A0A087X3L6_POEFO Loading...

Glycylpeptide N-tetradecanoyltransferase

Adds a myristoyl group to the N-terminal glycine residue of certain cellular proteins.

AlphaFold DB , UniProt , Accession A0A087X3L6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 457 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	33.2	Very low	32.6	Very low	238 Å²	238	147.9 Å²	147.9	100%	1.172	80%	0.796	S	S	*	*				0	95.8	0	-70.5	177.8	174.2	0	0	106.6
2	C	24.9	Very low	32.4	Very low	108 Å²	108	151 Å²	151	73%	0.73	80%	0.802	S	S	*	*				71.7	108.4	92.5	-85.6	0	0	0	0	114.1
3	F	25.6	Very low	32.1	Very low	162 Å²	162	148.6 Å²	148.6	71%	0.711	81%	0.805	S	S	*	*			trans	62	115.3	141.1	-66.9	-77.8	0	0	0	119.7
4	R	28	Very low	31.7	Very low	212 Å²	212	143.4 Å²	143.4	80%	0.8	80%	0.802	S	S	*	*				77.9	123.9	106.6	-84	-177.1	179.9	174.8	-2.9	111.7
5	D	30.5	Very low	31.4	Very low	157 Å²	157	138.5 Å²	138.5	84%	0.84	80%	0.797	S	S	*	*				-157.7	157.9	75	-80.5	-41.7	0	0	0	114.9
6	K	28.2	Very low	31.2	Very low	199 Å²	199	138.9 Å²	138.9	87%	0.865	80%	0.795	S	S	*	*			trans	-132.9	176.9	168.1	-106.3	-166.7	-175.2	-172.5	0	105.4
7	P	49.9	Very low	31	Very low	111 Å²	111	140.8 Å²	140.8	72%	0.721	79%	0.792	S	S	*	*			cis	-139.7	-131.9	-5.7	35	-8.6	0	0	0	109.6
8	P	47.3	Very low	30.8	Very low	100 Å²	100	144.1 Å²	144.1	65%	0.649	80%	0.796	S	S	*	*			cis	-121.4	179.3	-36	27.4	-3.4	0	0	0	110.7
9	T	31.3	Very low	30.9	Very low	114 Å²	114	140.4 Å²	140.4	70%	0.699	78%	0.782	S	S	*	*				-172.9	124.8	62.6	39.1	0	0	0	0	107.7
10	D	31.1	Very low	31.3	Very low	153 Å²	153	145.1 Å²	145.1	82%	0.818	79%	0.794	S	S	*	*				67.8	127.5	101.4	-58.3	-35	0	0	0	113.9
11	G	28.9	Very low	31.5	Very low	73 Å²	73	147 Å²	147	75%	0.753	79%	0.794	S	S	*	*			cis	-143.9	140.3	31.7	0	0	0	0	0	115.9
12	E	29.6	Very low	31.5	Very low	185 Å²	185	144.4 Å²	144.4	86%	0.864	78%	0.776	S	S	*	*			trans	-54.7	149.1	148.1	-57.8	-179	141.3	0	0	109.6
13	S	28.8	Very low	31.9	Very low	120 Å²	120	149 Å²	149	84%	0.839	79%	0.787	S	S	*	*				165.4	155.6	69.9	45.8	0	0	0	0	106.2
14	G	27	Very low	32.4	Very low	75 Å²	75	150.8 Å²	150.8	77%	0.773	80%	0.795	S	S	*	*			cis	-149.7	151.3	-3.7	0	0	0	0	0	107.1
15	G	27.4	Very low	32.6	Very low	70 Å²	70	151.2 Å²	151.2	72%	0.722	80%	0.796	S	S	*	*				95.9	134.9	76.9	0	0	0	0	0	108.6
16	L	27.6	Very low	32.8	Very low	145 Å²	145	152.7 Å²	152.7	76%	0.759	80%	0.798	S	S	*	*			cis	-164.8	157.1	2.3	-109.2	119.2	0	0	0	106.8
17	K	27.6	Very low	33.2	Very low	172 Å²	172	151 Å²	151	75%	0.748	80%	0.799	S	S	*	*			trans	84.3	120.5	143.1	-81.6	163.6	-179.9	170.9	0	120
18	K	28.3	Very low	32.6	Very low	199 Å²	199	149.2 Å²	149.2	87%	0.865	79%	0.793	S	S	*	*			trans	91	107.9	145.9	-66.4	171	178.9	-178.5	0	117
19	S	31.7	Very low	31.9	Very low	75 Å²	75	156.3 Å²	156.3	52%	0.524	81%	0.807	S	S	.	*				173.2	96	119.5	175.6	0	0	0	0	112.1	K21	S19-K21 PolarHBondContact O-N 3.28Å; S19-K21 WeakPolarHBondContact OG-CA 3.5Å; S19-K21 WeakPolarHBondContact OG-CB 3.19Å; S19-K21 PolarHBondContact OG-N 2.69Å; S19-K21 VanDerWaalsContact OG-N 3.09Å
20	K	38.5	Very low	32.1	Very low	234 Å²	234	161.6 Å²	161.6	100%	1.017	81%	0.814	S	S	*	*	S	Bend	trans	-72.7	46.6	153.4	-93.4	-175.4	172.5	179.9	0	110.4
21	K	35.6	Very low	32.4	Very low	185 Å²	185	160.2 Å²	160.2	80%	0.804	81%	0.813	S	S	*	*			trans	-140.6	25.5	-178.2	-139.3	179.6	-173.3	179.5	0	111.6	S19	S19-K21 PolarHBondContact O-N 3.28Å; S19-K21 WeakPolarHBondContact OG-CA 3.5Å; S19-K21 WeakPolarHBondContact OG-CB 3.19Å; S19-K21 PolarHBondContact OG-N 2.69Å; S19-K21 VanDerWaalsContact OG-N 3.09Å
22	K	33	Very low	33.3	Very low	183 Å²	183	163 Å²	163	80%	0.796	81%	0.806	S	S	*	*			trans	-127.1	35.9	-175.1	-132.1	-174.7	-174.9	-171.6	0	113.5
23	Q	34	Very low	34.3	Very low	206 Å²	206	156.5 Å²	156.5	96%	0.963	79%	0.789	S	S	*	*	S	Bend	trans	-131.1	22.7	165.7	-121.7	178.5	4.7	0	0	111.7
24	K	36.4	Very low	35.1	Very low	199 Å²	199	157.1 Å²	157.1	87%	0.865	79%	0.79	S	S	*	*	S	Bend	trans	-139.9	47	176.7	-139.3	-176	-168	-176.4	0	109.6
25	R	33.2	Very low	36.3	Very low	220 Å²	220	160.4 Å²	160.4	83%	0.83	78%	0.78	S	S	*	*	S	Bend	trans	-161.3	29.8	176.2	-117.8	179.8	-173.6	-164.6	0.8	114.4
26	E	33.6	Very low	38	Very low	188 Å²	188	160.8 Å²	160.8	88%	0.879	77%	0.765	S	S	*	*	S	Bend	trans	-122.7	28.3	173.7	-87.7	-175.8	170.3	0	0	113
27	N	37.2	Very low	39.1	Very low	165 Å²	165	158.4 Å²	158.4	88%	0.882	76%	0.758	S	S	*	*	S	Bend	trans	-124.9	18.8	166.9	-85.9	-18.3	0	0	0	112.6
28	A	36.2	Very low	40.3	Very low	72 Å²	72	155.4 Å²	155.4	60%	0.595	75%	0.745	S	S	*	*	S	Bend	trans	-94.1	1	-174	0	0	0	0	0	114.9
29	W	34	Very low	42.1	Very low	250 Å²	250	148.4 Å²	148.4	95%	0.947	73%	0.725	S	S	*	*			trans	-140	67.9	-179.1	-74.3	72.5	0	0	0	110.7
30	R	34	Very low	43.5	Very low	225 Å²	225	149.2 Å²	149.2	85%	0.849	72%	0.721	S	S	*	*			trans	-101.6	126.6	138.9	-70.3	-172	-177.3	-165.2	0.5	104.9	E32	R30-E32 PolarHBondContact O-N 2.82Å
31	P	37.3	Very low	44.5	Very low	123 Å²	123	139.1 Å²	139.1	80%	0.799	68%	0.678	S	S	*	*			trans	-58.2	114.9	159.6	-0.7	14.2	0	0	0	104.4	G33	P31-G33 VanDerWaalsContact C-N 3.33Å; P31-G33 PolarHBondContact O-N 2.8Å
32	E	48.5	Very low	45.9	Very low	131 Å²	131	134.5 Å²	134.5	61%	0.612	66%	0.662	S	S	*	*			trans	-51.3	114.3	155.8	-74.8	177.5	167.2	0	0	104	R30 R35	R30-E32 PolarHBondContact O-N 2.82Å; E32-R35 IonicContact OE1-NH2 2.86Å; E32-R35 PolarHBondContact OE1-NH2 3.48Å; E32-R35 IonicContact OE2-CZ 3.08Å; E32-R35 IonicContact OE2-NE 3.84Å; E32-R35 PolarHBondContact OE2-NE 2.96Å; E32-R35 IonicContact OE2-NH2 3.62Å; E32-R35 PolarHBondContact OE2-NH2 2.73Å
33	G	51.5	Low	47.8	Very low	49 Å²	49	130.2 Å²	130.2	51%	0.505	66%	0.655	S	S	.	*			trans	-49	154.3	170.1	0	0	0	0	0	108.3	P31 R35	P31-G33 VanDerWaalsContact C-N 3.33Å; P31-G33 PolarHBondContact O-N 2.8Å; G33-R35 PolarHBondContact O-N 2.77Å
34	P	45.3	Very low	49.5	Very low	133 Å²	133	123.1 Å²	123.1	86%	0.864	62%	0.624	S	S	*	*			trans	-46.6	111.3	-175.1	18.3	-29.8	0	0	0	108.5	D36	P34-D36 PolarHBondContact O-N 2.84Å
35	R	51.8	Low	51.2	Low	145 Å²	145	117.2 Å²	117.2	55%	0.547	61%	0.606	S	S	.	*			trans	-54	132.8	-179.2	-71.6	179.7	-176.7	-174.9	-2.4	105.8	E32 G33 P37 M40	E32-R35 IonicContact OE1-NH2 2.86Å; E32-R35 PolarHBondContact OE1-NH2 3.48Å; E32-R35 IonicContact OE2-CZ 3.08Å; E32-R35 IonicContact OE2-NE 3.84Å; E32-R35 PolarHBondContact OE2-NE 2.96Å; E32-R35 IonicContact OE2-NH2 3.62Å; E32-R35 PolarHBondContact OE2-NH2 2.73Å; G33-R35 PolarHBondContact O-N 2.77Å; R35-P37 WeakPolarHBondContact O-CD 3.16Å; R35-M40 HydrophobicContact CB-CG 3.71Å; R35-M40 HydrophobicContact CB-SD 3.57Å; R35-M40 VanDerWaalsContact CB-SD 3.57Å; R35-M40 HydrophobicContact CG-SD 4.4Å
36	D	62.9	Low	52.6	Low	78 Å²	78	111.8 Å²	111.8	42%	0.417	59%	0.59	S	S	.	*			trans	-49.1	115.3	178.8	171.5	14.2	0	0	0	108	P34 F38 A39 M40	P34-D36 PolarHBondContact O-N 2.84Å; D36-F38 PolarHBondContact O-N 2.71Å; D36-F38 WeakPolarHBondContact OD1-CB 3.21Å; D36-F38 WeakPolarHBondContact OD1-CD2 3.46Å; D36-F38 PolarHBondContact OD1-N 2.81Å; D36-A39 HydrophobicContact CB-CB 3.82Å; D36-A39 WeakPolarHBondContact O-CA 3.31Å; D36-A39 WeakPolarHBondContact O-CB 3.47Å; D36-A39 PolarHBondContact O-N 2.92Å; D36-M40 PolarHBondContact O-N 2.86Å
37	P	50.2	Low	53.9	Low	94 Å²	94	109.3 Å²	109.3	61%	0.61	58%	0.576	S	S	*	*	H	α-helix	trans	-54.8	-28	-177.2	-27	35	0	0	0	112	R35 L41	R35-P37 WeakPolarHBondContact O-CD 3.16Å; P37-L41 WeakPolarHBondContact O-CB 3.45Å; P37-L41 PolarHBondContact O-N 3Å
38	F	53.5	Low	55.2	Low	110 Å²	110	106 Å²	106	48%	0.482	56%	0.555	S	S	.	*	H	α-helix	trans	-77.1	-36.1	175.4	-61.9	-76.2	0	0	0	113.1	D36 M40 L41 D42 K213	D36-F38 PolarHBondContact O-N 2.71Å; D36-F38 WeakPolarHBondContact OD1-CB 3.21Å; D36-F38 WeakPolarHBondContact OD1-CD2 3.46Å; D36-F38 PolarHBondContact OD1-N 2.81Å; F38-M40 VanDerWaalsContact C-N 3.29Å; F38-L41 PolarHBondContact O-N 2.94Å; F38-D42 VanDerWaalsContact O-CB 3.32Å; F38-D42 WeakPolarHBondContact O-CB 3.18Å; F38-D42 PolarHBondContact O-N 2.93Å; F38-K213 HydrophobicContact CB-CD 4.49Å
39	A	65.1	Low	56.5	Low	52 Å²	52	104.1 Å²	104.1	43%	0.43	53%	0.534	S	S	.	.	H	α-helix	trans	-68.1	-33.1	172.7	0	0	0	0	0	111.5	D36 S43	D36-A39 HydrophobicContact CB-CB 3.82Å; D36-A39 WeakPolarHBondContact O-CA 3.31Å; D36-A39 WeakPolarHBondContact O-CB 3.47Å; D36-A39 PolarHBondContact O-N 2.92Å; A39-S43 WeakPolarHBondContact O-CB 3.28Å; A39-S43 PolarHBondContact O-N 3.5Å; A39-S43 VanDerWaalsContact O-N 3.16Å; A39-S43 PolarHBondContact O-OG 2.89Å
40	M	61.7	Low	57.6	Low	92 Å²	92	93 Å²	93	45%	0.453	49%	0.493	S	S	.	.	H	α-helix	trans	-66.4	-46.8	170.2	-68.5	-170.7	68	0	0	111.1	R35 D36 F38 S43 L44	R35-M40 HydrophobicContact CB-CG 3.71Å; R35-M40 HydrophobicContact CB-SD 3.57Å; R35-M40 VanDerWaalsContact CB-SD 3.57Å; R35-M40 HydrophobicContact CG-SD 4.4Å; D36-M40 PolarHBondContact O-N 2.86Å; F38-M40 VanDerWaalsContact C-N 3.29Å; M40-S43 PolarHBondContact O-N 3.36Å; M40-S43 PolarHBondContact O-OG 3.27Å; M40-L44 WeakPolarHBondContact O-CG 3.37Å; M40-L44 PolarHBondContact O-N 2.72Å
41	L	60.3	Low	58.9	Low	21 Å²	21	88.2 Å²	88.2	11%	0.11	48%	0.48	C	S	.	.	H	α-helix	trans	-58.1	-50.9	175.2	-173.3	65.9	0	0	0	111.2	P37 F38 S43 L44 Q49 I52 Q53	P37-L41 WeakPolarHBondContact O-CB 3.45Å; P37-L41 PolarHBondContact O-N 3Å; F38-L41 PolarHBondContact O-N 2.94Å; L41-S43 PolarHBondContact O-N 2.55Å; L41-S43 VanDerWaalsContact O-N 3.11Å; L41-L44 HydrophobicContact CD1-CD1 4.28Å; L41-L44 WeakPolarHBondContact O-CB 3.36Å; L41-L44 PolarHBondContact O-N 2.81Å; L41-Q49 HydrophobicContact CD1-CB 4.22Å; L41-Q49 HydrophobicContact CD1-CG 4.22Å; L41-Q49 HydrophobicContact CG-CG 4.38Å; L41-Q49 WeakPolarHBondContact O-CG 3.26Å; L41-Q49 PolarHBondContact O-NE2 3.1Å; L41-I52 HydrophobicContact CD1-CB 4.04Å; L41-I52 HydrophobicContact CD1-CD1 4.06Å; L41-I52 HydrophobicContact CD1-CG2 3.91Å; L41-Q53 HydrophobicContact CD2-CG 4.29Å
42	D	64.3	Low	60	Low	88 Å²	88	85.8 Å²	85.8	47%	0.471	46%	0.46	S	S	.	.	H	α-helix	trans	-61.3	-22.5	-179.9	-66.4	-19.6	0	0	0	112.5	F38 Q49 K213	F38-D42 VanDerWaalsContact O-CB 3.32Å; F38-D42 WeakPolarHBondContact O-CB 3.18Å; F38-D42 PolarHBondContact O-N 2.93Å; D42-Q49 PolarHBondContact O-NE2 2.87Å; D42-Q49 VanDerWaalsContact O-NE2 3.17Å; D42-K213 IonicContact OD2-NZ 2.7Å; D42-K213 PolarHBondContact OD2-NZ 3.38Å
43	S	72.8	Confident	60.3	Low	93 Å²	93	82 Å²	82	65%	0.65	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-11	176.5	74.9	0	0	0	0	114.7	A39 M40 L41	A39-S43 WeakPolarHBondContact O-CB 3.28Å; A39-S43 PolarHBondContact O-N 3.5Å; A39-S43 VanDerWaalsContact O-N 3.16Å; A39-S43 PolarHBondContact O-OG 2.89Å; M40-S43 PolarHBondContact O-N 3.36Å; M40-S43 PolarHBondContact O-OG 3.27Å; L41-S43 PolarHBondContact O-N 2.55Å; L41-S43 VanDerWaalsContact O-N 3.11Å
44	L	69.4	Low	60.4	Low	57 Å²	57	83.8 Å²	83.8	30%	0.298	44%	0.436	S	S	.	.	S	Bend	trans	-78.4	157.1	177.7	-65.3	174.5	0	0	0	111.3	M40 L41 E48 Q49 I52	M40-L44 WeakPolarHBondContact O-CG 3.37Å; M40-L44 PolarHBondContact O-N 2.72Å; L41-L44 HydrophobicContact CD1-CD1 4.28Å; L41-L44 WeakPolarHBondContact O-CB 3.36Å; L41-L44 PolarHBondContact O-N 2.81Å; L44-E48 HydrophobicContact CB-CB 4.31Å; L44-Q49 HydrophobicContact CB-CG 3.86Å; L44-Q49 PolarHBondContact O-NE2 2.87Å; L44-I52 HydrophobicContact CD1-CD1 3.51Å
45	P	73.4	Confident	60.8	Low	75 Å²	75	79.4 Å²	79.4	49%	0.487	41%	0.411	S	S	.	.			trans	-54.4	140.2	166.7	-23	33.5	0	0	0	111.4	K47 E48 Q49	P45-K47 PolarHBondContact O-N 2.91Å; P45-E48 PolarHBondContact O-N 2.96Å; P45-Q49 PolarHBondContact O-N 3.3Å
46	E	61.5	Low	60.9	Low	106 Å²	106	77.2 Å²	77.2	50%	0.495	41%	0.409	S	S	.	.	H	α-helix	trans	-51.1	-34	-176.6	-74.6	-176	171.7	0	0	113	Q49 Q50	E46-Q49 PolarHBondContact O-N 2.82Å; E46-Q50 VanDerWaalsContact O-CG 3.28Å; E46-Q50 WeakPolarHBondContact O-CG 3.44Å; E46-Q50 PolarHBondContact O-N 3.04Å; E46-Q50 VanDerWaalsContact O-N 3.08Å
47	K	61.9	Low	60.2	Low	137 Å²	137	78.2 Å²	78.2	60%	0.596	41%	0.412	S	S	*	.	H	α-helix	trans	-63.9	-44.3	176.8	-171.5	-178	176.3	-172.3	0	113	P45 Q50 E51	P45-K47 PolarHBondContact O-N 2.91Å; K47-Q50 PolarHBondContact O-N 3Å; K47-E51 PolarHBondContact O-N 3.4Å; K47-E51 VanDerWaalsContact O-N 3.17Å
48	E	63.7	Low	60.2	Low	94 Å²	94	79.8 Å²	79.8	44%	0.439	41%	0.414	S	S	.	.	H	α-helix	trans	-71.4	-36.6	178.7	-67	177.3	-166.7	0	0	111	L44 P45 Q50 E51 I52	L44-E48 HydrophobicContact CB-CB 4.31Å; P45-E48 PolarHBondContact O-N 2.96Å; E48-Q50 VanDerWaalsContact C-N 3.27Å; E48-Q50 PolarHBondContact O-N 3.13Å; E48-E51 PolarHBondContact O-N 3.4Å; E48-I52 WeakPolarHBondContact O-CG1 3.15Å; E48-I52 PolarHBondContact O-N 3.23Å; E48-I52 VanDerWaalsContact O-N 3.1Å
49	Q	63	Low	59.6	Low	33 Å²	33	83 Å²	83	15%	0.154	43%	0.428	C	S	.	.	H	α-helix	trans	-56.4	-43.7	171.4	-64	-172.7	17	0	0	111.5	L41 D42 L44 P45 E46 I52 Q53	L41-Q49 HydrophobicContact CD1-CB 4.22Å; L41-Q49 HydrophobicContact CD1-CG 4.22Å; L41-Q49 HydrophobicContact CG-CG 4.38Å; L41-Q49 WeakPolarHBondContact O-CG 3.26Å; L41-Q49 PolarHBondContact O-NE2 3.1Å; D42-Q49 PolarHBondContact O-NE2 2.87Å; D42-Q49 VanDerWaalsContact O-NE2 3.17Å; L44-Q49 HydrophobicContact CB-CG 3.86Å; L44-Q49 PolarHBondContact O-NE2 2.87Å; P45-Q49 PolarHBondContact O-N 3.3Å; E46-Q49 PolarHBondContact O-N 2.82Å; Q49-I52 PolarHBondContact O-N 3.07Å; Q49-Q53 WeakPolarHBondContact O-CB 3.44Å; Q49-Q53 WeakPolarHBondContact O-CG 3.37Å; Q49-Q53 PolarHBondContact O-N 3.46Å
50	Q	58.3	Low	58.8	Low	16 Å²	16	84.1 Å²	84.1	8%	0.075	43%	0.433	C	S	.	.	H	α-helix	trans	-68.2	-38.3	179.3	-73.2	-172.6	-6.8	0	0	113.4	E46 K47 E48 I52 Q53 K54 N146 N369	E46-Q50 VanDerWaalsContact O-CG 3.28Å; E46-Q50 WeakPolarHBondContact O-CG 3.44Å; E46-Q50 PolarHBondContact O-N 3.04Å; E46-Q50 VanDerWaalsContact O-N 3.08Å; K47-Q50 PolarHBondContact O-N 3Å; E48-Q50 VanDerWaalsContact C-N 3.27Å; E48-Q50 PolarHBondContact O-N 3.13Å; Q50-I52 VanDerWaalsContact C-N 3.33Å; Q50-Q53 PolarHBondContact O-N 3.17Å; Q50-K54 VanDerWaalsContact O-CB 3.26Å; Q50-K54 WeakPolarHBondContact O-CB 3.49Å; Q50-K54 WeakPolarHBondContact O-CG 3.37Å; Q50-K54 PolarHBondContact O-N 3.3Å; Q50-N146 HydrophobicContact CB-CB 3.91Å; Q50-N146 HydrophobicContact CG-CB 3.6Å; Q50-N146 WeakPolarHBondContact CG-OD1 3.3Å; Q50-N146 PolarHBondContact NE2-O 2.93Å; Q50-N146 PolarHBondContact OE1-O 3.2Å; Q50-N146 VanDerWaalsContact OE1-O 3.13Å; Q50-N369 PolarHBondContact NE2-ND2 2.88Å; Q50-N369 PolarHBondContact OE1-ND2 2.97Å
51	E	61.2	Low	57.9	Low	125 Å²	125	86.8 Å²	86.8	58%	0.584	45%	0.448	S	S	*	.	H	α-helix	trans	-63.4	-42.9	176.2	-73.8	-173.4	177.8	0	0	111.1	K47 E48 K54 A55	K47-E51 PolarHBondContact O-N 3.4Å; K47-E51 VanDerWaalsContact O-N 3.17Å; E48-E51 PolarHBondContact O-N 3.4Å; E51-K54 PolarHBondContact O-N 2.92Å; E51-A55 WeakPolarHBondContact O-CB 3.41Å; E51-A55 PolarHBondContact O-N 3.44Å
52	I	59.2	Low	57	Low	73 Å²	73	88.2 Å²	88.2	37%	0.374	47%	0.468	S	S	.	.	H	α-helix	trans	-65.9	-43.3	175.6	-65.5	165.5	0	0	0	110.6	L41 L44 E48 Q49 Q50 A55 L56	L41-I52 HydrophobicContact CD1-CB 4.04Å; L41-I52 HydrophobicContact CD1-CD1 4.06Å; L41-I52 HydrophobicContact CD1-CG2 3.91Å; L44-I52 HydrophobicContact CD1-CD1 3.51Å; E48-I52 WeakPolarHBondContact O-CG1 3.15Å; E48-I52 PolarHBondContact O-N 3.23Å; E48-I52 VanDerWaalsContact O-N 3.1Å; Q49-I52 PolarHBondContact O-N 3.07Å; Q50-I52 VanDerWaalsContact C-N 3.33Å; I52-A55 PolarHBondContact O-N 3.43Å; I52-L56 HydrophobicContact CG2-CD1 3.92Å; I52-L56 HydrophobicContact CG2-CG 4.37Å; I52-L56 WeakPolarHBondContact O-CB 3.47Å; I52-L56 VanDerWaalsContact O-CG 3.23Å; I52-L56 WeakPolarHBondContact O-CG 3.32Å; I52-L56 PolarHBondContact O-N 2.88Å
53	Q	56.2	Low	56.4	Low	52 Å²	52	90.2 Å²	90.2	24%	0.243	48%	0.484	C	S	.	.	H	α-helix	trans	-67.1	-37.8	177.8	-74.7	178.6	18.9	0	0	112.7	L41 Q49 Q50 L56 H57 N146	L41-Q53 HydrophobicContact CD2-CG 4.29Å; Q49-Q53 WeakPolarHBondContact O-CB 3.44Å; Q49-Q53 WeakPolarHBondContact O-CG 3.37Å; Q49-Q53 PolarHBondContact O-N 3.46Å; Q50-Q53 PolarHBondContact O-N 3.17Å; Q53-L56 PolarHBondContact O-N 2.72Å; Q53-H57 WeakPolarHBondContact O-CB 3.45Å; Q53-H57 PolarHBondContact O-N 3.35Å; Q53-N146 WeakPolarHBondContact CB-ND2 3.31Å; Q53-N146 PolarHBondContact OE1-OD1 3.37Å
54	K	54	Low	56.1	Low	85 Å²	85	90.1 Å²	90.1	37%	0.37	48%	0.483	S	S	.	.	H	α-helix	trans	-63.1	-44.5	172.8	-77.8	173.3	180	175.8	0	111.2	Q50 E51 H57 L58 N146	Q50-K54 VanDerWaalsContact O-CB 3.26Å; Q50-K54 WeakPolarHBondContact O-CB 3.49Å; Q50-K54 WeakPolarHBondContact O-CG 3.37Å; Q50-K54 PolarHBondContact O-N 3.3Å; E51-K54 PolarHBondContact O-N 2.92Å; K54-H57 PolarHBondContact O-N 3.31Å; K54-L58 WeakPolarHBondContact O-CG 3.25Å; K54-L58 PolarHBondContact O-N 2.99Å; K54-L58 VanDerWaalsContact O-N 3.08Å; K54-N146 HydrophobicContact CG-CB 4.37Å
55	A	53.4	Low	56.6	Low	41 Å²	41	91 Å²	91	34%	0.339	49%	0.488	S	S	.	.	H	α-helix	trans	-61.4	-46.7	174.1	0	0	0	0	0	111.2	E51 I52 H57 L58 F59	E51-A55 WeakPolarHBondContact O-CB 3.41Å; E51-A55 PolarHBondContact O-N 3.44Å; I52-A55 PolarHBondContact O-N 3.43Å; A55-H57 VanDerWaalsContact C-N 3.32Å; A55-H57 PolarHBondContact O-N 3.36Å; A55-L58 WeakPolarHBondContact O-CB 3.31Å; A55-L58 PolarHBondContact O-N 3.46Å; A55-F59 WeakPolarHBondContact O-CD2 3.27Å; A55-F59 PolarHBondContact O-N 3.29Å; A55-F59 VanDerWaalsContact O-N 3.13Å
56	L	52.3	Low	57.3	Low	99 Å²	99	87.6 Å²	87.6	52%	0.518	47%	0.466	S	S	.	.	H	α-helix	trans	-61.6	-37.2	175.7	-72.6	170.2	0	0	0	112.5	I52 Q53 L58 F59 S60	I52-L56 HydrophobicContact CG2-CD1 3.92Å; I52-L56 HydrophobicContact CG2-CG 4.37Å; I52-L56 WeakPolarHBondContact O-CB 3.47Å; I52-L56 VanDerWaalsContact O-CG 3.23Å; I52-L56 WeakPolarHBondContact O-CG 3.32Å; I52-L56 PolarHBondContact O-N 2.88Å; Q53-L56 PolarHBondContact O-N 2.72Å; L56-L58 VanDerWaalsContact C-N 3.34Å; L56-F59 CarbonylContact O-C 3.5Å; L56-F59 PolarHBondContact O-N 2.84Å; L56-S60 WeakPolarHBondContact O-CB 3.35Å; L56-S60 PolarHBondContact O-N 3.01Å
57	H	49.4	Very low	58.4	Low	100 Å²	100	87.1 Å²	87.1	46%	0.463	46%	0.462	S	S	.	.	H	α-helix	trans	-64.2	-39.4	175.9	-171.2	38.5	0	0	0	111.6	Q53 K54 A55 F59 S60	Q53-H57 WeakPolarHBondContact O-CB 3.45Å; Q53-H57 PolarHBondContact O-N 3.35Å; K54-H57 PolarHBondContact O-N 3.31Å; A55-H57 VanDerWaalsContact C-N 3.32Å; A55-H57 PolarHBondContact O-N 3.36Å; H57-F59 VanDerWaalsContact C-N 3.29Å; H57-F59 PolarHBondContact O-N 3.27Å; H57-S60 PolarHBondContact O-N 3.21Å
58	L	49.4	Very low	59.6	Low	127 Å²	127	83.4 Å²	83.4	67%	0.665	45%	0.451	S	S	*	.	H	α-helix	trans	-64.1	-31.5	173.2	-67.9	166.7	0	0	0	112.5	K54 A55 L56 L61	K54-L58 WeakPolarHBondContact O-CG 3.25Å; K54-L58 PolarHBondContact O-N 2.99Å; K54-L58 VanDerWaalsContact O-N 3.08Å; A55-L58 WeakPolarHBondContact O-CB 3.31Å; A55-L58 PolarHBondContact O-N 3.46Å; L56-L58 VanDerWaalsContact C-N 3.34Å; L58-L61 WeakPolarHBondContact O-CD1 3.35Å
59	F	42.3	Very low	60.7	Low	177 Å²	177	83.2 Å²	83.2	78%	0.776	45%	0.452	S	S	*	.	H	α-helix	trans	-83.5	-20.6	173.7	-70.9	-69.6	0	0	0	113.8	A55 L56 H57 L61	A55-F59 WeakPolarHBondContact O-CD2 3.27Å; A55-F59 PolarHBondContact O-N 3.29Å; A55-F59 VanDerWaalsContact O-N 3.13Å; L56-F59 CarbonylContact O-C 3.5Å; L56-F59 PolarHBondContact O-N 2.84Å; H57-F59 VanDerWaalsContact C-N 3.29Å; H57-F59 PolarHBondContact O-N 3.27Å; F59-L61 VanDerWaalsContact C-N 3.29Å; F59-L61 PolarHBondContact O-N 3.11Å
60	S	47.2	Very low	61.8	Low	76 Å²	76	89.1 Å²	89.1	53%	0.531	48%	0.48	S	S	.	.			trans	-84.2	12.2	-176.9	177.5	0	0	0	0	114.2	L56 H57 G62	L56-S60 WeakPolarHBondContact O-CB 3.35Å; L56-S60 PolarHBondContact O-N 3.01Å; H57-S60 PolarHBondContact O-N 3.21Å; S60-G62 PolarHBondContact O-N 2.9Å
61	L	44	Very low	63.3	Low	147 Å²	147	93 Å²	93	77%	0.77	50%	0.498	S	S	*	.			trans	-60.4	-1.2	179.5	-78.2	164	0	0	0	115	L58 F59	L58-L61 WeakPolarHBondContact O-CD1 3.35Å; F59-L61 VanDerWaalsContact C-N 3.29Å; F59-L61 PolarHBondContact O-N 3.11Å
62	G	41	Very low	64.7	Low	52 Å²	52	87 Å²	87	54%	0.536	47%	0.47	S	S	.	.	S	Bend	trans	-103.1	119.4	171	0	0	0	0	0	112.3	S60	S60-G62 PolarHBondContact O-N 2.9Å
63	T	51.9	Low	66.1	Low	130 Å²	130	91.1 Å²	91.1	80%	0.798	49%	0.485	S	S	*	.			trans	92.8	42.6	173.8	69.3	0	0	0	0	118.7
64	S	65.4	Low	67.6	Low	90 Å²	90	95.7 Å²	95.7	63%	0.629	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-75.4	147.4	160.8	53.3	0	0	0	0	111.7
65	L	80.4	Confident	69.2	Low	76 Å²	76	95.4 Å²	95.4	40%	0.398	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-61.8	148.8	170.3	-78	166.5	0	0	0	110	K67 T245	L65-K67 PolarHBondContact O-N 3Å; L65-T245 HydrophobicContact CB-CG2 3.65Å; L65-T245 HydrophobicContact CD1-CG2 4.04Å
66	P	86.9	Confident	70.9	Confident	4 Å²	4	98.3 Å²	98.3	3%	0.026	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-56.2	127.5	179.1	-29	38.9	0	0	0	112.2	Q71 A72 H75 Y77 T245 V246	P66-Q71 HydrophobicContact CB-CB 3.81Å; P66-A72 HydrophobicContact CB-CB 3.97Å; P66-H75 HydrophobicContact CG-CB 3.57Å; P66-Y77 WeakPolarHBondContact CG-OH 3.46Å; P66-T245 CarbonylContact O-C 3.57Å; P66-T245 WeakPolarHBondContact O-CA 3.37Å; P66-V246 HydrophobicContact CB-CB 4.48Å; P66-V246 PolarHBondContact O-N 3.4Å
67	K	86	Confident	72.6	Confident	95 Å²	95	94.3 Å²	94.3	41%	0.413	50%	0.503	S	S	.	.			trans	-99	-13.3	172.9	-66.9	-169.5	175.9	-171.9	0	112.7	L65 E143	L65-K67 PolarHBondContact O-N 3Å; K67-E143 IonicContact NZ-OE1 2.76Å; K67-E143 PolarHBondContact NZ-OE1 3.31Å
68	T	87.1	Confident	74.4	Confident	59 Å²	59	98.6 Å²	98.6	36%	0.362	52%	0.515	S	S	.	.	S	Bend	trans	-127.6	155	-179.9	73.8	0	0	0	0	111.4	Q70 Q71 A72	T68-Q70 PolarHBondContact O-N 2.68Å; T68-Q71 PolarHBondContact O-N 3.06Å; T68-Q71 VanDerWaalsContact O-N 3.17Å; T68-Q71 WeakPolarHBondContact OG1-CG 3.49Å; T68-Q71 PolarHBondContact OG1-N 2.96Å; T68-A72 WeakPolarHBondContact O-CB 3.36Å; T68-A72 PolarHBondContact O-N 2.96Å
69	L	86	Confident	76.3	Confident	90 Å²	90	94 Å²	94	47%	0.471	49%	0.49	S	S	.	.	H	α-helix	trans	-58.2	-32.6	175	-73.6	170.8	0	0	0	112.3	A72 K73 V246 P250	L69-A72 PolarHBondContact O-N 3.27Å; L69-K73 WeakPolarHBondContact O-CG 3.38Å; L69-K73 PolarHBondContact O-N 3.06Å; L69-K73 VanDerWaalsContact O-N 3.1Å; L69-V246 HydrophobicContact CD2-CG1 3.91Å; L69-P250 HydrophobicContact CD2-CG 4.07Å
70	Q	87.3	Confident	78.7	Confident	158 Å²	158	86.9 Å²	86.9	74%	0.738	46%	0.458	S	S	*	.	H	α-helix	trans	-66.9	-45.2	176.5	-70.8	-179.4	-19.8	0	0	111.8	T68 A72	T68-Q70 PolarHBondContact O-N 2.68Å; Q70-A72 VanDerWaalsContact C-N 3.29Å; Q70-A72 PolarHBondContact O-N 2.87Å
71	Q	89.2	Confident	80.7	Confident	96 Å²	96	87.2 Å²	87.2	45%	0.449	45%	0.454	S	S	.	.	H	α-helix	trans	-63.5	-38.4	174.8	-70.7	172.2	-3.4	0	0	111.2	P66 T68 N74 H75	P66-Q71 HydrophobicContact CB-CB 3.81Å; T68-Q71 PolarHBondContact O-N 3.06Å; T68-Q71 VanDerWaalsContact O-N 3.17Å; T68-Q71 WeakPolarHBondContact OG1-CG 3.49Å; T68-Q71 PolarHBondContact OG1-N 2.96Å; Q71-N74 PolarHBondContact O-N 3.46Å; Q71-H75 PolarHBondContact O-N 3.31Å
72	A	89.8	Confident	82.9	Confident	0 Å²	0	84.1 Å²	84.1	0%	0	44%	0.441	C	S	.	.	H	α-helix	trans	-64.4	-40.4	-178.6	0	0	0	0	0	112.7	P66 T68 L69 Q70 N74 H75 Y77 L88 V246	P66-A72 HydrophobicContact CB-CB 3.97Å; T68-A72 WeakPolarHBondContact O-CB 3.36Å; T68-A72 PolarHBondContact O-N 2.96Å; L69-A72 PolarHBondContact O-N 3.27Å; Q70-A72 VanDerWaalsContact C-N 3.29Å; Q70-A72 PolarHBondContact O-N 2.87Å; A72-N74 PolarHBondContact O-N 2.9Å; A72-H75 PolarHBondContact O-N 3.3Å; A72-Y77 WeakPolarHBondContact CA-OH 3.3Å; A72-Y77 WeakPolarHBondContact CB-OH 3.27Å; A72-Y77 WeakPolarHBondContact O-CE2 3.3Å; A72-L88 HydrophobicContact CB-CD1 3.96Å; A72-V246 HydrophobicContact CB-CB 3.92Å; A72-V246 HydrophobicContact CB-CG1 3.41Å; A72-V246 VanDerWaalsContact CB-CG1 3.41Å
73	K	88	Confident	85.4	Confident	160 Å²	160	82.4 Å²	82.4	70%	0.696	42%	0.419	S	S	*	.	H	α-helix	trans	-59.2	-28.2	176.7	-75.6	179.1	-179	-171.8	0	113.5	L69	L69-K73 WeakPolarHBondContact O-CG 3.38Å; L69-K73 PolarHBondContact O-N 3.06Å; L69-K73 VanDerWaalsContact O-N 3.1Å
74	N	88.1	Confident	87.4	Confident	147 Å²	147	76.6 Å²	76.6	79%	0.786	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	3.1	-179.8	-61.9	-17.6	0	0	0	112.6	Q71 A72	Q71-N74 PolarHBondContact O-N 3.46Å; A72-N74 PolarHBondContact O-N 2.9Å
75	H	88.6	Confident	88.8	Confident	79 Å²	79	72.6 Å²	72.6	37%	0.366	36%	0.355	S	S	.	.			trans	-102.3	142.1	-176.1	-166.1	79.5	0	0	0	111.8	P66 Q71 A72 Y77	P66-H75 HydrophobicContact CG-CB 3.57Å; Q71-H75 PolarHBondContact O-N 3.31Å; A72-H75 PolarHBondContact O-N 3.3Å; H75-Y77 HydrophobicContact CB-CD2 4.48Å; H75-Y77 HydrophobicContact CB-CE2 3.83Å; H75-Y77 AromaticContact CD2-CD1 3.74Å; H75-Y77 AromaticContact CD2-CE1 3.58Å; H75-Y77 AromaticContact CD2-CE2 3.9Å; H75-Y77 AromaticContact CD2-CG 4Å; H75-Y77 AromaticContact CD2-CZ 3.68Å; H75-Y77 WeakPolarHBondContact O-CD2 3.42Å
76	T	87.8	Confident	89.3	Confident	103 Å²	103	70 Å²	70	63%	0.632	34%	0.343	S	S	*	.			trans	-97.2	116.8	178.3	-51	0	0	0	0	111	R78	T76-R78 HydrophobicContact CG2-CG 4.25Å; T76-R78 PolarHBondContact O-N 3.07Å
77	Y	88.9	Confident	89.5	Confident	15 Å²	15	72.9 Å²	72.9	6%	0.059	36%	0.355	C	S	.	.			trans	-103.2	64.2	-173.4	-64.2	-89.4	0	0	0	113.8	P66 A72 H75 F79 W80 D81 L88 V246 L247 P248	P66-Y77 WeakPolarHBondContact CG-OH 3.46Å; A72-Y77 WeakPolarHBondContact CA-OH 3.3Å; A72-Y77 WeakPolarHBondContact CB-OH 3.27Å; A72-Y77 WeakPolarHBondContact O-CE2 3.3Å; H75-Y77 HydrophobicContact CB-CD2 4.48Å; H75-Y77 HydrophobicContact CB-CE2 3.83Å; H75-Y77 AromaticContact CD2-CD1 3.74Å; H75-Y77 AromaticContact CD2-CE1 3.58Å; H75-Y77 AromaticContact CD2-CE2 3.9Å; H75-Y77 AromaticContact CD2-CG 4Å; H75-Y77 AromaticContact CD2-CZ 3.68Å; H75-Y77 WeakPolarHBondContact O-CD2 3.42Å; Y77-F79 CarbonylContact O-C 3.54Å; Y77-F79 PolarHBondContact O-N 3.45Å; Y77-W80 PolarHBondContact O-N 3.13Å; Y77-D81 VanDerWaalsContact C-OD2 3.23Å; Y77-D81 WeakPolarHBondContact O-CB 3.28Å; Y77-D81 PolarHBondContact O-N 3Å; Y77-D81 VanDerWaalsContact O-OD2 3.14Å; Y77-L88 HydrophobicContact CD2-CD1 4.38Å; Y77-L88 HydrophobicContact CE2-CD1 3.69Å; Y77-V246 PolarHBondContact OH-O 3.37Å; Y77-L247 HydrophobicContact CE1-CD2 4.16Å; Y77-P248 HydrophobicContact CD1-CG 4.05Å; Y77-P248 HydrophobicContact CD2-CG 3.48Å; Y77-P248 VanDerWaalsContact CD2-CG 3.48Å; Y77-P248 HydrophobicContact CE1-CG 4.36Å; Y77-P248 HydrophobicContact CE2-CG 3.85Å; Y77-P248 HydrophobicContact CG-CG 3.57Å
78	R	88.1	Confident	89.6	Confident	189 Å²	189	70.8 Å²	70.8	71%	0.713	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	-35.3	-174.6	-60.4	-175.4	-175.8	-176.9	1.9	115.9	T76	T76-R78 HydrophobicContact CG2-CG 4.25Å; T76-R78 PolarHBondContact O-N 3.07Å
79	F	88.9	Confident	89.4	Confident	31 Å²	31	70.8 Å²	70.8	14%	0.136	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-56.8	176	171.2	-107.3	0	0	0	111.3	Y77 D81 T82 Q83 P221 I224 R225	Y77-F79 CarbonylContact O-C 3.54Å; Y77-F79 PolarHBondContact O-N 3.45Å; F79-D81 PolarHBondContact O-N 2.88Å; F79-T82 PolarHBondContact O-N 2.83Å; F79-T82 PolarHBondContact O-OG1 3.18Å; F79-Q83 HydrophobicContact CD1-CG 4.26Å; F79-Q83 HydrophobicContact CE1-CG 3.83Å; F79-Q83 HydrophobicContact CE2-CG 4.17Å; F79-Q83 HydrophobicContact CZ-CG 3.78Å; F79-P221 HydrophobicContact CB-CG 4.26Å; F79-P221 HydrophobicContact CD2-CB 3.52Å; F79-P221 HydrophobicContact CD2-CG 3.93Å; F79-P221 HydrophobicContact CE2-CB 3.69Å; F79-P221 HydrophobicContact CE2-CG 4.45Å; F79-P221 HydrophobicContact CG-CB 4.1Å; F79-P221 HydrophobicContact CG-CG 4.01Å; F79-P221 HydrophobicContact CZ-CB 4.43Å; F79-I224 HydrophobicContact CE1-CB 4.46Å; F79-I224 HydrophobicContact CE1-CD1 3.81Å; F79-I224 HydrophobicContact CE1-CG2 4.24Å; F79-I224 HydrophobicContact CZ-CB 3.99Å; F79-I224 HydrophobicContact CZ-CD1 4.18Å; F79-I224 HydrophobicContact CZ-CG2 3.81Å; F79-R225 HydrophobicContact CE2-CG 4.18Å
80	W	91.1	Very high	89.3	Confident	27 Å²	27	70.7 Å²	70.7	10%	0.102	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-64.4	-24.4	-177.1	-65.4	107.9	0	0	0	113.4	Y77 T82 Q83 V85 K87 I224 Y241 L247 P248	Y77-W80 PolarHBondContact O-N 3.13Å; W80-T82 PolarHBondContact O-N 3.22Å; W80-Q83 HydrophobicContact CE3-CB 4.07Å; W80-Q83 HydrophobicContact CE3-CG 4.06Å; W80-Q83 PolarHBondContact O-N 2.98Å; W80-Q83 VanDerWaalsContact O-N 3.08Å; W80-V85 HydrophobicContact CE3-CG1 4.2Å; W80-V85 HydrophobicContact CE3-CG2 4.12Å; W80-V85 HydrophobicContact CZ3-CG1 4.16Å; W80-K87 PolarHBondContact O-NZ 3.44Å; W80-I224 HydrophobicContact CH2-CD1 4.47Å; W80-I224 HydrophobicContact CZ2-CD1 4.27Å; W80-Y241 HydrophobicContact CH2-CE2 4.08Å; W80-Y241 AromaticContact CH2-CZ 3.75Å; W80-Y241 VanDerWaalsContact CH2-OH 3.32Å; W80-Y241 WeakPolarHBondContact CH2-OH 3.44Å; W80-Y241 VanDerWaalsContact CZ3-OH 3.31Å; W80-Y241 WeakPolarHBondContact CZ3-OH 3.09Å; W80-L247 HydrophobicContact CZ2-CD1 3.66Å; W80-P248 HydrophobicContact CB-CG 4.24Å
81	D	90.4	Very high	89.4	Confident	84 Å²	84	71.9 Å²	71.9	45%	0.449	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-59	-28.7	171.6	-66.6	-23.4	0	0	0	111.8	Y77 F79 K87	Y77-D81 VanDerWaalsContact C-OD2 3.23Å; Y77-D81 WeakPolarHBondContact O-CB 3.28Å; Y77-D81 PolarHBondContact O-N 3Å; Y77-D81 VanDerWaalsContact O-OD2 3.14Å; F79-D81 PolarHBondContact O-N 2.88Å; D81-K87 VanDerWaalsContact C-NZ 3.32Å; D81-K87 PolarHBondContact O-NZ 3.27Å
82	T	89.3	Confident	89.4	Confident	82 Å²	82	69 Å²	69	50%	0.503	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-94.5	2.7	178	70.4	0	0	0	0	114.6	F79 W80	F79-T82 PolarHBondContact O-N 2.83Å; F79-T82 PolarHBondContact O-OG1 3.18Å; W80-T82 PolarHBondContact O-N 3.22Å
83	Q	94.1	Very high	89.5	Confident	16 Å²	16	74.6 Å²	74.6	8%	0.075	39%	0.388	C	S	.	.	S	Bend	trans	-104	153.7	-176	-59.9	-54.5	-74.4	0	0	111.3	F79 W80 V85 K87 Y439	F79-Q83 HydrophobicContact CD1-CG 4.26Å; F79-Q83 HydrophobicContact CE1-CG 3.83Å; F79-Q83 HydrophobicContact CE2-CG 4.17Å; F79-Q83 HydrophobicContact CZ-CG 3.78Å; W80-Q83 HydrophobicContact CE3-CB 4.07Å; W80-Q83 HydrophobicContact CE3-CG 4.06Å; W80-Q83 PolarHBondContact O-N 2.98Å; W80-Q83 VanDerWaalsContact O-N 3.08Å; Q83-V85 HydrophobicContact CB-CG2 4.32Å; Q83-V85 PolarHBondContact O-N 2.85Å; Q83-K87 PolarHBondContact O-NZ 2.96Å; Q83-Y439 HydrophobicContact CB-CE2 4.23Å; Q83-Y439 PolarHBondContact OE1-OH 3.25Å; Q83-Y439 VanDerWaalsContact OE1-OH 3.11Å
84	P	94.3	Very high	89.8	Confident	8 Å²	8	70.6 Å²	70.6	5%	0.052	38%	0.377	C	S	.	.	S	Bend	trans	-74.5	67.3	176.6	32.3	-37.6	0	0	0	110.9	V98 E99 Y439 N440	P84-V98 HydrophobicContact CB-CB 4.19Å; P84-V98 HydrophobicContact CB-CG1 4.29Å; P84-E99 HydrophobicContact CB-CB 4.24Å; P84-E99 HydrophobicContact CB-CG 3.95Å; P84-Y439 VanDerWaalsContact CD-OH 3.32Å; P84-Y439 WeakPolarHBondContact CD-OH 3.5Å; P84-Y439 HydrophobicContact CG-CD1 4.25Å; P84-Y439 HydrophobicContact CG-CE1 3.55Å; P84-Y439 HydrophobicContact CG-CE2 4.02Å; P84-Y439 VanDerWaalsContact CG-CZ 3.42Å; P84-N440 HydrophobicContact CB-CB 4.04Å; P84-N440 HydrophobicContact CG-CB 3.97Å; P84-N440 WeakPolarHBondContact O-CA 3.33Å; P84-N440 PolarHBondContact O-N 2.85Å
85	V	94.6	Very high	90.1	Very high	5 Å²	5	67.6 Å²	67.6	3%	0.03	36%	0.358	C	S	.	.	S	Bend	trans	-131.4	151.7	176.5	-62.3	0	0	0	0	109.1	W80 Q83 P248 Y439	W80-V85 HydrophobicContact CE3-CG1 4.2Å; W80-V85 HydrophobicContact CE3-CG2 4.12Å; W80-V85 HydrophobicContact CZ3-CG1 4.16Å; Q83-V85 HydrophobicContact CB-CG2 4.32Å; Q83-V85 PolarHBondContact O-N 2.85Å; V85-P248 WeakPolarHBondContact CG2-O 3.13Å; V85-Y439 HydrophobicContact CG1-CD2 4.15Å
86	T	91.4	Very high	90.4	Very high	23 Å²	23	64.2 Å²	64.2	14%	0.141	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-63.3	143.8	173.2	53.1	0	0	0	0	110.1	V92 P248 T249 K442	T86-V92 HydrophobicContact CG2-CG2 3.81Å; T86-P248 CarbonylContact O-C 3.41Å; T86-T249 PolarHBondContact O-N 2.9Å; T86-T249 PolarHBondContact O-OG1 2.92Å; T86-K442 HydrophobicContact CG2-CB 3.74Å
87	K	90.4	Very high	90.8	Very high	64 Å²	64	61 Å²	61	28%	0.278	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-88.4	159.5	-179.2	-52.2	-59.4	171	-172.6	0	110.5	W80 D81 Q83 G89 D90 T249	W80-K87 PolarHBondContact O-NZ 3.44Å; D81-K87 VanDerWaalsContact C-NZ 3.32Å; D81-K87 PolarHBondContact O-NZ 3.27Å; Q83-K87 PolarHBondContact O-NZ 2.96Å; K87-G89 PolarHBondContact O-N 3.38Å; K87-D90 WeakPolarHBondContact CA-OD2 3.3Å; K87-D90 WeakPolarHBondContact CB-OD2 3.36Å; K87-D90 PolarHBondContact N-OD2 2.92Å; K87-D90 PolarHBondContact O-N 3.47Å; K87-T249 PolarHBondContact O-OG1 2.91Å
88	L	88.1	Confident	91.1	Very high	51 Å²	51	62.8 Å²	62.8	27%	0.267	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	123.7	179.7	-74.7	169	0	0	0	109.3	A72 Y77 P248 T249	A72-L88 HydrophobicContact CB-CD1 3.96Å; Y77-L88 HydrophobicContact CD2-CD1 4.38Å; Y77-L88 HydrophobicContact CE2-CD1 3.69Å; L88-P248 HydrophobicContact CD1-CB 4.42Å; L88-P248 HydrophobicContact CD1-CG 4.07Å; L88-P248 HydrophobicContact CG-CB 3.93Å; L88-P248 HydrophobicContact CG-CG 4.14Å; L88-T249 VanDerWaalsContact CA-OG1 3.24Å; L88-T249 WeakPolarHBondContact CA-OG1 3.27Å; L88-T249 HydrophobicContact CD2-CG2 4.15Å; L88-T249 PolarHBondContact N-OG1 3.03Å; L88-T249 VanDerWaalsContact N-OG1 3.1Å
89	G	82.4	Confident	91.3	Very high	59 Å²	59	59 Å²	59	61%	0.608	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	97	-6.7	-178.7	0	0	0	0	0	114.6	K87 H91	K87-G89 PolarHBondContact O-N 3.38Å; G89-H91 PolarHBondContact O-N 3.48Å
90	D	85.4	Confident	91.3	Very high	87 Å²	87	64.9 Å²	64.9	47%	0.465	36%	0.356	S	S	.	.			trans	-65.4	131.3	173.6	-68.9	-12.5	0	0	0	110.8	K87 V92	K87-D90 WeakPolarHBondContact CA-OD2 3.3Å; K87-D90 WeakPolarHBondContact CB-OD2 3.36Å; K87-D90 PolarHBondContact N-OD2 2.92Å; K87-D90 PolarHBondContact O-N 3.47Å; D90-V92 HydrophobicContact CB-CG2 4.29Å; D90-V92 PolarHBondContact O-N 3.05Å
91	H	87.5	Confident	90.7	Very high	183 Å²	183	66.2 Å²	66.2	85%	0.847	37%	0.372	S	S	*	.			trans	-93.3	93.3	172	-69.3	-71.6	0	0	0	109.8	G89	G89-H91 PolarHBondContact O-N 3.48Å
92	V	90.4	Very high	90	Very high	35 Å²	35	68.2 Å²	68.2	21%	0.212	38%	0.383	C	S	.	.			trans	-89.2	119.4	-179.5	-178.7	0	0	0	0	110.6	T86 D90 T94 K442 P444	T86-V92 HydrophobicContact CG2-CG2 3.81Å; D90-V92 HydrophobicContact CB-CG2 4.29Å; D90-V92 PolarHBondContact O-N 3.05Å; V92-T94 VanDerWaalsContact CG1-O 3.3Å; V92-T94 WeakPolarHBondContact CG1-O 3.42Å; V92-K442 HydrophobicContact CG1-CB 3.89Å; V92-K442 HydrophobicContact CG1-CG 4.2Å; V92-P444 WeakPolarHBondContact O-CA 3.4Å
93	T	91.3	Very high	88.9	Confident	119 Å²	119	69.8 Å²	69.8	73%	0.73	40%	0.404	S	S	*	.			trans	-111.7	-8.2	173.7	55.1	0	0	0	0	113.3
94	T	93.8	Very high	88.3	Confident	75 Å²	75	74 Å²	74	46%	0.46	44%	0.435	S	S	.	.			trans	-105.4	159.4	-177.1	55.5	0	0	0	0	111.5	V92 C443	V92-T94 VanDerWaalsContact CG1-O 3.3Å; V92-T94 WeakPolarHBondContact CG1-O 3.42Å; T94-C443 WeakPolarHBondContact O-CA 3.43Å
95	H	95.7	Very high	88	Confident	85 Å²	85	75.5 Å²	75.5	39%	0.394	44%	0.444	S	S	.	.			trans	-113.8	137.3	178	-60.4	-106.2	0	0	0	109.3	Y196 K442 P444	H95-Y196 AromaticContact CE1-CD1 3.98Å; H95-Y196 AromaticContact CE1-CD2 3.45Å; H95-Y196 VanDerWaalsContact CE1-CD2 3.45Å; H95-Y196 WeakPolarHBondContact CE1-CD2 3.49Å; H95-Y196 AromaticContact CE1-CE2 3.95Å; H95-Y196 AromaticContact CE1-CG 3.47Å; H95-Y196 VanDerWaalsContact CE1-CG 3.47Å; H95-Y196 AromaticContact ND1-CD2 3.81Å; H95-K442 WeakPolarHBondContact CA-O 3.36Å; H95-P444 WeakPolarHBondContact CE1-CD 3.17Å; H95-P444 WeakPolarHBondContact NE2-CD 3.49Å
96	G	95.4	Very high	87.6	Confident	7 Å²	7	80.9 Å²	80.9	7%	0.072	46%	0.464	C	S	.	.	B	Isolated β-bridge	trans	150.9	-174.9	173.3	0	0	0	0	0	114.4	W441 K442	G96-W441 VanDerWaalsContact C-CE3 3.49Å; G96-W441 CarbonylContact O-C 3.54Å; G96-W441 WeakPolarHBondContact O-CA 3.41Å; G96-K442 PolarHBondContact N-O 3.1Å; G96-K442 VanDerWaalsContact N-O 3.1Å; G96-K442 WeakPolarHBondContact O-CG 3.47Å; G96-K442 PolarHBondContact O-N 3.32Å
97	P	95.9	Very high	87.5	Confident	37 Å²	37	84.2 Å²	84.2	24%	0.24	49%	0.489	C	S	.	.			trans	-63	153	172.2	27.7	-33	0	0	0	111.7	E99 N440	P97-E99 WeakPolarHBondContact CB-O 3.49Å; P97-N440 WeakPolarHBondContact CA-O 3.3Å
98	V	94.5	Very high	87.5	Confident	51 Å²	51	86.9 Å²	86.9	31%	0.309	50%	0.502	S	S	.	.	S	Bend	trans	-81	-44.2	171.7	178.3	0	0	0	0	109.2	P84 N440 K442	P84-V98 HydrophobicContact CB-CB 4.19Å; P84-V98 HydrophobicContact CB-CG1 4.29Å; V98-N440 PolarHBondContact N-OD1 2.91Å; V98-K442 HydrophobicContact CG2-CB 4.14Å
99	E	92.4	Very high	87.6	Confident	110 Å²	110	87.4 Å²	87.4	51%	0.514	51%	0.509	S	S	.	.	S	Bend	trans	-125	138.5	174.8	-68.4	175.4	-175.4	0	0	109.1	P84 P97 N440	P84-E99 HydrophobicContact CB-CB 4.24Å; P84-E99 HydrophobicContact CB-CG 3.95Å; P97-E99 WeakPolarHBondContact CB-O 3.49Å; E99-N440 PolarHBondContact N-OD1 3.42Å; E99-N440 PolarHBondContact O-ND2 2.96Å; E99-N440 PolarHBondContact O-OD1 2.95Å; E99-N440 VanDerWaalsContact O-OD1 3.12Å
100	E	88.8	Confident	87.7	Confident	155 Å²	155	85.8 Å²	85.8	72%	0.724	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-64.5	152	173.1	-66.4	-59.9	153.2	0	0	110.7	D102	E100-D102 PolarHBondContact O-N 3.48Å
101	A	79.7	Confident	87.7	Confident	54 Å²	54	88.7 Å²	88.7	45%	0.446	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-67	125.8	179.7	0	0	0	0	0	110.8	A103 Y237	A101-A103 PolarHBondContact O-N 3.05Å; A101-Y237 HydrophobicContact CB-CD1 4.01Å; A101-Y237 HydrophobicContact CB-CD2 3.79Å; A101-Y237 HydrophobicContact CB-CE1 3.92Å; A101-Y237 HydrophobicContact CB-CE2 3.69Å; A101-Y237 HydrophobicContact CB-CG 3.94Å
102	D	74.2	Confident	87.4	Confident	126 Å²	126	81.7 Å²	81.7	67%	0.674	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-64.6	131.9	170.6	-81.6	-31.1	0	0	0	110.5	E100 S104	E100-D102 PolarHBondContact O-N 3.48Å; D102-S104 PolarHBondContact O-N 2.96Å; D102-S104 VanDerWaalsContact O-N 3.15Å
103	A	66.9	Low	87	Confident	115 Å²	115	84 Å²	84	95%	0.95	49%	0.487	S	S	*	.	S	Bend	trans	-65.3	-16	175.9	0	0	0	0	0	113.3	A101	A101-A103 PolarHBondContact O-N 3.05Å
104	S	81.7	Confident	86.5	Confident	104 Å²	104	87.9 Å²	87.9	73%	0.727	50%	0.496	S	S	*	.			trans	-129.9	94.7	-175.9	173.6	0	0	0	0	111.6	D102	D102-S104 PolarHBondContact O-N 2.96Å; D102-S104 VanDerWaalsContact O-N 3.15Å
105	V	87	Confident	86.1	Confident	40 Å²	40	85.6 Å²	85.6	24%	0.242	49%	0.488	C	S	.	.			trans	-79.1	130.6	172.8	-176.3	0	0	0	0	110.1	S107 R229 N232 Q233 Y237	V105-S107 PolarHBondContact O-N 3.49Å; V105-R229 HydrophobicContact CG1-CG 4.39Å; V105-N232 HydrophobicContact CB-CB 4.46Å; V105-N232 HydrophobicContact CG1-CB 3.73Å; V105-N232 HydrophobicContact CG2-CB 3.82Å; V105-Q233 HydrophobicContact CB-CG 4.49Å; V105-Q233 HydrophobicContact CG1-CG 3.78Å; V105-Y237 HydrophobicContact CG2-CE1 4.16Å
106	R	86.9	Confident	85.9	Confident	119 Å²	119	83.9 Å²	83.9	45%	0.449	48%	0.48	S	S	.	.			trans	-55.3	127.8	178.1	-174.6	-178.6	177.4	-165.9	-6.1	111.9	E108 R229	R106-E108 HydrophobicContact CG-CB 4.48Å; R106-E108 IonicContact CZ-OE2 3.87Å; R106-E108 PolarHBondContact NE-O 2.89Å; R106-E108 IonicContact NE-OE2 3.87Å; R106-E108 IonicContact NH2-OE2 2.98Å; R106-E108 PolarHBondContact NH2-OE2 2.82Å; R106-R229 WeakPolarHBondContact O-CD 3.01Å; R106-R229 WeakPolarHBondContact O-CG 3.29Å; R106-R229 PolarHBondContact O-NH1 2.65Å
107	S	88.2	Confident	85.8	Confident	93 Å²	93	85.4 Å²	85.4	65%	0.65	49%	0.489	S	S	*	.			trans	-76	-38.5	178.5	54.6	0	0	0	0	113.5	V105 R229	V105-S107 PolarHBondContact O-N 3.49Å; S107-R229 PolarHBondContact O-NH1 2.67Å
108	E	90.5	Very high	85.8	Confident	119 Å²	119	85.8 Å²	85.8	56%	0.556	49%	0.486	S	S	*	.	S	Bend	trans	-77.9	143.3	-177.3	-64	177.1	172.1	0	0	113.2	R106 R229	R106-E108 HydrophobicContact CG-CB 4.48Å; R106-E108 IonicContact CZ-OE2 3.87Å; R106-E108 PolarHBondContact NE-O 2.89Å; R106-E108 IonicContact NE-OE2 3.87Å; R106-E108 IonicContact NH2-OE2 2.98Å; R106-E108 PolarHBondContact NH2-OE2 2.82Å; E108-R229 WeakPolarHBondContact O-CD 3.42Å; E108-R229 PolarHBondContact O-NE 3.07Å
109	P	90.5	Very high	86	Confident	63 Å²	63	85.6 Å²	85.6	41%	0.409	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-59.6	155.2	173.7	-23	33.8	0	0	0	113.8	E226	P109-E226 WeakPolarHBondContact CA-OE2 3.49Å
110	C	85.6	Confident	86.3	Confident	24 Å²	24	82.8 Å²	82.8	16%	0.162	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-59.6	141.9	167.8	-65.2	0	0	0	0	110.8	L112 W118 V222 E226	C110-L112 PolarHBondContact O-N 2.84Å; C110-W118 HydrophobicContact CB-CZ2 4.21Å; C110-W118 PolarHBondContact O-NE1 3.32Å; C110-V222 HydrophobicContact CB-CG1 4.31Å; C110-E226 HydrophobicContact CB-CB 4.22Å; C110-E226 PolarHBondContact N-OE2 2.79Å
111	L	84.2	Confident	86.7	Confident	149 Å²	149	75.4 Å²	75.4	78%	0.78	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-69.6	132.4	176.9	-65.1	175.8	0	0	0	110.5
112	L	82.8	Confident	87.5	Confident	35 Å²	35	75.8 Å²	75.8	18%	0.183	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-97.6	155.1	167.9	-73.1	171.2	0	0	0	110.1	C110 F116 S117 W118 V174 V222	C110-L112 PolarHBondContact O-N 2.84Å; L112-F116 HydrophobicContact CB-CB 4.21Å; L112-F116 HydrophobicContact CD1-CB 4.22Å; L112-S117 VanDerWaalsContact CD1-C 3.48Å; L112-W118 HydrophobicContact CD1-CD2 3.6Å; L112-W118 HydrophobicContact CD1-CE3 4.09Å; L112-W118 HydrophobicContact CD1-CG 3.83Å; L112-W118 HydrophobicContact CD1-CZ2 4.13Å; L112-W118 HydrophobicContact CD2-CH2 3.87Å; L112-W118 HydrophobicContact CD2-CZ2 3.63Å; L112-W118 HydrophobicContact CD2-CZ3 4.39Å; L112-W118 HydrophobicContact CG-CD2 4.14Å; L112-W118 HydrophobicContact CG-CH2 4.4Å; L112-W118 HydrophobicContact CG-CZ2 3.75Å; L112-V174 HydrophobicContact CD1-CG1 4.31Å; L112-V174 HydrophobicContact CD2-CG2 4.42Å; L112-V222 HydrophobicContact CD2-CG1 3.85Å
113	P	80.6	Confident	88.6	Confident	85 Å²	85	69.9 Å²	69.9	55%	0.552	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-56.7	152.1	167.6	-21.4	33.1	0	0	0	111.4	G115 F116	P113-G115 PolarHBondContact O-N 2.89Å; P113-F116 HydrophobicContact CB-CD2 4.13Å; P113-F116 HydrophobicContact CB-CE2 4.47Å; P113-F116 PolarHBondContact O-N 3.4Å
114	Q	82.1	Confident	89.9	Confident	199 Å²	199	68.4 Å²	68.4	93%	0.93	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	136.9	176.9	-172.6	179.8	9.2	0	0	111.4
115	G	84.2	Confident	90.6	Very high	28 Å²	28	65.3 Å²	65.3	29%	0.289	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	4.9	-179	0	0	0	0	0	114.3	P113 V176 D177	P113-G115 PolarHBondContact O-N 2.89Å; G115-V176 WeakPolarHBondContact O-CA 3.29Å; G115-D177 WeakPolarHBondContact CA-OD2 3.41Å; G115-D177 PolarHBondContact O-N 3.16Å
116	F	91.6	Very high	91.1	Very high	49 Å²	49	68.7 Å²	68.7	22%	0.215	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.4	172.7	-58.9	-87.1	0	0	0	111.4	L112 P113 V174 R175 V176 D177 V183 L214 M219	L112-F116 HydrophobicContact CB-CB 4.21Å; L112-F116 HydrophobicContact CD1-CB 4.22Å; P113-F116 HydrophobicContact CB-CD2 4.13Å; P113-F116 HydrophobicContact CB-CE2 4.47Å; P113-F116 PolarHBondContact O-N 3.4Å; F116-V174 HydrophobicContact CB-CG1 4.09Å; F116-V174 HydrophobicContact CD1-CG1 4Å; F116-V174 HydrophobicContact CG-CG1 4.41Å; F116-R175 CarbonylContact C-O 3.35Å; F116-R175 WeakPolarHBondContact CA-O 3.46Å; F116-V176 HydrophobicContact CD1-CG2 4.1Å; F116-V176 HydrophobicContact CE1-CG2 3.79Å; F116-D177 PolarHBondContact N-OD2 3.07Å; F116-V183 HydrophobicContact CD1-CG2 4.12Å; F116-V183 HydrophobicContact CE1-CG2 4.04Å; F116-L214 HydrophobicContact CE1-CD1 3.84Å; F116-L214 HydrophobicContact CZ-CD1 4.22Å; F116-L214 HydrophobicContact CZ-CD2 4.28Å; F116-M219 HydrophobicContact CE1-CE 4.37Å
117	S	93.1	Very high	91.6	Very high	38 Å²	38	70 Å²	70	27%	0.266	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.4	175	69.8	0	0	0	0	111.4	L112 R175 D177	L112-S117 VanDerWaalsContact CD1-C 3.48Å; S117-R175 PolarHBondContact N-O 3.16Å; S117-R175 PolarHBondContact O-N 3.16Å; S117-D177 WeakPolarHBondContact CB-OD1 3.36Å
118	W	96.7	Very high	92.1	Very high	45 Å²	45	66.5 Å²	66.5	17%	0.17	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	146.5	166.2	-65.8	116.4	0	0	0	110.3	C110 L112 L172 V174 V222 L223 E226	C110-W118 HydrophobicContact CB-CZ2 4.21Å; C110-W118 PolarHBondContact O-NE1 3.32Å; L112-W118 HydrophobicContact CD1-CD2 3.6Å; L112-W118 HydrophobicContact CD1-CE3 4.09Å; L112-W118 HydrophobicContact CD1-CG 3.83Å; L112-W118 HydrophobicContact CD1-CZ2 4.13Å; L112-W118 HydrophobicContact CD2-CH2 3.87Å; L112-W118 HydrophobicContact CD2-CZ2 3.63Å; L112-W118 HydrophobicContact CD2-CZ3 4.39Å; L112-W118 HydrophobicContact CG-CD2 4.14Å; L112-W118 HydrophobicContact CG-CH2 4.4Å; L112-W118 HydrophobicContact CG-CZ2 3.75Å; W118-L172 HydrophobicContact CD2-CD1 4.14Å; W118-L172 HydrophobicContact CE3-CD1 3.46Å; W118-L172 VanDerWaalsContact CE3-CD1 3.46Å; W118-L172 HydrophobicContact CE3-CD2 4.03Å; W118-L172 HydrophobicContact CE3-CG 3.79Å; W118-L172 HydrophobicContact CH2-CD2 4.1Å; W118-L172 HydrophobicContact CZ3-CD1 3.89Å; W118-L172 HydrophobicContact CZ3-CD2 3.55Å; W118-L172 HydrophobicContact CZ3-CG 3.72Å; W118-V174 HydrophobicContact CE3-CG2 3.64Å; W118-V174 HydrophobicContact CH2-CG2 4.16Å; W118-V174 HydrophobicContact CZ3-CG2 3.31Å; W118-V222 HydrophobicContact CH2-CG1 3.91Å; W118-V222 HydrophobicContact CZ2-CG1 3.72Å; W118-L223 HydrophobicContact CH2-CD2 4.43Å; W118-L223 HydrophobicContact CZ3-CD2 3.87Å; W118-E226 HydrophobicContact CD2-CG 4.15Å; W118-E226 HydrophobicContact CE3-CG 4.34Å; W118-E226 HydrophobicContact CH2-CB 3.65Å; W118-E226 HydrophobicContact CH2-CG 3.99Å; W118-E226 HydrophobicContact CZ2-CB 3.6Å; W118-E226 HydrophobicContact CZ2-CG 3.79Å; W118-E226 HydrophobicContact CZ3-CB 4.32Å; W118-E226 HydrophobicContact CZ3-CG 4.26Å
119	D	97.9	Very high	92.5	Very high	48 Å²	48	61.4 Å²	61.4	26%	0.257	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	148.7	168.2	-169.7	20.7	0	0	0	109.4	L121 G173 R175	D119-L121 HydrophobicContact CB-CD2 4.08Å; D119-L121 WeakPolarHBondContact OD2-CD2 3.05Å; D119-G173 PolarHBondContact N-O 3.38Å; D119-G173 PolarHBondContact O-N 2.8Å; D119-R175 HydrophobicContact CB-CG 4.15Å; D119-R175 IonicContact OD2-CZ 3.48Å; D119-R175 IonicContact OD2-NE 3.77Å; D119-R175 PolarHBondContact OD2-NE 2.86Å; D119-R175 IonicContact OD2-NH2 2.71Å; D119-R175 PolarHBondContact OD2-NH2 3.07Å; D119-R175 VanDerWaalsContact OD2-NH2 3.15Å
120	T	98.3	Very high	92.8	Very high	51 Å²	51	60.2 Å²	60.2	31%	0.313	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110.8	173.7	-61.3	0	0	0	0	107.1	D122 L168 N171 R230	T120-D122 PolarHBondContact O-N 2.93Å; T120-L168 HydrophobicContact CG2-CD1 4.1Å; T120-L168 HydrophobicContact CG2-CG 3.76Å; T120-L168 WeakPolarHBondContact CG2-O 3.05Å; T120-N171 WeakPolarHBondContact CA-O 3.45Å; T120-R230 PolarHBondContact OG1-NH1 3.3Å
121	L	98.3	Very high	93.4	Very high	0 Å²	0	61 Å²	61	0%	0	35%	0.346	C	S	.	.			trans	-81.6	109.3	-168.4	-55.7	-165.7	0	0	0	111.4	D119 L123 V128 L132 L168 N171 L182 F185	D119-L121 HydrophobicContact CB-CD2 4.08Å; D119-L121 WeakPolarHBondContact OD2-CD2 3.05Å; L121-L123 HydrophobicContact CB-CD2 4.04Å; L121-L123 PolarHBondContact O-N 2.85Å; L121-V128 HydrophobicContact CB-CG1 3.76Å; L121-V128 HydrophobicContact CD1-CG1 4.45Å; L121-V128 HydrophobicContact CD2-CG1 3.99Å; L121-V128 HydrophobicContact CG-CG1 4.27Å; L121-L132 HydrophobicContact CD1-CB 4.32Å; L121-L132 HydrophobicContact CD1-CD1 4.44Å; L121-L168 VanDerWaalsContact O-CD1 3.31Å; L121-L168 WeakPolarHBondContact O-CD1 3.43Å; L121-N171 HydrophobicContact CB-CB 4.26Å; L121-N171 PolarHBondContact N-O 3.38Å; L121-N171 WeakPolarHBondContact O-CB 3.35Å; L121-L182 HydrophobicContact CD1-CD1 4.08Å; L121-L182 HydrophobicContact CD1-CD2 3.83Å; L121-L182 HydrophobicContact CD2-CD1 4.16Å; L121-F185 HydrophobicContact CD1-CD2 3.55Å; L121-F185 HydrophobicContact CD1-CE2 3.65Å; L121-F185 HydrophobicContact CG-CD2 4.33Å; L121-F185 HydrophobicContact CG-CE2 4.23Å
122	D	97.3	Very high	94.1	Very high	62 Å²	62	53.9 Å²	53.9	33%	0.332	31%	0.309	S	S	.	.			trans	-78.5	99.8	167.9	-178.1	7.8	0	0	0	110.6	T120 S124 S125 V128 L168	T120-D122 PolarHBondContact O-N 2.93Å; D122-S124 PolarHBondContact O-N 3.16Å; D122-S124 VanDerWaalsContact OD1-CB 3.27Å; D122-S124 WeakPolarHBondContact OD1-CB 3.06Å; D122-S124 PolarHBondContact OD1-N 2.94Å; D122-S124 PolarHBondContact OD1-OG 2.66Å; D122-S124 PolarHBondContact OD2-OG 2.91Å; D122-S125 WeakPolarHBondContact O-CB 3.17Å; D122-S125 PolarHBondContact O-N 3.39Å; D122-V128 WeakPolarHBondContact O-CB 3.43Å; D122-L168 HydrophobicContact CB-CD1 3.97Å
123	L	96.7	Very high	94.8	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-7.2	-178.3	-52.4	-177.9	0	0	0	113.2	L121 S125 L129 L132 L158 L161	L121-L123 HydrophobicContact CB-CD2 4.04Å; L121-L123 PolarHBondContact O-N 2.85Å; L123-S125 PolarHBondContact O-N 3.18Å; L123-L129 HydrophobicContact CD2-CD1 4.44Å; L123-L132 HydrophobicContact CD1-CD2 4.37Å; L123-L132 HydrophobicContact CD2-CD2 3.63Å; L123-L158 HydrophobicContact CB-CD2 3.86Å; L123-L161 HydrophobicContact CD1-CB 3.74Å; L123-L161 HydrophobicContact CD1-CD1 3.63Å; L123-L161 HydrophobicContact CD1-CG 4.32Å
124	S	94.1	Very high	95.5	Very high	84 Å²	84	57.3 Å²	57.3	59%	0.587	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-21.9	168.9	76.8	0	0	0	0	112.1	D122 P126	D122-S124 PolarHBondContact O-N 3.16Å; D122-S124 VanDerWaalsContact OD1-CB 3.27Å; D122-S124 WeakPolarHBondContact OD1-CB 3.06Å; D122-S124 PolarHBondContact OD1-N 2.94Å; D122-S124 PolarHBondContact OD1-OG 2.66Å; D122-S124 PolarHBondContact OD2-OG 2.91Å; S124-P126 WeakPolarHBondContact O-CD 3.46Å
125	S	97.1	Very high	96.3	Very high	38 Å²	38	48 Å²	48	27%	0.266	27%	0.269	S	S	.	.	S	Bend	trans	-77.7	117.3	172.3	176.5	0	0	0	0	110.7	D122 L123 F127 V128 L129	D122-S125 WeakPolarHBondContact O-CB 3.17Å; D122-S125 PolarHBondContact O-N 3.39Å; L123-S125 PolarHBondContact O-N 3.18Å; S125-F127 PolarHBondContact O-N 3.37Å; S125-F127 VanDerWaalsContact O-N 3.15Å; S125-V128 PolarHBondContact O-N 2.81Å; S125-L129 WeakPolarHBondContact O-CB 3.34Å; S125-L129 PolarHBondContact O-N 2.96Å
126	P	96.9	Very high	96.8	Very high	111 Å²	111	46.7 Å²	46.7	72%	0.721	26%	0.256	S	S	*	.	H	α-helix	trans	-59.9	-29.1	178.1	-24.2	34.8	0	0	0	113	S124 G130	S124-P126 WeakPolarHBondContact O-CD 3.46Å; P126-G130 PolarHBondContact O-N 3.06Å
127	F	97.6	Very high	96.9	Very high	146 Å²	146	45.2 Å²	45.2	64%	0.64	25%	0.25	S	S	*	.	H	α-helix	trans	-67	-52.7	176.4	178.4	-95.5	0	0	0	111.3	S125 L129 G130 E131	S125-F127 PolarHBondContact O-N 3.37Å; S125-F127 VanDerWaalsContact O-N 3.15Å; F127-L129 VanDerWaalsContact C-N 3.34Å; F127-L129 PolarHBondContact O-N 3.45Å; F127-G130 WeakPolarHBondContact O-CA 3.22Å; F127-G130 PolarHBondContact O-N 3.24Å; F127-G130 VanDerWaalsContact O-N 3.11Å; F127-E131 HydrophobicContact CD1-CG 4.44Å; F127-E131 VanDerWaalsContact CE1-CD 3.43Å; F127-E131 HydrophobicContact CE1-CG 4.05Å; F127-E131 WeakPolarHBondContact CE1-OE2 3.39Å; F127-E131 HydrophobicContact CZ-CG 4.25Å; F127-E131 PolarHBondContact O-N 3.39Å
128	V	98.1	Very high	96.8	Very high	21 Å²	21	46.1 Å²	46.1	13%	0.127	25%	0.25	C	S	.	.	H	α-helix	trans	-64.5	-40.7	-179.2	177.1	0	0	0	0	110.9	L121 D122 S125 G130 E131 L132	L121-V128 HydrophobicContact CB-CG1 3.76Å; L121-V128 HydrophobicContact CD1-CG1 4.45Å; L121-V128 HydrophobicContact CD2-CG1 3.99Å; L121-V128 HydrophobicContact CG-CG1 4.27Å; D122-V128 WeakPolarHBondContact O-CB 3.43Å; S125-V128 PolarHBondContact O-N 2.81Å; V128-G130 VanDerWaalsContact C-N 3.3Å; V128-G130 PolarHBondContact O-N 3.2Å; V128-E131 WeakPolarHBondContact O-CB 3.39Å; V128-E131 PolarHBondContact O-N 3.39Å; V128-L132 PolarHBondContact O-N 2.73Å
129	L	98.2	Very high	96.6	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.063	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-40.1	173.6	-178.2	58.3	0	0	0	111.7	L123 S125 F127 L132 R133 P154 L157 L158	L123-L129 HydrophobicContact CD2-CD1 4.44Å; S125-L129 WeakPolarHBondContact O-CB 3.34Å; S125-L129 PolarHBondContact O-N 2.96Å; F127-L129 VanDerWaalsContact C-N 3.34Å; F127-L129 PolarHBondContact O-N 3.45Å; L129-L132 PolarHBondContact O-N 3.34Å; L129-R133 WeakPolarHBondContact O-CB 3.41Å; L129-R133 PolarHBondContact O-N 3.26Å; L129-P154 HydrophobicContact CD2-CB 3.7Å; L129-P154 HydrophobicContact CG-CB 4.33Å; L129-L157 HydrophobicContact CD1-CB 3.98Å; L129-L157 HydrophobicContact CD1-CD1 4.06Å; L129-L158 HydrophobicContact CD1-CD2 4.42Å; L129-L158 HydrophobicContact CD2-CD1 3.94Å; L129-L158 HydrophobicContact CD2-CD2 4.01Å; L129-L158 HydrophobicContact CD2-CG 3.9Å
130	G	98.1	Very high	96.2	Very high	37 Å²	37	44.4 Å²	44.4	38%	0.381	24%	0.241	S	C	.	.	H	α-helix	trans	-61	-42	173.3	0	0	0	0	0	113.1	P126 F127 V128 H134	P126-G130 PolarHBondContact O-N 3.06Å; F127-G130 WeakPolarHBondContact O-CA 3.22Å; F127-G130 PolarHBondContact O-N 3.24Å; F127-G130 VanDerWaalsContact O-N 3.11Å; V128-G130 VanDerWaalsContact C-N 3.3Å; V128-G130 PolarHBondContact O-N 3.2Å; G130-H134 WeakPolarHBondContact O-CB 3.33Å; G130-H134 PolarHBondContact O-N 2.97Å
131	E	98.2	Very high	95.3	Very high	40 Å²	40	43.5 Å²	43.5	19%	0.187	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-45.7	175.5	-66.8	-175.3	105.2	0	0	112.2	F127 V128 H134 L135 R175 L182	F127-E131 HydrophobicContact CD1-CG 4.44Å; F127-E131 VanDerWaalsContact CE1-CD 3.43Å; F127-E131 HydrophobicContact CE1-CG 4.05Å; F127-E131 WeakPolarHBondContact CE1-OE2 3.39Å; F127-E131 HydrophobicContact CZ-CG 4.25Å; F127-E131 PolarHBondContact O-N 3.39Å; V128-E131 WeakPolarHBondContact O-CB 3.39Å; V128-E131 PolarHBondContact O-N 3.39Å; E131-H134 PolarHBondContact O-N 3.11Å; E131-L135 PolarHBondContact O-N 3Å; E131-R175 VanDerWaalsContact CD-NH1 3.27Å; E131-R175 IonicContact OE1-CZ 2.84Å; E131-R175 IonicContact OE1-NH1 3.91Å; E131-R175 PolarHBondContact OE1-NH1 2.75Å; E131-R175 IonicContact OE1-NH2 3.53Å; E131-R175 IonicContact OE2-CZ 2.73Å; E131-R175 IonicContact OE2-NH1 2.94Å; E131-R175 PolarHBondContact OE2-NH1 3.3Å; E131-R175 VanDerWaalsContact OE2-NH1 3.08Å; E131-R175 IonicContact OE2-NH2 3.73Å; E131-R175 PolarHBondContact OE2-NH2 3.24Å; E131-L182 HydrophobicContact CB-CD2 4.42Å
132	L	98.4	Very high	93.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.4	-48.3	176.6	173.8	58.7	0	0	0	111	L121 L123 V128 L129 H134 L135 L136 L161 L182 F185	L121-L132 HydrophobicContact CD1-CB 4.32Å; L121-L132 HydrophobicContact CD1-CD1 4.44Å; L123-L132 HydrophobicContact CD1-CD2 4.37Å; L123-L132 HydrophobicContact CD2-CD2 3.63Å; V128-L132 PolarHBondContact O-N 2.73Å; L129-L132 PolarHBondContact O-N 3.34Å; L132-H134 VanDerWaalsContact C-N 3.26Å; L132-H134 PolarHBondContact O-N 3.15Å; L132-L135 WeakPolarHBondContact O-CB 3.49Å; L132-L135 PolarHBondContact O-N 2.73Å; L132-L135 VanDerWaalsContact O-N 3.14Å; L132-L136 HydrophobicContact CD1-CD1 3.89Å; L132-L136 HydrophobicContact CD1-CD2 4.44Å; L132-L136 HydrophobicContact CD1-CG 3.9Å; L132-L136 HydrophobicContact CG-CD1 4.03Å; L132-L136 HydrophobicContact CG-CG 4.41Å; L132-L136 WeakPolarHBondContact O-CG 3.45Å; L132-L136 PolarHBondContact O-N 2.76Å; L132-L161 HydrophobicContact CD2-CD1 3.8Å; L132-L182 HydrophobicContact CB-CD2 4.34Å; L132-L182 HydrophobicContact CD1-CD2 4.48Å; L132-F185 HydrophobicContact CD1-CB 3.93Å; L132-F185 HydrophobicContact CD1-CD1 3.4Å; L132-F185 HydrophobicContact CD1-CD2 3.74Å; L132-F185 HydrophobicContact CD1-CE1 3.7Å; L132-F185 HydrophobicContact CD1-CE2 4.04Å; L132-F185 HydrophobicContact CD1-CG 3.4Å; L132-F185 HydrophobicContact CD1-CZ 4Å; L132-F185 HydrophobicContact CD2-CD1 4.46Å; L132-F185 HydrophobicContact CD2-CE1 3.9Å; L132-F185 HydrophobicContact CD2-CE2 4.06Å; L132-F185 HydrophobicContact CD2-CZ 3.66Å; L132-F185 HydrophobicContact CG-CE1 4.45Å
133	R	97.1	Very high	91.9	Very high	87 Å²	87	49 Å²	49	33%	0.328	26%	0.257	S	S	.	.	H	α-helix	trans	-55.2	-44.5	176.4	-179.5	-176.9	172.7	-130.8	-7.3	111.2	L129 L136 N137 N151 F152 L157	L129-R133 WeakPolarHBondContact O-CB 3.41Å; L129-R133 PolarHBondContact O-N 3.26Å; R133-L136 PolarHBondContact O-N 3.4Å; R133-N137 WeakPolarHBondContact O-CB 3.45Å; R133-N137 PolarHBondContact O-N 3.19Å; R133-N137 PolarHBondContact O-ND2 2.88Å; R133-N151 PolarHBondContact NH2-OD1 3.46Å; R133-N151 VanDerWaalsContact NH2-OD1 3.13Å; R133-F152 WeakPolarHBondContact CD-O 3.42Å; R133-F152 WeakPolarHBondContact CG-O 3.44Å; R133-F152 PolarHBondContact NE-O 2.87Å; R133-L157 HydrophobicContact CB-CD1 3.82Å; R133-L157 HydrophobicContact CG-CD1 4.31Å
134	H	96.6	Very high	90	Very high	106 Å²	106	51.2 Å²	51.2	49%	0.491	27%	0.269	S	S	.	.	H	α-helix	trans	-63.3	-46.4	176.7	179.3	69.8	0	0	0	112	G130 E131 L132 L136 E138	G130-H134 WeakPolarHBondContact O-CB 3.33Å; G130-H134 PolarHBondContact O-N 2.97Å; E131-H134 PolarHBondContact O-N 3.11Å; L132-H134 VanDerWaalsContact C-N 3.26Å; L132-H134 PolarHBondContact O-N 3.15Å; H134-L136 PolarHBondContact O-N 2.97Å; H134-E138 WeakPolarHBondContact O-CB 3.27Å; H134-E138 WeakPolarHBondContact O-CG 3.42Å; H134-E138 PolarHBondContact O-N 3.13Å; H134-E138 VanDerWaalsContact O-N 3.12Å
135	L	96.9	Very high	88.5	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-55.5	-50.9	176.5	176.5	70.7	0	0	0	111	E131 L132 E138 N139 L182 F185 C209 H211	E131-L135 PolarHBondContact O-N 3Å; L132-L135 WeakPolarHBondContact O-CB 3.49Å; L132-L135 PolarHBondContact O-N 2.73Å; L132-L135 VanDerWaalsContact O-N 3.14Å; L135-E138 PolarHBondContact O-N 3.05Å; L135-N139 HydrophobicContact CD1-CB 4.42Å; L135-N139 VanDerWaalsContact O-CB 3.24Å; L135-N139 WeakPolarHBondContact O-CB 3.44Å; L135-N139 PolarHBondContact O-N 2.99Å; L135-N139 PolarHBondContact O-ND2 3.45Å; L135-L182 HydrophobicContact CB-CD2 4.23Å; L135-L182 HydrophobicContact CD2-CD2 4Å; L135-L182 HydrophobicContact CD2-CG 4.03Å; L135-F185 HydrophobicContact CD2-CB 3.74Å; L135-C209 HydrophobicContact CD2-CB 4.5Å; L135-H211 HydrophobicContact CD1-CB 4.15Å
136	L	96.1	Very high	86.9	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-65.7	-49.1	-176.4	-65.9	177	0	0	0	111.9	L132 R133 H134 E138 N139 Y140 F152 L157 F207 C209	L132-L136 HydrophobicContact CD1-CD1 3.89Å; L132-L136 HydrophobicContact CD1-CD2 4.44Å; L132-L136 HydrophobicContact CD1-CG 3.9Å; L132-L136 HydrophobicContact CG-CD1 4.03Å; L132-L136 HydrophobicContact CG-CG 4.41Å; L132-L136 WeakPolarHBondContact O-CG 3.45Å; L132-L136 PolarHBondContact O-N 2.76Å; R133-L136 PolarHBondContact O-N 3.4Å; H134-L136 PolarHBondContact O-N 2.97Å; L136-E138 PolarHBondContact O-N 3.06Å; L136-N139 PolarHBondContact O-N 3.27Å; L136-Y140 HydrophobicContact CD2-CD2 4.03Å; L136-Y140 HydrophobicContact CD2-CG 4.37Å; L136-Y140 WeakPolarHBondContact O-CB 3.34Å; L136-Y140 PolarHBondContact O-N 3.44Å; L136-F152 HydrophobicContact CB-CD2 3.76Å; L136-F152 HydrophobicContact CB-CE2 3.98Å; L136-F152 HydrophobicContact CD1-CD2 4.45Å; L136-L157 HydrophobicContact CD1-CD1 4.33Å; L136-L157 HydrophobicContact CD1-CD2 3.61Å; L136-F207 HydrophobicContact CD1-CB 4.35Å; L136-F207 HydrophobicContact CD1-CD1 4.05Å; L136-F207 HydrophobicContact CD1-CG 4.26Å; L136-F207 HydrophobicContact CD2-CB 4.1Å; L136-C209 HydrophobicContact CD2-CB 3.59Å
137	N	93.6	Very high	85.9	Confident	18 Å²	18	43.4 Å²	43.4	10%	0.096	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-34.2	-179	-71.8	-9.9	0	0	0	112.5	R133 F150 F152	R133-N137 WeakPolarHBondContact O-CB 3.45Å; R133-N137 PolarHBondContact O-N 3.19Å; R133-N137 PolarHBondContact O-ND2 2.88Å; N137-F150 PolarHBondContact OD1-O 3.43Å; N137-F152 VanDerWaalsContact OD1-CD2 3.22Å; N137-F152 WeakPolarHBondContact OD1-CD2 3.45Å; N137-F152 PolarHBondContact OD1-N 2.75Å
138	E	91.2	Very high	85.3	Confident	56 Å²	56	37 Å²	37	26%	0.262	19%	0.186	S	C	.	.	H	α-helix	trans	-90.1	-18.7	-178.9	-63.5	-52.6	141	0	0	114.1	H134 L135 L136 R149 K212	H134-E138 WeakPolarHBondContact O-CB 3.27Å; H134-E138 WeakPolarHBondContact O-CG 3.42Å; H134-E138 PolarHBondContact O-N 3.13Å; H134-E138 VanDerWaalsContact O-N 3.12Å; L135-E138 PolarHBondContact O-N 3.05Å; L136-E138 PolarHBondContact O-N 3.06Å; E138-R149 IonicContact OE2-CZ 2.68Å; E138-R149 IonicContact OE2-NH1 3.24Å; E138-R149 PolarHBondContact OE2-NH1 3.29Å; E138-K212 VanDerWaalsContact O-CE 3.25Å; E138-K212 WeakPolarHBondContact O-CE 3.5Å; E138-K212 PolarHBondContact O-NZ 2.97Å
139	N	91.9	Very high	84.8	Confident	8 Å²	8	38 Å²	38	4%	0.043	19%	0.187	C	C	.	.	H	α-helix	trans	-136.8	-1.5	-167.6	-55.2	-90.8	0	0	0	116.1	L135 L136 H211 K212 R215	L135-N139 HydrophobicContact CD1-CB 4.42Å; L135-N139 VanDerWaalsContact O-CB 3.24Å; L135-N139 WeakPolarHBondContact O-CB 3.44Å; L135-N139 PolarHBondContact O-N 2.99Å; L135-N139 PolarHBondContact O-ND2 3.45Å; L136-N139 PolarHBondContact O-N 3.27Å; N139-H211 WeakPolarHBondContact OD1-CA 3.18Å; N139-K212 HydrophobicContact CB-CG 4.45Å; N139-K212 PolarHBondContact OD1-N 3.24Å; N139-R215 PolarHBondContact O-NH2 3.27Å
140	Y	90.4	Very high	84.4	Confident	49 Å²	49	40 Å²	40	19%	0.192	20%	0.196	C	C	.	.	S	Bend	trans	-80.6	-33.5	-174.9	-168.2	-122	0	0	0	113.9	L136 F150 F152 F207 C209 N457	L136-Y140 HydrophobicContact CD2-CD2 4.03Å; L136-Y140 HydrophobicContact CD2-CG 4.37Å; L136-Y140 WeakPolarHBondContact O-CB 3.34Å; L136-Y140 PolarHBondContact O-N 3.44Å; Y140-F150 AromaticContact CD1-CD2 3.85Å; Y140-F150 HydrophobicContact CD1-CD2 3.85Å; Y140-F150 HydrophobicContact CD1-CE2 4.02Å; Y140-F150 HydrophobicContact CE1-CE2 4.45Å; Y140-F152 AromaticContact CD1-CE2 3.85Å; Y140-F152 HydrophobicContact CD1-CE2 3.85Å; Y140-F152 AromaticContact CD1-CZ 3.75Å; Y140-F152 HydrophobicContact CD1-CZ 3.75Å; Y140-F152 HydrophobicContact CE1-CE2 4.47Å; Y140-F152 AromaticContact CE1-CZ 3.97Å; Y140-F152 HydrophobicContact CE1-CZ 3.97Å; Y140-F152 HydrophobicContact CG-CE2 4.39Å; Y140-F207 HydrophobicContact CE1-CD1 4.27Å; Y140-F207 HydrophobicContact CE2-CB 4.47Å; Y140-F207 HydrophobicContact CE2-CD1 4.35Å; Y140-F207 AromaticContact CZ-CD1 3.93Å; Y140-C209 HydrophobicContact CD2-CB 4.07Å; Y140-N457 WeakPolarHBondContact CE1-OXT 3.4Å; Y140-N457 VanDerWaalsContact CZ-OXT 3.22Å; Y140-N457 PolarHBondContact OH-OXT 3.13Å
141	M	78.1	Confident	84.2	Confident	32 Å²	32	41.1 Å²	41.1	16%	0.158	19%	0.193	C	C	.	.			trans	-75.5	144.5	178.3	-66.4	-173.8	67.9	0	0	112.4	F150 R215	M141-F150 HydrophobicContact CE-CE2 4.48Å; M141-F150 HydrophobicContact CG-CD2 3.22Å; M141-F150 HydrophobicContact CG-CE2 3.39Å; M141-F150 HydrophobicContact CG-CG 4.05Å; M141-F150 HydrophobicContact CG-CZ 4.32Å; M141-F150 HydrophobicContact SD-CB 4.46Å; M141-F150 HydrophobicContact SD-CD1 4.3Å; M141-F150 HydrophobicContact SD-CD2 3.61Å; M141-F150 HydrophobicContact SD-CE1 4.48Å; M141-F150 HydrophobicContact SD-CE2 3.85Å; M141-F150 HydrophobicContact SD-CG 3.86Å; M141-F150 HydrophobicContact SD-CZ 4.28Å; M141-F150 PolarHBondContact SD-N 3.32Å; M141-F150 VanDerWaalsContact SD-N 3.37Å; M141-R215 PolarHBondContact O-NH2 2.62Å
142	E	63	Low	84	Confident	122 Å²	122	39.7 Å²	39.7	57%	0.57	19%	0.186	S	C	*	.			trans	-94.3	-29.6	174.8	-66.2	-170.4	168.4	0	0	113.1
143	E	62	Low	83.8	Confident	55 Å²	55	41.1 Å²	41.1	26%	0.257	20%	0.196	S	C	.	.	S	Bend	trans	-93.8	161.8	-175	-64.6	-176.1	161.4	0	0	112.7	K67 D145 K432	K67-E143 IonicContact NZ-OE1 2.76Å; K67-E143 PolarHBondContact NZ-OE1 3.31Å; E143-D145 PolarHBondContact O-N 2.83Å; E143-K432 WeakPolarHBondContact OE2-CE 3.37Å; E143-K432 IonicContact OE2-NZ 2.78Å; E143-K432 PolarHBondContact OE2-NZ 3.11Å
144	D	57.2	Low	83.8	Confident	50 Å²	50	39 Å²	39	27%	0.267	19%	0.193	S	C	.	.			trans	-21.7	85.6	-174.8	-170.1	21.6	0	0	0	114.7	N146 T147	D144-N146 PolarHBondContact O-N 2.87Å; D144-N146 VanDerWaalsContact OD1-CB 3.22Å; D144-N146 WeakPolarHBondContact OD1-CB 3.24Å; D144-N146 PolarHBondContact OD1-N 3.43Å; D144-N146 PolarHBondContact OD1-ND2 3.07Å; D144-T147 PolarHBondContact O-N 3.44Å; D144-T147 PolarHBondContact O-OG1 2.85Å
145	D	60.9	Low	83.7	Confident	20 Å²	20	39.1 Å²	39.1	11%	0.107	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	4.9	179.4	-72.7	-73.2	0	0	0	113.2	E143 R149 K212 L368	E143-D145 PolarHBondContact O-N 2.83Å; D145-R149 VanDerWaalsContact O-CZ 3.24Å; D145-R149 PolarHBondContact O-NE 2.98Å; D145-R149 PolarHBondContact O-NH2 3.25Å; D145-K212 IonicContact OD1-NZ 2.77Å; D145-K212 PolarHBondContact OD1-NZ 3.04Å; D145-K212 WeakPolarHBondContact OD2-CE 3.32Å; D145-K212 IonicContact OD2-NZ 3.08Å; D145-K212 PolarHBondContact OD2-NZ 2.99Å; D145-L368 WeakPolarHBondContact O-CD1 3.38Å
146	N	64.2	Low	83.7	Confident	6 Å²	6	39.3 Å²	39.3	3%	0.032	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-7.8	-174.6	-56.8	-46.7	0	0	0	113.1	Q50 Q53 K54 D144	Q50-N146 HydrophobicContact CB-CB 3.91Å; Q50-N146 HydrophobicContact CG-CB 3.6Å; Q50-N146 WeakPolarHBondContact CG-OD1 3.3Å; Q50-N146 PolarHBondContact NE2-O 2.93Å; Q50-N146 PolarHBondContact OE1-O 3.2Å; Q50-N146 VanDerWaalsContact OE1-O 3.13Å; Q53-N146 WeakPolarHBondContact CB-ND2 3.31Å; Q53-N146 PolarHBondContact OE1-OD1 3.37Å; K54-N146 HydrophobicContact CG-CB 4.37Å; D144-N146 PolarHBondContact O-N 2.87Å; D144-N146 VanDerWaalsContact OD1-CB 3.22Å; D144-N146 WeakPolarHBondContact OD1-CB 3.24Å; D144-N146 PolarHBondContact OD1-N 3.43Å; D144-N146 PolarHBondContact OD1-ND2 3.07Å
147	T	75.9	Confident	83.8	Confident	43 Å²	43	39.3 Å²	39.3	26%	0.264	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-55.2	-179.4	54.5	0	0	0	0	111.3	D144 L368	D144-T147 PolarHBondContact O-N 3.44Å; D144-T147 PolarHBondContact O-OG1 2.85Å; T147-L368 PolarHBondContact O-N 3.08Å
148	I	85	Confident	83.9	Confident	10 Å²	10	40.9 Å²	40.9	5%	0.051	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	131.5	-174.2	-59.7	169.5	0	0	0	108.8	V269 Y271 R366 L376	I148-V269 HydrophobicContact CD1-CG2 4.46Å; I148-Y271 HydrophobicContact CD1-CD2 4.13Å; I148-R366 WeakPolarHBondContact CA-O 3.37Å; I148-L376 HydrophobicContact CD1-CD1 3.55Å; I148-L376 HydrophobicContact CG1-CD1 4.16Å; I148-L376 HydrophobicContact CG2-CD1 4.36Å
149	R	87.6	Confident	84.2	Confident	43 Å²	43	38.4 Å²	38.4	16%	0.162	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	150.4	173.7	-68.7	-175.6	-168.5	157.6	12.4	111	E138 D145 S365 R366 L368	E138-R149 IonicContact OE2-CZ 2.68Å; E138-R149 IonicContact OE2-NH1 3.24Å; E138-R149 PolarHBondContact OE2-NH1 3.29Å; D145-R149 VanDerWaalsContact O-CZ 3.24Å; D145-R149 PolarHBondContact O-NE 2.98Å; D145-R149 PolarHBondContact O-NH2 3.25Å; R149-S365 CarbonylContact O-C 3.59Å; R149-S365 WeakPolarHBondContact O-CA 3.08Å; R149-S365 WeakPolarHBondContact O-CB 3.26Å; R149-R366 PolarHBondContact N-O 2.82Å; R149-R366 PolarHBondContact O-N 2.72Å; R149-L368 HydrophobicContact CG-CD1 4.06Å
150	F	90.5	Very high	84.5	Confident	55 Å²	55	38 Å²	38	24%	0.241	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	146	168.7	-68.3	-52.1	0	0	0	111.2	N137 Y140 M141 F152 V363	N137-F150 PolarHBondContact OD1-O 3.43Å; Y140-F150 AromaticContact CD1-CD2 3.85Å; Y140-F150 HydrophobicContact CD1-CD2 3.85Å; Y140-F150 HydrophobicContact CD1-CE2 4.02Å; Y140-F150 HydrophobicContact CE1-CE2 4.45Å; M141-F150 HydrophobicContact CE-CE2 4.48Å; M141-F150 HydrophobicContact CG-CD2 3.22Å; M141-F150 HydrophobicContact CG-CE2 3.39Å; M141-F150 HydrophobicContact CG-CG 4.05Å; M141-F150 HydrophobicContact CG-CZ 4.32Å; M141-F150 HydrophobicContact SD-CB 4.46Å; M141-F150 HydrophobicContact SD-CD1 4.3Å; M141-F150 HydrophobicContact SD-CD2 3.61Å; M141-F150 HydrophobicContact SD-CE1 4.48Å; M141-F150 HydrophobicContact SD-CE2 3.85Å; M141-F150 HydrophobicContact SD-CG 3.86Å; M141-F150 HydrophobicContact SD-CZ 4.28Å; M141-F150 PolarHBondContact SD-N 3.32Å; M141-F150 VanDerWaalsContact SD-N 3.37Å; F150-F152 HydrophobicContact CB-CD2 4.16Å; F150-F152 HydrophobicContact CB-CE2 3.69Å; F150-F152 HydrophobicContact CB-CZ 3.95Å; F150-F152 HydrophobicContact CD2-CE2 4.21Å; F150-F152 HydrophobicContact CD2-CZ 4.01Å; F150-F152 HydrophobicContact CG-CE2 4.19Å; F150-F152 HydrophobicContact CG-CZ 4.01Å; F150-V363 HydrophobicContact CD1-CG1 3.75Å; F150-V363 HydrophobicContact CE1-CG1 3.63Å
151	N	93.4	Very high	84.8	Confident	59 Å²	59	35.7 Å²	35.7	32%	0.316	18%	0.18	S	C	.	.			trans	-131.2	76.5	174.4	180	27.8	0	0	0	108.1	R133 S364 R366	R133-N151 PolarHBondContact NH2-OD1 3.46Å; R133-N151 VanDerWaalsContact NH2-OD1 3.13Å; N151-S364 PolarHBondContact N-O 2.91Å; N151-R366 HydrophobicContact CB-CB 4.47Å
152	F	94.7	Very high	85.7	Confident	11 Å²	11	36.1 Å²	36.1	5%	0.048	18%	0.181	C	C	.	.			trans	-62	135.3	173.9	-61.4	-69.4	0	0	0	109.6	R133 L136 N137 Y140 F150 Y156 L157 F207	R133-F152 WeakPolarHBondContact CD-O 3.42Å; R133-F152 WeakPolarHBondContact CG-O 3.44Å; R133-F152 PolarHBondContact NE-O 2.87Å; L136-F152 HydrophobicContact CB-CD2 3.76Å; L136-F152 HydrophobicContact CB-CE2 3.98Å; L136-F152 HydrophobicContact CD1-CD2 4.45Å; N137-F152 VanDerWaalsContact OD1-CD2 3.22Å; N137-F152 WeakPolarHBondContact OD1-CD2 3.45Å; N137-F152 PolarHBondContact OD1-N 2.75Å; Y140-F152 AromaticContact CD1-CE2 3.85Å; Y140-F152 HydrophobicContact CD1-CE2 3.85Å; Y140-F152 AromaticContact CD1-CZ 3.75Å; Y140-F152 HydrophobicContact CD1-CZ 3.75Å; Y140-F152 HydrophobicContact CE1-CE2 4.47Å; Y140-F152 AromaticContact CE1-CZ 3.97Å; Y140-F152 HydrophobicContact CE1-CZ 3.97Å; Y140-F152 HydrophobicContact CG-CE2 4.39Å; F150-F152 HydrophobicContact CB-CD2 4.16Å; F150-F152 HydrophobicContact CB-CE2 3.69Å; F150-F152 HydrophobicContact CB-CZ 3.95Å; F150-F152 HydrophobicContact CD2-CE2 4.21Å; F150-F152 HydrophobicContact CD2-CZ 4.01Å; F150-F152 HydrophobicContact CG-CE2 4.19Å; F150-F152 HydrophobicContact CG-CZ 4.01Å; F152-Y156 AromaticContact CD1-CD1 3.74Å; F152-Y156 HydrophobicContact CD1-CD1 3.74Å; F152-Y156 AromaticContact CD1-CE1 3.86Å; F152-Y156 HydrophobicContact CD1-CE1 3.86Å; F152-Y156 HydrophobicContact CE1-CD1 4.36Å; F152-Y156 HydrophobicContact CE1-CE1 4Å; F152-L157 HydrophobicContact CB-CD1 4.27Å; F152-L157 HydrophobicContact CB-CD2 3.93Å; F152-L157 HydrophobicContact CB-CG 4Å; F152-L157 HydrophobicContact CD1-CD2 4.35Å; F152-L157 HydrophobicContact CG-CD2 4.1Å; F152-F207 HydrophobicContact CD1-CE1 4.47Å; F152-F207 AromaticContact CE1-CE1 3.9Å; F152-F207 HydrophobicContact CE1-CE1 3.9Å; F152-F207 HydrophobicContact CZ-CE1 4.03Å
153	S	94.6	Very high	87.3	Confident	30 Å²	30	30.4 Å²	30.4	21%	0.21	16%	0.155	C	C	.	.			trans	-89.7	156.9	170.8	88.3	0	0	0	0	110.3	E155 Y156 L157	S153-E155 WeakPolarHBondContact CB-OE2 3.35Å; S153-E155 PolarHBondContact O-N 2.76Å; S153-E155 PolarHBondContact OG-N 3.47Å; S153-E155 PolarHBondContact OG-OE2 3.42Å; S153-Y156 PolarHBondContact O-N 3.33Å; S153-Y156 PolarHBondContact OG-N 2.79Å; S153-Y156 VanDerWaalsContact OG-N 3.11Å; S153-L157 PolarHBondContact O-N 2.89Å; S153-L157 VanDerWaalsContact O-N 3.13Å
154	P	95.6	Very high	89	Confident	41 Å²	41	28.7 Å²	28.7	27%	0.266	15%	0.149	S	C	.	.	H	α-helix	trans	-51.6	-44.6	171.4	-26.7	36.4	0	0	0	112.5	L129 Y156 L157 L158	L129-P154 HydrophobicContact CD2-CB 3.7Å; L129-P154 HydrophobicContact CG-CB 4.33Å; P154-Y156 PolarHBondContact O-N 2.81Å; P154-L157 PolarHBondContact O-N 3.29Å; P154-L158 WeakPolarHBondContact O-CG 3.27Å; P154-L158 PolarHBondContact O-N 2.88Å
155	E	96.1	Very high	90.9	Very high	110 Å²	110	31.3 Å²	31.3	51%	0.514	16%	0.162	S	C	.	.	H	α-helix	trans	-65	-40.2	-176.9	-53.2	71.4	-150.7	0	0	111.4	S153 W159 V341	S153-E155 WeakPolarHBondContact CB-OE2 3.35Å; S153-E155 PolarHBondContact O-N 2.76Å; S153-E155 PolarHBondContact OG-N 3.47Å; S153-E155 PolarHBondContact OG-OE2 3.42Å; E155-W159 VanDerWaalsContact O-CB 3.27Å; E155-W159 WeakPolarHBondContact O-CB 3.47Å; E155-W159 PolarHBondContact O-N 2.71Å; E155-V341 HydrophobicContact CB-CG2 3.67Å
156	Y	96.6	Very high	92.6	Very high	7 Å²	7	34.1 Å²	34.1	3%	0.027	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-44.1	175.7	-175.1	-88.6	0	0	0	111.8	F152 S153 P154 W159 A160 F207 V341 Y361 T362 P456	F152-Y156 AromaticContact CD1-CD1 3.74Å; F152-Y156 HydrophobicContact CD1-CD1 3.74Å; F152-Y156 AromaticContact CD1-CE1 3.86Å; F152-Y156 HydrophobicContact CD1-CE1 3.86Å; F152-Y156 HydrophobicContact CE1-CD1 4.36Å; F152-Y156 HydrophobicContact CE1-CE1 4Å; S153-Y156 PolarHBondContact O-N 3.33Å; S153-Y156 PolarHBondContact OG-N 2.79Å; S153-Y156 VanDerWaalsContact OG-N 3.11Å; P154-Y156 PolarHBondContact O-N 2.81Å; Y156-W159 HydrophobicContact CD2-CE3 4.15Å; Y156-W159 HydrophobicContact CD2-CZ3 4.39Å; Y156-W159 AromaticContact CE2-CE3 3.98Å; Y156-W159 HydrophobicContact CE2-CE3 3.98Å; Y156-W159 AromaticContact CE2-CZ3 3.8Å; Y156-W159 HydrophobicContact CE2-CZ3 3.8Å; Y156-W159 PolarHBondContact O-N 3.46Å; Y156-A160 HydrophobicContact CE1-CB 4.44Å; Y156-A160 WeakPolarHBondContact O-CB 3.47Å; Y156-A160 PolarHBondContact O-N 3.47Å; Y156-F207 HydrophobicContact CE1-CZ 4.11Å; Y156-V341 HydrophobicContact CD2-CG1 4.35Å; Y156-Y361 AromaticContact CE2-CD2 3.82Å; Y156-Y361 HydrophobicContact CE2-CD2 3.82Å; Y156-Y361 WeakPolarHBondContact OH-CD2 3.5Å; Y156-Y361 WeakPolarHBondContact OH-CE2 3.23Å; Y156-T362 WeakPolarHBondContact CE2-O 3.31Å; Y156-P456 WeakPolarHBondContact OH-CB 3.15Å
157	L	97.1	Very high	94.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.8	-42.8	179.2	-68.3	178.4	0	0	0	111.4	L129 R133 L136 F152 S153 P154 A160 L161 F207	L129-L157 HydrophobicContact CD1-CB 3.98Å; L129-L157 HydrophobicContact CD1-CD1 4.06Å; R133-L157 HydrophobicContact CB-CD1 3.82Å; R133-L157 HydrophobicContact CG-CD1 4.31Å; L136-L157 HydrophobicContact CD1-CD1 4.33Å; L136-L157 HydrophobicContact CD1-CD2 3.61Å; F152-L157 HydrophobicContact CB-CD1 4.27Å; F152-L157 HydrophobicContact CB-CD2 3.93Å; F152-L157 HydrophobicContact CB-CG 4Å; F152-L157 HydrophobicContact CD1-CD2 4.35Å; F152-L157 HydrophobicContact CG-CD2 4.1Å; S153-L157 PolarHBondContact O-N 2.89Å; S153-L157 VanDerWaalsContact O-N 3.13Å; P154-L157 PolarHBondContact O-N 3.29Å; L157-A160 PolarHBondContact O-N 2.86Å; L157-L161 WeakPolarHBondContact O-CB 3.44Å; L157-L161 WeakPolarHBondContact O-CG 3.35Å; L157-L161 PolarHBondContact O-N 2.8Å; L157-F207 HydrophobicContact CD2-CE1 4.37Å; L157-F207 HydrophobicContact CD2-CZ 4.31Å
158	L	97	Very high	95.2	Very high	51 Å²	51	37.5 Å²	37.5	27%	0.267	19%	0.187	S	C	.	.	H	α-helix	trans	-63.7	-42.6	174.9	-64.9	173.2	0	0	0	111.3	L123 L129 P154 A160 L161 Q162	L123-L158 HydrophobicContact CB-CD2 3.86Å; L129-L158 HydrophobicContact CD1-CD2 4.42Å; L129-L158 HydrophobicContact CD2-CD1 3.94Å; L129-L158 HydrophobicContact CD2-CD2 4.01Å; L129-L158 HydrophobicContact CD2-CG 3.9Å; P154-L158 WeakPolarHBondContact O-CG 3.27Å; P154-L158 PolarHBondContact O-N 2.88Å; L158-A160 VanDerWaalsContact C-N 3.33Å; L158-A160 PolarHBondContact O-N 2.95Å; L158-L161 PolarHBondContact O-N 3.17Å; L158-Q162 WeakPolarHBondContact O-CA 3.35Å; L158-Q162 WeakPolarHBondContact O-CB 3.47Å; L158-Q162 PolarHBondContact O-N 3.19Å
159	W	97.4	Very high	95.8	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.015	20%	0.198	C	C	.	.	H	α-helix	trans	-59.4	-42.2	174.8	177.4	72.2	0	0	0	112.5	E155 Y156 H333 W334 V341 N342 Y361 P456	E155-W159 VanDerWaalsContact O-CB 3.27Å; E155-W159 WeakPolarHBondContact O-CB 3.47Å; E155-W159 PolarHBondContact O-N 2.71Å; Y156-W159 HydrophobicContact CD2-CE3 4.15Å; Y156-W159 HydrophobicContact CD2-CZ3 4.39Å; Y156-W159 AromaticContact CE2-CE3 3.98Å; Y156-W159 HydrophobicContact CE2-CE3 3.98Å; Y156-W159 AromaticContact CE2-CZ3 3.8Å; Y156-W159 HydrophobicContact CE2-CZ3 3.8Å; Y156-W159 PolarHBondContact O-N 3.46Å; W159-H333 AromaticContact CD1-NE2 3.83Å; W159-H333 VanDerWaalsContact CD1-O 3.3Å; W159-H333 PolarHBondContact NE1-O 3.36Å; W159-H333 PolarHBondContact O-CE1 3.3Å; W159-H333 PolarHBondContact O-NE2 3.12Å; W159-W334 HydrophobicContact CD2-CE3 4.19Å; W159-W334 HydrophobicContact CD2-CZ3 4.04Å; W159-W334 AromaticContact CE2-CE3 3.52Å; W159-W334 AromaticContact CE2-CZ3 3.86Å; W159-W334 HydrophobicContact CE3-CZ3 4.34Å; W159-W334 HydrophobicContact CH2-CE3 4.16Å; W159-W334 HydrophobicContact CH2-CZ3 4.34Å; W159-W334 AromaticContact CZ2-CE3 3.53Å; W159-W334 HydrophobicContact CZ2-CE3 3.53Å; W159-W334 HydrophobicContact CZ2-CZ3 4.05Å; W159-W334 HydrophobicContact CZ3-CZ3 4.48Å; W159-W334 AromaticContact NE1-CE3 3.71Å; W159-W334 VanDerWaalsContact O-CZ3 3.31Å; W159-W334 WeakPolarHBondContact O-CZ3 3.28Å; W159-V341 HydrophobicContact CB-CG1 3.73Å; W159-V341 HydrophobicContact CD2-CG1 3.48Å; W159-V341 VanDerWaalsContact CD2-CG1 3.48Å; W159-V341 HydrophobicContact CE3-CG1 3.77Å; W159-V341 HydrophobicContact CG-CG1 3.49Å; W159-V341 VanDerWaalsContact CG-CG1 3.49Å; W159-N342 HydrophobicContact CZ2-CB 4.18Å; W159-Y361 HydrophobicContact CH2-CG 4.23Å; W159-Y361 HydrophobicContact CZ3-CG 4.37Å; W159-P456 HydrophobicContact CH2-CB 4Å; W159-P456 HydrophobicContact CH2-CG 3.74Å; W159-P456 HydrophobicContact CZ3-CB 3.63Å; W159-P456 HydrophobicContact CZ3-CG 3.88Å
160	A	96.8	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-79.8	-29.1	-178.5	0	0	0	0	0	114.1	Y156 L157 L158 F207	Y156-A160 HydrophobicContact CE1-CB 4.44Å; Y156-A160 WeakPolarHBondContact O-CB 3.47Å; Y156-A160 PolarHBondContact O-N 3.47Å; L157-A160 PolarHBondContact O-N 2.86Å; L158-A160 VanDerWaalsContact C-N 3.33Å; L158-A160 PolarHBondContact O-N 2.95Å; A160-F207 HydrophobicContact CB-CE2 3.66Å; A160-F207 HydrophobicContact CB-CZ 3.87Å
161	L	97.3	Very high	96.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-106.1	-14.2	-172.1	-68.4	170.6	0	0	0	114.7	L123 L132 L157 L158 F185 A187 R206 F207	L123-L161 HydrophobicContact CD1-CB 3.74Å; L123-L161 HydrophobicContact CD1-CD1 3.63Å; L123-L161 HydrophobicContact CD1-CG 4.32Å; L132-L161 HydrophobicContact CD2-CD1 3.8Å; L157-L161 WeakPolarHBondContact O-CB 3.44Å; L157-L161 WeakPolarHBondContact O-CG 3.35Å; L157-L161 PolarHBondContact O-N 2.8Å; L158-L161 PolarHBondContact O-N 3.17Å; L161-F185 HydrophobicContact CD1-CE1 4.15Å; L161-F185 HydrophobicContact CD1-CZ 4.07Å; L161-F185 HydrophobicContact CD2-CE1 4.44Å; L161-F185 HydrophobicContact CD2-CZ 4.46Å; L161-A187 HydrophobicContact CD2-CB 3.37Å; L161-R206 HydrophobicContact CD2-CB 4.03Å; L161-F207 HydrophobicContact CD1-CD2 4.24Å; L161-F207 HydrophobicContact CD1-CE2 4.5Å; L161-F207 HydrophobicContact CD2-CD2 3.67Å; L161-F207 HydrophobicContact CD2-CE2 4.08Å; L161-F207 HydrophobicContact CG-CD2 4Å; L161-F207 HydrophobicContact CG-CE2 4.04Å
162	Q	96.4	Very high	96.9	Very high	41 Å²	41	32.6 Å²	32.6	19%	0.192	17%	0.165	C	C	.	.			trans	-123.3	53.2	179.6	-61.3	-172.8	-33.4	0	0	113.3	L158 W166 H333	L158-Q162 WeakPolarHBondContact O-CA 3.35Å; L158-Q162 WeakPolarHBondContact O-CB 3.47Å; L158-Q162 PolarHBondContact O-N 3.19Å; Q162-W166 HydrophobicContact CB-CD2 4.08Å; Q162-W166 HydrophobicContact CB-CG 3.94Å; Q162-W166 HydrophobicContact CG-CD2 3.81Å; Q162-W166 HydrophobicContact CG-CE3 4.17Å; Q162-W166 HydrophobicContact CG-CG 4.18Å; Q162-W166 HydrophobicContact CG-CH2 4.48Å; Q162-W166 HydrophobicContact CG-CZ2 4.13Å; Q162-W166 HydrophobicContact CG-CZ3 4.47Å; Q162-W166 VanDerWaalsContact NE2-CH2 3.26Å; Q162-H333 PolarHBondContact O-CE1 2.86Å; Q162-H333 VanDerWaalsContact O-CE1 3.29Å
163	P	96.9	Very high	97	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.013	16%	0.163	C	C	.	.			trans	-68.2	167.7	169	33	-36.3	0	0	0	111.6	N165 W166 V189 H333 W334	P163-N165 PolarHBondContact O-N 3.36Å; P163-W166 VanDerWaalsContact O-CB 3.27Å; P163-W166 WeakPolarHBondContact O-CB 3.47Å; P163-W166 PolarHBondContact O-N 3Å; P163-V189 HydrophobicContact CG-CB 3.66Å; P163-V189 HydrophobicContact CG-CG1 3.91Å; P163-V189 HydrophobicContact CG-CG2 4.18Å; P163-H333 WeakPolarHBondContact CA-NE2 3.32Å; P163-W334 HydrophobicContact CB-CH2 4.09Å; P163-W334 HydrophobicContact CB-CZ2 3.49Å; P163-W334 VanDerWaalsContact CB-CZ2 3.49Å; P163-W334 HydrophobicContact CG-CH2 4.42Å; P163-W334 HydrophobicContact CG-CZ2 4.01Å
164	P	97.6	Very high	97.1	Very high	20 Å²	20	30.7 Å²	30.7	13%	0.13	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	135.3	177	-29	35.7	0	0	0	112.7	W166 P190 Q329 E330 H333	P164-W166 VanDerWaalsContact C-N 3.27Å; P164-W166 PolarHBondContact O-N 3.34Å; P164-P190 WeakPolarHBondContact O-CG 3.41Å; P164-Q329 HydrophobicContact CB-CB 4.14Å; P164-Q329 HydrophobicContact CG-CB 3.83Å; P164-E330 HydrophobicContact CB-CG 4.29Å; P164-E330 HydrophobicContact CG-CG 4Å; P164-H333 HydrophobicContact CG-CB 4.15Å
165	N	96.6	Very high	97.2	Very high	104 Å²	104	29.9 Å²	29.9	56%	0.556	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.2	16.7	-177.5	-45	-64.5	0	0	0	115.8	P163 P190	P163-N165 PolarHBondContact O-N 3.36Å; N165-P190 HydrophobicContact CB-CG 4.2Å; N165-P190 WeakPolarHBondContact O-CG 3.3Å
166	W	96.9	Very high	97.1	Very high	80 Å²	80	26.1 Å²	26.1	30%	0.303	13%	0.129	S	C	.	.			trans	-56.1	151.4	170.7	72.7	-85.4	0	0	0	111.8	Q162 P163 P164 L168	Q162-W166 HydrophobicContact CB-CD2 4.08Å; Q162-W166 HydrophobicContact CB-CG 3.94Å; Q162-W166 HydrophobicContact CG-CD2 3.81Å; Q162-W166 HydrophobicContact CG-CE3 4.17Å; Q162-W166 HydrophobicContact CG-CG 4.18Å; Q162-W166 HydrophobicContact CG-CH2 4.48Å; Q162-W166 HydrophobicContact CG-CZ2 4.13Å; Q162-W166 HydrophobicContact CG-CZ3 4.47Å; Q162-W166 VanDerWaalsContact NE2-CH2 3.26Å; P163-W166 VanDerWaalsContact O-CB 3.27Å; P163-W166 WeakPolarHBondContact O-CB 3.47Å; P163-W166 PolarHBondContact O-N 3Å; P164-W166 VanDerWaalsContact C-N 3.27Å; P164-W166 PolarHBondContact O-N 3.34Å; W166-L168 HydrophobicContact CH2-CB 4.46Å; W166-L168 HydrophobicContact CZ3-CB 3.92Å; W166-L168 HydrophobicContact CZ3-CD1 4.21Å
167	L	97.9	Very high	96.8	Very high	51 Å²	51	28.9 Å²	28.9	27%	0.267	14%	0.144	S	C	.	.			trans	-122.9	126.8	-177	-65.9	-177	0	0	0	110.8	Q169 W170 Q234	L167-Q169 VanDerWaalsContact C-N 3.29Å; L167-Q169 HydrophobicContact CB-CG 4.49Å; L167-Q169 PolarHBondContact O-N 3.05Å; L167-W170 HydrophobicContact CB-CD2 3.89Å; L167-W170 HydrophobicContact CB-CE3 3.97Å; L167-W170 HydrophobicContact CB-CG 4.2Å; L167-W170 HydrophobicContact CB-CZ3 4.44Å; L167-W170 HydrophobicContact CD1-CD2 4.2Å; L167-W170 HydrophobicContact CD1-CE3 4.33Å; L167-W170 HydrophobicContact CD1-CH2 3.74Å; L167-W170 HydrophobicContact CD1-CZ2 3.59Å; L167-W170 HydrophobicContact CD1-CZ3 4.1Å; L167-W170 HydrophobicContact CG-CD2 4.47Å; L167-W170 HydrophobicContact CG-CE3 4.33Å; L167-W170 HydrophobicContact CG-CH2 4.41Å; L167-W170 HydrophobicContact CG-CZ3 4.3Å; L167-W170 WeakPolarHBondContact O-CB 3.18Å; L167-W170 PolarHBondContact O-N 2.8Å; L167-Q234 HydrophobicContact CD1-CG 4.1Å
168	L	97.3	Very high	96.6	Very high	68 Å²	68	33.6 Å²	33.6	36%	0.356	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-55.3	-42.7	-178.2	176.2	61.5	0	0	0	112.8	T120 L121 D122 W166 W170 N171	T120-L168 HydrophobicContact CG2-CD1 4.1Å; T120-L168 HydrophobicContact CG2-CG 3.76Å; T120-L168 WeakPolarHBondContact CG2-O 3.05Å; L121-L168 VanDerWaalsContact O-CD1 3.31Å; L121-L168 WeakPolarHBondContact O-CD1 3.43Å; D122-L168 HydrophobicContact CB-CD1 3.97Å; W166-L168 HydrophobicContact CH2-CB 4.46Å; W166-L168 HydrophobicContact CZ3-CB 3.92Å; W166-L168 HydrophobicContact CZ3-CD1 4.21Å; L168-W170 PolarHBondContact O-N 3.41Å; L168-N171 PolarHBondContact O-N 2.94Å
169	Q	96.8	Very high	96.4	Very high	60 Å²	60	36.1 Å²	36.1	28%	0.28	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-60.8	-17.5	180	66	-88	30.6	0	0	113.9	L167 R230	L167-Q169 VanDerWaalsContact C-N 3.29Å; L167-Q169 HydrophobicContact CB-CG 4.49Å; L167-Q169 PolarHBondContact O-N 3.05Å; Q169-R230 WeakPolarHBondContact O-CD 3.45Å; Q169-R230 PolarHBondContact O-NH1 3.49Å
170	W	98.2	Very high	96.3	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.015	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-85	-9.9	177.6	-66.2	-12.9	0	0	0	113.6	L167 L168 L172 A187 A188 P190 V203 L227 R230 V231 Q234 I236	L167-W170 HydrophobicContact CB-CD2 3.89Å; L167-W170 HydrophobicContact CB-CE3 3.97Å; L167-W170 HydrophobicContact CB-CG 4.2Å; L167-W170 HydrophobicContact CB-CZ3 4.44Å; L167-W170 HydrophobicContact CD1-CD2 4.2Å; L167-W170 HydrophobicContact CD1-CE3 4.33Å; L167-W170 HydrophobicContact CD1-CH2 3.74Å; L167-W170 HydrophobicContact CD1-CZ2 3.59Å; L167-W170 HydrophobicContact CD1-CZ3 4.1Å; L167-W170 HydrophobicContact CG-CD2 4.47Å; L167-W170 HydrophobicContact CG-CE3 4.33Å; L167-W170 HydrophobicContact CG-CH2 4.41Å; L167-W170 HydrophobicContact CG-CZ3 4.3Å; L167-W170 WeakPolarHBondContact O-CB 3.18Å; L167-W170 PolarHBondContact O-N 2.8Å; L168-W170 PolarHBondContact O-N 3.41Å; W170-L172 PolarHBondContact O-N 2.71Å; W170-A187 VanDerWaalsContact O-CA 3.26Å; W170-A187 WeakPolarHBondContact O-CA 3.46Å; W170-A188 HydrophobicContact CB-CB 4.04Å; W170-A188 WeakPolarHBondContact CB-O 3.35Å; W170-A188 HydrophobicContact CD2-CB 4.21Å; W170-A188 HydrophobicContact CE3-CB 4.21Å; W170-A188 HydrophobicContact CG-CB 4.18Å; W170-A188 PolarHBondContact O-N 3.04Å; W170-P190 HydrophobicContact CZ3-CB 4.17Å; W170-V203 HydrophobicContact CE3-CG1 4.22Å; W170-V203 HydrophobicContact CH2-CG1 3.47Å; W170-V203 VanDerWaalsContact CH2-CG1 3.47Å; W170-V203 HydrophobicContact CZ2-CG1 3.9Å; W170-V203 HydrophobicContact CZ3-CG1 3.64Å; W170-L227 HydrophobicContact CB-CD1 4.46Å; W170-R230 PolarHBondContact NE1-O 3.2Å; W170-V231 HydrophobicContact CD2-CG2 4.38Å; W170-V231 HydrophobicContact CG-CG2 4.42Å; W170-V231 HydrophobicContact CZ2-CG2 4.4Å; W170-Q234 HydrophobicContact CZ2-CB 4.15Å; W170-Q234 HydrophobicContact CZ2-CG 4.01Å; W170-I236 HydrophobicContact CH2-CD1 3.73Å; W170-I236 HydrophobicContact CZ2-CD1 4.05Å
171	N	98.2	Very high	96.3	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.239	C	C	.	.	S	Bend	trans	-86.9	85.2	172.3	-66.4	-25.1	0	0	0	110.2	T120 L121 L168 F185	T120-N171 WeakPolarHBondContact CA-O 3.45Å; L121-N171 HydrophobicContact CB-CB 4.26Å; L121-N171 PolarHBondContact N-O 3.38Å; L121-N171 WeakPolarHBondContact O-CB 3.35Å; L168-N171 PolarHBondContact O-N 2.94Å; N171-F185 HydrophobicContact CB-CE2 4.23Å
172	L	98.1	Very high	96.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.7	-170.7	-176.9	68.1	0	0	0	111.7	W118 W170 F185 I186 L223 E226 R230	W118-L172 HydrophobicContact CD2-CD1 4.14Å; W118-L172 HydrophobicContact CE3-CD1 3.46Å; W118-L172 VanDerWaalsContact CE3-CD1 3.46Å; W118-L172 HydrophobicContact CE3-CD2 4.03Å; W118-L172 HydrophobicContact CE3-CG 3.79Å; W118-L172 HydrophobicContact CH2-CD2 4.1Å; W118-L172 HydrophobicContact CZ3-CD1 3.89Å; W118-L172 HydrophobicContact CZ3-CD2 3.55Å; W118-L172 HydrophobicContact CZ3-CG 3.72Å; W170-L172 PolarHBondContact O-N 2.71Å; L172-F185 CarbonylContact O-C 3.51Å; L172-F185 VanDerWaalsContact O-CA 3.27Å; L172-F185 WeakPolarHBondContact O-CA 3.12Å; L172-F185 VanDerWaalsContact O-CD2 3.27Å; L172-F185 WeakPolarHBondContact O-CD2 3.4Å; L172-I186 HydrophobicContact CB-CG2 3.9Å; L172-I186 WeakPolarHBondContact CB-O 3.33Å; L172-I186 HydrophobicContact CD2-CG2 3.81Å; L172-I186 HydrophobicContact CG-CG2 4.3Å; L172-I186 PolarHBondContact N-O 3.49Å; L172-I186 PolarHBondContact O-N 2.77Å; L172-L223 HydrophobicContact CD2-CD2 4.15Å; L172-L223 HydrophobicContact CG-CD2 4.38Å; L172-E226 HydrophobicContact CD1-CG 3.91Å; L172-E226 HydrophobicContact CD2-CB 3.74Å; L172-E226 HydrophobicContact CD2-CG 3.54Å; L172-E226 HydrophobicContact CG-CG 4.4Å; L172-R230 VanDerWaalsContact CD1-NH2 3.28Å
173	G	98	Very high	96.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	154.5	172.8	0	0	0	0	0	113	D119 G184	D119-G173 PolarHBondContact N-O 3.38Å; D119-G173 PolarHBondContact O-N 2.8Å; G173-G184 CarbonylContact C-O 3.56Å; G173-G184 WeakPolarHBondContact CA-O 3.32Å
174	V	96.9	Very high	96.3	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.9	166.6	177.2	0	0	0	0	108.6	L112 F116 W118 V183 G184 L223	L112-V174 HydrophobicContact CD1-CG1 4.31Å; L112-V174 HydrophobicContact CD2-CG2 4.42Å; F116-V174 HydrophobicContact CB-CG1 4.09Å; F116-V174 HydrophobicContact CD1-CG1 4Å; F116-V174 HydrophobicContact CG-CG1 4.41Å; W118-V174 HydrophobicContact CE3-CG2 3.64Å; W118-V174 HydrophobicContact CH2-CG2 4.16Å; W118-V174 HydrophobicContact CZ3-CG2 3.31Å; V174-V183 HydrophobicContact CB-CG2 4.46Å; V174-V183 HydrophobicContact CG1-CG2 4.07Å; V174-V183 WeakPolarHBondContact O-CG2 3.33Å; V174-V183 PolarHBondContact O-N 3.38Å; V174-G184 PolarHBondContact N-O 3.44Å; V174-G184 PolarHBondContact O-N 3.27Å; V174-L223 HydrophobicContact CG2-CD2 3.85Å; V174-L223 HydrophobicContact CG2-CG 4.44Å
175	R	96.3	Very high	96.3	Very high	23 Å²	23	43.3 Å²	43.3	9%	0.087	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	151.7	177.1	-67.8	-173.4	-178.8	-87.4	0.3	111.7	F116 S117 D119 E131 K180 K181 L182	F116-R175 CarbonylContact C-O 3.35Å; F116-R175 WeakPolarHBondContact CA-O 3.46Å; S117-R175 PolarHBondContact N-O 3.16Å; S117-R175 PolarHBondContact O-N 3.16Å; D119-R175 HydrophobicContact CB-CG 4.15Å; D119-R175 IonicContact OD2-CZ 3.48Å; D119-R175 IonicContact OD2-NE 3.77Å; D119-R175 PolarHBondContact OD2-NE 2.86Å; D119-R175 IonicContact OD2-NH2 2.71Å; D119-R175 PolarHBondContact OD2-NH2 3.07Å; D119-R175 VanDerWaalsContact OD2-NH2 3.15Å; E131-R175 VanDerWaalsContact CD-NH1 3.27Å; E131-R175 IonicContact OE1-CZ 2.84Å; E131-R175 IonicContact OE1-NH1 3.91Å; E131-R175 PolarHBondContact OE1-NH1 2.75Å; E131-R175 IonicContact OE1-NH2 3.53Å; E131-R175 IonicContact OE2-CZ 2.73Å; E131-R175 IonicContact OE2-NH1 2.94Å; E131-R175 PolarHBondContact OE2-NH1 3.3Å; E131-R175 VanDerWaalsContact OE2-NH1 3.08Å; E131-R175 IonicContact OE2-NH2 3.73Å; E131-R175 PolarHBondContact OE2-NH2 3.24Å; R175-K180 WeakPolarHBondContact CD-O 3.24Å; R175-K180 PolarHBondContact NH1-O 2.98Å; R175-K181 VanDerWaalsContact CA-O 3.3Å; R175-K181 WeakPolarHBondContact CA-O 3.21Å; R175-L182 HydrophobicContact CG-CD1 4.29Å
176	V	94	Very high	96.4	Very high	32 Å²	32	38.5 Å²	38.5	19%	0.194	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	129.5	167.6	178.2	0	0	0	0	108.8	G115 F116 A178 N179 K180 K181 V183	G115-V176 WeakPolarHBondContact O-CA 3.29Å; F116-V176 HydrophobicContact CD1-CG2 4.1Å; F116-V176 HydrophobicContact CE1-CG2 3.79Å; V176-A178 VanDerWaalsContact C-N 3.33Å; V176-A178 HydrophobicContact CG1-CB 4.38Å; V176-A178 PolarHBondContact O-N 3.25Å; V176-N179 WeakPolarHBondContact CB-OD1 3.38Å; V176-K180 WeakPolarHBondContact O-CA 3.3Å; V176-K180 PolarHBondContact O-N 2.91Å; V176-K181 PolarHBondContact N-O 3.38Å; V176-V183 HydrophobicContact CG2-CG1 3.77Å; V176-V183 HydrophobicContact CG2-CG2 3.99Å
177	D	90.8	Very high	96.5	Very high	64 Å²	64	34.7 Å²	34.7	34%	0.342	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-41.7	-174.7	-74.6	-34.9	0	0	0	113	G115 F116 S117 N179 K180	G115-D177 WeakPolarHBondContact CA-OD2 3.41Å; G115-D177 PolarHBondContact O-N 3.16Å; F116-D177 PolarHBondContact N-OD2 3.07Å; S117-D177 WeakPolarHBondContact CB-OD1 3.36Å; D177-N179 PolarHBondContact O-N 2.67Å; D177-K180 VanDerWaalsContact O-CE 3.27Å; D177-K180 WeakPolarHBondContact O-CE 3.15Å; D177-K180 PolarHBondContact O-NZ 3.23Å; D177-K180 VanDerWaalsContact O-NZ 3.17Å
178	A	93.9	Very high	96.5	Very high	100 Å²	100	32.3 Å²	32.3	83%	0.826	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-34.9	-171.8	0	0	0	0	0	113.9	V176	V176-A178 VanDerWaalsContact C-N 3.33Å; V176-A178 HydrophobicContact CG1-CB 4.38Å; V176-A178 PolarHBondContact O-N 3.25Å
179	N	92.5	Very high	96.6	Very high	103 Å²	103	29 Å²	29	55%	0.551	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130.4	2.4	-174.1	67.9	10.8	0	0	0	114	V176 D177 K181	V176-N179 WeakPolarHBondContact CB-OD1 3.38Å; D177-N179 PolarHBondContact O-N 2.67Å; N179-K181 PolarHBondContact O-N 3.02Å; N179-K181 WeakPolarHBondContact OD1-CB 3.42Å; N179-K181 PolarHBondContact OD1-N 3.25Å
180	K	94.9	Very high	96.6	Very high	121 Å²	121	26.7 Å²	26.7	53%	0.526	15%	0.147	S	C	.	.			trans	59.5	12.4	-179.2	-51.1	-58.2	176.2	-170.5	0	115.1	R175 V176 D177 L182	R175-K180 WeakPolarHBondContact CD-O 3.24Å; R175-K180 PolarHBondContact NH1-O 2.98Å; V176-K180 WeakPolarHBondContact O-CA 3.3Å; V176-K180 PolarHBondContact O-N 2.91Å; D177-K180 VanDerWaalsContact O-CE 3.27Å; D177-K180 WeakPolarHBondContact O-CE 3.15Å; D177-K180 PolarHBondContact O-NZ 3.23Å; D177-K180 VanDerWaalsContact O-NZ 3.17Å; K180-L182 PolarHBondContact O-N 2.74Å
181	K	96.5	Very high	96.5	Very high	85 Å²	85	26.6 Å²	26.6	37%	0.37	15%	0.147	S	C	.	.			trans	-62.7	129.6	179	-174.7	176.9	-176.2	-178.5	0	110.7	R175 V176 N179 V183 H211	R175-K181 VanDerWaalsContact CA-O 3.3Å; R175-K181 WeakPolarHBondContact CA-O 3.21Å; V176-K181 PolarHBondContact N-O 3.38Å; N179-K181 PolarHBondContact O-N 3.02Å; N179-K181 WeakPolarHBondContact OD1-CB 3.42Å; N179-K181 PolarHBondContact OD1-N 3.25Å; K181-V183 HydrophobicContact CB-CG1 4.49Å; K181-V183 HydrophobicContact CD-CG1 4.36Å; K181-V183 HydrophobicContact CG-CG1 4.13Å; K181-H211 PolarHBondContact NZ-NE2 3.27Å; K181-H211 VanDerWaalsContact NZ-NE2 3.13Å
182	L	98.1	Very high	96.5	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.037	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	124.7	170.6	-173.4	70.5	0	0	0	110.2	L121 E131 L132 L135 R175 K180	L121-L182 HydrophobicContact CD1-CD1 4.08Å; L121-L182 HydrophobicContact CD1-CD2 3.83Å; L121-L182 HydrophobicContact CD2-CD1 4.16Å; E131-L182 HydrophobicContact CB-CD2 4.42Å; L132-L182 HydrophobicContact CB-CD2 4.34Å; L132-L182 HydrophobicContact CD1-CD2 4.48Å; L135-L182 HydrophobicContact CB-CD2 4.23Å; L135-L182 HydrophobicContact CD2-CD2 4Å; L135-L182 HydrophobicContact CD2-CG 4.03Å; R175-L182 HydrophobicContact CG-CD1 4.29Å; K180-L182 PolarHBondContact O-N 2.74Å
183	V	96.4	Very high	96.5	Very high	6 Å²	6	28.3 Å²	28.3	4%	0.036	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	-6.4	-173	-66.3	0	0	0	0	114.6	F116 V174 V176 K181 H211 L214	F116-V183 HydrophobicContact CD1-CG2 4.12Å; F116-V183 HydrophobicContact CE1-CG2 4.04Å; V174-V183 HydrophobicContact CB-CG2 4.46Å; V174-V183 HydrophobicContact CG1-CG2 4.07Å; V174-V183 WeakPolarHBondContact O-CG2 3.33Å; V174-V183 PolarHBondContact O-N 3.38Å; V176-V183 HydrophobicContact CG2-CG1 3.77Å; V176-V183 HydrophobicContact CG2-CG2 3.99Å; K181-V183 HydrophobicContact CB-CG1 4.49Å; K181-V183 HydrophobicContact CD-CG1 4.36Å; K181-V183 HydrophobicContact CG-CG1 4.13Å; V183-H211 HydrophobicContact CB-CB 4.02Å; V183-H211 HydrophobicContact CG1-CB 4.41Å; V183-H211 VanDerWaalsContact O-CB 3.24Å; V183-H211 WeakPolarHBondContact O-CB 3.49Å; V183-H211 PolarHBondContact O-N 2.99Å; V183-L214 HydrophobicContact CB-CD1 3.66Å; V183-L214 HydrophobicContact CG1-CD1 4.22Å; V183-L214 HydrophobicContact CG2-CD1 3.72Å
184	G	96.6	Very high	96.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	147.6	173.1	0	0	0	0	0	110.3	G173 V174 C209	G173-G184 CarbonylContact C-O 3.56Å; G173-G184 WeakPolarHBondContact CA-O 3.32Å; V174-G184 PolarHBondContact N-O 3.44Å; V174-G184 PolarHBondContact O-N 3.27Å; G184-C209 CarbonylContact C-O 3.54Å; G184-C209 WeakPolarHBondContact CA-O 3.48Å
185	F	98.6	Very high	96.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	144.7	176.5	-176.8	-109.7	0	0	0	110.8	L121 L132 L135 L161 N171 L172 A187 F207 L208 C209	L121-F185 HydrophobicContact CD1-CD2 3.55Å; L121-F185 HydrophobicContact CD1-CE2 3.65Å; L121-F185 HydrophobicContact CG-CD2 4.33Å; L121-F185 HydrophobicContact CG-CE2 4.23Å; L132-F185 HydrophobicContact CD1-CB 3.93Å; L132-F185 HydrophobicContact CD1-CD1 3.4Å; L132-F185 HydrophobicContact CD1-CD2 3.74Å; L132-F185 HydrophobicContact CD1-CE1 3.7Å; L132-F185 HydrophobicContact CD1-CE2 4.04Å; L132-F185 HydrophobicContact CD1-CG 3.4Å; L132-F185 HydrophobicContact CD1-CZ 4Å; L132-F185 HydrophobicContact CD2-CD1 4.46Å; L132-F185 HydrophobicContact CD2-CE1 3.9Å; L132-F185 HydrophobicContact CD2-CE2 4.06Å; L132-F185 HydrophobicContact CD2-CZ 3.66Å; L132-F185 HydrophobicContact CG-CE1 4.45Å; L135-F185 HydrophobicContact CD2-CB 3.74Å; L161-F185 HydrophobicContact CD1-CE1 4.15Å; L161-F185 HydrophobicContact CD1-CZ 4.07Å; L161-F185 HydrophobicContact CD2-CE1 4.44Å; L161-F185 HydrophobicContact CD2-CZ 4.46Å; N171-F185 HydrophobicContact CB-CE2 4.23Å; L172-F185 CarbonylContact O-C 3.51Å; L172-F185 VanDerWaalsContact O-CA 3.27Å; L172-F185 WeakPolarHBondContact O-CA 3.12Å; L172-F185 VanDerWaalsContact O-CD2 3.27Å; L172-F185 WeakPolarHBondContact O-CD2 3.4Å; F185-A187 HydrophobicContact CE1-CB 3.88Å; F185-A187 HydrophobicContact CZ-CB 3.72Å; F185-F207 HydrophobicContact CD1-CB 4.03Å; F185-F207 WeakPolarHBondContact CD1-O 3.34Å; F185-F207 HydrophobicContact CE1-CB 3.95Å; F185-L208 WeakPolarHBondContact O-CA 3.48Å; F185-C209 PolarHBondContact N-O 2.87Å; F185-C209 PolarHBondContact O-N 3.11Å
186	I	98.5	Very high	96.6	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	143.6	164.3	-165.4	-179.1	0	0	0	107.6	L172 V205 L208 L223 I224 L227	L172-I186 HydrophobicContact CB-CG2 3.9Å; L172-I186 WeakPolarHBondContact CB-O 3.33Å; L172-I186 HydrophobicContact CD2-CG2 3.81Å; L172-I186 HydrophobicContact CG-CG2 4.3Å; L172-I186 PolarHBondContact N-O 3.49Å; L172-I186 PolarHBondContact O-N 2.77Å; I186-V205 HydrophobicContact CD1-CG1 3.84Å; I186-V205 HydrophobicContact CG1-CG1 3.92Å; I186-L208 HydrophobicContact CB-CD1 4.16Å; I186-L208 HydrophobicContact CD1-CB 4.39Å; I186-L208 HydrophobicContact CD1-CD1 4.09Å; I186-L208 HydrophobicContact CG1-CB 4.08Å; I186-L208 HydrophobicContact CG1-CD1 4.17Å; I186-L223 HydrophobicContact CB-CB 4.47Å; I186-L223 HydrophobicContact CB-CD2 4.39Å; I186-L223 HydrophobicContact CG2-CB 4.02Å; I186-L223 HydrophobicContact CG2-CD2 3.82Å; I186-I224 HydrophobicContact CD1-CG1 4.06Å; I186-L227 HydrophobicContact CD1-CB 4.38Å; I186-L227 HydrophobicContact CD1-CD2 3.56Å; I186-L227 HydrophobicContact CG1-CD2 3.74Å; I186-L227 HydrophobicContact CG2-CB 4.06Å; I186-L227 HydrophobicContact CG2-CD2 4.16Å
187	A	98.4	Very high	96.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	159.9	176.6	0	0	0	0	0	112.9	L161 W170 F185 V205 R206	L161-A187 HydrophobicContact CD2-CB 3.37Å; W170-A187 VanDerWaalsContact O-CA 3.26Å; W170-A187 WeakPolarHBondContact O-CA 3.46Å; F185-A187 HydrophobicContact CE1-CB 3.88Å; F185-A187 HydrophobicContact CZ-CB 3.72Å; A187-V205 CarbonylContact O-C 3.52Å; A187-V205 WeakPolarHBondContact O-CA 3.47Å; A187-R206 HydrophobicContact CB-CB 4.25Å; A187-R206 PolarHBondContact N-O 2.83Å; A187-R206 PolarHBondContact O-N 3.32Å
188	A	98.3	Very high	96.9	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.8	164.3	0	0	0	0	0	109.9	W170 V203 Q204 L227 V231	W170-A188 HydrophobicContact CB-CB 4.04Å; W170-A188 WeakPolarHBondContact CB-O 3.35Å; W170-A188 HydrophobicContact CD2-CB 4.21Å; W170-A188 HydrophobicContact CE3-CB 4.21Å; W170-A188 HydrophobicContact CG-CB 4.18Å; W170-A188 PolarHBondContact O-N 3.04Å; A188-V203 HydrophobicContact CB-CB 3.94Å; A188-V203 HydrophobicContact CB-CG1 4.38Å; A188-V203 HydrophobicContact CB-CG2 4.03Å; A188-Q204 CarbonylContact C-O 3.56Å; A188-Q204 VanDerWaalsContact CA-O 3.29Å; A188-Q204 WeakPolarHBondContact CA-O 3.22Å; A188-L227 HydrophobicContact CB-CD1 3.87Å; A188-L227 HydrophobicContact CB-CD2 4.1Å; A188-L227 HydrophobicContact CB-CG 4.29Å; A188-V231 HydrophobicContact CB-CG2 4.14Å
189	V	97.9	Very high	97.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148	171.7	-60.6	0	0	0	0	109.7	P163 V203 Q204 R206	P163-V189 HydrophobicContact CG-CB 3.66Å; P163-V189 HydrophobicContact CG-CG1 3.91Å; P163-V189 HydrophobicContact CG-CG2 4.18Å; V189-V203 CarbonylContact O-C 3.57Å; V189-V203 VanDerWaalsContact O-CA 3.29Å; V189-V203 WeakPolarHBondContact O-CA 3.37Å; V189-Q204 HydrophobicContact CG2-CB 3.78Å; V189-Q204 PolarHBondContact N-O 3.49Å; V189-Q204 PolarHBondContact O-N 2.96Å; V189-R206 HydrophobicContact CG1-CG 4.39Å; V189-R206 HydrophobicContact CG2-CG 4.06Å
190	P	97.4	Very high	97.3	Very high	10 Å²	10	37.5 Å²	37.5	7%	0.065	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	147.4	179.5	30.5	-37.5	0	0	0	110.4	P164 N165 W170	P164-P190 WeakPolarHBondContact O-CG 3.41Å; N165-P190 HydrophobicContact CB-CG 4.2Å; N165-P190 WeakPolarHBondContact O-CG 3.3Å; W170-P190 HydrophobicContact CZ3-CB 4.17Å
191	A	96.4	Very high	97.4	Very high	3 Å²	3	37.1 Å²	37.1	3%	0.025	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	133.4	170.8	0	0	0	0	0	111	V193 L202 Q204	A191-V193 HydrophobicContact CB-CG2 4.04Å; A191-L202 HydrophobicContact CB-CD1 4.09Å; A191-L202 PolarHBondContact N-O 3.15Å; A191-L202 CarbonylContact O-C 3.57Å; A191-L202 PolarHBondContact O-N 2.82Å; A191-Q204 HydrophobicContact CB-CG 3.62Å; A191-Q204 VanDerWaalsContact CB-NE2 3.26Å
192	D	97.9	Very high	97.5	Very high	36 Å²	36	33.1 Å²	33.1	19%	0.193	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.7	162.1	-68.8	-43.3	0	0	0	108.7	K200 R201 L325	D192-K200 WeakPolarHBondContact CA-O 3.38Å; D192-R201 WeakPolarHBondContact OD1-CA 3.5Å; D192-R201 WeakPolarHBondContact OD1-CB 3.5Å; D192-R201 WeakPolarHBondContact OD1-CD 3.37Å; D192-R201 IonicContact OD1-CZ 3.68Å; D192-R201 IonicContact OD1-NE 3.34Å; D192-R201 PolarHBondContact OD1-NE 2.95Å; D192-R201 IonicContact OD1-NH1 2.76Å; D192-R201 IonicContact OD1-NH2 3.58Å; D192-R201 PolarHBondContact OD1-NH2 2.95Å; D192-R201 IonicContact OD2-CZ 3.4Å; D192-R201 IonicContact OD2-NE 3.35Å; D192-R201 IonicContact OD2-NH1 2.55Å; D192-R201 PolarHBondContact OD2-NH1 3.14Å; D192-R201 VanDerWaalsContact OD2-NH1 3.07Å; D192-R201 IonicContact OD2-NH2 2.67Å; D192-R201 PolarHBondContact OD2-NH2 2.93Å; D192-L325 HydrophobicContact CB-CB 3.76Å; D192-L325 HydrophobicContact CB-CD1 4.31Å; D192-L325 PolarHBondContact O-N 2.74Å
193	V	98	Very high	97.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.9	-173.9	-178.6	0	0	0	0	109.4	A191 I195 K200 L202 L322 S323	A191-V193 HydrophobicContact CB-CG2 4.04Å; V193-I195 HydrophobicContact CG1-CG1 3.92Å; V193-K200 PolarHBondContact N-O 3.3Å; V193-K200 PolarHBondContact O-N 3.33Å; V193-L202 HydrophobicContact CB-CD2 4.09Å; V193-L202 HydrophobicContact CB-CG 4.31Å; V193-L202 HydrophobicContact CG2-CD1 3.83Å; V193-L202 HydrophobicContact CG2-CD2 4.21Å; V193-L202 HydrophobicContact CG2-CG 4.05Å; V193-L322 HydrophobicContact CG1-CD1 3.5Å; V193-L322 VanDerWaalsContact CG1-CD1 3.5Å; V193-S323 CarbonylContact C-O 3.5Å; V193-S323 WeakPolarHBondContact CA-O 3.43Å; V193-S323 WeakPolarHBondContact CG1-O 3.22Å
194	C	98.1	Very high	97.6	Very high	18 Å²	18	33.3 Å²	33.3	12%	0.122	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	121.8	165.7	-156.5	0	0	0	0	108.8	Y196 T198 L322 S323 L325	C194-Y196 PolarHBondContact SG-O 3.08Å; C194-T198 WeakPolarHBondContact CA-O 3.33Å; C194-L322 WeakPolarHBondContact O-CA 3.07Å; C194-S323 WeakPolarHBondContact CB-OG 3.22Å; C194-S323 PolarHBondContact N-O 2.86Å; C194-S323 PolarHBondContact O-N 3.41Å; C194-S323 VanDerWaalsContact O-N 3.09Å; C194-L325 HydrophobicContact CB-CD2 4.09Å; C194-L325 HydrophobicContact CB-CG 4.3Å
195	I	98	Very high	97.6	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	102.6	176.5	-52.8	163.3	0	0	0	106.7	V193 E197 T198 L202 H321 L322 L438 W441 C443	V193-I195 HydrophobicContact CG1-CG1 3.92Å; I195-E197 PolarHBondContact O-N 2.96Å; I195-E197 VanDerWaalsContact O-N 3.16Å; I195-T198 PolarHBondContact N-O 2.77Å; I195-T198 PolarHBondContact O-N 3.21Å; I195-L202 HydrophobicContact CD1-CD2 4.11Å; I195-H321 CarbonylContact C-O 3.35Å; I195-H321 WeakPolarHBondContact CA-O 3.42Å; I195-L322 HydrophobicContact CG1-CD1 4.02Å; I195-L438 HydrophobicContact CD1-CD1 3.93Å; I195-L438 HydrophobicContact CD1-CD2 4.03Å; I195-L438 HydrophobicContact CG1-CD1 4.39Å; I195-L438 HydrophobicContact CG2-CD1 3.97Å; I195-W441 HydrophobicContact CD1-CD2 4.44Å; I195-W441 HydrophobicContact CD1-CG 4.28Å; I195-C443 HydrophobicContact CG2-CB 4.37Å
196	Y	97.1	Very high	97.5	Very high	47 Å²	47	35 Å²	35	18%	0.184	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	-113.4	-163	-67	-98.1	0	0	0	109.9	H95 C194 H321 C443 P444 L445 M446	H95-Y196 AromaticContact CE1-CD1 3.98Å; H95-Y196 AromaticContact CE1-CD2 3.45Å; H95-Y196 VanDerWaalsContact CE1-CD2 3.45Å; H95-Y196 WeakPolarHBondContact CE1-CD2 3.49Å; H95-Y196 AromaticContact CE1-CE2 3.95Å; H95-Y196 AromaticContact CE1-CG 3.47Å; H95-Y196 VanDerWaalsContact CE1-CG 3.47Å; H95-Y196 AromaticContact ND1-CD2 3.81Å; C194-Y196 PolarHBondContact SG-O 3.08Å; Y196-H321 HydrophobicContact CD1-CB 4.02Å; Y196-H321 AromaticContact CD1-CG 3.79Å; Y196-H321 AromaticContact CD1-ND1 3.9Å; Y196-H321 HydrophobicContact CD2-CB 4.42Å; Y196-H321 HydrophobicContact CE1-CB 4.04Å; Y196-H321 AromaticContact CE1-CE1 3.88Å; Y196-H321 AromaticContact CE1-CG 3.7Å; Y196-H321 AromaticContact CE1-ND1 3.35Å; Y196-H321 WeakPolarHBondContact CE1-ND1 3.49Å; Y196-H321 HydrophobicContact CE2-CB 4.44Å; Y196-H321 HydrophobicContact CG-CB 4.22Å; Y196-H321 AromaticContact CZ-ND1 3.92Å; Y196-H321 PolarHBondContact N-O 2.83Å; Y196-C443 HydrophobicContact CD2-CB 4.13Å; Y196-C443 HydrophobicContact CE2-CB 3.89Å; Y196-P444 PolarHBondContact OH-O 3.24Å; Y196-P444 VanDerWaalsContact OH-O 3.07Å; Y196-L445 PolarHBondContact OH-O 3.43Å; Y196-M446 HydrophobicContact CD2-CE 4.42Å; Y196-M446 HydrophobicContact CE2-CE 3.72Å
197	E	95.1	Very high	97.4	Very high	187 Å²	187	35 Å²	35	87%	0.874	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-6.1	-179.4	-59.8	177.1	176.9	0	0	112.7	I195	I195-E197 PolarHBondContact O-N 2.96Å; I195-E197 VanDerWaalsContact O-N 3.16Å
198	T	97.3	Very high	97.3	Very high	42 Å²	42	37.9 Å²	37.9	26%	0.258	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.1	-175	-51.9	0	0	0	0	111.2	C194 I195 K200 W441	C194-T198 WeakPolarHBondContact CA-O 3.33Å; I195-T198 PolarHBondContact N-O 2.77Å; I195-T198 PolarHBondContact O-N 3.21Å; T198-K200 HydrophobicContact CG2-CD 4.38Å; T198-K200 HydrophobicContact CG2-CG 3.77Å; T198-W441 HydrophobicContact CG2-CH2 3.68Å; T198-W441 HydrophobicContact CG2-CZ2 3.76Å
199	K	97.6	Very high	97.2	Very high	152 Å²	152	38 Å²	38	66%	0.661	18%	0.179	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	127.2	169.1	-58.2	-176.2	176.2	179.2	0	110	L325	K199-L325 HydrophobicContact CB-CD1 3.76Å; K199-L325 HydrophobicContact CD-CD1 3.92Å; K199-L325 HydrophobicContact CG-CD1 3.74Å
200	K	96.7	Very high	97	Very high	70 Å²	70	38.6 Å²	38.6	30%	0.304	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	133.8	-178	-77.3	-73.9	177.9	168.6	0	111.6	D192 V193 T198 W441	D192-K200 WeakPolarHBondContact CA-O 3.38Å; V193-K200 PolarHBondContact N-O 3.3Å; V193-K200 PolarHBondContact O-N 3.33Å; T198-K200 HydrophobicContact CG2-CD 4.38Å; T198-K200 HydrophobicContact CG2-CG 3.77Å; K200-W441 HydrophobicContact CD-CH2 4.42Å; K200-W441 HydrophobicContact CD-CZ3 4.22Å; K200-W441 VanDerWaalsContact CE-CH2 3.49Å; K200-W441 VanDerWaalsContact CE-CZ3 3.41Å; K200-W441 HydrophobicContact CG-CH2 4.26Å; K200-W441 HydrophobicContact CG-CZ3 4.33Å
201	R	97.1	Very high	96.8	Very high	112 Å²	112	39.2 Å²	39.2	42%	0.423	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	121.7	158.7	179.2	73	71.6	-177	-9.7	107.9	D192 I236	D192-R201 WeakPolarHBondContact OD1-CA 3.5Å; D192-R201 WeakPolarHBondContact OD1-CB 3.5Å; D192-R201 WeakPolarHBondContact OD1-CD 3.37Å; D192-R201 IonicContact OD1-CZ 3.68Å; D192-R201 IonicContact OD1-NE 3.34Å; D192-R201 PolarHBondContact OD1-NE 2.95Å; D192-R201 IonicContact OD1-NH1 2.76Å; D192-R201 IonicContact OD1-NH2 3.58Å; D192-R201 PolarHBondContact OD1-NH2 2.95Å; D192-R201 IonicContact OD2-CZ 3.4Å; D192-R201 IonicContact OD2-NE 3.35Å; D192-R201 IonicContact OD2-NH1 2.55Å; D192-R201 PolarHBondContact OD2-NH1 3.14Å; D192-R201 VanDerWaalsContact OD2-NH1 3.07Å; D192-R201 IonicContact OD2-NH2 2.67Å; D192-R201 PolarHBondContact OD2-NH2 2.93Å; R201-I236 HydrophobicContact CG-CD1 4.29Å
202	L	97.5	Very high	96.5	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	-174.5	176.6	58.3	75.3	0	0	0	109.8	A191 V193 I195 Q238 V240 L438	A191-L202 HydrophobicContact CB-CD1 4.09Å; A191-L202 PolarHBondContact N-O 3.15Å; A191-L202 CarbonylContact O-C 3.57Å; A191-L202 PolarHBondContact O-N 2.82Å; V193-L202 HydrophobicContact CB-CD2 4.09Å; V193-L202 HydrophobicContact CB-CG 4.31Å; V193-L202 HydrophobicContact CG2-CD1 3.83Å; V193-L202 HydrophobicContact CG2-CD2 4.21Å; V193-L202 HydrophobicContact CG2-CG 4.05Å; I195-L202 HydrophobicContact CD1-CD2 4.11Å; L202-Q238 HydrophobicContact CB-CB 3.86Å; L202-Q238 WeakPolarHBondContact CB-O 3.32Å; L202-V240 HydrophobicContact CD1-CB 4.05Å; L202-V240 HydrophobicContact CD1-CG1 3.57Å; L202-L438 HydrophobicContact CD2-CD2 4.46Å
203	V	98.2	Very high	95.9	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	146.3	170	-59.4	0	0	0	0	112.8	W170 A188 V189 V231 I236 Q238 A239 V240	W170-V203 HydrophobicContact CE3-CG1 4.22Å; W170-V203 HydrophobicContact CH2-CG1 3.47Å; W170-V203 VanDerWaalsContact CH2-CG1 3.47Å; W170-V203 HydrophobicContact CZ2-CG1 3.9Å; W170-V203 HydrophobicContact CZ3-CG1 3.64Å; A188-V203 HydrophobicContact CB-CB 3.94Å; A188-V203 HydrophobicContact CB-CG1 4.38Å; A188-V203 HydrophobicContact CB-CG2 4.03Å; V189-V203 CarbonylContact O-C 3.57Å; V189-V203 VanDerWaalsContact O-CA 3.29Å; V189-V203 WeakPolarHBondContact O-CA 3.37Å; V203-V231 HydrophobicContact CB-CG1 4.43Å; V203-V231 HydrophobicContact CG1-CG1 3.72Å; V203-V231 HydrophobicContact CG1-CG2 4.22Å; V203-V231 HydrophobicContact CG2-CG1 3.81Å; V203-V231 HydrophobicContact CG2-CG2 4.07Å; V203-I236 HydrophobicContact CG1-CD1 4.25Å; V203-I236 HydrophobicContact CG1-CG2 4.16Å; V203-Q238 PolarHBondContact N-O 3.38Å; V203-A239 HydrophobicContact CG2-CB 3.61Å; V203-A239 CarbonylContact O-C 3.48Å; V203-A239 WeakPolarHBondContact O-CA 3.49Å; V203-A239 WeakPolarHBondContact O-CB 3.3Å; V203-V240 PolarHBondContact O-N 3.48Å
204	Q	97.9	Very high	95.3	Very high	15 Å²	15	45.3 Å²	45.3	7%	0.07	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.4	166.5	-73	170	11.6	0	0	109.3	A188 V189 A191 V240 L455	A188-Q204 CarbonylContact C-O 3.56Å; A188-Q204 VanDerWaalsContact CA-O 3.29Å; A188-Q204 WeakPolarHBondContact CA-O 3.22Å; V189-Q204 HydrophobicContact CG2-CB 3.78Å; V189-Q204 PolarHBondContact N-O 3.49Å; V189-Q204 PolarHBondContact O-N 2.96Å; A191-Q204 HydrophobicContact CB-CG 3.62Å; A191-Q204 VanDerWaalsContact CB-NE2 3.26Å; Q204-V240 WeakPolarHBondContact CA-O 3.5Å; Q204-V240 HydrophobicContact CB-CG1 4.26Å; Q204-V240 HydrophobicContact CG-CG1 3.4Å; Q204-V240 VanDerWaalsContact CG-CG1 3.4Å; Q204-L455 HydrophobicContact CB-CD2 4.45Å; Q204-L455 HydrophobicContact CG-CD2 3.96Å
205	V	98.1	Very high	94.8	Very high	30 Å²	30	48.6 Å²	48.6	18%	0.182	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	134.3	175.6	-175.5	0	0	0	0	109.9	I186 A187 L227 A239 V240	I186-V205 HydrophobicContact CD1-CG1 3.84Å; I186-V205 HydrophobicContact CG1-CG1 3.92Å; A187-V205 CarbonylContact O-C 3.52Å; A187-V205 WeakPolarHBondContact O-CA 3.47Å; V205-L227 HydrophobicContact CG1-CD2 4.04Å; V205-L227 HydrophobicContact CG2-CD2 4.35Å; V205-A239 HydrophobicContact CG2-CB 4.07Å; V205-V240 PolarHBondContact N-O 2.8Å
206	R	96.1	Very high	94	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.015	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.9	-171.9	-57.3	-64.9	-173.3	159.9	4.5	111.5	L161 A187 V189 L208 L455 P456 N457	L161-R206 HydrophobicContact CD2-CB 4.03Å; A187-R206 HydrophobicContact CB-CB 4.25Å; A187-R206 PolarHBondContact N-O 2.83Å; A187-R206 PolarHBondContact O-N 3.32Å; V189-R206 HydrophobicContact CG1-CG 4.39Å; V189-R206 HydrophobicContact CG2-CG 4.06Å; R206-L208 PolarHBondContact O-N 2.88Å; R206-L455 VanDerWaalsContact NH1-CA 3.34Å; R206-P456 VanDerWaalsContact NH1-C 3.29Å; R206-P456 VanDerWaalsContact NH1-CD 3.34Å; R206-P456 PolarHBondContact NH1-O 3.24Å; R206-N457 WeakPolarHBondContact CD-OD1 3.24Å; R206-N457 PolarHBondContact NH1-OD1 3.44Å
207	F	96.1	Very high	93.2	Very high	2 Å²	2	61 Å²	61	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	48.3	44.2	166.8	-57	-76.5	0	0	0	117	L136 Y140 F152 Y156 L157 A160 L161 F185 C209 N457	L136-F207 HydrophobicContact CD1-CB 4.35Å; L136-F207 HydrophobicContact CD1-CD1 4.05Å; L136-F207 HydrophobicContact CD1-CG 4.26Å; L136-F207 HydrophobicContact CD2-CB 4.1Å; Y140-F207 HydrophobicContact CE1-CD1 4.27Å; Y140-F207 HydrophobicContact CE2-CB 4.47Å; Y140-F207 HydrophobicContact CE2-CD1 4.35Å; Y140-F207 AromaticContact CZ-CD1 3.93Å; F152-F207 HydrophobicContact CD1-CE1 4.47Å; F152-F207 AromaticContact CE1-CE1 3.9Å; F152-F207 HydrophobicContact CE1-CE1 3.9Å; F152-F207 HydrophobicContact CZ-CE1 4.03Å; Y156-F207 HydrophobicContact CE1-CZ 4.11Å; L157-F207 HydrophobicContact CD2-CE1 4.37Å; L157-F207 HydrophobicContact CD2-CZ 4.31Å; A160-F207 HydrophobicContact CB-CE2 3.66Å; A160-F207 HydrophobicContact CB-CZ 3.87Å; L161-F207 HydrophobicContact CD1-CD2 4.24Å; L161-F207 HydrophobicContact CD1-CE2 4.5Å; L161-F207 HydrophobicContact CD2-CD2 3.67Å; L161-F207 HydrophobicContact CD2-CE2 4.08Å; L161-F207 HydrophobicContact CG-CD2 4Å; L161-F207 HydrophobicContact CG-CE2 4.04Å; F185-F207 HydrophobicContact CD1-CB 4.03Å; F185-F207 WeakPolarHBondContact CD1-O 3.34Å; F185-F207 HydrophobicContact CE1-CB 3.95Å; F207-C209 PolarHBondContact O-N 3.17Å; F207-N457 VanDerWaalsContact CD1-OXT 3.3Å; F207-N457 WeakPolarHBondContact CD1-OXT 3.23Å; F207-N457 WeakPolarHBondContact CE1-OXT 3.15Å
208	L	96.6	Very high	92.5	Very high	62 Å²	62	61 Å²	61	33%	0.325	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	114.3	169.7	170.7	59.2	0	0	0	109.9	F185 I186 R206 T220 L223 I224	F185-L208 WeakPolarHBondContact O-CA 3.48Å; I186-L208 HydrophobicContact CB-CD1 4.16Å; I186-L208 HydrophobicContact CD1-CB 4.39Å; I186-L208 HydrophobicContact CD1-CD1 4.09Å; I186-L208 HydrophobicContact CG1-CB 4.08Å; I186-L208 HydrophobicContact CG1-CD1 4.17Å; R206-L208 PolarHBondContact O-N 2.88Å; L208-T220 HydrophobicContact CD1-CG2 4.16Å; L208-T220 HydrophobicContact CD2-CG2 3.53Å; L208-T220 HydrophobicContact CG-CG2 4.33Å; L208-L223 HydrophobicContact CD1-CB 4.37Å; L208-L223 HydrophobicContact CD1-CD1 4.03Å; L208-I224 HydrophobicContact CD2-CD1 4.42Å
209	C	96.3	Very high	91.9	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.02	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	134.5	-177.9	-171	0	0	0	0	111	L135 L136 Y140 G184 F185 F207	L135-C209 HydrophobicContact CD2-CB 4.5Å; L136-C209 HydrophobicContact CD2-CB 3.59Å; Y140-C209 HydrophobicContact CD2-CB 4.07Å; G184-C209 CarbonylContact C-O 3.54Å; G184-C209 WeakPolarHBondContact CA-O 3.48Å; F185-C209 PolarHBondContact N-O 2.87Å; F185-C209 PolarHBondContact O-N 3.11Å; F207-C209 PolarHBondContact O-N 3.17Å
210	V	94.1	Very high	91.6	Very high	12 Å²	12	55.2 Å²	55.2	7%	0.073	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.9	170.9	174.7	0	0	0	0	108.1	K212 L214 R215 M219 L223	V210-K212 PolarHBondContact O-N 3.45Å; V210-L214 HydrophobicContact CG1-CB 3.97Å; V210-R215 HydrophobicContact CG1-CG 4.46Å; V210-M219 HydrophobicContact CG1-CB 4.14Å; V210-M219 HydrophobicContact CG1-CG 4.34Å; V210-M219 HydrophobicContact CG1-SD 3.8Å; V210-M219 HydrophobicContact CG2-CB 4.13Å; V210-M219 HydrophobicContact CG2-CG 4.06Å; V210-M219 HydrophobicContact CG2-SD 4.26Å; V210-L223 HydrophobicContact CG2-CD1 3.76Å
211	H	92.9	Very high	91.2	Very high	24 Å²	24	53.3 Å²	53.3	11%	0.111	24%	0.244	C	C	.	.			trans	-52.2	134.5	176.4	-172.3	-70.6	0	0	0	110.6	L135 N139 K181 V183 K213 L214 R215	L135-H211 HydrophobicContact CD1-CB 4.15Å; N139-H211 WeakPolarHBondContact OD1-CA 3.18Å; K181-H211 PolarHBondContact NZ-NE2 3.27Å; K181-H211 VanDerWaalsContact NZ-NE2 3.13Å; V183-H211 HydrophobicContact CB-CB 4.02Å; V183-H211 HydrophobicContact CG1-CB 4.41Å; V183-H211 VanDerWaalsContact O-CB 3.24Å; V183-H211 WeakPolarHBondContact O-CB 3.49Å; V183-H211 PolarHBondContact O-N 2.99Å; H211-K213 VanDerWaalsContact C-N 3.3Å; H211-K213 PolarHBondContact ND1-N 3.43Å; H211-K213 PolarHBondContact O-N 2.86Å; H211-K213 VanDerWaalsContact O-N 3.13Å; H211-L214 WeakPolarHBondContact O-CA 3.31Å; H211-L214 PolarHBondContact O-N 3.25Å; H211-R215 PolarHBondContact O-N 2.89Å
212	K	89.4	Confident	90.9	Very high	58 Å²	58	49.7 Å²	49.7	25%	0.252	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-50.4	-45.2	-171.4	-76.3	165.4	176	164.9	0	113.7	E138 N139 D145 V210 L214 R215	E138-K212 VanDerWaalsContact O-CE 3.25Å; E138-K212 WeakPolarHBondContact O-CE 3.5Å; E138-K212 PolarHBondContact O-NZ 2.97Å; N139-K212 HydrophobicContact CB-CG 4.45Å; N139-K212 PolarHBondContact OD1-N 3.24Å; D145-K212 IonicContact OD1-NZ 2.77Å; D145-K212 PolarHBondContact OD1-NZ 3.04Å; D145-K212 WeakPolarHBondContact OD2-CE 3.32Å; D145-K212 IonicContact OD2-NZ 3.08Å; D145-K212 PolarHBondContact OD2-NZ 2.99Å; V210-K212 PolarHBondContact O-N 3.45Å; K212-L214 PolarHBondContact O-N 2.85Å; K212-R215 WeakPolarHBondContact O-CB 3.34Å; K212-R215 PolarHBondContact O-N 3.38Å; K212-R215 VanDerWaalsContact O-N 3.12Å
213	K	86.6	Confident	90.7	Very high	84 Å²	84	49.6 Å²	49.6	37%	0.365	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-60.3	-13.9	176.6	-61.3	-173.6	-177.5	-173.6	0	115.3	F38 D42 H211	F38-K213 HydrophobicContact CB-CD 4.49Å; D42-K213 IonicContact OD2-NZ 2.7Å; D42-K213 PolarHBondContact OD2-NZ 3.38Å; H211-K213 VanDerWaalsContact C-N 3.3Å; H211-K213 PolarHBondContact ND1-N 3.43Å; H211-K213 PolarHBondContact O-N 2.86Å; H211-K213 VanDerWaalsContact O-N 3.13Å
214	L	84.9	Confident	90.6	Very high	24 Å²	24	50.5 Å²	50.5	13%	0.126	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-114	1.9	-179.7	-58.7	179	0	0	0	113.2	F116 V183 V210 H211 K212 K217 M219	F116-L214 HydrophobicContact CE1-CD1 3.84Å; F116-L214 HydrophobicContact CZ-CD1 4.22Å; F116-L214 HydrophobicContact CZ-CD2 4.28Å; V183-L214 HydrophobicContact CB-CD1 3.66Å; V183-L214 HydrophobicContact CG1-CD1 4.22Å; V183-L214 HydrophobicContact CG2-CD1 3.72Å; V210-L214 HydrophobicContact CG1-CB 3.97Å; H211-L214 WeakPolarHBondContact O-CA 3.31Å; H211-L214 PolarHBondContact O-N 3.25Å; K212-L214 PolarHBondContact O-N 2.85Å; L214-K217 HydrophobicContact CD2-CD 4.25Å; L214-K217 WeakPolarHBondContact O-CB 3.14Å; L214-K217 PolarHBondContact O-N 2.95Å; L214-M219 HydrophobicContact CB-CE 4.05Å; L214-M219 HydrophobicContact CD1-CE 3.62Å; L214-M219 HydrophobicContact CD1-SD 4.33Å; L214-M219 HydrophobicContact CG-CE 4.37Å
215	R	86.6	Confident	90.4	Very high	87 Å²	87	55.5 Å²	55.5	33%	0.328	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	154.4	172.7	-67.2	179.8	-178.3	178.7	-2.3	110.3	N139 M141 V210 H211 K212 K217	N139-R215 PolarHBondContact O-NH2 3.27Å; M141-R215 PolarHBondContact O-NH2 2.62Å; V210-R215 HydrophobicContact CG1-CG 4.46Å; H211-R215 PolarHBondContact O-N 2.89Å; K212-R215 WeakPolarHBondContact O-CB 3.34Å; K212-R215 PolarHBondContact O-N 3.38Å; K212-R215 VanDerWaalsContact O-N 3.12Å; R215-K217 PolarHBondContact O-N 2.77Å; R215-K217 VanDerWaalsContact O-N 3.1Å
216	L	81.1	Confident	90.3	Very high	165 Å²	165	54.1 Å²	54.1	86%	0.864	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	5.1	-175.2	-52.1	175.7	0	0	0	115.9
217	K	81.4	Confident	90.4	Very high	145 Å²	145	54.2 Å²	54.2	63%	0.63	25%	0.249	S	C	*	.	S	Bend	trans	-96.7	23.3	175.1	-57.1	-174.2	-179.1	178.7	0	114	L214 R215 M219	L214-K217 HydrophobicContact CD2-CD 4.25Å; L214-K217 WeakPolarHBondContact O-CB 3.14Å; L214-K217 PolarHBondContact O-N 2.95Å; R215-K217 PolarHBondContact O-N 2.77Å; R215-K217 VanDerWaalsContact O-N 3.1Å; K217-M219 PolarHBondContact O-N 3Å
218	R	79.8	Confident	90.4	Very high	185 Å²	185	55.4 Å²	55.4	70%	0.698	26%	0.257	S	S	*	.	S	Bend	trans	57.5	25.7	178.8	-55.8	-175.5	178.4	-168.4	3.4	115.6	P221	R218-P221 WeakPolarHBondContact O-CD 3.49Å
219	M	85	Confident	90.4	Very high	20 Å²	20	53.7 Å²	53.7	10%	0.099	25%	0.246	C	C	.	.	H	α-helix	trans	-66.9	-39	176.1	-172.7	167.7	-67.1	0	0	112.7	F116 V210 L214 K217 V222 L223	F116-M219 HydrophobicContact CE1-CE 4.37Å; V210-M219 HydrophobicContact CG1-CB 4.14Å; V210-M219 HydrophobicContact CG1-CG 4.34Å; V210-M219 HydrophobicContact CG1-SD 3.8Å; V210-M219 HydrophobicContact CG2-CB 4.13Å; V210-M219 HydrophobicContact CG2-CG 4.06Å; V210-M219 HydrophobicContact CG2-SD 4.26Å; L214-M219 HydrophobicContact CB-CE 4.05Å; L214-M219 HydrophobicContact CD1-CE 3.62Å; L214-M219 HydrophobicContact CD1-SD 4.33Å; L214-M219 HydrophobicContact CG-CE 4.37Å; K217-M219 PolarHBondContact O-N 3Å; M219-V222 PolarHBondContact O-N 3.47Å; M219-L223 HydrophobicContact CG-CD1 3.99Å; M219-L223 HydrophobicContact CG-CG 4.46Å; M219-L223 PolarHBondContact O-N 3.45Å
220	T	90.7	Very high	90.4	Very high	53 Å²	53	54.5 Å²	54.5	33%	0.325	25%	0.249	S	C	.	.	H	α-helix	trans	-56.2	-50.6	180	-58.8	0	0	0	0	113.7	L208 V222 L223 I224	L208-T220 HydrophobicContact CD1-CG2 4.16Å; L208-T220 HydrophobicContact CD2-CG2 3.53Å; L208-T220 HydrophobicContact CG-CG2 4.33Å; T220-V222 PolarHBondContact O-N 2.92Å; T220-L223 PolarHBondContact O-N 2.89Å; T220-I224 HydrophobicContact CG2-CD1 3.8Å; T220-I224 HydrophobicContact CG2-CG1 4.42Å; T220-I224 WeakPolarHBondContact O-CG1 3.47Å; T220-I224 PolarHBondContact O-N 2.81Å
221	P	90.1	Very high	90.6	Very high	30 Å²	30	54.2 Å²	54.2	20%	0.195	25%	0.247	C	C	.	.	H	α-helix	trans	-50.3	-39.5	171.4	-34.5	36.9	0	0	0	115.3	F79 R218 R225	F79-P221 HydrophobicContact CB-CG 4.26Å; F79-P221 HydrophobicContact CD2-CB 3.52Å; F79-P221 HydrophobicContact CD2-CG 3.93Å; F79-P221 HydrophobicContact CE2-CB 3.69Å; F79-P221 HydrophobicContact CE2-CG 4.45Å; F79-P221 HydrophobicContact CG-CB 4.1Å; F79-P221 HydrophobicContact CG-CG 4.01Å; F79-P221 HydrophobicContact CZ-CB 4.43Å; R218-P221 WeakPolarHBondContact O-CD 3.49Å; P221-R225 WeakPolarHBondContact O-CB 3.48Å; P221-R225 VanDerWaalsContact O-CG 3.27Å; P221-R225 WeakPolarHBondContact O-CG 3.41Å; P221-R225 PolarHBondContact O-N 3.26Å
222	V	89.3	Confident	90.7	Very high	36 Å²	36	54.8 Å²	54.8	22%	0.218	25%	0.251	C	S	.	.	H	α-helix	trans	-74.2	-40.7	-176.9	-177.8	0	0	0	0	110.8	C110 L112 W118 M219 T220 R225 E226	C110-V222 HydrophobicContact CB-CG1 4.31Å; L112-V222 HydrophobicContact CD2-CG1 3.85Å; W118-V222 HydrophobicContact CH2-CG1 3.91Å; W118-V222 HydrophobicContact CZ2-CG1 3.72Å; M219-V222 PolarHBondContact O-N 3.47Å; T220-V222 PolarHBondContact O-N 2.92Å; V222-R225 PolarHBondContact O-N 2.72Å; V222-E226 PolarHBondContact O-N 2.73Å
223	L	94.2	Very high	91	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58	-49.1	171.6	-80.6	161.6	0	0	0	111.9	W118 L172 V174 I186 L208 V210 M219 T220 E226 L227	W118-L223 HydrophobicContact CH2-CD2 4.43Å; W118-L223 HydrophobicContact CZ3-CD2 3.87Å; L172-L223 HydrophobicContact CD2-CD2 4.15Å; L172-L223 HydrophobicContact CG-CD2 4.38Å; V174-L223 HydrophobicContact CG2-CD2 3.85Å; V174-L223 HydrophobicContact CG2-CG 4.44Å; I186-L223 HydrophobicContact CB-CB 4.47Å; I186-L223 HydrophobicContact CB-CD2 4.39Å; I186-L223 HydrophobicContact CG2-CB 4.02Å; I186-L223 HydrophobicContact CG2-CD2 3.82Å; L208-L223 HydrophobicContact CD1-CB 4.37Å; L208-L223 HydrophobicContact CD1-CD1 4.03Å; V210-L223 HydrophobicContact CG2-CD1 3.76Å; M219-L223 HydrophobicContact CG-CD1 3.99Å; M219-L223 HydrophobicContact CG-CG 4.46Å; M219-L223 PolarHBondContact O-N 3.45Å; T220-L223 PolarHBondContact O-N 2.89Å; L223-E226 PolarHBondContact O-N 2.82Å; L223-L227 WeakPolarHBondContact O-CB 3.47Å; L223-L227 PolarHBondContact O-N 3.38Å
224	I	95.5	Very high	91.4	Very high	21 Å²	21	56.5 Å²	56.5	11%	0.108	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-48.2	179.6	-66.3	168.8	0	0	0	110.3	F79 W80 I186 L208 T220 E226 L227 T228	F79-I224 HydrophobicContact CE1-CB 4.46Å; F79-I224 HydrophobicContact CE1-CD1 3.81Å; F79-I224 HydrophobicContact CE1-CG2 4.24Å; F79-I224 HydrophobicContact CZ-CB 3.99Å; F79-I224 HydrophobicContact CZ-CD1 4.18Å; F79-I224 HydrophobicContact CZ-CG2 3.81Å; W80-I224 HydrophobicContact CH2-CD1 4.47Å; W80-I224 HydrophobicContact CZ2-CD1 4.27Å; I186-I224 HydrophobicContact CD1-CG1 4.06Å; L208-I224 HydrophobicContact CD2-CD1 4.42Å; T220-I224 HydrophobicContact CG2-CD1 3.8Å; T220-I224 HydrophobicContact CG2-CG1 4.42Å; T220-I224 WeakPolarHBondContact O-CG1 3.47Å; T220-I224 PolarHBondContact O-N 2.81Å; I224-E226 PolarHBondContact O-N 3.04Å; I224-L227 PolarHBondContact O-N 2.86Å; I224-T228 WeakPolarHBondContact O-CB 3.47Å; I224-T228 PolarHBondContact O-N 2.86Å; I224-T228 PolarHBondContact O-OG1 3.28Å
225	R	93.6	Very high	91.9	Very high	121 Å²	121	57.7 Å²	57.7	46%	0.457	28%	0.279	S	S	.	.	H	α-helix	trans	-60.8	-42.5	179.9	-76	174.3	177.1	-176.4	-1.2	113	F79 P221 V222 T228 R229	F79-R225 HydrophobicContact CE2-CG 4.18Å; P221-R225 WeakPolarHBondContact O-CB 3.48Å; P221-R225 VanDerWaalsContact O-CG 3.27Å; P221-R225 WeakPolarHBondContact O-CG 3.41Å; P221-R225 PolarHBondContact O-N 3.26Å; V222-R225 PolarHBondContact O-N 2.72Å; R225-T228 PolarHBondContact O-N 3.5Å; R225-R229 WeakPolarHBondContact O-CB 3.32Å; R225-R229 PolarHBondContact O-N 3.02Å
226	E	96.3	Very high	92.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.1	-39.5	178.1	177.2	58.1	-162.1	0	0	111.7	P109 C110 W118 L172 V222 L223 I224 R229 R230	P109-E226 WeakPolarHBondContact CA-OE2 3.49Å; C110-E226 HydrophobicContact CB-CB 4.22Å; C110-E226 PolarHBondContact N-OE2 2.79Å; W118-E226 HydrophobicContact CD2-CG 4.15Å; W118-E226 HydrophobicContact CE3-CG 4.34Å; W118-E226 HydrophobicContact CH2-CB 3.65Å; W118-E226 HydrophobicContact CH2-CG 3.99Å; W118-E226 HydrophobicContact CZ2-CB 3.6Å; W118-E226 HydrophobicContact CZ2-CG 3.79Å; W118-E226 HydrophobicContact CZ3-CB 4.32Å; W118-E226 HydrophobicContact CZ3-CG 4.26Å; L172-E226 HydrophobicContact CD1-CG 3.91Å; L172-E226 HydrophobicContact CD2-CB 3.74Å; L172-E226 HydrophobicContact CD2-CG 3.54Å; L172-E226 HydrophobicContact CG-CG 4.4Å; V222-E226 PolarHBondContact O-N 2.73Å; L223-E226 PolarHBondContact O-N 2.82Å; I224-E226 PolarHBondContact O-N 3.04Å; E226-R229 WeakPolarHBondContact O-CB 3.3Å; E226-R229 PolarHBondContact O-N 3.03Å; E226-R229 IonicContact OE1-CZ 3.52Å; E226-R229 IonicContact OE1-NE 3.37Å; E226-R229 PolarHBondContact OE1-NE 2.9Å; E226-R229 IonicContact OE1-NH2 3.01Å; E226-R229 PolarHBondContact OE1-NH2 3.37Å; E226-R229 IonicContact OE2-CZ 3.07Å; E226-R229 IonicContact OE2-NE 2.67Å; E226-R229 PolarHBondContact OE2-NE 2.83Å; E226-R229 IonicContact OE2-NH2 2.9Å; E226-R230 WeakPolarHBondContact O-CG 3.43Å; E226-R230 PolarHBondContact O-N 2.84Å; E226-R230 IonicContact OE1-CZ 3.15Å; E226-R230 IonicContact OE1-NE 3.91Å; E226-R230 PolarHBondContact OE1-NE 3.21Å; E226-R230 IonicContact OE1-NH2 2.74Å
227	L	97.9	Very high	93.1	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-61.2	-48.3	173.2	-175.7	65.3	0	0	0	111.1	W170 I186 A188 V205 L223 I224 R229 R230 V231	W170-L227 HydrophobicContact CB-CD1 4.46Å; I186-L227 HydrophobicContact CD1-CB 4.38Å; I186-L227 HydrophobicContact CD1-CD2 3.56Å; I186-L227 HydrophobicContact CG1-CD2 3.74Å; I186-L227 HydrophobicContact CG2-CB 4.06Å; I186-L227 HydrophobicContact CG2-CD2 4.16Å; A188-L227 HydrophobicContact CB-CD1 3.87Å; A188-L227 HydrophobicContact CB-CD2 4.1Å; A188-L227 HydrophobicContact CB-CG 4.29Å; V205-L227 HydrophobicContact CG1-CD2 4.04Å; V205-L227 HydrophobicContact CG2-CD2 4.35Å; L223-L227 WeakPolarHBondContact O-CB 3.47Å; L223-L227 PolarHBondContact O-N 3.38Å; I224-L227 PolarHBondContact O-N 2.86Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 3.31Å; L227-R230 PolarHBondContact O-N 3.28Å; L227-R230 VanDerWaalsContact O-N 3.15Å; L227-V231 HydrophobicContact CD1-CG2 4.31Å; L227-V231 HydrophobicContact CG-CG2 4.33Å; L227-V231 VanDerWaalsContact O-CG2 3.29Å; L227-V231 WeakPolarHBondContact O-CG2 3.28Å; L227-V231 PolarHBondContact O-N 3.45Å
228	T	96.4	Very high	93.9	Very high	27 Å²	27	43.5 Å²	43.5	17%	0.166	21%	0.213	C	C	.	.	H	α-helix	trans	-54.4	-45.8	175.2	-60.7	0	0	0	0	111.1	I224 R225 R230 V231 N232 Y439	I224-T228 WeakPolarHBondContact O-CB 3.47Å; I224-T228 PolarHBondContact O-N 2.86Å; I224-T228 PolarHBondContact O-OG1 3.28Å; R225-T228 PolarHBondContact O-N 3.5Å; T228-R230 PolarHBondContact O-N 2.86Å; T228-V231 PolarHBondContact O-N 2.96Å; T228-N232 WeakPolarHBondContact O-CB 3.43Å; T228-N232 PolarHBondContact O-N 3.08Å; T228-N232 PolarHBondContact O-OD1 3.2Å; T228-Y439 HydrophobicContact CG2-CE1 3.94Å
229	R	95.7	Very high	94.8	Very high	26 Å²	26	35 Å²	35	10%	0.098	18%	0.183	C	C	.	.	H	α-helix	trans	-58.3	-48	177.5	-167.5	-165.2	68.5	71.9	5.1	111.7	V105 R106 S107 E108 R225 E226 L227 V231 N232 Q233	V105-R229 HydrophobicContact CG1-CG 4.39Å; R106-R229 WeakPolarHBondContact O-CD 3.01Å; R106-R229 WeakPolarHBondContact O-CG 3.29Å; R106-R229 PolarHBondContact O-NH1 2.65Å; S107-R229 PolarHBondContact O-NH1 2.67Å; E108-R229 WeakPolarHBondContact O-CD 3.42Å; E108-R229 PolarHBondContact O-NE 3.07Å; R225-R229 WeakPolarHBondContact O-CB 3.32Å; R225-R229 PolarHBondContact O-N 3.02Å; E226-R229 WeakPolarHBondContact O-CB 3.3Å; E226-R229 PolarHBondContact O-N 3.03Å; E226-R229 IonicContact OE1-CZ 3.52Å; E226-R229 IonicContact OE1-NE 3.37Å; E226-R229 PolarHBondContact OE1-NE 2.9Å; E226-R229 IonicContact OE1-NH2 3.01Å; E226-R229 PolarHBondContact OE1-NH2 3.37Å; E226-R229 IonicContact OE2-CZ 3.07Å; E226-R229 IonicContact OE2-NE 2.67Å; E226-R229 PolarHBondContact OE2-NE 2.83Å; E226-R229 IonicContact OE2-NH2 2.9Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 3.31Å; R229-V231 VanDerWaalsContact C-N 3.33Å; R229-V231 PolarHBondContact O-N 3.25Å; R229-N232 PolarHBondContact O-N 2.91Å; R229-Q233 WeakPolarHBondContact O-CG 3.34Å; R229-Q233 PolarHBondContact O-N 3.49Å
230	R	97.6	Very high	95.4	Very high	21 Å²	21	34.1 Å²	34.1	8%	0.079	18%	0.178	C	C	.	.	H	α-helix	trans	-66.6	-32.2	179.7	-67.8	-172.6	-174.8	-159.7	-1.3	113.3	T120 Q169 W170 L172 E226 L227 T228	T120-R230 PolarHBondContact OG1-NH1 3.3Å; Q169-R230 WeakPolarHBondContact O-CD 3.45Å; Q169-R230 PolarHBondContact O-NH1 3.49Å; W170-R230 PolarHBondContact NE1-O 3.2Å; L172-R230 VanDerWaalsContact CD1-NH2 3.28Å; E226-R230 WeakPolarHBondContact O-CG 3.43Å; E226-R230 PolarHBondContact O-N 2.84Å; E226-R230 IonicContact OE1-CZ 3.15Å; E226-R230 IonicContact OE1-NE 3.91Å; E226-R230 PolarHBondContact OE1-NE 3.21Å; E226-R230 IonicContact OE1-NH2 2.74Å; L227-R230 PolarHBondContact O-N 3.28Å; L227-R230 VanDerWaalsContact O-N 3.15Å; T228-R230 PolarHBondContact O-N 2.86Å
231	V	97.4	Very high	95.7	Very high	6 Å²	6	32.7 Å²	32.7	4%	0.036	17%	0.167	C	C	.	.	H	α-helix	trans	-72.9	-45.8	175.4	173.9	0	0	0	0	110.4	W170 A188 V203 L227 T228 R229 Q233 Q234 I236	W170-V231 HydrophobicContact CD2-CG2 4.38Å; W170-V231 HydrophobicContact CG-CG2 4.42Å; W170-V231 HydrophobicContact CZ2-CG2 4.4Å; A188-V231 HydrophobicContact CB-CG2 4.14Å; V203-V231 HydrophobicContact CB-CG1 4.43Å; V203-V231 HydrophobicContact CG1-CG1 3.72Å; V203-V231 HydrophobicContact CG1-CG2 4.22Å; V203-V231 HydrophobicContact CG2-CG1 3.81Å; V203-V231 HydrophobicContact CG2-CG2 4.07Å; L227-V231 HydrophobicContact CD1-CG2 4.31Å; L227-V231 HydrophobicContact CG-CG2 4.33Å; L227-V231 VanDerWaalsContact O-CG2 3.29Å; L227-V231 WeakPolarHBondContact O-CG2 3.28Å; L227-V231 PolarHBondContact O-N 3.45Å; T228-V231 PolarHBondContact O-N 2.96Å; R229-V231 VanDerWaalsContact C-N 3.33Å; R229-V231 PolarHBondContact O-N 3.25Å; V231-Q233 VanDerWaalsContact C-N 3.27Å; V231-Q233 PolarHBondContact O-N 3.17Å; V231-Q234 WeakPolarHBondContact O-CA 3.4Å; V231-Q234 WeakPolarHBondContact O-CB 3.5Å; V231-Q234 PolarHBondContact O-N 2.96Å; V231-I236 CarbonylContact C-O 3.56Å; V231-I236 HydrophobicContact CG1-CB 3.82Å; V231-I236 HydrophobicContact CG1-CG2 3.86Å; V231-I236 WeakPolarHBondContact CG1-O 3.31Å; V231-I236 PolarHBondContact O-N 2.78Å
232	N	96.2	Very high	96	Very high	36 Å²	36	32.3 Å²	32.3	19%	0.193	17%	0.166	C	C	.	.	H	α-helix	trans	-60.6	-34.6	175.9	-70.3	6.1	0	0	0	112.3	V105 T228 R229 Q234 G235 I236 Y237	V105-N232 HydrophobicContact CB-CB 4.46Å; V105-N232 HydrophobicContact CG1-CB 3.73Å; V105-N232 HydrophobicContact CG2-CB 3.82Å; T228-N232 WeakPolarHBondContact O-CB 3.43Å; T228-N232 PolarHBondContact O-N 3.08Å; T228-N232 PolarHBondContact O-OD1 3.2Å; R229-N232 PolarHBondContact O-N 2.91Å; N232-Q234 PolarHBondContact O-N 3.05Å; N232-Q234 VanDerWaalsContact O-N 3.15Å; N232-G235 PolarHBondContact O-N 3.38Å; N232-I236 VanDerWaalsContact CA-O 3.26Å; N232-I236 WeakPolarHBondContact CA-O 3.47Å; N232-I236 PolarHBondContact N-O 2.78Å; N232-I236 PolarHBondContact OD1-O 2.81Å; N232-I236 VanDerWaalsContact OD1-O 3.07Å; N232-Y237 HydrophobicContact CB-CD1 4.07Å; N232-Y237 HydrophobicContact CB-CE1 3.88Å
233	Q	95.3	Very high	96.2	Very high	83 Å²	83	31.7 Å²	31.7	39%	0.388	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.5	173.6	-77.9	-174.2	-47.8	0	0	113.8	V105 R229 V231	V105-Q233 HydrophobicContact CB-CG 4.49Å; V105-Q233 HydrophobicContact CG1-CG 3.78Å; R229-Q233 WeakPolarHBondContact O-CG 3.34Å; R229-Q233 PolarHBondContact O-N 3.49Å; V231-Q233 VanDerWaalsContact C-N 3.27Å; V231-Q233 PolarHBondContact O-N 3.17Å
234	Q	95.5	Very high	96	Very high	94 Å²	94	34.1 Å²	34.1	44%	0.439	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	9.2	173.6	-54.6	-56.3	-55.9	0	0	112.4	L167 W170 V231 N232 I236	L167-Q234 HydrophobicContact CD1-CG 4.1Å; W170-Q234 HydrophobicContact CZ2-CB 4.15Å; W170-Q234 HydrophobicContact CZ2-CG 4.01Å; V231-Q234 WeakPolarHBondContact O-CA 3.4Å; V231-Q234 WeakPolarHBondContact O-CB 3.5Å; V231-Q234 PolarHBondContact O-N 2.96Å; N232-Q234 PolarHBondContact O-N 3.05Å; N232-Q234 VanDerWaalsContact O-N 3.15Å; Q234-I236 VanDerWaalsContact C-N 3.3Å; Q234-I236 PolarHBondContact O-N 2.8Å
235	G	94.8	Very high	95.8	Very high	49 Å²	49	33.7 Å²	33.7	51%	0.505	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	15	-179.9	0	0	0	0	0	114.7	N232 Y237	N232-G235 PolarHBondContact O-N 3.38Å; G235-Y237 WeakPolarHBondContact O-CD2 3.35Å; G235-Y237 VanDerWaalsContact O-CE2 3.32Å; G235-Y237 WeakPolarHBondContact O-CE2 3.25Å
236	I	96.4	Very high	95.8	Very high	24 Å²	24	28 Å²	28	12%	0.123	17%	0.167	C	C	.	.			trans	-105.1	130.9	175	-60.9	167.5	0	0	0	108.2	W170 R201 V203 V231 N232 Q234	W170-I236 HydrophobicContact CH2-CD1 3.73Å; W170-I236 HydrophobicContact CZ2-CD1 4.05Å; R201-I236 HydrophobicContact CG-CD1 4.29Å; V203-I236 HydrophobicContact CG1-CD1 4.25Å; V203-I236 HydrophobicContact CG1-CG2 4.16Å; V231-I236 CarbonylContact C-O 3.56Å; V231-I236 HydrophobicContact CG1-CB 3.82Å; V231-I236 HydrophobicContact CG1-CG2 3.86Å; V231-I236 WeakPolarHBondContact CG1-O 3.31Å; V231-I236 PolarHBondContact O-N 2.78Å; N232-I236 VanDerWaalsContact CA-O 3.26Å; N232-I236 WeakPolarHBondContact CA-O 3.47Å; N232-I236 PolarHBondContact N-O 2.78Å; N232-I236 PolarHBondContact OD1-O 2.81Å; N232-I236 VanDerWaalsContact OD1-O 3.07Å; Q234-I236 VanDerWaalsContact C-N 3.3Å; Q234-I236 PolarHBondContact O-N 2.8Å
237	Y	96.4	Very high	95.6	Very high	53 Å²	53	28.8 Å²	28.8	21%	0.208	17%	0.171	C	C	.	.			trans	-123.4	-2.6	-173.1	-59.6	-83.8	0	0	0	113.6	A101 V105 N232 G235 N440	A101-Y237 HydrophobicContact CB-CD1 4.01Å; A101-Y237 HydrophobicContact CB-CD2 3.79Å; A101-Y237 HydrophobicContact CB-CE1 3.92Å; A101-Y237 HydrophobicContact CB-CE2 3.69Å; A101-Y237 HydrophobicContact CB-CG 3.94Å; V105-Y237 HydrophobicContact CG2-CE1 4.16Å; N232-Y237 HydrophobicContact CB-CD1 4.07Å; N232-Y237 HydrophobicContact CB-CE1 3.88Å; G235-Y237 WeakPolarHBondContact O-CD2 3.35Å; G235-Y237 VanDerWaalsContact O-CE2 3.32Å; G235-Y237 WeakPolarHBondContact O-CE2 3.25Å; Y237-N440 VanDerWaalsContact O-CB 3.28Å; Y237-N440 WeakPolarHBondContact O-CB 3.23Å
238	Q	97.8	Very high	95.3	Very high	22 Å²	22	28.7 Å²	28.7	10%	0.103	17%	0.171	C	C	.	.			trans	-114.8	151.2	178.9	-74.3	74.1	40.4	0	0	110.5	L202 V203 Y439 N440 W441	L202-Q238 HydrophobicContact CB-CB 3.86Å; L202-Q238 WeakPolarHBondContact CB-O 3.32Å; V203-Q238 PolarHBondContact N-O 3.38Å; Q238-Y439 WeakPolarHBondContact CA-O 3.43Å; Q238-N440 WeakPolarHBondContact CG-O 3.15Å; Q238-N440 PolarHBondContact NE2-O 3Å; Q238-W441 HydrophobicContact CG-CB 4.26Å; Q238-W441 HydrophobicContact CG-CE3 4.06Å
239	A	98.1	Very high	95.1	Very high	8 Å²	8	28.3 Å²	28.3	7%	0.066	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	158.6	170.9	0	0	0	0	0	111.3	V203 V205 L438 Y439	V203-A239 HydrophobicContact CG2-CB 3.61Å; V203-A239 CarbonylContact O-C 3.48Å; V203-A239 WeakPolarHBondContact O-CA 3.49Å; V203-A239 WeakPolarHBondContact O-CB 3.3Å; V205-A239 HydrophobicContact CG2-CB 4.07Å; A239-L438 CarbonylContact O-C 3.59Å; A239-L438 WeakPolarHBondContact O-CA 3.36Å; A239-Y439 PolarHBondContact N-O 3.13Å; A239-Y439 PolarHBondContact O-N 2.75Å
240	V	98.1	Very high	95	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	-120.2	140.8	167.4	68.6	0	0	0	0	108.8	L202 V203 Q204 V205 Y437 L438 L453	L202-V240 HydrophobicContact CD1-CB 4.05Å; L202-V240 HydrophobicContact CD1-CG1 3.57Å; V203-V240 PolarHBondContact O-N 3.48Å; Q204-V240 WeakPolarHBondContact CA-O 3.5Å; Q204-V240 HydrophobicContact CB-CG1 4.26Å; Q204-V240 HydrophobicContact CG-CG1 3.4Å; Q204-V240 VanDerWaalsContact CG-CG1 3.4Å; V205-V240 PolarHBondContact N-O 2.8Å; V240-Y437 WeakPolarHBondContact CA-O 3.12Å; V240-Y437 WeakPolarHBondContact CG2-O 3.45Å; V240-L438 HydrophobicContact CB-CD2 3.81Å; V240-L438 HydrophobicContact CG2-CD2 3.79Å; V240-L453 HydrophobicContact CB-CD2 4.32Å; V240-L453 HydrophobicContact CG1-CD2 3.77Å; V240-L453 HydrophobicContact CG2-CD2 3.66Å
241	Y	97.6	Very high	95	Very high	23 Å²	23	26.8 Å²	26.8	9%	0.09	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	161.8	179.4	62.3	-82.7	0	0	0	110.6	W80 L247 Y437	W80-Y241 HydrophobicContact CH2-CE2 4.08Å; W80-Y241 AromaticContact CH2-CZ 3.75Å; W80-Y241 VanDerWaalsContact CH2-OH 3.32Å; W80-Y241 WeakPolarHBondContact CH2-OH 3.44Å; W80-Y241 VanDerWaalsContact CZ3-OH 3.31Å; W80-Y241 WeakPolarHBondContact CZ3-OH 3.09Å; Y241-L247 HydrophobicContact CE2-CD1 4.15Å; Y241-Y437 AromaticContact CD2-CD2 3.72Å; Y241-Y437 HydrophobicContact CD2-CD2 3.72Å; Y241-Y437 HydrophobicContact CD2-CG 4.02Å; Y241-Y437 VanDerWaalsContact CE1-CB 3.42Å; Y241-Y437 HydrophobicContact CE1-CG 4.35Å; Y241-Y437 HydrophobicContact CE2-CD1 4.28Å; Y241-Y437 AromaticContact CE2-CD2 3.47Å; Y241-Y437 HydrophobicContact CE2-CD2 3.47Å; Y241-Y437 VanDerWaalsContact CE2-CD2 3.47Å; Y241-Y437 HydrophobicContact CE2-CE2 4.35Å; Y241-Y437 AromaticContact CE2-CG 3.44Å; Y241-Y437 HydrophobicContact CE2-CG 3.44Å; Y241-Y437 VanDerWaalsContact CE2-CG 3.44Å; Y241-Y437 AromaticContact CZ-CG 3.63Å; Y241-Y437 PolarHBondContact N-O 2.78Å; Y241-Y437 PolarHBondContact O-N 3.35Å
242	A	96.1	Very high	94.9	Very high	22 Å²	22	26.8 Å²	26.8	18%	0.182	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150.8	173.2	0	0	0	0	0	111.6	V434 H435 Y436 L455	A242-V434 HydrophobicContact CB-CG1 3.71Å; A242-H435 CarbonylContact C-O 3.47Å; A242-H435 WeakPolarHBondContact CA-O 3.23Å; A242-H435 WeakPolarHBondContact CB-O 3.41Å; A242-Y436 HydrophobicContact CB-CD1 4.39Å; A242-Y436 HydrophobicContact CB-CE1 4.43Å; A242-L455 HydrophobicContact CB-CD1 3.72Å
243	A	93.5	Very high	94.9	Very high	24 Å²	24	26.9 Å²	26.9	20%	0.198	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.9	177.7	0	0	0	0	0	111.1	T245 L247 H435 Y437	A243-T245 VanDerWaalsContact C-N 3.32Å; A243-L247 HydrophobicContact CB-CD1 4.4Å; A243-H435 PolarHBondContact N-O 2.87Å; A243-H435 PolarHBondContact O-CD2 3.35Å; A243-H435 PolarHBondContact O-N 3.42Å; A243-Y437 HydrophobicContact CB-CE2 4.05Å
244	G	90.8	Very high	95	Very high	51 Å²	51	23 Å²	23	53%	0.526	15%	0.15	S	C	.	.	S	Bend	trans	-80.2	-14.4	170.6	0	0	0	0	0	113.8	S433	G244-S433 WeakPolarHBondContact CA-O 3.42Å
245	T	90.4	Very high	94.9	Very high	12 Å²	12	19.8 Å²	19.8	7%	0.074	14%	0.138	C	C	.	.	S	Bend	trans	-99.1	150.6	173.7	60.2	0	0	0	0	110.4	L65 P66 A243 Y437	L65-T245 HydrophobicContact CB-CG2 3.65Å; L65-T245 HydrophobicContact CD1-CG2 4.04Å; P66-T245 CarbonylContact O-C 3.57Å; P66-T245 WeakPolarHBondContact O-CA 3.37Å; A243-T245 VanDerWaalsContact C-N 3.32Å; T245-Y437 PolarHBondContact O-OH 3.14Å
246	V	93	Very high	94.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.123	C	C	.	.			trans	-83.9	118.6	177.5	-176.7	0	0	0	0	110.6	P66 L69 A72 Y77 H435	P66-V246 HydrophobicContact CB-CB 4.48Å; P66-V246 PolarHBondContact O-N 3.4Å; L69-V246 HydrophobicContact CD2-CG1 3.91Å; A72-V246 HydrophobicContact CB-CB 3.92Å; A72-V246 HydrophobicContact CB-CG1 3.41Å; A72-V246 VanDerWaalsContact CB-CG1 3.41Å; Y77-V246 PolarHBondContact OH-O 3.37Å; V246-H435 WeakPolarHBondContact CG2-NE2 3.45Å
247	L	93.3	Very high	94.9	Very high	18 Å²	18	19.3 Å²	19.3	9%	0.094	12%	0.121	C	C	.	.			trans	-112.4	162.8	172.9	-53.8	174.7	0	0	0	111.1	Y77 W80 Y241 A243 T249 P250 Y437	Y77-L247 HydrophobicContact CE1-CD2 4.16Å; W80-L247 HydrophobicContact CZ2-CD1 3.66Å; Y241-L247 HydrophobicContact CE2-CD1 4.15Å; A243-L247 HydrophobicContact CB-CD1 4.4Å; L247-T249 WeakPolarHBondContact O-CA 3.5Å; L247-P250 VanDerWaalsContact O-CD 3.24Å; L247-P250 WeakPolarHBondContact O-CD 3.3Å; L247-Y437 HydrophobicContact CB-CE1 3.84Å; L247-Y437 PolarHBondContact N-OH 2.67Å; L247-Y437 VanDerWaalsContact O-CE1 3.28Å; L247-Y437 WeakPolarHBondContact O-CE1 3.41Å
248	P	90.6	Very high	94.8	Very high	4 Å²	4	17.3 Å²	17.3	3%	0.026	11%	0.114	C	C	.	.	S	Bend	trans	-73.7	123	171.6	-18.7	33.6	0	0	0	112.5	Y77 W80 V85 T86 L88	Y77-P248 HydrophobicContact CD1-CG 4.05Å; Y77-P248 HydrophobicContact CD2-CG 3.48Å; Y77-P248 VanDerWaalsContact CD2-CG 3.48Å; Y77-P248 HydrophobicContact CE1-CG 4.36Å; Y77-P248 HydrophobicContact CE2-CG 3.85Å; Y77-P248 HydrophobicContact CG-CG 3.57Å; W80-P248 HydrophobicContact CB-CG 4.24Å; V85-P248 WeakPolarHBondContact CG2-O 3.13Å; T86-P248 CarbonylContact O-C 3.41Å; L88-P248 HydrophobicContact CD1-CB 4.42Å; L88-P248 HydrophobicContact CD1-CG 4.07Å; L88-P248 HydrophobicContact CG-CB 3.93Å; L88-P248 HydrophobicContact CG-CG 4.14Å
249	T	92.1	Very high	94.7	Very high	19 Å²	19	16.4 Å²	16.4	12%	0.117	11%	0.109	C	C	.	.			cis	-123.3	134.3	-21.6	-68.3	0	0	0	0	107.8	T86 K87 L88 L247 I251 L445	T86-T249 PolarHBondContact O-N 2.9Å; T86-T249 PolarHBondContact O-OG1 2.92Å; K87-T249 PolarHBondContact O-OG1 2.91Å; L88-T249 VanDerWaalsContact CA-OG1 3.24Å; L88-T249 WeakPolarHBondContact CA-OG1 3.27Å; L88-T249 HydrophobicContact CD2-CG2 4.15Å; L88-T249 PolarHBondContact N-OG1 3.03Å; L88-T249 VanDerWaalsContact N-OG1 3.1Å; L247-T249 WeakPolarHBondContact O-CA 3.5Å; T249-I251 PolarHBondContact O-N 2.99Å; T249-L445 HydrophobicContact CG2-CD2 4.46Å
250	P	94.8	Very high	94.6	Very high	8 Å²	8	16.4 Å²	16.4	5%	0.052	11%	0.109	C	C	.	.			trans	-68.2	130.7	-179.2	29.3	-34.9	0	0	0	110.2	L69 L247 S252 H435 Y436 Y437 L445	L69-P250 HydrophobicContact CD2-CG 4.07Å; L247-P250 VanDerWaalsContact O-CD 3.24Å; L247-P250 WeakPolarHBondContact O-CD 3.3Å; P250-S252 VanDerWaalsContact C-N 3.3Å; P250-H435 HydrophobicContact CB-CB 3.99Å; P250-Y436 CarbonylContact C-O 3.46Å; P250-Y436 VanDerWaalsContact CA-O 3.27Å; P250-Y436 WeakPolarHBondContact CA-O 3.31Å; P250-Y437 HydrophobicContact CB-CD1 4.34Å; P250-Y437 HydrophobicContact CB-CE1 3.67Å; P250-Y437 HydrophobicContact CG-CE1 4.36Å; P250-Y437 VanDerWaalsContact N-CE1 3.31Å; P250-L445 WeakPolarHBondContact O-CD2 3.38Å
251	I	96.4	Very high	94.6	Very high	7 Å²	7	16.6 Å²	16.6	4%	0.036	11%	0.11	C	C	.	.	S	Bend	trans	-75.2	-25.1	174.6	55.1	157.7	0	0	0	111.8	T249 L322 Y436 L438 M446	T249-I251 PolarHBondContact O-N 2.99Å; I251-L322 HydrophobicContact CD1-CD2 3.76Å; I251-Y436 WeakPolarHBondContact CG1-O 3.28Å; I251-Y436 PolarHBondContact N-O 3.22Å; I251-L438 HydrophobicContact CD1-CD1 3.84Å; I251-L438 HydrophobicContact CD1-CG 3.8Å; I251-M446 HydrophobicContact CD1-CE 3.99Å; I251-M446 HydrophobicContact CD1-SD 4.49Å; I251-M446 PolarHBondContact O-N 2.86Å
252	S	96.4	Very high	94.5	Very high	5 Å²	5	18.3 Å²	18.3	4%	0.035	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	158.9	171.2	-160.4	0	0	0	0	110.5	P250 Y436 M446 V451	P250-S252 VanDerWaalsContact C-N 3.3Å; S252-Y436 PolarHBondContact O-N 3.17Å; S252-M446 VanDerWaalsContact CB-O 3.31Å; S252-M446 WeakPolarHBondContact CB-O 3.15Å; S252-M446 PolarHBondContact OG-O 2.67Å; S252-V451 VanDerWaalsContact CB-CG2 3.46Å; S252-V451 WeakPolarHBondContact OG-CG2 3.44Å
253	S	96	Very high	94.4	Very high	39 Å²	39	17.6 Å²	17.6	27%	0.273	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	113	-179.2	-61.9	0	0	0	0	109.6	H435 P448	S253-H435 VanDerWaalsContact CB-ND1 3.33Å; S253-H435 WeakPolarHBondContact CB-ND1 3.39Å; S253-H435 PolarHBondContact OG-ND1 3.45Å; S253-P448 VanDerWaalsContact O-CG 3.25Å; S253-P448 WeakPolarHBondContact O-CG 3.4Å
254	C	96.3	Very high	94.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	139.5	-178.7	-54.7	0	0	0	0	110	L413 D414 S433 V434 Y436	C254-L413 HydrophobicContact CB-CB 4.18Å; C254-L413 HydrophobicContact CB-CD1 4.42Å; C254-L413 HydrophobicContact CB-CD2 4.34Å; C254-D414 VanDerWaalsContact C-OD1 3.3Å; C254-D414 WeakPolarHBondContact CA-OD1 3.42Å; C254-D414 VanDerWaalsContact CB-OD1 3.28Å; C254-D414 WeakPolarHBondContact CB-OD1 3.32Å; C254-S433 CarbonylContact O-C 3.54Å; C254-S433 VanDerWaalsContact O-CA 3.28Å; C254-S433 WeakPolarHBondContact O-CA 3.36Å; C254-V434 PolarHBondContact N-O 3.12Å; C254-V434 PolarHBondContact O-N 2.99Å; C254-Y436 HydrophobicContact CB-CE2 4.47Å
255	S	95.1	Very high	94.6	Very high	27 Å²	27	21.7 Å²	21.7	19%	0.189	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	143.4	173.5	-39.4	0	0	0	0	110.4	W257 L413 D414	S255-W257 VanDerWaalsContact O-CD1 3.32Å; S255-L413 WeakPolarHBondContact O-CA 3.2Å; S255-D414 WeakPolarHBondContact CB-OD2 3.17Å; S255-D414 PolarHBondContact N-OD1 3.26Å; S255-D414 PolarHBondContact N-OD2 2.96Å; S255-D414 VanDerWaalsContact N-OD2 3.08Å; S255-D414 PolarHBondContact O-N 3.24Å; S255-D414 VanDerWaalsContact O-N 3.15Å; S255-D414 PolarHBondContact OG-OD2 3.49Å
256	Q	93.9	Very high	94.8	Very high	42 Å²	42	21.1 Å²	21.1	20%	0.196	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	137.8	173.1	-169.9	176.3	-12.6	0	0	111	H258 L413 S430 K432	Q256-H258 PolarHBondContact NE2-CE1 2.82Å; Q256-H258 PolarHBondContact NE2-NE2 3.12Å; Q256-L413 HydrophobicContact CB-CD2 4.16Å; Q256-S430 PolarHBondContact O-N 2.92Å; Q256-K432 HydrophobicContact CB-CB 4.27Å; Q256-K432 WeakPolarHBondContact CB-O 3.04Å; Q256-K432 PolarHBondContact N-O 2.85Å
257	W	95.7	Very high	94.7	Very high	21 Å²	21	23.7 Å²	23.7	8%	0.08	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.8	178.6	-69.7	75.5	0	0	0	110.2	S255 C411 A412 M419 L422 E423 F427 T428 I429	S255-W257 VanDerWaalsContact O-CD1 3.32Å; W257-C411 VanDerWaalsContact O-CA 3.28Å; W257-C411 WeakPolarHBondContact O-CA 3.33Å; W257-A412 PolarHBondContact N-O 2.88Å; W257-A412 PolarHBondContact O-N 3.42Å; W257-M419 HydrophobicContact CZ2-CE 4.33Å; W257-M419 HydrophobicContact CZ2-SD 4.04Å; W257-L422 HydrophobicContact CB-CD1 4.36Å; W257-L422 HydrophobicContact CB-CD2 3.86Å; W257-L422 HydrophobicContact CD2-CB 4.36Å; W257-L422 HydrophobicContact CD2-CD1 3.98Å; W257-L422 HydrophobicContact CE3-CB 4.2Å; W257-L422 HydrophobicContact CG-CD1 3.82Å; W257-L422 HydrophobicContact CG-CD2 4.17Å; W257-L422 HydrophobicContact CG-CG 4.47Å; W257-E423 HydrophobicContact CH2-CG 4.16Å; W257-E423 HydrophobicContact CZ3-CG 4.26Å; W257-F427 HydrophobicContact CB-CB 4.12Å; W257-F427 HydrophobicContact CB-CD1 4.09Å; W257-F427 HydrophobicContact CE3-CB 3.86Å; W257-T428 WeakPolarHBondContact CA-O 3.39Å; W257-I429 HydrophobicContact CD2-CB 4.02Å; W257-I429 HydrophobicContact CD2-CG1 4.49Å; W257-I429 HydrophobicContact CE3-CB 4.16Å; W257-I429 VanDerWaalsContact CE3-N 3.28Å; W257-I429 HydrophobicContact CH2-CB 4.12Å; W257-I429 HydrophobicContact CZ2-CB 3.96Å; W257-I429 HydrophobicContact CZ2-CD1 4.08Å; W257-I429 HydrophobicContact CZ2-CG1 4.28Å; W257-I429 HydrophobicContact CZ3-CB 4.21Å
258	H	94.6	Very high	94.6	Very high	11 Å²	11	26.9 Å²	26.9	5%	0.051	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	140.4	-176.6	-57.6	-108.6	0	0	0	110.7	Q256 Y271 V409 F410 C411 F427 T428 S430	Q256-H258 PolarHBondContact NE2-CE1 2.82Å; Q256-H258 PolarHBondContact NE2-NE2 3.12Å; H258-Y271 AromaticContact ND1-CE1 3.71Å; H258-Y271 PolarHBondContact ND1-OH 3.24Å; H258-V409 HydrophobicContact CB-CG2 3.99Å; H258-F410 CarbonylContact C-O 3.59Å; H258-F410 WeakPolarHBondContact CA-O 3.38Å; H258-C411 PolarHBondContact ND1-SG 2.86Å; H258-C411 VanDerWaalsContact ND1-SG 3.45Å; H258-F427 CarbonylContact O-C 3.58Å; H258-F427 WeakPolarHBondContact O-CA 3.19Å; H258-T428 PolarHBondContact N-O 3.37Å; H258-T428 PolarHBondContact O-N 3.28Å; H258-T428 PolarHBondContact O-OG1 2.78Å; H258-S430 WeakPolarHBondContact CD2-CB 3.42Å; H258-S430 WeakPolarHBondContact NE2-CB 3.45Å; H258-S430 PolarHBondContact NE2-OG 2.69Å
259	R	96.4	Very high	94.5	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.011	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	106.1	176.3	177.8	70.7	-173.2	112.8	17.8	109.2	L261 N287 L399 V409 F410 L425 K426 F427	R259-L261 HydrophobicContact CG-CD2 4.48Å; R259-L261 PolarHBondContact O-N 3.45Å; R259-N287 PolarHBondContact NH1-OD1 2.87Å; R259-N287 PolarHBondContact NH2-O 3.15Å; R259-L399 HydrophobicContact CB-CD2 4.31Å; R259-L399 HydrophobicContact CG-CD1 3.92Å; R259-L399 HydrophobicContact CG-CD2 3.78Å; R259-L399 HydrophobicContact CG-CG 4.5Å; R259-V409 WeakPolarHBondContact O-CA 3.3Å; R259-F410 HydrophobicContact CB-CB 4.15Å; R259-F410 PolarHBondContact N-O 3.27Å; R259-F410 PolarHBondContact O-N 3.06Å; R259-L425 WeakPolarHBondContact CD-O 3.2Å; R259-L425 PolarHBondContact NE-O 3.47Å; R259-K426 VanDerWaalsContact CD-O 3.32Å; R259-K426 WeakPolarHBondContact CD-O 3.4Å; R259-K426 PolarHBondContact NH1-O 3.08Å; R259-F427 HydrophobicContact CB-CD1 3.56Å; R259-F427 HydrophobicContact CB-CD2 3.92Å; R259-F427 HydrophobicContact CB-CE1 3.45Å; R259-F427 VanDerWaalsContact CB-CE1 3.45Å; R259-F427 HydrophobicContact CB-CE2 3.82Å; R259-F427 HydrophobicContact CB-CG 3.79Å; R259-F427 HydrophobicContact CB-CZ 3.58Å; R259-F427 HydrophobicContact CG-CD2 4.26Å; R259-F427 HydrophobicContact CG-CE1 4.48Å; R259-F427 HydrophobicContact CG-CE2 4.04Å; R259-F427 HydrophobicContact CG-CZ 4.15Å
260	P	95.9	Very high	94.2	Very high	8 Å²	8	31.2 Å²	31.2	5%	0.052	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	122	177	-27.7	38	0	0	0	112.1	P263 L266 L274	P260-P263 HydrophobicContact CB-CG 4.16Å; P260-L266 HydrophobicContact CB-CD1 3.81Å; P260-L266 HydrophobicContact CG-CD1 4.37Å; P260-L274 HydrophobicContact CB-CD1 4.39Å; P260-L274 HydrophobicContact CG-CD1 3.75Å
261	L	97.3	Very high	93.8	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.026	16%	0.16	C	C	.	.	S	Bend	trans	-100.5	-33	173.2	-58.5	-179.6	0	0	0	111.4	R259 P263 L289 L399 A402 K403 F407 D408 F410	R259-L261 HydrophobicContact CG-CD2 4.48Å; R259-L261 PolarHBondContact O-N 3.45Å; L261-P263 WeakPolarHBondContact O-CD 3.04Å; L261-L289 HydrophobicContact CD2-CD1 3.66Å; L261-L399 HydrophobicContact CD2-CB 4.31Å; L261-L399 HydrophobicContact CD2-CD2 4.08Å; L261-A402 HydrophobicContact CD1-CB 3.86Å; L261-K403 HydrophobicContact CB-CB 4.46Å; L261-K403 HydrophobicContact CD2-CB 4.48Å; L261-F407 WeakPolarHBondContact CB-O 3.5Å; L261-F407 HydrophobicContact CD1-CB 3.77Å; L261-D408 WeakPolarHBondContact CA-O 3.41Å; L261-D408 WeakPolarHBondContact CB-O 3.2Å; L261-D408 PolarHBondContact N-O 3.31Å; L261-F410 HydrophobicContact CD1-CB 4.17Å; L261-F410 HydrophobicContact CG-CB 4.36Å
262	N	96.4	Very high	92.9	Very high	58 Å²	58	34.9 Å²	34.9	31%	0.31	18%	0.175	S	C	.	.	S	Bend	trans	-123.4	74	174.6	-170.1	-6.4	0	0	0	111.3	R264 K265 L266 D408	N262-R264 PolarHBondContact O-N 2.84Å; N262-R264 VanDerWaalsContact O-N 3.17Å; N262-K265 HydrophobicContact CB-CB 4.36Å; N262-K265 WeakPolarHBondContact ND2-CB 3.24Å; N262-K265 PolarHBondContact O-N 2.94Å; N262-K265 PolarHBondContact OD1-N 3.2Å; N262-L266 WeakPolarHBondContact O-CG 3.4Å; N262-L266 PolarHBondContact O-N 3.34Å; N262-L266 VanDerWaalsContact O-N 3.11Å; N262-D408 HydrophobicContact CB-CB 4.18Å; N262-D408 PolarHBondContact N-O 2.91Å; N262-D408 PolarHBondContact ND2-OD1 3.11Å
263	P	94.2	Very high	91.6	Very high	7 Å²	7	36.3 Å²	36.3	5%	0.045	19%	0.191	C	C	.	.	H	α-helix	trans	-57.7	-33.5	-175.4	-23.6	32	0	0	0	113.9	P260 L261 M267 A283 L284 N287	P260-P263 HydrophobicContact CB-CG 4.16Å; L261-P263 WeakPolarHBondContact O-CD 3.04Å; P263-M267 WeakPolarHBondContact O-CB 3.08Å; P263-M267 WeakPolarHBondContact O-CG 3.43Å; P263-M267 PolarHBondContact O-N 2.88Å; P263-A283 HydrophobicContact CB-CB 4.1Å; P263-L284 HydrophobicContact CB-CD2 4.39Å; P263-L284 HydrophobicContact CG-CD2 4.39Å; P263-N287 HydrophobicContact CG-CB 3.6Å; P263-N287 WeakPolarHBondContact CG-ND2 3.3Å
264	R	93.8	Very high	90.5	Very high	129 Å²	129	36.2 Å²	36.2	49%	0.487	19%	0.187	S	C	.	.	H	α-helix	trans	-59.4	-57	178.6	-179.9	179.8	-66.8	-155.6	0.2	110.7	N262 L266 M267 E268 L280	N262-R264 PolarHBondContact O-N 2.84Å; N262-R264 VanDerWaalsContact O-N 3.17Å; R264-L266 VanDerWaalsContact C-N 3.34Å; R264-L266 PolarHBondContact O-N 2.93Å; R264-M267 PolarHBondContact O-N 2.98Å; R264-E268 WeakPolarHBondContact CD-OE1 3.29Å; R264-E268 WeakPolarHBondContact CG-OE1 3.16Å; R264-E268 WeakPolarHBondContact O-CG 3.3Å; R264-E268 PolarHBondContact O-N 3.24Å; R264-L280 HydrophobicContact CB-CD1 3.86Å; R264-L280 HydrophobicContact CG-CD1 4.24Å; R264-L280 HydrophobicContact CG-CD2 4.25Å
265	K	94.9	Very high	89	Confident	33 Å²	33	43.4 Å²	43.4	14%	0.143	22%	0.218	C	C	.	.	H	α-helix	trans	-61.6	-44.1	-178.7	-173.4	-178.4	-175.2	-170.4	0	111.6	N262 M267 E268 V269 G375 L376 D408	N262-K265 HydrophobicContact CB-CB 4.36Å; N262-K265 WeakPolarHBondContact ND2-CB 3.24Å; N262-K265 PolarHBondContact O-N 2.94Å; N262-K265 PolarHBondContact OD1-N 3.2Å; K265-M267 VanDerWaalsContact C-N 3.31Å; K265-M267 PolarHBondContact O-N 2.65Å; K265-E268 PolarHBondContact O-N 3.03Å; K265-V269 WeakPolarHBondContact O-CG1 3.44Å; K265-V269 WeakPolarHBondContact O-CG2 3.43Å; K265-V269 PolarHBondContact O-N 3.41Å; K265-G375 WeakPolarHBondContact CE-O 3.48Å; K265-G375 PolarHBondContact NZ-O 2.87Å; K265-L376 HydrophobicContact CD-CD2 3.86Å; K265-L376 HydrophobicContact CG-CD2 4.02Å; K265-D408 WeakPolarHBondContact CD-OD1 3.27Å; K265-D408 IonicContact NZ-OD1 3.56Å; K265-D408 PolarHBondContact NZ-OD1 2.9Å; K265-D408 IonicContact NZ-OD2 2.96Å; K265-D408 PolarHBondContact NZ-OD2 2.97Å
266	L	92.6	Very high	87.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.5	-35.9	179.8	-65.2	175.4	0	0	0	112.9	P260 N262 R264 N270 Y271 L274 L376 D408 V409	P260-L266 HydrophobicContact CB-CD1 3.81Å; P260-L266 HydrophobicContact CG-CD1 4.37Å; N262-L266 WeakPolarHBondContact O-CG 3.4Å; N262-L266 PolarHBondContact O-N 3.34Å; N262-L266 VanDerWaalsContact O-N 3.11Å; R264-L266 VanDerWaalsContact C-N 3.34Å; R264-L266 PolarHBondContact O-N 2.93Å; L266-N270 PolarHBondContact O-N 2.83Å; L266-Y271 HydrophobicContact CD2-CD1 4.27Å; L266-Y271 HydrophobicContact CD2-CD2 3.88Å; L266-Y271 HydrophobicContact CD2-CG 3.72Å; L266-Y271 WeakPolarHBondContact O-CB 3.36Å; L266-Y271 PolarHBondContact O-N 2.83Å; L266-L274 HydrophobicContact CB-CD1 3.9Å; L266-L274 HydrophobicContact CD1-CD1 3.73Å; L266-L274 HydrophobicContact CG-CD1 4.44Å; L266-L376 HydrophobicContact CD2-CD2 4.15Å; L266-D408 WeakPolarHBondContact CD1-O 3.27Å; L266-D408 HydrophobicContact CD2-CB 4.15Å; L266-V409 HydrophobicContact CD1-CB 4.09Å; L266-V409 HydrophobicContact CD1-CG2 4.47Å; L266-V409 HydrophobicContact CD2-CB 4.28Å
267	M	91.2	Very high	86.4	Confident	53 Å²	53	53.4 Å²	53.4	26%	0.261	27%	0.267	S	S	.	.	H	α-helix	trans	-71.5	-43.6	174.2	-70.6	175.6	74.1	0	0	111.8	P263 R264 K265 V269 N270 L274 M278 L280 A283	P263-M267 WeakPolarHBondContact O-CB 3.08Å; P263-M267 WeakPolarHBondContact O-CG 3.43Å; P263-M267 PolarHBondContact O-N 2.88Å; R264-M267 PolarHBondContact O-N 2.98Å; K265-M267 VanDerWaalsContact C-N 3.31Å; K265-M267 PolarHBondContact O-N 2.65Å; M267-V269 VanDerWaalsContact C-N 3.3Å; M267-V269 PolarHBondContact O-N 2.94Å; M267-N270 PolarHBondContact O-N 2.8Å; M267-N270 VanDerWaalsContact O-N 3.14Å; M267-L274 HydrophobicContact CG-CD2 4Å; M267-M278 WeakPolarHBondContact CE-O 2.95Å; M267-L280 HydrophobicContact SD-CB 4.46Å; M267-L280 HydrophobicContact SD-CD1 3.98Å; M267-A283 HydrophobicContact SD-CB 3.98Å
268	E	91.1	Very high	85.7	Confident	86 Å²	86	55.6 Å²	55.6	40%	0.402	28%	0.279	S	S	.	.	H	α-helix	trans	-61.6	-36	179.9	-73.8	167.5	-177.4	0	0	112.5	R264 K265 H373	R264-E268 WeakPolarHBondContact CD-OE1 3.29Å; R264-E268 WeakPolarHBondContact CG-OE1 3.16Å; R264-E268 WeakPolarHBondContact O-CG 3.3Å; R264-E268 PolarHBondContact O-N 3.24Å; K265-E268 PolarHBondContact O-N 3.03Å; E268-H373 IonicContact OE2-CD2 3.92Å; E268-H373 IonicContact OE2-CE1 3.41Å; E268-H373 IonicContact OE2-NE2 2.89Å; E268-H373 PolarHBondContact OE2-NE2 3.39Å
269	V	89.2	Confident	85.5	Confident	9 Å²	9	60 Å²	60	6%	0.055	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	4.6	177.6	-54.3	0	0	0	0	114.1	I148 K265 M267 Y271 V367 H373 L376	I148-V269 HydrophobicContact CD1-CG2 4.46Å; K265-V269 WeakPolarHBondContact O-CG1 3.44Å; K265-V269 WeakPolarHBondContact O-CG2 3.43Å; K265-V269 PolarHBondContact O-N 3.41Å; M267-V269 VanDerWaalsContact C-N 3.3Å; M267-V269 PolarHBondContact O-N 2.94Å; V269-Y271 PolarHBondContact O-N 3.34Å; V269-V367 HydrophobicContact CB-CG1 4.36Å; V269-V367 HydrophobicContact CG1-CG1 4.03Å; V269-V367 HydrophobicContact CG1-CG2 4.2Å; V269-H373 HydrophobicContact CG1-CB 3.78Å; V269-L376 HydrophobicContact CG2-CD1 3.8Å; V269-L376 HydrophobicContact CG2-CD2 4.13Å; V269-L376 HydrophobicContact CG2-CG 4.46Å
270	N	85.9	Confident	85.2	Confident	105 Å²	105	62.5 Å²	62.5	56%	0.561	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	50.7	-174.9	-64	-59.2	0	0	0	113.3	L266 M267 Q276	L266-N270 PolarHBondContact O-N 2.83Å; M267-N270 PolarHBondContact O-N 2.8Å; M267-N270 VanDerWaalsContact O-N 3.14Å; N270-Q276 PolarHBondContact OD1-NE2 3.4Å
271	Y	85.9	Confident	85	Confident	39 Å²	39	69.8 Å²	69.8	15%	0.153	35%	0.349	C	S	.	.			trans	-55	128.6	-177.7	-174.6	-97.5	0	0	0	111.6	I148 H258 L266 V269 L274 L376 V409	I148-Y271 HydrophobicContact CD1-CD2 4.13Å; H258-Y271 AromaticContact ND1-CE1 3.71Å; H258-Y271 PolarHBondContact ND1-OH 3.24Å; L266-Y271 HydrophobicContact CD2-CD1 4.27Å; L266-Y271 HydrophobicContact CD2-CD2 3.88Å; L266-Y271 HydrophobicContact CD2-CG 3.72Å; L266-Y271 WeakPolarHBondContact O-CB 3.36Å; L266-Y271 PolarHBondContact O-N 2.83Å; V269-Y271 PolarHBondContact O-N 3.34Å; Y271-L274 HydrophobicContact CD1-CD1 4.43Å; Y271-L274 WeakPolarHBondContact O-CB 3.35Å; Y271-L274 PolarHBondContact O-N 2.97Å; Y271-L376 HydrophobicContact CD2-CD1 4.02Å; Y271-V409 HydrophobicContact CE1-CG2 4.46Å; Y271-V409 HydrophobicContact CE2-CG1 4.42Å
272	P	77.6	Confident	84.8	Confident	52 Å²	52	76.9 Å²	76.9	34%	0.338	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	141.7	-177.3	-27.2	34.2	0	0	0	113.4	L274	P272-L274 PolarHBondContact O-N 3.3Å
273	G	69.8	Low	84.5	Confident	36 Å²	36	74.5 Å²	74.5	37%	0.371	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	-3	177.3	0	0	0	0	0	115.3	K275	G273-K275 PolarHBondContact O-N 3.49Å
274	L	73.6	Confident	84.5	Confident	37 Å²	37	77.3 Å²	77.3	19%	0.194	38%	0.378	C	S	.	.			trans	-80.7	116.2	176	-148.2	120.6	0	0	0	110.3	P260 L266 M267 Y271 P272 Q276	P260-L274 HydrophobicContact CB-CD1 4.39Å; P260-L274 HydrophobicContact CG-CD1 3.75Å; L266-L274 HydrophobicContact CB-CD1 3.9Å; L266-L274 HydrophobicContact CD1-CD1 3.73Å; L266-L274 HydrophobicContact CG-CD1 4.44Å; M267-L274 HydrophobicContact CG-CD2 4Å; Y271-L274 HydrophobicContact CD1-CD1 4.43Å; Y271-L274 WeakPolarHBondContact O-CB 3.35Å; Y271-L274 PolarHBondContact O-N 2.97Å; P272-L274 PolarHBondContact O-N 3.3Å; L274-Q276 PolarHBondContact O-N 2.95Å; L274-Q276 VanDerWaalsContact O-N 3.12Å
275	K	64.6	Low	84.5	Confident	150 Å²	150	79.5 Å²	79.5	65%	0.652	39%	0.391	S	S	*	.			trans	-62.8	114.1	178.3	-67.6	-175.8	179.7	179.8	0	110.3	G273 N277	G273-K275 PolarHBondContact O-N 3.49Å; K275-N277 PolarHBondContact O-N 2.84Å
276	Q	64	Low	84.4	Confident	132 Å²	132	82 Å²	82	62%	0.617	40%	0.402	S	S	*	.			trans	-78.3	9.9	-178.1	-65.8	-171.5	-15	0	0	114.5	N270 L274 M278	N270-Q276 PolarHBondContact OD1-NE2 3.4Å; L274-Q276 PolarHBondContact O-N 2.95Å; L274-Q276 VanDerWaalsContact O-N 3.12Å; Q276-M278 PolarHBondContact O-N 2.8Å
277	N	69.5	Low	84.5	Confident	148 Å²	148	82.8 Å²	82.8	79%	0.791	41%	0.406	S	S	*	.			trans	-77.2	12	-173.3	-61.8	4.7	0	0	0	113.9	K275	K275-N277 PolarHBondContact O-N 2.84Å
278	M	82.1	Confident	84.7	Confident	67 Å²	67	88.9 Å²	88.9	33%	0.33	43%	0.426	S	S	.	.	S	Bend	trans	-131	139.8	179	-61.9	-166.9	-170.7	0	0	110.9	M267 Q276 R282	M267-M278 WeakPolarHBondContact CE-O 2.95Å; Q276-M278 PolarHBondContact O-N 2.8Å; M278-R282 HydrophobicContact CB-CB 4.48Å; M278-R282 HydrophobicContact CB-CG 4.47Å; M278-R282 HydrophobicContact CG-CG 4.48Å; M278-R282 HydrophobicContact SD-CG 3.97Å
279	N	89	Confident	85	Confident	104 Å²	104	85.4 Å²	85.4	56%	0.556	41%	0.41	S	S	*	.			trans	-68.9	161.8	168.6	70.6	28.2	0	0	0	111.3	Q281 R282 A283	N279-Q281 PolarHBondContact O-N 3.17Å; N279-Q281 PolarHBondContact OD1-N 2.84Å; N279-R282 PolarHBondContact O-N 3.14Å; N279-R282 WeakPolarHBondContact OD1-CB 3.04Å; N279-R282 PolarHBondContact OD1-N 3.03Å; N279-A283 PolarHBondContact O-N 2.97Å
280	L	90.5	Very high	85.3	Confident	55 Å²	55	87.4 Å²	87.4	29%	0.288	42%	0.423	S	S	.	.	H	α-helix	trans	-57.4	-43.7	-174.8	176.9	59.9	0	0	0	113.2	R264 M267 R282 A283 L284	R264-L280 HydrophobicContact CB-CD1 3.86Å; R264-L280 HydrophobicContact CG-CD1 4.24Å; R264-L280 HydrophobicContact CG-CD2 4.25Å; M267-L280 HydrophobicContact SD-CB 4.46Å; M267-L280 HydrophobicContact SD-CD1 3.98Å; L280-R282 PolarHBondContact O-N 3.38Å; L280-A283 PolarHBondContact O-N 2.99Å; L280-L284 HydrophobicContact CD1-CD1 4.03Å; L280-L284 HydrophobicContact CD1-CD2 4.46Å; L280-L284 HydrophobicContact CD1-CG 3.97Å; L280-L284 HydrophobicContact CG-CD1 3.95Å; L280-L284 HydrophobicContact CG-CG 4.34Å; L280-L284 VanDerWaalsContact O-CG 3.3Å; L280-L284 WeakPolarHBondContact O-CG 3.34Å; L280-L284 PolarHBondContact O-N 3.21Å
281	Q	92.1	Very high	85.5	Confident	160 Å²	160	90.5 Å²	90.5	75%	0.748	44%	0.435	S	S	*	.	H	α-helix	trans	-62.7	-43	-178.7	-69.6	-178.9	-13.2	0	0	111.9	N279 L284 K285	N279-Q281 PolarHBondContact O-N 3.17Å; N279-Q281 PolarHBondContact OD1-N 2.84Å; Q281-L284 PolarHBondContact O-N 3.01Å; Q281-K285 PolarHBondContact O-N 2.99Å
282	R	92.2	Very high	85.9	Confident	155 Å²	155	93.8 Å²	93.8	59%	0.585	46%	0.458	S	S	*	.	H	α-helix	trans	-64.3	-42.6	175.4	-174.2	177.3	-178.7	173.7	1.8	111	M278 N279 L280 K285 F286	M278-R282 HydrophobicContact CB-CB 4.48Å; M278-R282 HydrophobicContact CB-CG 4.47Å; M278-R282 HydrophobicContact CG-CG 4.48Å; M278-R282 HydrophobicContact SD-CG 3.97Å; N279-R282 PolarHBondContact O-N 3.14Å; N279-R282 WeakPolarHBondContact OD1-CB 3.04Å; N279-R282 PolarHBondContact OD1-N 3.03Å; L280-R282 PolarHBondContact O-N 3.38Å; R282-K285 PolarHBondContact O-N 2.98Å; R282-F286 VanDerWaalsContact O-CB 3.23Å; R282-F286 WeakPolarHBondContact O-CB 3.26Å; R282-F286 PolarHBondContact O-N 3.22Å
283	A	91.7	Very high	86.7	Confident	7 Å²	7	92.7 Å²	92.7	6%	0.058	45%	0.454	C	S	.	.	H	α-helix	trans	-62.2	-44.1	176.9	0	0	0	0	0	111.9	P263 M267 N279 L280 F286 N287	P263-A283 HydrophobicContact CB-CB 4.1Å; M267-A283 HydrophobicContact SD-CB 3.98Å; N279-A283 PolarHBondContact O-N 2.97Å; L280-A283 PolarHBondContact O-N 2.99Å; A283-F286 PolarHBondContact O-N 3.16Å; A283-N287 VanDerWaalsContact O-CB 3.32Å; A283-N287 WeakPolarHBondContact O-CB 3.29Å; A283-N287 PolarHBondContact O-N 2.89Å; A283-N287 PolarHBondContact O-ND2 3.2Å
284	L	93.4	Very high	87.9	Confident	67 Å²	67	98.9 Å²	98.9	35%	0.351	47%	0.471	S	S	.	.	H	α-helix	trans	-61.9	-44.9	176.6	-71.1	171.1	0	0	0	111.9	P263 L280 Q281 R288	P263-L284 HydrophobicContact CB-CD2 4.39Å; P263-L284 HydrophobicContact CG-CD2 4.39Å; L280-L284 HydrophobicContact CD1-CD1 4.03Å; L280-L284 HydrophobicContact CD1-CD2 4.46Å; L280-L284 HydrophobicContact CD1-CG 3.97Å; L280-L284 HydrophobicContact CG-CD1 3.95Å; L280-L284 HydrophobicContact CG-CG 4.34Å; L280-L284 VanDerWaalsContact O-CG 3.3Å; L280-L284 WeakPolarHBondContact O-CG 3.34Å; L280-L284 PolarHBondContact O-N 3.21Å; Q281-L284 PolarHBondContact O-N 3.01Å; L284-R288 PolarHBondContact O-N 3.4Å
285	K	94.2	Very high	89	Confident	174 Å²	174	98.5 Å²	98.5	76%	0.757	47%	0.469	S	S	*	.	H	α-helix	trans	-65.6	-45.2	177.6	-173.2	178.2	-179.5	179.5	0	111.9	Q281 R282 N287 R288	Q281-K285 PolarHBondContact O-N 2.99Å; R282-K285 PolarHBondContact O-N 2.98Å; K285-N287 VanDerWaalsContact C-N 3.35Å; K285-N287 PolarHBondContact O-N 3.44Å; K285-R288 PolarHBondContact O-N 2.9Å
286	F	92.6	Very high	90.5	Very high	86 Å²	86	98.4 Å²	98.4	38%	0.377	47%	0.468	S	S	.	.	H	α-helix	trans	-63.1	-41.6	-178.6	-179.3	-100.7	0	0	0	112	R282 A283 K426	R282-F286 VanDerWaalsContact O-CB 3.23Å; R282-F286 WeakPolarHBondContact O-CB 3.26Å; R282-F286 PolarHBondContact O-N 3.22Å; A283-F286 PolarHBondContact O-N 3.16Å; F286-K426 HydrophobicContact CD1-CD 4.37Å; F286-K426 HydrophobicContact CE1-CB 3.86Å; F286-K426 HydrophobicContact CE1-CD 3.96Å; F286-K426 HydrophobicContact CE1-CG 4.16Å; F286-K426 HydrophobicContact CE2-CD 4.22Å; F286-K426 HydrophobicContact CE2-CG 4.5Å; F286-K426 HydrophobicContact CZ-CB 3.96Å; F286-K426 HydrophobicContact CZ-CD 3.88Å; F286-K426 HydrophobicContact CZ-CG 3.86Å; F286-K426 WeakPolarHBondContact O-CD 3.36Å; F286-K426 PolarHBondContact O-NZ 3.2Å
287	N	94.1	Very high	92	Very high	16 Å²	16	93.6 Å²	93.6	9%	0.086	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	3.4	-175.9	-63.7	-60.8	0	0	0	114.1	R259 P263 A283 K285 L289	R259-N287 PolarHBondContact NH1-OD1 2.87Å; R259-N287 PolarHBondContact NH2-O 3.15Å; P263-N287 HydrophobicContact CG-CB 3.6Å; P263-N287 WeakPolarHBondContact CG-ND2 3.3Å; A283-N287 VanDerWaalsContact O-CB 3.32Å; A283-N287 WeakPolarHBondContact O-CB 3.29Å; A283-N287 PolarHBondContact O-N 2.89Å; A283-N287 PolarHBondContact O-ND2 3.2Å; K285-N287 VanDerWaalsContact C-N 3.35Å; K285-N287 PolarHBondContact O-N 3.44Å; N287-L289 PolarHBondContact O-N 2.93Å
288	R	95.6	Very high	93.3	Very high	182 Å²	182	88.1 Å²	88.1	69%	0.687	43%	0.425	S	S	*	.			trans	-57.2	136.6	-179.5	-170	175	-177.6	174	1.7	111	L284 K285	L284-R288 PolarHBondContact O-N 3.4Å; K285-R288 PolarHBondContact O-N 2.9Å
289	L	96.6	Very high	94.1	Very high	12 Å²	12	88 Å²	88	6%	0.063	42%	0.421	C	S	.	.			trans	-116	159.7	174.7	-66.3	172.1	0	0	0	109.1	L261 N287 L399 V400 K403	L261-L289 HydrophobicContact CD2-CD1 3.66Å; N287-L289 PolarHBondContact O-N 2.93Å; L289-L399 HydrophobicContact CD1-CB 3.84Å; L289-L399 HydrophobicContact CD2-CB 4.16Å; L289-L399 HydrophobicContact CD2-CD1 4.35Å; L289-V400 HydrophobicContact CB-CG2 4.24Å; L289-K403 HydrophobicContact CB-CD 4.48Å; L289-K403 HydrophobicContact CD1-CB 4.26Å; L289-K403 HydrophobicContact CD1-CD 4Å
290	P	95.4	Very high	94.5	Very high	51 Å²	51	86.5 Å²	86.5	33%	0.331	42%	0.417	S	S	.	.			trans	-55.1	162.3	165.3	-22.1	33.6	0	0	0	112.4	V400	P290-V400 HydrophobicContact CB-CG2 4.13Å; P290-V400 HydrophobicContact CG-CG2 4.26Å
291	E	90.9	Very high	94.8	Very high	170 Å²	170	84.2 Å²	84.2	79%	0.794	41%	0.405	S	S	*	.	S	Bend	trans	-85.2	-29.4	178.4	-68.1	-179.4	-176.3	0	0	112.7
292	V	93.4	Very high	95.1	Very high	108 Å²	108	79.8 Å²	79.8	66%	0.655	39%	0.389	S	S	*	.	S	Bend	trans	-133.3	142	-175.3	-171	0	0	0	0	109.2
293	A	94.7	Very high	95.3	Very high	30 Å²	30	79.2 Å²	79.2	25%	0.248	39%	0.393	C	S	.	.			trans	-64.1	146.9	171.1	0	0	0	0	0	110.4	L298 D397	A293-L298 HydrophobicContact CB-CD2 3.99Å; A293-D397 HydrophobicContact CB-CB 3.96Å; A293-D397 WeakPolarHBondContact CB-OD2 3.4Å
294	K	94.9	Very high	95.6	Very high	166 Å²	166	82.5 Å²	82.5	72%	0.722	42%	0.419	S	S	*	.			trans	-107.7	-22.4	-173.1	-61.9	-177.7	-177.5	179.1	0	113.6	K296 D397	K294-K296 PolarHBondContact O-N 3.38Å; K294-D397 VanDerWaalsContact N-CG 3.34Å; K294-D397 PolarHBondContact N-OD1 2.81Å; K294-D397 PolarHBondContact N-OD2 3.09Å
295	I	96.4	Very high	95.8	Very high	29 Å²	29	79.3 Å²	79.3	15%	0.149	40%	0.403	C	S	.	.			trans	-66.8	119.5	-174.9	-65	162.3	0	0	0	109.6	L298 V347 T389 L394 D397	I295-L298 HydrophobicContact CB-CB 4.07Å; I295-L298 HydrophobicContact CB-CD2 4.44Å; I295-L298 HydrophobicContact CG2-CB 4.07Å; I295-L298 WeakPolarHBondContact O-CB 3.32Å; I295-L298 PolarHBondContact O-N 2.89Å; I295-V347 HydrophobicContact CG2-CB 4.48Å; I295-V347 HydrophobicContact CG2-CG1 3.79Å; I295-V347 HydrophobicContact CG2-CG2 3.79Å; I295-T389 HydrophobicContact CD1-CG2 3.58Å; I295-T389 HydrophobicContact CG1-CG2 3.66Å; I295-T389 HydrophobicContact CG2-CG2 4.19Å; I295-L394 HydrophobicContact CD1-CB 4.43Å; I295-L394 HydrophobicContact CD1-CD1 4.26Å; I295-D397 WeakPolarHBondContact CB-OD2 2.85Å; I295-D397 HydrophobicContact CD1-CB 3.89Å; I295-D397 WeakPolarHBondContact CD1-OD2 3.21Å; I295-D397 WeakPolarHBondContact CG1-OD2 3.41Å; I295-D397 PolarHBondContact N-OD2 3.34Å
296	K	96.1	Very high	96	Very high	147 Å²	147	71 Å²	71	64%	0.639	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	136.3	174.1	-170.8	-173.1	179.6	-163.8	0	109.4	K294 L298 D350	K294-K296 PolarHBondContact O-N 3.38Å; K296-L298 PolarHBondContact O-N 2.86Å; K296-D350 WeakPolarHBondContact CE-OD1 3.43Å; K296-D350 IonicContact NZ-OD1 3.61Å; K296-D350 PolarHBondContact NZ-OD1 2.64Å; K296-D350 IonicContact NZ-OD2 2.82Å; K296-D350 PolarHBondContact NZ-OD2 3.06Å
297	G	95.9	Very high	96.2	Very high	32 Å²	32	70.2 Å²	70.2	33%	0.33	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	0.3	179.9	0	0	0	0	0	114.5	R299 E348	G297-R299 PolarHBondContact O-N 2.8Å; G297-E348 WeakPolarHBondContact CA-O 3.42Å; G297-E348 PolarHBondContact O-N 3.15Å; G297-E348 VanDerWaalsContact O-N 3.13Å
298	L	97.8	Very high	96.3	Very high	33 Å²	33	73.7 Å²	73.7	17%	0.173	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	117.7	171.9	-177.3	66	0	0	0	110	A293 I295 K296 V346 V347 D397 L401	A293-L298 HydrophobicContact CB-CD2 3.99Å; I295-L298 HydrophobicContact CB-CB 4.07Å; I295-L298 HydrophobicContact CB-CD2 4.44Å; I295-L298 HydrophobicContact CG2-CB 4.07Å; I295-L298 WeakPolarHBondContact O-CB 3.32Å; I295-L298 PolarHBondContact O-N 2.89Å; K296-L298 PolarHBondContact O-N 2.86Å; L298-V346 WeakPolarHBondContact CA-O 3.39Å; L298-V347 HydrophobicContact CB-CG2 4.47Å; L298-V347 HydrophobicContact CD1-CG2 3.86Å; L298-D397 HydrophobicContact CD2-CB 4.01Å; L298-L401 HydrophobicContact CD2-CD1 3.76Å; L298-L401 HydrophobicContact CG-CD1 4.38Å
299	R	97.4	Very high	96.4	Very high	63 Å²	63	65 Å²	65	24%	0.238	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	160.2	179.9	60.8	172.5	-179.2	73.2	-2.4	111.4	G297 D305 Y345 V346 E348	G297-R299 PolarHBondContact O-N 2.8Å; R299-D305 IonicContact CZ-OD1 3.78Å; R299-D305 IonicContact CZ-OD2 3.9Å; R299-D305 IonicContact NH1-OD1 2.69Å; R299-D305 IonicContact NH1-OD2 3.67Å; R299-D305 PolarHBondContact NH1-OD2 3.09Å; R299-D305 IonicContact NH2-OD1 2.94Å; R299-D305 PolarHBondContact NH2-OD1 2.76Å; R299-D305 IonicContact NH2-OD2 2.69Å; R299-D305 PolarHBondContact NH2-OD2 3.35Å; R299-Y345 CarbonylContact O-C 3.57Å; R299-Y345 VanDerWaalsContact O-CA 3.28Å; R299-Y345 WeakPolarHBondContact O-CA 3.32Å; R299-V346 HydrophobicContact CG-CG2 3.92Å; R299-V346 PolarHBondContact N-O 3.3Å; R299-V346 PolarHBondContact O-N 3.02Å; R299-E348 IonicContact CZ-OE2 2.69Å; R299-E348 VanDerWaalsContact CZ-OE2 3.3Å; R299-E348 IonicContact NE-OE2 3.77Å; R299-E348 PolarHBondContact NE-OE2 3.28Å; R299-E348 IonicContact NH2-OE1 3.6Å; R299-E348 IonicContact NH2-OE2 2.83Å; R299-E348 PolarHBondContact NH2-OE2 2.77Å
300	P	98	Very high	96.5	Very high	73 Å²	73	65.7 Å²	65.7	47%	0.474	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	146.1	169.2	-23.2	34.1	0	0	0	111.7	Y345	P300-Y345 HydrophobicContact CG-CD1 4.3Å; P300-Y345 HydrophobicContact CG-CE1 3.99Å
301	M	97.8	Very high	96.6	Very high	8 Å²	8	66.8 Å²	66.8	4%	0.039	36%	0.362	C	S	.	.			trans	-63.8	145	169.7	173.6	-176.2	174	0	0	110.7	D305 A306 I309 V331 F335 L336 P337 T344 V346	M301-D305 HydrophobicContact CG-CB 4.19Å; M301-A306 HydrophobicContact CE-CB 3.95Å; M301-I309 HydrophobicContact CB-CD1 4.39Å; M301-I309 HydrophobicContact CE-CD1 3.57Å; M301-I309 HydrophobicContact CG-CD1 3.59Å; M301-I309 HydrophobicContact SD-CD1 3.3Å; M301-I309 WeakPolarHBondContact SD-CD1 3.38Å; M301-V331 HydrophobicContact CE-CG1 4.38Å; M301-F335 HydrophobicContact CE-CB 4.12Å; M301-F335 VanDerWaalsContact SD-C 3.54Å; M301-F335 HydrophobicContact SD-CB 3.61Å; M301-L336 HydrophobicContact CE-CD2 3.82Å; M301-L336 HydrophobicContact CE-CG 4.15Å; M301-L336 HydrophobicContact SD-CD2 4.5Å; M301-P337 HydrophobicContact CB-CG 4.28Å; M301-T344 HydrophobicContact CB-CG2 3.97Å; M301-T344 PolarHBondContact N-O 3.32Å; M301-T344 HydrophobicContact SD-CG2 3.86Å; M301-V346 HydrophobicContact CB-CG1 4.21Å
302	T	97.8	Very high	96.8	Very high	66 Å²	66	59.3 Å²	59.3	41%	0.405	33%	0.327	S	S	.	.			trans	-120.6	167.5	169.5	66.8	0	0	0	0	110.6	A304 D305	T302-A304 PolarHBondContact O-N 2.97Å; T302-D305 PolarHBondContact N-OD2 3.22Å; T302-D305 WeakPolarHBondContact O-CB 3.1Å; T302-D305 PolarHBondContact O-N 3.42Å; T302-D305 PolarHBondContact OG1-OD2 3.36Å
303	E	97.1	Very high	97	Very high	144 Å²	144	54.2 Å²	54.2	67%	0.673	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-55.3	-38.6	175.6	-67.2	178.2	-174.9	0	0	112.7	D305 A306 L336	E303-D305 PolarHBondContact O-N 3.16Å; E303-D305 VanDerWaalsContact O-N 3.1Å; E303-A306 WeakPolarHBondContact O-CB 3.37Å; E303-A306 PolarHBondContact O-N 3.09Å; E303-L336 HydrophobicContact CB-CD2 4.38Å; E303-L336 HydrophobicContact CG-CD1 3.87Å; E303-L336 HydrophobicContact CG-CD2 3.76Å
304	A	96.9	Very high	97	Very high	75 Å²	75	57.9 Å²	57.9	62%	0.62	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-63.3	-18.2	178.1	0	0	0	0	0	113.6	T302	T302-A304 PolarHBondContact O-N 2.97Å
305	D	97.9	Very high	97.1	Very high	1 Å²	1	57 Å²	57	1%	0.005	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-84.3	-17.2	178	-57.2	-53.3	0	0	0	112.9	R299 M301 T302 E303 R308 I309 L354	R299-D305 IonicContact CZ-OD1 3.78Å; R299-D305 IonicContact CZ-OD2 3.9Å; R299-D305 IonicContact NH1-OD1 2.69Å; R299-D305 IonicContact NH1-OD2 3.67Å; R299-D305 PolarHBondContact NH1-OD2 3.09Å; R299-D305 IonicContact NH2-OD1 2.94Å; R299-D305 PolarHBondContact NH2-OD1 2.76Å; R299-D305 IonicContact NH2-OD2 2.69Å; R299-D305 PolarHBondContact NH2-OD2 3.35Å; M301-D305 HydrophobicContact CG-CB 4.19Å; T302-D305 PolarHBondContact N-OD2 3.22Å; T302-D305 WeakPolarHBondContact O-CB 3.1Å; T302-D305 PolarHBondContact O-N 3.42Å; T302-D305 PolarHBondContact OG1-OD2 3.36Å; E303-D305 PolarHBondContact O-N 3.16Å; E303-D305 VanDerWaalsContact O-N 3.1Å; D305-R308 PolarHBondContact O-N 2.66Å; D305-R308 IonicContact OD1-CZ 2.67Å; D305-R308 IonicContact OD1-NE 2.75Å; D305-R308 IonicContact OD1-NH2 3.81Å; D305-R308 PolarHBondContact OD1-NH2 3.41Å; D305-I309 HydrophobicContact CB-CD1 3.87Å; D305-I309 HydrophobicContact CB-CG1 4.49Å; D305-I309 WeakPolarHBondContact O-CB 3.29Å; D305-I309 PolarHBondContact O-N 3.16Å; D305-L354 HydrophobicContact CB-CD1 4.15Å
306	A	97.8	Very high	97	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-56.1	-44.4	-171.4	0	0	0	0	0	113.8	M301 E303 R308 I309 L310 L328 V331 E332	M301-A306 HydrophobicContact CE-CB 3.95Å; E303-A306 WeakPolarHBondContact O-CB 3.37Å; E303-A306 PolarHBondContact O-N 3.09Å; A306-R308 PolarHBondContact O-N 3.07Å; A306-I309 PolarHBondContact O-N 2.99Å; A306-L310 WeakPolarHBondContact O-CB 3.19Å; A306-L310 PolarHBondContact O-N 3.19Å; A306-L328 HydrophobicContact CB-CD1 3.8Å; A306-V331 HydrophobicContact CB-CG1 4.07Å; A306-E332 HydrophobicContact CB-CG 3.79Å
307	P	97.7	Very high	97	Very high	68 Å²	68	49.9 Å²	49.9	44%	0.442	27%	0.274	S	S	.	.	H	α-helix	trans	-64	-39	175.9	-22.6	34.5	0	0	0	113.1	L310 S311 L328	P307-L310 PolarHBondContact O-N 2.92Å; P307-S311 PolarHBondContact O-N 2.69Å; P307-S311 PolarHBondContact O-OG 3.11Å; P307-L328 HydrophobicContact CB-CD1 4.46Å; P307-L328 HydrophobicContact CG-CD1 4.02Å
308	R	97.1	Very high	97	Very high	90 Å²	90	52.6 Å²	52.6	34%	0.34	29%	0.287	S	S	.	.	H	α-helix	trans	-68.4	-39.7	179.1	-65.7	-171.3	-74.6	179.7	-2.9	111.2	D305 A306 L312 E348 G352 L354	D305-R308 PolarHBondContact O-N 2.66Å; D305-R308 IonicContact OD1-CZ 2.67Å; D305-R308 IonicContact OD1-NE 2.75Å; D305-R308 IonicContact OD1-NH2 3.81Å; D305-R308 PolarHBondContact OD1-NH2 3.41Å; A306-R308 PolarHBondContact O-N 3.07Å; R308-L312 WeakPolarHBondContact O-CB 3.06Å; R308-L312 PolarHBondContact O-N 3.03Å; R308-E348 IonicContact CZ-OE1 3.53Å; R308-E348 IonicContact NH1-OE1 2.79Å; R308-E348 PolarHBondContact NH1-OE1 3.34Å; R308-E348 IonicContact NH2-OE1 3.79Å; R308-G352 PolarHBondContact NH1-O 3.3Å; R308-L354 HydrophobicContact CB-CB 4.34Å; R308-L354 HydrophobicContact CB-CD1 4.18Å
309	I	97.4	Very high	96.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.5	-43.3	174.1	-80.4	164.8	0	0	0	111.3	M301 D305 A306 S311 L312 L313 V331 V346 L354 M357	M301-I309 HydrophobicContact CB-CD1 4.39Å; M301-I309 HydrophobicContact CE-CD1 3.57Å; M301-I309 HydrophobicContact CG-CD1 3.59Å; M301-I309 HydrophobicContact SD-CD1 3.3Å; M301-I309 WeakPolarHBondContact SD-CD1 3.38Å; D305-I309 HydrophobicContact CB-CD1 3.87Å; D305-I309 HydrophobicContact CB-CG1 4.49Å; D305-I309 WeakPolarHBondContact O-CB 3.29Å; D305-I309 PolarHBondContact O-N 3.16Å; A306-I309 PolarHBondContact O-N 2.99Å; I309-S311 VanDerWaalsContact C-N 3.34Å; I309-S311 PolarHBondContact O-N 3.17Å; I309-L312 PolarHBondContact O-N 2.81Å; I309-L313 HydrophobicContact CG2-CD1 3.61Å; I309-L313 HydrophobicContact CG2-CG 4.22Å; I309-L313 WeakPolarHBondContact O-CB 3.36Å; I309-L313 WeakPolarHBondContact O-CG 3.4Å; I309-L313 PolarHBondContact O-N 2.99Å; I309-V331 HydrophobicContact CB-CG1 4.27Å; I309-V331 HydrophobicContact CG2-CG1 3.6Å; I309-V346 HydrophobicContact CD1-CG1 3.74Å; I309-V346 HydrophobicContact CG1-CG1 4.17Å; I309-L354 HydrophobicContact CG1-CD1 3.96Å; I309-M357 HydrophobicContact CB-CE 4.32Å; I309-M357 HydrophobicContact CB-SD 4.38Å; I309-M357 HydrophobicContact CD1-CE 3.88Å; I309-M357 HydrophobicContact CD1-SD 4.5Å; I309-M357 HydrophobicContact CG1-CE 4.05Å; I309-M357 HydrophobicContact CG1-SD 4.09Å; I309-M357 HydrophobicContact CG2-CE 3.33Å; I309-M357 HydrophobicContact CG2-SD 3.57Å; I309-M357 VanDerWaalsContact CG2-SD 3.57Å
310	L	97.8	Very high	96.9	Very high	25 Å²	25	53 Å²	53	13%	0.131	29%	0.294	C	S	.	.	H	α-helix	trans	-56.5	-50.8	177.9	176.9	57.9	0	0	0	110.5	A306 P307 L312 L313 E314 L326 L328 V331	A306-L310 WeakPolarHBondContact O-CB 3.19Å; A306-L310 PolarHBondContact O-N 3.19Å; P307-L310 PolarHBondContact O-N 2.92Å; L310-L312 VanDerWaalsContact C-N 3.32Å; L310-L312 PolarHBondContact O-N 3.08Å; L310-L313 PolarHBondContact O-N 3.35Å; L310-E314 HydrophobicContact CD1-CG 4.03Å; L310-E314 HydrophobicContact CG-CG 4.45Å; L310-E314 WeakPolarHBondContact O-CB 3.24Å; L310-E314 WeakPolarHBondContact O-CG 3.34Å; L310-E314 PolarHBondContact O-N 2.84Å; L310-L326 HydrophobicContact CD1-CB 4.18Å; L310-L326 VanDerWaalsContact CD1-O 3.24Å; L310-L326 WeakPolarHBondContact CD1-O 3.49Å; L310-L328 HydrophobicContact CD2-CB 4.33Å; L310-V331 HydrophobicContact CB-CG2 4.06Å; L310-V331 HydrophobicContact CD1-CG2 3.77Å; L310-V331 HydrophobicContact CG-CG2 4.45Å
311	S	96.8	Very high	96.9	Very high	74 Å²	74	52.6 Å²	52.6	52%	0.517	29%	0.286	S	S	.	.	H	α-helix	trans	-61.7	-38	177.4	-58	0	0	0	0	113.1	P307 I309 K315	P307-S311 PolarHBondContact O-N 2.69Å; P307-S311 PolarHBondContact O-OG 3.11Å; I309-S311 VanDerWaalsContact C-N 3.34Å; I309-S311 PolarHBondContact O-N 3.17Å; S311-K315 PolarHBondContact O-N 3.13Å
312	L	96.3	Very high	96.9	Very high	14 Å²	14	52.2 Å²	52.2	7%	0.073	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-45.2	176.3	178.3	62.5	0	0	0	111.6	R308 I309 L310 N316 L354 M357 V385 N387	R308-L312 WeakPolarHBondContact O-CB 3.06Å; R308-L312 PolarHBondContact O-N 3.03Å; I309-L312 PolarHBondContact O-N 2.81Å; L310-L312 VanDerWaalsContact C-N 3.32Å; L310-L312 PolarHBondContact O-N 3.08Å; L312-N316 PolarHBondContact O-N 3.37Å; L312-N316 VanDerWaalsContact O-N 3.16Å; L312-L354 HydrophobicContact CD2-CD2 3.4Å; L312-M357 HydrophobicContact CD2-CB 3.89Å; L312-V385 HydrophobicContact CD1-CG1 3.72Å; L312-V385 HydrophobicContact CD2-CB 4.32Å; L312-V385 HydrophobicContact CD2-CG1 4.16Å; L312-V385 HydrophobicContact CG-CB 4.3Å; L312-V385 HydrophobicContact CG-CG1 3.74Å; L312-N387 WeakPolarHBondContact CD1-ND2 3.28Å
313	L	96.5	Very high	96.9	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-48.2	177.5	-76.8	168.7	0	0	0	110.9	I309 L310 K315 N316 L317 L326 V331 F335 M357 Y383 V385	I309-L313 HydrophobicContact CG2-CD1 3.61Å; I309-L313 HydrophobicContact CG2-CG 4.22Å; I309-L313 WeakPolarHBondContact O-CB 3.36Å; I309-L313 WeakPolarHBondContact O-CG 3.4Å; I309-L313 PolarHBondContact O-N 2.99Å; L310-L313 PolarHBondContact O-N 3.35Å; L313-K315 VanDerWaalsContact C-N 3.3Å; L313-K315 PolarHBondContact O-N 3.49Å; L313-N316 PolarHBondContact O-N 3.17Å; L313-N316 VanDerWaalsContact O-N 3.07Å; L313-L317 HydrophobicContact CB-CD1 4.16Å; L313-L317 WeakPolarHBondContact O-CB 3.44Å; L313-L317 WeakPolarHBondContact O-CG 3.48Å; L313-L317 PolarHBondContact O-N 2.85Å; L313-L326 HydrophobicContact CD1-CD1 4.02Å; L313-V331 HydrophobicContact CD1-CG2 4.37Å; L313-F335 HydrophobicContact CD1-CD2 4.15Å; L313-F335 HydrophobicContact CD1-CE2 3.54Å; L313-F335 HydrophobicContact CD1-CZ 3.87Å; L313-M357 HydrophobicContact CD1-CE 4.42Å; L313-M357 HydrophobicContact CD1-SD 4.19Å; L313-M357 HydrophobicContact CD2-SD 4.19Å; L313-M357 HydrophobicContact CG-SD 4.11Å; L313-Y383 HydrophobicContact CD2-CD1 4.39Å; L313-Y383 HydrophobicContact CD2-CG 4.28Å; L313-V385 HydrophobicContact CD2-CG2 3.85Å
314	E	95.9	Very high	96.9	Very high	107 Å²	107	42.9 Å²	42.9	50%	0.5	24%	0.237	S	C	.	.	H	α-helix	trans	-55.1	-45.1	179.6	-75.5	177.5	150.2	0	0	112.1	L310 N316 S318	L310-E314 HydrophobicContact CD1-CG 4.03Å; L310-E314 HydrophobicContact CG-CG 4.45Å; L310-E314 WeakPolarHBondContact O-CB 3.24Å; L310-E314 WeakPolarHBondContact O-CG 3.34Å; L310-E314 PolarHBondContact O-N 2.84Å; E314-N316 PolarHBondContact O-N 3.34Å; E314-S318 PolarHBondContact O-N 2.72Å
315	K	95.7	Very high	96.9	Very high	147 Å²	147	42 Å²	42	64%	0.639	22%	0.221	S	C	*	.	H	α-helix	trans	-64.8	-38.1	177.2	-177	-179.5	176.6	-174.4	0	112.7	S311 L313 S318	S311-K315 PolarHBondContact O-N 3.13Å; L313-K315 VanDerWaalsContact C-N 3.3Å; L313-K315 PolarHBondContact O-N 3.49Å; K315-S318 PolarHBondContact O-OG 2.69Å
316	N	95.4	Very high	96.9	Very high	19 Å²	19	43 Å²	43	10%	0.102	23%	0.227	C	C	.	.	H	α-helix	trans	-74.8	-43.4	179	-173.8	67.7	0	0	0	111.5	L312 L313 E314 S318 N319 F320 V385	L312-N316 PolarHBondContact O-N 3.37Å; L312-N316 VanDerWaalsContact O-N 3.16Å; L313-N316 PolarHBondContact O-N 3.17Å; L313-N316 VanDerWaalsContact O-N 3.07Å; E314-N316 PolarHBondContact O-N 3.34Å; N316-S318 PolarHBondContact O-N 2.85Å; N316-N319 WeakPolarHBondContact O-CB 3.07Å; N316-N319 PolarHBondContact O-N 3.39Å; N316-N319 PolarHBondContact O-ND2 2.92Å; N316-F320 VanDerWaalsContact O-CE2 3.3Å; N316-F320 WeakPolarHBondContact O-CE2 3.22Å; N316-V385 HydrophobicContact CB-CG1 3.7Å; N316-V385 HydrophobicContact CB-CG2 4.1Å
317	L	95.9	Very high	96.9	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-69.2	-21.1	-173.7	-70.2	176.8	0	0	0	113.2	L313 N319 F320 S323 P324 L326 Y383 S452	L313-L317 HydrophobicContact CB-CD1 4.16Å; L313-L317 WeakPolarHBondContact O-CB 3.44Å; L313-L317 WeakPolarHBondContact O-CG 3.48Å; L313-L317 PolarHBondContact O-N 2.85Å; L317-N319 PolarHBondContact O-N 3.35Å; L317-F320 HydrophobicContact CD2-CD2 4.4Å; L317-F320 PolarHBondContact O-N 2.96Å; L317-S323 WeakPolarHBondContact O-CB 3.47Å; L317-S323 PolarHBondContact O-OG 3.42Å; L317-P324 HydrophobicContact CD1-CG 3.98Å; L317-L326 HydrophobicContact CD1-CD1 4.48Å; L317-Y383 HydrophobicContact CD2-CD1 4.38Å; L317-Y383 HydrophobicContact CD2-CE1 3.76Å; L317-S452 WeakPolarHBondContact CD2-OG 3.15Å
318	S	95.4	Very high	96.9	Very high	88 Å²	88	45.2 Å²	45.2	62%	0.615	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-11.7	173.6	62.7	0	0	0	0	114.3	E314 K315 N316 F320	E314-S318 PolarHBondContact O-N 2.72Å; K315-S318 PolarHBondContact O-OG 2.69Å; N316-S318 PolarHBondContact O-N 2.85Å; S318-F320 VanDerWaalsContact C-N 3.31Å
319	N	95.6	Very high	96.9	Very high	94 Å²	94	46.4 Å²	46.4	50%	0.503	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-7.3	179.3	-61	-36.4	0	0	0	113.6	N316 L317	N316-N319 WeakPolarHBondContact O-CB 3.07Å; N316-N319 PolarHBondContact O-N 3.39Å; N316-N319 PolarHBondContact O-ND2 2.92Å; L317-N319 PolarHBondContact O-N 3.35Å
320	F	97.5	Very high	97	Very high	10 Å²	10	46.9 Å²	46.9	4%	0.044	25%	0.249	C	C	.	.	S	Bend	trans	-112.5	152.9	-173.2	-54.4	-70.5	0	0	0	111.5	N316 L317 S318 M416 D449 K450 S452	N316-F320 VanDerWaalsContact O-CE2 3.3Å; N316-F320 WeakPolarHBondContact O-CE2 3.22Å; L317-F320 HydrophobicContact CD2-CD2 4.4Å; L317-F320 PolarHBondContact O-N 2.96Å; S318-F320 VanDerWaalsContact C-N 3.31Å; F320-M416 HydrophobicContact CD1-CG 4.48Å; F320-M416 HydrophobicContact CE1-CB 3.83Å; F320-M416 HydrophobicContact CE1-CG 4.04Å; F320-M416 HydrophobicContact CE2-CG 4.32Å; F320-M416 HydrophobicContact CZ-CB 3.8Å; F320-M416 HydrophobicContact CZ-CG 3.95Å; F320-D449 WeakPolarHBondContact CD1-O 3.38Å; F320-D449 VanDerWaalsContact CE1-O 3.29Å; F320-D449 WeakPolarHBondContact CE1-O 3.38Å; F320-K450 WeakPolarHBondContact CB-O 3.25Å; F320-S452 VanDerWaalsContact CD2-CB 3.42Å
321	H	98	Very high	97	Very high	65 Å²	65	45.7 Å²	45.7	30%	0.301	24%	0.243	S	C	.	.	S	Bend	trans	-86.4	-22.1	179.4	-59.4	164.2	0	0	0	112.7	I195 Y196 M446 K450	I195-H321 CarbonylContact C-O 3.35Å; I195-H321 WeakPolarHBondContact CA-O 3.42Å; Y196-H321 HydrophobicContact CD1-CB 4.02Å; Y196-H321 AromaticContact CD1-CG 3.79Å; Y196-H321 AromaticContact CD1-ND1 3.9Å; Y196-H321 HydrophobicContact CD2-CB 4.42Å; Y196-H321 HydrophobicContact CE1-CB 4.04Å; Y196-H321 AromaticContact CE1-CE1 3.88Å; Y196-H321 AromaticContact CE1-CG 3.7Å; Y196-H321 AromaticContact CE1-ND1 3.35Å; Y196-H321 WeakPolarHBondContact CE1-ND1 3.49Å; Y196-H321 HydrophobicContact CE2-CB 4.44Å; Y196-H321 HydrophobicContact CG-CB 4.22Å; Y196-H321 AromaticContact CZ-ND1 3.92Å; Y196-H321 PolarHBondContact N-O 2.83Å; H321-M446 HydrophobicContact CB-CE 4.3Å; H321-M446 HydrophobicContact CB-SD 4.2Å; H321-K450 HydrophobicContact CB-CB 4.13Å; H321-K450 PolarHBondContact N-O 3.29Å
322	L	98.2	Very high	97	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	106.9	171.1	-177.5	66.7	0	0	0	108.8	V193 C194 I195 I251 Y436 M446 K450 V451 S452 L453	V193-L322 HydrophobicContact CG1-CD1 3.5Å; V193-L322 VanDerWaalsContact CG1-CD1 3.5Å; C194-L322 WeakPolarHBondContact O-CA 3.07Å; I195-L322 HydrophobicContact CG1-CD1 4.02Å; I251-L322 HydrophobicContact CD1-CD2 3.76Å; L322-Y436 HydrophobicContact CD2-CD1 4.34Å; L322-M446 HydrophobicContact CB-CE 4.13Å; L322-M446 HydrophobicContact CB-SD 3.53Å; L322-M446 VanDerWaalsContact CB-SD 3.53Å; L322-M446 HydrophobicContact CD2-SD 4.49Å; L322-K450 PolarHBondContact N-O 3.1Å; L322-K450 VanDerWaalsContact N-O 3.08Å; L322-V451 HydrophobicContact CD2-CG1 4.12Å; L322-S452 PolarHBondContact O-N 3.46Å; L322-S452 PolarHBondContact O-OG 3.26Å; L322-L453 HydrophobicContact CD2-CB 4.32Å; L322-L453 HydrophobicContact CD2-CD2 4.4Å; L322-L453 HydrophobicContact CG-CB 4.07Å; L322-L453 HydrophobicContact CG-CD2 4.41Å; L322-L453 PolarHBondContact O-N 3.3Å
323	S	97.8	Very high	97.1	Very high	5 Å²	5	46.3 Å²	46.3	4%	0.035	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	146.9	-176.4	57.9	0	0	0	0	112.2	V193 C194 L317 S452	V193-S323 CarbonylContact C-O 3.5Å; V193-S323 WeakPolarHBondContact CA-O 3.43Å; V193-S323 WeakPolarHBondContact CG1-O 3.22Å; C194-S323 WeakPolarHBondContact CB-OG 3.22Å; C194-S323 PolarHBondContact N-O 2.86Å; C194-S323 PolarHBondContact O-N 3.41Å; C194-S323 VanDerWaalsContact O-N 3.09Å; L317-S323 WeakPolarHBondContact O-CB 3.47Å; L317-S323 PolarHBondContact O-OG 3.42Å; S323-S452 VanDerWaalsContact CA-OG 3.22Å; S323-S452 WeakPolarHBondContact CA-OG 3.47Å; S323-S452 WeakPolarHBondContact CB-OG 3.4Å
324	P	97.4	Very high	97.2	Very high	10 Å²	10	47.5 Å²	47.5	7%	0.065	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	148.7	170.3	32	-33.7	0	0	0	110.5	L317 L326 Y383 L453	L317-P324 HydrophobicContact CD1-CG 3.98Å; P324-L326 HydrophobicContact CB-CD2 3.98Å; P324-L326 HydrophobicContact CB-CG 4.16Å; P324-L326 HydrophobicContact CG-CD1 4.48Å; P324-L326 HydrophobicContact CG-CD2 4.39Å; P324-L326 HydrophobicContact CG-CG 4.27Å; P324-Y383 WeakPolarHBondContact CG-OH 3.45Å; P324-L453 HydrophobicContact CB-CD1 3.88Å; P324-L453 HydrophobicContact CG-CD1 4.23Å
325	L	97.5	Very high	97.3	Very high	55 Å²	55	42.5 Å²	42.5	29%	0.288	22%	0.219	S	C	.	.			trans	-103.8	108.4	165.4	-58.9	171.2	0	0	0	106.3	D192 C194 K199	D192-L325 HydrophobicContact CB-CB 3.76Å; D192-L325 HydrophobicContact CB-CD1 4.31Å; D192-L325 PolarHBondContact O-N 2.74Å; C194-L325 HydrophobicContact CB-CD2 4.09Å; C194-L325 HydrophobicContact CB-CG 4.3Å; K199-L325 HydrophobicContact CB-CD1 3.76Å; K199-L325 HydrophobicContact CD-CD1 3.92Å; K199-L325 HydrophobicContact CG-CD1 3.74Å
326	L	97.3	Very high	97.4	Very high	24 Å²	24	37 Å²	37	13%	0.126	20%	0.196	C	C	.	.			trans	-98.8	137.6	-171.8	-61.3	171.1	0	0	0	110.6	L310 L313 L317 P324 E330 V331 F335	L310-L326 HydrophobicContact CD1-CB 4.18Å; L310-L326 VanDerWaalsContact CD1-O 3.24Å; L310-L326 WeakPolarHBondContact CD1-O 3.49Å; L313-L326 HydrophobicContact CD1-CD1 4.02Å; L317-L326 HydrophobicContact CD1-CD1 4.48Å; P324-L326 HydrophobicContact CB-CD2 3.98Å; P324-L326 HydrophobicContact CB-CG 4.16Å; P324-L326 HydrophobicContact CG-CD1 4.48Å; P324-L326 HydrophobicContact CG-CD2 4.39Å; P324-L326 HydrophobicContact CG-CG 4.27Å; L326-E330 HydrophobicContact CD2-CB 4.14Å; L326-V331 HydrophobicContact CB-CG2 4.06Å; L326-V331 HydrophobicContact CD1-CG2 4.28Å; L326-F335 HydrophobicContact CD1-CE2 3.92Å; L326-F335 HydrophobicContact CD1-CZ 4.43Å
327	S	97.4	Very high	97.5	Very high	44 Å²	44	38.4 Å²	38.4	31%	0.308	21%	0.206	S	C	.	.			trans	-84.9	166.8	163.1	63.6	0	0	0	0	111.2	Q329 E330 V331	S327-Q329 VanDerWaalsContact C-N 3.3Å; S327-Q329 PolarHBondContact O-N 3Å; S327-E330 WeakPolarHBondContact CB-OE2 3.2Å; S327-E330 PolarHBondContact N-OE2 3.38Å; S327-E330 PolarHBondContact O-N 3.25Å; S327-E330 VanDerWaalsContact O-N 3.16Å; S327-E330 WeakPolarHBondContact OG-CG 3.14Å; S327-E330 PolarHBondContact OG-N 2.94Å; S327-E330 PolarHBondContact OG-OE2 2.87Å; S327-V331 PolarHBondContact O-N 2.81Å
328	L	98	Very high	97.5	Very high	69 Å²	69	42 Å²	42	36%	0.361	22%	0.221	S	C	.	.	H	α-helix	trans	-58.2	-42	175	-177.1	62.5	0	0	0	112.2	A306 P307 L310 E330 V331 E332	A306-L328 HydrophobicContact CB-CD1 3.8Å; P307-L328 HydrophobicContact CB-CD1 4.46Å; P307-L328 HydrophobicContact CG-CD1 4.02Å; L310-L328 HydrophobicContact CD2-CB 4.33Å; L328-E330 VanDerWaalsContact C-N 3.3Å; L328-E330 PolarHBondContact O-N 2.92Å; L328-V331 WeakPolarHBondContact O-CB 3.29Å; L328-V331 PolarHBondContact O-N 3.43Å; L328-V331 VanDerWaalsContact O-N 3.16Å; L328-E332 WeakPolarHBondContact O-CG 3.48Å; L328-E332 PolarHBondContact O-N 3.18Å
329	Q	98	Very high	97.4	Very high	115 Å²	115	45.6 Å²	45.6	54%	0.537	23%	0.229	S	C	.	.	H	α-helix	trans	-63.4	-36.6	177.6	-67	180	1.8	0	0	112.1	P164 S327 H333	P164-Q329 HydrophobicContact CB-CB 4.14Å; P164-Q329 HydrophobicContact CG-CB 3.83Å; S327-Q329 VanDerWaalsContact C-N 3.3Å; S327-Q329 PolarHBondContact O-N 3Å; Q329-H333 VanDerWaalsContact O-CB 3.3Å; Q329-H333 WeakPolarHBondContact O-CB 3.38Å; Q329-H333 PolarHBondContact O-N 2.85Å
330	E	97.8	Very high	97.1	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-70.4	-37.9	175.3	-74.2	164.7	129.2	0	0	111.1	P164 L326 S327 L328 E332 H333 W334	P164-E330 HydrophobicContact CB-CG 4.29Å; P164-E330 HydrophobicContact CG-CG 4Å; L326-E330 HydrophobicContact CD2-CB 4.14Å; S327-E330 WeakPolarHBondContact CB-OE2 3.2Å; S327-E330 PolarHBondContact N-OE2 3.38Å; S327-E330 PolarHBondContact O-N 3.25Å; S327-E330 VanDerWaalsContact O-N 3.16Å; S327-E330 WeakPolarHBondContact OG-CG 3.14Å; S327-E330 PolarHBondContact OG-N 2.94Å; S327-E330 PolarHBondContact OG-OE2 2.87Å; L328-E330 VanDerWaalsContact C-N 3.3Å; L328-E330 PolarHBondContact O-N 2.92Å; E330-E332 VanDerWaalsContact C-N 3.35Å; E330-H333 PolarHBondContact O-N 2.71Å; E330-W334 WeakPolarHBondContact O-CB 3.12Å; E330-W334 PolarHBondContact O-N 3.17Å
331	V	98.2	Very high	97.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-47.3	173.8	167.7	0	0	0	0	110.6	M301 A306 I309 L310 L313 L326 S327 L328 H333 F335	M301-V331 HydrophobicContact CE-CG1 4.38Å; A306-V331 HydrophobicContact CB-CG1 4.07Å; I309-V331 HydrophobicContact CB-CG1 4.27Å; I309-V331 HydrophobicContact CG2-CG1 3.6Å; L310-V331 HydrophobicContact CB-CG2 4.06Å; L310-V331 HydrophobicContact CD1-CG2 3.77Å; L310-V331 HydrophobicContact CG-CG2 4.45Å; L313-V331 HydrophobicContact CD1-CG2 4.37Å; L326-V331 HydrophobicContact CB-CG2 4.06Å; L326-V331 HydrophobicContact CD1-CG2 4.28Å; S327-V331 PolarHBondContact O-N 2.81Å; L328-V331 WeakPolarHBondContact O-CB 3.29Å; L328-V331 PolarHBondContact O-N 3.43Å; L328-V331 VanDerWaalsContact O-N 3.16Å; V331-H333 PolarHBondContact O-N 2.93Å; V331-F335 HydrophobicContact CB-CD2 4.25Å; V331-F335 HydrophobicContact CG1-CD2 4Å; V331-F335 HydrophobicContact CG2-CD2 4.4Å; V331-F335 HydrophobicContact CG2-CE2 4.48Å; V331-F335 VanDerWaalsContact O-CB 3.27Å; V331-F335 WeakPolarHBondContact O-CB 3.38Å; V331-F335 VanDerWaalsContact O-CD2 3.3Å; V331-F335 WeakPolarHBondContact O-CD2 3.37Å; V331-F335 PolarHBondContact O-N 2.87Å
332	E	98.1	Very high	97.1	Very high	69 Å²	69	41.3 Å²	41.3	32%	0.322	21%	0.208	S	C	.	.	H	α-helix	trans	-59	-48	175.4	-71.5	171.7	170.5	0	0	111.4	A306 L328 E330 W334 L336	A306-E332 HydrophobicContact CB-CG 3.79Å; L328-E332 WeakPolarHBondContact O-CG 3.48Å; L328-E332 PolarHBondContact O-N 3.18Å; E330-E332 VanDerWaalsContact C-N 3.35Å; E332-W334 PolarHBondContact O-N 2.87Å; E332-L336 HydrophobicContact CB-CD1 3.74Å; E332-L336 HydrophobicContact CB-CG 4.38Å; E332-L336 HydrophobicContact CG-CD1 4.11Å; E332-L336 WeakPolarHBondContact O-CB 3.42Å; E332-L336 WeakPolarHBondContact O-CD1 3.47Å; E332-L336 VanDerWaalsContact O-CG 3.26Å; E332-L336 WeakPolarHBondContact O-CG 3.22Å; E332-L336 PolarHBondContact O-N 2.84Å
333	H	97.8	Very high	97.1	Very high	32 Å²	32	41.9 Å²	41.9	15%	0.148	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-45	-178.2	179.1	82.7	0	0	0	113.4	W159 Q162 P163 P164 Q329 E330 V331	W159-H333 AromaticContact CD1-NE2 3.83Å; W159-H333 VanDerWaalsContact CD1-O 3.3Å; W159-H333 PolarHBondContact NE1-O 3.36Å; W159-H333 PolarHBondContact O-CE1 3.3Å; W159-H333 PolarHBondContact O-NE2 3.12Å; Q162-H333 PolarHBondContact O-CE1 2.86Å; Q162-H333 VanDerWaalsContact O-CE1 3.29Å; P163-H333 WeakPolarHBondContact CA-NE2 3.32Å; P164-H333 HydrophobicContact CG-CB 4.15Å; Q329-H333 VanDerWaalsContact O-CB 3.3Å; Q329-H333 WeakPolarHBondContact O-CB 3.38Å; Q329-H333 PolarHBondContact O-N 2.85Å; E330-H333 PolarHBondContact O-N 2.71Å; V331-H333 PolarHBondContact O-N 2.93Å
334	W	97.8	Very high	97.2	Very high	26 Å²	26	41.7 Å²	41.7	10%	0.098	21%	0.21	C	C	.	.	H	α-helix	trans	-84.2	-27.7	-173.7	-66.1	123	0	0	0	113.8	W159 P163 E330 E332 N342	W159-W334 HydrophobicContact CD2-CE3 4.19Å; W159-W334 HydrophobicContact CD2-CZ3 4.04Å; W159-W334 AromaticContact CE2-CE3 3.52Å; W159-W334 AromaticContact CE2-CZ3 3.86Å; W159-W334 HydrophobicContact CE3-CZ3 4.34Å; W159-W334 HydrophobicContact CH2-CE3 4.16Å; W159-W334 HydrophobicContact CH2-CZ3 4.34Å; W159-W334 AromaticContact CZ2-CE3 3.53Å; W159-W334 HydrophobicContact CZ2-CE3 3.53Å; W159-W334 HydrophobicContact CZ2-CZ3 4.05Å; W159-W334 HydrophobicContact CZ3-CZ3 4.48Å; W159-W334 AromaticContact NE1-CE3 3.71Å; W159-W334 VanDerWaalsContact O-CZ3 3.31Å; W159-W334 WeakPolarHBondContact O-CZ3 3.28Å; P163-W334 HydrophobicContact CB-CH2 4.09Å; P163-W334 HydrophobicContact CB-CZ2 3.49Å; P163-W334 VanDerWaalsContact CB-CZ2 3.49Å; P163-W334 HydrophobicContact CG-CH2 4.42Å; P163-W334 HydrophobicContact CG-CZ2 4.01Å; E330-W334 WeakPolarHBondContact O-CB 3.12Å; E330-W334 PolarHBondContact O-N 3.17Å; E332-W334 PolarHBondContact O-N 2.87Å; W334-N342 PolarHBondContact O-ND2 3.42Å
335	F	98.1	Very high	97.2	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.009	21%	0.21	C	C	.	.	H	α-helix	trans	-118.3	-16.3	-169.9	-58.7	-68.4	0	0	0	115.2	M301 L313 L326 V331 P337 T344 M357 L382 Y383	M301-F335 HydrophobicContact CE-CB 4.12Å; M301-F335 VanDerWaalsContact SD-C 3.54Å; M301-F335 HydrophobicContact SD-CB 3.61Å; L313-F335 HydrophobicContact CD1-CD2 4.15Å; L313-F335 HydrophobicContact CD1-CE2 3.54Å; L313-F335 HydrophobicContact CD1-CZ 3.87Å; L326-F335 HydrophobicContact CD1-CE2 3.92Å; L326-F335 HydrophobicContact CD1-CZ 4.43Å; V331-F335 HydrophobicContact CB-CD2 4.25Å; V331-F335 HydrophobicContact CG1-CD2 4Å; V331-F335 HydrophobicContact CG2-CD2 4.4Å; V331-F335 HydrophobicContact CG2-CE2 4.48Å; V331-F335 VanDerWaalsContact O-CB 3.27Å; V331-F335 WeakPolarHBondContact O-CB 3.38Å; V331-F335 VanDerWaalsContact O-CD2 3.3Å; V331-F335 WeakPolarHBondContact O-CD2 3.37Å; V331-F335 PolarHBondContact O-N 2.87Å; F335-P337 VanDerWaalsContact O-CD 3.31Å; F335-P337 WeakPolarHBondContact O-CD 3.25Å; F335-T344 HydrophobicContact CB-CG2 4.2Å; F335-T344 HydrophobicContact CD1-CG2 4.5Å; F335-T344 WeakPolarHBondContact O-CB 3.32Å; F335-T344 PolarHBondContact O-OG1 2.89Å; F335-M357 HydrophobicContact CB-CE 3.85Å; F335-M357 HydrophobicContact CD1-CE 3.52Å; F335-M357 HydrophobicContact CD2-CE 4.14Å; F335-M357 HydrophobicContact CE1-CE 4.05Å; F335-M357 HydrophobicContact CG-CE 3.57Å; F335-L382 HydrophobicContact CD1-CD2 4.08Å; F335-L382 HydrophobicContact CE1-CD2 3.61Å; F335-L382 HydrophobicContact CE1-CG 4.29Å; F335-L382 HydrophobicContact CZ-CD2 4.38Å; F335-Y383 AromaticContact CE1-CD2 3.58Å; F335-Y383 HydrophobicContact CE1-CD2 3.58Å; F335-Y383 HydrophobicContact CE1-CE2 4.28Å; F335-Y383 HydrophobicContact CE1-CG 4.43Å; F335-Y383 AromaticContact CZ-CD2 3.51Å; F335-Y383 HydrophobicContact CZ-CD2 3.51Å; F335-Y383 AromaticContact CZ-CE2 3.84Å; F335-Y383 HydrophobicContact CZ-CE2 3.84Å; F335-Y383 HydrophobicContact CZ-CG 4.44Å
336	L	98	Very high	97.2	Very high	31 Å²	31	39.2 Å²	39.2	16%	0.162	20%	0.196	C	C	.	.	S	Bend	trans	-62.8	126.1	171.8	-73.9	169.5	0	0	0	109.4	M301 E303 E332 K338 N342	M301-L336 HydrophobicContact CE-CD2 3.82Å; M301-L336 HydrophobicContact CE-CG 4.15Å; M301-L336 HydrophobicContact SD-CD2 4.5Å; E303-L336 HydrophobicContact CB-CD2 4.38Å; E303-L336 HydrophobicContact CG-CD1 3.87Å; E303-L336 HydrophobicContact CG-CD2 3.76Å; E332-L336 HydrophobicContact CB-CD1 3.74Å; E332-L336 HydrophobicContact CB-CG 4.38Å; E332-L336 HydrophobicContact CG-CD1 4.11Å; E332-L336 WeakPolarHBondContact O-CB 3.42Å; E332-L336 WeakPolarHBondContact O-CD1 3.47Å; E332-L336 VanDerWaalsContact O-CG 3.26Å; E332-L336 WeakPolarHBondContact O-CG 3.22Å; E332-L336 PolarHBondContact O-N 2.84Å; L336-K338 PolarHBondContact O-N 3.05Å; L336-N342 PolarHBondContact O-ND2 2.9Å; L336-N342 PolarHBondContact O-OD1 2.81Å; L336-N342 VanDerWaalsContact O-OD1 3.13Å
337	P	97.7	Very high	97.3	Very high	50 Å²	50	38.4 Å²	38.4	33%	0.325	19%	0.192	S	C	.	.			trans	-61	122.7	-176.8	-24.8	34.6	0	0	0	111.4	M301 F335	M301-P337 HydrophobicContact CB-CG 4.28Å; F335-P337 VanDerWaalsContact O-CD 3.31Å; F335-P337 WeakPolarHBondContact O-CD 3.25Å
338	K	96.4	Very high	97.2	Very high	82 Å²	82	38.7 Å²	38.7	36%	0.357	19%	0.188	S	C	.	.	B	Isolated β-bridge	trans	-119	124.2	173.9	-68.3	174	-176.5	172.5	0	108.2	L336 N340 V341 N342	L336-K338 PolarHBondContact O-N 3.05Å; K338-N340 PolarHBondContact O-N 3.43Å; K338-V341 HydrophobicContact CB-CB 3.92Å; K338-V341 HydrophobicContact CB-CG2 4.39Å; K338-V341 PolarHBondContact O-N 2.81Å; K338-N342 WeakPolarHBondContact CB-OD1 2.9Å; K338-N342 PolarHBondContact N-O 3.5Å; K338-N342 PolarHBondContact N-OD1 2.79Å; K338-N342 PolarHBondContact O-N 2.95Å
339	E	93.2	Very high	97.1	Very high	165 Å²	165	37.1 Å²	37.1	77%	0.771	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	131.2	-177.1	-160.1	-165.9	150.4	0	0	111	V341	E339-V341 PolarHBondContact O-N 3.03Å
340	N	89.9	Confident	96.8	Very high	76 Å²	76	38.1 Å²	38.1	41%	0.406	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	7.5	-179.3	-53.2	-57	0	0	0	115.9	K338 T362	K338-N340 PolarHBondContact O-N 3.43Å; N340-T362 VanDerWaalsContact O-CB 3.31Å; N340-T362 WeakPolarHBondContact O-CB 3.47Å
341	V	96.7	Very high	96.5	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.012	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-60.5	176.4	176.6	0	0	0	0	110.5	E155 Y156 W159 K338 E339 Y361 T362	E155-V341 HydrophobicContact CB-CG2 3.67Å; Y156-V341 HydrophobicContact CD2-CG1 4.35Å; W159-V341 HydrophobicContact CB-CG1 3.73Å; W159-V341 HydrophobicContact CD2-CG1 3.48Å; W159-V341 VanDerWaalsContact CD2-CG1 3.48Å; W159-V341 HydrophobicContact CE3-CG1 3.77Å; W159-V341 HydrophobicContact CG-CG1 3.49Å; W159-V341 VanDerWaalsContact CG-CG1 3.49Å; K338-V341 HydrophobicContact CB-CB 3.92Å; K338-V341 HydrophobicContact CB-CG2 4.39Å; K338-V341 PolarHBondContact O-N 2.81Å; E339-V341 PolarHBondContact O-N 3.03Å; V341-Y361 CarbonylContact O-C 3.59Å; V341-Y361 VanDerWaalsContact O-CA 3.3Å; V341-Y361 WeakPolarHBondContact O-CA 3.39Å; V341-Y361 WeakPolarHBondContact O-CB 3.36Å; V341-T362 PolarHBondContact O-N 3.09Å
342	N	97.8	Very high	96.2	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.1	-179	69.8	-32.5	0	0	0	111.6	W159 W334 L336 K338 F360	W159-N342 HydrophobicContact CZ2-CB 4.18Å; W334-N342 PolarHBondContact O-ND2 3.42Å; L336-N342 PolarHBondContact O-ND2 2.9Å; L336-N342 PolarHBondContact O-OD1 2.81Å; L336-N342 VanDerWaalsContact O-OD1 3.13Å; K338-N342 WeakPolarHBondContact CB-OD1 2.9Å; K338-N342 PolarHBondContact N-O 3.5Å; K338-N342 PolarHBondContact N-OD1 2.79Å; K338-N342 PolarHBondContact O-N 2.95Å; N342-F360 WeakPolarHBondContact CA-O 3.22Å
343	D	98.4	Very high	95.9	Very high	12 Å²	12	45.2 Å²	45.2	6%	0.064	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	131.1	176.6	-74.1	-65.1	0	0	0	108.7	Y345 S359 F360 K405	D343-Y345 HydrophobicContact CB-CE2 4.02Å; D343-S359 CarbonylContact O-C 3.6Å; D343-S359 VanDerWaalsContact O-CA 3.28Å; D343-S359 WeakPolarHBondContact O-CA 3.37Å; D343-S359 PolarHBondContact O-OG 2.98Å; D343-F360 HydrophobicContact CB-CD1 4.42Å; D343-F360 HydrophobicContact CB-CD2 4.03Å; D343-F360 HydrophobicContact CB-CE1 3.91Å; D343-F360 HydrophobicContact CB-CE2 3.48Å; D343-F360 VanDerWaalsContact CB-CE2 3.48Å; D343-F360 HydrophobicContact CB-CG 4.48Å; D343-F360 HydrophobicContact CB-CZ 3.41Å; D343-F360 VanDerWaalsContact CB-CZ 3.41Å; D343-F360 PolarHBondContact N-O 2.79Å; D343-F360 PolarHBondContact O-N 2.99Å; D343-F360 WeakPolarHBondContact OD2-CE2 3.24Å; D343-K405 IonicContact OD1-NZ 2.77Å; D343-K405 PolarHBondContact OD1-NZ 3.45Å; D343-K405 IonicContact OD2-NZ 3.3Å
344	T	98.7	Very high	95.8	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.1	179	-53.3	0	0	0	0	110	M301 F335 M357 V358 S359	M301-T344 HydrophobicContact CB-CG2 3.97Å; M301-T344 PolarHBondContact N-O 3.32Å; M301-T344 HydrophobicContact SD-CG2 3.86Å; F335-T344 HydrophobicContact CB-CG2 4.2Å; F335-T344 HydrophobicContact CD1-CG2 4.5Å; F335-T344 WeakPolarHBondContact O-CB 3.32Å; F335-T344 PolarHBondContact O-OG1 2.89Å; T344-M357 HydrophobicContact CG2-CE 3.48Å; T344-M357 VanDerWaalsContact CG2-CE 3.48Å; T344-M357 HydrophobicContact CG2-CG 4.23Å; T344-V358 CarbonylContact C-O 3.57Å; T344-V358 WeakPolarHBondContact CA-O 3.08Å; T344-S359 WeakPolarHBondContact OG1-CB 3.45Å; T344-S359 PolarHBondContact OG1-OG 3.41Å
345	Y	98.5	Very high	95.8	Very high	14 Å²	14	44.4 Å²	44.4	6%	0.055	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	147.2	-178.8	-63.4	-95.1	0	0	0	109.6	R299 P300 D343 M357 V358 F360 L401 K405	R299-Y345 CarbonylContact O-C 3.57Å; R299-Y345 VanDerWaalsContact O-CA 3.28Å; R299-Y345 WeakPolarHBondContact O-CA 3.32Å; P300-Y345 HydrophobicContact CG-CD1 4.3Å; P300-Y345 HydrophobicContact CG-CE1 3.99Å; D343-Y345 HydrophobicContact CB-CE2 4.02Å; Y345-M357 WeakPolarHBondContact O-CA 3.47Å; Y345-V358 PolarHBondContact N-O 3.48Å; Y345-V358 PolarHBondContact O-N 2.87Å; Y345-F360 HydrophobicContact CD2-CE1 4.26Å; Y345-F360 AromaticContact CE2-CE1 4Å; Y345-F360 HydrophobicContact CE2-CE1 4Å; Y345-F360 HydrophobicContact CE2-CZ 4.15Å; Y345-L401 HydrophobicContact CD1-CD1 3.73Å; Y345-L401 HydrophobicContact CD2-CD1 4.06Å; Y345-L401 HydrophobicContact CE1-CD1 3.7Å; Y345-L401 HydrophobicContact CE1-CD2 4.2Å; Y345-L401 HydrophobicContact CE1-CG 4.47Å; Y345-L401 HydrophobicContact CE2-CB 4.49Å; Y345-L401 HydrophobicContact CE2-CD1 4.02Å; Y345-L401 HydrophobicContact CG-CD1 3.92Å; Y345-K405 WeakPolarHBondContact OH-CE 3.46Å; Y345-K405 PolarHBondContact OH-NZ 2.88Å
346	V	98.4	Very high	95.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	152.9	179.2	-61.2	0	0	0	0	109.2	L298 R299 M301 I309 L354 D356	L298-V346 WeakPolarHBondContact CA-O 3.39Å; R299-V346 HydrophobicContact CG-CG2 3.92Å; R299-V346 PolarHBondContact N-O 3.3Å; R299-V346 PolarHBondContact O-N 3.02Å; M301-V346 HydrophobicContact CB-CG1 4.21Å; I309-V346 HydrophobicContact CD1-CG1 3.74Å; I309-V346 HydrophobicContact CG1-CG1 4.17Å; V346-L354 HydrophobicContact CB-CD1 3.85Å; V346-L354 HydrophobicContact CB-CD2 4.42Å; V346-L354 HydrophobicContact CB-CG 4.05Å; V346-L354 HydrophobicContact CG1-CD1 3.75Å; V346-L354 HydrophobicContact CG1-CD2 4.47Å; V346-L354 HydrophobicContact CG1-CG 4.35Å; V346-L354 HydrophobicContact CG2-CD1 4.34Å; V346-D356 WeakPolarHBondContact CA-O 3.46Å
347	V	98.2	Very high	95.7	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.036	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.7	170.3	-177.2	0	0	0	0	107.9	I295 L298 L354 T355 D356 L394	I295-V347 HydrophobicContact CG2-CB 4.48Å; I295-V347 HydrophobicContact CG2-CG1 3.79Å; I295-V347 HydrophobicContact CG2-CG2 3.79Å; L298-V347 HydrophobicContact CB-CG2 4.47Å; L298-V347 HydrophobicContact CD1-CG2 3.86Å; V347-L354 WeakPolarHBondContact O-CA 3.36Å; V347-T355 PolarHBondContact O-N 3.49Å; V347-T355 PolarHBondContact O-OG1 2.93Å; V347-D356 HydrophobicContact CB-CB 3.9Å; V347-D356 HydrophobicContact CG2-CB 3.88Å; V347-D356 PolarHBondContact N-O 2.87Å; V347-L394 HydrophobicContact CG2-CD1 4.08Å
348	E	96.3	Very high	95.7	Very high	51 Å²	51	40.5 Å²	40.5	24%	0.238	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.9	175.9	-172.6	160.9	-146.2	0	0	109.6	G297 R299 R308	G297-E348 WeakPolarHBondContact CA-O 3.42Å; G297-E348 PolarHBondContact O-N 3.15Å; G297-E348 VanDerWaalsContact O-N 3.13Å; R299-E348 IonicContact CZ-OE2 2.69Å; R299-E348 VanDerWaalsContact CZ-OE2 3.3Å; R299-E348 IonicContact NE-OE2 3.77Å; R299-E348 PolarHBondContact NE-OE2 3.28Å; R299-E348 IonicContact NH2-OE1 3.6Å; R299-E348 IonicContact NH2-OE2 2.83Å; R299-E348 PolarHBondContact NH2-OE2 2.77Å; R308-E348 IonicContact CZ-OE1 3.53Å; R308-E348 IonicContact NH1-OE1 2.79Å; R308-E348 PolarHBondContact NH1-OE1 3.34Å; R308-E348 IonicContact NH2-OE1 3.79Å
349	A	94.6	Very high	95.8	Very high	35 Å²	35	36.6 Å²	36.6	29%	0.289	20%	0.204	S	C	.	.			trans	-69.5	163.9	175	0	0	0	0	0	111.1	N351 G352 T353 T355	A349-N351 PolarHBondContact O-N 3.15Å; A349-G352 PolarHBondContact O-N 3Å; A349-T353 PolarHBondContact N-O 3.35Å; A349-T355 HydrophobicContact CB-CG2 3.96Å
350	D	92.3	Very high	96.1	Very high	136 Å²	136	28.7 Å²	28.7	73%	0.727	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-21.9	-177.9	-69.6	-22.4	0	0	0	113.8	K296 G352	K296-D350 WeakPolarHBondContact CE-OD1 3.43Å; K296-D350 IonicContact NZ-OD1 3.61Å; K296-D350 PolarHBondContact NZ-OD1 2.64Å; K296-D350 IonicContact NZ-OD2 2.82Å; K296-D350 PolarHBondContact NZ-OD2 3.06Å; D350-G352 VanDerWaalsContact C-N 3.33Å
351	N	92.1	Very high	96.5	Very high	124 Å²	124	26.4 Å²	26.4	66%	0.663	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	6.2	175.9	70.3	-0.8	0	0	0	114	A349 T353	A349-N351 PolarHBondContact O-N 3.15Å; N351-T353 VanDerWaalsContact C-N 3.33Å; N351-T353 PolarHBondContact ND2-OG1 2.73Å; N351-T353 PolarHBondContact O-N 3.41Å; N351-T353 WeakPolarHBondContact OD1-CB 3.49Å; N351-T353 PolarHBondContact OD1-N 2.86Å; N351-T353 PolarHBondContact OD1-OG1 3.08Å
352	G	90.5	Very high	96.5	Very high	31 Å²	31	26.5 Å²	26.5	32%	0.32	15%	0.153	S	C	.	.	S	Bend	trans	79	7.6	-177.3	0	0	0	0	0	115	R308 A349 D350	R308-G352 PolarHBondContact NH1-O 3.3Å; A349-G352 PolarHBondContact O-N 3Å; D350-G352 VanDerWaalsContact C-N 3.33Å
353	T	93.5	Very high	96.4	Very high	73 Å²	73	27.5 Å²	27.5	45%	0.448	16%	0.16	S	C	.	.			trans	-82.7	132.9	176.9	-55	0	0	0	0	110.1	A349 N351 T355	A349-T353 PolarHBondContact N-O 3.35Å; N351-T353 VanDerWaalsContact C-N 3.33Å; N351-T353 PolarHBondContact ND2-OG1 2.73Å; N351-T353 PolarHBondContact O-N 3.41Å; N351-T353 WeakPolarHBondContact OD1-CB 3.49Å; N351-T353 PolarHBondContact OD1-N 2.86Å; N351-T353 PolarHBondContact OD1-OG1 3.08Å; T353-T355 PolarHBondContact O-N 3.46Å
354	L	95.7	Very high	96.2	Very high	16 Å²	16	28.7 Å²	28.7	8%	0.084	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	114.2	173.5	-163.9	157.3	0	0	0	108.7	D305 R308 I309 L312 V346 V347 D356	D305-L354 HydrophobicContact CB-CD1 4.15Å; R308-L354 HydrophobicContact CB-CB 4.34Å; R308-L354 HydrophobicContact CB-CD1 4.18Å; I309-L354 HydrophobicContact CG1-CD1 3.96Å; L312-L354 HydrophobicContact CD2-CD2 3.4Å; V346-L354 HydrophobicContact CB-CD1 3.85Å; V346-L354 HydrophobicContact CB-CD2 4.42Å; V346-L354 HydrophobicContact CB-CG 4.05Å; V346-L354 HydrophobicContact CG1-CD1 3.75Å; V346-L354 HydrophobicContact CG1-CD2 4.47Å; V346-L354 HydrophobicContact CG1-CG 4.35Å; V346-L354 HydrophobicContact CG2-CD1 4.34Å; V347-L354 WeakPolarHBondContact O-CA 3.36Å; L354-D356 WeakPolarHBondContact CD2-O 3.28Å
355	T	96.4	Very high	95.9	Very high	26 Å²	26	29.4 Å²	29.4	16%	0.16	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-40.3	-173.3	53	0	0	0	0	112.5	V347 A349 T353 N387 A388	V347-T355 PolarHBondContact O-N 3.49Å; V347-T355 PolarHBondContact O-OG1 2.93Å; A349-T355 HydrophobicContact CB-CG2 3.96Å; T353-T355 PolarHBondContact O-N 3.46Å; T355-N387 WeakPolarHBondContact O-CB 3.29Å; T355-N387 PolarHBondContact O-ND2 3.29Å; T355-A388 HydrophobicContact CG2-CB 4.03Å
356	D	97.4	Very high	95.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.6	-169.6	-42.3	-67.9	0	0	0	110.6	V346 V347 L354 V385 C386 N387 A388 T389 L394	V346-D356 WeakPolarHBondContact CA-O 3.46Å; V347-D356 HydrophobicContact CB-CB 3.9Å; V347-D356 HydrophobicContact CG2-CB 3.88Å; V347-D356 PolarHBondContact N-O 2.87Å; L354-D356 WeakPolarHBondContact CD2-O 3.28Å; D356-V385 CarbonylContact C-O 3.56Å; D356-V385 VanDerWaalsContact CA-O 3.29Å; D356-V385 WeakPolarHBondContact CA-O 3.4Å; D356-V385 WeakPolarHBondContact CB-O 3.11Å; D356-C386 VanDerWaalsContact OD1-CA 3.3Å; D356-C386 WeakPolarHBondContact OD1-CA 3.35Å; D356-N387 PolarHBondContact OD1-N 3.45Å; D356-A388 PolarHBondContact OD1-N 3.26Å; D356-T389 PolarHBondContact OD2-OG1 3.1Å; D356-L394 HydrophobicContact CB-CD2 4.14Å
357	M	97.4	Very high	95.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	140.3	179.6	178.7	-164.8	-164	0	0	109.9	I309 L312 L313 F335 T344 Y345 A384 V385	I309-M357 HydrophobicContact CB-CE 4.32Å; I309-M357 HydrophobicContact CB-SD 4.38Å; I309-M357 HydrophobicContact CD1-CE 3.88Å; I309-M357 HydrophobicContact CD1-SD 4.5Å; I309-M357 HydrophobicContact CG1-CE 4.05Å; I309-M357 HydrophobicContact CG1-SD 4.09Å; I309-M357 HydrophobicContact CG2-CE 3.33Å; I309-M357 HydrophobicContact CG2-SD 3.57Å; I309-M357 VanDerWaalsContact CG2-SD 3.57Å; L312-M357 HydrophobicContact CD2-CB 3.89Å; L313-M357 HydrophobicContact CD1-CE 4.42Å; L313-M357 HydrophobicContact CD1-SD 4.19Å; L313-M357 HydrophobicContact CD2-SD 4.19Å; L313-M357 HydrophobicContact CG-SD 4.11Å; F335-M357 HydrophobicContact CB-CE 3.85Å; F335-M357 HydrophobicContact CD1-CE 3.52Å; F335-M357 HydrophobicContact CD2-CE 4.14Å; F335-M357 HydrophobicContact CE1-CE 4.05Å; F335-M357 HydrophobicContact CG-CE 3.57Å; T344-M357 HydrophobicContact CG2-CE 3.48Å; T344-M357 VanDerWaalsContact CG2-CE 3.48Å; T344-M357 HydrophobicContact CG2-CG 4.23Å; Y345-M357 WeakPolarHBondContact O-CA 3.47Å; M357-A384 CarbonylContact O-C 3.5Å; M357-A384 WeakPolarHBondContact O-CA 3.48Å; M357-V385 PolarHBondContact N-O 3.06Å; M357-V385 PolarHBondContact O-N 3.47Å
358	V	98.4	Very high	94.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	135.5	169.8	62.3	0	0	0	0	110.4	T344 Y345 L381 Y383 A384 L394 M395 T398	T344-V358 CarbonylContact C-O 3.57Å; T344-V358 WeakPolarHBondContact CA-O 3.08Å; Y345-V358 PolarHBondContact N-O 3.48Å; Y345-V358 PolarHBondContact O-N 2.87Å; V358-L381 HydrophobicContact CG2-CD1 4.12Å; V358-Y383 CarbonylContact C-O 3.55Å; V358-Y383 WeakPolarHBondContact CA-O 3.35Å; V358-A384 HydrophobicContact CG2-CB 4.38Å; V358-L394 HydrophobicContact CB-CD1 4.4Å; V358-L394 HydrophobicContact CB-CD2 4.27Å; V358-L394 HydrophobicContact CB-CG 4.27Å; V358-L394 HydrophobicContact CG1-CD1 4.1Å; V358-L394 HydrophobicContact CG1-CG 4.43Å; V358-M395 HydrophobicContact CG2-SD 3.93Å; V358-T398 HydrophobicContact CG1-CG2 4.36Å; V358-T398 WeakPolarHBondContact CG1-OG1 3.35Å; V358-T398 HydrophobicContact CG2-CG2 3.74Å; V358-T398 WeakPolarHBondContact CG2-OG1 3.16Å
359	S	98.5	Very high	94	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	140.5	180	-172.4	0	0	0	0	111	D343 T344 L382 Y383	D343-S359 CarbonylContact O-C 3.6Å; D343-S359 VanDerWaalsContact O-CA 3.28Å; D343-S359 WeakPolarHBondContact O-CA 3.37Å; D343-S359 PolarHBondContact O-OG 2.98Å; T344-S359 WeakPolarHBondContact OG1-CB 3.45Å; T344-S359 PolarHBondContact OG1-OG 3.41Å; S359-L382 WeakPolarHBondContact O-CA 3.34Å; S359-L382 WeakPolarHBondContact O-CB 3.36Å; S359-L382 PolarHBondContact O-N 3.07Å; S359-Y383 PolarHBondContact N-O 2.85Å; S359-Y383 PolarHBondContact O-N 3.32Å; S359-Y383 VanDerWaalsContact O-N 3.17Å
360	F	98.6	Very high	93.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	154	173.4	56.5	-91.3	0	0	0	110.8	N342 D343 Y345 A379 C380 T398 A402 F407 F410	N342-F360 WeakPolarHBondContact CA-O 3.22Å; D343-F360 HydrophobicContact CB-CD1 4.42Å; D343-F360 HydrophobicContact CB-CD2 4.03Å; D343-F360 HydrophobicContact CB-CE1 3.91Å; D343-F360 HydrophobicContact CB-CE2 3.48Å; D343-F360 VanDerWaalsContact CB-CE2 3.48Å; D343-F360 HydrophobicContact CB-CG 4.48Å; D343-F360 HydrophobicContact CB-CZ 3.41Å; D343-F360 VanDerWaalsContact CB-CZ 3.41Å; D343-F360 PolarHBondContact N-O 2.79Å; D343-F360 PolarHBondContact O-N 2.99Å; D343-F360 WeakPolarHBondContact OD2-CE2 3.24Å; Y345-F360 HydrophobicContact CD2-CE1 4.26Å; Y345-F360 AromaticContact CE2-CE1 4Å; Y345-F360 HydrophobicContact CE2-CE1 4Å; Y345-F360 HydrophobicContact CE2-CZ 4.15Å; F360-A379 HydrophobicContact CD2-CB 3.61Å; F360-A379 HydrophobicContact CE2-CB 4.03Å; F360-A379 HydrophobicContact CG-CB 4.3Å; F360-C380 CarbonylContact C-O 3.44Å; F360-C380 WeakPolarHBondContact CA-O 3.44Å; F360-C380 VanDerWaalsContact CB-O 3.23Å; F360-C380 WeakPolarHBondContact CB-O 3.35Å; F360-T398 HydrophobicContact CD1-CG2 3.78Å; F360-T398 HydrophobicContact CE1-CG2 3.76Å; F360-A402 HydrophobicContact CZ-CB 4.29Å; F360-F407 HydrophobicContact CD2-CZ 4.44Å; F360-F407 HydrophobicContact CE2-CD2 4.4Å; F360-F407 AromaticContact CE2-CE2 3.71Å; F360-F407 HydrophobicContact CE2-CE2 3.71Å; F360-F407 AromaticContact CE2-CZ 3.97Å; F360-F407 HydrophobicContact CE2-CZ 3.97Å; F360-F410 HydrophobicContact CB-CE2 4.21Å; F360-F410 HydrophobicContact CB-CZ 3.99Å; F360-F410 AromaticContact CD1-CE2 3.96Å; F360-F410 HydrophobicContact CD1-CE2 3.96Å; F360-F410 HydrophobicContact CD1-CZ 4.17Å; F360-F410 HydrophobicContact CD2-CE2 4.39Å; F360-F410 HydrophobicContact CE1-CE2 4.43Å; F360-F410 AromaticContact CG-CE2 3.93Å; F360-F410 HydrophobicContact CG-CE2 3.93Å; F360-F410 HydrophobicContact CG-CZ 4.16Å
361	Y	98.2	Very high	93.4	Very high	27 Å²	27	37.2 Å²	37.2	11%	0.106	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	155.8	177.5	65.1	-87.5	0	0	0	111.7	Y156 W159 V341 V363 A379 C380 L382 V454 P456	Y156-Y361 AromaticContact CE2-CD2 3.82Å; Y156-Y361 HydrophobicContact CE2-CD2 3.82Å; Y156-Y361 WeakPolarHBondContact OH-CD2 3.5Å; Y156-Y361 WeakPolarHBondContact OH-CE2 3.23Å; W159-Y361 HydrophobicContact CH2-CG 4.23Å; W159-Y361 HydrophobicContact CZ3-CG 4.37Å; V341-Y361 CarbonylContact O-C 3.59Å; V341-Y361 VanDerWaalsContact O-CA 3.3Å; V341-Y361 WeakPolarHBondContact O-CA 3.39Å; V341-Y361 WeakPolarHBondContact O-CB 3.36Å; Y361-V363 HydrophobicContact CD2-CG2 3.83Å; Y361-V363 HydrophobicContact CE2-CG2 3.47Å; Y361-V363 VanDerWaalsContact CE2-CG2 3.47Å; Y361-A379 CarbonylContact O-C 3.59Å; Y361-C380 HydrophobicContact CD1-CB 3.97Å; Y361-C380 VanDerWaalsContact CD1-O 3.31Å; Y361-C380 WeakPolarHBondContact CD1-O 3.46Å; Y361-C380 HydrophobicContact CD2-CB 4.02Å; Y361-C380 HydrophobicContact CE1-CB 3.52Å; Y361-C380 HydrophobicContact CE2-CB 3.6Å; Y361-C380 HydrophobicContact CG-CB 4.21Å; Y361-C380 PolarHBondContact N-O 2.8Å; Y361-C380 PolarHBondContact O-N 2.99Å; Y361-L382 HydrophobicContact CD1-CB 4.3Å; Y361-L382 HydrophobicContact CD1-CD1 4.05Å; Y361-L382 HydrophobicContact CE1-CD1 4.28Å; Y361-V454 HydrophobicContact CE1-CG1 4.37Å; Y361-P456 HydrophobicContact CD1-CB 4.4Å; Y361-P456 HydrophobicContact CD1-CG 4.4Å; Y361-P456 HydrophobicContact CD2-CB 4.33Å; Y361-P456 HydrophobicContact CE1-CB 4.22Å; Y361-P456 HydrophobicContact CE1-CG 4.3Å; Y361-P456 HydrophobicContact CE2-CB 4.12Å; Y361-P456 HydrophobicContact CG-CB 4.45Å
362	T	97.1	Very high	93.4	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.025	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	126.3	-179	-61.5	0	0	0	0	110.1	Y156 N340 V341 F407	Y156-T362 WeakPolarHBondContact CE2-O 3.31Å; N340-T362 VanDerWaalsContact O-CB 3.31Å; N340-T362 WeakPolarHBondContact O-CB 3.47Å; V341-T362 PolarHBondContact O-N 3.09Å; T362-F407 HydrophobicContact CG2-CE1 3.9Å; T362-F407 HydrophobicContact CG2-CZ 4.42Å; T362-F407 WeakPolarHBondContact OG1-CE1 3.32Å; T362-F407 VanDerWaalsContact OG1-CZ 3.24Å; T362-F407 WeakPolarHBondContact OG1-CZ 3.28Å
363	V	94.6	Very high	93.5	Very high	22 Å²	22	36.6 Å²	36.6	13%	0.133	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.6	163.7	178.4	0	0	0	0	107.7	F150 Y361 A378	F150-V363 HydrophobicContact CD1-CG1 3.75Å; F150-V363 HydrophobicContact CE1-CG1 3.63Å; Y361-V363 HydrophobicContact CD2-CG2 3.83Å; Y361-V363 HydrophobicContact CE2-CG2 3.47Å; Y361-V363 VanDerWaalsContact CE2-CG2 3.47Å; V363-A378 HydrophobicContact CB-CB 4.33Å; V363-A378 PolarHBondContact N-O 3.04Å; V363-A378 PolarHBondContact O-N 2.92Å
364	S	94.1	Very high	93.5	Very high	37 Å²	37	38.5 Å²	38.5	26%	0.259	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	141	177.5	-68.3	0	0	0	0	110.4	N151 L376	N151-S364 PolarHBondContact N-O 2.91Å; S364-L376 WeakPolarHBondContact CA-O 2.99Å
365	S	93.1	Very high	93.4	Very high	15 Å²	15	38.7 Å²	38.7	11%	0.105	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.5	175.6	-55.4	0	0	0	0	110.9	R149 G375 L376	R149-S365 CarbonylContact O-C 3.59Å; R149-S365 WeakPolarHBondContact O-CA 3.08Å; R149-S365 WeakPolarHBondContact O-CB 3.26Å; S365-G375 CarbonylContact O-C 3.59Å; S365-G375 WeakPolarHBondContact O-CA 3.44Å; S365-L376 PolarHBondContact N-O 3.2Å; S365-L376 PolarHBondContact O-N 2.56Å
366	R	91.9	Very high	93.3	Very high	125 Å²	125	37.8 Å²	37.8	47%	0.472	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	132.3	169.3	-171.6	177.2	176.8	-174.6	-5.5	109.2	I148 R149 N151 L368	I148-R366 WeakPolarHBondContact CA-O 3.37Å; R149-R366 PolarHBondContact N-O 2.82Å; R149-R366 PolarHBondContact O-N 2.72Å; N151-R366 HydrophobicContact CB-CB 4.47Å; R366-L368 HydrophobicContact CG-CD2 4.03Å
367	V	90.9	Very high	93.2	Very high	11 Å²	11	41 Å²	41	7%	0.067	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.4	170.9	-178.7	0	0	0	0	107.5	V269 H370 H373 T374 L376	V269-V367 HydrophobicContact CB-CG1 4.36Å; V269-V367 HydrophobicContact CG1-CG1 4.03Å; V269-V367 HydrophobicContact CG1-CG2 4.2Å; V367-H370 HydrophobicContact CG1-CB 3.54Å; V367-H373 WeakPolarHBondContact CB-O 3.33Å; V367-T374 PolarHBondContact N-O 2.94Å; V367-L376 HydrophobicContact CG2-CD1 3.75Å; V367-L376 HydrophobicContact CG2-CG 3.68Å
368	L	86.9	Confident	93.1	Very high	16 Å²	16	41.4 Å²	41.4	8%	0.084	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-96.8	140.9	-176.8	-55.2	179.7	0	0	0	110.5	D145 T147 R149 R366 H370	D145-L368 WeakPolarHBondContact O-CD1 3.38Å; T147-L368 PolarHBondContact O-N 3.08Å; R149-L368 HydrophobicContact CG-CD1 4.06Å; R366-L368 HydrophobicContact CG-CD2 4.03Å; L368-H370 PolarHBondContact O-N 3.16Å
369	N	80.9	Confident	93.1	Very high	78 Å²	78	41.4 Å²	41.4	42%	0.417	23%	0.228	S	C	.	.	S	Bend	trans	53.5	29.4	171.6	-66	-25.8	0	0	0	115.9	Q50	Q50-N369 PolarHBondContact NE2-ND2 2.88Å; Q50-N369 PolarHBondContact OE1-ND2 2.97Å
370	H	87.2	Confident	93.1	Very high	51 Å²	51	42 Å²	42	24%	0.236	23%	0.233	C	C	.	.			trans	-104.5	132.2	174.3	-171.9	-74.2	0	0	0	110	V367 L368 V372 H373	V367-H370 HydrophobicContact CG1-CB 3.54Å; L368-H370 PolarHBondContact O-N 3.16Å; H370-V372 VanDerWaalsContact C-N 3.27Å; H370-V372 PolarHBondContact ND1-N 3.24Å; H370-V372 VanDerWaalsContact ND1-N 3.2Å; H370-V372 PolarHBondContact O-N 2.68Å; H370-H373 AromaticContact CE1-CD2 3.25Å; H370-H373 PolarHBondContact CE1-CD2 3.26Å; H370-H373 AromaticContact CE1-CG 3.96Å; H370-H373 AromaticContact ND1-CD2 3.73Å; H370-H373 PolarHBondContact ND1-N 2.7Å; H370-H373 AromaticContact NE2-CD2 3.78Å
371	P	88.2	Confident	93.1	Very high	126 Å²	126	42.6 Å²	42.6	82%	0.818	24%	0.236	S	C	*	.	S	Bend	trans	-69.2	-22.6	-170	25.9	-35.2	0	0	0	114.3
372	V	91.7	Very high	93	Very high	109 Å²	109	41.6 Å²	41.6	66%	0.661	23%	0.232	S	C	*	.	S	Bend	trans	-114.3	-59	-175.3	-177.5	0	0	0	0	112.1	H370	H370-V372 VanDerWaalsContact C-N 3.27Å; H370-V372 PolarHBondContact ND1-N 3.24Å; H370-V372 VanDerWaalsContact ND1-N 3.2Å; H370-V372 PolarHBondContact O-N 2.68Å
373	H	92.8	Very high	93	Very high	32 Å²	32	41.9 Å²	41.9	15%	0.148	23%	0.233	C	C	.	.			trans	-82.1	125.6	-178.1	-54.6	-53.1	0	0	0	113	E268 V269 V367 H370	E268-H373 IonicContact OE2-CD2 3.92Å; E268-H373 IonicContact OE2-CE1 3.41Å; E268-H373 IonicContact OE2-NE2 2.89Å; E268-H373 PolarHBondContact OE2-NE2 3.39Å; V269-H373 HydrophobicContact CG1-CB 3.78Å; V367-H373 WeakPolarHBondContact CB-O 3.33Å; H370-H373 AromaticContact CE1-CD2 3.25Å; H370-H373 PolarHBondContact CE1-CD2 3.26Å; H370-H373 AromaticContact CE1-CG 3.96Å; H370-H373 AromaticContact ND1-CD2 3.73Å; H370-H373 PolarHBondContact ND1-N 2.7Å; H370-H373 AromaticContact NE2-CD2 3.78Å
374	T	93.1	Very high	93.1	Very high	114 Å²	114	41.5 Å²	41.5	70%	0.699	23%	0.232	S	C	*	.			trans	-103.8	-17	177.5	55.5	0	0	0	0	113.4	V367	V367-T374 PolarHBondContact N-O 2.94Å
375	G	93.5	Very high	93.2	Very high	20 Å²	20	39.8 Å²	39.8	21%	0.206	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	164.4	-178.6	0	0	0	0	0	113.5	K265 S365	K265-G375 WeakPolarHBondContact CE-O 3.48Å; K265-G375 PolarHBondContact NZ-O 2.87Å; S365-G375 CarbonylContact O-C 3.59Å; S365-G375 WeakPolarHBondContact O-CA 3.44Å
376	L	94.3	Very high	93.3	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145	178.1	-71.2	162.5	0	0	0	109.4	I148 K265 L266 V269 Y271 S364 S365 V367 D408	I148-L376 HydrophobicContact CD1-CD1 3.55Å; I148-L376 HydrophobicContact CG1-CD1 4.16Å; I148-L376 HydrophobicContact CG2-CD1 4.36Å; K265-L376 HydrophobicContact CD-CD2 3.86Å; K265-L376 HydrophobicContact CG-CD2 4.02Å; L266-L376 HydrophobicContact CD2-CD2 4.15Å; V269-L376 HydrophobicContact CG2-CD1 3.8Å; V269-L376 HydrophobicContact CG2-CD2 4.13Å; V269-L376 HydrophobicContact CG2-CG 4.46Å; Y271-L376 HydrophobicContact CD2-CD1 4.02Å; S364-L376 WeakPolarHBondContact CA-O 2.99Å; S365-L376 PolarHBondContact N-O 3.2Å; S365-L376 PolarHBondContact O-N 2.56Å; V367-L376 HydrophobicContact CG2-CD1 3.75Å; V367-L376 HydrophobicContact CG2-CG 3.68Å; L376-D408 WeakPolarHBondContact CA-OD2 3.17Å; L376-D408 HydrophobicContact CD2-CB 4.11Å
377	R	96.1	Very high	93.3	Very high	66 Å²	66	39.3 Å²	39.3	25%	0.249	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120	174.6	-66.7	176.3	67.5	-154.7	0.1	109.7	K405 F407 D408	R377-K405 PolarHBondContact NH1-O 2.83Å; R377-F407 HydrophobicContact CB-CD1 3.89Å; R377-F407 HydrophobicContact CB-CE1 4.39Å; R377-D408 PolarHBondContact N-OD2 2.82Å; R377-D408 PolarHBondContact O-N 3.35Å
378	A	95.9	Very high	93.3	Very high	9 Å²	9	42 Å²	42	7%	0.074	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.6	171.2	0	0	0	0	0	109.8	V363 F407 V409	V363-A378 HydrophobicContact CB-CB 4.33Å; V363-A378 PolarHBondContact N-O 3.04Å; V363-A378 PolarHBondContact O-N 2.92Å; A378-F407 VanDerWaalsContact C-CD1 3.48Å; A378-V409 WeakPolarHBondContact CA-O 3.32Å; A378-V409 HydrophobicContact CB-CG1 3.54Å
379	A	98	Very high	93.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	121.1	167.2	0	0	0	0	0	108.1	F360 Y361 A402 F407 V409 F410 C411	F360-A379 HydrophobicContact CD2-CB 3.61Å; F360-A379 HydrophobicContact CE2-CB 4.03Å; F360-A379 HydrophobicContact CG-CB 4.3Å; Y361-A379 CarbonylContact O-C 3.59Å; A379-A402 HydrophobicContact CB-CB 4.36Å; A379-F407 HydrophobicContact CB-CB 4.34Å; A379-F407 HydrophobicContact CB-CD1 3.61Å; A379-F407 HydrophobicContact CB-CD2 4.21Å; A379-F407 HydrophobicContact CB-CE1 3.81Å; A379-F407 HydrophobicContact CB-CE2 4.41Å; A379-F407 HydrophobicContact CB-CG 3.81Å; A379-F407 HydrophobicContact CB-CZ 4.2Å; A379-V409 PolarHBondContact N-O 2.9Å; A379-F410 HydrophobicContact CB-CD2 3.46Å; A379-F410 VanDerWaalsContact CB-CD2 3.46Å; A379-F410 HydrophobicContact CB-CE2 3.73Å; A379-F410 HydrophobicContact CB-CG 4.19Å; A379-F410 CarbonylContact O-C 3.43Å; A379-F410 VanDerWaalsContact O-CA 3.3Å; A379-F410 WeakPolarHBondContact O-CA 3.47Å; A379-C411 PolarHBondContact O-N 3.01Å
380	C	97.6	Very high	94.1	Very high	13 Å²	13	41 Å²	41	9%	0.088	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.1	-179.7	-67.2	0	0	0	0	109.9	F360 Y361 L382 C411	F360-C380 CarbonylContact C-O 3.44Å; F360-C380 WeakPolarHBondContact CA-O 3.44Å; F360-C380 VanDerWaalsContact CB-O 3.23Å; F360-C380 WeakPolarHBondContact CB-O 3.35Å; Y361-C380 HydrophobicContact CD1-CB 3.97Å; Y361-C380 VanDerWaalsContact CD1-O 3.31Å; Y361-C380 WeakPolarHBondContact CD1-O 3.46Å; Y361-C380 HydrophobicContact CD2-CB 4.02Å; Y361-C380 HydrophobicContact CE1-CB 3.52Å; Y361-C380 HydrophobicContact CE2-CB 3.6Å; Y361-C380 HydrophobicContact CG-CB 4.21Å; Y361-C380 PolarHBondContact N-O 2.8Å; Y361-C380 PolarHBondContact O-N 2.99Å; C380-L382 PolarHBondContact O-N 2.94Å; C380-C411 WeakPolarHBondContact CA-O 3.4Å; C380-C411 HydrophobicContact CB-CB 4.48Å
381	L	98.4	Very high	94.4	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.063	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	127.9	179.2	-172.8	59.7	0	0	0	111	V358 A384 M395 F410 C411 A412 F421	V358-L381 HydrophobicContact CG2-CD1 4.12Å; L381-A384 HydrophobicContact CD1-CB 4.3Å; L381-M395 HydrophobicContact CD1-CE 4.03Å; L381-M395 HydrophobicContact CD1-SD 4.08Å; L381-M395 HydrophobicContact CD2-CE 4.19Å; L381-M395 HydrophobicContact CD2-SD 4.44Å; L381-F410 HydrophobicContact CB-CE1 3.97Å; L381-F410 HydrophobicContact CB-CZ 4.48Å; L381-F410 HydrophobicContact CD1-CE1 4.45Å; L381-F410 HydrophobicContact CD1-CZ 4.39Å; L381-C411 PolarHBondContact N-O 2.86Å; L381-A412 HydrophobicContact CB-CB 4.02Å; L381-A412 HydrophobicContact CD2-CB 4.08Å; L381-F421 HydrophobicContact CD2-CE1 4.42Å; L381-F421 HydrophobicContact CD2-CZ 3.74Å
382	L	97.1	Very high	94.8	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-61.1	173	-167.2	67.7	0	0	0	109.8	F335 S359 Y361 C380 V454 P456	F335-L382 HydrophobicContact CD1-CD2 4.08Å; F335-L382 HydrophobicContact CE1-CD2 3.61Å; F335-L382 HydrophobicContact CE1-CG 4.29Å; F335-L382 HydrophobicContact CZ-CD2 4.38Å; S359-L382 WeakPolarHBondContact O-CA 3.34Å; S359-L382 WeakPolarHBondContact O-CB 3.36Å; S359-L382 PolarHBondContact O-N 3.07Å; Y361-L382 HydrophobicContact CD1-CB 4.3Å; Y361-L382 HydrophobicContact CD1-CD1 4.05Å; Y361-L382 HydrophobicContact CE1-CD1 4.28Å; C380-L382 PolarHBondContact O-N 2.94Å; L382-V454 HydrophobicContact CD1-CB 4Å; L382-V454 HydrophobicContact CD1-CG1 3.8Å; L382-V454 VanDerWaalsContact O-CG2 3.23Å; L382-V454 WeakPolarHBondContact O-CG2 3.36Å; L382-P456 HydrophobicContact CD1-CG 3.95Å
383	Y	97.3	Very high	95	Very high	11 Å²	11	34.8 Å²	34.8	4%	0.043	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	146.4	175.4	-73.5	-80.5	0	0	0	110.9	L313 L317 P324 F335 V358 S359 M416 S452	L313-Y383 HydrophobicContact CD2-CD1 4.39Å; L313-Y383 HydrophobicContact CD2-CG 4.28Å; L317-Y383 HydrophobicContact CD2-CD1 4.38Å; L317-Y383 HydrophobicContact CD2-CE1 3.76Å; P324-Y383 WeakPolarHBondContact CG-OH 3.45Å; F335-Y383 AromaticContact CE1-CD2 3.58Å; F335-Y383 HydrophobicContact CE1-CD2 3.58Å; F335-Y383 HydrophobicContact CE1-CE2 4.28Å; F335-Y383 HydrophobicContact CE1-CG 4.43Å; F335-Y383 AromaticContact CZ-CD2 3.51Å; F335-Y383 HydrophobicContact CZ-CD2 3.51Å; F335-Y383 AromaticContact CZ-CE2 3.84Å; F335-Y383 HydrophobicContact CZ-CE2 3.84Å; F335-Y383 HydrophobicContact CZ-CG 4.44Å; V358-Y383 CarbonylContact C-O 3.55Å; V358-Y383 WeakPolarHBondContact CA-O 3.35Å; S359-Y383 PolarHBondContact N-O 2.85Å; S359-Y383 PolarHBondContact O-N 3.32Å; S359-Y383 VanDerWaalsContact O-N 3.17Å; Y383-M416 HydrophobicContact CD1-CE 4.11Å; Y383-M416 HydrophobicContact CD1-SD 3.85Å; Y383-M416 HydrophobicContact CE1-CE 4.33Å; Y383-M416 HydrophobicContact CE1-SD 3.98Å; Y383-S452 WeakPolarHBondContact CE1-O 3.49Å; Y383-S452 VanDerWaalsContact CZ-O 3.26Å; Y383-S452 PolarHBondContact OH-O 3.37Å
384	A	96.8	Very high	95.3	Very high	14 Å²	14	33.3 Å²	33.3	12%	0.116	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	112.7	165	0	0	0	0	0	107.7	M357 V358 L381 M395	M357-A384 CarbonylContact O-C 3.5Å; M357-A384 WeakPolarHBondContact O-CA 3.48Å; V358-A384 HydrophobicContact CG2-CB 4.38Å; L381-A384 HydrophobicContact CD1-CB 4.3Å; A384-M395 HydrophobicContact CB-SD 3.89Å
385	V	95.8	Very high	95.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124	175.1	-173.9	0	0	0	0	107.8	L312 L313 N316 D356 M357	L312-V385 HydrophobicContact CD1-CG1 3.72Å; L312-V385 HydrophobicContact CD2-CB 4.32Å; L312-V385 HydrophobicContact CD2-CG1 4.16Å; L312-V385 HydrophobicContact CG-CB 4.3Å; L312-V385 HydrophobicContact CG-CG1 3.74Å; L313-V385 HydrophobicContact CD2-CG2 3.85Å; N316-V385 HydrophobicContact CB-CG1 3.7Å; N316-V385 HydrophobicContact CB-CG2 4.1Å; D356-V385 CarbonylContact C-O 3.56Å; D356-V385 VanDerWaalsContact CA-O 3.29Å; D356-V385 WeakPolarHBondContact CA-O 3.4Å; D356-V385 WeakPolarHBondContact CB-O 3.11Å; M357-V385 PolarHBondContact N-O 3.06Å; M357-V385 PolarHBondContact O-N 3.47Å
386	C	94.1	Very high	95.7	Very high	33 Å²	33	29.3 Å²	29.3	22%	0.223	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	118.6	-174.8	-177.3	0	0	0	0	110.5	D356 G390 V391 L394	D356-C386 VanDerWaalsContact OD1-CA 3.3Å; D356-C386 WeakPolarHBondContact OD1-CA 3.35Å; C386-G390 PolarHBondContact SG-N 3.3Å; C386-V391 HydrophobicContact CB-CB 4.04Å; C386-V391 HydrophobicContact CB-CG2 4.41Å; C386-V391 PolarHBondContact SG-N 2.97Å; C386-V391 VanDerWaalsContact SG-N 3.38Å; C386-L394 HydrophobicContact CB-CD2 4.06Å
387	N	92.8	Very high	95.9	Very high	97 Å²	97	29.2 Å²	29.2	52%	0.519	18%	0.178	S	C	.	.	S	Bend	trans	-113	-25.4	177.2	-68.3	-35.5	0	0	0	113.5	L312 T355 D356	L312-N387 WeakPolarHBondContact CD1-ND2 3.28Å; T355-N387 WeakPolarHBondContact O-CB 3.29Å; T355-N387 PolarHBondContact O-ND2 3.29Å; D356-N387 PolarHBondContact OD1-N 3.45Å
388	A	91.3	Very high	96	Very high	69 Å²	69	26.1 Å²	26.1	57%	0.57	17%	0.166	S	C	*	.	S	Bend	trans	-122.8	-42.9	-171.4	0	0	0	0	0	113.6	T355 D356	T355-A388 HydrophobicContact CG2-CB 4.03Å; D356-A388 PolarHBondContact OD1-N 3.26Å
389	T	89.3	Confident	96.1	Very high	40 Å²	40	25.7 Å²	25.7	25%	0.245	16%	0.163	C	C	.	.	S	Bend	trans	-79.6	-29.1	-166.1	-59.2	0	0	0	0	114.2	I295 D356 D393	I295-T389 HydrophobicContact CD1-CG2 3.58Å; I295-T389 HydrophobicContact CG1-CG2 3.66Å; I295-T389 HydrophobicContact CG2-CG2 4.19Å; D356-T389 PolarHBondContact OD2-OG1 3.1Å; T389-D393 HydrophobicContact CG2-CB 4.19Å
390	G	94.1	Very high	96.2	Very high	33 Å²	33	26 Å²	26	34%	0.34	17%	0.165	S	C	.	.			trans	94.7	121.5	-165.2	0	0	0	0	0	111.1	C386 A392 D393 L394	C386-G390 PolarHBondContact SG-N 3.3Å; G390-A392 VanDerWaalsContact C-N 3.27Å; G390-A392 PolarHBondContact O-N 3.47Å; G390-D393 PolarHBondContact O-N 2.78Å; G390-L394 PolarHBondContact O-N 2.84Å
391	V	94.7	Very high	96.2	Very high	35 Å²	35	27 Å²	27	21%	0.212	17%	0.17	C	C	.	.	H	α-helix	trans	-62	-32.4	-169.9	66.7	0	0	0	0	113.3	C386 M395 S420 F421	C386-V391 HydrophobicContact CB-CB 4.04Å; C386-V391 HydrophobicContact CB-CG2 4.41Å; C386-V391 PolarHBondContact SG-N 2.97Å; C386-V391 VanDerWaalsContact SG-N 3.38Å; V391-M395 HydrophobicContact CG2-CG 4.37Å; V391-M395 WeakPolarHBondContact O-CB 3.4Å; V391-M395 VanDerWaalsContact O-CG 3.29Å; V391-M395 WeakPolarHBondContact O-CG 3.47Å; V391-M395 PolarHBondContact O-N 2.8Å; V391-S420 VanDerWaalsContact CG1-OG 3.23Å; V391-S420 WeakPolarHBondContact CG1-OG 3.39Å; V391-F421 HydrophobicContact CG2-CD1 3.81Å; V391-F421 HydrophobicContact CG2-CE1 4.27Å
392	A	95.8	Very high	96.2	Very high	22 Å²	22	26.5 Å²	26.5	18%	0.182	17%	0.167	C	C	.	.	H	α-helix	trans	-67.6	-37.1	176.5	0	0	0	0	0	112.1	G390 Q396 F421	G390-A392 VanDerWaalsContact C-N 3.27Å; G390-A392 PolarHBondContact O-N 3.47Å; A392-Q396 WeakPolarHBondContact O-CB 3.22Å; A392-Q396 PolarHBondContact O-N 3.07Å; A392-F421 HydrophobicContact CB-CB 4.23Å
393	D	96.7	Very high	96.2	Very high	98 Å²	98	30.4 Å²	30.4	52%	0.524	18%	0.183	S	C	.	.	H	α-helix	trans	-72.7	-42.9	177.7	-67.1	-36.7	0	0	0	110.7	T389 G390 M395 Q396 D397	T389-D393 HydrophobicContact CG2-CB 4.19Å; G390-D393 PolarHBondContact O-N 2.78Å; D393-M395 VanDerWaalsContact C-N 3.34Å; D393-M395 PolarHBondContact O-N 3.37Å; D393-Q396 WeakPolarHBondContact O-CB 3.32Å; D393-Q396 PolarHBondContact O-N 2.82Å; D393-D397 PolarHBondContact O-N 3.13Å
394	L	97.8	Very high	96.2	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-56	-48.3	172.7	-179	63.8	0	0	0	111.6	I295 V347 D356 V358 C386 G390 D397 T398	I295-L394 HydrophobicContact CD1-CB 4.43Å; I295-L394 HydrophobicContact CD1-CD1 4.26Å; V347-L394 HydrophobicContact CG2-CD1 4.08Å; D356-L394 HydrophobicContact CB-CD2 4.14Å; V358-L394 HydrophobicContact CB-CD1 4.4Å; V358-L394 HydrophobicContact CB-CD2 4.27Å; V358-L394 HydrophobicContact CB-CG 4.27Å; V358-L394 HydrophobicContact CG1-CD1 4.1Å; V358-L394 HydrophobicContact CG1-CG 4.43Å; C386-L394 HydrophobicContact CB-CD2 4.06Å; G390-L394 PolarHBondContact O-N 2.84Å; L394-D397 PolarHBondContact O-N 3.12Å; L394-T398 WeakPolarHBondContact O-CB 3.26Å; L394-T398 PolarHBondContact O-N 3.38Å; L394-T398 PolarHBondContact O-OG1 2.78Å
395	M	98.2	Very high	96.2	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69.6	-34.2	178.5	-72.3	-55.7	-55.3	0	0	112.4	V358 L381 A384 V391 D393 D397 T398 L399 F410 F421 L425	V358-M395 HydrophobicContact CG2-SD 3.93Å; L381-M395 HydrophobicContact CD1-CE 4.03Å; L381-M395 HydrophobicContact CD1-SD 4.08Å; L381-M395 HydrophobicContact CD2-CE 4.19Å; L381-M395 HydrophobicContact CD2-SD 4.44Å; A384-M395 HydrophobicContact CB-SD 3.89Å; V391-M395 HydrophobicContact CG2-CG 4.37Å; V391-M395 WeakPolarHBondContact O-CB 3.4Å; V391-M395 VanDerWaalsContact O-CG 3.29Å; V391-M395 WeakPolarHBondContact O-CG 3.47Å; V391-M395 PolarHBondContact O-N 2.8Å; D393-M395 VanDerWaalsContact C-N 3.34Å; D393-M395 PolarHBondContact O-N 3.37Å; M395-D397 PolarHBondContact O-N 3.28Å; M395-T398 HydrophobicContact CE-CG2 4.45Å; M395-T398 WeakPolarHBondContact O-CB 3.47Å; M395-T398 PolarHBondContact O-N 3.43Å; M395-L399 VanDerWaalsContact O-CG 3.3Å; M395-L399 WeakPolarHBondContact O-CG 3.43Å; M395-L399 PolarHBondContact O-N 3.47Å; M395-F410 HydrophobicContact CE-CE1 3.75Å; M395-F410 HydrophobicContact CE-CZ 4Å; M395-F421 HydrophobicContact CB-CD2 4.08Å; M395-F421 HydrophobicContact CB-CE2 4.39Å; M395-F421 HydrophobicContact CB-CG 4.17Å; M395-F421 HydrophobicContact CE-CE2 3.94Å; M395-F421 HydrophobicContact CE-CZ 3.97Å; M395-F421 HydrophobicContact CG-CD1 3.77Å; M395-F421 HydrophobicContact CG-CD2 3.98Å; M395-F421 HydrophobicContact CG-CE1 3.71Å; M395-F421 HydrophobicContact CG-CE2 3.97Å; M395-F421 HydrophobicContact CG-CG 3.9Å; M395-F421 HydrophobicContact CG-CZ 3.85Å; M395-F421 HydrophobicContact SD-CE1 4.37Å; M395-F421 HydrophobicContact SD-CZ 4.19Å; M395-L425 HydrophobicContact CB-CD1 3.43Å; M395-L425 VanDerWaalsContact CB-CD1 3.43Å
396	Q	98	Very high	96.2	Very high	50 Å²	50	39 Å²	39	23%	0.234	25%	0.245	C	C	.	.	H	α-helix	trans	-60.7	-43.8	175.5	177.4	59.3	75.2	0	0	111.7	A392 D393 L399 V400 L425	A392-Q396 WeakPolarHBondContact O-CB 3.22Å; A392-Q396 PolarHBondContact O-N 3.07Å; D393-Q396 WeakPolarHBondContact O-CB 3.32Å; D393-Q396 PolarHBondContact O-N 2.82Å; Q396-L399 PolarHBondContact O-N 3.02Å; Q396-V400 WeakPolarHBondContact O-CG2 3.08Å; Q396-V400 PolarHBondContact O-N 3.07Å; Q396-L425 HydrophobicContact CB-CD2 4Å
397	D	98.3	Very high	96.4	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.027	24%	0.235	C	C	.	.	H	α-helix	trans	-72	-34.6	175.4	-85.1	5.5	0	0	0	112.2	A293 K294 I295 L298 D393 L394 M395 L399 V400 L401	A293-D397 HydrophobicContact CB-CB 3.96Å; A293-D397 WeakPolarHBondContact CB-OD2 3.4Å; K294-D397 VanDerWaalsContact N-CG 3.34Å; K294-D397 PolarHBondContact N-OD1 2.81Å; K294-D397 PolarHBondContact N-OD2 3.09Å; I295-D397 WeakPolarHBondContact CB-OD2 2.85Å; I295-D397 HydrophobicContact CD1-CB 3.89Å; I295-D397 WeakPolarHBondContact CD1-OD2 3.21Å; I295-D397 WeakPolarHBondContact CG1-OD2 3.41Å; I295-D397 PolarHBondContact N-OD2 3.34Å; L298-D397 HydrophobicContact CD2-CB 4.01Å; D393-D397 PolarHBondContact O-N 3.13Å; L394-D397 PolarHBondContact O-N 3.12Å; M395-D397 PolarHBondContact O-N 3.28Å; D397-L399 VanDerWaalsContact C-N 3.29Å; D397-L399 PolarHBondContact O-N 3.44Å; D397-V400 WeakPolarHBondContact O-CA 3.43Å; D397-V400 WeakPolarHBondContact O-CB 3.46Å; D397-V400 PolarHBondContact O-N 2.76Å; D397-L401 WeakPolarHBondContact O-CG 3.27Å; D397-L401 PolarHBondContact O-N 2.98Å
398	T	98.4	Very high	96.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-42.1	172.3	-56.2	0	0	0	0	111.5	V358 F360 L394 M395 V400 L401 A402 F410	V358-T398 HydrophobicContact CG1-CG2 4.36Å; V358-T398 WeakPolarHBondContact CG1-OG1 3.35Å; V358-T398 HydrophobicContact CG2-CG2 3.74Å; V358-T398 WeakPolarHBondContact CG2-OG1 3.16Å; F360-T398 HydrophobicContact CD1-CG2 3.78Å; F360-T398 HydrophobicContact CE1-CG2 3.76Å; L394-T398 WeakPolarHBondContact O-CB 3.26Å; L394-T398 PolarHBondContact O-N 3.38Å; L394-T398 PolarHBondContact O-OG1 2.78Å; M395-T398 HydrophobicContact CE-CG2 4.45Å; M395-T398 WeakPolarHBondContact O-CB 3.47Å; M395-T398 PolarHBondContact O-N 3.43Å; T398-V400 VanDerWaalsContact C-N 3.31Å; T398-V400 PolarHBondContact O-N 2.91Å; T398-L401 PolarHBondContact O-N 3.25Å; T398-A402 WeakPolarHBondContact O-CB 3.45Å; T398-A402 PolarHBondContact O-N 3.45Å; T398-F410 HydrophobicContact CG2-CE2 3.85Å; T398-F410 HydrophobicContact CG2-CZ 3.88Å
399	L	98.6	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.2	-35.7	175.1	-66.3	173.8	0	0	0	112.3	R259 L261 L289 M395 Q396 D397 K403 F410 L425 F427	R259-L399 HydrophobicContact CB-CD2 4.31Å; R259-L399 HydrophobicContact CG-CD1 3.92Å; R259-L399 HydrophobicContact CG-CD2 3.78Å; R259-L399 HydrophobicContact CG-CG 4.5Å; L261-L399 HydrophobicContact CD2-CB 4.31Å; L261-L399 HydrophobicContact CD2-CD2 4.08Å; L289-L399 HydrophobicContact CD1-CB 3.84Å; L289-L399 HydrophobicContact CD2-CB 4.16Å; L289-L399 HydrophobicContact CD2-CD1 4.35Å; M395-L399 VanDerWaalsContact O-CG 3.3Å; M395-L399 WeakPolarHBondContact O-CG 3.43Å; M395-L399 PolarHBondContact O-N 3.47Å; Q396-L399 PolarHBondContact O-N 3.02Å; D397-L399 VanDerWaalsContact C-N 3.29Å; D397-L399 PolarHBondContact O-N 3.44Å; L399-K403 VanDerWaalsContact O-CB 3.31Å; L399-K403 WeakPolarHBondContact O-CB 3.15Å; L399-K403 PolarHBondContact O-N 3.22Å; L399-F410 HydrophobicContact CD2-CB 3.53Å; L399-F410 HydrophobicContact CD2-CD1 4.02Å; L399-F410 HydrophobicContact CD2-CD2 3.88Å; L399-F410 HydrophobicContact CD2-CG 3.55Å; L399-L425 HydrophobicContact CD1-CB 4.29Å; L399-L425 HydrophobicContact CD1-CD1 4.28Å; L399-F427 HydrophobicContact CD1-CE2 4.15Å; L399-F427 HydrophobicContact CD2-CE2 4.34Å; L399-F427 HydrophobicContact CD2-CZ 3.98Å
400	V	98.4	Very high	97.3	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-64.8	-47.4	174.5	175.2	0	0	0	0	110.1	L289 P290 Q396 D397 T398 K403 A404	L289-V400 HydrophobicContact CB-CG2 4.24Å; P290-V400 HydrophobicContact CB-CG2 4.13Å; P290-V400 HydrophobicContact CG-CG2 4.26Å; Q396-V400 WeakPolarHBondContact O-CG2 3.08Å; Q396-V400 PolarHBondContact O-N 3.07Å; D397-V400 WeakPolarHBondContact O-CA 3.43Å; D397-V400 WeakPolarHBondContact O-CB 3.46Å; D397-V400 PolarHBondContact O-N 2.76Å; T398-V400 VanDerWaalsContact C-N 3.31Å; T398-V400 PolarHBondContact O-N 2.91Å; V400-K403 PolarHBondContact O-N 3.05Å; V400-A404 WeakPolarHBondContact O-CB 3.42Å; V400-A404 PolarHBondContact O-N 2.98Å
401	L	97.9	Very high	97.4	Very high	35 Å²	35	26.7 Å²	26.7	18%	0.183	16%	0.159	C	C	.	.	H	α-helix	trans	-60.7	-46.4	177.3	-69.2	171.4	0	0	0	112.1	L298 Y345 D397 T398 K403 A404 K405	L298-L401 HydrophobicContact CD2-CD1 3.76Å; L298-L401 HydrophobicContact CG-CD1 4.38Å; Y345-L401 HydrophobicContact CD1-CD1 3.73Å; Y345-L401 HydrophobicContact CD2-CD1 4.06Å; Y345-L401 HydrophobicContact CE1-CD1 3.7Å; Y345-L401 HydrophobicContact CE1-CD2 4.2Å; Y345-L401 HydrophobicContact CE1-CG 4.47Å; Y345-L401 HydrophobicContact CE2-CB 4.49Å; Y345-L401 HydrophobicContact CE2-CD1 4.02Å; Y345-L401 HydrophobicContact CG-CD1 3.92Å; D397-L401 WeakPolarHBondContact O-CG 3.27Å; D397-L401 PolarHBondContact O-N 2.98Å; T398-L401 PolarHBondContact O-N 3.25Å; L401-K403 VanDerWaalsContact C-N 3.34Å; L401-K403 PolarHBondContact O-N 3.25Å; L401-A404 PolarHBondContact O-N 3.44Å; L401-K405 PolarHBondContact O-N 3.02Å
402	A	98.3	Very high	97.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-42.8	176.4	0	0	0	0	0	111.4	L261 F360 A379 T398 A404 K405 G406 F407 F410	L261-A402 HydrophobicContact CD1-CB 3.86Å; F360-A402 HydrophobicContact CZ-CB 4.29Å; A379-A402 HydrophobicContact CB-CB 4.36Å; T398-A402 WeakPolarHBondContact O-CB 3.45Å; T398-A402 PolarHBondContact O-N 3.45Å; A402-A404 PolarHBondContact O-N 3.42Å; A402-K405 CarbonylContact O-C 3.55Å; A402-K405 PolarHBondContact O-N 3.03Å; A402-G406 PolarHBondContact O-N 2.85Å; A402-F407 HydrophobicContact CB-CB 4.34Å; A402-F407 HydrophobicContact CB-CD2 4.01Å; A402-F407 HydrophobicContact CB-CG 4.45Å; A402-F407 WeakPolarHBondContact O-CB 3.39Å; A402-F407 VanDerWaalsContact O-CD2 3.25Å; A402-F407 WeakPolarHBondContact O-CD2 3.4Å; A402-F407 PolarHBondContact O-N 3.02Å; A402-F407 VanDerWaalsContact O-N 3.11Å; A402-F410 HydrophobicContact CB-CD2 3.76Å; A402-F410 HydrophobicContact CB-CE2 4.06Å
403	K	97.9	Very high	97.6	Very high	89 Å²	89	25.4 Å²	25.4	39%	0.387	15%	0.148	S	C	.	.	H	α-helix	trans	-63	-42.6	176.1	-175.8	174.8	176.8	-175.5	0	112	L261 L289 L399 V400 L401 K405 G406	L261-K403 HydrophobicContact CB-CB 4.46Å; L261-K403 HydrophobicContact CD2-CB 4.48Å; L289-K403 HydrophobicContact CB-CD 4.48Å; L289-K403 HydrophobicContact CD1-CB 4.26Å; L289-K403 HydrophobicContact CD1-CD 4Å; L399-K403 VanDerWaalsContact O-CB 3.31Å; L399-K403 WeakPolarHBondContact O-CB 3.15Å; L399-K403 PolarHBondContact O-N 3.22Å; V400-K403 PolarHBondContact O-N 3.05Å; L401-K403 VanDerWaalsContact C-N 3.34Å; L401-K403 PolarHBondContact O-N 3.25Å; K403-K405 PolarHBondContact O-N 3.31Å; K403-G406 PolarHBondContact O-N 2.86Å
404	A	96.7	Very high	97.6	Very high	83 Å²	83	21.7 Å²	21.7	69%	0.686	13%	0.128	S	C	*	.	H	α-helix	trans	-62.3	-32.3	176.7	0	0	0	0	0	112.2	V400 L401 A402 G406	V400-A404 WeakPolarHBondContact O-CB 3.42Å; V400-A404 PolarHBondContact O-N 2.98Å; L401-A404 PolarHBondContact O-N 3.44Å; A402-A404 PolarHBondContact O-N 3.42Å; A404-G406 PolarHBondContact O-N 2.95Å
405	K	96.3	Very high	97.5	Very high	81 Å²	81	21.7 Å²	21.7	35%	0.352	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	2.9	173.2	-75.9	-173.5	162.7	178.1	0	114.7	D343 Y345 R377 L401 A402 K403 F407	D343-K405 IonicContact OD1-NZ 2.77Å; D343-K405 PolarHBondContact OD1-NZ 3.45Å; D343-K405 IonicContact OD2-NZ 3.3Å; Y345-K405 WeakPolarHBondContact OH-CE 3.46Å; Y345-K405 PolarHBondContact OH-NZ 2.88Å; R377-K405 PolarHBondContact NH1-O 2.83Å; L401-K405 PolarHBondContact O-N 3.02Å; A402-K405 CarbonylContact O-C 3.55Å; A402-K405 PolarHBondContact O-N 3.03Å; K403-K405 PolarHBondContact O-N 3.31Å; K405-F407 HydrophobicContact CB-CD2 3.91Å; K405-F407 HydrophobicContact CB-CE2 3.93Å
406	G	96.4	Very high	97.4	Very high	40 Å²	40	22 Å²	22	41%	0.412	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	23.4	175.1	0	0	0	0	0	114.5	A402 K403 A404	A402-G406 PolarHBondContact O-N 2.85Å; K403-G406 PolarHBondContact O-N 2.86Å; A404-G406 PolarHBondContact O-N 2.95Å
407	F	98.2	Very high	97.1	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.013	14%	0.142	C	C	.	.			trans	-71.6	141.9	169	-71.5	-84.5	0	0	0	110.7	L261 F360 T362 R377 A378 A379 A402 K405	L261-F407 WeakPolarHBondContact CB-O 3.5Å; L261-F407 HydrophobicContact CD1-CB 3.77Å; F360-F407 HydrophobicContact CD2-CZ 4.44Å; F360-F407 HydrophobicContact CE2-CD2 4.4Å; F360-F407 AromaticContact CE2-CE2 3.71Å; F360-F407 HydrophobicContact CE2-CE2 3.71Å; F360-F407 AromaticContact CE2-CZ 3.97Å; F360-F407 HydrophobicContact CE2-CZ 3.97Å; T362-F407 HydrophobicContact CG2-CE1 3.9Å; T362-F407 HydrophobicContact CG2-CZ 4.42Å; T362-F407 WeakPolarHBondContact OG1-CE1 3.32Å; T362-F407 VanDerWaalsContact OG1-CZ 3.24Å; T362-F407 WeakPolarHBondContact OG1-CZ 3.28Å; R377-F407 HydrophobicContact CB-CD1 3.89Å; R377-F407 HydrophobicContact CB-CE1 4.39Å; A378-F407 VanDerWaalsContact C-CD1 3.48Å; A379-F407 HydrophobicContact CB-CB 4.34Å; A379-F407 HydrophobicContact CB-CD1 3.61Å; A379-F407 HydrophobicContact CB-CD2 4.21Å; A379-F407 HydrophobicContact CB-CE1 3.81Å; A379-F407 HydrophobicContact CB-CE2 4.41Å; A379-F407 HydrophobicContact CB-CG 3.81Å; A379-F407 HydrophobicContact CB-CZ 4.2Å; A402-F407 HydrophobicContact CB-CB 4.34Å; A402-F407 HydrophobicContact CB-CD2 4.01Å; A402-F407 HydrophobicContact CB-CG 4.45Å; A402-F407 WeakPolarHBondContact O-CB 3.39Å; A402-F407 VanDerWaalsContact O-CD2 3.25Å; A402-F407 WeakPolarHBondContact O-CD2 3.4Å; A402-F407 PolarHBondContact O-N 3.02Å; A402-F407 VanDerWaalsContact O-N 3.11Å; K405-F407 HydrophobicContact CB-CD2 3.91Å; K405-F407 HydrophobicContact CB-CE2 3.93Å
408	D	97.6	Very high	97.1	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.032	14%	0.143	C	C	.	.	S	Bend	trans	-91.4	-32	-177.2	-61.8	-56.7	0	0	0	112	L261 N262 K265 L266 L376 R377	L261-D408 WeakPolarHBondContact CA-O 3.41Å; L261-D408 WeakPolarHBondContact CB-O 3.2Å; L261-D408 PolarHBondContact N-O 3.31Å; N262-D408 HydrophobicContact CB-CB 4.18Å; N262-D408 PolarHBondContact N-O 2.91Å; N262-D408 PolarHBondContact ND2-OD1 3.11Å; K265-D408 WeakPolarHBondContact CD-OD1 3.27Å; K265-D408 IonicContact NZ-OD1 3.56Å; K265-D408 PolarHBondContact NZ-OD1 2.9Å; K265-D408 IonicContact NZ-OD2 2.96Å; K265-D408 PolarHBondContact NZ-OD2 2.97Å; L266-D408 WeakPolarHBondContact CD1-O 3.27Å; L266-D408 HydrophobicContact CD2-CB 4.15Å; L376-D408 WeakPolarHBondContact CA-OD2 3.17Å; L376-D408 HydrophobicContact CD2-CB 4.11Å; R377-D408 PolarHBondContact N-OD2 2.82Å; R377-D408 PolarHBondContact O-N 3.35Å
409	V	96.7	Very high	97	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	147.2	-179.8	63.9	0	0	0	0	109.9	H258 R259 L266 Y271 A378 A379	H258-V409 HydrophobicContact CB-CG2 3.99Å; R259-V409 WeakPolarHBondContact O-CA 3.3Å; L266-V409 HydrophobicContact CD1-CB 4.09Å; L266-V409 HydrophobicContact CD1-CG2 4.47Å; L266-V409 HydrophobicContact CD2-CB 4.28Å; Y271-V409 HydrophobicContact CE1-CG2 4.46Å; Y271-V409 HydrophobicContact CE2-CG1 4.42Å; A378-V409 WeakPolarHBondContact CA-O 3.32Å; A378-V409 HydrophobicContact CB-CG1 3.54Å; A379-V409 PolarHBondContact N-O 2.9Å
410	F	98	Very high	96.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.8	170.5	-158.9	-77.4	0	0	0	109.6	H258 R259 L261 F360 A379 L381 M395 T398 L399 A402 F427	H258-F410 CarbonylContact C-O 3.59Å; H258-F410 WeakPolarHBondContact CA-O 3.38Å; R259-F410 HydrophobicContact CB-CB 4.15Å; R259-F410 PolarHBondContact N-O 3.27Å; R259-F410 PolarHBondContact O-N 3.06Å; L261-F410 HydrophobicContact CD1-CB 4.17Å; L261-F410 HydrophobicContact CG-CB 4.36Å; F360-F410 HydrophobicContact CB-CE2 4.21Å; F360-F410 HydrophobicContact CB-CZ 3.99Å; F360-F410 AromaticContact CD1-CE2 3.96Å; F360-F410 HydrophobicContact CD1-CE2 3.96Å; F360-F410 HydrophobicContact CD1-CZ 4.17Å; F360-F410 HydrophobicContact CD2-CE2 4.39Å; F360-F410 HydrophobicContact CE1-CE2 4.43Å; F360-F410 AromaticContact CG-CE2 3.93Å; F360-F410 HydrophobicContact CG-CE2 3.93Å; F360-F410 HydrophobicContact CG-CZ 4.16Å; A379-F410 HydrophobicContact CB-CD2 3.46Å; A379-F410 VanDerWaalsContact CB-CD2 3.46Å; A379-F410 HydrophobicContact CB-CE2 3.73Å; A379-F410 HydrophobicContact CB-CG 4.19Å; A379-F410 CarbonylContact O-C 3.43Å; A379-F410 VanDerWaalsContact O-CA 3.3Å; A379-F410 WeakPolarHBondContact O-CA 3.47Å; L381-F410 HydrophobicContact CB-CE1 3.97Å; L381-F410 HydrophobicContact CB-CZ 4.48Å; L381-F410 HydrophobicContact CD1-CE1 4.45Å; L381-F410 HydrophobicContact CD1-CZ 4.39Å; M395-F410 HydrophobicContact CE-CE1 3.75Å; M395-F410 HydrophobicContact CE-CZ 4Å; T398-F410 HydrophobicContact CG2-CE2 3.85Å; T398-F410 HydrophobicContact CG2-CZ 3.88Å; L399-F410 HydrophobicContact CD2-CB 3.53Å; L399-F410 HydrophobicContact CD2-CD1 4.02Å; L399-F410 HydrophobicContact CD2-CD2 3.88Å; L399-F410 HydrophobicContact CD2-CG 3.55Å; A402-F410 HydrophobicContact CB-CD2 3.76Å; A402-F410 HydrophobicContact CB-CE2 4.06Å; F410-F427 AromaticContact CD1-CE1 3.93Å; F410-F427 HydrophobicContact CD1-CE1 3.93Å; F410-F427 AromaticContact CD1-CZ 3.81Å; F410-F427 HydrophobicContact CD1-CZ 3.81Å; F410-F427 HydrophobicContact CE1-CZ 4.48Å
411	C	96.5	Very high	96.8	Very high	4 Å²	4	30 Å²	30	3%	0.027	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.2	-175.9	-63.1	0	0	0	0	110.1	W257 H258 A379 C380 L381	W257-C411 VanDerWaalsContact O-CA 3.28Å; W257-C411 WeakPolarHBondContact O-CA 3.33Å; H258-C411 PolarHBondContact ND1-SG 2.86Å; H258-C411 VanDerWaalsContact ND1-SG 3.45Å; A379-C411 PolarHBondContact O-N 3.01Å; C380-C411 WeakPolarHBondContact CA-O 3.4Å; C380-C411 HydrophobicContact CB-CB 4.48Å; L381-C411 PolarHBondContact N-O 2.86Å
412	A	97.3	Very high	96.7	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.033	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	155.3	173	0	0	0	0	0	110	W257 L381 L422 F427	W257-A412 PolarHBondContact N-O 2.88Å; W257-A412 PolarHBondContact O-N 3.42Å; L381-A412 HydrophobicContact CB-CB 4.02Å; L381-A412 HydrophobicContact CD2-CB 4.08Å; A412-L422 HydrophobicContact CB-CD2 3.87Å; A412-F427 HydrophobicContact CB-CE1 4.08Å
413	L	97.1	Very high	96.5	Very high	26 Å²	26	34.7 Å²	34.7	14%	0.136	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	150.9	168.7	-65.5	176.6	0	0	0	109.4	C254 S255 Q256 M415 N418 V434	C254-L413 HydrophobicContact CB-CB 4.18Å; C254-L413 HydrophobicContact CB-CD1 4.42Å; C254-L413 HydrophobicContact CB-CD2 4.34Å; S255-L413 WeakPolarHBondContact O-CA 3.2Å; Q256-L413 HydrophobicContact CB-CD2 4.16Å; L413-M415 HydrophobicContact CB-CB 4.39Å; L413-M415 HydrophobicContact CB-CG 3.84Å; L413-M415 HydrophobicContact CB-SD 3.85Å; L413-M415 HydrophobicContact CD1-SD 3.71Å; L413-M415 HydrophobicContact CG-SD 4.38Å; L413-M415 PolarHBondContact O-N 2.88Å; L413-N418 WeakPolarHBondContact O-CB 3.31Å; L413-N418 PolarHBondContact O-ND2 2.8Å; L413-V434 HydrophobicContact CD1-CB 4.36Å; L413-V434 HydrophobicContact CD1-CG2 4.44Å; L413-V434 HydrophobicContact CD2-CB 4.2Å; L413-V434 HydrophobicContact CD2-CG2 3.81Å
414	D	96.5	Very high	96.5	Very high	19 Å²	19	37.8 Å²	37.8	10%	0.102	21%	0.21	C	C	.	.	S	Bend	trans	-73.7	27.4	172.4	59.2	5	0	0	0	114.3	C254 S255 M419 L422 P448	C254-D414 VanDerWaalsContact C-OD1 3.3Å; C254-D414 WeakPolarHBondContact CA-OD1 3.42Å; C254-D414 VanDerWaalsContact CB-OD1 3.28Å; C254-D414 WeakPolarHBondContact CB-OD1 3.32Å; S255-D414 WeakPolarHBondContact CB-OD2 3.17Å; S255-D414 PolarHBondContact N-OD1 3.26Å; S255-D414 PolarHBondContact N-OD2 2.96Å; S255-D414 VanDerWaalsContact N-OD2 3.08Å; S255-D414 PolarHBondContact O-N 3.24Å; S255-D414 VanDerWaalsContact O-N 3.15Å; S255-D414 PolarHBondContact OG-OD2 3.49Å; D414-M419 HydrophobicContact CB-CG 3.89Å; D414-M419 HydrophobicContact CB-SD 3.58Å; D414-M419 VanDerWaalsContact CB-SD 3.58Å; D414-L422 HydrophobicContact CB-CD1 4.19Å; D414-P448 WeakPolarHBondContact O-CB 3.49Å
415	M	95.9	Very high	96.5	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	18%	0.181	C	C	.	.			trans	-89	170.9	175.7	70	-170.3	-76.9	0	0	112.2	L413 N418 P448 V451 S452 V454	L413-M415 HydrophobicContact CB-CB 4.39Å; L413-M415 HydrophobicContact CB-CG 3.84Å; L413-M415 HydrophobicContact CB-SD 3.85Å; L413-M415 HydrophobicContact CD1-SD 3.71Å; L413-M415 HydrophobicContact CG-SD 4.38Å; L413-M415 PolarHBondContact O-N 2.88Å; M415-N418 WeakPolarHBondContact O-CB 3.21Å; M415-N418 PolarHBondContact O-N 2.79Å; M415-N418 VanDerWaalsContact O-N 3.14Å; M415-N418 PolarHBondContact O-ND2 3.22Å; M415-N418 VanDerWaalsContact O-ND2 3.17Å; M415-P448 VanDerWaalsContact CA-O 3.24Å; M415-P448 WeakPolarHBondContact CA-O 3.27Å; M415-V451 HydrophobicContact CB-CB 4.41Å; M415-V451 HydrophobicContact CE-CB 4.34Å; M415-V451 HydrophobicContact CE-CG1 3.82Å; M415-V451 WeakPolarHBondContact CE-O 3.25Å; M415-S452 VanDerWaalsContact CE-C 3.5Å; M415-V454 HydrophobicContact CE-CG2 3.61Å; M415-V454 HydrophobicContact SD-CG2 3.74Å
416	M	95.6	Very high	96.4	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.034	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	-142.6	-175	-57.3	179.7	-85.8	0	0	110.9	F320 Y383 N418 P448 D449 V451 V454	F320-M416 HydrophobicContact CD1-CG 4.48Å; F320-M416 HydrophobicContact CE1-CB 3.83Å; F320-M416 HydrophobicContact CE1-CG 4.04Å; F320-M416 HydrophobicContact CE2-CG 4.32Å; F320-M416 HydrophobicContact CZ-CB 3.8Å; F320-M416 HydrophobicContact CZ-CG 3.95Å; Y383-M416 HydrophobicContact CD1-CE 4.11Å; Y383-M416 HydrophobicContact CD1-SD 3.85Å; Y383-M416 HydrophobicContact CE1-CE 4.33Å; Y383-M416 HydrophobicContact CE1-SD 3.98Å; M416-N418 VanDerWaalsContact C-N 3.25Å; M416-N418 PolarHBondContact O-N 3.19Å; M416-P448 PolarHBondContact N-O 3.15Å; M416-D449 WeakPolarHBondContact O-CA 3.28Å; M416-V451 WeakPolarHBondContact CG-O 3.39Å; M416-V451 PolarHBondContact N-O 2.85Å; M416-V451 VanDerWaalsContact N-O 3.09Å; M416-V454 HydrophobicContact CE-CG2 4.16Å
417	D	93.6	Very high	96.4	Very high	94 Å²	94	32.8 Å²	32.8	50%	0.503	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	14.7	176.4	-58.4	-56.2	0	0	0	113.3	M419 S420	D417-M419 VanDerWaalsContact C-N 3.28Å; D417-M419 PolarHBondContact O-N 3.07Å; D417-S420 VanDerWaalsContact O-CB 3.25Å; D417-S420 WeakPolarHBondContact O-CB 3.17Å; D417-S420 PolarHBondContact O-N 3.46Å; D417-S420 PolarHBondContact O-OG 3.32Å
418	N	96.9	Very high	96.1	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.032	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-33.7	-168.7	-67.9	-18.5	0	0	0	113.1	L413 M415 M416 S420 F421 L422	L413-N418 WeakPolarHBondContact O-CB 3.31Å; L413-N418 PolarHBondContact O-ND2 2.8Å; M415-N418 WeakPolarHBondContact O-CB 3.21Å; M415-N418 PolarHBondContact O-N 2.79Å; M415-N418 VanDerWaalsContact O-N 3.14Å; M415-N418 PolarHBondContact O-ND2 3.22Å; M415-N418 VanDerWaalsContact O-ND2 3.17Å; M416-N418 VanDerWaalsContact C-N 3.25Å; M416-N418 PolarHBondContact O-N 3.19Å; N418-S420 PolarHBondContact O-N 3.1Å; N418-F421 HydrophobicContact CB-CE1 3.72Å; N418-F421 HydrophobicContact CB-CZ 3.77Å; N418-F421 VanDerWaalsContact O-CD1 3.25Å; N418-F421 WeakPolarHBondContact O-CD1 3.49Å; N418-F421 WeakPolarHBondContact O-CG 3.42Å; N418-F421 PolarHBondContact O-N 2.94Å; N418-F421 WeakPolarHBondContact OD1-CE1 3.35Å; N418-L422 HydrophobicContact CB-CD1 4.22Å; N418-L422 HydrophobicContact CB-CG 4.43Å; N418-L422 VanDerWaalsContact O-CG 3.32Å; N418-L422 WeakPolarHBondContact O-CG 3.37Å; N418-L422 PolarHBondContact O-N 2.85Å; N418-L422 VanDerWaalsContact O-N 3.16Å
419	M	96.4	Very high	95.9	Very high	85 Å²	85	38.4 Å²	38.4	42%	0.419	19%	0.193	S	C	.	.	H	α-helix	trans	-52.6	-27.9	176.3	-77.8	-61	-66.1	0	0	113.3	W257 D414 D417 F421 L422	W257-M419 HydrophobicContact CZ2-CE 4.33Å; W257-M419 HydrophobicContact CZ2-SD 4.04Å; D414-M419 HydrophobicContact CB-CG 3.89Å; D414-M419 HydrophobicContact CB-SD 3.58Å; D414-M419 VanDerWaalsContact CB-SD 3.58Å; D417-M419 VanDerWaalsContact C-N 3.28Å; D417-M419 PolarHBondContact O-N 3.07Å; M419-F421 PolarHBondContact O-N 2.78Å; M419-L422 HydrophobicContact SD-CD1 3.85Å
420	S	95.4	Very high	95.4	Very high	44 Å²	44	38.9 Å²	38.9	31%	0.308	20%	0.196	S	C	.	.	H	α-helix	trans	-63.2	-22	179	70.8	0	0	0	0	114.6	V391 D417 N418 K424	V391-S420 VanDerWaalsContact CG1-OG 3.23Å; V391-S420 WeakPolarHBondContact CG1-OG 3.39Å; D417-S420 VanDerWaalsContact O-CB 3.25Å; D417-S420 WeakPolarHBondContact O-CB 3.17Å; D417-S420 PolarHBondContact O-N 3.46Å; D417-S420 PolarHBondContact O-OG 3.32Å; N418-S420 PolarHBondContact O-N 3.1Å; S420-K424 WeakPolarHBondContact O-CD 3.47Å; S420-K424 VanDerWaalsContact O-CE 3.28Å; S420-K424 WeakPolarHBondContact O-CE 3.48Å; S420-K424 PolarHBondContact O-NZ 2.98Å
421	F	97	Very high	94.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-118.7	-23	179.8	70.6	-104.8	0	0	0	114.5	L381 V391 A392 M395 N418 M419 E423 K424 L425 F427	L381-F421 HydrophobicContact CD2-CE1 4.42Å; L381-F421 HydrophobicContact CD2-CZ 3.74Å; V391-F421 HydrophobicContact CG2-CD1 3.81Å; V391-F421 HydrophobicContact CG2-CE1 4.27Å; A392-F421 HydrophobicContact CB-CB 4.23Å; M395-F421 HydrophobicContact CB-CD2 4.08Å; M395-F421 HydrophobicContact CB-CE2 4.39Å; M395-F421 HydrophobicContact CB-CG 4.17Å; M395-F421 HydrophobicContact CE-CE2 3.94Å; M395-F421 HydrophobicContact CE-CZ 3.97Å; M395-F421 HydrophobicContact CG-CD1 3.77Å; M395-F421 HydrophobicContact CG-CD2 3.98Å; M395-F421 HydrophobicContact CG-CE1 3.71Å; M395-F421 HydrophobicContact CG-CE2 3.97Å; M395-F421 HydrophobicContact CG-CG 3.9Å; M395-F421 HydrophobicContact CG-CZ 3.85Å; M395-F421 HydrophobicContact SD-CE1 4.37Å; M395-F421 HydrophobicContact SD-CZ 4.19Å; N418-F421 HydrophobicContact CB-CE1 3.72Å; N418-F421 HydrophobicContact CB-CZ 3.77Å; N418-F421 VanDerWaalsContact O-CD1 3.25Å; N418-F421 WeakPolarHBondContact O-CD1 3.49Å; N418-F421 WeakPolarHBondContact O-CG 3.42Å; N418-F421 PolarHBondContact O-N 2.94Å; N418-F421 WeakPolarHBondContact OD1-CE1 3.35Å; M419-F421 PolarHBondContact O-N 2.78Å; F421-E423 PolarHBondContact O-N 3.18Å; F421-K424 PolarHBondContact O-N 2.84Å; F421-L425 HydrophobicContact CB-CD1 4.08Å; F421-L425 HydrophobicContact CB-CG 4.35Å; F421-L425 HydrophobicContact CD2-CD1 4.01Å; F421-L425 HydrophobicContact CG-CD1 4.39Å; F421-L425 WeakPolarHBondContact O-CB 3.45Å; F421-L425 WeakPolarHBondContact O-CG 3.45Å; F421-L425 PolarHBondContact O-N 3.08Å; F421-F427 HydrophobicContact CD2-CE2 4.25Å; F421-F427 HydrophobicContact CE2-CE2 4.12Å; F421-F427 HydrophobicContact CE2-CZ 4.28Å
422	L	97.1	Very high	94.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-54.3	-56.1	-171.3	-74.2	170.7	0	0	0	112.5	W257 A412 D414 N418 M419 L425 K426 F427	W257-L422 HydrophobicContact CB-CD1 4.36Å; W257-L422 HydrophobicContact CB-CD2 3.86Å; W257-L422 HydrophobicContact CD2-CB 4.36Å; W257-L422 HydrophobicContact CD2-CD1 3.98Å; W257-L422 HydrophobicContact CE3-CB 4.2Å; W257-L422 HydrophobicContact CG-CD1 3.82Å; W257-L422 HydrophobicContact CG-CD2 4.17Å; W257-L422 HydrophobicContact CG-CG 4.47Å; A412-L422 HydrophobicContact CB-CD2 3.87Å; D414-L422 HydrophobicContact CB-CD1 4.19Å; N418-L422 HydrophobicContact CB-CD1 4.22Å; N418-L422 HydrophobicContact CB-CG 4.43Å; N418-L422 VanDerWaalsContact O-CG 3.32Å; N418-L422 WeakPolarHBondContact O-CG 3.37Å; N418-L422 PolarHBondContact O-N 2.85Å; N418-L422 VanDerWaalsContact O-N 3.16Å; M419-L422 HydrophobicContact SD-CD1 3.85Å; L422-L425 PolarHBondContact O-N 3.4Å; L422-K426 PolarHBondContact O-N 3.36Å; L422-F427 HydrophobicContact CB-CB 4.16Å; L422-F427 HydrophobicContact CD2-CB 3.84Å; L422-F427 HydrophobicContact CD2-CD1 3.61Å; L422-F427 HydrophobicContact CD2-CD2 3.97Å; L422-F427 HydrophobicContact CD2-CE1 4.11Å; L422-F427 HydrophobicContact CD2-CE2 4.44Å; L422-F427 HydrophobicContact CD2-CG 3.53Å; L422-F427 HydrophobicContact CD2-CZ 4.5Å; L422-F427 VanDerWaalsContact O-CB 3.32Å; L422-F427 WeakPolarHBondContact O-CB 3.23Å; L422-F427 WeakPolarHBondContact O-CD2 3.4Å; L422-F427 PolarHBondContact O-N 3.1Å
423	E	94.4	Very high	93.8	Very high	134 Å²	134	48.9 Å²	48.9	63%	0.626	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-43.3	-179.5	-64.3	-173	163.1	0	0	112.1	W257 F421 L425 K426	W257-E423 HydrophobicContact CH2-CG 4.16Å; W257-E423 HydrophobicContact CZ3-CG 4.26Å; F421-E423 PolarHBondContact O-N 3.18Å; E423-L425 PolarHBondContact O-N 3.31Å; E423-K426 PolarHBondContact O-N 3.13Å
424	K	96.4	Very high	93.7	Very high	154 Å²	154	49.2 Å²	49.2	67%	0.67	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-39.7	179.4	-64.6	-179	-172.7	156	0	111.7	S420 F421 K426	S420-K424 WeakPolarHBondContact O-CD 3.47Å; S420-K424 VanDerWaalsContact O-CE 3.28Å; S420-K424 WeakPolarHBondContact O-CE 3.48Å; S420-K424 PolarHBondContact O-NZ 2.98Å; F421-K424 PolarHBondContact O-N 2.84Å; K424-K426 VanDerWaalsContact C-N 3.29Å; K424-K426 PolarHBondContact O-N 3.19Å
425	L	97.3	Very high	93.7	Very high	14 Å²	14	48.7 Å²	48.7	7%	0.073	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	14.1	179.5	-60.1	-174.9	0	0	0	112.9	R259 M395 Q396 L399 F421 L422 E423 F427	R259-L425 WeakPolarHBondContact CD-O 3.2Å; R259-L425 PolarHBondContact NE-O 3.47Å; M395-L425 HydrophobicContact CB-CD1 3.43Å; M395-L425 VanDerWaalsContact CB-CD1 3.43Å; Q396-L425 HydrophobicContact CB-CD2 4Å; L399-L425 HydrophobicContact CD1-CB 4.29Å; L399-L425 HydrophobicContact CD1-CD1 4.28Å; F421-L425 HydrophobicContact CB-CD1 4.08Å; F421-L425 HydrophobicContact CB-CG 4.35Å; F421-L425 HydrophobicContact CD2-CD1 4.01Å; F421-L425 HydrophobicContact CG-CD1 4.39Å; F421-L425 WeakPolarHBondContact O-CB 3.45Å; F421-L425 WeakPolarHBondContact O-CG 3.45Å; F421-L425 PolarHBondContact O-N 3.08Å; L422-L425 PolarHBondContact O-N 3.4Å; E423-L425 PolarHBondContact O-N 3.31Å; L425-F427 VanDerWaalsContact C-N 3.3Å; L425-F427 HydrophobicContact CB-CD2 4.01Å; L425-F427 HydrophobicContact CB-CE2 4.01Å; L425-F427 PolarHBondContact O-N 3.18Å
426	K	95.2	Very high	93.8	Very high	77 Å²	77	48.7 Å²	48.7	34%	0.335	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	34.7	172.8	-47.6	164.5	-177.6	168.7	0	113.2	R259 F286 L422 E423 K424	R259-K426 VanDerWaalsContact CD-O 3.32Å; R259-K426 WeakPolarHBondContact CD-O 3.4Å; R259-K426 PolarHBondContact NH1-O 3.08Å; F286-K426 HydrophobicContact CD1-CD 4.37Å; F286-K426 HydrophobicContact CE1-CB 3.86Å; F286-K426 HydrophobicContact CE1-CD 3.96Å; F286-K426 HydrophobicContact CE1-CG 4.16Å; F286-K426 HydrophobicContact CE2-CD 4.22Å; F286-K426 HydrophobicContact CE2-CG 4.5Å; F286-K426 HydrophobicContact CZ-CB 3.96Å; F286-K426 HydrophobicContact CZ-CD 3.88Å; F286-K426 HydrophobicContact CZ-CG 3.86Å; F286-K426 WeakPolarHBondContact O-CD 3.36Å; F286-K426 PolarHBondContact O-NZ 3.2Å; L422-K426 PolarHBondContact O-N 3.36Å; E423-K426 PolarHBondContact O-N 3.13Å; K424-K426 VanDerWaalsContact C-N 3.29Å; K424-K426 PolarHBondContact O-N 3.19Å
427	F	95.6	Very high	93.9	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.035	25%	0.247	C	C	.	.			trans	-69.4	147.4	161.5	-74.2	-109.3	0	0	0	109.1	W257 H258 R259 L399 F410 A412 F421 L422 L425	W257-F427 HydrophobicContact CB-CB 4.12Å; W257-F427 HydrophobicContact CB-CD1 4.09Å; W257-F427 HydrophobicContact CE3-CB 3.86Å; H258-F427 CarbonylContact O-C 3.58Å; H258-F427 WeakPolarHBondContact O-CA 3.19Å; R259-F427 HydrophobicContact CB-CD1 3.56Å; R259-F427 HydrophobicContact CB-CD2 3.92Å; R259-F427 HydrophobicContact CB-CE1 3.45Å; R259-F427 VanDerWaalsContact CB-CE1 3.45Å; R259-F427 HydrophobicContact CB-CE2 3.82Å; R259-F427 HydrophobicContact CB-CG 3.79Å; R259-F427 HydrophobicContact CB-CZ 3.58Å; R259-F427 HydrophobicContact CG-CD2 4.26Å; R259-F427 HydrophobicContact CG-CE1 4.48Å; R259-F427 HydrophobicContact CG-CE2 4.04Å; R259-F427 HydrophobicContact CG-CZ 4.15Å; L399-F427 HydrophobicContact CD1-CE2 4.15Å; L399-F427 HydrophobicContact CD2-CE2 4.34Å; L399-F427 HydrophobicContact CD2-CZ 3.98Å; F410-F427 AromaticContact CD1-CE1 3.93Å; F410-F427 HydrophobicContact CD1-CE1 3.93Å; F410-F427 AromaticContact CD1-CZ 3.81Å; F410-F427 HydrophobicContact CD1-CZ 3.81Å; F410-F427 HydrophobicContact CE1-CZ 4.48Å; A412-F427 HydrophobicContact CB-CE1 4.08Å; F421-F427 HydrophobicContact CD2-CE2 4.25Å; F421-F427 HydrophobicContact CE2-CE2 4.12Å; F421-F427 HydrophobicContact CE2-CZ 4.28Å; L422-F427 HydrophobicContact CB-CB 4.16Å; L422-F427 HydrophobicContact CD2-CB 3.84Å; L422-F427 HydrophobicContact CD2-CD1 3.61Å; L422-F427 HydrophobicContact CD2-CD2 3.97Å; L422-F427 HydrophobicContact CD2-CE1 4.11Å; L422-F427 HydrophobicContact CD2-CE2 4.44Å; L422-F427 HydrophobicContact CD2-CG 3.53Å; L422-F427 HydrophobicContact CD2-CZ 4.5Å; L422-F427 VanDerWaalsContact O-CB 3.32Å; L422-F427 WeakPolarHBondContact O-CB 3.23Å; L422-F427 WeakPolarHBondContact O-CD2 3.4Å; L422-F427 PolarHBondContact O-N 3.1Å; L425-F427 VanDerWaalsContact C-N 3.3Å; L425-F427 HydrophobicContact CB-CD2 4.01Å; L425-F427 HydrophobicContact CB-CE2 4.01Å; L425-F427 PolarHBondContact O-N 3.18Å
428	T	92.5	Very high	94.1	Very high	46 Å²	46	44.4 Å²	44.4	28%	0.282	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.8	174.5	55.2	0	0	0	0	109.7	W257 H258	W257-T428 WeakPolarHBondContact CA-O 3.39Å; H258-T428 PolarHBondContact N-O 3.37Å; H258-T428 PolarHBondContact O-N 3.28Å; H258-T428 PolarHBondContact O-OG1 2.78Å
429	I	91.8	Very high	94.1	Very high	81 Å²	81	45.3 Å²	45.3	42%	0.415	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	136.6	174	-165.8	165.2	0	0	0	110.7	W257	W257-I429 HydrophobicContact CD2-CB 4.02Å; W257-I429 HydrophobicContact CD2-CG1 4.49Å; W257-I429 HydrophobicContact CE3-CB 4.16Å; W257-I429 VanDerWaalsContact CE3-N 3.28Å; W257-I429 HydrophobicContact CH2-CB 4.12Å; W257-I429 HydrophobicContact CZ2-CB 3.96Å; W257-I429 HydrophobicContact CZ2-CD1 4.08Å; W257-I429 HydrophobicContact CZ2-CG1 4.28Å; W257-I429 HydrophobicContact CZ3-CB 4.21Å
430	S	86.5	Confident	94.1	Very high	12 Å²	12	41.8 Å²	41.8	8%	0.084	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	160.9	169	156.7	0	0	0	0	109.9	Q256 H258 K432	Q256-S430 PolarHBondContact O-N 2.92Å; H258-S430 WeakPolarHBondContact CD2-CB 3.42Å; H258-S430 WeakPolarHBondContact NE2-CB 3.45Å; H258-S430 PolarHBondContact NE2-OG 2.69Å; S430-K432 PolarHBondContact O-N 3.27Å; S430-K432 WeakPolarHBondContact OG-CB 3.2Å; S430-K432 PolarHBondContact OG-N 3.38Å
431	D	82.6	Confident	94.2	Very high	118 Å²	118	40.2 Å²	40.2	63%	0.631	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	-4.2	166.9	59.7	-26	0	0	0	114.6
432	K	86	Confident	94.1	Very high	61 Å²	61	43.5 Å²	43.5	27%	0.265	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.1	179.4	-62.8	-174.4	-179.1	-166.2	0	111	E143 Q256 S430	E143-K432 WeakPolarHBondContact OE2-CE 3.37Å; E143-K432 IonicContact OE2-NZ 2.78Å; E143-K432 PolarHBondContact OE2-NZ 3.11Å; Q256-K432 HydrophobicContact CB-CB 4.27Å; Q256-K432 WeakPolarHBondContact CB-O 3.04Å; Q256-K432 PolarHBondContact N-O 2.85Å; S430-K432 PolarHBondContact O-N 3.27Å; S430-K432 WeakPolarHBondContact OG-CB 3.2Å; S430-K432 PolarHBondContact OG-N 3.38Å
433	S	91	Very high	94.1	Very high	38 Å²	38	43.7 Å²	43.7	27%	0.266	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	154.3	170.8	-61	0	0	0	0	110.1	G244 C254	G244-S433 WeakPolarHBondContact CA-O 3.42Å; C254-S433 CarbonylContact O-C 3.54Å; C254-S433 VanDerWaalsContact O-CA 3.28Å; C254-S433 WeakPolarHBondContact O-CA 3.36Å
434	V	94.1	Very high	94.2	Very high	33 Å²	33	38.9 Å²	38.9	20%	0.2	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.9	173	179.6	0	0	0	0	107.5	A242 C254 L413 Y436	A242-V434 HydrophobicContact CB-CG1 3.71Å; C254-V434 PolarHBondContact N-O 3.12Å; C254-V434 PolarHBondContact O-N 2.99Å; L413-V434 HydrophobicContact CD1-CB 4.36Å; L413-V434 HydrophobicContact CD1-CG2 4.44Å; L413-V434 HydrophobicContact CD2-CB 4.2Å; L413-V434 HydrophobicContact CD2-CG2 3.81Å; V434-Y436 HydrophobicContact CG1-CE2 4.06Å
435	H	96.3	Very high	94.1	Very high	9 Å²	9	37.2 Å²	37.2	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.6	-178.5	-56.8	-67.2	0	0	0	109.7	A242 A243 V246 P250 S253 Y437	A242-H435 CarbonylContact C-O 3.47Å; A242-H435 WeakPolarHBondContact CA-O 3.23Å; A242-H435 WeakPolarHBondContact CB-O 3.41Å; A243-H435 PolarHBondContact N-O 2.87Å; A243-H435 PolarHBondContact O-CD2 3.35Å; A243-H435 PolarHBondContact O-N 3.42Å; V246-H435 WeakPolarHBondContact CG2-NE2 3.45Å; P250-H435 HydrophobicContact CB-CB 3.99Å; S253-H435 VanDerWaalsContact CB-ND1 3.33Å; S253-H435 WeakPolarHBondContact CB-ND1 3.39Å; S253-H435 PolarHBondContact OG-ND1 3.45Å; H435-Y437 HydrophobicContact CB-CE2 3.51Å; H435-Y437 WeakPolarHBondContact CB-OH 3.37Å; H435-Y437 VanDerWaalsContact O-CD2 3.3Å; H435-Y437 WeakPolarHBondContact O-CD2 3.24Å; H435-Y437 WeakPolarHBondContact O-CE2 3.42Å
436	Y	97.6	Very high	94	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	140.8	-179.9	-74.4	-94.2	0	0	0	111	A242 P250 I251 S252 C254 L322 V434 V451 L453 L455	A242-Y436 HydrophobicContact CB-CD1 4.39Å; A242-Y436 HydrophobicContact CB-CE1 4.43Å; P250-Y436 CarbonylContact C-O 3.46Å; P250-Y436 VanDerWaalsContact CA-O 3.27Å; P250-Y436 WeakPolarHBondContact CA-O 3.31Å; I251-Y436 WeakPolarHBondContact CG1-O 3.28Å; I251-Y436 PolarHBondContact N-O 3.22Å; S252-Y436 PolarHBondContact O-N 3.17Å; C254-Y436 HydrophobicContact CB-CE2 4.47Å; L322-Y436 HydrophobicContact CD2-CD1 4.34Å; V434-Y436 HydrophobicContact CG1-CE2 4.06Å; Y436-V451 HydrophobicContact CD1-CG1 4.39Å; Y436-V451 HydrophobicContact CD2-CG1 4.25Å; Y436-V451 HydrophobicContact CE1-CG1 4.28Å; Y436-V451 HydrophobicContact CE2-CG1 4.11Å; Y436-V451 HydrophobicContact CG-CG1 4.38Å; Y436-L453 WeakPolarHBondContact CE1-O 3.39Å; Y436-L453 PolarHBondContact OH-O 3.02Å; Y436-L455 HydrophobicContact CD1-CD1 4.45Å; Y436-L455 HydrophobicContact CE1-CD1 4.12Å; Y436-L455 HydrophobicContact CE1-CG 4.26Å
437	Y	97.6	Very high	94.1	Very high	1 Å²	1	36 Å²	36	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.6	-175.4	-59.3	-84.4	0	0	0	111.5	V240 Y241 A243 T245 L247 P250 H435	V240-Y437 WeakPolarHBondContact CA-O 3.12Å; V240-Y437 WeakPolarHBondContact CG2-O 3.45Å; Y241-Y437 AromaticContact CD2-CD2 3.72Å; Y241-Y437 HydrophobicContact CD2-CD2 3.72Å; Y241-Y437 HydrophobicContact CD2-CG 4.02Å; Y241-Y437 VanDerWaalsContact CE1-CB 3.42Å; Y241-Y437 HydrophobicContact CE1-CG 4.35Å; Y241-Y437 HydrophobicContact CE2-CD1 4.28Å; Y241-Y437 AromaticContact CE2-CD2 3.47Å; Y241-Y437 HydrophobicContact CE2-CD2 3.47Å; Y241-Y437 VanDerWaalsContact CE2-CD2 3.47Å; Y241-Y437 HydrophobicContact CE2-CE2 4.35Å; Y241-Y437 AromaticContact CE2-CG 3.44Å; Y241-Y437 HydrophobicContact CE2-CG 3.44Å; Y241-Y437 VanDerWaalsContact CE2-CG 3.44Å; Y241-Y437 AromaticContact CZ-CG 3.63Å; Y241-Y437 PolarHBondContact N-O 2.78Å; Y241-Y437 PolarHBondContact O-N 3.35Å; A243-Y437 HydrophobicContact CB-CE2 4.05Å; T245-Y437 PolarHBondContact O-OH 3.14Å; L247-Y437 HydrophobicContact CB-CE1 3.84Å; L247-Y437 PolarHBondContact N-OH 2.67Å; L247-Y437 VanDerWaalsContact O-CE1 3.28Å; L247-Y437 WeakPolarHBondContact O-CE1 3.41Å; P250-Y437 HydrophobicContact CB-CD1 4.34Å; P250-Y437 HydrophobicContact CB-CE1 3.67Å; P250-Y437 HydrophobicContact CG-CE1 4.36Å; P250-Y437 VanDerWaalsContact N-CE1 3.31Å; H435-Y437 HydrophobicContact CB-CE2 3.51Å; H435-Y437 WeakPolarHBondContact CB-OH 3.37Å; H435-Y437 VanDerWaalsContact O-CD2 3.3Å; H435-Y437 WeakPolarHBondContact O-CD2 3.24Å; H435-Y437 WeakPolarHBondContact O-CE2 3.42Å
438	L	97.8	Very high	94.2	Very high	10 Å²	10	37.4 Å²	37.4	5%	0.052	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.7	166.5	-62.8	168.8	0	0	0	109.3	I195 L202 A239 V240 I251 W441	I195-L438 HydrophobicContact CD1-CD1 3.93Å; I195-L438 HydrophobicContact CD1-CD2 4.03Å; I195-L438 HydrophobicContact CG1-CD1 4.39Å; I195-L438 HydrophobicContact CG2-CD1 3.97Å; L202-L438 HydrophobicContact CD2-CD2 4.46Å; A239-L438 CarbonylContact O-C 3.59Å; A239-L438 WeakPolarHBondContact O-CA 3.36Å; V240-L438 HydrophobicContact CB-CD2 3.81Å; V240-L438 HydrophobicContact CG2-CD2 3.79Å; I251-L438 HydrophobicContact CD1-CD1 3.84Å; I251-L438 HydrophobicContact CD1-CG 3.8Å; L438-W441 HydrophobicContact CB-CB 3.93Å; L438-W441 HydrophobicContact CD1-CB 4.25Å; L438-W441 HydrophobicContact CD1-CG 4.18Å
439	Y	97.6	Very high	94.4	Very high	25 Å²	25	38.4 Å²	38.4	10%	0.098	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.7	171.4	-172.4	-90.1	0	0	0	109.4	Q83 P84 V85 T228 Q238 A239 W441	Q83-Y439 HydrophobicContact CB-CE2 4.23Å; Q83-Y439 PolarHBondContact OE1-OH 3.25Å; Q83-Y439 VanDerWaalsContact OE1-OH 3.11Å; P84-Y439 VanDerWaalsContact CD-OH 3.32Å; P84-Y439 WeakPolarHBondContact CD-OH 3.5Å; P84-Y439 HydrophobicContact CG-CD1 4.25Å; P84-Y439 HydrophobicContact CG-CE1 3.55Å; P84-Y439 HydrophobicContact CG-CE2 4.02Å; P84-Y439 VanDerWaalsContact CG-CZ 3.42Å; V85-Y439 HydrophobicContact CG1-CD2 4.15Å; T228-Y439 HydrophobicContact CG2-CE1 3.94Å; Q238-Y439 WeakPolarHBondContact CA-O 3.43Å; A239-Y439 PolarHBondContact N-O 3.13Å; A239-Y439 PolarHBondContact O-N 2.75Å; Y439-W441 PolarHBondContact O-N 3.46Å
440	N	96.9	Very high	94.7	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.053	20%	0.201	C	C	.	.	S	Bend	trans	51.1	38.4	-177	-164.1	19	0	0	0	114.4	P84 P97 V98 E99 Y237 Q238	P84-N440 HydrophobicContact CB-CB 4.04Å; P84-N440 HydrophobicContact CG-CB 3.97Å; P84-N440 WeakPolarHBondContact O-CA 3.33Å; P84-N440 PolarHBondContact O-N 2.85Å; P97-N440 WeakPolarHBondContact CA-O 3.3Å; V98-N440 PolarHBondContact N-OD1 2.91Å; E99-N440 PolarHBondContact N-OD1 3.42Å; E99-N440 PolarHBondContact O-ND2 2.96Å; E99-N440 PolarHBondContact O-OD1 2.95Å; E99-N440 VanDerWaalsContact O-OD1 3.12Å; Y237-N440 VanDerWaalsContact O-CB 3.28Å; Y237-N440 WeakPolarHBondContact O-CB 3.23Å; Q238-N440 WeakPolarHBondContact CG-O 3.15Å; Q238-N440 PolarHBondContact NE2-O 3Å
441	W	96.8	Very high	95.2	Very high	11 Å²	11	37 Å²	37	4%	0.042	20%	0.197	C	C	.	.			trans	-145.7	133.2	171.5	-167.3	-93.4	0	0	0	110	G96 I195 T198 K200 Q238 L438 Y439	G96-W441 VanDerWaalsContact C-CE3 3.49Å; G96-W441 CarbonylContact O-C 3.54Å; G96-W441 WeakPolarHBondContact O-CA 3.41Å; I195-W441 HydrophobicContact CD1-CD2 4.44Å; I195-W441 HydrophobicContact CD1-CG 4.28Å; T198-W441 HydrophobicContact CG2-CH2 3.68Å; T198-W441 HydrophobicContact CG2-CZ2 3.76Å; K200-W441 HydrophobicContact CD-CH2 4.42Å; K200-W441 HydrophobicContact CD-CZ3 4.22Å; K200-W441 VanDerWaalsContact CE-CH2 3.49Å; K200-W441 VanDerWaalsContact CE-CZ3 3.41Å; K200-W441 HydrophobicContact CG-CH2 4.26Å; K200-W441 HydrophobicContact CG-CZ3 4.33Å; Q238-W441 HydrophobicContact CG-CB 4.26Å; Q238-W441 HydrophobicContact CG-CE3 4.06Å; L438-W441 HydrophobicContact CB-CB 3.93Å; L438-W441 HydrophobicContact CD1-CB 4.25Å; L438-W441 HydrophobicContact CD1-CG 4.18Å; Y439-W441 PolarHBondContact O-N 3.46Å
442	K	95.4	Very high	95.9	Very high	69 Å²	69	31.4 Å²	31.4	30%	0.3	17%	0.167	S	C	.	.	B	Isolated β-bridge	trans	-111.4	137.7	173.3	69.5	-171.2	173.7	-167.4	0	109.4	T86 V92 H95 G96 V98	T86-K442 HydrophobicContact CG2-CB 3.74Å; V92-K442 HydrophobicContact CG1-CB 3.89Å; V92-K442 HydrophobicContact CG1-CG 4.2Å; H95-K442 WeakPolarHBondContact CA-O 3.36Å; G96-K442 PolarHBondContact N-O 3.1Å; G96-K442 VanDerWaalsContact N-O 3.1Å; G96-K442 WeakPolarHBondContact O-CG 3.47Å; G96-K442 PolarHBondContact O-N 3.32Å; V98-K442 HydrophobicContact CG2-CB 4.14Å
443	C	96.3	Very high	96.3	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.034	16%	0.155	C	C	.	.			trans	-154.7	165.8	171.6	64.1	0	0	0	0	108.7	T94 I195 Y196	T94-C443 WeakPolarHBondContact O-CA 3.43Å; I195-C443 HydrophobicContact CG2-CB 4.37Å; Y196-C443 HydrophobicContact CD2-CB 4.13Å; Y196-C443 HydrophobicContact CE2-CB 3.89Å
444	P	96.5	Very high	96.5	Very high	33 Å²	33	27.5 Å²	27.5	21%	0.214	15%	0.147	C	C	.	.			trans	-57.1	156.2	169	-21.4	33.1	0	0	0	111.9	V92 H95 Y196	V92-P444 WeakPolarHBondContact O-CA 3.4Å; H95-P444 WeakPolarHBondContact CE1-CD 3.17Å; H95-P444 WeakPolarHBondContact NE2-CD 3.49Å; Y196-P444 PolarHBondContact OH-O 3.24Å; Y196-P444 VanDerWaalsContact OH-O 3.07Å
445	L	95.5	Very high	96.3	Very high	118 Å²	118	26.6 Å²	26.6	62%	0.618	14%	0.141	S	C	*	.			trans	-68.5	150	172.1	-55.5	-177.6	0	0	0	109.8	Y196 T249 P250	Y196-L445 PolarHBondContact OH-O 3.43Å; T249-L445 HydrophobicContact CG2-CD2 4.46Å; P250-L445 WeakPolarHBondContact O-CD2 3.38Å
446	M	95.4	Very high	95.6	Very high	14 Å²	14	26.4 Å²	26.4	7%	0.069	14%	0.14	C	C	.	.			trans	-127	144.3	179.4	66.6	-170.3	70.1	0	0	111.4	Y196 I251 S252 H321 L322 K450 V451	Y196-M446 HydrophobicContact CD2-CE 4.42Å; Y196-M446 HydrophobicContact CE2-CE 3.72Å; I251-M446 HydrophobicContact CD1-CE 3.99Å; I251-M446 HydrophobicContact CD1-SD 4.49Å; I251-M446 PolarHBondContact O-N 2.86Å; S252-M446 VanDerWaalsContact CB-O 3.31Å; S252-M446 WeakPolarHBondContact CB-O 3.15Å; S252-M446 PolarHBondContact OG-O 2.67Å; H321-M446 HydrophobicContact CB-CE 4.3Å; H321-M446 HydrophobicContact CB-SD 4.2Å; L322-M446 HydrophobicContact CB-CE 4.13Å; L322-M446 HydrophobicContact CB-SD 3.53Å; L322-M446 VanDerWaalsContact CB-SD 3.53Å; L322-M446 HydrophobicContact CD2-SD 4.49Å; M446-K450 HydrophobicContact CB-CB 4.22Å; M446-V451 HydrophobicContact CG-CG2 3.92Å; M446-V451 HydrophobicContact SD-CG2 3.81Å
447	S	96.8	Very high	94.1	Very high	53 Å²	53	28.3 Å²	28.3	37%	0.371	15%	0.15	S	C	.	.			trans	-69.2	154	173.2	53.9	0	0	0	0	110.8	D449 K450	S447-D449 WeakPolarHBondContact CB-OD1 3.21Å; S447-D449 PolarHBondContact O-N 2.99Å; S447-D449 PolarHBondContact OG-OD1 2.82Å; S447-K450 WeakPolarHBondContact O-CB 3.41Å; S447-K450 PolarHBondContact O-N 3.08Å
448	P	96.9	Very high	93.9	Very high	36 Å²	36	29.7 Å²	29.7	23%	0.234	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-54.9	-35.4	-178.2	-30.1	39.1	0	0	0	113.8	S253 D414 M415 M416 K450 V451	S253-P448 VanDerWaalsContact O-CG 3.25Å; S253-P448 WeakPolarHBondContact O-CG 3.4Å; D414-P448 WeakPolarHBondContact O-CB 3.49Å; M415-P448 VanDerWaalsContact CA-O 3.24Å; M415-P448 WeakPolarHBondContact CA-O 3.27Å; M416-P448 PolarHBondContact N-O 3.15Å; P448-K450 PolarHBondContact O-N 3.21Å; P448-K450 VanDerWaalsContact O-N 3.09Å; P448-V451 PolarHBondContact O-N 2.83Å
449	D	96.8	Very high	93.7	Very high	67 Å²	67	30.7 Å²	30.7	36%	0.358	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-65.3	-10.4	176.7	65.7	-68.2	0	0	0	113.7	F320 M416 S447	F320-D449 WeakPolarHBondContact CD1-O 3.38Å; F320-D449 VanDerWaalsContact CE1-O 3.29Å; F320-D449 WeakPolarHBondContact CE1-O 3.38Å; M416-D449 WeakPolarHBondContact O-CA 3.28Å; S447-D449 WeakPolarHBondContact CB-OD1 3.21Å; S447-D449 PolarHBondContact O-N 2.99Å; S447-D449 PolarHBondContact OG-OD1 2.82Å
450	K	97.8	Very high	93.5	Very high	65 Å²	65	31 Å²	31	28%	0.283	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-101.6	4.7	174	-59.3	-56.8	177.8	-167.9	0	113.7	F320 H321 L322 M446 S447 P448	F320-K450 WeakPolarHBondContact CB-O 3.25Å; H321-K450 HydrophobicContact CB-CB 4.13Å; H321-K450 PolarHBondContact N-O 3.29Å; L322-K450 PolarHBondContact N-O 3.1Å; L322-K450 VanDerWaalsContact N-O 3.08Å; M446-K450 HydrophobicContact CB-CB 4.22Å; S447-K450 WeakPolarHBondContact O-CB 3.41Å; S447-K450 PolarHBondContact O-N 3.08Å; P448-K450 PolarHBondContact O-N 3.21Å; P448-K450 VanDerWaalsContact O-N 3.09Å
451	V	97.9	Very high	93.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-103.3	129.9	174.4	-173.4	0	0	0	0	109.3	S252 L322 M415 M416 Y436 M446 P448	S252-V451 VanDerWaalsContact CB-CG2 3.46Å; S252-V451 WeakPolarHBondContact OG-CG2 3.44Å; L322-V451 HydrophobicContact CD2-CG1 4.12Å; M415-V451 HydrophobicContact CB-CB 4.41Å; M415-V451 HydrophobicContact CE-CB 4.34Å; M415-V451 HydrophobicContact CE-CG1 3.82Å; M415-V451 WeakPolarHBondContact CE-O 3.25Å; M416-V451 WeakPolarHBondContact CG-O 3.39Å; M416-V451 PolarHBondContact N-O 2.85Å; M416-V451 VanDerWaalsContact N-O 3.09Å; Y436-V451 HydrophobicContact CD1-CG1 4.39Å; Y436-V451 HydrophobicContact CD2-CG1 4.25Å; Y436-V451 HydrophobicContact CE1-CG1 4.28Å; Y436-V451 HydrophobicContact CE2-CG1 4.11Å; Y436-V451 HydrophobicContact CG-CG1 4.38Å; M446-V451 HydrophobicContact CG-CG2 3.92Å; M446-V451 HydrophobicContact SD-CG2 3.81Å; P448-V451 PolarHBondContact O-N 2.83Å
452	S	96.8	Very high	93	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.			trans	-130.6	4.5	174.6	64.6	0	0	0	0	113.1	L317 F320 L322 S323 Y383 M415 V454	L317-S452 WeakPolarHBondContact CD2-OG 3.15Å; F320-S452 VanDerWaalsContact CD2-CB 3.42Å; L322-S452 PolarHBondContact O-N 3.46Å; L322-S452 PolarHBondContact O-OG 3.26Å; S323-S452 VanDerWaalsContact CA-OG 3.22Å; S323-S452 WeakPolarHBondContact CA-OG 3.47Å; S323-S452 WeakPolarHBondContact CB-OG 3.4Å; Y383-S452 WeakPolarHBondContact CE1-O 3.49Å; Y383-S452 VanDerWaalsContact CZ-O 3.26Å; Y383-S452 PolarHBondContact OH-O 3.37Å; M415-S452 VanDerWaalsContact CE-C 3.5Å; S452-V454 PolarHBondContact O-N 3.39Å
453	L	95.6	Very high	92.9	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	17%	0.174	C	C	.	.			trans	-84.8	103.9	176.1	-175.1	69.8	0	0	0	110.2	V240 L322 P324 Y436 L455	V240-L453 HydrophobicContact CB-CD2 4.32Å; V240-L453 HydrophobicContact CG1-CD2 3.77Å; V240-L453 HydrophobicContact CG2-CD2 3.66Å; L322-L453 HydrophobicContact CD2-CB 4.32Å; L322-L453 HydrophobicContact CD2-CD2 4.4Å; L322-L453 HydrophobicContact CG-CB 4.07Å; L322-L453 HydrophobicContact CG-CD2 4.41Å; L322-L453 PolarHBondContact O-N 3.3Å; P324-L453 HydrophobicContact CB-CD1 3.88Å; P324-L453 HydrophobicContact CG-CD1 4.23Å; Y436-L453 WeakPolarHBondContact CE1-O 3.39Å; Y436-L453 PolarHBondContact OH-O 3.02Å; L453-L455 HydrophobicContact CD2-CD2 4.25Å; L453-L455 HydrophobicContact CG-CD2 4.17Å
454	V	93.6	Very high	92.6	Very high	15 Å²	15	33.1 Å²	33.1	9%	0.091	18%	0.184	C	C	.	.			trans	-91.5	133.5	174.8	-177.7	0	0	0	0	110.2	Y361 L382 M415 M416 S452 P456	Y361-V454 HydrophobicContact CE1-CG1 4.37Å; L382-V454 HydrophobicContact CD1-CB 4Å; L382-V454 HydrophobicContact CD1-CG1 3.8Å; L382-V454 VanDerWaalsContact O-CG2 3.23Å; L382-V454 WeakPolarHBondContact O-CG2 3.36Å; M415-V454 HydrophobicContact CE-CG2 3.61Å; M415-V454 HydrophobicContact SD-CG2 3.74Å; M416-V454 HydrophobicContact CE-CG2 4.16Å; S452-V454 PolarHBondContact O-N 3.39Å; V454-P456 WeakPolarHBondContact O-CD 3.49Å
455	L	90.2	Very high	92.3	Very high	14 Å²	14	33.1 Å²	33.1	7%	0.073	18%	0.181	C	C	.	.			trans	-112.9	101.4	179.7	-60.4	177.4	0	0	0	110.2	Q204 R206 A242 Y436 L453 N457	Q204-L455 HydrophobicContact CB-CD2 4.45Å; Q204-L455 HydrophobicContact CG-CD2 3.96Å; R206-L455 VanDerWaalsContact NH1-CA 3.34Å; A242-L455 HydrophobicContact CB-CD1 3.72Å; Y436-L455 HydrophobicContact CD1-CD1 4.45Å; Y436-L455 HydrophobicContact CE1-CD1 4.12Å; Y436-L455 HydrophobicContact CE1-CG 4.26Å; L453-L455 HydrophobicContact CD2-CD2 4.25Å; L453-L455 HydrophobicContact CG-CD2 4.17Å; L455-N457 PolarHBondContact O-N 3.18Å
456	P	82.2	Confident	92.1	Very high	4 Å²	4	26 Å²	26	3%	0.026	15%	0.145	C	C	.	.			trans	-70	97.6	171.5	-13.9	28.4	0	0	0	109.4	Y156 W159 R206 Y361 L382 V454	Y156-P456 WeakPolarHBondContact OH-CB 3.15Å; W159-P456 HydrophobicContact CH2-CB 4Å; W159-P456 HydrophobicContact CH2-CG 3.74Å; W159-P456 HydrophobicContact CZ3-CB 3.63Å; W159-P456 HydrophobicContact CZ3-CG 3.88Å; R206-P456 VanDerWaalsContact NH1-C 3.29Å; R206-P456 VanDerWaalsContact NH1-CD 3.34Å; R206-P456 PolarHBondContact NH1-O 3.24Å; Y361-P456 HydrophobicContact CD1-CB 4.4Å; Y361-P456 HydrophobicContact CD1-CG 4.4Å; Y361-P456 HydrophobicContact CD2-CB 4.33Å; Y361-P456 HydrophobicContact CE1-CB 4.22Å; Y361-P456 HydrophobicContact CE1-CG 4.3Å; Y361-P456 HydrophobicContact CE2-CB 4.12Å; Y361-P456 HydrophobicContact CG-CB 4.45Å; L382-P456 HydrophobicContact CD1-CG 3.95Å; V454-P456 WeakPolarHBondContact O-CD 3.49Å
457	N	65.1	Low	91.8	Very high	42 Å²	42	27.1 Å²	27.1	23%	0.225	15%	0.152	C	C	.	.			trans	-125	0	-172.7	-86.6	-7.8	0	0	0	112.2	Y140 R206 F207 L455	Y140-N457 WeakPolarHBondContact CE1-OXT 3.4Å; Y140-N457 VanDerWaalsContact CZ-OXT 3.22Å; Y140-N457 PolarHBondContact OH-OXT 3.13Å; R206-N457 WeakPolarHBondContact CD-OD1 3.24Å; R206-N457 PolarHBondContact NH1-OD1 3.44Å; F207-N457 VanDerWaalsContact CD1-OXT 3.3Å; F207-N457 WeakPolarHBondContact CD1-OXT 3.23Å; F207-N457 WeakPolarHBondContact CE1-OXT 3.15Å; L455-N457 PolarHBondContact O-N 3.18Å

Retrieved 457 of 457 residues in 404.7 ms (Link to these results)

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