Q6UEH7_SCHMA Loading...

Mothers against decapentaplegic homolog AlphaSync

AlphaFold DB , UniProt , Accession Q6UEH7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene Smad4, Length 738 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	34.7	Very low	232 Å²	232	159.5 Å²	159.5	100%	1.143	83%	0.834	S	S	*	*				0	147.2	0	-66.4	-177.6	-170.6	0	0	108.2	V3	M1-V3 PolarHBondContact O-N 2.93Å
2	L	34.6	Very low	34.4	Very low	178 Å²	178	161.3 Å²	161.3	93%	0.932	84%	0.844	S	S	*	*			trans	-70	118.8	175.2	-68.9	163.2	0	0	0	109.2
3	V	37.4	Very low	34.1	Very low	136 Å²	136	165.2 Å²	165.2	82%	0.824	84%	0.841	S	S	*	*			trans	-105	106.5	171.5	-179.6	0	0	0	0	107.1	M1	M1-V3 PolarHBondContact O-N 2.93Å
4	L	38.2	Very low	34.1	Very low	156 Å²	156	161.7 Å²	161.7	82%	0.817	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-73.8	137.9	173.2	-68.2	168.7	0	0	0	109.3
5	P	36.1	Very low	34.2	Very low	120 Å²	120	154.5 Å²	154.5	78%	0.779	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-71.1	144.6	178	27.6	-31.8	0	0	0	111.8
6	N	33.6	Very low	34.2	Very low	124 Å²	124	153.6 Å²	153.6	66%	0.663	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-73.1	126	-176.4	-174.3	17.7	0	0	0	111.6	Y8	N6-Y8 PolarHBondContact O-N 2.85Å; N6-Y8 VanDerWaalsContact O-N 3.1Å; N6-Y8 WeakPolarHBondContact OD1-CD2 3.18Å
7	P	37.3	Very low	33.8	Very low	114 Å²	114	151.2 Å²	151.2	74%	0.74	82%	0.815	S	S	*	*	S	Bend	trans	-81.2	21.7	-174.1	33.6	-37.7	0	0	0	115.4
8	Y	36.4	Very low	33.7	Very low	204 Å²	204	147.4 Å²	147.4	80%	0.8	81%	0.808	S	S	*	*			trans	-106.2	38.2	-176.6	-75.2	-72.1	0	0	0	114.2	N6	N6-Y8 PolarHBondContact O-N 2.85Å; N6-Y8 VanDerWaalsContact O-N 3.1Å; N6-Y8 WeakPolarHBondContact OD1-CD2 3.18Å
9	Q	31.2	Very low	33.5	Very low	182 Å²	182	147.4 Å²	147.4	85%	0.85	80%	0.803	S	S	*	*			trans	-141.5	78.3	172.7	-165.4	173	4.9	0	0	111.5
10	L	32.8	Very low	33.3	Very low	170 Å²	170	145.8 Å²	145.8	89%	0.89	80%	0.804	S	S	*	*			trans	-129.3	132.3	164.2	-87.4	168.2	0	0	0	109.7
11	D	30.8	Very low	33.4	Very low	138 Å²	138	144 Å²	144	74%	0.738	79%	0.788	S	S	*	*			trans	-43.9	146.1	-165.2	-84.8	-50.6	0	0	0	117.7	R13	D11-R13 HydrophobicContact CB-CB 4.39Å; D11-R13 PolarHBondContact O-N 3.46Å
12	L	31.8	Very low	33.2	Very low	181 Å²	181	139.3 Å²	139.3	95%	0.948	77%	0.767	S	S	*	*			trans	-65.1	75.2	151.7	-97.6	71.6	0	0	0	110.2
13	R	30.3	Very low	33.2	Very low	213 Å²	213	136.6 Å²	136.6	80%	0.804	76%	0.764	S	S	*	*			trans	-122.1	74.6	162.6	-98.1	-176.3	164.1	164.5	-4.1	109.7	D11 G15	D11-R13 HydrophobicContact CB-CB 4.39Å; D11-R13 PolarHBondContact O-N 3.46Å; R13-G15 PolarHBondContact O-N 3.39Å
14	A	34	Very low	33.1	Very low	116 Å²	116	134.7 Å²	134.7	96%	0.959	76%	0.756	S	S	*	*			trans	-70.7	62	161.1	0	0	0	0	0	110.2
15	G	34.9	Very low	32.9	Very low	53 Å²	53	135.7 Å²	135.7	55%	0.546	76%	0.757	S	S	.	*			trans	-106.8	110.3	176.3	0	0	0	0	0	110.4	R13 C17	R13-G15 PolarHBondContact O-N 3.39Å; G15-C17 PolarHBondContact O-N 3.38Å
16	Q	34.1	Very low	33	Very low	141 Å²	141	134.4 Å²	134.4	66%	0.659	74%	0.743	S	S	*	*			trans	32.6	74.8	152.9	-65.8	172.9	-31.9	0	0	117	A18 A607	Q16-A18 PolarHBondContact O-N 3.43Å; Q16-A18 VanDerWaalsContact O-N 3.07Å; Q16-A607 PolarHBondContact NE2-O 3.3Å
17	C	28.3	Very low	33.2	Very low	112 Å²	112	135.4 Å²	135.4	76%	0.757	75%	0.748	S	S	*	*			trans	-80.5	64.7	154.4	-93.9	0	0	0	0	110.5	G15 M19	G15-C17 PolarHBondContact O-N 3.38Å; C17-M19 PolarHBondContact O-N 2.9Å
18	A	31.6	Very low	33.3	Very low	84 Å²	84	132.6 Å²	132.6	69%	0.694	73%	0.73	S	S	*	*			trans	-76	74.8	164.1	0	0	0	0	0	108.7	Q16 S20	Q16-A18 PolarHBondContact O-N 3.43Å; Q16-A18 VanDerWaalsContact O-N 3.07Å; A18-S20 VanDerWaalsContact C-N 3.35Å; A18-S20 PolarHBondContact O-N 3.14Å
19	M	30.8	Very low	33.8	Very low	146 Å²	146	125 Å²	125	72%	0.719	71%	0.714	S	S	*	*			trans	-70.9	91.8	171.9	-67.8	-70.6	-162	0	0	108.7	C17 F21	C17-M19 PolarHBondContact O-N 2.9Å; M19-F21 PolarHBondContact O-N 2.85Å
20	S	29.5	Very low	35	Very low	116 Å²	116	118.5 Å²	118.5	81%	0.811	69%	0.689	S	S	*	*			trans	-64.7	97.8	171.8	-60	0	0	0	0	109.9	A18 N22	A18-S20 VanDerWaalsContact C-N 3.35Å; A18-S20 PolarHBondContact O-N 3.14Å; S20-N22 PolarHBondContact O-N 3.4Å; S20-N22 VanDerWaalsContact O-N 3.13Å
21	F	34.3	Very low	36.5	Very low	108 Å²	108	115.1 Å²	115.1	47%	0.474	68%	0.677	S	S	.	*			trans	-65.7	110.5	169.6	-87.7	-88.5	0	0	0	109.3	M19 S23 L26 V36	M19-F21 PolarHBondContact O-N 2.85Å; F21-S23 PolarHBondContact O-N 3.13Å; F21-L26 HydrophobicContact CD1-CD1 4.24Å; F21-L26 HydrophobicContact CE1-CD1 4.35Å; F21-V36 HydrophobicContact CZ-CG1 4.38Å
22	N	29.1	Very low	38.5	Very low	133 Å²	133	113.7 Å²	113.7	71%	0.711	67%	0.67	S	S	*	*			trans	-82.8	106.6	172.3	-145	6.5	0	0	0	107.5	S20 S24	S20-N22 PolarHBondContact O-N 3.4Å; S20-N22 VanDerWaalsContact O-N 3.13Å; N22-S24 PolarHBondContact O-N 3.24Å
23	S	34.2	Very low	40.9	Very low	122 Å²	122	106.7 Å²	106.7	85%	0.853	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	8.2	-168.1	-56.1	0	0	0	0	116.3	F21	F21-S23 PolarHBondContact O-N 3.13Å
24	S	36.6	Very low	43.3	Very low	95 Å²	95	98.3 Å²	98.3	66%	0.664	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	7.6	-167.8	45.9	0	0	0	0	115.2	N22	N22-S24 PolarHBondContact O-N 3.24Å
25	Q	33.3	Very low	45.9	Very low	177 Å²	177	97.2 Å²	97.2	83%	0.827	59%	0.588	S	S	*	*			trans	-148.8	23.8	-169.4	-134.9	170.6	10.6	0	0	117.8
26	L	38.4	Very low	48.4	Very low	94 Å²	94	98.6 Å²	98.6	49%	0.492	59%	0.586	S	S	.	*			trans	-101.3	99.3	177.4	-70.8	176	0	0	0	112.9	F21 V33	F21-L26 HydrophobicContact CD1-CD1 4.24Å; F21-L26 HydrophobicContact CE1-CD1 4.35Å; L26-V33 HydrophobicContact CD2-CG2 4.44Å
27	D	36.9	Very low	51.1	Low	144 Å²	144	92.7 Å²	92.7	77%	0.77	56%	0.558	S	S	*	*			trans	-73.9	119.9	159	-179.4	19.3	0	0	0	109.2	G29	D27-G29 PolarHBondContact O-N 2.87Å
28	C	39.2	Very low	54.1	Low	55 Å²	55	87.4 Å²	87.4	37%	0.372	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	20.6	-164.8	-160.9	0	0	0	0	114.2	K66	C28-K66 WeakPolarHBondContact O-CE 3.26Å; C28-K66 PolarHBondContact O-NZ 3.02Å
29	G	47.7	Very low	56.8	Low	45 Å²	45	89.1 Å²	89.1	46%	0.464	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-52.9	-173.8	0	0	0	0	0	115.1	D27 K66	D27-G29 PolarHBondContact O-N 2.87Å; G29-K66 PolarHBondContact O-NZ 2.96Å
30	S	55.8	Low	59.6	Low	46 Å²	46	83.5 Å²	83.5	32%	0.322	49%	0.492	S	S	.	.			trans	-74.4	152.2	-155.3	81.2	0	0	0	0	115.3	D32	S30-D32 PolarHBondContact O-N 3.37Å
31	P	64.1	Low	62.6	Low	98 Å²	98	78 Å²	78	64%	0.636	45%	0.453	S	S	*	.	H	α-helix	trans	-65.4	-24.6	173.5	27.2	-35	0	0	0	113.1	V33 V34 T35	P31-V33 VanDerWaalsContact C-N 3.35Å; P31-V33 PolarHBondContact O-N 3.4Å; P31-V34 PolarHBondContact O-N 2.96Å; P31-T35 PolarHBondContact O-N 3.08Å
32	D	74	Confident	65.3	Low	109 Å²	109	74.1 Å²	74.1	58%	0.583	44%	0.437	S	S	*	.	H	α-helix	trans	-64.8	-37.5	-177.1	-52.1	-54.5	0	0	0	112.3	S30 V34 T35 V36	S30-D32 PolarHBondContact O-N 3.37Å; D32-V34 VanDerWaalsContact C-N 3.3Å; D32-V34 PolarHBondContact O-N 3.09Å; D32-T35 PolarHBondContact O-N 2.77Å; D32-T35 VanDerWaalsContact O-N 3.14Å; D32-V36 WeakPolarHBondContact O-CG2 3.39Å; D32-V36 PolarHBondContact O-N 2.88Å
33	V	81.2	Confident	68.2	Low	34 Å²	34	72 Å²	72	21%	0.206	43%	0.432	C	S	.	.	H	α-helix	trans	-60.2	-41	178.2	178.1	0	0	0	0	111.2	L26 P31 T35 V36 I37	L26-V33 HydrophobicContact CD2-CG2 4.44Å; P31-V33 VanDerWaalsContact C-N 3.35Å; P31-V33 PolarHBondContact O-N 3.4Å; V33-T35 VanDerWaalsContact C-N 3.34Å; V33-T35 PolarHBondContact O-N 3.48Å; V33-V36 PolarHBondContact O-N 3.41Å; V33-I37 HydrophobicContact CG1-CD1 3.77Å; V33-I37 HydrophobicContact CG1-CG1 4.4Å; V33-I37 VanDerWaalsContact O-CG1 3.3Å; V33-I37 WeakPolarHBondContact O-CG1 3.37Å; V33-I37 PolarHBondContact O-N 3.33Å
34	V	82.3	Confident	70.8	Confident	37 Å²	37	69.7 Å²	69.7	22%	0.224	41%	0.407	C	S	.	.	H	α-helix	trans	-62.3	-44.5	176.7	175.1	0	0	0	0	110.3	P31 D32 I37 V38 V62 K66	P31-V34 PolarHBondContact O-N 2.96Å; D32-V34 VanDerWaalsContact C-N 3.3Å; D32-V34 PolarHBondContact O-N 3.09Å; V34-I37 PolarHBondContact O-N 3.37Å; V34-V38 HydrophobicContact CG1-CG2 4.36Å; V34-V38 WeakPolarHBondContact O-CB 3.38Å; V34-V38 WeakPolarHBondContact O-CG2 3.48Å; V34-V38 PolarHBondContact O-N 2.92Å; V34-V62 HydrophobicContact CB-CG1 4.46Å; V34-V62 HydrophobicContact CG1-CG1 3.9Å; V34-V62 HydrophobicContact CG2-CG1 4.46Å; V34-K66 HydrophobicContact CG2-CD 4.3Å
35	T	86.8	Confident	73.3	Confident	93 Å²	93	68.2 Å²	68.2	57%	0.571	39%	0.387	S	S	*	.	H	α-helix	trans	-64.4	-41.1	178.4	-62.4	0	0	0	0	112.3	P31 D32 V33 V38 H39	P31-T35 PolarHBondContact O-N 3.08Å; D32-T35 PolarHBondContact O-N 2.77Å; D32-T35 VanDerWaalsContact O-N 3.14Å; V33-T35 VanDerWaalsContact C-N 3.34Å; V33-T35 PolarHBondContact O-N 3.48Å; T35-V38 PolarHBondContact O-N 3.48Å; T35-H39 WeakPolarHBondContact O-CB 3.4Å; T35-H39 PolarHBondContact O-N 2.91Å
36	V	88.8	Confident	75.8	Confident	81 Å²	81	62.8 Å²	62.8	49%	0.491	36%	0.361	S	S	.	.	H	α-helix	trans	-64.4	-44	176.4	171.7	0	0	0	0	111.5	F21 D32 V33 H39 S40	F21-V36 HydrophobicContact CZ-CG1 4.38Å; D32-V36 WeakPolarHBondContact O-CG2 3.39Å; D32-V36 PolarHBondContact O-N 2.88Å; V33-V36 PolarHBondContact O-N 3.41Å; V36-H39 PolarHBondContact O-N 2.96Å; V36-S40 PolarHBondContact O-N 2.93Å
37	I	89.3	Confident	77.5	Confident	17 Å²	17	63.6 Å²	63.6	9%	0.087	38%	0.375	C	S	.	.	H	α-helix	trans	-66	-43.8	177.5	-66.7	170.9	0	0	0	110.8	V33 V34 H39 S40 L41 V62 L72 V76	V33-I37 HydrophobicContact CG1-CD1 3.77Å; V33-I37 HydrophobicContact CG1-CG1 4.4Å; V33-I37 VanDerWaalsContact O-CG1 3.3Å; V33-I37 WeakPolarHBondContact O-CG1 3.37Å; V33-I37 PolarHBondContact O-N 3.33Å; V34-I37 PolarHBondContact O-N 3.37Å; I37-H39 VanDerWaalsContact C-N 3.31Å; I37-H39 PolarHBondContact O-N 3.37Å; I37-S40 PolarHBondContact O-N 2.96Å; I37-L41 HydrophobicContact CG2-CD1 3.96Å; I37-L41 HydrophobicContact CG2-CG 4.27Å; I37-L41 WeakPolarHBondContact O-CB 3.46Å; I37-L41 WeakPolarHBondContact O-CG 3.42Å; I37-L41 PolarHBondContact O-N 3.38Å; I37-V62 HydrophobicContact CB-CG1 4.49Å; I37-V62 HydrophobicContact CG2-CG1 4.21Å; I37-V62 HydrophobicContact CG2-CG2 3.95Å; I37-L72 HydrophobicContact CD1-CD2 3.81Å; I37-L72 HydrophobicContact CD1-CG 4.34Å; I37-L72 HydrophobicContact CG2-CD1 4.14Å; I37-V76 HydrophobicContact CG2-CG2 3.97Å
38	V	91.2	Very high	79.2	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.012	36%	0.357	C	S	.	.	H	α-helix	trans	-58.7	-43.6	174.5	167.9	0	0	0	0	111	V34 T35 L41 M42 I58 E59 V62	V34-V38 HydrophobicContact CG1-CG2 4.36Å; V34-V38 WeakPolarHBondContact O-CB 3.38Å; V34-V38 WeakPolarHBondContact O-CG2 3.48Å; V34-V38 PolarHBondContact O-N 2.92Å; T35-V38 PolarHBondContact O-N 3.48Å; V38-L41 PolarHBondContact O-N 2.98Å; V38-M42 HydrophobicContact CG1-CG 4.42Å; V38-M42 WeakPolarHBondContact O-CB 3.42Å; V38-M42 VanDerWaalsContact O-CG 3.26Å; V38-M42 WeakPolarHBondContact O-CG 3.3Å; V38-M42 PolarHBondContact O-N 2.98Å; V38-I58 HydrophobicContact CB-CG2 4.42Å; V38-I58 HydrophobicContact CG1-CG2 4.3Å; V38-I58 HydrophobicContact CG2-CG2 4.22Å; V38-E59 HydrophobicContact CB-CG 4.42Å; V38-E59 HydrophobicContact CG1-CG 3.7Å; V38-E59 HydrophobicContact CG2-CB 4.48Å; V38-E59 HydrophobicContact CG2-CG 3.84Å; V38-V62 HydrophobicContact CG2-CB 4.23Å; V38-V62 HydrophobicContact CG2-CG2 4.01Å
39	H	89.4	Confident	81.4	Confident	119 Å²	119	57 Å²	57	55%	0.551	34%	0.344	S	S	*	.	H	α-helix	trans	-61.8	-48.7	177	-173.9	-84.9	0	0	0	111.6	T35 V36 I37 L41 M42 C43	T35-H39 WeakPolarHBondContact O-CB 3.4Å; T35-H39 PolarHBondContact O-N 2.91Å; V36-H39 PolarHBondContact O-N 2.96Å; I37-H39 VanDerWaalsContact C-N 3.31Å; I37-H39 PolarHBondContact O-N 3.37Å; H39-L41 PolarHBondContact O-N 3.06Å; H39-M42 PolarHBondContact O-N 3Å; H39-C43 PolarHBondContact O-N 2.79Å; H39-C43 VanDerWaalsContact O-N 3.1Å; H39-C43 PolarHBondContact O-SG 2.74Å
40	S	90	Very high	83.3	Confident	29 Å²	29	57.8 Å²	57.8	20%	0.203	34%	0.343	C	S	.	.	H	α-helix	trans	-57.2	-48.1	176.1	176.3	0	0	0	0	112.1	V36 I37 M42 C43 H44	V36-S40 PolarHBondContact O-N 2.93Å; I37-S40 PolarHBondContact O-N 2.96Å; S40-M42 VanDerWaalsContact C-N 3.31Å; S40-M42 PolarHBondContact O-N 3.29Å; S40-C43 WeakPolarHBondContact O-CB 3.48Å; S40-C43 PolarHBondContact O-N 3.01Å; S40-C43 VanDerWaalsContact O-N 3.16Å; S40-H44 PolarHBondContact O-CD2 2.93Å; S40-H44 VanDerWaalsContact O-CD2 3.31Å
41	L	91.3	Very high	84.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-67.6	-28.3	179.1	-68.3	-178.8	0	0	0	113.5	I37 V38 H39 H44 I58 V62 L75 V76 I79 W117	I37-L41 HydrophobicContact CG2-CD1 3.96Å; I37-L41 HydrophobicContact CG2-CG 4.27Å; I37-L41 WeakPolarHBondContact O-CB 3.46Å; I37-L41 WeakPolarHBondContact O-CG 3.42Å; I37-L41 PolarHBondContact O-N 3.38Å; V38-L41 PolarHBondContact O-N 2.98Å; H39-L41 PolarHBondContact O-N 3.06Å; L41-H44 PolarHBondContact O-N 3.38Å; L41-I58 HydrophobicContact CB-CD1 4.34Å; L41-I58 HydrophobicContact CB-CG2 3.81Å; L41-I58 HydrophobicContact CD1-CG2 3.96Å; L41-V62 HydrophobicContact CD1-CG2 3.96Å; L41-L75 HydrophobicContact CD1-CD2 4.4Å; L41-V76 HydrophobicContact CD2-CG2 4.2Å; L41-I79 HydrophobicContact CD2-CB 4.17Å; L41-I79 HydrophobicContact CD2-CD1 3.66Å; L41-I79 HydrophobicContact CD2-CG2 4.11Å; L41-W117 HydrophobicContact CB-CZ2 4.21Å; L41-W117 HydrophobicContact CD1-CZ2 4.41Å; L41-W117 PolarHBondContact O-NE1 2.9Å; L41-W117 VanDerWaalsContact O-NE1 3.08Å
42	M	91.4	Very high	86	Confident	27 Å²	27	61.8 Å²	61.8	13%	0.133	35%	0.348	C	S	.	.	H	α-helix	trans	-70.9	-31	172.3	-80.1	-72.5	-69.6	0	0	112.6	V38 H39 S40 H44 R45 E51 A54 R55 I58	V38-M42 HydrophobicContact CG1-CG 4.42Å; V38-M42 WeakPolarHBondContact O-CB 3.42Å; V38-M42 VanDerWaalsContact O-CG 3.26Å; V38-M42 WeakPolarHBondContact O-CG 3.3Å; V38-M42 PolarHBondContact O-N 2.98Å; H39-M42 PolarHBondContact O-N 3Å; S40-M42 VanDerWaalsContact C-N 3.31Å; S40-M42 PolarHBondContact O-N 3.29Å; M42-H44 PolarHBondContact O-N 3.41Å; M42-R45 WeakPolarHBondContact O-CB 3.3Å; M42-R45 PolarHBondContact O-N 3.17Å; M42-R45 VanDerWaalsContact O-N 3.11Å; M42-E51 HydrophobicContact CE-CG 3.61Å; M42-A54 HydrophobicContact SD-CB 4.34Å; M42-R55 HydrophobicContact CE-CB 3.96Å; M42-R55 HydrophobicContact SD-CB 4.04Å; M42-I58 HydrophobicContact CG-CD1 4.04Å; M42-I58 HydrophobicContact SD-CD1 3.76Å
43	C	90.5	Very high	86.8	Confident	89 Å²	89	57.1 Å²	57.1	60%	0.601	32%	0.322	S	S	*	.	H	α-helix	trans	-64	-23.5	175	-63.9	0	0	0	0	113.3	H39 S40	H39-C43 PolarHBondContact O-N 2.79Å; H39-C43 VanDerWaalsContact O-N 3.1Å; H39-C43 PolarHBondContact O-SG 2.74Å; S40-C43 WeakPolarHBondContact O-CB 3.48Å; S40-C43 PolarHBondContact O-N 3.01Å; S40-C43 VanDerWaalsContact O-N 3.16Å
44	H	88.9	Confident	87.4	Confident	73 Å²	73	55.5 Å²	55.5	34%	0.338	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	7.7	176.2	-65.7	-79	0	0	0	113.6	S40 L41 M42 I79	S40-H44 PolarHBondContact O-CD2 2.93Å; S40-H44 VanDerWaalsContact O-CD2 3.31Å; L41-H44 PolarHBondContact O-N 3.38Å; M42-H44 PolarHBondContact O-N 3.41Å; H44-I79 HydrophobicContact CB-CG2 3.43Å; H44-I79 VanDerWaalsContact CB-CG2 3.43Å
45	R	88.7	Confident	87.8	Confident	64 Å²	64	58.3 Å²	58.3	24%	0.242	32%	0.319	C	S	.	.			trans	-71	137.6	-178.6	-177.9	-175.1	82.7	92.3	-20.1	112	M42 E49 A54 I116	M42-R45 WeakPolarHBondContact O-CB 3.3Å; M42-R45 PolarHBondContact O-N 3.17Å; M42-R45 VanDerWaalsContact O-N 3.11Å; R45-E49 PolarHBondContact NH1-O 3.16Å; R45-A54 HydrophobicContact CG-CB 4.33Å; R45-I116 WeakPolarHBondContact CA-O 3.39Å; R45-I116 HydrophobicContact CG-CG2 4.3Å
46	Q	85.5	Confident	88.1	Confident	62 Å²	62	60.5 Å²	60.5	29%	0.29	32%	0.317	S	S	.	.			trans	-89.9	154.2	167.3	-63.8	-177.9	-15.9	0	0	112.5	G48 I116 R118 P120	Q46-G48 PolarHBondContact O-N 3.25Å; Q46-I116 PolarHBondContact N-O 3.3Å; Q46-R118 VanDerWaalsContact CD-C 3.44Å; Q46-R118 VanDerWaalsContact NE2-C 3.35Å; Q46-R118 PolarHBondContact NE2-O 3.48Å; Q46-R118 PolarHBondContact OE1-O 3.17Å; Q46-R118 VanDerWaalsContact OE1-O 3.05Å; Q46-P120 HydrophobicContact CB-CB 4.42Å; Q46-P120 VanDerWaalsContact OE1-CD 3.27Å
47	S	73.9	Confident	88.3	Confident	111 Å²	111	56.7 Å²	56.7	78%	0.776	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	23.2	-168.8	48.8	0	0	0	0	116.3
48	G	74.2	Confident	88.5	Confident	38 Å²	38	55.9 Å²	55.9	39%	0.392	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-54.7	-175.8	0	0	0	0	0	115.9	Q46 P120	Q46-G48 PolarHBondContact O-N 3.25Å; G48-P120 VanDerWaalsContact CA-CB 3.44Å
49	E	83.9	Confident	88.5	Confident	22 Å²	22	59.2 Å²	59.2	10%	0.103	31%	0.305	C	S	.	.	S	Bend	trans	-92.5	159.2	178.3	-65.2	-74.9	159.1	0	0	111.2	R45 F53 R105 I112 R115	R45-E49 PolarHBondContact NH1-O 3.16Å; E49-F53 HydrophobicContact CB-CD1 4.26Å; E49-F53 HydrophobicContact CG-CD1 4.37Å; E49-R105 IonicContact OE1-NH2 2.79Å; E49-R105 IonicContact OE2-CZ 2.86Å; E49-R105 VanDerWaalsContact OE2-CZ 3.29Å; E49-R105 IonicContact OE2-NH1 3.18Å; E49-R105 PolarHBondContact OE2-NH1 3.3Å; E49-R105 IonicContact OE2-NH2 2.68Å; E49-R105 PolarHBondContact OE2-NH2 2.91Å; E49-I112 HydrophobicContact CG-CD1 3.95Å; E49-R115 WeakPolarHBondContact OE1-CD 3.44Å; E49-R115 IonicContact OE1-CZ 3.8Å; E49-R115 IonicContact OE1-NE 3.69Å; E49-R115 IonicContact OE1-NH1 3.1Å; E49-R115 PolarHBondContact OE1-NH1 2.84Å
50	S	87.2	Confident	88.6	Confident	62 Å²	62	55.3 Å²	55.3	43%	0.434	29%	0.291	S	S	.	.			trans	-61.3	145.3	173.6	65.9	0	0	0	0	111	E52 F53 A54	S50-E52 VanDerWaalsContact C-N 3.32Å; S50-E52 WeakPolarHBondContact CB-OE2 3.46Å; S50-E52 PolarHBondContact O-N 2.93Å; S50-F53 PolarHBondContact O-N 2.86Å; S50-F53 VanDerWaalsContact O-N 3.1Å; S50-F53 WeakPolarHBondContact OG-CB 3.25Å; S50-A54 PolarHBondContact O-N 2.93Å
51	E	87.5	Confident	88.7	Confident	111 Å²	111	54 Å²	54	52%	0.519	28%	0.282	S	S	.	.	H	α-helix	trans	-59.6	-40.9	-174	-167.3	179.4	134.8	0	0	112.8	M42 F53 A54 R55	M42-E51 HydrophobicContact CE-CG 3.61Å; E51-F53 VanDerWaalsContact C-N 3.31Å; E51-F53 PolarHBondContact O-N 3.31Å; E51-A54 PolarHBondContact O-N 2.65Å; E51-R55 VanDerWaalsContact O-CB 3.23Å; E51-R55 WeakPolarHBondContact O-CB 3.12Å; E51-R55 PolarHBondContact O-N 3.22Å
52	E	89.4	Confident	88.8	Confident	117 Å²	117	54 Å²	54	55%	0.547	28%	0.282	S	S	.	.	H	α-helix	trans	-66.6	-35.3	179.5	-48.1	81	175.9	0	0	111.5	S50 R56	S50-E52 VanDerWaalsContact C-N 3.32Å; S50-E52 WeakPolarHBondContact CB-OE2 3.46Å; S50-E52 PolarHBondContact O-N 2.93Å; E52-R56 WeakPolarHBondContact O-CB 3.28Å; E52-R56 WeakPolarHBondContact O-CD 3.21Å; E52-R56 WeakPolarHBondContact O-CG 3.41Å; E52-R56 PolarHBondContact O-N 3.41Å; E52-R56 VanDerWaalsContact O-N 3.14Å
53	F	91.7	Very high	88.7	Confident	11 Å²	11	60.8 Å²	60.8	5%	0.048	31%	0.311	C	S	.	.	H	α-helix	trans	-71.8	-46.9	175.8	-175.2	-92	0	0	0	111.5	E49 S50 E51 R56 A57 I102 A103 R105 I112	E49-F53 HydrophobicContact CB-CD1 4.26Å; E49-F53 HydrophobicContact CG-CD1 4.37Å; S50-F53 PolarHBondContact O-N 2.86Å; S50-F53 VanDerWaalsContact O-N 3.1Å; S50-F53 WeakPolarHBondContact OG-CB 3.25Å; E51-F53 VanDerWaalsContact C-N 3.31Å; E51-F53 PolarHBondContact O-N 3.31Å; F53-R56 PolarHBondContact O-N 2.81Å; F53-A57 WeakPolarHBondContact O-CB 3.19Å; F53-A57 PolarHBondContact O-N 2.86Å; F53-I102 HydrophobicContact CE2-CB 4.13Å; F53-I102 HydrophobicContact CE2-CG2 4.06Å; F53-I102 WeakPolarHBondContact CE2-O 3.46Å; F53-I102 HydrophobicContact CZ-CB 3.96Å; F53-I102 HydrophobicContact CZ-CG2 4.07Å; F53-A103 HydrophobicContact CD2-CB 4.27Å; F53-A103 HydrophobicContact CE2-CB 4.35Å; F53-R105 VanDerWaalsContact CD1-NH1 3.27Å; F53-R105 VanDerWaalsContact CD2-NH1 3.3Å; F53-R105 HydrophobicContact CE2-CB 3.94Å; F53-R105 HydrophobicContact CE2-CG 4.22Å; F53-R105 HydrophobicContact CZ-CB 4.33Å; F53-I112 HydrophobicContact CE1-CD1 3.89Å; F53-I112 HydrophobicContact CE1-CG1 4.03Å
54	A	92.4	Very high	88.7	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-43.9	178.2	0	0	0	0	0	111.5	M42 R45 S50 E51 R56 A57 I58 I116	M42-A54 HydrophobicContact SD-CB 4.34Å; R45-A54 HydrophobicContact CG-CB 4.33Å; S50-A54 PolarHBondContact O-N 2.93Å; E51-A54 PolarHBondContact O-N 2.65Å; A54-R56 PolarHBondContact O-N 3.41Å; A54-A57 WeakPolarHBondContact O-CB 3.38Å; A54-A57 PolarHBondContact O-N 3.42Å; A54-I58 WeakPolarHBondContact O-CG1 3.45Å; A54-I58 PolarHBondContact O-N 3.46Å; A54-I116 HydrophobicContact CB-CG1 4.43Å
55	R	92.1	Very high	88.8	Confident	97 Å²	97	58 Å²	58	37%	0.366	29%	0.287	S	S	.	.	H	α-helix	trans	-54.8	-53.3	172.8	173	177.3	-90.6	-86	8.4	111.3	M42 E51 A57 I58 E59	M42-R55 HydrophobicContact CE-CB 3.96Å; M42-R55 HydrophobicContact SD-CB 4.04Å; E51-R55 VanDerWaalsContact O-CB 3.23Å; E51-R55 WeakPolarHBondContact O-CB 3.12Å; E51-R55 PolarHBondContact O-N 3.22Å; R55-A57 VanDerWaalsContact C-N 3.29Å; R55-A57 PolarHBondContact O-N 2.93Å; R55-I58 PolarHBondContact O-N 3.45Å; R55-E59 WeakPolarHBondContact CD-OE1 3.26Å; R55-E59 VanDerWaalsContact CG-CD 3.5Å; R55-E59 HydrophobicContact CG-CG 4.3Å; R55-E59 WeakPolarHBondContact CG-OE1 3.03Å; R55-E59 IonicContact CZ-OE1 3.25Å; R55-E59 IonicContact NH1-OE1 3.68Å; R55-E59 PolarHBondContact NH1-OE1 3.45Å; R55-E59 WeakPolarHBondContact O-CB 3.48Å; R55-E59 VanDerWaalsContact O-CG 3.28Å; R55-E59 WeakPolarHBondContact O-CG 3.38Å; R55-E59 PolarHBondContact O-N 2.94Å
56	R	92.4	Very high	88.7	Confident	139 Å²	139	58.4 Å²	58.4	53%	0.525	29%	0.291	S	S	.	.	H	α-helix	trans	-62.6	-33.1	178	-71.9	172.5	-171.6	155.6	2.5	113.2	E52 F53 A54 S60	E52-R56 WeakPolarHBondContact O-CB 3.28Å; E52-R56 WeakPolarHBondContact O-CD 3.21Å; E52-R56 WeakPolarHBondContact O-CG 3.41Å; E52-R56 PolarHBondContact O-N 3.41Å; E52-R56 VanDerWaalsContact O-N 3.14Å; F53-R56 PolarHBondContact O-N 2.81Å; A54-R56 PolarHBondContact O-N 3.41Å; R56-S60 WeakPolarHBondContact O-CB 3.34Å; R56-S60 PolarHBondContact O-N 3.3Å
57	A	93	Very high	88.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-66.5	-45.5	175.2	0	0	0	0	0	111.4	F53 A54 R55 L61 I102 Y113 I116	F53-A57 WeakPolarHBondContact O-CB 3.19Å; F53-A57 PolarHBondContact O-N 2.86Å; A54-A57 WeakPolarHBondContact O-CB 3.38Å; A54-A57 PolarHBondContact O-N 3.42Å; R55-A57 VanDerWaalsContact C-N 3.29Å; R55-A57 PolarHBondContact O-N 2.93Å; A57-L61 WeakPolarHBondContact O-CB 3.41Å; A57-L61 PolarHBondContact O-N 2.79Å; A57-I102 HydrophobicContact CB-CD1 3.77Å; A57-I102 HydrophobicContact CB-CG2 4Å; A57-Y113 HydrophobicContact CB-CE1 4.42Å; A57-Y113 PolarHBondContact O-OH 3.08Å; A57-I116 HydrophobicContact CB-CD1 3.79Å
58	I	93.4	Very high	89.5	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-68.8	-43.6	177.9	-65.1	174.4	0	0	0	110.8	V38 L41 M42 A54 R55 S60 L61 V62 I116 W117	V38-I58 HydrophobicContact CB-CG2 4.42Å; V38-I58 HydrophobicContact CG1-CG2 4.3Å; V38-I58 HydrophobicContact CG2-CG2 4.22Å; L41-I58 HydrophobicContact CB-CD1 4.34Å; L41-I58 HydrophobicContact CB-CG2 3.81Å; L41-I58 HydrophobicContact CD1-CG2 3.96Å; M42-I58 HydrophobicContact CG-CD1 4.04Å; M42-I58 HydrophobicContact SD-CD1 3.76Å; A54-I58 WeakPolarHBondContact O-CG1 3.45Å; A54-I58 PolarHBondContact O-N 3.46Å; R55-I58 PolarHBondContact O-N 3.45Å; I58-S60 PolarHBondContact O-N 3.41Å; I58-L61 WeakPolarHBondContact O-CB 3.39Å; I58-L61 PolarHBondContact O-N 2.86Å; I58-L61 VanDerWaalsContact O-N 3.08Å; I58-V62 HydrophobicContact CG2-CG2 4.23Å; I58-V62 WeakPolarHBondContact O-CG2 3.33Å; I58-V62 PolarHBondContact O-N 3.1Å; I58-I116 HydrophobicContact CD1-CG2 4.01Å; I58-I116 HydrophobicContact CG1-CG2 4.46Å; I58-W117 HydrophobicContact CD1-CZ2 3.72Å; I58-W117 HydrophobicContact CG1-CH2 4.2Å; I58-W117 HydrophobicContact CG1-CZ2 3.68Å
59	E	92	Very high	90.1	Very high	73 Å²	73	63.9 Å²	63.9	34%	0.341	29%	0.29	S	S	.	.	H	α-helix	trans	-58.7	-45.2	174.7	-73.1	166.6	178.5	0	0	111.7	V38 R55 L61 K63	V38-E59 HydrophobicContact CB-CG 4.42Å; V38-E59 HydrophobicContact CG1-CG 3.7Å; V38-E59 HydrophobicContact CG2-CB 4.48Å; V38-E59 HydrophobicContact CG2-CG 3.84Å; R55-E59 WeakPolarHBondContact CD-OE1 3.26Å; R55-E59 VanDerWaalsContact CG-CD 3.5Å; R55-E59 HydrophobicContact CG-CG 4.3Å; R55-E59 WeakPolarHBondContact CG-OE1 3.03Å; R55-E59 IonicContact CZ-OE1 3.25Å; R55-E59 IonicContact NH1-OE1 3.68Å; R55-E59 PolarHBondContact NH1-OE1 3.45Å; R55-E59 WeakPolarHBondContact O-CB 3.48Å; R55-E59 VanDerWaalsContact O-CG 3.28Å; R55-E59 WeakPolarHBondContact O-CG 3.38Å; R55-E59 PolarHBondContact O-N 2.94Å; E59-L61 VanDerWaalsContact C-N 3.28Å; E59-L61 PolarHBondContact O-N 2.9Å; E59-K63 VanDerWaalsContact O-CB 3.3Å; E59-K63 WeakPolarHBondContact O-CB 3.45Å; E59-K63 PolarHBondContact O-N 3.22Å
60	S	91	Very high	90.4	Very high	37 Å²	37	69.3 Å²	69.3	26%	0.259	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-36.3	174.1	-174.6	0	0	0	0	112.2	R56 I58 K64	R56-S60 WeakPolarHBondContact O-CB 3.34Å; R56-S60 PolarHBondContact O-N 3.3Å; I58-S60 PolarHBondContact O-N 3.41Å; S60-K64 WeakPolarHBondContact O-CG 3.33Å; S60-K64 PolarHBondContact O-N 3.49Å
61	L	92.6	Very high	90.7	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-70.8	-53.1	178	-177.4	56.6	0	0	0	112.8	A57 I58 E59 K63 K64 L65 L75 I92 Y113 W117 I146	A57-L61 WeakPolarHBondContact O-CB 3.41Å; A57-L61 PolarHBondContact O-N 2.79Å; I58-L61 WeakPolarHBondContact O-CB 3.39Å; I58-L61 PolarHBondContact O-N 2.86Å; I58-L61 VanDerWaalsContact O-N 3.08Å; E59-L61 VanDerWaalsContact C-N 3.28Å; E59-L61 PolarHBondContact O-N 2.9Å; L61-K63 PolarHBondContact O-N 3.27Å; L61-K64 CarbonylContact O-C 3.55Å; L61-K64 WeakPolarHBondContact O-CA 3.36Å; L61-K64 WeakPolarHBondContact O-CB 3.44Å; L61-K64 PolarHBondContact O-N 3.1Å; L61-L65 HydrophobicContact CD1-CD1 3.87Å; L61-L65 HydrophobicContact CD1-CG 4.01Å; L61-L65 HydrophobicContact CG-CD1 4Å; L61-L65 HydrophobicContact CG-CG 4.43Å; L61-L65 PolarHBondContact O-N 3.02Å; L61-L75 HydrophobicContact CD2-CD2 3.54Å; L61-L75 HydrophobicContact CG-CD2 4.24Å; L61-I92 HydrophobicContact CD1-CG2 3.97Å; L61-Y113 HydrophobicContact CB-CE1 4.08Å; L61-Y113 WeakPolarHBondContact CB-OH 3.45Å; L61-Y113 HydrophobicContact CD1-CE2 4.19Å; L61-Y113 HydrophobicContact CD2-CD1 4.08Å; L61-Y113 HydrophobicContact CD2-CE1 3.77Å; L61-Y113 HydrophobicContact CD2-CE2 4.21Å; L61-Y113 HydrophobicContact CD2-CG 4.49Å; L61-Y113 HydrophobicContact CG-CE1 4.42Å; L61-W117 HydrophobicContact CD2-CH2 3.91Å; L61-W117 HydrophobicContact CD2-CZ3 4.33Å; L61-I146 HydrophobicContact CD1-CD1 3.34Å; L61-I146 HydrophobicContact CD2-CD1 3.45Å; L61-I146 VanDerWaalsContact CD2-CD1 3.45Å; L61-I146 HydrophobicContact CG-CD1 3.98Å
62	V	93	Very high	90.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.1	-38.6	-179.1	177.9	0	0	0	0	109.6	V34 I37 V38 L41 I58 K64 L65 K66 L72	V34-V62 HydrophobicContact CB-CG1 4.46Å; V34-V62 HydrophobicContact CG1-CG1 3.9Å; V34-V62 HydrophobicContact CG2-CG1 4.46Å; I37-V62 HydrophobicContact CB-CG1 4.49Å; I37-V62 HydrophobicContact CG2-CG1 4.21Å; I37-V62 HydrophobicContact CG2-CG2 3.95Å; V38-V62 HydrophobicContact CG2-CB 4.23Å; V38-V62 HydrophobicContact CG2-CG2 4.01Å; L41-V62 HydrophobicContact CD1-CG2 3.96Å; I58-V62 HydrophobicContact CG2-CG2 4.23Å; I58-V62 WeakPolarHBondContact O-CG2 3.33Å; I58-V62 PolarHBondContact O-N 3.1Å; V62-K64 VanDerWaalsContact C-N 3.33Å; V62-K64 PolarHBondContact O-N 3.27Å; V62-L65 CarbonylContact O-C 3.46Å; V62-L65 PolarHBondContact O-N 2.8Å; V62-K66 PolarHBondContact O-N 2.81Å; V62-L72 HydrophobicContact CG1-CD1 4.21Å; V62-L72 HydrophobicContact CG1-CD2 4.15Å; V62-L72 HydrophobicContact CG2-CD1 4.2Å
63	K	90.2	Very high	91	Very high	171 Å²	171	61.5 Å²	61.5	74%	0.743	27%	0.273	S	S	*	.	H	α-helix	trans	-61	-36.1	172.9	-170.8	173	-177.9	176.8	0	113.5	E59 L61	E59-K63 VanDerWaalsContact O-CB 3.3Å; E59-K63 WeakPolarHBondContact O-CB 3.45Å; E59-K63 PolarHBondContact O-N 3.22Å; L61-K63 PolarHBondContact O-N 3.27Å
64	K	89.3	Confident	91	Very high	102 Å²	102	61.9 Å²	61.9	44%	0.443	28%	0.277	S	S	.	.	H	α-helix	trans	-79.6	-14.3	176.1	-74.1	179.6	-179.1	-167.4	0	114.6	S60 L61 V62 M100	S60-K64 WeakPolarHBondContact O-CG 3.33Å; S60-K64 PolarHBondContact O-N 3.49Å; L61-K64 CarbonylContact O-C 3.55Å; L61-K64 WeakPolarHBondContact O-CA 3.36Å; L61-K64 WeakPolarHBondContact O-CB 3.44Å; L61-K64 PolarHBondContact O-N 3.1Å; V62-K64 VanDerWaalsContact C-N 3.33Å; V62-K64 PolarHBondContact O-N 3.27Å; K64-M100 HydrophobicContact CD-SD 4.4Å; K64-M100 PolarHBondContact NZ-SD 3.07Å
65	L	90.8	Very high	91	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-105.7	-5.8	177.5	-63.6	-178.1	0	0	0	113.1	L61 V62 E67 R68 D71 L72 L75 V90	L61-L65 HydrophobicContact CD1-CD1 3.87Å; L61-L65 HydrophobicContact CD1-CG 4.01Å; L61-L65 HydrophobicContact CG-CD1 4Å; L61-L65 HydrophobicContact CG-CG 4.43Å; L61-L65 PolarHBondContact O-N 3.02Å; V62-L65 CarbonylContact O-C 3.46Å; V62-L65 PolarHBondContact O-N 2.8Å; L65-E67 VanDerWaalsContact C-N 3.27Å; L65-E67 PolarHBondContact O-N 3.24Å; L65-R68 CarbonylContact O-C 3.59Å; L65-R68 WeakPolarHBondContact O-CA 3.18Å; L65-R68 PolarHBondContact O-N 3.43Å; L65-D71 HydrophobicContact CD2-CB 4.27Å; L65-L72 HydrophobicContact CB-CB 4.14Å; L65-L72 HydrophobicContact CB-CD1 4.19Å; L65-L72 HydrophobicContact CD1-CD1 4.33Å; L65-L75 HydrophobicContact CD1-CD2 3.78Å; L65-V90 HydrophobicContact CD1-CG1 3.66Å; L65-V90 HydrophobicContact CD2-CG1 4.38Å
66	K	86.4	Confident	91	Very high	73 Å²	73	58.3 Å²	58.3	32%	0.317	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-37.6	-179.3	-172	176.7	179.5	178.4	0	113.2	C28 G29 V34 V62 R68	C28-K66 WeakPolarHBondContact O-CE 3.26Å; C28-K66 PolarHBondContact O-NZ 3.02Å; G29-K66 PolarHBondContact O-NZ 2.96Å; V34-K66 HydrophobicContact CG2-CD 4.3Å; V62-K66 PolarHBondContact O-N 2.81Å; K66-R68 PolarHBondContact O-N 3.37Å
67	E	87.3	Confident	91	Very high	195 Å²	195	54.6 Å²	54.6	91%	0.911	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-14.9	176.2	-66.1	173.1	-176.9	0	0	113.2	L65	L65-E67 VanDerWaalsContact C-N 3.27Å; L65-E67 PolarHBondContact O-N 3.24Å
68	R	89.2	Confident	90.9	Very high	82 Å²	82	54.6 Å²	54.6	31%	0.309	26%	0.259	S	S	.	.			trans	-121.6	63	178.7	-68.4	-178.1	-69.9	143.5	-4.6	109.5	L65 K66 E70 D71 L72 T91	L65-R68 CarbonylContact O-C 3.59Å; L65-R68 WeakPolarHBondContact O-CA 3.18Å; L65-R68 PolarHBondContact O-N 3.43Å; K66-R68 PolarHBondContact O-N 3.37Å; R68-E70 PolarHBondContact O-N 2.87Å; R68-E70 VanDerWaalsContact O-N 3.08Å; R68-D71 HydrophobicContact CB-CB 4.15Å; R68-D71 IonicContact CZ-OD2 3.51Å; R68-D71 IonicContact NE-OD2 3.83Å; R68-D71 IonicContact NH1-OD2 3.83Å; R68-D71 PolarHBondContact NH1-OD2 3.05Å; R68-D71 WeakPolarHBondContact O-CB 3.45Å; R68-D71 PolarHBondContact O-N 3.15Å; R68-L72 PolarHBondContact O-N 2.93Å; R68-L72 VanDerWaalsContact O-N 3.16Å; R68-T91 VanDerWaalsContact CZ-O 3.31Å; R68-T91 PolarHBondContact NH1-O 3.47Å; R68-T91 PolarHBondContact NH1-OG1 3.2Å; R68-T91 PolarHBondContact NH2-O 3.1Å
69	Q	87.5	Confident	90.9	Very high	50 Å²	50	54.7 Å²	54.7	23%	0.234	26%	0.259	C	S	.	.	H	α-helix	trans	-44.6	-42.4	177.8	178.8	62.4	15.9	0	0	112.3	D71 L72 E73	Q69-D71 VanDerWaalsContact C-N 3.32Å; Q69-D71 PolarHBondContact O-N 3.08Å; Q69-L72 WeakPolarHBondContact O-CB 3.49Å; Q69-L72 PolarHBondContact O-N 2.81Å; Q69-L72 VanDerWaalsContact O-N 3.09Å; Q69-E73 HydrophobicContact CG-CG 4.5Å; Q69-E73 WeakPolarHBondContact CG-OE1 3.22Å; Q69-E73 PolarHBondContact NE2-OE1 2.68Å; Q69-E73 WeakPolarHBondContact O-CG 3.23Å; Q69-E73 PolarHBondContact O-N 2.91Å
70	E	90.6	Very high	90.8	Very high	136 Å²	136	54 Å²	54	64%	0.636	26%	0.26	S	S	*	.	H	α-helix	trans	-54.7	-38.3	175.3	-112.9	-163.7	-112.5	0	0	114.7	R68 S74 K88	R68-E70 PolarHBondContact O-N 2.87Å; R68-E70 VanDerWaalsContact O-N 3.08Å; E70-S74 PolarHBondContact O-N 3.33Å; E70-S74 PolarHBondContact O-OG 3.19Å; E70-K88 VanDerWaalsContact C-NZ 3.32Å; E70-K88 VanDerWaalsContact CB-NZ 3.26Å; E70-K88 WeakPolarHBondContact O-CE 3.48Å; E70-K88 PolarHBondContact O-NZ 3.39Å; E70-K88 IonicContact OE2-NZ 2.65Å; E70-K88 PolarHBondContact OE2-NZ 3.31Å
71	D	91.8	Very high	90.7	Very high	21 Å²	21	54 Å²	54	11%	0.112	26%	0.259	C	S	.	.	H	α-helix	trans	-79.7	-33.7	176.7	-74.4	-17.7	0	0	0	111.1	L65 R68 Q69 S74 L75 K88 V90	L65-D71 HydrophobicContact CD2-CB 4.27Å; R68-D71 HydrophobicContact CB-CB 4.15Å; R68-D71 IonicContact CZ-OD2 3.51Å; R68-D71 IonicContact NE-OD2 3.83Å; R68-D71 IonicContact NH1-OD2 3.83Å; R68-D71 PolarHBondContact NH1-OD2 3.05Å; R68-D71 WeakPolarHBondContact O-CB 3.45Å; R68-D71 PolarHBondContact O-N 3.15Å; Q69-D71 VanDerWaalsContact C-N 3.32Å; Q69-D71 PolarHBondContact O-N 3.08Å; D71-S74 PolarHBondContact O-N 2.99Å; D71-L75 WeakPolarHBondContact O-CB 3.44Å; D71-L75 PolarHBondContact O-N 3.44Å; D71-K88 VanDerWaalsContact OD1-CE 3.25Å; D71-K88 WeakPolarHBondContact OD1-CE 3.25Å; D71-V90 HydrophobicContact CB-CG1 4.34Å; D71-V90 WeakPolarHBondContact O-CG2 3.43Å
72	L	92.3	Very high	90.4	Very high	5 Å²	5	57.6 Å²	57.6	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-66.6	-44.9	177	-174.5	57.6	0	0	0	111.7	I37 V62 L65 R68 Q69 S74 L75 V76	I37-L72 HydrophobicContact CD1-CD2 3.81Å; I37-L72 HydrophobicContact CD1-CG 4.34Å; I37-L72 HydrophobicContact CG2-CD1 4.14Å; V62-L72 HydrophobicContact CG1-CD1 4.21Å; V62-L72 HydrophobicContact CG1-CD2 4.15Å; V62-L72 HydrophobicContact CG2-CD1 4.2Å; L65-L72 HydrophobicContact CB-CB 4.14Å; L65-L72 HydrophobicContact CB-CD1 4.19Å; L65-L72 HydrophobicContact CD1-CD1 4.33Å; R68-L72 PolarHBondContact O-N 2.93Å; R68-L72 VanDerWaalsContact O-N 3.16Å; Q69-L72 WeakPolarHBondContact O-CB 3.49Å; Q69-L72 PolarHBondContact O-N 2.81Å; Q69-L72 VanDerWaalsContact O-N 3.09Å; L72-S74 VanDerWaalsContact C-N 3.31Å; L72-S74 PolarHBondContact O-N 3Å; L72-L75 WeakPolarHBondContact O-CB 3.47Å; L72-L75 PolarHBondContact O-N 3.47Å; L72-V76 WeakPolarHBondContact O-CG2 3.31Å; L72-V76 PolarHBondContact O-N 3.13Å
73	E	91.4	Very high	90	Very high	99 Å²	99	59 Å²	59	46%	0.463	30%	0.298	S	S	.	.	H	α-helix	trans	-61.8	-39.9	173.9	-72.9	172.2	-173.6	0	0	111.8	Q69 L75 V76 T77	Q69-E73 HydrophobicContact CG-CG 4.5Å; Q69-E73 WeakPolarHBondContact CG-OE1 3.22Å; Q69-E73 PolarHBondContact NE2-OE1 2.68Å; Q69-E73 WeakPolarHBondContact O-CG 3.23Å; Q69-E73 PolarHBondContact O-N 2.91Å; E73-L75 VanDerWaalsContact C-N 3.33Å; E73-L75 PolarHBondContact O-N 3.33Å; E73-V76 PolarHBondContact O-N 3.5Å; E73-T77 WeakPolarHBondContact O-CB 3.26Å; E73-T77 PolarHBondContact O-N 3.32Å; E73-T77 PolarHBondContact O-OG1 3.19Å
74	S	92.6	Very high	89.6	Confident	20 Å²	20	55.4 Å²	55.4	14%	0.14	30%	0.295	C	S	.	.	H	α-helix	trans	-66.2	-35.6	176.2	-61.1	0	0	0	0	112.2	E70 D71 L72 A78 K88	E70-S74 PolarHBondContact O-N 3.33Å; E70-S74 PolarHBondContact O-OG 3.19Å; D71-S74 PolarHBondContact O-N 2.99Å; L72-S74 VanDerWaalsContact C-N 3.31Å; L72-S74 PolarHBondContact O-N 3Å; S74-A78 VanDerWaalsContact O-CB 3.31Å; S74-A78 WeakPolarHBondContact O-CB 3.33Å; S74-A78 PolarHBondContact O-N 2.88Å; S74-K88 WeakPolarHBondContact OG-CE 3.42Å; S74-K88 WeakPolarHBondContact OG-CG 3.29Å
75	L	93.1	Very high	89.2	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-67.4	-47.5	173.8	-176.8	64.7	0	0	0	112	L41 L61 L65 D71 L72 E73 T77 A78 I79 V90 W117	L41-L75 HydrophobicContact CD1-CD2 4.4Å; L61-L75 HydrophobicContact CD2-CD2 3.54Å; L61-L75 HydrophobicContact CG-CD2 4.24Å; L65-L75 HydrophobicContact CD1-CD2 3.78Å; D71-L75 WeakPolarHBondContact O-CB 3.44Å; D71-L75 PolarHBondContact O-N 3.44Å; L72-L75 WeakPolarHBondContact O-CB 3.47Å; L72-L75 PolarHBondContact O-N 3.47Å; E73-L75 VanDerWaalsContact C-N 3.33Å; E73-L75 PolarHBondContact O-N 3.33Å; L75-T77 VanDerWaalsContact C-N 3.34Å; L75-A78 PolarHBondContact O-N 3.14Å; L75-I79 HydrophobicContact CD1-CD1 3.62Å; L75-I79 HydrophobicContact CD1-CG1 4.43Å; L75-I79 HydrophobicContact CG-CD1 3.82Å; L75-I79 WeakPolarHBondContact O-CG1 3.12Å; L75-I79 PolarHBondContact O-N 3.44Å; L75-V90 HydrophobicContact CB-CG1 4.03Å; L75-V90 HydrophobicContact CB-CG2 3.85Å; L75-V90 HydrophobicContact CD1-CB 4.5Å; L75-V90 HydrophobicContact CD1-CG1 4.26Å; L75-V90 HydrophobicContact CD1-CG2 4.32Å; L75-V90 HydrophobicContact CD2-CG1 4.44Å; L75-V90 HydrophobicContact CG-CG1 4.47Å; L75-W117 HydrophobicContact CD1-CZ3 4.44Å
76	V	92.1	Very high	88.8	Confident	22 Å²	22	61.9 Å²	61.9	13%	0.133	34%	0.338	C	S	.	.	H	α-helix	trans	-60.1	-46.7	176.7	171.7	0	0	0	0	109.9	I37 L41 L72 E73 A78 I79 T80	I37-V76 HydrophobicContact CG2-CG2 3.97Å; L41-V76 HydrophobicContact CD2-CG2 4.2Å; L72-V76 WeakPolarHBondContact O-CG2 3.31Å; L72-V76 PolarHBondContact O-N 3.13Å; E73-V76 PolarHBondContact O-N 3.5Å; V76-A78 PolarHBondContact O-N 2.83Å; V76-I79 PolarHBondContact O-N 3.38Å; V76-T80 HydrophobicContact CG1-CG2 3.98Å; V76-T80 VanDerWaalsContact O-CB 3.31Å; V76-T80 WeakPolarHBondContact O-CB 3.44Å; V76-T80 VanDerWaalsContact O-CG2 3.26Å; V76-T80 WeakPolarHBondContact O-CG2 3.31Å; V76-T80 PolarHBondContact O-N 3.21Å; V76-T80 PolarHBondContact O-OG1 2.92Å
77	T	90.9	Very high	88.9	Confident	61 Å²	61	59.4 Å²	59.4	37%	0.374	33%	0.33	S	S	.	.	H	α-helix	trans	-58.6	-47.9	174.9	-55.4	0	0	0	0	111.7	E73 L75 I79 T80 T81 Q85	E73-T77 WeakPolarHBondContact O-CB 3.26Å; E73-T77 PolarHBondContact O-N 3.32Å; E73-T77 PolarHBondContact O-OG1 3.19Å; L75-T77 VanDerWaalsContact C-N 3.34Å; T77-I79 VanDerWaalsContact C-N 3.33Å; T77-I79 PolarHBondContact O-N 3.06Å; T77-T80 PolarHBondContact O-OG1 3.44Å; T77-T81 HydrophobicContact CG2-CG2 4.07Å; T77-T81 VanDerWaalsContact O-CB 3.27Å; T77-T81 WeakPolarHBondContact O-CB 3.23Å; T77-T81 VanDerWaalsContact O-CG2 3.23Å; T77-T81 WeakPolarHBondContact O-CG2 3.27Å; T77-T81 PolarHBondContact O-N 3.48Å; T77-T81 PolarHBondContact O-OG1 2.94Å; T77-Q85 HydrophobicContact CG2-CB 4.31Å
78	A	92.3	Very high	89.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-56.8	-45.4	179.8	0	0	0	0	0	112.5	S74 L75 V76 S82 G83 S87 Y149	S74-A78 VanDerWaalsContact O-CB 3.31Å; S74-A78 WeakPolarHBondContact O-CB 3.33Å; S74-A78 PolarHBondContact O-N 2.88Å; L75-A78 PolarHBondContact O-N 3.14Å; V76-A78 PolarHBondContact O-N 2.83Å; A78-S82 PolarHBondContact O-N 2.85Å; A78-G83 PolarHBondContact O-N 3.38Å; A78-S87 VanDerWaalsContact CB-OG 3.29Å; A78-S87 WeakPolarHBondContact CB-OG 3.39Å; A78-Y149 HydrophobicContact CB-CD2 4.18Å; A78-Y149 WeakPolarHBondContact O-CE2 3.41Å
79	I	92.8	Very high	89.3	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-77.9	-47.9	-175	-67.9	163.6	0	0	0	111.3	L41 H44 L75 V76 T77 T81 S82 W117	L41-I79 HydrophobicContact CD2-CB 4.17Å; L41-I79 HydrophobicContact CD2-CD1 3.66Å; L41-I79 HydrophobicContact CD2-CG2 4.11Å; H44-I79 HydrophobicContact CB-CG2 3.43Å; H44-I79 VanDerWaalsContact CB-CG2 3.43Å; L75-I79 HydrophobicContact CD1-CD1 3.62Å; L75-I79 HydrophobicContact CD1-CG1 4.43Å; L75-I79 HydrophobicContact CG-CD1 3.82Å; L75-I79 WeakPolarHBondContact O-CG1 3.12Å; L75-I79 PolarHBondContact O-N 3.44Å; V76-I79 PolarHBondContact O-N 3.38Å; T77-I79 VanDerWaalsContact C-N 3.33Å; T77-I79 PolarHBondContact O-N 3.06Å; I79-T81 VanDerWaalsContact C-N 3.33Å; I79-T81 PolarHBondContact O-N 3.35Å; I79-S82 PolarHBondContact O-N 2.87Å; I79-S82 VanDerWaalsContact O-N 3.1Å; I79-W117 HydrophobicContact CD1-CD2 3.51Å; I79-W117 VanDerWaalsContact CD1-CE2 3.5Å; I79-W117 HydrophobicContact CD1-CE3 3.65Å; I79-W117 HydrophobicContact CD1-CG 4.12Å; I79-W117 HydrophobicContact CD1-CH2 3.82Å; I79-W117 HydrophobicContact CD1-CZ2 3.68Å; I79-W117 HydrophobicContact CD1-CZ3 3.79Å; I79-W117 HydrophobicContact CG1-CD2 4.1Å; I79-W117 HydrophobicContact CG1-CE3 4.37Å; I79-W117 HydrophobicContact CG1-CG 4.23Å; I79-W117 HydrophobicContact CG2-CG 4.29Å
80	T	90.1	Very high	89.6	Confident	58 Å²	58	48.5 Å²	48.5	36%	0.356	28%	0.283	S	S	.	.	H	α-helix	trans	-63.3	-37.2	179.2	54.4	0	0	0	0	112.6	V76 T77 S82	V76-T80 HydrophobicContact CG1-CG2 3.98Å; V76-T80 VanDerWaalsContact O-CB 3.31Å; V76-T80 WeakPolarHBondContact O-CB 3.44Å; V76-T80 VanDerWaalsContact O-CG2 3.26Å; V76-T80 WeakPolarHBondContact O-CG2 3.31Å; V76-T80 PolarHBondContact O-N 3.21Å; V76-T80 PolarHBondContact O-OG1 2.92Å; T77-T80 PolarHBondContact O-OG1 3.44Å; T80-S82 VanDerWaalsContact C-N 3.28Å; T80-S82 PolarHBondContact O-N 2.66Å
81	T	88.9	Confident	89.7	Confident	37 Å²	37	42.6 Å²	42.6	23%	0.227	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	1.8	177	69.3	0	0	0	0	113.5	T77 I79 G83 S84 Q85	T77-T81 HydrophobicContact CG2-CG2 4.07Å; T77-T81 VanDerWaalsContact O-CB 3.27Å; T77-T81 WeakPolarHBondContact O-CB 3.23Å; T77-T81 VanDerWaalsContact O-CG2 3.23Å; T77-T81 WeakPolarHBondContact O-CG2 3.27Å; T77-T81 PolarHBondContact O-N 3.48Å; T77-T81 PolarHBondContact O-OG1 2.94Å; I79-T81 VanDerWaalsContact C-N 3.33Å; I79-T81 PolarHBondContact O-N 3.35Å; T81-G83 PolarHBondContact O-N 3Å; T81-G83 VanDerWaalsContact O-N 3.17Å; T81-S84 WeakPolarHBondContact CB-OG 3.41Å; T81-S84 WeakPolarHBondContact O-CB 3.46Å; T81-S84 PolarHBondContact O-N 3.49Å; T81-S84 PolarHBondContact O-OG 3.28Å; T81-Q85 HydrophobicContact CG2-CB 4.25Å; T81-Q85 HydrophobicContact CG2-CG 3.97Å
82	S	86.2	Confident	89.7	Confident	77 Å²	77	42 Å²	42	54%	0.538	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	35.3	-173.9	-60.8	0	0	0	0	114.3	A78 I79 T80 S84 Y149	A78-S82 PolarHBondContact O-N 2.85Å; I79-S82 PolarHBondContact O-N 2.87Å; I79-S82 VanDerWaalsContact O-N 3.1Å; T80-S82 VanDerWaalsContact C-N 3.28Å; T80-S82 PolarHBondContact O-N 2.66Å; S82-S84 VanDerWaalsContact C-N 3.3Å; S82-S84 PolarHBondContact O-N 2.63Å; S82-Y149 WeakPolarHBondContact CA-OH 3.45Å; S82-Y149 WeakPolarHBondContact O-CE1 3.36Å
83	G	83.2	Confident	89.7	Confident	29 Å²	29	48 Å²	48	30%	0.299	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	8.4	-177.7	0	0	0	0	0	115.8	A78 T81 Q85	A78-G83 PolarHBondContact O-N 3.38Å; T81-G83 PolarHBondContact O-N 3Å; T81-G83 VanDerWaalsContact O-N 3.17Å; G83-Q85 VanDerWaalsContact C-N 3.28Å; G83-Q85 PolarHBondContact O-N 3.38Å
84	S	83.7	Confident	89.6	Confident	95 Å²	95	46 Å²	46	66%	0.664	27%	0.269	S	S	*	.	S	Bend	trans	-69.1	-26.3	175.4	60.2	0	0	0	0	113.2	T81 S82	T81-S84 WeakPolarHBondContact CB-OG 3.41Å; T81-S84 WeakPolarHBondContact O-CB 3.46Å; T81-S84 PolarHBondContact O-N 3.49Å; T81-S84 PolarHBondContact O-OG 3.28Å; S82-S84 VanDerWaalsContact C-N 3.3Å; S82-S84 PolarHBondContact O-N 2.63Å
85	Q	79.9	Confident	89.4	Confident	113 Å²	113	48 Å²	48	53%	0.528	28%	0.28	S	S	.	.	S	Bend	trans	-98.3	129.6	168.8	-68.2	-67	-8.3	0	0	110.6	T77 T81 G83 S87	T77-Q85 HydrophobicContact CG2-CB 4.31Å; T81-Q85 HydrophobicContact CG2-CB 4.25Å; T81-Q85 HydrophobicContact CG2-CG 3.97Å; G83-Q85 VanDerWaalsContact C-N 3.28Å; G83-Q85 PolarHBondContact O-N 3.38Å; Q85-S87 PolarHBondContact O-N 3.16Å
86	P	82.9	Confident	88.8	Confident	126 Å²	126	57.3 Å²	57.3	82%	0.818	33%	0.329	S	S	*	.			trans	-66.2	118.1	175.1	27.9	-33.1	0	0	0	109.9
87	S	87.6	Confident	88.3	Confident	21 Å²	21	59.6 Å²	59.6	15%	0.147	34%	0.34	C	S	.	.			trans	-106.8	153.6	-178.9	37.5	0	0	0	0	110.8	A78 Q85 N147 H150	A78-S87 VanDerWaalsContact CB-OG 3.29Å; A78-S87 WeakPolarHBondContact CB-OG 3.39Å; Q85-S87 PolarHBondContact O-N 3.16Å; S87-N147 PolarHBondContact OG-ND2 3.34Å; S87-H150 PolarHBondContact O-CE1 2.68Å; S87-H150 PolarHBondContact O-NE2 3.33Å
88	K	91.8	Very high	88	Confident	78 Å²	78	57.1 Å²	57.1	34%	0.339	33%	0.327	S	S	.	.			trans	-72.6	168.4	175.9	80.1	-164.8	-179.3	-157.1	0	112	E70 D71 S74 V90 N147 H150	E70-K88 VanDerWaalsContact C-NZ 3.32Å; E70-K88 VanDerWaalsContact CB-NZ 3.26Å; E70-K88 WeakPolarHBondContact O-CE 3.48Å; E70-K88 PolarHBondContact O-NZ 3.39Å; E70-K88 IonicContact OE2-NZ 2.65Å; E70-K88 PolarHBondContact OE2-NZ 3.31Å; D71-K88 VanDerWaalsContact OD1-CE 3.25Å; D71-K88 WeakPolarHBondContact OD1-CE 3.25Å; S74-K88 WeakPolarHBondContact OG-CE 3.42Å; S74-K88 WeakPolarHBondContact OG-CG 3.29Å; K88-V90 PolarHBondContact O-N 3.1Å; K88-V90 VanDerWaalsContact O-N 3.13Å; K88-N147 PolarHBondContact O-ND2 3.11Å; K88-H150 VanDerWaalsContact C-CE1 3.42Å; K88-H150 PolarHBondContact O-CE1 3.27Å; K88-H150 VanDerWaalsContact O-CE1 3.32Å
89	C	93.3	Very high	87.7	Confident	19 Å²	19	61.6 Å²	61.6	13%	0.128	34%	0.344	C	S	.	.			trans	-68.7	109	179.3	-70.5	0	0	0	0	109.8	T91 L134 F135	C89-T91 HydrophobicContact CB-CG2 4.19Å; C89-T91 PolarHBondContact O-N 3.4Å; C89-L134 PolarHBondContact SG-N 3.5Å; C89-F135 HydrophobicContact CB-CD2 3.66Å; C89-F135 HydrophobicContact CB-CE2 4.36Å
90	V	93.9	Very high	87.4	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.346	C	S	.	.			trans	-80.6	115.6	171.4	-176.4	0	0	0	0	107.6	L65 D71 L75 K88 C145 I146 N147	L65-V90 HydrophobicContact CD1-CG1 3.66Å; L65-V90 HydrophobicContact CD2-CG1 4.38Å; D71-V90 HydrophobicContact CB-CG1 4.34Å; D71-V90 WeakPolarHBondContact O-CG2 3.43Å; L75-V90 HydrophobicContact CB-CG1 4.03Å; L75-V90 HydrophobicContact CB-CG2 3.85Å; L75-V90 HydrophobicContact CD1-CB 4.5Å; L75-V90 HydrophobicContact CD1-CG1 4.26Å; L75-V90 HydrophobicContact CD1-CG2 4.32Å; L75-V90 HydrophobicContact CD2-CG1 4.44Å; L75-V90 HydrophobicContact CG-CG1 4.47Å; K88-V90 PolarHBondContact O-N 3.1Å; K88-V90 VanDerWaalsContact O-N 3.13Å; V90-C145 CarbonylContact O-C 3.58Å; V90-C145 VanDerWaalsContact O-CA 3.3Å; V90-C145 WeakPolarHBondContact O-CA 3.29Å; V90-I146 HydrophobicContact CB-CG1 4.08Å; V90-I146 HydrophobicContact CG1-CD1 3.85Å; V90-I146 HydrophobicContact CG1-CG1 3.8Å; V90-I146 WeakPolarHBondContact O-CG1 3.35Å; V90-I146 PolarHBondContact O-N 2.92Å; V90-N147 HydrophobicContact CB-CB 4.37Å; V90-N147 HydrophobicContact CG2-CB 4.34Å
91	T	93.5	Very high	87.4	Confident	13 Å²	13	65.2 Å²	65.2	8%	0.08	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	154.6	-170.3	62.6	0	0	0	0	114.1	R68 C89 F135 C143 V144	R68-T91 VanDerWaalsContact CZ-O 3.31Å; R68-T91 PolarHBondContact NH1-O 3.47Å; R68-T91 PolarHBondContact NH1-OG1 3.2Å; R68-T91 PolarHBondContact NH2-O 3.1Å; C89-T91 HydrophobicContact CB-CG2 4.19Å; C89-T91 PolarHBondContact O-N 3.4Å; T91-F135 HydrophobicContact CG2-CB 3.71Å; T91-F135 HydrophobicContact CG2-CD1 4.13Å; T91-F135 HydrophobicContact CG2-CD2 3.7Å; T91-F135 HydrophobicContact CG2-CE2 4.34Å; T91-F135 HydrophobicContact CG2-CG 3.58Å; T91-C143 HydrophobicContact CG2-CB 4.37Å; T91-V144 CarbonylContact C-O 3.57Å; T91-V144 VanDerWaalsContact CA-O 3.26Å; T91-V144 WeakPolarHBondContact CA-O 3.38Å
92	I	92.2	Very high	87.3	Confident	7 Å²	7	63.7 Å²	63.7	4%	0.036	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	154.3	165.7	67.6	171.5	0	0	0	110.6	L61 R94 M100 P109 C143 V144 I146	L61-I92 HydrophobicContact CD1-CG2 3.97Å; I92-R94 PolarHBondContact O-N 3.07Å; I92-M100 HydrophobicContact CD1-CE 3.82Å; I92-M100 HydrophobicContact CD1-SD 3.83Å; I92-P109 HydrophobicContact CD1-CB 3.53Å; I92-P109 HydrophobicContact CD1-CG 4.15Å; I92-P109 HydrophobicContact CG1-CB 4.42Å; I92-C143 CarbonylContact O-C 3.59Å; I92-C143 WeakPolarHBondContact O-CA 3.16Å; I92-V144 PolarHBondContact N-O 2.87Å; I92-V144 PolarHBondContact O-N 3.36Å; I92-I146 HydrophobicContact CD1-CG2 4.05Å; I92-I146 HydrophobicContact CG1-CG2 3.95Å; I92-I146 HydrophobicContact CG2-CD1 4.34Å; I92-I146 HydrophobicContact CG2-CG2 4.33Å
93	Q	90.8	Very high	87.2	Confident	132 Å²	132	62.7 Å²	62.7	62%	0.617	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60	133.5	175.3	-163.6	66.9	20	0	0	111.3	D142	Q93-D142 PolarHBondContact NE2-O 3.46Å
94	R	88.9	Confident	87.2	Confident	56 Å²	56	64 Å²	64	21%	0.211	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-72.6	129.1	173	-173	177.6	-66.4	-99.3	5	109.8	I92 F137 Q141 D142 V144	I92-R94 PolarHBondContact O-N 3.07Å; R94-F137 PolarHBondContact NH2-O 3.32Å; R94-Q141 PolarHBondContact NE-O 2.81Å; R94-D142 VanDerWaalsContact CB-O 3.25Å; R94-D142 WeakPolarHBondContact CB-O 3.43Å; R94-D142 PolarHBondContact N-O 3.11Å; R94-V144 HydrophobicContact CB-CG2 3.95Å; R94-V144 HydrophobicContact CG-CG2 4.18Å
95	T	88.5	Confident	87.4	Confident	63 Å²	63	64.8 Å²	64.8	39%	0.387	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-78.2	157.9	168	51.7	0	0	0	0	110.8	D97 G98 R99	T95-D97 PolarHBondContact O-N 3.44Å; T95-D97 VanDerWaalsContact O-N 3.08Å; T95-D97 PolarHBondContact OG1-OD1 3.47Å; T95-G98 PolarHBondContact O-N 3.26Å; T95-G98 PolarHBondContact OG1-N 3.44Å; T95-R99 PolarHBondContact OG1-N 3.31Å; T95-R99 VanDerWaalsContact OG1-N 3.09Å; T95-R99 PolarHBondContact OG1-O 2.92Å
96	L	81.6	Confident	87.8	Confident	195 Å²	195	65.5 Å²	65.5	100%	1.021	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.4	-179.9	-64.5	175.1	0	0	0	114.1
97	D	81.6	Confident	88.1	Confident	70 Å²	70	60.4 Å²	60.4	37%	0.374	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	5.4	176.7	80.3	-21.5	0	0	0	114	T95 R99	T95-D97 PolarHBondContact O-N 3.44Å; T95-D97 VanDerWaalsContact O-N 3.08Å; T95-D97 PolarHBondContact OG1-OD1 3.47Å; D97-R99 PolarHBondContact O-N 3.04Å; D97-R99 VanDerWaalsContact O-N 3.12Å; D97-R99 PolarHBondContact OD1-N 3.01Å; D97-R99 VanDerWaalsContact OD1-O 3.13Å; D97-R99 IonicContact OD2-CZ 3.06Å; D97-R99 IonicContact OD2-NE 2.68Å; D97-R99 PolarHBondContact OD2-NE 3.42Å; D97-R99 IonicContact OD2-NH2 3.03Å; D97-R99 PolarHBondContact OD2-NH2 3.39Å
98	G	83.4	Confident	88.3	Confident	9 Å²	9	60.6 Å²	60.6	9%	0.093	31%	0.314	C	S	.	.	S	Bend	trans	66.5	2.8	-177.1	0	0	0	0	0	115.5	T95 P109	T95-G98 PolarHBondContact O-N 3.26Å; T95-G98 PolarHBondContact OG1-N 3.44Å; G98-P109 WeakPolarHBondContact O-CD 3.2Å
99	R	86.3	Confident	88.3	Confident	95 Å²	95	57.2 Å²	57.2	36%	0.358	30%	0.299	S	S	.	.			trans	-109.7	140.5	-179.1	-63.1	176.1	-63.3	-157.1	-7.3	110.9	T95 D97 K106 C107 L108	T95-R99 PolarHBondContact OG1-N 3.31Å; T95-R99 VanDerWaalsContact OG1-N 3.09Å; T95-R99 PolarHBondContact OG1-O 2.92Å; D97-R99 PolarHBondContact O-N 3.04Å; D97-R99 VanDerWaalsContact O-N 3.12Å; D97-R99 PolarHBondContact OD1-N 3.01Å; D97-R99 VanDerWaalsContact OD1-O 3.13Å; D97-R99 IonicContact OD2-CZ 3.06Å; D97-R99 IonicContact OD2-NE 2.68Å; D97-R99 PolarHBondContact OD2-NE 3.42Å; D97-R99 IonicContact OD2-NH2 3.03Å; D97-R99 PolarHBondContact OD2-NH2 3.39Å; R99-K106 HydrophobicContact CB-CB 4.49Å; R99-C107 CarbonylContact C-O 3.07Å; R99-C107 WeakPolarHBondContact CA-O 3.1Å; R99-L108 HydrophobicContact CG-CD2 3.84Å; R99-L108 HydrophobicContact CG-CG 4.48Å
100	M	86.4	Confident	88.3	Confident	9 Å²	9	56.7 Å²	56.7	4%	0.044	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	141.6	171	-175	157	61.3	0	0	109.7	K64 I92 I102 C107 P109 Y113	K64-M100 HydrophobicContact CD-SD 4.4Å; K64-M100 PolarHBondContact NZ-SD 3.07Å; I92-M100 HydrophobicContact CD1-CE 3.82Å; I92-M100 HydrophobicContact CD1-SD 3.83Å; M100-I102 HydrophobicContact CE-CD1 4Å; M100-I102 HydrophobicContact CE-CG1 4.38Å; M100-I102 HydrophobicContact CG-CG1 4.22Å; M100-C107 PolarHBondContact N-O 2.92Å; M100-C107 PolarHBondContact O-N 2.77Å; M100-C107 PolarHBondContact O-SG 3.11Å; M100-C107 VanDerWaalsContact O-SG 3.36Å; M100-P109 HydrophobicContact CE-CB 4.23Å; M100-Y113 HydrophobicContact CE-CE2 3.64Å; M100-Y113 WeakPolarHBondContact CE-OH 3.39Å
101	Q	89.8	Confident	88.2	Confident	126 Å²	126	57.2 Å²	57.2	59%	0.589	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	127.8	171.4	-167.3	172	2.4	0	0	109.8	R105	Q101-R105 WeakPolarHBondContact CA-O 3.08Å
102	I	88.1	Confident	88.2	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.026	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	123.5	175.8	-52.5	178.2	0	0	0	106.8	F53 A57 M100 G104 R105 I112	F53-I102 HydrophobicContact CE2-CB 4.13Å; F53-I102 HydrophobicContact CE2-CG2 4.06Å; F53-I102 WeakPolarHBondContact CE2-O 3.46Å; F53-I102 HydrophobicContact CZ-CB 3.96Å; F53-I102 HydrophobicContact CZ-CG2 4.07Å; A57-I102 HydrophobicContact CB-CD1 3.77Å; A57-I102 HydrophobicContact CB-CG2 4Å; M100-I102 HydrophobicContact CE-CD1 4Å; M100-I102 HydrophobicContact CE-CG1 4.38Å; M100-I102 HydrophobicContact CG-CG1 4.22Å; I102-G104 PolarHBondContact O-N 3.07Å; I102-G104 VanDerWaalsContact O-N 3.07Å; I102-R105 PolarHBondContact N-O 3.2Å; I102-R105 PolarHBondContact O-N 2.78Å; I102-I112 HydrophobicContact CD1-CG2 4.38Å
103	A	84.1	Confident	88.2	Confident	55 Å²	55	56.5 Å²	56.5	46%	0.455	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.1	43	177.6	0	0	0	0	0	114.1	F53 R105	F53-A103 HydrophobicContact CD2-CB 4.27Å; F53-A103 HydrophobicContact CE2-CB 4.35Å; A103-R105 VanDerWaalsContact C-N 3.3Å; A103-R105 PolarHBondContact O-N 2.83Å
104	G	83.5	Confident	88.3	Confident	57 Å²	57	50.2 Å²	50.2	59%	0.588	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	-27.1	-177.7	0	0	0	0	0	115.7	I102	I102-G104 PolarHBondContact O-N 3.07Å; I102-G104 VanDerWaalsContact O-N 3.07Å
105	R	86.9	Confident	88.5	Confident	111 Å²	111	50.1 Å²	50.1	42%	0.419	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	134.8	179.2	-66.5	167.6	70.1	-153.8	7.9	110.8	E49 F53 Q101 I102 A103	E49-R105 IonicContact OE1-NH2 2.79Å; E49-R105 IonicContact OE2-CZ 2.86Å; E49-R105 VanDerWaalsContact OE2-CZ 3.29Å; E49-R105 IonicContact OE2-NH1 3.18Å; E49-R105 PolarHBondContact OE2-NH1 3.3Å; E49-R105 IonicContact OE2-NH2 2.68Å; E49-R105 PolarHBondContact OE2-NH2 2.91Å; F53-R105 VanDerWaalsContact CD1-NH1 3.27Å; F53-R105 VanDerWaalsContact CD2-NH1 3.3Å; F53-R105 HydrophobicContact CE2-CB 3.94Å; F53-R105 HydrophobicContact CE2-CG 4.22Å; F53-R105 HydrophobicContact CZ-CB 4.33Å; Q101-R105 WeakPolarHBondContact CA-O 3.08Å; I102-R105 PolarHBondContact N-O 3.2Å; I102-R105 PolarHBondContact O-N 2.78Å; A103-R105 VanDerWaalsContact C-N 3.3Å; A103-R105 PolarHBondContact O-N 2.83Å
106	K	89	Confident	88.7	Confident	129 Å²	129	47.2 Å²	47.2	56%	0.561	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91	117.9	170.4	-67.4	-171.6	178.9	-171	0	109.6	R99	R99-K106 HydrophobicContact CB-CB 4.49Å
107	C	89.3	Confident	89.3	Confident	19 Å²	19	38.2 Å²	38.2	13%	0.128	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	153.2	-178.2	54.1	0	0	0	0	111.9	R99 M100 I112	R99-C107 CarbonylContact C-O 3.07Å; R99-C107 WeakPolarHBondContact CA-O 3.1Å; M100-C107 PolarHBondContact N-O 2.92Å; M100-C107 PolarHBondContact O-N 2.77Å; M100-C107 PolarHBondContact O-SG 3.11Å; M100-C107 VanDerWaalsContact O-SG 3.36Å; C107-I112 HydrophobicContact CB-CB 4.12Å; C107-I112 HydrophobicContact CB-CG1 4.42Å; C107-I112 HydrophobicContact CB-CG2 4.39Å
108	L	91.5	Very high	89.7	Confident	25 Å²	25	38.2 Å²	38.2	13%	0.131	19%	0.193	C	C	.	.			trans	-77.4	129.9	169.5	-70.4	173.9	0	0	0	109.2	R99 H110 I111 I112 R124 F137	R99-L108 HydrophobicContact CG-CD2 3.84Å; R99-L108 HydrophobicContact CG-CG 4.48Å; L108-H110 PolarHBondContact O-N 3.44Å; L108-I111 HydrophobicContact CB-CB 4.08Å; L108-I111 HydrophobicContact CB-CG1 3.75Å; L108-I111 HydrophobicContact CD1-CG1 4.03Å; L108-I111 PolarHBondContact O-N 2.84Å; L108-I112 PolarHBondContact O-N 3.43Å; L108-R124 HydrophobicContact CD1-CG 3.87Å; L108-F137 HydrophobicContact CD2-CE1 4.45Å; L108-F137 HydrophobicContact CD2-CE2 4.12Å; L108-F137 HydrophobicContact CD2-CZ 3.69Å
109	P	92.4	Very high	90	Very high	6 Å²	6	39.8 Å²	39.8	4%	0.039	20%	0.196	C	C	.	.	H	α-helix	trans	-66.4	-43.1	-168.7	24.3	-34.3	0	0	0	113.4	I92 G98 M100 I111 I112 Y113 V144 I146	I92-P109 HydrophobicContact CD1-CB 3.53Å; I92-P109 HydrophobicContact CD1-CG 4.15Å; I92-P109 HydrophobicContact CG1-CB 4.42Å; G98-P109 WeakPolarHBondContact O-CD 3.2Å; M100-P109 HydrophobicContact CE-CB 4.23Å; P109-I111 PolarHBondContact O-N 3.1Å; P109-I112 WeakPolarHBondContact O-CG2 3.39Å; P109-I112 PolarHBondContact O-N 3.47Å; P109-Y113 WeakPolarHBondContact O-CD2 3.16Å; P109-Y113 PolarHBondContact O-N 3.17Å; P109-V144 HydrophobicContact CG-CG1 4.07Å; P109-I146 HydrophobicContact CB-CG2 4.12Å
110	H	92.2	Very high	90	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.037	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-39.4	176.3	62.4	-73.8	0	0	0	112.5	L108 S114 F137 Y151	L108-H110 PolarHBondContact O-N 3.44Å; H110-S114 VanDerWaalsContact O-CB 3.24Å; H110-S114 WeakPolarHBondContact O-CB 3.29Å; H110-S114 PolarHBondContact O-N 3.19Å; H110-S114 PolarHBondContact O-OG 3.49Å; H110-F137 HydrophobicContact CB-CB 4.29Å; H110-F137 AromaticContact CE1-CD1 3.14Å; H110-F137 WeakPolarHBondContact CE1-CD1 3.29Å; H110-F137 AromaticContact CE1-CD2 3.49Å; H110-F137 VanDerWaalsContact CE1-CD2 3.49Å; H110-F137 WeakPolarHBondContact CE1-CD2 3.42Å; H110-F137 AromaticContact CE1-CE1 3.5Å; H110-F137 VanDerWaalsContact CE1-CE1 3.5Å; H110-F137 WeakPolarHBondContact CE1-CE1 3.5Å; H110-F137 AromaticContact CE1-CE2 3.8Å; H110-F137 AromaticContact CE1-CG 3.13Å; H110-F137 WeakPolarHBondContact CE1-CG 3.47Å; H110-F137 AromaticContact CE1-CZ 3.81Å; H110-F137 AromaticContact CG-CG 3.94Å; H110-F137 WeakPolarHBondContact ND1-CB 3.28Å; H110-F137 AromaticContact ND1-CD1 3.75Å; H110-F137 AromaticContact ND1-CD2 3.28Å; H110-F137 VanDerWaalsContact ND1-CD2 3.28Å; H110-F137 WeakPolarHBondContact ND1-CD2 3.32Å; H110-F137 AromaticContact ND1-CE2 3.87Å; H110-F137 AromaticContact ND1-CG 3.2Å; H110-F137 WeakPolarHBondContact ND1-CG 3.41Å; H110-F137 AromaticContact NE2-CD1 3.64Å; H110-F137 AromaticContact NE2-CG 3.83Å; H110-Y151 HydrophobicContact CB-CE1 4Å; H110-Y151 HydrophobicContact CB-CE2 3.77Å; H110-Y151 VanDerWaalsContact CB-CZ 3.48Å; H110-Y151 WeakPolarHBondContact CB-OH 3.22Å
111	I	92.5	Very high	89.9	Confident	11 Å²	11	42 Å²	42	6%	0.056	22%	0.218	C	C	.	.	H	α-helix	trans	-65.8	-51.2	176.3	-56.2	-61.5	0	0	0	110.6	L108 P109 Y113 S114 R115 L122 L127	L108-I111 HydrophobicContact CB-CB 4.08Å; L108-I111 HydrophobicContact CB-CG1 3.75Å; L108-I111 HydrophobicContact CD1-CG1 4.03Å; L108-I111 PolarHBondContact O-N 2.84Å; P109-I111 PolarHBondContact O-N 3.1Å; I111-Y113 PolarHBondContact O-N 3.3Å; I111-S114 PolarHBondContact O-N 2.84Å; I111-R115 WeakPolarHBondContact O-CB 3.3Å; I111-R115 PolarHBondContact O-N 2.9Å; I111-L122 HydrophobicContact CD1-CD2 4.3Å; I111-L122 HydrophobicContact CG2-CD2 4.01Å; I111-L122 HydrophobicContact CG2-CG 4.43Å; I111-L127 HydrophobicContact CD1-CB 4.31Å; I111-L127 HydrophobicContact CD1-CD1 4.07Å; I111-L127 HydrophobicContact CD1-CG 4.08Å
112	I	92.4	Very high	89.7	Confident	5 Å²	5	36 Å²	36	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-67.6	-39.2	-170	-166.6	55.8	0	0	0	112.7	E49 F53 I102 C107 L108 P109 R115 I116	E49-I112 HydrophobicContact CG-CD1 3.95Å; F53-I112 HydrophobicContact CE1-CD1 3.89Å; F53-I112 HydrophobicContact CE1-CG1 4.03Å; I102-I112 HydrophobicContact CD1-CG2 4.38Å; C107-I112 HydrophobicContact CB-CB 4.12Å; C107-I112 HydrophobicContact CB-CG1 4.42Å; C107-I112 HydrophobicContact CB-CG2 4.39Å; L108-I112 PolarHBondContact O-N 3.43Å; P109-I112 WeakPolarHBondContact O-CG2 3.39Å; P109-I112 PolarHBondContact O-N 3.47Å; I112-R115 PolarHBondContact O-N 3.37Å; I112-I116 HydrophobicContact CG1-CD1 4.23Å; I112-I116 VanDerWaalsContact O-CG1 3.29Å; I112-I116 WeakPolarHBondContact O-CG1 3.48Å; I112-I116 PolarHBondContact O-N 2.83Å
113	Y	93.7	Very high	89.3	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-72.6	-36.3	177.2	-67.2	-50.8	0	0	0	112.3	A57 L61 M100 P109 I111 R115 I116 W117 I146	A57-Y113 HydrophobicContact CB-CE1 4.42Å; A57-Y113 PolarHBondContact O-OH 3.08Å; L61-Y113 HydrophobicContact CB-CE1 4.08Å; L61-Y113 WeakPolarHBondContact CB-OH 3.45Å; L61-Y113 HydrophobicContact CD1-CE2 4.19Å; L61-Y113 HydrophobicContact CD2-CD1 4.08Å; L61-Y113 HydrophobicContact CD2-CE1 3.77Å; L61-Y113 HydrophobicContact CD2-CE2 4.21Å; L61-Y113 HydrophobicContact CD2-CG 4.49Å; L61-Y113 HydrophobicContact CG-CE1 4.42Å; M100-Y113 HydrophobicContact CE-CE2 3.64Å; M100-Y113 WeakPolarHBondContact CE-OH 3.39Å; P109-Y113 WeakPolarHBondContact O-CD2 3.16Å; P109-Y113 PolarHBondContact O-N 3.17Å; I111-Y113 PolarHBondContact O-N 3.3Å; Y113-R115 VanDerWaalsContact C-N 3.27Å; Y113-R115 PolarHBondContact O-N 2.95Å; Y113-I116 HydrophobicContact CD1-CD1 4.24Å; Y113-I116 PolarHBondContact O-N 3.1Å; Y113-W117 HydrophobicContact CD1-CE3 4.49Å; Y113-W117 AromaticContact CD1-CH2 3.89Å; Y113-W117 HydrophobicContact CD1-CH2 3.89Å; Y113-W117 AromaticContact CD1-CZ3 3.61Å; Y113-W117 HydrophobicContact CD1-CZ3 3.61Å; Y113-W117 AromaticContact CG-CZ3 3.89Å; Y113-W117 HydrophobicContact CG-CZ3 3.89Å; Y113-W117 VanDerWaalsContact O-CE3 3.23Å; Y113-W117 PolarHBondContact O-N 3.42Å; Y113-I146 HydrophobicContact CD2-CB 3.69Å; Y113-I146 HydrophobicContact CD2-CD1 4.07Å; Y113-I146 HydrophobicContact CD2-CG2 3.69Å; Y113-I146 HydrophobicContact CE2-CB 4.33Å; Y113-I146 HydrophobicContact CE2-CD1 4.18Å; Y113-I146 HydrophobicContact CE2-CG2 4.01Å; Y113-I146 HydrophobicContact CG-CB 4.48Å
114	S	92.9	Very high	88.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-32.8	170	-56.2	0	0	0	0	112.6	H110 I111 R118 W119 L127	H110-S114 VanDerWaalsContact O-CB 3.24Å; H110-S114 WeakPolarHBondContact O-CB 3.29Å; H110-S114 PolarHBondContact O-N 3.19Å; H110-S114 PolarHBondContact O-OG 3.49Å; I111-S114 PolarHBondContact O-N 2.84Å; S114-R118 WeakPolarHBondContact O-CA 3.34Å; S114-R118 PolarHBondContact O-N 3.31Å; S114-W119 PolarHBondContact O-N 3.43Å; S114-L127 WeakPolarHBondContact OG-CD1 3.42Å
115	R	92	Very high	88.7	Confident	54 Å²	54	50.3 Å²	50.3	20%	0.204	23%	0.23	C	C	.	.	H	α-helix	trans	-71.7	-34.2	175	-169.6	-173.5	-71.1	177.2	-7.5	113.5	E49 I111 I112 Y113 W119 P120 L122	E49-R115 WeakPolarHBondContact OE1-CD 3.44Å; E49-R115 IonicContact OE1-CZ 3.8Å; E49-R115 IonicContact OE1-NE 3.69Å; E49-R115 IonicContact OE1-NH1 3.1Å; E49-R115 PolarHBondContact OE1-NH1 2.84Å; I111-R115 WeakPolarHBondContact O-CB 3.3Å; I111-R115 PolarHBondContact O-N 2.9Å; I112-R115 PolarHBondContact O-N 3.37Å; Y113-R115 VanDerWaalsContact C-N 3.27Å; Y113-R115 PolarHBondContact O-N 2.95Å; R115-W119 VanDerWaalsContact CA-O 3.27Å; R115-W119 WeakPolarHBondContact CA-O 3.46Å; R115-W119 WeakPolarHBondContact CG-O 3.17Å; R115-P120 WeakPolarHBondContact CG-O 3.15Å; R115-L122 PolarHBondContact NE-O 3Å; R115-L122 PolarHBondContact NH2-O 2.94Å
116	I	93.1	Very high	88.6	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-69.7	-37.1	177.4	-73.6	167.4	0	0	0	111.7	R45 Q46 A54 A57 I58 I112 Y113	R45-I116 WeakPolarHBondContact CA-O 3.39Å; R45-I116 HydrophobicContact CG-CG2 4.3Å; Q46-I116 PolarHBondContact N-O 3.3Å; A54-I116 HydrophobicContact CB-CG1 4.43Å; A57-I116 HydrophobicContact CB-CD1 3.79Å; I58-I116 HydrophobicContact CD1-CG2 4.01Å; I58-I116 HydrophobicContact CG1-CG2 4.46Å; I112-I116 HydrophobicContact CG1-CD1 4.23Å; I112-I116 VanDerWaalsContact O-CG1 3.29Å; I112-I116 WeakPolarHBondContact O-CG1 3.48Å; I112-I116 PolarHBondContact O-N 2.83Å; Y113-I116 HydrophobicContact CD1-CD1 4.24Å; Y113-I116 PolarHBondContact O-N 3.1Å
117	W	93.7	Very high	88.6	Confident	6 Å²	6	42 Å²	42	2%	0.023	20%	0.198	C	C	.	.	H	α-helix	trans	-115.4	-15.5	-170.1	-66.7	-58.9	0	0	0	116.9	L41 I58 L61 L75 I79 Y113 P148	L41-W117 HydrophobicContact CB-CZ2 4.21Å; L41-W117 HydrophobicContact CD1-CZ2 4.41Å; L41-W117 PolarHBondContact O-NE1 2.9Å; L41-W117 VanDerWaalsContact O-NE1 3.08Å; I58-W117 HydrophobicContact CD1-CZ2 3.72Å; I58-W117 HydrophobicContact CG1-CH2 4.2Å; I58-W117 HydrophobicContact CG1-CZ2 3.68Å; L61-W117 HydrophobicContact CD2-CH2 3.91Å; L61-W117 HydrophobicContact CD2-CZ3 4.33Å; L75-W117 HydrophobicContact CD1-CZ3 4.44Å; I79-W117 HydrophobicContact CD1-CD2 3.51Å; I79-W117 VanDerWaalsContact CD1-CE2 3.5Å; I79-W117 HydrophobicContact CD1-CE3 3.65Å; I79-W117 HydrophobicContact CD1-CG 4.12Å; I79-W117 HydrophobicContact CD1-CH2 3.82Å; I79-W117 HydrophobicContact CD1-CZ2 3.68Å; I79-W117 HydrophobicContact CD1-CZ3 3.79Å; I79-W117 HydrophobicContact CG1-CD2 4.1Å; I79-W117 HydrophobicContact CG1-CE3 4.37Å; I79-W117 HydrophobicContact CG1-CG 4.23Å; I79-W117 HydrophobicContact CG2-CG 4.29Å; Y113-W117 HydrophobicContact CD1-CE3 4.49Å; Y113-W117 AromaticContact CD1-CH2 3.89Å; Y113-W117 HydrophobicContact CD1-CH2 3.89Å; Y113-W117 AromaticContact CD1-CZ3 3.61Å; Y113-W117 HydrophobicContact CD1-CZ3 3.61Å; Y113-W117 AromaticContact CG-CZ3 3.89Å; Y113-W117 HydrophobicContact CG-CZ3 3.89Å; Y113-W117 VanDerWaalsContact O-CE3 3.23Å; Y113-W117 PolarHBondContact O-N 3.42Å; W117-P148 HydrophobicContact CB-CG 4.18Å; W117-P148 HydrophobicContact CE3-CG 4.28Å
118	R	89.5	Confident	88.6	Confident	70 Å²	70	46.6 Å²	46.6	26%	0.264	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.5	-40.7	-174.7	-71	-170.4	72.7	-163.7	1.1	116.9	Q46 S114 P148 Y149 Y151	Q46-R118 VanDerWaalsContact CD-C 3.44Å; Q46-R118 VanDerWaalsContact NE2-C 3.35Å; Q46-R118 PolarHBondContact NE2-O 3.48Å; Q46-R118 PolarHBondContact OE1-O 3.17Å; Q46-R118 VanDerWaalsContact OE1-O 3.05Å; S114-R118 WeakPolarHBondContact O-CA 3.34Å; S114-R118 PolarHBondContact O-N 3.31Å; R118-P148 WeakPolarHBondContact CD-O 3.43Å; R118-P148 HydrophobicContact CG-CB 3.97Å; R118-P148 HydrophobicContact CG-CG 4.35Å; R118-P148 PolarHBondContact NH1-O 3.49Å; R118-Y149 HydrophobicContact CG-CE1 4.03Å; R118-Y151 PolarHBondContact NH1-O 2.87Å
119	W	89.7	Confident	88.6	Confident	43 Å²	43	47.5 Å²	47.5	16%	0.163	22%	0.216	C	C	.	.			trans	-141.7	95.6	-172.9	-62	-64.4	0	0	0	112	S114 R115 D121 L122 L127 R153	S114-W119 PolarHBondContact O-N 3.43Å; R115-W119 VanDerWaalsContact CA-O 3.27Å; R115-W119 WeakPolarHBondContact CA-O 3.46Å; R115-W119 WeakPolarHBondContact CG-O 3.17Å; W119-D121 PolarHBondContact O-N 2.67Å; W119-L122 HydrophobicContact CB-CB 3.87Å; W119-L122 HydrophobicContact CB-CD1 4.47Å; W119-L122 HydrophobicContact CE3-CD1 4.5Å; W119-L122 VanDerWaalsContact O-CB 3.26Å; W119-L122 WeakPolarHBondContact O-CB 3.35Å; W119-L122 PolarHBondContact O-N 2.98Å; W119-L127 HydrophobicContact CE3-CD2 3.82Å; W119-L127 HydrophobicContact CH2-CD2 4.13Å; W119-L127 HydrophobicContact CZ3-CD2 3.43Å; W119-L127 VanDerWaalsContact CZ3-CD2 3.43Å; W119-R153 HydrophobicContact CD2-CB 4.34Å; W119-R153 HydrophobicContact CH2-CB 4Å; W119-R153 HydrophobicContact CZ2-CB 3.69Å
120	P	86.4	Confident	88.5	Confident	53 Å²	53	48.2 Å²	48.2	34%	0.344	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-18.7	-169.1	31.1	-31.8	0	0	0	112.9	Q46 G48 R115	Q46-P120 HydrophobicContact CB-CB 4.42Å; Q46-P120 VanDerWaalsContact OE1-CD 3.27Å; G48-P120 VanDerWaalsContact CA-CB 3.44Å; R115-P120 WeakPolarHBondContact CG-O 3.15Å
121	D	85.2	Confident	88.3	Confident	96 Å²	96	58.2 Å²	58.2	51%	0.513	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-8.1	-177.1	64.1	-41.1	0	0	0	114	W119 H123 R153	W119-D121 PolarHBondContact O-N 2.67Å; D121-H123 PolarHBondContact O-N 2.84Å; D121-R153 VanDerWaalsContact CG-NH1 3.29Å; D121-R153 IonicContact OD1-CZ 3.68Å; D121-R153 IonicContact OD1-NH1 3.73Å; D121-R153 PolarHBondContact OD1-NH1 3.29Å; D121-R153 VanDerWaalsContact OD1-NH1 3.09Å; D121-R153 IonicContact OD1-NH2 3.63Å; D121-R153 IonicContact OD2-CZ 2.71Å; D121-R153 IonicContact OD2-NH1 2.72Å; D121-R153 PolarHBondContact OD2-NH1 3.33Å; D121-R153 IonicContact OD2-NH2 3.85Å; D121-R153 PolarHBondContact OD2-NH2 3.24Å
122	L	85.5	Confident	88.1	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	29%	0.288	C	S	.	.			trans	-54.2	123.8	-170.3	-177.7	73.9	0	0	0	114.6	I111 R115 W119 E126 L127 R153	I111-L122 HydrophobicContact CD1-CD2 4.3Å; I111-L122 HydrophobicContact CG2-CD2 4.01Å; I111-L122 HydrophobicContact CG2-CG 4.43Å; R115-L122 PolarHBondContact NE-O 3Å; R115-L122 PolarHBondContact NH2-O 2.94Å; W119-L122 HydrophobicContact CB-CB 3.87Å; W119-L122 HydrophobicContact CB-CD1 4.47Å; W119-L122 HydrophobicContact CE3-CD1 4.5Å; W119-L122 VanDerWaalsContact O-CB 3.26Å; W119-L122 WeakPolarHBondContact O-CB 3.35Å; W119-L122 PolarHBondContact O-N 2.98Å; L122-E126 HydrophobicContact CD1-CB 3.69Å; L122-L127 HydrophobicContact CD1-CD2 3.54Å; L122-L127 HydrophobicContact CD1-CG 3.83Å; L122-L127 HydrophobicContact CD2-CD1 3.64Å; L122-L127 HydrophobicContact CD2-CD2 3.95Å; L122-L127 HydrophobicContact CD2-CG 3.7Å; L122-L127 HydrophobicContact CG-CD2 4.37Å; L122-L127 HydrophobicContact CG-CG 4.27Å; L122-R153 HydrophobicContact CD1-CG 4.11Å
123	H	79.4	Confident	88.1	Confident	121 Å²	121	63.1 Å²	63.1	56%	0.56	29%	0.287	S	S	*	.			trans	-92.3	173.6	175.9	-151.5	78.5	0	0	0	114.5	D121 N125 E126	D121-H123 PolarHBondContact O-N 2.84Å; H123-N125 VanDerWaalsContact C-N 3.27Å; H123-N125 PolarHBondContact O-N 2.88Å; H123-N125 VanDerWaalsContact O-N 3.11Å; H123-E126 HydrophobicContact CB-CG 4.27Å; H123-E126 WeakPolarHBondContact CB-OE1 3.46Å; H123-E126 PolarHBondContact N-OE1 3.47Å; H123-E126 PolarHBondContact N-OE2 3Å; H123-E126 PolarHBondContact O-N 3.34Å
124	R	75.9	Confident	88	Confident	155 Å²	155	68.9 Å²	68.9	59%	0.585	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.3	-168	-170.7	174.6	177.1	-165.8	-4.8	116.1	L108	L108-R124 HydrophobicContact CD1-CG 3.87Å
125	N	79.6	Confident	88	Confident	143 Å²	143	72.2 Å²	72.2	77%	0.765	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.9	13.1	-171.1	-62.4	-10.7	0	0	0	113.6	H123	H123-N125 VanDerWaalsContact C-N 3.27Å; H123-N125 PolarHBondContact O-N 2.88Å; H123-N125 VanDerWaalsContact O-N 3.11Å
126	E	85.6	Confident	87.9	Confident	51 Å²	51	69.7 Å²	69.7	24%	0.238	32%	0.322	C	S	.	.			trans	-96.4	0.8	-170.3	-69.4	175.1	-151.1	0	0	114.5	L122 H123 R153 V154	L122-E126 HydrophobicContact CD1-CB 3.69Å; H123-E126 HydrophobicContact CB-CG 4.27Å; H123-E126 WeakPolarHBondContact CB-OE1 3.46Å; H123-E126 PolarHBondContact N-OE1 3.47Å; H123-E126 PolarHBondContact N-OE2 3Å; H123-E126 PolarHBondContact O-N 3.34Å; E126-R153 HydrophobicContact CB-CG 4.28Å; E126-R153 CarbonylContact O-C 3.55Å; E126-R153 VanDerWaalsContact O-CA 3.25Å; E126-R153 WeakPolarHBondContact O-CA 3.44Å; E126-R153 IonicContact OE2-CZ 3.64Å; E126-R153 IonicContact OE2-NE 3.27Å; E126-R153 PolarHBondContact OE2-NE 2.98Å; E126-R153 IonicContact OE2-NH2 2.73Å; E126-R153 PolarHBondContact OE2-NH2 3.43Å; E126-V154 PolarHBondContact O-N 2.84Å
127	L	88.7	Confident	87.7	Confident	14 Å²	14	71.6 Å²	71.6	7%	0.073	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.3	177.6	-66.7	-169.3	0	0	0	112.5	I111 S114 W119 L122 Y151 R153	I111-L127 HydrophobicContact CD1-CB 4.31Å; I111-L127 HydrophobicContact CD1-CD1 4.07Å; I111-L127 HydrophobicContact CD1-CG 4.08Å; S114-L127 WeakPolarHBondContact OG-CD1 3.42Å; W119-L127 HydrophobicContact CE3-CD2 3.82Å; W119-L127 HydrophobicContact CH2-CD2 4.13Å; W119-L127 HydrophobicContact CZ3-CD2 3.43Å; W119-L127 VanDerWaalsContact CZ3-CD2 3.43Å; L122-L127 HydrophobicContact CD1-CD2 3.54Å; L122-L127 HydrophobicContact CD1-CG 3.83Å; L122-L127 HydrophobicContact CD2-CD1 3.64Å; L122-L127 HydrophobicContact CD2-CD2 3.95Å; L122-L127 HydrophobicContact CD2-CG 3.7Å; L122-L127 HydrophobicContact CG-CD2 4.37Å; L122-L127 HydrophobicContact CG-CG 4.27Å; L127-Y151 HydrophobicContact CB-CD1 4.14Å; L127-Y151 HydrophobicContact CD1-CD1 4.3Å; L127-Y151 HydrophobicContact CD1-CG 4.05Å; L127-R153 HydrophobicContact CD2-CB 4.32Å
128	R	89	Confident	87.4	Confident	116 Å²	116	75.9 Å²	75.9	44%	0.438	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	146.1	162.9	-174.9	-178.2	66.4	-162.8	-2.1	109.3	E138 Y151 E152 V154	R128-E138 WeakPolarHBondContact CG-OE2 3.44Å; R128-Y151 CarbonylContact O-C 3.57Å; R128-Y151 WeakPolarHBondContact O-CA 3.44Å; R128-E152 IonicContact CZ-OE2 3.29Å; R128-E152 PolarHBondContact N-O 3.24Å; R128-E152 IonicContact NE-OE2 2.89Å; R128-E152 IonicContact NH2-OE2 2.69Å; R128-E152 PolarHBondContact NH2-OE2 2.73Å; R128-E152 PolarHBondContact O-N 2.89Å; R128-V154 HydrophobicContact CB-CG2 3.5Å
129	H	91.6	Very high	87.4	Confident	44 Å²	44	76.1 Å²	76.1	20%	0.204	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	146.6	174.4	71	-71.2	0	0	0	112.3	C133 E138 Y151	H129-C133 HydrophobicContact CB-CB 4.24Å; H129-E138 IonicContact CE1-OE2 2.72Å; H129-E138 IonicContact CG-OE2 3.43Å; H129-E138 PolarHBondContact N-OE2 2.98Å; H129-E138 VanDerWaalsContact N-OE2 3.09Å; H129-E138 IonicContact ND1-OE2 2.65Å; H129-E138 PolarHBondContact ND1-OE2 3.08Å; H129-Y151 HydrophobicContact CB-CD1 4.18Å; H129-Y151 HydrophobicContact CB-CE1 3.99Å
130	S	89.8	Confident	87.3	Confident	20 Å²	20	82.3 Å²	82.3	14%	0.14	39%	0.385	C	S	.	.			trans	-72	151.1	173.4	-56.8	0	0	0	0	111.2	H132 C133 H150	S130-H132 VanDerWaalsContact CB-CE1 3.41Å; S130-H132 WeakPolarHBondContact CB-CE1 3.26Å; S130-H132 PolarHBondContact O-N 2.93Å; S130-C133 VanDerWaalsContact O-CB 3.23Å; S130-C133 WeakPolarHBondContact O-CB 3.39Å; S130-C133 PolarHBondContact O-N 3.37Å; S130-H150 PolarHBondContact N-O 3.48Å; S130-H150 PolarHBondContact OG-O 3.27Å
131	K	87.7	Confident	87.4	Confident	219 Å²	219	83.2 Å²	83.2	95%	0.952	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.2	-176.1	-62.4	-178.3	-177.6	177.2	0	115.4
132	H	89.2	Confident	87.6	Confident	116 Å²	116	84.5 Å²	84.5	54%	0.537	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-5.7	176.5	57.9	-106	0	0	0	113.5	S130 L134 H150	S130-H132 VanDerWaalsContact CB-CE1 3.41Å; S130-H132 WeakPolarHBondContact CB-CE1 3.26Å; S130-H132 PolarHBondContact O-N 2.93Å; H132-L134 PolarHBondContact O-N 2.88Å; H132-H150 AromaticContact CD2-CD2 3.9Å; H132-H150 AromaticContact CD2-NE2 3.99Å; H132-H150 AromaticContact NE2-CD2 3.49Å; H132-H150 PolarHBondContact NE2-CD2 3.47Å; H132-H150 AromaticContact NE2-NE2 3.96Å
133	C	92.3	Very high	87.9	Confident	3 Å²	3	86 Å²	86	2%	0.02	40%	0.402	C	S	.	.			trans	-84.5	100.9	-179.3	-175.8	0	0	0	0	110.4	H129 S130 F135 G136 C145 H150	H129-C133 HydrophobicContact CB-CB 4.24Å; S130-C133 VanDerWaalsContact O-CB 3.23Å; S130-C133 WeakPolarHBondContact O-CB 3.39Å; S130-C133 PolarHBondContact O-N 3.37Å; C133-F135 PolarHBondContact O-N 3.06Å; C133-G136 PolarHBondContact SG-N 3.39Å; C133-G136 VanDerWaalsContact SG-N 3.43Å; C133-C145 WeakPolarHBondContact SG-CB 3.24Å; C133-H150 HydrophobicContact CB-CB 3.92Å
134	L	90.8	Very high	88.6	Confident	121 Å²	121	80.3 Å²	80.3	63%	0.634	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-21.2	-178.7	-62.4	-179.7	0	0	0	113.7	C89 H132 L139 Q141	C89-L134 PolarHBondContact SG-N 3.5Å; H132-L134 PolarHBondContact O-N 2.88Å; L134-L139 VanDerWaalsContact O-CD1 3.29Å; L134-L139 WeakPolarHBondContact O-CD1 3.23Å; L134-Q141 PolarHBondContact O-NE2 2.77Å; L134-Q141 PolarHBondContact O-OE1 2.96Å
135	F	92.8	Very high	89.5	Confident	70 Å²	70	72.9 Å²	72.9	31%	0.307	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	28.9	-174.8	-60.4	-88.6	0	0	0	112.7	C89 T91 C133 C143 C145	C89-F135 HydrophobicContact CB-CD2 3.66Å; C89-F135 HydrophobicContact CB-CE2 4.36Å; T91-F135 HydrophobicContact CG2-CB 3.71Å; T91-F135 HydrophobicContact CG2-CD1 4.13Å; T91-F135 HydrophobicContact CG2-CD2 3.7Å; T91-F135 HydrophobicContact CG2-CE2 4.34Å; T91-F135 HydrophobicContact CG2-CG 3.58Å; C133-F135 PolarHBondContact O-N 3.06Å; F135-C143 HydrophobicContact CD1-CB 3.78Å; F135-C143 HydrophobicContact CE1-CB 4.18Å; F135-C145 HydrophobicContact CB-CB 4.04Å; F135-C145 WeakPolarHBondContact O-CB 3.49Å; F135-C145 PolarHBondContact O-N 2.87Å
136	G	90.7	Very high	90.2	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	31%	0.311	C	S	.	.			trans	-54.1	141.1	179	0	0	0	0	0	112.7	C133 E138 L139	C133-G136 PolarHBondContact SG-N 3.39Å; C133-G136 VanDerWaalsContact SG-N 3.43Å; G136-E138 PolarHBondContact O-N 2.87Å; G136-E138 VanDerWaalsContact O-N 3.08Å; G136-L139 VanDerWaalsContact O-CB 3.32Å; G136-L139 WeakPolarHBondContact O-CB 3.29Å; G136-L139 PolarHBondContact O-N 2.79Å
137	F	89.5	Confident	90.6	Very high	42 Å²	42	63.7 Å²	63.7	18%	0.184	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-54.5	-34.9	-174.7	178.7	-98.4	0	0	0	114	R94 L108 H110 L139 K140 V144 Y151	R94-F137 PolarHBondContact NH2-O 3.32Å; L108-F137 HydrophobicContact CD2-CE1 4.45Å; L108-F137 HydrophobicContact CD2-CE2 4.12Å; L108-F137 HydrophobicContact CD2-CZ 3.69Å; H110-F137 HydrophobicContact CB-CB 4.29Å; H110-F137 AromaticContact CE1-CD1 3.14Å; H110-F137 WeakPolarHBondContact CE1-CD1 3.29Å; H110-F137 AromaticContact CE1-CD2 3.49Å; H110-F137 VanDerWaalsContact CE1-CD2 3.49Å; H110-F137 WeakPolarHBondContact CE1-CD2 3.42Å; H110-F137 AromaticContact CE1-CE1 3.5Å; H110-F137 VanDerWaalsContact CE1-CE1 3.5Å; H110-F137 WeakPolarHBondContact CE1-CE1 3.5Å; H110-F137 AromaticContact CE1-CE2 3.8Å; H110-F137 AromaticContact CE1-CG 3.13Å; H110-F137 WeakPolarHBondContact CE1-CG 3.47Å; H110-F137 AromaticContact CE1-CZ 3.81Å; H110-F137 AromaticContact CG-CG 3.94Å; H110-F137 WeakPolarHBondContact ND1-CB 3.28Å; H110-F137 AromaticContact ND1-CD1 3.75Å; H110-F137 AromaticContact ND1-CD2 3.28Å; H110-F137 VanDerWaalsContact ND1-CD2 3.28Å; H110-F137 WeakPolarHBondContact ND1-CD2 3.32Å; H110-F137 AromaticContact ND1-CE2 3.87Å; H110-F137 AromaticContact ND1-CG 3.2Å; H110-F137 WeakPolarHBondContact ND1-CG 3.41Å; H110-F137 AromaticContact NE2-CD1 3.64Å; H110-F137 AromaticContact NE2-CG 3.83Å; F137-L139 VanDerWaalsContact C-N 3.27Å; F137-L139 PolarHBondContact O-N 3.2Å; F137-K140 PolarHBondContact O-N 2.71Å; F137-V144 HydrophobicContact CB-CG1 4.07Å; F137-V144 HydrophobicContact CD2-CG1 3.8Å; F137-V144 HydrophobicContact CD2-CG2 4.14Å; F137-V144 HydrophobicContact CG-CG1 4.45Å; F137-Y151 HydrophobicContact CB-CE1 4.43Å; F137-Y151 PolarHBondContact N-OH 2.72Å; F137-Y151 VanDerWaalsContact N-OH 3.09Å
138	E	86.6	Confident	90.7	Very high	97 Å²	97	63 Å²	63	45%	0.453	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-66.7	-24.1	178.5	-62.4	165.6	120	0	0	113.2	R128 H129 G136 K140	R128-E138 WeakPolarHBondContact CG-OE2 3.44Å; H129-E138 IonicContact CE1-OE2 2.72Å; H129-E138 IonicContact CG-OE2 3.43Å; H129-E138 PolarHBondContact N-OE2 2.98Å; H129-E138 VanDerWaalsContact N-OE2 3.09Å; H129-E138 IonicContact ND1-OE2 2.65Å; H129-E138 PolarHBondContact ND1-OE2 3.08Å; G136-E138 PolarHBondContact O-N 2.87Å; G136-E138 VanDerWaalsContact O-N 3.08Å; E138-K140 PolarHBondContact O-N 3.09Å
139	L	89.1	Confident	90.9	Very high	74 Å²	74	59.7 Å²	59.7	39%	0.387	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-74.1	-3	-178.9	-57.8	177.9	0	0	0	113.7	L134 G136 F137 Q141	L134-L139 VanDerWaalsContact O-CD1 3.29Å; L134-L139 WeakPolarHBondContact O-CD1 3.23Å; G136-L139 VanDerWaalsContact O-CB 3.32Å; G136-L139 WeakPolarHBondContact O-CB 3.29Å; G136-L139 PolarHBondContact O-N 2.79Å; F137-L139 VanDerWaalsContact C-N 3.27Å; F137-L139 PolarHBondContact O-N 3.2Å; L139-Q141 HydrophobicContact CB-CG 4.31Å; L139-Q141 PolarHBondContact O-N 2.76Å
140	K	87.4	Confident	91.1	Very high	174 Å²	174	58 Å²	58	76%	0.757	28%	0.276	S	S	*	.			trans	54.3	17.3	175.1	-64.2	-179.4	-177.6	176.9	0	116.6	F137 E138	F137-K140 PolarHBondContact O-N 2.71Å; E138-K140 PolarHBondContact O-N 3.09Å
141	Q	88.1	Confident	91.2	Very high	71 Å²	71	57.2 Å²	57.2	33%	0.332	27%	0.27	S	S	.	.			trans	-67.1	160.2	176	-64.4	172.1	21.8	0	0	112.5	R94 L134 L139 C143	R94-Q141 PolarHBondContact NE-O 2.81Å; L134-Q141 PolarHBondContact O-NE2 2.77Å; L134-Q141 PolarHBondContact O-OE1 2.96Å; L139-Q141 HydrophobicContact CB-CG 4.31Å; L139-Q141 PolarHBondContact O-N 2.76Å; Q141-C143 PolarHBondContact O-N 2.83Å; Q141-C143 VanDerWaalsContact O-N 3.11Å
142	D	90.6	Very high	91.4	Very high	124 Å²	124	51.3 Å²	51.3	66%	0.663	25%	0.246	S	C	*	.	S	Bend	trans	-59.8	-21.5	178.5	-58.1	-41.2	0	0	0	113.5	Q93 R94	Q93-D142 PolarHBondContact NE2-O 3.46Å; R94-D142 VanDerWaalsContact CB-O 3.25Å; R94-D142 WeakPolarHBondContact CB-O 3.43Å; R94-D142 PolarHBondContact N-O 3.11Å
143	C	92	Very high	91.4	Very high	31 Å²	31	49.3 Å²	49.3	21%	0.209	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	147.2	173.1	-77.2	0	0	0	0	111.3	T91 I92 F135 Q141	T91-C143 HydrophobicContact CG2-CB 4.37Å; I92-C143 CarbonylContact O-C 3.59Å; I92-C143 WeakPolarHBondContact O-CA 3.16Å; F135-C143 HydrophobicContact CD1-CB 3.78Å; F135-C143 HydrophobicContact CE1-CB 4.18Å; Q141-C143 PolarHBondContact O-N 2.83Å; Q141-C143 VanDerWaalsContact O-N 3.11Å
144	V	93.1	Very high	90.9	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.4	179	-178.3	0	0	0	0	109.9	T91 I92 R94 P109 F137	T91-V144 CarbonylContact C-O 3.57Å; T91-V144 VanDerWaalsContact CA-O 3.26Å; T91-V144 WeakPolarHBondContact CA-O 3.38Å; I92-V144 PolarHBondContact N-O 2.87Å; I92-V144 PolarHBondContact O-N 3.36Å; R94-V144 HydrophobicContact CB-CG2 3.95Å; R94-V144 HydrophobicContact CG-CG2 4.18Å; P109-V144 HydrophobicContact CG-CG1 4.07Å; F137-V144 HydrophobicContact CB-CG1 4.07Å; F137-V144 HydrophobicContact CD2-CG1 3.8Å; F137-V144 HydrophobicContact CD2-CG2 4.14Å; F137-V144 HydrophobicContact CG-CG1 4.45Å
145	C	95.3	Very high	89.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	134.8	170.6	-169.1	0	0	0	0	110.8	V90 C133 F135 H150 Y151	V90-C145 CarbonylContact O-C 3.58Å; V90-C145 VanDerWaalsContact O-CA 3.3Å; V90-C145 WeakPolarHBondContact O-CA 3.29Å; C133-C145 WeakPolarHBondContact SG-CB 3.24Å; F135-C145 HydrophobicContact CB-CB 4.04Å; F135-C145 WeakPolarHBondContact O-CB 3.49Å; F135-C145 PolarHBondContact O-N 2.87Å; C145-H150 PolarHBondContact SG-ND1 3.09Å; C145-H150 VanDerWaalsContact SG-ND1 3.43Å; C145-Y151 HydrophobicContact CB-CE2 4.47Å; C145-Y151 VanDerWaalsContact O-CE2 3.29Å; C145-Y151 WeakPolarHBondContact O-CE2 3.27Å; C145-Y151 PolarHBondContact O-OH 2.99Å
146	I	94.2	Very high	87.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.25	C	C	.	.			trans	-117.4	-3	178.1	57.8	149.8	0	0	0	113.3	L61 V90 I92 P109 Y113 P148	L61-I146 HydrophobicContact CD1-CD1 3.34Å; L61-I146 HydrophobicContact CD2-CD1 3.45Å; L61-I146 VanDerWaalsContact CD2-CD1 3.45Å; L61-I146 HydrophobicContact CG-CD1 3.98Å; V90-I146 HydrophobicContact CB-CG1 4.08Å; V90-I146 HydrophobicContact CG1-CD1 3.85Å; V90-I146 HydrophobicContact CG1-CG1 3.8Å; V90-I146 WeakPolarHBondContact O-CG1 3.35Å; V90-I146 PolarHBondContact O-N 2.92Å; I92-I146 HydrophobicContact CD1-CG2 4.05Å; I92-I146 HydrophobicContact CG1-CG2 3.95Å; I92-I146 HydrophobicContact CG2-CD1 4.34Å; I92-I146 HydrophobicContact CG2-CG2 4.33Å; P109-I146 HydrophobicContact CB-CG2 4.12Å; Y113-I146 HydrophobicContact CD2-CB 3.69Å; Y113-I146 HydrophobicContact CD2-CD1 4.07Å; Y113-I146 HydrophobicContact CD2-CG2 3.69Å; Y113-I146 HydrophobicContact CE2-CB 4.33Å; Y113-I146 HydrophobicContact CE2-CD1 4.18Å; Y113-I146 HydrophobicContact CE2-CG2 4.01Å; Y113-I146 HydrophobicContact CG-CB 4.48Å; I146-P148 WeakPolarHBondContact O-CD 3.4Å
147	N	93.5	Very high	85.5	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.284	C	S	.	.			trans	-62.4	115.9	177	-177.5	-20.1	0	0	0	108.7	S87 K88 V90 Y149 H150 Y151	S87-N147 PolarHBondContact OG-ND2 3.34Å; K88-N147 PolarHBondContact O-ND2 3.11Å; V90-N147 HydrophobicContact CB-CB 4.37Å; V90-N147 HydrophobicContact CG2-CB 4.34Å; N147-Y149 PolarHBondContact O-N 3.08Å; N147-Y149 PolarHBondContact OD1-N 3.3Å; N147-Y149 VanDerWaalsContact OD1-N 3.1Å; N147-H150 HydrophobicContact CB-CB 4.19Å; N147-H150 PolarHBondContact ND2-NE2 2.97Å; N147-H150 WeakPolarHBondContact O-CB 3.41Å; N147-H150 PolarHBondContact O-N 3.43Å; N147-Y151 WeakPolarHBondContact O-CD2 3.45Å
148	P	92.2	Very high	83.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-70.8	-16.8	-171	32.4	-38.5	0	0	0	112.3	W117 R118 I146 H150	W117-P148 HydrophobicContact CB-CG 4.18Å; W117-P148 HydrophobicContact CE3-CG 4.28Å; R118-P148 WeakPolarHBondContact CD-O 3.43Å; R118-P148 HydrophobicContact CG-CB 3.97Å; R118-P148 HydrophobicContact CG-CG 4.35Å; R118-P148 PolarHBondContact NH1-O 3.49Å; I146-P148 WeakPolarHBondContact O-CD 3.4Å; P148-H150 VanDerWaalsContact C-N 3.34Å
149	Y	92.9	Very high	81.8	Confident	47 Å²	47	58.4 Å²	58.4	18%	0.184	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-84.7	-7.4	174.8	-58.6	-80.1	0	0	0	113.4	A78 S82 R118 N147 Y151	A78-Y149 HydrophobicContact CB-CD2 4.18Å; A78-Y149 WeakPolarHBondContact O-CE2 3.41Å; S82-Y149 WeakPolarHBondContact CA-OH 3.45Å; S82-Y149 WeakPolarHBondContact O-CE1 3.36Å; R118-Y149 HydrophobicContact CG-CE1 4.03Å; N147-Y149 PolarHBondContact O-N 3.08Å; N147-Y149 PolarHBondContact OD1-N 3.3Å; N147-Y149 VanDerWaalsContact OD1-N 3.1Å; Y149-Y151 VanDerWaalsContact C-N 3.27Å
150	H	94.2	Very high	79.8	Confident	7 Å²	7	60.4 Å²	60.4	3%	0.032	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-90.5	8.5	171.6	-71.3	-166.1	0	0	0	113	S87 K88 S130 H132 C133 C145 N147 P148	S87-H150 PolarHBondContact O-CE1 2.68Å; S87-H150 PolarHBondContact O-NE2 3.33Å; K88-H150 VanDerWaalsContact C-CE1 3.42Å; K88-H150 PolarHBondContact O-CE1 3.27Å; K88-H150 VanDerWaalsContact O-CE1 3.32Å; S130-H150 PolarHBondContact N-O 3.48Å; S130-H150 PolarHBondContact OG-O 3.27Å; H132-H150 AromaticContact CD2-CD2 3.9Å; H132-H150 AromaticContact CD2-NE2 3.99Å; H132-H150 AromaticContact NE2-CD2 3.49Å; H132-H150 PolarHBondContact NE2-CD2 3.47Å; H132-H150 AromaticContact NE2-NE2 3.96Å; C133-H150 HydrophobicContact CB-CB 3.92Å; C145-H150 PolarHBondContact SG-ND1 3.09Å; C145-H150 VanDerWaalsContact SG-ND1 3.43Å; N147-H150 HydrophobicContact CB-CB 4.19Å; N147-H150 PolarHBondContact ND2-NE2 2.97Å; N147-H150 WeakPolarHBondContact O-CB 3.41Å; N147-H150 PolarHBondContact O-N 3.43Å; P148-H150 VanDerWaalsContact C-N 3.34Å
151	Y	93.3	Very high	77.5	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.016	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	147.5	173.3	-66	-86.8	0	0	0	110.8	H110 R118 L127 R128 H129 F137 C145 N147 Y149	H110-Y151 HydrophobicContact CB-CE1 4Å; H110-Y151 HydrophobicContact CB-CE2 3.77Å; H110-Y151 VanDerWaalsContact CB-CZ 3.48Å; H110-Y151 WeakPolarHBondContact CB-OH 3.22Å; R118-Y151 PolarHBondContact NH1-O 2.87Å; L127-Y151 HydrophobicContact CB-CD1 4.14Å; L127-Y151 HydrophobicContact CD1-CD1 4.3Å; L127-Y151 HydrophobicContact CD1-CG 4.05Å; R128-Y151 CarbonylContact O-C 3.57Å; R128-Y151 WeakPolarHBondContact O-CA 3.44Å; H129-Y151 HydrophobicContact CB-CD1 4.18Å; H129-Y151 HydrophobicContact CB-CE1 3.99Å; F137-Y151 HydrophobicContact CB-CE1 4.43Å; F137-Y151 PolarHBondContact N-OH 2.72Å; F137-Y151 VanDerWaalsContact N-OH 3.09Å; C145-Y151 HydrophobicContact CB-CE2 4.47Å; C145-Y151 VanDerWaalsContact O-CE2 3.29Å; C145-Y151 WeakPolarHBondContact O-CE2 3.27Å; C145-Y151 PolarHBondContact O-OH 2.99Å; N147-Y151 WeakPolarHBondContact O-CD2 3.45Å; Y149-Y151 VanDerWaalsContact C-N 3.27Å
152	E	90.7	Very high	75.7	Confident	95 Å²	95	56 Å²	56	44%	0.444	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.5	176.4	-178.1	179.3	-151.4	0	0	107.9	R128 V154	R128-E152 IonicContact CZ-OE2 3.29Å; R128-E152 PolarHBondContact N-O 3.24Å; R128-E152 IonicContact NE-OE2 2.89Å; R128-E152 IonicContact NH2-OE2 2.69Å; R128-E152 PolarHBondContact NH2-OE2 2.73Å; R128-E152 PolarHBondContact O-N 2.89Å; E152-V154 PolarHBondContact O-N 2.71Å
153	R	89.5	Confident	73.6	Confident	74 Å²	74	57.3 Å²	57.3	28%	0.279	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	118.1	175.9	-168	177.5	-175.2	-176.2	-0.7	109	W119 D121 L122 E126 L127	W119-R153 HydrophobicContact CD2-CB 4.34Å; W119-R153 HydrophobicContact CH2-CB 4Å; W119-R153 HydrophobicContact CZ2-CB 3.69Å; D121-R153 VanDerWaalsContact CG-NH1 3.29Å; D121-R153 IonicContact OD1-CZ 3.68Å; D121-R153 IonicContact OD1-NH1 3.73Å; D121-R153 PolarHBondContact OD1-NH1 3.29Å; D121-R153 VanDerWaalsContact OD1-NH1 3.09Å; D121-R153 IonicContact OD1-NH2 3.63Å; D121-R153 IonicContact OD2-CZ 2.71Å; D121-R153 IonicContact OD2-NH1 2.72Å; D121-R153 PolarHBondContact OD2-NH1 3.33Å; D121-R153 IonicContact OD2-NH2 3.85Å; D121-R153 PolarHBondContact OD2-NH2 3.24Å; L122-R153 HydrophobicContact CD1-CG 4.11Å; E126-R153 HydrophobicContact CB-CG 4.28Å; E126-R153 CarbonylContact O-C 3.55Å; E126-R153 VanDerWaalsContact O-CA 3.25Å; E126-R153 WeakPolarHBondContact O-CA 3.44Å; E126-R153 IonicContact OE2-CZ 3.64Å; E126-R153 IonicContact OE2-NE 3.27Å; E126-R153 PolarHBondContact OE2-NE 2.98Å; E126-R153 IonicContact OE2-NH2 2.73Å; E126-R153 PolarHBondContact OE2-NH2 3.43Å; L127-R153 HydrophobicContact CD2-CB 4.32Å
154	V	82	Confident	70.9	Confident	58 Å²	58	59.7 Å²	59.7	35%	0.352	35%	0.353	S	S	.	.			trans	-91.2	113.4	176	-175.9	0	0	0	0	108	E126 R128 E152	E126-V154 PolarHBondContact O-N 2.84Å; R128-V154 HydrophobicContact CB-CG2 3.5Å; E152-V154 PolarHBondContact O-N 2.71Å
155	V	64.3	Low	68.1	Low	85 Å²	85	68.2 Å²	68.2	52%	0.515	40%	0.397	S	S	.	.			trans	-73.3	130.1	167.8	-177.4	0	0	0	0	107.9	D159 L160	V155-D159 HydrophobicContact CG1-CB 4.13Å; V155-L160 HydrophobicContact CG1-CD1 4.34Å
156	S	52.4	Low	65.3	Low	62 Å²	62	72.1 Å²	72.1	43%	0.434	43%	0.425	S	S	.	.			trans	-57.7	130.7	172.6	25.7	0	0	0	0	110.1	V158 D159	S156-V158 PolarHBondContact O-N 3.19Å; S156-D159 PolarHBondContact O-N 3.04Å; S156-D159 PolarHBondContact OG-OD2 2.71Å
157	P	44.9	Very low	62.7	Low	109 Å²	109	78 Å²	78	71%	0.708	46%	0.463	S	S	*	.	H	α-helix	trans	-56.2	-16.5	-178.8	-29.1	36.1	0	0	0	115.5	D159 L160	P157-D159 VanDerWaalsContact C-N 3.29Å; P157-D159 PolarHBondContact O-N 2.86Å; P157-L160 PolarHBondContact O-N 2.81Å
158	V	52.5	Low	60.1	Low	121 Å²	121	83.2 Å²	83.2	73%	0.733	50%	0.495	S	S	*	.	H	α-helix	trans	-61.8	-32.7	175.8	-171.2	0	0	0	0	112.4	S156	S156-V158 PolarHBondContact O-N 3.19Å
159	D	44.9	Very low	57.6	Low	90 Å²	90	89 Å²	89	48%	0.481	53%	0.533	S	S	.	.	H	α-helix	trans	-87	-22.2	179.5	-64.7	-59.9	0	0	0	113.3	V155 S156 P157 A162	V155-D159 HydrophobicContact CG1-CB 4.13Å; S156-D159 PolarHBondContact O-N 3.04Å; S156-D159 PolarHBondContact OG-OD2 2.71Å; P157-D159 VanDerWaalsContact C-N 3.29Å; P157-D159 PolarHBondContact O-N 2.86Å; D159-A162 PolarHBondContact O-N 3.36Å
160	L	46.8	Very low	54.9	Low	115 Å²	115	95.1 Å²	95.1	60%	0.602	56%	0.563	S	S	*	*	H	α-helix	trans	-73.2	-31	179.4	-128.9	72.4	0	0	0	112.1	V155 P157 A162 L163	V155-L160 HydrophobicContact CG1-CD1 4.34Å; P157-L160 PolarHBondContact O-N 2.81Å; L160-A162 VanDerWaalsContact C-N 3.29Å; L160-A162 PolarHBondContact O-N 3Å; L160-L163 PolarHBondContact O-N 2.88Å
161	A	39.4	Very low	52.4	Low	78 Å²	78	103.9 Å²	103.9	65%	0.645	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-27.5	173.7	0	0	0	0	0	112.8	L163	A161-L163 VanDerWaalsContact C-N 3.28Å; A161-L163 PolarHBondContact O-N 2.76Å
162	A	51.4	Low	49.6	Very low	76 Å²	76	112.7 Å²	112.7	63%	0.628	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-9.5	178.5	0	0	0	0	0	114	D159 L160	D159-A162 PolarHBondContact O-N 3.36Å; L160-A162 VanDerWaalsContact C-N 3.29Å; L160-A162 PolarHBondContact O-N 3Å
163	L	45.7	Very low	47.5	Very low	151 Å²	151	114.8 Å²	114.8	79%	0.791	66%	0.657	S	S	*	*	S	Bend	trans	-113.8	-3.4	-178	-65	173.8	0	0	0	113.5	L160 A161	L160-L163 PolarHBondContact O-N 2.88Å; A161-L163 VanDerWaalsContact C-N 3.28Å; A161-L163 PolarHBondContact O-N 2.76Å
164	S	36.4	Very low	45.2	Very low	80 Å²	80	119.6 Å²	119.6	56%	0.559	68%	0.684	S	S	*	*			trans	-106.6	85.5	179.6	-162.3	0	0	0	0	111.3	S166	S164-S166 PolarHBondContact O-N 2.91Å
165	L	33.3	Very low	42.7	Very low	180 Å²	180	122.6 Å²	122.6	94%	0.942	71%	0.706	S	S	*	*			trans	-73.3	72.4	171.9	-77.1	168.5	0	0	0	111.4
166	S	37.2	Very low	41.5	Very low	83 Å²	83	124.1 Å²	124.1	58%	0.58	72%	0.721	S	S	*	*			trans	-111.2	101.1	162.8	61.8	0	0	0	0	109.5	S164 T168	S164-S166 PolarHBondContact O-N 2.91Å; S166-T168 PolarHBondContact O-N 3.05Å; S166-T168 VanDerWaalsContact O-N 3.11Å
167	P	38.3	Very low	40.8	Very low	123 Å²	123	127.7 Å²	127.7	80%	0.799	74%	0.735	S	S	*	*			trans	-72.4	106.9	178.4	29	-32.5	0	0	0	109.7
168	T	40.1	Very low	40.4	Very low	110 Å²	110	128.7 Å²	128.7	68%	0.675	74%	0.739	S	S	*	*			trans	-68.1	127.6	161.1	42.1	0	0	0	0	108.5	S166 E170	S166-T168 PolarHBondContact O-N 3.05Å; S166-T168 VanDerWaalsContact O-N 3.11Å; T168-E170 PolarHBondContact O-N 3.04Å; T168-E170 VanDerWaalsContact O-N 3.07Å
169	P	40.2	Very low	39.6	Very low	121 Å²	121	126.1 Å²	126.1	79%	0.786	74%	0.737	S	S	*	*			trans	-72.4	106	178.4	28.8	-32.7	0	0	0	109.4	K171	P169-K171 PolarHBondContact O-N 3.18Å
170	E	36.2	Very low	39.4	Very low	176 Å²	176	126.8 Å²	126.8	82%	0.822	75%	0.749	S	S	*	*			trans	-68.5	119.4	171.2	-60.4	-172.8	157.1	0	0	108.5	T168 E172	T168-E170 PolarHBondContact O-N 3.04Å; T168-E170 VanDerWaalsContact O-N 3.07Å; E170-E172 PolarHBondContact O-N 3Å
171	K	40.5	Very low	38.9	Very low	191 Å²	191	130.5 Å²	130.5	83%	0.83	76%	0.763	S	S	*	*			trans	-84.6	106.1	171.2	-79.8	-171.3	173.1	-172.2	0	108.8	P169 D173	P169-K171 PolarHBondContact O-N 3.18Å; K171-D173 PolarHBondContact O-N 2.92Å
172	E	34.2	Very low	38.8	Very low	189 Å²	189	131.7 Å²	131.7	88%	0.883	77%	0.767	S	S	*	*			trans	-70.1	118.7	163.9	-57.1	176.6	133.6	0	0	108.8	E170	E170-E172 PolarHBondContact O-N 3Å
173	D	46.4	Very low	38.1	Very low	139 Å²	139	135.7 Å²	135.7	74%	0.743	78%	0.778	S	S	*	*			trans	-133.3	99.1	168.3	-96.9	-47.8	0	0	0	110.6	K171	K171-D173 PolarHBondContact O-N 2.92Å
174	M	42.1	Very low	37.6	Very low	175 Å²	175	133.6 Å²	133.6	86%	0.862	78%	0.775	S	S	*	*			trans	60.4	121	144.6	-140.3	64.5	62.8	0	0	121.4
175	C	29.8	Very low	37.6	Very low	120 Å²	120	135.1 Å²	135.1	81%	0.811	78%	0.783	S	S	*	*			trans	-65.9	150.4	164.2	-70.2	0	0	0	0	112.9
176	S	38.3	Very low	37.5	Very low	117 Å²	117	133.7 Å²	133.7	82%	0.818	78%	0.776	S	S	*	*			trans	-167	121	135.9	-103.6	0	0	0	0	113.2
177	D	37.5	Very low	37.3	Very low	137 Å²	137	134.7 Å²	134.7	73%	0.733	78%	0.783	S	S	*	*			trans	54.3	119.1	148	-101	-48.1	0	0	0	124.7
178	T	37.3	Very low	37.1	Very low	130 Å²	130	136.3 Å²	136.3	80%	0.798	78%	0.784	S	S	*	*			trans	33.4	133.8	133.7	52.5	0	0	0	0	122.8
179	G	35	Very low	36.7	Very low	67 Å²	67	136.7 Å²	136.7	69%	0.691	79%	0.786	S	S	*	*			trans	144.2	94.1	141.6	0	0	0	0	0	118
180	S	40.8	Very low	36.2	Very low	105 Å²	105	136.6 Å²	136.6	73%	0.734	79%	0.788	S	S	*	*			trans	66.8	110.8	137.9	-46.4	0	0	0	0	121.6
181	E	37.5	Very low	36	Very low	192 Å²	192	131.7 Å²	131.7	90%	0.897	79%	0.785	S	S	*	*				72.8	119.6	129.3	-60.7	-173.9	108.3	0	0	121.5
182	S	35.6	Very low	35.6	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	78%	0.783	S	S	*	*			trans	-71.8	139.9	170.6	51.7	0	0	0	0	114.1
183	N	37.9	Very low	35.4	Very low	160 Å²	160	131.3 Å²	131.3	86%	0.856	78%	0.781	S	S	*	*			trans	165.9	136.5	152.2	-87.3	-28.1	0	0	0	107.1
184	C	35.9	Very low	34.5	Very low	107 Å²	107	127.8 Å²	127.8	72%	0.723	78%	0.777	S	S	*	*			cis	-150.5	167.2	-1.5	-78.4	0	0	0	0	108.1
185	P	35.4	Very low	34	Very low	112 Å²	112	125.4 Å²	125.4	73%	0.727	77%	0.772	S	S	*	*			trans	-89.7	173.2	173.2	36.7	-34.8	0	0	0	114.1
186	D	31.4	Very low	34.1	Very low	150 Å²	150	127.3 Å²	127.3	80%	0.802	77%	0.77	S	S	*	*			trans	66.5	110.8	161.8	-65.3	-25.3	0	0	0	120.1
187	S	32.9	Very low	33.7	Very low	103 Å²	103	128.4 Å²	128.4	72%	0.72	77%	0.765	S	S	*	*				154.4	160.6	90.7	57.6	0	0	0	0	114.1
188	L	34.9	Very low	33.6	Very low	158 Å²	158	125.8 Å²	125.8	83%	0.827	76%	0.762	S	S	*	*			trans	70.9	141.8	167.2	-51.3	175.6	0	0	0	117.1
189	V	31.8	Very low	33.4	Very low	117 Å²	117	126.4 Å²	126.4	71%	0.709	76%	0.761	S	S	*	*			cis	162	120.8	-23.8	142.3	0	0	0	0	105.2
190	S	28.9	Very low	33.4	Very low	120 Å²	120	128 Å²	128	84%	0.839	76%	0.757	S	S	*	*			trans	61.2	145.3	159.8	74.7	0	0	0	0	121
191	G	32.3	Very low	33.1	Very low	73 Å²	73	133.2 Å²	133.2	75%	0.753	76%	0.761	S	S	*	*			trans	154.8	72	157.2	0	0	0	0	0	119.6
192	F	32.1	Very low	33	Very low	181 Å²	181	128.8 Å²	128.8	79%	0.794	75%	0.751	S	S	*	*			trans	40.9	122.7	141.9	-96.8	-115.7	0	0	0	123.6
193	K	28.8	Very low	33	Very low	191 Å²	191	128.9 Å²	128.9	83%	0.83	75%	0.75	S	S	*	*			trans	45.1	129.9	136.8	-62.9	-173.3	-177.3	179.2	0	121.4
194	G	28.7	Very low	32.9	Very low	65 Å²	65	128.7 Å²	128.7	67%	0.67	75%	0.748	S	S	*	*				146.1	98.9	120.9	0	0	0	0	0	120.8
195	T	30.6	Very low	33	Very low	124 Å²	124	129.2 Å²	129.2	76%	0.761	75%	0.75	S	S	*	*			trans	64.9	136.5	135.9	30.3	0	0	0	0	124.2
196	Q	32.1	Very low	33	Very low	161 Å²	161	126.9 Å²	126.9	75%	0.752	75%	0.747	S	S	*	*			trans	76.2	148.6	144.5	-70.8	178.9	101.6	0	0	117.7
197	I	31.2	Very low	33.2	Very low	139 Å²	139	127.5 Å²	127.5	71%	0.713	75%	0.75	S	S	*	*			cis	-156.6	147.1	10.3	-126.3	157.8	0	0	0	111.4
198	A	33.7	Very low	33.4	Very low	83 Å²	83	127.4 Å²	127.4	69%	0.686	75%	0.747	S	S	*	*			trans	47.2	163.7	147.6	0	0	0	0	0	122.8
199	D	34.1	Very low	33.2	Very low	142 Å²	142	127.5 Å²	127.5	76%	0.759	75%	0.747	S	S	*	*			cis	-163.2	169.5	6.7	-143.6	-15	0	0	0	115.2
200	V	34.7	Very low	33.2	Very low	102 Å²	102	128.5 Å²	128.5	62%	0.618	75%	0.748	S	S	*	*			trans	67.2	131.6	147.3	160.7	0	0	0	0	119.5
201	R	35.5	Very low	33.1	Very low	214 Å²	214	131.5 Å²	131.5	81%	0.808	75%	0.749	S	S	*	*			cis	-164.5	139.9	3.8	-123.6	179.8	-170	150.8	0.6	114.6
202	S	34.6	Very low	33	Very low	99 Å²	99	131.6 Å²	131.6	69%	0.692	75%	0.749	S	S	*	*				60.6	147.6	128.2	74.6	0	0	0	0	122.9
203	C	35.4	Very low	33	Very low	105 Å²	105	132.2 Å²	132.2	71%	0.709	75%	0.752	S	S	*	*			cis	-148	133.7	20.3	-88.5	0	0	0	0	111.6
204	L	36.9	Very low	33.1	Very low	156 Å²	156	130.1 Å²	130.1	82%	0.817	75%	0.75	S	S	*	*				92.7	158.1	79.9	-68.3	-176.9	0	0	0	115.6
205	P	37.5	Very low	33	Very low	119 Å²	119	132 Å²	132	77%	0.773	75%	0.751	S	S	*	*				-147.7	179.4	-72.1	41.9	-21	0	0	0	118.1
206	G	34.8	Very low	33.1	Very low	63 Å²	63	131.6 Å²	131.6	65%	0.649	75%	0.754	S	S	*	*			trans	88.9	152.9	149	0	0	0	0	0	119.3
207	D	36.5	Very low	33.2	Very low	163 Å²	163	128.8 Å²	128.8	87%	0.872	75%	0.752	S	S	*	*			cis	-163.1	173.3	-16	-106.4	-24.3	0	0	0	109.8
208	P	35.6	Very low	33	Very low	101 Å²	101	127 Å²	127	66%	0.656	75%	0.751	S	S	*	*			trans	-113.7	-170.6	-145.4	41.9	-36	0	0	0	118.5
209	I	32.3	Very low	32.8	Very low	160 Å²	160	129.2 Å²	129.2	82%	0.821	76%	0.756	S	S	*	*			trans	60.8	128.7	165.6	57.6	172.8	0	0	0	117.8
210	N	30.2	Very low	32.3	Very low	138 Å²	138	129.7 Å²	129.7	74%	0.738	76%	0.758	S	S	*	*			cis	-172.4	166.3	43.9	-161.4	9.5	0	0	0	111.8
211	E	27.7	Very low	31.8	Very low	183 Å²	183	132 Å²	132	86%	0.855	77%	0.766	S	S	*	*			trans	34.4	133.2	166.6	-52.1	-149.1	153	0	0	123.4
212	G	30.4	Very low	31.3	Very low	74 Å²	74	126.6 Å²	126.6	76%	0.763	76%	0.761	S	S	*	*			trans	148.2	87.4	149.1	0	0	0	0	0	119.7
213	K	32.8	Very low	31.1	Very low	194 Å²	194	128 Å²	128	84%	0.843	77%	0.766	S	S	*	*			trans	38.9	130.2	144.6	-67.5	173.6	179.2	169.7	0	122
214	N	29.4	Very low	30.8	Very low	147 Å²	147	131.5 Å²	131.5	79%	0.786	77%	0.771	S	S	*	*			trans	70.3	150.1	149.8	-58.5	-2.6	0	0	0	118.2
215	C	27	Very low	30.6	Very low	104 Å²	104	129.9 Å²	129.9	70%	0.703	77%	0.77	S	S	*	*			cis	-169	154.8	-28.8	-107	0	0	0	0	108.5
216	S	32.2	Very low	30.1	Very low	116 Å²	116	135.2 Å²	135.2	81%	0.811	78%	0.775	S	S	*	*			trans	72.8	133.7	169	-21.4	0	0	0	0	116.3
217	S	34	Very low	29.8	Very low	102 Å²	102	140.4 Å²	140.4	71%	0.713	79%	0.787	S	S	*	*			cis	-158.5	142.2	-11.3	-83	0	0	0	0	108
218	S	28.3	Very low	29.6	Very low	101 Å²	101	137.6 Å²	137.6	71%	0.706	78%	0.775	S	S	*	*			cis	81.2	126.3	19.7	98.6	0	0	0	0	113.8
219	V	28.4	Very low	29.3	Very low	130 Å²	130	140.2 Å²	140.2	79%	0.788	79%	0.79	S	S	*	*			cis	-151.6	148.2	10.9	171.4	0	0	0	0	112.3
220	L	25	Very low	29.5	Very low	152 Å²	152	143.4 Å²	143.4	80%	0.796	79%	0.791	S	S	*	*			trans	-95.6	144.9	158.2	-79.5	162.6	0	0	0	110.9
221	L	23.7	Very low	29.8	Very low	150 Å²	150	143 Å²	143	79%	0.785	79%	0.789	S	S	*	*			trans	58.3	131.8	152.6	-94.8	70.6	0	0	0	121.6
222	S	25.3	Very low	30	Very low	101 Å²	101	142 Å²	142	71%	0.706	79%	0.788	S	S	*	*			trans	94	142.9	131	79.2	0	0	0	0	123.1
223	T	30.4	Very low	30.3	Very low	128 Å²	128	147 Å²	147	79%	0.785	80%	0.797	S	S	*	*			trans	73.1	114.9	152.6	45.2	0	0	0	0	123.1
224	H	27.7	Very low	30.2	Very low	180 Å²	180	141.1 Å²	141.1	83%	0.833	79%	0.791	S	S	*	*			trans	-15.3	159.3	149.3	-62.9	-49	0	0	0	120
225	P	33.6	Very low	30.4	Very low	121 Å²	121	142.2 Å²	142.2	79%	0.786	79%	0.792	S	S	*	*			cis	-149	168.7	42.3	41.5	-20	0	0	0	121.9
226	R	26.6	Very low	30.5	Very low	231 Å²	231	145.6 Å²	145.6	87%	0.872	80%	0.797	S	S	*	*			trans	5.1	129.2	157.4	-67.2	177.5	168.5	164.5	-3.9	120.6
227	L	28.7	Very low	30.4	Very low	173 Å²	173	143.6 Å²	143.6	91%	0.906	80%	0.795	S	S	*	*			trans	-138.8	153	135.9	-76.5	179.2	0	0	0	109.9
228	T	32.2	Very low	30.2	Very low	103 Å²	103	143.9 Å²	143.9	63%	0.632	80%	0.797	S	S	*	*			trans	-108	147.5	-170.5	41.4	0	0	0	0	113.4	R230	T228-R230 PolarHBondContact O-N 3.2Å
229	V	30.3	Very low	30.3	Very low	157 Å²	157	147.2 Å²	147.2	95%	0.952	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	76.7	172.6	-172.7	0	0	0	0	110
230	R	35.5	Very low	30.4	Very low	226 Å²	226	146.5 Å²	146.5	85%	0.853	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.3	0.4	171.4	-137.3	175.7	-171.1	132	3.6	114.5	T228	T228-R230 PolarHBondContact O-N 3.2Å
231	D	36.4	Very low	30.4	Very low	130 Å²	130	144.5 Å²	144.5	70%	0.695	80%	0.795	S	S	*	*	S	Bend	trans	-113.9	13.8	-166.5	-60.9	-50.4	0	0	0	115
232	L	32.7	Very low	30.4	Very low	161 Å²	161	143.3 Å²	143.3	84%	0.843	80%	0.799	S	S	*	*	S	Bend	trans	-130.5	-3.1	-167.6	-79.9	176.6	0	0	0	119
233	L	35.4	Very low	30.4	Very low	181 Å²	181	143.6 Å²	143.6	95%	0.948	80%	0.8	S	S	*	*			trans	-143.4	122.7	169.5	-72	175.5	0	0	0	110.4
234	G	31	Very low	30.4	Very low	69 Å²	69	146.4 Å²	146.4	71%	0.711	80%	0.802	S	S	*	*			trans	-112.9	-175.6	174.6	0	0	0	0	0	112.5
235	E	33.5	Very low	30.3	Very low	171 Å²	171	145 Å²	145	80%	0.799	80%	0.8	S	S	*	*			trans	75.8	144.7	-178.1	-49.2	-149.1	97	0	0	117.3
236	Q	30	Very low	30.2	Very low	174 Å²	174	148.2 Å²	148.2	81%	0.813	81%	0.805	S	S	*	*			cis	-162.4	140.5	-30.7	-111.6	-161.5	77.2	0	0	107.9
237	G	30.7	Very low	30.1	Very low	74 Å²	74	145.1 Å²	145.1	76%	0.763	80%	0.8	S	S	*	*			trans	71.6	162.4	170	0	0	0	0	0	117.3
238	S	29	Very low	30.1	Very low	108 Å²	108	143.3 Å²	143.3	76%	0.755	80%	0.8	S	S	*	*			cis	-171.7	131.9	-16.1	42.3	0	0	0	0	111.7
239	H	30.3	Very low	29.9	Very low	171 Å²	171	144.3 Å²	144.3	79%	0.792	80%	0.802	S	S	*	*			trans	75	132.2	147.4	-76	-114.9	0	0	0	123.9
240	T	30	Very low	30	Very low	116 Å²	116	143.4 Å²	143.4	71%	0.712	79%	0.791	S	S	*	*			trans	58.9	116.7	144.6	56.9	0	0	0	0	120.1
241	S	24.6	Very low	29.7	Very low	109 Å²	109	139.2 Å²	139.2	76%	0.762	78%	0.781	S	S	*	*				78.6	104.8	50.8	79.5	0	0	0	0	116.8
242	C	25.3	Very low	29.4	Very low	126 Å²	126	140.8 Å²	140.8	85%	0.851	78%	0.784	S	S	*	*			trans	-165.9	153.6	140.4	-147.8	0	0	0	0	112.6
243	S	24.5	Very low	29.1	Very low	106 Å²	106	139.2 Å²	139.2	74%	0.741	78%	0.782	S	S	*	*			trans	-130.5	145.5	174.9	-51.2	0	0	0	0	110.6
244	K	30.3	Very low	29.1	Very low	188 Å²	188	135.5 Å²	135.5	82%	0.817	77%	0.768	S	S	*	*			trans	177.3	124.3	158.5	-95.8	147.6	-175.3	-177.8	0	106.8
245	N	25.5	Very low	29.1	Very low	151 Å²	151	140.1 Å²	140.1	81%	0.807	78%	0.776	S	S	*	*				89.7	148.9	56.7	-78.1	17.9	0	0	0	113.3
246	Q	30.6	Very low	28.8	Very low	188 Å²	188	137.3 Å²	137.3	88%	0.879	78%	0.775	S	S	*	*			trans	84.1	111.5	170.5	-141.6	154.1	46.6	0	0	114.2
247	E	25.5	Very low	29.1	Very low	166 Å²	166	134 Å²	134	78%	0.776	77%	0.769	S	S	*	*			cis	84.9	112.3	28.6	-159.5	165.6	107.4	0	0	114.8
248	C	29.1	Very low	28.9	Very low	134 Å²	134	137.9 Å²	137.9	91%	0.905	77%	0.772	S	S	*	*			trans	-172.7	153.3	159.4	-90.7	0	0	0	0	108.1
249	D	28.6	Very low	29	Very low	125 Å²	125	138.4 Å²	138.4	67%	0.668	78%	0.775	S	S	*	*				-164.7	166	-78.8	-140.6	-23.6	0	0	0	106.4
250	L	32	Very low	28.9	Very low	138 Å²	138	139.4 Å²	139.4	72%	0.723	78%	0.781	S	S	*	*			trans	69.2	143.9	164.4	-50.8	142.1	0	0	0	117.3
251	E	29.4	Very low	29.1	Very low	138 Å²	138	141.2 Å²	141.2	65%	0.645	78%	0.784	S	S	*	*			cis	-157.2	154.9	-2.1	-129.4	171.6	142.7	0	0	114.1
252	Q	30.3	Very low	29.5	Very low	163 Å²	163	142.7 Å²	142.7	76%	0.762	78%	0.784	S	S	*	*			trans	63.6	122.2	148.5	-80.7	160.5	24.1	0	0	124.7
253	T	25.1	Very low	29.8	Very low	128 Å²	128	141.1 Å²	141.1	79%	0.785	77%	0.774	S	S	*	*			trans	-96.2	-166.5	151.5	58.2	0	0	0	0	108.9
254	P	35	Very low	30.2	Very low	103 Å²	103	141.8 Å²	141.8	67%	0.669	78%	0.778	S	S	*	*			cis	-134.9	-165.2	-12.1	25.2	1.2	0	0	0	114.2
255	L	31.3	Very low	30.4	Very low	165 Å²	165	137 Å²	137	86%	0.864	78%	0.775	S	S	*	*			trans	105.8	138.7	152.1	-56	173.4	0	0	0	120
256	S	27.7	Very low	30.6	Very low	112 Å²	112	136.3 Å²	136.3	78%	0.783	78%	0.775	S	S	*	*			trans	-98.2	-163.8	-179.4	-26.6	0	0	0	0	111.1
257	P	36	Very low	30.6	Very low	106 Å²	106	135.2 Å²	135.2	69%	0.688	78%	0.775	S	S	*	*			cis	-135.4	-175.4	-23.4	37.5	-18.2	0	0	0	114.8
258	N	26.8	Very low	30.7	Very low	155 Å²	155	131.8 Å²	131.8	83%	0.829	77%	0.769	S	S	*	*			trans	60.4	118.8	150.6	-70.1	-5.3	0	0	0	123.9
259	S	32.1	Very low	30.8	Very low	118 Å²	118	129.9 Å²	129.9	83%	0.825	76%	0.757	S	S	*	*			trans	-178.3	120.5	133.7	38.3	0	0	0	0	108.5
260	Q	26.9	Very low	30.7	Very low	193 Å²	193	131 Å²	131	90%	0.902	76%	0.761	S	S	*	*				54.9	102	71.2	-94.6	-161.9	-46.4	0	0	116
261	I	34.8	Very low	30.8	Very low	154 Å²	154	132 Å²	132	79%	0.79	77%	0.766	S	S	*	*			trans	-151.5	110.8	153.1	-69.3	-163.3	0	0	0	108.5
262	D	31.9	Very low	30.7	Very low	140 Å²	140	130.1 Å²	130.1	75%	0.749	77%	0.768	S	S	*	*				47.3	157.4	128.4	-62.4	-60.2	0	0	0	124.5
263	S	33	Very low	30.6	Very low	92 Å²	92	126.7 Å²	126.7	64%	0.643	77%	0.768	S	S	*	*			cis	-172.5	156.2	-25.4	-104.5	0	0	0	0	113
264	S	32	Very low	30.7	Very low	120 Å²	120	126.1 Å²	126.1	84%	0.839	77%	0.769	S	S	*	*			trans	86.4	160.6	143.9	80.3	0	0	0	0	124.1
265	A	33.8	Very low	30.5	Very low	89 Å²	89	133 Å²	133	74%	0.736	78%	0.781	S	S	*	*			trans	66.2	98.6	179.3	0	0	0	0	0	116.4
266	V	29.7	Very low	30.3	Very low	135 Å²	135	131.6 Å²	131.6	82%	0.818	78%	0.779	S	S	*	*			cis	66.5	106	40	-166	0	0	0	0	114.2
267	L	31.4	Very low	30.4	Very low	166 Å²	166	133.4 Å²	133.4	87%	0.869	78%	0.78	S	S	*	*			trans	-165.6	121.5	136.6	-106.7	169.9	0	0	0	111.8
268	S	27.7	Very low	30.1	Very low	94 Å²	94	133.7 Å²	133.7	66%	0.657	78%	0.782	S	S	*	*			trans	-69.4	161.5	162.4	49.7	0	0	0	0	110.3
269	S	31.3	Very low	30.1	Very low	94 Å²	94	130.6 Å²	130.6	66%	0.657	78%	0.778	S	S	*	*				-176.4	142.5	65.3	-62.5	0	0	0	0	112.8
270	I	27.5	Very low	30.4	Very low	147 Å²	147	131.2 Å²	131.2	75%	0.754	78%	0.779	S	S	*	*				33.5	123.2	125.5	-48.8	172.3	0	0	0	119.6
271	I	32.4	Very low	30.6	Very low	159 Å²	159	130.2 Å²	130.2	82%	0.815	77%	0.774	S	S	*	*			trans	165.3	103.8	139	-85.4	153	0	0	0	105.3
272	S	28.6	Very low	30.3	Very low	100 Å²	100	129.7 Å²	129.7	70%	0.699	77%	0.772	S	S	*	*				79.6	112	67.9	-66.7	0	0	0	0	115.6
273	A	27.6	Very low	30.3	Very low	91 Å²	91	130.8 Å²	130.8	75%	0.752	78%	0.778	S	S	*	*			trans	68.5	119	147.5	0	0	0	0	0	121.8
274	S	26.6	Very low	30.1	Very low	115 Å²	115	137.6 Å²	137.6	80%	0.804	79%	0.79	S	S	*	*			trans	60.7	107.4	130	-54.9	0	0	0	0	120.4
275	R	31	Very low	30	Very low	248 Å²	248	135 Å²	135	94%	0.936	78%	0.781	S	S	*	*				-157.5	120.2	130	-109.1	162	-157.1	-162	4.8	112.4
276	V	27.7	Very low	30	Very low	135 Å²	135	139.2 Å²	139.2	82%	0.818	79%	0.786	S	S	*	*			trans	-69.9	141.1	162.4	-175.7	0	0	0	0	108
277	N	29.2	Very low	30	Very low	151 Å²	151	139.2 Å²	139.2	81%	0.807	79%	0.792	S	S	*	*			trans	-156.7	155	156.9	-103.4	-21.6	0	0	0	111
278	P	29.8	Very low	30.2	Very low	111 Å²	111	136.6 Å²	136.6	72%	0.721	78%	0.783	S	S	*	*			trans	-104.2	166	-139.3	38	-36.4	0	0	0	115.1
279	A	27.8	Very low	30.6	Very low	91 Å²	91	137.1 Å²	137.1	75%	0.752	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-64.5	144.9	169.1	0	0	0	0	0	111.9
280	P	37	Very low	31	Very low	130 Å²	130	135.8 Å²	135.8	84%	0.844	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-73.8	129.5	166.2	30.6	-31.4	0	0	0	110.2
281	H	31.2	Very low	31.2	Very low	172 Å²	172	134.9 Å²	134.9	80%	0.796	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-65.5	155.7	174.8	174.7	-80.2	0	0	0	111.7
282	L	30	Very low	31.2	Very low	143 Å²	143	130.8 Å²	130.8	75%	0.749	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-50	144.7	176.7	-75.2	74.4	0	0	0	112.7
283	D	30	Very low	31.4	Very low	163 Å²	163	128.4 Å²	128.4	87%	0.872	74%	0.735	S	S	*	*			trans	-129.7	161.5	135.3	-153.4	-2.4	0	0	0	110.4
284	R	30.2	Very low	31.5	Very low	236 Å²	236	132.5 Å²	132.5	89%	0.891	74%	0.742	S	S	*	*			trans	-123.4	96.4	-144.9	175	-173.3	-179.3	163	-1.4	110.3
285	G	28.4	Very low	31.6	Very low	64 Å²	64	131 Å²	131	66%	0.66	74%	0.738	S	S	*	*			trans	-178.5	130.5	173.5	0	0	0	0	0	116.3
286	Q	33.9	Very low	31.5	Very low	179 Å²	179	125 Å²	125	84%	0.836	73%	0.733	S	S	*	*			trans	69.6	123	154.2	-54.4	-177.9	8.1	0	0	118.3	T288	Q286-T288 PolarHBondContact O-N 3.32Å; Q286-T288 PolarHBondContact O-OG1 2.9Å
287	S	31.2	Very low	31.7	Very low	134 Å²	134	126.7 Å²	126.7	94%	0.937	73%	0.732	S	S	*	*			trans	-54.5	106.6	170.6	-50.5	0	0	0	0	111.1
288	T	35.7	Very low	31.9	Very low	111 Å²	111	126.9 Å²	126.9	68%	0.681	73%	0.733	S	S	*	*			trans	-133.1	114.2	179.5	44.3	0	0	0	0	110.6	Q286 A290	Q286-T288 PolarHBondContact O-N 3.32Å; Q286-T288 PolarHBondContact O-OG1 2.9Å; T288-A290 PolarHBondContact O-N 3.37Å
289	M	36.5	Very low	32	Very low	105 Å²	105	130.4 Å²	130.4	52%	0.517	74%	0.74	S	S	.	*			trans	-72.1	114.3	164.6	-72.5	-144.1	-73.4	0	0	108.6	W291	M289-W291 HydrophobicContact CE-CZ2 4.12Å; M289-W291 PolarHBondContact O-N 2.75Å
290	A	38	Very low	32.3	Very low	67 Å²	67	130.6 Å²	130.6	55%	0.554	73%	0.734	S	S	*	*			trans	-79.9	100.1	165.7	0	0	0	0	0	109.1	T288	T288-A290 PolarHBondContact O-N 3.37Å
291	W	33.2	Very low	32.2	Very low	127 Å²	127	132.3 Å²	132.3	48%	0.481	73%	0.73	S	S	.	*			trans	-74.7	137	174.4	-74.8	79.8	0	0	0	111.1	M289 A561 R563	M289-W291 HydrophobicContact CE-CZ2 4.12Å; M289-W291 PolarHBondContact O-N 2.75Å; W291-A561 HydrophobicContact CH2-CB 3.7Å; W291-A561 HydrophobicContact CZ2-CB 3.87Å; W291-R563 HydrophobicContact CH2-CG 4.11Å; W291-R563 HydrophobicContact CZ3-CG 4.32Å; W291-R563 VanDerWaalsContact CZ3-NH2 3.29Å
292	S	32.4	Very low	32	Very low	73 Å²	73	129.7 Å²	129.7	51%	0.51	73%	0.726	S	S	.	*			trans	-102.8	134.2	159.9	-54.8	0	0	0	0	107	D675	S292-D675 WeakPolarHBondContact CB-OD2 3.43Å
293	G	31.8	Very low	31.9	Very low	50 Å²	50	132 Å²	132	52%	0.515	73%	0.73	S	S	.	*			trans	129.4	95.8	-173.6	0	0	0	0	0	113	A295	G293-A295 PolarHBondContact O-N 2.94Å
294	I	29	Very low	31.9	Very low	177 Å²	177	130.3 Å²	130.3	91%	0.908	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-69.8	116.1	174.1	-66.8	166.6	0	0	0	108.9
295	A	29.2	Very low	31.7	Very low	85 Å²	85	127.4 Å²	127.4	70%	0.702	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-85.8	120.5	169.6	0	0	0	0	0	110	G293	G293-A295 PolarHBondContact O-N 2.94Å
296	S	30.3	Very low	31.8	Very low	121 Å²	121	130.2 Å²	130.2	85%	0.846	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-79.6	123.1	163.6	-167.7	0	0	0	0	108.6
297	Q	31.7	Very low	31.4	Very low	170 Å²	170	125.8 Å²	125.8	79%	0.794	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-74.6	137.7	178.6	-64.2	178.1	-14	0	0	110.9
298	N	33.4	Very low	31.5	Very low	156 Å²	156	126.1 Å²	126.1	83%	0.834	72%	0.717	S	S	*	*			trans	-172.6	114.1	134.7	-95.3	-25.7	0	0	0	113
299	H	32.1	Very low	31.1	Very low	184 Å²	184	128.1 Å²	128.1	85%	0.852	72%	0.724	S	S	*	*			trans	3	162.2	159.1	-79.4	-70.3	0	0	0	125.2
300	P	34.1	Very low	30.8	Very low	96 Å²	96	132.9 Å²	132.9	62%	0.623	74%	0.742	S	S	*	*			trans	-107.4	172	-162.7	41.4	-32.9	0	0	0	114.4
301	H	33.3	Very low	30.3	Very low	165 Å²	165	134.7 Å²	134.7	76%	0.764	75%	0.75	S	S	*	*			trans	166.4	129.5	130.8	-102.1	-84.9	0	0	0	114.7
302	T	28.6	Very low	30.3	Very low	118 Å²	118	137.7 Å²	137.7	72%	0.724	77%	0.766	S	S	*	*			trans	22.1	128.8	139.4	53.2	0	0	0	0	123.3
303	F	26.5	Very low	30.3	Very low	191 Å²	191	140.8 Å²	140.8	84%	0.838	78%	0.778	S	S	*	*				104.9	140.4	127.8	-149.4	-140.1	0	0	0	121.8
304	I	30	Very low	30.3	Very low	128 Å²	128	143.9 Å²	143.9	66%	0.656	79%	0.791	S	S	*	*			trans	64.1	133.1	166.9	-17.3	-176.9	0	0	0	122.3
305	Q	27.1	Very low	30.4	Very low	174 Å²	174	140.3 Å²	140.3	81%	0.813	78%	0.782	S	S	*	*			trans	-56.9	150.7	155.8	-57.2	158	-52.1	0	0	113
306	S	29.8	Very low	30.6	Very low	123 Å²	123	143.3 Å²	143.3	86%	0.86	78%	0.784	S	S	*	*				-175	144.2	121.7	-82.8	0	0	0	0	111.1
307	A	26.5	Very low	30.8	Very low	87 Å²	87	146.4 Å²	146.4	72%	0.719	78%	0.783	S	S	*	*			trans	-90.4	155.4	175.6	0	0	0	0	0	111.5
308	T	33.3	Very low	30.8	Very low	140 Å²	140	143 Å²	143	86%	0.859	78%	0.778	S	S	*	*			trans	-163.3	139.1	145.3	6.9	0	0	0	0	110.5
309	N	26.8	Very low	30.9	Very low	154 Å²	154	143.4 Å²	143.4	82%	0.824	78%	0.775	S	S	*	*			trans	-80.7	152.8	173.7	-67.9	-38	0	0	0	110.7
310	F	30.3	Very low	30.9	Very low	205 Å²	205	141.5 Å²	141.5	90%	0.899	77%	0.771	S	S	*	*			trans	-143	127.5	153.4	-112	-82.5	0	0	0	111
311	S	26.1	Very low	30.7	Very low	104 Å²	104	143.1 Å²	143.1	73%	0.727	78%	0.779	S	S	*	*			trans	-111.4	142.6	170.8	-53.8	0	0	0	0	109.3
312	K	33.3	Very low	30.5	Very low	190 Å²	190	141.4 Å²	141.4	83%	0.826	78%	0.784	S	S	*	*			trans	-168.6	105.9	151.6	-115.2	170.2	-178.2	179.8	0	114.3
313	D	32.8	Very low	30.6	Very low	139 Å²	139	141.5 Å²	141.5	74%	0.743	78%	0.784	S	S	*	*			trans	40.7	127.9	130	-56.9	-45.5	0	0	0	124.3
314	S	31.7	Very low	30.8	Very low	114 Å²	114	139.2 Å²	139.2	80%	0.797	79%	0.786	S	S	*	*			trans	79.4	119.6	130.8	70.6	0	0	0	0	121.7
315	S	31	Very low	30.9	Very low	102 Å²	102	136.8 Å²	136.8	71%	0.713	79%	0.793	S	S	*	*				165.7	112.2	90.9	-165	0	0	0	0	115.7
316	I	33.3	Very low	31	Very low	148 Å²	148	139.6 Å²	139.6	76%	0.759	80%	0.797	S	S	*	*			trans	35.9	120.8	135.2	-44.2	175.2	0	0	0	121.8
317	K	34.6	Very low	31.2	Very low	187 Å²	187	139.5 Å²	139.5	81%	0.813	80%	0.797	S	S	*	*			trans	159.6	113.7	132.8	-88.1	170.4	-174.7	-178	0	109.1
318	S	31.7	Very low	31.3	Very low	99 Å²	99	143 Å²	143	69%	0.692	80%	0.803	S	S	*	*				55.2	117.2	69.4	80.8	0	0	0	0	111.7
319	E	35	Very low	31.4	Very low	164 Å²	164	143.4 Å²	143.4	77%	0.766	81%	0.806	S	S	*	*				-169.5	161.9	51.4	-96.8	-175.2	160	0	0	114.7
320	N	33.5	Very low	31.7	Very low	143 Å²	143	143.2 Å²	143.2	77%	0.765	80%	0.803	S	S	*	*			trans	76.6	129	141.7	-62	-17.3	0	0	0	125.3
321	T	30.2	Very low	32	Very low	131 Å²	131	139.3 Å²	139.3	80%	0.804	80%	0.798	S	S	*	*			trans	-90.5	149.3	176.4	-46.2	0	0	0	0	112.5	V323	T321-V323 HydrophobicContact CG2-CG2 4.39Å
322	C	29.3	Very low	32.3	Very low	129 Å²	129	141.2 Å²	141.2	87%	0.872	81%	0.805	S	S	*	*			trans	-158.3	166.3	143.5	60.1	0	0	0	0	111.6
323	V	29.5	Very low	32.1	Very low	119 Å²	119	139.6 Å²	139.6	72%	0.721	81%	0.805	S	S	*	*			trans	-130.9	162.6	-156.7	-164.4	0	0	0	0	111.8	T321	T321-V323 HydrophobicContact CG2-CG2 4.39Å
324	T	31.5	Very low	32.1	Very low	143 Å²	143	140.9 Å²	140.9	88%	0.877	81%	0.811	S	S	*	*			trans	85.3	146.7	161.5	74.7	0	0	0	0	119.2
325	G	32.3	Very low	32.4	Very low	77 Å²	77	140.3 Å²	140.3	79%	0.794	81%	0.805	S	S	*	*			trans	141.4	89.1	164.1	0	0	0	0	0	115.7
326	Y	27.9	Very low	32.4	Very low	233 Å²	233	140.9 Å²	140.9	91%	0.914	80%	0.804	S	S	*	*			trans	-78.9	143.4	167.5	-78.2	-103.4	0	0	0	111.4
327	S	34.2	Very low	32.4	Very low	121 Å²	121	141.6 Å²	141.6	85%	0.846	81%	0.808	S	S	*	*			trans	175.6	153	132.2	-81.5	0	0	0	0	113.9
328	N	30.2	Very low	32.3	Very low	160 Å²	160	143 Å²	143	86%	0.856	81%	0.808	S	S	*	*			trans	-84.9	144.4	-174.6	-49.8	-64.1	0	0	0	113.8
329	V	34.1	Very low	32.4	Very low	150 Å²	150	145.1 Å²	145.1	91%	0.909	82%	0.817	S	S	*	*			trans	-145.9	147.7	148.7	-171	0	0	0	0	110.8
330	I	34.2	Very low	32.1	Very low	150 Å²	150	145.6 Å²	145.6	77%	0.769	82%	0.822	S	S	*	*			trans	-86.9	155.9	-173.2	-74.3	169.2	0	0	0	112
331	P	34.9	Very low	32	Very low	123 Å²	123	146.9 Å²	146.9	80%	0.799	83%	0.828	S	S	*	*			trans	-86.3	168	-167.9	35.1	-38.5	0	0	0	115.6
332	V	33.9	Very low	31.9	Very low	144 Å²	144	146.6 Å²	146.6	87%	0.873	83%	0.826	S	S	*	*			trans	-137.5	137.5	179.3	-137.5	0	0	0	0	112.2
333	N	28.7	Very low	31.9	Very low	155 Å²	155	150.1 Å²	150.1	83%	0.829	83%	0.827	S	S	*	*			trans	-90.3	154.4	172.1	-86	-46.9	0	0	0	111.7
334	L	33.1	Very low	31.7	Very low	166 Å²	166	150.4 Å²	150.4	87%	0.869	83%	0.829	S	S	*	*			trans	-153.8	162.5	160.6	-123.8	61	0	0	0	108.7
335	P	36.8	Very low	31.5	Very low	102 Å²	102	149.4 Å²	149.4	66%	0.662	83%	0.827	S	S	*	*				-137.2	179.7	-111	30.9	-5.8	0	0	0	115.7
336	T	31.3	Very low	31.2	Very low	114 Å²	114	151.8 Å²	151.8	70%	0.699	83%	0.826	S	S	*	*			trans	35.3	128.4	143	-46	0	0	0	0	118.7
337	I	34.2	Very low	31.4	Very low	163 Å²	163	147.1 Å²	147.1	84%	0.836	82%	0.822	S	S	*	*				-156.5	146.1	86.5	-84.4	160.2	0	0	0	113
338	R	31.3	Very low	31.1	Very low	216 Å²	216	148.4 Å²	148.4	82%	0.815	82%	0.819	S	S	*	*			trans	-49.7	151.5	175.8	-52	171.3	176.9	-167.1	-3.8	113.9
339	T	34.1	Very low	31.4	Very low	144 Å²	144	146.7 Å²	146.7	88%	0.883	82%	0.817	S	S	*	*				-152.9	164.1	80.4	21.9	0	0	0	0	114.7
340	M	28.1	Very low	31.2	Very low	175 Å²	175	144.6 Å²	144.6	86%	0.862	81%	0.809	S	S	*	*			trans	-84.4	155.1	175.9	-65.6	176.3	158.1	0	0	111.5
341	D	31.6	Very low	31.1	Very low	170 Å²	170	144.6 Å²	144.6	91%	0.909	81%	0.809	S	S	*	*				-162.3	152.4	116.1	-100.7	-31	0	0	0	112.6
342	V	27.9	Very low	30.8	Very low	124 Å²	124	144.5 Å²	144.5	75%	0.752	81%	0.806	S	S	*	*			trans	-103.8	125.4	-176.4	171.5	0	0	0	0	109.2
343	F	29.4	Very low	30.6	Very low	204 Å²	204	146.6 Å²	146.6	90%	0.895	80%	0.804	S	S	*	*			trans	-148.9	126.7	155	-109.5	-77	0	0	0	113.2
344	T	25.6	Very low	30.8	Very low	125 Å²	125	144.4 Å²	144.4	77%	0.767	80%	0.796	S	S	*	*			trans	-84.9	127.9	167.2	45.1	0	0	0	0	110.6
345	C	26.8	Very low	30.6	Very low	122 Å²	122	142.6 Å²	142.6	82%	0.824	79%	0.794	S	S	*	*			trans	-158.5	134.9	153.1	36.3	0	0	0	0	113.7
346	T	27.2	Very low	30.4	Very low	126 Å²	126	144 Å²	144	77%	0.773	80%	0.801	S	S	*	*			trans	-72.1	145.8	166.2	47.5	0	0	0	0	112
347	T	32.8	Very low	30.3	Very low	135 Å²	135	146.2 Å²	146.2	83%	0.828	80%	0.803	S	S	*	*				173.4	143.5	122.9	37.2	0	0	0	0	112.6
348	N	27.9	Very low	30.2	Very low	149 Å²	149	145 Å²	145	80%	0.797	80%	0.804	S	S	*	*			trans	-71	163.9	165.5	-80.1	-10.9	0	0	0	111.3
349	P	35.5	Very low	30.1	Very low	124 Å²	124	141.5 Å²	141.5	81%	0.805	80%	0.801	S	S	*	*				-124.9	135.1	125.8	35	-29	0	0	0	112.8
350	S	29.3	Very low	30.2	Very low	105 Å²	105	140.3 Å²	140.3	73%	0.734	80%	0.799	S	S	*	*			trans	-76.7	143.1	175	-48.5	0	0	0	0	111.3
351	I	32.8	Very low	30.3	Very low	151 Å²	151	139.2 Å²	139.2	77%	0.774	80%	0.796	S	S	*	*			trans	-108.6	115.4	169.3	-58.2	178.3	0	0	0	108.8	F353	I351-F353 HydrophobicContact CG2-CD2 4.21Å; I351-F353 HydrophobicContact CG2-CE2 4.05Å
352	T	28.1	Very low	30.5	Very low	120 Å²	120	138.6 Å²	138.6	74%	0.736	79%	0.791	S	S	*	*			trans	-87.9	133	176.9	-59.2	0	0	0	0	110.2
353	F	30.8	Very low	30.6	Very low	188 Å²	188	138 Å²	138	83%	0.825	79%	0.788	S	S	*	*			trans	-117.1	131	162.2	-92.6	-86.2	0	0	0	110.6	I351	I351-F353 HydrophobicContact CG2-CD2 4.21Å; I351-F353 HydrophobicContact CG2-CE2 4.05Å
354	T	31.6	Very low	30.6	Very low	110 Å²	110	133.3 Å²	133.3	68%	0.675	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-91.9	143.3	-177.5	47.2	0	0	0	0	111.8
355	P	29.5	Very low	31	Very low	127 Å²	127	132.5 Å²	132.5	83%	0.825	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-81.2	127.4	172.3	32.4	-31.7	0	0	0	110.9
356	V	33.3	Very low	31.1	Very low	132 Å²	132	136.4 Å²	136.4	80%	0.8	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-93.7	126.1	170.9	176	0	0	0	0	109.3
357	Q	29.4	Very low	31.3	Very low	161 Å²	161	137.1 Å²	137.1	75%	0.752	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-78.1	143.2	174.4	-64.1	174.2	-7.2	0	0	111.2
358	T	31.9	Very low	31.2	Very low	138 Å²	138	136 Å²	136	85%	0.847	79%	0.785	S	S	*	*			trans	-133.1	108.6	152.5	50.6	0	0	0	0	109.3
359	N	29	Very low	31.6	Very low	141 Å²	141	134.5 Å²	134.5	75%	0.754	78%	0.783	S	S	*	*			trans	-78.3	140	173.2	-78	-34.8	0	0	0	111
360	S	35.6	Very low	31.4	Very low	120 Å²	120	133.1 Å²	133.1	84%	0.839	78%	0.782	S	S	*	*			trans	-151	109	149.3	56.5	0	0	0	0	109.3
361	L	30.2	Very low	31.4	Very low	152 Å²	152	139.2 Å²	139.2	80%	0.796	79%	0.791	S	S	*	*			trans	-73.6	153.6	174.1	-60.4	99.8	0	0	0	110.5
362	L	35	Very low	31.3	Very low	156 Å²	156	137.3 Å²	137.3	82%	0.817	79%	0.791	S	S	*	*				176.9	103	118.2	-90.5	164.3	0	0	0	112.2
363	T	30.7	Very low	31.5	Very low	113 Å²	113	136.4 Å²	136.4	69%	0.693	79%	0.79	S	S	*	*			trans	25.9	123.9	136.6	54.6	0	0	0	0	122
364	S	29.2	Very low	31.3	Very low	104 Å²	104	135 Å²	135	73%	0.727	79%	0.791	S	S	*	*			trans	46.9	130.9	137.7	62.9	0	0	0	0	119.8
365	S	34.4	Very low	31.5	Very low	108 Å²	108	135.6 Å²	135.6	76%	0.755	80%	0.799	S	S	*	*				-169.5	161.8	61.3	-57.8	0	0	0	0	112.9
366	F	28	Very low	31.6	Very low	205 Å²	205	135.8 Å²	135.8	90%	0.899	80%	0.799	S	S	*	*			trans	-61.4	135.4	169.5	-61.6	-103.1	0	0	0	113.2
367	V	32.1	Very low	31.7	Very low	140 Å²	140	135 Å²	135	85%	0.848	80%	0.796	S	S	*	*			trans	-156.8	137.9	135.2	-160.1	0	0	0	0	109.7
368	S	31.7	Very low	31.8	Very low	113 Å²	113	133.4 Å²	133.4	79%	0.79	80%	0.797	S	S	*	*			trans	-95.2	152.2	167.1	-48.8	0	0	0	0	111.5
369	P	36.2	Very low	31.5	Very low	117 Å²	117	132.5 Å²	132.5	76%	0.76	80%	0.795	S	S	*	*			trans	-128.8	129.6	142.5	29.2	-14.5	0	0	0	110.8
370	A	30.6	Very low	31.8	Very low	95 Å²	95	133.9 Å²	133.9	79%	0.785	80%	0.801	S	S	*	*				76.8	122.9	57.3	0	0	0	0	0	113.4
371	Y	28.5	Very low	31.6	Very low	232 Å²	232	134 Å²	134	91%	0.91	80%	0.802	S	S	*	*			trans	-56.8	144.9	179.2	-85.9	-116.9	0	0	0	113.5
372	S	31.3	Very low	31.8	Very low	112 Å²	112	130.5 Å²	130.5	78%	0.783	80%	0.803	S	S	*	*				-172.7	125.5	128.9	-83.8	0	0	0	0	115.4
373	S	32.2	Very low	31.7	Very low	101 Å²	101	129.8 Å²	129.8	71%	0.706	80%	0.8	S	S	*	*			trans	26.1	131.4	144.5	61.2	0	0	0	0	123.9
374	N	27.8	Very low	32	Very low	158 Å²	158	131.1 Å²	131.1	85%	0.845	81%	0.808	S	S	*	*			trans	52.8	110.9	139.1	-69.6	-2.4	0	0	0	120.6
375	S	34.3	Very low	32.2	Very low	122 Å²	122	133.7 Å²	133.7	85%	0.853	81%	0.814	S	S	*	*				-176.2	134.9	115.8	33.8	0	0	0	0	113
376	T	32	Very low	32.1	Very low	132 Å²	132	132 Å²	132	81%	0.81	81%	0.814	S	S	*	*			trans	-92.9	148.4	163.5	50	0	0	0	0	109.9
377	P	35.6	Very low	32.2	Very low	116 Å²	116	126.7 Å²	126.7	75%	0.753	81%	0.807	S	S	*	*				-140	134.4	110.9	24.5	-5.3	0	0	0	113.4
378	V	31.7	Very low	32.4	Very low	126 Å²	126	125.7 Å²	125.7	76%	0.764	80%	0.802	S	S	*	*				62.5	118.8	95.3	-173.9	0	0	0	0	114.5
379	C	26.1	Very low	32.4	Very low	119 Å²	119	127.1 Å²	127.1	80%	0.804	80%	0.8	S	S	*	*			trans	-94.3	154.1	174.5	44.1	0	0	0	0	112.3
380	L	34.3	Very low	32.3	Very low	170 Å²	170	128.5 Å²	128.5	89%	0.89	80%	0.801	S	S	*	*			trans	-122.1	144.9	167.3	-95.2	85.3	0	0	0	111.4
381	S	31.8	Very low	32.6	Very low	123 Å²	123	128.9 Å²	128.9	86%	0.86	80%	0.798	S	S	*	*			trans	-92.7	159.9	178.6	-178.6	0	0	0	0	111.7
382	G	34.3	Very low	33.2	Very low	79 Å²	79	122.7 Å²	122.7	81%	0.814	79%	0.789	S	S	*	*			trans	-165.5	112.7	171.4	0	0	0	0	0	111.2
383	N	32.2	Very low	33.5	Very low	141 Å²	141	123.8 Å²	123.8	75%	0.754	79%	0.786	S	S	*	*			trans	-137	120.7	-171.5	-178.6	53.2	0	0	0	109.9
384	T	37.7	Very low	33.7	Very low	140 Å²	140	127.6 Å²	127.6	86%	0.859	79%	0.79	S	S	*	*			trans	-154.4	140.1	167.8	27.6	0	0	0	0	114.8
385	N	32.9	Very low	34.1	Very low	158 Å²	158	131.2 Å²	131.2	85%	0.845	79%	0.791	S	S	*	*			trans	-70.1	168.8	-177.1	-49.7	-53.1	0	0	0	115.9
386	G	32.3	Very low	34.4	Very low	73 Å²	73	131.8 Å²	131.8	75%	0.753	79%	0.793	S	S	*	*			trans	122.9	103.6	155.3	0	0	0	0	0	113.3
387	A	30.9	Very low	34.6	Very low	93 Å²	93	129.4 Å²	129.4	77%	0.769	79%	0.794	S	S	*	*				101.6	142.7	55.6	0	0	0	0	0	113.2
388	V	35.2	Very low	34.7	Very low	120 Å²	120	127.2 Å²	127.2	73%	0.727	79%	0.793	S	S	*	*			trans	65.1	103.2	159.8	-67.2	0	0	0	0	122.9
389	N	32.3	Very low	35.1	Very low	143 Å²	143	126.8 Å²	126.8	77%	0.765	80%	0.795	S	S	*	*				77.6	152.2	113.9	-60.2	-2.7	0	0	0	123.7
390	N	34.6	Very low	35.7	Very low	146 Å²	146	127 Å²	127	78%	0.781	80%	0.798	S	S	*	*			trans	73.5	113.8	168.8	-70.5	-23	0	0	0	117.4
391	S	35.9	Very low	36	Very low	103 Å²	103	122 Å²	122	72%	0.72	79%	0.787	S	S	*	*				85.8	115.2	50.2	-67.6	0	0	0	0	114
392	S	41.2	Very low	36.3	Very low	101 Å²	101	122.4 Å²	122.4	71%	0.706	79%	0.785	S	S	*	*				131.3	146.6	127	73	0	0	0	0	117.7
393	N	38.6	Very low	36.3	Very low	136 Å²	136	125.6 Å²	125.6	73%	0.727	79%	0.788	S	S	*	*			trans	74.9	117.6	164	-61.2	-39.3	0	0	0	118.3
394	K	36.4	Very low	36.5	Very low	180 Å²	180	122.9 Å²	122.9	78%	0.783	79%	0.794	S	S	*	*				89.4	101.6	52.9	-93.6	-171.8	170.3	174.3	0	113.7
395	R	36.7	Very low	36.4	Very low	234 Å²	234	119.6 Å²	119.6	88%	0.883	79%	0.788	S	S	*	*				163.1	148.2	111.5	-91.8	166.4	177.5	-94.1	4.7	112.5
396	P	39.7	Very low	36.4	Very low	135 Å²	135	118.2 Å²	118.2	88%	0.877	79%	0.79	S	S	*	*			trans	-107.3	166.7	173.5	39.9	-33.3	0	0	0	114.4
397	G	37.2	Very low	36.6	Very low	82 Å²	82	119.5 Å²	119.5	85%	0.845	79%	0.787	S	S	*	*			trans	136.2	147.9	174.4	0	0	0	0	0	111.2
398	G	36.7	Very low	36.8	Very low	70 Å²	70	121.8 Å²	121.8	72%	0.722	79%	0.792	S	S	*	*			cis	169.4	161.8	-5.8	0	0	0	0	0	111.3
399	S	40.8	Very low	36.8	Very low	116 Å²	116	120.1 Å²	120.1	81%	0.811	80%	0.798	S	S	*	*			trans	78	105.5	154.2	-52.1	0	0	0	0	122.6
400	S	37.8	Very low	37	Very low	124 Å²	124	117.4 Å²	117.4	87%	0.867	80%	0.804	S	S	*	*				56.6	134.7	120.7	67	0	0	0	0	125.1
401	G	39.9	Very low	37	Very low	64 Å²	64	115.4 Å²	115.4	66%	0.66	80%	0.801	S	S	*	*			trans	164.3	98.6	152.3	0	0	0	0	0	113.3
402	T	38.1	Very low	37	Very low	133 Å²	133	114 Å²	114	82%	0.816	80%	0.803	S	S	*	*				83.3	95.7	90.6	44.6	0	0	0	0	118.5
403	T	34.2	Very low	36.7	Very low	145 Å²	145	118.6 Å²	118.6	89%	0.89	81%	0.811	S	S	*	*				37.9	130.1	126.9	55	0	0	0	0	124
404	G	38.1	Very low	36.6	Very low	84 Å²	84	115.4 Å²	115.4	87%	0.866	81%	0.81	S	S	*	*			trans	157.1	139.6	152.8	0	0	0	0	0	111.2
405	G	34.6	Very low	36.6	Very low	72 Å²	72	113 Å²	113	74%	0.742	82%	0.816	S	S	*	*			cis	132.5	126.9	-2.9	0	0	0	0	0	112.2
406	C	33.5	Very low	36.5	Very low	129 Å²	129	105.6 Å²	105.6	87%	0.872	81%	0.813	S	S	*	*			trans	94.7	157.5	177.9	98.5	0	0	0	0	117.3
407	S	36.9	Very low	36.6	Very low	99 Å²	99	104 Å²	104	69%	0.692	81%	0.811	S	S	*	*			cis	-169.6	141	-31.3	-94.6	0	0	0	0	111.6
408	T	34.8	Very low	36.7	Very low	142 Å²	142	106.3 Å²	106.3	87%	0.871	81%	0.811	S	S	*	*			trans	37.7	132.8	146.4	59.5	0	0	0	0	123.6
409	G	35.5	Very low	36.7	Very low	84 Å²	84	109.4 Å²	109.4	87%	0.866	82%	0.82	S	S	*	*			trans	140.8	131	135.1	0	0	0	0	0	117.2
410	G	36	Very low	36.5	Very low	86 Å²	86	109.9 Å²	109.9	89%	0.887	82%	0.823	S	S	*	*			trans	134.3	79.5	162.6	0	0	0	0	0	117
411	S	34.5	Very low	36.6	Very low	104 Å²	104	107.7 Å²	107.7	73%	0.727	82%	0.821	S	S	*	*			trans	-88.9	145.7	170.3	53.5	0	0	0	0	112.8
412	G	36.7	Very low	36.6	Very low	74 Å²	74	111.9 Å²	111.9	76%	0.763	83%	0.833	S	S	*	*			trans	-161.4	131.5	169.2	0	0	0	0	0	111.9
413	F	34.5	Very low	36.4	Very low	198 Å²	198	109.2 Å²	109.2	87%	0.868	83%	0.832	S	S	*	*			trans	-116.9	163.6	-166.4	-47.6	-89.2	0	0	0	112.7
414	G	35.5	Very low	36.6	Very low	68 Å²	68	105.9 Å²	105.9	70%	0.701	83%	0.827	S	S	*	*			trans	130.7	92.4	169.9	0	0	0	0	0	112.3
415	S	37	Very low	36.6	Very low	129 Å²	129	106.8 Å²	106.8	90%	0.902	83%	0.826	S	S	*	*				79.8	111.3	58.2	-58.8	0	0	0	0	114.8
416	G	34.9	Very low	36.7	Very low	80 Å²	80	108.8 Å²	108.8	83%	0.825	84%	0.835	S	S	*	*			trans	112.9	108.9	140.8	0	0	0	0	0	118.7
417	A	42.2	Very low	37	Very low	102 Å²	102	106.7 Å²	106.7	84%	0.843	84%	0.835	S	S	*	*				130	111.9	129.8	0	0	0	0	0	115.8
418	P	37.8	Very low	37	Very low	130 Å²	130	107.4 Å²	107.4	84%	0.844	85%	0.847	S	S	*	*			trans	-105.3	143.2	152.9	35.6	-26.6	0	0	0	110.8
419	C	38	Very low	37.3	Very low	134 Å²	134	104.6 Å²	104.6	91%	0.905	85%	0.847	S	S	*	*			trans	-137.6	120.7	165.4	56.6	0	0	0	0	111.8
420	S	36.4	Very low	37.4	Very low	126 Å²	126	104.2 Å²	104.2	88%	0.881	84%	0.843	S	S	*	*			trans	-89.7	143.5	165.4	41.7	0	0	0	0	109.8
421	G	39.6	Very low	37.3	Very low	79 Å²	79	104.2 Å²	104.2	81%	0.814	84%	0.843	S	S	*	*			trans	-145.4	136.2	178.8	0	0	0	0	0	111.6
422	V	39.4	Very low	37.2	Very low	151 Å²	151	102.9 Å²	102.9	92%	0.915	85%	0.846	S	S	*	*			trans	-122.2	145	-168	171.6	0	0	0	0	110.7
423	G	34.4	Very low	37.1	Very low	77 Å²	77	112 Å²	112	79%	0.794	86%	0.857	S	S	*	*			trans	111.7	151.9	144.8	0	0	0	0	0	118.7
424	G	38	Very low	37.1	Very low	76 Å²	76	105.7 Å²	105.7	78%	0.784	85%	0.848	S	S	*	*			trans	103	94.5	175.3	0	0	0	0	0	113.1
425	A	39.5	Very low	37.4	Very low	103 Å²	103	110.2 Å²	110.2	85%	0.851	86%	0.856	S	S	*	*			cis	87.1	111.2	35.7	0	0	0	0	0	115.4
426	A	35.4	Very low	37.3	Very low	113 Å²	113	116.3 Å²	116.3	93%	0.934	86%	0.859	S	S	*	*			trans	60.7	124.2	154.3	0	0	0	0	0	121.5
427	G	39.6	Very low	37.7	Very low	85 Å²	85	124 Å²	124	88%	0.876	86%	0.863	S	S	*	*			trans	-166.9	111.3	161	0	0	0	0	0	109.9
428	A	38.2	Very low	38	Very low	114 Å²	114	122.1 Å²	122.1	94%	0.942	85%	0.854	S	S	*	*			trans	-112.1	156.6	-172.4	0	0	0	0	0	112.9
429	G	39.5	Very low	38.8	Very low	84 Å²	84	121.9 Å²	121.9	87%	0.866	85%	0.853	S	S	*	*			trans	125.3	143.5	-180	0	0	0	0	0	110.8
430	G	38.9	Very low	39.1	Very low	76 Å²	76	121.6 Å²	121.6	78%	0.784	85%	0.849	S	S	*	*			cis	-169.6	158.4	-2.8	0	0	0	0	0	107.7
431	G	32.9	Very low	39.8	Very low	86 Å²	86	119.8 Å²	119.8	89%	0.887	84%	0.842	S	S	*	*			trans	-67.3	153.7	-165.8	0	0	0	0	0	116
432	G	33.8	Very low	40.4	Very low	76 Å²	76	121.2 Å²	121.2	78%	0.784	84%	0.837	S	S	*	*			trans	-165	103.6	171.8	0	0	0	0	0	111.1
433	W	33.4	Very low	40.4	Very low	265 Å²	265	119.6 Å²	119.6	100%	1.004	83%	0.829	S	S	*	*			trans	-86.1	143.7	-178.2	-73.2	45.9	0	0	0	111
434	G	34.2	Very low	40.9	Very low	65 Å²	65	124.9 Å²	124.9	67%	0.67	83%	0.831	S	S	*	*			trans	107.1	90.4	162.9	0	0	0	0	0	116.2
435	N	41.6	Very low	40.9	Very low	164 Å²	164	127.5 Å²	127.5	88%	0.877	83%	0.832	S	S	*	*				-174.3	135.8	118.1	-97.5	-30.9	0	0	0	111.1	R437	N435-R437 PolarHBondContact O-N 3.31Å
436	R	35.2	Very low	41.1	Very low	256 Å²	256	128.7 Å²	128.7	97%	0.966	83%	0.831	S	S	*	*			trans	-66.4	124.6	176.4	-55.1	-168	-153.3	-115.5	12.1	109.4
437	R	42.9	Very low	41.2	Very low	241 Å²	241	129 Å²	129	91%	0.909	83%	0.826	S	S	*	*			trans	-111.1	119.5	158	-70.4	-172.1	-176.8	-121	2.9	108.2	N435	N435-R437 PolarHBondContact O-N 3.31Å
438	G	49	Very low	40.9	Very low	63 Å²	63	128.4 Å²	128.4	65%	0.649	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-68.7	170.4	169.6	0	0	0	0	0	111.7
439	P	55.6	Low	40.8	Very low	126 Å²	126	128 Å²	128	82%	0.818	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-62.5	154.2	177	28.3	-34.8	0	0	0	111.5
440	P	44.7	Very low	40.7	Very low	127 Å²	127	132.2 Å²	132.2	83%	0.825	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-69.9	135.1	-172.2	29.1	-35	0	0	0	111.9
441	A	50.6	Low	40.7	Very low	88 Å²	88	136 Å²	136	73%	0.727	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.1	146.2	169.1	0	0	0	0	0	110.9
442	P	52.2	Low	40.9	Very low	109 Å²	109	140 Å²	140	71%	0.708	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-68.4	145.5	174.4	29	-34.3	0	0	0	111.4	F444	P442-F444 PolarHBondContact O-N 2.84Å; P442-F444 VanDerWaalsContact O-N 3.13Å
443	P	39.2	Very low	41.6	Very low	117 Å²	117	142.3 Å²	142.3	76%	0.76	81%	0.809	S	S	*	*			trans	-89.1	79	-168.8	35.8	-36.4	0	0	0	112.7
444	F	45.2	Very low	42.8	Very low	189 Å²	189	136 Å²	136	83%	0.829	79%	0.794	S	S	*	*			trans	-139.2	92	169.9	-70.3	-72.4	0	0	0	112.8	P442	P442-F444 PolarHBondContact O-N 2.84Å; P442-F444 VanDerWaalsContact O-N 3.13Å
445	T	38.3	Very low	44.2	Very low	130 Å²	130	137.5 Å²	137.5	80%	0.798	79%	0.792	S	S	*	*			trans	-89	114.1	157.5	48.3	0	0	0	0	108.9	S447	T445-S447 PolarHBondContact O-N 3.33Å; T445-S447 VanDerWaalsContact O-N 3.15Å
446	P	42.8	Very low	45.6	Very low	129 Å²	129	134.6 Å²	134.6	84%	0.838	78%	0.78	S	S	*	*			trans	-81.7	95.5	179	31.6	-32.4	0	0	0	110.6	G448	P446-G448 PolarHBondContact O-N 2.9Å
447	S	37.1	Very low	47.5	Very low	119 Å²	119	124.1 Å²	124.1	83%	0.832	74%	0.743	S	S	*	*			trans	-72.8	106.7	164.3	-68.4	0	0	0	0	110.1	T445	T445-S447 PolarHBondContact O-N 3.33Å; T445-S447 VanDerWaalsContact O-N 3.15Å
448	G	33.6	Very low	49.2	Very low	72 Å²	72	113 Å²	113	74%	0.742	70%	0.702	S	S	*	*	S	Bend	trans	61.2	77.3	151.8	0	0	0	0	0	117.5	P446	P446-G448 PolarHBondContact O-N 2.9Å
449	S	36.7	Very low	50.5	Low	105 Å²	105	117 Å²	117	73%	0.734	71%	0.714	S	S	*	*			trans	-152.2	126.1	152	-78.2	0	0	0	0	109.6	L451	S449-L451 VanDerWaalsContact C-N 3.3Å; S449-L451 PolarHBondContact O-N 3.12Å
450	I	36.3	Very low	51.7	Low	173 Å²	173	115.8 Å²	115.8	89%	0.887	70%	0.698	S	S	*	*			trans	-75	87.1	176.5	-59.1	174.5	0	0	0	107.6	Q452	I450-Q452 PolarHBondContact O-N 3.2Å
451	L	39.4	Very low	53.7	Low	156 Å²	156	119.8 Å²	119.8	82%	0.817	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-74.8	118.4	169.1	-69.9	170.5	0	0	0	108.2	S449	S449-L451 VanDerWaalsContact C-N 3.3Å; S449-L451 PolarHBondContact O-N 3.12Å
452	Q	37	Very low	55.3	Low	171 Å²	171	120 Å²	120	80%	0.799	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-56.9	142.6	169.3	-70.6	177.8	-21.3	0	0	109.3	I450 L454	I450-Q452 PolarHBondContact O-N 3.2Å; Q452-L454 PolarHBondContact O-N 3.46Å
453	P	49.4	Very low	57.2	Low	124 Å²	124	115.8 Å²	115.8	81%	0.805	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-54.8	125	173.2	-22.9	33.1	0	0	0	109.7
454	L	57.4	Low	59.7	Low	132 Å²	132	116.7 Å²	116.7	69%	0.691	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-55.8	137.4	176	-79.2	167.6	0	0	0	109.4	Q452 V456	Q452-L454 PolarHBondContact O-N 3.46Å; L454-V456 PolarHBondContact O-N 3.39Å; L454-V456 VanDerWaalsContact O-N 3.16Å
455	P	65.1	Low	62.1	Low	97 Å²	97	110.7 Å²	110.7	63%	0.63	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-56.1	124.3	179.2	-24	32.9	0	0	0	110.7	R584	P455-R584 PolarHBondContact O-NH1 3.4Å; P455-R584 PolarHBondContact O-NH2 3.08Å
456	V	70.5	Confident	64.8	Low	102 Å²	102	105 Å²	105	62%	0.618	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-61.7	135.1	171.3	-171.8	0	0	0	0	107.8	L454 T458 E537	L454-V456 PolarHBondContact O-N 3.39Å; L454-V456 VanDerWaalsContact O-N 3.16Å; V456-T458 VanDerWaalsContact C-N 3.33Å; V456-T458 VanDerWaalsContact CG1-O 3.31Å; V456-T458 WeakPolarHBondContact CG1-O 3.48Å; V456-T458 PolarHBondContact O-N 2.72Å; V456-E537 WeakPolarHBondContact CG1-OE1 3.42Å
457	L	74.5	Confident	67.4	Low	36 Å²	36	98.9 Å²	98.9	19%	0.188	55%	0.553	C	S	.	*	S	Bend	trans	-68.4	-33.4	-174.3	-68.8	178.7	0	0	0	112.9	E537 I583 R584 H587 L698	L457-E537 PolarHBondContact N-OE1 3.39Å; L457-E537 PolarHBondContact N-OE2 3.23Å; L457-I583 HydrophobicContact CD1-CB 4.29Å; L457-I583 HydrophobicContact CD1-CD1 4.2Å; L457-I583 HydrophobicContact CD1-CG1 3.79Å; L457-I583 HydrophobicContact CD1-CG2 3.89Å; L457-R584 HydrophobicContact CD1-CG 3.97Å; L457-R584 HydrophobicContact CD2-CG 4.14Å; L457-R584 HydrophobicContact CG-CG 4.31Å; L457-H587 HydrophobicContact CD1-CB 4.37Å; L457-L698 HydrophobicContact CB-CD1 4.31Å; L457-L698 HydrophobicContact CB-CD2 4.25Å; L457-L698 HydrophobicContact CD1-CD1 4Å
458	T	78.2	Confident	70.2	Confident	8 Å²	8	94.1 Å²	94.1	5%	0.049	52%	0.519	C	S	.	.			trans	-143	146	174.9	176.6	0	0	0	0	113.4	V456 Q460 E537 R694 L698 E701	V456-T458 VanDerWaalsContact C-N 3.33Å; V456-T458 VanDerWaalsContact CG1-O 3.31Å; V456-T458 WeakPolarHBondContact CG1-O 3.48Å; V456-T458 PolarHBondContact O-N 2.72Å; T458-Q460 VanDerWaalsContact C-N 3.27Å; T458-Q460 HydrophobicContact CG2-CB 4.19Å; T458-Q460 WeakPolarHBondContact OG1-CB 3.18Å; T458-Q460 WeakPolarHBondContact OG1-CG 3.48Å; T458-Q460 PolarHBondContact OG1-N 3.09Å; T458-E537 PolarHBondContact N-OE1 3.48Å; T458-R694 VanDerWaalsContact CG2-NH2 3.25Å; T458-R694 PolarHBondContact O-NH2 3.11Å; T458-L698 HydrophobicContact CG2-CD2 3.52Å; T458-L698 HydrophobicContact CG2-CG 4.28Å; T458-E701 WeakPolarHBondContact CB-OE1 3.35Å; T458-E701 PolarHBondContact OG1-OE1 3.48Å; T458-E701 PolarHBondContact OG1-OE2 3.18Å
459	T	76.1	Confident	73.3	Confident	148 Å²	148	90.7 Å²	90.7	91%	0.908	48%	0.483	S	S	*	.			trans	-79.4	-6.2	171.3	54.3	0	0	0	0	113.3
460	Q	80.6	Confident	76.2	Confident	100 Å²	100	85.9 Å²	85.9	47%	0.467	45%	0.45	S	S	.	.	S	Bend	trans	-59.5	146.3	176.7	-71.1	-65.7	-2.1	0	0	112	T458 R694 E701	T458-Q460 VanDerWaalsContact C-N 3.27Å; T458-Q460 HydrophobicContact CG2-CB 4.19Å; T458-Q460 WeakPolarHBondContact OG1-CB 3.18Å; T458-Q460 WeakPolarHBondContact OG1-CG 3.48Å; T458-Q460 PolarHBondContact OG1-N 3.09Å; Q460-R694 PolarHBondContact O-NH1 2.78Å; Q460-E701 HydrophobicContact CG-CG 4.4Å; Q460-E701 WeakPolarHBondContact CG-OE1 3.47Å
461	R	86.9	Confident	79.1	Confident	211 Å²	211	77.7 Å²	77.7	80%	0.796	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-55.4	134.2	175.3	-174.2	-173.3	-77.6	-160.8	-3.5	109.6	Q697	R461-Q697 PolarHBondContact O-NE2 2.59Å
462	P	85.7	Confident	81.9	Confident	93 Å²	93	71.6 Å²	71.6	60%	0.604	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-51.7	142.3	170.6	-26.6	35.1	0	0	0	111.2
463	P	90.5	Very high	84.7	Confident	20 Å²	20	63.6 Å²	63.6	13%	0.13	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-70.2	153.1	-178.7	33	-35.5	0	0	0	110.1	Y465 S486 H693 R694	P463-Y465 VanDerWaalsContact C-N 3.28Å; P463-Y465 VanDerWaalsContact CB-O 3.27Å; P463-Y465 WeakPolarHBondContact CB-O 3.39Å; P463-Y465 VanDerWaalsContact CG-O 3.3Å; P463-Y465 WeakPolarHBondContact CG-O 3.28Å; P463-Y465 PolarHBondContact O-N 2.97Å; P463-S486 WeakPolarHBondContact O-CB 3.28Å; P463-S486 PolarHBondContact O-OG 2.79Å; P463-H693 HydrophobicContact CB-CB 3.81Å; P463-H693 HydrophobicContact CG-CB 3.81Å; P463-R694 HydrophobicContact CG-CB 4.45Å
464	E	93.2	Very high	86.9	Confident	135 Å²	135	60.7 Å²	60.7	63%	0.631	32%	0.315	S	S	*	.	S	Bend	trans	-62.9	-37.7	178.2	-173.3	-170.4	150.9	0	0	111.8	S486	E464-S486 WeakPolarHBondContact O-CB 3.38Å; E464-S486 PolarHBondContact O-N 2.73Å; E464-S486 PolarHBondContact O-OG 3.28Å
465	Y	94.8	Very high	88.7	Confident	63 Å²	63	60.5 Å²	60.5	25%	0.247	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.8	172.7	-53.5	-88.8	0	0	0	108.2	P463 K483 V484 P485 H693	P463-Y465 VanDerWaalsContact C-N 3.28Å; P463-Y465 VanDerWaalsContact CB-O 3.27Å; P463-Y465 WeakPolarHBondContact CB-O 3.39Å; P463-Y465 VanDerWaalsContact CG-O 3.3Å; P463-Y465 WeakPolarHBondContact CG-O 3.28Å; P463-Y465 PolarHBondContact O-N 2.97Å; Y465-K483 HydrophobicContact CD1-CB 3.36Å; Y465-K483 HydrophobicContact CD2-CD 4.44Å; Y465-K483 HydrophobicContact CE1-CB 3.67Å; Y465-K483 HydrophobicContact CE1-CD 4.41Å; Y465-K483 HydrophobicContact CE2-CD 4.36Å; Y465-K483 HydrophobicContact CG-CB 3.86Å; Y465-V484 CarbonylContact C-O 3.54Å; Y465-V484 WeakPolarHBondContact CA-O 3.33Å; Y465-V484 WeakPolarHBondContact CB-O 3.31Å; Y465-P485 HydrophobicContact CD1-CB 4.39Å; Y465-P485 HydrophobicContact CD1-CG 4.16Å; Y465-P485 HydrophobicContact CE1-CB 4.46Å; Y465-P485 HydrophobicContact CE1-CG 4Å; Y465-H693 VanDerWaalsContact O-CB 3.22Å; Y465-H693 WeakPolarHBondContact O-CB 3.5Å; Y465-H693 VanDerWaalsContact O-CG 3.28Å; Y465-H693 PolarHBondContact O-ND1 3.36Å; Y465-H693 VanDerWaalsContact O-ND1 3.12Å
466	W	95.2	Very high	90.1	Very high	12 Å²	12	59 Å²	59	5%	0.045	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-26.5	178.3	69.2	-93.3	0	0	0	112.2	V484 S486 Y488 V491 L532 N534 V540 L692 H693	W466-V484 HydrophobicContact CZ2-CG1 4.2Å; W466-V484 PolarHBondContact N-O 2.72Å; W466-S486 PolarHBondContact N-OG 3.25Å; W466-Y488 PolarHBondContact NE1-O 3.43Å; W466-V491 HydrophobicContact CH2-CG1 4.1Å; W466-V491 HydrophobicContact CZ2-CB 4.43Å; W466-V491 HydrophobicContact CZ2-CG1 3.7Å; W466-L532 HydrophobicContact CH2-CB 4.03Å; W466-N534 HydrophobicContact CD2-CB 3.81Å; W466-N534 HydrophobicContact CE3-CB 3.83Å; W466-N534 HydrophobicContact CG-CB 4.42Å; W466-N534 HydrophobicContact CH2-CB 4.1Å; W466-N534 HydrophobicContact CZ2-CB 4.06Å; W466-N534 HydrophobicContact CZ3-CB 3.98Å; W466-V540 HydrophobicContact CZ3-CG1 4.41Å; W466-V540 HydrophobicContact CZ3-CG2 4.12Å; W466-L692 HydrophobicContact CE3-CD2 4.44Å; W466-L692 HydrophobicContact CZ3-CD2 4.17Å; W466-H693 PolarHBondContact O-N 2.92Å
467	C	96.4	Very high	91.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	159.5	168.1	70.9	0	0	0	0	113.5	V484 I690 Q691 L692	C467-V484 PolarHBondContact O-N 2.84Å; C467-V484 VanDerWaalsContact SG-CG2 3.55Å; C467-I690 HydrophobicContact CB-CG2 3.9Å; C467-Q691 CarbonylContact C-O 3.6Å; C467-Q691 WeakPolarHBondContact CA-O 3.37Å; C467-Q691 WeakPolarHBondContact CB-O 3.45Å; C467-L692 HydrophobicContact CB-CD2 3.91Å
468	N	96.9	Very high	92.4	Very high	19 Å²	19	57 Å²	57	10%	0.102	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	140.6	163.8	-68.2	-18.2	0	0	0	109.4	L481 F482 K483 I690 Q691 H693	N468-L481 HydrophobicContact CB-CD1 3.95Å; N468-L481 HydrophobicContact CB-CD2 3.83Å; N468-L481 HydrophobicContact CB-CG 3.86Å; N468-F482 CarbonylContact C-O 3.49Å; N468-F482 WeakPolarHBondContact CA-O 3.25Å; N468-K483 WeakPolarHBondContact OD1-CG 3.37Å; N468-I690 CarbonylContact O-C 3.59Å; N468-I690 WeakPolarHBondContact O-CA 3.44Å; N468-Q691 PolarHBondContact N-O 2.96Å; N468-Q691 PolarHBondContact O-N 2.81Å; N468-H693 PolarHBondContact ND2-NE2 3.06Å; N468-H693 PolarHBondContact OD1-CE1 2.9Å; N468-H693 PolarHBondContact OD1-NE2 2.76Å; N468-H693 VanDerWaalsContact OD1-NE2 3.16Å
469	I	97.5	Very high	93.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.3	179.5	-48.5	-179.4	0	0	0	109.1	F482 V484 V491 V493 F505 L532 I688 E689 I690	I469-F482 HydrophobicContact CB-CB 4.41Å; I469-F482 PolarHBondContact N-O 3.24Å; I469-F482 PolarHBondContact O-N 3.13Å; I469-V484 HydrophobicContact CD1-CG2 3.98Å; I469-V484 HydrophobicContact CG1-CG2 4.26Å; I469-V491 HydrophobicContact CD1-CG1 4.08Å; I469-V491 HydrophobicContact CD1-CG2 4.24Å; I469-V493 HydrophobicContact CD1-CG2 3.73Å; I469-F505 HydrophobicContact CB-CD1 4.28Å; I469-F505 HydrophobicContact CB-CE1 4.45Å; I469-F505 HydrophobicContact CG2-CD1 3.96Å; I469-F505 HydrophobicContact CG2-CE1 4.07Å; I469-L532 HydrophobicContact CD1-CD1 4.22Å; I469-I688 HydrophobicContact CG2-CB 4Å; I469-I688 HydrophobicContact CG2-CD1 4.19Å; I469-I688 HydrophobicContact CG2-CG2 4.06Å; I469-E689 WeakPolarHBondContact CA-O 3.31Å; I469-I690 HydrophobicContact CG1-CG1 4.35Å; I469-I690 HydrophobicContact CG1-CG2 4.49Å; I469-I690 HydrophobicContact CG2-CG1 4.29Å
470	A	97.7	Very high	93.9	Very high	4 Å²	4	59.8 Å²	59.8	3%	0.033	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.2	172.5	0	0	0	0	0	109.7	F472 L481 I688 E689	A470-F472 HydrophobicContact CB-CD2 4.39Å; A470-F472 HydrophobicContact CB-CE2 3.58Å; A470-F472 HydrophobicContact CB-CZ 4.19Å; A470-L481 HydrophobicContact CB-CD1 3.69Å; A470-I688 CarbonylContact O-C 3.57Å; A470-I688 WeakPolarHBondContact O-CA 3.4Å; A470-E689 PolarHBondContact N-O 3.17Å; A470-E689 PolarHBondContact O-N 3.25Å
471	Y	98	Very high	94.6	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	140.9	175.3	175	-117.3	0	0	0	111.5	E473 Q477 V478 L507 L510 R523 C686 W687 I688	Y471-E473 HydrophobicContact CE1-CG 3.8Å; Y471-E473 WeakPolarHBondContact OH-CG 3.5Å; Y471-E473 PolarHBondContact OH-OE1 2.97Å; Y471-Q477 WeakPolarHBondContact O-CA 3.46Å; Y471-Q477 WeakPolarHBondContact O-CG 3.14Å; Y471-V478 HydrophobicContact CD1-CB 3.71Å; Y471-V478 HydrophobicContact CD1-CG1 3.89Å; Y471-V478 HydrophobicContact CE1-CB 3.94Å; Y471-V478 HydrophobicContact CE1-CG1 3.89Å; Y471-V478 PolarHBondContact O-N 3.2Å; Y471-L507 HydrophobicContact CD1-CD2 4.22Å; Y471-L507 HydrophobicContact CD2-CD1 3.81Å; Y471-L507 HydrophobicContact CD2-CD2 3.85Å; Y471-L507 HydrophobicContact CD2-CG 4.39Å; Y471-L507 HydrophobicContact CE2-CD1 3.84Å; Y471-L507 HydrophobicContact CE2-CD2 4.47Å; Y471-L507 HydrophobicContact CG-CD2 3.71Å; Y471-L510 HydrophobicContact CD1-CD1 3.48Å; Y471-L510 VanDerWaalsContact CD1-CD1 3.48Å; Y471-L510 HydrophobicContact CE1-CD1 4.11Å; Y471-L510 HydrophobicContact CG-CD1 4.19Å; Y471-R523 PolarHBondContact OH-NH1 3.29Å; Y471-C686 HydrophobicContact CE2-CB 4.1Å; Y471-C686 PolarHBondContact OH-SG 3.26Å; Y471-W687 VanDerWaalsContact CD2-O 3.28Å; Y471-W687 WeakPolarHBondContact CD2-O 3.13Å; Y471-I688 HydrophobicContact CD2-CG2 3.95Å
472	F	97.9	Very high	95	Very high	28 Å²	28	49.9 Å²	49.9	12%	0.123	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.5	-178.4	-66.9	-96.4	0	0	0	111.5	A470 Q476 Q477 C686 W687 E689	A470-F472 HydrophobicContact CB-CD2 4.39Å; A470-F472 HydrophobicContact CB-CE2 3.58Å; A470-F472 HydrophobicContact CB-CZ 4.19Å; F472-Q476 CarbonylContact C-O 3.54Å; F472-Q476 VanDerWaalsContact CA-O 3.25Å; F472-Q476 WeakPolarHBondContact CA-O 3.15Å; F472-Q477 HydrophobicContact CD1-CB 3.96Å; F472-Q477 HydrophobicContact CE1-CB 3.65Å; F472-Q477 HydrophobicContact CE1-CG 4.26Å; F472-Q477 HydrophobicContact CZ-CB 4.18Å; F472-Q477 HydrophobicContact CZ-CG 4.31Å; F472-C686 WeakPolarHBondContact O-CA 3.2Å; F472-W687 HydrophobicContact CB-CD2 3.76Å; F472-W687 HydrophobicContact CB-CE3 4.4Å; F472-W687 HydrophobicContact CB-CG 4.1Å; F472-W687 HydrophobicContact CB-CH2 4.26Å; F472-W687 HydrophobicContact CB-CZ2 3.6Å; F472-W687 AromaticContact CD1-CH2 3.99Å; F472-W687 HydrophobicContact CD1-CH2 3.99Å; F472-W687 AromaticContact CD1-CZ2 3.71Å; F472-W687 HydrophobicContact CD1-CZ2 3.71Å; F472-W687 HydrophobicContact CD2-CD2 4.23Å; F472-W687 HydrophobicContact CD2-CE3 4.01Å; F472-W687 AromaticContact CD2-CH2 3.65Å; F472-W687 HydrophobicContact CD2-CH2 3.65Å; F472-W687 AromaticContact CD2-CZ2 3.9Å; F472-W687 HydrophobicContact CD2-CZ2 3.9Å; F472-W687 AromaticContact CD2-CZ3 3.74Å; F472-W687 HydrophobicContact CD2-CZ3 3.74Å; F472-W687 HydrophobicContact CE1-CH2 4.24Å; F472-W687 HydrophobicContact CE1-CZ2 4.36Å; F472-W687 AromaticContact CE2-CH2 3.92Å; F472-W687 HydrophobicContact CE2-CH2 3.92Å; F472-W687 HydrophobicContact CE2-CZ3 4.05Å; F472-W687 HydrophobicContact CG-CD2 4.19Å; F472-W687 AromaticContact CG-CE2 3.72Å; F472-W687 HydrophobicContact CG-CE3 4.4Å; F472-W687 AromaticContact CG-CH2 3.71Å; F472-W687 HydrophobicContact CG-CH2 3.71Å; F472-W687 AromaticContact CG-CZ2 3.46Å; F472-W687 HydrophobicContact CG-CZ2 3.46Å; F472-W687 VanDerWaalsContact CG-CZ2 3.46Å; F472-W687 HydrophobicContact CG-CZ3 4.19Å; F472-W687 HydrophobicContact CZ-CH2 4.22Å; F472-W687 PolarHBondContact N-O 2.73Å; F472-W687 PolarHBondContact O-N 2.98Å; F472-E689 HydrophobicContact CE2-CB 3.94Å
473	E	96.9	Very high	95.5	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.6	163.6	-67.4	177.7	-171.3	0	0	107.3	Y471 D475 Q476 V478 N512 R515 R523 P685	Y471-E473 HydrophobicContact CE1-CG 3.8Å; Y471-E473 WeakPolarHBondContact OH-CG 3.5Å; Y471-E473 PolarHBondContact OH-OE1 2.97Å; E473-D475 PolarHBondContact O-N 3.27Å; E473-Q476 PolarHBondContact N-O 3.38Å; E473-Q476 PolarHBondContact O-N 3.48Å; E473-Q476 VanDerWaalsContact O-N 3.16Å; E473-V478 HydrophobicContact CB-CG2 3.93Å; E473-V478 HydrophobicContact CG-CG2 3.91Å; E473-N512 PolarHBondContact OE2-ND2 3.4Å; E473-R515 IonicContact OE1-CZ 3.78Å; E473-R515 VanDerWaalsContact OE1-CZ 3.25Å; E473-R515 IonicContact OE1-NE 2.75Å; E473-R515 PolarHBondContact OE1-NE 2.87Å; E473-R515 IonicContact OE1-NH2 2.73Å; E473-R515 PolarHBondContact OE1-NH2 3.04Å; E473-R515 IonicContact OE2-CZ 3.19Å; E473-R515 IonicContact OE2-NE 3.81Å; E473-R515 PolarHBondContact OE2-NE 2.9Å; E473-R515 IonicContact OE2-NH2 2.71Å; E473-R523 WeakPolarHBondContact OE1-CD 3.49Å; E473-R523 IonicContact OE1-CZ 3.21Å; E473-R523 IonicContact OE1-NE 3.09Å; E473-R523 IonicContact OE1-NH1 2.84Å; E473-R523 PolarHBondContact OE1-NH1 2.84Å; E473-R523 VanDerWaalsContact OE1-NH1 3.1Å; E473-P685 WeakPolarHBondContact CA-O 3.37Å
474	L	95.3	Very high	95.7	Very high	63 Å²	63	49.5 Å²	49.5	33%	0.33	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	-126.6	-169.7	-54.1	171.1	0	0	0	111.2	K682 T684 W687	L474-K682 CarbonylContact C-O 3.54Å; L474-K682 VanDerWaalsContact CA-O 3.27Å; L474-K682 WeakPolarHBondContact CA-O 3.4Å; L474-T684 WeakPolarHBondContact CA-O 3.26Å; L474-T684 PolarHBondContact N-O 2.85Å; L474-W687 PolarHBondContact O-NE1 3.16Å
475	D	94.6	Very high	95.8	Very high	129 Å²	129	43.8 Å²	43.8	69%	0.69	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	0.4	178.3	65.7	-32.8	0	0	0	113.8	E473 K682	E473-D475 PolarHBondContact O-N 3.27Å; D475-K682 HydrophobicContact CB-CB 4.46Å; D475-K682 PolarHBondContact N-O 2.81Å
476	Q	94.7	Very high	95.7	Very high	64 Å²	64	43 Å²	43	30%	0.299	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	131	-176.1	-172.9	-172.5	-8.2	0	0	112.2	F472 E473 N512 H514	F472-Q476 CarbonylContact C-O 3.54Å; F472-Q476 VanDerWaalsContact CA-O 3.25Å; F472-Q476 WeakPolarHBondContact CA-O 3.15Å; E473-Q476 PolarHBondContact N-O 3.38Å; E473-Q476 PolarHBondContact O-N 3.48Å; E473-Q476 VanDerWaalsContact O-N 3.16Å; Q476-N512 PolarHBondContact NE2-OD1 2.74Å; Q476-N512 PolarHBondContact OE1-OD1 2.71Å; Q476-H514 PolarHBondContact OE1-CD2 3.09Å
477	Q	97.1	Very high	95.6	Very high	94 Å²	94	49 Å²	49	44%	0.439	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	133.8	168	-171.6	180	-30.6	0	0	110.5	Y471 F472 G479	Y471-Q477 WeakPolarHBondContact O-CA 3.46Å; Y471-Q477 WeakPolarHBondContact O-CG 3.14Å; F472-Q477 HydrophobicContact CD1-CB 3.96Å; F472-Q477 HydrophobicContact CE1-CB 3.65Å; F472-Q477 HydrophobicContact CE1-CG 4.26Å; F472-Q477 HydrophobicContact CZ-CB 4.18Å; F472-Q477 HydrophobicContact CZ-CG 4.31Å; Q477-G479 PolarHBondContact NE2-O 3.24Å
478	V	95.8	Very high	95.5	Very high	4 Å²	4	53 Å²	53	2%	0.024	27%	0.268	C	S	.	.			trans	-122.9	119.1	-177.8	172.9	0	0	0	0	109.4	Y471 E473 L510 N512	Y471-V478 HydrophobicContact CD1-CB 3.71Å; Y471-V478 HydrophobicContact CD1-CG1 3.89Å; Y471-V478 HydrophobicContact CE1-CB 3.94Å; Y471-V478 HydrophobicContact CE1-CG1 3.89Å; Y471-V478 PolarHBondContact O-N 3.2Å; E473-V478 HydrophobicContact CB-CG2 3.93Å; E473-V478 HydrophobicContact CG-CG2 3.91Å; V478-L510 HydrophobicContact CG1-CB 3.99Å; V478-N512 HydrophobicContact CG1-CB 3.95Å; V478-N512 HydrophobicContact CG2-CB 3.82Å; V478-N512 WeakPolarHBondContact CG2-ND2 3.32Å
479	G	93.7	Very high	95.3	Very high	38 Å²	38	55.3 Å²	55.3	39%	0.392	29%	0.285	S	S	.	.	S	Bend	trans	81.7	178.6	-175.5	0	0	0	0	0	114.2	Q477	Q477-G479 PolarHBondContact NE2-O 3.24Å
480	E	93	Very high	95.2	Very high	175 Å²	175	60.8 Å²	60.8	82%	0.818	31%	0.306	S	S	*	.			trans	-77.4	166.1	177.8	-62.5	-174.9	176.3	0	0	112.1	F482	E480-F482 PolarHBondContact O-N 2.99Å
481	L	94.4	Very high	95.2	Very high	64 Å²	64	60.6 Å²	60.6	34%	0.335	30%	0.304	S	S	.	.			trans	-75.4	112.4	176.9	-172.5	70.2	0	0	0	110.1	N468 A470 K483	N468-L481 HydrophobicContact CB-CD1 3.95Å; N468-L481 HydrophobicContact CB-CD2 3.83Å; N468-L481 HydrophobicContact CB-CG 3.86Å; A470-L481 HydrophobicContact CB-CD1 3.69Å; L481-K483 PolarHBondContact O-N 3.39Å
482	F	95.7	Very high	95.1	Very high	39 Å²	39	62 Å²	62	17%	0.171	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	110.5	178.8	-169.6	-91.5	0	0	0	110.1	N468 I469 E480 V484 V491 P502 F505	N468-F482 CarbonylContact C-O 3.49Å; N468-F482 WeakPolarHBondContact CA-O 3.25Å; I469-F482 HydrophobicContact CB-CB 4.41Å; I469-F482 PolarHBondContact N-O 3.24Å; I469-F482 PolarHBondContact O-N 3.13Å; E480-F482 PolarHBondContact O-N 2.99Å; F482-V484 HydrophobicContact CD1-CG2 3.9Å; F482-V484 HydrophobicContact CE1-CG2 3.96Å; F482-V491 HydrophobicContact CE1-CG2 3.99Å; F482-P502 WeakPolarHBondContact CZ-O 3.43Å; F482-F505 HydrophobicContact CB-CB 4.42Å; F482-F505 HydrophobicContact CB-CD1 3.77Å; F482-F505 HydrophobicContact CB-CD2 3.84Å; F482-F505 HydrophobicContact CB-CE1 3.86Å; F482-F505 HydrophobicContact CB-CE2 3.94Å; F482-F505 HydrophobicContact CB-CG 3.76Å; F482-F505 HydrophobicContact CB-CZ 3.94Å; F482-F505 HydrophobicContact CD1-CB 3.77Å; F482-F505 HydrophobicContact CD1-CD1 4.46Å; F482-F505 HydrophobicContact CD1-CG 4.07Å; F482-F505 HydrophobicContact CD2-CB 3.91Å; F482-F505 AromaticContact CD2-CD2 3.48Å; F482-F505 HydrophobicContact CD2-CD2 3.48Å; F482-F505 VanDerWaalsContact CD2-CD2 3.48Å; F482-F505 HydrophobicContact CD2-CE2 4.14Å; F482-F505 AromaticContact CD2-CG 3.78Å; F482-F505 HydrophobicContact CD2-CG 3.78Å; F482-F505 HydrophobicContact CE1-CB 3.91Å; F482-F505 HydrophobicContact CE2-CB 4.05Å; F482-F505 HydrophobicContact CE2-CD2 4.16Å; F482-F505 HydrophobicContact CE2-CG 4.38Å; F482-F505 HydrophobicContact CG-CB 3.76Å; F482-F505 HydrophobicContact CG-CD1 4.06Å; F482-F505 AromaticContact CG-CD2 3.73Å; F482-F505 HydrophobicContact CG-CD2 3.73Å; F482-F505 HydrophobicContact CG-CE2 4.31Å; F482-F505 AromaticContact CG-CG 3.6Å; F482-F505 HydrophobicContact CG-CG 3.6Å; F482-F505 HydrophobicContact CZ-CB 4.05Å
483	K	95.6	Very high	95.1	Very high	105 Å²	105	60.6 Å²	60.6	46%	0.457	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.4	179.6	-48	-174.1	-179	175.8	0	109.4	Y465 N468 L481 P485	Y465-K483 HydrophobicContact CD1-CB 3.36Å; Y465-K483 HydrophobicContact CD2-CD 4.44Å; Y465-K483 HydrophobicContact CE1-CB 3.67Å; Y465-K483 HydrophobicContact CE1-CD 4.41Å; Y465-K483 HydrophobicContact CE2-CD 4.36Å; Y465-K483 HydrophobicContact CG-CB 3.86Å; N468-K483 WeakPolarHBondContact OD1-CG 3.37Å; L481-K483 PolarHBondContact O-N 3.39Å; K483-P485 WeakPolarHBondContact O-CD 3.18Å
484	V	95.8	Very high	95.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	110.4	-177	-169	0	0	0	0	110.5	Y465 W466 C467 I469 F482 V491	Y465-V484 CarbonylContact C-O 3.54Å; Y465-V484 WeakPolarHBondContact CA-O 3.33Å; Y465-V484 WeakPolarHBondContact CB-O 3.31Å; W466-V484 HydrophobicContact CZ2-CG1 4.2Å; W466-V484 PolarHBondContact N-O 2.72Å; C467-V484 PolarHBondContact O-N 2.84Å; C467-V484 VanDerWaalsContact SG-CG2 3.55Å; I469-V484 HydrophobicContact CD1-CG2 3.98Å; I469-V484 HydrophobicContact CG1-CG2 4.26Å; F482-V484 HydrophobicContact CD1-CG2 3.9Å; F482-V484 HydrophobicContact CE1-CG2 3.96Å; V484-V491 HydrophobicContact CG1-CB 3.84Å; V484-V491 HydrophobicContact CG1-CG1 4.37Å; V484-V491 HydrophobicContact CG1-CG2 4.24Å; V484-V491 HydrophobicContact CG2-CB 4.09Å; V484-V491 HydrophobicContact CG2-CG1 4.16Å; V484-V491 HydrophobicContact CG2-CG2 3.87Å
485	P	95.1	Very high	95.2	Very high	16 Å²	16	58.8 Å²	58.8	10%	0.104	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	143.4	-177.4	-22.6	33.4	0	0	0	112.9	Y465 K483 Q487 Y488	Y465-P485 HydrophobicContact CD1-CB 4.39Å; Y465-P485 HydrophobicContact CD1-CG 4.16Å; Y465-P485 HydrophobicContact CE1-CB 4.46Å; Y465-P485 HydrophobicContact CE1-CG 4Å; K483-P485 WeakPolarHBondContact O-CD 3.18Å; P485-Q487 HydrophobicContact CB-CG 4.34Å; P485-Q487 VanDerWaalsContact CB-NE2 3.27Å; P485-Q487 PolarHBondContact O-N 3.08Å; P485-Q487 VanDerWaalsContact O-N 3.16Å; P485-Y488 HydrophobicContact CB-CD2 4.15Å; P485-Y488 HydrophobicContact CG-CD2 4.22Å; P485-Y488 HydrophobicContact CG-CE2 4.48Å; P485-Y488 PolarHBondContact O-N 3.13Å
486	S	93	Very high	95.2	Very high	46 Å²	46	58 Å²	58	32%	0.322	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.5	-176	-71.3	0	0	0	0	115	P463 E464 W466 Y488	P463-S486 WeakPolarHBondContact O-CB 3.28Å; P463-S486 PolarHBondContact O-OG 2.79Å; E464-S486 WeakPolarHBondContact O-CB 3.38Å; E464-S486 PolarHBondContact O-N 2.73Å; E464-S486 PolarHBondContact O-OG 3.28Å; W466-S486 PolarHBondContact N-OG 3.25Å; S486-Y488 PolarHBondContact O-N 2.8Å
487	Q	92.3	Very high	95.2	Very high	139 Å²	139	59.6 Å²	59.6	65%	0.65	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.5	169	66.3	-88	24.2	0	0	113.5	P485	P485-Q487 HydrophobicContact CB-CG 4.34Å; P485-Q487 VanDerWaalsContact CB-NE2 3.27Å; P485-Q487 PolarHBondContact O-N 3.08Å; P485-Q487 VanDerWaalsContact O-N 3.16Å
488	Y	93.6	Very high	95.1	Very high	84 Å²	84	57.1 Å²	57.1	33%	0.329	30%	0.295	S	S	.	.			trans	-103.3	92.5	175.9	-60.4	-67.7	0	0	0	110.5	W466 P485 S486 R490 P502 N503	W466-Y488 PolarHBondContact NE1-O 3.43Å; P485-Y488 HydrophobicContact CB-CD2 4.15Å; P485-Y488 HydrophobicContact CG-CD2 4.22Å; P485-Y488 HydrophobicContact CG-CE2 4.48Å; P485-Y488 PolarHBondContact O-N 3.13Å; S486-Y488 PolarHBondContact O-N 2.8Å; Y488-R490 PolarHBondContact O-N 2.73Å; Y488-R490 VanDerWaalsContact O-N 3.08Å; Y488-P502 HydrophobicContact CE2-CB 4.04Å; Y488-P502 HydrophobicContact CE2-CG 3.71Å; Y488-N503 HydrophobicContact CD1-CB 3.77Å; Y488-N503 HydrophobicContact CD2-CB 4.11Å; Y488-N503 HydrophobicContact CE1-CB 4.23Å; Y488-N503 HydrophobicContact CG-CB 3.7Å
489	S	94.1	Very high	94.8	Very high	66 Å²	66	62 Å²	62	46%	0.462	33%	0.327	S	S	.	.	S	Bend	trans	-55.9	-21.3	170.1	158.1	0	0	0	0	113	N534	S489-N534 WeakPolarHBondContact O-CB 3.36Å; S489-N534 PolarHBondContact O-N 3.42Å; S489-N534 PolarHBondContact OG-O 3.36Å
490	R	95.4	Very high	94.4	Very high	115 Å²	115	64.8 Å²	64.8	43%	0.434	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	136.1	-179.1	172.3	172.7	-69.5	144.7	6.9	111.8	Y488 E531 L532 D533	Y488-R490 PolarHBondContact O-N 2.73Å; Y488-R490 VanDerWaalsContact O-N 3.08Å; R490-E531 WeakPolarHBondContact CD-OE2 3.43Å; R490-E531 HydrophobicContact CG-CG 3.66Å; R490-E531 IonicContact CZ-OE1 3.7Å; R490-E531 IonicContact NE-OE1 3.72Å; R490-E531 PolarHBondContact NE-OE1 3Å; R490-E531 IonicContact NE-OE2 3.68Å; R490-E531 IonicContact NH2-OE1 2.59Å; R490-L532 WeakPolarHBondContact CA-O 3.41Å; R490-D533 WeakPolarHBondContact CB-OD1 3.31Å; R490-D533 WeakPolarHBondContact CG-OD1 3.32Å; R490-D533 IonicContact CZ-OD1 3.09Å; R490-D533 VanDerWaalsContact CZ-OD1 3.31Å; R490-D533 IonicContact CZ-OD2 2.8Å; R490-D533 IonicContact NE-OD1 3.82Å; R490-D533 PolarHBondContact NE-OD1 2.92Å; R490-D533 IonicContact NE-OD2 3.31Å; R490-D533 VanDerWaalsContact NH2-CG 3.3Å; R490-D533 IonicContact NH2-OD1 2.7Å; R490-D533 PolarHBondContact NH2-OD1 3.07Å; R490-D533 VanDerWaalsContact NH2-OD1 3.09Å; R490-D533 IonicContact NH2-OD2 3.75Å; R490-D533 PolarHBondContact NH2-OD2 3.3Å
491	V	96.9	Very high	94.2	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	137.4	166.3	62.8	0	0	0	0	111.3	W466 I469 F482 V484 N503 E531 L532	W466-V491 HydrophobicContact CH2-CG1 4.1Å; W466-V491 HydrophobicContact CZ2-CB 4.43Å; W466-V491 HydrophobicContact CZ2-CG1 3.7Å; I469-V491 HydrophobicContact CD1-CG1 4.08Å; I469-V491 HydrophobicContact CD1-CG2 4.24Å; F482-V491 HydrophobicContact CE1-CG2 3.99Å; V484-V491 HydrophobicContact CG1-CB 3.84Å; V484-V491 HydrophobicContact CG1-CG1 4.37Å; V484-V491 HydrophobicContact CG1-CG2 4.24Å; V484-V491 HydrophobicContact CG2-CB 4.09Å; V484-V491 HydrophobicContact CG2-CG1 4.16Å; V484-V491 HydrophobicContact CG2-CG2 3.87Å; V491-N503 VanDerWaalsContact CA-O 3.32Å; V491-N503 WeakPolarHBondContact CA-O 3.38Å; V491-E531 CarbonylContact O-C 3.6Å; V491-E531 WeakPolarHBondContact O-CA 3.24Å; V491-L532 HydrophobicContact CG1-CB 3.78Å; V491-L532 HydrophobicContact CG1-CD1 4.07Å; V491-L532 HydrophobicContact CG1-CG 4.34Å; V491-L532 PolarHBondContact N-O 3.46Å; V491-L532 PolarHBondContact O-N 3.3Å
492	T	97.2	Very high	94	Very high	29 Å²	29	57.8 Å²	57.8	18%	0.178	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.8	170.5	-55.9	0	0	0	0	109.7	D494 N503 R504 F505 V530	T492-D494 HydrophobicContact CG2-CB 4.22Å; T492-N503 PolarHBondContact N-O 2.9Å; T492-R504 CarbonylContact O-C 3.51Å; T492-R504 VanDerWaalsContact O-CA 3.28Å; T492-R504 WeakPolarHBondContact O-CA 3.05Å; T492-F505 PolarHBondContact O-N 3.4Å; T492-V530 CarbonylContact C-O 3.59Å; T492-V530 WeakPolarHBondContact CA-O 3.45Å
493	V	97.5	Very high	93.8	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	114.5	172.4	-173.8	0	0	0	0	108	I469 F505 L507 G529 V530 F668 I688	I469-V493 HydrophobicContact CD1-CG2 3.73Å; V493-F505 WeakPolarHBondContact CA-O 3.46Å; V493-F505 HydrophobicContact CG1-CB 4.37Å; V493-F505 HydrophobicContact CG1-CD1 4.03Å; V493-F505 HydrophobicContact CG2-CB 4.27Å; V493-L507 HydrophobicContact CG1-CD1 3.86Å; V493-L507 HydrophobicContact CG1-CD2 4.19Å; V493-L507 HydrophobicContact CG1-CG 3.99Å; V493-G529 CarbonylContact O-C 3.47Å; V493-G529 VanDerWaalsContact O-CA 3.32Å; V493-G529 WeakPolarHBondContact O-CA 3.35Å; V493-V530 HydrophobicContact CB-CG2 4.19Å; V493-V530 PolarHBondContact N-O 2.96Å; V493-V530 PolarHBondContact O-N 3.15Å; V493-F668 HydrophobicContact CG1-CZ 4.03Å; V493-I688 HydrophobicContact CG1-CD1 4.29Å; V493-I688 HydrophobicContact CG2-CD1 4.43Å
494	D	97.1	Very high	93.8	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.027	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	174.5	-168.2	73.2	39.7	0	0	0	114.2	T492 Y496 R504 F505 L507	T492-D494 HydrophobicContact CG2-CB 4.22Å; D494-Y496 HydrophobicContact CB-CD2 4.07Å; D494-Y496 WeakPolarHBondContact OD1-CB 3.25Å; D494-Y496 WeakPolarHBondContact OD1-CD2 3.41Å; D494-Y496 PolarHBondContact OD1-N 2.85Å; D494-R504 IonicContact OD1-NH2 3.34Å; D494-R504 IonicContact OD2-CZ 3.43Å; D494-R504 IonicContact OD2-NE 3.65Å; D494-R504 PolarHBondContact OD2-NE 2.7Å; D494-R504 IonicContact OD2-NH2 2.9Å; D494-R504 PolarHBondContact OD2-NH2 2.94Å; D494-F505 PolarHBondContact N-O 3.45Å; D494-L507 VanDerWaalsContact O-CB 3.31Å; D494-L507 WeakPolarHBondContact O-CB 3.16Å; D494-L507 WeakPolarHBondContact O-CG 3.33Å; D494-L507 PolarHBondContact O-N 3.31Å
495	G	95.8	Very high	93.9	Very high	23 Å²	23	57.7 Å²	57.7	24%	0.237	32%	0.315	C	S	.	.	S	Bend	trans	-91	8.4	-177.7	0	0	0	0	0	115	G508 G527	G495-G508 WeakPolarHBondContact O-CA 3.46Å; G495-G527 PolarHBondContact N-O 2.88Å
496	Y	96.3	Very high	93.9	Very high	112 Å²	112	57 Å²	57	44%	0.439	31%	0.311	S	S	.	.	S	Bend	trans	-84.1	-168.2	179.9	-62.9	-86	0	0	0	111.2	D494 R504 C506 G508 K528	D494-Y496 HydrophobicContact CB-CD2 4.07Å; D494-Y496 WeakPolarHBondContact OD1-CB 3.25Å; D494-Y496 WeakPolarHBondContact OD1-CD2 3.41Å; D494-Y496 PolarHBondContact OD1-N 2.85Å; Y496-R504 VanDerWaalsContact CB-NH2 3.34Å; Y496-R504 VanDerWaalsContact CD2-NH2 3.3Å; Y496-C506 WeakPolarHBondContact O-CB 3.4Å; Y496-G508 WeakPolarHBondContact O-CA 3.39Å; Y496-G508 PolarHBondContact O-N 3.37Å; Y496-K528 HydrophobicContact CE2-CG 4.27Å
497	T	94.9	Very high	94.1	Very high	97 Å²	97	54.9 Å²	54.9	60%	0.595	30%	0.296	S	S	*	.			trans	-129.8	18.3	-162.9	59.7	0	0	0	0	115	P499 Q509	T497-P499 WeakPolarHBondContact O-CD 2.97Å; T497-Q509 HydrophobicContact CG2-CB 4.46Å
498	D	93.4	Very high	94.2	Very high	43 Å²	43	49.5 Å²	49.5	23%	0.23	28%	0.278	C	S	.	.			trans	-85.7	114.2	178.1	169.2	32.9	0	0	0	111.5	S500 S501 R504 C506	D498-S500 VanDerWaalsContact OD1-CB 3.27Å; D498-S500 WeakPolarHBondContact OD1-CB 3.25Å; D498-S500 PolarHBondContact OD1-N 3.34Å; D498-S500 PolarHBondContact OD1-OG 2.92Å; D498-S501 WeakPolarHBondContact OD2-CB 3.27Å; D498-S501 PolarHBondContact OD2-OG 3.49Å; D498-R504 IonicContact OD2-NH1 3.82Å; D498-C506 PolarHBondContact N-SG 3.43Å; D498-C506 VanDerWaalsContact N-SG 3.42Å; D498-C506 WeakPolarHBondContact O-CB 3.42Å; D498-C506 PolarHBondContact O-SG 2.88Å
499	P	89.8	Confident	94.1	Very high	107 Å²	107	49.5 Å²	49.5	70%	0.695	28%	0.281	S	S	*	.			trans	-84.4	-8.7	179.3	36.5	-36.6	0	0	0	113.6	T497	T497-P499 WeakPolarHBondContact O-CD 2.97Å
500	S	85.3	Confident	94.2	Very high	96 Å²	96	47.1 Å²	47.1	67%	0.671	26%	0.263	S	S	*	.			trans	-87.3	-15	-160.7	-26.8	0	0	0	0	114.2	D498 P502	D498-S500 VanDerWaalsContact OD1-CB 3.27Å; D498-S500 WeakPolarHBondContact OD1-CB 3.25Å; D498-S500 PolarHBondContact OD1-N 3.34Å; D498-S500 PolarHBondContact OD1-OG 2.92Å; S500-P502 WeakPolarHBondContact O-CD 3.43Å
501	S	88.2	Confident	94.1	Very high	32 Å²	32	46.8 Å²	46.8	22%	0.224	28%	0.278	C	S	.	.			trans	-97.9	111.4	-163.4	-71.4	0	0	0	0	112.7	D498 N503 R504	D498-S501 WeakPolarHBondContact OD2-CB 3.27Å; D498-S501 PolarHBondContact OD2-OG 3.49Å; S501-N503 PolarHBondContact O-N 2.82Å; S501-N503 VanDerWaalsContact O-N 3.16Å; S501-R504 PolarHBondContact O-N 2.88Å; S501-R504 VanDerWaalsContact O-N 3.07Å; S501-R504 VanDerWaalsContact O-O 3.08Å
502	P	90	Very high	93.9	Very high	60 Å²	60	47.9 Å²	47.9	39%	0.39	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-14.1	-176.7	29.3	-36.8	0	0	0	114.2	F482 Y488 S500	F482-P502 WeakPolarHBondContact CZ-O 3.43Å; Y488-P502 HydrophobicContact CE2-CB 4.04Å; Y488-P502 HydrophobicContact CE2-CG 3.71Å; S500-P502 WeakPolarHBondContact O-CD 3.43Å
503	N	92.9	Very high	93.8	Very high	61 Å²	61	52.8 Å²	52.8	33%	0.326	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	11.3	175.3	69.4	-28.6	0	0	0	113	Y488 V491 T492 S501	Y488-N503 HydrophobicContact CD1-CB 3.77Å; Y488-N503 HydrophobicContact CD2-CB 4.11Å; Y488-N503 HydrophobicContact CE1-CB 4.23Å; Y488-N503 HydrophobicContact CG-CB 3.7Å; V491-N503 VanDerWaalsContact CA-O 3.32Å; V491-N503 WeakPolarHBondContact CA-O 3.38Å; T492-N503 PolarHBondContact N-O 2.9Å; S501-N503 PolarHBondContact O-N 2.82Å; S501-N503 VanDerWaalsContact O-N 3.16Å
504	R	96	Very high	93.6	Very high	68 Å²	68	59.1 Å²	59.1	26%	0.257	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	108.1	-176.9	-179.1	-172.7	-177	-143.2	-1.2	111.9	T492 D494 Y496 D498 S501 C506	T492-R504 CarbonylContact O-C 3.51Å; T492-R504 VanDerWaalsContact O-CA 3.28Å; T492-R504 WeakPolarHBondContact O-CA 3.05Å; D494-R504 IonicContact OD1-NH2 3.34Å; D494-R504 IonicContact OD2-CZ 3.43Å; D494-R504 IonicContact OD2-NE 3.65Å; D494-R504 PolarHBondContact OD2-NE 2.7Å; D494-R504 IonicContact OD2-NH2 2.9Å; D494-R504 PolarHBondContact OD2-NH2 2.94Å; Y496-R504 VanDerWaalsContact CB-NH2 3.34Å; Y496-R504 VanDerWaalsContact CD2-NH2 3.3Å; D498-R504 IonicContact OD2-NH1 3.82Å; S501-R504 PolarHBondContact O-N 2.88Å; S501-R504 VanDerWaalsContact O-N 3.07Å; S501-R504 VanDerWaalsContact O-O 3.08Å; R504-C506 PolarHBondContact O-N 3.01Å
505	F	96.3	Very high	93.4	Very high	12 Å²	12	62.3 Å²	62.3	5%	0.053	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	97.6	179	-171.9	-156.6	0	0	0	111.1	I469 F482 T492 V493 D494 L507 L510	I469-F505 HydrophobicContact CB-CD1 4.28Å; I469-F505 HydrophobicContact CB-CE1 4.45Å; I469-F505 HydrophobicContact CG2-CD1 3.96Å; I469-F505 HydrophobicContact CG2-CE1 4.07Å; F482-F505 HydrophobicContact CB-CB 4.42Å; F482-F505 HydrophobicContact CB-CD1 3.77Å; F482-F505 HydrophobicContact CB-CD2 3.84Å; F482-F505 HydrophobicContact CB-CE1 3.86Å; F482-F505 HydrophobicContact CB-CE2 3.94Å; F482-F505 HydrophobicContact CB-CG 3.76Å; F482-F505 HydrophobicContact CB-CZ 3.94Å; F482-F505 HydrophobicContact CD1-CB 3.77Å; F482-F505 HydrophobicContact CD1-CD1 4.46Å; F482-F505 HydrophobicContact CD1-CG 4.07Å; F482-F505 HydrophobicContact CD2-CB 3.91Å; F482-F505 AromaticContact CD2-CD2 3.48Å; F482-F505 HydrophobicContact CD2-CD2 3.48Å; F482-F505 VanDerWaalsContact CD2-CD2 3.48Å; F482-F505 HydrophobicContact CD2-CE2 4.14Å; F482-F505 AromaticContact CD2-CG 3.78Å; F482-F505 HydrophobicContact CD2-CG 3.78Å; F482-F505 HydrophobicContact CE1-CB 3.91Å; F482-F505 HydrophobicContact CE2-CB 4.05Å; F482-F505 HydrophobicContact CE2-CD2 4.16Å; F482-F505 HydrophobicContact CE2-CG 4.38Å; F482-F505 HydrophobicContact CG-CB 3.76Å; F482-F505 HydrophobicContact CG-CD1 4.06Å; F482-F505 AromaticContact CG-CD2 3.73Å; F482-F505 HydrophobicContact CG-CD2 3.73Å; F482-F505 HydrophobicContact CG-CE2 4.31Å; F482-F505 AromaticContact CG-CG 3.6Å; F482-F505 HydrophobicContact CG-CG 3.6Å; F482-F505 HydrophobicContact CZ-CB 4.05Å; T492-F505 PolarHBondContact O-N 3.4Å; V493-F505 WeakPolarHBondContact CA-O 3.46Å; V493-F505 HydrophobicContact CG1-CB 4.37Å; V493-F505 HydrophobicContact CG1-CD1 4.03Å; V493-F505 HydrophobicContact CG2-CB 4.27Å; D494-F505 PolarHBondContact N-O 3.45Å; F505-L507 HydrophobicContact CD1-CD2 3.75Å; F505-L507 HydrophobicContact CD2-CD2 4.28Å; F505-L507 HydrophobicContact CE1-CD2 3.49Å; F505-L507 VanDerWaalsContact CE1-CD2 3.49Å; F505-L507 HydrophobicContact CE2-CD2 4.04Å; F505-L507 HydrophobicContact CG-CD2 4.14Å; F505-L507 HydrophobicContact CZ-CD2 3.65Å; F505-L507 PolarHBondContact O-N 3.44Å; F505-L510 HydrophobicContact CE2-CD1 4.2Å; F505-L510 HydrophobicContact CZ-CD1 4.16Å
506	C	96.2	Very high	93.3	Very high	2 Å²	2	63 Å²	63	1%	0.014	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	106.1	177.4	-69.6	0	0	0	0	111.2	Y496 D498 R504 Q509	Y496-C506 WeakPolarHBondContact O-CB 3.4Å; D498-C506 PolarHBondContact N-SG 3.43Å; D498-C506 VanDerWaalsContact N-SG 3.42Å; D498-C506 WeakPolarHBondContact O-CB 3.42Å; D498-C506 PolarHBondContact O-SG 2.88Å; R504-C506 PolarHBondContact O-N 3.01Å; C506-Q509 PolarHBondContact O-NE2 3.11Å
507	L	96.2	Very high	93.2	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.005	37%	0.371	C	S	.	.			trans	-76.5	-22	-177.4	-57.6	179.2	0	0	0	113.5	Y471 V493 D494 F505 Q509 L510 R523 I526 F668	Y471-L507 HydrophobicContact CD1-CD2 4.22Å; Y471-L507 HydrophobicContact CD2-CD1 3.81Å; Y471-L507 HydrophobicContact CD2-CD2 3.85Å; Y471-L507 HydrophobicContact CD2-CG 4.39Å; Y471-L507 HydrophobicContact CE2-CD1 3.84Å; Y471-L507 HydrophobicContact CE2-CD2 4.47Å; Y471-L507 HydrophobicContact CG-CD2 3.71Å; V493-L507 HydrophobicContact CG1-CD1 3.86Å; V493-L507 HydrophobicContact CG1-CD2 4.19Å; V493-L507 HydrophobicContact CG1-CG 3.99Å; D494-L507 VanDerWaalsContact O-CB 3.31Å; D494-L507 WeakPolarHBondContact O-CB 3.16Å; D494-L507 WeakPolarHBondContact O-CG 3.33Å; D494-L507 PolarHBondContact O-N 3.31Å; F505-L507 HydrophobicContact CD1-CD2 3.75Å; F505-L507 HydrophobicContact CD2-CD2 4.28Å; F505-L507 HydrophobicContact CE1-CD2 3.49Å; F505-L507 VanDerWaalsContact CE1-CD2 3.49Å; F505-L507 HydrophobicContact CE2-CD2 4.04Å; F505-L507 HydrophobicContact CG-CD2 4.14Å; F505-L507 HydrophobicContact CZ-CD2 3.65Å; F505-L507 PolarHBondContact O-N 3.44Å; L507-Q509 PolarHBondContact O-N 3.43Å; L507-L510 HydrophobicContact CD2-CD1 4Å; L507-L510 WeakPolarHBondContact O-CB 3.21Å; L507-L510 PolarHBondContact O-N 2.68Å; L507-R523 PolarHBondContact O-NH1 3.31Å; L507-R523 VanDerWaalsContact O-NH1 3.14Å; L507-R523 PolarHBondContact O-NH2 3.26Å; L507-I526 HydrophobicContact CD1-CD1 4.16Å; L507-F668 HydrophobicContact CD1-CE2 3.8Å; L507-F668 HydrophobicContact CD1-CZ 4.21Å
508	G	94.6	Very high	93.2	Very high	27 Å²	27	65 Å²	65	28%	0.278	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-33.1	-169.1	0	0	0	0	0	114.5	G495 Y496 R523	G495-G508 WeakPolarHBondContact O-CA 3.46Å; Y496-G508 WeakPolarHBondContact O-CA 3.39Å; Y496-G508 PolarHBondContact O-N 3.37Å; G508-R523 VanDerWaalsContact C-NH2 3.26Å; G508-R523 PolarHBondContact O-NH2 2.79Å
509	Q	93	Very high	93.2	Very high	84 Å²	84	63 Å²	63	39%	0.393	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-21.5	177.5	51.6	67.5	25.9	0	0	114.1	T497 C506 L507 S511	T497-Q509 HydrophobicContact CG2-CB 4.46Å; C506-Q509 PolarHBondContact O-NE2 3.11Å; L507-Q509 PolarHBondContact O-N 3.43Å; Q509-S511 PolarHBondContact O-N 3.16Å
510	L	94.5	Very high	93.5	Very high	16 Å²	16	63.5 Å²	63.5	8%	0.084	35%	0.345	C	S	.	.			trans	-61.9	132.1	-171.9	-64.1	173.2	0	0	0	110.8	Y471 V478 F505 L507 R515 R523	Y471-L510 HydrophobicContact CD1-CD1 3.48Å; Y471-L510 VanDerWaalsContact CD1-CD1 3.48Å; Y471-L510 HydrophobicContact CE1-CD1 4.11Å; Y471-L510 HydrophobicContact CG-CD1 4.19Å; V478-L510 HydrophobicContact CG1-CB 3.99Å; F505-L510 HydrophobicContact CE2-CD1 4.2Å; F505-L510 HydrophobicContact CZ-CD1 4.16Å; L507-L510 HydrophobicContact CD2-CD1 4Å; L507-L510 WeakPolarHBondContact O-CB 3.21Å; L507-L510 PolarHBondContact O-N 2.68Å; L510-R515 PolarHBondContact O-NH1 3.12Å; L510-R515 PolarHBondContact O-NH2 3.26Å; L510-R523 PolarHBondContact O-NH2 3.34Å
511	S	93.9	Very high	93.9	Very high	107 Å²	107	64.2 Å²	64.2	75%	0.748	34%	0.336	S	S	*	.			trans	-94.1	146.8	175.2	62	0	0	0	0	111.2	Q509	Q509-S511 PolarHBondContact O-N 3.16Å
512	N	93.5	Very high	94.2	Very high	23 Å²	23	62.8 Å²	62.8	12%	0.123	33%	0.326	C	S	.	.			trans	-147.9	121.4	173	176.8	16.3	0	0	0	109.2	E473 Q476 V478 H514 R515	E473-N512 PolarHBondContact OE2-ND2 3.4Å; Q476-N512 PolarHBondContact NE2-OD1 2.74Å; Q476-N512 PolarHBondContact OE1-OD1 2.71Å; V478-N512 HydrophobicContact CG1-CB 3.95Å; V478-N512 HydrophobicContact CG2-CB 3.82Å; V478-N512 WeakPolarHBondContact CG2-ND2 3.32Å; N512-H514 PolarHBondContact O-N 2.73Å; N512-H514 PolarHBondContact OD1-N 2.75Å; N512-R515 HydrophobicContact CB-CB 4.16Å; N512-R515 PolarHBondContact ND2-N 2.79Å; N512-R515 WeakPolarHBondContact O-CB 3.29Å; N512-R515 PolarHBondContact O-N 2.84Å
513	V	94.6	Very high	94.5	Very high	132 Å²	132	61.2 Å²	61.2	80%	0.8	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-14.8	179.6	-63.7	0	0	0	0	113.7
514	H	92.5	Very high	94.6	Very high	134 Å²	134	64.6 Å²	64.6	62%	0.62	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	17.9	175.9	-55.4	-44	0	0	0	112.3	Q476 N512 S516	Q476-H514 PolarHBondContact OE1-CD2 3.09Å; N512-H514 PolarHBondContact O-N 2.73Å; N512-H514 PolarHBondContact OD1-N 2.75Å; H514-S516 PolarHBondContact O-N 2.96Å
515	R	94.1	Very high	94.6	Very high	71 Å²	71	66 Å²	66	27%	0.268	34%	0.336	S	S	.	.			trans	-59.6	122.3	177	-177.7	164.2	-68.7	149.3	3.4	110.5	E473 L510 N512 E520 R523	E473-R515 IonicContact OE1-CZ 3.78Å; E473-R515 VanDerWaalsContact OE1-CZ 3.25Å; E473-R515 IonicContact OE1-NE 2.75Å; E473-R515 PolarHBondContact OE1-NE 2.87Å; E473-R515 IonicContact OE1-NH2 2.73Å; E473-R515 PolarHBondContact OE1-NH2 3.04Å; E473-R515 IonicContact OE2-CZ 3.19Å; E473-R515 IonicContact OE2-NE 3.81Å; E473-R515 PolarHBondContact OE2-NE 2.9Å; E473-R515 IonicContact OE2-NH2 2.71Å; L510-R515 PolarHBondContact O-NH1 3.12Å; L510-R515 PolarHBondContact O-NH2 3.26Å; N512-R515 HydrophobicContact CB-CB 4.16Å; N512-R515 PolarHBondContact ND2-N 2.79Å; N512-R515 WeakPolarHBondContact O-CB 3.29Å; N512-R515 PolarHBondContact O-N 2.84Å; R515-E520 HydrophobicContact CG-CB 4.44Å; R515-R523 VanDerWaalsContact NH2-CZ 3.28Å
516	S	94	Very high	94.7	Very high	38 Å²	38	65.4 Å²	65.4	27%	0.266	33%	0.333	S	S	.	.			trans	-82.5	155.8	173.1	75.4	0	0	0	0	111.6	H514 Q518 S519 E520	H514-S516 PolarHBondContact O-N 2.96Å; S516-Q518 PolarHBondContact O-N 3.05Å; S516-Q518 PolarHBondContact OG-N 3.33Å; S516-S519 WeakPolarHBondContact O-CA 3.46Å; S516-S519 WeakPolarHBondContact O-CB 3.38Å; S516-S519 PolarHBondContact O-N 3.4Å; S516-S519 PolarHBondContact OG-N 2.78Å; S516-S519 PolarHBondContact OG-OG 3.19Å; S516-E520 PolarHBondContact O-N 2.71Å
517	E	94.3	Very high	94.6	Very high	159 Å²	159	66.8 Å²	66.8	74%	0.743	35%	0.347	S	S	*	.	H	α-helix	trans	-54.5	-36.2	170.6	-171.5	-166.7	162.4	0	0	111.5	S519 E520 K521	E517-S519 VanDerWaalsContact C-N 3.35Å; E517-S519 PolarHBondContact O-N 3.34Å; E517-E520 PolarHBondContact O-N 3.38Å; E517-K521 VanDerWaalsContact O-CB 3.24Å; E517-K521 WeakPolarHBondContact O-CB 3.39Å; E517-K521 PolarHBondContact O-N 3.33Å
518	Q	92.9	Very high	94.6	Very high	92 Å²	92	72.3 Å²	72.3	43%	0.43	37%	0.372	S	S	.	.	H	α-helix	trans	-68.8	-32.3	176.4	-177.2	53.4	83.7	0	0	112.3	S516 S522 P685	S516-Q518 PolarHBondContact O-N 3.05Å; S516-Q518 PolarHBondContact OG-N 3.33Å; Q518-S522 WeakPolarHBondContact O-CB 3.48Å; Q518-S522 PolarHBondContact O-N 2.9Å; Q518-S522 VanDerWaalsContact O-N 3.15Å; Q518-P685 HydrophobicContact CG-CB 4.32Å; Q518-P685 HydrophobicContact CG-CG 4.48Å
519	S	94.8	Very high	94.7	Very high	1 Å²	1	71 Å²	71	1%	0.007	36%	0.358	C	S	.	.	H	α-helix	trans	-69.9	-48.6	171.7	-62.1	0	0	0	0	111.2	S516 E517 K521 S522 R523 P685	S516-S519 WeakPolarHBondContact O-CA 3.46Å; S516-S519 WeakPolarHBondContact O-CB 3.38Å; S516-S519 PolarHBondContact O-N 3.4Å; S516-S519 PolarHBondContact OG-N 2.78Å; S516-S519 PolarHBondContact OG-OG 3.19Å; E517-S519 VanDerWaalsContact C-N 3.35Å; E517-S519 PolarHBondContact O-N 3.34Å; S519-K521 PolarHBondContact O-N 3.43Å; S519-S522 PolarHBondContact O-N 3.42Å; S519-S522 VanDerWaalsContact O-N 3.13Å; S519-R523 VanDerWaalsContact O-CG 3.3Å; S519-R523 WeakPolarHBondContact O-CG 3.44Å; S519-R523 PolarHBondContact O-N 3.32Å; S519-P685 PolarHBondContact OG-O 3.48Å; S519-P685 VanDerWaalsContact OG-O 3.1Å
520	E	94.8	Very high	94.9	Very high	118 Å²	118	67 Å²	67	55%	0.551	34%	0.34	S	S	*	.	H	α-helix	trans	-56.3	-50.1	175.7	-176.3	169.1	-153.1	0	0	112.1	R515 S516 E517 S522 R523 L524	R515-E520 HydrophobicContact CG-CB 4.44Å; S516-E520 PolarHBondContact O-N 2.71Å; E517-E520 PolarHBondContact O-N 3.38Å; E520-S522 VanDerWaalsContact C-N 3.27Å; E520-S522 PolarHBondContact O-N 3.33Å; E520-R523 WeakPolarHBondContact O-CB 3.41Å; E520-R523 PolarHBondContact O-N 3.39Å; E520-R523 VanDerWaalsContact O-N 3.12Å; E520-L524 PolarHBondContact O-N 2.89Å
521	K	94.5	Very high	95.1	Very high	111 Å²	111	67.3 Å²	67.3	48%	0.483	34%	0.34	S	S	.	.	H	α-helix	trans	-59.4	-35.2	176.2	-173.8	169.5	-172.7	168.2	0	113	E517 S519 Y525	E517-K521 VanDerWaalsContact O-CB 3.24Å; E517-K521 WeakPolarHBondContact O-CB 3.39Å; E517-K521 PolarHBondContact O-N 3.33Å; S519-K521 PolarHBondContact O-N 3.43Å; K521-Y525 HydrophobicContact CG-CE2 4.12Å; K521-Y525 WeakPolarHBondContact O-CD2 3.29Å; K521-Y525 VanDerWaalsContact O-CE2 3.32Å; K521-Y525 WeakPolarHBondContact O-CE2 3.43Å
522	S	95	Very high	95.3	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.007	31%	0.305	C	S	.	.	H	α-helix	trans	-75	-34.5	175.7	-95.4	0	0	0	0	113.2	Q518 S519 E520 L524 Y525 I526 P685	Q518-S522 WeakPolarHBondContact O-CB 3.48Å; Q518-S522 PolarHBondContact O-N 2.9Å; Q518-S522 VanDerWaalsContact O-N 3.15Å; S519-S522 PolarHBondContact O-N 3.42Å; S519-S522 VanDerWaalsContact O-N 3.13Å; E520-S522 VanDerWaalsContact C-N 3.27Å; E520-S522 PolarHBondContact O-N 3.33Å; S522-L524 VanDerWaalsContact C-N 3.3Å; S522-L524 PolarHBondContact O-N 3.28Å; S522-Y525 PolarHBondContact O-N 3.34Å; S522-Y525 VanDerWaalsContact O-N 3.11Å; S522-I526 PolarHBondContact O-N 3.13Å; S522-P685 WeakPolarHBondContact OG-CG 3.3Å
523	R	96.2	Very high	95.4	Very high	27 Å²	27	61.5 Å²	61.5	10%	0.102	30%	0.301	C	S	.	.	H	α-helix	trans	-59.6	-39.9	177.1	-72.2	165	63.6	79.6	3.7	112	Y471 E473 L507 G508 L510 R515 S519 E520 Y525 I526 C686	Y471-R523 PolarHBondContact OH-NH1 3.29Å; E473-R523 WeakPolarHBondContact OE1-CD 3.49Å; E473-R523 IonicContact OE1-CZ 3.21Å; E473-R523 IonicContact OE1-NE 3.09Å; E473-R523 IonicContact OE1-NH1 2.84Å; E473-R523 PolarHBondContact OE1-NH1 2.84Å; E473-R523 VanDerWaalsContact OE1-NH1 3.1Å; L507-R523 PolarHBondContact O-NH1 3.31Å; L507-R523 VanDerWaalsContact O-NH1 3.14Å; L507-R523 PolarHBondContact O-NH2 3.26Å; G508-R523 VanDerWaalsContact C-NH2 3.26Å; G508-R523 PolarHBondContact O-NH2 2.79Å; L510-R523 PolarHBondContact O-NH2 3.34Å; R515-R523 VanDerWaalsContact NH2-CZ 3.28Å; S519-R523 VanDerWaalsContact O-CG 3.3Å; S519-R523 WeakPolarHBondContact O-CG 3.44Å; S519-R523 PolarHBondContact O-N 3.32Å; E520-R523 WeakPolarHBondContact O-CB 3.41Å; E520-R523 PolarHBondContact O-N 3.39Å; E520-R523 VanDerWaalsContact O-N 3.12Å; R523-Y525 PolarHBondContact O-N 2.89Å; R523-I526 HydrophobicContact CG-CD1 4.39Å; R523-I526 WeakPolarHBondContact O-CB 3.25Å; R523-I526 PolarHBondContact O-N 3.41Å; R523-I526 VanDerWaalsContact O-N 3.12Å; R523-C686 VanDerWaalsContact CG-SG 3.56Å
524	L	95.3	Very high	95.4	Very high	132 Å²	132	56.6 Å²	56.6	69%	0.691	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-33.6	175.1	-64	174.6	0	0	0	113.3	E520 S522	E520-L524 PolarHBondContact O-N 2.89Å; S522-L524 VanDerWaalsContact C-N 3.3Å; S522-L524 PolarHBondContact O-N 3.28Å
525	Y	96.2	Very high	95.5	Very high	97 Å²	97	53.2 Å²	53.2	38%	0.38	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-0.6	-177.5	-62.6	-60.5	0	0	0	114.2	K521 S522 R523 S546 F548 V669	K521-Y525 HydrophobicContact CG-CE2 4.12Å; K521-Y525 WeakPolarHBondContact O-CD2 3.29Å; K521-Y525 VanDerWaalsContact O-CE2 3.32Å; K521-Y525 WeakPolarHBondContact O-CE2 3.43Å; S522-Y525 PolarHBondContact O-N 3.34Å; S522-Y525 VanDerWaalsContact O-N 3.11Å; R523-Y525 PolarHBondContact O-N 2.89Å; Y525-S546 PolarHBondContact O-OG 3.43Å; Y525-F548 HydrophobicContact CD1-CD2 4.3Å; Y525-F548 HydrophobicContact CD1-CE1 4.36Å; Y525-F548 AromaticContact CD1-CE2 3.41Å; Y525-F548 HydrophobicContact CD1-CE2 3.41Å; Y525-F548 VanDerWaalsContact CD1-CE2 3.41Å; Y525-F548 AromaticContact CD1-CZ 3.44Å; Y525-F548 HydrophobicContact CD1-CZ 3.44Å; Y525-F548 VanDerWaalsContact CD1-CZ 3.44Å; Y525-F548 HydrophobicContact CE1-CE2 4.32Å; Y525-F548 AromaticContact CE1-CZ 3.97Å; Y525-F548 HydrophobicContact CE1-CZ 3.97Å; Y525-F548 HydrophobicContact CG-CD2 4.42Å; Y525-F548 AromaticContact CG-CE2 3.93Å; Y525-F548 HydrophobicContact CG-CE2 3.93Å; Y525-F548 HydrophobicContact CG-CZ 4.03Å; Y525-F548 WeakPolarHBondContact O-CD2 3.05Å; Y525-V669 HydrophobicContact CD2-CG1 4.46Å
526	I	96.8	Very high	95.2	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-47.8	172.8	-61.5	176	0	0	0	109.1	L507 S522 R523 K528 G529 S546 F668 C686	L507-I526 HydrophobicContact CD1-CD1 4.16Å; S522-I526 PolarHBondContact O-N 3.13Å; R523-I526 HydrophobicContact CG-CD1 4.39Å; R523-I526 WeakPolarHBondContact O-CB 3.25Å; R523-I526 PolarHBondContact O-N 3.41Å; R523-I526 VanDerWaalsContact O-N 3.12Å; I526-K528 PolarHBondContact O-N 3.42Å; I526-G529 WeakPolarHBondContact O-CA 3.2Å; I526-G529 PolarHBondContact O-N 3.18Å; I526-S546 WeakPolarHBondContact O-CB 3.37Å; I526-S546 PolarHBondContact O-OG 3.1Å; I526-F668 HydrophobicContact CD1-CD2 4.35Å; I526-F668 HydrophobicContact CD1-CG 4.4Å; I526-F668 HydrophobicContact CG1-CB 3.97Å; I526-F668 HydrophobicContact CG1-CD1 4.49Å; I526-F668 HydrophobicContact CG1-CG 4.13Å; I526-F668 HydrophobicContact CG2-CD1 4Å; I526-F668 HydrophobicContact CG2-CE1 4.11Å; I526-F668 HydrophobicContact CG2-CG 4.39Å; I526-C686 HydrophobicContact CD1-CB 4.38Å
527	G	94.9	Very high	94.8	Very high	30 Å²	30	53.8 Å²	53.8	31%	0.309	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	-122.4	179.8	0	0	0	0	0	111.5	G495 G529	G495-G527 PolarHBondContact N-O 2.88Å; G527-G529 PolarHBondContact O-N 2.99Å
528	K	96.4	Very high	94.7	Very high	118 Å²	118	46.5 Å²	46.5	51%	0.513	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-7.3	175.9	-59.7	171.5	-175.1	166	0	114.5	Y496 I526 V530 L545	Y496-K528 HydrophobicContact CE2-CG 4.27Å; I526-K528 PolarHBondContact O-N 3.42Å; K528-V530 PolarHBondContact O-N 2.72Å; K528-L545 HydrophobicContact CB-CB 3.8Å
529	G	96.8	Very high	94.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.236	C	C	.	.			trans	57.2	-125.3	173.8	0	0	0	0	0	114.3	V493 I526 G527 L545 S546	V493-G529 CarbonylContact O-C 3.47Å; V493-G529 VanDerWaalsContact O-CA 3.32Å; V493-G529 WeakPolarHBondContact O-CA 3.35Å; I526-G529 WeakPolarHBondContact O-CA 3.2Å; I526-G529 PolarHBondContact O-N 3.18Å; G527-G529 PolarHBondContact O-N 2.99Å; G529-L545 CarbonylContact O-C 3.47Å; G529-L545 PolarHBondContact O-N 3.32Å; G529-L545 VanDerWaalsContact O-N 3.07Å; G529-S546 WeakPolarHBondContact O-CB 3.19Å; G529-S546 PolarHBondContact O-N 3.15Å
530	V	97.9	Very high	94.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	155.2	-175.8	-63.3	0	0	0	0	112	T492 V493 K528 I542 R543 V550 L666 F668	T492-V530 CarbonylContact C-O 3.59Å; T492-V530 WeakPolarHBondContact CA-O 3.45Å; V493-V530 HydrophobicContact CB-CG2 4.19Å; V493-V530 PolarHBondContact N-O 2.96Å; V493-V530 PolarHBondContact O-N 3.15Å; K528-V530 PolarHBondContact O-N 2.72Å; V530-I542 HydrophobicContact CB-CD1 4.18Å; V530-I542 HydrophobicContact CB-CG1 4.2Å; V530-I542 HydrophobicContact CG1-CD1 4.09Å; V530-I542 HydrophobicContact CG1-CG1 4.42Å; V530-R543 WeakPolarHBondContact CA-O 3.29Å; V530-V550 HydrophobicContact CG1-CB 4.36Å; V530-V550 HydrophobicContact CG1-CG1 3.72Å; V530-V550 HydrophobicContact CG1-CG2 4.01Å; V530-L666 HydrophobicContact CG1-CD1 4.07Å; V530-L666 HydrophobicContact CG2-CD1 4.28Å; V530-F668 HydrophobicContact CG1-CE1 4.13Å; V530-F668 HydrophobicContact CG2-CE1 4.03Å; V530-F668 HydrophobicContact CG2-CZ 4.19Å
531	E	97.7	Very high	95	Very high	21 Å²	21	41.6 Å²	41.6	10%	0.098	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.3	170.3	-170.3	-177.9	94.2	0	0	108.9	R490 V491 I542 R543 L545	R490-E531 WeakPolarHBondContact CD-OE2 3.43Å; R490-E531 HydrophobicContact CG-CG 3.66Å; R490-E531 IonicContact CZ-OE1 3.7Å; R490-E531 IonicContact NE-OE1 3.72Å; R490-E531 PolarHBondContact NE-OE1 3Å; R490-E531 IonicContact NE-OE2 3.68Å; R490-E531 IonicContact NH2-OE1 2.59Å; V491-E531 CarbonylContact O-C 3.6Å; V491-E531 WeakPolarHBondContact O-CA 3.24Å; E531-I542 CarbonylContact O-C 2.98Å; E531-I542 WeakPolarHBondContact O-CA 3.37Å; E531-R543 HydrophobicContact CB-CB 4.17Å; E531-R543 PolarHBondContact N-O 3.23Å; E531-R543 PolarHBondContact O-N 3.26Å; E531-R543 IonicContact OE1-CZ 2.74Å; E531-R543 IonicContact OE1-NH1 3.71Å; E531-R543 PolarHBondContact OE1-NH1 3.1Å; E531-R543 IonicContact OE1-NH2 3.96Å; E531-L545 HydrophobicContact CB-CD1 3.96Å; E531-L545 HydrophobicContact CB-CG 4.37Å
532	L	97.6	Very high	95.2	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.9	175.9	-55.9	168.3	0	0	0	108.3	W466 I469 R490 V491 V540 W541 I542 I690	W466-L532 HydrophobicContact CH2-CB 4.03Å; I469-L532 HydrophobicContact CD1-CD1 4.22Å; R490-L532 WeakPolarHBondContact CA-O 3.41Å; V491-L532 HydrophobicContact CG1-CB 3.78Å; V491-L532 HydrophobicContact CG1-CD1 4.07Å; V491-L532 HydrophobicContact CG1-CG 4.34Å; V491-L532 PolarHBondContact N-O 3.46Å; V491-L532 PolarHBondContact O-N 3.3Å; L532-V540 HydrophobicContact CB-CG1 4.47Å; L532-V540 HydrophobicContact CD2-CG1 4.47Å; L532-W541 WeakPolarHBondContact CA-O 3.48Å; L532-I542 HydrophobicContact CD2-CB 4.15Å; L532-I542 HydrophobicContact CD2-CD1 4.09Å; L532-I542 HydrophobicContact CD2-CG1 3.87Å; L532-I690 HydrophobicContact CD1-CD1 3.6Å; L532-I690 HydrophobicContact CD1-CG1 4.22Å; L532-I690 HydrophobicContact CD2-CD1 4.34Å
533	D	96.6	Very high	95.3	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.037	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	115.7	178.7	-79.5	-15.7	0	0	0	109.1	R490 V535 W541 R543	R490-D533 WeakPolarHBondContact CB-OD1 3.31Å; R490-D533 WeakPolarHBondContact CG-OD1 3.32Å; R490-D533 IonicContact CZ-OD1 3.09Å; R490-D533 VanDerWaalsContact CZ-OD1 3.31Å; R490-D533 IonicContact CZ-OD2 2.8Å; R490-D533 IonicContact NE-OD1 3.82Å; R490-D533 PolarHBondContact NE-OD1 2.92Å; R490-D533 IonicContact NE-OD2 3.31Å; R490-D533 VanDerWaalsContact NH2-CG 3.3Å; R490-D533 IonicContact NH2-OD1 2.7Å; R490-D533 PolarHBondContact NH2-OD1 3.07Å; R490-D533 VanDerWaalsContact NH2-OD1 3.09Å; R490-D533 IonicContact NH2-OD2 3.75Å; R490-D533 PolarHBondContact NH2-OD2 3.3Å; D533-V535 HydrophobicContact CB-CG2 4.48Å; D533-W541 HydrophobicContact CB-CB 4.27Å; D533-W541 PolarHBondContact N-O 2.93Å; D533-W541 PolarHBondContact O-N 3Å; D533-R543 IonicContact OD2-CZ 3.33Å; D533-R543 IonicContact OD2-NH1 2.72Å; D533-R543 IonicContact OD2-NH2 3.83Å; D533-R543 PolarHBondContact OD2-NH2 2.9Å
534	N	95	Very high	95.4	Very high	28 Å²	28	38.2 Å²	38.2	15%	0.15	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.7	170.2	177.9	19.2	0	0	0	109.6	W466 S489 G538 D539	W466-N534 HydrophobicContact CD2-CB 3.81Å; W466-N534 HydrophobicContact CE3-CB 3.83Å; W466-N534 HydrophobicContact CG-CB 4.42Å; W466-N534 HydrophobicContact CH2-CB 4.1Å; W466-N534 HydrophobicContact CZ2-CB 4.06Å; W466-N534 HydrophobicContact CZ3-CB 3.98Å; S489-N534 WeakPolarHBondContact O-CB 3.36Å; S489-N534 PolarHBondContact O-N 3.42Å; S489-N534 PolarHBondContact OG-O 3.36Å; N534-G538 WeakPolarHBondContact OD1-CA 3.25Å; N534-D539 WeakPolarHBondContact CA-O 3.18Å
535	V	93.1	Very high	95.5	Very high	63 Å²	63	34.9 Å²	34.9	38%	0.382	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.7	-172.9	-177.8	0	0	0	0	110.2	D533 E537 D539 W541	D533-V535 HydrophobicContact CB-CG2 4.48Å; V535-E537 PolarHBondContact O-N 3Å; V535-D539 HydrophobicContact CB-CB 4.47Å; V535-D539 PolarHBondContact N-O 3.43Å; V535-D539 WeakPolarHBondContact O-CB 3.16Å; V535-D539 PolarHBondContact O-N 2.87Å; V535-W541 HydrophobicContact CG2-CG 4.49Å
536	G	89	Confident	95.5	Very high	78 Å²	78	30.5 Å²	30.5	80%	0.804	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	68	-129.6	178.1	0	0	0	0	0	112.4
537	E	85.4	Confident	95.5	Very high	44 Å²	44	38.2 Å²	38.2	21%	0.206	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-22.8	-178.4	-167.6	173.2	175	0	0	112.9	V456 L457 T458 V535 I583 R694	V456-E537 WeakPolarHBondContact CG1-OE1 3.42Å; L457-E537 PolarHBondContact N-OE1 3.39Å; L457-E537 PolarHBondContact N-OE2 3.23Å; T458-E537 PolarHBondContact N-OE1 3.48Å; V535-E537 PolarHBondContact O-N 3Å; E537-I583 HydrophobicContact CB-CD1 4.44Å; E537-I583 HydrophobicContact CB-CG2 4.45Å; E537-I583 HydrophobicContact CG-CD1 4.16Å; E537-R694 HydrophobicContact CG-CG 4.46Å; E537-R694 WeakPolarHBondContact O-CG 3.43Å; E537-R694 IonicContact OE1-CZ 3.18Å; E537-R694 IonicContact OE1-NE 2.71Å; E537-R694 PolarHBondContact OE1-NE 2.78Å; E537-R694 IonicContact OE1-NH2 2.78Å; E537-R694 PolarHBondContact OE1-NH2 2.81Å
538	G	90.7	Very high	95.6	Very high	5 Å²	5	40.5 Å²	40.5	5%	0.052	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	165.9	24.1	-178.2	0	0	0	0	0	115.3	N534 F581	N534-G538 WeakPolarHBondContact OD1-CA 3.25Å; G538-F581 WeakPolarHBondContact O-CD1 3.38Å
539	D	95.2	Very high	95.6	Very high	32 Å²	32	35.7 Å²	35.7	17%	0.171	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130.4	174.8	-76.1	-13.2	0	0	0	109.5	N534 V535 K579 D582 I583	N534-D539 WeakPolarHBondContact CA-O 3.18Å; V535-D539 HydrophobicContact CB-CB 4.47Å; V535-D539 PolarHBondContact N-O 3.43Å; V535-D539 WeakPolarHBondContact O-CB 3.16Å; V535-D539 PolarHBondContact O-N 2.87Å; D539-K579 VanDerWaalsContact CG-CE 3.4Å; D539-K579 IonicContact OD1-NZ 3.57Å; D539-K579 VanDerWaalsContact OD2-CE 3.32Å; D539-K579 WeakPolarHBondContact OD2-CE 3.48Å; D539-K579 IonicContact OD2-NZ 2.78Å; D539-K579 PolarHBondContact OD2-NZ 3.5Å; D539-D582 WeakPolarHBondContact OD1-CA 3.46Å; D539-I583 WeakPolarHBondContact OD1-CG2 3.18Å; D539-I583 PolarHBondContact OD1-N 3.3Å
540	V	97.2	Very high	95.6	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.1	-177.9	-170.3	0	0	0	0	110.5	W466 L532 V580 F581 L664 L692	W466-V540 HydrophobicContact CZ3-CG1 4.41Å; W466-V540 HydrophobicContact CZ3-CG2 4.12Å; L532-V540 HydrophobicContact CB-CG1 4.47Å; L532-V540 HydrophobicContact CD2-CG1 4.47Å; V540-V580 HydrophobicContact CB-CG2 4.14Å; V540-V580 HydrophobicContact CG1-CG2 4Å; V540-V580 VanDerWaalsContact O-CG2 3.27Å; V540-V580 WeakPolarHBondContact O-CG2 3.3Å; V540-V580 PolarHBondContact O-N 3.19Å; V540-F581 HydrophobicContact CB-CB 3.92Å; V540-F581 HydrophobicContact CG2-CB 4.19Å; V540-F581 HydrophobicContact CG2-CD1 4.34Å; V540-F581 PolarHBondContact N-O 3.04Å; V540-F581 VanDerWaalsContact N-O 3.17Å; V540-F581 PolarHBondContact O-N 3.49Å; V540-F581 VanDerWaalsContact O-N 3.15Å; V540-L664 HydrophobicContact CB-CD1 4.32Å; V540-L664 HydrophobicContact CG1-CD1 4.27Å; V540-L692 HydrophobicContact CG2-CD1 3.86Å; V540-L692 HydrophobicContact CG2-CD2 3.8Å
541	W	97.8	Very high	95.6	Very high	75 Å²	75	36.2 Å²	36.2	28%	0.284	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	145.7	171.8	-66.4	70.2	0	0	0	110.1	L532 D533 V535 Y577 I578 K579	L532-W541 WeakPolarHBondContact CA-O 3.48Å; D533-W541 HydrophobicContact CB-CB 4.27Å; D533-W541 PolarHBondContact N-O 2.93Å; D533-W541 PolarHBondContact O-N 3Å; V535-W541 HydrophobicContact CG2-CG 4.49Å; W541-Y577 HydrophobicContact CB-CD2 4.44Å; W541-Y577 HydrophobicContact CB-CE2 3.52Å; W541-Y577 WeakPolarHBondContact CB-OH 3.41Å; W541-Y577 HydrophobicContact CD2-CE1 4.12Å; W541-Y577 AromaticContact CD2-CZ 3.9Å; W541-Y577 AromaticContact CE3-CD1 3.95Å; W541-Y577 HydrophobicContact CE3-CD1 3.95Å; W541-Y577 AromaticContact CE3-CE1 3.51Å; W541-Y577 HydrophobicContact CE3-CE1 3.51Å; W541-Y577 HydrophobicContact CE3-CE2 4.24Å; W541-Y577 HydrophobicContact CE3-CG 4.48Å; W541-Y577 AromaticContact CE3-CZ 3.67Å; W541-Y577 HydrophobicContact CG-CE2 4.3Å; W541-Y577 AromaticContact CG-CZ 3.9Å; W541-Y577 HydrophobicContact CZ3-CD1 4.31Å; W541-Y577 HydrophobicContact CZ3-CE1 4.06Å; W541-I578 CarbonylContact C-O 3.53Å; W541-I578 WeakPolarHBondContact CA-O 3.02Å; W541-K579 HydrophobicContact CD2-CB 3.9Å; W541-K579 HydrophobicContact CD2-CG 4.4Å; W541-K579 HydrophobicContact CE3-CB 4.1Å; W541-K579 HydrophobicContact CH2-CB 4.04Å; W541-K579 HydrophobicContact CZ2-CB 3.85Å; W541-K579 HydrophobicContact CZ2-CD 4.21Å; W541-K579 HydrophobicContact CZ2-CG 4.25Å; W541-K579 HydrophobicContact CZ3-CB 4.16Å
542	I	97.8	Very high	95.6	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.015	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.9	173.1	-165.3	168.3	0	0	0	110.9	V530 E531 L532 V550 V552 I572 Y577 I578 V580 L666	V530-I542 HydrophobicContact CB-CD1 4.18Å; V530-I542 HydrophobicContact CB-CG1 4.2Å; V530-I542 HydrophobicContact CG1-CD1 4.09Å; V530-I542 HydrophobicContact CG1-CG1 4.42Å; E531-I542 CarbonylContact O-C 2.98Å; E531-I542 WeakPolarHBondContact O-CA 3.37Å; L532-I542 HydrophobicContact CD2-CB 4.15Å; L532-I542 HydrophobicContact CD2-CD1 4.09Å; L532-I542 HydrophobicContact CD2-CG1 3.87Å; I542-V550 HydrophobicContact CD1-CG2 4.32Å; I542-V552 HydrophobicContact CD1-CG2 4.28Å; I542-I572 HydrophobicContact CG2-CG1 4.42Å; I542-I572 HydrophobicContact CG2-CG2 4.41Å; I542-Y577 VanDerWaalsContact O-CA 3.3Å; I542-Y577 WeakPolarHBondContact O-CA 3.5Å; I542-Y577 WeakPolarHBondContact O-CD2 3.33Å; I542-I578 HydrophobicContact CG2-CG2 3.61Å; I542-I578 PolarHBondContact N-O 2.87Å; I542-I578 PolarHBondContact O-N 2.95Å; I542-V580 HydrophobicContact CB-CG1 3.98Å; I542-V580 HydrophobicContact CB-CG2 4.4Å; I542-V580 HydrophobicContact CG2-CG1 3.39Å; I542-L666 HydrophobicContact CD1-CD1 3.24Å
543	R	97.9	Very high	95.5	Very high	63 Å²	63	37.1 Å²	37.1	24%	0.238	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.1	165.8	-155.8	169.8	-61.6	123.3	23.1	110.1	V530 E531 D533 L545 A576 Y577	V530-R543 WeakPolarHBondContact CA-O 3.29Å; E531-R543 HydrophobicContact CB-CB 4.17Å; E531-R543 PolarHBondContact N-O 3.23Å; E531-R543 PolarHBondContact O-N 3.26Å; E531-R543 IonicContact OE1-CZ 2.74Å; E531-R543 IonicContact OE1-NH1 3.71Å; E531-R543 PolarHBondContact OE1-NH1 3.1Å; E531-R543 IonicContact OE1-NH2 3.96Å; D533-R543 IonicContact OD2-CZ 3.33Å; D533-R543 IonicContact OD2-NH1 2.72Å; D533-R543 IonicContact OD2-NH2 3.83Å; D533-R543 PolarHBondContact OD2-NH2 2.9Å; R543-L545 HydrophobicContact CG-CD2 4.1Å; R543-L545 PolarHBondContact O-N 3.2Å; R543-A576 WeakPolarHBondContact CA-O 3.17Å; R543-Y577 HydrophobicContact CB-CD2 3.75Å; R543-Y577 HydrophobicContact CB-CE2 4.45Å; R543-Y577 HydrophobicContact CG-CD2 4.02Å; R543-Y577 HydrophobicContact CG-CG 4.48Å
544	C	97.7	Very high	95.5	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	103.1	175.3	-168.4	0	0	0	0	109.9	F548 I572 Y573 G575 A576	C544-F548 PolarHBondContact SG-O 2.98Å; C544-I572 HydrophobicContact CB-CG2 4.08Å; C544-Y573 VanDerWaalsContact CB-O 3.32Å; C544-Y573 WeakPolarHBondContact CB-O 3.4Å; C544-G575 WeakPolarHBondContact O-CA 3.22Å; C544-G575 PolarHBondContact O-N 3.34Å; C544-A576 PolarHBondContact N-O 3.3Å
545	L	97.1	Very high	95.4	Very high	63 Å²	63	38.4 Å²	38.4	33%	0.33	20%	0.203	S	C	.	.			trans	-91.7	-19.9	177.8	-60	-177.1	0	0	0	112.7	K528 G529 E531 R543	K528-L545 HydrophobicContact CB-CB 3.8Å; G529-L545 CarbonylContact O-C 3.47Å; G529-L545 PolarHBondContact O-N 3.32Å; G529-L545 VanDerWaalsContact O-N 3.07Å; E531-L545 HydrophobicContact CB-CD1 3.96Å; E531-L545 HydrophobicContact CB-CG 4.37Å; R543-L545 HydrophobicContact CG-CD2 4.1Å; R543-L545 PolarHBondContact O-N 3.2Å
546	S	96.6	Very high	95.5	Very high	5 Å²	5	37.1 Å²	37.1	4%	0.035	19%	0.191	C	C	.	.	S	Bend	trans	-63.7	150.7	173	-169.4	0	0	0	0	111.9	Y525 I526 G529 F548 P574	Y525-S546 PolarHBondContact O-OG 3.43Å; I526-S546 WeakPolarHBondContact O-CB 3.37Å; I526-S546 PolarHBondContact O-OG 3.1Å; G529-S546 WeakPolarHBondContact O-CB 3.19Å; G529-S546 PolarHBondContact O-N 3.15Å; S546-F548 PolarHBondContact O-N 3.2Å; S546-F548 PolarHBondContact OG-N 2.94Å; S546-P574 WeakPolarHBondContact O-CB 3.42Å
547	E	96.3	Very high	95.8	Very high	162 Å²	162	34.1 Å²	34.1	76%	0.757	16%	0.157	S	C	*	.	S	Bend	trans	-71.9	-13.1	171.9	-61.4	179.1	174.3	0	0	112.2	P574	E547-P574 WeakPolarHBondContact O-CG 3.27Å
548	F	96.6	Very high	96.2	Very high	78 Å²	78	32 Å²	32	34%	0.342	15%	0.147	S	C	.	.	S	Bend	trans	-110.7	148.8	178.5	-65.3	-91.3	0	0	0	111.3	Y525 C544 S546 V669	Y525-F548 HydrophobicContact CD1-CD2 4.3Å; Y525-F548 HydrophobicContact CD1-CE1 4.36Å; Y525-F548 AromaticContact CD1-CE2 3.41Å; Y525-F548 HydrophobicContact CD1-CE2 3.41Å; Y525-F548 VanDerWaalsContact CD1-CE2 3.41Å; Y525-F548 AromaticContact CD1-CZ 3.44Å; Y525-F548 HydrophobicContact CD1-CZ 3.44Å; Y525-F548 VanDerWaalsContact CD1-CZ 3.44Å; Y525-F548 HydrophobicContact CE1-CE2 4.32Å; Y525-F548 AromaticContact CE1-CZ 3.97Å; Y525-F548 HydrophobicContact CE1-CZ 3.97Å; Y525-F548 HydrophobicContact CG-CD2 4.42Å; Y525-F548 AromaticContact CG-CE2 3.93Å; Y525-F548 HydrophobicContact CG-CE2 3.93Å; Y525-F548 HydrophobicContact CG-CZ 4.03Å; Y525-F548 WeakPolarHBondContact O-CD2 3.05Å; C544-F548 PolarHBondContact SG-O 2.98Å; S546-F548 PolarHBondContact O-N 3.2Å; S546-F548 PolarHBondContact OG-N 2.94Å; F548-V669 HydrophobicContact CB-CG1 4.41Å; F548-V669 HydrophobicContact CB-CG2 4.16Å; F548-V669 HydrophobicContact CD1-CG1 4.21Å; F548-V669 HydrophobicContact CG-CG1 4.29Å; F548-V669 HydrophobicContact CG-CG2 4.46Å
549	S	96.6	Very high	96.3	Very high	18 Å²	18	37.3 Å²	37.3	13%	0.126	17%	0.165	C	C	.	.			trans	-60.6	146.6	173.1	-58.6	0	0	0	0	112.1	K571 I572 V669	S549-K571 WeakPolarHBondContact OG-CE 3.04Å; S549-I572 WeakPolarHBondContact CA-O 3.4Å; S549-I572 VanDerWaalsContact CB-O 3.27Å; S549-I572 WeakPolarHBondContact CB-O 3.4Å; S549-V669 PolarHBondContact O-N 3.31Å
550	V	97.5	Very high	96.2	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	153.4	168.8	-61.6	0	0	0	0	110.2	V530 I542 I572 L666 F668	V530-V550 HydrophobicContact CG1-CB 4.36Å; V530-V550 HydrophobicContact CG1-CG1 3.72Å; V530-V550 HydrophobicContact CG1-CG2 4.01Å; I542-V550 HydrophobicContact CD1-CG2 4.32Å; V550-I572 HydrophobicContact CG2-CB 3.8Å; V550-I572 HydrophobicContact CG2-CG1 4.35Å; V550-I572 HydrophobicContact CG2-CG2 4.42Å; V550-I572 PolarHBondContact N-O 2.88Å; V550-I572 VanDerWaalsContact N-O 3.08Å; V550-I572 PolarHBondContact O-N 2.74Å; V550-L666 HydrophobicContact CB-CD1 3.88Å; V550-L666 HydrophobicContact CB-CD2 4.2Å; V550-L666 HydrophobicContact CB-CG 4.06Å; V550-L666 HydrophobicContact CG1-CD1 4.45Å; V550-L666 HydrophobicContact CG1-CD2 4.3Å; V550-L666 HydrophobicContact CG2-CD1 3.81Å; V550-L666 HydrophobicContact CG2-CG 4.49Å; V550-F668 HydrophobicContact CG1-CD1 3.93Å; V550-F668 HydrophobicContact CG1-CE1 4.47Å
551	F	97.8	Very high	95.9	Very high	10 Å²	10	42.5 Å²	42.5	4%	0.044	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.5	-171.6	-61.9	-93.7	0	0	0	108.9	V569 K571 L666 S667 K670 G671 W672 Y676	F551-V569 HydrophobicContact CB-CG1 3.95Å; F551-V569 HydrophobicContact CD1-CG1 4.23Å; F551-K571 HydrophobicContact CD1-CB 4.01Å; F551-K571 HydrophobicContact CD1-CG 4.09Å; F551-K571 HydrophobicContact CE1-CB 3.92Å; F551-K571 HydrophobicContact CE1-CD 3.79Å; F551-K571 HydrophobicContact CE1-CG 3.61Å; F551-K571 HydrophobicContact CZ-CD 4.17Å; F551-K571 HydrophobicContact CZ-CG 4.08Å; F551-L666 CarbonylContact O-C 3.56Å; F551-L666 VanDerWaalsContact O-CA 3.29Å; F551-L666 WeakPolarHBondContact O-CA 3.4Å; F551-S667 PolarHBondContact N-O 2.9Å; F551-S667 PolarHBondContact O-N 3.43Å; F551-K670 VanDerWaalsContact CD2-C 3.49Å; F551-G671 VanDerWaalsContact CD1-CA 3.44Å; F551-G671 VanDerWaalsContact CD2-N 3.31Å; F551-W672 HydrophobicContact CB-CE3 4.15Å; F551-W672 HydrophobicContact CB-CH2 4.33Å; F551-W672 HydrophobicContact CB-CZ3 3.6Å; F551-W672 WeakPolarHBondContact O-CH2 3.32Å; F551-W672 WeakPolarHBondContact O-CZ3 3.38Å; F551-Y676 HydrophobicContact CE1-CE1 4.21Å; F551-Y676 HydrophobicContact CE1-CE2 4.46Å; F551-Y676 AromaticContact CE1-CZ 3.77Å; F551-Y676 WeakPolarHBondContact CE1-OH 3.22Å; F551-Y676 HydrophobicContact CZ-CE1 4.45Å
552	V	97.5	Very high	95.5	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.024	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.5	-169.2	177.7	0	0	0	0	111.1	I542 H570 I572 V580 R665 L666	I542-V552 HydrophobicContact CD1-CG2 4.28Å; V552-H570 HydrophobicContact CB-CB 4.4Å; V552-H570 PolarHBondContact N-O 3.23Å; V552-H570 PolarHBondContact O-N 3.08Å; V552-H570 PolarHBondContact O-ND1 3.48Å; V552-I572 HydrophobicContact CG2-CG1 3.87Å; V552-V580 HydrophobicContact CG1-CG1 4.44Å; V552-R665 CarbonylContact C-O 3.58Å; V552-R665 WeakPolarHBondContact CA-O 3.47Å; V552-L666 HydrophobicContact CG2-CB 4.48Å; V552-L666 HydrophobicContact CG2-CD1 3.96Å; V552-L666 HydrophobicContact CG2-CG 4.36Å
553	Q	96	Very high	95.2	Very high	38 Å²	38	47.1 Å²	47.1	18%	0.178	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	120.5	160.8	-162.3	172.3	31.2	0	0	108.1	R665 W672	Q553-R665 HydrophobicContact CB-CB 4.12Å; Q553-R665 PolarHBondContact N-O 3.24Å; Q553-R665 PolarHBondContact O-N 3.37Å; Q553-W672 HydrophobicContact CB-CH2 4.28Å; Q553-W672 HydrophobicContact CB-CZ2 3.98Å
554	S	95.5	Very high	94.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.007	24%	0.242	C	C	.	.			trans	-153.1	123	175.8	171.5	0	0	0	0	110.7	Y556 L557 D558 V580	S554-Y556 PolarHBondContact O-N 2.88Å; S554-Y556 PolarHBondContact OG-N 2.85Å; S554-L557 PolarHBondContact O-N 2.73Å; S554-L557 VanDerWaalsContact O-N 3.13Å; S554-L557 PolarHBondContact OG-N 2.96Å; S554-D558 PolarHBondContact O-N 2.96Å; S554-V580 WeakPolarHBondContact CB-O 3.49Å; S554-V580 PolarHBondContact OG-O 2.83Å
555	Y	94.3	Very high	94.1	Very high	60 Å²	60	51.5 Å²	51.5	24%	0.235	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-29.6	173.4	-68.5	-76.9	0	0	0	113.6	D558 R559 P565 R660 L661	Y555-D558 WeakPolarHBondContact CA-OD2 3.44Å; Y555-R559 PolarHBondContact O-N 2.85Å; Y555-P565 HydrophobicContact CD1-CB 3.7Å; Y555-P565 HydrophobicContact CE1-CB 3.73Å; Y555-R660 HydrophobicContact CE2-CB 3.79Å; Y555-R660 VanDerWaalsContact CE2-O 3.29Å; Y555-R660 WeakPolarHBondContact CE2-O 3.45Å; Y555-L661 HydrophobicContact CD1-CD2 4.14Å; Y555-L661 HydrophobicContact CD2-CD2 4.13Å; Y555-L661 HydrophobicContact CG-CD2 3.85Å
556	Y	95.3	Very high	93.5	Very high	37 Å²	37	49.7 Å²	49.7	15%	0.145	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-51.4	172.8	168.6	-103	0	0	0	110.1	S554 R559 E560 K579 D582 Q585	S554-Y556 PolarHBondContact O-N 2.88Å; S554-Y556 PolarHBondContact OG-N 2.85Å; Y556-R559 PolarHBondContact O-N 2.82Å; Y556-E560 HydrophobicContact CD2-CG 4.31Å; Y556-E560 HydrophobicContact CE1-CG 4.06Å; Y556-E560 HydrophobicContact CE2-CG 3.79Å; Y556-E560 WeakPolarHBondContact O-CG 3.37Å; Y556-E560 PolarHBondContact O-N 2.83Å; Y556-K579 HydrophobicContact CE1-CB 4.11Å; Y556-K579 HydrophobicContact CE1-CD 4.31Å; Y556-K579 HydrophobicContact CE1-CG 4Å; Y556-K579 WeakPolarHBondContact CE1-O 3.32Å; Y556-D582 HydrophobicContact CD2-CB 3.62Å; Y556-D582 HydrophobicContact CE2-CB 3.6Å; Y556-D582 HydrophobicContact CG-CB 4.49Å; Y556-Q585 VanDerWaalsContact CD2-OE1 3.23Å
557	L	95.2	Very high	93	Very high	14 Å²	14	54.7 Å²	54.7	7%	0.073	30%	0.295	C	S	.	.	H	α-helix	trans	-68.2	-34.7	179.1	-67.7	-179	0	0	0	112.6	S554 R559 E560 A561 H570 I578 K579 V580	S554-L557 PolarHBondContact O-N 2.73Å; S554-L557 VanDerWaalsContact O-N 3.13Å; S554-L557 PolarHBondContact OG-N 2.96Å; L557-R559 VanDerWaalsContact C-N 3.31Å; L557-R559 PolarHBondContact O-N 3.04Å; L557-E560 PolarHBondContact O-N 3.07Å; L557-A561 WeakPolarHBondContact O-CB 3.23Å; L557-A561 PolarHBondContact O-N 3.38Å; L557-H570 VanDerWaalsContact CB-CE1 3.41Å; L557-H570 WeakPolarHBondContact CB-CE1 3.47Å; L557-H570 WeakPolarHBondContact CB-NE2 3.4Å; L557-H570 HydrophobicContact CD1-CB 3.74Å; L557-H570 PolarHBondContact O-NE2 3.34Å; L557-I578 HydrophobicContact CD2-CD1 4.3Å; L557-K579 WeakPolarHBondContact CD2-O 3.36Å; L557-V580 HydrophobicContact CD1-CG1 4.18Å
558	D	94	Very high	92.7	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-56.2	-47.6	173.4	-68	-46.7	0	0	0	110.7	S554 Y555 A561 G562 R563 G566 A568 H570	S554-D558 PolarHBondContact O-N 2.96Å; Y555-D558 WeakPolarHBondContact CA-OD2 3.44Å; D558-A561 CarbonylContact O-C 3.59Å; D558-A561 PolarHBondContact O-N 2.9Å; D558-G562 PolarHBondContact O-N 3.38Å; D558-G562 VanDerWaalsContact O-N 3.15Å; D558-R563 PolarHBondContact O-N 3.18Å; D558-G566 VanDerWaalsContact OD2-CA 3.31Å; D558-G566 WeakPolarHBondContact OD2-CA 3.39Å; D558-G566 PolarHBondContact OD2-N 3.35Å; D558-A568 VanDerWaalsContact OD1-CB 3.29Å; D558-A568 WeakPolarHBondContact OD1-CB 3.29Å; D558-A568 PolarHBondContact OD1-N 2.6Å; D558-H570 PolarHBondContact N-CE1 3.5Å; D558-H570 IonicContact OD1-CE1 3.16Å; D558-H570 PolarHBondContact OD1-CE1 2.92Å
559	R	91.7	Very high	92.6	Very high	116 Å²	116	45.9 Å²	45.9	44%	0.438	26%	0.26	S	S	.	.	H	α-helix	trans	-68.6	-44.9	179.8	174.8	164.2	149.5	-172.8	-7.1	112.4	Y555 Y556 L557 A561 G562 Q585 E589	Y555-R559 PolarHBondContact O-N 2.85Å; Y556-R559 PolarHBondContact O-N 2.82Å; L557-R559 VanDerWaalsContact C-N 3.31Å; L557-R559 PolarHBondContact O-N 3.04Å; R559-A561 PolarHBondContact O-N 3.32Å; R559-G562 PolarHBondContact O-N 2.92Å; R559-G562 VanDerWaalsContact O-N 3.07Å; R559-Q585 VanDerWaalsContact CD-NE2 3.33Å; R559-E589 IonicContact CZ-OE2 3.51Å; R559-E589 IonicContact NH1-OE2 2.73Å; R559-E589 PolarHBondContact NH1-OE2 2.88Å
560	E	92.5	Very high	92.6	Very high	119 Å²	119	45.6 Å²	45.6	56%	0.556	26%	0.257	S	S	*	.	H	α-helix	trans	-60.9	-30.4	174.3	-69.9	-62.5	102	0	0	112.3	Y556 L557 G562	Y556-E560 HydrophobicContact CD2-CG 4.31Å; Y556-E560 HydrophobicContact CE1-CG 4.06Å; Y556-E560 HydrophobicContact CE2-CG 3.79Å; Y556-E560 WeakPolarHBondContact O-CG 3.37Å; Y556-E560 PolarHBondContact O-N 2.83Å; L557-E560 PolarHBondContact O-N 3.07Å; E560-G562 VanDerWaalsContact C-N 3.35Å
561	A	91.4	Very high	92.6	Very high	23 Å²	23	49 Å²	49	19%	0.19	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1.9	178.4	0	0	0	0	0	113.8	W291 L557 D558 R559 R563	W291-A561 HydrophobicContact CH2-CB 3.7Å; W291-A561 HydrophobicContact CZ2-CB 3.87Å; L557-A561 WeakPolarHBondContact O-CB 3.23Å; L557-A561 PolarHBondContact O-N 3.38Å; D558-A561 CarbonylContact O-C 3.59Å; D558-A561 PolarHBondContact O-N 2.9Å; R559-A561 PolarHBondContact O-N 3.32Å; A561-R563 VanDerWaalsContact C-N 3.32Å; A561-R563 HydrophobicContact CB-CG 4.36Å; A561-R563 PolarHBondContact O-N 3.28Å
562	G	90.8	Very high	92.5	Very high	69 Å²	69	48.9 Å²	48.9	71%	0.711	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	26.7	179.3	0	0	0	0	0	114.5	D558 R559 E560	D558-G562 PolarHBondContact O-N 3.38Å; D558-G562 VanDerWaalsContact O-N 3.15Å; R559-G562 PolarHBondContact O-N 2.92Å; R559-G562 VanDerWaalsContact O-N 3.07Å; E560-G562 VanDerWaalsContact C-N 3.35Å
563	R	90.5	Very high	92.5	Very high	106 Å²	106	52.7 Å²	52.7	40%	0.4	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-102.7	164.8	-177.9	-64.5	-62.3	-174.6	145.5	2.1	112	W291 D558 A561 A568	W291-R563 HydrophobicContact CH2-CG 4.11Å; W291-R563 HydrophobicContact CZ3-CG 4.32Å; W291-R563 VanDerWaalsContact CZ3-NH2 3.29Å; D558-R563 PolarHBondContact O-N 3.18Å; A561-R563 VanDerWaalsContact C-N 3.32Å; A561-R563 HydrophobicContact CB-CG 4.36Å; A561-R563 PolarHBondContact O-N 3.28Å; R563-A568 HydrophobicContact CB-CB 4.24Å; R563-A568 HydrophobicContact CG-CB 4.14Å
564	A	86.5	Confident	92.6	Very high	56 Å²	56	53.7 Å²	53.7	46%	0.463	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-67.4	145.2	173.5	0	0	0	0	0	110.3	G566 D567	A564-G566 PolarHBondContact O-N 3.1Å; A564-G566 VanDerWaalsContact O-N 3.13Å; A564-D567 HydrophobicContact CB-CB 3.94Å; A564-D567 WeakPolarHBondContact O-CB 3.31Å; A564-D567 PolarHBondContact O-N 2.86Å; A564-D567 VanDerWaalsContact O-N 3.08Å
565	P	85.8	Confident	92.5	Very high	101 Å²	101	56.7 Å²	56.7	66%	0.656	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	116.9	179.5	-30.5	37.5	0	0	0	113.2	Y555	Y555-P565 HydrophobicContact CD1-CB 3.7Å; Y555-P565 HydrophobicContact CE1-CB 3.73Å
566	G	84.9	Confident	92.7	Very high	25 Å²	25	55.5 Å²	55.5	26%	0.258	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	2.9	178.1	0	0	0	0	0	116.5	D558 A564	D558-G566 VanDerWaalsContact OD2-CA 3.31Å; D558-G566 WeakPolarHBondContact OD2-CA 3.39Å; D558-G566 PolarHBondContact OD2-N 3.35Å; A564-G566 PolarHBondContact O-N 3.1Å; A564-G566 VanDerWaalsContact O-N 3.13Å
567	D	86.2	Confident	92.7	Very high	109 Å²	109	58.3 Å²	58.3	58%	0.583	34%	0.34	S	S	*	.			trans	-82.9	-22.2	-177	-174.2	54.5	0	0	0	113.5	A564	A564-D567 HydrophobicContact CB-CB 3.94Å; A564-D567 WeakPolarHBondContact O-CB 3.31Å; A564-D567 PolarHBondContact O-N 2.86Å; A564-D567 VanDerWaalsContact O-N 3.08Å
568	A	90	Very high	92.8	Very high	14 Å²	14	60.2 Å²	60.2	12%	0.116	35%	0.35	C	S	.	.			trans	-101.9	160.1	-177.9	0	0	0	0	0	114	D558 R563	D558-A568 VanDerWaalsContact OD1-CB 3.29Å; D558-A568 WeakPolarHBondContact OD1-CB 3.29Å; D558-A568 PolarHBondContact OD1-N 2.6Å; R563-A568 HydrophobicContact CB-CB 4.24Å; R563-A568 HydrophobicContact CG-CB 4.14Å
569	V	95.3	Very high	93	Very high	42 Å²	42	61.6 Å²	61.6	26%	0.255	36%	0.356	S	S	.	.			trans	-127.2	110	174.6	-178.2	0	0	0	0	108.6	F551 K571 W672	F551-V569 HydrophobicContact CB-CG1 3.95Å; F551-V569 HydrophobicContact CD1-CG1 4.23Å; V569-K571 PolarHBondContact O-N 3.45Å; V569-W672 HydrophobicContact CB-CZ2 4.33Å; V569-W672 HydrophobicContact CG1-CD2 4.1Å; V569-W672 HydrophobicContact CG1-CE3 4.11Å; V569-W672 HydrophobicContact CG1-CH2 3.83Å; V569-W672 HydrophobicContact CG1-CZ2 3.78Å; V569-W672 HydrophobicContact CG1-CZ3 3.99Å; V569-W672 HydrophobicContact CG2-CD2 4.14Å; V569-W672 VanDerWaalsContact CG2-CE2 3.48Å; V569-W672 HydrophobicContact CG2-CG 4.39Å; V569-W672 HydrophobicContact CG2-CZ2 3.74Å
570	H	96.1	Very high	93.2	Very high	11 Å²	11	56.1 Å²	56.1	5%	0.051	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	108.4	-171.6	-56	91.3	0	0	0	110.3	V552 L557 D558 I572	V552-H570 HydrophobicContact CB-CB 4.4Å; V552-H570 PolarHBondContact N-O 3.23Å; V552-H570 PolarHBondContact O-N 3.08Å; V552-H570 PolarHBondContact O-ND1 3.48Å; L557-H570 VanDerWaalsContact CB-CE1 3.41Å; L557-H570 WeakPolarHBondContact CB-CE1 3.47Å; L557-H570 WeakPolarHBondContact CB-NE2 3.4Å; L557-H570 HydrophobicContact CD1-CB 3.74Å; L557-H570 PolarHBondContact O-NE2 3.34Å; D558-H570 PolarHBondContact N-CE1 3.5Å; D558-H570 IonicContact OD1-CE1 3.16Å; D558-H570 PolarHBondContact OD1-CE1 2.92Å; H570-I572 HydrophobicContact CB-CD1 4.41Å; H570-I572 PolarHBondContact O-N 3.46Å
571	K	96.8	Very high	93.4	Very high	72 Å²	72	50.8 Å²	50.8	31%	0.313	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	108.5	177.5	-177.2	-177.2	173.5	-164.4	0	110.4	S549 F551 V569 Y573	S549-K571 WeakPolarHBondContact OG-CE 3.04Å; F551-K571 HydrophobicContact CD1-CB 4.01Å; F551-K571 HydrophobicContact CD1-CG 4.09Å; F551-K571 HydrophobicContact CE1-CB 3.92Å; F551-K571 HydrophobicContact CE1-CD 3.79Å; F551-K571 HydrophobicContact CE1-CG 3.61Å; F551-K571 HydrophobicContact CZ-CD 4.17Å; F551-K571 HydrophobicContact CZ-CG 4.08Å; V569-K571 PolarHBondContact O-N 3.45Å; K571-Y573 HydrophobicContact CD-CE1 4.27Å; K571-Y573 HydrophobicContact CD-CE2 4.31Å; K571-Y573 HydrophobicContact CG-CE2 4.33Å; K571-Y573 PolarHBondContact NZ-OH 3.29Å; K571-Y573 VanDerWaalsContact NZ-OH 3.07Å
572	I	96.8	Very high	93.6	Very high	9 Å²	9	51.1 Å²	51.1	5%	0.046	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.5	176.1	-49.4	-48.3	0	0	0	108.7	I542 C544 S549 V550 V552 H570 A576 I578	I542-I572 HydrophobicContact CG2-CG1 4.42Å; I542-I572 HydrophobicContact CG2-CG2 4.41Å; C544-I572 HydrophobicContact CB-CG2 4.08Å; S549-I572 WeakPolarHBondContact CA-O 3.4Å; S549-I572 VanDerWaalsContact CB-O 3.27Å; S549-I572 WeakPolarHBondContact CB-O 3.4Å; V550-I572 HydrophobicContact CG2-CB 3.8Å; V550-I572 HydrophobicContact CG2-CG1 4.35Å; V550-I572 HydrophobicContact CG2-CG2 4.42Å; V550-I572 PolarHBondContact N-O 2.88Å; V550-I572 VanDerWaalsContact N-O 3.08Å; V550-I572 PolarHBondContact O-N 2.74Å; V552-I572 HydrophobicContact CG2-CG1 3.87Å; H570-I572 HydrophobicContact CB-CD1 4.41Å; H570-I572 PolarHBondContact O-N 3.46Å; I572-A576 HydrophobicContact CG2-CB 3.85Å; I572-I578 HydrophobicContact CD1-CG2 3.9Å; I572-I578 HydrophobicContact CG1-CG2 4.48Å; I572-I578 HydrophobicContact CG2-CG2 4.42Å
573	Y	97.2	Very high	93.8	Very high	83 Å²	83	48 Å²	48	33%	0.325	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-83.3	152.6	-177.5	-72.4	-88.8	0	0	0	112.2	C544 K571 G575 A576	C544-Y573 VanDerWaalsContact CB-O 3.32Å; C544-Y573 WeakPolarHBondContact CB-O 3.4Å; K571-Y573 HydrophobicContact CD-CE1 4.27Å; K571-Y573 HydrophobicContact CD-CE2 4.31Å; K571-Y573 HydrophobicContact CG-CE2 4.33Å; K571-Y573 PolarHBondContact NZ-OH 3.29Å; K571-Y573 VanDerWaalsContact NZ-OH 3.07Å; Y573-G575 PolarHBondContact O-N 3.46Å; Y573-A576 WeakPolarHBondContact O-CB 3.3Å; Y573-A576 PolarHBondContact O-N 3.22Å
574	P	97	Very high	93.9	Very high	59 Å²	59	46.8 Å²	46.8	38%	0.383	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	132.9	172.2	-30.4	37.3	0	0	0	112.5	S546 E547 A576	S546-P574 WeakPolarHBondContact O-CB 3.42Å; E547-P574 WeakPolarHBondContact O-CG 3.27Å; P574-A576 PolarHBondContact O-N 2.98Å
575	G	94.8	Very high	94.1	Very high	65 Å²	65	45.3 Å²	45.3	67%	0.67	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	-7.8	-177.6	0	0	0	0	0	115.8	C544 Y573	C544-G575 WeakPolarHBondContact O-CA 3.22Å; C544-G575 PolarHBondContact O-N 3.34Å; Y573-G575 PolarHBondContact O-N 3.46Å
576	A	96.7	Very high	94.5	Very high	34 Å²	34	41 Å²	41	28%	0.281	23%	0.227	S	C	.	.			trans	-69.4	145.3	175.6	0	0	0	0	0	111.8	R543 C544 I572 Y573 P574	R543-A576 WeakPolarHBondContact CA-O 3.17Å; C544-A576 PolarHBondContact N-O 3.3Å; I572-A576 HydrophobicContact CG2-CB 3.85Å; Y573-A576 WeakPolarHBondContact O-CB 3.3Å; Y573-A576 PolarHBondContact O-N 3.22Å; P574-A576 PolarHBondContact O-N 2.98Å
577	Y	97.2	Very high	94.9	Very high	96 Å²	96	40.6 Å²	40.6	38%	0.376	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	117.5	173.4	-178.3	-119.5	0	0	0	109	W541 I542 R543	W541-Y577 HydrophobicContact CB-CD2 4.44Å; W541-Y577 HydrophobicContact CB-CE2 3.52Å; W541-Y577 WeakPolarHBondContact CB-OH 3.41Å; W541-Y577 HydrophobicContact CD2-CE1 4.12Å; W541-Y577 AromaticContact CD2-CZ 3.9Å; W541-Y577 AromaticContact CE3-CD1 3.95Å; W541-Y577 HydrophobicContact CE3-CD1 3.95Å; W541-Y577 AromaticContact CE3-CE1 3.51Å; W541-Y577 HydrophobicContact CE3-CE1 3.51Å; W541-Y577 HydrophobicContact CE3-CE2 4.24Å; W541-Y577 HydrophobicContact CE3-CG 4.48Å; W541-Y577 AromaticContact CE3-CZ 3.67Å; W541-Y577 HydrophobicContact CG-CE2 4.3Å; W541-Y577 AromaticContact CG-CZ 3.9Å; W541-Y577 HydrophobicContact CZ3-CD1 4.31Å; W541-Y577 HydrophobicContact CZ3-CE1 4.06Å; I542-Y577 VanDerWaalsContact O-CA 3.3Å; I542-Y577 WeakPolarHBondContact O-CA 3.5Å; I542-Y577 WeakPolarHBondContact O-CD2 3.33Å; R543-Y577 HydrophobicContact CB-CD2 3.75Å; R543-Y577 HydrophobicContact CB-CE2 4.45Å; R543-Y577 HydrophobicContact CG-CD2 4.02Å; R543-Y577 HydrophobicContact CG-CG 4.48Å
578	I	96.7	Very high	95.2	Very high	55 Å²	55	41.2 Å²	41.2	28%	0.282	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146.2	-170.4	-168.5	171.7	0	0	0	111.5	W541 I542 L557 I572 V580	W541-I578 CarbonylContact C-O 3.53Å; W541-I578 WeakPolarHBondContact CA-O 3.02Å; I542-I578 HydrophobicContact CG2-CG2 3.61Å; I542-I578 PolarHBondContact N-O 2.87Å; I542-I578 PolarHBondContact O-N 2.95Å; L557-I578 HydrophobicContact CD2-CD1 4.3Å; I572-I578 HydrophobicContact CD1-CG2 3.9Å; I572-I578 HydrophobicContact CG1-CG2 4.48Å; I572-I578 HydrophobicContact CG2-CG2 4.42Å; I578-V580 HydrophobicContact CG2-CG1 4.2Å; I578-V580 PolarHBondContact O-N 3.46Å
579	K	97.1	Very high	95.3	Very high	29 Å²	29	43.7 Å²	43.7	13%	0.126	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	126.1	170.2	-167	174.9	-171.4	173.6	0	108.8	D539 W541 Y556 L557 F581 D582	D539-K579 VanDerWaalsContact CG-CE 3.4Å; D539-K579 IonicContact OD1-NZ 3.57Å; D539-K579 VanDerWaalsContact OD2-CE 3.32Å; D539-K579 WeakPolarHBondContact OD2-CE 3.48Å; D539-K579 IonicContact OD2-NZ 2.78Å; D539-K579 PolarHBondContact OD2-NZ 3.5Å; W541-K579 HydrophobicContact CD2-CB 3.9Å; W541-K579 HydrophobicContact CD2-CG 4.4Å; W541-K579 HydrophobicContact CE3-CB 4.1Å; W541-K579 HydrophobicContact CH2-CB 4.04Å; W541-K579 HydrophobicContact CZ2-CB 3.85Å; W541-K579 HydrophobicContact CZ2-CD 4.21Å; W541-K579 HydrophobicContact CZ2-CG 4.25Å; W541-K579 HydrophobicContact CZ3-CB 4.16Å; Y556-K579 HydrophobicContact CE1-CB 4.11Å; Y556-K579 HydrophobicContact CE1-CD 4.31Å; Y556-K579 HydrophobicContact CE1-CG 4Å; Y556-K579 WeakPolarHBondContact CE1-O 3.32Å; L557-K579 WeakPolarHBondContact CD2-O 3.36Å; K579-F581 WeakPolarHBondContact CE-O 3.43Å; K579-D582 IonicContact NZ-OD2 2.76Å; K579-D582 PolarHBondContact NZ-OD2 3.45Å
580	V	97	Very high	95.1	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-10.1	178.3	-66.6	0	0	0	0	112.8	V540 I542 V552 S554 L557 I578 L664	V540-V580 HydrophobicContact CB-CG2 4.14Å; V540-V580 HydrophobicContact CG1-CG2 4Å; V540-V580 VanDerWaalsContact O-CG2 3.27Å; V540-V580 WeakPolarHBondContact O-CG2 3.3Å; V540-V580 PolarHBondContact O-N 3.19Å; I542-V580 HydrophobicContact CB-CG1 3.98Å; I542-V580 HydrophobicContact CB-CG2 4.4Å; I542-V580 HydrophobicContact CG2-CG1 3.39Å; V552-V580 HydrophobicContact CG1-CG1 4.44Å; S554-V580 WeakPolarHBondContact CB-O 3.49Å; S554-V580 PolarHBondContact OG-O 2.83Å; L557-V580 HydrophobicContact CD1-CG1 4.18Å; I578-V580 HydrophobicContact CG2-CG1 4.2Å; I578-V580 PolarHBondContact O-N 3.46Å; V580-L664 HydrophobicContact CG2-CD1 3.79Å
581	F	97.1	Very high	94.9	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	137.6	178.5	-176.4	-94	0	0	0	110.8	G538 V540 K579 I583 C586 L661 L664 L692 P695	G538-F581 WeakPolarHBondContact O-CD1 3.38Å; V540-F581 HydrophobicContact CB-CB 3.92Å; V540-F581 HydrophobicContact CG2-CB 4.19Å; V540-F581 HydrophobicContact CG2-CD1 4.34Å; V540-F581 PolarHBondContact N-O 3.04Å; V540-F581 VanDerWaalsContact N-O 3.17Å; V540-F581 PolarHBondContact O-N 3.49Å; V540-F581 VanDerWaalsContact O-N 3.15Å; K579-F581 WeakPolarHBondContact CE-O 3.43Å; F581-I583 HydrophobicContact CE1-CB 4.01Å; F581-I583 HydrophobicContact CE1-CG1 4.42Å; F581-C586 HydrophobicContact CE1-CB 4.29Å; F581-C586 HydrophobicContact CE2-CB 3.72Å; F581-C586 HydrophobicContact CZ-CB 3.39Å; F581-C586 VanDerWaalsContact CZ-SG 3.58Å; F581-L661 WeakPolarHBondContact CE2-O 3.44Å; F581-L664 HydrophobicContact CB-CD1 4.23Å; F581-L664 HydrophobicContact CB-CD2 4.44Å; F581-L692 HydrophobicContact CB-CD1 4.23Å; F581-L692 HydrophobicContact CD1-CD1 3.69Å; F581-L692 HydrophobicContact CD2-CD1 3.7Å; F581-L692 HydrophobicContact CE1-CD1 3.89Å; F581-L692 HydrophobicContact CE2-CD1 3.91Å; F581-L692 HydrophobicContact CG-CD1 3.59Å; F581-L692 HydrophobicContact CZ-CD1 4Å; F581-P695 HydrophobicContact CE1-CB 4.39Å; F581-P695 HydrophobicContact CE1-CG 3.42Å; F581-P695 VanDerWaalsContact CE1-CG 3.42Å; F581-P695 HydrophobicContact CE2-CG 4.4Å; F581-P695 HydrophobicContact CZ-CB 3.81Å; F581-P695 HydrophobicContact CZ-CG 3.31Å
582	D	95.1	Very high	94.6	Very high	30 Å²	30	45.5 Å²	45.5	16%	0.16	24%	0.24	C	C	.	.			trans	-120.3	121.6	172.1	-175.8	-59.4	0	0	0	109.5	D539 Y556 K579 R584 Q585 C586	D539-D582 WeakPolarHBondContact OD1-CA 3.46Å; Y556-D582 HydrophobicContact CD2-CB 3.62Å; Y556-D582 HydrophobicContact CE2-CB 3.6Å; Y556-D582 HydrophobicContact CG-CB 4.49Å; K579-D582 IonicContact NZ-OD2 2.76Å; K579-D582 PolarHBondContact NZ-OD2 3.45Å; D582-R584 WeakPolarHBondContact OD1-CA 3.28Å; D582-R584 WeakPolarHBondContact OD1-CB 3.21Å; D582-R584 PolarHBondContact OD1-N 3.33Å; D582-Q585 HydrophobicContact CB-CB 3.94Å; D582-Q585 PolarHBondContact OD1-N 2.96Å; D582-C586 VanDerWaalsContact O-CB 3.3Å; D582-C586 WeakPolarHBondContact O-CB 3.34Å; D582-C586 PolarHBondContact O-N 3.49Å
583	I	94	Very high	94.3	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-71.2	-32.5	-175.5	-168.3	175.4	0	0	0	112.9	L457 E537 D539 F581 H587 R694 P695 L698	L457-I583 HydrophobicContact CD1-CB 4.29Å; L457-I583 HydrophobicContact CD1-CD1 4.2Å; L457-I583 HydrophobicContact CD1-CG1 3.79Å; L457-I583 HydrophobicContact CD1-CG2 3.89Å; E537-I583 HydrophobicContact CB-CD1 4.44Å; E537-I583 HydrophobicContact CB-CG2 4.45Å; E537-I583 HydrophobicContact CG-CD1 4.16Å; D539-I583 WeakPolarHBondContact OD1-CG2 3.18Å; D539-I583 PolarHBondContact OD1-N 3.3Å; F581-I583 HydrophobicContact CE1-CB 4.01Å; F581-I583 HydrophobicContact CE1-CG1 4.42Å; I583-H587 WeakPolarHBondContact O-CB 3.2Å; I583-H587 PolarHBondContact O-N 3.36Å; I583-H587 VanDerWaalsContact O-N 3.08Å; I583-R694 HydrophobicContact CD1-CB 4.26Å; I583-R694 HydrophobicContact CD1-CG 3.51Å; I583-P695 HydrophobicContact CG1-CG 4.44Å; I583-L698 HydrophobicContact CD1-CD1 3.85Å; I583-L698 HydrophobicContact CG1-CD1 3.8Å
584	R	92.9	Very high	93.9	Very high	81 Å²	81	43.7 Å²	43.7	31%	0.306	24%	0.236	S	C	.	.	H	α-helix	trans	-71	-47.4	180	-60.8	-172.2	174	-85.4	-10.4	109.9	P455 L457 D582 C586 H587 E588	P455-R584 PolarHBondContact O-NH1 3.4Å; P455-R584 PolarHBondContact O-NH2 3.08Å; L457-R584 HydrophobicContact CD1-CG 3.97Å; L457-R584 HydrophobicContact CD2-CG 4.14Å; L457-R584 HydrophobicContact CG-CG 4.31Å; D582-R584 WeakPolarHBondContact OD1-CA 3.28Å; D582-R584 WeakPolarHBondContact OD1-CB 3.21Å; D582-R584 PolarHBondContact OD1-N 3.33Å; R584-C586 PolarHBondContact O-N 3Å; R584-H587 PolarHBondContact O-N 3.04Å; R584-E588 WeakPolarHBondContact O-CG 3.37Å; R584-E588 PolarHBondContact O-N 3.06Å
585	Q	92	Very high	93.6	Very high	24 Å²	24	47.6 Å²	47.6	11%	0.112	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-43.7	175	-178	173.9	-26.5	0	0	111.9	Y556 R559 D582 H587 E588 E589	Y556-Q585 VanDerWaalsContact CD2-OE1 3.23Å; R559-Q585 VanDerWaalsContact CD-NE2 3.33Å; D582-Q585 HydrophobicContact CB-CB 3.94Å; D582-Q585 PolarHBondContact OD1-N 2.96Å; Q585-H587 VanDerWaalsContact C-N 3.3Å; Q585-H587 PolarHBondContact O-N 2.74Å; Q585-E588 PolarHBondContact O-N 3.24Å; Q585-E589 WeakPolarHBondContact O-CB 3.2Å; Q585-E589 PolarHBondContact O-N 3.03Å
586	C	93.8	Very high	93.3	Very high	10 Å²	10	47.7 Å²	47.7	7%	0.068	24%	0.24	C	C	.	.	H	α-helix	trans	-59.5	-41.7	176.6	-175.1	0	0	0	0	111.8	F581 D582 R584 M590	F581-C586 HydrophobicContact CE1-CB 4.29Å; F581-C586 HydrophobicContact CE2-CB 3.72Å; F581-C586 HydrophobicContact CZ-CB 3.39Å; F581-C586 VanDerWaalsContact CZ-SG 3.58Å; D582-C586 VanDerWaalsContact O-CB 3.3Å; D582-C586 WeakPolarHBondContact O-CB 3.34Å; D582-C586 PolarHBondContact O-N 3.49Å; R584-C586 PolarHBondContact O-N 3Å; C586-M590 WeakPolarHBondContact O-CB 3.41Å; C586-M590 PolarHBondContact O-N 3.31Å
587	H	92.8	Very high	92.8	Very high	18 Å²	18	46.9 Å²	46.9	8%	0.083	23%	0.232	C	C	.	.	H	α-helix	trans	-69.2	-37.3	179.9	177.1	-144.2	0	0	0	113.2	L457 I583 R584 Q585 K591 L698	L457-H587 HydrophobicContact CD1-CB 4.37Å; I583-H587 WeakPolarHBondContact O-CB 3.2Å; I583-H587 PolarHBondContact O-N 3.36Å; I583-H587 VanDerWaalsContact O-N 3.08Å; R584-H587 PolarHBondContact O-N 3.04Å; Q585-H587 VanDerWaalsContact C-N 3.3Å; Q585-H587 PolarHBondContact O-N 2.74Å; H587-K591 PolarHBondContact CE1-NZ 2.68Å; H587-K591 WeakPolarHBondContact NE2-CE 3.24Å; H587-K591 PolarHBondContact NE2-NZ 3Å; H587-K591 WeakPolarHBondContact O-CG 3.18Å; H587-K591 PolarHBondContact O-N 3.28Å; H587-K591 VanDerWaalsContact O-N 3.1Å; H587-L698 HydrophobicContact CB-CD1 4.21Å
588	E	92.5	Very high	92.2	Very high	121 Å²	121	45.5 Å²	45.5	57%	0.565	23%	0.229	S	C	*	.	H	α-helix	trans	-65.7	-48.2	172.5	-72	173.8	-173.6	0	0	111.9	R584 Q585 M590 K591 S592	R584-E588 WeakPolarHBondContact O-CG 3.37Å; R584-E588 PolarHBondContact O-N 3.06Å; Q585-E588 PolarHBondContact O-N 3.24Å; E588-M590 VanDerWaalsContact C-N 3.34Å; E588-M590 PolarHBondContact O-N 3.4Å; E588-K591 PolarHBondContact O-N 3.13Å; E588-S592 PolarHBondContact O-N 3.45Å
589	E	91.4	Very high	91.7	Very high	67 Å²	67	44.3 Å²	44.3	31%	0.313	23%	0.228	S	C	.	.	H	α-helix	trans	-61	-43.8	178.9	-163	69.1	-133.2	0	0	111.1	R559 Q585 S592 L593 L661	R559-E589 IonicContact CZ-OE2 3.51Å; R559-E589 IonicContact NH1-OE2 2.73Å; R559-E589 PolarHBondContact NH1-OE2 2.88Å; Q585-E589 WeakPolarHBondContact O-CB 3.2Å; Q585-E589 PolarHBondContact O-N 3.03Å; E589-S592 WeakPolarHBondContact O-CB 3.5Å; E589-S592 PolarHBondContact O-N 3.12Å; E589-L593 WeakPolarHBondContact O-CB 3.47Å; E589-L593 PolarHBondContact O-N 3.1Å; E589-L661 HydrophobicContact CB-CD1 4.39Å; E589-L661 HydrophobicContact CG-CD1 4.19Å; E589-L661 HydrophobicContact CG-CD2 4.47Å
590	M	92	Very high	91.1	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-42.8	176.9	178.2	-170.3	-68.5	0	0	112.7	C586 E588 A594 L658 L661 C662 L698 L699 V702	C586-M590 WeakPolarHBondContact O-CB 3.41Å; C586-M590 PolarHBondContact O-N 3.31Å; E588-M590 VanDerWaalsContact C-N 3.34Å; E588-M590 PolarHBondContact O-N 3.4Å; M590-A594 WeakPolarHBondContact O-CB 3.47Å; M590-A594 PolarHBondContact O-N 3.14Å; M590-L658 HydrophobicContact CB-CD2 4.35Å; M590-L658 HydrophobicContact CG-CD2 3.94Å; M590-L658 VanDerWaalsContact O-CD2 3.3Å; M590-L658 WeakPolarHBondContact O-CD2 3.38Å; M590-L661 HydrophobicContact CB-CD1 4.29Å; M590-C662 WeakPolarHBondContact CE-SG 3.33Å; M590-L698 HydrophobicContact SD-CB 4.47Å; M590-L699 HydrophobicContact CE-CB 3.76Å; M590-L699 HydrophobicContact CE-CD1 4.34Å; M590-L699 HydrophobicContact CG-CD1 3.84Å; M590-L699 WeakPolarHBondContact SD-CA 3.4Å; M590-L699 HydrophobicContact SD-CB 3.74Å; M590-L699 HydrophobicContact SD-CD1 3.92Å; M590-L699 HydrophobicContact SD-CG 4.44Å; M590-L699 PolarHBondContact SD-N 3.3Å; M590-V702 HydrophobicContact CG-CB 4.32Å; M590-V702 HydrophobicContact CG-CG1 4.23Å; M590-V702 HydrophobicContact CG-CG2 4.27Å; M590-V702 HydrophobicContact SD-CB 4.3Å; M590-V702 HydrophobicContact SD-CG2 4.02Å
591	K	91.7	Very high	90.4	Very high	93 Å²	93	44.9 Å²	44.9	40%	0.404	24%	0.238	S	C	.	.	H	α-helix	trans	-62.8	-45	173.3	-80.6	174.2	169.2	166.6	0	111.9	H587 E588 Q595 V702	H587-K591 PolarHBondContact CE1-NZ 2.68Å; H587-K591 WeakPolarHBondContact NE2-CE 3.24Å; H587-K591 PolarHBondContact NE2-NZ 3Å; H587-K591 WeakPolarHBondContact O-CG 3.18Å; H587-K591 PolarHBondContact O-N 3.28Å; H587-K591 VanDerWaalsContact O-N 3.1Å; E588-K591 PolarHBondContact O-N 3.13Å; K591-Q595 WeakPolarHBondContact O-CB 3.48Å; K591-Q595 VanDerWaalsContact O-CG 3.25Å; K591-Q595 WeakPolarHBondContact O-CG 3.5Å; K591-Q595 PolarHBondContact O-N 3.16Å; K591-V702 HydrophobicContact CG-CG1 4.35Å; K591-V702 HydrophobicContact CG-CG2 3.7Å
592	S	91.3	Very high	89.7	Confident	68 Å²	68	48.1 Å²	48.1	48%	0.476	26%	0.258	S	S	.	.	H	α-helix	trans	-60.6	-49.2	177.1	-175.8	0	0	0	0	111.8	E588 E589 Q595 S596	E588-S592 PolarHBondContact O-N 3.45Å; E589-S592 WeakPolarHBondContact O-CB 3.5Å; E589-S592 PolarHBondContact O-N 3.12Å; S592-Q595 PolarHBondContact O-N 3.42Å; S592-S596 VanDerWaalsContact O-CB 3.31Å; S592-S596 WeakPolarHBondContact O-CB 3.5Å; S592-S596 PolarHBondContact O-N 2.9Å
593	L	89.8	Confident	89	Confident	53 Å²	53	54.8 Å²	54.8	28%	0.277	28%	0.281	S	S	.	.	H	α-helix	trans	-67.8	-37.1	-178.9	-177.6	59.1	0	0	0	112.3	E589 S596 S597 D657 L658 L661	E589-L593 WeakPolarHBondContact O-CB 3.47Å; E589-L593 PolarHBondContact O-N 3.1Å; L593-S596 PolarHBondContact O-N 3Å; L593-S597 VanDerWaalsContact O-CB 3.28Å; L593-S597 WeakPolarHBondContact O-CB 3.15Å; L593-S597 PolarHBondContact O-N 2.85Å; L593-S597 PolarHBondContact O-OG 3.43Å; L593-D657 HydrophobicContact CD2-CB 4.4Å; L593-L658 HydrophobicContact CB-CD2 3.78Å; L593-L658 HydrophobicContact CD2-CD2 3.89Å; L593-L658 HydrophobicContact CD2-CG 4.21Å; L593-L658 HydrophobicContact CG-CD2 3.84Å; L593-L658 HydrophobicContact CG-CG 4.27Å; L593-L661 HydrophobicContact CD2-CD1 4.12Å
594	A	89.8	Confident	88.4	Confident	2 Å²	2	60.5 Å²	60.5	2%	0.017	31%	0.307	C	S	.	.	H	α-helix	trans	-65.2	-47.3	174.3	0	0	0	0	0	111.6	M590 S596 S597 H598 L658 V702 M706	M590-A594 WeakPolarHBondContact O-CB 3.47Å; M590-A594 PolarHBondContact O-N 3.14Å; A594-S596 VanDerWaalsContact C-N 3.35Å; A594-S596 PolarHBondContact O-N 2.85Å; A594-S597 PolarHBondContact O-N 3.41Å; A594-H598 WeakPolarHBondContact O-CB 3.27Å; A594-H598 PolarHBondContact O-N 3.04Å; A594-L658 HydrophobicContact CB-CD1 4.06Å; A594-L658 HydrophobicContact CB-CD2 4.23Å; A594-V702 HydrophobicContact CB-CG1 3.64Å; A594-M706 HydrophobicContact CB-SD 3.99Å
595	Q	89.3	Confident	87.5	Confident	140 Å²	140	57.5 Å²	57.5	65%	0.654	30%	0.3	S	S	*	.	H	α-helix	trans	-61.2	-42	175.3	-72.7	174.3	5.4	0	0	112.1	K591 S592 A599	K591-Q595 WeakPolarHBondContact O-CB 3.48Å; K591-Q595 VanDerWaalsContact O-CG 3.25Å; K591-Q595 WeakPolarHBondContact O-CG 3.5Å; K591-Q595 PolarHBondContact O-N 3.16Å; S592-Q595 PolarHBondContact O-N 3.42Å; Q595-A599 VanDerWaalsContact O-CB 3.28Å; Q595-A599 WeakPolarHBondContact O-CB 3.48Å; Q595-A599 PolarHBondContact O-N 3.48Å
596	S	88.6	Confident	86.8	Confident	68 Å²	68	59.4 Å²	59.4	48%	0.476	32%	0.32	S	S	.	.	H	α-helix	trans	-63.7	-45.4	176.7	-171.5	0	0	0	0	111.8	S592 L593 A594 A599 A600	S592-S596 VanDerWaalsContact O-CB 3.31Å; S592-S596 WeakPolarHBondContact O-CB 3.5Å; S592-S596 PolarHBondContact O-N 2.9Å; L593-S596 PolarHBondContact O-N 3Å; A594-S596 VanDerWaalsContact C-N 3.35Å; A594-S596 PolarHBondContact O-N 2.85Å; S596-A599 PolarHBondContact O-N 2.8Å; S596-A600 WeakPolarHBondContact O-CB 3.09Å; S596-A600 PolarHBondContact O-N 2.91Å
597	S	86.4	Confident	86	Confident	16 Å²	16	61.4 Å²	61.4	11%	0.112	34%	0.337	C	S	.	.	H	α-helix	trans	-63.7	-44.2	178	-58.8	0	0	0	0	111.7	L593 A594 A600 A601	L593-S597 VanDerWaalsContact O-CB 3.28Å; L593-S597 WeakPolarHBondContact O-CB 3.15Å; L593-S597 PolarHBondContact O-N 2.85Å; L593-S597 PolarHBondContact O-OG 3.43Å; A594-S597 PolarHBondContact O-N 3.41Å; S597-A600 PolarHBondContact O-N 3.38Å; S597-A601 WeakPolarHBondContact O-CB 3.16Å; S597-A601 PolarHBondContact O-N 3.4Å
598	H	84.3	Confident	85.2	Confident	67 Å²	67	65.5 Å²	65.5	31%	0.31	36%	0.363	S	S	.	.	H	α-helix	trans	-62	-47	173.8	177.2	-104.4	0	0	0	111.7	A594 A600 A601 V602 M706	A594-H598 WeakPolarHBondContact O-CB 3.27Å; A594-H598 PolarHBondContact O-N 3.04Å; H598-A600 VanDerWaalsContact C-N 3.3Å; H598-A600 PolarHBondContact O-N 3.11Å; H598-A601 PolarHBondContact O-N 3.48Å; H598-V602 WeakPolarHBondContact O-CG2 3.35Å; H598-V602 PolarHBondContact O-N 3.31Å; H598-M706 HydrophobicContact CB-SD 4.46Å
599	A	86.1	Confident	83.9	Confident	31 Å²	31	64.8 Å²	64.8	26%	0.256	37%	0.367	S	S	.	.	H	α-helix	trans	-63.5	-34.1	177	0	0	0	0	0	112.6	Q595 S596 R603	Q595-A599 VanDerWaalsContact O-CB 3.28Å; Q595-A599 WeakPolarHBondContact O-CB 3.48Å; Q595-A599 PolarHBondContact O-N 3.48Å; S596-A599 PolarHBondContact O-N 2.8Å; A599-R603 VanDerWaalsContact O-CG 3.26Å; A599-R603 WeakPolarHBondContact O-CG 3.09Å; A599-R603 PolarHBondContact O-N 3.39Å
600	A	85.4	Confident	81.9	Confident	34 Å²	34	63.9 Å²	63.9	28%	0.281	38%	0.376	S	S	.	.	H	α-helix	trans	-66.4	-45.9	172.4	0	0	0	0	0	111.6	S596 S597 H598 V602 R603 Q604	S596-A600 WeakPolarHBondContact O-CB 3.09Å; S596-A600 PolarHBondContact O-N 2.91Å; S597-A600 PolarHBondContact O-N 3.38Å; H598-A600 VanDerWaalsContact C-N 3.3Å; H598-A600 PolarHBondContact O-N 3.11Å; A600-V602 PolarHBondContact O-N 2.87Å; A600-R603 PolarHBondContact O-N 3.35Å; A600-Q604 WeakPolarHBondContact O-CG 3.42Å; A600-Q604 PolarHBondContact O-N 2.86Å
601	A	82.9	Confident	79.6	Confident	9 Å²	9	68.3 Å²	68.3	7%	0.074	41%	0.407	C	S	.	.	H	α-helix	trans	-61.7	-41.1	176.6	0	0	0	0	0	112.3	S597 H598 Q604 A605 A649 V653	S597-A601 WeakPolarHBondContact O-CB 3.16Å; S597-A601 PolarHBondContact O-N 3.4Å; H598-A601 PolarHBondContact O-N 3.48Å; A601-Q604 PolarHBondContact O-N 3.5Å; A601-A605 WeakPolarHBondContact O-CB 3.35Å; A601-A605 PolarHBondContact O-N 2.98Å; A601-A649 HydrophobicContact CB-CB 4.16Å; A601-V653 HydrophobicContact CB-CG2 4.31Å
602	V	81.6	Confident	77.3	Confident	73 Å²	73	68.8 Å²	68.8	44%	0.442	42%	0.419	S	S	.	.	H	α-helix	trans	-63.9	-42.7	174.4	171.8	0	0	0	0	111.6	H598 A600 A605 A606	H598-V602 WeakPolarHBondContact O-CG2 3.35Å; H598-V602 PolarHBondContact O-N 3.31Å; A600-V602 PolarHBondContact O-N 2.87Å; V602-A605 PolarHBondContact O-N 3.47Å; V602-A606 WeakPolarHBondContact O-CB 3.32Å; V602-A606 PolarHBondContact O-N 3.21Å
603	R	80.9	Confident	74.8	Confident	171 Å²	171	69.5 Å²	69.5	65%	0.645	42%	0.421	S	S	*	.	H	α-helix	trans	-63.6	-40.7	174.7	-72.9	176.1	-162.1	118.3	-2.6	112	A599 A600 A606 A607	A599-R603 VanDerWaalsContact O-CG 3.26Å; A599-R603 WeakPolarHBondContact O-CG 3.09Å; A599-R603 PolarHBondContact O-N 3.39Å; A600-R603 PolarHBondContact O-N 3.35Å; R603-A606 PolarHBondContact O-N 3.34Å; R603-A607 VanDerWaalsContact O-CB 3.29Å; R603-A607 WeakPolarHBondContact O-CB 3.41Å; R603-A607 PolarHBondContact O-N 2.89Å
604	Q	81.6	Confident	72.4	Confident	123 Å²	123	73.7 Å²	73.7	58%	0.575	45%	0.449	S	S	*	.	H	α-helix	trans	-63.2	-44.6	175.4	-74.8	172.5	-17.8	0	0	111.2	A600 A601 A607 V608	A600-Q604 WeakPolarHBondContact O-CG 3.42Å; A600-Q604 PolarHBondContact O-N 2.86Å; A601-Q604 PolarHBondContact O-N 3.5Å; Q604-A607 PolarHBondContact O-N 3.27Å; Q604-V608 WeakPolarHBondContact O-CG2 3.42Å; Q604-V608 PolarHBondContact O-N 3.07Å; Q604-V608 VanDerWaalsContact O-N 3.11Å
605	A	74.4	Confident	70.2	Confident	18 Å²	18	77.8 Å²	77.8	15%	0.149	48%	0.477	C	S	.	.	H	α-helix	trans	-59.4	-50.8	175.1	0	0	0	0	0	111.5	A601 V602 A607 V608 V609 I647	A601-A605 WeakPolarHBondContact O-CB 3.35Å; A601-A605 PolarHBondContact O-N 2.98Å; V602-A605 PolarHBondContact O-N 3.47Å; A605-A607 VanDerWaalsContact C-N 3.3Å; A605-A607 PolarHBondContact O-N 3.33Å; A605-V608 PolarHBondContact O-N 3.08Å; A605-V608 VanDerWaalsContact O-N 3.07Å; A605-V609 WeakPolarHBondContact O-CG2 3.34Å; A605-V609 PolarHBondContact O-N 3.08Å; A605-I647 HydrophobicContact CB-CB 4.33Å; A605-I647 HydrophobicContact CB-CG2 3.69Å
606	A	77.2	Confident	68	Low	65 Å²	65	75.7 Å²	75.7	54%	0.537	47%	0.47	S	S	.	.	H	α-helix	trans	-59.7	-37.3	177.6	0	0	0	0	0	113.2	V602 R603 V608 V609	V602-A606 WeakPolarHBondContact O-CB 3.32Å; V602-A606 PolarHBondContact O-N 3.21Å; R603-A606 PolarHBondContact O-N 3.34Å; A606-V608 VanDerWaalsContact C-N 3.3Å; A606-V608 PolarHBondContact O-N 3.46Å; A606-V609 PolarHBondContact O-N 3.03Å
607	A	77	Confident	65.8	Low	51 Å²	51	79.2 Å²	79.2	42%	0.421	48%	0.483	S	S	.	.	H	α-helix	trans	-68.5	-27	176.7	0	0	0	0	0	113.2	Q16 R603 Q604 A605	Q16-A607 PolarHBondContact NE2-O 3.3Å; R603-A607 VanDerWaalsContact O-CB 3.29Å; R603-A607 WeakPolarHBondContact O-CB 3.41Å; R603-A607 PolarHBondContact O-N 2.89Å; Q604-A607 PolarHBondContact O-N 3.27Å; A605-A607 VanDerWaalsContact C-N 3.3Å; A605-A607 PolarHBondContact O-N 3.33Å
608	V	75.2	Confident	63.5	Low	104 Å²	104	85.9 Å²	85.9	63%	0.63	52%	0.517	S	S	*	.	H	α-helix	trans	-83.8	-30.4	175.7	175.2	0	0	0	0	112.3	Q604 A605 A606 G610 I647	Q604-V608 WeakPolarHBondContact O-CG2 3.42Å; Q604-V608 PolarHBondContact O-N 3.07Å; Q604-V608 VanDerWaalsContact O-N 3.11Å; A605-V608 PolarHBondContact O-N 3.08Å; A605-V608 VanDerWaalsContact O-N 3.07Å; A606-V608 VanDerWaalsContact C-N 3.3Å; A606-V608 PolarHBondContact O-N 3.46Å; V608-G610 PolarHBondContact O-N 2.83Å; V608-I647 HydrophobicContact CB-CD1 3.94Å; V608-I647 HydrophobicContact CG1-CD1 3.77Å
609	V	65.8	Low	61.4	Low	107 Å²	107	87.1 Å²	87.1	65%	0.648	53%	0.533	S	S	*	.	H	α-helix	trans	-57.5	-31.2	174.2	176.2	0	0	0	0	111.8	A605 A606 I647	A605-V609 WeakPolarHBondContact O-CG2 3.34Å; A605-V609 PolarHBondContact O-N 3.08Å; A606-V609 PolarHBondContact O-N 3.03Å; V609-I647 HydrophobicContact CG2-CD1 3.56Å; V609-I647 HydrophobicContact CG2-CG1 4.42Å
610	G	48	Very low	59.2	Low	48 Å²	48	93.4 Å²	93.4	50%	0.495	56%	0.557	S	S	.	*			trans	72	97.3	168.2	0	0	0	0	0	114.1	V608	V608-G610 PolarHBondContact O-N 2.83Å
611	S	45.3	Very low	56.9	Low	94 Å²	94	98.7 Å²	98.7	66%	0.657	58%	0.58	S	S	*	*			trans	70.2	104.8	170.1	-171	0	0	0	0	116.7	T613	S611-T613 PolarHBondContact O-N 3Å
612	P	41.7	Very low	54.6	Low	102 Å²	102	104.6 Å²	104.6	66%	0.662	62%	0.617	S	S	*	*			trans	-62.1	115.9	140.5	29.3	-30.5	0	0	0	107.5	T614	P612-T614 PolarHBondContact O-N 3.39Å
613	T	39.1	Very low	52.6	Low	84 Å²	84	105 Å²	105	52%	0.515	64%	0.636	S	S	.	*			trans	-60.9	108.8	159.6	46.3	0	0	0	0	106.8	S611 S615 D616	S611-T613 PolarHBondContact O-N 3Å; T613-S615 PolarHBondContact O-N 2.83Å; T613-D616 WeakPolarHBondContact CB-OD2 3.44Å; T613-D616 PolarHBondContact O-N 3.49Å; T613-D616 PolarHBondContact OG1-OD2 3.15Å
614	T	39.3	Very low	50.6	Low	141 Å²	141	101.6 Å²	101.6	87%	0.865	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	67.4	176.5	51.6	0	0	0	0	109.3	P612	P612-T614 PolarHBondContact O-N 3.39Å
615	S	43.4	Very low	48.7	Very low	88 Å²	88	104.1 Å²	104.1	62%	0.615	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-159.7	-42.8	-177.9	-178.6	0	0	0	0	110.9	T613	T613-S615 PolarHBondContact O-N 2.83Å
616	D	44.5	Very low	46.8	Very low	95 Å²	95	108.8 Å²	108.8	51%	0.508	69%	0.69	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.2	-3.2	-160.5	-55.5	-53.3	0	0	0	116	T613 S619	T613-D616 WeakPolarHBondContact CB-OD2 3.44Å; T613-D616 PolarHBondContact O-N 3.49Å; T613-D616 PolarHBondContact OG1-OD2 3.15Å; D616-S619 PolarHBondContact O-OG 3.35Å
617	L	42.6	Very low	45.1	Very low	142 Å²	142	114.2 Å²	114.2	74%	0.743	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	17.4	178	-76.3	172.4	0	0	0	114.3
618	L	37.4	Very low	43.3	Very low	156 Å²	156	114.8 Å²	114.8	82%	0.817	72%	0.721	S	S	*	*	S	Bend	trans	-105	8.1	174.7	-119.6	144.8	0	0	0	113.4
619	S	40.5	Very low	41.6	Very low	94 Å²	94	114.8 Å²	114.8	66%	0.657	73%	0.725	S	S	*	*	S	Bend	trans	-110	1.7	-174.7	55.7	0	0	0	0	114.9	D616	D616-S619 PolarHBondContact O-OG 3.35Å
620	Q	39.5	Very low	40.5	Very low	162 Å²	162	116.7 Å²	116.7	76%	0.757	73%	0.731	S	S	*	*			trans	-101.4	13.4	179.1	-62.2	-170.4	14.9	0	0	114
621	L	37.4	Very low	40	Very low	146 Å²	146	123.2 Å²	123.2	76%	0.764	75%	0.749	S	S	*	*	S	Bend	trans	-92.5	121.6	166.6	-86.1	160.7	0	0	0	109.7	G623	L621-G623 PolarHBondContact O-N 3.11Å
622	P	34.5	Very low	39.5	Very low	132 Å²	132	123.5 Å²	123.5	86%	0.857	76%	0.757	S	S	*	*	S	Bend	trans	-75.8	110.4	179.5	29.6	-32.7	0	0	0	110.6
623	G	39	Very low	39.4	Very low	81 Å²	81	123.2 Å²	123.2	84%	0.835	76%	0.764	S	S	*	*			trans	160.3	16.9	170.7	0	0	0	0	0	121.3	L621	L621-G623 PolarHBondContact O-N 3.11Å
624	A	40.2	Very low	39.4	Very low	101 Å²	101	125.8 Å²	125.8	84%	0.835	78%	0.782	S	S	*	*			trans	-130	142.2	178.3	0	0	0	0	0	113.5
625	L	41	Very low	39.1	Very low	175 Å²	175	122.4 Å²	122.4	92%	0.916	78%	0.775	S	S	*	*			trans	-85.5	149.4	-165.4	-62.8	163.8	0	0	0	113.5
626	P	35	Very low	38.6	Very low	117 Å²	117	124 Å²	124	76%	0.76	79%	0.786	S	S	*	*			trans	-92.7	145.6	176.9	36	-33	0	0	0	112.9
627	L	40.9	Very low	38	Very low	178 Å²	178	127.7 Å²	127.7	93%	0.932	81%	0.805	S	S	*	*			trans	-146.3	128.9	170.5	-140.1	81.4	0	0	0	113
628	G	38.5	Very low	37.9	Very low	64 Å²	64	126.8 Å²	126.8	66%	0.66	81%	0.807	S	S	*	*			trans	46.8	103	158.1	0	0	0	0	0	120
629	S	40.3	Very low	37.7	Very low	104 Å²	104	122.1 Å²	122.1	73%	0.727	80%	0.797	S	S	*	*				79	103.7	71.8	71.5	0	0	0	0	116.2
630	N	41.6	Very low	37.1	Very low	146 Å²	146	124.6 Å²	124.6	78%	0.781	81%	0.808	S	S	*	*				175.9	127.5	109.2	-87.3	-26.6	0	0	0	115.3
631	Q	38.3	Very low	36.8	Very low	186 Å²	186	124.1 Å²	124.1	87%	0.869	81%	0.81	S	S	*	*			trans	20.4	117.8	147	-56.7	178.2	25.1	0	0	121.7
632	A	35.6	Very low	36.4	Very low	99 Å²	99	120.6 Å²	120.6	82%	0.818	81%	0.809	S	S	*	*				172.3	98.9	120.7	0	0	0	0	0	108.8
633	A	39.7	Very low	36.3	Very low	97 Å²	97	119.7 Å²	119.7	80%	0.802	80%	0.801	S	S	*	*				105.5	143.6	91.8	0	0	0	0	0	110.6
634	P	38.5	Very low	36	Very low	138 Å²	138	119.7 Å²	119.7	90%	0.896	80%	0.801	S	S	*	*			trans	-101	142.7	-154.5	36.7	-33.1	0	0	0	114.4
635	G	32.5	Very low	36	Very low	70 Å²	70	118.6 Å²	118.6	72%	0.722	79%	0.792	S	S	*	*			trans	-178	139.4	169.2	0	0	0	0	0	114.4
636	S	33.7	Very low	36	Very low	120 Å²	120	114.7 Å²	114.7	84%	0.839	78%	0.779	S	S	*	*			trans	71.6	107	162.2	-53.7	0	0	0	0	118.4
637	L	32.4	Very low	36.5	Very low	174 Å²	174	112.4 Å²	112.4	91%	0.911	76%	0.76	S	S	*	*			trans	-66	142.7	164.7	-62.2	116.1	0	0	0	111.8
638	P	38.7	Very low	36.7	Very low	123 Å²	123	110.3 Å²	110.3	80%	0.799	75%	0.747	S	S	*	*			trans	-107.2	125.3	134.2	32	-23.7	0	0	0	107.7
639	G	33.7	Very low	37.3	Very low	58 Å²	58	108.5 Å²	108.5	60%	0.598	73%	0.726	S	S	*	*			cis	102.6	70.8	43.7	0	0	0	0	0	107.5	L641	G639-L641 PolarHBondContact O-N 2.54Å
640	T	28.5	Very low	37.9	Very low	145 Å²	145	108.3 Å²	108.3	89%	0.89	72%	0.72	S	S	*	*			trans	-57.1	100.9	-169.9	-55	0	0	0	0	113.1	G642	T640-G642 PolarHBondContact O-N 3.07Å
641	L	33.2	Very low	38.5	Very low	152 Å²	152	105.7 Å²	105.7	80%	0.796	72%	0.719	S	S	*	*			trans	-95.6	84.2	166.5	-92.6	144.6	0	0	0	109.9	G639 T643	G639-L641 PolarHBondContact O-N 2.54Å; L641-T643 HydrophobicContact CD2-CG2 4.21Å; L641-T643 PolarHBondContact O-N 2.92Å
642	G	29.4	Very low	39.5	Very low	73 Å²	73	98.8 Å²	98.8	75%	0.753	70%	0.698	S	S	*	*			trans	-76.7	68.9	170.6	0	0	0	0	0	112.1	T640 G644	T640-G642 PolarHBondContact O-N 3.07Å; G642-G644 VanDerWaalsContact C-N 3.31Å; G642-G644 PolarHBondContact O-N 2.84Å; G642-G644 VanDerWaalsContact O-N 3.1Å
643	T	32.3	Very low	41	Very low	113 Å²	113	96.7 Å²	96.7	69%	0.693	68%	0.675	S	S	*	*			trans	-84.7	73	173.6	48	0	0	0	0	111	L641 A645	L641-T643 HydrophobicContact CD2-CG2 4.21Å; L641-T643 PolarHBondContact O-N 2.92Å; T643-A645 PolarHBondContact O-N 2.89Å
644	G	32.8	Very low	42.8	Very low	80 Å²	80	92.8 Å²	92.8	83%	0.825	64%	0.644	S	S	*	*			trans	-71.2	40.6	171.1	0	0	0	0	0	113.8	G642 S646	G642-G644 VanDerWaalsContact C-N 3.31Å; G642-G644 PolarHBondContact O-N 2.84Å; G642-G644 VanDerWaalsContact O-N 3.1Å; G644-S646 PolarHBondContact O-N 3.16Å
645	A	38.9	Very low	45.1	Very low	79 Å²	79	88.3 Å²	88.3	65%	0.653	61%	0.614	S	S	*	*			trans	-74.1	90.9	178	0	0	0	0	0	109.2	T643 I647	T643-A645 PolarHBondContact O-N 2.89Å; A645-I647 PolarHBondContact O-N 3.06Å
646	S	41.2	Very low	47.7	Very low	92 Å²	92	90.3 Å²	90.3	64%	0.643	61%	0.608	S	S	*	*			trans	-58.8	104.3	168.9	-176.6	0	0	0	0	108.6	G644 M648	G644-S646 PolarHBondContact O-N 3.16Å; S646-M648 PolarHBondContact O-N 3.19Å
647	I	45.6	Very low	50.2	Low	70 Å²	70	88.6 Å²	88.6	36%	0.359	59%	0.59	S	S	.	*			trans	-74.6	81.8	173.2	-51.5	-170	0	0	0	107.2	A605 V608 V609 A645 A649	A605-I647 HydrophobicContact CB-CB 4.33Å; A605-I647 HydrophobicContact CB-CG2 3.69Å; V608-I647 HydrophobicContact CB-CD1 3.94Å; V608-I647 HydrophobicContact CG1-CD1 3.77Å; V609-I647 HydrophobicContact CG2-CD1 3.56Å; V609-I647 HydrophobicContact CG2-CG1 4.42Å; A645-I647 PolarHBondContact O-N 3.06Å; I647-A649 PolarHBondContact O-N 2.65Å
648	M	46.6	Very low	53	Low	134 Å²	134	80.4 Å²	80.4	66%	0.66	55%	0.547	S	S	*	.			trans	-64.1	106	170.4	-67	-159.4	-70	0	0	107.8	S646 T650	S646-M648 PolarHBondContact O-N 3.19Å; M648-T650 PolarHBondContact O-N 3.35Å
649	A	50.9	Low	55.5	Low	25 Å²	25	79.6 Å²	79.6	21%	0.207	53%	0.528	C	S	.	.			trans	-50.2	114.4	159.8	0	0	0	0	0	106.9	A601 I647 A651	A601-A649 HydrophobicContact CB-CB 4.16Å; I647-A649 PolarHBondContact O-N 2.65Å; A649-A651 PolarHBondContact O-N 2.89Å
650	T	52	Low	58.3	Low	100 Å²	100	81.1 Å²	81.1	61%	0.613	52%	0.515	S	S	*	.			trans	-61.1	122.6	-170.9	45.7	0	0	0	0	109	M648 G652 V653	M648-T650 PolarHBondContact O-N 3.35Å; T650-G652 PolarHBondContact O-N 3.35Å; T650-V653 WeakPolarHBondContact O-CG2 3.47Å; T650-V653 PolarHBondContact O-N 3.21Å; T650-V653 WeakPolarHBondContact OG1-CG2 3.14Å
651	A	54.2	Low	61.4	Low	92 Å²	92	75.1 Å²	75.1	76%	0.76	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	20.3	-166.6	0	0	0	0	0	116.1	A649	A649-A651 PolarHBondContact O-N 2.89Å
652	G	59.9	Low	64.3	Low	41 Å²	41	67.9 Å²	67.9	42%	0.423	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.1	12.2	179.2	0	0	0	0	0	115.3	T650 G654 V655	T650-G652 PolarHBondContact O-N 3.35Å; G652-G654 PolarHBondContact O-N 2.85Å; G652-G654 VanDerWaalsContact O-N 3.13Å; G652-V655 PolarHBondContact O-N 2.74Å
653	V	65.7	Low	67.4	Low	55 Å²	55	65.5 Å²	65.5	33%	0.333	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	118.4	176.4	-176.7	0	0	0	0	109.9	A601 T650	A601-V653 HydrophobicContact CB-CG2 4.31Å; T650-V653 WeakPolarHBondContact O-CG2 3.47Å; T650-V653 PolarHBondContact O-N 3.21Å; T650-V653 WeakPolarHBondContact OG1-CG2 3.14Å
654	G	78.5	Confident	70.5	Confident	14 Å²	14	60.4 Å²	60.4	14%	0.144	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-0.4	177.2	0	0	0	0	0	115.9	G652 D656 D657 L658	G652-G654 PolarHBondContact O-N 2.85Å; G652-G654 VanDerWaalsContact O-N 3.13Å; G654-D656 VanDerWaalsContact C-N 3.34Å; G654-D656 PolarHBondContact O-N 3.12Å; G654-D657 PolarHBondContact O-N 3.37Å; G654-L658 WeakPolarHBondContact O-CG 3.43Å; G654-L658 PolarHBondContact O-N 3.19Å
655	V	86.4	Confident	73.6	Confident	45 Å²	45	59 Å²	59	27%	0.273	35%	0.348	S	S	.	.	H	α-helix	trans	-63.6	-37.4	-177.5	175	0	0	0	0	112.5	G652 D657 L658 R659 L703	G652-V655 PolarHBondContact O-N 2.74Å; V655-D657 VanDerWaalsContact C-N 3.35Å; V655-D657 PolarHBondContact O-N 3.44Å; V655-L658 PolarHBondContact O-N 2.8Å; V655-R659 WeakPolarHBondContact O-CB 3.41Å; V655-R659 PolarHBondContact O-N 3.34Å; V655-L703 HydrophobicContact CG1-CD1 4.21Å; V655-L703 HydrophobicContact CG2-CD1 4.35Å; V655-L703 HydrophobicContact CG2-CD2 3.96Å
656	D	87	Confident	76.3	Confident	111 Å²	111	55.4 Å²	55.4	59%	0.594	32%	0.317	S	S	*	.	H	α-helix	trans	-62.5	-41.1	175.4	-74.2	-58.5	0	0	0	112.3	G654 R659 R660	G654-D656 VanDerWaalsContact C-N 3.34Å; G654-D656 PolarHBondContact O-N 3.12Å; D656-R659 PolarHBondContact O-N 2.85Å; D656-R660 WeakPolarHBondContact O-CG 3.42Å; D656-R660 PolarHBondContact O-N 3.31Å
657	D	86.6	Confident	79	Confident	85 Å²	85	51 Å²	51	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-73.8	-36.3	-178.6	-59.8	-41.2	0	0	0	111.6	L593 G654 V655 R660	L593-D657 HydrophobicContact CD2-CB 4.4Å; G654-D657 PolarHBondContact O-N 3.37Å; V655-D657 VanDerWaalsContact C-N 3.35Å; V655-D657 PolarHBondContact O-N 3.44Å; D657-R660 WeakPolarHBondContact O-CB 3.47Å; D657-R660 PolarHBondContact O-N 2.84Å; D657-R660 IonicContact OD1-NE 3.29Å; D657-R660 PolarHBondContact OD1-NE 3.27Å
658	L	90.1	Very high	81.5	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-43.6	168.4	-70.8	165.3	0	0	0	111.8	M590 L593 A594 G654 V655 R660 L661 L699 L703	M590-L658 HydrophobicContact CB-CD2 4.35Å; M590-L658 HydrophobicContact CG-CD2 3.94Å; M590-L658 VanDerWaalsContact O-CD2 3.3Å; M590-L658 WeakPolarHBondContact O-CD2 3.38Å; L593-L658 HydrophobicContact CB-CD2 3.78Å; L593-L658 HydrophobicContact CD2-CD2 3.89Å; L593-L658 HydrophobicContact CD2-CG 4.21Å; L593-L658 HydrophobicContact CG-CD2 3.84Å; L593-L658 HydrophobicContact CG-CG 4.27Å; A594-L658 HydrophobicContact CB-CD1 4.06Å; A594-L658 HydrophobicContact CB-CD2 4.23Å; G654-L658 WeakPolarHBondContact O-CG 3.43Å; G654-L658 PolarHBondContact O-N 3.19Å; V655-L658 PolarHBondContact O-N 2.8Å; L658-R660 VanDerWaalsContact C-N 3.29Å; L658-R660 PolarHBondContact O-N 2.78Å; L658-L661 WeakPolarHBondContact O-CB 3.31Å; L658-L661 PolarHBondContact O-N 3.44Å; L658-L699 HydrophobicContact CB-CD1 3.63Å; L658-L699 HydrophobicContact CB-CD2 4.25Å; L658-L699 HydrophobicContact CD1-CD1 4.16Å; L658-L699 HydrophobicContact CD2-CD1 4.45Å; L658-L699 HydrophobicContact CG-CD1 4.31Å; L658-L703 HydrophobicContact CD1-CD2 3.93Å
659	R	92.4	Very high	83.8	Confident	106 Å²	106	42.2 Å²	42.2	40%	0.4	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-35.2	177.3	-177.6	177.5	176.2	136.3	3.8	112.1	V655 D656 L661 C662 M663 Q691 L696 L699	V655-R659 WeakPolarHBondContact O-CB 3.41Å; V655-R659 PolarHBondContact O-N 3.34Å; D656-R659 PolarHBondContact O-N 2.85Å; R659-L661 PolarHBondContact O-N 2.89Å; R659-C662 PolarHBondContact O-N 2.85Å; R659-C662 VanDerWaalsContact O-N 3.1Å; R659-M663 HydrophobicContact CG-SD 4.1Å; R659-M663 WeakPolarHBondContact O-CG 3.32Å; R659-Q691 VanDerWaalsContact NH2-OE1 3.15Å; R659-L696 HydrophobicContact CG-CD2 4.14Å; R659-L699 HydrophobicContact CB-CD2 4.24Å
660	R	92.5	Very high	86	Confident	90 Å²	90	44.2 Å²	44.2	34%	0.34	25%	0.248	S	C	.	.	H	α-helix	trans	-60.7	-31.6	176.4	-70.7	170.6	-156.7	-62.7	-7	112.8	Y555 D656 D657 L658 C662 M663	Y555-R660 HydrophobicContact CE2-CB 3.79Å; Y555-R660 VanDerWaalsContact CE2-O 3.29Å; Y555-R660 WeakPolarHBondContact CE2-O 3.45Å; D656-R660 WeakPolarHBondContact O-CG 3.42Å; D656-R660 PolarHBondContact O-N 3.31Å; D657-R660 WeakPolarHBondContact O-CB 3.47Å; D657-R660 PolarHBondContact O-N 2.84Å; D657-R660 IonicContact OD1-NE 3.29Å; D657-R660 PolarHBondContact OD1-NE 3.27Å; L658-R660 VanDerWaalsContact C-N 3.29Å; L658-R660 PolarHBondContact O-N 2.78Å; R660-C662 PolarHBondContact O-N 2.92Å; R660-M663 PolarHBondContact O-N 3.07Å
661	L	92.3	Very high	88.1	Confident	19 Å²	19	39.5 Å²	39.5	10%	0.099	22%	0.219	C	C	.	.	H	α-helix	trans	-61.2	-34	175.6	-59	176.8	0	0	0	111.7	Y555 F581 E589 M590 L593 L658 R659 M663	Y555-L661 HydrophobicContact CD1-CD2 4.14Å; Y555-L661 HydrophobicContact CD2-CD2 4.13Å; Y555-L661 HydrophobicContact CG-CD2 3.85Å; F581-L661 WeakPolarHBondContact CE2-O 3.44Å; E589-L661 HydrophobicContact CB-CD1 4.39Å; E589-L661 HydrophobicContact CG-CD1 4.19Å; E589-L661 HydrophobicContact CG-CD2 4.47Å; M590-L661 HydrophobicContact CB-CD1 4.29Å; L593-L661 HydrophobicContact CD2-CD1 4.12Å; L658-L661 WeakPolarHBondContact O-CB 3.31Å; L658-L661 PolarHBondContact O-N 3.44Å; R659-L661 PolarHBondContact O-N 2.89Å; L661-M663 PolarHBondContact O-N 2.9Å
662	C	94.8	Very high	90.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	12.6	179.4	-54.8	0	0	0	0	114.1	M590 R659 R660 L692 P695 L696	M590-C662 WeakPolarHBondContact CE-SG 3.33Å; R659-C662 PolarHBondContact O-N 2.85Å; R659-C662 VanDerWaalsContact O-N 3.1Å; R660-C662 PolarHBondContact O-N 2.92Å; C662-L692 PolarHBondContact O-N 2.81Å; C662-P695 HydrophobicContact CB-CB 3.9Å; C662-P695 VanDerWaalsContact SG-C 3.59Å; C662-P695 PolarHBondContact SG-O 2.8Å; C662-L696 HydrophobicContact CB-CD2 3.68Å; C662-L696 HydrophobicContact CB-CG 3.82Å
663	M	95.1	Very high	91.7	Very high	23 Å²	23	34.5 Å²	34.5	11%	0.113	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.1	-173.7	-67	171.7	44.2	0	0	111.5	R659 R660 L661 E689 I690 Q691	R659-M663 HydrophobicContact CG-SD 4.1Å; R659-M663 WeakPolarHBondContact O-CG 3.32Å; R660-M663 PolarHBondContact O-N 3.07Å; L661-M663 PolarHBondContact O-N 2.9Å; M663-E689 HydrophobicContact CE-CG 3.9Å; M663-E689 WeakPolarHBondContact CE-OE1 3.34Å; M663-E689 VanDerWaalsContact CE-OE2 3.22Å; M663-E689 WeakPolarHBondContact CE-OE2 3.16Å; M663-I690 WeakPolarHBondContact CA-O 3.47Å; M663-Q691 HydrophobicContact CG-CG 4.28Å
664	L	96.8	Very high	92.9	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	147.3	169.4	-60.7	171.9	0	0	0	109.2	V540 V580 F581 I690 L692	V540-L664 HydrophobicContact CB-CD1 4.32Å; V540-L664 HydrophobicContact CG1-CD1 4.27Å; V580-L664 HydrophobicContact CG2-CD1 3.79Å; F581-L664 HydrophobicContact CB-CD1 4.23Å; F581-L664 HydrophobicContact CB-CD2 4.44Å; L664-I690 HydrophobicContact CB-CB 4.27Å; L664-I690 HydrophobicContact CB-CD1 4.3Å; L664-I690 PolarHBondContact N-O 3.26Å; L664-I690 PolarHBondContact O-N 2.9Å; L664-L692 HydrophobicContact CD1-CD1 4.22Å; L664-L692 HydrophobicContact CG-CD1 4.37Å
665	R	97.6	Very high	93.5	Very high	50 Å²	50	42.5 Å²	42.5	19%	0.189	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	142	171.5	-67.1	-178.2	174.6	149.5	-3.9	111.1	V552 Q553 I681 W687 I688 E689	V552-R665 CarbonylContact C-O 3.58Å; V552-R665 WeakPolarHBondContact CA-O 3.47Å; Q553-R665 HydrophobicContact CB-CB 4.12Å; Q553-R665 PolarHBondContact N-O 3.24Å; Q553-R665 PolarHBondContact O-N 3.37Å; R665-I681 HydrophobicContact CB-CD1 3.7Å; R665-W687 HydrophobicContact CG-CZ3 4.38Å; R665-I688 WeakPolarHBondContact CA-O 3.43Å; R665-E689 HydrophobicContact CG-CB 4.32Å; R665-E689 HydrophobicContact CG-CG 4.07Å; R665-E689 IonicContact CZ-OE2 3.75Å; R665-E689 IonicContact NE-OE2 2.68Å; R665-E689 PolarHBondContact NE-OE2 3.16Å; R665-E689 IonicContact NH2-OE2 3.61Å; R665-E689 PolarHBondContact NH2-OE2 3.02Å
666	L	97	Very high	93.9	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	130.9	-178.6	175	151.7	0	0	0	111.2	V530 I542 V550 F551 V552 F668 W687 I688	V530-L666 HydrophobicContact CG1-CD1 4.07Å; V530-L666 HydrophobicContact CG2-CD1 4.28Å; I542-L666 HydrophobicContact CD1-CD1 3.24Å; V550-L666 HydrophobicContact CB-CD1 3.88Å; V550-L666 HydrophobicContact CB-CD2 4.2Å; V550-L666 HydrophobicContact CB-CG 4.06Å; V550-L666 HydrophobicContact CG1-CD1 4.45Å; V550-L666 HydrophobicContact CG1-CD2 4.3Å; V550-L666 HydrophobicContact CG2-CD1 3.81Å; V550-L666 HydrophobicContact CG2-CG 4.49Å; F551-L666 CarbonylContact O-C 3.56Å; F551-L666 VanDerWaalsContact O-CA 3.29Å; F551-L666 WeakPolarHBondContact O-CA 3.4Å; V552-L666 HydrophobicContact CG2-CB 4.48Å; V552-L666 HydrophobicContact CG2-CD1 3.96Å; V552-L666 HydrophobicContact CG2-CG 4.36Å; L666-F668 HydrophobicContact CD2-CD1 3.83Å; L666-F668 HydrophobicContact CD2-CD2 3.89Å; L666-F668 HydrophobicContact CD2-CE1 3.68Å; L666-F668 HydrophobicContact CD2-CE2 3.74Å; L666-F668 HydrophobicContact CD2-CG 3.94Å; L666-F668 HydrophobicContact CD2-CZ 3.64Å; L666-W687 CarbonylContact O-C 3.57Å; L666-W687 WeakPolarHBondContact O-CA 3.43Å; L666-W687 WeakPolarHBondContact O-CB 3.47Å; L666-I688 HydrophobicContact CB-CD1 4.38Å; L666-I688 HydrophobicContact CB-CG1 3.9Å; L666-I688 HydrophobicContact CD2-CD1 4.24Å; L666-I688 HydrophobicContact CD2-CG1 4.05Å; L666-I688 PolarHBondContact N-O 2.99Å; L666-I688 PolarHBondContact O-N 3.41Å
667	S	97.9	Very high	94.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	136.2	168.8	-175.6	0	0	0	0	111.1	F551 K670 T684 C686	F551-S667 PolarHBondContact N-O 2.9Å; F551-S667 PolarHBondContact O-N 3.43Å; S667-K670 WeakPolarHBondContact CB-O 3.46Å; S667-K670 PolarHBondContact OG-O 2.87Å; S667-T684 WeakPolarHBondContact OG-CB 3.37Å; S667-T684 WeakPolarHBondContact OG-CG2 3.35Å; S667-T684 PolarHBondContact OG-OG1 2.97Å; S667-C686 PolarHBondContact OG-O 3.01Å
668	F	97.5	Very high	94.6	Very high	1 Å²	1	42 Å²	42	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	136.4	176.3	-64.3	-82.7	0	0	0	110.8	V493 L507 I526 V530 V550 L666 K670 C686 I688	V493-F668 HydrophobicContact CG1-CZ 4.03Å; L507-F668 HydrophobicContact CD1-CE2 3.8Å; L507-F668 HydrophobicContact CD1-CZ 4.21Å; I526-F668 HydrophobicContact CD1-CD2 4.35Å; I526-F668 HydrophobicContact CD1-CG 4.4Å; I526-F668 HydrophobicContact CG1-CB 3.97Å; I526-F668 HydrophobicContact CG1-CD1 4.49Å; I526-F668 HydrophobicContact CG1-CG 4.13Å; I526-F668 HydrophobicContact CG2-CD1 4Å; I526-F668 HydrophobicContact CG2-CE1 4.11Å; I526-F668 HydrophobicContact CG2-CG 4.39Å; V530-F668 HydrophobicContact CG1-CE1 4.13Å; V530-F668 HydrophobicContact CG2-CE1 4.03Å; V530-F668 HydrophobicContact CG2-CZ 4.19Å; V550-F668 HydrophobicContact CG1-CD1 3.93Å; V550-F668 HydrophobicContact CG1-CE1 4.47Å; L666-F668 HydrophobicContact CD2-CD1 3.83Å; L666-F668 HydrophobicContact CD2-CD2 3.89Å; L666-F668 HydrophobicContact CD2-CE1 3.68Å; L666-F668 HydrophobicContact CD2-CE2 3.74Å; L666-F668 HydrophobicContact CD2-CG 3.94Å; L666-F668 HydrophobicContact CD2-CZ 3.64Å; F668-K670 PolarHBondContact O-N 3.12Å; F668-C686 PolarHBondContact N-O 2.89Å; F668-C686 VanDerWaalsContact N-O 3.08Å; F668-I688 HydrophobicContact CE2-CD1 4.31Å; F668-I688 HydrophobicContact CE2-CG1 4.23Å; F668-I688 HydrophobicContact CE2-CG2 4.06Å; F668-I688 HydrophobicContact CZ-CD1 4.16Å
669	V	95.6	Very high	94.7	Very high	19 Å²	19	52.4 Å²	52.4	12%	0.115	25%	0.25	C	C	.	.	S	Bend	trans	67.6	-32.1	169.5	-170.9	0	0	0	0	115.2	Y525 F548 S549	Y525-V669 HydrophobicContact CD2-CG1 4.46Å; F548-V669 HydrophobicContact CB-CG1 4.41Å; F548-V669 HydrophobicContact CB-CG2 4.16Å; F548-V669 HydrophobicContact CD1-CG1 4.21Å; F548-V669 HydrophobicContact CG-CG1 4.29Å; F548-V669 HydrophobicContact CG-CG2 4.46Å; S549-V669 PolarHBondContact O-N 3.31Å
670	K	96.3	Very high	94.9	Very high	67 Å²	67	49.7 Å²	49.7	29%	0.291	25%	0.247	S	C	.	.			trans	-126.6	116.8	-171.5	-57.9	-57.8	178.9	-167.3	0	111.1	F551 S667 F668 P685	F551-K670 VanDerWaalsContact CD2-C 3.49Å; S667-K670 WeakPolarHBondContact CB-O 3.46Å; S667-K670 PolarHBondContact OG-O 2.87Å; F668-K670 PolarHBondContact O-N 3.12Å; K670-P685 HydrophobicContact CB-CG 4.23Å; K670-P685 HydrophobicContact CG-CG 3.74Å
671	G	95.1	Very high	95	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.01	23%	0.232	C	C	.	.			trans	-75.9	168.3	171.9	0	0	0	0	0	113.4	F551 R678	F551-G671 VanDerWaalsContact CD1-CA 3.44Å; F551-G671 VanDerWaalsContact CD2-N 3.31Å; G671-R678 VanDerWaalsContact O-CZ 3.26Å; G671-R678 PolarHBondContact O-NE 3.31Å; G671-R678 PolarHBondContact O-NH2 2.89Å
672	W	96.6	Very high	95.2	Very high	15 Å²	15	50.2 Å²	50.2	6%	0.057	25%	0.252	C	S	.	.			trans	-134.3	171.5	170.5	73.8	93.5	0	0	0	108.6	F551 Q553 V569 Y676 R678 I681 T684	F551-W672 HydrophobicContact CB-CE3 4.15Å; F551-W672 HydrophobicContact CB-CH2 4.33Å; F551-W672 HydrophobicContact CB-CZ3 3.6Å; F551-W672 WeakPolarHBondContact O-CH2 3.32Å; F551-W672 WeakPolarHBondContact O-CZ3 3.38Å; Q553-W672 HydrophobicContact CB-CH2 4.28Å; Q553-W672 HydrophobicContact CB-CZ2 3.98Å; V569-W672 HydrophobicContact CB-CZ2 4.33Å; V569-W672 HydrophobicContact CG1-CD2 4.1Å; V569-W672 HydrophobicContact CG1-CE3 4.11Å; V569-W672 HydrophobicContact CG1-CH2 3.83Å; V569-W672 HydrophobicContact CG1-CZ2 3.78Å; V569-W672 HydrophobicContact CG1-CZ3 3.99Å; V569-W672 HydrophobicContact CG2-CD2 4.14Å; V569-W672 VanDerWaalsContact CG2-CE2 3.48Å; V569-W672 HydrophobicContact CG2-CG 4.39Å; V569-W672 HydrophobicContact CG2-CZ2 3.74Å; W672-Y676 WeakPolarHBondContact O-CD2 3.36Å; W672-R678 CarbonylContact C-O 3.59Å; W672-R678 VanDerWaalsContact CA-O 3.25Å; W672-R678 WeakPolarHBondContact CA-O 3.27Å; W672-R678 HydrophobicContact CB-CB 4.04Å; W672-R678 WeakPolarHBondContact CB-O 3.3Å; W672-I681 HydrophobicContact CD2-CB 3.84Å; W672-I681 HydrophobicContact CD2-CG1 4.18Å; W672-I681 HydrophobicContact CE3-CB 4.01Å; W672-I681 HydrophobicContact CE3-CD1 4.33Å; W672-I681 HydrophobicContact CE3-CG1 3.8Å; W672-I681 HydrophobicContact CG-CB 4.37Å; W672-I681 HydrophobicContact CH2-CB 4.36Å; W672-I681 HydrophobicContact CH2-CD1 3.76Å; W672-I681 HydrophobicContact CH2-CG1 4.1Å; W672-I681 HydrophobicContact CZ2-CB 4.21Å; W672-I681 HydrophobicContact CZ2-CD1 4.3Å; W672-I681 HydrophobicContact CZ2-CG1 4.45Å; W672-I681 HydrophobicContact CZ3-CB 4.26Å; W672-I681 HydrophobicContact CZ3-CD1 3.76Å; W672-I681 HydrophobicContact CZ3-CG1 3.75Å; W672-T684 HydrophobicContact CB-CG2 4.1Å; W672-T684 HydrophobicContact CE3-CG2 4.11Å
673	G	93	Very high	95.2	Very high	12 Å²	12	54.2 Å²	54.2	12%	0.124	27%	0.27	C	S	.	.	S	Bend	trans	112.1	-179	-176	0	0	0	0	0	112.1	D675 Y676 R678	G673-D675 VanDerWaalsContact C-N 3.26Å; G673-D675 PolarHBondContact O-N 2.99Å; G673-D675 VanDerWaalsContact O-N 3.16Å; G673-Y676 PolarHBondContact O-N 2.96Å; G673-Y676 VanDerWaalsContact O-O 3.12Å; G673-R678 PolarHBondContact N-O 2.98Å
674	P	91	Very high	95.3	Very high	137 Å²	137	53.1 Å²	53.1	89%	0.89	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-32.9	-171.2	-27.4	36	0	0	0	115.2	Y676	P674-Y676 PolarHBondContact O-N 2.82Å
675	D	93	Very high	95.3	Very high	101 Å²	101	53 Å²	53	54%	0.54	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-1.5	179	-58.2	-53.5	0	0	0	113.9	S292 G673	S292-D675 WeakPolarHBondContact CB-OD2 3.43Å; G673-D675 VanDerWaalsContact C-N 3.26Å; G673-D675 PolarHBondContact O-N 2.99Å; G673-D675 VanDerWaalsContact O-N 3.16Å
676	Y	93.6	Very high	95.3	Very high	69 Å²	69	50.7 Å²	50.7	27%	0.271	26%	0.256	S	S	.	.	S	Bend	trans	-122.1	153.6	-176.1	-62.3	-82.5	0	0	0	111	F551 W672 G673 P674 R678	F551-Y676 HydrophobicContact CE1-CE1 4.21Å; F551-Y676 HydrophobicContact CE1-CE2 4.46Å; F551-Y676 AromaticContact CE1-CZ 3.77Å; F551-Y676 WeakPolarHBondContact CE1-OH 3.22Å; F551-Y676 HydrophobicContact CZ-CE1 4.45Å; W672-Y676 WeakPolarHBondContact O-CD2 3.36Å; G673-Y676 PolarHBondContact O-N 2.96Å; G673-Y676 VanDerWaalsContact O-O 3.12Å; P674-Y676 PolarHBondContact O-N 2.82Å; Y676-R678 PolarHBondContact O-N 2.9Å
677	P	93.3	Very high	95.3	Very high	118 Å²	118	50.7 Å²	50.7	77%	0.766	26%	0.256	S	S	*	.	S	Bend	trans	-67.8	-0.2	174.6	29.8	-37.4	0	0	0	113.8
678	R	95.5	Very high	95.3	Very high	43 Å²	43	50.7 Å²	50.7	16%	0.162	26%	0.256	C	S	.	.			trans	-114.7	125.3	179.4	-72.9	169.7	-66.7	-71.6	-15.4	109.3	G671 W672 G673 Y676 E683	G671-R678 VanDerWaalsContact O-CZ 3.26Å; G671-R678 PolarHBondContact O-NE 3.31Å; G671-R678 PolarHBondContact O-NH2 2.89Å; W672-R678 CarbonylContact C-O 3.59Å; W672-R678 VanDerWaalsContact CA-O 3.25Å; W672-R678 WeakPolarHBondContact CA-O 3.27Å; W672-R678 HydrophobicContact CB-CB 4.04Å; W672-R678 WeakPolarHBondContact CB-O 3.3Å; G673-R678 PolarHBondContact N-O 2.98Å; Y676-R678 PolarHBondContact O-N 2.9Å; R678-E683 WeakPolarHBondContact CA-OE2 3.3Å; R678-E683 HydrophobicContact CB-CB 4.01Å; R678-E683 WeakPolarHBondContact CD-O 3.34Å; R678-E683 HydrophobicContact CG-CB 3.84Å
679	R	93	Very high	95.4	Very high	220 Å²	220	51.6 Å²	51.6	83%	0.83	26%	0.26	S	S	*	.	S	Bend	trans	-81.9	-33.9	-178.4	-61.3	-179	178.4	-169.8	-1	112.3	E683	R679-E683 PolarHBondContact N-OE2 3.04Å
680	S	94.5	Very high	95.5	Very high	49 Å²	49	50.9 Å²	50.9	34%	0.343	26%	0.255	S	S	.	.	S	Bend	trans	-126.5	155.6	-176.5	-169.4	0	0	0	0	111.9	K682 E683	S680-K682 PolarHBondContact O-N 3.17Å; S680-E683 WeakPolarHBondContact O-CB 3.35Å; S680-E683 PolarHBondContact O-N 2.84Å
681	I	95.9	Very high	95.5	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-59	-30.2	171.3	-162.5	177.1	0	0	0	112.1	R665 W672 E683 T684 W687	R665-I681 HydrophobicContact CB-CD1 3.7Å; W672-I681 HydrophobicContact CD2-CB 3.84Å; W672-I681 HydrophobicContact CD2-CG1 4.18Å; W672-I681 HydrophobicContact CE3-CB 4.01Å; W672-I681 HydrophobicContact CE3-CD1 4.33Å; W672-I681 HydrophobicContact CE3-CG1 3.8Å; W672-I681 HydrophobicContact CG-CB 4.37Å; W672-I681 HydrophobicContact CH2-CB 4.36Å; W672-I681 HydrophobicContact CH2-CD1 3.76Å; W672-I681 HydrophobicContact CH2-CG1 4.1Å; W672-I681 HydrophobicContact CZ2-CB 4.21Å; W672-I681 HydrophobicContact CZ2-CD1 4.3Å; W672-I681 HydrophobicContact CZ2-CG1 4.45Å; W672-I681 HydrophobicContact CZ3-CB 4.26Å; W672-I681 HydrophobicContact CZ3-CD1 3.76Å; W672-I681 HydrophobicContact CZ3-CG1 3.75Å; I681-E683 PolarHBondContact O-N 3.29Å; I681-E683 VanDerWaalsContact O-N 3.12Å; I681-T684 HydrophobicContact CG1-CG2 4.41Å; I681-T684 WeakPolarHBondContact O-CB 3.48Å; I681-T684 WeakPolarHBondContact O-CG2 3.47Å; I681-T684 PolarHBondContact O-N 2.69Å; I681-T684 PolarHBondContact O-OG1 2.91Å; I681-W687 HydrophobicContact CD1-CB 3.96Å; I681-W687 HydrophobicContact CD1-CD2 3.99Å; I681-W687 HydrophobicContact CD1-CE3 3.72Å; I681-W687 HydrophobicContact CD1-CG 4.13Å; I681-W687 HydrophobicContact CG1-CB 3.95Å; I681-W687 HydrophobicContact CG1-CD2 3.91Å; I681-W687 HydrophobicContact CG1-CE3 4.12Å; I681-W687 HydrophobicContact CG1-CG 3.85Å; I681-W687 HydrophobicContact CG2-CE3 4.37Å; I681-W687 HydrophobicContact CG2-CZ3 4.42Å; I681-W687 PolarHBondContact O-NE1 2.88Å
682	K	95.7	Very high	95.6	Very high	117 Å²	117	49.5 Å²	49.5	51%	0.509	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-63.8	-15.2	175.3	-63.4	-172.4	176.5	-171.5	0	114.1	L474 D475 S680 W687	L474-K682 CarbonylContact C-O 3.54Å; L474-K682 VanDerWaalsContact CA-O 3.27Å; L474-K682 WeakPolarHBondContact CA-O 3.4Å; D475-K682 HydrophobicContact CB-CB 4.46Å; D475-K682 PolarHBondContact N-O 2.81Å; S680-K682 PolarHBondContact O-N 3.17Å; K682-W687 HydrophobicContact CG-CZ2 4.09Å
683	E	95.6	Very high	95.5	Very high	84 Å²	84	50.7 Å²	50.7	39%	0.393	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-92.4	-1.8	174.1	-60	168.1	-165.2	0	0	111.7	R678 R679 S680 I681	R678-E683 WeakPolarHBondContact CA-OE2 3.3Å; R678-E683 HydrophobicContact CB-CB 4.01Å; R678-E683 WeakPolarHBondContact CD-O 3.34Å; R678-E683 HydrophobicContact CG-CB 3.84Å; R679-E683 PolarHBondContact N-OE2 3.04Å; S680-E683 WeakPolarHBondContact O-CB 3.35Å; S680-E683 PolarHBondContact O-N 2.84Å; I681-E683 PolarHBondContact O-N 3.29Å; I681-E683 VanDerWaalsContact O-N 3.12Å
684	T	96.7	Very high	95.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-83	142.5	178.4	78.6	0	0	0	0	111	L474 S667 W672 I681 C686 W687	L474-T684 WeakPolarHBondContact CA-O 3.26Å; L474-T684 PolarHBondContact N-O 2.85Å; S667-T684 WeakPolarHBondContact OG-CB 3.37Å; S667-T684 WeakPolarHBondContact OG-CG2 3.35Å; S667-T684 PolarHBondContact OG-OG1 2.97Å; W672-T684 HydrophobicContact CB-CG2 4.1Å; W672-T684 HydrophobicContact CE3-CG2 4.11Å; I681-T684 HydrophobicContact CG1-CG2 4.41Å; I681-T684 WeakPolarHBondContact O-CB 3.48Å; I681-T684 WeakPolarHBondContact O-CG2 3.47Å; I681-T684 PolarHBondContact O-N 2.69Å; I681-T684 PolarHBondContact O-OG1 2.91Å; T684-C686 VanDerWaalsContact C-N 3.27Å; T684-C686 PolarHBondContact O-N 2.73Å; T684-W687 VanDerWaalsContact OG1-CD1 3.28Å
685	P	96.8	Very high	95.7	Very high	4 Å²	4	44.8 Å²	44.8	3%	0.026	21%	0.213	C	C	.	.	S	Bend	trans	-63.6	-28.5	-172.8	17.4	-29.7	0	0	0	114.8	E473 Q518 S519 S522 K670	E473-P685 WeakPolarHBondContact CA-O 3.37Å; Q518-P685 HydrophobicContact CG-CB 4.32Å; Q518-P685 HydrophobicContact CG-CG 4.48Å; S519-P685 PolarHBondContact OG-O 3.48Å; S519-P685 VanDerWaalsContact OG-O 3.1Å; S522-P685 WeakPolarHBondContact OG-CG 3.3Å; K670-P685 HydrophobicContact CB-CG 4.23Å; K670-P685 HydrophobicContact CG-CG 3.74Å
686	C	97	Very high	95.8	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-153	116.8	-175	-57.5	0	0	0	0	110.1	Y471 F472 R523 I526 S667 F668 T684	Y471-C686 HydrophobicContact CE2-CB 4.1Å; Y471-C686 PolarHBondContact OH-SG 3.26Å; F472-C686 WeakPolarHBondContact O-CA 3.2Å; R523-C686 VanDerWaalsContact CG-SG 3.56Å; I526-C686 HydrophobicContact CD1-CB 4.38Å; S667-C686 PolarHBondContact OG-O 3.01Å; F668-C686 PolarHBondContact N-O 2.89Å; F668-C686 VanDerWaalsContact N-O 3.08Å; T684-C686 VanDerWaalsContact C-N 3.27Å; T684-C686 PolarHBondContact O-N 2.73Å
687	W	98.2	Very high	95.7	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	166.5	177	60.9	-79.9	0	0	0	111.7	Y471 F472 L474 R665 L666 I681 K682 T684 E689	Y471-W687 VanDerWaalsContact CD2-O 3.28Å; Y471-W687 WeakPolarHBondContact CD2-O 3.13Å; F472-W687 HydrophobicContact CB-CD2 3.76Å; F472-W687 HydrophobicContact CB-CE3 4.4Å; F472-W687 HydrophobicContact CB-CG 4.1Å; F472-W687 HydrophobicContact CB-CH2 4.26Å; F472-W687 HydrophobicContact CB-CZ2 3.6Å; F472-W687 AromaticContact CD1-CH2 3.99Å; F472-W687 HydrophobicContact CD1-CH2 3.99Å; F472-W687 AromaticContact CD1-CZ2 3.71Å; F472-W687 HydrophobicContact CD1-CZ2 3.71Å; F472-W687 HydrophobicContact CD2-CD2 4.23Å; F472-W687 HydrophobicContact CD2-CE3 4.01Å; F472-W687 AromaticContact CD2-CH2 3.65Å; F472-W687 HydrophobicContact CD2-CH2 3.65Å; F472-W687 AromaticContact CD2-CZ2 3.9Å; F472-W687 HydrophobicContact CD2-CZ2 3.9Å; F472-W687 AromaticContact CD2-CZ3 3.74Å; F472-W687 HydrophobicContact CD2-CZ3 3.74Å; F472-W687 HydrophobicContact CE1-CH2 4.24Å; F472-W687 HydrophobicContact CE1-CZ2 4.36Å; F472-W687 AromaticContact CE2-CH2 3.92Å; F472-W687 HydrophobicContact CE2-CH2 3.92Å; F472-W687 HydrophobicContact CE2-CZ3 4.05Å; F472-W687 HydrophobicContact CG-CD2 4.19Å; F472-W687 AromaticContact CG-CE2 3.72Å; F472-W687 HydrophobicContact CG-CE3 4.4Å; F472-W687 AromaticContact CG-CH2 3.71Å; F472-W687 HydrophobicContact CG-CH2 3.71Å; F472-W687 AromaticContact CG-CZ2 3.46Å; F472-W687 HydrophobicContact CG-CZ2 3.46Å; F472-W687 VanDerWaalsContact CG-CZ2 3.46Å; F472-W687 HydrophobicContact CG-CZ3 4.19Å; F472-W687 HydrophobicContact CZ-CH2 4.22Å; F472-W687 PolarHBondContact N-O 2.73Å; F472-W687 PolarHBondContact O-N 2.98Å; L474-W687 PolarHBondContact O-NE1 3.16Å; R665-W687 HydrophobicContact CG-CZ3 4.38Å; L666-W687 CarbonylContact O-C 3.57Å; L666-W687 WeakPolarHBondContact O-CA 3.43Å; L666-W687 WeakPolarHBondContact O-CB 3.47Å; I681-W687 HydrophobicContact CD1-CB 3.96Å; I681-W687 HydrophobicContact CD1-CD2 3.99Å; I681-W687 HydrophobicContact CD1-CE3 3.72Å; I681-W687 HydrophobicContact CD1-CG 4.13Å; I681-W687 HydrophobicContact CG1-CB 3.95Å; I681-W687 HydrophobicContact CG1-CD2 3.91Å; I681-W687 HydrophobicContact CG1-CE3 4.12Å; I681-W687 HydrophobicContact CG1-CG 3.85Å; I681-W687 HydrophobicContact CG2-CE3 4.37Å; I681-W687 HydrophobicContact CG2-CZ3 4.42Å; I681-W687 PolarHBondContact O-NE1 2.88Å; K682-W687 HydrophobicContact CG-CZ2 4.09Å; T684-W687 VanDerWaalsContact OG1-CD1 3.28Å; W687-E689 HydrophobicContact CZ3-CB 4.1Å
688	I	98.3	Very high	95.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.7	176.3	55	174.5	0	0	0	111	I469 A470 Y471 V493 R665 L666 F668 I690	I469-I688 HydrophobicContact CG2-CB 4Å; I469-I688 HydrophobicContact CG2-CD1 4.19Å; I469-I688 HydrophobicContact CG2-CG2 4.06Å; A470-I688 CarbonylContact O-C 3.57Å; A470-I688 WeakPolarHBondContact O-CA 3.4Å; Y471-I688 HydrophobicContact CD2-CG2 3.95Å; V493-I688 HydrophobicContact CG1-CD1 4.29Å; V493-I688 HydrophobicContact CG2-CD1 4.43Å; R665-I688 WeakPolarHBondContact CA-O 3.43Å; L666-I688 HydrophobicContact CB-CD1 4.38Å; L666-I688 HydrophobicContact CB-CG1 3.9Å; L666-I688 HydrophobicContact CD2-CD1 4.24Å; L666-I688 HydrophobicContact CD2-CG1 4.05Å; L666-I688 PolarHBondContact N-O 2.99Å; L666-I688 PolarHBondContact O-N 3.41Å; F668-I688 HydrophobicContact CE2-CD1 4.31Å; F668-I688 HydrophobicContact CE2-CG1 4.23Å; F668-I688 HydrophobicContact CE2-CG2 4.06Å; F668-I688 HydrophobicContact CZ-CD1 4.16Å; I688-I690 HydrophobicContact CD1-CD1 4.04Å; I688-I690 HydrophobicContact CD1-CG1 4.22Å
689	E	97.9	Very high	95.5	Very high	20 Å²	20	34 Å²	34	9%	0.093	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.9	165.6	-173.8	172.6	101.5	0	0	109	I469 A470 F472 M663 R665 W687 Q691	I469-E689 WeakPolarHBondContact CA-O 3.31Å; A470-E689 PolarHBondContact N-O 3.17Å; A470-E689 PolarHBondContact O-N 3.25Å; F472-E689 HydrophobicContact CE2-CB 3.94Å; M663-E689 HydrophobicContact CE-CG 3.9Å; M663-E689 WeakPolarHBondContact CE-OE1 3.34Å; M663-E689 VanDerWaalsContact CE-OE2 3.22Å; M663-E689 WeakPolarHBondContact CE-OE2 3.16Å; R665-E689 HydrophobicContact CG-CB 4.32Å; R665-E689 HydrophobicContact CG-CG 4.07Å; R665-E689 IonicContact CZ-OE2 3.75Å; R665-E689 IonicContact NE-OE2 2.68Å; R665-E689 PolarHBondContact NE-OE2 3.16Å; R665-E689 IonicContact NH2-OE2 3.61Å; R665-E689 PolarHBondContact NH2-OE2 3.02Å; W687-E689 HydrophobicContact CZ3-CB 4.1Å; E689-Q691 PolarHBondContact OE1-NE2 3.47Å
690	I	97.7	Very high	95.4	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.1	-177.9	-55.2	151.1	0	0	0	107.4	C467 N468 I469 L532 M663 L664 I688 L692	C467-I690 HydrophobicContact CB-CG2 3.9Å; N468-I690 CarbonylContact O-C 3.59Å; N468-I690 WeakPolarHBondContact O-CA 3.44Å; I469-I690 HydrophobicContact CG1-CG1 4.35Å; I469-I690 HydrophobicContact CG1-CG2 4.49Å; I469-I690 HydrophobicContact CG2-CG1 4.29Å; L532-I690 HydrophobicContact CD1-CD1 3.6Å; L532-I690 HydrophobicContact CD1-CG1 4.22Å; L532-I690 HydrophobicContact CD2-CD1 4.34Å; M663-I690 WeakPolarHBondContact CA-O 3.47Å; L664-I690 HydrophobicContact CB-CB 4.27Å; L664-I690 HydrophobicContact CB-CD1 4.3Å; L664-I690 PolarHBondContact N-O 3.26Å; L664-I690 PolarHBondContact O-N 2.9Å; I688-I690 HydrophobicContact CD1-CD1 4.04Å; I688-I690 HydrophobicContact CD1-CG1 4.22Å; I690-L692 HydrophobicContact CG2-CD2 3.85Å
691	Q	97.1	Very high	95.1	Very high	35 Å²	35	27.7 Å²	27.7	16%	0.164	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.4	178.5	-57.9	-174.4	1.2	0	0	108.9	C467 N468 R659 M663 E689 H693 L696	C467-Q691 CarbonylContact C-O 3.6Å; C467-Q691 WeakPolarHBondContact CA-O 3.37Å; C467-Q691 WeakPolarHBondContact CB-O 3.45Å; N468-Q691 PolarHBondContact N-O 2.96Å; N468-Q691 PolarHBondContact O-N 2.81Å; R659-Q691 VanDerWaalsContact NH2-OE1 3.15Å; M663-Q691 HydrophobicContact CG-CG 4.28Å; E689-Q691 PolarHBondContact OE1-NE2 3.47Å; Q691-H693 PolarHBondContact O-CD2 3.16Å; Q691-L696 HydrophobicContact CB-CD1 4.48Å
692	L	96.6	Very high	94.8	Very high	3 Å²	3	28 Å²	28	2%	0.016	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	119.7	-173.1	-56.8	179.4	0	0	0	110.9	W466 C467 V540 F581 C662 L664 I690 P695 L696	W466-L692 HydrophobicContact CE3-CD2 4.44Å; W466-L692 HydrophobicContact CZ3-CD2 4.17Å; C467-L692 HydrophobicContact CB-CD2 3.91Å; V540-L692 HydrophobicContact CG2-CD1 3.86Å; V540-L692 HydrophobicContact CG2-CD2 3.8Å; F581-L692 HydrophobicContact CB-CD1 4.23Å; F581-L692 HydrophobicContact CD1-CD1 3.69Å; F581-L692 HydrophobicContact CD2-CD1 3.7Å; F581-L692 HydrophobicContact CE1-CD1 3.89Å; F581-L692 HydrophobicContact CE2-CD1 3.91Å; F581-L692 HydrophobicContact CG-CD1 3.59Å; F581-L692 HydrophobicContact CZ-CD1 4Å; C662-L692 PolarHBondContact O-N 2.81Å; L664-L692 HydrophobicContact CD1-CD1 4.22Å; L664-L692 HydrophobicContact CG-CD1 4.37Å; I690-L692 HydrophobicContact CG2-CD2 3.85Å; L692-P695 HydrophobicContact CB-CB 4.39Å; L692-P695 HydrophobicContact CB-CG 3.74Å; L692-P695 HydrophobicContact CD1-CG 4.34Å; L692-P695 WeakPolarHBondContact O-CD 3.28Å; L692-L696 WeakPolarHBondContact O-CD1 3.42Å; L692-L696 VanDerWaalsContact O-CG 3.24Å; L692-L696 WeakPolarHBondContact O-CG 3.4Å; L692-L696 PolarHBondContact O-N 3.3Å
693	H	95.1	Very high	94.4	Very high	40 Å²	40	24.2 Å²	24.2	19%	0.185	12%	0.119	C	C	.	.	H	α-helix	trans	-76.2	-41.6	-169.1	-75.8	-150.8	0	0	0	113.3	P463 Y465 W466 N468 Q691 L696 Q697	P463-H693 HydrophobicContact CB-CB 3.81Å; P463-H693 HydrophobicContact CG-CB 3.81Å; Y465-H693 VanDerWaalsContact O-CB 3.22Å; Y465-H693 WeakPolarHBondContact O-CB 3.5Å; Y465-H693 VanDerWaalsContact O-CG 3.28Å; Y465-H693 PolarHBondContact O-ND1 3.36Å; Y465-H693 VanDerWaalsContact O-ND1 3.12Å; W466-H693 PolarHBondContact O-N 2.92Å; N468-H693 PolarHBondContact ND2-NE2 3.06Å; N468-H693 PolarHBondContact OD1-CE1 2.9Å; N468-H693 PolarHBondContact OD1-NE2 2.76Å; N468-H693 VanDerWaalsContact OD1-NE2 3.16Å; Q691-H693 PolarHBondContact O-CD2 3.16Å; H693-L696 CarbonylContact O-C 3.59Å; H693-L696 WeakPolarHBondContact O-CA 3.32Å; H693-L696 WeakPolarHBondContact O-CB 3.38Å; H693-L696 PolarHBondContact O-N 3.05Å; H693-L696 VanDerWaalsContact O-N 3.08Å; H693-Q697 PolarHBondContact O-N 3.34Å
694	R	94.1	Very high	93.9	Very high	21 Å²	21	26 Å²	26	8%	0.079	13%	0.127	C	C	.	.	H	α-helix	trans	-62.5	-43.5	178.6	-175.5	72.5	163.2	-173.6	-2.3	112.2	T458 Q460 P463 E537 I583 L696 Q697 L698	T458-R694 VanDerWaalsContact CG2-NH2 3.25Å; T458-R694 PolarHBondContact O-NH2 3.11Å; Q460-R694 PolarHBondContact O-NH1 2.78Å; P463-R694 HydrophobicContact CG-CB 4.45Å; E537-R694 HydrophobicContact CG-CG 4.46Å; E537-R694 WeakPolarHBondContact O-CG 3.43Å; E537-R694 IonicContact OE1-CZ 3.18Å; E537-R694 IonicContact OE1-NE 2.71Å; E537-R694 PolarHBondContact OE1-NE 2.78Å; E537-R694 IonicContact OE1-NH2 2.78Å; E537-R694 PolarHBondContact OE1-NH2 2.81Å; I583-R694 HydrophobicContact CD1-CB 4.26Å; I583-R694 HydrophobicContact CD1-CG 3.51Å; R694-L696 VanDerWaalsContact C-N 3.33Å; R694-L696 PolarHBondContact O-N 3Å; R694-Q697 VanDerWaalsContact CD-OE1 3.29Å; R694-Q697 WeakPolarHBondContact O-CB 3.49Å; R694-Q697 PolarHBondContact O-N 2.9Å; R694-L698 PolarHBondContact O-N 2.99Å; R694-L698 VanDerWaalsContact O-N 3.11Å
695	P	94.2	Very high	93.3	Very high	5 Å²	5	30 Å²	30	3%	0.032	16%	0.161	C	C	.	.	H	α-helix	trans	-61	-35.1	168.7	-27.4	37.4	0	0	0	114.2	F581 I583 C662 L692 L698 L699	F581-P695 HydrophobicContact CE1-CB 4.39Å; F581-P695 HydrophobicContact CE1-CG 3.42Å; F581-P695 VanDerWaalsContact CE1-CG 3.42Å; F581-P695 HydrophobicContact CE2-CG 4.4Å; F581-P695 HydrophobicContact CZ-CB 3.81Å; F581-P695 HydrophobicContact CZ-CG 3.31Å; I583-P695 HydrophobicContact CG1-CG 4.44Å; C662-P695 HydrophobicContact CB-CB 3.9Å; C662-P695 VanDerWaalsContact SG-C 3.59Å; C662-P695 PolarHBondContact SG-O 2.8Å; L692-P695 HydrophobicContact CB-CB 4.39Å; L692-P695 HydrophobicContact CB-CG 3.74Å; L692-P695 HydrophobicContact CD1-CG 4.34Å; L692-P695 WeakPolarHBondContact O-CD 3.28Å; P695-L698 PolarHBondContact O-N 2.84Å; P695-L699 PolarHBondContact O-N 2.62Å
696	L	94.2	Very high	92.3	Very high	43 Å²	43	32.1 Å²	32.1	23%	0.225	17%	0.171	C	C	.	.	H	α-helix	trans	-68.6	-32.9	174.7	-71.6	168.6	0	0	0	112.9	R659 C662 Q691 L692 H693 R694 L699 D700	R659-L696 HydrophobicContact CG-CD2 4.14Å; C662-L696 HydrophobicContact CB-CD2 3.68Å; C662-L696 HydrophobicContact CB-CG 3.82Å; Q691-L696 HydrophobicContact CB-CD1 4.48Å; L692-L696 WeakPolarHBondContact O-CD1 3.42Å; L692-L696 VanDerWaalsContact O-CG 3.24Å; L692-L696 WeakPolarHBondContact O-CG 3.4Å; L692-L696 PolarHBondContact O-N 3.3Å; H693-L696 CarbonylContact O-C 3.59Å; H693-L696 WeakPolarHBondContact O-CA 3.32Å; H693-L696 WeakPolarHBondContact O-CB 3.38Å; H693-L696 PolarHBondContact O-N 3.05Å; H693-L696 VanDerWaalsContact O-N 3.08Å; R694-L696 VanDerWaalsContact C-N 3.33Å; R694-L696 PolarHBondContact O-N 3Å; L696-L699 HydrophobicContact CD2-CD2 4.29Å; L696-L699 WeakPolarHBondContact O-CB 3.17Å; L696-L699 PolarHBondContact O-N 3.43Å; L696-D700 PolarHBondContact O-N 2.84Å; L696-D700 VanDerWaalsContact O-N 3.07Å
697	Q	92.7	Very high	90.8	Very high	49 Å²	49	36.3 Å²	36.3	23%	0.229	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-45.4	169.8	-68.5	179.7	-47.1	0	0	111.3	R461 H693 R694 L699 D700 E701	R461-Q697 PolarHBondContact O-NE2 2.59Å; H693-Q697 PolarHBondContact O-N 3.34Å; R694-Q697 VanDerWaalsContact CD-OE1 3.29Å; R694-Q697 WeakPolarHBondContact O-CB 3.49Å; R694-Q697 PolarHBondContact O-N 2.9Å; Q697-L699 PolarHBondContact O-N 2.74Å; Q697-D700 WeakPolarHBondContact O-CB 3.42Å; Q697-D700 PolarHBondContact O-N 3.09Å; Q697-E701 PolarHBondContact O-N 2.76Å
698	L	92.1	Very high	88.9	Confident	1 Å²	1	42 Å²	42	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-32.5	174.8	-69	173.8	0	0	0	112.2	L457 T458 I583 H587 M590 R694 P695 E701 V702	L457-L698 HydrophobicContact CB-CD1 4.31Å; L457-L698 HydrophobicContact CB-CD2 4.25Å; L457-L698 HydrophobicContact CD1-CD1 4Å; T458-L698 HydrophobicContact CG2-CD2 3.52Å; T458-L698 HydrophobicContact CG2-CG 4.28Å; I583-L698 HydrophobicContact CD1-CD1 3.85Å; I583-L698 HydrophobicContact CG1-CD1 3.8Å; H587-L698 HydrophobicContact CB-CD1 4.21Å; M590-L698 HydrophobicContact SD-CB 4.47Å; R694-L698 PolarHBondContact O-N 2.99Å; R694-L698 VanDerWaalsContact O-N 3.11Å; P695-L698 PolarHBondContact O-N 2.84Å; L698-E701 PolarHBondContact O-N 2.8Å; L698-V702 VanDerWaalsContact O-CG2 3.31Å; L698-V702 WeakPolarHBondContact O-CG2 3.47Å; L698-V702 PolarHBondContact O-N 3.44Å
699	L	92.3	Very high	86.4	Confident	10 Å²	10	46.3 Å²	46.3	5%	0.052	25%	0.251	C	S	.	.	H	α-helix	trans	-65.8	-44.8	173.5	179.2	55.9	0	0	0	112.2	M590 L658 R659 P695 L696 Q697 E701 V702 L703	M590-L699 HydrophobicContact CE-CB 3.76Å; M590-L699 HydrophobicContact CE-CD1 4.34Å; M590-L699 HydrophobicContact CG-CD1 3.84Å; M590-L699 WeakPolarHBondContact SD-CA 3.4Å; M590-L699 HydrophobicContact SD-CB 3.74Å; M590-L699 HydrophobicContact SD-CD1 3.92Å; M590-L699 HydrophobicContact SD-CG 4.44Å; M590-L699 PolarHBondContact SD-N 3.3Å; L658-L699 HydrophobicContact CB-CD1 3.63Å; L658-L699 HydrophobicContact CB-CD2 4.25Å; L658-L699 HydrophobicContact CD1-CD1 4.16Å; L658-L699 HydrophobicContact CD2-CD1 4.45Å; L658-L699 HydrophobicContact CG-CD1 4.31Å; R659-L699 HydrophobicContact CB-CD2 4.24Å; P695-L699 PolarHBondContact O-N 2.62Å; L696-L699 HydrophobicContact CD2-CD2 4.29Å; L696-L699 WeakPolarHBondContact O-CB 3.17Å; L696-L699 PolarHBondContact O-N 3.43Å; Q697-L699 PolarHBondContact O-N 2.74Å; L699-E701 VanDerWaalsContact C-N 3.33Å; L699-E701 PolarHBondContact O-N 2.8Å; L699-V702 PolarHBondContact O-N 2.7Å; L699-L703 HydrophobicContact CD1-CD1 3.95Å; L699-L703 HydrophobicContact CD1-CD2 4.37Å; L699-L703 HydrophobicContact CD1-CG 3.88Å; L699-L703 HydrophobicContact CG-CD1 3.92Å; L699-L703 HydrophobicContact CG-CG 4.3Å; L699-L703 WeakPolarHBondContact O-CB 3.47Å; L699-L703 VanDerWaalsContact O-CG 3.25Å; L699-L703 WeakPolarHBondContact O-CG 3.41Å; L699-L703 PolarHBondContact O-N 2.65Å
700	D	90.5	Very high	83.7	Confident	88 Å²	88	52.6 Å²	52.6	47%	0.471	29%	0.285	S	S	.	.	H	α-helix	trans	-58.9	-44.2	175.1	-175	40.5	0	0	0	111.3	L696 Q697 V702 L703 Q704	L696-D700 PolarHBondContact O-N 2.84Å; L696-D700 VanDerWaalsContact O-N 3.07Å; Q697-D700 WeakPolarHBondContact O-CB 3.42Å; Q697-D700 PolarHBondContact O-N 3.09Å; D700-V702 PolarHBondContact O-N 2.94Å; D700-L703 PolarHBondContact O-N 3.07Å; D700-Q704 WeakPolarHBondContact O-CB 3.32Å; D700-Q704 VanDerWaalsContact O-CG 3.23Å; D700-Q704 WeakPolarHBondContact O-CG 3.42Å; D700-Q704 PolarHBondContact O-N 2.7Å; D700-Q704 PolarHBondContact OD1-NE2 2.73Å; D700-Q704 PolarHBondContact OD2-NE2 3.07Å
701	E	89.4	Confident	80.9	Confident	49 Å²	49	59.2 Å²	59.2	23%	0.229	32%	0.32	C	S	.	.	H	α-helix	trans	-59.4	-44.6	173	-69.9	173.5	-137.9	0	0	113.2	T458 Q460 Q697 L698 L699 L703 Q704 A705	T458-E701 WeakPolarHBondContact CB-OE1 3.35Å; T458-E701 PolarHBondContact OG1-OE1 3.48Å; T458-E701 PolarHBondContact OG1-OE2 3.18Å; Q460-E701 HydrophobicContact CG-CG 4.4Å; Q460-E701 WeakPolarHBondContact CG-OE1 3.47Å; Q697-E701 PolarHBondContact O-N 2.76Å; L698-E701 PolarHBondContact O-N 2.8Å; L699-E701 VanDerWaalsContact C-N 3.33Å; L699-E701 PolarHBondContact O-N 2.8Å; E701-L703 VanDerWaalsContact C-N 3.35Å; E701-Q704 PolarHBondContact O-N 3.16Å; E701-A705 VanDerWaalsContact O-CB 3.29Å; E701-A705 WeakPolarHBondContact O-CB 3.27Å; E701-A705 PolarHBondContact O-N 3.08Å
702	V	88.4	Confident	77.8	Confident	11 Å²	11	65.6 Å²	65.6	7%	0.067	35%	0.347	C	S	.	.	H	α-helix	trans	-65.1	-39.3	178	169.1	0	0	0	0	111.3	M590 K591 A594 L698 L699 D700 A705 M706	M590-V702 HydrophobicContact CG-CB 4.32Å; M590-V702 HydrophobicContact CG-CG1 4.23Å; M590-V702 HydrophobicContact CG-CG2 4.27Å; M590-V702 HydrophobicContact SD-CB 4.3Å; M590-V702 HydrophobicContact SD-CG2 4.02Å; K591-V702 HydrophobicContact CG-CG1 4.35Å; K591-V702 HydrophobicContact CG-CG2 3.7Å; A594-V702 HydrophobicContact CB-CG1 3.64Å; L698-V702 VanDerWaalsContact O-CG2 3.31Å; L698-V702 WeakPolarHBondContact O-CG2 3.47Å; L698-V702 PolarHBondContact O-N 3.44Å; L699-V702 PolarHBondContact O-N 2.7Å; D700-V702 PolarHBondContact O-N 2.94Å; V702-A705 PolarHBondContact O-N 3.42Å; V702-M706 WeakPolarHBondContact O-CG 3.47Å; V702-M706 PolarHBondContact O-N 3.09Å
703	L	87.3	Confident	74.6	Confident	38 Å²	38	70.8 Å²	70.8	20%	0.199	38%	0.381	C	S	.	.	H	α-helix	trans	-70.5	-38.6	178.1	-68.1	174.4	0	0	0	112	V655 L658 L699 D700 E701 A705 M706	V655-L703 HydrophobicContact CG1-CD1 4.21Å; V655-L703 HydrophobicContact CG2-CD1 4.35Å; V655-L703 HydrophobicContact CG2-CD2 3.96Å; L658-L703 HydrophobicContact CD1-CD2 3.93Å; L699-L703 HydrophobicContact CD1-CD1 3.95Å; L699-L703 HydrophobicContact CD1-CD2 4.37Å; L699-L703 HydrophobicContact CD1-CG 3.88Å; L699-L703 HydrophobicContact CG-CD1 3.92Å; L699-L703 HydrophobicContact CG-CG 4.3Å; L699-L703 WeakPolarHBondContact O-CB 3.47Å; L699-L703 VanDerWaalsContact O-CG 3.25Å; L699-L703 WeakPolarHBondContact O-CG 3.41Å; L699-L703 PolarHBondContact O-N 2.65Å; D700-L703 PolarHBondContact O-N 3.07Å; E701-L703 VanDerWaalsContact C-N 3.35Å; L703-A705 VanDerWaalsContact C-N 3.31Å; L703-M706 HydrophobicContact CD2-CE 3.51Å; L703-M706 HydrophobicContact CD2-SD 4.42Å; L703-M706 WeakPolarHBondContact O-CB 3.44Å; L703-M706 PolarHBondContact O-N 3.34Å
704	Q	85.9	Confident	71.7	Confident	120 Å²	120	74.6 Å²	74.6	56%	0.561	41%	0.407	S	S	*	.	H	α-helix	trans	-67.7	-30.2	173.6	-71.4	172.5	23.5	0	0	112.8	D700 E701 M706	D700-Q704 WeakPolarHBondContact O-CB 3.32Å; D700-Q704 VanDerWaalsContact O-CG 3.23Å; D700-Q704 WeakPolarHBondContact O-CG 3.42Å; D700-Q704 PolarHBondContact O-N 2.7Å; D700-Q704 PolarHBondContact OD1-NE2 2.73Å; D700-Q704 PolarHBondContact OD2-NE2 3.07Å; E701-Q704 PolarHBondContact O-N 3.16Å; Q704-M706 VanDerWaalsContact C-N 3.32Å
705	A	83.4	Confident	68.8	Low	85 Å²	85	85 Å²	85	70%	0.702	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-11.9	175.8	0	0	0	0	0	113.9	E701 V702 L703	E701-A705 VanDerWaalsContact O-CB 3.29Å; E701-A705 WeakPolarHBondContact O-CB 3.27Å; E701-A705 PolarHBondContact O-N 3.08Å; V702-A705 PolarHBondContact O-N 3.42Å; L703-A705 VanDerWaalsContact C-N 3.31Å
706	M	75.8	Confident	65.9	Low	49 Å²	49	92.6 Å²	92.6	24%	0.241	48%	0.481	C	S	.	.	S	Bend	trans	-69.3	143.8	168.7	-62.5	-164.3	-56	0	0	109.7	A594 H598 V702 L703 Q704 L708	A594-M706 HydrophobicContact CB-SD 3.99Å; H598-M706 HydrophobicContact CB-SD 4.46Å; V702-M706 WeakPolarHBondContact O-CG 3.47Å; V702-M706 PolarHBondContact O-N 3.09Å; L703-M706 HydrophobicContact CD2-CE 3.51Å; L703-M706 HydrophobicContact CD2-SD 4.42Å; L703-M706 WeakPolarHBondContact O-CB 3.44Å; L703-M706 PolarHBondContact O-N 3.34Å; Q704-M706 VanDerWaalsContact C-N 3.32Å; M706-L708 PolarHBondContact O-N 2.93Å
707	P	66.8	Low	63	Low	87 Å²	87	99.5 Å²	99.5	57%	0.565	51%	0.51	S	S	*	.			trans	-66.3	98	176.6	28	-34.2	0	0	0	110
708	L	56.4	Low	60.1	Low	125 Å²	125	107.4 Å²	107.4	65%	0.654	54%	0.544	S	S	*	.			trans	-55.5	144.6	159.1	-64.9	176.9	0	0	0	108.1	M706 D710	M706-L708 PolarHBondContact O-N 2.93Å; L708-D710 VanDerWaalsContact C-N 3.28Å; L708-D710 PolarHBondContact O-N 3.16Å
709	N	47.4	Very low	57.3	Low	90 Å²	90	112.5 Å²	112.5	48%	0.481	58%	0.579	S	S	.	*			trans	-64.3	80	-172.1	-72.9	-51.1	0	0	0	112.6	L711	N709-L711 PolarHBondContact O-N 3.15Å
710	D	41.1	Very low	54.7	Low	151 Å²	151	121.3 Å²	121.3	81%	0.807	61%	0.613	S	S	*	*			trans	-76.2	26.8	175.8	-106.2	-26.2	0	0	0	113	L708 K712	L708-D710 VanDerWaalsContact C-N 3.28Å; L708-D710 PolarHBondContact O-N 3.16Å; D710-K712 PolarHBondContact O-N 3.13Å
711	L	39	Very low	51.9	Low	143 Å²	143	127.9 Å²	127.9	75%	0.749	64%	0.638	S	S	*	*			trans	-73.2	61.4	154.3	-78.9	164.6	0	0	0	109.5	N709	N709-L711 PolarHBondContact O-N 3.15Å
712	K	30.4	Very low	49.3	Very low	170 Å²	170	132.9 Å²	132.9	74%	0.739	66%	0.662	S	S	*	*			trans	-47.9	120.4	156	-159.8	174.5	-161.5	165.1	0	106	D710 T714	D710-K712 PolarHBondContact O-N 3.13Å; K712-T714 PolarHBondContact O-N 3.34Å
713	P	30	Very low	46.9	Very low	112 Å²	112	140.7 Å²	140.7	73%	0.727	70%	0.697	S	S	*	*			trans	-58.1	116.2	-171.8	21.6	-32.8	0	0	0	108.5	R715	P713-R715 VanDerWaalsContact C-N 3.3Å; P713-R715 PolarHBondContact O-N 2.94Å
714	T	34.6	Very low	44.4	Very low	119 Å²	119	145.2 Å²	145.2	73%	0.73	73%	0.729	S	S	*	*			trans	-66	91.8	-177.8	32.4	0	0	0	0	108.6	K712 H716	K712-T714 PolarHBondContact O-N 3.34Å; T714-H716 PolarHBondContact O-N 3.42Å
715	R	33.9	Very low	42.5	Very low	240 Å²	240	144.9 Å²	144.9	91%	0.906	74%	0.74	S	S	*	*			trans	-68.1	57.7	167.3	-80.3	-167.2	168.7	-160.9	-0.3	110.5	P713	P713-R715 VanDerWaalsContact C-N 3.3Å; P713-R715 PolarHBondContact O-N 2.94Å
716	H	32.4	Very low	40.4	Very low	164 Å²	164	144.1 Å²	144.1	76%	0.759	74%	0.741	S	S	*	*			trans	-144.9	40.8	-175.8	-77.3	-67.9	0	0	0	111.8	T714	T714-H716 PolarHBondContact O-N 3.42Å
717	F	33.8	Very low	38.5	Very low	189 Å²	189	146.9 Å²	146.9	83%	0.829	76%	0.763	S	S	*	*			trans	-153.3	60.2	159.5	-132.6	-86.9	0	0	0	114.9
718	F	30.9	Very low	37.3	Very low	215 Å²	215	150.3 Å²	150.3	94%	0.943	78%	0.777	S	S	*	*			trans	-129.2	70.1	152.6	-89.1	-78.6	0	0	0	108.4
719	S	34.4	Very low	36.4	Very low	108 Å²	108	149.3 Å²	149.3	76%	0.755	78%	0.78	S	S	*	*			trans	-76.5	137.5	159.8	-169.6	0	0	0	0	108.2	F721	S719-F721 PolarHBondContact O-N 3.23Å
720	Y	37.3	Very low	36.3	Very low	194 Å²	194	151.8 Å²	151.8	76%	0.761	80%	0.799	S	S	*	*			trans	-55.4	131.8	-175.2	-92.9	-121.6	0	0	0	112.4	Q722	Y720-Q722 VanDerWaalsContact C-N 3.28Å; Y720-Q722 PolarHBondContact O-N 3.48Å
721	F	30.7	Very low	36.3	Very low	226 Å²	226	155.8 Å²	155.8	99%	0.991	80%	0.802	S	S	*	*			trans	-69.7	91	154.2	-124	-85.2	0	0	0	107.2	S719	S719-F721 PolarHBondContact O-N 3.23Å
722	Q	34.8	Very low	36.4	Very low	155 Å²	155	154.8 Å²	154.8	72%	0.724	80%	0.804	S	S	*	*			trans	-122.1	122.6	175.8	-166.2	150.2	-6.5	0	0	109.7	Y720	Y720-Q722 VanDerWaalsContact C-N 3.28Å; Y720-Q722 PolarHBondContact O-N 3.48Å
723	Q	38.3	Very low	36.8	Very low	174 Å²	174	151.3 Å²	151.3	81%	0.813	81%	0.807	S	S	*	*			trans	-65	143.6	-171.3	-64.8	168	-66	0	0	111.7	S725	Q723-S725 PolarHBondContact O-N 3.34Å
724	P	34.7	Very low	37.4	Very low	134 Å²	134	150.2 Å²	150.2	87%	0.87	81%	0.808	S	S	*	*			trans	-84.8	107.9	178.2	32.5	-32	0	0	0	111.1
725	S	45.9	Very low	37.8	Very low	112 Å²	112	150.2 Å²	150.2	78%	0.783	81%	0.808	S	S	*	*			trans	-154.1	122.1	167.3	59	0	0	0	0	113	Q723	Q723-S725 PolarHBondContact O-N 3.34Å
726	G	40	Very low	38.2	Very low	70 Å²	70	146.8 Å²	146.8	72%	0.722	80%	0.8	S	S	*	*			trans	87.2	80	146.6	0	0	0	0	0	118.8
727	C	35.2	Very low	38.6	Very low	107 Å²	107	149.3 Å²	149.3	72%	0.723	80%	0.802	S	S	*	*			trans	23.1	137.6	136.8	62.3	0	0	0	0	122.8
728	N	42	Very low	39.1	Very low	158 Å²	158	150.7 Å²	150.7	85%	0.845	83%	0.826	S	S	*	*			trans	71.4	144.8	151.5	-54	-23.2	0	0	0	117.8
729	S	38.8	Very low	39.5	Very low	104 Å²	104	147.5 Å²	147.5	73%	0.727	82%	0.82	S	S	*	*			cis	-168.9	170.4	-20.9	-173.5	0	0	0	0	108.3
730	V	43.6	Very low	39.7	Very low	143 Å²	143	149.5 Å²	149.5	87%	0.867	82%	0.823	S	S	*	*			trans	81.4	147.8	167.3	-166.3	0	0	0	0	116.9
731	R	41.4	Very low	39.9	Very low	234 Å²	234	147.1 Å²	147.1	88%	0.883	83%	0.826	S	S	*	*			trans	-99.2	166.1	-156.3	-96.6	-177.9	169.3	-158.7	-1.3	114.9
732	P	40.5	Very low	40.4	Very low	122 Å²	122	142.4 Å²	142.4	79%	0.792	82%	0.817	S	S	*	*			trans	-94.9	162.7	-173.8	38.5	-36.3	0	0	0	114.2
733	A	40.9	Very low	40.8	Very low	97 Å²	97	141.6 Å²	141.6	80%	0.802	82%	0.823	S	S	*	*			trans	-155.1	134.6	156.1	0	0	0	0	0	113.4
734	A	41.9	Very low	40.9	Very low	89 Å²	89	139.5 Å²	139.5	74%	0.736	82%	0.823	S	S	*	*			trans	68.3	105	136.6	0	0	0	0	0	122.6
735	T	42.4	Very low	41.4	Very low	119 Å²	119	139.9 Å²	139.9	73%	0.73	82%	0.82	S	S	*	*				91.9	113.7	107.4	-58.5	0	0	0	0	121.6
736	K	42.3	Very low	41	Very low	169 Å²	169	142 Å²	142	74%	0.735	82%	0.823	S	S	*	*			trans	79.1	133.8	143.5	-84.9	173.2	-178.6	172	0	122.8
737	R	40.5	Very low	41.1	Very low	217 Å²	217	148 Å²	148	82%	0.819	83%	0.831	S	S	*	*			trans	67	130.9	148.3	-66.1	170.8	177	178.8	-4.4	115
738	V	44.2	Very low	41.7	Very low	217 Å²	217	151.7 Å²	151.7	100%	1.315	84%	0.841	S	S	*	*			cis	-99.5	0	34.1	179.8	0	0	0	0	113.4

Retrieved 738 of 738 residues in 681.2 ms (Link to these results)

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