	110.9	P174 D203 R204 I206 R353 E354 A355 A359 M360 H361	P174-Y357 HydrophobicContact CB-CD1 3.82Å; P174-Y357 HydrophobicContact CB-CE1 3.38Å; P174-Y357 HydrophobicContact CG-CD1 4.08Å; P174-Y357 HydrophobicContact CG-CE1 3.83Å; D203-Y357 PolarHBondContact O-OH 3.37Å; R204-Y357 WeakPolarHBondContact CA-OH 3.25Å; I206-Y357 HydrophobicContact CG1-CD1 4.14Å; I206-Y357 HydrophobicContact CG1-CD2 3.96Å; I206-Y357 HydrophobicContact CG1-CG 3.72Å; R353-Y357 WeakPolarHBondContact O-CB 3.36Å; R353-Y357 PolarHBondContact O-N 2.95Å; E354-Y357 PolarHBondContact O-N 2.79Å; A355-Y357 VanDerWaalsContact C-N 3.33Å; A355-Y357 PolarHBondContact O-N 3.49Å; Y357-A359 VanDerWaalsContact C-N 3.33Å; Y357-A359 PolarHBondContact O-N 3.23Å; Y357-M360 PolarHBondContact O-N 3.3Å; Y357-H361 HydrophobicContact CD1-CB 4.47Å; Y357-H361 AromaticContact CD1-ND1 3.97Å; Y357-H361 AromaticContact CD2-CE1 3.98Å; Y357-H361 AromaticContact CD2-ND1 3.81Å; Y357-H361 HydrophobicContact CE1-CB 4.05Å; Y357-H361 AromaticContact CE1-CG 3.97Å; Y357-H361 AromaticContact CE1-ND1 3.8Å; Y357-H361 AromaticContact CE2-CE1 3.64Å; Y357-H361 AromaticContact CE2-ND1 3.66Å; Y357-H361 AromaticContact CG-ND1 3.96Å; Y357-H361 AromaticContact CZ-CE1 3.92Å; Y357-H361 AromaticContact CZ-CG 3.93Å; Y357-H361 AromaticContact CZ-ND1 3.64Å; Y357-H361 WeakPolarHBondContact O-CB 3.42Å; Y357-H361 PolarHBondContact O-N 2.72Å; Y357-H361 PolarHBondContact O-ND1 3.29Å
358	F	97.2	Very high	83.1	Confident	48 Å²	48	73.6 Å²	73.6	21%	0.211	42%	0.421	C	S	.	.	H	α-helix	trans	-67.8	-31	178.1	-73.1	-57.8	0	0	0	113.3	Q75 A76 P174 E354 A355 Q356 M360 H361	Q75-F358 HydrophobicContact CB-CE1 4.14Å; Q75-F358 HydrophobicContact CB-CE2 4.25Å; Q75-F358 HydrophobicContact CB-CZ 3.57Å; A76-F358 HydrophobicContact CB-CE2 4.28Å; A76-F358 HydrophobicContact CB-CZ 4.2Å; P174-F358 HydrophobicContact CG-CE1 3.63Å; P174-F358 HydrophobicContact CG-CZ 3.58Å; E354-F358 HydrophobicContact CG-CD2 3.85Å; E354-F358 HydrophobicContact CG-CE2 3.52Å; E354-F358 WeakPolarHBondContact O-CD2 3.37Å; E354-F358 PolarHBondContact O-N 3.45Å; E354-F358 VanDerWaalsContact O-N 3.1Å; A355-F358 PolarHBondContact O-N 3.03Å; Q356-F358 PolarHBondContact O-N 2.58Å; F358-M360 VanDerWaalsContact C-N 3.32Å; F358-H361 CarbonylContact O-C 3.5Å; F358-H361 VanDerWaalsContact O-C 3.31Å; F358-H361 PolarHBondContact O-N 3.11Å
359	A	97.1	Very high	80.9	Confident	74 Å²	74	71 Å²	71	61%	0.612	41%	0.411	S	S	*	.	H	α-helix	trans	-65.6	-36.2	172.5	0	0	0	0	0	112.2	A355 Q356 Y357	A355-A359 WeakPolarHBondContact O-CB 3.3Å; A355-A359 PolarHBondContact O-N 3.38Å; Q356-A359 PolarHBondContact O-N 2.65Å; Y357-A359 VanDerWaalsContact C-N 3.33Å; Y357-A359 PolarHBondContact O-N 3.23Å
360	M	95.2	Very high	78.3	Confident	110 Å²	110	76.6 Å²	76.6	54%	0.542	45%	0.448	S	S	.	.	H	α-helix	trans	-79.5	-26.2	176.5	-65.8	178.3	-171.1	0	0	113.3	Q356 Y357 F358 P362	Q356-M360 WeakPolarHBondContact O-CG 3.43Å; Q356-M360 PolarHBondContact O-N 3.34Å; Y357-M360 PolarHBondContact O-N 3.3Å; F358-M360 VanDerWaalsContact C-N 3.32Å; M360-P362 VanDerWaalsContact C-CD 3.42Å; M360-P362 WeakPolarHBondContact O-CD 3.31Å
361	H	92.2	Very high	75.9	Confident	83 Å²	83	83.3 Å²	83.3	38%	0.384	48%	0.484	S	S	.	.	S	Bend	trans	-123.4	66.5	-177.8	-55.4	86.8	0	0	0	111.1	Y357 F358	Y357-H361 HydrophobicContact CD1-CB 4.47Å; Y357-H361 AromaticContact CD1-ND1 3.97Å; Y357-H361 AromaticContact CD2-CE1 3.98Å; Y357-H361 AromaticContact CD2-ND1 3.81Å; Y357-H361 HydrophobicContact CE1-CB 4.05Å; Y357-H361 AromaticContact CE1-CG 3.97Å; Y357-H361 AromaticContact CE1-ND1 3.8Å; Y357-H361 AromaticContact CE2-CE1 3.64Å; Y357-H361 AromaticContact CE2-ND1 3.66Å; Y357-H361 AromaticContact CG-ND1 3.96Å; Y357-H361 AromaticContact CZ-CE1 3.92Å; Y357-H361 AromaticContact CZ-CG 3.93Å; Y357-H361 AromaticContact CZ-ND1 3.64Å; Y357-H361 WeakPolarHBondContact O-CB 3.42Å; Y357-H361 PolarHBondContact O-N 2.72Å; Y357-H361 PolarHBondContact O-ND1 3.29Å; F358-H361 CarbonylContact O-C 3.5Å; F358-H361 VanDerWaalsContact O-C 3.31Å; F358-H361 PolarHBondContact O-N 3.11Å
362	P	80.5	Confident	73.4	Confident	76 Å²	76	84.2 Å²	84.2	49%	0.494	49%	0.488	S	S	.	.			trans	-60.8	141.3	-179.5	25.4	-33.6	0	0	0	111.2	M360 G364 T365	M360-P362 VanDerWaalsContact C-CD 3.42Å; M360-P362 WeakPolarHBondContact O-CD 3.31Å; P362-G364 PolarHBondContact O-N 2.82Å; P362-T365 PolarHBondContact O-OG1 3.15Å
363	Q	66	Low	70.2	Confident	160 Å²	160	89.6 Å²	89.6	75%	0.748	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	127.6	-179.4	-71.8	-173.8	-38.7	0	0	111.6
364	G	55.6	Low	67.2	Low	80 Å²	80	94.8 Å²	94.8	83%	0.825	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	126.3	-18.4	-175.2	0	0	0	0	0	114	P362	P362-G364 PolarHBondContact O-N 2.82Å
365	T	45.6	Very low	64.4	Low	105 Å²	105	98.2 Å²	98.2	64%	0.644	58%	0.578	S	S	*	*			trans	-104	57.6	171	52.8	0	0	0	0	111	P362	P362-T365 PolarHBondContact O-OG1 3.15Å
366	Q	47.3	Very low	61.4	Low	156 Å²	156	103.3 Å²	103.3	73%	0.729	59%	0.592	S	S	*	*			trans	-85.7	110.7	167.1	-79.7	-168.4	-18.6	0	0	109.2	T368	Q366-T368 PolarHBondContact O-N 3.48Å
367	T	42.4	Very low	58.2	Low	137 Å²	137	109.6 Å²	109.6	84%	0.84	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-66	117.1	156.9	43.1	0	0	0	0	107.2	D369	T367-D369 PolarHBondContact O-N 3.29Å
368	T	41.1	Very low	55.3	Low	126 Å²	126	117.3 Å²	117.3	77%	0.773	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-62.2	125.3	171.6	41.8	0	0	0	0	108.8	Q366 P370	Q366-T368 PolarHBondContact O-N 3.48Å; T368-P370 WeakPolarHBondContact O-CD 3.35Å
369	D	52	Low	52.3	Low	51 Å²	51	120.8 Å²	120.8	27%	0.273	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-63.6	117.4	166.7	179.3	-7.8	0	0	0	108	T367 N371 Q372	T367-D369 PolarHBondContact O-N 3.29Å; D369-N371 PolarHBondContact O-N 3.39Å; D369-N371 PolarHBondContact OD1-N 3.14Å; D369-Q372 HydrophobicContact CB-CG 4.3Å; D369-Q372 PolarHBondContact O-N 3.1Å
370	P	44	Very low	49.4	Very low	123 Å²	123	126 Å²	126	80%	0.799	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-10.2	-177.5	24.3	-31.6	0	0	0	114	T368	T368-P370 WeakPolarHBondContact O-CD 3.35Å
371	N	48.6	Very low	46.7	Very low	141 Å²	141	125.6 Å²	125.6	75%	0.754	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	4.5	178.2	-72.9	-31	0	0	0	114.7	D369 Q373	D369-N371 PolarHBondContact O-N 3.39Å; D369-N371 PolarHBondContact OD1-N 3.14Å; N371-Q373 PolarHBondContact O-N 3.29Å
372	Q	45.5	Very low	44.2	Very low	93 Å²	93	129.1 Å²	129.1	44%	0.435	73%	0.731	S	S	.	*			trans	-90.5	103.3	175.1	-73.7	-171.6	-6.1	0	0	112.3	N172 D369	N172-Q372 PolarHBondContact ND2-NE2 2.93Å; N172-Q372 PolarHBondContact ND2-OE1 2.79Å; N172-Q372 PolarHBondContact OD1-NE2 3.45Å; D369-Q372 HydrophobicContact CB-CG 4.3Å; D369-Q372 PolarHBondContact O-N 3.1Å
373	Q	33.5	Very low	42.7	Very low	158 Å²	158	130.7 Å²	130.7	74%	0.738	74%	0.736	S	S	*	*			trans	-79.6	131.5	159.5	-154.3	170.7	-30.8	0	0	108.1	N371 A375	N371-Q373 PolarHBondContact O-N 3.29Å; Q373-A375 PolarHBondContact O-N 3.35Å
374	P	34.9	Very low	41.8	Very low	110 Å²	110	128.7 Å²	128.7	71%	0.714	74%	0.737	S	S	*	*			trans	-56.1	136	-179.7	-22.3	31	0	0	0	110.7	Q376	P374-Q376 PolarHBondContact O-N 3.03Å
375	A	39.6	Very low	41.1	Very low	99 Å²	99	131.4 Å²	131.4	82%	0.818	73%	0.732	S	S	*	*			trans	-51.6	111.7	173.1	0	0	0	0	0	109.1	Q373 Q377	Q373-A375 PolarHBondContact O-N 3.35Å; A375-Q377 PolarHBondContact O-N 3.48Å; A375-Q377 VanDerWaalsContact O-N 3.13Å
376	Q	34.1	Very low	41	Very low	163 Å²	163	134.8 Å²	134.8	76%	0.762	74%	0.741	S	S	*	*			trans	-65.3	114.3	171.3	-68.9	-177.5	-5.4	0	0	106.6	P374 E378	P374-Q376 PolarHBondContact O-N 3.03Å; Q376-E378 PolarHBondContact O-N 3.37Å
377	Q	31.6	Very low	40.7	Very low	188 Å²	188	135.7 Å²	135.7	88%	0.879	75%	0.745	S	S	*	*			trans	-58.2	109.9	167.5	-72.8	178.8	-7.7	0	0	107.2	A375	A375-Q377 PolarHBondContact O-N 3.48Å; A375-Q377 VanDerWaalsContact O-N 3.13Å
378	E	36.6	Very low	40.7	Very low	182 Å²	182	135.5 Å²	135.5	85%	0.85	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-58.6	129.5	169.9	-75.5	-175.7	151.5	0	0	108.5	Q376 Q380	Q376-E378 PolarHBondContact O-N 3.37Å; E378-Q380 PolarHBondContact O-N 3.06Å
379	P	35.4	Very low	40.6	Very low	122 Å²	122	136.4 Å²	136.4	79%	0.792	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-65.2	126.7	-178.3	25.1	-31.7	0	0	0	109.5	A381	P379-A381 PolarHBondContact O-N 3.34Å; P379-A381 VanDerWaalsContact O-N 3.15Å
380	Q	36.2	Very low	40.1	Very low	184 Å²	184	146.3 Å²	146.3	86%	0.86	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-50	121	173.9	-76.2	-176.9	-25.7	0	0	110.2	E378 I382	E378-Q380 PolarHBondContact O-N 3.06Å; Q380-I382 PolarHBondContact O-N 3.33Å; Q380-I382 VanDerWaalsContact O-N 3.16Å
381	A	38.8	Very low	40	Very low	101 Å²	101	147.5 Å²	147.5	84%	0.835	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-60.6	116.1	172.7	0	0	0	0	0	109.4	P379 D383	P379-A381 PolarHBondContact O-N 3.34Å; P379-A381 VanDerWaalsContact O-N 3.15Å; A381-D383 PolarHBondContact O-N 3.13Å
382	I	38.7	Very low	39.5	Very low	156 Å²	156	147.8 Å²	147.8	80%	0.8	80%	0.795	S	S	*	*			trans	-72.7	113.2	170.6	-57.5	175.3	0	0	0	106.8	Q380 P384	Q380-I382 PolarHBondContact O-N 3.33Å; Q380-I382 VanDerWaalsContact O-N 3.16Å; I382-P384 VanDerWaalsContact O-CD 3.25Å; I382-P384 WeakPolarHBondContact O-CD 3.43Å
383	D	49.1	Very low	39.2	Very low	110 Å²	110	150.8 Å²	150.8	59%	0.588	82%	0.815	S	S	*	*			trans	-62.8	116.6	173.5	-179.3	-4.4	0	0	0	110.2	A381 N385	A381-D383 PolarHBondContact O-N 3.13Å; D383-N385 VanDerWaalsContact C-N 3.26Å; D383-N385 PolarHBondContact O-N 2.95Å; D383-N385 PolarHBondContact OD1-N 3.29Å
384	P	47.7	Very low	39.5	Very low	118 Å²	118	150.4 Å²	150.4	77%	0.766	82%	0.82	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-0.1	-177.6	-13.6	29.6	0	0	0	115.4	I382	I382-P384 VanDerWaalsContact O-CD 3.25Å; I382-P384 WeakPolarHBondContact O-CD 3.43Å
385	N	40.8	Very low	39.8	Very low	137 Å²	137	152.9 Å²	152.9	73%	0.733	83%	0.826	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	14.5	-170.4	-99.3	-2.7	0	0	0	116.9	D383 Q387	D383-N385 VanDerWaalsContact C-N 3.26Å; D383-N385 PolarHBondContact O-N 2.95Å; D383-N385 PolarHBondContact OD1-N 3.29Å; N385-Q387 PolarHBondContact O-N 3.22Å
386	Q	43.5	Very low	39.8	Very low	175 Å²	175	156.5 Å²	156.5	82%	0.818	83%	0.827	S	S	*	*			trans	-81.5	71	163.4	-68.3	-166.8	8.5	0	0	110.9	T388	Q386-T388 PolarHBondContact O-N 2.99Å
387	Q	41.2	Very low	40.2	Very low	176 Å²	176	156.1 Å²	156.1	82%	0.822	83%	0.832	S	S	*	*			trans	-69.5	109.3	160.7	-81.5	-174.6	-16.3	0	0	108.8	N385 V389	N385-Q387 PolarHBondContact O-N 3.22Å; Q387-V389 PolarHBondContact O-N 2.98Å
388	T	41.4	Very low	40.9	Very low	133 Å²	133	153.6 Å²	153.6	82%	0.816	83%	0.828	S	S	*	*			trans	-65.3	121.3	167.3	27.4	0	0	0	0	110	Q386 Q390	Q386-T388 PolarHBondContact O-N 2.99Å; T388-Q390 PolarHBondContact O-N 3.29Å
389	V	38.6	Very low	41.2	Very low	144 Å²	144	151.3 Å²	151.3	87%	0.873	83%	0.826	S	S	*	*			trans	-64.7	123.6	168	-178.9	0	0	0	0	108	Q387	Q387-V389 PolarHBondContact O-N 2.98Å
390	Q	43.3	Very low	41.7	Very low	259 Å²	259	153.9 Å²	153.9	100%	1.21	83%	0.829	S	S	*	*			trans	-71.1	0	171.9	-80.5	-173.9	-10.6	0	0	112.4	T388	T388-Q390 PolarHBondContact O-N 3.29Å

Retrieved 390 of 390 residues in 510.6 ms (Link to these results)

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