A0A096NNK1_PAPAN Loading...

Cleavage stimulation factor subunit 1

One of the multiple factors required for polyadenylation and 3'-end cleavage of mammalian pre-mRNAs. May be responsible for the interaction of CSTF with other factors to form a stable complex on the pre-mRNA.

AlphaFold DB , UniProt , Accession A0A096NNK1, Species PAPAN (Papio anubis, Olive baboon), Gene CSTF1, Length 471 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	33.1	Very low	29.7	Very low	242 Å²	242	162.8 Å²	162.8	100%	1.192	88%	0.884	S	S	*	*				0	127.6	0	-78	177.7	-178.5	0	0	108.3
2	C	32.1	Very low	29.5	Very low	131 Å²	131	167.6 Å²	167.6	89%	0.885	88%	0.88	S	S	*	*			trans	51.2	114.1	173.1	-64	0	0	0	0	118.1
3	A	28.9	Very low	29.5	Very low	93 Å²	93	162 Å²	162	77%	0.769	87%	0.873	S	S	*	*			cis	82	120.5	41.4	0	0	0	0	0	116.4
4	R	30.2	Very low	29.3	Very low	237 Å²	237	158.6 Å²	158.6	89%	0.894	87%	0.867	S	S	*	*			trans	88.3	110.1	156.6	-67.1	-173.9	178.2	-168	-0.1	118.5
5	S	31.4	Very low	29.1	Very low	118 Å²	118	157.1 Å²	157.1	83%	0.825	86%	0.856	S	S	*	*				95.6	133.6	79.1	72.5	0	0	0	0	111.4
6	G	29.1	Very low	29.1	Very low	74 Å²	74	159.5 Å²	159.5	76%	0.763	86%	0.856	S	S	*	*			cis	-178.2	170	3.7	0	0	0	0	0	110.7
7	R	28.8	Very low	29.7	Very low	238 Å²	238	157.4 Å²	157.4	90%	0.898	85%	0.853	S	S	*	*			trans	16.1	141.4	160.5	-58.7	179.1	-176.8	-177.6	0.6	119.9
8	L	28.2	Very low	29.6	Very low	174 Å²	174	152.6 Å²	152.6	91%	0.911	85%	0.846	S	S	*	*			cis	-157.3	137.9	45.7	-100.9	101.5	0	0	0	109.9
9	G	26.7	Very low	29.5	Very low	81 Å²	81	154.6 Å²	154.6	84%	0.835	85%	0.849	S	S	*	*				151.4	98.6	119	0	0	0	0	0	112.3
10	R	29.6	Very low	29.5	Very low	229 Å²	229	152.6 Å²	152.6	86%	0.864	85%	0.846	S	S	*	*			trans	-92.4	141.5	167.6	-84.1	179.2	170.5	175.8	-3.3	108.4
11	I	28.3	Very low	30.1	Very low	174 Å²	174	149.1 Å²	149.1	89%	0.892	85%	0.845	S	S	*	*			trans	-126.1	122.6	151.3	-61.3	-177.8	0	0	0	108.8
12	R	27.3	Very low	30	Very low	220 Å²	220	144.4 Å²	144.4	83%	0.83	82%	0.823	S	S	*	*			trans	-84	159.1	177.6	-101.4	178.8	166.6	177.9	-5.4	110.7
13	A	30.3	Very low	30	Very low	95 Å²	95	143.7 Å²	143.7	79%	0.785	82%	0.817	S	S	*	*			trans	-65.1	153	170.4	0	0	0	0	0	115.7
14	S	25.8	Very low	30.1	Very low	114 Å²	114	151.1 Å²	151.1	80%	0.797	83%	0.825	S	S	*	*			trans	-174.2	116.1	155.7	49.3	0	0	0	0	105.7
15	I	27.3	Very low	30.4	Very low	137 Å²	137	146.3 Å²	146.3	70%	0.703	81%	0.813	S	S	*	*			cis	66.5	99.5	36.1	-58.1	-173.2	0	0	0	114.1
16	F	27.9	Very low	30.9	Very low	195 Å²	195	145.1 Å²	145.1	86%	0.855	80%	0.803	S	S	*	*			trans	73	160.4	157.9	-68.2	-55.3	0	0	0	120.6
17	P	39.7	Very low	31.4	Very low	123 Å²	123	145.9 Å²	145.9	80%	0.799	79%	0.789	S	S	*	*			cis	-131.3	-178.9	5.9	25.2	1.1	0	0	0	115
18	G	27.3	Very low	31.7	Very low	71 Å²	71	142.3 Å²	142.3	73%	0.732	78%	0.782	S	S	*	*			trans	-93.6	176	-176.7	0	0	0	0	0	116
19	E	28.8	Very low	32.3	Very low	192 Å²	192	140 Å²	140	90%	0.897	77%	0.77	S	S	*	*			trans	176.3	150.1	130.7	-101	-174.4	170.6	0	0	111.5
20	S	28.6	Very low	33.1	Very low	113 Å²	113	140.2 Å²	140.2	79%	0.79	75%	0.752	S	S	*	*			trans	79	109.9	167.5	73.3	0	0	0	0	118.7
21	G	41.8	Very low	33.5	Very low	81 Å²	81	131.8 Å²	131.8	84%	0.835	73%	0.731	S	S	*	*			trans	-73.7	136.4	172.2	0	0	0	0	0	112.4
22	I	31.8	Very low	33.9	Very low	142 Å²	142	125.6 Å²	125.6	73%	0.728	71%	0.71	S	S	*	*			trans	-140.2	131.1	159.6	-56.1	177.5	0	0	0	105.2	R24	I22-R24 PolarHBondContact O-N 3.19Å
23	P	31.5	Very low	34.8	Very low	116 Å²	116	121.4 Å²	121.4	75%	0.753	70%	0.698	S	S	*	*			trans	-66.1	124.6	173.7	2	11.3	0	0	0	108.3	E25	P23-E25 PolarHBondContact O-N 3.13Å
24	R	32.6	Very low	35.5	Very low	249 Å²	249	119.9 Å²	119.9	94%	0.94	68%	0.676	S	S	*	*			trans	-69.9	112.5	168	-72.5	-174.3	-174.6	-177	1.6	107.7	I22	I22-R24 PolarHBondContact O-N 3.19Å
25	E	35.7	Very low	36.3	Very low	136 Å²	136	119.3 Å²	119.3	64%	0.636	67%	0.668	S	S	*	*			trans	-55.2	140.8	172.9	-73.7	174.4	157.6	0	0	111.4	P23 D27	P23-E25 PolarHBondContact O-N 3.13Å; E25-D27 HydrophobicContact CB-CB 4.31Å; E25-D27 PolarHBondContact O-N 3.48Å
26	P	41.1	Very low	37.1	Very low	94 Å²	94	119.4 Å²	119.4	61%	0.61	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-7.8	171.3	26.7	-31.4	0	0	0	113.7	Q28	P26-Q28 PolarHBondContact O-N 3.22Å
27	D	40.2	Very low	38.1	Very low	89 Å²	89	113.5 Å²	113.5	48%	0.476	64%	0.64	S	S	.	*	H	α-helix	trans	-69.3	-28.9	-171.6	-72.5	-16.3	0	0	0	114.5	E25 A31	E25-D27 HydrophobicContact CB-CB 4.31Å; E25-D27 PolarHBondContact O-N 3.48Å; D27-A31 WeakPolarHBondContact O-CB 3.34Å; D27-A31 PolarHBondContact O-N 3.42Å; D27-A31 VanDerWaalsContact O-N 3.16Å
28	Q	35.6	Very low	38.4	Very low	163 Å²	163	112.7 Å²	112.7	76%	0.762	62%	0.624	S	S	*	*	H	α-helix	trans	-77.8	-26.3	-177.6	-69.9	-171.4	-1.9	0	0	113.7	P26 G32	P26-Q28 PolarHBondContact O-N 3.22Å; Q28-G32 PolarHBondContact O-N 3.35Å
29	L	41.6	Very low	38.9	Very low	126 Å²	126	113.3 Å²	113.3	66%	0.66	62%	0.618	S	S	*	*	H	α-helix	trans	-79.3	-35.2	-179.1	-146.3	90.7	0	0	0	111.7	K33	L29-K33 VanDerWaalsContact O-CG 3.28Å; L29-K33 WeakPolarHBondContact O-CG 3.34Å; L29-K33 PolarHBondContact O-N 3.11Å
30	L	42.9	Very low	39.5	Very low	86 Å²	86	109 Å²	109	45%	0.45	60%	0.596	S	S	.	*	H	α-helix	trans	-74.6	-44.7	175.8	-129.8	94.6	0	0	0	111.1	G32 K33 L34	L30-G32 VanDerWaalsContact C-N 3.34Å; L30-G32 PolarHBondContact O-N 2.91Å; L30-K33 PolarHBondContact O-N 3.5Å; L30-L34 HydrophobicContact CD2-CD1 4.35Å; L30-L34 WeakPolarHBondContact O-CB 3.41Å; L30-L34 PolarHBondContact O-N 3.23Å
31	A	36.9	Very low	40.4	Very low	51 Å²	51	105.1 Å²	105.1	42%	0.421	57%	0.566	S	S	.	*	H	α-helix	trans	-61.8	-41.2	176.2	0	0	0	0	0	111.8	D27 K33 L34 V35	D27-A31 WeakPolarHBondContact O-CB 3.34Å; D27-A31 PolarHBondContact O-N 3.42Å; D27-A31 VanDerWaalsContact O-N 3.16Å; A31-K33 PolarHBondContact O-N 3.23Å; A31-L34 PolarHBondContact O-N 3.49Å; A31-V35 WeakPolarHBondContact O-CB 3.48Å; A31-V35 VanDerWaalsContact O-CG2 3.24Å; A31-V35 WeakPolarHBondContact O-CG2 3.49Å; A31-V35 PolarHBondContact O-N 3.34Å
32	G	36.6	Very low	40.3	Very low	44 Å²	44	111.4 Å²	111.4	45%	0.454	57%	0.566	S	S	.	*	H	α-helix	trans	-62.2	-39.5	175.2	0	0	0	0	0	113.3	Q28 L30 F36	Q28-G32 PolarHBondContact O-N 3.35Å; L30-G32 VanDerWaalsContact C-N 3.34Å; L30-G32 PolarHBondContact O-N 2.91Å; G32-F36 WeakPolarHBondContact O-CB 3.24Å; G32-F36 PolarHBondContact O-N 3.43Å
33	K	46.6	Very low	40.6	Very low	133 Å²	133	115.6 Å²	115.6	58%	0.578	57%	0.573	S	S	*	*	H	α-helix	trans	-70.8	-38.7	176.4	-74.5	176	179.1	-174.3	0	112.6	L29 L30 A31 F36 L37	L29-K33 VanDerWaalsContact O-CG 3.28Å; L29-K33 WeakPolarHBondContact O-CG 3.34Å; L29-K33 PolarHBondContact O-N 3.11Å; L30-K33 PolarHBondContact O-N 3.5Å; A31-K33 PolarHBondContact O-N 3.23Å; K33-F36 PolarHBondContact O-N 2.97Å; K33-L37 PolarHBondContact O-N 2.96Å; K33-L37 VanDerWaalsContact O-N 3.13Å
34	L	45.7	Very low	41.1	Very low	62 Å²	62	114.5 Å²	114.5	33%	0.325	56%	0.564	S	S	.	*	H	α-helix	trans	-67.4	-43.9	176	-91.2	147	0	0	0	112.2	L30 A31 F36 L37 F38	L30-L34 HydrophobicContact CD2-CD1 4.35Å; L30-L34 WeakPolarHBondContact O-CB 3.41Å; L30-L34 PolarHBondContact O-N 3.23Å; A31-L34 PolarHBondContact O-N 3.49Å; L34-F36 VanDerWaalsContact C-N 3.28Å; L34-F36 PolarHBondContact O-N 3.46Å; L34-L37 WeakPolarHBondContact O-CB 3.35Å; L34-L37 PolarHBondContact O-N 3.04Å; L34-F38 HydrophobicContact CD2-CE2 4.33Å; L34-F38 VanDerWaalsContact O-CD2 3.31Å; L34-F38 WeakPolarHBondContact O-CD2 3.35Å; L34-F38 PolarHBondContact O-N 3.35Å
35	V	43.2	Very low	41.5	Very low	102 Å²	102	113.3 Å²	113.3	62%	0.618	57%	0.565	S	S	*	*	H	α-helix	trans	-63.3	-35.6	176.4	172	0	0	0	0	111.4	A31 F38 S39	A31-V35 WeakPolarHBondContact O-CB 3.48Å; A31-V35 VanDerWaalsContact O-CG2 3.24Å; A31-V35 WeakPolarHBondContact O-CG2 3.49Å; A31-V35 PolarHBondContact O-N 3.34Å; V35-F38 PolarHBondContact O-N 3.48Å; V35-S39 WeakPolarHBondContact O-CB 3.29Å; V35-S39 PolarHBondContact O-N 3.23Å
36	F	43.8	Very low	42.1	Very low	140 Å²	140	109.7 Å²	109.7	61%	0.614	55%	0.553	S	S	*	*	H	α-helix	trans	-65.4	-40.1	174.7	-157.1	-95.5	0	0	0	112.4	G32 K33 L34 S39 K40	G32-F36 WeakPolarHBondContact O-CB 3.24Å; G32-F36 PolarHBondContact O-N 3.43Å; K33-F36 PolarHBondContact O-N 2.97Å; L34-F36 VanDerWaalsContact C-N 3.28Å; L34-F36 PolarHBondContact O-N 3.46Å; F36-S39 PolarHBondContact O-N 2.88Å; F36-K40 HydrophobicContact CE1-CD 4.5Å; F36-K40 PolarHBondContact O-N 3.23Å
37	L	47.8	Very low	42.5	Very low	71 Å²	71	106.8 Å²	106.8	37%	0.372	54%	0.54	S	S	.	.	H	α-helix	trans	-61	-47.7	172.4	-102.3	143.7	0	0	0	112.1	K33 L34 S39 K40 M41	K33-L37 PolarHBondContact O-N 2.96Å; K33-L37 VanDerWaalsContact O-N 3.13Å; L34-L37 WeakPolarHBondContact O-CB 3.35Å; L34-L37 PolarHBondContact O-N 3.04Å; L37-S39 VanDerWaalsContact C-N 3.3Å; L37-S39 PolarHBondContact O-N 3.05Å; L37-K40 PolarHBondContact O-N 2.92Å; L37-M41 WeakPolarHBondContact O-CG 3.45Å; L37-M41 PolarHBondContact O-N 3.2Å
38	F	46.7	Very low	42.7	Very low	105 Å²	105	109.5 Å²	109.5	46%	0.461	55%	0.553	S	S	.	*	H	α-helix	trans	-63.5	-33.9	178.3	-87.2	-80.5	0	0	0	112.9	L34 V35 M41	L34-F38 HydrophobicContact CD2-CE2 4.33Å; L34-F38 VanDerWaalsContact O-CD2 3.31Å; L34-F38 WeakPolarHBondContact O-CD2 3.35Å; L34-F38 PolarHBondContact O-N 3.35Å; V35-F38 PolarHBondContact O-N 3.48Å; F38-M41 HydrophobicContact CD1-CE 3.55Å; F38-M41 HydrophobicContact CE1-CE 3.88Å; F38-M41 HydrophobicContact CG-CE 4.43Å
39	S	37.4	Very low	43.5	Very low	85 Å²	85	110.1 Å²	110.1	59%	0.594	55%	0.553	S	S	*	*	H	α-helix	trans	-70	-39.6	177.4	-178.4	0	0	0	0	113.1	V35 F36 L37	V35-S39 WeakPolarHBondContact O-CB 3.29Å; V35-S39 PolarHBondContact O-N 3.23Å; F36-S39 PolarHBondContact O-N 2.88Å; L37-S39 VanDerWaalsContact C-N 3.3Å; L37-S39 PolarHBondContact O-N 3.05Å
40	K	42.4	Very low	44.4	Very low	102 Å²	102	108.7 Å²	108.7	44%	0.443	55%	0.547	S	S	.	.	H	α-helix	trans	-73.7	-24.6	179.2	-123.6	172.9	178.2	179.7	0	112.3	F36 L37 Y42 R43 D101	F36-K40 HydrophobicContact CE1-CD 4.5Å; F36-K40 PolarHBondContact O-N 3.23Å; L37-K40 PolarHBondContact O-N 2.92Å; K40-Y42 PolarHBondContact O-N 2.85Å; K40-R43 PolarHBondContact O-N 3.02Å; K40-D101 IonicContact NZ-OD1 3.3Å; K40-D101 PolarHBondContact NZ-OD1 3.33Å
41	M	46	Very low	45.6	Very low	31 Å²	31	108.6 Å²	108.6	15%	0.153	54%	0.54	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-22	176.3	-74.9	-157.8	-41	0	0	115.2	L37 F38 R43 R51	L37-M41 WeakPolarHBondContact O-CG 3.45Å; L37-M41 PolarHBondContact O-N 3.2Å; F38-M41 HydrophobicContact CD1-CE 3.55Å; F38-M41 HydrophobicContact CE1-CE 3.88Å; F38-M41 HydrophobicContact CG-CE 4.43Å; M41-R43 VanDerWaalsContact C-N 3.31Å; M41-R51 PolarHBondContact O-NH2 3.34Å; M41-R51 VanDerWaalsContact O-NH2 3.09Å
42	Y	40.2	Very low	47.2	Very low	213 Å²	213	110.8 Å²	110.8	84%	0.835	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-6.9	179.1	-95.4	-87.6	0	0	0	113.5	K40	K40-Y42 PolarHBondContact O-N 2.85Å
43	R	37.8	Very low	48.8	Very low	230 Å²	230	111.4 Å²	111.4	87%	0.868	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-12.1	-174.3	-80.1	-171.8	175.9	-171.9	-0	116.2	K40 M41	K40-R43 PolarHBondContact O-N 3.02Å; M41-R43 VanDerWaalsContact C-N 3.31Å
44	T	41.6	Very low	50.1	Low	93 Å²	93	106.9 Å²	106.9	57%	0.571	52%	0.515	S	S	*	.	S	Bend	trans	-131.6	133.8	177	35.5	0	0	0	0	110.2	V46	T44-V46 PolarHBondContact O-N 3.26Å
45	K	42	Very low	51.7	Low	223 Å²	223	106 Å²	106	97%	0.97	51%	0.508	S	S	*	.			trans	-68.5	74.9	175.1	-80.6	-176.7	175.3	178.5	0	109.6
46	V	48.8	Very low	53.4	Low	61 Å²	61	102.4 Å²	102.4	37%	0.37	48%	0.483	S	S	.	.			trans	-72.7	129.4	167.9	179.5	0	0	0	0	107.5	T44 D50 R51	T44-V46 PolarHBondContact O-N 3.26Å; V46-D50 HydrophobicContact CG1-CB 3.57Å; V46-R51 HydrophobicContact CG1-CG 4Å
47	G	47.8	Very low	55	Low	33 Å²	33	96 Å²	96	34%	0.34	46%	0.456	S	S	.	.			trans	-63	153.8	-178	0	0	0	0	0	112	K49 D50 R51	G47-K49 PolarHBondContact O-N 2.89Å; G47-D50 PolarHBondContact N-OD2 3.28Å; G47-D50 VanDerWaalsContact N-OD2 3.12Å; G47-D50 PolarHBondContact O-N 3Å; G47-D50 VanDerWaalsContact O-N 3.16Å; G47-R51 PolarHBondContact O-N 3.4Å
48	L	45.3	Very low	56.5	Low	145 Å²	145	93.9 Å²	93.9	76%	0.759	44%	0.444	S	S	*	.	H	α-helix	trans	-58.2	-32.3	177.5	-104.1	146.4	0	0	0	112.9	Q52	L48-Q52 PolarHBondContact O-N 3.29Å
49	K	51.8	Low	58	Low	176 Å²	176	88.9 Å²	88.9	77%	0.765	42%	0.422	S	S	*	.	H	α-helix	trans	-67.1	-43.6	175.4	-72.9	-172.3	174.1	-173.6	0	112.2	G47 R51 Q52 Q53	G47-K49 PolarHBondContact O-N 2.89Å; K49-R51 VanDerWaalsContact C-N 3.31Å; K49-R51 PolarHBondContact O-N 3.44Å; K49-Q52 PolarHBondContact O-N 3.34Å; K49-Q53 PolarHBondContact O-N 3.21Å; K49-Q53 VanDerWaalsContact O-N 3.11Å
50	D	60.8	Low	59.9	Low	97 Å²	97	85 Å²	85	52%	0.519	40%	0.396	S	S	.	.	H	α-helix	trans	-65.7	-35.8	-179.4	-48.6	-32.3	0	0	0	111.6	V46 G47 L54	V46-D50 HydrophobicContact CG1-CB 3.57Å; G47-D50 PolarHBondContact N-OD2 3.28Å; G47-D50 VanDerWaalsContact N-OD2 3.12Å; G47-D50 PolarHBondContact O-N 3Å; G47-D50 VanDerWaalsContact O-N 3.16Å; D50-L54 PolarHBondContact O-N 3.12Å; D50-L54 VanDerWaalsContact O-N 3.08Å
51	R	68.6	Low	61.6	Low	84 Å²	84	82.3 Å²	82.3	32%	0.317	39%	0.385	S	S	.	.	H	α-helix	trans	-67	-43.9	175.4	-73	-176.6	174.3	-179.1	-2.8	112.5	M41 V46 G47 K49 Q53 L54 Y55	M41-R51 PolarHBondContact O-NH2 3.34Å; M41-R51 VanDerWaalsContact O-NH2 3.09Å; V46-R51 HydrophobicContact CG1-CG 4Å; G47-R51 PolarHBondContact O-N 3.4Å; K49-R51 VanDerWaalsContact C-N 3.31Å; K49-R51 PolarHBondContact O-N 3.44Å; R51-Q53 VanDerWaalsContact C-N 3.29Å; R51-Q53 PolarHBondContact O-N 3.41Å; R51-L54 PolarHBondContact O-N 3.45Å; R51-Y55 HydrophobicContact CB-CE2 4.19Å; R51-Y55 WeakPolarHBondContact O-CD2 3.25Å; R51-Y55 VanDerWaalsContact O-CG 3.31Å; R51-Y55 PolarHBondContact O-N 3.18Å
52	Q	70.1	Confident	63.1	Low	96 Å²	96	81.6 Å²	81.6	45%	0.449	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-39.4	177.9	-76.9	-171.6	-12.2	0	0	111.7	L48 K49 Y55 K56	L48-Q52 PolarHBondContact O-N 3.29Å; K49-Q52 PolarHBondContact O-N 3.34Å; Q52-Y55 PolarHBondContact O-N 2.96Å; Q52-K56 WeakPolarHBondContact O-CG 3.4Å; Q52-K56 PolarHBondContact O-N 3.38Å; Q52-K56 VanDerWaalsContact O-N 3.14Å
53	Q	71	Confident	64.8	Low	57 Å²	57	74.5 Å²	74.5	27%	0.266	36%	0.357	S	S	.	.	H	α-helix	trans	-64.7	-44.9	177	-166.7	66.5	2.7	0	0	112.1	K49 R51 Y55 K56 L57 D128	K49-Q53 PolarHBondContact O-N 3.21Å; K49-Q53 VanDerWaalsContact O-N 3.11Å; R51-Q53 VanDerWaalsContact C-N 3.29Å; R51-Q53 PolarHBondContact O-N 3.41Å; Q53-Y55 VanDerWaalsContact C-N 3.31Å; Q53-Y55 PolarHBondContact O-N 3.14Å; Q53-K56 WeakPolarHBondContact O-CB 3.36Å; Q53-K56 PolarHBondContact O-N 3.16Å; Q53-L57 PolarHBondContact O-N 3.4Å; Q53-D128 PolarHBondContact NE2-OD2 3.2Å
54	L	72.9	Confident	66.6	Low	38 Å²	38	71.3 Å²	71.3	20%	0.199	35%	0.346	C	S	.	.	H	α-helix	trans	-59.4	-42.4	176.5	-176.7	65.7	0	0	0	112	D50 R51 K56 L57 I58 L90 L93	D50-L54 PolarHBondContact O-N 3.12Å; D50-L54 VanDerWaalsContact O-N 3.08Å; R51-L54 PolarHBondContact O-N 3.45Å; L54-K56 VanDerWaalsContact C-N 3.33Å; L54-K56 PolarHBondContact O-N 3.05Å; L54-L57 PolarHBondContact O-N 2.92Å; L54-I58 HydrophobicContact CD1-CD1 4.43Å; L54-I58 HydrophobicContact CG-CD1 3.97Å; L54-I58 WeakPolarHBondContact O-CG1 3.45Å; L54-I58 PolarHBondContact O-N 3.37Å; L54-L90 HydrophobicContact CD1-CD1 4Å; L54-L93 HydrophobicContact CD1-CD1 4.3Å
55	Y	79.9	Confident	68.1	Low	45 Å²	45	70.9 Å²	70.9	18%	0.176	34%	0.341	C	S	.	.	H	α-helix	trans	-64.3	-36.7	177.7	-66.5	-43.8	0	0	0	113	R51 Q52 Q53 L57 I58 I59 I78	R51-Y55 HydrophobicContact CB-CE2 4.19Å; R51-Y55 WeakPolarHBondContact O-CD2 3.25Å; R51-Y55 VanDerWaalsContact O-CG 3.31Å; R51-Y55 PolarHBondContact O-N 3.18Å; Q52-Y55 PolarHBondContact O-N 2.96Å; Q53-Y55 VanDerWaalsContact C-N 3.31Å; Q53-Y55 PolarHBondContact O-N 3.14Å; Y55-L57 VanDerWaalsContact C-N 3.34Å; Y55-L57 PolarHBondContact O-N 3.49Å; Y55-I58 HydrophobicContact CD1-CD1 4.44Å; Y55-I58 PolarHBondContact O-N 3.42Å; Y55-I59 WeakPolarHBondContact O-CB 3.42Å; Y55-I59 WeakPolarHBondContact O-CD1 3.4Å; Y55-I59 WeakPolarHBondContact O-CG1 3.2Å; Y55-I59 PolarHBondContact O-N 2.95Å; Y55-I78 HydrophobicContact CD1-CD1 3.8Å; Y55-I78 HydrophobicContact CD2-CD1 3.91Å; Y55-I78 HydrophobicContact CD2-CG2 3.99Å; Y55-I78 HydrophobicContact CE1-CD1 4.36Å; Y55-I78 HydrophobicContact CE2-CD1 4.45Å; Y55-I78 HydrophobicContact CG-CD1 3.57Å; Y55-I78 HydrophobicContact CG-CG2 4.31Å
56	K	79	Confident	69.5	Low	25 Å²	25	62.6 Å²	62.6	11%	0.109	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-44.3	173.6	-70.8	179.4	-179.3	-172.5	0	111.7	Q52 Q53 L54 I59 S60 P80 S82	Q52-K56 WeakPolarHBondContact O-CG 3.4Å; Q52-K56 PolarHBondContact O-N 3.38Å; Q52-K56 VanDerWaalsContact O-N 3.14Å; Q53-K56 WeakPolarHBondContact O-CB 3.36Å; Q53-K56 PolarHBondContact O-N 3.16Å; L54-K56 VanDerWaalsContact C-N 3.33Å; L54-K56 PolarHBondContact O-N 3.05Å; K56-I59 PolarHBondContact O-N 3.47Å; K56-S60 WeakPolarHBondContact O-CB 3.22Å; K56-S60 PolarHBondContact O-N 3.26Å; K56-P80 HydrophobicContact CG-CB 3.99Å; K56-S82 WeakPolarHBondContact CD-O 3.47Å; K56-S82 WeakPolarHBondContact CE-O 3.28Å; K56-S82 PolarHBondContact NZ-OG 3.12Å; K56-S82 VanDerWaalsContact NZ-OG 3.12Å
57	L	76.9	Confident	71	Confident	7 Å²	7	63.7 Å²	63.7	4%	0.037	32%	0.316	C	S	.	.	H	α-helix	trans	-65.6	-41.5	179.2	-64.7	174.4	0	0	0	112.3	Q53 L54 Y55 S60 Q61 Q89 L90 L93	Q53-L57 PolarHBondContact O-N 3.4Å; L54-L57 PolarHBondContact O-N 2.92Å; Y55-L57 VanDerWaalsContact C-N 3.34Å; Y55-L57 PolarHBondContact O-N 3.49Å; L57-S60 PolarHBondContact O-N 3.29Å; L57-Q61 WeakPolarHBondContact O-CB 3.03Å; L57-Q61 PolarHBondContact O-N 2.98Å; L57-Q89 HydrophobicContact CD1-CB 3.84Å; L57-Q89 HydrophobicContact CD2-CB 4.04Å; L57-L90 HydrophobicContact CB-CB 4.32Å; L57-L93 HydrophobicContact CD1-CD1 3.95Å
58	I	78.8	Confident	72.3	Confident	25 Å²	25	66.8 Å²	66.8	13%	0.128	32%	0.324	C	S	.	.	H	α-helix	trans	-62.1	-47.3	175.1	-67	166.7	0	0	0	110.7	L54 Y55 Q61 L62 L90	L54-I58 HydrophobicContact CD1-CD1 4.43Å; L54-I58 HydrophobicContact CG-CD1 3.97Å; L54-I58 WeakPolarHBondContact O-CG1 3.45Å; L54-I58 PolarHBondContact O-N 3.37Å; Y55-I58 HydrophobicContact CD1-CD1 4.44Å; Y55-I58 PolarHBondContact O-N 3.42Å; I58-Q61 PolarHBondContact O-N 3.19Å; I58-L62 HydrophobicContact CG2-CD1 3.87Å; I58-L62 HydrophobicContact CG2-CG 4.41Å; I58-L62 WeakPolarHBondContact O-CB 3.24Å; I58-L62 VanDerWaalsContact O-CG 3.25Å; I58-L62 WeakPolarHBondContact O-CG 3.45Å; I58-L62 PolarHBondContact O-N 3.42Å; I58-L90 HydrophobicContact CG1-CD1 3.71Å; I58-L90 HydrophobicContact CG1-CD2 4.08Å
59	I	78.8	Confident	73.8	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.1	-45.3	179.1	-70.9	165.7	0	0	0	110.7	Y55 K56 L62 L63 L74 I75 P80 V83	Y55-I59 WeakPolarHBondContact O-CB 3.42Å; Y55-I59 WeakPolarHBondContact O-CD1 3.4Å; Y55-I59 WeakPolarHBondContact O-CG1 3.2Å; Y55-I59 PolarHBondContact O-N 2.95Å; K56-I59 PolarHBondContact O-N 3.47Å; I59-L62 PolarHBondContact O-N 3.05Å; I59-L63 HydrophobicContact CG2-CD1 4.12Å; I59-L63 WeakPolarHBondContact O-CG 3.31Å; I59-L63 PolarHBondContact O-N 3.09Å; I59-L74 HydrophobicContact CD1-CB 4.09Å; I59-L74 HydrophobicContact CG1-CB 3.83Å; I59-I75 HydrophobicContact CD1-CG1 4.06Å; I59-I75 HydrophobicContact CG1-CG1 4.43Å; I59-I75 HydrophobicContact CG2-CD1 3.69Å; I59-I75 HydrophobicContact CG2-CG1 3.52Å; I59-P80 HydrophobicContact CD1-CG 4.12Å; I59-V83 HydrophobicContact CG2-CG1 4.46Å
60	S	78.3	Confident	75	Confident	5 Å²	5	60.6 Å²	60.6	4%	0.035	31%	0.307	C	S	.	.	H	α-helix	trans	-61.5	-44.5	179.5	-172.6	0	0	0	0	112.2	K56 L57 L63 Y64 C84 A85 P86	K56-S60 WeakPolarHBondContact O-CB 3.22Å; K56-S60 PolarHBondContact O-N 3.26Å; L57-S60 PolarHBondContact O-N 3.29Å; S60-L63 PolarHBondContact O-N 2.87Å; S60-Y64 PolarHBondContact O-N 3.46Å; S60-C84 WeakPolarHBondContact CB-O 3.45Å; S60-C84 PolarHBondContact OG-O 2.77Å; S60-A85 PolarHBondContact OG-O 3.2Å; S60-P86 VanDerWaalsContact OG-CA 3.26Å; S60-P86 WeakPolarHBondContact OG-CA 3.44Å; S60-P86 VanDerWaalsContact OG-N 3.08Å
61	Q	76.9	Confident	75.8	Confident	45 Å²	45	56 Å²	56	21%	0.21	28%	0.283	C	S	.	.	H	α-helix	trans	-65.2	-42.2	176.7	-170.4	62.2	42.7	0	0	112.1	L57 I58 L63 Y64 D65 L90	L57-Q61 WeakPolarHBondContact O-CB 3.03Å; L57-Q61 PolarHBondContact O-N 2.98Å; I58-Q61 PolarHBondContact O-N 3.19Å; Q61-L63 VanDerWaalsContact C-N 3.3Å; Q61-L63 PolarHBondContact O-N 2.98Å; Q61-Y64 PolarHBondContact O-N 3.44Å; Q61-D65 VanDerWaalsContact NE2-CG 3.34Å; Q61-D65 PolarHBondContact NE2-OD1 3.13Å; Q61-D65 PolarHBondContact NE2-OD2 3.39Å; Q61-D65 VanDerWaalsContact NE2-OD2 3.13Å; Q61-D65 WeakPolarHBondContact O-CB 3.34Å; Q61-D65 PolarHBondContact O-N 2.65Å; Q61-L90 HydrophobicContact CB-CD2 3.78Å; Q61-L90 HydrophobicContact CG-CD2 4.07Å
62	L	77.7	Confident	76.3	Confident	16 Å²	16	55.5 Å²	55.5	8%	0.084	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-37.4	176.5	-73.5	169.6	0	0	0	112.4	I58 I59 G66 Y67 I70 A71 L74	I58-L62 HydrophobicContact CG2-CD1 3.87Å; I58-L62 HydrophobicContact CG2-CG 4.41Å; I58-L62 WeakPolarHBondContact O-CB 3.24Å; I58-L62 VanDerWaalsContact O-CG 3.25Å; I58-L62 WeakPolarHBondContact O-CG 3.45Å; I58-L62 PolarHBondContact O-N 3.42Å; I59-L62 PolarHBondContact O-N 3.05Å; L62-G66 PolarHBondContact O-N 2.97Å; L62-Y67 HydrophobicContact CD2-CD2 4.11Å; L62-Y67 HydrophobicContact CD2-CG 4.27Å; L62-Y67 WeakPolarHBondContact O-CA 3.46Å; L62-Y67 PolarHBondContact O-N 2.7Å; L62-I70 HydrophobicContact CD1-CG2 4.09Å; L62-A71 HydrophobicContact CB-CB 3.96Å; L62-L74 HydrophobicContact CD1-CD1 3.59Å
63	L	76.7	Confident	76.8	Confident	63 Å²	63	52.7 Å²	52.7	33%	0.33	28%	0.283	S	S	.	.	H	α-helix	trans	-66.2	-42.2	174.4	-72.3	170.9	0	0	0	111.5	I59 S60 Q61 G66 A71 I75 V83	I59-L63 HydrophobicContact CG2-CD1 4.12Å; I59-L63 WeakPolarHBondContact O-CG 3.31Å; I59-L63 PolarHBondContact O-N 3.09Å; S60-L63 PolarHBondContact O-N 2.87Å; Q61-L63 VanDerWaalsContact C-N 3.3Å; Q61-L63 PolarHBondContact O-N 2.98Å; L63-G66 PolarHBondContact O-N 3.21Å; L63-A71 HydrophobicContact CD2-CB 3.62Å; L63-A71 HydrophobicContact CG-CB 3.77Å; L63-I75 HydrophobicContact CD1-CD1 4.45Å; L63-V83 HydrophobicContact CD1-CG1 4.06Å
64	Y	74.8	Confident	77.2	Confident	163 Å²	163	52.1 Å²	52.1	64%	0.639	28%	0.282	S	S	*	.	H	α-helix	trans	-64.6	-42	177.1	-179.4	-99.1	0	0	0	112.7	S60 Q61 G66 P86	S60-Y64 PolarHBondContact O-N 3.46Å; Q61-Y64 PolarHBondContact O-N 3.44Å; Y64-G66 PolarHBondContact O-N 3.44Å; Y64-P86 HydrophobicContact CD2-CB 3.92Å; Y64-P86 HydrophobicContact CD2-CG 3.53Å; Y64-P86 HydrophobicContact CE2-CG 4.31Å; Y64-P86 HydrophobicContact CG-CB 3.82Å; Y64-P86 HydrophobicContact CG-CG 3.95Å
65	D	74.3	Confident	77.5	Confident	84 Å²	84	52.3 Å²	52.3	45%	0.449	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-0.5	179.5	-66	-21.1	0	0	0	113.1	Q61 Y67	Q61-D65 VanDerWaalsContact NE2-CG 3.34Å; Q61-D65 PolarHBondContact NE2-OD1 3.13Å; Q61-D65 PolarHBondContact NE2-OD2 3.39Å; Q61-D65 VanDerWaalsContact NE2-OD2 3.13Å; Q61-D65 WeakPolarHBondContact O-CB 3.34Å; Q61-D65 PolarHBondContact O-N 2.65Å; D65-Y67 HydrophobicContact CB-CD2 3.71Å; D65-Y67 HydrophobicContact CB-CE2 3.83Å
66	G	69.9	Low	77.6	Confident	49 Å²	49	55.9 Å²	55.9	51%	0.505	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	7.5	175.1	0	0	0	0	0	115.7	L62 L63 Y64 I68	L62-G66 PolarHBondContact O-N 2.97Å; L63-G66 PolarHBondContact O-N 3.21Å; Y64-G66 PolarHBondContact O-N 3.44Å; G66-I68 PolarHBondContact O-N 3.26Å
67	Y	80.5	Confident	77.6	Confident	84 Å²	84	62.4 Å²	62.4	33%	0.329	34%	0.336	S	S	.	.			trans	-82.5	57.6	178	-63.1	-75.2	0	0	0	112.7	L62 D65 S69 I70 A71	L62-Y67 HydrophobicContact CD2-CD2 4.11Å; L62-Y67 HydrophobicContact CD2-CG 4.27Å; L62-Y67 WeakPolarHBondContact O-CA 3.46Å; L62-Y67 PolarHBondContact O-N 2.7Å; D65-Y67 HydrophobicContact CB-CD2 3.71Å; D65-Y67 HydrophobicContact CB-CE2 3.83Å; Y67-S69 PolarHBondContact O-N 3.18Å; Y67-I70 HydrophobicContact CD1-CD1 4.47Å; Y67-I70 PolarHBondContact O-N 2.93Å; Y67-A71 WeakPolarHBondContact O-CB 3.26Å; Y67-A71 PolarHBondContact O-N 3.24Å
68	I	75.4	Confident	77.7	Confident	98 Å²	98	64.3 Å²	64.3	50%	0.503	35%	0.345	S	S	.	.	H	α-helix	trans	-63.1	-37.8	-168.8	-61.2	168.7	0	0	0	112.8	G66 N72	G66-I68 PolarHBondContact O-N 3.26Å; I68-N72 WeakPolarHBondContact CG2-ND2 3.43Å; I68-N72 WeakPolarHBondContact O-CB 3.33Å; I68-N72 VanDerWaalsContact O-CG 3.24Å; I68-N72 PolarHBondContact O-N 3.45Å; I68-N72 PolarHBondContact O-ND2 3.44Å
69	S	76.8	Confident	77.6	Confident	100 Å²	100	71.1 Å²	71.1	70%	0.699	37%	0.374	S	S	*	.	H	α-helix	trans	-65.5	-42.9	-179.5	52.6	0	0	0	0	112.6	Y67 G73	Y67-S69 PolarHBondContact O-N 3.18Å; S69-G73 PolarHBondContact O-N 3.01Å; S69-G73 VanDerWaalsContact O-N 3.13Å
70	I	76.5	Confident	77	Confident	92 Å²	92	72.4 Å²	72.4	47%	0.472	38%	0.383	S	S	.	.	H	α-helix	trans	-70.7	-43.6	179.2	-59.7	173.5	0	0	0	110	L62 Y67 N72 G73 L74	L62-I70 HydrophobicContact CD1-CG2 4.09Å; Y67-I70 HydrophobicContact CD1-CD1 4.47Å; Y67-I70 PolarHBondContact O-N 2.93Å; I70-N72 PolarHBondContact O-N 3.26Å; I70-G73 PolarHBondContact O-N 3.37Å; I70-L74 HydrophobicContact CG2-CD1 4.14Å; I70-L74 PolarHBondContact O-N 3.08Å
71	A	78.7	Confident	76	Confident	0 Å²	0	80.8 Å²	80.8	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-58.8	-45.7	175.9	0	0	0	0	0	111.9	L62 L63 Y67 G73 L74 I75	L62-A71 HydrophobicContact CB-CB 3.96Å; L63-A71 HydrophobicContact CD2-CB 3.62Å; L63-A71 HydrophobicContact CG-CB 3.77Å; Y67-A71 WeakPolarHBondContact O-CB 3.26Å; Y67-A71 PolarHBondContact O-N 3.24Å; A71-G73 VanDerWaalsContact C-N 3.33Å; A71-G73 PolarHBondContact O-N 3.06Å; A71-L74 PolarHBondContact O-N 3.13Å; A71-I75 VanDerWaalsContact O-CG1 3.24Å; A71-I75 WeakPolarHBondContact O-CG1 3.41Å; A71-I75 PolarHBondContact O-N 3.46Å
72	N	78.5	Confident	75.1	Confident	73 Å²	73	81.8 Å²	81.8	39%	0.39	43%	0.433	S	S	.	.	H	α-helix	trans	-65.4	-33.9	178	-74.8	-27	0	0	0	112.9	I68 I70 I75 N76	I68-N72 WeakPolarHBondContact CG2-ND2 3.43Å; I68-N72 WeakPolarHBondContact O-CB 3.33Å; I68-N72 VanDerWaalsContact O-CG 3.24Å; I68-N72 PolarHBondContact O-N 3.45Å; I68-N72 PolarHBondContact O-ND2 3.44Å; I70-N72 PolarHBondContact O-N 3.26Å; N72-I75 PolarHBondContact O-N 3.11Å; N72-N76 VanDerWaalsContact O-CG 3.29Å; N72-N76 PolarHBondContact O-N 3.4Å; N72-N76 VanDerWaalsContact O-N 3.11Å; N72-N76 PolarHBondContact O-ND2 3.27Å
73	G	81.6	Confident	74.2	Confident	38 Å²	38	84.6 Å²	84.6	39%	0.392	45%	0.451	S	S	.	.	H	α-helix	trans	-61.9	-47.3	171.5	0	0	0	0	0	112.3	S69 I70 A71 N76 E77	S69-G73 PolarHBondContact O-N 3.01Å; S69-G73 VanDerWaalsContact O-N 3.13Å; I70-G73 PolarHBondContact O-N 3.37Å; A71-G73 VanDerWaalsContact C-N 3.33Å; A71-G73 PolarHBondContact O-N 3.06Å; G73-N76 PolarHBondContact O-N 3.25Å; G73-E77 PolarHBondContact O-N 3.36Å
74	L	78.9	Confident	73.3	Confident	45 Å²	45	83.5 Å²	83.5	24%	0.236	45%	0.448	C	S	.	.	H	α-helix	trans	-64	-39.7	176.4	-84.9	151.6	0	0	0	112.7	I59 L62 I70 A71 N76 E77 I78	I59-L74 HydrophobicContact CD1-CB 4.09Å; I59-L74 HydrophobicContact CG1-CB 3.83Å; L62-L74 HydrophobicContact CD1-CD1 3.59Å; I70-L74 HydrophobicContact CG2-CD1 4.14Å; I70-L74 PolarHBondContact O-N 3.08Å; A71-L74 PolarHBondContact O-N 3.13Å; L74-N76 VanDerWaalsContact C-N 3.34Å; L74-N76 PolarHBondContact O-N 3.21Å; L74-E77 PolarHBondContact O-N 3.37Å; L74-I78 HydrophobicContact CB-CD1 4.45Å; L74-I78 HydrophobicContact CD2-CD1 3.5Å; L74-I78 VanDerWaalsContact O-CB 3.29Å; L74-I78 WeakPolarHBondContact O-CB 3.45Å; L74-I78 WeakPolarHBondContact O-CG1 3.34Å; L74-I78 PolarHBondContact O-N 3.38Å
75	I	79.6	Confident	72.3	Confident	42 Å²	42	79.5 Å²	79.5	22%	0.215	45%	0.449	C	S	.	.	H	α-helix	trans	-61	-43.5	176.6	-72.2	165	0	0	0	111	I59 L63 A71 N72 E77 K79	I59-I75 HydrophobicContact CD1-CG1 4.06Å; I59-I75 HydrophobicContact CG1-CG1 4.43Å; I59-I75 HydrophobicContact CG2-CD1 3.69Å; I59-I75 HydrophobicContact CG2-CG1 3.52Å; L63-I75 HydrophobicContact CD1-CD1 4.45Å; A71-I75 VanDerWaalsContact O-CG1 3.24Å; A71-I75 WeakPolarHBondContact O-CG1 3.41Å; A71-I75 PolarHBondContact O-N 3.46Å; N72-I75 PolarHBondContact O-N 3.11Å; I75-E77 PolarHBondContact O-N 3.18Å; I75-K79 WeakPolarHBondContact O-CA 3.32Å; I75-K79 PolarHBondContact O-N 3.16Å
76	N	80.4	Confident	71.5	Confident	119 Å²	119	78.6 Å²	78.6	64%	0.636	45%	0.447	S	S	*	.	H	α-helix	trans	-67.3	-36.3	-178.4	-75.2	-25.8	0	0	0	113	N72 G73 L74	N72-N76 VanDerWaalsContact O-CG 3.29Å; N72-N76 PolarHBondContact O-N 3.4Å; N72-N76 VanDerWaalsContact O-N 3.11Å; N72-N76 PolarHBondContact O-ND2 3.27Å; G73-N76 PolarHBondContact O-N 3.25Å; L74-N76 VanDerWaalsContact C-N 3.34Å; L74-N76 PolarHBondContact O-N 3.21Å
77	E	80.6	Confident	71	Confident	163 Å²	163	77.7 Å²	77.7	76%	0.762	43%	0.433	S	S	*	.	H	α-helix	trans	-75.8	-46.8	177.6	-77.4	-66.3	157.9	0	0	112.4	G73 L74 I75	G73-E77 PolarHBondContact O-N 3.36Å; L74-E77 PolarHBondContact O-N 3.37Å; I75-E77 PolarHBondContact O-N 3.18Å
78	I	77.6	Confident	70	Confident	46 Å²	46	79.4 Å²	79.4	24%	0.236	44%	0.444	C	S	.	.	H	α-helix	trans	-88.4	-24.8	-169	-60.6	172.5	0	0	0	111.8	Y55 L74	Y55-I78 HydrophobicContact CD1-CD1 3.8Å; Y55-I78 HydrophobicContact CD2-CD1 3.91Å; Y55-I78 HydrophobicContact CD2-CG2 3.99Å; Y55-I78 HydrophobicContact CE1-CD1 4.36Å; Y55-I78 HydrophobicContact CE2-CD1 4.45Å; Y55-I78 HydrophobicContact CG-CD1 3.57Å; Y55-I78 HydrophobicContact CG-CG2 4.31Å; L74-I78 HydrophobicContact CB-CD1 4.45Å; L74-I78 HydrophobicContact CD2-CD1 3.5Å; L74-I78 VanDerWaalsContact O-CB 3.29Å; L74-I78 WeakPolarHBondContact O-CB 3.45Å; L74-I78 WeakPolarHBondContact O-CG1 3.34Å; L74-I78 PolarHBondContact O-N 3.38Å
79	K	77.1	Confident	69.3	Low	168 Å²	168	75.7 Å²	75.7	73%	0.73	43%	0.425	S	S	*	.			trans	45	58.2	-177.1	-61.6	-178.4	-179.4	176.1	0	112.6	I75 Q81	I75-K79 WeakPolarHBondContact O-CA 3.32Å; I75-K79 PolarHBondContact O-N 3.16Å; K79-Q81 PolarHBondContact O-N 3.41Å
80	P	65.9	Low	68.9	Low	28 Å²	28	72.1 Å²	72.1	18%	0.182	40%	0.397	C	S	.	.			trans	-62.2	138.7	-179	27.3	-33.8	0	0	0	110.7	K56 I59 S82	K56-P80 HydrophobicContact CG-CB 3.99Å; I59-P80 HydrophobicContact CD1-CG 4.12Å; P80-S82 PolarHBondContact O-N 3.19Å
81	Q	57.5	Low	68.5	Low	181 Å²	181	71.2 Å²	71.2	85%	0.846	39%	0.393	S	S	*	.	S	Bend	trans	-61.9	-25.6	179.8	-73.3	176.7	-17.8	0	0	113.5	K79	K79-Q81 PolarHBondContact O-N 3.41Å
82	S	58.6	Low	67.6	Low	65 Å²	65	74.4 Å²	74.4	46%	0.455	41%	0.408	S	S	.	.			trans	-156.6	150.4	176.5	61.5	0	0	0	0	110	K56 P80	K56-S82 WeakPolarHBondContact CD-O 3.47Å; K56-S82 WeakPolarHBondContact CE-O 3.28Å; K56-S82 PolarHBondContact NZ-OG 3.12Å; K56-S82 VanDerWaalsContact NZ-OG 3.12Å; P80-S82 PolarHBondContact O-N 3.19Å
83	V	57.6	Low	66.9	Low	76 Å²	76	75 Å²	75	46%	0.461	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-102.2	122.1	171.4	-173.4	0	0	0	0	107.4	I59 L63	I59-V83 HydrophobicContact CG2-CG1 4.46Å; L63-V83 HydrophobicContact CD1-CG1 4.06Å
84	C	59.4	Low	66.1	Low	39 Å²	39	76.3 Å²	76.3	26%	0.264	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-80.8	160.6	177.8	56.6	0	0	0	0	111.4	S60	S60-C84 WeakPolarHBondContact CB-O 3.45Å; S60-C84 PolarHBondContact OG-O 2.77Å
85	A	52.7	Low	65.2	Low	80 Å²	80	78.8 Å²	78.8	66%	0.661	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-67.6	148.8	171.4	0	0	0	0	0	110.8	S60 S87	S60-A85 PolarHBondContact OG-O 3.2Å; A85-S87 PolarHBondContact O-N 3.17Å
86	P	56.8	Low	64.3	Low	64 Å²	64	79.7 Å²	79.7	42%	0.416	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-61.9	134.1	-178.1	22.1	-30.9	0	0	0	110.9	S60 Y64	S60-P86 VanDerWaalsContact OG-CA 3.26Å; S60-P86 WeakPolarHBondContact OG-CA 3.44Å; S60-P86 VanDerWaalsContact OG-N 3.08Å; Y64-P86 HydrophobicContact CD2-CB 3.92Å; Y64-P86 HydrophobicContact CD2-CG 3.53Å; Y64-P86 HydrophobicContact CE2-CG 4.31Å; Y64-P86 HydrophobicContact CG-CB 3.82Å; Y64-P86 HydrophobicContact CG-CG 3.95Å
87	S	60.8	Low	63.2	Low	30 Å²	30	75.9 Å²	75.9	21%	0.21	41%	0.41	C	S	.	.			trans	-142.4	154.7	-175.8	65.3	0	0	0	0	111.4	A85 Q89	A85-S87 PolarHBondContact O-N 3.17Å; S87-Q89 PolarHBondContact O-N 2.97Å; S87-Q89 WeakPolarHBondContact OG-CB 3.25Å; S87-Q89 VanDerWaalsContact OG-CG 3.31Å; S87-Q89 WeakPolarHBondContact OG-CG 3.41Å
88	E	59.4	Low	62	Low	120 Å²	120	74.7 Å²	74.7	56%	0.561	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-1.4	173.6	-72.9	-104	143.5	0	0	112.9	L90 L91 H92	E88-L90 VanDerWaalsContact C-N 3.29Å; E88-L90 PolarHBondContact O-N 2.93Å; E88-L91 CarbonylContact O-C 3.53Å; E88-L91 WeakPolarHBondContact O-CA 3.38Å; E88-L91 WeakPolarHBondContact O-CB 2.76Å; E88-L91 PolarHBondContact O-N 3.33Å; E88-L91 WeakPolarHBondContact OE2-CD2 3.17Å; E88-H92 PolarHBondContact O-N 3.23Å
89	Q	59.5	Low	60.6	Low	21 Å²	21	78.6 Å²	78.6	10%	0.098	42%	0.424	C	S	.	.	H	α-helix	trans	-54.5	-43	179.8	-70.5	-176.5	-4.7	0	0	112.7	L57 S87 L91 H92 L93 E124 F125	L57-Q89 HydrophobicContact CD1-CB 3.84Å; L57-Q89 HydrophobicContact CD2-CB 4.04Å; S87-Q89 PolarHBondContact O-N 2.97Å; S87-Q89 WeakPolarHBondContact OG-CB 3.25Å; S87-Q89 VanDerWaalsContact OG-CG 3.31Å; S87-Q89 WeakPolarHBondContact OG-CG 3.41Å; Q89-L91 VanDerWaalsContact C-N 3.33Å; Q89-H92 PolarHBondContact O-N 2.67Å; Q89-L93 WeakPolarHBondContact O-CB 3.45Å; Q89-L93 WeakPolarHBondContact O-CG 3.24Å; Q89-L93 PolarHBondContact O-N 3.39Å; Q89-E124 VanDerWaalsContact CD-O 3.28Å; Q89-E124 WeakPolarHBondContact CG-O 3.28Å; Q89-E124 PolarHBondContact NE2-O 3.03Å; Q89-F125 PolarHBondContact NE2-O 3.45Å
90	L	70.1	Confident	59.3	Low	24 Å²	24	75.3 Å²	75.3	13%	0.126	41%	0.414	C	S	.	.	H	α-helix	trans	-64.1	-43.3	178.5	-176.1	62.7	0	0	0	110.5	L54 L57 I58 Q61 E88 L93 I94	L54-L90 HydrophobicContact CD1-CD1 4Å; L57-L90 HydrophobicContact CB-CB 4.32Å; I58-L90 HydrophobicContact CG1-CD1 3.71Å; I58-L90 HydrophobicContact CG1-CD2 4.08Å; Q61-L90 HydrophobicContact CB-CD2 3.78Å; Q61-L90 HydrophobicContact CG-CD2 4.07Å; E88-L90 VanDerWaalsContact C-N 3.29Å; E88-L90 PolarHBondContact O-N 2.93Å; L90-L93 PolarHBondContact O-N 2.85Å; L90-I94 HydrophobicContact CD1-CD1 4.33Å; L90-I94 HydrophobicContact CG-CD1 3.97Å; L90-I94 WeakPolarHBondContact O-CB 3.28Å; L90-I94 WeakPolarHBondContact O-CD1 3.31Å; L90-I94 WeakPolarHBondContact O-CG1 3.37Å; L90-I94 PolarHBondContact O-N 3.5Å
91	L	67.3	Low	58.4	Low	73 Å²	73	79.4 Å²	79.4	38%	0.382	44%	0.435	S	S	.	.	H	α-helix	trans	-66.4	-40	178.6	-176	64.6	0	0	0	111.5	E88 Q89 I94 K95	E88-L91 CarbonylContact O-C 3.53Å; E88-L91 WeakPolarHBondContact O-CA 3.38Å; E88-L91 WeakPolarHBondContact O-CB 2.76Å; E88-L91 PolarHBondContact O-N 3.33Å; E88-L91 WeakPolarHBondContact OE2-CD2 3.17Å; Q89-L91 VanDerWaalsContact C-N 3.33Å; L91-I94 PolarHBondContact O-N 2.9Å; L91-K95 WeakPolarHBondContact O-CG 3.33Å; L91-K95 PolarHBondContact O-N 3.43Å
92	H	59.4	Low	57.5	Low	68 Å²	68	77.6 Å²	77.6	32%	0.315	43%	0.431	S	S	.	.	H	α-helix	trans	-69	-41.8	176.4	-174.5	73.4	0	0	0	112.2	E88 Q89 I94 K95 L96 F125	E88-H92 PolarHBondContact O-N 3.23Å; Q89-H92 PolarHBondContact O-N 2.67Å; H92-I94 VanDerWaalsContact C-N 3.26Å; H92-I94 PolarHBondContact O-N 3.47Å; H92-K95 CarbonylContact O-C 3.57Å; H92-K95 WeakPolarHBondContact O-CB 3.33Å; H92-K95 PolarHBondContact O-N 3.17Å; H92-K95 VanDerWaalsContact O-N 3.12Å; H92-L96 VanDerWaalsContact CD2-CD1 3.43Å; H92-L96 WeakPolarHBondContact CD2-CD1 3.39Å; H92-L96 VanDerWaalsContact NE2-CD1 3.25Å; H92-L96 WeakPolarHBondContact NE2-CD1 3.29Å; H92-L96 WeakPolarHBondContact NE2-CG 3.37Å; H92-L96 WeakPolarHBondContact O-CB 3.36Å; H92-L96 WeakPolarHBondContact O-CG 3.13Å; H92-L96 PolarHBondContact O-N 2.96Å; H92-F125 HydrophobicContact CB-CE1 3.68Å; H92-F125 HydrophobicContact CB-CZ 4.14Å; H92-F125 AromaticContact CD2-CE1 3.26Å; H92-F125 WeakPolarHBondContact CD2-CE1 3.4Å; H92-F125 AromaticContact CD2-CZ 3.95Å; H92-F125 AromaticContact CG-CE1 3.45Å; H92-F125 VanDerWaalsContact CG-CE1 3.45Å; H92-F125 AromaticContact CG-CZ 3.83Å; H92-F125 AromaticContact NE2-CE1 3.94Å
93	L	63.1	Low	56.4	Low	85 Å²	85	79.5 Å²	79.5	45%	0.445	44%	0.44	S	S	.	.	H	α-helix	trans	-61.2	-37.1	172.2	-78.1	169	0	0	0	111.6	L54 L57 Q89 L90 G97	L54-L93 HydrophobicContact CD1-CD1 4.3Å; L57-L93 HydrophobicContact CD1-CD1 3.95Å; Q89-L93 WeakPolarHBondContact O-CB 3.45Å; Q89-L93 WeakPolarHBondContact O-CG 3.24Å; Q89-L93 PolarHBondContact O-N 3.39Å; L90-L93 PolarHBondContact O-N 2.85Å; L93-G97 PolarHBondContact O-N 2.93Å
94	I	64.8	Low	55.2	Low	65 Å²	65	80.6 Å²	80.6	33%	0.333	46%	0.457	S	S	.	.	H	α-helix	trans	-65.1	-45.9	172.3	-70.7	164.9	0	0	0	110	L90 L91 H92 G97 M98	L90-I94 HydrophobicContact CD1-CD1 4.33Å; L90-I94 HydrophobicContact CG-CD1 3.97Å; L90-I94 WeakPolarHBondContact O-CB 3.28Å; L90-I94 WeakPolarHBondContact O-CD1 3.31Å; L90-I94 WeakPolarHBondContact O-CG1 3.37Å; L90-I94 PolarHBondContact O-N 3.5Å; L91-I94 PolarHBondContact O-N 2.9Å; H92-I94 VanDerWaalsContact C-N 3.26Å; H92-I94 PolarHBondContact O-N 3.47Å; I94-G97 PolarHBondContact O-N 3.3Å; I94-M98 HydrophobicContact CG2-CG 4.42Å; I94-M98 HydrophobicContact CG2-SD 3.81Å; I94-M98 WeakPolarHBondContact O-CB 3.37Å; I94-M98 WeakPolarHBondContact O-CG 3.32Å; I94-M98 PolarHBondContact O-N 3.05Å
95	K	60.1	Low	54	Low	98 Å²	98	84.2 Å²	84.2	43%	0.426	48%	0.477	S	S	.	.	H	α-helix	trans	-61.4	-49.4	176.4	-75.7	172.7	-178.7	169.3	0	111.9	L91 H92 G97 M98 E99	L91-K95 WeakPolarHBondContact O-CG 3.33Å; L91-K95 PolarHBondContact O-N 3.43Å; H92-K95 CarbonylContact O-C 3.57Å; H92-K95 WeakPolarHBondContact O-CB 3.33Å; H92-K95 PolarHBondContact O-N 3.17Å; H92-K95 VanDerWaalsContact O-N 3.12Å; K95-G97 VanDerWaalsContact C-N 3.31Å; K95-G97 PolarHBondContact O-N 2.64Å; K95-M98 CarbonylContact O-C 3.59Å; K95-M98 WeakPolarHBondContact O-CA 3.3Å; K95-M98 WeakPolarHBondContact O-CB 3.46Å; K95-M98 PolarHBondContact O-N 3.49Å; K95-E99 WeakPolarHBondContact O-CB 3.5Å; K95-E99 WeakPolarHBondContact O-CG 3.23Å; K95-E99 PolarHBondContact O-N 3.12Å
96	L	61.6	Low	52.8	Low	61 Å²	61	89.2 Å²	89.2	32%	0.319	49%	0.487	S	S	.	.	H	α-helix	trans	-58.9	-40.4	173.4	-77.6	176.8	0	0	0	111.9	H92 M98 E99 N100	H92-L96 VanDerWaalsContact CD2-CD1 3.43Å; H92-L96 WeakPolarHBondContact CD2-CD1 3.39Å; H92-L96 VanDerWaalsContact NE2-CD1 3.25Å; H92-L96 WeakPolarHBondContact NE2-CD1 3.29Å; H92-L96 WeakPolarHBondContact NE2-CG 3.37Å; H92-L96 WeakPolarHBondContact O-CB 3.36Å; H92-L96 WeakPolarHBondContact O-CG 3.13Å; H92-L96 PolarHBondContact O-N 2.96Å; L96-M98 VanDerWaalsContact C-N 3.26Å; L96-M98 PolarHBondContact O-N 2.87Å; L96-E99 PolarHBondContact O-N 2.9Å; L96-N100 WeakPolarHBondContact O-CB 3.43Å; L96-N100 PolarHBondContact O-N 3.06Å; L96-N100 PolarHBondContact O-ND2 2.92Å
97	G	57.8	Low	51.6	Low	38 Å²	38	96.4 Å²	96.4	39%	0.392	51%	0.508	S	S	.	.	H	α-helix	trans	-68.4	-26.3	175.4	0	0	0	0	0	113.4	L93 I94 K95	L93-G97 PolarHBondContact O-N 2.93Å; I94-G97 PolarHBondContact O-N 3.3Å; K95-G97 VanDerWaalsContact C-N 3.31Å; K95-G97 PolarHBondContact O-N 2.64Å
98	M	54.9	Low	49.9	Very low	138 Å²	138	99.9 Å²	99.9	68%	0.68	54%	0.538	S	S	*	.	H	α-helix	trans	-82.9	-31.9	173.4	-71.5	175.9	65.7	0	0	112.4	I94 K95 L96	I94-M98 HydrophobicContact CG2-CG 4.42Å; I94-M98 HydrophobicContact CG2-SD 3.81Å; I94-M98 WeakPolarHBondContact O-CB 3.37Å; I94-M98 WeakPolarHBondContact O-CG 3.32Å; I94-M98 PolarHBondContact O-N 3.05Å; K95-M98 CarbonylContact O-C 3.59Å; K95-M98 WeakPolarHBondContact O-CA 3.3Å; K95-M98 WeakPolarHBondContact O-CB 3.46Å; K95-M98 PolarHBondContact O-N 3.49Å; L96-M98 VanDerWaalsContact C-N 3.26Å; L96-M98 PolarHBondContact O-N 2.87Å
99	E	49	Very low	48.4	Very low	128 Å²	128	102 Å²	102	60%	0.598	55%	0.551	S	S	*	*	H	α-helix	trans	-79.9	-31.4	175.6	-72.5	171.2	-176.1	0	0	112	K95 L96 D101 D102	K95-E99 WeakPolarHBondContact O-CB 3.5Å; K95-E99 WeakPolarHBondContact O-CG 3.23Å; K95-E99 PolarHBondContact O-N 3.12Å; L96-E99 PolarHBondContact O-N 2.9Å; E99-D101 PolarHBondContact O-N 3.4Å; E99-D101 VanDerWaalsContact O-N 3.12Å; E99-D102 PolarHBondContact O-N 3.03Å; E99-D102 VanDerWaalsContact O-N 3.11Å
100	N	49.5	Very low	46.9	Very low	99 Å²	99	104.3 Å²	104.3	53%	0.529	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.9	4.5	176.8	-83.6	-40.2	0	0	0	114.6	L96 D102 T103	L96-N100 WeakPolarHBondContact O-CB 3.43Å; L96-N100 PolarHBondContact O-N 3.06Å; L96-N100 PolarHBondContact O-ND2 2.92Å; N100-D102 PolarHBondContact O-N 3.47Å; N100-T103 PolarHBondContact OD1-O 3.28Å
101	D	45.9	Very low	45	Very low	115 Å²	115	115 Å²	115	62%	0.615	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-9.2	161.9	-100.2	5.1	0	0	0	111.4	K40 E99	K40-D101 IonicContact NZ-OD1 3.3Å; K40-D101 PolarHBondContact NZ-OD1 3.33Å; E99-D101 PolarHBondContact O-N 3.4Å; E99-D101 VanDerWaalsContact O-N 3.12Å
102	D	39.6	Very low	43.2	Very low	142 Å²	142	115.4 Å²	115.4	76%	0.759	63%	0.629	S	S	*	*	S	Bend	trans	-129.9	-1.8	-175.5	-94	-28.3	0	0	0	119.3	E99 N100	E99-D102 PolarHBondContact O-N 3.03Å; E99-D102 VanDerWaalsContact O-N 3.11Å; N100-D102 PolarHBondContact O-N 3.47Å
103	T	34.5	Very low	42.2	Very low	106 Å²	106	120.4 Å²	120.4	65%	0.65	66%	0.658	S	S	*	*			trans	-169.1	126	166.3	12.1	0	0	0	0	113.6	N100 V105	N100-T103 PolarHBondContact OD1-O 3.28Å; T103-V105 PolarHBondContact O-N 2.83Å
104	A	33	Very low	41	Very low	99 Å²	99	121.2 Å²	121.2	82%	0.818	67%	0.666	S	S	*	*			trans	-80.3	114.9	172.7	0	0	0	0	0	110.6
105	V	33.1	Very low	40	Very low	114 Å²	114	120.7 Å²	120.7	69%	0.691	67%	0.666	S	S	*	*			trans	-105	123.9	169	-179.1	0	0	0	0	109.7	T103	T103-V105 PolarHBondContact O-N 2.83Å
106	Q	28.6	Very low	39.3	Very low	186 Å²	186	119.3 Å²	119.3	87%	0.869	67%	0.673	S	S	*	*			trans	-90.2	118.4	-178.7	-136.4	139.3	-6.1	0	0	109.2
107	Y	30.6	Very low	38.9	Very low	215 Å²	215	119.6 Å²	119.6	84%	0.843	68%	0.678	S	S	*	*			trans	-84.9	117.3	170.1	-77.6	-83	0	0	0	110.1
108	A	25.8	Very low	38.8	Very low	102 Å²	102	119.1 Å²	119.1	84%	0.843	67%	0.673	S	S	*	*			trans	-89	114.8	168.7	0	0	0	0	0	109.3
109	I	28.9	Very low	39	Very low	164 Å²	164	118.7 Å²	118.7	84%	0.841	68%	0.678	S	S	*	*			trans	-89	102.8	169.3	-60.5	174.7	0	0	0	107.3
110	G	27	Very low	39.7	Very low	70 Å²	70	112.8 Å²	112.8	72%	0.722	65%	0.652	S	S	*	*			trans	-91.7	122.1	164.6	0	0	0	0	0	109.8	S112	G110-S112 PolarHBondContact O-N 3.39Å
111	R	30.7	Very low	40.9	Very low	248 Å²	248	108 Å²	108	94%	0.936	63%	0.627	S	S	*	*			trans	-68.7	121.1	168.5	-81.4	-178.7	173.5	178.5	-3.7	109.2
112	S	30.1	Very low	42.3	Very low	82 Å²	82	103.8 Å²	103.8	57%	0.573	60%	0.604	S	S	*	*			trans	-120.7	132.1	163.5	-179.9	0	0	0	0	107.4	G110 T114	G110-S112 PolarHBondContact O-N 3.39Å; S112-T114 PolarHBondContact O-N 2.85Å; S112-T114 PolarHBondContact OG-OG1 2.88Å; S112-T114 VanDerWaalsContact OG-OG1 3.14Å
113	D	36.9	Very low	43.7	Very low	173 Å²	173	98.6 Å²	98.6	93%	0.925	58%	0.576	S	S	*	*	S	Bend	trans	-75	1.9	-177.4	-67	-40.5	0	0	0	113.6
114	T	38.2	Very low	45	Very low	103 Å²	103	96.1 Å²	96.1	63%	0.632	56%	0.557	S	S	*	*	S	Bend	trans	-103.4	115.2	161.5	49.5	0	0	0	0	107.8	S112 A116	S112-T114 PolarHBondContact O-N 2.85Å; S112-T114 PolarHBondContact OG-OG1 2.88Å; S112-T114 VanDerWaalsContact OG-OG1 3.14Å; T114-A116 PolarHBondContact O-N 3.12Å
115	V	45	Very low	46	Very low	54 Å²	54	95.3 Å²	95.3	33%	0.327	54%	0.535	S	S	.	.			trans	-63.5	107.2	172.3	-175.8	0	0	0	0	106.5	M132 T404	V115-M132 HydrophobicContact CG1-CB 4.32Å; V115-M132 HydrophobicContact CG2-CB 4.22Å; V115-M132 WeakPolarHBondContact CG2-O 3.43Å; V115-T404 HydrophobicContact CG1-CG2 3.66Å
116	A	44	Very low	47.2	Very low	68 Å²	68	92 Å²	92	56%	0.562	51%	0.513	S	S	*	.			trans	-54.6	148.4	176.9	0	0	0	0	0	109	T114 G118	T114-A116 PolarHBondContact O-N 3.12Å; A116-G118 PolarHBondContact O-N 2.9Å
117	P	54.8	Low	48.6	Very low	68 Å²	68	85.2 Å²	85.2	44%	0.442	49%	0.49	S	S	.	.			trans	-53.9	112.3	175.4	-13.3	22.7	0	0	0	107.9	K356	P117-K356 VanDerWaalsContact CB-NZ 3.29Å
118	G	55.3	Low	49.7	Very low	27 Å²	27	80.5 Å²	80.5	28%	0.278	48%	0.479	S	S	.	.			trans	-56.8	159.7	-176.4	0	0	0	0	0	111.6	A116 G120 K356	A116-G118 PolarHBondContact O-N 2.9Å; G118-G120 PolarHBondContact O-N 3.37Å; G118-K356 WeakPolarHBondContact O-CD 3.32Å
119	T	59.3	Low	51.5	Low	129 Å²	129	78.8 Å²	78.8	79%	0.791	46%	0.458	S	S	*	.	S	Bend	trans	-64.4	1.4	177.1	43.3	0	0	0	0	114
120	G	62.2	Low	53	Low	4 Å²	4	78.9 Å²	78.9	4%	0.041	46%	0.455	C	S	.	.			trans	96.1	160	-175.7	0	0	0	0	0	111.8	G118 D122 E405	G118-G120 PolarHBondContact O-N 3.37Å; G120-D122 PolarHBondContact O-N 3.36Å; G120-E405 WeakPolarHBondContact CA-OE2 3.49Å
121	I	74.8	Confident	54.9	Low	0 Å²	0	77.6 Å²	77.6	0%	0	43%	0.433	C	S	.	.			trans	-63	123.3	175	-170.6	-177.1	0	0	0	108.9	L123 N357 Y360 L372 F401 E405 S423 R424	I121-L123 HydrophobicContact CD1-CD1 4.47Å; I121-L123 HydrophobicContact CD1-CD2 3.9Å; I121-L123 HydrophobicContact CD1-CG 4.06Å; I121-L123 HydrophobicContact CG1-CD2 4.17Å; I121-L123 HydrophobicContact CG1-CG 4.22Å; I121-N357 PolarHBondContact O-ND2 3.48Å; I121-Y360 HydrophobicContact CG2-CD2 3.84Å; I121-Y360 HydrophobicContact CG2-CE2 4.37Å; I121-Y360 WeakPolarHBondContact O-CD2 3.39Å; I121-Y360 WeakPolarHBondContact O-CE2 3.35Å; I121-L372 HydrophobicContact CD1-CD2 4.03Å; I121-F401 HydrophobicContact CG2-CE1 4.47Å; I121-F401 HydrophobicContact CG2-CZ 4.27Å; I121-E405 HydrophobicContact CB-CB 4.06Å; I121-E405 HydrophobicContact CG2-CB 4.27Å; I121-E405 PolarHBondContact N-OE2 3.28Å; I121-S423 VanDerWaalsContact CD1-OG 3.25Å; I121-S423 WeakPolarHBondContact CD1-OG 3.5Å; I121-R424 HydrophobicContact CD1-CG 4.03Å; I121-R424 HydrophobicContact CG1-CG 4.15Å
122	D	75.5	Confident	56.7	Low	26 Å²	26	72.2 Å²	72.2	14%	0.139	42%	0.42	C	S	.	.			trans	-125.5	88	174	-158.3	-16.3	0	0	0	110	G120 E124 F125 D126 K359	G120-D122 PolarHBondContact O-N 3.36Å; D122-E124 PolarHBondContact O-N 3.31Å; D122-E124 VanDerWaalsContact O-N 3.12Å; D122-E124 WeakPolarHBondContact OD1-CB 3.01Å; D122-E124 PolarHBondContact OD1-N 2.94Å; D122-F125 PolarHBondContact O-N 3.16Å; D122-F125 WeakPolarHBondContact OD2-CD2 3.15Å; D122-D126 WeakPolarHBondContact O-CB 3.18Å; D122-D126 PolarHBondContact O-N 3.29Å; D122-K359 VanDerWaalsContact CG-NZ 3.25Å; D122-K359 IonicContact OD1-NZ 3.94Å; D122-K359 PolarHBondContact OD1-NZ 3.17Å; D122-K359 IonicContact OD2-NZ 3.38Å; D122-K359 PolarHBondContact OD2-NZ 3.08Å
123	L	69.8	Low	58.9	Low	32 Å²	32	68.6 Å²	68.6	17%	0.168	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.5	-178.9	-64.6	173.5	0	0	0	112.4	I121 F125 Y360 L372 L381 V382 R424	I121-L123 HydrophobicContact CD1-CD1 4.47Å; I121-L123 HydrophobicContact CD1-CD2 3.9Å; I121-L123 HydrophobicContact CD1-CG 4.06Å; I121-L123 HydrophobicContact CG1-CD2 4.17Å; I121-L123 HydrophobicContact CG1-CG 4.22Å; L123-F125 VanDerWaalsContact C-N 3.27Å; L123-F125 PolarHBondContact O-N 2.81Å; L123-Y360 HydrophobicContact CD1-CE1 4.4Å; L123-Y360 PolarHBondContact N-OH 3.23Å; L123-Y360 VanDerWaalsContact N-OH 3.11Å; L123-L372 HydrophobicContact CD1-CD2 3.65Å; L123-L381 HydrophobicContact CD1-CB 4.42Å; L123-L381 HydrophobicContact CD1-CD1 4.13Å; L123-V382 HydrophobicContact CD1-CG2 4.06Å; L123-R424 HydrophobicContact CD2-CB 3.79Å; L123-R424 HydrophobicContact CD2-CG 3.77Å
124	E	61.3	Low	61.1	Low	55 Å²	55	61.1 Å²	61.1	26%	0.257	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-25	173	-62.4	171	-173.9	0	0	111.9	Q89 D122 K359	Q89-E124 VanDerWaalsContact CD-O 3.28Å; Q89-E124 WeakPolarHBondContact CG-O 3.28Å; Q89-E124 PolarHBondContact NE2-O 3.03Å; D122-E124 PolarHBondContact O-N 3.31Å; D122-E124 VanDerWaalsContact O-N 3.12Å; D122-E124 WeakPolarHBondContact OD1-CB 3.01Å; D122-E124 PolarHBondContact OD1-N 2.94Å; E124-K359 IonicContact OE1-NZ 3.98Å; E124-K359 IonicContact OE2-NZ 3.86Å; E124-K359 PolarHBondContact OE2-NZ 3Å
125	F	54.2	Low	63.3	Low	81 Å²	81	57.7 Å²	57.7	36%	0.355	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128	-26.5	-174	-64.1	-73.7	0	0	0	114.5	Q89 H92 D122 L123	Q89-F125 PolarHBondContact NE2-O 3.45Å; H92-F125 HydrophobicContact CB-CE1 3.68Å; H92-F125 HydrophobicContact CB-CZ 4.14Å; H92-F125 AromaticContact CD2-CE1 3.26Å; H92-F125 WeakPolarHBondContact CD2-CE1 3.4Å; H92-F125 AromaticContact CD2-CZ 3.95Å; H92-F125 AromaticContact CG-CE1 3.45Å; H92-F125 VanDerWaalsContact CG-CE1 3.45Å; H92-F125 AromaticContact CG-CZ 3.83Å; H92-F125 AromaticContact NE2-CE1 3.94Å; D122-F125 PolarHBondContact O-N 3.16Å; D122-F125 WeakPolarHBondContact OD2-CD2 3.15Å; L123-F125 VanDerWaalsContact C-N 3.27Å; L123-F125 PolarHBondContact O-N 2.81Å
126	D	59	Low	65.1	Low	44 Å²	44	55.2 Å²	55.2	24%	0.235	32%	0.318	C	S	.	.			trans	-112.6	23.9	-164.6	-70.2	-20.9	0	0	0	114.3	D122 D128 V129 R424	D122-D126 WeakPolarHBondContact O-CB 3.18Å; D122-D126 PolarHBondContact O-N 3.29Å; D126-D128 PolarHBondContact O-N 3.32Å; D126-V129 HydrophobicContact CB-CB 4.19Å; D126-V129 HydrophobicContact CB-CG2 3.54Å; D126-V129 PolarHBondContact O-N 3.34Å; D126-V129 WeakPolarHBondContact OD1-CG2 3.46Å; D126-R424 WeakPolarHBondContact O-CD 3.22Å; D126-R424 PolarHBondContact O-NE 2.59Å; D126-R424 VanDerWaalsContact O-NE 3.12Å
127	A	56.8	Low	67.2	Low	45 Å²	45	54.2 Å²	54.2	37%	0.372	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-25.6	-175.9	0	0	0	0	0	114.4
128	D	54.6	Low	68.9	Low	115 Å²	115	55 Å²	55	62%	0.615	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	21.8	-178.1	-67.8	-46.6	0	0	0	113.5	Q53 D126	Q53-D128 PolarHBondContact NE2-OD2 3.2Å; D126-D128 PolarHBondContact O-N 3.32Å
129	V	63	Low	70.8	Confident	67 Å²	67	54.2 Å²	54.2	41%	0.406	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-74.1	130.7	178.9	174.2	0	0	0	0	111	D126 T131	D126-V129 HydrophobicContact CB-CB 4.19Å; D126-V129 HydrophobicContact CB-CG2 3.54Å; D126-V129 PolarHBondContact O-N 3.34Å; D126-V129 WeakPolarHBondContact OD1-CG2 3.46Å; V129-T131 PolarHBondContact O-N 2.71Å
130	Q	61.1	Low	72.5	Confident	166 Å²	166	51.9 Å²	51.9	78%	0.776	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-67.2	119.7	174.4	-167.9	167.9	3.5	0	0	110.1	M132	Q130-M132 PolarHBondContact O-N 3.04Å
131	T	66	Low	74.1	Confident	43 Å²	43	53.9 Å²	53.9	26%	0.264	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-63.4	118.7	179.6	53	0	0	0	0	110.4	V129 D406 Y407	V129-T131 PolarHBondContact O-N 2.71Å; T131-D406 HydrophobicContact CG2-CB 3.99Å; T131-Y407 PolarHBondContact OG1-OH 3.04Å
132	M	68.3	Low	75.1	Confident	134 Å²	134	54.4 Å²	54.4	66%	0.66	29%	0.288	S	S	*	.			trans	-94	-10.8	177.2	-66.7	-60.5	-59.6	0	0	112.7	V115 Q130	V115-M132 HydrophobicContact CG1-CB 4.32Å; V115-M132 HydrophobicContact CG2-CB 4.22Å; V115-M132 WeakPolarHBondContact CG2-O 3.43Å; Q130-M132 PolarHBondContact O-N 3.04Å
133	S	77.8	Confident	76.1	Confident	6 Å²	6	55 Å²	55	4%	0.042	29%	0.289	C	S	.	.	S	Bend	trans	-83.1	147.6	180	57.7	0	0	0	0	112.2	N402 T404 D406 Y407	S133-N402 VanDerWaalsContact CB-ND2 3.28Å; S133-N402 WeakPolarHBondContact CB-ND2 3.22Å; S133-N402 PolarHBondContact OG-ND2 2.78Å; S133-T404 WeakPolarHBondContact CB-OG1 3.46Å; S133-T404 PolarHBondContact OG-OG1 3.13Å; S133-T404 VanDerWaalsContact OG-OG1 3.07Å; S133-D406 WeakPolarHBondContact CB-OD2 3.31Å; S133-D406 VanDerWaalsContact OG-CB 3.27Å; S133-D406 WeakPolarHBondContact OG-CB 3.19Å; S133-D406 PolarHBondContact OG-OD2 3.04Å; S133-Y407 WeakPolarHBondContact O-CE2 3.25Å; S133-Y407 WeakPolarHBondContact OG-CE2 3.5Å
134	P	81.6	Confident	77.4	Confident	16 Å²	16	56.2 Å²	56.2	10%	0.104	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-67	145.9	178.9	27.3	-34.4	0	0	0	111.3	E138 Y139 Y407 P450 R466	P134-E138 HydrophobicContact CB-CB 4.4Å; P134-E138 WeakPolarHBondContact CB-OE2 3.42Å; P134-Y139 HydrophobicContact CB-CE2 4.28Å; P134-Y139 HydrophobicContact CG-CE2 3.99Å; P134-Y407 WeakPolarHBondContact O-CE2 3.37Å; P134-P450 HydrophobicContact CG-CB 3.74Å; P134-R466 HydrophobicContact CB-CB 4.21Å; P134-R466 HydrophobicContact CB-CG 3.67Å; P134-R466 HydrophobicContact CG-CB 4Å; P134-R466 HydrophobicContact CG-CG 3.96Å
135	E	85.1	Confident	79.1	Confident	31 Å²	31	54 Å²	54	15%	0.145	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-71.4	153.6	174.3	-71.1	-179.5	-135	0	0	111.7	S137 E138 Y139 Y407 R429	E135-S137 PolarHBondContact O-N 2.91Å; E135-S137 VanDerWaalsContact O-N 3.09Å; E135-E138 PolarHBondContact N-OE1 2.87Å; E135-E138 WeakPolarHBondContact O-CB 3.46Å; E135-E138 PolarHBondContact O-N 3.2Å; E135-Y139 VanDerWaalsContact O-CD2 3.26Å; E135-Y139 WeakPolarHBondContact O-CD2 3.42Å; E135-Y139 WeakPolarHBondContact O-CE2 3.4Å; E135-Y407 HydrophobicContact CG-CE1 4.37Å; E135-Y407 HydrophobicContact CG-CE2 4.34Å; E135-Y407 WeakPolarHBondContact CG-OH 3.36Å; E135-R429 VanDerWaalsContact CD-NE 3.29Å; E135-R429 VanDerWaalsContact CD-NH2 3.26Å; E135-R429 IonicContact OE1-CZ 3.47Å; E135-R429 IonicContact OE1-NE 3.78Å; E135-R429 PolarHBondContact OE1-NE 3.11Å; E135-R429 IonicContact OE1-NH2 3.45Å; E135-R429 PolarHBondContact OE1-NH2 2.79Å; E135-R429 IonicContact OE2-CZ 2.93Å; E135-R429 IonicContact OE2-NE 3.21Å; E135-R429 PolarHBondContact OE2-NE 2.87Å; E135-R429 IonicContact OE2-NH2 3.5Å; E135-R429 PolarHBondContact OE2-NH2 2.86Å
136	A	82.9	Confident	81.2	Confident	2 Å²	2	53.1 Å²	53.1	2%	0.017	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-54.5	-33.1	179.1	0	0	0	0	0	113.6	E138 Y139 L409 L418 C420 L432	A136-E138 PolarHBondContact O-N 3.35Å; A136-Y139 PolarHBondContact O-N 2.96Å; A136-L409 HydrophobicContact CB-CD2 3.82Å; A136-L418 HydrophobicContact CB-CD2 4.39Å; A136-C420 HydrophobicContact CB-CB 3.64Å; A136-L432 WeakPolarHBondContact O-CD2 3.36Å
137	S	87.7	Confident	83.1	Confident	47 Å²	47	51.4 Å²	51.4	33%	0.329	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-67.6	-16.8	178.3	52.8	0	0	0	0	114.6	E135 Y139	E135-S137 PolarHBondContact O-N 2.91Å; E135-S137 VanDerWaalsContact O-N 3.09Å; S137-Y139 VanDerWaalsContact C-N 3.32Å
138	E	90.4	Very high	85	Confident	86 Å²	86	58.3 Å²	58.3	40%	0.402	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-84.2	-7.4	177.5	-62.4	173.3	-130.2	0	0	113.1	P134 E135 A136 R466	P134-E138 HydrophobicContact CB-CB 4.4Å; P134-E138 WeakPolarHBondContact CB-OE2 3.42Å; E135-E138 PolarHBondContact N-OE1 2.87Å; E135-E138 WeakPolarHBondContact O-CB 3.46Å; E135-E138 PolarHBondContact O-N 3.2Å; A136-E138 PolarHBondContact O-N 3.35Å; E138-R466 HydrophobicContact CB-CG 3.99Å; E138-R466 IonicContact OE2-NE 3.54Å; E138-R466 PolarHBondContact OE2-NE 3.28Å; E138-R466 IonicContact OE2-NH2 2.81Å
139	Y	94.5	Very high	87.1	Confident	10 Å²	10	53.2 Å²	53.2	4%	0.039	28%	0.278	C	S	.	.			trans	-81.9	139.6	-179.4	-72.4	-118.6	0	0	0	110.2	P134 E135 A136 S137 H445 P450 F452 W464 R466	P134-Y139 HydrophobicContact CB-CE2 4.28Å; P134-Y139 HydrophobicContact CG-CE2 3.99Å; E135-Y139 VanDerWaalsContact O-CD2 3.26Å; E135-Y139 WeakPolarHBondContact O-CD2 3.42Å; E135-Y139 WeakPolarHBondContact O-CE2 3.4Å; A136-Y139 PolarHBondContact O-N 2.96Å; S137-Y139 VanDerWaalsContact C-N 3.32Å; Y139-H445 AromaticContact CZ-NE2 3.95Å; Y139-H445 PolarHBondContact OH-NE2 3.28Å; Y139-H445 VanDerWaalsContact OH-NE2 3.16Å; Y139-P450 HydrophobicContact CE1-CB 4.32Å; Y139-P450 WeakPolarHBondContact CE1-O 3.38Å; Y139-F452 AromaticContact CD1-CD1 3.54Å; Y139-F452 HydrophobicContact CD1-CD1 3.54Å; Y139-F452 AromaticContact CD1-CE1 3.24Å; Y139-F452 HydrophobicContact CD1-CE1 3.24Å; Y139-F452 HydrophobicContact CD1-CZ 4.3Å; Y139-F452 HydrophobicContact CD2-CE1 4.31Å; Y139-F452 AromaticContact CE1-CD1 3.53Å; Y139-F452 HydrophobicContact CE1-CD1 3.53Å; Y139-F452 AromaticContact CE1-CE1 3.64Å; Y139-F452 HydrophobicContact CE1-CE1 3.64Å; Y139-F452 HydrophobicContact CG-CD1 4.33Å; Y139-F452 AromaticContact CG-CE1 3.6Å; Y139-F452 HydrophobicContact CG-CE1 3.6Å; Y139-F452 HydrophobicContact CG-CZ 4.44Å; Y139-W464 HydrophobicContact CD1-CB 4.35Å; Y139-R466 HydrophobicContact CD1-CB 4.44Å; Y139-R466 HydrophobicContact CD2-CB 4.25Å; Y139-R466 HydrophobicContact CE2-CB 4.34Å; Y139-R466 HydrophobicContact CG-CB 4.3Å
140	E	94.9	Very high	88.8	Confident	80 Å²	80	51.2 Å²	51.2	37%	0.374	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	153.9	175.2	61.1	176.2	168	0	0	111.7	C142 W464 Y465 R467	E140-C142 PolarHBondContact O-N 3.48Å; E140-W464 VanDerWaalsContact O-CA 3.31Å; E140-W464 WeakPolarHBondContact O-CA 3.02Å; E140-Y465 PolarHBondContact N-O 3.06Å; E140-Y465 VanDerWaalsContact N-O 3.08Å; E140-Y465 PolarHBondContact O-N 3.39Å; E140-R467 WeakPolarHBondContact OE1-CD 3.42Å; E140-R467 WeakPolarHBondContact OE1-CG 3.4Å; E140-R467 IonicContact OE1-CZ 3.92Å; E140-R467 VanDerWaalsContact OE1-CZ 3.26Å; E140-R467 IonicContact OE1-NE 3.7Å; E140-R467 PolarHBondContact OE1-NE 3.3Å; E140-R467 IonicContact OE1-NH1 2.75Å; E140-R467 PolarHBondContact OE1-NH1 3.34Å; E140-R467 IonicContact OE2-NH1 3.87Å
141	T	96.3	Very high	90.6	Very high	45 Å²	45	43.3 Å²	43.3	28%	0.276	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	111.7	174.3	-60.4	0	0	0	0	109.1	V144 R462 W464	T141-V144 HydrophobicContact CG2-CG2 3.49Å; T141-V144 VanDerWaalsContact CG2-CG2 3.49Å; T141-R462 HydrophobicContact CG2-CB 4.29Å; T141-R462 HydrophobicContact CG2-CG 4.43Å; T141-W464 VanDerWaalsContact OG1-CH2 3.26Å; T141-W464 WeakPolarHBondContact OG1-CH2 3.49Å; T141-W464 WeakPolarHBondContact OG1-CZ2 3.07Å; T141-W464 WeakPolarHBondContact OG1-CZ3 3.48Å
142	C	95.3	Very high	92.1	Very high	11 Å²	11	44.6 Å²	44.6	7%	0.074	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-35.9	177.7	-71.4	0	0	0	0	112.2	E140 L181 S184 F463	E140-C142 PolarHBondContact O-N 3.48Å; C142-L181 HydrophobicContact CB-CD2 4.22Å; C142-S184 WeakPolarHBondContact O-CB 3.42Å; C142-F463 HydrophobicContact CB-CD1 3.89Å; C142-F463 HydrophobicContact CB-CE1 4.21Å; C142-F463 PolarHBondContact N-O 2.92Å
143	Y	96.6	Very high	93.6	Very high	40 Å²	40	38.6 Å²	38.6	16%	0.157	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	146.1	-179.4	-173.7	-105.8	0	0	0	111.5	L175 M180 P204 F463	Y143-L175 HydrophobicContact CD1-CD2 4.2Å; Y143-L175 HydrophobicContact CE1-CD2 3.93Å; Y143-M180 HydrophobicContact CD1-CG 3.64Å; Y143-M180 HydrophobicContact CD1-SD 3.66Å; Y143-M180 HydrophobicContact CE1-CG 4.34Å; Y143-M180 HydrophobicContact CE1-SD 4.5Å; Y143-M180 HydrophobicContact CG-CB 4.25Å; Y143-M180 HydrophobicContact CG-CG 3.8Å; Y143-M180 HydrophobicContact CG-SD 4.22Å; Y143-P204 HydrophobicContact CD1-CB 4.41Å; Y143-P204 HydrophobicContact CD2-CG 4.17Å; Y143-P204 HydrophobicContact CE1-CB 3.99Å; Y143-P204 HydrophobicContact CE1-CG 4.44Å; Y143-P204 HydrophobicContact CE2-CB 4.17Å; Y143-P204 HydrophobicContact CE2-CG 3.72Å; Y143-F463 PolarHBondContact N-O 3.3Å; Y143-F463 PolarHBondContact O-N 2.84Å
144	V	97.6	Very high	94.6	Very high	56 Å²	56	38.6 Å²	38.6	34%	0.339	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.6	176.2	-173.3	0	0	0	0	108.6	T141 R460 R462	T141-V144 HydrophobicContact CG2-CG2 3.49Å; T141-V144 VanDerWaalsContact CG2-CG2 3.49Å; V144-R460 HydrophobicContact CG1-CB 4.1Å; V144-R460 HydrophobicContact CG1-CG 4.31Å; V144-R462 HydrophobicContact CG1-CG 4.21Å; V144-R462 HydrophobicContact CG2-CG 4.06Å
145	T	97.8	Very high	95.4	Very high	9 Å²	9	39.1 Å²	39.1	6%	0.055	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	155.5	171.5	-162.8	0	0	0	0	110.4	K173 L175 R460 A461	T145-K173 HydrophobicContact CG2-CD 4.3Å; T145-L175 HydrophobicContact CG2-CD2 3.9Å; T145-R460 VanDerWaalsContact O-CA 3.26Å; T145-R460 WeakPolarHBondContact O-CA 3.45Å; T145-A461 HydrophobicContact CG2-CB 3.84Å; T145-A461 PolarHBondContact N-O 3.45Å; T145-A461 PolarHBondContact O-N 3.49Å
146	S	97.9	Very high	96	Very high	63 Å²	63	38.8 Å²	38.8	44%	0.441	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.4	178.9	-162.6	0	0	0	0	111.2	K173	S146-K173 WeakPolarHBondContact O-CE 3.24Å; S146-K173 PolarHBondContact O-NZ 2.64Å
147	H	98.6	Very high	96.7	Very high	8 Å²	8	39 Å²	39	4%	0.037	20%	0.202	C	C	.	.			trans	-93.4	174.6	161.3	-72.3	-96.9	0	0	0	109.8	G149 T165 S167 D169 S171 F459	H147-G149 VanDerWaalsContact C-N 3.32Å; H147-G149 WeakPolarHBondContact CB-O 3.47Å; H147-T165 PolarHBondContact NE2-OG1 2.87Å; H147-S167 WeakPolarHBondContact CB-OG 3.35Å; H147-S167 VanDerWaalsContact CG-CB 3.42Å; H147-S167 VanDerWaalsContact ND1-CB 3.27Å; H147-S167 WeakPolarHBondContact ND1-CB 3.42Å; H147-D169 IonicContact ND1-OD1 2.66Å; H147-D169 IonicContact ND1-OD2 3.71Å; H147-S171 PolarHBondContact ND1-OG 2.82Å; H147-S171 VanDerWaalsContact ND1-OG 3.11Å; H147-F459 PolarHBondContact N-O 3.17Å
148	K	98.1	Very high	97	Very high	190 Å²	190	42.5 Å²	42.5	83%	0.826	21%	0.209	S	C	*	.	S	Bend	trans	-86.4	-5.3	173.3	-64.3	-177.9	178	179.4	0	112.8	D169	K148-D169 HydrophobicContact CB-CB 3.98Å; K148-D169 WeakPolarHBondContact CB-OD2 3.48Å; K148-D169 PolarHBondContact N-OD2 2.91Å
149	G	98.3	Very high	97.1	Very high	7 Å²	7	42.3 Å²	42.3	7%	0.072	21%	0.21	C	C	.	.	S	Bend	trans	-148.6	-178.6	175	0	0	0	0	0	111.6	H147 C151 S167 F459	H147-G149 VanDerWaalsContact C-N 3.32Å; H147-G149 WeakPolarHBondContact CB-O 3.47Å; G149-C151 PolarHBondContact O-N 3.39Å; G149-S167 PolarHBondContact O-OG 3.36Å; G149-F459 VanDerWaalsContact C-CG 3.5Å; G149-F459 WeakPolarHBondContact O-CA 3.06Å; G149-F459 VanDerWaalsContact O-CB 3.29Å; G149-F459 WeakPolarHBondContact O-CB 3.04Å
150	P	98.6	Very high	97.2	Very high	26 Å²	26	41.9 Å²	41.9	17%	0.169	21%	0.209	C	C	.	.			trans	-46.9	132.2	179.5	-33.6	37	0	0	0	113.9	R152 S167 A168 D457 F459	P150-R152 HydrophobicContact CB-CG 4.24Å; P150-S167 CarbonylContact O-C 3.58Å; P150-S167 WeakPolarHBondContact O-CA 3.25Å; P150-S167 WeakPolarHBondContact O-CB 3.26Å; P150-S167 PolarHBondContact O-OG 3.47Å; P150-A168 HydrophobicContact CB-CB 4.1Å; P150-A168 HydrophobicContact CG-CB 4.27Å; P150-A168 PolarHBondContact O-N 2.97Å; P150-D457 WeakPolarHBondContact CB-OD1 3.49Å; P150-F459 VanDerWaalsContact CD-CE1 3.45Å; P150-F459 HydrophobicContact CG-CD1 4.02Å; P150-F459 HydrophobicContact CG-CE1 3.83Å; P150-F459 VanDerWaalsContact N-CD1 3.26Å
151	C	98.5	Very high	97.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	116.2	174.5	-169.6	0	0	0	0	108.3	G149 C455 S456	G149-C151 PolarHBondContact O-N 3.39Å; C151-C455 HydrophobicContact CB-CB 4.12Å; C151-C455 CarbonylContact O-C 3.57Å; C151-C455 VanDerWaalsContact O-C 3.26Å; C151-C455 VanDerWaalsContact O-CB 3.28Å; C151-C455 WeakPolarHBondContact O-CB 3.38Å; C151-C455 VanDerWaalsContact SG-SG 3.66Å; C151-S456 PolarHBondContact N-O 3.01Å; C151-S456 CarbonylContact O-C 3.48Å; C151-S456 PolarHBondContact O-N 2.67Å
152	R	98.3	Very high	97.4	Very high	69 Å²	69	41.9 Å²	41.9	26%	0.26	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	-3.8	-170.1	-59.9	-153	-176.8	130.2	-3.1	115.3	P150 G166 E215 R441 C442 D457	P150-R152 HydrophobicContact CB-CG 4.24Å; R152-G166 PolarHBondContact N-O 2.81Å; R152-E215 WeakPolarHBondContact CD-OE1 3.4Å; R152-E215 WeakPolarHBondContact CG-OE1 3.25Å; R152-E215 IonicContact CZ-OE1 3.35Å; R152-E215 IonicContact NE-OE1 2.91Å; R152-E215 PolarHBondContact NE-OE1 3.47Å; R152-E215 VanDerWaalsContact NH1-CD 3.31Å; R152-E215 IonicContact NH1-OE1 2.73Å; R152-E215 PolarHBondContact NH1-OE1 2.9Å; R152-E215 IonicContact NH1-OE2 3.88Å; R152-E215 PolarHBondContact NH1-OE2 3.25Å; R152-E215 VanDerWaalsContact NH1-OE2 3.11Å; R152-R441 HydrophobicContact CB-CB 4.33Å; R152-R441 HydrophobicContact CG-CB 4.27Å; R152-R441 HydrophobicContact CG-CG 4.29Å; R152-C442 VanDerWaalsContact O-CB 3.24Å; R152-C442 WeakPolarHBondContact O-CB 3.29Å; R152-D457 IonicContact CZ-OD1 3.44Å; R152-D457 IonicContact NE-OD1 3.26Å; R152-D457 PolarHBondContact NE-OD1 3.38Å; R152-D457 IonicContact NH2-OD1 3.9Å; R152-D457 PolarHBondContact NH2-OD1 2.79Å; R152-D457 VanDerWaalsContact NH2-OD1 3.07Å
153	V	98.6	Very high	97.5	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.055	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	138.6	175.6	60.3	0	0	0	0	110	T165 G166 V216 L219	V153-T165 CarbonylContact O-C 3.59Å; V153-T165 WeakPolarHBondContact O-CA 3.33Å; V153-G166 PolarHBondContact N-O 2.83Å; V153-G166 PolarHBondContact O-N 2.63Å; V153-V216 HydrophobicContact CG1-CG1 4.25Å; V153-V216 WeakPolarHBondContact CG1-O 3.12Å; V153-L219 HydrophobicContact CG1-CD1 3.88Å; V153-L219 HydrophobicContact CG1-CG 4.02Å; V153-L219 HydrophobicContact CG2-CB 4.2Å; V153-L219 HydrophobicContact CG2-CD1 4.27Å; V153-L219 HydrophobicContact CG2-CG 4.13Å
154	A	98.7	Very high	97.6	Very high	5 Å²	5	39.4 Å²	39.4	4%	0.041	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	160.6	158.2	0	0	0	0	0	109.5	I163 A164 T165 C442 V444 M453 C455	A154-I163 HydrophobicContact CB-CG2 4.27Å; A154-A164 CarbonylContact C-O 3.5Å; A154-A164 WeakPolarHBondContact CA-O 3.46Å; A154-T165 HydrophobicContact CB-CG2 4.11Å; A154-C442 PolarHBondContact N-SG 3.23Å; A154-V444 HydrophobicContact CB-CG2 3.6Å; A154-V444 WeakPolarHBondContact O-CG1 3.33Å; A154-M453 HydrophobicContact CB-CB 4.33Å; A154-M453 HydrophobicContact CB-CG 3.95Å; A154-C455 WeakPolarHBondContact CB-SG 3.33Å
155	T	98.7	Very high	97.7	Very high	28 Å²	28	36.8 Å²	36.8	17%	0.172	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	147.3	170.6	-165.2	0	0	0	0	109.7	I163 A164 L219 F221 L228	T155-I163 WeakPolarHBondContact O-CA 3.36Å; T155-A164 HydrophobicContact CG2-CB 4.11Å; T155-A164 PolarHBondContact N-O 3.03Å; T155-A164 PolarHBondContact O-N 2.66Å; T155-L219 WeakPolarHBondContact CB-O 3.33Å; T155-L219 HydrophobicContact CG2-CB 3.51Å; T155-L219 PolarHBondContact OG1-O 3.34Å; T155-F221 HydrophobicContact CG2-CD2 3.82Å; T155-F221 HydrophobicContact CG2-CE2 3.97Å; T155-L228 HydrophobicContact CG2-CD1 4.5Å
156	Y	98.4	Very high	97.7	Very high	23 Å²	23	36.3 Å²	36.3	9%	0.09	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	146.4	173.2	-92	-88.5	0	0	0	110.4	L162 I163 T177 V444 G451	Y156-L162 WeakPolarHBondContact CA-O 3.5Å; Y156-I163 HydrophobicContact CD1-CD1 4.28Å; Y156-I163 HydrophobicContact CD1-CG1 3.73Å; Y156-I163 HydrophobicContact CD2-CG1 4.41Å; Y156-I163 HydrophobicContact CE1-CD1 3.52Å; Y156-I163 HydrophobicContact CE1-CG1 3.45Å; Y156-I163 VanDerWaalsContact CE1-CG1 3.45Å; Y156-I163 HydrophobicContact CE2-CD1 3.88Å; Y156-I163 HydrophobicContact CE2-CG1 4.14Å; Y156-I163 HydrophobicContact CG-CG1 4.22Å; Y156-I163 VanDerWaalsContact OH-CD1 3.28Å; Y156-I163 WeakPolarHBondContact OH-CD1 3.4Å; Y156-T177 HydrophobicContact CE1-CG2 4.12Å; Y156-V444 HydrophobicContact CD2-CB 4.06Å; Y156-V444 HydrophobicContact CD2-CG2 3.7Å; Y156-V444 HydrophobicContact CE2-CB 4.46Å; Y156-V444 HydrophobicContact CE2-CG2 3.91Å; Y156-V444 WeakPolarHBondContact CE2-O 3.23Å; Y156-G451 PolarHBondContact OH-O 2.97Å
157	S	97.9	Very high	97.8	Very high	6 Å²	6	33.3 Å²	33.3	4%	0.042	16%	0.155	C	C	.	.			trans	-66.3	155.3	158.4	56.9	0	0	0	0	109.9	D159 G160 Q161 L162 F221	S157-D159 WeakPolarHBondContact CB-OD1 3.41Å; S157-D159 PolarHBondContact O-N 3.41Å; S157-D159 PolarHBondContact OG-OD1 3.18Å; S157-G160 PolarHBondContact O-N 2.87Å; S157-Q161 PolarHBondContact OG-N 2.9Å; S157-L162 PolarHBondContact N-O 3.32Å; S157-L162 WeakPolarHBondContact OG-CA 3.39Å; S157-L162 WeakPolarHBondContact OG-CB 3.36Å; S157-L162 PolarHBondContact OG-N 2.75Å; S157-L162 PolarHBondContact OG-O 3.09Å; S157-F221 VanDerWaalsContact N-CD2 3.31Å
158	R	92.6	Very high	97.8	Very high	122 Å²	122	34.7 Å²	34.7	46%	0.46	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-29	-174.4	-72.1	-168	172.6	-159.6	-3.2	114	G160 P267 P447	R158-G160 VanDerWaalsContact C-N 3.29Å; R158-P267 VanDerWaalsContact NH2-CA 3.35Å; R158-P447 WeakPolarHBondContact O-CG 3.27Å
159	D	93.9	Very high	97.8	Very high	82 Å²	82	27.9 Å²	27.9	44%	0.439	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-13.3	174.4	59.7	2.7	0	0	0	113.3	S157 Q161 T448	S157-D159 WeakPolarHBondContact CB-OD1 3.41Å; S157-D159 PolarHBondContact O-N 3.41Å; S157-D159 PolarHBondContact OG-OD1 3.18Å; D159-Q161 VanDerWaalsContact C-N 3.33Å; D159-Q161 HydrophobicContact CB-CG 4.37Å; D159-Q161 PolarHBondContact OD1-N 3.36Å; D159-Q161 VanDerWaalsContact OD1-N 3.08Å; D159-T448 PolarHBondContact O-OG1 3.11Å; D159-T448 VanDerWaalsContact O-OG1 3.13Å
160	G	95.3	Very high	97.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	81.3	2.2	-178.4	0	0	0	0	0	115.3	S157 R158	S157-G160 PolarHBondContact O-N 2.87Å; R158-G160 VanDerWaalsContact C-N 3.29Å
161	Q	96.8	Very high	97.8	Very high	102 Å²	102	27.1 Å²	27.1	48%	0.477	14%	0.135	S	C	.	.	S	Bend	trans	-81.9	-27.1	-174.8	-64.6	-174.1	2.2	0	0	113.9	S157 D159 T177	S157-Q161 PolarHBondContact OG-N 2.9Å; D159-Q161 VanDerWaalsContact C-N 3.33Å; D159-Q161 HydrophobicContact CB-CG 4.37Å; D159-Q161 PolarHBondContact OD1-N 3.36Å; D159-Q161 VanDerWaalsContact OD1-N 3.08Å; Q161-T177 WeakPolarHBondContact CA-OG1 3.2Å; Q161-T177 PolarHBondContact O-N 3Å; Q161-T177 PolarHBondContact O-OG1 2.99Å
162	L	98.4	Very high	97.8	Very high	23 Å²	23	27.1 Å²	27.1	12%	0.12	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	146.3	-176.6	-57.5	178.4	0	0	0	111	Y156 S157 I174 L175 D176 I206 F221 Y242	Y156-L162 WeakPolarHBondContact CA-O 3.5Å; S157-L162 PolarHBondContact N-O 3.32Å; S157-L162 WeakPolarHBondContact OG-CA 3.39Å; S157-L162 WeakPolarHBondContact OG-CB 3.36Å; S157-L162 PolarHBondContact OG-N 2.75Å; S157-L162 PolarHBondContact OG-O 3.09Å; L162-I174 HydrophobicContact CB-CG2 4.37Å; L162-I174 HydrophobicContact CD1-CG2 4.38Å; L162-I174 HydrophobicContact CD2-CG2 4.42Å; L162-L175 CarbonylContact C-O 3.55Å; L162-L175 VanDerWaalsContact CA-O 3.31Å; L162-L175 WeakPolarHBondContact CA-O 3.1Å; L162-D176 HydrophobicContact CD2-CB 4.25Å; L162-I206 HydrophobicContact CD2-CD1 3.75Å; L162-F221 HydrophobicContact CB-CE1 4.21Å; L162-F221 HydrophobicContact CB-CE2 4.39Å; L162-F221 HydrophobicContact CB-CZ 3.82Å; L162-F221 HydrophobicContact CD1-CE1 4.2Å; L162-Y242 HydrophobicContact CD1-CE2 3.9Å
163	I	98.8	Very high	97.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	127.7	171.6	-55.8	177.7	0	0	0	107.8	A154 T155 Y156 T165 I174 L175 T177 M180 M453 F463	A154-I163 HydrophobicContact CB-CG2 4.27Å; T155-I163 WeakPolarHBondContact O-CA 3.36Å; Y156-I163 HydrophobicContact CD1-CD1 4.28Å; Y156-I163 HydrophobicContact CD1-CG1 3.73Å; Y156-I163 HydrophobicContact CD2-CG1 4.41Å; Y156-I163 HydrophobicContact CE1-CD1 3.52Å; Y156-I163 HydrophobicContact CE1-CG1 3.45Å; Y156-I163 VanDerWaalsContact CE1-CG1 3.45Å; Y156-I163 HydrophobicContact CE2-CD1 3.88Å; Y156-I163 HydrophobicContact CE2-CG1 4.14Å; Y156-I163 HydrophobicContact CG-CG1 4.22Å; Y156-I163 VanDerWaalsContact OH-CD1 3.28Å; Y156-I163 WeakPolarHBondContact OH-CD1 3.4Å; I163-T165 HydrophobicContact CG2-CG2 4.27Å; I163-I174 CarbonylContact O-C 3.55Å; I163-I174 WeakPolarHBondContact O-CA 3.4Å; I163-L175 PolarHBondContact N-O 2.83Å; I163-L175 WeakPolarHBondContact O-CD1 3.3Å; I163-L175 PolarHBondContact O-N 3.46Å; I163-T177 HydrophobicContact CD1-CG2 3.81Å; I163-T177 HydrophobicContact CG1-CG2 3.86Å; I163-M180 HydrophobicContact CD1-CE 3.91Å; I163-M180 HydrophobicContact CG1-CE 4.49Å; I163-M453 HydrophobicContact CB-CE 4.29Å; I163-M453 HydrophobicContact CD1-CB 4.18Å; I163-M453 HydrophobicContact CD1-CE 4.02Å; I163-M453 HydrophobicContact CG2-CB 4.14Å; I163-M453 HydrophobicContact CG2-CE 3.79Å; I163-M453 HydrophobicContact CG2-CG 4.12Å; I163-F463 HydrophobicContact CD1-CD2 3.74Å; I163-F463 HydrophobicContact CD1-CE2 3.95Å
164	A	98.8	Very high	97.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.4	169.2	0	0	0	0	0	109.5	A154 T155 K173 I174 L219 F221 L228	A154-A164 CarbonylContact C-O 3.5Å; A154-A164 WeakPolarHBondContact CA-O 3.46Å; T155-A164 HydrophobicContact CG2-CB 4.11Å; T155-A164 PolarHBondContact N-O 3.03Å; T155-A164 PolarHBondContact O-N 2.66Å; A164-K173 CarbonylContact C-O 3.41Å; A164-K173 WeakPolarHBondContact CA-O 3.43Å; A164-I174 HydrophobicContact CB-CG1 4.35Å; A164-L219 HydrophobicContact CB-CD1 3.92Å; A164-F221 HydrophobicContact CB-CE2 3.66Å; A164-F221 HydrophobicContact CB-CZ 3.64Å; A164-L228 HydrophobicContact CB-CD1 3.83Å; A164-L228 HydrophobicContact CB-CD2 3.79Å
165	T	98.8	Very high	97.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.4	174.9	63.8	0	0	0	0	110.5	H147 V153 A154 I163 I172 K173 L175 M453 A461	H147-T165 PolarHBondContact NE2-OG1 2.87Å; V153-T165 CarbonylContact O-C 3.59Å; V153-T165 WeakPolarHBondContact O-CA 3.33Å; A154-T165 HydrophobicContact CB-CG2 4.11Å; I163-T165 HydrophobicContact CG2-CG2 4.27Å; T165-I172 CarbonylContact O-C 3.56Å; T165-I172 VanDerWaalsContact O-CA 3.27Å; T165-I172 WeakPolarHBondContact O-CA 3.48Å; T165-I172 WeakPolarHBondContact O-CG2 3.43Å; T165-K173 PolarHBondContact N-O 2.73Å; T165-K173 PolarHBondContact O-N 2.82Å; T165-L175 HydrophobicContact CG2-CD1 3.78Å; T165-M453 HydrophobicContact CG2-CE 4.06Å; T165-M453 HydrophobicContact CG2-CG 4.35Å; T165-A461 HydrophobicContact CG2-CB 3.91Å
166	G	98.6	Very high	97.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.9	-179.9	0	0	0	0	0	111.7	R152 V153	R152-G166 PolarHBondContact N-O 2.81Å; V153-G166 PolarHBondContact N-O 2.83Å; V153-G166 PolarHBondContact O-N 2.63Å
167	S	98.8	Very high	97.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	161.7	-170.8	173.5	0	0	0	0	113.1	H147 G149 P150 D169 A170 S171 V216	H147-S167 WeakPolarHBondContact CB-OG 3.35Å; H147-S167 VanDerWaalsContact CG-CB 3.42Å; H147-S167 VanDerWaalsContact ND1-CB 3.27Å; H147-S167 WeakPolarHBondContact ND1-CB 3.42Å; G149-S167 PolarHBondContact O-OG 3.36Å; P150-S167 CarbonylContact O-C 3.58Å; P150-S167 WeakPolarHBondContact O-CA 3.25Å; P150-S167 WeakPolarHBondContact O-CB 3.26Å; P150-S167 PolarHBondContact O-OG 3.47Å; S167-D169 WeakPolarHBondContact CB-OD1 3.43Å; S167-D169 PolarHBondContact O-N 3Å; S167-D169 PolarHBondContact OG-N 3.48Å; S167-D169 PolarHBondContact OG-OD1 2.8Å; S167-A170 PolarHBondContact O-N 3.12Å; S167-A170 VanDerWaalsContact O-N 3.15Å; S167-S171 PolarHBondContact N-O 3.12Å; S167-V216 PolarHBondContact O-N 3.47Å; S167-V216 VanDerWaalsContact O-N 3.09Å
168	A	98.5	Very high	97.5	Very high	36 Å²	36	29.9 Å²	29.9	30%	0.298	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.6	167.5	0	0	0	0	0	113.8	P150 A170 E215	P150-A168 HydrophobicContact CB-CB 4.1Å; P150-A168 HydrophobicContact CG-CB 4.27Å; P150-A168 PolarHBondContact O-N 2.97Å; A168-A170 PolarHBondContact O-N 3.21Å; A168-E215 HydrophobicContact CB-CB 4.2Å; A168-E215 HydrophobicContact CB-CG 4.13Å
169	D	98.3	Very high	97.7	Very high	47 Å²	47	28.1 Å²	28.1	25%	0.251	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	10.5	170.1	74.3	1.1	0	0	0	114	H147 K148 S167 S171	H147-D169 IonicContact ND1-OD1 2.66Å; H147-D169 IonicContact ND1-OD2 3.71Å; K148-D169 HydrophobicContact CB-CB 3.98Å; K148-D169 WeakPolarHBondContact CB-OD2 3.48Å; K148-D169 PolarHBondContact N-OD2 2.91Å; S167-D169 WeakPolarHBondContact CB-OD1 3.43Å; S167-D169 PolarHBondContact O-N 3Å; S167-D169 PolarHBondContact OG-N 3.48Å; S167-D169 PolarHBondContact OG-OD1 2.8Å; D169-S171 PolarHBondContact O-N 2.75Å; D169-S171 VanDerWaalsContact O-N 3.12Å; D169-S171 WeakPolarHBondContact OD1-CA 3.5Å; D169-S171 WeakPolarHBondContact OD1-CB 3.4Å; D169-S171 PolarHBondContact OD1-N 3.28Å; D169-S171 PolarHBondContact OD1-OG 2.83Å; D169-S171 PolarHBondContact OD2-OG 3.37Å
170	A	98.3	Very high	97.7	Very high	13 Å²	13	24.2 Å²	24.2	11%	0.107	12%	0.122	C	C	.	.	S	Bend	trans	60.8	12.7	-178	0	0	0	0	0	115	S167 A168 H212 D214	S167-A170 PolarHBondContact O-N 3.12Å; S167-A170 VanDerWaalsContact O-N 3.15Å; A168-A170 PolarHBondContact O-N 3.21Å; A170-H212 HydrophobicContact CB-CB 4.03Å; A170-H212 WeakPolarHBondContact CB-O 3.25Å; A170-D214 VanDerWaalsContact CB-O 3.32Å; A170-D214 WeakPolarHBondContact CB-O 3.35Å
171	S	98.3	Very high	97.7	Very high	4 Å²	4	26.3 Å²	26.3	3%	0.028	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	154.9	176.7	78	0	0	0	0	112.7	H147 S167 D169 Y210	H147-S171 PolarHBondContact ND1-OG 2.82Å; H147-S171 VanDerWaalsContact ND1-OG 3.11Å; S167-S171 PolarHBondContact N-O 3.12Å; D169-S171 PolarHBondContact O-N 2.75Å; D169-S171 VanDerWaalsContact O-N 3.12Å; D169-S171 WeakPolarHBondContact OD1-CA 3.5Å; D169-S171 WeakPolarHBondContact OD1-CB 3.4Å; D169-S171 PolarHBondContact OD1-N 3.28Å; D169-S171 PolarHBondContact OD1-OG 2.83Å; D169-S171 PolarHBondContact OD2-OG 3.37Å; S171-Y210 VanDerWaalsContact CB-CE1 3.43Å
172	I	98.8	Very high	97.4	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137	173.7	-53.2	164.8	0	0	0	108.5	T165 T208 L209 V216 L219 L228 S230 F240	T165-I172 CarbonylContact O-C 3.56Å; T165-I172 VanDerWaalsContact O-CA 3.27Å; T165-I172 WeakPolarHBondContact O-CA 3.48Å; T165-I172 WeakPolarHBondContact O-CG2 3.43Å; I172-T208 CarbonylContact O-C 3.54Å; I172-T208 WeakPolarHBondContact O-CA 3.48Å; I172-L209 HydrophobicContact CB-CB 4.15Å; I172-L209 HydrophobicContact CB-CD1 4.31Å; I172-L209 HydrophobicContact CD1-CD1 4.49Å; I172-L209 HydrophobicContact CG2-CD1 4.23Å; I172-L209 PolarHBondContact N-O 3.26Å; I172-L209 VanDerWaalsContact N-O 3.07Å; I172-L209 PolarHBondContact O-N 2.74Å; I172-V216 HydrophobicContact CD1-CG1 4.42Å; I172-V216 HydrophobicContact CD1-CG2 4.38Å; I172-V216 HydrophobicContact CG1-CG1 4.23Å; I172-V216 HydrophobicContact CG1-CG2 3.95Å; I172-L219 HydrophobicContact CD1-CD2 3.98Å; I172-L219 HydrophobicContact CG1-CD2 4.28Å; I172-L219 HydrophobicContact CG2-CD1 4.3Å; I172-L219 HydrophobicContact CG2-CD2 4.17Å; I172-L228 HydrophobicContact CG2-CD2 3.7Å; I172-S230 VanDerWaalsContact CD1-OG 3.25Å; I172-S230 WeakPolarHBondContact CD1-OG 3.39Å; I172-F240 HydrophobicContact CD1-CD2 4.38Å; I172-F240 HydrophobicContact CD1-CE2 3.79Å; I172-F240 HydrophobicContact CD1-CZ 4.19Å
173	K	98.6	Very high	97	Very high	29 Å²	29	24 Å²	24	13%	0.126	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.7	169.3	-64.3	171.3	-167.6	-86.7	0	108.9	T145 S146 A164 T165 L175 V205 R207 T208	T145-K173 HydrophobicContact CG2-CD 4.3Å; S146-K173 WeakPolarHBondContact O-CE 3.24Å; S146-K173 PolarHBondContact O-NZ 2.64Å; A164-K173 CarbonylContact C-O 3.41Å; A164-K173 WeakPolarHBondContact CA-O 3.43Å; T165-K173 PolarHBondContact N-O 2.73Å; T165-K173 PolarHBondContact O-N 2.82Å; K173-L175 HydrophobicContact CB-CD1 4Å; K173-V205 HydrophobicContact CB-CG1 3.97Å; K173-V205 HydrophobicContact CD-CG1 4.39Å; K173-V205 HydrophobicContact CD-CG2 4.46Å; K173-V205 HydrophobicContact CG-CG1 4.07Å; K173-R207 WeakPolarHBondContact CA-O 3.34Å; K173-T208 HydrophobicContact CG-CG2 4.21Å
174	I	98.6	Very high	96.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.3	164.3	-56.9	178.5	0	0	0	106.9	L162 I163 A164 V205 I206 R207 L209 F221 L228 Y242	L162-I174 HydrophobicContact CB-CG2 4.37Å; L162-I174 HydrophobicContact CD1-CG2 4.38Å; L162-I174 HydrophobicContact CD2-CG2 4.42Å; I163-I174 CarbonylContact O-C 3.55Å; I163-I174 WeakPolarHBondContact O-CA 3.4Å; A164-I174 HydrophobicContact CB-CG1 4.35Å; I174-V205 CarbonylContact O-C 3.55Å; I174-I206 HydrophobicContact CB-CG1 4.21Å; I174-I206 HydrophobicContact CG2-CD1 3.93Å; I174-I206 HydrophobicContact CG2-CG1 3.9Å; I174-I206 VanDerWaalsContact O-CG1 3.3Å; I174-I206 WeakPolarHBondContact O-CG1 3.16Å; I174-I206 PolarHBondContact O-N 3.03Å; I174-R207 HydrophobicContact CB-CB 3.93Å; I174-R207 HydrophobicContact CB-CG 4.3Å; I174-R207 HydrophobicContact CD1-CB 4.17Å; I174-R207 HydrophobicContact CD1-CG 4.26Å; I174-R207 HydrophobicContact CG1-CB 4.17Å; I174-R207 PolarHBondContact N-O 3.12Å; I174-R207 PolarHBondContact O-N 2.87Å; I174-L209 HydrophobicContact CD1-CD1 4.24Å; I174-F221 HydrophobicContact CD1-CE1 4.4Å; I174-F221 HydrophobicContact CG2-CE1 4.37Å; I174-F221 HydrophobicContact CG2-CZ 4.13Å; I174-L228 HydrophobicContact CD1-CD2 4.07Å; I174-L228 HydrophobicContact CG1-CD2 4.14Å; I174-Y242 HydrophobicContact CD1-CD1 3.78Å; I174-Y242 HydrophobicContact CD1-CD2 4.22Å; I174-Y242 HydrophobicContact CD1-CE1 4.49Å; I174-Y242 HydrophobicContact CD1-CG 3.62Å
175	L	98.5	Very high	95.9	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.2	-177.8	-58	97.9	0	0	0	110	Y143 T145 L162 I163 T165 K173 M180 P204 V205 M453	Y143-L175 HydrophobicContact CD1-CD2 4.2Å; Y143-L175 HydrophobicContact CE1-CD2 3.93Å; T145-L175 HydrophobicContact CG2-CD2 3.9Å; L162-L175 CarbonylContact C-O 3.55Å; L162-L175 VanDerWaalsContact CA-O 3.31Å; L162-L175 WeakPolarHBondContact CA-O 3.1Å; I163-L175 PolarHBondContact N-O 2.83Å; I163-L175 WeakPolarHBondContact O-CD1 3.3Å; I163-L175 PolarHBondContact O-N 3.46Å; T165-L175 HydrophobicContact CG2-CD1 3.78Å; K173-L175 HydrophobicContact CB-CD1 4Å; L175-M180 HydrophobicContact CB-CE 3.91Å; L175-M180 HydrophobicContact CB-SD 4.03Å; L175-M180 HydrophobicContact CD2-SD 3.78Å; L175-P204 VanDerWaalsContact CA-O 3.26Å; L175-P204 WeakPolarHBondContact CA-O 3.38Å; L175-V205 HydrophobicContact CD2-CG2 3.93Å; L175-V205 HydrophobicContact CG-CG2 4.17Å; L175-M453 HydrophobicContact CD1-CE 4.33Å; L175-M453 HydrophobicContact CD2-CE 4.33Å
176	D	97.9	Very high	95.2	Very high	31 Å²	31	31.6 Å²	31.6	17%	0.166	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.9	176.2	178.1	-44.3	0	0	0	109.3	L162 E178 R179 M180 P204 I206	L162-D176 HydrophobicContact CD2-CB 4.25Å; D176-E178 PolarHBondContact OD1-N 2.8Å; D176-R179 HydrophobicContact CB-CB 4.05Å; D176-R179 HydrophobicContact CB-CG 3.94Å; D176-R179 PolarHBondContact O-N 3.39Å; D176-R179 PolarHBondContact OD1-N 3.39Å; D176-R179 IonicContact OD2-NE 4Å; D176-R179 PolarHBondContact OD2-NE 2.76Å; D176-M180 WeakPolarHBondContact O-CG 3.45Å; D176-M180 PolarHBondContact O-N 3.28Å; D176-P204 PolarHBondContact N-O 3Å; D176-I206 HydrophobicContact CB-CG2 3.79Å
177	T	96.6	Very high	94.6	Very high	10 Å²	10	35.4 Å²	35.4	6%	0.061	21%	0.206	C	C	.	.	H	α-helix	trans	-67.2	-37.7	-174.3	54.8	0	0	0	0	112.8	Y156 Q161 I163 M180 L181 F463	Y156-T177 HydrophobicContact CE1-CG2 4.12Å; Q161-T177 WeakPolarHBondContact CA-OG1 3.2Å; Q161-T177 PolarHBondContact O-N 3Å; Q161-T177 PolarHBondContact O-OG1 2.99Å; I163-T177 HydrophobicContact CD1-CG2 3.81Å; I163-T177 HydrophobicContact CG1-CG2 3.86Å; T177-M180 HydrophobicContact CG2-CE 3.85Å; T177-M180 PolarHBondContact O-N 3.42Å; T177-L181 WeakPolarHBondContact O-CG 3.32Å; T177-L181 PolarHBondContact O-N 2.91Å; T177-F463 HydrophobicContact CG2-CE2 4.15Å; T177-F463 HydrophobicContact CG2-CZ 4.23Å
178	E	95.1	Very high	93.7	Very high	127 Å²	127	41.4 Å²	41.4	59%	0.593	24%	0.237	S	C	*	.	H	α-helix	trans	-68	-40.4	179	-64.7	-172.7	174	0	0	110.4	D176 M180 L181 A182	D176-E178 PolarHBondContact OD1-N 2.8Å; E178-M180 VanDerWaalsContact C-N 3.35Å; E178-M180 PolarHBondContact O-N 2.73Å; E178-L181 PolarHBondContact O-N 3.42Å; E178-A182 WeakPolarHBondContact O-CB 2.93Å; E178-A182 PolarHBondContact O-N 2.83Å
179	R	95.3	Very high	92.9	Very high	86 Å²	86	47.1 Å²	47.1	33%	0.325	26%	0.257	S	S	.	.	H	α-helix	trans	-64.9	-37.8	174.1	-64.9	-177.9	-171.4	-144.8	-16.5	112.5	D176 L181 K183 E201 H203 P204	D176-R179 HydrophobicContact CB-CB 4.05Å; D176-R179 HydrophobicContact CB-CG 3.94Å; D176-R179 PolarHBondContact O-N 3.39Å; D176-R179 PolarHBondContact OD1-N 3.39Å; D176-R179 IonicContact OD2-NE 4Å; D176-R179 PolarHBondContact OD2-NE 2.76Å; R179-L181 VanDerWaalsContact C-N 3.35Å; R179-K183 VanDerWaalsContact O-CB 3.27Å; R179-K183 WeakPolarHBondContact O-CB 3.46Å; R179-K183 PolarHBondContact O-N 2.91Å; R179-E201 VanDerWaalsContact CZ-O 3.24Å; R179-E201 PolarHBondContact NH1-O 3.02Å; R179-E201 PolarHBondContact NH2-O 3.26Å; R179-H203 WeakPolarHBondContact CD-O 3.37Å; R179-H203 PolarHBondContact NH1-O 3.06Å; R179-P204 HydrophobicContact CB-CB 4.16Å; R179-P204 HydrophobicContact CB-CG 4.32Å
180	M	95.7	Very high	92	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-44.8	173.9	-73.8	-173.5	-72.3	0	0	111.1	Y143 I163 L175 D176 T177 E178 S184 P204 M453 F463	Y143-M180 HydrophobicContact CD1-CG 3.64Å; Y143-M180 HydrophobicContact CD1-SD 3.66Å; Y143-M180 HydrophobicContact CE1-CG 4.34Å; Y143-M180 HydrophobicContact CE1-SD 4.5Å; Y143-M180 HydrophobicContact CG-CB 4.25Å; Y143-M180 HydrophobicContact CG-CG 3.8Å; Y143-M180 HydrophobicContact CG-SD 4.22Å; I163-M180 HydrophobicContact CD1-CE 3.91Å; I163-M180 HydrophobicContact CG1-CE 4.49Å; L175-M180 HydrophobicContact CB-CE 3.91Å; L175-M180 HydrophobicContact CB-SD 4.03Å; L175-M180 HydrophobicContact CD2-SD 3.78Å; D176-M180 WeakPolarHBondContact O-CG 3.45Å; D176-M180 PolarHBondContact O-N 3.28Å; T177-M180 HydrophobicContact CG2-CE 3.85Å; T177-M180 PolarHBondContact O-N 3.42Å; E178-M180 VanDerWaalsContact C-N 3.35Å; E178-M180 PolarHBondContact O-N 2.73Å; M180-S184 WeakPolarHBondContact O-CB 3.35Å; M180-S184 PolarHBondContact O-N 3.26Å; M180-S184 VanDerWaalsContact O-N 3.13Å; M180-S184 PolarHBondContact O-OG 2.94Å; M180-P204 HydrophobicContact CB-CB 4.44Å; M180-P204 HydrophobicContact CG-CB 3.57Å; M180-P204 HydrophobicContact CG-CG 4.45Å; M180-M453 HydrophobicContact SD-CE 4.31Å; M180-F463 HydrophobicContact CB-CD1 3.64Å; M180-F463 HydrophobicContact CB-CE1 3.91Å; M180-F463 HydrophobicContact CB-CG 4.47Å; M180-F463 HydrophobicContact CE-CB 4.26Å; M180-F463 HydrophobicContact CE-CD1 4Å; M180-F463 HydrophobicContact CE-CD2 3.96Å; M180-F463 HydrophobicContact CE-CE1 4.32Å; M180-F463 HydrophobicContact CE-CE2 4.29Å; M180-F463 HydrophobicContact CE-CG 3.8Å; M180-F463 HydrophobicContact CE-CZ 4.45Å; M180-F463 HydrophobicContact CG-CD1 4.33Å; M180-F463 HydrophobicContact SD-CB 3.64Å; M180-F463 HydrophobicContact SD-CD1 3.88Å; M180-F463 HydrophobicContact SD-CD2 4.44Å; M180-F463 HydrophobicContact SD-CG 3.73Å
181	L	93.9	Very high	91.1	Very high	43 Å²	43	51.6 Å²	51.6	23%	0.225	28%	0.28	C	S	.	.	H	α-helix	trans	-65.4	-47.8	176.5	-68.5	174.4	0	0	0	111.9	C142 T177 E178 R179 K183 S184 A185 F463 Y465	C142-L181 HydrophobicContact CB-CD2 4.22Å; T177-L181 WeakPolarHBondContact O-CG 3.32Å; T177-L181 PolarHBondContact O-N 2.91Å; E178-L181 PolarHBondContact O-N 3.42Å; R179-L181 VanDerWaalsContact C-N 3.35Å; L181-K183 PolarHBondContact O-N 3.09Å; L181-S184 WeakPolarHBondContact O-CB 3.34Å; L181-S184 PolarHBondContact O-N 3.1Å; L181-S184 VanDerWaalsContact O-N 3.15Å; L181-S184 PolarHBondContact O-OG 2.76Å; L181-A185 PolarHBondContact O-N 3.49Å; L181-A185 VanDerWaalsContact O-N 3.13Å; L181-F463 HydrophobicContact CD2-CE1 3.81Å; L181-F463 HydrophobicContact CD2-CZ 4.43Å; L181-F463 HydrophobicContact CG-CE1 3.97Å; L181-F463 HydrophobicContact CG-CZ 4.47Å; L181-Y465 HydrophobicContact CD1-CD1 4.29Å; L181-Y465 HydrophobicContact CD1-CD2 4.27Å; L181-Y465 HydrophobicContact CD1-CE1 4.12Å; L181-Y465 HydrophobicContact CD1-CE2 4.08Å; L181-Y465 HydrophobicContact CD1-CG 4.38Å; L181-Y465 HydrophobicContact CD2-CD1 3.7Å; L181-Y465 HydrophobicContact CD2-CD2 4.11Å; L181-Y465 HydrophobicContact CD2-CE1 4.33Å; L181-Y465 HydrophobicContact CD2-CG 3.59Å
182	A	91.3	Very high	90.1	Very high	48 Å²	48	58.8 Å²	58.8	40%	0.397	32%	0.316	S	S	.	.	H	α-helix	trans	-58.3	-49.3	178.5	0	0	0	0	0	111.4	E178 S184 A185 M186	E178-A182 WeakPolarHBondContact O-CB 2.93Å; E178-A182 PolarHBondContact O-N 2.83Å; A182-S184 PolarHBondContact O-N 3.05Å; A182-A185 PolarHBondContact O-N 2.96Å; A182-A185 VanDerWaalsContact O-N 3.09Å; A182-M186 WeakPolarHBondContact O-CG 3.25Å; A182-M186 PolarHBondContact O-N 3.39Å; A182-M186 VanDerWaalsContact O-N 3.11Å
183	K	89.1	Confident	89.3	Confident	29 Å²	29	65.1 Å²	65.1	13%	0.126	35%	0.349	C	S	.	.	H	α-helix	trans	-60.9	-33.4	178.6	-163.6	66.9	161.6	-169.3	0	112.2	R179 L181 A185 M186 M191 E194 N199 P204	R179-K183 VanDerWaalsContact O-CB 3.27Å; R179-K183 WeakPolarHBondContact O-CB 3.46Å; R179-K183 PolarHBondContact O-N 2.91Å; L181-K183 PolarHBondContact O-N 3.09Å; K183-A185 VanDerWaalsContact C-N 3.34Å; K183-M186 HydrophobicContact CD-SD 4.04Å; K183-M191 HydrophobicContact CD-CE 4.16Å; K183-M191 HydrophobicContact CG-CE 4.43Å; K183-E194 IonicContact NZ-OE1 3.41Å; K183-E194 IonicContact NZ-OE2 3.87Å; K183-E194 PolarHBondContact NZ-OE2 3.12Å; K183-N199 PolarHBondContact NZ-OD1 3.49Å; K183-N199 VanDerWaalsContact NZ-OD1 3.09Å; K183-P204 HydrophobicContact CB-CG 3.96Å; K183-P204 HydrophobicContact CG-CG 4.23Å
184	S	88	Confident	88.4	Confident	31 Å²	31	65.4 Å²	65.4	22%	0.217	35%	0.351	C	S	.	.	H	α-helix	trans	-74.2	-22.4	178.8	80.2	0	0	0	0	114.3	C142 M180 L181 A182 R467	C142-S184 WeakPolarHBondContact O-CB 3.42Å; M180-S184 WeakPolarHBondContact O-CB 3.35Å; M180-S184 PolarHBondContact O-N 3.26Å; M180-S184 VanDerWaalsContact O-N 3.13Å; M180-S184 PolarHBondContact O-OG 2.94Å; L181-S184 WeakPolarHBondContact O-CB 3.34Å; L181-S184 PolarHBondContact O-N 3.1Å; L181-S184 VanDerWaalsContact O-N 3.15Å; L181-S184 PolarHBondContact O-OG 2.76Å; A182-S184 PolarHBondContact O-N 3.05Å; S184-R467 VanDerWaalsContact C-NH2 3.34Å; S184-R467 PolarHBondContact O-NH2 3.28Å; S184-R467 PolarHBondContact OG-NH2 3.02Å
185	A	87.1	Confident	87.7	Confident	74 Å²	74	68.9 Å²	68.9	61%	0.612	37%	0.373	S	S	*	.	H	α-helix	trans	-99.6	-9.1	-179.7	0	0	0	0	0	113.1	L181 A182 K183	L181-A185 PolarHBondContact O-N 3.49Å; L181-A185 VanDerWaalsContact O-N 3.13Å; A182-A185 PolarHBondContact O-N 2.96Å; A182-A185 VanDerWaalsContact O-N 3.09Å; K183-A185 VanDerWaalsContact C-N 3.34Å
186	M	84.6	Confident	86.9	Confident	55 Å²	55	73.2 Å²	73.2	27%	0.271	41%	0.408	S	S	.	.	S	Bend	trans	-67.8	130.6	-179.8	-81.7	173.8	-179.7	0	0	111.8	A182 K183 M191	A182-M186 WeakPolarHBondContact O-CG 3.25Å; A182-M186 PolarHBondContact O-N 3.39Å; A182-M186 VanDerWaalsContact O-N 3.11Å; K183-M186 HydrophobicContact CD-SD 4.04Å; M186-M191 HydrophobicContact CB-CG 3.88Å; M186-M191 HydrophobicContact CB-SD 4.29Å
187	P	85.6	Confident	86	Confident	80 Å²	80	78.1 Å²	78.1	52%	0.519	43%	0.43	S	S	.	.			trans	-61.1	144.5	172.2	-22.8	33.3	0	0	0	112.2	E189 V190 M191	P187-E189 PolarHBondContact O-N 3.33Å; P187-V190 HydrophobicContact CB-CG2 4.28Å; P187-V190 HydrophobicContact CG-CG2 4.36Å; P187-V190 PolarHBondContact O-N 2.76Å; P187-M191 PolarHBondContact O-N 3.2Å; P187-M191 VanDerWaalsContact O-N 3.15Å
188	I	80.1	Confident	85.3	Confident	125 Å²	125	82 Å²	82	64%	0.641	45%	0.448	S	S	*	.	H	α-helix	trans	-55.9	-38.6	-177.8	-62.5	171.8	0	0	0	111.7	V190 M191 M192	I188-V190 VanDerWaalsContact C-N 3.32Å; I188-V190 PolarHBondContact O-N 2.8Å; I188-M191 PolarHBondContact O-N 3.32Å; I188-M192 HydrophobicContact CG2-CG 4.39Å; I188-M192 HydrophobicContact CG2-SD 4.2Å; I188-M192 WeakPolarHBondContact O-CG 3.02Å; I188-M192 PolarHBondContact O-N 3.31Å
189	E	82	Confident	84.6	Confident	156 Å²	156	79 Å²	79	73%	0.729	44%	0.436	S	S	*	.	H	α-helix	trans	-61.1	-39.2	178.5	-63.2	178.4	-176.3	0	0	112.6	P187 N193	P187-E189 PolarHBondContact O-N 3.33Å; E189-N193 PolarHBondContact O-N 2.75Å; E189-N193 PolarHBondContact O-ND2 2.97Å
190	V	79.7	Confident	83.9	Confident	78 Å²	78	81.6 Å²	81.6	47%	0.473	45%	0.453	S	S	.	.	H	α-helix	trans	-70.1	-42.5	177.5	-179.1	0	0	0	0	109.8	P187 I188 M192 N193 E194	P187-V190 HydrophobicContact CB-CG2 4.28Å; P187-V190 HydrophobicContact CG-CG2 4.36Å; P187-V190 PolarHBondContact O-N 2.76Å; I188-V190 VanDerWaalsContact C-N 3.32Å; I188-V190 PolarHBondContact O-N 2.8Å; V190-M192 VanDerWaalsContact C-N 3.31Å; V190-M192 PolarHBondContact O-N 2.99Å; V190-N193 PolarHBondContact O-N 2.81Å; V190-N193 VanDerWaalsContact O-N 3.17Å; V190-E194 PolarHBondContact O-N 3.3Å; V190-E194 VanDerWaalsContact O-N 3.16Å
191	M	77.8	Confident	83.2	Confident	76 Å²	76	86.8 Å²	86.8	37%	0.374	48%	0.477	S	S	.	.	H	α-helix	trans	-62.6	-35.8	178.3	-62.8	179.5	73.6	0	0	112.9	K183 M186 P187 I188 N193	K183-M191 HydrophobicContact CD-CE 4.16Å; K183-M191 HydrophobicContact CG-CE 4.43Å; M186-M191 HydrophobicContact CB-CG 3.88Å; M186-M191 HydrophobicContact CB-SD 4.29Å; P187-M191 PolarHBondContact O-N 3.2Å; P187-M191 VanDerWaalsContact O-N 3.15Å; I188-M191 PolarHBondContact O-N 3.32Å; M191-N193 VanDerWaalsContact C-N 3.3Å
192	M	78.3	Confident	82.9	Confident	156 Å²	156	88.1 Å²	88.1	77%	0.768	49%	0.485	S	S	*	.	H	α-helix	trans	-71.3	-25.8	177.6	-75	-176.2	149.1	0	0	113.1	I188 V190	I188-M192 HydrophobicContact CG2-CG 4.39Å; I188-M192 HydrophobicContact CG2-SD 4.2Å; I188-M192 WeakPolarHBondContact O-CG 3.02Å; I188-M192 PolarHBondContact O-N 3.31Å; V190-M192 VanDerWaalsContact C-N 3.31Å; V190-M192 PolarHBondContact O-N 2.99Å
193	N	80.9	Confident	82.9	Confident	133 Å²	133	89.1 Å²	89.1	71%	0.711	48%	0.481	S	S	*	.	H	α-helix	trans	-96.7	-1.9	-178.4	-67.9	-20.3	0	0	0	113.2	E189 V190 M191 T195	E189-N193 PolarHBondContact O-N 2.75Å; E189-N193 PolarHBondContact O-ND2 2.97Å; V190-N193 PolarHBondContact O-N 2.81Å; V190-N193 VanDerWaalsContact O-N 3.17Å; M191-N193 VanDerWaalsContact C-N 3.3Å; N193-T195 PolarHBondContact O-N 2.76Å
194	E	80.6	Confident	83.3	Confident	35 Å²	35	87.7 Å²	87.7	16%	0.164	48%	0.475	C	S	.	.			trans	-63.9	127.1	175.8	-79.4	-173.2	138	0	0	110.8	K183 V190	K183-E194 IonicContact NZ-OE1 3.41Å; K183-E194 IonicContact NZ-OE2 3.87Å; K183-E194 PolarHBondContact NZ-OE2 3.12Å; V190-E194 PolarHBondContact O-N 3.3Å; V190-E194 VanDerWaalsContact O-N 3.16Å
195	T	84.4	Confident	83.7	Confident	74 Å²	74	87.1 Å²	87.1	45%	0.454	47%	0.47	S	S	.	.			trans	-65.4	154.3	169.5	61.2	0	0	0	0	110.4	N193 Q197 Q198 N199	N193-T195 PolarHBondContact O-N 2.76Å; T195-Q197 PolarHBondContact O-N 2.8Å; T195-Q197 VanDerWaalsContact O-N 3.11Å; T195-Q198 PolarHBondContact O-N 3.45Å; T195-Q198 VanDerWaalsContact O-N 3.14Å; T195-Q198 WeakPolarHBondContact OG1-CB 3.19Å; T195-Q198 VanDerWaalsContact OG1-CD 3.25Å; T195-Q198 VanDerWaalsContact OG1-CG 3.26Å; T195-Q198 WeakPolarHBondContact OG1-CG 3.01Å; T195-Q198 PolarHBondContact OG1-N 3.02Å; T195-Q198 PolarHBondContact OG1-OE1 2.88Å; T195-N199 PolarHBondContact O-N 2.98Å
196	A	81	Confident	84.1	Confident	90 Å²	90	85.2 Å²	85.2	74%	0.744	45%	0.449	S	S	*	.	H	α-helix	trans	-55.4	-32.9	177.7	0	0	0	0	0	112.7	M200	A196-M200 WeakPolarHBondContact O-CB 3.33Å; A196-M200 PolarHBondContact O-N 3.14Å; A196-M200 VanDerWaalsContact O-N 3.13Å
197	Q	79.9	Confident	84.7	Confident	134 Å²	134	84.4 Å²	84.4	63%	0.626	44%	0.443	S	S	*	.	H	α-helix	trans	-71.7	-45.1	178.9	-165	159.8	-11.6	0	0	112.1	T195 N199 M200 E201	T195-Q197 PolarHBondContact O-N 2.8Å; T195-Q197 VanDerWaalsContact O-N 3.11Å; Q197-N199 PolarHBondContact O-N 2.91Å; Q197-M200 PolarHBondContact O-N 2.85Å; Q197-E201 PolarHBondContact O-N 3.11Å
198	Q	80.9	Confident	85.3	Confident	92 Å²	92	82.1 Å²	82.1	43%	0.43	43%	0.427	S	S	.	.	H	α-helix	trans	-62	-42.3	174.2	-74.2	165.6	-32.8	0	0	112.1	T195 M200 E201 N202	T195-Q198 PolarHBondContact O-N 3.45Å; T195-Q198 VanDerWaalsContact O-N 3.14Å; T195-Q198 WeakPolarHBondContact OG1-CB 3.19Å; T195-Q198 VanDerWaalsContact OG1-CD 3.25Å; T195-Q198 VanDerWaalsContact OG1-CG 3.26Å; T195-Q198 WeakPolarHBondContact OG1-CG 3.01Å; T195-Q198 PolarHBondContact OG1-N 3.02Å; T195-Q198 PolarHBondContact OG1-OE1 2.88Å; Q198-M200 VanDerWaalsContact C-N 3.3Å; Q198-M200 PolarHBondContact O-N 3.04Å; Q198-E201 PolarHBondContact O-N 2.8Å; Q198-N202 WeakPolarHBondContact O-CB 3.42Å; Q198-N202 PolarHBondContact O-N 2.81Å
199	N	81.1	Confident	86.1	Confident	64 Å²	64	76.2 Å²	76.2	34%	0.342	40%	0.397	S	S	.	.	H	α-helix	trans	-64.1	-37	178.6	-168.6	12.7	0	0	0	111.6	K183 T195 Q197 H203	K183-N199 PolarHBondContact NZ-OD1 3.49Å; K183-N199 VanDerWaalsContact NZ-OD1 3.09Å; T195-N199 PolarHBondContact O-N 2.98Å; Q197-N199 PolarHBondContact O-N 2.91Å; N199-H203 WeakPolarHBondContact O-CA 3.21Å; N199-H203 WeakPolarHBondContact O-CB 3.41Å; N199-H203 PolarHBondContact O-N 2.99Å
200	M	79.1	Confident	86.8	Confident	140 Å²	140	74.8 Å²	74.8	69%	0.69	39%	0.386	S	S	*	.	H	α-helix	trans	-68.5	-42.4	175.8	-171.9	175.4	67.9	0	0	112.1	A196 Q197 Q198 N202 H203	A196-M200 WeakPolarHBondContact O-CB 3.33Å; A196-M200 PolarHBondContact O-N 3.14Å; A196-M200 VanDerWaalsContact O-N 3.13Å; Q197-M200 PolarHBondContact O-N 2.85Å; Q198-M200 VanDerWaalsContact C-N 3.3Å; Q198-M200 PolarHBondContact O-N 3.04Å; M200-N202 VanDerWaalsContact C-N 3.34Å; M200-H203 PolarHBondContact O-N 3.28Å
201	E	82.3	Confident	87.7	Confident	110 Å²	110	72.2 Å²	72.2	51%	0.514	37%	0.37	S	S	.	.	H	α-helix	trans	-68	-33.4	179.2	-75.5	177.6	-176.5	0	0	112.8	R179 Q197 Q198	R179-E201 VanDerWaalsContact CZ-O 3.24Å; R179-E201 PolarHBondContact NH1-O 3.02Å; R179-E201 PolarHBondContact NH2-O 3.26Å; Q197-E201 PolarHBondContact O-N 3.11Å; Q198-E201 PolarHBondContact O-N 2.8Å
202	N	86.7	Confident	88.6	Confident	71 Å²	71	69.2 Å²	69.2	38%	0.38	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	6.1	-178.6	-62.9	-18.5	0	0	0	113.4	Q198 M200	Q198-N202 WeakPolarHBondContact O-CB 3.42Å; Q198-N202 PolarHBondContact O-N 2.81Å; M200-N202 VanDerWaalsContact C-N 3.34Å
203	H	92.5	Very high	89.6	Confident	68 Å²	68	68 Å²	68	32%	0.315	36%	0.356	S	S	.	.			trans	-63.3	130.8	-176.4	-163	-93.1	0	0	0	110.6	R179 N199 M200 V205	R179-H203 WeakPolarHBondContact CD-O 3.37Å; R179-H203 PolarHBondContact NH1-O 3.06Å; N199-H203 WeakPolarHBondContact O-CA 3.21Å; N199-H203 WeakPolarHBondContact O-CB 3.41Å; N199-H203 PolarHBondContact O-N 2.99Å; M200-H203 PolarHBondContact O-N 3.28Å; H203-V205 VanDerWaalsContact C-N 3.31Å; H203-V205 WeakPolarHBondContact ND1-CB 3.16Å; H203-V205 PolarHBondContact ND1-N 2.93Å; H203-V205 VanDerWaalsContact ND1-N 3.17Å; H203-V205 PolarHBondContact ND1-O 3.04Å; H203-V205 PolarHBondContact O-N 3.42Å
204	P	96.2	Very high	90.4	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.338	C	S	.	.	S	Bend	trans	-64.4	-32.4	-178.6	-25.9	35.4	0	0	0	114.1	Y143 L175 D176 R179 M180 K183 I206	Y143-P204 HydrophobicContact CD1-CB 4.41Å; Y143-P204 HydrophobicContact CD2-CG 4.17Å; Y143-P204 HydrophobicContact CE1-CB 3.99Å; Y143-P204 HydrophobicContact CE1-CG 4.44Å; Y143-P204 HydrophobicContact CE2-CB 4.17Å; Y143-P204 HydrophobicContact CE2-CG 3.72Å; L175-P204 VanDerWaalsContact CA-O 3.26Å; L175-P204 WeakPolarHBondContact CA-O 3.38Å; D176-P204 PolarHBondContact N-O 3Å; R179-P204 HydrophobicContact CB-CB 4.16Å; R179-P204 HydrophobicContact CB-CG 4.32Å; M180-P204 HydrophobicContact CB-CB 4.44Å; M180-P204 HydrophobicContact CG-CB 3.57Å; M180-P204 HydrophobicContact CG-CG 4.45Å; K183-P204 HydrophobicContact CB-CG 3.96Å; K183-P204 HydrophobicContact CG-CG 4.23Å; P204-I206 PolarHBondContact O-N 3.13Å
205	V	96.9	Very high	91.3	Very high	18 Å²	18	63.8 Å²	63.8	11%	0.109	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	101.1	168.9	-175.9	0	0	0	0	108.3	K173 I174 L175 H203 R207 T208	K173-V205 HydrophobicContact CB-CG1 3.97Å; K173-V205 HydrophobicContact CD-CG1 4.39Å; K173-V205 HydrophobicContact CD-CG2 4.46Å; K173-V205 HydrophobicContact CG-CG1 4.07Å; I174-V205 CarbonylContact O-C 3.55Å; L175-V205 HydrophobicContact CD2-CG2 3.93Å; L175-V205 HydrophobicContact CG-CG2 4.17Å; H203-V205 VanDerWaalsContact C-N 3.31Å; H203-V205 WeakPolarHBondContact ND1-CB 3.16Å; H203-V205 PolarHBondContact ND1-N 2.93Å; H203-V205 VanDerWaalsContact ND1-N 3.17Å; H203-V205 PolarHBondContact ND1-O 3.04Å; H203-V205 PolarHBondContact O-N 3.42Å; V205-R207 WeakPolarHBondContact CG1-O 3.35Å; V205-T208 HydrophobicContact CG1-CG2 3.95Å
206	I	96.1	Very high	92	Very high	34 Å²	34	60.2 Å²	60.2	17%	0.174	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-25	-176	60.3	163.5	0	0	0	112.9	L162 I174 D176 P204	L162-I206 HydrophobicContact CD2-CD1 3.75Å; I174-I206 HydrophobicContact CB-CG1 4.21Å; I174-I206 HydrophobicContact CG2-CD1 3.93Å; I174-I206 HydrophobicContact CG2-CG1 3.9Å; I174-I206 VanDerWaalsContact O-CG1 3.3Å; I174-I206 WeakPolarHBondContact O-CG1 3.16Å; I174-I206 PolarHBondContact O-N 3.03Å; D176-I206 HydrophobicContact CB-CG2 3.79Å; P204-I206 PolarHBondContact O-N 3.13Å
207	R	96.9	Very high	92.8	Very high	39 Å²	39	56.9 Å²	56.9	15%	0.147	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	149.8	176	-53.5	-73.1	-179.2	-90.9	-0.3	111.4	K173 I174 V205 L209 Y242 S243 K244 P245	K173-R207 WeakPolarHBondContact CA-O 3.34Å; I174-R207 HydrophobicContact CB-CB 3.93Å; I174-R207 HydrophobicContact CB-CG 4.3Å; I174-R207 HydrophobicContact CD1-CB 4.17Å; I174-R207 HydrophobicContact CD1-CG 4.26Å; I174-R207 HydrophobicContact CG1-CB 4.17Å; I174-R207 PolarHBondContact N-O 3.12Å; I174-R207 PolarHBondContact O-N 2.87Å; V205-R207 WeakPolarHBondContact CG1-O 3.35Å; R207-L209 HydrophobicContact CB-CD2 4.46Å; R207-Y242 PolarHBondContact NE-O 3.36Å; R207-Y242 PolarHBondContact NH2-O 2.87Å; R207-S243 PolarHBondContact NH2-O 2.9Å; R207-K244 PolarHBondContact NE-O 3.48Å; R207-P245 VanDerWaalsContact CZ-CA 3.48Å
208	T	97	Very high	93.7	Very high	31 Å²	31	50.8 Å²	50.8	19%	0.19	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	119.3	168.7	44.3	0	0	0	0	108.3	I172 K173 V205 K248	I172-T208 CarbonylContact O-C 3.54Å; I172-T208 WeakPolarHBondContact O-CA 3.48Å; K173-T208 HydrophobicContact CG-CG2 4.21Å; V205-T208 HydrophobicContact CG1-CG2 3.95Å; T208-K248 WeakPolarHBondContact O-CD 3.19Å; T208-K248 PolarHBondContact O-NZ 3.28Å; T208-K248 PolarHBondContact OG1-NZ 2.75Å
209	L	98.2	Very high	94.6	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135.6	-175.2	-45	169.1	0	0	0	109	I172 I174 R207 L228 F240 A247	I172-L209 HydrophobicContact CB-CB 4.15Å; I172-L209 HydrophobicContact CB-CD1 4.31Å; I172-L209 HydrophobicContact CD1-CD1 4.49Å; I172-L209 HydrophobicContact CG2-CD1 4.23Å; I172-L209 PolarHBondContact N-O 3.26Å; I172-L209 VanDerWaalsContact N-O 3.07Å; I172-L209 PolarHBondContact O-N 2.74Å; I174-L209 HydrophobicContact CD1-CD1 4.24Å; R207-L209 HydrophobicContact CB-CD2 4.46Å; L209-L228 HydrophobicContact CD1-CD2 3.95Å; L209-F240 HydrophobicContact CB-CD1 3.94Å; L209-F240 HydrophobicContact CB-CE1 3.86Å; L209-F240 HydrophobicContact CB-CZ 4.4Å; L209-F240 HydrophobicContact CD1-CB 3.77Å; L209-F240 HydrophobicContact CD1-CD1 3.9Å; L209-F240 HydrophobicContact CD1-CD2 4.16Å; L209-F240 HydrophobicContact CD1-CE1 4.49Å; L209-F240 HydrophobicContact CD1-CG 3.7Å; L209-F240 HydrophobicContact CD2-CD1 4.18Å; L209-F240 HydrophobicContact CG-CD1 4.22Å; L209-A247 WeakPolarHBondContact CD2-O 3.26Å
210	Y	95.8	Very high	95.4	Very high	126 Å²	126	44.2 Å²	44.2	49%	0.494	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	98.5	-176.3	-57.2	-83.1	0	0	0	108.9	S171 K248	S171-Y210 VanDerWaalsContact CB-CE1 3.43Å; Y210-K248 CarbonylContact C-O 3.56Å; Y210-K248 HydrophobicContact CD2-CD 4.28Å; Y210-K248 PolarHBondContact N-O 2.99Å
211	D	98.2	Very high	96.3	Very high	25 Å²	25	38.1 Å²	38.1	13%	0.134	19%	0.193	C	C	.	.			trans	-153.1	-10.6	174.9	-159.3	53	0	0	0	113.7	K238 F240 R249 A250	D211-K238 VanDerWaalsContact C-CE 3.5Å; D211-K238 HydrophobicContact CB-CD 3.96Å; D211-K238 WeakPolarHBondContact O-CE 3.25Å; D211-K238 PolarHBondContact O-NZ 3.28Å; D211-K238 WeakPolarHBondContact OD2-CD 3.46Å; D211-K238 IonicContact OD2-NZ 3.95Å; D211-K238 PolarHBondContact OD2-NZ 2.89Å; D211-F240 HydrophobicContact CB-CE1 3.8Å; D211-F240 HydrophobicContact CB-CZ 3.88Å; D211-R249 HydrophobicContact CB-CB 4.4Å; D211-R249 IonicContact OD1-CZ 3.01Å; D211-R249 IonicContact OD1-NE 2.8Å; D211-R249 PolarHBondContact OD1-NE 2.74Å; D211-R249 IonicContact OD1-NH2 2.76Å; D211-R249 PolarHBondContact OD1-NH2 2.95Å; D211-A250 WeakPolarHBondContact OD2-CB 3.38Å; D211-A250 PolarHBondContact OD2-N 2.68Å
212	H	98.6	Very high	97.1	Very high	13 Å²	13	33.8 Å²	33.8	6%	0.06	17%	0.173	C	C	.	.			trans	-80.3	156.9	167.7	-76.2	-65.3	0	0	0	111	A170 V216 S230 S232 D234 T236 K238	A170-H212 HydrophobicContact CB-CB 4.03Å; A170-H212 WeakPolarHBondContact CB-O 3.25Å; H212-V216 HydrophobicContact CB-CG2 4.16Å; H212-S230 PolarHBondContact CD2-OG 3.07Å; H212-S230 WeakPolarHBondContact NE2-CB 3.42Å; H212-S230 PolarHBondContact NE2-OG 2.64Å; H212-S232 WeakPolarHBondContact CE1-CB 3.46Å; H212-S232 WeakPolarHBondContact ND1-CB 3.39Å; H212-D234 VanDerWaalsContact CA-OD2 3.23Å; H212-D234 WeakPolarHBondContact CA-OD2 3.34Å; H212-D234 WeakPolarHBondContact CB-OD2 3.46Å; H212-D234 IonicContact CE1-OD1 3.23Å; H212-D234 IonicContact CE1-OD2 2.82Å; H212-D234 IonicContact CG-OD2 3.8Å; H212-D234 IonicContact ND1-OD1 3.34Å; H212-D234 PolarHBondContact ND1-OD1 3.36Å; H212-D234 IonicContact ND1-OD2 3.47Å; H212-D234 PolarHBondContact ND1-OD2 3.16Å; H212-T236 PolarHBondContact CE1-OG1 2.84Å; H212-T236 VanDerWaalsContact CE1-OG1 3.23Å; H212-T236 PolarHBondContact ND1-OG1 3.11Å; H212-K238 VanDerWaalsContact CE1-CD 3.44Å; H212-K238 WeakPolarHBondContact CE1-CD 3.22Å; H212-K238 WeakPolarHBondContact ND1-CE 3.31Å
213	V	98.3	Very high	97.5	Very high	130 Å²	130	31.7 Å²	31.7	79%	0.788	16%	0.163	S	C	*	.	S	Bend	trans	-117.4	-1.4	178	-61.9	0	0	0	0	113.4	D234	V213-D234 HydrophobicContact CG2-CB 3.58Å; V213-D234 PolarHBondContact N-OD2 3.02Å
214	D	98.7	Very high	97.6	Very high	65 Å²	65	33.7 Å²	33.7	35%	0.348	18%	0.18	S	C	.	.	S	Bend	trans	-144.5	175.2	173.2	-160.5	-2.8	0	0	0	109.6	A170 V216 S232 R233 D234	A170-D214 VanDerWaalsContact CB-O 3.32Å; A170-D214 WeakPolarHBondContact CB-O 3.35Å; D214-V216 PolarHBondContact O-N 3.12Å; D214-S232 PolarHBondContact O-OG 3.36Å; D214-R233 HydrophobicContact CB-CB 4.13Å; D214-R233 VanDerWaalsContact OD2-CB 3.28Å; D214-R233 WeakPolarHBondContact OD2-CB 3.49Å; D214-D234 HydrophobicContact CB-CB 3.85Å
215	E	98.6	Very high	97.7	Very high	14 Å²	14	39.1 Å²	39.1	7%	0.065	21%	0.206	C	C	.	.			trans	-46.5	126.4	-175.2	175.9	171	-133.8	0	0	113.9	R152 A168 T217 S232 R233	R152-E215 WeakPolarHBondContact CD-OE1 3.4Å; R152-E215 WeakPolarHBondContact CG-OE1 3.25Å; R152-E215 IonicContact CZ-OE1 3.35Å; R152-E215 IonicContact NE-OE1 2.91Å; R152-E215 PolarHBondContact NE-OE1 3.47Å; R152-E215 VanDerWaalsContact NH1-CD 3.31Å; R152-E215 IonicContact NH1-OE1 2.73Å; R152-E215 PolarHBondContact NH1-OE1 2.9Å; R152-E215 IonicContact NH1-OE2 3.88Å; R152-E215 PolarHBondContact NH1-OE2 3.25Å; R152-E215 VanDerWaalsContact NH1-OE2 3.11Å; A168-E215 HydrophobicContact CB-CB 4.2Å; A168-E215 HydrophobicContact CB-CG 4.13Å; E215-T217 HydrophobicContact CG-CG2 4.24Å; E215-T217 PolarHBondContact O-N 3.11Å; E215-S232 CarbonylContact O-C 3.46Å; E215-S232 VanDerWaalsContact O-CA 3.22Å; E215-S232 WeakPolarHBondContact O-CA 3.47Å; E215-S232 WeakPolarHBondContact O-CB 3.27Å; E215-S232 PolarHBondContact O-OG 3.04Å; E215-R233 HydrophobicContact CB-CG 4.07Å; E215-R233 PolarHBondContact O-N 2.9Å; E215-R233 WeakPolarHBondContact OE2-CD 3.44Å
216	V	98.8	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	118.5	170.1	-177.5	0	0	0	0	109.3	V153 S167 I172 H212 D214 L219 S230	V153-V216 HydrophobicContact CG1-CG1 4.25Å; V153-V216 WeakPolarHBondContact CG1-O 3.12Å; S167-V216 PolarHBondContact O-N 3.47Å; S167-V216 VanDerWaalsContact O-N 3.09Å; I172-V216 HydrophobicContact CD1-CG1 4.42Å; I172-V216 HydrophobicContact CD1-CG2 4.38Å; I172-V216 HydrophobicContact CG1-CG1 4.23Å; I172-V216 HydrophobicContact CG1-CG2 3.95Å; H212-V216 HydrophobicContact CB-CG2 4.16Å; D214-V216 PolarHBondContact O-N 3.12Å; V216-L219 HydrophobicContact CG1-CD2 3.78Å; V216-L219 HydrophobicContact CG1-CG 4.14Å; V216-S230 VanDerWaalsContact CG1-OG 3.23Å; V216-S230 WeakPolarHBondContact CG1-OG 3.28Å
217	T	98.7	Very high	97.8	Very high	19 Å²	19	42 Å²	42	12%	0.117	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-25.2	-169.8	48.4	0	0	0	0	114.1	E215 G231 R233 L260	E215-T217 HydrophobicContact CG-CG2 4.24Å; E215-T217 PolarHBondContact O-N 3.11Å; T217-G231 PolarHBondContact N-O 3.49Å; T217-G231 PolarHBondContact OG1-O 3.43Å; T217-R233 HydrophobicContact CG2-CG 3.53Å; T217-L260 PolarHBondContact OG1-O 3.22Å
218	C	98.6	Very high	97.9	Very high	7 Å²	7	40.2 Å²	40.2	5%	0.047	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	145.3	-175.5	51.6	0	0	0	0	110.8	S230 G231 I263	C218-S230 WeakPolarHBondContact O-CA 3.26Å; C218-G231 PolarHBondContact N-O 2.75Å; C218-G231 PolarHBondContact O-N 2.87Å; C218-I263 HydrophobicContact CB-CG1 3.97Å
219	L	98.9	Very high	97.9	Very high	10 Å²	10	38.7 Å²	38.7	5%	0.052	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143.7	-176.6	-67.5	172.3	0	0	0	109.1	V153 T155 A164 I172 V216 L228 A229	V153-L219 HydrophobicContact CG1-CD1 3.88Å; V153-L219 HydrophobicContact CG1-CG 4.02Å; V153-L219 HydrophobicContact CG2-CB 4.2Å; V153-L219 HydrophobicContact CG2-CD1 4.27Å; V153-L219 HydrophobicContact CG2-CG 4.13Å; T155-L219 WeakPolarHBondContact CB-O 3.33Å; T155-L219 HydrophobicContact CG2-CB 3.51Å; T155-L219 PolarHBondContact OG1-O 3.34Å; A164-L219 HydrophobicContact CB-CD1 3.92Å; I172-L219 HydrophobicContact CD1-CD2 3.98Å; I172-L219 HydrophobicContact CG1-CD2 4.28Å; I172-L219 HydrophobicContact CG2-CD1 4.3Å; I172-L219 HydrophobicContact CG2-CD2 4.17Å; V216-L219 HydrophobicContact CG1-CD2 3.78Å; V216-L219 HydrophobicContact CG1-CG 4.14Å; L219-L228 HydrophobicContact CD2-CD2 4.23Å; L219-L228 HydrophobicContact CD2-CG 4.47Å; L219-A229 WeakPolarHBondContact CA-O 3.48Å
220	A	98.8	Very high	98	Very high	8 Å²	8	38.7 Å²	38.7	7%	0.066	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	128.6	171	0	0	0	0	0	110.3	A229 I263 F265	A220-A229 PolarHBondContact N-O 3.46Å; A220-A229 PolarHBondContact O-N 3.23Å; A220-I263 HydrophobicContact CB-CD1 4.06Å; A220-I263 HydrophobicContact CB-CG1 4.05Å; A220-F265 HydrophobicContact CB-CD2 3.64Å; A220-F265 HydrophobicContact CB-CE2 4.29Å; A220-F265 WeakPolarHBondContact O-CE2 3.37Å
221	F	98.7	Very high	98.1	Very high	11 Å²	11	32.7 Å²	32.7	5%	0.048	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	139.2	168.8	-76.4	-83.3	0	0	0	110	T155 S157 L162 A164 I174 L228 Y242 F265	T155-F221 HydrophobicContact CG2-CD2 3.82Å; T155-F221 HydrophobicContact CG2-CE2 3.97Å; S157-F221 VanDerWaalsContact N-CD2 3.31Å; L162-F221 HydrophobicContact CB-CE1 4.21Å; L162-F221 HydrophobicContact CB-CE2 4.39Å; L162-F221 HydrophobicContact CB-CZ 3.82Å; L162-F221 HydrophobicContact CD1-CE1 4.2Å; A164-F221 HydrophobicContact CB-CE2 3.66Å; A164-F221 HydrophobicContact CB-CZ 3.64Å; I174-F221 HydrophobicContact CD1-CE1 4.4Å; I174-F221 HydrophobicContact CG2-CE1 4.37Å; I174-F221 HydrophobicContact CG2-CZ 4.13Å; F221-L228 HydrophobicContact CD1-CD1 3.95Å; F221-L228 HydrophobicContact CD2-CD1 4.13Å; F221-L228 HydrophobicContact CE1-CD1 4.03Å; F221-L228 HydrophobicContact CE2-CD1 4.22Å; F221-L228 HydrophobicContact CG-CD1 4.01Å; F221-L228 HydrophobicContact CZ-CD1 4.17Å; F221-Y242 AromaticContact CD1-CE1 3.69Å; F221-Y242 HydrophobicContact CD1-CE1 3.69Å; F221-Y242 AromaticContact CD1-CZ 3.8Å; F221-Y242 WeakPolarHBondContact CD1-OH 3.42Å; F221-Y242 AromaticContact CE1-CE1 3.77Å; F221-Y242 HydrophobicContact CE1-CE1 3.77Å; F221-Y242 AromaticContact CE1-CZ 3.82Å; F221-F265 VanDerWaalsContact O-CD2 3.26Å; F221-F265 WeakPolarHBondContact O-CD2 3.25Å
222	H	98.4	Very high	98.2	Very high	19 Å²	19	31.5 Å²	31.5	9%	0.088	17%	0.172	C	C	.	.			trans	-63.6	141.7	167.7	-172.7	-84.1	0	0	0	109.5	T224 E225 I227 F265 G269	H222-T224 VanDerWaalsContact C-N 3.32Å; H222-T224 PolarHBondContact CE1-OG1 3.02Å; H222-T224 PolarHBondContact ND1-N 2.82Å; H222-T224 PolarHBondContact ND1-OG1 3.32Å; H222-T224 PolarHBondContact O-N 3.03Å; H222-E225 WeakPolarHBondContact ND1-CB 3.36Å; H222-E225 PolarHBondContact ND1-N 3.4Å; H222-I227 HydrophobicContact CB-CB 3.68Å; H222-I227 HydrophobicContact CB-CG2 4.23Å; H222-I227 VanDerWaalsContact CB-O 3.23Å; H222-I227 WeakPolarHBondContact CB-O 3.4Å; H222-I227 PolarHBondContact N-O 2.77Å; H222-F265 HydrophobicContact CB-CE2 4.09Å; H222-F265 HydrophobicContact CB-CZ 4.12Å; H222-F265 AromaticContact CD2-CE1 3.69Å; H222-F265 AromaticContact CD2-CZ 3.92Å; H222-G269 WeakPolarHBondContact NE2-CA 3.12Å; H222-G269 PolarHBondContact NE2-O 3.23Å
223	P	95.7	Very high	98.2	Very high	28 Å²	28	35.3 Å²	35.3	18%	0.182	19%	0.186	C	C	.	.	S	Bend	trans	-69.8	-23.9	-170.7	25.1	-35.3	0	0	0	114.8	P267	P223-P267 WeakPolarHBondContact CG-O 3.4Å
224	T	94.4	Very high	98.2	Very high	110 Å²	110	30.2 Å²	30.2	68%	0.675	15%	0.154	S	C	*	.	S	Bend	trans	-127.8	-50.7	-173.7	56.1	0	0	0	0	113	H222	H222-T224 VanDerWaalsContact C-N 3.32Å; H222-T224 PolarHBondContact CE1-OG1 3.02Å; H222-T224 PolarHBondContact ND1-N 2.82Å; H222-T224 PolarHBondContact ND1-OG1 3.32Å; H222-T224 PolarHBondContact O-N 3.03Å
225	E	96.7	Very high	98.2	Very high	113 Å²	113	31.3 Å²	31.3	53%	0.528	15%	0.154	S	C	.	.	S	Bend	trans	-78.3	158.5	177.4	-55.7	-175.2	-178.6	0	0	114.3	H222 I227	H222-E225 WeakPolarHBondContact ND1-CB 3.36Å; H222-E225 PolarHBondContact ND1-N 3.4Å; E225-I227 HydrophobicContact CB-CD1 4.1Å; E225-I227 HydrophobicContact CB-CG1 4.16Å; E225-I227 PolarHBondContact O-N 2.94Å; E225-I227 WeakPolarHBondContact OE2-CD1 3.46Å
226	Q	97.4	Very high	98.2	Very high	100 Å²	100	31.4 Å²	31.4	47%	0.467	16%	0.155	S	C	.	.	S	Bend	trans	-76.9	55.9	173.9	-70.1	-178.7	85.6	0	0	112	D241 Y242	Q226-D241 WeakPolarHBondContact O-CA 3.31Å; Q226-Y242 VanDerWaalsContact C-CD1 3.45Å; Q226-Y242 VanDerWaalsContact CA-CZ 3.42Å; Q226-Y242 HydrophobicContact CB-CD2 3.92Å; Q226-Y242 HydrophobicContact CB-CE1 4.29Å; Q226-Y242 HydrophobicContact CB-CE2 3.61Å; Q226-Y242 HydrophobicContact CB-CG 4.36Å; Q226-Y242 HydrophobicContact CG-CD2 4.34Å; Q226-Y242 HydrophobicContact CG-CE2 3.75Å; Q226-Y242 WeakPolarHBondContact O-CD1 3.23Å; Q226-Y242 WeakPolarHBondContact O-CE1 3.12Å; Q226-Y242 PolarHBondContact O-N 3.39Å
227	I	98.2	Very high	98.2	Very high	14 Å²	14	31.5 Å²	31.5	7%	0.072	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.1	179.3	-66.2	171.8	0	0	0	110.1	H222 E225 L239 F240 Y242 F251	H222-I227 HydrophobicContact CB-CB 3.68Å; H222-I227 HydrophobicContact CB-CG2 4.23Å; H222-I227 VanDerWaalsContact CB-O 3.23Å; H222-I227 WeakPolarHBondContact CB-O 3.4Å; H222-I227 PolarHBondContact N-O 2.77Å; E225-I227 HydrophobicContact CB-CD1 4.1Å; E225-I227 HydrophobicContact CB-CG1 4.16Å; E225-I227 PolarHBondContact O-N 2.94Å; E225-I227 WeakPolarHBondContact OE2-CD1 3.46Å; I227-L239 HydrophobicContact CG2-CB 4.31Å; I227-L239 HydrophobicContact CG2-CD2 4.38Å; I227-F240 CarbonylContact C-O 3.46Å; I227-F240 VanDerWaalsContact CA-O 3.25Å; I227-F240 WeakPolarHBondContact CA-O 3.11Å; I227-Y242 VanDerWaalsContact N-CE1 3.31Å; I227-F251 HydrophobicContact CD1-CE1 4.25Å; I227-F251 HydrophobicContact CD1-CZ 3.91Å; I227-F251 HydrophobicContact CG1-CE1 4.19Å; I227-F251 HydrophobicContact CG1-CZ 4.35Å; I227-F251 HydrophobicContact CG2-CE1 4.31Å
228	L	98.7	Very high	98.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.3	169.1	-177.7	70.4	0	0	0	108.9	T155 A164 I172 I174 L209 L219 F221 F240 Y242	T155-L228 HydrophobicContact CG2-CD1 4.5Å; A164-L228 HydrophobicContact CB-CD1 3.83Å; A164-L228 HydrophobicContact CB-CD2 3.79Å; I172-L228 HydrophobicContact CG2-CD2 3.7Å; I174-L228 HydrophobicContact CD1-CD2 4.07Å; I174-L228 HydrophobicContact CG1-CD2 4.14Å; L209-L228 HydrophobicContact CD1-CD2 3.95Å; L219-L228 HydrophobicContact CD2-CD2 4.23Å; L219-L228 HydrophobicContact CD2-CG 4.47Å; F221-L228 HydrophobicContact CD1-CD1 3.95Å; F221-L228 HydrophobicContact CD2-CD1 4.13Å; F221-L228 HydrophobicContact CE1-CD1 4.03Å; F221-L228 HydrophobicContact CE2-CD1 4.22Å; F221-L228 HydrophobicContact CG-CD1 4.01Å; F221-L228 HydrophobicContact CZ-CD1 4.17Å; L228-F240 HydrophobicContact CB-CB 4.49Å; L228-F240 PolarHBondContact N-O 3.38Å; L228-F240 PolarHBondContact O-N 3Å; L228-Y242 HydrophobicContact CB-CD1 3.97Å; L228-Y242 HydrophobicContact CB-CE1 4.19Å
229	A	98.8	Very high	98.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	139.8	166.8	0	0	0	0	0	110.1	L219 A220 K238 L239 I263 F265 I272	L219-A229 WeakPolarHBondContact CA-O 3.48Å; A220-A229 PolarHBondContact N-O 3.46Å; A220-A229 PolarHBondContact O-N 3.23Å; A229-K238 CarbonylContact C-O 3.48Å; A229-K238 WeakPolarHBondContact CA-O 3.3Å; A229-L239 HydrophobicContact CB-CD2 3.64Å; A229-I263 HydrophobicContact CB-CD1 3.83Å; A229-F265 HydrophobicContact CB-CD2 4.26Å; A229-F265 HydrophobicContact CB-CE2 3.33Å; A229-F265 HydrophobicContact CB-CZ 3.68Å; A229-I272 HydrophobicContact CB-CD1 3.57Å
230	S	98.8	Very high	98.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	129.3	-178.2	176.3	0	0	0	0	110.5	I172 H212 V216 C218 L237 K238	I172-S230 VanDerWaalsContact CD1-OG 3.25Å; I172-S230 WeakPolarHBondContact CD1-OG 3.39Å; H212-S230 PolarHBondContact CD2-OG 3.07Å; H212-S230 WeakPolarHBondContact NE2-CB 3.42Å; H212-S230 PolarHBondContact NE2-OG 2.64Å; V216-S230 VanDerWaalsContact CG1-OG 3.23Å; V216-S230 WeakPolarHBondContact CG1-OG 3.28Å; C218-S230 WeakPolarHBondContact O-CA 3.26Å; S230-L237 CarbonylContact O-C 3.57Å; S230-L237 VanDerWaalsContact O-CA 3.29Å; S230-L237 WeakPolarHBondContact O-CA 3.18Å; S230-K238 PolarHBondContact N-O 2.94Å; S230-K238 PolarHBondContact O-N 2.89Å
231	G	98.8	Very high	98.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	142.6	172.2	0	0	0	0	0	111.4	T217 C218	T217-G231 PolarHBondContact N-O 3.49Å; T217-G231 PolarHBondContact OG1-O 3.43Å; C218-G231 PolarHBondContact N-O 2.75Å; C218-G231 PolarHBondContact O-N 2.87Å
232	S	98.8	Very high	98	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	166.7	-175.3	167.9	0	0	0	0	112.8	H212 D214 E215 D234 T236 L260	H212-S232 WeakPolarHBondContact CE1-CB 3.46Å; H212-S232 WeakPolarHBondContact ND1-CB 3.39Å; D214-S232 PolarHBondContact O-OG 3.36Å; E215-S232 CarbonylContact O-C 3.46Å; E215-S232 VanDerWaalsContact O-CA 3.22Å; E215-S232 WeakPolarHBondContact O-CA 3.47Å; E215-S232 WeakPolarHBondContact O-CB 3.27Å; E215-S232 PolarHBondContact O-OG 3.04Å; S232-D234 VanDerWaalsContact CB-OD1 3.24Å; S232-D234 WeakPolarHBondContact CB-OD1 3.44Å; S232-D234 PolarHBondContact O-N 2.87Å; S232-D234 PolarHBondContact OG-N 3.23Å; S232-D234 PolarHBondContact OG-OD1 3.11Å; S232-T236 PolarHBondContact N-O 2.77Å; S232-T236 VanDerWaalsContact N-O 3.17Å; S232-L260 PolarHBondContact O-N 3.27Å
233	R	98.7	Very high	97.9	Very high	94 Å²	94	34.6 Å²	34.6	36%	0.355	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-11.2	166.5	-61.1	-165.6	71	172.7	-4	113.6	D214 E215 T217 Y235 M259	D214-R233 HydrophobicContact CB-CB 4.13Å; D214-R233 VanDerWaalsContact OD2-CB 3.28Å; D214-R233 WeakPolarHBondContact OD2-CB 3.49Å; E215-R233 HydrophobicContact CB-CG 4.07Å; E215-R233 PolarHBondContact O-N 2.9Å; E215-R233 WeakPolarHBondContact OE2-CD 3.44Å; T217-R233 HydrophobicContact CG2-CG 3.53Å; R233-Y235 WeakPolarHBondContact O-CD2 3.49Å; R233-Y235 WeakPolarHBondContact O-CE2 3.48Å; R233-Y235 PolarHBondContact O-N 3.45Å; R233-Y235 VanDerWaalsContact O-N 3.17Å; R233-M259 HydrophobicContact CB-CE 4.44Å; R233-M259 HydrophobicContact CB-CG 4.29Å; R233-M259 HydrophobicContact CB-SD 3.98Å; R233-M259 HydrophobicContact CG-SD 4.15Å; R233-M259 PolarHBondContact NE-SD 3.08Å; R233-M259 PolarHBondContact NH2-SD 2.82Å; R233-M259 VanDerWaalsContact NH2-SD 3.38Å; R233-M259 WeakPolarHBondContact O-CG 3.43Å
234	D	98.6	Very high	97.7	Very high	22 Å²	22	39.4 Å²	39.4	12%	0.118	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	13.2	172.9	72	9.5	0	0	0	114.1	H212 V213 D214 S232 T236	H212-D234 VanDerWaalsContact CA-OD2 3.23Å; H212-D234 WeakPolarHBondContact CA-OD2 3.34Å; H212-D234 WeakPolarHBondContact CB-OD2 3.46Å; H212-D234 IonicContact CE1-OD1 3.23Å; H212-D234 IonicContact CE1-OD2 2.82Å; H212-D234 IonicContact CG-OD2 3.8Å; H212-D234 IonicContact ND1-OD1 3.34Å; H212-D234 PolarHBondContact ND1-OD1 3.36Å; H212-D234 IonicContact ND1-OD2 3.47Å; H212-D234 PolarHBondContact ND1-OD2 3.16Å; V213-D234 HydrophobicContact CG2-CB 3.58Å; V213-D234 PolarHBondContact N-OD2 3.02Å; D214-D234 HydrophobicContact CB-CB 3.85Å; S232-D234 VanDerWaalsContact CB-OD1 3.24Å; S232-D234 WeakPolarHBondContact CB-OD1 3.44Å; S232-D234 PolarHBondContact O-N 2.87Å; S232-D234 PolarHBondContact OG-N 3.23Å; S232-D234 PolarHBondContact OG-OD1 3.11Å; D234-T236 PolarHBondContact O-N 2.78Å; D234-T236 WeakPolarHBondContact OD1-CB 3.18Å; D234-T236 PolarHBondContact OD1-N 3.09Å; D234-T236 PolarHBondContact OD1-OG1 2.9Å; D234-T236 PolarHBondContact OD2-OG1 3.03Å
235	Y	98.7	Very high	97.3	Very high	89 Å²	89	38.5 Å²	38.5	35%	0.349	19%	0.186	S	C	.	.	S	Bend	trans	65.3	21.1	179.1	-53.7	-97	0	0	0	113.8	R233 E256 M259	R233-Y235 WeakPolarHBondContact O-CD2 3.49Å; R233-Y235 WeakPolarHBondContact O-CE2 3.48Å; R233-Y235 PolarHBondContact O-N 3.45Å; R233-Y235 VanDerWaalsContact O-N 3.17Å; Y235-E256 PolarHBondContact O-N 3.12Å; Y235-M259 HydrophobicContact CE1-CG 4Å; Y235-M259 HydrophobicContact CE2-CE 4.11Å; Y235-M259 HydrophobicContact CE2-CG 4.33Å; Y235-M259 WeakPolarHBondContact OH-CE 3.33Å
236	T	98.8	Very high	97	Very high	16 Å²	16	37.7 Å²	37.7	10%	0.098	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	142.9	177.7	71.5	0	0	0	0	113.5	H212 S232 D234 K238 Y253 I254	H212-T236 PolarHBondContact CE1-OG1 2.84Å; H212-T236 VanDerWaalsContact CE1-OG1 3.23Å; H212-T236 PolarHBondContact ND1-OG1 3.11Å; S232-T236 PolarHBondContact N-O 2.77Å; S232-T236 VanDerWaalsContact N-O 3.17Å; D234-T236 PolarHBondContact O-N 2.78Å; D234-T236 WeakPolarHBondContact OD1-CB 3.18Å; D234-T236 PolarHBondContact OD1-N 3.09Å; D234-T236 PolarHBondContact OD1-OG1 2.9Å; D234-T236 PolarHBondContact OD2-OG1 3.03Å; T236-K238 VanDerWaalsContact OG1-CE 3.29Å; T236-K238 WeakPolarHBondContact OG1-CE 3.22Å; T236-Y253 HydrophobicContact CG2-CD2 4.25Å; T236-I254 WeakPolarHBondContact CA-O 3.27Å
237	L	98.8	Very high	96.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.7	160.1	-168.8	158.2	0	0	0	107.8	S230 L239 Y253 I254 L260 I263 I272 V274	S230-L237 CarbonylContact O-C 3.57Å; S230-L237 VanDerWaalsContact O-CA 3.29Å; S230-L237 WeakPolarHBondContact O-CA 3.18Å; L237-L239 HydrophobicContact CD2-CD2 3.82Å; L237-L239 HydrophobicContact CD2-CG 4.27Å; L237-Y253 CarbonylContact O-C 3.58Å; L237-Y253 WeakPolarHBondContact O-CA 3.45Å; L237-Y253 WeakPolarHBondContact O-CB 3.23Å; L237-I254 HydrophobicContact CB-CB 4.24Å; L237-I254 PolarHBondContact N-O 3.04Å; L237-I254 PolarHBondContact O-N 3.12Å; L237-L260 HydrophobicContact CB-CD2 3.72Å; L237-L260 HydrophobicContact CD1-CD2 4.08Å; L237-L260 HydrophobicContact CG-CD2 4.13Å; L237-I263 HydrophobicContact CD1-CG2 4.1Å; L237-I272 HydrophobicContact CD1-CD1 4.28Å; L237-I272 HydrophobicContact CD1-CG2 4.24Å; L237-V274 HydrophobicContact CD1-CG1 4.49Å; L237-V274 HydrophobicContact CD1-CG2 3.45Å; L237-V274 VanDerWaalsContact CD1-CG2 3.45Å
238	K	98.8	Very high	96.4	Very high	17 Å²	17	37.2 Å²	37.2	7%	0.074	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	139.6	-177.8	-72	-176.4	-171.5	-83.7	0	111.5	D211 H212 A229 S230 T236 F240 A250	D211-K238 VanDerWaalsContact C-CE 3.5Å; D211-K238 HydrophobicContact CB-CD 3.96Å; D211-K238 WeakPolarHBondContact O-CE 3.25Å; D211-K238 PolarHBondContact O-NZ 3.28Å; D211-K238 WeakPolarHBondContact OD2-CD 3.46Å; D211-K238 IonicContact OD2-NZ 3.95Å; D211-K238 PolarHBondContact OD2-NZ 2.89Å; H212-K238 VanDerWaalsContact CE1-CD 3.44Å; H212-K238 WeakPolarHBondContact CE1-CD 3.22Å; H212-K238 WeakPolarHBondContact ND1-CE 3.31Å; A229-K238 CarbonylContact C-O 3.48Å; A229-K238 WeakPolarHBondContact CA-O 3.3Å; S230-K238 PolarHBondContact N-O 2.94Å; S230-K238 PolarHBondContact O-N 2.89Å; T236-K238 VanDerWaalsContact OG1-CE 3.29Å; T236-K238 WeakPolarHBondContact OG1-CE 3.22Å; K238-F240 HydrophobicContact CB-CD2 4.19Å; K238-F240 HydrophobicContact CB-CE2 3.48Å; K238-F240 VanDerWaalsContact CB-CE2 3.48Å; K238-F240 HydrophobicContact CB-CZ 3.95Å; K238-F240 HydrophobicContact CD-CE2 4.29Å; K238-F240 HydrophobicContact CD-CZ 3.95Å; K238-A250 HydrophobicContact CB-CB 3.76Å; K238-A250 HydrophobicContact CD-CB 4.15Å; K238-A250 HydrophobicContact CG-CB 4.06Å
239	L	98.6	Very high	96.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.5	174.4	-57.7	179.5	0	0	0	109.6	I227 A229 L237 A250 F251 K252 F265 I286 F289	I227-L239 HydrophobicContact CG2-CB 4.31Å; I227-L239 HydrophobicContact CG2-CD2 4.38Å; A229-L239 HydrophobicContact CB-CD2 3.64Å; L237-L239 HydrophobicContact CD2-CD2 3.82Å; L237-L239 HydrophobicContact CD2-CG 4.27Å; L239-A250 CarbonylContact O-C 3.52Å; L239-A250 WeakPolarHBondContact O-CA 3.44Å; L239-A250 VanDerWaalsContact O-CB 3.3Å; L239-A250 WeakPolarHBondContact O-CB 3.39Å; L239-F251 HydrophobicContact CB-CD1 4.33Å; L239-F251 HydrophobicContact CB-CE1 3.59Å; L239-F251 HydrophobicContact CB-CE2 4.44Å; L239-F251 HydrophobicContact CB-CZ 3.64Å; L239-F251 HydrophobicContact CD1-CZ 4.24Å; L239-F251 WeakPolarHBondContact O-CD1 3.5Å; L239-F251 WeakPolarHBondContact O-CE1 3.34Å; L239-F251 PolarHBondContact O-N 2.67Å; L239-K252 HydrophobicContact CD1-CB 4.38Å; L239-K252 PolarHBondContact N-O 2.88Å; L239-F265 HydrophobicContact CD2-CZ 4.35Å; L239-I286 HydrophobicContact CD1-CD1 4.07Å; L239-I286 HydrophobicContact CD1-CG2 3.96Å; L239-I286 HydrophobicContact CD2-CD1 4.21Å; L239-F289 HydrophobicContact CD1-CE1 4.03Å; L239-F289 HydrophobicContact CD1-CZ 4.25Å
240	F	98.5	Very high	96.2	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.009	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122.7	-178.4	-64.5	-92.9	0	0	0	110.2	I172 L209 D211 I227 L228 K238 Y242 A250	I172-F240 HydrophobicContact CD1-CD2 4.38Å; I172-F240 HydrophobicContact CD1-CE2 3.79Å; I172-F240 HydrophobicContact CD1-CZ 4.19Å; L209-F240 HydrophobicContact CB-CD1 3.94Å; L209-F240 HydrophobicContact CB-CE1 3.86Å; L209-F240 HydrophobicContact CB-CZ 4.4Å; L209-F240 HydrophobicContact CD1-CB 3.77Å; L209-F240 HydrophobicContact CD1-CD1 3.9Å; L209-F240 HydrophobicContact CD1-CD2 4.16Å; L209-F240 HydrophobicContact CD1-CE1 4.49Å; L209-F240 HydrophobicContact CD1-CG 3.7Å; L209-F240 HydrophobicContact CD2-CD1 4.18Å; L209-F240 HydrophobicContact CG-CD1 4.22Å; D211-F240 HydrophobicContact CB-CE1 3.8Å; D211-F240 HydrophobicContact CB-CZ 3.88Å; I227-F240 CarbonylContact C-O 3.46Å; I227-F240 VanDerWaalsContact CA-O 3.25Å; I227-F240 WeakPolarHBondContact CA-O 3.11Å; L228-F240 HydrophobicContact CB-CB 4.49Å; L228-F240 PolarHBondContact N-O 3.38Å; L228-F240 PolarHBondContact O-N 3Å; K238-F240 HydrophobicContact CB-CD2 4.19Å; K238-F240 HydrophobicContact CB-CE2 3.48Å; K238-F240 VanDerWaalsContact CB-CE2 3.48Å; K238-F240 HydrophobicContact CB-CZ 3.95Å; K238-F240 HydrophobicContact CD-CE2 4.29Å; K238-F240 HydrophobicContact CD-CZ 3.95Å; F240-Y242 PolarHBondContact O-N 2.87Å; F240-A250 HydrophobicContact CD1-CB 4.11Å; F240-A250 HydrophobicContact CE1-CB 3.95Å; F240-A250 HydrophobicContact CE2-CB 4.38Å; F240-A250 HydrophobicContact CG-CB 4.41Å; F240-A250 HydrophobicContact CZ-CB 4.09Å
241	D	97.6	Very high	96.1	Very high	59 Å²	59	51.5 Å²	51.5	32%	0.316	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	113.5	165.2	171.9	6.8	0	0	0	107.9	Q226 S243 A247 F251	Q226-D241 WeakPolarHBondContact O-CA 3.31Å; D241-S243 VanDerWaalsContact CG-OG 3.32Å; D241-S243 WeakPolarHBondContact OD1-CB 3.3Å; D241-S243 PolarHBondContact OD1-N 3.36Å; D241-S243 PolarHBondContact OD1-OG 2.97Å; D241-S243 PolarHBondContact OD2-OG 2.92Å; D241-A247 WeakPolarHBondContact O-CB 3.42Å; D241-F251 HydrophobicContact CB-CD1 3.96Å; D241-F251 HydrophobicContact CB-CE1 4.27Å
242	Y	96.8	Very high	96	Very high	17 Å²	17	56.5 Å²	56.5	7%	0.067	28%	0.276	C	S	.	.			trans	-101.8	8.4	-178.4	63.4	-101.5	0	0	0	113.7	L162 I174 R207 F221 Q226 I227 L228 F240 K244	L162-Y242 HydrophobicContact CD1-CE2 3.9Å; I174-Y242 HydrophobicContact CD1-CD1 3.78Å; I174-Y242 HydrophobicContact CD1-CD2 4.22Å; I174-Y242 HydrophobicContact CD1-CE1 4.49Å; I174-Y242 HydrophobicContact CD1-CG 3.62Å; R207-Y242 PolarHBondContact NE-O 3.36Å; R207-Y242 PolarHBondContact NH2-O 2.87Å; F221-Y242 AromaticContact CD1-CE1 3.69Å; F221-Y242 HydrophobicContact CD1-CE1 3.69Å; F221-Y242 AromaticContact CD1-CZ 3.8Å; F221-Y242 WeakPolarHBondContact CD1-OH 3.42Å; F221-Y242 AromaticContact CE1-CE1 3.77Å; F221-Y242 HydrophobicContact CE1-CE1 3.77Å; F221-Y242 AromaticContact CE1-CZ 3.82Å; Q226-Y242 VanDerWaalsContact C-CD1 3.45Å; Q226-Y242 VanDerWaalsContact CA-CZ 3.42Å; Q226-Y242 HydrophobicContact CB-CD2 3.92Å; Q226-Y242 HydrophobicContact CB-CE1 4.29Å; Q226-Y242 HydrophobicContact CB-CE2 3.61Å; Q226-Y242 HydrophobicContact CB-CG 4.36Å; Q226-Y242 HydrophobicContact CG-CD2 4.34Å; Q226-Y242 HydrophobicContact CG-CE2 3.75Å; Q226-Y242 WeakPolarHBondContact O-CD1 3.23Å; Q226-Y242 WeakPolarHBondContact O-CE1 3.12Å; Q226-Y242 PolarHBondContact O-N 3.39Å; I227-Y242 VanDerWaalsContact N-CE1 3.31Å; L228-Y242 HydrophobicContact CB-CD1 3.97Å; L228-Y242 HydrophobicContact CB-CE1 4.19Å; F240-Y242 PolarHBondContact O-N 2.87Å; Y242-K244 PolarHBondContact O-N 2.9Å
243	S	95.9	Very high	96	Very high	42 Å²	42	62.9 Å²	62.9	29%	0.294	30%	0.301	S	S	.	.	S	Bend	trans	-57.4	-39	175.5	64.2	0	0	0	0	111.8	R207 D241	R207-S243 PolarHBondContact NH2-O 2.9Å; D241-S243 VanDerWaalsContact CG-OG 3.32Å; D241-S243 WeakPolarHBondContact OD1-CB 3.3Å; D241-S243 PolarHBondContact OD1-N 3.36Å; D241-S243 PolarHBondContact OD1-OG 2.97Å; D241-S243 PolarHBondContact OD2-OG 2.92Å
244	K	90.4	Very high	96	Very high	130 Å²	130	59.1 Å²	59.1	57%	0.565	29%	0.287	S	S	*	.	S	Bend	trans	-91.7	126.5	179.8	-63.5	175.8	-172.6	170.6	0	111.4	R207 Y242 S246 A247	R207-K244 PolarHBondContact NE-O 3.48Å; Y242-K244 PolarHBondContact O-N 2.9Å; K244-S246 PolarHBondContact O-N 3Å; K244-S246 VanDerWaalsContact O-N 3.14Å; K244-A247 HydrophobicContact CB-CB 4.49Å; K244-A247 VanDerWaalsContact O-CB 3.26Å; K244-A247 WeakPolarHBondContact O-CB 3.47Å; K244-A247 PolarHBondContact O-N 2.64Å
245	P	88.1	Confident	96	Very high	90 Å²	90	65 Å²	65	58%	0.584	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.2	175.7	-25.9	33.9	0	0	0	115	R207 A247	R207-P245 VanDerWaalsContact CZ-CA 3.48Å; P245-A247 VanDerWaalsContact C-N 3.32Å
246	S	88.5	Confident	96	Very high	97 Å²	97	61.5 Å²	61.5	68%	0.678	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-5.7	179	56.5	0	0	0	0	114.1	K244 K248	K244-S246 PolarHBondContact O-N 3Å; K244-S246 VanDerWaalsContact O-N 3.14Å; S246-K248 PolarHBondContact O-N 3.47Å; S246-K248 VanDerWaalsContact O-N 3.17Å
247	A	91	Very high	95.9	Very high	20 Å²	20	64.5 Å²	64.5	17%	0.165	33%	0.328	C	S	.	.			trans	-63.1	118.3	179.1	0	0	0	0	0	110.5	L209 D241 K244 P245	L209-A247 WeakPolarHBondContact CD2-O 3.26Å; D241-A247 WeakPolarHBondContact O-CB 3.42Å; K244-A247 HydrophobicContact CB-CB 4.49Å; K244-A247 VanDerWaalsContact O-CB 3.26Å; K244-A247 WeakPolarHBondContact O-CB 3.47Å; K244-A247 PolarHBondContact O-N 2.64Å; P245-A247 VanDerWaalsContact C-N 3.32Å
248	K	92.2	Very high	95.9	Very high	84 Å²	84	67.5 Å²	67.5	37%	0.365	34%	0.342	S	S	.	.			trans	-114.7	-31.3	176.7	-63.5	-52	-175.8	-166.5	0	113.3	T208 Y210 S246	T208-K248 WeakPolarHBondContact O-CD 3.19Å; T208-K248 PolarHBondContact O-NZ 3.28Å; T208-K248 PolarHBondContact OG1-NZ 2.75Å; Y210-K248 CarbonylContact C-O 3.56Å; Y210-K248 HydrophobicContact CD2-CD 4.28Å; Y210-K248 PolarHBondContact N-O 2.99Å; S246-K248 PolarHBondContact O-N 3.47Å; S246-K248 VanDerWaalsContact O-N 3.17Å
249	R	96.3	Very high	95.9	Very high	180 Å²	180	68 Å²	68	68%	0.679	34%	0.344	S	S	*	.	S	Bend	trans	-114.8	155.6	-170.9	-57.2	-170.6	69.9	-169	-1.5	111.4	D211	D211-R249 HydrophobicContact CB-CB 4.4Å; D211-R249 IonicContact OD1-CZ 3.01Å; D211-R249 IonicContact OD1-NE 2.8Å; D211-R249 PolarHBondContact OD1-NE 2.74Å; D211-R249 IonicContact OD1-NH2 2.76Å; D211-R249 PolarHBondContact OD1-NH2 2.95Å
250	A	97.4	Very high	95.9	Very high	20 Å²	20	67.9 Å²	67.9	17%	0.165	34%	0.344	C	S	.	.			trans	-68.6	144.6	175.7	0	0	0	0	0	110.2	D211 K238 L239 F240	D211-A250 WeakPolarHBondContact OD2-CB 3.38Å; D211-A250 PolarHBondContact OD2-N 2.68Å; K238-A250 HydrophobicContact CB-CB 3.76Å; K238-A250 HydrophobicContact CD-CB 4.15Å; K238-A250 HydrophobicContact CG-CB 4.06Å; L239-A250 CarbonylContact O-C 3.52Å; L239-A250 WeakPolarHBondContact O-CA 3.44Å; L239-A250 VanDerWaalsContact O-CB 3.3Å; L239-A250 WeakPolarHBondContact O-CB 3.39Å; F240-A250 HydrophobicContact CD1-CB 4.11Å; F240-A250 HydrophobicContact CE1-CB 3.95Å; F240-A250 HydrophobicContact CE2-CB 4.38Å; F240-A250 HydrophobicContact CG-CB 4.41Å; F240-A250 HydrophobicContact CZ-CB 4.09Å
251	F	97.1	Very high	95.9	Very high	99 Å²	99	70 Å²	70	43%	0.434	35%	0.352	S	S	.	.	S	Bend	trans	-87.3	-20.3	174.5	69.5	-87.1	0	0	0	111.9	I227 L239 D241	I227-F251 HydrophobicContact CD1-CE1 4.25Å; I227-F251 HydrophobicContact CD1-CZ 3.91Å; I227-F251 HydrophobicContact CG1-CE1 4.19Å; I227-F251 HydrophobicContact CG1-CZ 4.35Å; I227-F251 HydrophobicContact CG2-CE1 4.31Å; L239-F251 HydrophobicContact CB-CD1 4.33Å; L239-F251 HydrophobicContact CB-CE1 3.59Å; L239-F251 HydrophobicContact CB-CE2 4.44Å; L239-F251 HydrophobicContact CB-CZ 3.64Å; L239-F251 HydrophobicContact CD1-CZ 4.24Å; L239-F251 WeakPolarHBondContact O-CD1 3.5Å; L239-F251 WeakPolarHBondContact O-CE1 3.34Å; L239-F251 PolarHBondContact O-N 2.67Å; D241-F251 HydrophobicContact CB-CD1 3.96Å; D241-F251 HydrophobicContact CB-CE1 4.27Å
252	K	97.5	Very high	96	Very high	106 Å²	106	67.9 Å²	67.9	46%	0.461	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	155.5	173.1	-74.3	-60.8	-166.3	-71.3	0	110.7	L239 F289	L239-K252 HydrophobicContact CD1-CB 4.38Å; L239-K252 PolarHBondContact N-O 2.88Å; K252-F289 HydrophobicContact CB-CE2 3.99Å; K252-F289 HydrophobicContact CB-CZ 3.57Å; K252-F289 HydrophobicContact CD-CE2 3.76Å; K252-F289 HydrophobicContact CD-CZ 4.16Å; K252-F289 HydrophobicContact CG-CE2 3.88Å; K252-F289 HydrophobicContact CG-CZ 3.72Å
253	Y	98.3	Very high	96.1	Very high	133 Å²	133	67.6 Å²	67.6	52%	0.522	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	156.6	171	75	-81	0	0	0	111	T236 L237 Q255	T236-Y253 HydrophobicContact CG2-CD2 4.25Å; L237-Y253 CarbonylContact O-C 3.58Å; L237-Y253 WeakPolarHBondContact O-CA 3.45Å; L237-Y253 WeakPolarHBondContact O-CB 3.23Å; Y253-Q255 HydrophobicContact CE2-CB 4.36Å
254	I	98.6	Very high	96.2	Very high	15 Å²	15	66.2 Å²	66.2	8%	0.077	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.3	171.6	-56.4	172	0	0	0	106.6	T236 L237 Y284 F289	T236-I254 WeakPolarHBondContact CA-O 3.27Å; L237-I254 HydrophobicContact CB-CB 4.24Å; L237-I254 PolarHBondContact N-O 3.04Å; L237-I254 PolarHBondContact O-N 3.12Å; I254-Y284 HydrophobicContact CD1-CD1 3.73Å; I254-Y284 HydrophobicContact CD1-CD2 4.43Å; I254-Y284 HydrophobicContact CD1-CE1 4.17Å; I254-Y284 HydrophobicContact CD1-CG 3.85Å; I254-Y284 HydrophobicContact CG2-CD1 4.36Å; I254-Y284 HydrophobicContact CG2-CE1 3.72Å; I254-F289 HydrophobicContact CD1-CD1 3.62Å; I254-F289 HydrophobicContact CD1-CE1 4.19Å; I254-F289 HydrophobicContact CD1-CG 4.28Å; I254-F289 HydrophobicContact CG1-CB 4.42Å; I254-F289 HydrophobicContact CG1-CD1 3.75Å; I254-F289 HydrophobicContact CG1-CE1 4.2Å; I254-F289 HydrophobicContact CG1-CG 4.07Å
255	Q	98.4	Very high	96.6	Very high	145 Å²	145	60.3 Å²	60.3	68%	0.678	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	123	170.8	-172.5	169.3	9.7	0	0	108.9	Y253	Y253-Q255 HydrophobicContact CE2-CB 4.36Å
256	E	98.4	Very high	97.1	Very high	17 Å²	17	57.9 Å²	57.9	8%	0.079	29%	0.287	C	S	.	.			trans	-99.8	162.2	178.2	-99.3	-75	-169.8	0	0	111.1	Y235 L260 R282 Y284	Y235-E256 PolarHBondContact O-N 3.12Å; E256-L260 HydrophobicContact CB-CD1 3.85Å; E256-L260 HydrophobicContact CG-CD1 4.14Å; E256-R282 IonicContact OE1-NE 3.84Å; E256-R282 PolarHBondContact OE1-NE 3.34Å; E256-R282 IonicContact OE2-NE 3.48Å; E256-R282 IonicContact OE2-NH2 3.99Å; E256-Y284 WeakPolarHBondContact OE1-CE2 3.49Å; E256-Y284 PolarHBondContact OE1-OH 3.2Å
257	A	97.6	Very high	97.4	Very high	79 Å²	79	54.6 Å²	54.6	65%	0.653	26%	0.263	S	S	*	.	S	Bend	trans	-81.9	-21.4	176.3	0	0	0	0	0	112.4
258	E	98.5	Very high	97.6	Very high	64 Å²	64	56 Å²	56	30%	0.299	27%	0.272	S	S	.	.	S	Bend	trans	-133	159.8	-175.3	-77.6	-61	173	0	0	112.6	L260 T276 Q277 H278	E258-L260 PolarHBondContact O-N 3.16Å; E258-T276 WeakPolarHBondContact CB-OG1 3.34Å; E258-Q277 HydrophobicContact CB-CB 4.22Å; E258-Q277 HydrophobicContact CG-CB 4.39Å; E258-Q277 PolarHBondContact OE2-OE1 3.15Å; E258-H278 HydrophobicContact CB-CB 4.45Å; E258-H278 HydrophobicContact CG-CB 3.77Å
259	M	98.6	Very high	97.9	Very high	26 Å²	26	52 Å²	52	13%	0.128	26%	0.255	C	S	.	.			trans	-61.7	132.2	175.5	-57.2	-179.5	172	0	0	110.3	R233 Y235 T276 Q277	R233-M259 HydrophobicContact CB-CE 4.44Å; R233-M259 HydrophobicContact CB-CG 4.29Å; R233-M259 HydrophobicContact CB-SD 3.98Å; R233-M259 HydrophobicContact CG-SD 4.15Å; R233-M259 PolarHBondContact NE-SD 3.08Å; R233-M259 PolarHBondContact NH2-SD 2.82Å; R233-M259 VanDerWaalsContact NH2-SD 3.38Å; R233-M259 WeakPolarHBondContact O-CG 3.43Å; Y235-M259 HydrophobicContact CE1-CG 4Å; Y235-M259 HydrophobicContact CE2-CE 4.11Å; Y235-M259 HydrophobicContact CE2-CG 4.33Å; Y235-M259 WeakPolarHBondContact OH-CE 3.33Å; M259-T276 CarbonylContact O-C 3.43Å; M259-T276 VanDerWaalsContact O-CA 3.29Å; M259-T276 WeakPolarHBondContact O-CA 3.43Å; M259-T276 VanDerWaalsContact O-CB 3.32Å; M259-T276 WeakPolarHBondContact O-CB 3.39Å; M259-Q277 HydrophobicContact CB-CG 4.08Å; M259-Q277 VanDerWaalsContact CB-OE1 3.23Å; M259-Q277 PolarHBondContact O-N 3.02Å; M259-Q277 PolarHBondContact SD-OE1 3.16Å; M259-Q277 VanDerWaalsContact SD-OE1 3.41Å
260	L	98.8	Very high	97.9	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	151.7	177.9	-73.6	78.3	0	0	0	110.2	T217 S232 L237 E256 E258 I263 V274 T276	T217-L260 PolarHBondContact OG1-O 3.22Å; S232-L260 PolarHBondContact O-N 3.27Å; L237-L260 HydrophobicContact CB-CD2 3.72Å; L237-L260 HydrophobicContact CD1-CD2 4.08Å; L237-L260 HydrophobicContact CG-CD2 4.13Å; E256-L260 HydrophobicContact CB-CD1 3.85Å; E256-L260 HydrophobicContact CG-CD1 4.14Å; E258-L260 PolarHBondContact O-N 3.16Å; L260-I263 HydrophobicContact CD2-CG2 4.23Å; L260-V274 HydrophobicContact CD2-CG1 3.79Å; L260-V274 HydrophobicContact CG-CG1 4.06Å; L260-T276 HydrophobicContact CG-CG2 4.37Å
261	R	98.6	Very high	98	Very high	45 Å²	45	48.8 Å²	48.8	17%	0.17	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	-34.2	-177.7	-66.2	-172.8	59	72.7	-0.3	113.5	G275 Q277 I305 C306	R261-G275 PolarHBondContact N-O 3.43Å; R261-Q277 HydrophobicContact CG-CG 4.44Å; R261-I305 WeakPolarHBondContact CB-O 3.26Å; R261-I305 WeakPolarHBondContact CD-O 3.43Å; R261-I305 PolarHBondContact NE-O 3.21Å; R261-I305 VanDerWaalsContact NE-O 3.08Å; R261-C306 PolarHBondContact NH2-SG 2.98Å
262	S	98.6	Very high	98	Very high	16 Å²	16	44.1 Å²	44.1	11%	0.112	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	144.3	177.3	-166	0	0	0	0	109.8	G275 S307 V308	S262-G275 PolarHBondContact N-O 3.43Å; S262-G275 VanDerWaalsContact N-O 3.16Å; S262-G275 PolarHBondContact O-N 3.44Å; S262-S307 WeakPolarHBondContact OG-CA 3.14Å; S262-V308 PolarHBondContact OG-N 2.88Å
263	I	98.8	Very high	98.1	Very high	10 Å²	10	39.1 Å²	39.1	5%	0.051	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	150.4	173.1	55.3	174.8	0	0	0	109.4	C218 A220 A229 L237 L260 I272 L273 V274	C218-I263 HydrophobicContact CB-CG1 3.97Å; A220-I263 HydrophobicContact CB-CD1 4.06Å; A220-I263 HydrophobicContact CB-CG1 4.05Å; A229-I263 HydrophobicContact CB-CD1 3.83Å; L237-I263 HydrophobicContact CD1-CG2 4.1Å; L260-I263 HydrophobicContact CD2-CG2 4.23Å; I263-I272 HydrophobicContact CB-CD1 4.11Å; I263-I272 HydrophobicContact CB-CG1 4.26Å; I263-I272 HydrophobicContact CD1-CD1 4.2Å; I263-L273 CarbonylContact C-O 3.59Å; I263-L273 WeakPolarHBondContact CA-O 3.41Å; I263-V274 HydrophobicContact CG2-CB 4.42Å; I263-V274 HydrophobicContact CG2-CG1 4.19Å; I263-V274 HydrophobicContact CG2-CG2 4.1Å
264	S	98.7	Very high	98.1	Very high	14 Å²	14	32.8 Å²	32.8	10%	0.098	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	118.4	176	-162.7	0	0	0	0	110.2	L273 V308 Y310	S264-L273 PolarHBondContact N-O 2.9Å; S264-L273 PolarHBondContact O-N 2.86Å; S264-V308 WeakPolarHBondContact CB-O 3.44Å; S264-Y310 PolarHBondContact OG-N 2.87Å; S264-Y310 VanDerWaalsContact OG-N 3.15Å
265	F	98.3	Very high	98.1	Very high	6 Å²	6	32 Å²	32	3%	0.026	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	132.7	173.4	-95.1	-67.4	0	0	0	110.5	A220 F221 H222 A229 L239 I272 I286	A220-F265 HydrophobicContact CB-CD2 3.64Å; A220-F265 HydrophobicContact CB-CE2 4.29Å; A220-F265 WeakPolarHBondContact O-CE2 3.37Å; F221-F265 VanDerWaalsContact O-CD2 3.26Å; F221-F265 WeakPolarHBondContact O-CD2 3.25Å; H222-F265 HydrophobicContact CB-CE2 4.09Å; H222-F265 HydrophobicContact CB-CZ 4.12Å; H222-F265 AromaticContact CD2-CE1 3.69Å; H222-F265 AromaticContact CD2-CZ 3.92Å; A229-F265 HydrophobicContact CB-CD2 4.26Å; A229-F265 HydrophobicContact CB-CE2 3.33Å; A229-F265 HydrophobicContact CB-CZ 3.68Å; L239-F265 HydrophobicContact CD2-CZ 4.35Å; F265-I272 HydrophobicContact CD1-CB 4.33Å; F265-I272 HydrophobicContact CD1-CD1 4.29Å; F265-I272 HydrophobicContact CD1-CG1 4.48Å; F265-I272 HydrophobicContact CD2-CD1 4.22Å; F265-I272 HydrophobicContact CE1-CB 4.44Å; F265-I272 HydrophobicContact CE1-CD1 4.18Å; F265-I272 HydrophobicContact CE2-CD1 4.11Å; F265-I272 HydrophobicContact CG-CD1 4.31Å; F265-I272 HydrophobicContact CZ-CD1 4.08Å; F265-I286 HydrophobicContact CE1-CD1 4.02Å; F265-I286 HydrophobicContact CE1-CG1 4.01Å; F265-I286 HydrophobicContact CZ-CD1 4.49Å
266	H	98.3	Very high	98.1	Very high	39 Å²	39	25.1 Å²	25.1	18%	0.181	14%	0.142	C	C	.	.			trans	-60	140	164.2	-177.4	-99.3	0	0	0	109.2	S268 G269 F271 Y310 A314	H266-S268 VanDerWaalsContact ND1-CB 3.3Å; H266-S268 WeakPolarHBondContact ND1-CB 3.33Å; H266-S268 PolarHBondContact ND1-N 2.73Å; H266-S268 PolarHBondContact ND1-OG 2.79Å; H266-S268 PolarHBondContact O-N 2.98Å; H266-G269 PolarHBondContact O-N 3.14Å; H266-F271 HydrophobicContact CB-CB 3.79Å; H266-F271 VanDerWaalsContact CB-O 3.31Å; H266-F271 WeakPolarHBondContact CB-O 3.35Å; H266-F271 PolarHBondContact N-O 2.92Å; H266-Y310 HydrophobicContact CB-CD2 4.49Å; H266-Y310 HydrophobicContact CB-CE2 3.92Å; H266-Y310 AromaticContact CD2-CE1 3.78Å; H266-Y310 AromaticContact CD2-CZ 3.75Å; H266-A314 VanDerWaalsContact NE2-CB 3.27Å; H266-A314 WeakPolarHBondContact NE2-CB 3.29Å
267	P	95.1	Very high	98.1	Very high	28 Å²	28	27.7 Å²	27.7	18%	0.182	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-23.7	176.8	-32.8	38.6	0	0	0	117.3	R158 P223 A314	R158-P267 VanDerWaalsContact NH2-CA 3.35Å; P223-P267 WeakPolarHBondContact CG-O 3.4Å; P267-A314 HydrophobicContact CB-CB 4.2Å; P267-A314 VanDerWaalsContact CD-CB 3.5Å; P267-A314 HydrophobicContact CG-CB 3.58Å
268	S	96.4	Very high	98.2	Very high	50 Å²	50	27.7 Å²	27.7	35%	0.35	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-27.1	172.7	77.1	0	0	0	0	113.7	H266 D270	H266-S268 VanDerWaalsContact ND1-CB 3.3Å; H266-S268 WeakPolarHBondContact ND1-CB 3.33Å; H266-S268 PolarHBondContact ND1-N 2.73Å; H266-S268 PolarHBondContact ND1-OG 2.79Å; H266-S268 PolarHBondContact O-N 2.98Å; S268-D270 VanDerWaalsContact CB-OD2 3.27Å; S268-D270 WeakPolarHBondContact CB-OD2 3.3Å; S268-D270 PolarHBondContact OG-N 3.03Å; S268-D270 PolarHBondContact OG-OD2 2.94Å
269	G	96.8	Very high	98.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	94.5	-19.4	-173.6	0	0	0	0	0	114.7	H222 H266 F271	H222-G269 WeakPolarHBondContact NE2-CA 3.12Å; H222-G269 PolarHBondContact NE2-O 3.23Å; H266-G269 PolarHBondContact O-N 3.14Å; G269-F271 VanDerWaalsContact C-N 3.33Å; G269-F271 PolarHBondContact O-N 3.21Å
270	D	97.4	Very high	98.2	Very high	67 Å²	67	26.6 Å²	26.6	36%	0.358	14%	0.14	S	C	.	.	S	Bend	trans	-76.4	-19.3	-174.3	-52.1	-66.3	0	0	0	114.2	S268 I286 N287	S268-D270 VanDerWaalsContact CB-OD2 3.27Å; S268-D270 WeakPolarHBondContact CB-OD2 3.3Å; S268-D270 PolarHBondContact OG-N 3.03Å; S268-D270 PolarHBondContact OG-OD2 2.94Å; D270-I286 WeakPolarHBondContact O-CB 3.47Å; D270-I286 PolarHBondContact O-N 2.87Å; D270-N287 PolarHBondContact OD1-ND2 3.07Å
271	F	98.4	Very high	98.2	Very high	65 Å²	65	26.9 Å²	26.9	29%	0.285	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.7	-177.1	-59.3	-83.9	0	0	0	112	H266 G269 L283 Y284 D285	H266-F271 HydrophobicContact CB-CB 3.79Å; H266-F271 VanDerWaalsContact CB-O 3.31Å; H266-F271 WeakPolarHBondContact CB-O 3.35Å; H266-F271 PolarHBondContact N-O 2.92Å; G269-F271 VanDerWaalsContact C-N 3.33Å; G269-F271 PolarHBondContact O-N 3.21Å; F271-L283 HydrophobicContact CB-CD1 4.18Å; F271-L283 HydrophobicContact CD1-CD2 3.93Å; F271-L283 HydrophobicContact CD1-CG 4.25Å; F271-L283 HydrophobicContact CE1-CD2 4.38Å; F271-Y284 CarbonylContact C-O 3.26Å; F271-Y284 VanDerWaalsContact CA-O 3.23Å; F271-Y284 WeakPolarHBondContact CA-O 3.47Å; F271-D285 HydrophobicContact CD1-CB 4.07Å; F271-D285 HydrophobicContact CE1-CB 3.85Å
272	I	98.7	Very high	98.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	129	172.4	-165.4	159.9	0	0	0	110.4	A229 L237 I263 F265 V274 Y284 I286	A229-I272 HydrophobicContact CB-CD1 3.57Å; L237-I272 HydrophobicContact CD1-CD1 4.28Å; L237-I272 HydrophobicContact CD1-CG2 4.24Å; I263-I272 HydrophobicContact CB-CD1 4.11Å; I263-I272 HydrophobicContact CB-CG1 4.26Å; I263-I272 HydrophobicContact CD1-CD1 4.2Å; F265-I272 HydrophobicContact CD1-CB 4.33Å; F265-I272 HydrophobicContact CD1-CD1 4.29Å; F265-I272 HydrophobicContact CD1-CG1 4.48Å; F265-I272 HydrophobicContact CD2-CD1 4.22Å; F265-I272 HydrophobicContact CE1-CB 4.44Å; F265-I272 HydrophobicContact CE1-CD1 4.18Å; F265-I272 HydrophobicContact CE2-CD1 4.11Å; F265-I272 HydrophobicContact CG-CD1 4.31Å; F265-I272 HydrophobicContact CZ-CD1 4.08Å; I272-V274 HydrophobicContact CG2-CG2 4.13Å; I272-Y284 PolarHBondContact N-O 2.82Å; I272-Y284 PolarHBondContact O-N 3.22Å; I272-I286 HydrophobicContact CB-CD1 3.97Å; I272-I286 HydrophobicContact CB-CG1 4.38Å; I272-I286 HydrophobicContact CG2-CD1 3.53Å; I272-I286 HydrophobicContact CG2-CG1 4.23Å
273	L	98.9	Very high	98.2	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	138.3	167.5	-70	171.5	0	0	0	109.5	I263 S264 L281 R282 L283 V308 Y310 Y317	I263-L273 CarbonylContact C-O 3.59Å; I263-L273 WeakPolarHBondContact CA-O 3.41Å; S264-L273 PolarHBondContact N-O 2.9Å; S264-L273 PolarHBondContact O-N 2.86Å; L273-L281 HydrophobicContact CD1-CD2 4.49Å; L273-L281 HydrophobicContact CD2-CD2 3.87Å; L273-L281 HydrophobicContact CD2-CG 4.22Å; L273-R282 CarbonylContact C-O 3.51Å; L273-R282 WeakPolarHBondContact CA-O 3.23Å; L273-L283 HydrophobicContact CD2-CB 4.06Å; L273-L283 HydrophobicContact CD2-CD1 3.59Å; L273-L283 HydrophobicContact CD2-CG 4.44Å; L273-L283 HydrophobicContact CG-CD1 4.2Å; L273-V308 HydrophobicContact CB-CG1 3.66Å; L273-V308 HydrophobicContact CD1-CG1 3.7Å; L273-V308 HydrophobicContact CG-CG1 4.32Å; L273-Y310 HydrophobicContact CB-CE2 4.32Å; L273-Y310 HydrophobicContact CD1-CD2 3.84Å; L273-Y310 HydrophobicContact CD1-CE1 4.1Å; L273-Y310 HydrophobicContact CD1-CE2 3.28Å; L273-Y310 HydrophobicContact CD1-CG 4.44Å; L273-Y310 VanDerWaalsContact CD1-CZ 3.42Å; L273-Y310 HydrophobicContact CG-CD2 4.38Å; L273-Y310 HydrophobicContact CG-CE2 3.48Å; L273-Y310 VanDerWaalsContact CG-CE2 3.48Å; L273-Y317 HydrophobicContact CD1-CD1 3.9Å; L273-Y317 HydrophobicContact CD1-CD2 3.56Å; L273-Y317 HydrophobicContact CD1-CE1 4.36Å; L273-Y317 HydrophobicContact CD1-CE2 4.05Å; L273-Y317 HydrophobicContact CD1-CG 3.47Å; L273-Y317 VanDerWaalsContact CD1-CG 3.47Å; L273-Y317 HydrophobicContact CD2-CE2 4.41Å
274	V	98.9	Very high	98.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	115.4	-177.2	-175.4	0	0	0	0	109.7	L237 L260 I263 I272 T276 R282 Y284	L237-V274 HydrophobicContact CD1-CG1 4.49Å; L237-V274 HydrophobicContact CD1-CG2 3.45Å; L237-V274 VanDerWaalsContact CD1-CG2 3.45Å; L260-V274 HydrophobicContact CD2-CG1 3.79Å; L260-V274 HydrophobicContact CG-CG1 4.06Å; I263-V274 HydrophobicContact CG2-CB 4.42Å; I263-V274 HydrophobicContact CG2-CG1 4.19Å; I263-V274 HydrophobicContact CG2-CG2 4.1Å; I272-V274 HydrophobicContact CG2-CG2 4.13Å; V274-T276 HydrophobicContact CG1-CG2 3.89Å; V274-R282 HydrophobicContact CB-CB 4.28Å; V274-R282 PolarHBondContact N-O 3.41Å; V274-R282 PolarHBondContact O-N 3.19Å; V274-R282 VanDerWaalsContact O-N 3.07Å; V274-Y284 HydrophobicContact CB-CD2 4.31Å; V274-Y284 HydrophobicContact CB-CE2 4.41Å; V274-Y284 HydrophobicContact CG2-CD2 3.69Å; V274-Y284 HydrophobicContact CG2-CE2 4.17Å
275	G	98.7	Very high	98.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.2	169.8	0	0	0	0	0	110.7	R261 S262	R261-G275 PolarHBondContact N-O 3.43Å; S262-G275 PolarHBondContact N-O 3.43Å; S262-G275 VanDerWaalsContact N-O 3.16Å; S262-G275 PolarHBondContact O-N 3.44Å
276	T	98.8	Very high	98.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	-172	-177.6	78	0	0	0	0	111.4	E258 M259 L260 V274 H278 R282 I305	E258-T276 WeakPolarHBondContact CB-OG1 3.34Å; M259-T276 CarbonylContact O-C 3.43Å; M259-T276 VanDerWaalsContact O-CA 3.29Å; M259-T276 WeakPolarHBondContact O-CA 3.43Å; M259-T276 VanDerWaalsContact O-CB 3.32Å; M259-T276 WeakPolarHBondContact O-CB 3.39Å; L260-T276 HydrophobicContact CG-CG2 4.37Å; V274-T276 HydrophobicContact CG1-CG2 3.89Å; T276-H278 PolarHBondContact O-N 3.2Å; T276-H278 PolarHBondContact OG1-N 3.29Å; T276-H278 VanDerWaalsContact OG1-N 3.12Å; T276-R282 VanDerWaalsContact OG1-CZ 3.3Å; T276-R282 PolarHBondContact OG1-NH1 3.06Å; T276-R282 PolarHBondContact OG1-NH2 3.06Å; T276-I305 PolarHBondContact O-N 3.38Å; T276-I305 VanDerWaalsContact O-N 3.14Å
277	Q	98.4	Very high	97.9	Very high	70 Å²	70	31 Å²	31	33%	0.327	16%	0.163	S	C	.	.	S	Bend	trans	-64.4	-23.6	169.6	-70	-179.5	-61.1	0	0	113.5	E258 M259 R261 A304	E258-Q277 HydrophobicContact CB-CB 4.22Å; E258-Q277 HydrophobicContact CG-CB 4.39Å; E258-Q277 PolarHBondContact OE2-OE1 3.15Å; M259-Q277 HydrophobicContact CB-CG 4.08Å; M259-Q277 VanDerWaalsContact CB-OE1 3.23Å; M259-Q277 PolarHBondContact O-N 3.02Å; M259-Q277 PolarHBondContact SD-OE1 3.16Å; M259-Q277 VanDerWaalsContact SD-OE1 3.41Å; R261-Q277 HydrophobicContact CG-CG 4.44Å; Q277-A304 WeakPolarHBondContact O-CA 3.26Å; Q277-A304 WeakPolarHBondContact O-CB 3.34Å
278	H	98.5	Very high	98	Very high	80 Å²	80	33.1 Å²	33.1	37%	0.37	18%	0.176	S	C	.	.	S	Bend	trans	-79.9	146	173.2	-176.5	-98.9	0	0	0	110.5	E258 T276 T280 R282	E258-H278 HydrophobicContact CB-CB 4.45Å; E258-H278 HydrophobicContact CG-CB 3.77Å; T276-H278 PolarHBondContact O-N 3.2Å; T276-H278 PolarHBondContact OG1-N 3.29Å; T276-H278 VanDerWaalsContact OG1-N 3.12Å; H278-T280 VanDerWaalsContact C-N 3.27Å; H278-T280 WeakPolarHBondContact CE1-CG2 3.2Å; H278-T280 PolarHBondContact CE1-OG1 3.38Å; H278-T280 VanDerWaalsContact CE1-OG1 3.27Å; H278-T280 PolarHBondContact ND1-N 3.14Å; H278-T280 PolarHBondContact ND1-OG1 3.45Å; H278-T280 PolarHBondContact O-N 3.27Å; H278-R282 PolarHBondContact O-NH1 3.08Å
279	P	98.4	Very high	98.1	Very high	30 Å²	30	33.7 Å²	33.7	20%	0.195	17%	0.172	C	C	.	.	S	Bend	trans	-71.2	-15.8	-170.8	-20.4	34.2	0	0	0	115.8	H301 D303	P279-H301 HydrophobicContact CB-CB 4.3Å; P279-H301 WeakPolarHBondContact CB-O 3.19Å; P279-H301 WeakPolarHBondContact O-CB 3.17Å; P279-H301 PolarHBondContact O-N 3.46Å; P279-D303 WeakPolarHBondContact CA-O 3.14Å
280	T	98.6	Very high	98.2	Very high	37 Å²	37	39.1 Å²	39.1	23%	0.227	20%	0.197	C	C	.	.	S	Bend	trans	-80.7	133.6	-178.3	62.5	0	0	0	0	111.5	H278 R282 Q300	H278-T280 VanDerWaalsContact C-N 3.27Å; H278-T280 WeakPolarHBondContact CE1-CG2 3.2Å; H278-T280 PolarHBondContact CE1-OG1 3.38Å; H278-T280 VanDerWaalsContact CE1-OG1 3.27Å; H278-T280 PolarHBondContact ND1-N 3.14Å; H278-T280 PolarHBondContact ND1-OG1 3.45Å; H278-T280 PolarHBondContact O-N 3.27Å; T280-R282 WeakPolarHBondContact O-CD 3.43Å; T280-R282 PolarHBondContact O-NH1 2.71Å; T280-Q300 VanDerWaalsContact CA-OE1 3.26Å; T280-Q300 HydrophobicContact CG2-CB 4.19Å; T280-Q300 HydrophobicContact CG2-CG 3.94Å
281	L	98.8	Very high	98.2	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.031	20%	0.2	C	C	.	.			trans	-81.4	133.8	172.8	-172.8	70.1	0	0	0	110	L273 V293 I305 V308 Y317 T319	L273-L281 HydrophobicContact CD1-CD2 4.49Å; L273-L281 HydrophobicContact CD2-CD2 3.87Å; L273-L281 HydrophobicContact CD2-CG 4.22Å; L281-V293 WeakPolarHBondContact O-CG1 3.38Å; L281-I305 HydrophobicContact CB-CD1 3.83Å; L281-I305 HydrophobicContact CD1-CD1 3.87Å; L281-I305 HydrophobicContact CG-CD1 4.47Å; L281-V308 HydrophobicContact CD1-CB 4.45Å; L281-V308 HydrophobicContact CD1-CG1 4.03Å; L281-V308 HydrophobicContact CD1-CG2 3.55Å; L281-Y317 HydrophobicContact CD2-CD2 3.95Å; L281-Y317 HydrophobicContact CD2-CE2 3.29Å; L281-T319 HydrophobicContact CD1-CG2 4.21Å; L281-T319 HydrophobicContact CD2-CG2 3.86Å
282	R	98.6	Very high	98.2	Very high	21 Å²	21	40 Å²	40	8%	0.079	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	139.5	176	-64.6	79.9	165	169.6	-6.6	110.4	E256 L273 V274 T276 H278 T280 Y284	E256-R282 IonicContact OE1-NE 3.84Å; E256-R282 PolarHBondContact OE1-NE 3.34Å; E256-R282 IonicContact OE2-NE 3.48Å; E256-R282 IonicContact OE2-NH2 3.99Å; L273-R282 CarbonylContact C-O 3.51Å; L273-R282 WeakPolarHBondContact CA-O 3.23Å; V274-R282 HydrophobicContact CB-CB 4.28Å; V274-R282 PolarHBondContact N-O 3.41Å; V274-R282 PolarHBondContact O-N 3.19Å; V274-R282 VanDerWaalsContact O-N 3.07Å; T276-R282 VanDerWaalsContact OG1-CZ 3.3Å; T276-R282 PolarHBondContact OG1-NH1 3.06Å; T276-R282 PolarHBondContact OG1-NH2 3.06Å; H278-R282 PolarHBondContact O-NH1 3.08Å; T280-R282 WeakPolarHBondContact O-CD 3.43Å; T280-R282 PolarHBondContact O-NH1 2.71Å; R282-Y284 HydrophobicContact CB-CD2 4.08Å; R282-Y284 HydrophobicContact CB-CE2 3.71Å; R282-Y284 HydrophobicContact CG-CE2 4.2Å
283	L	98.7	Very high	98.2	Very high	17 Å²	17	43.9 Å²	43.9	9%	0.089	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.7	165.8	-179.5	101.2	0	0	0	107.4	F271 L273 F292 Y310	F271-L283 HydrophobicContact CB-CD1 4.18Å; F271-L283 HydrophobicContact CD1-CD2 3.93Å; F271-L283 HydrophobicContact CD1-CG 4.25Å; F271-L283 HydrophobicContact CE1-CD2 4.38Å; L273-L283 HydrophobicContact CD2-CB 4.06Å; L273-L283 HydrophobicContact CD2-CD1 3.59Å; L273-L283 HydrophobicContact CD2-CG 4.44Å; L273-L283 HydrophobicContact CG-CD1 4.2Å; L283-F292 HydrophobicContact CB-CB 4.4Å; L283-F292 HydrophobicContact CD2-CB 4.22Å; L283-F292 HydrophobicContact CD2-CD2 4.25Å; L283-F292 PolarHBondContact N-O 2.72Å; L283-F292 PolarHBondContact O-N 2.76Å; L283-Y310 WeakPolarHBondContact CD1-OH 3.3Å
284	Y	98.8	Very high	98.2	Very high	20 Å²	20	44.3 Å²	44.3	8%	0.078	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135.9	174.2	-77.5	-84.4	0	0	0	110.6	I254 E256 F271 I272 V274 R282 Q290 C291	I254-Y284 HydrophobicContact CD1-CD1 3.73Å; I254-Y284 HydrophobicContact CD1-CD2 4.43Å; I254-Y284 HydrophobicContact CD1-CE1 4.17Å; I254-Y284 HydrophobicContact CD1-CG 3.85Å; I254-Y284 HydrophobicContact CG2-CD1 4.36Å; I254-Y284 HydrophobicContact CG2-CE1 3.72Å; E256-Y284 WeakPolarHBondContact OE1-CE2 3.49Å; E256-Y284 PolarHBondContact OE1-OH 3.2Å; F271-Y284 CarbonylContact C-O 3.26Å; F271-Y284 VanDerWaalsContact CA-O 3.23Å; F271-Y284 WeakPolarHBondContact CA-O 3.47Å; I272-Y284 PolarHBondContact N-O 2.82Å; I272-Y284 PolarHBondContact O-N 3.22Å; V274-Y284 HydrophobicContact CB-CD2 4.31Å; V274-Y284 HydrophobicContact CB-CE2 4.41Å; V274-Y284 HydrophobicContact CG2-CD2 3.69Å; V274-Y284 HydrophobicContact CG2-CE2 4.17Å; R282-Y284 HydrophobicContact CB-CD2 4.08Å; R282-Y284 HydrophobicContact CB-CE2 3.71Å; R282-Y284 HydrophobicContact CG-CE2 4.2Å; Y284-Q290 WeakPolarHBondContact CA-O 3.21Å; Y284-C291 HydrophobicContact CD1-CB 3.94Å; Y284-C291 HydrophobicContact CE1-CB 3.47Å; Y284-C291 VanDerWaalsContact CE1-CB 3.47Å
285	D	98.3	Very high	98.1	Very high	26 Å²	26	49.5 Å²	49.5	14%	0.139	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	123.2	160.6	177	-24.2	0	0	0	108.5	F271 N287 T288 F289 Q290 F292	F271-D285 HydrophobicContact CD1-CB 4.07Å; F271-D285 HydrophobicContact CE1-CB 3.85Å; D285-N287 VanDerWaalsContact C-N 3.3Å; D285-N287 PolarHBondContact O-N 3.06Å; D285-N287 WeakPolarHBondContact OD1-CA 3.11Å; D285-N287 WeakPolarHBondContact OD1-CB 3.01Å; D285-N287 PolarHBondContact OD1-N 3.28Å; D285-T288 VanDerWaalsContact CB-OG1 3.29Å; D285-T288 WeakPolarHBondContact CB-OG1 3.36Å; D285-T288 PolarHBondContact OD1-N 2.75Å; D285-T288 VanDerWaalsContact OD1-N 3.12Å; D285-T288 WeakPolarHBondContact OD2-CG2 3.31Å; D285-T288 PolarHBondContact OD2-OG1 3.42Å; D285-F289 WeakPolarHBondContact O-CA 3.34Å; D285-F289 PolarHBondContact O-N 2.73Å; D285-Q290 PolarHBondContact N-O 3.23Å; D285-Q290 VanDerWaalsContact N-O 3.11Å; D285-F292 HydrophobicContact CB-CE2 4.31Å
286	I	96.5	Very high	98.1	Very high	18 Å²	18	51.3 Å²	51.3	9%	0.092	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-25.1	-176.4	-68.5	-70.8	0	0	0	112.2	L239 F265 D270 I272 F289	L239-I286 HydrophobicContact CD1-CD1 4.07Å; L239-I286 HydrophobicContact CD1-CG2 3.96Å; L239-I286 HydrophobicContact CD2-CD1 4.21Å; F265-I286 HydrophobicContact CE1-CD1 4.02Å; F265-I286 HydrophobicContact CE1-CG1 4.01Å; F265-I286 HydrophobicContact CZ-CD1 4.49Å; D270-I286 WeakPolarHBondContact O-CB 3.47Å; D270-I286 PolarHBondContact O-N 2.87Å; I272-I286 HydrophobicContact CB-CD1 3.97Å; I272-I286 HydrophobicContact CB-CG1 4.38Å; I272-I286 HydrophobicContact CG2-CD1 3.53Å; I272-I286 HydrophobicContact CG2-CG1 4.23Å; I286-F289 WeakPolarHBondContact O-CE1 3Å
287	N	95.3	Very high	98	Very high	116 Å²	116	56.3 Å²	56.3	62%	0.62	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-37.2	-178.9	-60	-59.1	0	0	0	111.4	D270 D285	D270-N287 PolarHBondContact OD1-ND2 3.07Å; D285-N287 VanDerWaalsContact C-N 3.3Å; D285-N287 PolarHBondContact O-N 3.06Å; D285-N287 WeakPolarHBondContact OD1-CA 3.11Å; D285-N287 WeakPolarHBondContact OD1-CB 3.01Å; D285-N287 PolarHBondContact OD1-N 3.28Å
288	T	97.4	Very high	98	Very high	72 Å²	72	61 Å²	61	44%	0.442	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-17.2	-175	67.6	0	0	0	0	114.5	D285 Q290	D285-T288 VanDerWaalsContact CB-OG1 3.29Å; D285-T288 WeakPolarHBondContact CB-OG1 3.36Å; D285-T288 PolarHBondContact OD1-N 2.75Å; D285-T288 VanDerWaalsContact OD1-N 3.12Å; D285-T288 WeakPolarHBondContact OD2-CG2 3.31Å; D285-T288 PolarHBondContact OD2-OG1 3.42Å; T288-Q290 PolarHBondContact O-N 3.44Å; T288-Q290 PolarHBondContact OG1-N 3.02Å
289	F	97.3	Very high	98	Very high	61 Å²	61	57.7 Å²	57.7	27%	0.268	32%	0.316	S	S	.	.			trans	55	21.8	-169.8	-56.8	-40.8	0	0	0	115	L239 K252 I254 D285 I286	L239-F289 HydrophobicContact CD1-CE1 4.03Å; L239-F289 HydrophobicContact CD1-CZ 4.25Å; K252-F289 HydrophobicContact CB-CE2 3.99Å; K252-F289 HydrophobicContact CB-CZ 3.57Å; K252-F289 HydrophobicContact CD-CE2 3.76Å; K252-F289 HydrophobicContact CD-CZ 4.16Å; K252-F289 HydrophobicContact CG-CE2 3.88Å; K252-F289 HydrophobicContact CG-CZ 3.72Å; I254-F289 HydrophobicContact CD1-CD1 3.62Å; I254-F289 HydrophobicContact CD1-CE1 4.19Å; I254-F289 HydrophobicContact CD1-CG 4.28Å; I254-F289 HydrophobicContact CG1-CB 4.42Å; I254-F289 HydrophobicContact CG1-CD1 3.75Å; I254-F289 HydrophobicContact CG1-CE1 4.2Å; I254-F289 HydrophobicContact CG1-CG 4.07Å; D285-F289 WeakPolarHBondContact O-CA 3.34Å; D285-F289 PolarHBondContact O-N 2.73Å; I286-F289 WeakPolarHBondContact O-CE1 3Å
290	Q	98.3	Very high	98	Very high	115 Å²	115	57 Å²	57	54%	0.537	31%	0.31	S	S	.	.			trans	-71.5	138.4	168.8	-67.3	-176.4	-13.4	0	0	110	Y284 D285 T288 F292	Y284-Q290 WeakPolarHBondContact CA-O 3.21Å; D285-Q290 PolarHBondContact N-O 3.23Å; D285-Q290 VanDerWaalsContact N-O 3.11Å; T288-Q290 PolarHBondContact O-N 3.44Å; T288-Q290 PolarHBondContact OG1-N 3.02Å; Q290-F292 HydrophobicContact CB-CE2 3.7Å; Q290-F292 HydrophobicContact CB-CZ 3.74Å
291	C	98.4	Very high	98	Very high	61 Å²	61	55.6 Å²	55.6	41%	0.412	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132	177.5	-175	0	0	0	0	109.9	Y284	Y284-C291 HydrophobicContact CD1-CB 3.94Å; Y284-C291 HydrophobicContact CE1-CB 3.47Å; Y284-C291 VanDerWaalsContact CE1-CB 3.47Å
292	F	98.5	Very high	98	Very high	89 Å²	89	61 Å²	61	39%	0.39	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	153.2	174.2	-52.9	-86	0	0	0	109.9	L283 D285 Q290	L283-F292 HydrophobicContact CB-CB 4.4Å; L283-F292 HydrophobicContact CD2-CB 4.22Å; L283-F292 HydrophobicContact CD2-CD2 4.25Å; L283-F292 PolarHBondContact N-O 2.72Å; L283-F292 PolarHBondContact O-N 2.76Å; D285-F292 HydrophobicContact CB-CE2 4.31Å; Q290-F292 HydrophobicContact CB-CE2 3.7Å; Q290-F292 HydrophobicContact CB-CZ 3.74Å
293	V	98.4	Very high	98	Very high	81 Å²	81	63.5 Å²	63.5	49%	0.491	35%	0.349	S	S	.	.			trans	-139.7	164.8	175.6	-61.1	0	0	0	0	108.5	L281 C295	L281-V293 WeakPolarHBondContact O-CG1 3.38Å; V293-C295 PolarHBondContact O-N 2.7Å
294	S	98	Very high	98	Very high	10 Å²	10	62.9 Å²	62.9	7%	0.07	35%	0.346	C	S	.	.			trans	-54.1	139.3	172.7	177.9	0	0	0	0	110.8	N296 D299 N334 R335	S294-N296 PolarHBondContact O-N 2.84Å; S294-N296 PolarHBondContact OG-N 3.43Å; S294-D299 PolarHBondContact OG-OD2 3.15Å; S294-N334 VanDerWaalsContact CB-O 3.29Å; S294-N334 WeakPolarHBondContact CB-O 3.45Å; S294-R335 WeakPolarHBondContact OG-CD 3.49Å
295	C	97.4	Very high	98	Very high	109 Å²	109	61.9 Å²	61.9	74%	0.736	34%	0.343	S	S	*	.	S	Bend	trans	-68.1	-16.1	176.6	66.1	0	0	0	0	113.5	V293	V293-C295 PolarHBondContact O-N 2.7Å
296	N	97.9	Very high	98	Very high	38 Å²	38	60.7 Å²	60.7	20%	0.203	34%	0.336	C	S	.	.			trans	-106.1	111.3	174	-178.6	17.3	0	0	0	110.6	S294 Q298 D299 R335	S294-N296 PolarHBondContact O-N 2.84Å; S294-N296 PolarHBondContact OG-N 3.43Å; N296-Q298 PolarHBondContact O-N 2.94Å; N296-Q298 VanDerWaalsContact O-N 3.15Å; N296-Q298 PolarHBondContact OD1-N 3.35Å; N296-D299 WeakPolarHBondContact CB-OD1 3.41Å; N296-D299 PolarHBondContact ND2-OD1 2.91Å; N296-D299 VanDerWaalsContact O-CB 3.3Å; N296-D299 WeakPolarHBondContact O-CB 3.37Å; N296-D299 PolarHBondContact O-N 3.23Å; N296-R335 PolarHBondContact ND2-NH2 3.04Å
297	P	97.7	Very high	98	Very high	106 Å²	106	60.2 Å²	60.2	69%	0.688	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-58.8	-26.6	177.7	-26	35.5	0	0	0	114.3	D299 Q300	P297-D299 PolarHBondContact O-N 3.35Å; P297-Q300 WeakPolarHBondContact O-CB 3.47Å; P297-Q300 WeakPolarHBondContact O-CG 3.34Å; P297-Q300 PolarHBondContact O-N 2.77Å
298	Q	98	Very high	98.2	Very high	168 Å²	168	54.7 Å²	54.7	79%	0.785	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-69	-17.3	178.6	-61	177.9	-10.3	0	0	113.2	N296 Q300	N296-Q298 PolarHBondContact O-N 2.94Å; N296-Q298 VanDerWaalsContact O-N 3.15Å; N296-Q298 PolarHBondContact OD1-N 3.35Å; Q298-Q300 PolarHBondContact O-N 3.21Å
299	D	98.1	Very high	98.3	Very high	10 Å²	10	53.6 Å²	53.6	5%	0.053	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-68.3	-27.7	177.2	-68.7	6.8	0	0	0	111.4	S294 N296 P297 K327 W329 R335 C336	S294-D299 PolarHBondContact OG-OD2 3.15Å; N296-D299 WeakPolarHBondContact CB-OD1 3.41Å; N296-D299 PolarHBondContact ND2-OD1 2.91Å; N296-D299 VanDerWaalsContact O-CB 3.3Å; N296-D299 WeakPolarHBondContact O-CB 3.37Å; N296-D299 PolarHBondContact O-N 3.23Å; P297-D299 PolarHBondContact O-N 3.35Å; D299-K327 VanDerWaalsContact O-CD 3.26Å; D299-K327 WeakPolarHBondContact O-CD 3.22Å; D299-K327 VanDerWaalsContact O-CE 3.22Å; D299-K327 WeakPolarHBondContact O-CE 3.26Å; D299-K327 PolarHBondContact O-NZ 2.8Å; D299-W329 HydrophobicContact CB-CH2 3.98Å; D299-W329 HydrophobicContact CB-CZ3 3.71Å; D299-W329 WeakPolarHBondContact O-CH2 3Å; D299-R335 IonicContact OD1-CZ 2.75Å; D299-R335 IonicContact OD1-NE 3.35Å; D299-R335 IonicContact OD1-NH2 2.73Å; D299-R335 PolarHBondContact OD1-NH2 3.26Å; D299-R335 WeakPolarHBondContact OD2-CA 3.43Å; D299-R335 WeakPolarHBondContact OD2-CD 3.42Å; D299-R335 IonicContact OD2-CZ 3.22Å; D299-R335 IonicContact OD2-NE 3.37Å; D299-R335 PolarHBondContact OD2-NE 3.02Å; D299-R335 IonicContact OD2-NH2 3.07Å; D299-C336 HydrophobicContact CB-CB 3.62Å; D299-C336 PolarHBondContact OD2-N 3.4Å
300	Q	98.6	Very high	98.3	Very high	16 Å²	16	51.7 Å²	51.7	8%	0.075	29%	0.287	C	S	.	.	S	Bend	trans	-67.7	159.4	-171.5	-56.3	-63.2	-23.5	0	0	112.4	T280 P297 Q298 K327	T280-Q300 VanDerWaalsContact CA-OE1 3.26Å; T280-Q300 HydrophobicContact CG2-CB 4.19Å; T280-Q300 HydrophobicContact CG2-CG 3.94Å; P297-Q300 WeakPolarHBondContact O-CB 3.47Å; P297-Q300 WeakPolarHBondContact O-CG 3.34Å; P297-Q300 PolarHBondContact O-N 2.77Å; Q298-Q300 PolarHBondContact O-N 3.21Å; Q300-K327 VanDerWaalsContact O-CE 3.31Å; Q300-K327 WeakPolarHBondContact O-CE 3.48Å
301	H	98.8	Very high	98.2	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.037	26%	0.263	C	S	.	.			trans	-67.8	167.9	170.4	-78.7	-74.1	0	0	0	110.8	P279 T319 S321 D323	P279-H301 HydrophobicContact CB-CB 4.3Å; P279-H301 WeakPolarHBondContact CB-O 3.19Å; P279-H301 WeakPolarHBondContact O-CB 3.17Å; P279-H301 PolarHBondContact O-N 3.46Å; H301-T319 WeakPolarHBondContact NE2-CB 3.27Å; H301-T319 PolarHBondContact NE2-OG1 3.4Å; H301-S321 WeakPolarHBondContact ND1-CB 3.39Å; H301-D323 WeakPolarHBondContact CA-OD2 3.33Å; H301-D323 VanDerWaalsContact CB-OD2 3.3Å; H301-D323 WeakPolarHBondContact CB-OD2 3.25Å; H301-D323 IonicContact CE1-OD1 3.26Å; H301-D323 IonicContact CE1-OD2 3.53Å; H301-D323 IonicContact CG-OD2 2.79Å; H301-D323 IonicContact ND1-OD1 3.23Å; H301-D323 PolarHBondContact ND1-OD1 3.14Å; H301-D323 IonicContact ND1-OD2 3.62Å; H301-D323 PolarHBondContact ND1-OD2 3.38Å
302	T	98.5	Very high	97.6	Very high	120 Å²	120	47.4 Å²	47.4	74%	0.736	27%	0.27	S	S	*	.	S	Bend	trans	-107.1	-2.3	176.3	57.3	0	0	0	0	113.6	D323	T302-D323 PolarHBondContact N-OD2 3.14Å; T302-D323 WeakPolarHBondContact OG1-CB 3.34Å
303	D	98.6	Very high	97.2	Very high	72 Å²	72	46.6 Å²	46.6	39%	0.385	28%	0.276	S	S	.	.	S	Bend	trans	-147.8	177.5	173.5	-156.9	-22.6	0	0	0	110.1	P279 I305 S321 K322 D323	P279-D303 WeakPolarHBondContact CA-O 3.14Å; D303-I305 PolarHBondContact O-N 2.99Å; D303-S321 VanDerWaalsContact C-OG 3.3Å; D303-S321 PolarHBondContact O-OG 2.62Å; D303-K322 HydrophobicContact CB-CB 3.85Å; D303-K322 WeakPolarHBondContact OD2-CB 3.45Å; D303-D323 HydrophobicContact CB-CB 3.99Å
304	A	98.4	Very high	97	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.033	26%	0.257	C	S	.	.			trans	-50.9	129.4	-176.1	0	0	0	0	0	113.8	Q277 C306 S321 K322	Q277-A304 WeakPolarHBondContact O-CA 3.26Å; Q277-A304 WeakPolarHBondContact O-CB 3.34Å; A304-C306 PolarHBondContact O-N 3.19Å; A304-S321 WeakPolarHBondContact O-CA 3.5Å; A304-S321 PolarHBondContact O-OG 2.97Å; A304-K322 HydrophobicContact CB-CD 4.09Å; A304-K322 HydrophobicContact CB-CG 4.26Å; A304-K322 PolarHBondContact O-N 2.63Å
305	I	98.8	Very high	96.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.1	177.6	-59.7	169.2	0	0	0	108.8	R261 T276 L281 D303 V308	R261-I305 WeakPolarHBondContact CB-O 3.26Å; R261-I305 WeakPolarHBondContact CD-O 3.43Å; R261-I305 PolarHBondContact NE-O 3.21Å; R261-I305 VanDerWaalsContact NE-O 3.08Å; T276-I305 PolarHBondContact O-N 3.38Å; T276-I305 VanDerWaalsContact O-N 3.14Å; L281-I305 HydrophobicContact CB-CD1 3.83Å; L281-I305 HydrophobicContact CD1-CD1 3.87Å; L281-I305 HydrophobicContact CG-CD1 4.47Å; D303-I305 PolarHBondContact O-N 2.99Å; I305-V308 HydrophobicContact CG2-CG2 3.5Å
306	C	98.4	Very high	96.9	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.007	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-31.6	-176.1	-72.7	0	0	0	0	113.6	R261 A304 G320 V349 R396	R261-C306 PolarHBondContact NH2-SG 2.98Å; A304-C306 PolarHBondContact O-N 3.19Å; C306-G320 PolarHBondContact N-O 3.43Å; C306-V349 WeakPolarHBondContact CB-O 3.37Å; C306-R396 PolarHBondContact O-NH1 2.89Å
307	S	98.3	Very high	97	Very high	7 Å²	7	41.1 Å²	41.1	5%	0.049	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	146.4	177.6	60.2	0	0	0	0	110.9	S262 T319 G320 S351 A352	S262-S307 WeakPolarHBondContact OG-CA 3.14Å; S307-T319 VanDerWaalsContact O-CA 3.27Å; S307-T319 WeakPolarHBondContact O-CA 3.37Å; S307-G320 PolarHBondContact N-O 3.34Å; S307-G320 PolarHBondContact O-N 3.23Å; S307-S351 WeakPolarHBondContact OG-CA 3.49Å; S307-A352 PolarHBondContact OG-N 2.94Å; S307-A352 VanDerWaalsContact OG-N 3.12Å
308	V	98.7	Very high	97	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	128.4	175.4	-174.8	0	0	0	0	108	S262 S264 L273 L281 I305 V318 T319	S262-V308 PolarHBondContact OG-N 2.88Å; S264-V308 WeakPolarHBondContact CB-O 3.44Å; L273-V308 HydrophobicContact CB-CG1 3.66Å; L273-V308 HydrophobicContact CD1-CG1 3.7Å; L273-V308 HydrophobicContact CG-CG1 4.32Å; L281-V308 HydrophobicContact CD1-CB 4.45Å; L281-V308 HydrophobicContact CD1-CG1 4.03Å; L281-V308 HydrophobicContact CD1-CG2 3.55Å; I305-V308 HydrophobicContact CG2-CG2 3.5Å; V308-V318 WeakPolarHBondContact CA-O 3.43Å; V308-T319 HydrophobicContact CB-CG2 4.33Å; V308-T319 HydrophobicContact CG1-CG2 4.02Å; V308-T319 HydrophobicContact CG2-CG2 3.96Å
309	N	98.6	Very high	97.1	Very high	49 Å²	49	28.1 Å²	28.1	26%	0.262	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	128	177.8	-71.6	-72.2	0	0	0	111.6	Y317 V318 A352	N309-Y317 CarbonylContact O-C 3.54Å; N309-Y317 VanDerWaalsContact O-CA 3.26Å; N309-Y317 WeakPolarHBondContact O-CA 3.25Å; N309-Y317 WeakPolarHBondContact O-CB 3.43Å; N309-V318 HydrophobicContact CB-CG1 4.25Å; N309-V318 PolarHBondContact N-O 2.85Å; N309-V318 PolarHBondContact O-N 3.4Å; N309-A352 PolarHBondContact ND2-O 3.31Å
310	Y	98.3	Very high	97.1	Very high	22 Å²	22	27.6 Å²	27.6	9%	0.086	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	151.9	161.8	-83.7	-76.5	0	0	0	111.2	S264 H266 L273 L283 A314 Y317	S264-Y310 PolarHBondContact OG-N 2.87Å; S264-Y310 VanDerWaalsContact OG-N 3.15Å; H266-Y310 HydrophobicContact CB-CD2 4.49Å; H266-Y310 HydrophobicContact CB-CE2 3.92Å; H266-Y310 AromaticContact CD2-CE1 3.78Å; H266-Y310 AromaticContact CD2-CZ 3.75Å; L273-Y310 HydrophobicContact CB-CE2 4.32Å; L273-Y310 HydrophobicContact CD1-CD2 3.84Å; L273-Y310 HydrophobicContact CD1-CE1 4.1Å; L273-Y310 HydrophobicContact CD1-CE2 3.28Å; L273-Y310 HydrophobicContact CD1-CG 4.44Å; L273-Y310 VanDerWaalsContact CD1-CZ 3.42Å; L273-Y310 HydrophobicContact CG-CD2 4.38Å; L273-Y310 HydrophobicContact CG-CE2 3.48Å; L273-Y310 VanDerWaalsContact CG-CE2 3.48Å; L283-Y310 WeakPolarHBondContact CD1-OH 3.3Å; Y310-A314 HydrophobicContact CD1-CB 4.48Å; Y310-Y317 HydrophobicContact CD1-CD1 4.25Å; Y310-Y317 HydrophobicContact CD1-CG 4.48Å; Y310-Y317 AromaticContact CE1-CD1 3.72Å; Y310-Y317 HydrophobicContact CE1-CD1 3.72Å; Y310-Y317 HydrophobicContact CE1-CG 4.28Å
311	N	95.1	Very high	97.1	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.027	16%	0.16	C	C	.	.			trans	-79.6	173.6	161.9	79.3	-27.1	0	0	0	111.4	S313 A314 N315 M316 F354 S358	N311-S313 VanDerWaalsContact C-N 3.33Å; N311-S313 PolarHBondContact ND2-OG 3.05Å; N311-S313 VanDerWaalsContact ND2-OG 3.1Å; N311-S313 PolarHBondContact O-N 2.96Å; N311-A314 PolarHBondContact O-N 2.9Å; N311-A314 WeakPolarHBondContact OD1-CA 3.41Å; N311-A314 PolarHBondContact OD1-N 2.96Å; N311-N315 PolarHBondContact ND2-OD1 3.32Å; N311-N315 PolarHBondContact OD1-N 2.85Å; N311-N315 PolarHBondContact OD1-OD1 2.96Å; N311-M316 PolarHBondContact N-O 3.08Å; N311-M316 PolarHBondContact OD1-N 2.98Å; N311-M316 VanDerWaalsContact OD1-N 3.16Å; N311-M316 PolarHBondContact OD1-O 3.1Å; N311-F354 HydrophobicContact CB-CB 4.14Å; N311-F354 HydrophobicContact CB-CD1 3.99Å; N311-F354 HydrophobicContact CB-CD2 3.56Å; N311-F354 HydrophobicContact CB-CE1 4.25Å; N311-F354 HydrophobicContact CB-CE2 3.85Å; N311-F354 HydrophobicContact CB-CG 3.63Å; N311-F354 HydrophobicContact CB-CZ 4.19Å; N311-S358 WeakPolarHBondContact CB-OG 3.46Å; N311-S358 WeakPolarHBondContact ND2-CB 3.39Å; N311-S358 PolarHBondContact ND2-OG 2.94Å
312	S	86.8	Confident	97.1	Very high	80 Å²	80	30 Å²	30	56%	0.559	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-36.5	-175	50.4	0	0	0	0	113.7	K356	S312-K356 PolarHBondContact OG-O 2.93Å
313	S	90.1	Very high	97.1	Very high	72 Å²	72	25.9 Å²	25.9	50%	0.503	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-0.7	-179.2	62.9	0	0	0	0	114.6	N311 N315	N311-S313 VanDerWaalsContact C-N 3.33Å; N311-S313 PolarHBondContact ND2-OG 3.05Å; N311-S313 VanDerWaalsContact ND2-OG 3.1Å; N311-S313 PolarHBondContact O-N 2.96Å; S313-N315 PolarHBondContact O-N 2.8Å; S313-N315 VanDerWaalsContact OG-CG 3.32Å; S313-N315 PolarHBondContact OG-OD1 2.86Å
314	A	94.6	Very high	97	Very high	11 Å²	11	22.4 Å²	22.4	9%	0.091	13%	0.129	C	C	.	.	S	Bend	trans	62.5	-2.2	-174.4	0	0	0	0	0	116.7	H266 P267 Y310 N311 M316	H266-A314 VanDerWaalsContact NE2-CB 3.27Å; H266-A314 WeakPolarHBondContact NE2-CB 3.29Å; P267-A314 HydrophobicContact CB-CB 4.2Å; P267-A314 VanDerWaalsContact CD-CB 3.5Å; P267-A314 HydrophobicContact CG-CB 3.58Å; Y310-A314 HydrophobicContact CD1-CB 4.48Å; N311-A314 PolarHBondContact O-N 2.9Å; N311-A314 WeakPolarHBondContact OD1-CA 3.41Å; N311-A314 PolarHBondContact OD1-N 2.96Å; A314-M316 PolarHBondContact O-N 3.24Å
315	N	95.3	Very high	97	Very high	76 Å²	76	23 Å²	23	41%	0.406	13%	0.133	S	C	.	.	S	Bend	trans	-73	-14.4	-177.5	74.3	-18.5	0	0	0	112.7	N311 S313 G331	N311-N315 PolarHBondContact ND2-OD1 3.32Å; N311-N315 PolarHBondContact OD1-N 2.85Å; N311-N315 PolarHBondContact OD1-OD1 2.96Å; S313-N315 PolarHBondContact O-N 2.8Å; S313-N315 VanDerWaalsContact OG-CG 3.32Å; S313-N315 PolarHBondContact OG-OD1 2.86Å; N315-G331 PolarHBondContact O-N 3.04Å
316	M	97.9	Very high	97	Very high	33 Å²	33	23 Å²	23	16%	0.163	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	153.8	177.4	-71.1	-179.9	-78.6	0	0	111.2	N311 A314 L328 W329 I337 F354	N311-M316 PolarHBondContact N-O 3.08Å; N311-M316 PolarHBondContact OD1-N 2.98Å; N311-M316 VanDerWaalsContact OD1-N 3.16Å; N311-M316 PolarHBondContact OD1-O 3.1Å; A314-M316 PolarHBondContact O-N 3.24Å; M316-L328 HydrophobicContact CB-CD1 4.18Å; M316-L328 HydrophobicContact CG-CD1 4.47Å; M316-L328 HydrophobicContact SD-CD1 4.16Å; M316-L328 HydrophobicContact SD-CD2 4.29Å; M316-W329 VanDerWaalsContact CA-O 3.26Å; M316-W329 WeakPolarHBondContact CA-O 3.21Å; M316-I337 HydrophobicContact CG-CD1 4.31Å; M316-I337 HydrophobicContact SD-CD1 4.5Å; M316-F354 HydrophobicContact CB-CE1 4.3Å; M316-F354 HydrophobicContact CB-CZ 3.92Å
317	Y	98.7	Very high	97	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	156.6	165.7	57.8	-89.2	0	0	0	110.9	L273 L281 N309 Y310 T319 W329 D330 N334	L273-Y317 HydrophobicContact CD1-CD1 3.9Å; L273-Y317 HydrophobicContact CD1-CD2 3.56Å; L273-Y317 HydrophobicContact CD1-CE1 4.36Å; L273-Y317 HydrophobicContact CD1-CE2 4.05Å; L273-Y317 HydrophobicContact CD1-CG 3.47Å; L273-Y317 VanDerWaalsContact CD1-CG 3.47Å; L273-Y317 HydrophobicContact CD2-CE2 4.41Å; L281-Y317 HydrophobicContact CD2-CD2 3.95Å; L281-Y317 HydrophobicContact CD2-CE2 3.29Å; N309-Y317 CarbonylContact O-C 3.54Å; N309-Y317 VanDerWaalsContact O-CA 3.26Å; N309-Y317 WeakPolarHBondContact O-CA 3.25Å; N309-Y317 WeakPolarHBondContact O-CB 3.43Å; Y310-Y317 HydrophobicContact CD1-CD1 4.25Å; Y310-Y317 HydrophobicContact CD1-CG 4.48Å; Y310-Y317 AromaticContact CE1-CD1 3.72Å; Y310-Y317 HydrophobicContact CE1-CD1 3.72Å; Y310-Y317 HydrophobicContact CE1-CG 4.28Å; Y317-T319 HydrophobicContact CD2-CG2 4.47Å; Y317-W329 HydrophobicContact CD1-CB 3.97Å; Y317-W329 HydrophobicContact CD2-CB 3.51Å; Y317-W329 AromaticContact CD2-CD1 3.55Å; Y317-W329 HydrophobicContact CD2-CD2 4.45Å; Y317-W329 AromaticContact CD2-CG 3.59Å; Y317-W329 HydrophobicContact CD2-CG 3.59Å; Y317-W329 HydrophobicContact CE1-CB 3.62Å; Y317-W329 HydrophobicContact CE1-CG 4.47Å; Y317-W329 HydrophobicContact CE2-CB 3.1Å; Y317-W329 AromaticContact CE2-CD1 3.42Å; Y317-W329 VanDerWaalsContact CE2-CD1 3.42Å; Y317-W329 AromaticContact CE2-CD2 3.56Å; Y317-W329 HydrophobicContact CE2-CD2 3.56Å; Y317-W329 HydrophobicContact CE2-CE3 4.16Å; Y317-W329 AromaticContact CE2-CG 3.06Å; Y317-W329 HydrophobicContact CE2-CG 3.06Å; Y317-W329 HydrophobicContact CG-CB 3.92Å; Y317-W329 HydrophobicContact CG-CG 4.46Å; Y317-W329 AromaticContact CZ-CD2 3.99Å; Y317-W329 AromaticContact CZ-CG 3.6Å; Y317-W329 PolarHBondContact N-O 2.73Å; Y317-W329 VanDerWaalsContact N-O 3.08Å; Y317-W329 PolarHBondContact O-N 3.38Å; Y317-D330 WeakPolarHBondContact CE1-O 3.05Å; Y317-N334 WeakPolarHBondContact OH-CA 3.43Å; Y317-N334 PolarHBondContact OH-ND2 2.89Å
318	V	98.8	Very high	97.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.1	-177.5	67.4	0	0	0	0	110.2	V308 N309 I326 K327 A352 F354 I361	V308-V318 WeakPolarHBondContact CA-O 3.43Å; N309-V318 HydrophobicContact CB-CG1 4.25Å; N309-V318 PolarHBondContact N-O 2.85Å; N309-V318 PolarHBondContact O-N 3.4Å; V318-I326 HydrophobicContact CG2-CG2 3.47Å; V318-I326 VanDerWaalsContact CG2-CG2 3.47Å; V318-K327 WeakPolarHBondContact CA-O 3.26Å; V318-A352 HydrophobicContact CG1-CB 4.03Å; V318-A352 WeakPolarHBondContact CG1-O 3.49Å; V318-A352 HydrophobicContact CG2-CB 3.77Å; V318-F354 HydrophobicContact CB-CD2 4.41Å; V318-F354 HydrophobicContact CB-CE2 3.63Å; V318-F354 HydrophobicContact CB-CZ 3.85Å; V318-F354 HydrophobicContact CG1-CD2 3.86Å; V318-F354 HydrophobicContact CG1-CE2 3.52Å; V318-F354 HydrophobicContact CG1-CZ 4.21Å; V318-I361 HydrophobicContact CG2-CD1 3.93Å; V318-I361 HydrophobicContact CG2-CG1 4.42Å; V318-I361 HydrophobicContact CG2-CG2 4.06Å
319	T	98.9	Very high	97.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.9	174.3	57.1	0	0	0	0	111.4	L281 H301 S307 V308 Y317 I326 K327 W329	L281-T319 HydrophobicContact CD1-CG2 4.21Å; L281-T319 HydrophobicContact CD2-CG2 3.86Å; H301-T319 WeakPolarHBondContact NE2-CB 3.27Å; H301-T319 PolarHBondContact NE2-OG1 3.4Å; S307-T319 VanDerWaalsContact O-CA 3.27Å; S307-T319 WeakPolarHBondContact O-CA 3.37Å; V308-T319 HydrophobicContact CB-CG2 4.33Å; V308-T319 HydrophobicContact CG1-CG2 4.02Å; V308-T319 HydrophobicContact CG2-CG2 3.96Å; Y317-T319 HydrophobicContact CD2-CG2 4.47Å; T319-I326 CarbonylContact O-C 3.55Å; T319-I326 VanDerWaalsContact O-CA 3.3Å; T319-I326 WeakPolarHBondContact O-CA 3.4Å; T319-K327 PolarHBondContact N-O 3.27Å; T319-K327 PolarHBondContact O-N 2.93Å; T319-W329 PolarHBondContact OG1-NE1 2.79Å
320	G	98.6	Very high	97	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	139.9	170.2	0	0	0	0	0	109.5	C306 S307	C306-G320 PolarHBondContact N-O 3.43Å; S307-G320 PolarHBondContact N-O 3.34Å; S307-G320 PolarHBondContact O-N 3.23Å
321	S	98.7	Very high	96.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	164.4	-174.3	171.4	0	0	0	0	113	H301 D303 A304 D323 G324 C325 V349	H301-S321 WeakPolarHBondContact ND1-CB 3.39Å; D303-S321 VanDerWaalsContact C-OG 3.3Å; D303-S321 PolarHBondContact O-OG 2.62Å; A304-S321 WeakPolarHBondContact O-CA 3.5Å; A304-S321 PolarHBondContact O-OG 2.97Å; S321-D323 WeakPolarHBondContact CB-OD1 3.29Å; S321-D323 PolarHBondContact O-N 3.49Å; S321-D323 PolarHBondContact OG-N 3.09Å; S321-D323 PolarHBondContact OG-OD1 2.78Å; S321-G324 PolarHBondContact O-N 3.18Å; S321-C325 PolarHBondContact N-O 2.99Å; S321-V349 PolarHBondContact O-N 3.46Å
322	K	98.4	Very high	97	Very high	73 Å²	73	28.9 Å²	28.9	32%	0.317	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.6	169.2	-73.9	-163.5	177.1	-177.1	0	113.9	D303 A304 G324 E348	D303-K322 HydrophobicContact CB-CB 3.85Å; D303-K322 WeakPolarHBondContact OD2-CB 3.45Å; A304-K322 HydrophobicContact CB-CD 4.09Å; A304-K322 HydrophobicContact CB-CG 4.26Å; A304-K322 PolarHBondContact O-N 2.63Å; K322-G324 PolarHBondContact O-N 3.41Å; K322-G324 VanDerWaalsContact O-N 3.09Å; K322-E348 HydrophobicContact CB-CG 4.11Å; K322-E348 HydrophobicContact CG-CB 4.43Å; K322-E348 HydrophobicContact CG-CG 4.03Å
323	D	98.3	Very high	97.4	Very high	34 Å²	34	28.1 Å²	28.1	18%	0.182	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-4.2	174.1	65.7	9.8	0	0	0	113.5	H301 T302 D303 S321 C325	H301-D323 WeakPolarHBondContact CA-OD2 3.33Å; H301-D323 VanDerWaalsContact CB-OD2 3.3Å; H301-D323 WeakPolarHBondContact CB-OD2 3.25Å; H301-D323 IonicContact CE1-OD1 3.26Å; H301-D323 IonicContact CE1-OD2 3.53Å; H301-D323 IonicContact CG-OD2 2.79Å; H301-D323 IonicContact ND1-OD1 3.23Å; H301-D323 PolarHBondContact ND1-OD1 3.14Å; H301-D323 IonicContact ND1-OD2 3.62Å; H301-D323 PolarHBondContact ND1-OD2 3.38Å; T302-D323 PolarHBondContact N-OD2 3.14Å; T302-D323 WeakPolarHBondContact OG1-CB 3.34Å; D303-D323 HydrophobicContact CB-CB 3.99Å; S321-D323 WeakPolarHBondContact CB-OD1 3.29Å; S321-D323 PolarHBondContact O-N 3.49Å; S321-D323 PolarHBondContact OG-N 3.09Å; S321-D323 PolarHBondContact OG-OD1 2.78Å; D323-C325 VanDerWaalsContact C-N 3.27Å; D323-C325 PolarHBondContact O-N 3.12Å; D323-C325 WeakPolarHBondContact OD1-CA 3.48Å; D323-C325 VanDerWaalsContact OD1-CB 3.23Å; D323-C325 WeakPolarHBondContact OD1-CB 3.24Å; D323-C325 PolarHBondContact OD1-N 3.43Å
324	G	97.7	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	79.5	9.4	179.9	0	0	0	0	0	113.6	S321 K322 K342 A343 A347	S321-G324 PolarHBondContact O-N 3.18Å; K322-G324 PolarHBondContact O-N 3.41Å; K322-G324 VanDerWaalsContact O-N 3.09Å; G324-K342 CarbonylContact O-C 3.55Å; G324-A343 PolarHBondContact O-N 3.32Å; G324-A347 VanDerWaalsContact CA-O 3.32Å; G324-A347 WeakPolarHBondContact CA-O 3.42Å
325	C	98.4	Very high	98	Very high	17 Å²	17	30 Å²	30	12%	0.115	16%	0.161	C	C	.	.			trans	-101.6	147.1	177.7	-61.8	0	0	0	0	112	S321 D323 T339 F340	S321-C325 PolarHBondContact N-O 2.99Å; D323-C325 VanDerWaalsContact C-N 3.27Å; D323-C325 PolarHBondContact O-N 3.12Å; D323-C325 WeakPolarHBondContact OD1-CA 3.48Å; D323-C325 VanDerWaalsContact OD1-CB 3.23Å; D323-C325 WeakPolarHBondContact OD1-CB 3.24Å; D323-C325 PolarHBondContact OD1-N 3.43Å; C325-T339 HydrophobicContact CB-CG2 4.1Å; C325-F340 WeakPolarHBondContact CA-O 3.28Å
326	I	98.8	Very high	98.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.8	156.6	-60.7	162.1	0	0	0	106.6	V318 T319 F340 A343 V349 A352 S363 W373	V318-I326 HydrophobicContact CG2-CG2 3.47Å; V318-I326 VanDerWaalsContact CG2-CG2 3.47Å; T319-I326 CarbonylContact O-C 3.55Å; T319-I326 VanDerWaalsContact O-CA 3.3Å; T319-I326 WeakPolarHBondContact O-CA 3.4Å; I326-F340 HydrophobicContact CB-CB 4.05Å; I326-F340 HydrophobicContact CB-CD2 3.85Å; I326-F340 HydrophobicContact CB-CG 4.28Å; I326-F340 HydrophobicContact CG2-CD2 3.83Å; I326-F340 HydrophobicContact CG2-CE2 4.28Å; I326-F340 PolarHBondContact N-O 3.12Å; I326-F340 WeakPolarHBondContact O-CD2 3.26Å; I326-F340 PolarHBondContact O-N 3.32Å; I326-A343 HydrophobicContact CB-CB 4.4Å; I326-A343 HydrophobicContact CD1-CB 3.64Å; I326-A343 HydrophobicContact CG1-CB 3.75Å; I326-V349 HydrophobicContact CD1-CG1 4.47Å; I326-V349 HydrophobicContact CG1-CG1 3.84Å; I326-V349 HydrophobicContact CG1-CG2 4.17Å; I326-A352 HydrophobicContact CG2-CB 4.47Å; I326-S363 VanDerWaalsContact CD1-CB 3.45Å; I326-S363 WeakPolarHBondContact CD1-OG 3.21Å; I326-W373 HydrophobicContact CD1-CZ2 4.12Å
327	K	98.8	Very high	98.1	Very high	15 Å²	15	30.1 Å²	30.1	7%	0.065	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.7	170.8	-72.2	177.3	175.4	-87.1	0	110.1	D299 Q300 V318 T319 W329 T338 T339	D299-K327 VanDerWaalsContact O-CD 3.26Å; D299-K327 WeakPolarHBondContact O-CD 3.22Å; D299-K327 VanDerWaalsContact O-CE 3.22Å; D299-K327 WeakPolarHBondContact O-CE 3.26Å; D299-K327 PolarHBondContact O-NZ 2.8Å; Q300-K327 VanDerWaalsContact O-CE 3.31Å; Q300-K327 WeakPolarHBondContact O-CE 3.48Å; V318-K327 WeakPolarHBondContact CA-O 3.26Å; T319-K327 PolarHBondContact N-O 3.27Å; T319-K327 PolarHBondContact O-N 2.93Å; K327-W329 HydrophobicContact CB-CZ2 4.12Å; K327-W329 VanDerWaalsContact CB-NE1 3.34Å; K327-W329 HydrophobicContact CD-CZ2 3.78Å; K327-W329 VanDerWaalsContact O-CD1 3.28Å; K327-W329 PolarHBondContact O-NE1 3.11Å; K327-T338 WeakPolarHBondContact CA-O 3.5Å; K327-T339 HydrophobicContact CG-CG2 4.06Å; K327-T339 PolarHBondContact NZ-OG1 2.85Å
328	L	98.7	Very high	98	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.6	171.8	178.7	67.5	0	0	0	108.5	M316 I337 T338 F340 F354 I361 I375	M316-L328 HydrophobicContact CB-CD1 4.18Å; M316-L328 HydrophobicContact CG-CD1 4.47Å; M316-L328 HydrophobicContact SD-CD1 4.16Å; M316-L328 HydrophobicContact SD-CD2 4.29Å; L328-I337 HydrophobicContact CG-CB 4.47Å; L328-I337 HydrophobicContact CG-CD1 4.31Å; L328-I337 PolarHBondContact O-N 2.84Å; L328-T338 PolarHBondContact N-O 2.88Å; L328-T338 PolarHBondContact O-N 3.16Å; L328-F340 HydrophobicContact CB-CE2 4.17Å; L328-F354 HydrophobicContact CD1-CE1 3.79Å; L328-F354 HydrophobicContact CD1-CZ 3.54Å; L328-I361 HydrophobicContact CD1-CD1 4.37Å; L328-I375 HydrophobicContact CD2-CG1 4.47Å; L328-I375 HydrophobicContact CD2-CG2 3.5Å; L328-I375 VanDerWaalsContact CD2-CG2 3.5Å
329	W	98.8	Very high	98	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.1	-172.8	-54.1	78.7	0	0	0	111.3	D299 M316 Y317 T319 K327 R335 C336	D299-W329 HydrophobicContact CB-CH2 3.98Å; D299-W329 HydrophobicContact CB-CZ3 3.71Å; D299-W329 WeakPolarHBondContact O-CH2 3Å; M316-W329 VanDerWaalsContact CA-O 3.26Å; M316-W329 WeakPolarHBondContact CA-O 3.21Å; Y317-W329 HydrophobicContact CD1-CB 3.97Å; Y317-W329 HydrophobicContact CD2-CB 3.51Å; Y317-W329 AromaticContact CD2-CD1 3.55Å; Y317-W329 HydrophobicContact CD2-CD2 4.45Å; Y317-W329 AromaticContact CD2-CG 3.59Å; Y317-W329 HydrophobicContact CD2-CG 3.59Å; Y317-W329 HydrophobicContact CE1-CB 3.62Å; Y317-W329 HydrophobicContact CE1-CG 4.47Å; Y317-W329 HydrophobicContact CE2-CB 3.1Å; Y317-W329 AromaticContact CE2-CD1 3.42Å; Y317-W329 VanDerWaalsContact CE2-CD1 3.42Å; Y317-W329 AromaticContact CE2-CD2 3.56Å; Y317-W329 HydrophobicContact CE2-CD2 3.56Å; Y317-W329 HydrophobicContact CE2-CE3 4.16Å; Y317-W329 AromaticContact CE2-CG 3.06Å; Y317-W329 HydrophobicContact CE2-CG 3.06Å; Y317-W329 HydrophobicContact CG-CB 3.92Å; Y317-W329 HydrophobicContact CG-CG 4.46Å; Y317-W329 AromaticContact CZ-CD2 3.99Å; Y317-W329 AromaticContact CZ-CG 3.6Å; Y317-W329 PolarHBondContact N-O 2.73Å; Y317-W329 VanDerWaalsContact N-O 3.08Å; Y317-W329 PolarHBondContact O-N 3.38Å; T319-W329 PolarHBondContact OG1-NE1 2.79Å; K327-W329 HydrophobicContact CB-CZ2 4.12Å; K327-W329 VanDerWaalsContact CB-NE1 3.34Å; K327-W329 HydrophobicContact CD-CZ2 3.78Å; K327-W329 VanDerWaalsContact O-CD1 3.28Å; K327-W329 PolarHBondContact O-NE1 3.11Å; W329-R335 WeakPolarHBondContact CA-O 3.25Å; W329-C336 HydrophobicContact CD2-CB 4.23Å; W329-C336 HydrophobicContact CE3-CB 3.91Å; W329-C336 HydrophobicContact CH2-CB 4.3Å; W329-C336 HydrophobicContact CZ3-CB 3.95Å
330	D	98.1	Very high	97.9	Very high	53 Å²	53	35 Å²	35	28%	0.283	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	127	171.8	-179.1	-75.8	0	0	0	109.5	Y317 V332 S333 N334 R335 I337	Y317-D330 WeakPolarHBondContact CE1-O 3.05Å; D330-V332 VanDerWaalsContact C-N 3.26Å; D330-V332 PolarHBondContact O-N 3.36Å; D330-V332 PolarHBondContact OD1-N 3.23Å; D330-S333 VanDerWaalsContact CB-OG 3.26Å; D330-S333 WeakPolarHBondContact CB-OG 3.43Å; D330-S333 PolarHBondContact OD1-N 2.78Å; D330-S333 PolarHBondContact OD1-OG 2.89Å; D330-N334 WeakPolarHBondContact O-CA 3.45Å; D330-N334 PolarHBondContact O-N 2.65Å; D330-R335 PolarHBondContact N-O 2.89Å; D330-I337 HydrophobicContact CB-CD1 3.85Å; D330-I337 HydrophobicContact CB-CG1 3.9Å
331	G	96.3	Very high	97.9	Very high	9 Å²	9	42.2 Å²	42.2	9%	0.093	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-19	-174.2	0	0	0	0	0	115	N315	N315-G331 PolarHBondContact O-N 3.04Å
332	V	95.4	Very high	97.7	Very high	126 Å²	126	49.4 Å²	49.4	76%	0.764	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-48.2	-174.4	-179.7	0	0	0	0	111.2	D330	D330-V332 VanDerWaalsContact C-N 3.26Å; D330-V332 PolarHBondContact O-N 3.36Å; D330-V332 PolarHBondContact OD1-N 3.23Å
333	S	97.1	Very high	97.7	Very high	64 Å²	64	46 Å²	46	45%	0.448	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-15.1	179.1	66.8	0	0	0	0	113.1	D330 R335	D330-S333 VanDerWaalsContact CB-OG 3.26Å; D330-S333 WeakPolarHBondContact CB-OG 3.43Å; D330-S333 PolarHBondContact OD1-N 2.78Å; D330-S333 PolarHBondContact OD1-OG 2.89Å; S333-R335 PolarHBondContact O-N 3.26Å; S333-R335 VanDerWaalsContact O-N 3.12Å; S333-R335 PolarHBondContact OG-N 3.27Å
334	N	97.9	Very high	97.6	Very high	31 Å²	31	44.3 Å²	44.3	17%	0.166	23%	0.234	C	C	.	.			trans	55.6	22.7	-174.2	-59.5	106.2	0	0	0	114	S294 Y317 D330	S294-N334 VanDerWaalsContact CB-O 3.29Å; S294-N334 WeakPolarHBondContact CB-O 3.45Å; Y317-N334 WeakPolarHBondContact OH-CA 3.43Å; Y317-N334 PolarHBondContact OH-ND2 2.89Å; D330-N334 WeakPolarHBondContact O-CA 3.45Å; D330-N334 PolarHBondContact O-N 2.65Å
335	R	98.3	Very high	97.4	Very high	92 Å²	92	49.8 Å²	49.8	35%	0.347	26%	0.263	S	S	.	.			trans	-86.7	145.8	175.5	-63.7	-61	-53.4	-80.9	-8.9	110.7	S294 N296 D299 W329 D330 S333 I337	S294-R335 WeakPolarHBondContact OG-CD 3.49Å; N296-R335 PolarHBondContact ND2-NH2 3.04Å; D299-R335 IonicContact OD1-CZ 2.75Å; D299-R335 IonicContact OD1-NE 3.35Å; D299-R335 IonicContact OD1-NH2 2.73Å; D299-R335 PolarHBondContact OD1-NH2 3.26Å; D299-R335 WeakPolarHBondContact OD2-CA 3.43Å; D299-R335 WeakPolarHBondContact OD2-CD 3.42Å; D299-R335 IonicContact OD2-CZ 3.22Å; D299-R335 IonicContact OD2-NE 3.37Å; D299-R335 PolarHBondContact OD2-NE 3.02Å; D299-R335 IonicContact OD2-NH2 3.07Å; W329-R335 WeakPolarHBondContact CA-O 3.25Å; D330-R335 PolarHBondContact N-O 2.89Å; S333-R335 PolarHBondContact O-N 3.26Å; S333-R335 VanDerWaalsContact O-N 3.12Å; S333-R335 PolarHBondContact OG-N 3.27Å; R335-I337 PolarHBondContact O-N 3.45Å
336	C	98.4	Very high	97.1	Very high	24 Å²	24	51.2 Å²	51.2	16%	0.162	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	120.4	170.6	178.8	0	0	0	0	109.2	D299 W329 T339	D299-C336 HydrophobicContact CB-CB 3.62Å; D299-C336 PolarHBondContact OD2-N 3.4Å; W329-C336 HydrophobicContact CD2-CB 4.23Å; W329-C336 HydrophobicContact CE3-CB 3.91Å; W329-C336 HydrophobicContact CH2-CB 4.3Å; W329-C336 HydrophobicContact CZ3-CB 3.95Å; C336-T339 PolarHBondContact SG-OG1 3.07Å
337	I	97.3	Very high	96.9	Very high	87 Å²	87	51.9 Å²	51.9	45%	0.446	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-51.6	176.4	-55.5	170.8	0	0	0	109.4	M316 L328 D330 R335	M316-I337 HydrophobicContact CG-CD1 4.31Å; M316-I337 HydrophobicContact SD-CD1 4.5Å; L328-I337 HydrophobicContact CG-CB 4.47Å; L328-I337 HydrophobicContact CG-CD1 4.31Å; L328-I337 PolarHBondContact O-N 2.84Å; D330-I337 HydrophobicContact CB-CD1 3.85Å; D330-I337 HydrophobicContact CB-CG1 3.9Å; R335-I337 PolarHBondContact O-N 3.45Å
338	T	97.1	Very high	96.8	Very high	45 Å²	45	53.7 Å²	53.7	28%	0.276	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	136.5	-172.5	-52.4	0	0	0	0	110.3	K327 L328 F340	K327-T338 WeakPolarHBondContact CA-O 3.5Å; L328-T338 PolarHBondContact N-O 2.88Å; L328-T338 PolarHBondContact O-N 3.16Å; T338-F340 HydrophobicContact CG2-CD2 4.4Å; T338-F340 HydrophobicContact CG2-CE1 4.46Å; T338-F340 HydrophobicContact CG2-CE2 4.08Å; T338-F340 HydrophobicContact CG2-CZ 4.11Å
339	T	98.1	Very high	96.8	Very high	51 Å²	51	53.6 Å²	53.6	31%	0.313	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.1	168.1	-60.5	0	0	0	0	109	C325 K327 C336 E341	C325-T339 HydrophobicContact CB-CG2 4.1Å; K327-T339 HydrophobicContact CG-CG2 4.06Å; K327-T339 PolarHBondContact NZ-OG1 2.85Å; C336-T339 PolarHBondContact SG-OG1 3.07Å; T339-E341 HydrophobicContact CG2-CG 3.96Å; T339-E341 PolarHBondContact O-N 3.46Å
340	F	97.7	Very high	96.7	Very high	9 Å²	9	53.6 Å²	53.6	4%	0.039	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	90.7	171.7	-53.3	-99.3	0	0	0	108.1	C325 I326 L328 T338 A343 I361 W373 G378	C325-F340 WeakPolarHBondContact CA-O 3.28Å; I326-F340 HydrophobicContact CB-CB 4.05Å; I326-F340 HydrophobicContact CB-CD2 3.85Å; I326-F340 HydrophobicContact CB-CG 4.28Å; I326-F340 HydrophobicContact CG2-CD2 3.83Å; I326-F340 HydrophobicContact CG2-CE2 4.28Å; I326-F340 PolarHBondContact N-O 3.12Å; I326-F340 WeakPolarHBondContact O-CD2 3.26Å; I326-F340 PolarHBondContact O-N 3.32Å; L328-F340 HydrophobicContact CB-CE2 4.17Å; T338-F340 HydrophobicContact CG2-CD2 4.4Å; T338-F340 HydrophobicContact CG2-CE1 4.46Å; T338-F340 HydrophobicContact CG2-CE2 4.08Å; T338-F340 HydrophobicContact CG2-CZ 4.11Å; F340-A343 HydrophobicContact CB-CB 4.34Å; F340-I361 HydrophobicContact CE2-CD1 4.05Å; F340-I361 HydrophobicContact CZ-CD1 4.19Å; F340-W373 HydrophobicContact CB-CZ3 4.44Å; F340-W373 HydrophobicContact CD1-CD2 4.24Å; F340-W373 AromaticContact CD1-CE3 3.57Å; F340-W373 HydrophobicContact CD1-CE3 3.57Å; F340-W373 AromaticContact CD1-CZ3 3.92Å; F340-W373 HydrophobicContact CD1-CZ3 3.92Å; F340-W373 HydrophobicContact CE1-CB 4.41Å; F340-W373 AromaticContact CE1-CE3 3.98Å; F340-W373 HydrophobicContact CE1-CE3 3.98Å; F340-W373 HydrophobicContact CG-CE3 4.4Å; F340-G378 WeakPolarHBondContact CD1-O 3.42Å; F340-G378 WeakPolarHBondContact CE1-O 3.27Å
341	E	96.9	Very high	96.7	Very high	152 Å²	152	51.2 Å²	51.2	71%	0.71	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	143.1	-179.8	-66.3	-178.5	-137.1	0	0	111.8	T339 A343	T339-E341 HydrophobicContact CG2-CG 3.96Å; T339-E341 PolarHBondContact O-N 3.46Å; E341-A343 PolarHBondContact O-N 2.87Å; E341-A343 VanDerWaalsContact O-N 3.13Å
342	K	96	Very high	96.8	Very high	151 Å²	151	50.8 Å²	50.8	66%	0.657	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	41.3	-178.6	-59.1	-179.1	-179.9	177.4	0	111.8	G324 H344 D345	G324-K342 CarbonylContact O-C 3.55Å; K342-H344 PolarHBondContact O-N 2.78Å; K342-D345 PolarHBondContact O-N 3.29Å
343	A	96.9	Very high	96.9	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.008	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-36.5	-175.6	0	0	0	0	0	111.8	G324 I326 F340 E341 V349 K371 W373	G324-A343 PolarHBondContact O-N 3.32Å; I326-A343 HydrophobicContact CB-CB 4.4Å; I326-A343 HydrophobicContact CD1-CB 3.64Å; I326-A343 HydrophobicContact CG1-CB 3.75Å; F340-A343 HydrophobicContact CB-CB 4.34Å; E341-A343 PolarHBondContact O-N 2.87Å; E341-A343 VanDerWaalsContact O-N 3.13Å; A343-V349 HydrophobicContact CB-CG2 4.25Å; A343-K371 VanDerWaalsContact O-CD 3.3Å; A343-K371 WeakPolarHBondContact O-CD 3.48Å; A343-K371 WeakPolarHBondContact O-CE 2.98Å; A343-K371 PolarHBondContact O-NZ 3.15Å; A343-W373 HydrophobicContact CB-CH2 3.98Å; A343-W373 HydrophobicContact CB-CZ2 3.73Å; A343-W373 VanDerWaalsContact O-CZ2 3.29Å; A343-W373 WeakPolarHBondContact O-CZ2 3.08Å
344	H	96.4	Very high	97	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	46.4	176.7	-76	-90.5	0	0	0	112	K342 G346 A347 S363 G365 D367 V369	K342-H344 PolarHBondContact O-N 2.78Å; H344-G346 PolarHBondContact O-N 3.46Å; H344-G346 VanDerWaalsContact O-N 3.12Å; H344-A347 HydrophobicContact CB-CB 4.4Å; H344-A347 VanDerWaalsContact O-CB 3.23Å; H344-A347 WeakPolarHBondContact O-CB 3.19Å; H344-A347 PolarHBondContact O-N 2.88Å; H344-S363 PolarHBondContact NE2-OG 3.08Å; H344-G365 PolarHBondContact CE1-N 3.45Å; H344-G365 VanDerWaalsContact CE1-N 3.32Å; H344-G365 PolarHBondContact ND1-N 2.96Å; H344-D367 WeakPolarHBondContact CA-OD2 3.42Å; H344-D367 WeakPolarHBondContact CB-OD2 3.2Å; H344-D367 IonicContact CE1-OD1 2.77Å; H344-D367 IonicContact CG-OD1 3.94Å; H344-D367 IonicContact CG-OD2 3.02Å; H344-D367 VanDerWaalsContact ND1-CG 3.3Å; H344-D367 IonicContact ND1-OD1 3.36Å; H344-D367 PolarHBondContact ND1-OD1 3.48Å; H344-D367 IonicContact ND1-OD2 2.74Å; H344-D367 PolarHBondContact ND1-OD2 2.98Å; H344-D367 VanDerWaalsContact ND1-OD2 3.08Å; H344-V369 PolarHBondContact CE1-O 3.23Å; H344-V369 PolarHBondContact ND1-O 3.27Å
345	D	94	Very high	96.9	Very high	114 Å²	114	43 Å²	43	61%	0.61	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	34	178.3	-58	-23.5	0	0	0	113	K342 A347 K371	K342-D345 PolarHBondContact O-N 3.29Å; D345-A347 VanDerWaalsContact C-N 3.34Å; D345-K371 IonicContact OD1-NZ 2.99Å
346	G	91.9	Very high	96.5	Very high	47 Å²	47	41.6 Å²	41.6	49%	0.485	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-2.3	-177.6	0	0	0	0	0	115.1	H344	H344-G346 PolarHBondContact O-N 3.46Å; H344-G346 VanDerWaalsContact O-N 3.12Å
347	A	95.2	Very high	96	Very high	15 Å²	15	42.5 Å²	42.5	12%	0.124	23%	0.225	C	C	.	.	S	Bend	trans	-74.8	153.6	169.8	0	0	0	0	0	111.3	G324 H344 D345 V349 K366 D367	G324-A347 VanDerWaalsContact CA-O 3.32Å; G324-A347 WeakPolarHBondContact CA-O 3.42Å; H344-A347 HydrophobicContact CB-CB 4.4Å; H344-A347 VanDerWaalsContact O-CB 3.23Å; H344-A347 WeakPolarHBondContact O-CB 3.19Å; H344-A347 PolarHBondContact O-N 2.88Å; D345-A347 VanDerWaalsContact C-N 3.34Å; A347-V349 PolarHBondContact O-N 2.96Å; A347-K366 HydrophobicContact CB-CB 4.21Å; A347-D367 HydrophobicContact CB-CB 4.09Å
348	E	96.8	Very high	95.7	Very high	53 Å²	53	39.1 Å²	39.1	25%	0.248	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-56.8	131.8	178.5	-57.6	165.7	-148.2	0	0	111.3	K322 G365 K366	K322-E348 HydrophobicContact CB-CG 4.11Å; K322-E348 HydrophobicContact CG-CB 4.43Å; K322-E348 HydrophobicContact CG-CG 4.03Å; E348-G365 CarbonylContact O-C 3.48Å; E348-G365 WeakPolarHBondContact O-CA 3.27Å; E348-K366 HydrophobicContact CB-CD 4.16Å; E348-K366 HydrophobicContact CB-CG 4.21Å; E348-K366 HydrophobicContact CG-CD 4.28Å; E348-K366 PolarHBondContact O-N 2.92Å; E348-K366 IonicContact OE1-NZ 3.58Å; E348-K366 PolarHBondContact OE1-NZ 2.8Å; E348-K366 WeakPolarHBondContact OE2-CD 3.2Å; E348-K366 WeakPolarHBondContact OE2-CE 3.44Å; E348-K366 IonicContact OE2-NZ 3.08Å; E348-K366 PolarHBondContact OE2-NZ 3.13Å
349	V	98.2	Very high	95.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	119.9	174.2	-174.1	0	0	0	0	108.8	C306 S321 I326 A343 A347	C306-V349 WeakPolarHBondContact CB-O 3.37Å; S321-V349 PolarHBondContact O-N 3.46Å; I326-V349 HydrophobicContact CD1-CG1 4.47Å; I326-V349 HydrophobicContact CG1-CG1 3.84Å; I326-V349 HydrophobicContact CG1-CG2 4.17Å; A343-V349 HydrophobicContact CB-CG2 4.25Å; A347-V349 PolarHBondContact O-N 2.96Å
350	C	97.3	Very high	95.3	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.014	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-40.2	-171.1	-72.5	0	0	0	0	113.2	S364 R396 T397	C350-S364 PolarHBondContact N-O 2.98Å; C350-R396 HydrophobicContact CB-CG 3.75Å; C350-T397 VanDerWaalsContact CB-O 3.23Å; C350-T397 WeakPolarHBondContact CB-O 3.48Å
351	S	97.5	Very high	95.3	Very high	3 Å²	3	37 Å²	37	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	150.5	175.5	73.3	0	0	0	0	111.2	S307 S363 S364 A399	S307-S351 WeakPolarHBondContact OG-CA 3.49Å; S351-S363 CarbonylContact O-C 3.55Å; S351-S363 WeakPolarHBondContact O-CA 3.38Å; S351-S363 WeakPolarHBondContact O-CB 3.32Å; S351-S364 PolarHBondContact N-O 3.25Å; S351-S364 PolarHBondContact O-N 2.95Å; S351-S364 PolarHBondContact OG-OG 3.25Å; S351-A399 PolarHBondContact OG-N 2.75Å; S351-A399 VanDerWaalsContact OG-N 3.11Å
352	A	98.4	Very high	95.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	125.7	167.9	0	0	0	0	0	108.8	S307 N309 V318 I326 I361 L362	S307-A352 PolarHBondContact OG-N 2.94Å; S307-A352 VanDerWaalsContact OG-N 3.12Å; N309-A352 PolarHBondContact ND2-O 3.31Å; V318-A352 HydrophobicContact CG1-CB 4.03Å; V318-A352 WeakPolarHBondContact CG1-O 3.49Å; V318-A352 HydrophobicContact CG2-CB 3.77Å; I326-A352 HydrophobicContact CG2-CB 4.47Å; A352-I361 HydrophobicContact CB-CG2 4.18Å; A352-L362 CarbonylContact C-O 3.45Å; A352-L362 WeakPolarHBondContact CA-O 3.33Å
353	I	98.3	Very high	95.5	Very high	35 Å²	35	22.5 Å²	22.5	18%	0.179	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.2	179.3	62.4	174.1	0	0	0	110.2	I361 L362 F401	I353-I361 CarbonylContact O-C 3.54Å; I353-I361 VanDerWaalsContact O-CA 3.29Å; I353-I361 WeakPolarHBondContact O-CA 3.18Å; I353-L362 HydrophobicContact CD1-CD2 4.2Å; I353-L362 HydrophobicContact CG1-CB 3.95Å; I353-L362 HydrophobicContact CG1-CD2 4.42Å; I353-L362 PolarHBondContact N-O 3.26Å; I353-L362 PolarHBondContact O-N 2.93Å; I353-F401 HydrophobicContact CD1-CD2 4.06Å
354	F	97.6	Very high	95.5	Very high	20 Å²	20	22.5 Å²	22.5	9%	0.088	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	152.3	173.9	-71.8	-88.8	0	0	0	111.7	N311 M316 V318 L328 Y360 I361 I375	N311-F354 HydrophobicContact CB-CB 4.14Å; N311-F354 HydrophobicContact CB-CD1 3.99Å; N311-F354 HydrophobicContact CB-CD2 3.56Å; N311-F354 HydrophobicContact CB-CE1 4.25Å; N311-F354 HydrophobicContact CB-CE2 3.85Å; N311-F354 HydrophobicContact CB-CG 3.63Å; N311-F354 HydrophobicContact CB-CZ 4.19Å; M316-F354 HydrophobicContact CB-CE1 4.3Å; M316-F354 HydrophobicContact CB-CZ 3.92Å; V318-F354 HydrophobicContact CB-CD2 4.41Å; V318-F354 HydrophobicContact CB-CE2 3.63Å; V318-F354 HydrophobicContact CB-CZ 3.85Å; V318-F354 HydrophobicContact CG1-CD2 3.86Å; V318-F354 HydrophobicContact CG1-CE2 3.52Å; V318-F354 HydrophobicContact CG1-CZ 4.21Å; L328-F354 HydrophobicContact CD1-CE1 3.79Å; L328-F354 HydrophobicContact CD1-CZ 3.54Å; F354-Y360 WeakPolarHBondContact CA-O 3.29Å; F354-I361 HydrophobicContact CD1-CG1 4.25Å; F354-I361 HydrophobicContact CE1-CG1 4.2Å; F354-I375 HydrophobicContact CD1-CD1 3.73Å; F354-I375 HydrophobicContact CE1-CD1 3.57Å
355	S	95.8	Very high	95.4	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.014	13%	0.127	C	C	.	.			trans	-67.6	158.5	154.4	59.4	0	0	0	0	110.8	N357 S358 K359 Y360 E405	S355-N357 VanDerWaalsContact C-N 3.29Å; S355-N357 PolarHBondContact O-N 2.83Å; S355-N357 PolarHBondContact OG-OD1 3.01Å; S355-S358 WeakPolarHBondContact O-CA 3.38Å; S355-S358 PolarHBondContact O-N 2.93Å; S355-K359 PolarHBondContact OG-N 2.87Å; S355-Y360 PolarHBondContact N-O 3.21Å; S355-Y360 PolarHBondContact OG-N 3.43Å; S355-Y360 PolarHBondContact OG-O 3.05Å; S355-E405 VanDerWaalsContact CA-OE1 3.23Å; S355-E405 WeakPolarHBondContact CA-OE1 3.49Å; S355-E405 WeakPolarHBondContact CB-OE2 3.39Å
356	K	90.7	Very high	95.4	Very high	62 Å²	62	19.4 Å²	19.4	27%	0.27	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-39.4	-178.5	-79.4	171.9	178.1	-168.1	0	113.2	P117 G118 S312 S358 H403 E405 P447	P117-K356 VanDerWaalsContact CB-NZ 3.29Å; G118-K356 WeakPolarHBondContact O-CD 3.32Å; S312-K356 PolarHBondContact OG-O 2.93Å; K356-S358 PolarHBondContact O-N 3.15Å; K356-H403 WeakPolarHBondContact CE-O 3.29Å; K356-H403 PolarHBondContact NZ-O 2.94Å; K356-E405 HydrophobicContact CD-CG 4.4Å; K356-E405 WeakPolarHBondContact CG-OE1 3.22Å; K356-E405 VanDerWaalsContact N-CD 3.31Å; K356-E405 PolarHBondContact N-OE1 2.96Å; K356-E405 PolarHBondContact N-OE2 2.88Å; K356-E405 VanDerWaalsContact N-OE2 3.14Å; K356-P447 PolarHBondContact NZ-O 3.04Å
357	N	87.8	Confident	95.4	Very high	43 Å²	43	18.4 Å²	18.4	23%	0.23	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-2.3	176.1	65.4	9.2	0	0	0	113.6	I121 S355 K359	I121-N357 PolarHBondContact O-ND2 3.48Å; S355-N357 VanDerWaalsContact C-N 3.29Å; S355-N357 PolarHBondContact O-N 2.83Å; S355-N357 PolarHBondContact OG-OD1 3.01Å; N357-K359 HydrophobicContact CB-CG 4.38Å; N357-K359 PolarHBondContact O-N 3.29Å; N357-K359 VanDerWaalsContact O-N 3.12Å; N357-K359 WeakPolarHBondContact OD1-CB 3.46Å; N357-K359 PolarHBondContact OD1-N 3.16Å
358	S	91.9	Very high	95.3	Very high	17 Å²	17	18 Å²	18	12%	0.119	9%	0.088	C	C	.	.	S	Bend	trans	56.8	21.7	-178.3	-52.7	0	0	0	0	114.8	N311 S355 K356 I375	N311-S358 WeakPolarHBondContact CB-OG 3.46Å; N311-S358 WeakPolarHBondContact ND2-CB 3.39Å; N311-S358 PolarHBondContact ND2-OG 2.94Å; S355-S358 WeakPolarHBondContact O-CA 3.38Å; S355-S358 PolarHBondContact O-N 2.93Å; K356-S358 PolarHBondContact O-N 3.15Å; S358-I375 WeakPolarHBondContact O-CD1 3.28Å
359	K	90.6	Very high	95.1	Very high	57 Å²	57	16.6 Å²	16.6	25%	0.248	8%	0.083	C	C	.	.	S	Bend	trans	-85.8	-26.2	173.5	-65.4	-172.4	-177.7	-178.8	0	112.5	D122 E124 S355 N357 I375	D122-K359 VanDerWaalsContact CG-NZ 3.25Å; D122-K359 IonicContact OD1-NZ 3.94Å; D122-K359 PolarHBondContact OD1-NZ 3.17Å; D122-K359 IonicContact OD2-NZ 3.38Å; D122-K359 PolarHBondContact OD2-NZ 3.08Å; E124-K359 IonicContact OE1-NZ 3.98Å; E124-K359 IonicContact OE2-NZ 3.86Å; E124-K359 PolarHBondContact OE2-NZ 3Å; S355-K359 PolarHBondContact OG-N 2.87Å; N357-K359 HydrophobicContact CB-CG 4.38Å; N357-K359 PolarHBondContact O-N 3.29Å; N357-K359 VanDerWaalsContact O-N 3.12Å; N357-K359 WeakPolarHBondContact OD1-CB 3.46Å; N357-K359 PolarHBondContact OD1-N 3.16Å; K359-I375 WeakPolarHBondContact O-CB 3.34Å; K359-I375 PolarHBondContact O-N 3.17Å
360	Y	95.5	Very high	95	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.008	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	154.2	-173.6	-48.6	-72.7	0	0	0	113.1	I121 L123 F354 S355 L372 W373 E374 L381	I121-Y360 HydrophobicContact CG2-CD2 3.84Å; I121-Y360 HydrophobicContact CG2-CE2 4.37Å; I121-Y360 WeakPolarHBondContact O-CD2 3.39Å; I121-Y360 WeakPolarHBondContact O-CE2 3.35Å; L123-Y360 HydrophobicContact CD1-CE1 4.4Å; L123-Y360 PolarHBondContact N-OH 3.23Å; L123-Y360 VanDerWaalsContact N-OH 3.11Å; F354-Y360 WeakPolarHBondContact CA-O 3.29Å; S355-Y360 PolarHBondContact N-O 3.21Å; S355-Y360 PolarHBondContact OG-N 3.43Å; S355-Y360 PolarHBondContact OG-O 3.05Å; Y360-L372 HydrophobicContact CG-CD1 4.48Å; Y360-L372 HydrophobicContact CG-CG 4.46Å; Y360-W373 CarbonylContact C-O 3.56Å; Y360-W373 WeakPolarHBondContact CA-O 3.36Å; Y360-W373 WeakPolarHBondContact CB-O 3.1Å; Y360-E374 HydrophobicContact CD1-CB 4.49Å; Y360-E374 HydrophobicContact CD1-CG 4.32Å; Y360-E374 HydrophobicContact CE1-CG 4.01Å; Y360-L381 HydrophobicContact CD1-CD1 3.6Å; Y360-L381 HydrophobicContact CE1-CD1 3.4Å
361	I	98.3	Very high	95	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127	168.2	-61.1	163.7	0	0	0	107.7	V318 L328 F340 A352 I353 F354 L372 W373 I375	V318-I361 HydrophobicContact CG2-CD1 3.93Å; V318-I361 HydrophobicContact CG2-CG1 4.42Å; V318-I361 HydrophobicContact CG2-CG2 4.06Å; L328-I361 HydrophobicContact CD1-CD1 4.37Å; F340-I361 HydrophobicContact CE2-CD1 4.05Å; F340-I361 HydrophobicContact CZ-CD1 4.19Å; A352-I361 HydrophobicContact CB-CG2 4.18Å; I353-I361 CarbonylContact O-C 3.54Å; I353-I361 VanDerWaalsContact O-CA 3.29Å; I353-I361 WeakPolarHBondContact O-CA 3.18Å; F354-I361 HydrophobicContact CD1-CG1 4.25Å; F354-I361 HydrophobicContact CE1-CG1 4.2Å; I361-L372 CarbonylContact O-C 3.54Å; I361-L372 WeakPolarHBondContact O-CA 3.06Å; I361-W373 HydrophobicContact CB-CB 4.21Å; I361-W373 PolarHBondContact N-O 2.9Å; I361-W373 PolarHBondContact O-N 3.45Å; I361-I375 HydrophobicContact CD1-CD1 4.3Å; I361-I375 HydrophobicContact CD1-CG1 3.84Å; I361-I375 HydrophobicContact CG1-CD1 3.92Å; I361-I375 HydrophobicContact CG1-CG1 3.84Å
362	L	98.5	Very high	95	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.6	166	176.3	66.3	0	0	0	108.8	A352 I353 A370 K371 L372 Y384 A399 F401 V408	A352-L362 CarbonylContact C-O 3.45Å; A352-L362 WeakPolarHBondContact CA-O 3.33Å; I353-L362 HydrophobicContact CD1-CD2 4.2Å; I353-L362 HydrophobicContact CG1-CB 3.95Å; I353-L362 HydrophobicContact CG1-CD2 4.42Å; I353-L362 PolarHBondContact N-O 3.26Å; I353-L362 PolarHBondContact O-N 2.93Å; L362-A370 HydrophobicContact CD1-CB 4.37Å; L362-K371 WeakPolarHBondContact CA-O 3.26Å; L362-L372 HydrophobicContact CB-CD1 4.29Å; L362-Y384 HydrophobicContact CD1-CD2 4.27Å; L362-Y384 HydrophobicContact CD1-CE2 3.8Å; L362-A399 HydrophobicContact CD1-CB 4.44Å; L362-A399 HydrophobicContact CD2-CB 4.17Å; L362-A399 HydrophobicContact CG-CB 4.16Å; L362-F401 HydrophobicContact CB-CD2 4.27Å; L362-F401 HydrophobicContact CB-CE2 3.52Å; L362-F401 HydrophobicContact CB-CZ 3.69Å; L362-F401 HydrophobicContact CD2-CD1 4.08Å; L362-F401 HydrophobicContact CD2-CD2 3.93Å; L362-F401 HydrophobicContact CD2-CE1 4.06Å; L362-F401 HydrophobicContact CD2-CE2 3.9Å; L362-F401 HydrophobicContact CD2-CG 4.03Å; L362-F401 HydrophobicContact CD2-CZ 3.97Å; L362-F401 HydrophobicContact CG-CE2 4.33Å; L362-F401 HydrophobicContact CG-CZ 4.31Å; L362-V408 HydrophobicContact CD1-CG1 3.92Å; L362-V408 HydrophobicContact CD1-CG2 3.95Å; L362-V408 HydrophobicContact CD2-CG1 4.08Å; L362-V408 HydrophobicContact CD2-CG2 4.03Å
363	S	98.3	Very high	94.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	157.6	176.9	71.7	0	0	0	0	112.8	I326 H344 S351 A370 K371 W373	I326-S363 VanDerWaalsContact CD1-CB 3.45Å; I326-S363 WeakPolarHBondContact CD1-OG 3.21Å; H344-S363 PolarHBondContact NE2-OG 3.08Å; S351-S363 CarbonylContact O-C 3.55Å; S351-S363 WeakPolarHBondContact O-CA 3.38Å; S351-S363 WeakPolarHBondContact O-CB 3.32Å; S363-A370 CarbonylContact O-C 3.47Å; S363-A370 WeakPolarHBondContact O-CA 3.36Å; S363-K371 PolarHBondContact N-O 3.36Å; S363-K371 PolarHBondContact O-N 3.01Å; S363-W373 PolarHBondContact OG-NE1 3.42Å
364	S	96.9	Very high	94.6	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.007	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150.5	168.1	65.7	0	0	0	0	110.7	C350 S351 T397 A399	C350-S364 PolarHBondContact N-O 2.98Å; S351-S364 PolarHBondContact N-O 3.25Å; S351-S364 PolarHBondContact O-N 2.95Å; S351-S364 PolarHBondContact OG-OG 3.25Å; S364-T397 PolarHBondContact OG-O 3.15Å; S364-A399 PolarHBondContact OG-N 3.13Å
365	G	95	Very high	94.3	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.01	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	174	177.9	0	0	0	0	0	112.7	H344 E348 D367 S368	H344-G365 PolarHBondContact CE1-N 3.45Å; H344-G365 VanDerWaalsContact CE1-N 3.32Å; H344-G365 PolarHBondContact ND1-N 2.96Å; E348-G365 CarbonylContact O-C 3.48Å; E348-G365 WeakPolarHBondContact O-CA 3.27Å; G365-D367 PolarHBondContact O-N 3.26Å; G365-D367 VanDerWaalsContact O-N 3.17Å; G365-S368 PolarHBondContact O-N 3.13Å; G365-S368 VanDerWaalsContact O-N 3.16Å
366	K	93.9	Very high	93.9	Very high	47 Å²	47	21.7 Å²	21.7	20%	0.204	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-2.6	174	-74.1	-166.4	176.7	171.9	0	114.2	A347 E348 S368 Q393 V394	A347-K366 HydrophobicContact CB-CB 4.21Å; E348-K366 HydrophobicContact CB-CD 4.16Å; E348-K366 HydrophobicContact CB-CG 4.21Å; E348-K366 HydrophobicContact CG-CD 4.28Å; E348-K366 PolarHBondContact O-N 2.92Å; E348-K366 IonicContact OE1-NZ 3.58Å; E348-K366 PolarHBondContact OE1-NZ 2.8Å; E348-K366 WeakPolarHBondContact OE2-CD 3.2Å; E348-K366 WeakPolarHBondContact OE2-CE 3.44Å; E348-K366 IonicContact OE2-NZ 3.08Å; E348-K366 PolarHBondContact OE2-NZ 3.13Å; K366-S368 PolarHBondContact O-N 3.19Å; K366-Q393 PolarHBondContact O-N 2.86Å; K366-V394 VanDerWaalsContact CE-O 3.3Å; K366-V394 WeakPolarHBondContact CE-O 3.36Å; K366-V394 PolarHBondContact NZ-O 3.17Å
367	D	91.8	Very high	93.6	Very high	26 Å²	26	22.3 Å²	22.3	14%	0.139	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	0.3	167.2	65.2	-14.8	0	0	0	112.9	H344 A347 G365 V369 K371	H344-D367 WeakPolarHBondContact CA-OD2 3.42Å; H344-D367 WeakPolarHBondContact CB-OD2 3.2Å; H344-D367 IonicContact CE1-OD1 2.77Å; H344-D367 IonicContact CG-OD1 3.94Å; H344-D367 IonicContact CG-OD2 3.02Å; H344-D367 VanDerWaalsContact ND1-CG 3.3Å; H344-D367 IonicContact ND1-OD1 3.36Å; H344-D367 PolarHBondContact ND1-OD1 3.48Å; H344-D367 IonicContact ND1-OD2 2.74Å; H344-D367 PolarHBondContact ND1-OD2 2.98Å; H344-D367 VanDerWaalsContact ND1-OD2 3.08Å; A347-D367 HydrophobicContact CB-CB 4.09Å; G365-D367 PolarHBondContact O-N 3.26Å; G365-D367 VanDerWaalsContact O-N 3.17Å; D367-V369 PolarHBondContact O-N 3Å; D367-V369 PolarHBondContact OD1-N 3.31Å; D367-K371 IonicContact OD2-NZ 3.79Å
368	S	91.4	Very high	93.5	Very high	7 Å²	7	21.5 Å²	21.5	5%	0.049	13%	0.126	C	C	.	.	S	Bend	trans	64	18.2	-178.6	-55.6	0	0	0	0	114.1	G365 K366 Q393	G365-S368 PolarHBondContact O-N 3.13Å; G365-S368 VanDerWaalsContact O-N 3.16Å; K366-S368 PolarHBondContact O-N 3.19Å; S368-Q393 WeakPolarHBondContact OG-CB 3.36Å; S368-Q393 PolarHBondContact OG-N 2.93Å
369	V	93	Very high	93.2	Very high	24 Å²	24	29.5 Å²	29.5	15%	0.145	15%	0.154	C	C	.	.			trans	-113.8	134.1	179.8	-179.9	0	0	0	0	108.6	H344 D367 K371 R383 T385	H344-V369 PolarHBondContact CE1-O 3.23Å; H344-V369 PolarHBondContact ND1-O 3.27Å; D367-V369 PolarHBondContact O-N 3Å; D367-V369 PolarHBondContact OD1-N 3.31Å; V369-K371 HydrophobicContact CG1-CG 3.96Å; V369-R383 HydrophobicContact CG1-CB 4.45Å; V369-T385 HydrophobicContact CG1-CG2 4.14Å; V369-T385 HydrophobicContact CG2-CG2 4.27Å
370	A	96.8	Very high	93.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	143	163.3	0	0	0	0	0	109.6	L362 S363 Y384 A399 V408 L410	L362-A370 HydrophobicContact CD1-CB 4.37Å; S363-A370 CarbonylContact O-C 3.47Å; S363-A370 WeakPolarHBondContact O-CA 3.36Å; A370-Y384 HydrophobicContact CB-CD2 3.79Å; A370-Y384 HydrophobicContact CB-CG 4.41Å; A370-Y384 PolarHBondContact N-O 3.41Å; A370-Y384 WeakPolarHBondContact O-CD2 3.47Å; A370-Y384 PolarHBondContact O-N 3.12Å; A370-A399 HydrophobicContact CB-CB 3.85Å; A370-V408 HydrophobicContact CB-CG1 4.22Å; A370-L410 HydrophobicContact CB-CD2 4.49Å
371	K	96.8	Very high	93	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.1	-176.1	-65.1	-175.4	-175.1	-179.3	0	109.8	A343 D345 L362 S363 D367 V369 W373 T380 V382 R383	A343-K371 VanDerWaalsContact O-CD 3.3Å; A343-K371 WeakPolarHBondContact O-CD 3.48Å; A343-K371 WeakPolarHBondContact O-CE 2.98Å; A343-K371 PolarHBondContact O-NZ 3.15Å; D345-K371 IonicContact OD1-NZ 2.99Å; L362-K371 WeakPolarHBondContact CA-O 3.26Å; S363-K371 PolarHBondContact N-O 3.36Å; S363-K371 PolarHBondContact O-N 3.01Å; D367-K371 IonicContact OD2-NZ 3.79Å; V369-K371 HydrophobicContact CG1-CG 3.96Å; K371-W373 HydrophobicContact CB-CZ2 4.11Å; K371-W373 HydrophobicContact CD-CH2 4.37Å; K371-W373 HydrophobicContact CD-CZ2 3.69Å; K371-T380 HydrophobicContact CB-CG2 3.92Å; K371-T380 HydrophobicContact CD-CG2 4.31Å; K371-T380 HydrophobicContact CG-CG2 4.2Å; K371-V382 WeakPolarHBondContact CA-O 3.38Å; K371-R383 HydrophobicContact CG-CG 4.43Å
372	L	97.4	Very high	92.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.3	170	-167.6	69.5	0	0	0	109	I121 L123 Y360 I361 L362 T380 L381 V382 Y384 F401	I121-L372 HydrophobicContact CD1-CD2 4.03Å; L123-L372 HydrophobicContact CD1-CD2 3.65Å; Y360-L372 HydrophobicContact CG-CD1 4.48Å; Y360-L372 HydrophobicContact CG-CG 4.46Å; I361-L372 CarbonylContact O-C 3.54Å; I361-L372 WeakPolarHBondContact O-CA 3.06Å; L362-L372 HydrophobicContact CB-CD1 4.29Å; L372-T380 CarbonylContact O-C 3.58Å; L372-T380 WeakPolarHBondContact O-CA 3.34Å; L372-L381 PolarHBondContact O-N 3.11Å; L372-V382 HydrophobicContact CB-CB 3.89Å; L372-V382 HydrophobicContact CB-CG2 4.31Å; L372-V382 HydrophobicContact CD2-CB 4.46Å; L372-V382 HydrophobicContact CD2-CG2 4.06Å; L372-V382 PolarHBondContact N-O 3.15Å; L372-V382 PolarHBondContact O-N 3.27Å; L372-Y384 HydrophobicContact CB-CE2 4.03Å; L372-F401 HydrophobicContact CD1-CE1 4.44Å; L372-F401 HydrophobicContact CD1-CZ 3.67Å
373	W	96.3	Very high	92.5	Very high	19 Å²	19	39.2 Å²	39.2	7%	0.072	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.1	-178	-53.4	81.6	0	0	0	110.2	I326 F340 A343 Y360 I361 S363 K371 R379 T380	I326-W373 HydrophobicContact CD1-CZ2 4.12Å; F340-W373 HydrophobicContact CB-CZ3 4.44Å; F340-W373 HydrophobicContact CD1-CD2 4.24Å; F340-W373 AromaticContact CD1-CE3 3.57Å; F340-W373 HydrophobicContact CD1-CE3 3.57Å; F340-W373 AromaticContact CD1-CZ3 3.92Å; F340-W373 HydrophobicContact CD1-CZ3 3.92Å; F340-W373 HydrophobicContact CE1-CB 4.41Å; F340-W373 AromaticContact CE1-CE3 3.98Å; F340-W373 HydrophobicContact CE1-CE3 3.98Å; F340-W373 HydrophobicContact CG-CE3 4.4Å; A343-W373 HydrophobicContact CB-CH2 3.98Å; A343-W373 HydrophobicContact CB-CZ2 3.73Å; A343-W373 VanDerWaalsContact O-CZ2 3.29Å; A343-W373 WeakPolarHBondContact O-CZ2 3.08Å; Y360-W373 CarbonylContact C-O 3.56Å; Y360-W373 WeakPolarHBondContact CA-O 3.36Å; Y360-W373 WeakPolarHBondContact CB-O 3.1Å; I361-W373 HydrophobicContact CB-CB 4.21Å; I361-W373 PolarHBondContact N-O 2.9Å; I361-W373 PolarHBondContact O-N 3.45Å; S363-W373 PolarHBondContact OG-NE1 3.42Å; K371-W373 HydrophobicContact CB-CZ2 4.11Å; K371-W373 HydrophobicContact CD-CH2 4.37Å; K371-W373 HydrophobicContact CD-CZ2 3.69Å; W373-R379 WeakPolarHBondContact CA-O 3.36Å; W373-T380 VanDerWaalsContact CE3-OG1 3.32Å; W373-T380 WeakPolarHBondContact CH2-OG1 3.5Å; W373-T380 WeakPolarHBondContact CZ3-OG1 3.4Å
374	E	92.8	Very high	92.3	Very high	30 Å²	30	39.2 Å²	39.2	14%	0.14	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	128.2	166.8	-154.4	-179.7	-172.6	0	0	109.9	Y360 S376 T377 G378 R379 L381	Y360-E374 HydrophobicContact CD1-CB 4.49Å; Y360-E374 HydrophobicContact CD1-CG 4.32Å; Y360-E374 HydrophobicContact CE1-CG 4.01Å; E374-S376 VanDerWaalsContact CD-OG 3.25Å; E374-S376 WeakPolarHBondContact CG-OG 3.35Å; E374-S376 PolarHBondContact OE1-OG 3.39Å; E374-S376 VanDerWaalsContact OE1-OG 3.14Å; E374-T377 WeakPolarHBondContact CB-OG1 3.45Å; E374-T377 WeakPolarHBondContact OE2-CB 3.46Å; E374-T377 WeakPolarHBondContact OE2-CG2 3.36Å; E374-T377 PolarHBondContact OE2-OG1 2.93Å; E374-G378 WeakPolarHBondContact O-CA 3.46Å; E374-G378 PolarHBondContact O-N 3.25Å; E374-R379 PolarHBondContact N-O 3.48Å; E374-L381 HydrophobicContact CB-CD1 3.45Å; E374-L381 VanDerWaalsContact CB-CD1 3.45Å; E374-L381 HydrophobicContact CB-CG 4.04Å; E374-L381 HydrophobicContact CG-CD1 3.84Å
375	I	90.3	Very high	92	Very high	27 Å²	27	43.2 Å²	43.2	14%	0.138	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-39.9	-179.2	-70.3	161.5	0	0	0	111.2	L328 F354 S358 K359 I361 T377	L328-I375 HydrophobicContact CD2-CG1 4.47Å; L328-I375 HydrophobicContact CD2-CG2 3.5Å; L328-I375 VanDerWaalsContact CD2-CG2 3.5Å; F354-I375 HydrophobicContact CD1-CD1 3.73Å; F354-I375 HydrophobicContact CE1-CD1 3.57Å; S358-I375 WeakPolarHBondContact O-CD1 3.28Å; K359-I375 WeakPolarHBondContact O-CB 3.34Å; K359-I375 PolarHBondContact O-N 3.17Å; I361-I375 HydrophobicContact CD1-CD1 4.3Å; I361-I375 HydrophobicContact CD1-CG1 3.84Å; I361-I375 HydrophobicContact CG1-CD1 3.92Å; I361-I375 HydrophobicContact CG1-CG1 3.84Å; I375-T377 PolarHBondContact O-N 3.03Å
376	S	87.6	Confident	91.3	Very high	91 Å²	91	43.8 Å²	43.8	64%	0.636	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-42.2	-177.3	57.7	0	0	0	0	112.6	E374	E374-S376 VanDerWaalsContact CD-OG 3.25Å; E374-S376 WeakPolarHBondContact CG-OG 3.35Å; E374-S376 PolarHBondContact OE1-OG 3.39Å; E374-S376 VanDerWaalsContact OE1-OG 3.14Å
377	T	85.4	Confident	90.5	Very high	75 Å²	75	42 Å²	42	46%	0.46	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-16.3	-177.6	67.7	0	0	0	0	113.5	E374 I375 R379	E374-T377 WeakPolarHBondContact CB-OG1 3.45Å; E374-T377 WeakPolarHBondContact OE2-CB 3.46Å; E374-T377 WeakPolarHBondContact OE2-CG2 3.36Å; E374-T377 PolarHBondContact OE2-OG1 2.93Å; I375-T377 PolarHBondContact O-N 3.03Å; T377-R379 PolarHBondContact O-N 3.37Å; T377-R379 PolarHBondContact OG1-N 3.15Å
378	G	85.8	Confident	89.1	Confident	26 Å²	26	41.3 Å²	41.3	27%	0.268	22%	0.224	S	C	.	.			trans	71.5	15.4	-177.1	0	0	0	0	0	113.8	F340 E374	F340-G378 WeakPolarHBondContact CD1-O 3.42Å; F340-G378 WeakPolarHBondContact CE1-O 3.27Å; E374-G378 WeakPolarHBondContact O-CA 3.46Å; E374-G378 PolarHBondContact O-N 3.25Å
379	R	84.8	Confident	87.4	Confident	186 Å²	186	46.2 Å²	46.2	70%	0.702	25%	0.249	S	C	*	.	S	Bend	trans	-112.9	154	-172.8	-67.6	-178.9	175.8	178.2	-0.4	112.5	W373 E374 T377 L381	W373-R379 WeakPolarHBondContact CA-O 3.36Å; E374-R379 PolarHBondContact N-O 3.48Å; T377-R379 PolarHBondContact O-N 3.37Å; T377-R379 PolarHBondContact OG1-N 3.15Å; R379-L381 PolarHBondContact O-N 3.43Å
380	T	92.1	Very high	85.5	Confident	40 Å²	40	49.6 Å²	49.6	25%	0.245	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	122	168.9	-46.5	0	0	0	0	109.7	K371 L372 W373 V382 R383	K371-T380 HydrophobicContact CB-CG2 3.92Å; K371-T380 HydrophobicContact CD-CG2 4.31Å; K371-T380 HydrophobicContact CG-CG2 4.2Å; L372-T380 CarbonylContact O-C 3.58Å; L372-T380 WeakPolarHBondContact O-CA 3.34Å; W373-T380 VanDerWaalsContact CE3-OG1 3.32Å; W373-T380 WeakPolarHBondContact CH2-OG1 3.5Å; W373-T380 WeakPolarHBondContact CZ3-OG1 3.4Å; T380-V382 WeakPolarHBondContact CG2-O 3.34Å; T380-R383 HydrophobicContact CG2-CG 3.93Å
381	L	89.4	Confident	83.7	Confident	82 Å²	82	52 Å²	52	43%	0.429	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-48.8	173.5	-77.2	153.4	0	0	0	111.3	L123 Y360 L372 E374 R379	L123-L381 HydrophobicContact CD1-CB 4.42Å; L123-L381 HydrophobicContact CD1-CD1 4.13Å; Y360-L381 HydrophobicContact CD1-CD1 3.6Å; Y360-L381 HydrophobicContact CE1-CD1 3.4Å; L372-L381 PolarHBondContact O-N 3.11Å; E374-L381 HydrophobicContact CB-CD1 3.45Å; E374-L381 VanDerWaalsContact CB-CD1 3.45Å; E374-L381 HydrophobicContact CB-CG 4.04Å; E374-L381 HydrophobicContact CG-CD1 3.84Å; R379-L381 PolarHBondContact O-N 3.43Å
382	V	92.2	Very high	82.3	Confident	16 Å²	16	61.4 Å²	61.4	10%	0.097	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.2	-170.6	-168.5	0	0	0	0	110	L123 K371 L372 T380 Y384 A426	L123-V382 HydrophobicContact CD1-CG2 4.06Å; K371-V382 WeakPolarHBondContact CA-O 3.38Å; L372-V382 HydrophobicContact CB-CB 3.89Å; L372-V382 HydrophobicContact CB-CG2 4.31Å; L372-V382 HydrophobicContact CD2-CB 4.46Å; L372-V382 HydrophobicContact CD2-CG2 4.06Å; L372-V382 PolarHBondContact N-O 3.15Å; L372-V382 PolarHBondContact O-N 3.27Å; T380-V382 WeakPolarHBondContact CG2-O 3.34Å; V382-Y384 HydrophobicContact CB-CE1 4.38Å; V382-Y384 HydrophobicContact CB-CE2 4.44Å; V382-Y384 HydrophobicContact CG1-CD1 4.08Å; V382-Y384 HydrophobicContact CG1-CE1 3.5Å; V382-Y384 VanDerWaalsContact CG1-CE1 3.5Å; V382-Y384 HydrophobicContact CG1-CE2 4.29Å; V382-A426 HydrophobicContact CG1-CB 3.62Å
383	R	93.9	Very high	81.2	Confident	125 Å²	125	62.1 Å²	62.1	47%	0.472	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	116.1	173.6	-68.6	-173.9	178.8	-136.5	1.5	109.6	V369 K371 T380 T385	V369-R383 HydrophobicContact CG1-CB 4.45Å; K371-R383 HydrophobicContact CG-CG 4.43Å; T380-R383 HydrophobicContact CG2-CG 3.93Å; R383-T385 HydrophobicContact CB-CG2 4.34Å
384	Y	94.3	Very high	80.4	Confident	0 Å²	0	66 Å²	66	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	106	176	-45.9	-78	0	0	0	108.8	L362 A370 L372 V382 V408 W421 S423 A426	L362-Y384 HydrophobicContact CD1-CD2 4.27Å; L362-Y384 HydrophobicContact CD1-CE2 3.8Å; A370-Y384 HydrophobicContact CB-CD2 3.79Å; A370-Y384 HydrophobicContact CB-CG 4.41Å; A370-Y384 PolarHBondContact N-O 3.41Å; A370-Y384 WeakPolarHBondContact O-CD2 3.47Å; A370-Y384 PolarHBondContact O-N 3.12Å; L372-Y384 HydrophobicContact CB-CE2 4.03Å; V382-Y384 HydrophobicContact CB-CE1 4.38Å; V382-Y384 HydrophobicContact CB-CE2 4.44Å; V382-Y384 HydrophobicContact CG1-CD1 4.08Å; V382-Y384 HydrophobicContact CG1-CE1 3.5Å; V382-Y384 VanDerWaalsContact CG1-CE1 3.5Å; V382-Y384 HydrophobicContact CG1-CE2 4.29Å; Y384-V408 HydrophobicContact CD1-CB 4.39Å; Y384-V408 HydrophobicContact CD2-CB 4.35Å; Y384-V408 HydrophobicContact CD2-CG1 3.96Å; Y384-V408 HydrophobicContact CD2-CG2 4.3Å; Y384-V408 HydrophobicContact CE1-CB 4.28Å; Y384-V408 HydrophobicContact CE1-CG2 4Å; Y384-V408 HydrophobicContact CE2-CB 4.25Å; Y384-V408 HydrophobicContact CE2-CG1 4.18Å; Y384-V408 HydrophobicContact CE2-CG2 3.71Å; Y384-V408 HydrophobicContact CG-CB 4.41Å; Y384-V408 HydrophobicContact CG-CG1 4.22Å; Y384-W421 HydrophobicContact CD1-CB 3.64Å; Y384-W421 HydrophobicContact CD1-CD2 4.49Å; Y384-W421 AromaticContact CD1-CG 3.98Å; Y384-W421 HydrophobicContact CD1-CG 3.98Å; Y384-W421 HydrophobicContact CE1-CB 4.32Å; Y384-W421 HydrophobicContact CG-CB 4.43Å; Y384-W421 HydrophobicContact CG-CD2 4.48Å; Y384-W421 HydrophobicContact CG-CG 4.4Å; Y384-S423 WeakPolarHBondContact OH-CA 3.36Å; Y384-S423 PolarHBondContact OH-O 3.16Å; Y384-A426 HydrophobicContact CD1-CB 3.9Å; Y384-A426 HydrophobicContact CE1-CB 4.23Å
385	T	90.6	Very high	80.2	Confident	84 Å²	84	68 Å²	68	52%	0.515	37%	0.372	S	S	.	.			trans	-114.4	163.8	-174	63.5	0	0	0	0	111.4	V369 R383 W421	V369-T385 HydrophobicContact CG1-CG2 4.14Å; V369-T385 HydrophobicContact CG2-CG2 4.27Å; R383-T385 HydrophobicContact CB-CG2 4.34Å; T385-W421 WeakPolarHBondContact O-CZ2 3.28Å; T385-W421 PolarHBondContact O-NE1 3.26Å
386	G	81.8	Confident	80.3	Confident	14 Å²	14	68.8 Å²	68.8	14%	0.144	37%	0.374	C	S	.	.			trans	98.8	3.7	177.2	0	0	0	0	0	115.4	L389 R428	G386-L389 WeakPolarHBondContact O-CD1 3.39Å; G386-L389 VanDerWaalsContact O-CG 3.25Å; G386-L389 WeakPolarHBondContact O-CG 3.32Å; G386-R428 PolarHBondContact O-NH1 2.75Å; G386-R428 PolarHBondContact O-NH2 2.79Å
387	A	76.4	Confident	80.5	Confident	8 Å²	8	64.5 Å²	64.5	7%	0.066	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	148.1	152.5	0	0	0	0	0	109	L389 L410 W421	A387-L389 PolarHBondContact O-N 3.17Å; A387-L410 HydrophobicContact CB-CD2 3.85Å; A387-W421 HydrophobicContact CB-CH2 3.96Å; A387-W421 HydrophobicContact CB-CZ2 4.29Å
388	G	63.2	Low	80.9	Confident	12 Å²	12	63.1 Å²	63.1	12%	0.124	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	29	177.4	0	0	0	0	0	115.5	S390 G391 D412	G388-S390 PolarHBondContact O-N 3.29Å; G388-G391 PolarHBondContact O-N 3.35Å; G388-D412 WeakPolarHBondContact CA-OD1 3.46Å; G388-D412 PolarHBondContact N-OD1 2.87Å
389	L	54.8	Low	81.4	Confident	110 Å²	110	61.9 Å²	61.9	58%	0.576	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	4.8	-175.7	-77.4	159.6	0	0	0	117.4	G386 A387	G386-L389 WeakPolarHBondContact O-CD1 3.39Å; G386-L389 VanDerWaalsContact O-CG 3.25Å; G386-L389 WeakPolarHBondContact O-CG 3.32Å; A387-L389 PolarHBondContact O-N 3.17Å
390	S	52.4	Low	82	Confident	95 Å²	95	53.5 Å²	53.5	66%	0.664	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140	15	175.5	-46.8	0	0	0	0	113.9	G388	G388-S390 PolarHBondContact O-N 3.29Å
391	G	58.7	Low	82.3	Confident	50 Å²	50	52.2 Å²	52.2	52%	0.515	28%	0.28	S	S	.	.	S	Bend	trans	165.3	160.9	178.8	0	0	0	0	0	113.2	G388	G388-G391 PolarHBondContact O-N 3.35Å
392	R	67.9	Low	82.5	Confident	200 Å²	200	48.6 Å²	48.6	76%	0.755	26%	0.26	S	S	*	.			trans	-68.2	147	176.5	-68.6	-175.2	179.5	-169.4	-2.7	111.1	V394	R392-V394 PolarHBondContact O-N 3.09Å
393	Q	74.4	Confident	82.5	Confident	15 Å²	15	48.1 Å²	48.1	7%	0.07	26%	0.257	C	S	.	.			trans	-60.6	123.6	172.3	-155.6	175.4	-47.2	0	0	109.6	K366 S368 H395 T397 E413	K366-Q393 PolarHBondContact O-N 2.86Å; S368-Q393 WeakPolarHBondContact OG-CB 3.36Å; S368-Q393 PolarHBondContact OG-N 2.93Å; Q393-H395 WeakPolarHBondContact CG-O 3.15Å; Q393-H395 PolarHBondContact NE2-O 3.26Å; Q393-T397 VanDerWaalsContact NE2-CB 3.3Å; Q393-E413 HydrophobicContact CG-CG 3.73Å; Q393-E413 WeakPolarHBondContact CG-OE1 3.49Å; Q393-E413 WeakPolarHBondContact CG-OE2 3.31Å; Q393-E413 PolarHBondContact NE2-OE1 2.89Å
394	V	80.2	Confident	82.3	Confident	100 Å²	100	42.4 Å²	42.4	61%	0.606	24%	0.236	S	C	*	.			trans	-85.3	-37.5	-178.2	178.9	0	0	0	0	109.5	K366 R392 E413	K366-V394 VanDerWaalsContact CE-O 3.3Å; K366-V394 WeakPolarHBondContact CE-O 3.36Å; K366-V394 PolarHBondContact NZ-O 3.17Å; R392-V394 PolarHBondContact O-N 3.09Å; V394-E413 PolarHBondContact N-OE2 3.17Å
395	H	88.6	Confident	82.3	Confident	72 Å²	72	42.8 Å²	42.8	33%	0.333	24%	0.238	S	C	.	.	S	Bend	trans	-104.2	151.2	-169.5	-76.7	101	0	0	0	109.4	Q393 E413 R441	Q393-H395 WeakPolarHBondContact CG-O 3.15Å; Q393-H395 PolarHBondContact NE2-O 3.26Å; H395-E413 VanDerWaalsContact CA-OE1 3.25Å; H395-E413 WeakPolarHBondContact CA-OE1 3.32Å; H395-E413 WeakPolarHBondContact CB-OE1 3.26Å; H395-E413 PolarHBondContact N-OE1 3.09Å; H395-E413 PolarHBondContact N-OE2 3.37Å; H395-E413 VanDerWaalsContact N-OE2 3.1Å; H395-E413 IonicContact ND1-OE2 3.41Å; H395-R441 VanDerWaalsContact C-NH1 3.3Å
396	R	91.4	Very high	82.3	Confident	44 Å²	44	39.4 Å²	39.4	17%	0.166	22%	0.217	C	C	.	.			trans	-68.5	129.9	169.3	178.6	174.5	64.8	125.9	3.3	110.7	C306 C350 R441	C306-R396 PolarHBondContact O-NH1 2.89Å; C350-R396 HydrophobicContact CB-CG 3.75Å; R396-R441 PolarHBondContact O-NH1 3.26Å
397	T	91.8	Very high	82.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.211	C	C	.	.			trans	-136.6	174.2	165.9	-152.3	0	0	0	0	110	C350 S364 Q393 L410 V440	C350-T397 VanDerWaalsContact CB-O 3.23Å; C350-T397 WeakPolarHBondContact CB-O 3.48Å; S364-T397 PolarHBondContact OG-O 3.15Å; Q393-T397 VanDerWaalsContact NE2-CB 3.3Å; T397-L410 HydrophobicContact CG2-CD1 3.47Å; T397-L410 VanDerWaalsContact CG2-CD1 3.47Å; T397-L410 HydrophobicContact CG2-CG 4.37Å; T397-V440 PolarHBondContact OG1-O 2.83Å
398	Q	93.9	Very high	83.8	Confident	47 Å²	47	38.7 Å²	38.7	22%	0.22	21%	0.208	C	C	.	.			trans	-111.6	137.7	-178.2	-56.3	179.2	30	0	0	110.8	V400 P411 C442 I443	Q398-V400 HydrophobicContact CB-CG1 4.28Å; Q398-P411 WeakPolarHBondContact O-CD 3.21Å; Q398-C442 PolarHBondContact NE2-SG 2.86Å; Q398-C442 VanDerWaalsContact NE2-SG 3.38Å; Q398-I443 HydrophobicContact CB-CG2 4.23Å; Q398-I443 VanDerWaalsContact O-CG2 3.25Å; Q398-I443 WeakPolarHBondContact O-CG2 3.38Å; Q398-I443 PolarHBondContact OE1-O 3.19Å
399	A	96.9	Very high	85.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.			trans	-86.1	133.7	156.3	0	0	0	0	0	109.1	S351 L362 S364 A370 L409 L410	S351-A399 PolarHBondContact OG-N 2.75Å; S351-A399 VanDerWaalsContact OG-N 3.11Å; L362-A399 HydrophobicContact CD1-CB 4.44Å; L362-A399 HydrophobicContact CD2-CB 4.17Å; L362-A399 HydrophobicContact CG-CB 4.16Å; S364-A399 PolarHBondContact OG-N 3.13Å; A370-A399 HydrophobicContact CB-CB 3.85Å; A399-L409 WeakPolarHBondContact CA-O 3.37Å; A399-L410 HydrophobicContact CB-CD1 4.1Å
400	V	97.8	Very high	87.4	Confident	10 Å²	10	33.1 Å²	33.1	6%	0.061	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.6	179.2	-61.3	0	0	0	0	110.8	Q398 L409 I443 H445	Q398-V400 HydrophobicContact CB-CG1 4.28Å; V400-L409 HydrophobicContact CG2-CB 3.93Å; V400-L409 HydrophobicContact CG2-CD1 4.37Å; V400-L409 PolarHBondContact N-O 3.08Å; V400-L409 PolarHBondContact O-N 2.84Å; V400-I443 HydrophobicContact CG1-CG2 4.17Å; V400-I443 HydrophobicContact CG2-CD1 4.16Å; V400-I443 HydrophobicContact CG2-CG1 4.14Å; V400-I443 HydrophobicContact CG2-CG2 4.07Å; V400-H445 HydrophobicContact CG2-CB 4.16Å
401	F	97.1	Very high	89.5	Confident	13 Å²	13	28.7 Å²	28.7	6%	0.057	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	155.4	164.4	-73	-63.6	0	0	0	110.8	I121 I353 L362 L372 E405 Y407 V408 H445	I121-F401 HydrophobicContact CG2-CE1 4.47Å; I121-F401 HydrophobicContact CG2-CZ 4.27Å; I353-F401 HydrophobicContact CD1-CD2 4.06Å; L362-F401 HydrophobicContact CB-CD2 4.27Å; L362-F401 HydrophobicContact CB-CE2 3.52Å; L362-F401 HydrophobicContact CB-CZ 3.69Å; L362-F401 HydrophobicContact CD2-CD1 4.08Å; L362-F401 HydrophobicContact CD2-CD2 3.93Å; L362-F401 HydrophobicContact CD2-CE1 4.06Å; L362-F401 HydrophobicContact CD2-CE2 3.9Å; L362-F401 HydrophobicContact CD2-CG 4.03Å; L362-F401 HydrophobicContact CD2-CZ 3.97Å; L362-F401 HydrophobicContact CG-CE2 4.33Å; L362-F401 HydrophobicContact CG-CZ 4.31Å; L372-F401 HydrophobicContact CD1-CE1 4.44Å; L372-F401 HydrophobicContact CD1-CZ 3.67Å; F401-E405 HydrophobicContact CB-CB 4.21Å; F401-E405 HydrophobicContact CB-CG 3.93Å; F401-E405 HydrophobicContact CD1-CB 3.84Å; F401-E405 HydrophobicContact CD1-CG 4.34Å; F401-E405 HydrophobicContact CD2-CG 4.22Å; F401-E405 HydrophobicContact CE1-CB 4.3Å; F401-E405 HydrophobicContact CG-CB 3.96Å; F401-E405 HydrophobicContact CG-CG 3.93Å; F401-Y407 WeakPolarHBondContact CA-O 3.23Å; F401-V408 HydrophobicContact CD1-CG2 3.91Å; F401-V408 HydrophobicContact CE1-CG2 3.7Å; F401-H445 WeakPolarHBondContact O-CB 3.23Å
402	N	95	Very high	91	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.027	12%	0.123	C	C	.	.			trans	-73.7	170.2	157.5	78.3	-30.8	0	0	0	110.9	S133 T404 E405 D406 Y407	S133-N402 VanDerWaalsContact CB-ND2 3.28Å; S133-N402 WeakPolarHBondContact CB-ND2 3.22Å; S133-N402 PolarHBondContact OG-ND2 2.78Å; N402-T404 PolarHBondContact ND2-OG1 3.18Å; N402-T404 VanDerWaalsContact ND2-OG1 3.13Å; N402-T404 PolarHBondContact O-N 2.8Å; N402-T404 PolarHBondContact OD1-OG1 2.56Å; N402-E405 PolarHBondContact O-N 3.07Å; N402-E405 WeakPolarHBondContact OD1-CA 3.35Å; N402-E405 PolarHBondContact OD1-N 3.11Å; N402-D406 PolarHBondContact OD1-N 2.92Å; N402-Y407 PolarHBondContact N-O 2.87Å; N402-Y407 PolarHBondContact OD1-N 2.86Å
403	H	91.2	Very high	92	Very high	6 Å²	6	18.6 Å²	18.6	3%	0.028	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-18.7	-177.7	65.3	-58.6	0	0	0	115.4	K356 H445 S446 N449	K356-H403 WeakPolarHBondContact CE-O 3.29Å; K356-H403 PolarHBondContact NZ-O 2.94Å; H403-H445 PolarHBondContact N-CE1 3.36Å; H403-H445 PolarHBondContact N-ND1 2.96Å; H403-H445 AromaticContact ND1-CE1 3.68Å; H403-S446 WeakPolarHBondContact CB-O 3.23Å; H403-N449 WeakPolarHBondContact CB-O 3.45Å
404	T	89.9	Confident	92.4	Very high	6 Å²	6	24.5 Å²	24.5	4%	0.037	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-5.6	175.1	57.3	0	0	0	0	113.7	V115 S133 N402 D406	V115-T404 HydrophobicContact CG1-CG2 3.66Å; S133-T404 WeakPolarHBondContact CB-OG1 3.46Å; S133-T404 PolarHBondContact OG-OG1 3.13Å; S133-T404 VanDerWaalsContact OG-OG1 3.07Å; N402-T404 PolarHBondContact ND2-OG1 3.18Å; N402-T404 VanDerWaalsContact ND2-OG1 3.13Å; N402-T404 PolarHBondContact O-N 2.8Å; N402-T404 PolarHBondContact OD1-OG1 2.56Å; T404-D406 WeakPolarHBondContact CB-OD2 3.27Å; T404-D406 PolarHBondContact O-N 2.84Å; T404-D406 PolarHBondContact OG1-OD2 2.86Å
405	E	93.3	Very high	92.8	Very high	8 Å²	8	22.4 Å²	22.4	4%	0.037	10%	0.103	C	C	.	.	S	Bend	trans	63	19.1	-173.3	-45.8	-171.5	149.3	0	0	114.7	G120 I121 S355 K356 F401 N402 S423	G120-E405 WeakPolarHBondContact CA-OE2 3.49Å; I121-E405 HydrophobicContact CB-CB 4.06Å; I121-E405 HydrophobicContact CG2-CB 4.27Å; I121-E405 PolarHBondContact N-OE2 3.28Å; S355-E405 VanDerWaalsContact CA-OE1 3.23Å; S355-E405 WeakPolarHBondContact CA-OE1 3.49Å; S355-E405 WeakPolarHBondContact CB-OE2 3.39Å; K356-E405 HydrophobicContact CD-CG 4.4Å; K356-E405 WeakPolarHBondContact CG-OE1 3.22Å; K356-E405 VanDerWaalsContact N-CD 3.31Å; K356-E405 PolarHBondContact N-OE1 2.96Å; K356-E405 PolarHBondContact N-OE2 2.88Å; K356-E405 VanDerWaalsContact N-OE2 3.14Å; F401-E405 HydrophobicContact CB-CB 4.21Å; F401-E405 HydrophobicContact CB-CG 3.93Å; F401-E405 HydrophobicContact CD1-CB 3.84Å; F401-E405 HydrophobicContact CD1-CG 4.34Å; F401-E405 HydrophobicContact CD2-CG 4.22Å; F401-E405 HydrophobicContact CE1-CB 4.3Å; F401-E405 HydrophobicContact CG-CB 3.96Å; F401-E405 HydrophobicContact CG-CG 3.93Å; N402-E405 PolarHBondContact O-N 3.07Å; N402-E405 WeakPolarHBondContact OD1-CA 3.35Å; N402-E405 PolarHBondContact OD1-N 3.11Å; E405-S423 VanDerWaalsContact O-CB 3.25Å; E405-S423 WeakPolarHBondContact O-CB 3.31Å; E405-S423 PolarHBondContact O-OG 3.01Å
406	D	90.7	Very high	93	Very high	12 Å²	12	20.5 Å²	20.5	6%	0.064	9%	0.094	C	C	.	.	S	Bend	trans	-76.7	-26.3	173.5	-63.4	-39.1	0	0	0	112.7	T131 S133 N402 T404 S423 R424	T131-D406 HydrophobicContact CG2-CB 3.99Å; S133-D406 WeakPolarHBondContact CB-OD2 3.31Å; S133-D406 VanDerWaalsContact OG-CB 3.27Å; S133-D406 WeakPolarHBondContact OG-CB 3.19Å; S133-D406 PolarHBondContact OG-OD2 3.04Å; N402-D406 PolarHBondContact OD1-N 2.92Å; T404-D406 WeakPolarHBondContact CB-OD2 3.27Å; T404-D406 PolarHBondContact O-N 2.84Å; T404-D406 PolarHBondContact OG1-OD2 2.86Å; D406-S423 VanDerWaalsContact C-OG 3.27Å; D406-S423 WeakPolarHBondContact CA-OG 3.46Å; D406-S423 WeakPolarHBondContact O-CB 3.46Å; D406-S423 PolarHBondContact O-N 3.17Å; D406-S423 PolarHBondContact O-OG 3.48Å; D406-R424 IonicContact OD1-CZ 2.85Å; D406-R424 IonicContact OD1-NH1 2.64Å; D406-R424 PolarHBondContact OD1-NH1 3.23Å; D406-R424 IonicContact OD1-NH2 2.89Å; D406-R424 PolarHBondContact OD1-NH2 2.91Å
407	Y	94.4	Very high	93.1	Very high	8 Å²	8	18.8 Å²	18.8	3%	0.031	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.5	-179.5	-60.1	-63.3	0	0	0	111.9	T131 S133 P134 E135 F401 N402 W421 R429	T131-Y407 PolarHBondContact OG1-OH 3.04Å; S133-Y407 WeakPolarHBondContact O-CE2 3.25Å; S133-Y407 WeakPolarHBondContact OG-CE2 3.5Å; P134-Y407 WeakPolarHBondContact O-CE2 3.37Å; E135-Y407 HydrophobicContact CG-CE1 4.37Å; E135-Y407 HydrophobicContact CG-CE2 4.34Å; E135-Y407 WeakPolarHBondContact CG-OH 3.36Å; F401-Y407 WeakPolarHBondContact CA-O 3.23Å; N402-Y407 PolarHBondContact N-O 2.87Å; N402-Y407 PolarHBondContact OD1-N 2.86Å; Y407-W421 CarbonylContact C-O 3.58Å; Y407-W421 VanDerWaalsContact CA-O 3.24Å; Y407-W421 WeakPolarHBondContact CA-O 3.3Å; Y407-R429 HydrophobicContact CD1-CG 4.31Å; Y407-R429 HydrophobicContact CE1-CG 3.97Å
408	V	96.8	Very high	93.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.1	166	172.2	0	0	0	0	108.8	L362 A370 Y384 F401 C420 W421	L362-V408 HydrophobicContact CD1-CG1 3.92Å; L362-V408 HydrophobicContact CD1-CG2 3.95Å; L362-V408 HydrophobicContact CD2-CG1 4.08Å; L362-V408 HydrophobicContact CD2-CG2 4.03Å; A370-V408 HydrophobicContact CB-CG1 4.22Å; Y384-V408 HydrophobicContact CD1-CB 4.39Å; Y384-V408 HydrophobicContact CD2-CB 4.35Å; Y384-V408 HydrophobicContact CD2-CG1 3.96Å; Y384-V408 HydrophobicContact CD2-CG2 4.3Å; Y384-V408 HydrophobicContact CE1-CB 4.28Å; Y384-V408 HydrophobicContact CE1-CG2 4Å; Y384-V408 HydrophobicContact CE2-CB 4.25Å; Y384-V408 HydrophobicContact CE2-CG1 4.18Å; Y384-V408 HydrophobicContact CE2-CG2 3.71Å; Y384-V408 HydrophobicContact CG-CB 4.41Å; Y384-V408 HydrophobicContact CG-CG1 4.22Å; F401-V408 HydrophobicContact CD1-CG2 3.91Å; F401-V408 HydrophobicContact CE1-CG2 3.7Å; V408-C420 WeakPolarHBondContact O-CA 3.26Å; V408-W421 HydrophobicContact CG1-CE3 4.3Å; V408-W421 PolarHBondContact N-O 3Å; V408-W421 PolarHBondContact O-N 2.66Å
409	L	97.1	Very high	93.2	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.016	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.7	-176.1	-53.4	176.1	0	0	0	109.5	A136 A399 V400 L418 C419 C420 I443	A136-L409 HydrophobicContact CB-CD2 3.82Å; A399-L409 WeakPolarHBondContact CA-O 3.37Å; V400-L409 HydrophobicContact CG2-CB 3.93Å; V400-L409 HydrophobicContact CG2-CD1 4.37Å; V400-L409 PolarHBondContact N-O 3.08Å; V400-L409 PolarHBondContact O-N 2.84Å; L409-L418 HydrophobicContact CB-CD1 4.1Å; L409-L418 HydrophobicContact CB-CD2 4.3Å; L409-L418 HydrophobicContact CB-CG 4.32Å; L409-L418 HydrophobicContact CD1-CD2 4.36Å; L409-L418 HydrophobicContact CD2-CD2 4.25Å; L409-C419 WeakPolarHBondContact CA-O 3.45Å; L409-C420 HydrophobicContact CD2-CB 3.97Å; L409-I443 HydrophobicContact CB-CD1 4.42Å
410	L	96.4	Very high	93.2	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	121.4	177.3	-175.2	66	0	0	0	110.7	A370 A387 T397 A399 D412 C419 W421	A370-L410 HydrophobicContact CB-CD2 4.49Å; A387-L410 HydrophobicContact CB-CD2 3.85Å; T397-L410 HydrophobicContact CG2-CD1 3.47Å; T397-L410 VanDerWaalsContact CG2-CD1 3.47Å; T397-L410 HydrophobicContact CG2-CG 4.37Å; A399-L410 HydrophobicContact CB-CD1 4.1Å; L410-D412 PolarHBondContact O-N 3.23Å; L410-C419 PolarHBondContact N-O 2.75Å; L410-C419 WeakPolarHBondContact O-CB 3.45Å; L410-C419 PolarHBondContact O-N 2.98Å; L410-W421 HydrophobicContact CB-CH2 3.89Å; L410-W421 HydrophobicContact CB-CZ3 3.57Å; L410-W421 HydrophobicContact CD2-CH2 4.2Å
411	P	95.1	Very high	93	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.013	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	128.5	174.8	-21.1	33.1	0	0	0	111.7	Q398 L418 L434 V440 I443	Q398-P411 WeakPolarHBondContact O-CD 3.21Å; P411-L418 HydrophobicContact CG-CD1 4.01Å; P411-L434 HydrophobicContact CB-CD1 4.45Å; P411-V440 HydrophobicContact CB-CB 4.05Å; P411-V440 HydrophobicContact CB-CG1 4.09Å; P411-V440 HydrophobicContact CG-CG1 4.02Å; P411-I443 HydrophobicContact CG-CB 3.98Å; P411-I443 HydrophobicContact CG-CD1 4.47Å; P411-I443 HydrophobicContact CG-CG2 3.69Å
412	D	91.6	Very high	92.8	Very high	11 Å²	11	16.7 Å²	16.7	6%	0.059	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	119.9	172.5	-172.1	28.4	0	0	0	110.4	G388 L410 R414 T415 I416 S417	G388-D412 WeakPolarHBondContact CA-OD1 3.46Å; G388-D412 PolarHBondContact N-OD1 2.87Å; L410-D412 PolarHBondContact O-N 3.23Å; D412-R414 VanDerWaalsContact C-N 3.26Å; D412-R414 PolarHBondContact O-N 2.97Å; D412-T415 PolarHBondContact OD2-OG1 2.96Å; D412-I416 WeakPolarHBondContact O-CA 3.39Å; D412-I416 PolarHBondContact O-N 3.43Å; D412-S417 PolarHBondContact N-O 2.9Å
413	E	87.5	Confident	92.6	Very high	28 Å²	28	16.5 Å²	16.5	13%	0.131	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-27.9	-176.1	-59.8	-171.4	167.9	0	0	112.9	Q393 V394 H395 I416 I439	Q393-E413 HydrophobicContact CG-CG 3.73Å; Q393-E413 WeakPolarHBondContact CG-OE1 3.49Å; Q393-E413 WeakPolarHBondContact CG-OE2 3.31Å; Q393-E413 PolarHBondContact NE2-OE1 2.89Å; V394-E413 PolarHBondContact N-OE2 3.17Å; H395-E413 VanDerWaalsContact CA-OE1 3.25Å; H395-E413 WeakPolarHBondContact CA-OE1 3.32Å; H395-E413 WeakPolarHBondContact CB-OE1 3.26Å; H395-E413 PolarHBondContact N-OE1 3.09Å; H395-E413 PolarHBondContact N-OE2 3.37Å; H395-E413 VanDerWaalsContact N-OE2 3.1Å; H395-E413 IonicContact ND1-OE2 3.41Å; E413-I416 WeakPolarHBondContact O-CD1 3.27Å; E413-I439 HydrophobicContact CB-CG2 4.12Å; E413-I439 HydrophobicContact CG-CG2 3.81Å
414	R	83.7	Confident	92.4	Very high	139 Å²	139	17.5 Å²	17.5	53%	0.525	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-42.9	-173.7	-174.6	-176.8	61.8	86	7.7	112.5	D412	D412-R414 VanDerWaalsContact C-N 3.26Å; D412-R414 PolarHBondContact O-N 2.97Å
415	T	88.6	Confident	92.1	Very high	56 Å²	56	21.1 Å²	21.1	34%	0.344	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-8	-176.7	51.3	0	0	0	0	113.2	D412 S417	D412-T415 PolarHBondContact OD2-OG1 2.96Å; T415-S417 PolarHBondContact O-N 2.92Å; T415-S417 PolarHBondContact OG1-OG 2.99Å
416	I	92.6	Very high	91.9	Very high	32 Å²	32	22.1 Å²	22.1	16%	0.164	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	43.2	-174.2	-42.7	-60.8	0	0	0	110.3	D412 E413 L434 H436 I439	D412-I416 WeakPolarHBondContact O-CA 3.39Å; D412-I416 PolarHBondContact O-N 3.43Å; E413-I416 WeakPolarHBondContact O-CD1 3.27Å; I416-L434 WeakPolarHBondContact O-CB 3.4Å; I416-L434 PolarHBondContact O-N 3.02Å; I416-L434 VanDerWaalsContact O-N 3.12Å; I416-H436 HydrophobicContact CG2-CB 3.67Å; I416-H436 WeakPolarHBondContact CG2-O 2.98Å; I416-I439 HydrophobicContact CD1-CG1 4.23Å
417	S	92.8	Very high	91.8	Very high	7 Å²	7	26.7 Å²	26.7	5%	0.049	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	154.8	178.5	64.3	0	0	0	0	110.2	D412 T415 L432	D412-S417 PolarHBondContact N-O 2.9Å; T415-S417 PolarHBondContact O-N 2.92Å; T415-S417 PolarHBondContact OG1-OG 2.99Å; S417-L432 CarbonylContact C-O 3.55Å; S417-L432 WeakPolarHBondContact CA-O 3.3Å; S417-L432 VanDerWaalsContact CB-O 3.31Å; S417-L432 WeakPolarHBondContact CB-O 3.38Å
418	L	95.1	Very high	91.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	118.3	172.4	-168.1	60.5	0	0	0	109.6	A136 L409 P411 L432 L434 I443 F452	A136-L418 HydrophobicContact CB-CD2 4.39Å; L409-L418 HydrophobicContact CB-CD1 4.1Å; L409-L418 HydrophobicContact CB-CD2 4.3Å; L409-L418 HydrophobicContact CB-CG 4.32Å; L409-L418 HydrophobicContact CD1-CD2 4.36Å; L409-L418 HydrophobicContact CD2-CD2 4.25Å; P411-L418 HydrophobicContact CG-CD1 4.01Å; L418-L432 HydrophobicContact CB-CB 4.14Å; L418-L432 HydrophobicContact CB-CD2 4.48Å; L418-L432 HydrophobicContact CD2-CD2 4.22Å; L418-L432 PolarHBondContact N-O 2.51Å; L418-L432 PolarHBondContact O-N 2.91Å; L418-L434 HydrophobicContact CB-CD1 4.24Å; L418-L434 HydrophobicContact CB-CD2 3.96Å; L418-L434 HydrophobicContact CB-CG 4.18Å; L418-I443 HydrophobicContact CD1-CD1 3.53Å; L418-I443 HydrophobicContact CD2-CD1 3.99Å; L418-I443 HydrophobicContact CG-CD1 4.43Å; L418-F452 HydrophobicContact CD2-CE1 4.23Å; L418-F452 HydrophobicContact CD2-CE2 3.99Å; L418-F452 HydrophobicContact CD2-CZ 3.67Å
419	C	94.5	Very high	91.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	137.6	166.1	-66.9	0	0	0	0	109	L409 L410 W421	L409-C419 WeakPolarHBondContact CA-O 3.45Å; L410-C419 PolarHBondContact N-O 2.75Å; L410-C419 WeakPolarHBondContact O-CB 3.45Å; L410-C419 PolarHBondContact O-N 2.98Å; C419-W421 HydrophobicContact CB-CE3 4.32Å; C419-W421 HydrophobicContact CB-CH2 3.18Å; C419-W421 HydrophobicContact CB-CZ2 3.68Å; C419-W421 HydrophobicContact CB-CZ3 3.54Å
420	C	95.1	Very high	91	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.4	-179.9	-178.6	0	0	0	0	108.5	A136 V408 L409 R429	A136-C420 HydrophobicContact CB-CB 3.64Å; V408-C420 WeakPolarHBondContact O-CA 3.26Å; L409-C420 HydrophobicContact CD2-CB 3.97Å; C420-R429 HydrophobicContact CB-CB 4.13Å; C420-R429 PolarHBondContact O-N 3.38Å
421	W	94.7	Very high	90.7	Very high	3 Å²	3	42.6 Å²	42.6	1%	0.011	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.3	172.1	-57.8	-98.9	0	0	0	109.8	Y384 T385 A387 Y407 V408 L410 C419 S423 E427	Y384-W421 HydrophobicContact CD1-CB 3.64Å; Y384-W421 HydrophobicContact CD1-CD2 4.49Å; Y384-W421 AromaticContact CD1-CG 3.98Å; Y384-W421 HydrophobicContact CD1-CG 3.98Å; Y384-W421 HydrophobicContact CE1-CB 4.32Å; Y384-W421 HydrophobicContact CG-CB 4.43Å; Y384-W421 HydrophobicContact CG-CD2 4.48Å; Y384-W421 HydrophobicContact CG-CG 4.4Å; T385-W421 WeakPolarHBondContact O-CZ2 3.28Å; T385-W421 PolarHBondContact O-NE1 3.26Å; A387-W421 HydrophobicContact CB-CH2 3.96Å; A387-W421 HydrophobicContact CB-CZ2 4.29Å; Y407-W421 CarbonylContact C-O 3.58Å; Y407-W421 VanDerWaalsContact CA-O 3.24Å; Y407-W421 WeakPolarHBondContact CA-O 3.3Å; V408-W421 HydrophobicContact CG1-CE3 4.3Å; V408-W421 PolarHBondContact N-O 3Å; V408-W421 PolarHBondContact O-N 2.66Å; L410-W421 HydrophobicContact CB-CH2 3.89Å; L410-W421 HydrophobicContact CB-CZ3 3.57Å; L410-W421 HydrophobicContact CD2-CH2 4.2Å; C419-W421 HydrophobicContact CB-CE3 4.32Å; C419-W421 HydrophobicContact CB-CH2 3.18Å; C419-W421 HydrophobicContact CB-CZ2 3.68Å; C419-W421 HydrophobicContact CB-CZ3 3.54Å; W421-S423 PolarHBondContact O-N 3.41Å; W421-E427 CarbonylContact C-O 3.56Å; W421-E427 VanDerWaalsContact CA-O 3.24Å; W421-E427 WeakPolarHBondContact CA-O 3.37Å
422	D	92.1	Very high	90.6	Very high	24 Å²	24	43.2 Å²	43.2	13%	0.128	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	125.5	159.8	-178.9	-71	0	0	0	108.8	R424 T425 A426 E427	D422-R424 PolarHBondContact O-N 3.36Å; D422-R424 WeakPolarHBondContact OD1-CA 3.49Å; D422-R424 WeakPolarHBondContact OD1-CB 3.42Å; D422-R424 PolarHBondContact OD1-N 2.82Å; D422-T425 WeakPolarHBondContact CB-OG1 3.38Å; D422-T425 PolarHBondContact OD1-N 3.29Å; D422-T425 PolarHBondContact OD1-OG1 2.99Å; D422-T425 VanDerWaalsContact OD1-OG1 3.12Å; D422-A426 VanDerWaalsContact O-CA 3.28Å; D422-A426 WeakPolarHBondContact O-CA 3.23Å; D422-A426 PolarHBondContact O-N 3.32Å; D422-E427 HydrophobicContact CB-CB 4.34Å; D422-E427 PolarHBondContact N-O 3.23Å
423	S	91.1	Very high	90.7	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-21.5	-173.7	65.7	0	0	0	0	113.2	I121 Y384 E405 D406 W421	I121-S423 VanDerWaalsContact CD1-OG 3.25Å; I121-S423 WeakPolarHBondContact CD1-OG 3.5Å; Y384-S423 WeakPolarHBondContact OH-CA 3.36Å; Y384-S423 PolarHBondContact OH-O 3.16Å; E405-S423 VanDerWaalsContact O-CB 3.25Å; E405-S423 WeakPolarHBondContact O-CB 3.31Å; E405-S423 PolarHBondContact O-OG 3.01Å; D406-S423 VanDerWaalsContact C-OG 3.27Å; D406-S423 WeakPolarHBondContact CA-OG 3.46Å; D406-S423 WeakPolarHBondContact O-CB 3.46Å; D406-S423 PolarHBondContact O-N 3.17Å; D406-S423 PolarHBondContact O-OG 3.48Å; W421-S423 PolarHBondContact O-N 3.41Å
424	R	86.4	Confident	91.1	Very high	28 Å²	28	45.6 Å²	45.6	11%	0.106	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-41.7	-176.4	-58.1	172.1	174.3	76.4	-1.6	111.6	I121 L123 D126 D406 D422	I121-R424 HydrophobicContact CD1-CG 4.03Å; I121-R424 HydrophobicContact CG1-CG 4.15Å; L123-R424 HydrophobicContact CD2-CB 3.79Å; L123-R424 HydrophobicContact CD2-CG 3.77Å; D126-R424 WeakPolarHBondContact O-CD 3.22Å; D126-R424 PolarHBondContact O-NE 2.59Å; D126-R424 VanDerWaalsContact O-NE 3.12Å; D406-R424 IonicContact OD1-CZ 2.85Å; D406-R424 IonicContact OD1-NH1 2.64Å; D406-R424 PolarHBondContact OD1-NH1 3.23Å; D406-R424 IonicContact OD1-NH2 2.89Å; D406-R424 PolarHBondContact OD1-NH2 2.91Å; D422-R424 PolarHBondContact O-N 3.36Å; D422-R424 WeakPolarHBondContact OD1-CA 3.49Å; D422-R424 WeakPolarHBondContact OD1-CB 3.42Å; D422-R424 PolarHBondContact OD1-N 2.82Å
425	T	84.6	Confident	91.6	Very high	81 Å²	81	40.6 Å²	40.6	50%	0.497	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-12.7	-171.7	63.4	0	0	0	0	113.7	D422 E427	D422-T425 WeakPolarHBondContact CB-OG1 3.38Å; D422-T425 PolarHBondContact OD1-N 3.29Å; D422-T425 PolarHBondContact OD1-OG1 2.99Å; D422-T425 VanDerWaalsContact OD1-OG1 3.12Å; T425-E427 PolarHBondContact O-N 2.79Å; T425-E427 VanDerWaalsContact OG1-CB 3.28Å; T425-E427 WeakPolarHBondContact OG1-CB 3.24Å; T425-E427 PolarHBondContact OG1-N 2.9Å
426	A	89.6	Confident	92	Very high	29 Å²	29	38.5 Å²	38.5	24%	0.24	21%	0.209	C	C	.	.			trans	57.7	17.6	-165.4	0	0	0	0	0	114.1	V382 Y384 D422 R428	V382-A426 HydrophobicContact CG1-CB 3.62Å; Y384-A426 HydrophobicContact CD1-CB 3.9Å; Y384-A426 HydrophobicContact CE1-CB 4.23Å; D422-A426 VanDerWaalsContact O-CA 3.28Å; D422-A426 WeakPolarHBondContact O-CA 3.23Å; D422-A426 PolarHBondContact O-N 3.32Å; A426-R428 PolarHBondContact O-N 3.34Å
427	E	88.9	Confident	92.2	Very high	109 Å²	109	43.4 Å²	43.4	51%	0.509	24%	0.236	S	C	.	.			trans	-65.8	127.1	175.2	-170	-174	141.8	0	0	109.4	W421 D422 T425 R429	W421-E427 CarbonylContact C-O 3.56Å; W421-E427 VanDerWaalsContact CA-O 3.24Å; W421-E427 WeakPolarHBondContact CA-O 3.37Å; D422-E427 HydrophobicContact CB-CB 4.34Å; D422-E427 PolarHBondContact N-O 3.23Å; T425-E427 PolarHBondContact O-N 2.79Å; T425-E427 VanDerWaalsContact OG1-CB 3.28Å; T425-E427 WeakPolarHBondContact OG1-CB 3.24Å; T425-E427 PolarHBondContact OG1-N 2.9Å; E427-R429 PolarHBondContact O-N 3.22Å; E427-R429 IonicContact OE1-NH1 2.74Å; E427-R429 PolarHBondContact OE1-NH1 2.82Å
428	R	90	Very high	92.3	Very high	90 Å²	90	46.1 Å²	46.1	34%	0.34	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-74.5	124.6	179.6	-170	-179.8	-172.3	166.3	12.2	110	G386 A426	G386-R428 PolarHBondContact O-NH1 2.75Å; G386-R428 PolarHBondContact O-NH2 2.79Å; A426-R428 PolarHBondContact O-N 3.34Å
429	R	92.4	Very high	92.3	Very high	75 Å²	75	47.6 Å²	47.6	28%	0.283	26%	0.257	S	S	.	.			trans	-92.2	179.3	173	-57	-53.5	-62.6	176.6	-11.8	111.2	E135 Y407 C420 E427 L431	E135-R429 VanDerWaalsContact CD-NE 3.29Å; E135-R429 VanDerWaalsContact CD-NH2 3.26Å; E135-R429 IonicContact OE1-CZ 3.47Å; E135-R429 IonicContact OE1-NE 3.78Å; E135-R429 PolarHBondContact OE1-NE 3.11Å; E135-R429 IonicContact OE1-NH2 3.45Å; E135-R429 PolarHBondContact OE1-NH2 2.79Å; E135-R429 IonicContact OE2-CZ 2.93Å; E135-R429 IonicContact OE2-NE 3.21Å; E135-R429 PolarHBondContact OE2-NE 2.87Å; E135-R429 IonicContact OE2-NH2 3.5Å; E135-R429 PolarHBondContact OE2-NH2 2.86Å; Y407-R429 HydrophobicContact CD1-CG 4.31Å; Y407-R429 HydrophobicContact CE1-CG 3.97Å; C420-R429 HydrophobicContact CB-CB 4.13Å; C420-R429 PolarHBondContact O-N 3.38Å; E427-R429 PolarHBondContact O-N 3.22Å; E427-R429 IonicContact OE1-NH1 2.74Å; E427-R429 PolarHBondContact OE1-NH1 2.82Å; R429-L431 PolarHBondContact O-N 2.85Å
430	N	88.7	Confident	92.4	Very high	102 Å²	102	47.9 Å²	47.9	55%	0.545	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-57.6	138.4	178.8	-67.9	-47.1	0	0	0	111.6
431	L	89.3	Confident	92.4	Very high	78 Å²	78	49.8 Å²	49.8	41%	0.408	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-73.3	138.6	173.5	-82.8	69.6	0	0	0	109.6	R429	R429-L431 PolarHBondContact O-N 2.85Å
432	L	93.4	Very high	92.6	Very high	15 Å²	15	49.6 Å²	49.6	8%	0.079	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.7	169.7	173.7	74	0	0	0	109.5	A136 S417 L418 L434 F452 W464	A136-L432 WeakPolarHBondContact O-CD2 3.36Å; S417-L432 CarbonylContact C-O 3.55Å; S417-L432 WeakPolarHBondContact CA-O 3.3Å; S417-L432 VanDerWaalsContact CB-O 3.31Å; S417-L432 WeakPolarHBondContact CB-O 3.38Å; L418-L432 HydrophobicContact CB-CB 4.14Å; L418-L432 HydrophobicContact CB-CD2 4.48Å; L418-L432 HydrophobicContact CD2-CD2 4.22Å; L418-L432 PolarHBondContact N-O 2.51Å; L418-L432 PolarHBondContact O-N 2.91Å; L432-L434 HydrophobicContact CD2-CD2 4.09Å; L432-L434 PolarHBondContact O-N 2.81Å; L432-F452 HydrophobicContact CD2-CZ 3.68Å; L432-W464 HydrophobicContact CD1-CZ3 3.92Å; L432-W464 HydrophobicContact CD2-CD2 4.36Å; L432-W464 HydrophobicContact CD2-CE3 3.87Å; L432-W464 HydrophobicContact CD2-CH2 4.34Å; L432-W464 HydrophobicContact CD2-CZ3 3.87Å; L432-W464 HydrophobicContact CG-CH2 4.46Å; L432-W464 HydrophobicContact CG-CZ3 4.14Å
433	S	94.9	Very high	92.9	Very high	90 Å²	90	48.5 Å²	48.5	63%	0.629	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	122.8	171.1	-177.8	0	0	0	0	110	G435 W464	S433-G435 VanDerWaalsContact C-N 3.34Å; S433-W464 WeakPolarHBondContact O-CH2 3.29Å
434	L	95	Very high	93.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.			trans	-83.7	-11.8	-175	-65	173.1	0	0	0	113.2	P411 I416 L418 L432 H436 V440 F452 T454 R462 W464	P411-L434 HydrophobicContact CB-CD1 4.45Å; I416-L434 WeakPolarHBondContact O-CB 3.4Å; I416-L434 PolarHBondContact O-N 3.02Å; I416-L434 VanDerWaalsContact O-N 3.12Å; L418-L434 HydrophobicContact CB-CD1 4.24Å; L418-L434 HydrophobicContact CB-CD2 3.96Å; L418-L434 HydrophobicContact CB-CG 4.18Å; L432-L434 HydrophobicContact CD2-CD2 4.09Å; L432-L434 PolarHBondContact O-N 2.81Å; L434-H436 PolarHBondContact O-N 2.88Å; L434-V440 HydrophobicContact CD1-CB 4.42Å; L434-V440 HydrophobicContact CD1-CG2 3.84Å; L434-F452 HydrophobicContact CD2-CE2 4.49Å; L434-T454 HydrophobicContact CD1-CG2 4.42Å; L434-T454 HydrophobicContact CD2-CG2 3.98Å; L434-R462 WeakPolarHBondContact O-CD 3.26Å; L434-R462 PolarHBondContact O-NE 3.14Å; L434-W464 HydrophobicContact CB-CZ2 4.21Å; L434-W464 HydrophobicContact CD2-CH2 4.35Å; L434-W464 HydrophobicContact CD2-CZ2 3.73Å; L434-W464 VanDerWaalsContact O-CZ2 3.3Å; L434-W464 WeakPolarHBondContact O-CZ2 3.18Å
435	G	94.3	Very high	93.8	Very high	34 Å²	34	48.9 Å²	48.9	35%	0.351	26%	0.263	S	S	.	.			trans	59.9	13.1	178.9	0	0	0	0	0	115.1	S433 R462	S433-G435 VanDerWaalsContact C-N 3.34Å; G435-R462 VanDerWaalsContact O-CZ 3.24Å; G435-R462 PolarHBondContact O-NH2 2.9Å
436	H	97.1	Very high	94.4	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.056	24%	0.241	C	C	.	.			trans	-73.8	149.6	171.5	-79.7	-72.9	0	0	0	110.5	I416 L434 N438 V440 T454 S456 D458	I416-H436 HydrophobicContact CG2-CB 3.67Å; I416-H436 WeakPolarHBondContact CG2-O 2.98Å; L434-H436 PolarHBondContact O-N 2.88Å; H436-N438 VanDerWaalsContact C-N 3.29Å; H436-N438 WeakPolarHBondContact CB-O 3.45Å; H436-V440 HydrophobicContact CB-CG2 4.25Å; H436-V440 VanDerWaalsContact CD2-CG2 3.43Å; H436-V440 WeakPolarHBondContact CD2-CG2 3.44Å; H436-T454 PolarHBondContact NE2-OG1 2.88Å; H436-S456 WeakPolarHBondContact ND1-CB 3.46Å; H436-D458 WeakPolarHBondContact CA-OD2 3.21Å; H436-D458 WeakPolarHBondContact CB-OD2 3.35Å; H436-D458 IonicContact CE1-OD1 3.11Å; H436-D458 IonicContact CG-OD2 3.67Å; H436-D458 IonicContact ND1-OD1 3.85Å; H436-D458 PolarHBondContact ND1-OD1 2.96Å; H436-D458 IonicContact ND1-OD2 2.72Å; H436-D458 PolarHBondContact ND1-OD2 3.47Å
437	N	95.9	Very high	94.6	Very high	134 Å²	134	45.9 Å²	45.9	72%	0.717	24%	0.243	S	C	*	.	S	Bend	trans	-87.7	-3.5	177.8	-66.7	-17.4	0	0	0	112.5	D458	N437-D458 HydrophobicContact CB-CB 3.99Å; N437-D458 PolarHBondContact N-OD2 2.78Å
438	N	95.6	Very high	94.7	Very high	64 Å²	64	42.6 Å²	42.6	34%	0.342	23%	0.231	S	C	.	.	S	Bend	trans	-153	175	-179	-151.9	-16.4	0	0	0	110.4	H436 S456 D457 D458	H436-N438 VanDerWaalsContact C-N 3.29Å; H436-N438 WeakPolarHBondContact CB-O 3.45Å; N438-S456 VanDerWaalsContact C-OG 3.24Å; N438-S456 PolarHBondContact O-OG 2.76Å; N438-D457 HydrophobicContact CB-CB 4.08Å; N438-D457 WeakPolarHBondContact ND2-CB 3.35Å; N438-D458 HydrophobicContact CB-CB 3.89Å
439	I	95	Very high	94.8	Very high	32 Å²	32	41 Å²	41	16%	0.164	23%	0.229	C	C	.	.			trans	-59.3	139	-173.5	-59.1	134.4	0	0	0	111.9	E413 I416 S456 D457	E413-I439 HydrophobicContact CB-CG2 4.12Å; E413-I439 HydrophobicContact CG-CG2 3.81Å; I416-I439 HydrophobicContact CD1-CG1 4.23Å; I439-S456 VanDerWaalsContact O-CA 3.27Å; I439-S456 WeakPolarHBondContact O-CA 3.47Å; I439-S456 PolarHBondContact O-OG 3.03Å; I439-S456 VanDerWaalsContact O-OG 3.09Å; I439-D457 PolarHBondContact O-N 2.87Å
440	V	96.8	Very high	94.9	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.03	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	113.3	175.4	177.5	0	0	0	0	109.4	T397 P411 L434 H436 C442 T454 C455	T397-V440 PolarHBondContact OG1-O 2.83Å; P411-V440 HydrophobicContact CB-CB 4.05Å; P411-V440 HydrophobicContact CB-CG1 4.09Å; P411-V440 HydrophobicContact CG-CG1 4.02Å; L434-V440 HydrophobicContact CD1-CB 4.42Å; L434-V440 HydrophobicContact CD1-CG2 3.84Å; H436-V440 HydrophobicContact CB-CG2 4.25Å; H436-V440 VanDerWaalsContact CD2-CG2 3.43Å; H436-V440 WeakPolarHBondContact CD2-CG2 3.44Å; V440-C442 WeakPolarHBondContact CG1-O 3.08Å; V440-T454 HydrophobicContact CG1-CG2 4.31Å; V440-C455 CarbonylContact C-O 3.6Å; V440-C455 WeakPolarHBondContact CA-O 3.36Å
441	R	95.4	Very high	95.3	Very high	40 Å²	40	33.9 Å²	33.9	15%	0.151	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-22	-173.3	-60.8	-73.7	-76.2	141.1	0.7	112.7	R152 H395 R396 C455 D457	R152-R441 HydrophobicContact CB-CB 4.33Å; R152-R441 HydrophobicContact CG-CB 4.27Å; R152-R441 HydrophobicContact CG-CG 4.29Å; H395-R441 VanDerWaalsContact C-NH1 3.3Å; R396-R441 PolarHBondContact O-NH1 3.26Å; R441-C455 PolarHBondContact N-O 3.39Å; R441-D457 WeakPolarHBondContact CD-OD2 3.12Å; R441-D457 VanDerWaalsContact CG-OD2 3.31Å; R441-D457 WeakPolarHBondContact CG-OD2 3.49Å; R441-D457 IonicContact NE-OD2 3.64Å
442	C	97.9	Very high	95.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	137.1	179	177.7	0	0	0	0	109.9	R152 A154 Q398 V440 C455	R152-C442 VanDerWaalsContact O-CB 3.24Å; R152-C442 WeakPolarHBondContact O-CB 3.29Å; A154-C442 PolarHBondContact N-SG 3.23Å; Q398-C442 PolarHBondContact NE2-SG 2.86Å; Q398-C442 VanDerWaalsContact NE2-SG 3.38Å; V440-C442 WeakPolarHBondContact CG1-O 3.08Å; C442-C455 HydrophobicContact CB-CB 4.12Å; C442-C455 PolarHBondContact N-O 3.28Å; C442-C455 PolarHBondContact O-N 2.72Å
443	I	98.3	Very high	95.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136.9	165.7	-177.5	171.3	0	0	0	106.8	Q398 V400 L409 P411 L418 F452 M453 T454	Q398-I443 HydrophobicContact CB-CG2 4.23Å; Q398-I443 VanDerWaalsContact O-CG2 3.25Å; Q398-I443 WeakPolarHBondContact O-CG2 3.38Å; Q398-I443 PolarHBondContact OE1-O 3.19Å; V400-I443 HydrophobicContact CG1-CG2 4.17Å; V400-I443 HydrophobicContact CG2-CD1 4.16Å; V400-I443 HydrophobicContact CG2-CG1 4.14Å; V400-I443 HydrophobicContact CG2-CG2 4.07Å; L409-I443 HydrophobicContact CB-CD1 4.42Å; P411-I443 HydrophobicContact CG-CB 3.98Å; P411-I443 HydrophobicContact CG-CD1 4.47Å; P411-I443 HydrophobicContact CG-CG2 3.69Å; L418-I443 HydrophobicContact CD1-CD1 3.53Å; L418-I443 HydrophobicContact CD2-CD1 3.99Å; L418-I443 HydrophobicContact CG-CD1 4.43Å; I443-F452 HydrophobicContact CD1-CD2 3.96Å; I443-F452 HydrophobicContact CD1-CE2 4.28Å; I443-F452 HydrophobicContact CG1-CD2 4.19Å; I443-M453 WeakPolarHBondContact CA-O 3.4Å; I443-T454 HydrophobicContact CB-CG2 4.49Å; I443-T454 HydrophobicContact CD1-CG2 4.22Å; I443-T454 HydrophobicContact CG1-CG2 4.16Å
444	V	98.3	Very high	96.1	Very high	17 Å²	17	25.2 Å²	25.2	10%	0.103	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.3	169.5	-68.2	0	0	0	0	108.6	A154 Y156 F452 M453	A154-V444 HydrophobicContact CB-CG2 3.6Å; A154-V444 WeakPolarHBondContact O-CG1 3.33Å; Y156-V444 HydrophobicContact CD2-CB 4.06Å; Y156-V444 HydrophobicContact CD2-CG2 3.7Å; Y156-V444 HydrophobicContact CE2-CB 4.46Å; Y156-V444 HydrophobicContact CE2-CG2 3.91Å; Y156-V444 WeakPolarHBondContact CE2-O 3.23Å; V444-F452 CarbonylContact O-C 3.56Å; V444-F452 VanDerWaalsContact O-CA 3.25Å; V444-F452 WeakPolarHBondContact O-CA 3.42Å; V444-F452 WeakPolarHBondContact O-CB 3.45Å; V444-M453 HydrophobicContact CG2-CB 3.96Å; V444-M453 PolarHBondContact N-O 2.84Å; V444-M453 PolarHBondContact O-N 3.31Å
445	H	98.1	Very high	96.3	Very high	19 Å²	19	25.2 Å²	25.2	9%	0.088	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	145.1	176.9	-164	-70.4	0	0	0	110.1	Y139 V400 F401 H403 N449 G451 F452	Y139-H445 AromaticContact CZ-NE2 3.95Å; Y139-H445 PolarHBondContact OH-NE2 3.28Å; Y139-H445 VanDerWaalsContact OH-NE2 3.16Å; V400-H445 HydrophobicContact CG2-CB 4.16Å; F401-H445 WeakPolarHBondContact O-CB 3.23Å; H403-H445 PolarHBondContact N-CE1 3.36Å; H403-H445 PolarHBondContact N-ND1 2.96Å; H403-H445 AromaticContact ND1-CE1 3.68Å; H445-N449 PolarHBondContact CE1-O 3.13Å; H445-N449 VanDerWaalsContact CE1-O 3.22Å; H445-G451 PolarHBondContact CE1-O 3.43Å; H445-G451 PolarHBondContact ND1-O 3.32Å; H445-F452 HydrophobicContact CB-CB 4.14Å; H445-F452 AromaticContact CD2-CD1 3.9Å
446	S	97.1	Very high	96.5	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.021	13%	0.128	C	C	.	.			trans	-60	137.8	174.5	171.6	0	0	0	0	110.1	H403 T448 N449 G451	H403-S446 WeakPolarHBondContact CB-O 3.23Å; S446-T448 PolarHBondContact O-N 3.27Å; S446-T448 PolarHBondContact OG-N 3.49Å; S446-T448 PolarHBondContact OG-OG1 3.4Å; S446-N449 WeakPolarHBondContact CB-O 3.25Å; S446-N449 PolarHBondContact OG-N 3.13Å; S446-G451 WeakPolarHBondContact CB-O 3.43Å; S446-G451 PolarHBondContact N-O 3.36Å
447	P	93.4	Very high	96.5	Very high	44 Å²	44	23.8 Å²	23.8	29%	0.286	13%	0.129	S	C	.	.	S	Bend	trans	-70.8	-20.1	175.6	28.2	-34	0	0	0	113.1	R158 K356	R158-P447 WeakPolarHBondContact O-CG 3.27Å; K356-P447 PolarHBondContact NZ-O 3.04Å
448	T	91.8	Very high	96.6	Very high	41 Å²	41	18.5 Å²	18.5	25%	0.252	10%	0.101	S	C	.	.	S	Bend	trans	-122.1	-29.4	-166.7	46.6	0	0	0	0	113.9	D159 S446	D159-T448 PolarHBondContact O-OG1 3.11Å; D159-T448 VanDerWaalsContact O-OG1 3.13Å; S446-T448 PolarHBondContact O-N 3.27Å; S446-T448 PolarHBondContact OG-N 3.49Å; S446-T448 PolarHBondContact OG-OG1 3.4Å
449	N	92.7	Very high	96.7	Very high	57 Å²	57	19.7 Å²	19.7	31%	0.305	10%	0.104	S	C	.	.	S	Bend	trans	-123.5	160	-171.3	-55.7	111.1	0	0	0	112.5	H403 H445 S446 G451 Y465	H403-N449 WeakPolarHBondContact CB-O 3.45Å; H445-N449 PolarHBondContact CE1-O 3.13Å; H445-N449 VanDerWaalsContact CE1-O 3.22Å; S446-N449 WeakPolarHBondContact CB-O 3.25Å; S446-N449 PolarHBondContact OG-N 3.13Å; N449-G451 PolarHBondContact O-N 3.14Å; N449-Y465 HydrophobicContact CB-CE2 3.8Å
450	P	94.3	Very high	96.9	Very high	26 Å²	26	23.1 Å²	23.1	17%	0.169	12%	0.115	C	C	.	.	S	Bend	trans	-75.1	65.6	170.2	33.8	-37.3	0	0	0	111	P134 Y139 Y465 R466	P134-P450 HydrophobicContact CG-CB 3.74Å; Y139-P450 HydrophobicContact CE1-CB 4.32Å; Y139-P450 WeakPolarHBondContact CE1-O 3.38Å; P450-Y465 HydrophobicContact CG-CE1 4.42Å; P450-Y465 WeakPolarHBondContact O-CA 3.26Å; P450-Y465 WeakPolarHBondContact O-CD2 3.18Å; P450-R466 HydrophobicContact CB-CB 4.22Å; P450-R466 PolarHBondContact O-N 2.61Å
451	G	96.1	Very high	96.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	151.2	175.7	0	0	0	0	0	112.5	Y156 H445 S446 N449 W464	Y156-G451 PolarHBondContact OH-O 2.97Å; H445-G451 PolarHBondContact CE1-O 3.43Å; H445-G451 PolarHBondContact ND1-O 3.32Å; S446-G451 WeakPolarHBondContact CB-O 3.43Å; S446-G451 PolarHBondContact N-O 3.36Å; N449-G451 PolarHBondContact O-N 3.14Å; G451-W464 CarbonylContact C-O 3.57Å; G451-W464 WeakPolarHBondContact CA-O 3.1Å
452	F	97.9	Very high	97.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	162.8	177.5	61.7	-97.4	0	0	0	111.5	Y139 L418 L432 L434 I443 V444 H445 T454 W464	Y139-F452 AromaticContact CD1-CD1 3.54Å; Y139-F452 HydrophobicContact CD1-CD1 3.54Å; Y139-F452 AromaticContact CD1-CE1 3.24Å; Y139-F452 HydrophobicContact CD1-CE1 3.24Å; Y139-F452 HydrophobicContact CD1-CZ 4.3Å; Y139-F452 HydrophobicContact CD2-CE1 4.31Å; Y139-F452 AromaticContact CE1-CD1 3.53Å; Y139-F452 HydrophobicContact CE1-CD1 3.53Å; Y139-F452 AromaticContact CE1-CE1 3.64Å; Y139-F452 HydrophobicContact CE1-CE1 3.64Å; Y139-F452 HydrophobicContact CG-CD1 4.33Å; Y139-F452 AromaticContact CG-CE1 3.6Å; Y139-F452 HydrophobicContact CG-CE1 3.6Å; Y139-F452 HydrophobicContact CG-CZ 4.44Å; L418-F452 HydrophobicContact CD2-CE1 4.23Å; L418-F452 HydrophobicContact CD2-CE2 3.99Å; L418-F452 HydrophobicContact CD2-CZ 3.67Å; L432-F452 HydrophobicContact CD2-CZ 3.68Å; L434-F452 HydrophobicContact CD2-CE2 4.49Å; I443-F452 HydrophobicContact CD1-CD2 3.96Å; I443-F452 HydrophobicContact CD1-CE2 4.28Å; I443-F452 HydrophobicContact CG1-CD2 4.19Å; V444-F452 CarbonylContact O-C 3.56Å; V444-F452 VanDerWaalsContact O-CA 3.25Å; V444-F452 WeakPolarHBondContact O-CA 3.42Å; V444-F452 WeakPolarHBondContact O-CB 3.45Å; H445-F452 HydrophobicContact CB-CB 4.14Å; H445-F452 AromaticContact CD2-CD1 3.9Å; F452-T454 HydrophobicContact CD2-CG2 3.9Å; F452-T454 HydrophobicContact CE2-CG2 3.76Å; F452-W464 HydrophobicContact CD1-CB 4.04Å; F452-W464 HydrophobicContact CD2-CB 3.79Å; F452-W464 AromaticContact CD2-CD1 3.62Å; F452-W464 AromaticContact CD2-CG 3.84Å; F452-W464 HydrophobicContact CD2-CG 3.84Å; F452-W464 HydrophobicContact CE1-CB 3.79Å; F452-W464 HydrophobicContact CE1-CG 4.32Å; F452-W464 HydrophobicContact CE2-CB 3.52Å; F452-W464 AromaticContact CE2-CD1 3.23Å; F452-W464 AromaticContact CE2-CD2 3.92Å; F452-W464 HydrophobicContact CE2-CD2 3.92Å; F452-W464 AromaticContact CE2-CG 3.26Å; F452-W464 HydrophobicContact CE2-CG 3.26Å; F452-W464 AromaticContact CE2-NE1 3.83Å; F452-W464 HydrophobicContact CG-CB 4.03Å; F452-W464 HydrophobicContact CZ-CB 3.5Å; F452-W464 VanDerWaalsContact CZ-CB 3.5Å; F452-W464 AromaticContact CZ-CD1 3.99Å; F452-W464 AromaticContact CZ-CD2 3.96Å; F452-W464 HydrophobicContact CZ-CD2 3.96Å; F452-W464 HydrophobicContact CZ-CE3 4.45Å; F452-W464 AromaticContact CZ-CG 3.53Å; F452-W464 HydrophobicContact CZ-CG 3.53Å; F452-W464 PolarHBondContact N-O 3.26Å; F452-W464 PolarHBondContact O-N 3.48Å
453	M	98.6	Very high	97.1	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.8	175.8	-175.8	70	90.2	0	0	109.6	A154 I163 T165 L175 M180 I443 V444 A461 R462 F463	A154-M453 HydrophobicContact CB-CB 4.33Å; A154-M453 HydrophobicContact CB-CG 3.95Å; I163-M453 HydrophobicContact CB-CE 4.29Å; I163-M453 HydrophobicContact CD1-CB 4.18Å; I163-M453 HydrophobicContact CD1-CE 4.02Å; I163-M453 HydrophobicContact CG2-CB 4.14Å; I163-M453 HydrophobicContact CG2-CE 3.79Å; I163-M453 HydrophobicContact CG2-CG 4.12Å; T165-M453 HydrophobicContact CG2-CE 4.06Å; T165-M453 HydrophobicContact CG2-CG 4.35Å; L175-M453 HydrophobicContact CD1-CE 4.33Å; L175-M453 HydrophobicContact CD2-CE 4.33Å; M180-M453 HydrophobicContact SD-CE 4.31Å; I443-M453 WeakPolarHBondContact CA-O 3.4Å; V444-M453 HydrophobicContact CG2-CB 3.96Å; V444-M453 PolarHBondContact N-O 2.84Å; V444-M453 PolarHBondContact O-N 3.31Å; M453-A461 HydrophobicContact CE-CB 4.47Å; M453-A461 HydrophobicContact CG-CB 4.36Å; M453-A461 HydrophobicContact SD-CB 3.77Å; M453-R462 WeakPolarHBondContact CA-O 3.36Å; M453-F463 HydrophobicContact CE-CB 4.07Å; M453-F463 HydrophobicContact SD-CB 4.08Å
454	T	98.6	Very high	97.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135.7	170	56.5	0	0	0	0	110.6	L434 H436 V440 I443 F452 A461 R462 W464	L434-T454 HydrophobicContact CD1-CG2 4.42Å; L434-T454 HydrophobicContact CD2-CG2 3.98Å; H436-T454 PolarHBondContact NE2-OG1 2.88Å; V440-T454 HydrophobicContact CG1-CG2 4.31Å; I443-T454 HydrophobicContact CB-CG2 4.49Å; I443-T454 HydrophobicContact CD1-CG2 4.22Å; I443-T454 HydrophobicContact CG1-CG2 4.16Å; F452-T454 HydrophobicContact CD2-CG2 3.9Å; F452-T454 HydrophobicContact CE2-CG2 3.76Å; T454-A461 CarbonylContact O-C 3.5Å; T454-A461 VanDerWaalsContact O-CA 3.22Å; T454-A461 WeakPolarHBondContact O-CA 3.11Å; T454-R462 PolarHBondContact N-O 3.48Å; T454-R462 PolarHBondContact O-N 2.95Å; T454-W464 PolarHBondContact OG1-NE1 2.95Å
455	C	98.5	Very high	97	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.8	179.7	-58	0	0	0	0	110.5	C151 A154 V440 R441 C442	C151-C455 HydrophobicContact CB-CB 4.12Å; C151-C455 CarbonylContact O-C 3.57Å; C151-C455 VanDerWaalsContact O-C 3.26Å; C151-C455 VanDerWaalsContact O-CB 3.28Å; C151-C455 WeakPolarHBondContact O-CB 3.38Å; C151-C455 VanDerWaalsContact SG-SG 3.66Å; A154-C455 WeakPolarHBondContact CB-SG 3.33Å; V440-C455 CarbonylContact C-O 3.6Å; V440-C455 WeakPolarHBondContact CA-O 3.36Å; R441-C455 PolarHBondContact N-O 3.39Å; C442-C455 HydrophobicContact CB-CB 4.12Å; C442-C455 PolarHBondContact N-O 3.28Å; C442-C455 PolarHBondContact O-N 2.72Å
456	S	98.3	Very high	96.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	156.8	-172.6	173.5	0	0	0	0	113.4	C151 H436 N438 I439 D458 F459 R460	C151-S456 PolarHBondContact N-O 3.01Å; C151-S456 CarbonylContact O-C 3.48Å; C151-S456 PolarHBondContact O-N 2.67Å; H436-S456 WeakPolarHBondContact ND1-CB 3.46Å; N438-S456 VanDerWaalsContact C-OG 3.24Å; N438-S456 PolarHBondContact O-OG 2.76Å; I439-S456 VanDerWaalsContact O-CA 3.27Å; I439-S456 WeakPolarHBondContact O-CA 3.47Å; I439-S456 PolarHBondContact O-OG 3.03Å; I439-S456 VanDerWaalsContact O-OG 3.09Å; S456-D458 VanDerWaalsContact CB-OD1 3.26Å; S456-D458 WeakPolarHBondContact CB-OD1 3.41Å; S456-D458 PolarHBondContact O-N 2.95Å; S456-D458 VanDerWaalsContact O-N 3.15Å; S456-D458 PolarHBondContact OG-N 2.8Å; S456-D458 VanDerWaalsContact OG-N 3.11Å; S456-D458 PolarHBondContact OG-OD1 3.48Å; S456-F459 PolarHBondContact O-N 3.01Å; S456-R460 PolarHBondContact N-O 3.28Å; S456-R460 VanDerWaalsContact N-O 3.14Å
457	D	97.6	Very high	95.9	Very high	16 Å²	16	31.3 Å²	31.3	9%	0.086	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-2.3	168	-73.5	-45.3	0	0	0	113	P150 R152 N438 I439 R441 F459	P150-D457 WeakPolarHBondContact CB-OD1 3.49Å; R152-D457 IonicContact CZ-OD1 3.44Å; R152-D457 IonicContact NE-OD1 3.26Å; R152-D457 PolarHBondContact NE-OD1 3.38Å; R152-D457 IonicContact NH2-OD1 3.9Å; R152-D457 PolarHBondContact NH2-OD1 2.79Å; R152-D457 VanDerWaalsContact NH2-OD1 3.07Å; N438-D457 HydrophobicContact CB-CB 4.08Å; N438-D457 WeakPolarHBondContact ND2-CB 3.35Å; I439-D457 PolarHBondContact O-N 2.87Å; R441-D457 WeakPolarHBondContact CD-OD2 3.12Å; R441-D457 VanDerWaalsContact CG-OD2 3.31Å; R441-D457 WeakPolarHBondContact CG-OD2 3.49Å; R441-D457 IonicContact NE-OD2 3.64Å; D457-F459 VanDerWaalsContact O-CD1 3.25Å; D457-F459 WeakPolarHBondContact O-CD1 3.33Å; D457-F459 WeakPolarHBondContact O-CE1 3.42Å; D457-F459 PolarHBondContact O-N 3.19Å
458	D	97.8	Very high	94.8	Very high	23 Å²	23	33.2 Å²	33.2	12%	0.123	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	7.9	169.5	75.3	2.2	0	0	0	114.2	H436 N437 N438 S456 R460	H436-D458 WeakPolarHBondContact CA-OD2 3.21Å; H436-D458 WeakPolarHBondContact CB-OD2 3.35Å; H436-D458 IonicContact CE1-OD1 3.11Å; H436-D458 IonicContact CG-OD2 3.67Å; H436-D458 IonicContact ND1-OD1 3.85Å; H436-D458 PolarHBondContact ND1-OD1 2.96Å; H436-D458 IonicContact ND1-OD2 2.72Å; H436-D458 PolarHBondContact ND1-OD2 3.47Å; N437-D458 HydrophobicContact CB-CB 3.99Å; N437-D458 PolarHBondContact N-OD2 2.78Å; N438-D458 HydrophobicContact CB-CB 3.89Å; S456-D458 VanDerWaalsContact CB-OD1 3.26Å; S456-D458 WeakPolarHBondContact CB-OD1 3.41Å; S456-D458 PolarHBondContact O-N 2.95Å; S456-D458 VanDerWaalsContact O-N 3.15Å; S456-D458 PolarHBondContact OG-N 2.8Å; S456-D458 VanDerWaalsContact OG-N 3.11Å; S456-D458 PolarHBondContact OG-OD1 3.48Å; D458-R460 PolarHBondContact O-N 2.92Å; D458-R460 WeakPolarHBondContact OD1-CA 3.29Å; D458-R460 VanDerWaalsContact OD1-CB 3.25Å; D458-R460 WeakPolarHBondContact OD1-CB 3.3Å; D458-R460 PolarHBondContact OD1-N 3.12Å
459	F	98.4	Very high	92.9	Very high	90 Å²	90	36.3 Å²	36.3	40%	0.395	18%	0.175	S	C	.	.	S	Bend	trans	76.4	2.1	177.7	-45.1	-8.1	0	0	0	113.8	H147 G149 P150 S456 D457	H147-F459 PolarHBondContact N-O 3.17Å; G149-F459 VanDerWaalsContact C-CG 3.5Å; G149-F459 WeakPolarHBondContact O-CA 3.06Å; G149-F459 VanDerWaalsContact O-CB 3.29Å; G149-F459 WeakPolarHBondContact O-CB 3.04Å; P150-F459 VanDerWaalsContact CD-CE1 3.45Å; P150-F459 HydrophobicContact CG-CD1 4.02Å; P150-F459 HydrophobicContact CG-CE1 3.83Å; P150-F459 VanDerWaalsContact N-CD1 3.26Å; S456-F459 PolarHBondContact O-N 3.01Å; D457-F459 VanDerWaalsContact O-CD1 3.25Å; D457-F459 WeakPolarHBondContact O-CD1 3.33Å; D457-F459 WeakPolarHBondContact O-CE1 3.42Å; D457-F459 PolarHBondContact O-N 3.19Å
460	R	98.5	Very high	90.6	Very high	104 Å²	104	39.7 Å²	39.7	39%	0.392	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	147.6	-177	-57.2	178	175.4	-167.6	-1.3	111.5	V144 T145 S456 D458	V144-R460 HydrophobicContact CG1-CB 4.1Å; V144-R460 HydrophobicContact CG1-CG 4.31Å; T145-R460 VanDerWaalsContact O-CA 3.26Å; T145-R460 WeakPolarHBondContact O-CA 3.45Å; S456-R460 PolarHBondContact N-O 3.28Å; S456-R460 VanDerWaalsContact N-O 3.14Å; D458-R460 PolarHBondContact O-N 2.92Å; D458-R460 WeakPolarHBondContact OD1-CA 3.29Å; D458-R460 VanDerWaalsContact OD1-CB 3.25Å; D458-R460 WeakPolarHBondContact OD1-CB 3.3Å; D458-R460 PolarHBondContact OD1-N 3.12Å
461	A	98.5	Very high	87.6	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129	161	0	0	0	0	0	108.6	T145 T165 M453 T454	T145-A461 HydrophobicContact CG2-CB 3.84Å; T145-A461 PolarHBondContact N-O 3.45Å; T145-A461 PolarHBondContact O-N 3.49Å; T165-A461 HydrophobicContact CG2-CB 3.91Å; M453-A461 HydrophobicContact CE-CB 4.47Å; M453-A461 HydrophobicContact CG-CB 4.36Å; M453-A461 HydrophobicContact SD-CB 3.77Å; T454-A461 CarbonylContact O-C 3.5Å; T454-A461 VanDerWaalsContact O-CA 3.22Å; T454-A461 WeakPolarHBondContact O-CA 3.11Å
462	R	98.6	Very high	87.2	Confident	39 Å²	39	51.7 Å²	51.7	15%	0.147	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.9	-179.9	-66.7	178.7	172.3	-115.8	-1.9	109.2	T141 V144 L434 G435 M453 T454 W464	T141-R462 HydrophobicContact CG2-CB 4.29Å; T141-R462 HydrophobicContact CG2-CG 4.43Å; V144-R462 HydrophobicContact CG1-CG 4.21Å; V144-R462 HydrophobicContact CG2-CG 4.06Å; L434-R462 WeakPolarHBondContact O-CD 3.26Å; L434-R462 PolarHBondContact O-NE 3.14Å; G435-R462 VanDerWaalsContact O-CZ 3.24Å; G435-R462 PolarHBondContact O-NH2 2.9Å; M453-R462 WeakPolarHBondContact CA-O 3.36Å; T454-R462 PolarHBondContact N-O 3.48Å; T454-R462 PolarHBondContact O-N 2.95Å; R462-W464 VanDerWaalsContact O-CD1 3.23Å
463	F	98.4	Very high	86.6	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.009	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	123.4	172.6	175.1	-117.5	0	0	0	109.3	C142 Y143 I163 T177 M180 L181 M453 Y465	C142-F463 HydrophobicContact CB-CD1 3.89Å; C142-F463 HydrophobicContact CB-CE1 4.21Å; C142-F463 PolarHBondContact N-O 2.92Å; Y143-F463 PolarHBondContact N-O 3.3Å; Y143-F463 PolarHBondContact O-N 2.84Å; I163-F463 HydrophobicContact CD1-CD2 3.74Å; I163-F463 HydrophobicContact CD1-CE2 3.95Å; T177-F463 HydrophobicContact CG2-CE2 4.15Å; T177-F463 HydrophobicContact CG2-CZ 4.23Å; M180-F463 HydrophobicContact CB-CD1 3.64Å; M180-F463 HydrophobicContact CB-CE1 3.91Å; M180-F463 HydrophobicContact CB-CG 4.47Å; M180-F463 HydrophobicContact CE-CB 4.26Å; M180-F463 HydrophobicContact CE-CD1 4Å; M180-F463 HydrophobicContact CE-CD2 3.96Å; M180-F463 HydrophobicContact CE-CE1 4.32Å; M180-F463 HydrophobicContact CE-CE2 4.29Å; M180-F463 HydrophobicContact CE-CG 3.8Å; M180-F463 HydrophobicContact CE-CZ 4.45Å; M180-F463 HydrophobicContact CG-CD1 4.33Å; M180-F463 HydrophobicContact SD-CB 3.64Å; M180-F463 HydrophobicContact SD-CD1 3.88Å; M180-F463 HydrophobicContact SD-CD2 4.44Å; M180-F463 HydrophobicContact SD-CG 3.73Å; L181-F463 HydrophobicContact CD2-CE1 3.81Å; L181-F463 HydrophobicContact CD2-CZ 4.43Å; L181-F463 HydrophobicContact CG-CE1 3.97Å; L181-F463 HydrophobicContact CG-CZ 4.47Å; M453-F463 HydrophobicContact CE-CB 4.07Å; M453-F463 HydrophobicContact SD-CB 4.08Å; F463-Y465 HydrophobicContact CE1-CD2 4.37Å; F463-Y465 HydrophobicContact CE2-CD2 4.43Å; F463-Y465 AromaticContact CZ-CD2 3.7Å; F463-Y465 HydrophobicContact CZ-CD2 3.7Å; F463-Y465 HydrophobicContact CZ-CG 4.36Å
464	W	98	Very high	86	Confident	10 Å²	10	57.3 Å²	57.3	4%	0.038	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.2	-178.9	-62.5	83.2	0	0	0	109.8	Y139 E140 T141 L432 S433 L434 G451 F452 T454 R462	Y139-W464 HydrophobicContact CD1-CB 4.35Å; E140-W464 VanDerWaalsContact O-CA 3.31Å; E140-W464 WeakPolarHBondContact O-CA 3.02Å; T141-W464 VanDerWaalsContact OG1-CH2 3.26Å; T141-W464 WeakPolarHBondContact OG1-CH2 3.49Å; T141-W464 WeakPolarHBondContact OG1-CZ2 3.07Å; T141-W464 WeakPolarHBondContact OG1-CZ3 3.48Å; L432-W464 HydrophobicContact CD1-CZ3 3.92Å; L432-W464 HydrophobicContact CD2-CD2 4.36Å; L432-W464 HydrophobicContact CD2-CE3 3.87Å; L432-W464 HydrophobicContact CD2-CH2 4.34Å; L432-W464 HydrophobicContact CD2-CZ3 3.87Å; L432-W464 HydrophobicContact CG-CH2 4.46Å; L432-W464 HydrophobicContact CG-CZ3 4.14Å; S433-W464 WeakPolarHBondContact O-CH2 3.29Å; L434-W464 HydrophobicContact CB-CZ2 4.21Å; L434-W464 HydrophobicContact CD2-CH2 4.35Å; L434-W464 HydrophobicContact CD2-CZ2 3.73Å; L434-W464 VanDerWaalsContact O-CZ2 3.3Å; L434-W464 WeakPolarHBondContact O-CZ2 3.18Å; G451-W464 CarbonylContact C-O 3.57Å; G451-W464 WeakPolarHBondContact CA-O 3.1Å; F452-W464 HydrophobicContact CD1-CB 4.04Å; F452-W464 HydrophobicContact CD2-CB 3.79Å; F452-W464 AromaticContact CD2-CD1 3.62Å; F452-W464 AromaticContact CD2-CG 3.84Å; F452-W464 HydrophobicContact CD2-CG 3.84Å; F452-W464 HydrophobicContact CE1-CB 3.79Å; F452-W464 HydrophobicContact CE1-CG 4.32Å; F452-W464 HydrophobicContact CE2-CB 3.52Å; F452-W464 AromaticContact CE2-CD1 3.23Å; F452-W464 AromaticContact CE2-CD2 3.92Å; F452-W464 HydrophobicContact CE2-CD2 3.92Å; F452-W464 AromaticContact CE2-CG 3.26Å; F452-W464 HydrophobicContact CE2-CG 3.26Å; F452-W464 AromaticContact CE2-NE1 3.83Å; F452-W464 HydrophobicContact CG-CB 4.03Å; F452-W464 HydrophobicContact CZ-CB 3.5Å; F452-W464 VanDerWaalsContact CZ-CB 3.5Å; F452-W464 AromaticContact CZ-CD1 3.99Å; F452-W464 AromaticContact CZ-CD2 3.96Å; F452-W464 HydrophobicContact CZ-CD2 3.96Å; F452-W464 HydrophobicContact CZ-CE3 4.45Å; F452-W464 AromaticContact CZ-CG 3.53Å; F452-W464 HydrophobicContact CZ-CG 3.53Å; F452-W464 PolarHBondContact N-O 3.26Å; F452-W464 PolarHBondContact O-N 3.48Å; T454-W464 PolarHBondContact OG1-NE1 2.95Å; R462-W464 VanDerWaalsContact O-CD1 3.23Å
465	Y	95.8	Very high	85.2	Confident	42 Å²	42	60.7 Å²	60.7	17%	0.165	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	145.9	176.5	-156.7	-95.7	0	0	0	110	E140 L181 N449 P450 F463	E140-Y465 PolarHBondContact N-O 3.06Å; E140-Y465 VanDerWaalsContact N-O 3.08Å; E140-Y465 PolarHBondContact O-N 3.39Å; L181-Y465 HydrophobicContact CD1-CD1 4.29Å; L181-Y465 HydrophobicContact CD1-CD2 4.27Å; L181-Y465 HydrophobicContact CD1-CE1 4.12Å; L181-Y465 HydrophobicContact CD1-CE2 4.08Å; L181-Y465 HydrophobicContact CD1-CG 4.38Å; L181-Y465 HydrophobicContact CD2-CD1 3.7Å; L181-Y465 HydrophobicContact CD2-CD2 4.11Å; L181-Y465 HydrophobicContact CD2-CE1 4.33Å; L181-Y465 HydrophobicContact CD2-CG 3.59Å; N449-Y465 HydrophobicContact CB-CE2 3.8Å; P450-Y465 HydrophobicContact CG-CE1 4.42Å; P450-Y465 WeakPolarHBondContact O-CA 3.26Å; P450-Y465 WeakPolarHBondContact O-CD2 3.18Å; F463-Y465 HydrophobicContact CE1-CD2 4.37Å; F463-Y465 HydrophobicContact CE2-CD2 4.43Å; F463-Y465 AromaticContact CZ-CD2 3.7Å; F463-Y465 HydrophobicContact CZ-CD2 3.7Å; F463-Y465 HydrophobicContact CZ-CG 4.36Å
466	R	91.6	Very high	84.4	Confident	75 Å²	75	64.5 Å²	64.5	28%	0.283	33%	0.325	S	S	.	.			trans	-90.7	107.7	169.4	-172.3	-92.1	-171.5	-168.4	-5.4	109.1	P134 E138 Y139 P450	P134-R466 HydrophobicContact CB-CB 4.21Å; P134-R466 HydrophobicContact CB-CG 3.67Å; P134-R466 HydrophobicContact CG-CB 4Å; P134-R466 HydrophobicContact CG-CG 3.96Å; E138-R466 HydrophobicContact CB-CG 3.99Å; E138-R466 IonicContact OE2-NE 3.54Å; E138-R466 PolarHBondContact OE2-NE 3.28Å; E138-R466 IonicContact OE2-NH2 2.81Å; Y139-R466 HydrophobicContact CD1-CB 4.44Å; Y139-R466 HydrophobicContact CD2-CB 4.25Å; Y139-R466 HydrophobicContact CE2-CB 4.34Å; Y139-R466 HydrophobicContact CG-CB 4.3Å; P450-R466 HydrophobicContact CB-CB 4.22Å; P450-R466 PolarHBondContact O-N 2.61Å
467	R	81	Confident	83.5	Confident	88 Å²	88	68.8 Å²	68.8	33%	0.332	35%	0.346	S	S	.	.			trans	-72	140.7	174.5	-64.4	-167.3	-173.1	140.1	-16.5	110	E140 S184 T469	E140-R467 WeakPolarHBondContact OE1-CD 3.42Å; E140-R467 WeakPolarHBondContact OE1-CG 3.4Å; E140-R467 IonicContact OE1-CZ 3.92Å; E140-R467 VanDerWaalsContact OE1-CZ 3.26Å; E140-R467 IonicContact OE1-NE 3.7Å; E140-R467 PolarHBondContact OE1-NE 3.3Å; E140-R467 IonicContact OE1-NH1 2.75Å; E140-R467 PolarHBondContact OE1-NH1 3.34Å; E140-R467 IonicContact OE2-NH1 3.87Å; S184-R467 VanDerWaalsContact C-NH2 3.34Å; S184-R467 PolarHBondContact O-NH2 3.28Å; S184-R467 PolarHBondContact OG-NH2 3.02Å; R467-T469 PolarHBondContact O-N 2.91Å
468	S	68.9	Low	82.5	Confident	83 Å²	83	72.6 Å²	72.6	58%	0.58	37%	0.365	S	S	*	.			trans	-63.5	118.3	166.9	48.5	0	0	0	0	108	T470	S468-T470 PolarHBondContact O-N 3.28Å
469	T	52.8	Low	81.3	Confident	107 Å²	107	76.4 Å²	76.4	66%	0.656	38%	0.383	S	S	*	.			trans	-61.2	93.8	162.5	39.6	0	0	0	0	107.3	R467 D471	R467-T469 PolarHBondContact O-N 2.91Å; T469-D471 PolarHBondContact O-N 3.01Å
470	T	44.7	Very low	79.9	Confident	127 Å²	127	75.3 Å²	75.3	78%	0.779	38%	0.383	S	S	*	.			trans	-74.7	98.3	159.1	47.3	0	0	0	0	105.7	S468	S468-T470 PolarHBondContact O-N 3.28Å
471	D	31.6	Very low	78.2	Confident	226 Å²	226	72.6 Å²	72.6	100%	1.209	38%	0.382	S	S	*	.			trans	-64.4	0	162	-79.2	-23	0	0	0	110.6	T469	T469-D471 PolarHBondContact O-N 3.01Å

Retrieved 471 of 471 residues in 646.4 ms (Link to these results)

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