A0A096NX22_PAPAN Loading...

Matrix metalloproteinase-9

Matrix metalloproteinase that plays an essential role in local proteolysis of the extracellular matrix and in leukocyte migration. Could play a role in bone osteoclastic resorption. Cleaves KiSS1 at a Gly-|-Leu bond. Cleaves NINJ1 to generate the Secreted ninjurin-1 form. Cleaves type IV and type V collagen into large C-terminal three quarter fragments and shorter N-terminal one quarter fragments. Degrades fibronectin but not laminin or Pz-peptide.

AlphaFold DB , UniProt , Accession A0A096NX22, Species PAPAN (Papio anubis, Olive baboon), Gene MMP9, Length 707 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	39	Very low	239 Å²	239	153.7 Å²	153.7	100%	1.177	83%	0.829	S	S	*	*				0	83.9	0	-59.6	168.3	98.1	0	0	105.3
2	S	34.2	Very low	38.8	Very low	109 Å²	109	153.8 Å²	153.8	76%	0.762	83%	0.828	S	S	*	*				56.1	125	80.3	-137.2	0	0	0	0	111
3	L	37.1	Very low	38.8	Very low	130 Å²	130	152.9 Å²	152.9	68%	0.681	83%	0.83	S	S	*	*			cis	-155.3	146.7	23.1	-88.1	98.5	0	0	0	111.3
4	W	35.7	Very low	39.2	Very low	234 Å²	234	154.4 Å²	154.4	89%	0.886	84%	0.836	S	S	*	*			trans	75.3	116.2	132	-69.4	34.6	0	0	0	122.9
5	Q	39.1	Very low	39.2	Very low	165 Å²	165	148.5 Å²	148.5	77%	0.771	83%	0.825	S	S	*	*			trans	-55.8	166.3	149.4	-96.9	175.5	-20.4	0	0	112.4
6	P	48.6	Very low	39	Very low	120 Å²	120	147.1 Å²	147.1	78%	0.779	83%	0.827	S	S	*	*			cis	-147	176.7	43.3	37.7	-14.6	0	0	0	118.6
7	L	44.3	Very low	38.8	Very low	148 Å²	148	145.4 Å²	145.4	78%	0.775	83%	0.825	S	S	*	*			trans	-45.6	146.3	164.6	-75.3	95.3	0	0	0	112.9
8	V	41.1	Very low	38.7	Very low	133 Å²	133	144.5 Å²	144.5	81%	0.806	83%	0.828	S	S	*	*			trans	141	82.3	143	175.8	0	0	0	0	108.5
9	L	35.4	Very low	38.6	Very low	156 Å²	156	141.7 Å²	141.7	82%	0.817	82%	0.824	S	S	*	*			trans	-166	41.3	146	-131.7	84.3	0	0	0	111.4	L11	L9-L11 VanDerWaalsContact C-N 3.3Å; L9-L11 PolarHBondContact O-N 3.09Å
10	A	36.7	Very low	38.6	Very low	107 Å²	107	138.4 Å²	138.4	88%	0.884	81%	0.814	S	S	*	*			trans	-90.2	57.9	173.9	0	0	0	0	0	110.9
11	L	40.7	Very low	38.4	Very low	150 Å²	150	137.8 Å²	137.8	79%	0.785	81%	0.814	S	S	*	*			trans	-150	17.6	-178.1	-112.4	162.5	0	0	0	116.6	L9	L9-L11 VanDerWaalsContact C-N 3.3Å; L9-L11 PolarHBondContact O-N 3.09Å
12	L	36.3	Very low	38.2	Very low	155 Å²	155	137.9 Å²	137.9	81%	0.812	80%	0.801	S	S	*	*	S	Bend	trans	-138.3	33.5	-179.4	-90.7	170	0	0	0	116.1
13	V	39.5	Very low	38.4	Very low	142 Å²	142	141.4 Å²	141.4	86%	0.861	81%	0.806	S	S	*	*			trans	-141.3	49.2	160	-161.4	0	0	0	0	110.5
14	L	44	Very low	38.4	Very low	174 Å²	174	145.8 Å²	145.8	91%	0.911	81%	0.813	S	S	*	*			trans	-103.8	86.7	162.3	-99	153.7	0	0	0	106.7
15	G	39.1	Very low	38.4	Very low	65 Å²	65	146 Å²	146	67%	0.67	81%	0.814	S	S	*	*			trans	175.8	27	-176.1	0	0	0	0	0	116
16	C	35.5	Very low	38.9	Very low	126 Å²	126	142.7 Å²	142.7	85%	0.851	81%	0.809	S	S	*	*			trans	-100.5	90.6	159.8	-101.1	0	0	0	0	107.1	C18	C16-C18 PolarHBondContact O-N 3Å
17	C	35.4	Very low	39.4	Very low	119 Å²	119	141.3 Å²	141.3	80%	0.804	80%	0.798	S	S	*	*			trans	-50.5	122.9	170.9	-66.1	0	0	0	0	109.6	A19	C17-A19 PolarHBondContact O-N 2.87Å
18	C	37.7	Very low	40.2	Very low	129 Å²	129	138.5 Å²	138.5	87%	0.872	78%	0.784	S	S	*	*			trans	-54.8	87.9	147.4	-60.3	0	0	0	0	107.5	C16 A20	C16-C18 PolarHBondContact O-N 3Å; C18-A20 PolarHBondContact O-N 2.85Å
19	A	36.4	Very low	41.7	Very low	91 Å²	91	134 Å²	134	75%	0.752	76%	0.757	S	S	*	*			trans	-71.9	86.7	162.7	0	0	0	0	0	106.3	C17	C17-A19 PolarHBondContact O-N 2.87Å
20	A	38.2	Very low	43.1	Very low	75 Å²	75	132.8 Å²	132.8	62%	0.62	75%	0.75	S	S	*	*			trans	-48.3	139.1	158.6	0	0	0	0	0	107.7	C18 R22	C18-A20 PolarHBondContact O-N 2.85Å; A20-R22 PolarHBondContact O-N 2.99Å
21	P	35.4	Very low	44.9	Very low	126 Å²	126	128 Å²	128	82%	0.818	71%	0.71	S	S	*	*			trans	-54.4	115.5	174.6	21.9	-30.1	0	0	0	107.1	Q23	P21-Q23 PolarHBondContact O-N 2.9Å
22	R	32.3	Very low	46	Very low	241 Å²	241	123.6 Å²	123.6	91%	0.909	69%	0.69	S	S	*	*			trans	-54.9	108.7	171.4	-94.5	-180	166.5	162	-4	105.9	A20 R24	A20-R22 PolarHBondContact O-N 2.99Å; R22-R24 PolarHBondContact O-N 3.29Å
23	Q	37.3	Very low	47	Very low	184 Å²	184	119.2 Å²	119.2	86%	0.86	68%	0.682	S	S	*	*			trans	-51	112	159.6	-85	178.1	-32.2	0	0	105.7	P21 R25	P21-Q23 PolarHBondContact O-N 2.9Å; Q23-R25 VanDerWaalsContact C-N 3.35Å; Q23-R25 PolarHBondContact O-N 2.03Å
24	R	36.8	Very low	48.1	Very low	222 Å²	222	113.9 Å²	113.9	84%	0.838	65%	0.648	S	S	*	*			trans	-58.2	105	170.8	-85.5	-179.4	174.4	178.2	-0.8	105.5	R22 S26	R22-R24 PolarHBondContact O-N 3.29Å; R24-S26 PolarHBondContact O-N 3.12Å
25	R	36.9	Very low	48.3	Very low	239 Å²	239	113.1 Å²	113.1	90%	0.902	64%	0.644	S	S	*	*			trans	-60.4	112.4	166.3	-80	-179	174.1	178.6	-2.9	105.8	Q23 T27	Q23-R25 VanDerWaalsContact C-N 3.35Å; Q23-R25 PolarHBondContact O-N 2.03Å; R25-T27 PolarHBondContact O-N 3.02Å; R25-T27 VanDerWaalsContact O-N 3.16Å
26	S	50	Low	48.9	Very low	95 Å²	95	114.4 Å²	114.4	66%	0.664	63%	0.632	S	S	*	*			trans	-59.8	115.9	168.2	53.1	0	0	0	0	107.4	R24 L28	R24-S26 PolarHBondContact O-N 3.12Å; S26-L28 PolarHBondContact O-N 3.04Å
27	T	58.5	Low	49.7	Very low	90 Å²	90	111.9 Å²	111.9	55%	0.552	61%	0.612	S	S	*	*			trans	-69.6	113.6	175.1	-60.3	0	0	0	0	107.5	R25 V29 G365	R25-T27 PolarHBondContact O-N 3.02Å; R25-T27 VanDerWaalsContact O-N 3.16Å; T27-V29 HydrophobicContact CG2-CG2 4.38Å; T27-G365 WeakPolarHBondContact O-CA 3.45Å
28	L	61.5	Low	50.6	Low	90 Å²	90	112.3 Å²	112.3	47%	0.471	61%	0.606	S	S	.	*			trans	-70.7	127.3	171.9	-179.6	67.1	0	0	0	108.5	S26 G365 R367	S26-L28 PolarHBondContact O-N 3.04Å; L28-G365 WeakPolarHBondContact CD1-O 3.47Å; L28-R367 HydrophobicContact CD1-CB 4.43Å; L28-R367 HydrophobicContact CD1-CG 3.83Å
29	V	72.3	Confident	51.9	Low	39 Å²	39	110 Å²	110	24%	0.236	59%	0.585	C	S	.	*			trans	-117.4	138.7	177.3	-178.9	0	0	0	0	108.3	T27 F31 F353 L354 G365	T27-V29 HydrophobicContact CG2-CG2 4.38Å; V29-F31 HydrophobicContact CB-CE2 4.35Å; V29-F31 WeakPolarHBondContact O-CD2 3.48Å; V29-F353 HydrophobicContact CG2-CZ 4.11Å; V29-L354 HydrophobicContact CG2-CD1 4.44Å; V29-G365 PolarHBondContact N-O 3.49Å
30	L	65.3	Low	54	Low	130 Å²	130	109.4 Å²	109.4	68%	0.681	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-83.3	116.6	171.4	-169.3	74.8	0	0	0	108.6
31	F	74.3	Confident	56.3	Low	7 Å²	7	109.3 Å²	109.3	3%	0.031	56%	0.561	C	S	.	*	P	Polyproline II helix	trans	-85	134.5	178.9	-73.6	-95	0	0	0	110.9	V29 G33 D34 F353 R366 W372 F379 W385	V29-F31 HydrophobicContact CB-CE2 4.35Å; V29-F31 WeakPolarHBondContact O-CD2 3.48Å; F31-G33 PolarHBondContact O-N 3.46Å; F31-D34 HydrophobicContact CB-CB 4.32Å; F31-D34 WeakPolarHBondContact O-CB 3.44Å; F31-D34 PolarHBondContact O-N 2.85Å; F31-F353 HydrophobicContact CZ-CZ 4.38Å; F31-R366 HydrophobicContact CD2-CG 4.22Å; F31-R366 HydrophobicContact CE2-CG 3.58Å; F31-R366 HydrophobicContact CZ-CG 4.18Å; F31-W372 AromaticContact CE1-CD2 3.79Å; F31-W372 HydrophobicContact CE1-CD2 3.79Å; F31-W372 AromaticContact CE1-CE2 3.55Å; F31-W372 HydrophobicContact CE1-CE3 4.02Å; F31-W372 HydrophobicContact CE1-CG 4.46Å; F31-W372 AromaticContact CE1-CH2 3.85Å; F31-W372 HydrophobicContact CE1-CH2 3.85Å; F31-W372 AromaticContact CE1-CZ2 3.59Å; F31-W372 HydrophobicContact CE1-CZ2 3.59Å; F31-W372 HydrophobicContact CE1-CZ3 4.06Å; F31-W372 HydrophobicContact CZ-CD2 4.06Å; F31-W372 AromaticContact CZ-CE2 3.44Å; F31-W372 VanDerWaalsContact CZ-CE2 3.44Å; F31-W372 HydrophobicContact CZ-CH2 4.31Å; F31-W372 AromaticContact CZ-CZ2 3.6Å; F31-W372 HydrophobicContact CZ-CZ2 3.6Å; F31-W372 AromaticContact CZ-NE1 3.52Å; F31-F379 HydrophobicContact CD1-CE2 4.12Å; F31-F379 AromaticContact CD1-CZ 3.74Å; F31-F379 HydrophobicContact CD1-CZ 3.74Å; F31-F379 HydrophobicContact CE1-CE1 4.39Å; F31-F379 HydrophobicContact CE1-CE2 4.09Å; F31-F379 AromaticContact CE1-CZ 3.69Å; F31-F379 HydrophobicContact CE1-CZ 3.69Å; F31-W385 HydrophobicContact CB-CD2 4.36Å; F31-W385 HydrophobicContact CB-CH2 3.95Å; F31-W385 HydrophobicContact CB-CZ2 3.29Å; F31-W385 AromaticContact CD1-CD2 3.5Å; F31-W385 HydrophobicContact CD1-CD2 3.5Å; F31-W385 AromaticContact CD1-CE2 3.56Å; F31-W385 AromaticContact CD1-CE3 3.87Å; F31-W385 HydrophobicContact CD1-CE3 3.87Å; F31-W385 AromaticContact CD1-CG 3.93Å; F31-W385 HydrophobicContact CD1-CG 3.93Å; F31-W385 HydrophobicContact CD1-CH2 4.32Å; F31-W385 HydrophobicContact CD1-CZ2 4Å; F31-W385 HydrophobicContact CD1-CZ3 4.25Å; F31-W385 AromaticContact CD1-NE1 3.91Å; F31-W385 HydrophobicContact CE1-CD2 4.18Å; F31-W385 HydrophobicContact CE1-CE3 4.25Å; F31-W385 HydrophobicContact CG-CD2 4.23Å; F31-W385 AromaticContact CG-CE2 3.88Å; F31-W385 HydrophobicContact CG-CE3 4.49Å; F31-W385 HydrophobicContact CG-CH2 4.15Å; F31-W385 AromaticContact CG-CZ2 3.86Å; F31-W385 HydrophobicContact CG-CZ2 3.86Å; F31-W385 HydrophobicContact CG-CZ3 4.45Å
32	P	64.3	Low	58.6	Low	57 Å²	57	109.1 Å²	109.1	37%	0.37	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	131.2	175.8	-20.4	31.8	0	0	0	111.5	K383 W385	P32-K383 HydrophobicContact CG-CB 4.38Å; P32-W385 PolarHBondContact O-NE1 3.04Å; P32-W385 VanDerWaalsContact O-NE1 3.15Å
33	G	56.9	Low	61	Low	62 Å²	62	101.8 Å²	101.8	64%	0.639	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.1	-6.3	179.7	0	0	0	0	0	115.2	F31 L35	F31-G33 PolarHBondContact O-N 3.46Å; G33-L35 PolarHBondContact O-N 2.81Å
34	D	61.1	Low	63.3	Low	30 Å²	30	94.8 Å²	94.8	16%	0.16	49%	0.488	C	S	.	.			trans	-94.4	78.7	-175.8	-163.3	-16.5	0	0	0	111.4	F31 T37 R366 W385	F31-D34 HydrophobicContact CB-CB 4.32Å; F31-D34 WeakPolarHBondContact O-CB 3.44Å; F31-D34 PolarHBondContact O-N 2.85Å; D34-T37 PolarHBondContact O-OG1 3.17Å; D34-T37 VanDerWaalsContact OD1-CG2 3.3Å; D34-T37 WeakPolarHBondContact OD1-CG2 3Å; D34-T37 PolarHBondContact OD1-OG1 3.45Å; D34-R366 IonicContact OD2-CZ 3.61Å; D34-R366 IonicContact OD2-NH1 3.86Å; D34-R366 PolarHBondContact OD2-NH1 2.88Å; D34-R366 IonicContact OD2-NH2 3.92Å; D34-R366 PolarHBondContact OD2-NH2 3.14Å; D34-W385 HydrophobicContact CB-CZ2 4.4Å
35	L	49.9	Very low	65.7	Low	159 Å²	159	84.2 Å²	84.2	83%	0.832	45%	0.449	S	S	*	.			trans	-78.3	-25.3	-172.7	-76.9	160.2	0	0	0	114.1	G33	G33-L35 PolarHBondContact O-N 2.81Å
36	K	51.2	Low	68	Low	92 Å²	92	75.1 Å²	75.1	40%	0.4	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-77.6	-24.1	-174.5	-80.5	179.7	171.9	172.3	0	114.1	N38 D182 G183 D185	K36-N38 PolarHBondContact O-N 3.2Å; K36-D182 VanDerWaalsContact CE-CB 3.49Å; K36-D182 WeakPolarHBondContact CE-O 2.92Å; K36-D182 WeakPolarHBondContact CE-OD2 3.46Å; K36-D182 VanDerWaalsContact NZ-C 3.3Å; K36-D182 VanDerWaalsContact NZ-CB 3.27Å; K36-D182 PolarHBondContact NZ-O 2.87Å; K36-D182 IonicContact NZ-OD1 3.87Å; K36-D182 PolarHBondContact NZ-OD1 3.33Å; K36-D182 IonicContact NZ-OD2 3.79Å; K36-D182 PolarHBondContact NZ-OD2 3.4Å; K36-G183 PolarHBondContact NZ-O 2.77Å; K36-D185 PolarHBondContact NZ-O 2.86Å
37	T	51.9	Low	69.4	Low	72 Å²	72	74.4 Å²	74.4	44%	0.442	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-69.8	-1.3	-179.1	50.9	0	0	0	0	114.4	D34	D34-T37 PolarHBondContact O-OG1 3.17Å; D34-T37 VanDerWaalsContact OD1-CG2 3.3Å; D34-T37 WeakPolarHBondContact OD1-CG2 3Å; D34-T37 PolarHBondContact OD1-OG1 3.45Å
38	N	55.2	Low	70.7	Confident	128 Å²	128	70.7 Å²	70.7	68%	0.684	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-103.8	-2.1	-174.1	-130.1	2.6	0	0	0	114.7	K36	K36-N38 PolarHBondContact O-N 3.2Å
39	L	64.3	Low	72	Confident	81 Å²	81	66.4 Å²	66.4	42%	0.424	36%	0.359	S	S	.	.			trans	-78.5	137.2	177	-66	175.6	0	0	0	111.1	Q43	L39-Q43 HydrophobicContact CB-CB 4.34Å; L39-Q43 HydrophobicContact CD2-CB 4.02Å
40	T	81.5	Confident	72.4	Confident	78 Å²	78	70 Å²	70	48%	0.479	37%	0.369	S	S	.	.			trans	-68.2	153.8	165.9	62.1	0	0	0	0	110.1	R42 Q43 L44	T40-R42 PolarHBondContact O-N 3.3Å; T40-R42 VanDerWaalsContact O-N 3.08Å; T40-Q43 PolarHBondContact O-N 3.04Å; T40-Q43 VanDerWaalsContact OG1-CG 3.31Å; T40-Q43 WeakPolarHBondContact OG1-CG 3.3Å; T40-Q43 PolarHBondContact OG1-N 3.3Å; T40-Q43 PolarHBondContact OG1-OE1 3.35Å; T40-L44 PolarHBondContact O-N 2.67Å
41	D	84.6	Confident	73.1	Confident	74 Å²	74	67.3 Å²	67.3	40%	0.396	35%	0.35	S	S	.	.	H	α-helix	trans	-51.9	-35.3	176.5	-74.3	-28	0	0	0	112.2	A45 L86 L91 R95	D41-A45 WeakPolarHBondContact O-CB 3.48Å; D41-A45 PolarHBondContact O-N 3.18Å; D41-L86 HydrophobicContact CB-CD2 4.14Å; D41-L86 WeakPolarHBondContact O-CD2 3.49Å; D41-L91 HydrophobicContact CB-CD1 4.24Å; D41-L91 HydrophobicContact CB-CD2 3.85Å; D41-R95 IonicContact OD1-CZ 3.17Å; D41-R95 IonicContact OD1-NH2 3.67Å; D41-R95 PolarHBondContact OD1-NH2 3.24Å
42	R	84.3	Confident	73.6	Confident	122 Å²	122	67.2 Å²	67.2	46%	0.46	35%	0.349	S	S	.	.	H	α-helix	trans	-67.1	-45.7	176.3	-176	-179.8	171.5	95.3	10.6	112.7	T40 L44 A45 E46 L67	T40-R42 PolarHBondContact O-N 3.3Å; T40-R42 VanDerWaalsContact O-N 3.08Å; R42-L44 VanDerWaalsContact C-N 3.33Å; R42-A45 PolarHBondContact O-N 3.32Å; R42-E46 IonicContact CZ-OE1 3.31Å; R42-E46 IonicContact NE-OE1 3.84Å; R42-E46 PolarHBondContact NE-OE1 2.89Å; R42-E46 IonicContact NH2-OE1 3.83Å; R42-E46 PolarHBondContact NH2-OE1 3.1Å; R42-E46 WeakPolarHBondContact O-CG 2.98Å; R42-E46 PolarHBondContact O-N 3.08Å; R42-L67 HydrophobicContact CG-CD1 4.42Å
43	Q	83	Confident	74.3	Confident	87 Å²	87	66 Å²	66	41%	0.407	35%	0.347	S	S	.	.	H	α-helix	trans	-65.4	-39	178.6	-72.7	166.6	-50.3	0	0	111.6	L39 T40 A45 E46 D47	L39-Q43 HydrophobicContact CB-CB 4.34Å; L39-Q43 HydrophobicContact CD2-CB 4.02Å; T40-Q43 PolarHBondContact O-N 3.04Å; T40-Q43 VanDerWaalsContact OG1-CG 3.31Å; T40-Q43 WeakPolarHBondContact OG1-CG 3.3Å; T40-Q43 PolarHBondContact OG1-N 3.3Å; T40-Q43 PolarHBondContact OG1-OE1 3.35Å; Q43-A45 VanDerWaalsContact C-N 3.32Å; Q43-A45 PolarHBondContact O-N 3.32Å; Q43-E46 PolarHBondContact O-N 2.97Å; Q43-D47 PolarHBondContact O-N 3.29Å
44	L	84.7	Confident	75.6	Confident	36 Å²	36	63.6 Å²	63.6	19%	0.188	32%	0.318	C	S	.	.	H	α-helix	trans	-56.2	-48.7	171.5	174.2	67	0	0	0	110.6	T40 R42 E46 D47 Y48 R95	T40-L44 PolarHBondContact O-N 2.67Å; R42-L44 VanDerWaalsContact C-N 3.33Å; L44-E46 PolarHBondContact O-N 3.48Å; L44-D47 PolarHBondContact O-N 3.2Å; L44-Y48 WeakPolarHBondContact O-CB 3.32Å; L44-Y48 PolarHBondContact O-N 3.45Å; L44-R95 HydrophobicContact CD2-CG 3.85Å
45	A	87.6	Confident	76.2	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.9	-40.8	179.5	0	0	0	0	0	112.8	D41 R42 Q43 L49 L67 L86 M94	D41-A45 WeakPolarHBondContact O-CB 3.48Å; D41-A45 PolarHBondContact O-N 3.18Å; R42-A45 PolarHBondContact O-N 3.32Å; Q43-A45 VanDerWaalsContact C-N 3.32Å; Q43-A45 PolarHBondContact O-N 3.32Å; A45-L49 VanDerWaalsContact O-CB 3.3Å; A45-L49 WeakPolarHBondContact O-CB 3.33Å; A45-L49 WeakPolarHBondContact O-CD1 3.26Å; A45-L49 WeakPolarHBondContact O-CG 3.3Å; A45-L49 PolarHBondContact O-N 2.98Å; A45-L67 HydrophobicContact CB-CD1 4.38Å; A45-L86 HydrophobicContact CB-CD1 3.73Å; A45-L86 HydrophobicContact CB-CD2 3.88Å; A45-L86 HydrophobicContact CB-CG 4.46Å; A45-M94 HydrophobicContact CB-CE 3.9Å; A45-M94 HydrophobicContact CB-SD 3.84Å
46	E	84.9	Confident	76.8	Confident	48 Å²	48	65 Å²	65	22%	0.224	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-47.6	177.9	-79.2	171	177.5	0	0	112	R42 Q43 L44 Y50 M60 L67	R42-E46 IonicContact CZ-OE1 3.31Å; R42-E46 IonicContact NE-OE1 3.84Å; R42-E46 PolarHBondContact NE-OE1 2.89Å; R42-E46 IonicContact NH2-OE1 3.83Å; R42-E46 PolarHBondContact NH2-OE1 3.1Å; R42-E46 WeakPolarHBondContact O-CG 2.98Å; R42-E46 PolarHBondContact O-N 3.08Å; Q43-E46 PolarHBondContact O-N 2.97Å; L44-E46 PolarHBondContact O-N 3.48Å; E46-Y50 WeakPolarHBondContact O-CB 3.2Å; E46-Y50 PolarHBondContact O-N 2.9Å; E46-Y50 VanDerWaalsContact O-N 3.12Å; E46-M60 HydrophobicContact CB-CE 3.9Å; E46-M60 HydrophobicContact CG-CE 4.18Å; E46-L67 HydrophobicContact CG-CD1 4.25Å; E46-L67 HydrophobicContact CG-CD2 3.97Å
47	D	80.6	Confident	76.5	Confident	80 Å²	80	65.1 Å²	65.1	43%	0.428	32%	0.321	S	S	.	.	H	α-helix	trans	-64	-44.6	176.7	-173.5	68.9	0	0	0	111.7	Q43 L44 Y50 R51	Q43-D47 PolarHBondContact O-N 3.29Å; L44-D47 PolarHBondContact O-N 3.2Å; D47-Y50 PolarHBondContact O-N 2.9Å; D47-R51 WeakPolarHBondContact O-CB 3.38Å; D47-R51 PolarHBondContact O-N 2.8Å; D47-R51 IonicContact OD2-NH1 2.74Å
48	Y	86.5	Confident	76.1	Confident	12 Å²	12	65.8 Å²	65.8	5%	0.047	33%	0.334	C	S	.	.	H	α-helix	trans	-60.7	-51.2	178.8	-167.5	-75.6	0	0	0	111.6	L44 Y50 R51 Y52 L74 M94 R98	L44-Y48 WeakPolarHBondContact O-CB 3.32Å; L44-Y48 PolarHBondContact O-N 3.45Å; Y48-Y50 VanDerWaalsContact C-N 3.26Å; Y48-Y50 PolarHBondContact O-N 2.81Å; Y48-R51 PolarHBondContact O-N 2.86Å; Y48-Y52 AromaticContact CD1-CD2 3.52Å; Y48-Y52 HydrophobicContact CD1-CD2 3.52Å; Y48-Y52 AromaticContact CD1-CE2 3.99Å; Y48-Y52 HydrophobicContact CD1-CE2 3.99Å; Y48-Y52 HydrophobicContact CD2-CD2 4.07Å; Y48-Y52 AromaticContact CD2-CE2 3.66Å; Y48-Y52 HydrophobicContact CD2-CE2 3.66Å; Y48-Y52 AromaticContact CE1-CD2 3.42Å; Y48-Y52 HydrophobicContact CE1-CD2 3.42Å; Y48-Y52 VanDerWaalsContact CE1-CD2 3.42Å; Y48-Y52 AromaticContact CE1-CE2 3.85Å; Y48-Y52 HydrophobicContact CE1-CE2 3.85Å; Y48-Y52 HydrophobicContact CE1-CG 4.36Å; Y48-Y52 HydrophobicContact CE2-CD2 4.01Å; Y48-Y52 AromaticContact CE2-CE2 3.52Å; Y48-Y52 HydrophobicContact CE2-CE2 3.52Å; Y48-Y52 AromaticContact CG-CD2 3.84Å; Y48-Y52 HydrophobicContact CG-CD2 3.84Å; Y48-Y52 AromaticContact CG-CE2 3.89Å; Y48-Y52 HydrophobicContact CG-CE2 3.89Å; Y48-Y52 AromaticContact CZ-CD2 3.69Å; Y48-Y52 AromaticContact CZ-CE2 3.62Å; Y48-Y52 WeakPolarHBondContact O-CD2 3.48Å; Y48-Y52 PolarHBondContact O-N 3.08Å; Y48-Y52 VanDerWaalsContact O-N 3.09Å; Y48-L74 HydrophobicContact CD1-CD1 4.49Å; Y48-L74 HydrophobicContact CD1-CD2 4.42Å; Y48-L74 HydrophobicContact CE1-CD1 3.79Å; Y48-L74 HydrophobicContact CE1-CD2 4.31Å; Y48-M94 HydrophobicContact CD1-CE 4.23Å; Y48-M94 HydrophobicContact CD1-CG 3.99Å; Y48-M94 HydrophobicContact CD2-CB 3.86Å; Y48-M94 HydrophobicContact CD2-CG 3.93Å; Y48-M94 HydrophobicContact CE1-CG 4.18Å; Y48-M94 HydrophobicContact CE2-CB 3.97Å; Y48-M94 HydrophobicContact CE2-CG 4.11Å; Y48-M94 WeakPolarHBondContact CE2-O 3.28Å; Y48-M94 HydrophobicContact CG-CB 4.29Å; Y48-M94 HydrophobicContact CG-CE 4.49Å; Y48-M94 HydrophobicContact CG-CG 3.87Å; Y48-M94 HydrophobicContact CG-SD 4.41Å; Y48-R98 WeakPolarHBondContact OH-CD 3.23Å; Y48-R98 PolarHBondContact OH-NH1 3.31Å
49	L	87	Confident	75.7	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63.3	-35.7	-178.8	-69.9	169.4	0	0	0	111.7	A45 G53 Y54 T55 L67 A70 L71 L74 M94	A45-L49 VanDerWaalsContact O-CB 3.3Å; A45-L49 WeakPolarHBondContact O-CB 3.33Å; A45-L49 WeakPolarHBondContact O-CD1 3.26Å; A45-L49 WeakPolarHBondContact O-CG 3.3Å; A45-L49 PolarHBondContact O-N 2.98Å; L49-G53 PolarHBondContact O-N 3.37Å; L49-Y54 HydrophobicContact CD2-CD2 4.09Å; L49-Y54 HydrophobicContact CD2-CG 3.9Å; L49-Y54 WeakPolarHBondContact O-CA 3.4Å; L49-Y54 WeakPolarHBondContact O-CB 3.08Å; L49-Y54 PolarHBondContact O-N 2.64Å; L49-T55 HydrophobicContact CB-CG2 4.02Å; L49-T55 PolarHBondContact O-N 3.05Å; L49-L67 HydrophobicContact CD1-CB 4.44Å; L49-L67 HydrophobicContact CD1-CD2 4.11Å; L49-A70 HydrophobicContact CD1-CB 3.99Å; L49-A70 HydrophobicContact CD2-CB 4.12Å; L49-L71 HydrophobicContact CD1-CD2 4.05Å; L49-L71 HydrophobicContact CD1-CG 4.24Å; L49-L71 HydrophobicContact CD2-CD2 4.41Å; L49-L74 HydrophobicContact CD2-CB 4.04Å; L49-L74 HydrophobicContact CD2-CD2 3.91Å; L49-M94 HydrophobicContact CD2-CE 4.36Å; L49-M94 HydrophobicContact CG-CE 4.25Å
50	Y	80.9	Confident	74.8	Confident	115 Å²	115	64.1 Å²	64.1	45%	0.451	32%	0.321	S	S	.	.	H	α-helix	trans	-65.8	-52.9	174.8	176.1	-105	0	0	0	111.8	E46 D47 Y48 Y52 G53 T55 V57 M60	E46-Y50 WeakPolarHBondContact O-CB 3.2Å; E46-Y50 PolarHBondContact O-N 2.9Å; E46-Y50 VanDerWaalsContact O-N 3.12Å; D47-Y50 PolarHBondContact O-N 2.9Å; Y48-Y50 VanDerWaalsContact C-N 3.26Å; Y48-Y50 PolarHBondContact O-N 2.81Å; Y50-Y52 VanDerWaalsContact C-N 3.32Å; Y50-Y52 PolarHBondContact O-N 3.32Å; Y50-G53 PolarHBondContact O-N 3.44Å; Y50-T55 VanDerWaalsContact CA-OG1 3.32Å; Y50-T55 WeakPolarHBondContact CA-OG1 3.4Å; Y50-T55 PolarHBondContact N-OG1 2.74Å; Y50-V57 HydrophobicContact CE2-CG2 3.66Å; Y50-M60 HydrophobicContact CD2-SD 4.22Å; Y50-M60 HydrophobicContact CG-SD 4.39Å
51	R	80.1	Confident	72.9	Confident	74 Å²	74	69.1 Å²	69.1	28%	0.279	34%	0.339	S	S	.	.	H	α-helix	trans	-59.5	-40.6	-175.8	178.7	171.3	-104.9	160.8	-17.5	112.7	D47 Y48 P180	D47-R51 WeakPolarHBondContact O-CB 3.38Å; D47-R51 PolarHBondContact O-N 2.8Å; D47-R51 IonicContact OD2-NH1 2.74Å; Y48-R51 PolarHBondContact O-N 2.86Å; R51-P180 PolarHBondContact NH2-O 2.91Å; R51-P180 VanDerWaalsContact NH2-O 3.14Å
52	Y	85.3	Confident	71.1	Confident	5 Å²	5	67.7 Å²	67.7	2%	0.02	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	12	-177.8	-57.5	-68.3	0	0	0	114.2	Y48 Y50 R98 C99 D103 L104 L187	Y48-Y52 AromaticContact CD1-CD2 3.52Å; Y48-Y52 HydrophobicContact CD1-CD2 3.52Å; Y48-Y52 AromaticContact CD1-CE2 3.99Å; Y48-Y52 HydrophobicContact CD1-CE2 3.99Å; Y48-Y52 HydrophobicContact CD2-CD2 4.07Å; Y48-Y52 AromaticContact CD2-CE2 3.66Å; Y48-Y52 HydrophobicContact CD2-CE2 3.66Å; Y48-Y52 AromaticContact CE1-CD2 3.42Å; Y48-Y52 HydrophobicContact CE1-CD2 3.42Å; Y48-Y52 VanDerWaalsContact CE1-CD2 3.42Å; Y48-Y52 AromaticContact CE1-CE2 3.85Å; Y48-Y52 HydrophobicContact CE1-CE2 3.85Å; Y48-Y52 HydrophobicContact CE1-CG 4.36Å; Y48-Y52 HydrophobicContact CE2-CD2 4.01Å; Y48-Y52 AromaticContact CE2-CE2 3.52Å; Y48-Y52 HydrophobicContact CE2-CE2 3.52Å; Y48-Y52 AromaticContact CG-CD2 3.84Å; Y48-Y52 HydrophobicContact CG-CD2 3.84Å; Y48-Y52 AromaticContact CG-CE2 3.89Å; Y48-Y52 HydrophobicContact CG-CE2 3.89Å; Y48-Y52 AromaticContact CZ-CD2 3.69Å; Y48-Y52 AromaticContact CZ-CE2 3.62Å; Y48-Y52 WeakPolarHBondContact O-CD2 3.48Å; Y48-Y52 PolarHBondContact O-N 3.08Å; Y48-Y52 VanDerWaalsContact O-N 3.09Å; Y50-Y52 VanDerWaalsContact C-N 3.32Å; Y50-Y52 PolarHBondContact O-N 3.32Å; Y52-R98 VanDerWaalsContact CD1-CZ 3.42Å; Y52-R98 VanDerWaalsContact CE1-CZ 3.46Å; Y52-R98 VanDerWaalsContact CZ-CD 3.42Å; Y52-R98 VanDerWaalsContact CZ-NE 3.33Å; Y52-R98 WeakPolarHBondContact OH-CD 3.46Å; Y52-C99 WeakPolarHBondContact CE1-O 3.38Å; Y52-D103 PolarHBondContact O-N 3.08Å; Y52-D103 VanDerWaalsContact O-N 3.08Å; Y52-L104 PolarHBondContact O-N 2.72Å; Y52-L187 WeakPolarHBondContact OH-CD1 3.19Å
53	G	79.3	Confident	69.4	Low	31 Å²	31	70.6 Å²	70.6	32%	0.32	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	14.9	167.3	0	0	0	0	0	116.3	L49 Y50 T55 L104	L49-G53 PolarHBondContact O-N 3.37Å; Y50-G53 PolarHBondContact O-N 3.44Å; G53-T55 VanDerWaalsContact C-N 3.34Å; G53-L104 WeakPolarHBondContact CA-O 3.39Å
54	Y	83	Confident	67.9	Low	11 Å²	11	72 Å²	72	4%	0.043	39%	0.385	C	S	.	.	S	Bend	trans	-80	-14.4	177.8	-63.8	-82.7	0	0	0	113.8	L49 A70 L73 L74 Q77 D103 L104	L49-Y54 HydrophobicContact CD2-CD2 4.09Å; L49-Y54 HydrophobicContact CD2-CG 3.9Å; L49-Y54 WeakPolarHBondContact O-CA 3.4Å; L49-Y54 WeakPolarHBondContact O-CB 3.08Å; L49-Y54 PolarHBondContact O-N 2.64Å; Y54-A70 WeakPolarHBondContact O-CB 3.39Å; Y54-L73 HydrophobicContact CD1-CB 3.72Å; Y54-L73 HydrophobicContact CE1-CB 4.1Å; Y54-L74 HydrophobicContact CD1-CB 4Å; Y54-L74 HydrophobicContact CD2-CD1 4.28Å; Y54-L74 HydrophobicContact CE1-CB 3.82Å; Y54-L74 HydrophobicContact CE1-CD1 4.28Å; Y54-L74 VanDerWaalsContact CE1-N 3.28Å; Y54-L74 HydrophobicContact CE2-CB 4.31Å; Y54-L74 HydrophobicContact CE2-CD1 3.54Å; Y54-L74 HydrophobicContact CG-CB 4.35Å; Y54-L74 WeakPolarHBondContact OH-CD1 3.25Å; Y54-Q77 HydrophobicContact CE1-CB 4.35Å; Y54-Q77 VanDerWaalsContact OH-CB 3.28Å; Y54-Q77 WeakPolarHBondContact OH-CB 3.46Å; Y54-Q77 WeakPolarHBondContact OH-CG 3.19Å; Y54-D103 HydrophobicContact CE1-CB 4.49Å; Y54-D103 HydrophobicContact CE2-CB 3.81Å; Y54-D103 VanDerWaalsContact CE2-OD2 3.27Å; Y54-D103 WeakPolarHBondContact CE2-OD2 3.24Å; Y54-D103 WeakPolarHBondContact OH-CB 3.45Å; Y54-D103 PolarHBondContact OH-OD2 3.01Å; Y54-L104 HydrophobicContact CD1-CD1 3.22Å; Y54-L104 HydrophobicContact CD1-CG 3.91Å; Y54-L104 HydrophobicContact CE1-CD1 3.37Å; Y54-L104 HydrophobicContact CE1-CG 3.64Å; Y54-L104 HydrophobicContact CG-CD1 4.12Å
55	T	74.6	Confident	66.7	Low	25 Å²	25	76.3 Å²	76.3	15%	0.153	40%	0.403	C	S	.	.	S	Bend	trans	-134.2	152.8	177.1	56.8	0	0	0	0	111.5	L49 Y50 G53 A70	L49-T55 HydrophobicContact CB-CG2 4.02Å; L49-T55 PolarHBondContact O-N 3.05Å; Y50-T55 VanDerWaalsContact CA-OG1 3.32Å; Y50-T55 WeakPolarHBondContact CA-OG1 3.4Å; Y50-T55 PolarHBondContact N-OG1 2.74Å; G53-T55 VanDerWaalsContact C-N 3.34Å; T55-A70 HydrophobicContact CG2-CB 3.59Å
56	R	62.3	Low	65.9	Low	194 Å²	194	81 Å²	81	73%	0.732	44%	0.435	S	S	*	.			trans	-99.3	150.9	173	-64.8	-178.6	-179.6	174.2	0.6	111.2	A58 E59	R56-A58 PolarHBondContact O-N 3.3Å; R56-E59 HydrophobicContact CB-CG 4.42Å; R56-E59 PolarHBondContact N-OE2 3.4Å; R56-E59 VanDerWaalsContact N-OE2 3.09Å; R56-E59 WeakPolarHBondContact O-CB 3.44Å; R56-E59 PolarHBondContact O-N 3.02Å
57	V	45.8	Very low	65.8	Low	94 Å²	94	80 Å²	80	57%	0.57	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-48.9	-38.6	175.2	-179.8	0	0	0	0	112.4	Y50 E59 M60	Y50-V57 HydrophobicContact CE2-CG2 3.66Å; V57-E59 PolarHBondContact O-N 3.41Å; V57-E59 VanDerWaalsContact O-N 3.13Å; V57-M60 PolarHBondContact O-N 2.81Å
58	A	42.2	Very low	66	Low	87 Å²	87	76.7 Å²	76.7	72%	0.719	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-66.2	-11.9	179.1	0	0	0	0	0	114.5	R56	R56-A58 PolarHBondContact O-N 3.3Å
59	E	48.3	Very low	66.1	Low	93 Å²	93	80.2 Å²	80.2	44%	0.435	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-97.5	-12.6	-179.2	-61.8	174	155.2	0	0	112.8	R56 V57	R56-E59 HydrophobicContact CB-CG 4.42Å; R56-E59 PolarHBondContact N-OE2 3.4Å; R56-E59 VanDerWaalsContact N-OE2 3.09Å; R56-E59 WeakPolarHBondContact O-CB 3.44Å; R56-E59 PolarHBondContact O-N 3.02Å; V57-E59 PolarHBondContact O-N 3.41Å; V57-E59 VanDerWaalsContact O-N 3.13Å
60	M	43.6	Very low	66.1	Low	81 Å²	81	80.6 Å²	80.6	40%	0.399	44%	0.444	S	S	.	.	S	Bend	trans	-89.2	-13.8	-177.8	-63.9	-141	75.2	0	0	114.6	E46 Y50 V57 G62	E46-M60 HydrophobicContact CB-CE 3.9Å; E46-M60 HydrophobicContact CG-CE 4.18Å; Y50-M60 HydrophobicContact CD2-SD 4.22Å; Y50-M60 HydrophobicContact CG-SD 4.39Å; V57-M60 PolarHBondContact O-N 2.81Å; M60-G62 PolarHBondContact O-N 3.47Å; M60-G62 VanDerWaalsContact O-N 3.13Å
61	H	42.9	Very low	66.6	Low	183 Å²	183	75.3 Å²	75.3	85%	0.847	42%	0.424	S	S	*	.	S	Bend	trans	-86.1	77.2	173.2	-79.3	-4.4	0	0	0	111.3
62	G	46.8	Very low	67.1	Low	44 Å²	44	75.1 Å²	75.1	45%	0.454	43%	0.428	S	S	.	.			trans	166.4	121.5	165	0	0	0	0	0	112.8	M60 S64	M60-G62 PolarHBondContact O-N 3.47Å; M60-G62 VanDerWaalsContact O-N 3.13Å; G62-S64 PolarHBondContact O-N 3.07Å
63	D	48.3	Very low	67.4	Low	182 Å²	182	79 Å²	79	97%	0.973	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	14.5	177.5	-81.2	-32	0	0	0	115.4
64	S	50.6	Low	68	Low	116 Å²	116	77.5 Å²	77.5	81%	0.811	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.4	6.6	-166.3	177.7	0	0	0	0	115.2	G62	G62-S64 PolarHBondContact O-N 3.07Å
65	K	60.1	Low	68.5	Low	128 Å²	128	77 Å²	77	56%	0.557	43%	0.431	S	S	*	.			trans	-94.5	135.8	177.5	-74.8	-172.7	178.3	177.5	0	112.7
66	S	71.4	Confident	69.4	Low	97 Å²	97	82.1 Å²	82.1	68%	0.678	45%	0.451	S	S	*	.			trans	-70.6	129.6	177.3	175.2	0	0	0	0	110.4	G68 P69	S66-G68 PolarHBondContact O-N 2.82Å; S66-G68 PolarHBondContact OG-N 3.49Å; S66-G68 VanDerWaalsContact OG-N 3.1Å; S66-P69 WeakPolarHBondContact O-CD 3.38Å
67	L	82.3	Confident	70.7	Confident	28 Å²	28	74.5 Å²	74.5	15%	0.147	42%	0.424	C	S	.	.	S	Bend	trans	-69.8	-10.6	170.7	-63.1	176.6	0	0	0	112.4	R42 A45 E46 L49 A70 L71	R42-L67 HydrophobicContact CG-CD1 4.42Å; A45-L67 HydrophobicContact CB-CD1 4.38Å; E46-L67 HydrophobicContact CG-CD1 4.25Å; E46-L67 HydrophobicContact CG-CD2 3.97Å; L49-L67 HydrophobicContact CD1-CB 4.44Å; L49-L67 HydrophobicContact CD1-CD2 4.11Å; L67-A70 PolarHBondContact O-N 2.84Å; L67-A70 VanDerWaalsContact O-N 3.12Å; L67-L71 HydrophobicContact CB-CD1 3.76Å; L67-L71 HydrophobicContact CB-CG 4.09Å; L67-L71 WeakPolarHBondContact O-CG 3.33Å; L67-L71 PolarHBondContact O-N 3.41Å
68	G	85.1	Confident	72.9	Confident	11 Å²	11	70.1 Å²	70.1	11%	0.113	40%	0.397	C	S	.	.	H	α-helix	trans	-52.8	-48	-170.3	0	0	0	0	0	115.4	S66 A70 L71 L72 G84	S66-G68 PolarHBondContact O-N 2.82Å; S66-G68 PolarHBondContact OG-N 3.49Å; S66-G68 VanDerWaalsContact OG-N 3.1Å; G68-A70 PolarHBondContact O-N 3.24Å; G68-L71 PolarHBondContact O-N 2.98Å; G68-L72 WeakPolarHBondContact O-CG 3.37Å; G68-L72 PolarHBondContact O-N 2.93Å; G68-G84 VanDerWaalsContact CA-O 3.28Å; G68-G84 WeakPolarHBondContact CA-O 3.13Å
69	P	87.3	Confident	75.4	Confident	86 Å²	86	69.3 Å²	69.3	56%	0.558	39%	0.386	S	S	*	.	H	α-helix	trans	-60.6	-40.9	177.9	-25.2	35.6	0	0	0	113.7	S66 L72 L73	S66-P69 WeakPolarHBondContact O-CD 3.38Å; P69-L72 PolarHBondContact O-N 3.17Å; P69-L73 WeakPolarHBondContact O-CG 3.44Å; P69-L73 PolarHBondContact O-N 3.46Å
70	A	87.6	Confident	77.5	Confident	8 Å²	8	66.7 Å²	66.7	7%	0.066	38%	0.375	C	S	.	.	H	α-helix	trans	-70.4	-40.4	178.2	0	0	0	0	0	111.3	L49 Y54 T55 L67 G68 L72 L73 L74	L49-A70 HydrophobicContact CD1-CB 3.99Å; L49-A70 HydrophobicContact CD2-CB 4.12Å; Y54-A70 WeakPolarHBondContact O-CB 3.39Å; T55-A70 HydrophobicContact CG2-CB 3.59Å; L67-A70 PolarHBondContact O-N 2.84Å; L67-A70 VanDerWaalsContact O-N 3.12Å; G68-A70 PolarHBondContact O-N 3.24Å; A70-L72 VanDerWaalsContact C-N 3.34Å; A70-L72 PolarHBondContact O-N 3.41Å; A70-L73 PolarHBondContact O-N 3.28Å; A70-L74 PolarHBondContact O-N 2.73Å
71	L	91.1	Very high	79.9	Confident	4 Å²	4	67 Å²	67	2%	0.021	38%	0.383	C	S	.	.	H	α-helix	trans	-62.9	-38.4	174.3	-70.3	170.9	0	0	0	112.1	L49 L67 G68 L73 L74 Q75 L86 T90 M94	L49-L71 HydrophobicContact CD1-CD2 4.05Å; L49-L71 HydrophobicContact CD1-CG 4.24Å; L49-L71 HydrophobicContact CD2-CD2 4.41Å; L67-L71 HydrophobicContact CB-CD1 3.76Å; L67-L71 HydrophobicContact CB-CG 4.09Å; L67-L71 WeakPolarHBondContact O-CG 3.33Å; L67-L71 PolarHBondContact O-N 3.41Å; G68-L71 PolarHBondContact O-N 2.98Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 2.82Å; L71-L74 HydrophobicContact CD2-CD2 4.46Å; L71-L74 PolarHBondContact O-N 2.9Å; L71-Q75 VanDerWaalsContact O-CB 3.27Å; L71-Q75 WeakPolarHBondContact O-CB 3.22Å; L71-Q75 WeakPolarHBondContact O-CG 3.38Å; L71-Q75 PolarHBondContact O-N 3Å; L71-Q75 PolarHBondContact O-OE1 2.99Å; L71-L86 HydrophobicContact CD1-CB 4.46Å; L71-L86 HydrophobicContact CD2-CD1 4.34Å; L71-T90 HydrophobicContact CD2-CG2 4.06Å; L71-M94 HydrophobicContact CD2-CE 3.81Å
72	L	91.6	Very high	82.4	Confident	70 Å²	70	64.1 Å²	64.1	37%	0.366	37%	0.37	S	S	.	.	H	α-helix	trans	-62.5	-40.7	175	-75.8	169.8	0	0	0	112	G68 P69 A70 K76 Q82	G68-L72 WeakPolarHBondContact O-CG 3.37Å; G68-L72 PolarHBondContact O-N 2.93Å; P69-L72 PolarHBondContact O-N 3.17Å; A70-L72 VanDerWaalsContact C-N 3.34Å; A70-L72 PolarHBondContact O-N 3.41Å; L72-K76 VanDerWaalsContact O-CB 3.23Å; L72-K76 WeakPolarHBondContact O-CB 3.28Å; L72-K76 PolarHBondContact O-N 2.9Å; L72-Q82 HydrophobicContact CD2-CB 3.86Å
73	L	90.3	Very high	84.7	Confident	85 Å²	85	65.2 Å²	65.2	45%	0.445	37%	0.368	S	S	.	.	H	α-helix	trans	-65.4	-45.4	176	-71.2	174.5	0	0	0	111.4	Y54 P69 A70 L71 K76 Q77 L104	Y54-L73 HydrophobicContact CD1-CB 3.72Å; Y54-L73 HydrophobicContact CE1-CB 4.1Å; P69-L73 WeakPolarHBondContact O-CG 3.44Å; P69-L73 PolarHBondContact O-N 3.46Å; A70-L73 PolarHBondContact O-N 3.28Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 2.82Å; L73-K76 PolarHBondContact O-N 3.16Å; L73-Q77 WeakPolarHBondContact O-CB 3.41Å; L73-Q77 PolarHBondContact O-N 3.21Å; L73-L104 HydrophobicContact CB-CD1 3.94Å; L73-L104 HydrophobicContact CD1-CD1 3.99Å; L73-L104 HydrophobicContact CG-CD1 4.43Å
74	L	92.1	Very high	86.6	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-60	-51.1	175.5	174	69.3	0	0	0	111.7	Y48 L49 Y54 A70 L71 K76 Q77 L78 T90 M94	Y48-L74 HydrophobicContact CD1-CD1 4.49Å; Y48-L74 HydrophobicContact CD1-CD2 4.42Å; Y48-L74 HydrophobicContact CE1-CD1 3.79Å; Y48-L74 HydrophobicContact CE1-CD2 4.31Å; L49-L74 HydrophobicContact CD2-CB 4.04Å; L49-L74 HydrophobicContact CD2-CD2 3.91Å; Y54-L74 HydrophobicContact CD1-CB 4Å; Y54-L74 HydrophobicContact CD2-CD1 4.28Å; Y54-L74 HydrophobicContact CE1-CB 3.82Å; Y54-L74 HydrophobicContact CE1-CD1 4.28Å; Y54-L74 VanDerWaalsContact CE1-N 3.28Å; Y54-L74 HydrophobicContact CE2-CB 4.31Å; Y54-L74 HydrophobicContact CE2-CD1 3.54Å; Y54-L74 HydrophobicContact CG-CB 4.35Å; Y54-L74 WeakPolarHBondContact OH-CD1 3.25Å; A70-L74 PolarHBondContact O-N 2.73Å; L71-L74 HydrophobicContact CD2-CD2 4.46Å; L71-L74 PolarHBondContact O-N 2.9Å; L74-K76 PolarHBondContact O-N 2.77Å; L74-Q77 PolarHBondContact O-N 3.3Å; L74-Q77 VanDerWaalsContact O-N 3.12Å; L74-L78 HydrophobicContact CD1-CD1 3.55Å; L74-L78 HydrophobicContact CD1-CG 3.89Å; L74-L78 HydrophobicContact CG-CD1 4.07Å; L74-L78 HydrophobicContact CG-CG 4.48Å; L74-L78 WeakPolarHBondContact O-CB 3.45Å; L74-L78 WeakPolarHBondContact O-CG 3.36Å; L74-L78 PolarHBondContact O-N 3.42Å; L74-T90 HydrophobicContact CD2-CG2 4.16Å; L74-M94 HydrophobicContact CD2-CE 3.29Å; L74-M94 HydrophobicContact CD2-CG 4.37Å
75	Q	94.5	Very high	88.5	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.5	-38.1	179.7	-73.1	165.7	-14.8	0	0	110.9	L71 S79 L80 P81 Q82 T83 E85 T90	L71-Q75 VanDerWaalsContact O-CB 3.27Å; L71-Q75 WeakPolarHBondContact O-CB 3.22Å; L71-Q75 WeakPolarHBondContact O-CG 3.38Å; L71-Q75 PolarHBondContact O-N 3Å; L71-Q75 PolarHBondContact O-OE1 2.99Å; Q75-S79 PolarHBondContact O-N 2.78Å; Q75-L80 HydrophobicContact CB-CB 4.07Å; Q75-L80 HydrophobicContact CG-CB 4.23Å; Q75-L80 HydrophobicContact CG-CD1 4.49Å; Q75-L80 PolarHBondContact O-N 2.62Å; Q75-P81 PolarHBondContact OE1-O 2.71Å; Q75-Q82 HydrophobicContact CB-CG 4.28Å; Q75-T83 PolarHBondContact NE2-OG1 2.82Å; Q75-E85 PolarHBondContact NE2-O 3.07Å; Q75-T90 PolarHBondContact NE2-OG1 3.01Å
76	K	92.2	Very high	89.9	Confident	132 Å²	132	54.7 Å²	54.7	57%	0.574	31%	0.308	S	S	*	.	H	α-helix	trans	-64.7	-46.4	173.4	-176.7	-177.5	175.9	-172.4	0	112.1	L72 L73 L74 L78 S79 Q82	L72-K76 VanDerWaalsContact O-CB 3.23Å; L72-K76 WeakPolarHBondContact O-CB 3.28Å; L72-K76 PolarHBondContact O-N 2.9Å; L73-K76 PolarHBondContact O-N 3.16Å; L74-K76 PolarHBondContact O-N 2.77Å; K76-L78 VanDerWaalsContact C-N 3.34Å; K76-S79 PolarHBondContact O-N 3.49Å; K76-Q82 HydrophobicContact CB-CG 4.24Å
77	Q	90.8	Very high	90.9	Very high	34 Å²	34	52 Å²	52	16%	0.159	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-42.7	179.9	-178.5	66.6	8.5	0	0	111.7	Y54 L73 L74 S79 D103 S413	Y54-Q77 HydrophobicContact CE1-CB 4.35Å; Y54-Q77 VanDerWaalsContact OH-CB 3.28Å; Y54-Q77 WeakPolarHBondContact OH-CB 3.46Å; Y54-Q77 WeakPolarHBondContact OH-CG 3.19Å; L73-Q77 WeakPolarHBondContact O-CB 3.41Å; L73-Q77 PolarHBondContact O-N 3.21Å; L74-Q77 PolarHBondContact O-N 3.3Å; L74-Q77 VanDerWaalsContact O-N 3.12Å; Q77-S79 PolarHBondContact O-N 3.28Å; Q77-D103 HydrophobicContact CG-CB 4.09Å; Q77-S413 WeakPolarHBondContact O-CA 3.34Å; Q77-S413 VanDerWaalsContact O-CB 3.29Å; Q77-S413 WeakPolarHBondContact O-CB 3.23Å
78	L	92.7	Very high	91.3	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	11.3	-179.7	-59.4	-173.2	0	0	0	113.5	L74 K76 L80 A93 Y420 P421 M422	L74-L78 HydrophobicContact CD1-CD1 3.55Å; L74-L78 HydrophobicContact CD1-CG 3.89Å; L74-L78 HydrophobicContact CG-CD1 4.07Å; L74-L78 HydrophobicContact CG-CG 4.48Å; L74-L78 WeakPolarHBondContact O-CB 3.45Å; L74-L78 WeakPolarHBondContact O-CG 3.36Å; L74-L78 PolarHBondContact O-N 3.42Å; K76-L78 VanDerWaalsContact C-N 3.34Å; L78-L80 HydrophobicContact CB-CD1 4.07Å; L78-L80 HydrophobicContact CB-CG 3.93Å; L78-L80 HydrophobicContact CD1-CD1 4.38Å; L78-L80 PolarHBondContact O-N 3.33Å; L78-L80 VanDerWaalsContact O-N 3.1Å; L78-A93 HydrophobicContact CD1-CB 4Å; L78-Y420 WeakPolarHBondContact CA-OH 3.07Å; L78-Y420 HydrophobicContact CD2-CE2 4.42Å; L78-Y420 PolarHBondContact O-OH 3.36Å; L78-P421 HydrophobicContact CD2-CG 3.7Å; L78-M422 HydrophobicContact CD2-CG 4.25Å; L78-M422 HydrophobicContact CD2-SD 4.22Å
79	S	93	Very high	91.7	Very high	70 Å²	70	57.1 Å²	57.1	49%	0.49	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	34.3	-178.3	-69.6	0	0	0	0	114.2	Q75 K76 Q77 S413	Q75-S79 PolarHBondContact O-N 2.78Å; K76-S79 PolarHBondContact O-N 3.49Å; Q77-S79 PolarHBondContact O-N 3.28Å; S79-S413 PolarHBondContact OG-O 3.13Å
80	L	93.4	Very high	91.9	Very high	38 Å²	38	53 Å²	53	20%	0.199	30%	0.298	C	S	.	.			trans	-90.4	161.8	175.2	-59.6	177.4	0	0	0	111.5	Q75 L78 Q82 A93	Q75-L80 HydrophobicContact CB-CB 4.07Å; Q75-L80 HydrophobicContact CG-CB 4.23Å; Q75-L80 HydrophobicContact CG-CD1 4.49Å; Q75-L80 PolarHBondContact O-N 2.62Å; L78-L80 HydrophobicContact CB-CD1 4.07Å; L78-L80 HydrophobicContact CB-CG 3.93Å; L78-L80 HydrophobicContact CD1-CD1 4.38Å; L78-L80 PolarHBondContact O-N 3.33Å; L78-L80 VanDerWaalsContact O-N 3.1Å; L80-Q82 PolarHBondContact O-N 3.26Å; L80-A93 HydrophobicContact CD1-CB 3.93Å
81	P	93.8	Very high	92	Very high	88 Å²	88	53.8 Å²	53.8	57%	0.571	30%	0.301	S	S	*	.			trans	-55.5	123	167.7	-24.2	35.1	0	0	0	111.1	Q75 T83	Q75-P81 PolarHBondContact OE1-O 2.71Å; P81-T83 VanDerWaalsContact C-N 3.29Å; P81-T83 HydrophobicContact CB-CG2 4.31Å; P81-T83 PolarHBondContact O-N 2.75Å
82	Q	95.4	Very high	91.9	Very high	122 Å²	122	61 Å²	61	57%	0.57	33%	0.332	S	S	*	.			trans	-79.3	74	-177	-68.9	170.4	50.1	0	0	110.9	L72 Q75 K76 L80	L72-Q82 HydrophobicContact CD2-CB 3.86Å; Q75-Q82 HydrophobicContact CB-CG 4.28Å; K76-Q82 HydrophobicContact CB-CG 4.24Å; L80-Q82 PolarHBondContact O-N 3.26Å
83	T	94.1	Very high	91.9	Very high	67 Å²	67	58.3 Å²	58.3	41%	0.411	32%	0.32	S	S	.	.			trans	-82.9	-27.4	179.3	60.9	0	0	0	0	112.6	Q75 P81 E85 D87	Q75-T83 PolarHBondContact NE2-OG1 2.82Å; P81-T83 VanDerWaalsContact C-N 3.29Å; P81-T83 HydrophobicContact CB-CG2 4.31Å; P81-T83 PolarHBondContact O-N 2.75Å; T83-E85 PolarHBondContact O-N 3.48Å; T83-E85 PolarHBondContact OG1-N 2.86Å; T83-E85 PolarHBondContact OG1-O 2.77Å; T83-D87 WeakPolarHBondContact CG2-OD2 3.35Å; T83-D87 PolarHBondContact OG1-OD2 3.35Å
84	G	89.5	Confident	91.8	Very high	15 Å²	15	54.7 Å²	54.7	16%	0.155	30%	0.301	C	S	.	.	S	Bend	trans	68.7	11.2	-169.3	0	0	0	0	0	113.4	G68	G68-G84 VanDerWaalsContact CA-O 3.28Å; G68-G84 WeakPolarHBondContact CA-O 3.13Å
85	E	91.1	Very high	91.5	Very high	139 Å²	139	61.7 Å²	61.7	65%	0.65	33%	0.327	S	S	*	.	S	Bend	trans	-116.1	154.1	-178.8	-63.4	-170.9	168.9	0	0	111.1	Q75 T83 D87	Q75-E85 PolarHBondContact NE2-O 3.07Å; T83-E85 PolarHBondContact O-N 3.48Å; T83-E85 PolarHBondContact OG1-N 2.86Å; T83-E85 PolarHBondContact OG1-O 2.77Å; E85-D87 PolarHBondContact O-N 3.23Å
86	L	89.6	Confident	91.3	Very high	52 Å²	52	63.9 Å²	63.9	27%	0.272	34%	0.34	S	S	.	.			trans	-79.6	64.3	175.4	-169.1	62	0	0	0	110.1	D41 A45 L71 T90 L91 M94	D41-L86 HydrophobicContact CB-CD2 4.14Å; D41-L86 WeakPolarHBondContact O-CD2 3.49Å; A45-L86 HydrophobicContact CB-CD1 3.73Å; A45-L86 HydrophobicContact CB-CD2 3.88Å; A45-L86 HydrophobicContact CB-CG 4.46Å; L71-L86 HydrophobicContact CD1-CB 4.46Å; L71-L86 HydrophobicContact CD2-CD1 4.34Å; L86-T90 HydrophobicContact CD1-CG2 4.24Å; L86-L91 HydrophobicContact CD1-CD2 3.65Å; L86-L91 HydrophobicContact CD1-CG 3.82Å; L86-L91 HydrophobicContact CD2-CD2 3.99Å; L86-L91 HydrophobicContact CD2-CG 4.47Å; L86-L91 HydrophobicContact CG-CD1 4.15Å; L86-L91 HydrophobicContact CG-CD2 3.75Å; L86-L91 HydrophobicContact CG-CG 3.77Å; L86-M94 HydrophobicContact CD1-CE 4.2Å; L86-M94 HydrophobicContact CD1-SD 3.89Å
87	D	91.9	Very high	91.3	Very high	40 Å²	40	58.6 Å²	58.6	21%	0.214	32%	0.32	C	S	.	.			trans	-77.3	169.7	-179	62.4	37.6	0	0	0	112.7	T83 E85 A89 T90 L91	T83-D87 WeakPolarHBondContact CG2-OD2 3.35Å; T83-D87 PolarHBondContact OG1-OD2 3.35Å; E85-D87 PolarHBondContact O-N 3.23Å; D87-A89 PolarHBondContact O-N 2.74Å; D87-A89 PolarHBondContact OD1-N 2.85Å; D87-T90 PolarHBondContact O-N 2.86Å; D87-T90 VanDerWaalsContact OD1-CB 3.3Å; D87-T90 WeakPolarHBondContact OD1-CB 3.38Å; D87-T90 PolarHBondContact OD1-N 3.2Å; D87-T90 PolarHBondContact OD1-OG1 2.87Å; D87-L91 PolarHBondContact O-N 2.79Å
88	S	90.5	Very high	91.5	Very high	105 Å²	105	57.1 Å²	57.1	73%	0.734	31%	0.313	S	S	*	.	H	α-helix	trans	-60.2	-30	-177.3	64.4	0	0	0	0	114	K92	S88-K92 VanDerWaalsContact O-CB 3.22Å; S88-K92 WeakPolarHBondContact O-CB 3.33Å; S88-K92 PolarHBondContact O-N 2.81Å
89	A	92.2	Very high	91.6	Very high	41 Å²	41	57.3 Å²	57.3	34%	0.339	31%	0.314	S	S	.	.	H	α-helix	trans	-72.9	-43.3	177.9	0	0	0	0	0	110.6	D87 K92 A93	D87-A89 PolarHBondContact O-N 2.74Å; D87-A89 PolarHBondContact OD1-N 2.85Å; A89-K92 PolarHBondContact O-N 2.8Å; A89-A93 PolarHBondContact O-N 3.39Å
90	T	92.7	Very high	91.5	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-63.8	-45.8	176.3	-53.5	0	0	0	0	111.2	L71 L74 Q75 L86 D87 K92 A93 M94	L71-T90 HydrophobicContact CD2-CG2 4.06Å; L74-T90 HydrophobicContact CD2-CG2 4.16Å; Q75-T90 PolarHBondContact NE2-OG1 3.01Å; L86-T90 HydrophobicContact CD1-CG2 4.24Å; D87-T90 PolarHBondContact O-N 2.86Å; D87-T90 VanDerWaalsContact OD1-CB 3.3Å; D87-T90 WeakPolarHBondContact OD1-CB 3.38Å; D87-T90 PolarHBondContact OD1-N 3.2Å; D87-T90 PolarHBondContact OD1-OG1 2.87Å; T90-K92 VanDerWaalsContact C-N 3.34Å; T90-K92 PolarHBondContact O-N 2.9Å; T90-A93 WeakPolarHBondContact O-CB 3.33Å; T90-A93 PolarHBondContact O-N 2.77Å; T90-M94 HydrophobicContact CG2-CE 4.07Å; T90-M94 WeakPolarHBondContact O-CG 3.41Å; T90-M94 PolarHBondContact O-N 2.84Å
91	L	90.3	Very high	91.2	Very high	24 Å²	24	53.2 Å²	53.2	13%	0.126	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-39.8	175.6	-79.1	170	0	0	0	112.6	D41 L86 D87 A93 M94 R95	D41-L91 HydrophobicContact CB-CD1 4.24Å; D41-L91 HydrophobicContact CB-CD2 3.85Å; L86-L91 HydrophobicContact CD1-CD2 3.65Å; L86-L91 HydrophobicContact CD1-CG 3.82Å; L86-L91 HydrophobicContact CD2-CD2 3.99Å; L86-L91 HydrophobicContact CD2-CG 4.47Å; L86-L91 HydrophobicContact CG-CD1 4.15Å; L86-L91 HydrophobicContact CG-CD2 3.75Å; L86-L91 HydrophobicContact CG-CG 3.77Å; D87-L91 PolarHBondContact O-N 2.79Å; L91-A93 VanDerWaalsContact C-N 3.32Å; L91-M94 PolarHBondContact O-N 2.83Å; L91-R95 WeakPolarHBondContact O-CB 3.47Å; L91-R95 VanDerWaalsContact O-CG 3.27Å; L91-R95 WeakPolarHBondContact O-CG 3.45Å; L91-R95 PolarHBondContact O-N 3.4Å; L91-R95 VanDerWaalsContact O-N 3.09Å
92	K	88.9	Confident	90.7	Very high	155 Å²	155	50.7 Å²	50.7	67%	0.674	27%	0.273	S	S	*	.	H	α-helix	trans	-62.5	-42.4	175	-175.4	-179.2	178.3	-173.6	0	110.9	S88 A89 T90 R95 T96	S88-K92 VanDerWaalsContact O-CB 3.22Å; S88-K92 WeakPolarHBondContact O-CB 3.33Å; S88-K92 PolarHBondContact O-N 2.81Å; A89-K92 PolarHBondContact O-N 2.8Å; T90-K92 VanDerWaalsContact C-N 3.34Å; T90-K92 PolarHBondContact O-N 2.9Å; K92-R95 PolarHBondContact O-N 3.4Å; K92-T96 PolarHBondContact O-N 2.86Å; K92-T96 PolarHBondContact O-OG1 3.13Å
93	A	90.3	Very high	90.1	Very high	14 Å²	14	45.5 Å²	45.5	12%	0.116	25%	0.25	C	C	.	.	H	α-helix	trans	-62.7	-47	175.7	0	0	0	0	0	111.5	L78 L80 A89 T90 L91 R95 T96 M422	L78-A93 HydrophobicContact CD1-CB 4Å; L80-A93 HydrophobicContact CD1-CB 3.93Å; A89-A93 PolarHBondContact O-N 3.39Å; T90-A93 WeakPolarHBondContact O-CB 3.33Å; T90-A93 PolarHBondContact O-N 2.77Å; L91-A93 VanDerWaalsContact C-N 3.32Å; A93-R95 PolarHBondContact O-N 3.02Å; A93-T96 WeakPolarHBondContact O-CB 3.19Å; A93-T96 PolarHBondContact O-N 3.47Å; A93-M422 WeakPolarHBondContact O-CE 3.26Å
94	M	88.8	Confident	89	Confident	9 Å²	9	44.9 Å²	44.9	4%	0.044	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-28.1	178.4	-71.6	177.8	170.9	0	0	114	A45 Y48 L49 L71 L74 L86 T90 L91	A45-M94 HydrophobicContact CB-CE 3.9Å; A45-M94 HydrophobicContact CB-SD 3.84Å; Y48-M94 HydrophobicContact CD1-CE 4.23Å; Y48-M94 HydrophobicContact CD1-CG 3.99Å; Y48-M94 HydrophobicContact CD2-CB 3.86Å; Y48-M94 HydrophobicContact CD2-CG 3.93Å; Y48-M94 HydrophobicContact CE1-CG 4.18Å; Y48-M94 HydrophobicContact CE2-CB 3.97Å; Y48-M94 HydrophobicContact CE2-CG 4.11Å; Y48-M94 WeakPolarHBondContact CE2-O 3.28Å; Y48-M94 HydrophobicContact CG-CB 4.29Å; Y48-M94 HydrophobicContact CG-CE 4.49Å; Y48-M94 HydrophobicContact CG-CG 3.87Å; Y48-M94 HydrophobicContact CG-SD 4.41Å; L49-M94 HydrophobicContact CD2-CE 4.36Å; L49-M94 HydrophobicContact CG-CE 4.25Å; L71-M94 HydrophobicContact CD2-CE 3.81Å; L74-M94 HydrophobicContact CD2-CE 3.29Å; L74-M94 HydrophobicContact CD2-CG 4.37Å; L86-M94 HydrophobicContact CD1-CE 4.2Å; L86-M94 HydrophobicContact CD1-SD 3.89Å; T90-M94 HydrophobicContact CG2-CE 4.07Å; T90-M94 WeakPolarHBondContact O-CG 3.41Å; T90-M94 PolarHBondContact O-N 2.84Å; L91-M94 PolarHBondContact O-N 2.83Å
95	R	87	Confident	87.3	Confident	148 Å²	148	46.3 Å²	46.3	56%	0.558	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-6.1	177.6	-67.3	171.8	-179.9	-86.8	1	113.4	D41 L44 L91 K92 A93	D41-R95 IonicContact OD1-CZ 3.17Å; D41-R95 IonicContact OD1-NH2 3.67Å; D41-R95 PolarHBondContact OD1-NH2 3.24Å; L44-R95 HydrophobicContact CD2-CG 3.85Å; L91-R95 WeakPolarHBondContact O-CB 3.47Å; L91-R95 VanDerWaalsContact O-CG 3.27Å; L91-R95 WeakPolarHBondContact O-CG 3.45Å; L91-R95 PolarHBondContact O-N 3.4Å; L91-R95 VanDerWaalsContact O-N 3.09Å; K92-R95 PolarHBondContact O-N 3.4Å; A93-R95 PolarHBondContact O-N 3.02Å
96	T	89.4	Confident	84.9	Confident	45 Å²	45	49.1 Å²	49.1	28%	0.276	26%	0.263	S	S	.	.	S	Bend	trans	-83.2	136.1	179.3	-60.7	0	0	0	0	108.9	K92 A93 M422	K92-T96 PolarHBondContact O-N 2.86Å; K92-T96 PolarHBondContact O-OG1 3.13Å; A93-T96 WeakPolarHBondContact O-CB 3.19Å; A93-T96 PolarHBondContact O-N 3.47Å; T96-M422 VanDerWaalsContact CB-CE 3.43Å; T96-M422 HydrophobicContact CG2-CE 3.78Å; T96-M422 WeakPolarHBondContact O-CE 3.38Å
97	P	92.8	Very high	82.5	Confident	22 Å²	22	47.8 Å²	47.8	14%	0.143	26%	0.255	C	S	.	.			trans	-57.3	143.9	177.6	-23.1	32.3	0	0	0	112.6	D185 G186 L188 Y393 Y423	P97-D185 HydrophobicContact CG-CB 4.44Å; P97-G186 CarbonylContact C-O 3.44Å; P97-G186 WeakPolarHBondContact CA-O 3.02Å; P97-L188 HydrophobicContact CB-CD1 4.13Å; P97-L188 HydrophobicContact CB-CD2 3.93Å; P97-L188 HydrophobicContact CB-CG 4.1Å; P97-Y393 HydrophobicContact CB-CE1 3.67Å; P97-Y393 HydrophobicContact CG-CE1 3.77Å; P97-Y393 WeakPolarHBondContact CG-OH 2.95Å; P97-Y423 PolarHBondContact O-N 2.93Å
98	R	94.4	Very high	79.9	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.008	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-154.3	170.6	-172.4	64.5	166.3	-73.7	162.2	4.9	113.5	Y48 Y52 V101 D103 G186 L188 H411 P421 M422	Y48-R98 WeakPolarHBondContact OH-CD 3.23Å; Y48-R98 PolarHBondContact OH-NH1 3.31Å; Y52-R98 VanDerWaalsContact CD1-CZ 3.42Å; Y52-R98 VanDerWaalsContact CE1-CZ 3.46Å; Y52-R98 VanDerWaalsContact CZ-CD 3.42Å; Y52-R98 VanDerWaalsContact CZ-NE 3.33Å; Y52-R98 WeakPolarHBondContact OH-CD 3.46Å; R98-V101 PolarHBondContact NH2-O 2.83Å; R98-D103 IonicContact CZ-OD1 2.67Å; R98-D103 IonicContact CZ-OD2 3.94Å; R98-D103 IonicContact NH1-OD1 3.78Å; R98-D103 IonicContact NH1-OD2 4Å; R98-D103 PolarHBondContact NH1-OD2 3.42Å; R98-D103 VanDerWaalsContact NH2-CG 3.33Å; R98-D103 IonicContact NH2-OD1 2.84Å; R98-D103 PolarHBondContact NH2-OD1 3.42Å; R98-D103 IonicContact NH2-OD2 2.95Å; R98-D103 PolarHBondContact NH2-OD2 3.29Å; R98-G186 PolarHBondContact N-O 2.9Å; R98-L188 PolarHBondContact O-N 3.48Å; R98-H411 PolarHBondContact NH2-CE1 2.79Å; R98-P421 CarbonylContact C-O 3.58Å; R98-P421 WeakPolarHBondContact CA-O 2.86Å; R98-P421 WeakPolarHBondContact CB-O 3.37Å; R98-P421 VanDerWaalsContact NH2-CB 3.34Å; R98-M422 HydrophobicContact CB-CE 3.98Å; R98-M422 HydrophobicContact CB-SD 3.78Å; R98-M422 HydrophobicContact CG-SD 4.48Å
99	C	95	Very high	77.4	Confident	6 Å²	6	53.3 Å²	53.3	4%	0.041	28%	0.275	C	S	.	.			trans	-66	144	166.5	179.8	0	0	0	0	111.3	Y52 V101 H401 E402 H411 P421	Y52-C99 WeakPolarHBondContact CE1-O 3.38Å; C99-V101 PolarHBondContact SG-N 3.01Å; C99-H401 WeakPolarHBondContact CB-NE2 3.12Å; C99-E402 PolarHBondContact SG-OE1 2.9Å; C99-H411 WeakPolarHBondContact CB-NE2 3.37Å; C99-P421 PolarHBondContact N-O 3.16Å
100	G	90.2	Very high	75.1	Confident	11 Å²	11	53.3 Å²	53.3	11%	0.113	27%	0.268	C	S	.	.	S	Bend	trans	-79.7	-11.1	178.4	0	0	0	0	0	114.9	A189	G100-A189 PolarHBondContact N-O 2.82Å
101	V	88.2	Confident	72.9	Confident	12 Å²	12	61.3 Å²	61.3	7%	0.073	31%	0.305	C	S	.	.	S	Bend	trans	-66.3	137.5	177.4	177.7	0	0	0	0	110.3	R98 C99 H190 H411	R98-V101 PolarHBondContact NH2-O 2.83Å; C99-V101 PolarHBondContact SG-N 3.01Å; V101-H190 HydrophobicContact CG2-CB 4.07Å; V101-H411 PolarHBondContact O-CE1 3.31Å
102	P	82.9	Confident	71	Confident	34 Å²	34	61.9 Å²	61.9	22%	0.221	32%	0.316	C	S	.	.			trans	-61.8	147.3	176.7	-25.4	35.2	0	0	0	113.5
103	D	83.3	Confident	69.7	Low	14 Å²	14	58 Å²	58	8%	0.075	30%	0.303	C	S	.	.	S	Bend	trans	-84.1	-36.7	177.3	-67.5	-29.7	0	0	0	112.5	Y52 Y54 Q77 R98 H411	Y52-D103 PolarHBondContact O-N 3.08Å; Y52-D103 VanDerWaalsContact O-N 3.08Å; Y54-D103 HydrophobicContact CE1-CB 4.49Å; Y54-D103 HydrophobicContact CE2-CB 3.81Å; Y54-D103 VanDerWaalsContact CE2-OD2 3.27Å; Y54-D103 WeakPolarHBondContact CE2-OD2 3.24Å; Y54-D103 WeakPolarHBondContact OH-CB 3.45Å; Y54-D103 PolarHBondContact OH-OD2 3.01Å; Q77-D103 HydrophobicContact CG-CB 4.09Å; R98-D103 IonicContact CZ-OD1 2.67Å; R98-D103 IonicContact CZ-OD2 3.94Å; R98-D103 IonicContact NH1-OD1 3.78Å; R98-D103 IonicContact NH1-OD2 4Å; R98-D103 PolarHBondContact NH1-OD2 3.42Å; R98-D103 VanDerWaalsContact NH2-CG 3.33Å; R98-D103 IonicContact NH2-OD1 2.84Å; R98-D103 PolarHBondContact NH2-OD1 3.42Å; R98-D103 IonicContact NH2-OD2 2.95Å; R98-D103 PolarHBondContact NH2-OD2 3.29Å; D103-H411 IonicContact OD1-CE1 3.42Å; D103-H411 IonicContact OD1-CG 3.29Å; D103-H411 IonicContact OD1-ND1 3.01Å; D103-H411 PolarHBondContact OD1-ND1 2.99Å
104	L	70.1	Confident	68.8	Low	54 Å²	54	63.3 Å²	63.3	28%	0.283	33%	0.329	S	S	.	.	S	Bend	trans	-122.8	136.8	-176.8	-63.2	-174.6	0	0	0	110.9	Y52 G53 Y54 L73	Y52-L104 PolarHBondContact O-N 2.72Å; G53-L104 WeakPolarHBondContact CA-O 3.39Å; Y54-L104 HydrophobicContact CD1-CD1 3.22Å; Y54-L104 HydrophobicContact CD1-CG 3.91Å; Y54-L104 HydrophobicContact CE1-CD1 3.37Å; Y54-L104 HydrophobicContact CE1-CG 3.64Å; Y54-L104 HydrophobicContact CG-CD1 4.12Å; L73-L104 HydrophobicContact CB-CD1 3.94Å; L73-L104 HydrophobicContact CD1-CD1 3.99Å; L73-L104 HydrophobicContact CG-CD1 4.43Å
105	G	53.2	Low	68.6	Low	45 Å²	45	67 Å²	67	46%	0.464	35%	0.345	S	S	.	.	S	Bend	trans	121.7	115.2	-164.6	0	0	0	0	0	105.6
106	R	42.4	Very low	68.9	Low	198 Å²	198	61 Å²	61	75%	0.747	32%	0.322	S	S	*	.			trans	-54.4	151.2	173.6	-66.3	178.3	-178.6	-173	-1.6	107.5	Q108 T109	R106-Q108 HydrophobicContact CB-CB 4.26Å; R106-Q108 PolarHBondContact O-N 3.31Å; R106-T109 PolarHBondContact O-N 2.92Å; R106-T109 PolarHBondContact O-OG1 2.87Å
107	F	38.6	Very low	69	Low	24 Å²	24	65.6 Å²	65.6	11%	0.105	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	31.3	161.5	-108.2	-122.5	0	0	0	114.6	P193 L409 D410	F107-P193 HydrophobicContact CD1-CB 3.5Å; F107-P193 VanDerWaalsContact CD1-CB 3.5Å; F107-P193 HydrophobicContact CD1-CG 3.77Å; F107-P193 HydrophobicContact CE1-CB 3.41Å; F107-P193 VanDerWaalsContact CE1-CB 3.41Å; F107-P193 HydrophobicContact CE1-CG 3.81Å; F107-L409 WeakPolarHBondContact CZ-O 3.41Å; F107-D410 VanDerWaalsContact CD2-CG 3.47Å; F107-D410 WeakPolarHBondContact CD2-OD1 3.15Å; F107-D410 WeakPolarHBondContact CE2-OD1 3.41Å
108	Q	36.1	Very low	69	Low	156 Å²	156	67.8 Å²	67.8	73%	0.729	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	3.4	176.4	-73.5	-179.9	-26.5	0	0	111.8	R106 F110	R106-Q108 HydrophobicContact CB-CB 4.26Å; R106-Q108 PolarHBondContact O-N 3.31Å; Q108-F110 VanDerWaalsContact C-N 3.3Å
109	T	39.3	Very low	68.9	Low	105 Å²	105	72.4 Å²	72.4	64%	0.644	37%	0.37	S	S	*	.	S	Bend	trans	-81.4	-12.2	162.9	40.5	0	0	0	0	112.8	R106	R106-T109 PolarHBondContact O-N 2.92Å; R106-T109 PolarHBondContact O-OG1 2.87Å
110	F	44.1	Very low	69	Low	40 Å²	40	75.7 Å²	75.7	18%	0.175	39%	0.387	C	S	.	.	S	Bend	trans	-113.9	139.6	169.8	-58.9	-88.3	0	0	0	108.2	Q108 G112 Y179 F192 P193	Q108-F110 VanDerWaalsContact C-N 3.3Å; F110-G112 PolarHBondContact O-N 3.03Å; F110-Y179 AromaticContact CE1-CE1 3.94Å; F110-Y179 HydrophobicContact CE1-CE1 3.94Å; F110-Y179 AromaticContact CE1-CE2 3.73Å; F110-Y179 HydrophobicContact CE1-CE2 3.73Å; F110-Y179 AromaticContact CE1-CZ 3.34Å; F110-Y179 WeakPolarHBondContact CE1-OH 3.12Å; F110-Y179 HydrophobicContact CZ-CE1 4.06Å; F110-Y179 AromaticContact CZ-CZ 3.92Å; F110-F192 HydrophobicContact CD1-CD1 4.11Å; F110-F192 HydrophobicContact CD1-CE1 4.16Å; F110-F192 HydrophobicContact CE1-CD1 4.32Å; F110-F192 HydrophobicContact CE1-CE1 4.04Å; F110-P193 HydrophobicContact CB-CG 4.02Å
111	E	46.3	Very low	69.4	Low	170 Å²	170	75.2 Å²	75.2	79%	0.794	38%	0.382	S	S	*	.	S	Bend	trans	-63.6	131.3	167.3	-67.6	-175.3	161.9	0	0	108.1	Q199	E111-Q199 WeakPolarHBondContact O-CG 3.37Å
112	G	50.9	Low	69.8	Low	35 Å²	35	75.9 Å²	75.9	36%	0.361	39%	0.386	S	S	.	.			trans	165.1	165.1	-176.8	0	0	0	0	0	113.8	F110 P194	F110-G112 PolarHBondContact O-N 3.03Å; G112-P194 CarbonylContact C-O 3.48Å; G112-P194 WeakPolarHBondContact CA-O 3.3Å
113	D	60.7	Low	70.5	Confident	74 Å²	74	75.1 Å²	75.1	40%	0.396	38%	0.379	S	S	.	.			trans	-96.6	151.6	176	-73.3	-46.1	0	0	0	111.1	K115 H117 P194	D113-K115 WeakPolarHBondContact CB-O 3.41Å; D113-K115 PolarHBondContact O-N 3.4Å; D113-K115 VanDerWaalsContact O-N 3.16Å; D113-H117 IonicContact OD2-CD2 3.91Å; D113-H117 IonicContact OD2-NE2 3.45Å; D113-H117 PolarHBondContact OD2-NE2 3.4Å; D113-P194 PolarHBondContact N-O 2.82Å
114	L	70.4	Confident	70.9	Confident	125 Å²	125	76.8 Å²	76.8	65%	0.654	38%	0.384	S	S	*	.	S	Bend	trans	-65.1	-16.6	174.9	-69.6	170.3	0	0	0	113.1
115	K	85.8	Confident	71.8	Confident	87 Å²	87	74.5 Å²	74.5	38%	0.378	37%	0.372	S	S	.	.	S	Bend	trans	-163.9	158.6	179.7	67.1	176.2	-169.9	177.2	0	111.5	D113 L442 Y443	D113-K115 WeakPolarHBondContact CB-O 3.41Å; D113-K115 PolarHBondContact O-N 3.4Å; D113-K115 VanDerWaalsContact O-N 3.16Å; K115-L442 HydrophobicContact CB-CB 4.3Å; K115-L442 HydrophobicContact CB-CD2 4.43Å; K115-L442 HydrophobicContact CD-CB 4.48Å; K115-L442 WeakPolarHBondContact CD-O 3.17Å; K115-L442 PolarHBondContact NZ-O 3.39Å; K115-Y443 WeakPolarHBondContact CA-OH 3.27Å; K115-Y443 HydrophobicContact CB-CE1 3.95Å; K115-Y443 HydrophobicContact CB-CE2 4.46Å
116	W	92.3	Very high	73.2	Confident	21 Å²	21	74.9 Å²	74.9	8%	0.08	36%	0.362	C	S	.	.			trans	-65.4	144	165.8	-64.2	105.4	0	0	0	111.8	H118 I121 D165 P194 G195 A406 Y443	W116-H118 VanDerWaalsContact C-N 3.32Å; W116-H118 AromaticContact CE3-CE1 3.53Å; W116-I121 HydrophobicContact CB-CD1 3.55Å; W116-I121 HydrophobicContact CD2-CD1 4.24Å; W116-I121 HydrophobicContact CG-CD1 3.54Å; W116-D165 HydrophobicContact CH2-CB 3.82Å; W116-D165 VanDerWaalsContact CH2-O 3.31Å; W116-D165 WeakPolarHBondContact CH2-O 3.31Å; W116-D165 HydrophobicContact CZ2-CB 3.9Å; W116-D165 WeakPolarHBondContact CZ2-O 3.17Å; W116-D165 HydrophobicContact CZ3-CB 4.18Å; W116-P194 HydrophobicContact CD2-CB 3.78Å; W116-P194 HydrophobicContact CE3-CB 4.33Å; W116-P194 HydrophobicContact CG-CB 4.01Å; W116-P194 HydrophobicContact CG-CG 4.45Å; W116-P194 HydrophobicContact CZ2-CB 4.11Å; W116-G195 WeakPolarHBondContact CH2-O 3.14Å; W116-G195 WeakPolarHBondContact CZ3-O 3.49Å; W116-A406 PolarHBondContact NE1-O 3.37Å; W116-Y443 HydrophobicContact CB-CE1 4.18Å; W116-Y443 PolarHBondContact N-OH 3.22Å
117	H	91.6	Very high	75	Confident	142 Å²	142	67.5 Å²	67.5	66%	0.657	34%	0.337	S	S	*	.	S	Bend	trans	-88.7	-1.2	178.4	-64.1	-44.2	0	0	0	113.6	D113	D113-H117 IonicContact OD2-CD2 3.91Å; D113-H117 IonicContact OD2-NE2 3.45Å; D113-H117 PolarHBondContact OD2-NE2 3.4Å
118	H	93.3	Very high	77	Confident	69 Å²	69	68.5 Å²	68.5	32%	0.319	34%	0.341	S	S	.	.	S	Bend	trans	-127.8	160.3	177.9	53.6	-76.7	0	0	0	110.4	W116 N120 I121 D165	W116-H118 VanDerWaalsContact C-N 3.32Å; W116-H118 AromaticContact CE3-CE1 3.53Å; H118-N120 PolarHBondContact CD2-O 3.39Å; H118-N120 VanDerWaalsContact CD2-O 3.29Å; H118-I121 WeakPolarHBondContact O-CD1 3.44Å; H118-D165 IonicContact CD2-OD2 3.92Å; H118-D165 IonicContact CE1-OD1 3.2Å; H118-D165 PolarHBondContact CE1-OD1 2.97Å; H118-D165 IonicContact NE2-OD1 2.84Å; H118-D165 PolarHBondContact NE2-OD1 3.19Å; H118-D165 IonicContact NE2-OD2 3.38Å; H118-D165 PolarHBondContact NE2-OD2 3.41Å
119	H	93.3	Very high	79.2	Confident	99 Å²	99	61.4 Å²	61.4	46%	0.458	31%	0.308	S	S	.	.	S	Bend	trans	-99.2	-22.1	-176.8	-65.4	86.1	0	0	0	113.5	I121 L154 T155	H119-I121 PolarHBondContact O-N 3.09Å; H119-L154 HydrophobicContact CB-CD2 4.34Å; H119-L154 CarbonylContact O-C 3.55Å; H119-L154 WeakPolarHBondContact O-CA 3.28Å; H119-T155 PolarHBondContact O-N 2.77Å
120	N	96.9	Very high	81	Confident	75 Å²	75	61 Å²	61	40%	0.401	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	89.4	176.9	-178	36.5	0	0	0	110.3	H118 T155 T157	H118-N120 PolarHBondContact CD2-O 3.39Å; H118-N120 VanDerWaalsContact CD2-O 3.29Å; N120-T155 CarbonylContact C-O 3.45Å; N120-T155 WeakPolarHBondContact CA-O 3.25Å; N120-T155 WeakPolarHBondContact CA-OG1 3.31Å; N120-T155 WeakPolarHBondContact CB-OG1 3.46Å; N120-T155 PolarHBondContact OD1-O 2.82Å; N120-T155 PolarHBondContact OD1-OG1 2.88Å; N120-T155 VanDerWaalsContact OD1-OG1 3.07Å; N120-T157 PolarHBondContact OD1-OG1 3.31Å
121	I	97.8	Very high	82.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	130	-179.3	-48.7	-52.1	0	0	0	108.9	W116 H118 H119 L154 T155 F156 T157 D165 I166 L407	W116-I121 HydrophobicContact CB-CD1 3.55Å; W116-I121 HydrophobicContact CD2-CD1 4.24Å; W116-I121 HydrophobicContact CG-CD1 3.54Å; H118-I121 WeakPolarHBondContact O-CD1 3.44Å; H119-I121 PolarHBondContact O-N 3.09Å; I121-L154 HydrophobicContact CG1-CD2 4.22Å; I121-T155 PolarHBondContact N-O 3.17Å; I121-F156 HydrophobicContact CB-CD1 3.81Å; I121-F156 HydrophobicContact CB-CE1 3.83Å; I121-F156 HydrophobicContact CG1-CE1 4.12Å; I121-F156 HydrophobicContact CG2-CD1 4.23Å; I121-F156 HydrophobicContact CG2-CE1 4.16Å; I121-F156 CarbonylContact O-C 3.42Å; I121-F156 VanDerWaalsContact O-CA 3.25Å; I121-F156 WeakPolarHBondContact O-CA 3.37Å; I121-T157 PolarHBondContact O-N 2.74Å; I121-D165 WeakPolarHBondContact CA-OD2 3.38Å; I121-D165 HydrophobicContact CG2-CB 3.69Å; I121-I166 HydrophobicContact CG2-CD1 3.79Å; I121-I166 HydrophobicContact CG2-CG1 4.1Å; I121-L407 HydrophobicContact CG1-CD2 4.37Å
122	T	97.4	Very high	84.2	Confident	26 Å²	26	52.7 Å²	52.7	16%	0.16	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	142.7	178.1	55.4	0	0	0	0	110.5	T157 V159 A164 D165 I166	T122-T157 CarbonylContact C-O 3.56Å; T122-T157 VanDerWaalsContact CA-O 3.23Å; T122-T157 WeakPolarHBondContact CA-O 3.2Å; T122-V159 HydrophobicContact CG2-CG1 3.92Å; T122-A164 WeakPolarHBondContact OG1-CA 3.45Å; T122-D165 PolarHBondContact N-OD2 3.22Å; T122-D165 WeakPolarHBondContact O-CB 3.24Å; T122-D165 PolarHBondContact O-N 3.48Å; T122-D165 PolarHBondContact OG1-N 3.01Å; T122-D165 PolarHBondContact OG1-OD2 3.25Å; T122-I166 PolarHBondContact O-N 2.92Å
123	Y	97.5	Very high	85.4	Confident	18 Å²	18	53.5 Å²	53.5	7%	0.071	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.1	176.4	75.6	-85.8	0	0	0	112.1	I125 F145 F156 T157 R158 V159 I166 I168	Y123-I125 HydrophobicContact CE2-CG1 4.43Å; Y123-F145 AromaticContact CD1-CD2 3.89Å; Y123-F145 HydrophobicContact CD1-CD2 3.89Å; Y123-F145 AromaticContact CD1-CE2 3.59Å; Y123-F145 HydrophobicContact CD1-CE2 3.59Å; Y123-F145 HydrophobicContact CD1-CZ 4.21Å; Y123-F145 HydrophobicContact CD2-CD2 4.32Å; Y123-F145 AromaticContact CD2-CE2 3.55Å; Y123-F145 HydrophobicContact CD2-CE2 3.55Å; Y123-F145 HydrophobicContact CD2-CZ 4.35Å; Y123-F145 AromaticContact CE1-CD2 3.84Å; Y123-F145 HydrophobicContact CE1-CD2 3.84Å; Y123-F145 AromaticContact CE1-CE2 3.96Å; Y123-F145 HydrophobicContact CE1-CE2 3.96Å; Y123-F145 HydrophobicContact CE2-CD2 4.26Å; Y123-F145 AromaticContact CE2-CE2 3.9Å; Y123-F145 HydrophobicContact CE2-CE2 3.9Å; Y123-F145 HydrophobicContact CG-CD2 4.12Å; Y123-F145 AromaticContact CG-CE2 3.37Å; Y123-F145 HydrophobicContact CG-CE2 3.37Å; Y123-F145 AromaticContact CG-CZ 3.88Å; Y123-F145 HydrophobicContact CG-CZ 3.88Å; Y123-F156 HydrophobicContact CD1-CB 4.28Å; Y123-F156 HydrophobicContact CE1-CB 4.28Å; Y123-T157 PolarHBondContact N-O 3.02Å; Y123-R158 HydrophobicContact CD1-CB 4.46Å; Y123-R158 HydrophobicContact CD2-CG 4.4Å; Y123-R158 HydrophobicContact CE1-CB 3.81Å; Y123-R158 HydrophobicContact CE1-CG 4.49Å; Y123-R158 HydrophobicContact CE2-CB 4.08Å; Y123-R158 HydrophobicContact CE2-CG 3.88Å; Y123-R158 CarbonylContact O-C 3.51Å; Y123-R158 WeakPolarHBondContact O-CA 3.37Å; Y123-V159 PolarHBondContact O-N 3.5Å; Y123-I166 CarbonylContact C-O 3.56Å; Y123-I166 WeakPolarHBondContact CA-O 3.46Å; Y123-I168 HydrophobicContact CD2-CD1 3.88Å
124	W	92.1	Very high	86.2	Confident	49 Å²	49	57.2 Å²	57.2	19%	0.186	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	139.7	176.2	174.2	49.2	0	0	0	110.9	Q126 V159 S161 R162 A164 I166 V167 I168	W124-Q126 HydrophobicContact CE3-CB 4.19Å; W124-Q126 HydrophobicContact CH2-CB 3.91Å; W124-Q126 HydrophobicContact CH2-CG 3.71Å; W124-Q126 HydrophobicContact CZ2-CB 4.34Å; W124-Q126 HydrophobicContact CZ2-CG 4.43Å; W124-Q126 HydrophobicContact CZ3-CB 3.77Å; W124-Q126 HydrophobicContact CZ3-CG 3.84Å; W124-V159 HydrophobicContact CB-CG2 4.39Å; W124-V159 VanDerWaalsContact CD1-O 3.22Å; W124-S161 VanDerWaalsContact CB-O 3.24Å; W124-S161 WeakPolarHBondContact CB-O 3.39Å; W124-R162 HydrophobicContact CE3-CB 4.46Å; W124-R162 HydrophobicContact CE3-CG 4.17Å; W124-R162 HydrophobicContact CH2-CG 4.02Å; W124-R162 HydrophobicContact CZ3-CB 4.21Å; W124-R162 HydrophobicContact CZ3-CG 3.53Å; W124-A164 HydrophobicContact CB-CB 3.82Å; W124-I166 PolarHBondContact N-O 3Å; W124-V167 HydrophobicContact CE3-CG1 3.68Å; W124-V167 HydrophobicContact CE3-CG2 4.2Å; W124-V167 HydrophobicContact CZ3-CG1 3.96Å; W124-I168 PolarHBondContact O-N 3.49Å
125	I	87.6	Confident	86.5	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	107.2	174.9	-55.3	165.9	0	0	0	107.3	Y123 N127 Y128 E138 F141 I168	Y123-I125 HydrophobicContact CE2-CG1 4.43Å; I125-N127 WeakPolarHBondContact CG2-O 3.48Å; I125-Y128 HydrophobicContact CD1-CE1 4.32Å; I125-Y128 HydrophobicContact CG2-CD1 4.17Å; I125-Y128 HydrophobicContact CG2-CD2 4.27Å; I125-Y128 HydrophobicContact CG2-CE1 3.79Å; I125-Y128 HydrophobicContact CG2-CE2 3.86Å; I125-Y128 HydrophobicContact CG2-CG 4.41Å; I125-E138 HydrophobicContact CD1-CG 3.9Å; I125-F141 HydrophobicContact CD1-CD2 3.73Å; I125-F141 HydrophobicContact CD1-CE2 4.35Å; I125-F141 HydrophobicContact CG1-CD2 3.93Å; I125-F141 HydrophobicContact CG1-CE2 4.29Å; I125-F141 HydrophobicContact CG2-CE2 4.28Å; I125-I168 HydrophobicContact CG1-CD1 4.24Å
126	Q	83.3	Confident	86.4	Confident	53 Å²	53	52.4 Å²	52.4	25%	0.248	26%	0.26	C	S	.	.			trans	-73.5	-43.1	-174.7	178.2	171	-0.3	0	0	112.2	W124 V167 I168	W124-Q126 HydrophobicContact CE3-CB 4.19Å; W124-Q126 HydrophobicContact CH2-CB 3.91Å; W124-Q126 HydrophobicContact CH2-CG 3.71Å; W124-Q126 HydrophobicContact CZ2-CB 4.34Å; W124-Q126 HydrophobicContact CZ2-CG 4.43Å; W124-Q126 HydrophobicContact CZ3-CB 3.77Å; W124-Q126 HydrophobicContact CZ3-CG 3.84Å; Q126-V167 HydrophobicContact CB-CG1 3.86Å; Q126-I168 WeakPolarHBondContact CB-O 3.41Å; Q126-I168 PolarHBondContact N-O 3.29Å
127	N	79.1	Confident	86.1	Confident	44 Å²	44	51.4 Å²	51.4	24%	0.235	26%	0.256	C	S	.	.			trans	-148.2	177	176	65.6	-19.1	0	0	0	110.5	I125 Q169 F170	I125-N127 WeakPolarHBondContact CG2-O 3.48Å; N127-Q169 VanDerWaalsContact OD1-CA 3.3Å; N127-Q169 WeakPolarHBondContact OD1-CA 3.45Å; N127-Q169 WeakPolarHBondContact OD1-CG 3.35Å; N127-F170 PolarHBondContact ND2-O 2.95Å; N127-F170 WeakPolarHBondContact O-CD2 3.36Å; N127-F170 PolarHBondContact OD1-N 3.43Å
128	Y	81.5	Confident	86	Confident	45 Å²	45	47.4 Å²	47.4	18%	0.176	24%	0.238	C	C	.	.			trans	-134.5	144.3	-173.7	-64.9	-99.7	0	0	0	109.6	I125 R134 I137 E138 R158	I125-Y128 HydrophobicContact CD1-CE1 4.32Å; I125-Y128 HydrophobicContact CG2-CD1 4.17Å; I125-Y128 HydrophobicContact CG2-CD2 4.27Å; I125-Y128 HydrophobicContact CG2-CE1 3.79Å; I125-Y128 HydrophobicContact CG2-CE2 3.86Å; I125-Y128 HydrophobicContact CG2-CG 4.41Å; Y128-R134 HydrophobicContact CD1-CB 4.11Å; Y128-R134 HydrophobicContact CD1-CG 3.97Å; Y128-R134 HydrophobicContact CE1-CB 4.1Å; Y128-R134 HydrophobicContact CE1-CG 4.32Å; Y128-R134 HydrophobicContact CG-CG 4.08Å; Y128-I137 HydrophobicContact CD1-CB 3.99Å; Y128-I137 HydrophobicContact CD1-CD1 3.89Å; Y128-I137 HydrophobicContact CD1-CG2 3.69Å; Y128-I137 HydrophobicContact CE1-CB 4.37Å; Y128-I137 HydrophobicContact CE1-CG2 4.04Å; Y128-I137 HydrophobicContact CG-CD1 4.48Å; Y128-E138 HydrophobicContact CE1-CG 3.85Å; Y128-E138 PolarHBondContact OH-OE1 2.9Å; Y128-R158 PolarHBondContact OH-NH2 3.43Å
129	S	82.6	Confident	85.8	Confident	6 Å²	6	47.9 Å²	47.9	4%	0.042	24%	0.242	C	C	.	.			trans	-70.5	149.3	165.8	-173	0	0	0	0	111.5	D131 I137 D206	S129-D131 VanDerWaalsContact C-N 3.32Å; S129-I137 WeakPolarHBondContact O-CD1 3.4Å; S129-D206 WeakPolarHBondContact CA-OD1 3.41Å; S129-D206 WeakPolarHBondContact CB-OD1 3.23Å; S129-D206 PolarHBondContact OG-OD1 2.94Å
130	E	76.3	Confident	85.8	Confident	97 Å²	97	43.2 Å²	43.2	45%	0.453	22%	0.221	S	C	.	.	S	Bend	trans	-81.7	-10.6	177.4	-63.9	-166.3	172.5	0	0	113.7	L132 Y311 T331	E130-L132 VanDerWaalsContact C-N 3.28Å; E130-L132 PolarHBondContact O-N 2.94Å; E130-Y311 WeakPolarHBondContact OE1-CE1 3.3Å; E130-T331 HydrophobicContact CB-CG2 4.44Å
131	D	79.4	Confident	85.9	Confident	28 Å²	28	39.6 Å²	39.6	15%	0.15	20%	0.202	C	C	.	.	S	Bend	trans	-70	-27.3	-176.4	-64.8	-25.2	0	0	0	113.2	S129 L209 W210	S129-D131 VanDerWaalsContact C-N 3.32Å; D131-L209 HydrophobicContact CB-CD1 4.07Å; D131-L209 WeakPolarHBondContact OD2-CA 3.27Å; D131-W210 HydrophobicContact CB-CB 4.24Å; D131-W210 WeakPolarHBondContact CB-O 3.4Å; D131-W210 PolarHBondContact OD2-N 2.84Å
132	L	78.6	Confident	85.7	Confident	7 Å²	7	41.6 Å²	41.6	4%	0.037	22%	0.218	C	C	.	.	S	Bend	trans	-124.5	144.2	-177.3	-69.4	173.9	0	0	0	111.4	E130 R134 V136 I137 W210 V217 L395	E130-L132 VanDerWaalsContact C-N 3.28Å; E130-L132 PolarHBondContact O-N 2.94Å; L132-R134 PolarHBondContact O-N 3.4Å; L132-V136 HydrophobicContact CD2-CG1 4.28Å; L132-I137 HydrophobicContact CB-CD1 4Å; L132-I137 HydrophobicContact CB-CG1 3.66Å; L132-I137 HydrophobicContact CD1-CG1 4.3Å; L132-W210 HydrophobicContact CD1-CB 4.11Å; L132-W210 WeakPolarHBondContact CG-O 3.35Å; L132-V217 HydrophobicContact CD2-CB 4.31Å; L132-V217 HydrophobicContact CD2-CG2 4.36Å; L132-L395 HydrophobicContact CD1-CB 4.21Å; L132-L395 HydrophobicContact CD1-CD2 4.05Å
133	P	75.9	Confident	85.6	Confident	52 Å²	52	44.8 Å²	44.8	34%	0.338	23%	0.227	S	C	.	.			trans	-57.4	139.4	168.9	-21	31.6	0	0	0	110.8	A135 V136 I137 P219	P133-A135 PolarHBondContact O-N 3.18Å; P133-A135 VanDerWaalsContact O-N 3.1Å; P133-V136 HydrophobicContact CB-CG2 4.06Å; P133-V136 HydrophobicContact CG-CG2 4.06Å; P133-V136 WeakPolarHBondContact O-CA 3.2Å; P133-V136 WeakPolarHBondContact O-CB 3.38Å; P133-V136 PolarHBondContact O-N 2.85Å; P133-I137 PolarHBondContact O-N 3.29Å; P133-I137 VanDerWaalsContact O-N 3.16Å; P133-P219 HydrophobicContact CG-CG 4.28Å
134	R	78.3	Confident	85.6	Confident	153 Å²	153	44 Å²	44	58%	0.577	22%	0.224	S	C	*	.	H	α-helix	trans	-50.1	-42.4	-179.2	-64	-173.5	-177.7	-156.1	0.4	113.3	Y128 L132 V136 I137 E138	Y128-R134 HydrophobicContact CD1-CB 4.11Å; Y128-R134 HydrophobicContact CD1-CG 3.97Å; Y128-R134 HydrophobicContact CE1-CB 4.1Å; Y128-R134 HydrophobicContact CE1-CG 4.32Å; Y128-R134 HydrophobicContact CG-CG 4.08Å; L132-R134 PolarHBondContact O-N 3.4Å; R134-V136 VanDerWaalsContact C-N 3.25Å; R134-V136 PolarHBondContact O-N 3.18Å; R134-I137 PolarHBondContact O-N 3Å; R134-E138 VanDerWaalsContact O-CG 3.28Å; R134-E138 WeakPolarHBondContact O-CG 3.45Å; R134-E138 PolarHBondContact O-N 3.09Å
135	A	76.8	Confident	85.9	Confident	75 Å²	75	41.8 Å²	41.8	62%	0.62	22%	0.216	S	C	*	.	H	α-helix	trans	-60.7	-33.5	177.8	0	0	0	0	0	113.2	P133 D139	P133-A135 PolarHBondContact O-N 3.18Å; P133-A135 VanDerWaalsContact O-N 3.1Å; A135-D139 WeakPolarHBondContact O-CB 3.47Å; A135-D139 PolarHBondContact O-N 2.95Å; A135-D139 VanDerWaalsContact O-N 3.08Å
136	V	83.3	Confident	86.3	Confident	35 Å²	35	43.9 Å²	43.9	21%	0.212	23%	0.233	C	C	.	.	H	α-helix	trans	-72.9	-40.4	176.7	179	0	0	0	0	110.7	L132 P133 R134 D139 A140 L212	L132-V136 HydrophobicContact CD2-CG1 4.28Å; P133-V136 HydrophobicContact CB-CG2 4.06Å; P133-V136 HydrophobicContact CG-CG2 4.06Å; P133-V136 WeakPolarHBondContact O-CA 3.2Å; P133-V136 WeakPolarHBondContact O-CB 3.38Å; P133-V136 PolarHBondContact O-N 2.85Å; R134-V136 VanDerWaalsContact C-N 3.25Å; R134-V136 PolarHBondContact O-N 3.18Å; V136-D139 PolarHBondContact O-N 3Å; V136-A140 WeakPolarHBondContact O-CB 3.41Å; V136-A140 PolarHBondContact O-N 2.76Å; V136-L212 HydrophobicContact CG1-CD1 4.1Å; V136-L212 HydrophobicContact CG1-CD2 3.98Å; V136-L212 HydrophobicContact CG1-CG 4.22Å
137	I	86.7	Confident	86.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-47.9	174.7	-67.1	172.1	0	0	0	110.4	Y128 S129 L132 P133 R134 D139 A140 F141 F170 L395	Y128-I137 HydrophobicContact CD1-CB 3.99Å; Y128-I137 HydrophobicContact CD1-CD1 3.89Å; Y128-I137 HydrophobicContact CD1-CG2 3.69Å; Y128-I137 HydrophobicContact CE1-CB 4.37Å; Y128-I137 HydrophobicContact CE1-CG2 4.04Å; Y128-I137 HydrophobicContact CG-CD1 4.48Å; S129-I137 WeakPolarHBondContact O-CD1 3.4Å; L132-I137 HydrophobicContact CB-CD1 4Å; L132-I137 HydrophobicContact CB-CG1 3.66Å; L132-I137 HydrophobicContact CD1-CG1 4.3Å; P133-I137 PolarHBondContact O-N 3.29Å; P133-I137 VanDerWaalsContact O-N 3.16Å; R134-I137 PolarHBondContact O-N 3Å; I137-D139 PolarHBondContact O-N 3.41Å; I137-A140 PolarHBondContact O-N 2.64Å; I137-F141 HydrophobicContact CG2-CD2 3.74Å; I137-F141 HydrophobicContact CG2-CE2 3.31Å; I137-F141 HydrophobicContact CG2-CZ 3.95Å; I137-F141 WeakPolarHBondContact O-CD2 3.36Å; I137-F141 WeakPolarHBondContact O-CG 3.42Å; I137-F141 PolarHBondContact O-N 3.03Å; I137-F170 HydrophobicContact CG2-CE2 4.32Å; I137-F170 HydrophobicContact CG2-CZ 4.36Å; I137-L395 HydrophobicContact CB-CD2 4.14Å; I137-L395 HydrophobicContact CG1-CD2 3.83Å; I137-L395 HydrophobicContact CG2-CD2 3.95Å
138	E	87.5	Confident	87.7	Confident	59 Å²	59	40.7 Å²	40.7	28%	0.276	22%	0.218	S	C	.	.	H	α-helix	trans	-61.8	-42.4	179.3	-67.9	-179.7	177.3	0	0	112.5	I125 Y128 R134 A142 R158	I125-E138 HydrophobicContact CD1-CG 3.9Å; Y128-E138 HydrophobicContact CE1-CG 3.85Å; Y128-E138 PolarHBondContact OH-OE1 2.9Å; R134-E138 VanDerWaalsContact O-CG 3.28Å; R134-E138 WeakPolarHBondContact O-CG 3.45Å; R134-E138 PolarHBondContact O-N 3.09Å; E138-A142 VanDerWaalsContact O-CB 3.3Å; E138-A142 WeakPolarHBondContact O-CB 3.31Å; E138-A142 PolarHBondContact O-N 3.08Å; E138-R158 VanDerWaalsContact CD-NH2 3.3Å; E138-R158 IonicContact OE1-CZ 3.92Å; E138-R158 IonicContact OE1-NH1 3.74Å; E138-R158 PolarHBondContact OE1-NH1 3.23Å; E138-R158 IonicContact OE1-NH2 3.76Å; E138-R158 PolarHBondContact OE1-NH2 2.84Å; E138-R158 IonicContact OE2-CZ 2.97Å; E138-R158 IonicContact OE2-NH1 2.81Å; E138-R158 PolarHBondContact OE2-NH1 3.13Å; E138-R158 IonicContact OE2-NH2 2.72Å
139	D	89.4	Confident	88.4	Confident	79 Å²	79	40 Å²	40	42%	0.422	22%	0.22	S	C	.	.	H	α-helix	trans	-63.6	-44.3	173.8	174.7	78.3	0	0	0	112	A135 V136 I137 F141 A142 R143	A135-D139 WeakPolarHBondContact O-CB 3.47Å; A135-D139 PolarHBondContact O-N 2.95Å; A135-D139 VanDerWaalsContact O-N 3.08Å; V136-D139 PolarHBondContact O-N 3Å; I137-D139 PolarHBondContact O-N 3.41Å; D139-F141 PolarHBondContact O-N 2.86Å; D139-A142 PolarHBondContact O-N 2.84Å; D139-R143 WeakPolarHBondContact O-CB 3.47Å; D139-R143 WeakPolarHBondContact O-CG 3.31Å; D139-R143 PolarHBondContact O-N 3.08Å; D139-R143 IonicContact OD1-NE 3.97Å; D139-R143 IonicContact OD2-CZ 3.43Å; D139-R143 IonicContact OD2-NE 2.8Å; D139-R143 PolarHBondContact OD2-NE 3.31Å; D139-R143 IonicContact OD2-NH2 3.39Å; D139-R143 PolarHBondContact OD2-NH2 3.37Å
140	A	94.8	Very high	89	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.4	-47.6	179.5	0	0	0	0	0	111.5	V136 I137 R143 A144 L395 F396	V136-A140 WeakPolarHBondContact O-CB 3.41Å; V136-A140 PolarHBondContact O-N 2.76Å; I137-A140 PolarHBondContact O-N 2.64Å; A140-R143 PolarHBondContact O-N 3.18Å; A140-A144 WeakPolarHBondContact O-CB 3.22Å; A140-A144 PolarHBondContact O-N 3.08Å; A140-L395 HydrophobicContact CB-CD2 4.33Å; A140-L395 HydrophobicContact CB-CG 4.41Å; A140-F396 HydrophobicContact CB-CB 4.25Å
141	F	97.2	Very high	90	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-41.8	176.5	-64.5	-33	0	0	0	112.5	I125 I137 D139 R143 A144 F145 I168 F170 F204 L395 A399 F403	I125-F141 HydrophobicContact CD1-CD2 3.73Å; I125-F141 HydrophobicContact CD1-CE2 4.35Å; I125-F141 HydrophobicContact CG1-CD2 3.93Å; I125-F141 HydrophobicContact CG1-CE2 4.29Å; I125-F141 HydrophobicContact CG2-CE2 4.28Å; I137-F141 HydrophobicContact CG2-CD2 3.74Å; I137-F141 HydrophobicContact CG2-CE2 3.31Å; I137-F141 HydrophobicContact CG2-CZ 3.95Å; I137-F141 WeakPolarHBondContact O-CD2 3.36Å; I137-F141 WeakPolarHBondContact O-CG 3.42Å; I137-F141 PolarHBondContact O-N 3.03Å; D139-F141 PolarHBondContact O-N 2.86Å; F141-R143 VanDerWaalsContact C-N 3.32Å; F141-R143 PolarHBondContact O-N 3.33Å; F141-A144 WeakPolarHBondContact O-CB 3.45Å; F141-A144 PolarHBondContact O-N 3.19Å; F141-F145 VanDerWaalsContact O-CD2 3.29Å; F141-F145 WeakPolarHBondContact O-CD2 3.47Å; F141-F145 PolarHBondContact O-N 2.61Å; F141-I168 HydrophobicContact CB-CD1 4.47Å; F141-I168 HydrophobicContact CD2-CD1 4.09Å; F141-I168 HydrophobicContact CD2-CG2 4.28Å; F141-I168 HydrophobicContact CE1-CG2 4.2Å; F141-I168 HydrophobicContact CE2-CD1 4.44Å; F141-I168 HydrophobicContact CE2-CG2 3.56Å; F141-I168 HydrophobicContact CG-CD1 4.2Å; F141-I168 HydrophobicContact CZ-CG2 3.51Å; F141-F170 HydrophobicContact CE2-CE2 4.09Å; F141-F170 HydrophobicContact CE2-CZ 4.29Å; F141-F170 AromaticContact CZ-CE2 3.83Å; F141-F170 HydrophobicContact CZ-CE2 3.83Å; F141-F170 AromaticContact CZ-CZ 3.66Å; F141-F170 HydrophobicContact CZ-CZ 3.66Å; F141-F204 HydrophobicContact CE1-CE1 4.21Å; F141-F204 HydrophobicContact CE1-CE2 4.07Å; F141-F204 AromaticContact CE1-CZ 3.8Å; F141-F204 HydrophobicContact CE1-CZ 3.8Å; F141-F204 HydrophobicContact CZ-CE2 4.22Å; F141-F204 HydrophobicContact CZ-CZ 4.39Å; F141-L395 HydrophobicContact CD1-CG 4.45Å; F141-L395 HydrophobicContact CE1-CD1 3.65Å; F141-L395 HydrophobicContact CE1-CD2 4.02Å; F141-L395 HydrophobicContact CE1-CG 3.78Å; F141-L395 HydrophobicContact CZ-CD1 3.97Å; F141-L395 HydrophobicContact CZ-CD2 4.05Å; F141-L395 HydrophobicContact CZ-CG 4.24Å; F141-A399 HydrophobicContact CD1-CB 3.53Å; F141-A399 HydrophobicContact CE1-CB 3.7Å; F141-F403 HydrophobicContact CB-CE2 4.27Å; F141-F403 HydrophobicContact CB-CZ 4.22Å; F141-F403 HydrophobicContact CD1-CE2 4.31Å; F141-F403 AromaticContact CD1-CZ 3.82Å; F141-F403 HydrophobicContact CD1-CZ 3.82Å; F141-F403 HydrophobicContact CE1-CZ 4.48Å; F141-F403 HydrophobicContact CG-CZ 4.19Å
142	A	94.8	Very high	90.8	Very high	41 Å²	41	37.9 Å²	37.9	34%	0.339	22%	0.22	S	C	.	.	H	α-helix	trans	-60.5	-42.5	176.2	0	0	0	0	0	111.8	E138 D139 F145 A146	E138-A142 VanDerWaalsContact O-CB 3.3Å; E138-A142 WeakPolarHBondContact O-CB 3.31Å; E138-A142 PolarHBondContact O-N 3.08Å; D139-A142 PolarHBondContact O-N 2.84Å; A142-F145 PolarHBondContact O-N 3.03Å; A142-A146 WeakPolarHBondContact O-CB 3.27Å; A142-A146 PolarHBondContact O-N 2.87Å
143	R	95.3	Very high	91.7	Very high	94 Å²	94	39.4 Å²	39.4	36%	0.355	23%	0.23	S	C	.	.	H	α-helix	trans	-66.6	-37.6	174.9	-74.1	-167.6	-70.8	124.4	-1.1	112.4	D139 A140 F141 A146 L147 F396	D139-R143 WeakPolarHBondContact O-CB 3.47Å; D139-R143 WeakPolarHBondContact O-CG 3.31Å; D139-R143 PolarHBondContact O-N 3.08Å; D139-R143 IonicContact OD1-NE 3.97Å; D139-R143 IonicContact OD2-CZ 3.43Å; D139-R143 IonicContact OD2-NE 2.8Å; D139-R143 PolarHBondContact OD2-NE 3.31Å; D139-R143 IonicContact OD2-NH2 3.39Å; D139-R143 PolarHBondContact OD2-NH2 3.37Å; A140-R143 PolarHBondContact O-N 3.18Å; F141-R143 VanDerWaalsContact C-N 3.32Å; F141-R143 PolarHBondContact O-N 3.33Å; R143-A146 WeakPolarHBondContact O-CB 3.22Å; R143-A146 PolarHBondContact O-N 2.75Å; R143-L147 PolarHBondContact O-N 2.75Å; R143-F396 HydrophobicContact CB-CD2 3.79Å; R143-F396 HydrophobicContact CB-CE2 3.67Å
144	A	97.7	Very high	92.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-45.8	176	0	0	0	0	0	111.4	A140 F141 A146 L147 F396 A399 A400 F403	A140-A144 WeakPolarHBondContact O-CB 3.22Å; A140-A144 PolarHBondContact O-N 3.08Å; F141-A144 WeakPolarHBondContact O-CB 3.45Å; F141-A144 PolarHBondContact O-N 3.19Å; A144-A146 VanDerWaalsContact C-N 3.32Å; A144-A146 PolarHBondContact O-N 3.4Å; A144-L147 WeakPolarHBondContact O-CB 3.47Å; A144-L147 PolarHBondContact O-N 2.9Å; A144-F396 HydrophobicContact CB-CD2 4.25Å; A144-A399 HydrophobicContact CB-CB 3.99Å; A144-A400 HydrophobicContact CB-CB 3.98Å; A144-F403 HydrophobicContact CB-CD2 3.68Å; A144-F403 HydrophobicContact CB-CE2 3.64Å
145	F	97.8	Very high	93.6	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.018	21%	0.209	C	C	.	.	H	α-helix	trans	-64.9	-33.3	171.8	-76	-55.4	0	0	0	113.6	Y123 F141 A142 L147 W148 S149 F156 I166 I168 F403	Y123-F145 AromaticContact CD1-CD2 3.89Å; Y123-F145 HydrophobicContact CD1-CD2 3.89Å; Y123-F145 AromaticContact CD1-CE2 3.59Å; Y123-F145 HydrophobicContact CD1-CE2 3.59Å; Y123-F145 HydrophobicContact CD1-CZ 4.21Å; Y123-F145 HydrophobicContact CD2-CD2 4.32Å; Y123-F145 AromaticContact CD2-CE2 3.55Å; Y123-F145 HydrophobicContact CD2-CE2 3.55Å; Y123-F145 HydrophobicContact CD2-CZ 4.35Å; Y123-F145 AromaticContact CE1-CD2 3.84Å; Y123-F145 HydrophobicContact CE1-CD2 3.84Å; Y123-F145 AromaticContact CE1-CE2 3.96Å; Y123-F145 HydrophobicContact CE1-CE2 3.96Å; Y123-F145 HydrophobicContact CE2-CD2 4.26Å; Y123-F145 AromaticContact CE2-CE2 3.9Å; Y123-F145 HydrophobicContact CE2-CE2 3.9Å; Y123-F145 HydrophobicContact CG-CD2 4.12Å; Y123-F145 AromaticContact CG-CE2 3.37Å; Y123-F145 HydrophobicContact CG-CE2 3.37Å; Y123-F145 AromaticContact CG-CZ 3.88Å; Y123-F145 HydrophobicContact CG-CZ 3.88Å; F141-F145 VanDerWaalsContact O-CD2 3.29Å; F141-F145 WeakPolarHBondContact O-CD2 3.47Å; F141-F145 PolarHBondContact O-N 2.61Å; A142-F145 PolarHBondContact O-N 3.03Å; F145-L147 PolarHBondContact O-N 2.83Å; F145-W148 PolarHBondContact O-N 2.94Å; F145-S149 PolarHBondContact O-N 2.83Å; F145-S149 VanDerWaalsContact O-N 3.09Å; F145-S149 PolarHBondContact O-OG 2.95Å; F145-F156 HydrophobicContact CB-CB 3.95Å; F145-F156 HydrophobicContact CB-CD1 4.23Å; F145-F156 HydrophobicContact CB-CD2 3.67Å; F145-F156 HydrophobicContact CB-CE2 4.22Å; F145-F156 HydrophobicContact CB-CG 3.67Å; F145-F156 HydrophobicContact CD1-CB 4.37Å; F145-F156 AromaticContact CD1-CD1 3.26Å; F145-F156 HydrophobicContact CD1-CD1 3.26Å; F145-F156 HydrophobicContact CD1-CD2 4.11Å; F145-F156 AromaticContact CD1-CE1 3.4Å; F145-F156 HydrophobicContact CD1-CE1 3.4Å; F145-F156 HydrophobicContact CD1-CE2 4.21Å; F145-F156 AromaticContact CD1-CG 3.64Å; F145-F156 HydrophobicContact CD1-CG 3.64Å; F145-F156 AromaticContact CD1-CZ 3.89Å; F145-F156 HydrophobicContact CD1-CZ 3.89Å; F145-F156 AromaticContact CE1-CD1 3.7Å; F145-F156 HydrophobicContact CE1-CD1 3.7Å; F145-F156 AromaticContact CE1-CE1 3.79Å; F145-F156 HydrophobicContact CE1-CE1 3.79Å; F145-F156 HydrophobicContact CE1-CG 4.45Å; F145-F156 HydrophobicContact CG-CB 4.06Å; F145-F156 AromaticContact CG-CD1 3.83Å; F145-F156 HydrophobicContact CG-CD1 3.83Å; F145-F156 HydrophobicContact CG-CD2 4.19Å; F145-F156 HydrophobicContact CG-CE1 4.33Å; F145-F156 AromaticContact CG-CG 3.75Å; F145-F156 HydrophobicContact CG-CG 3.75Å; F145-F156 WeakPolarHBondContact O-CD2 3.42Å; F145-F156 VanDerWaalsContact O-CE2 3.31Å; F145-F156 WeakPolarHBondContact O-CE2 3.1Å; F145-I166 HydrophobicContact CE1-CD1 3.76Å; F145-I166 HydrophobicContact CZ-CD1 4.1Å; F145-I166 HydrophobicContact CZ-CG2 4.22Å; F145-I168 HydrophobicContact CE2-CD1 4.11Å; F145-I168 HydrophobicContact CZ-CD1 4.38Å; F145-F403 HydrophobicContact CD1-CB 4.34Å; F145-F403 AromaticContact CD1-CD2 3.56Å; F145-F403 HydrophobicContact CD1-CD2 3.56Å; F145-F403 HydrophobicContact CD1-CE2 4.05Å; F145-F403 HydrophobicContact CD1-CG 4.03Å; F145-F403 HydrophobicContact CD2-CD2 4.01Å; F145-F403 AromaticContact CD2-CE2 3.63Å; F145-F403 HydrophobicContact CD2-CE2 3.63Å; F145-F403 HydrophobicContact CD2-CZ 4.32Å; F145-F403 HydrophobicContact CE1-CB 4.03Å; F145-F403 HydrophobicContact CE1-CD1 4.02Å; F145-F403 AromaticContact CE1-CD2 3.45Å; F145-F403 HydrophobicContact CE1-CD2 3.45Å; F145-F403 VanDerWaalsContact CE1-CD2 3.45Å; F145-F403 HydrophobicContact CE1-CE1 4.38Å; F145-F403 AromaticContact CE1-CE2 3.85Å; F145-F403 HydrophobicContact CE1-CE2 3.85Å; F145-F403 AromaticContact CE1-CG 3.55Å; F145-F403 HydrophobicContact CE1-CG 3.55Å; F145-F403 HydrophobicContact CE1-CZ 4.31Å; F145-F403 AromaticContact CE2-CD2 3.91Å; F145-F403 HydrophobicContact CE2-CD2 3.91Å; F145-F403 HydrophobicContact CE2-CE1 4.3Å; F145-F403 AromaticContact CE2-CE2 3.39Å; F145-F403 HydrophobicContact CE2-CE2 3.39Å; F145-F403 AromaticContact CE2-CZ 3.64Å; F145-F403 HydrophobicContact CE2-CZ 3.64Å; F145-F403 AromaticContact CG-CD2 3.84Å; F145-F403 HydrophobicContact CG-CD2 3.84Å; F145-F403 AromaticContact CG-CE2 3.95Å; F145-F403 HydrophobicContact CG-CE2 3.95Å; F145-F403 AromaticContact CZ-CD1 3.92Å; F145-F403 HydrophobicContact CZ-CD1 3.92Å; F145-F403 AromaticContact CZ-CD2 3.64Å; F145-F403 HydrophobicContact CZ-CD2 3.64Å; F145-F403 AromaticContact CZ-CE1 3.84Å; F145-F403 HydrophobicContact CZ-CE1 3.84Å; F145-F403 AromaticContact CZ-CE2 3.52Å; F145-F403 HydrophobicContact CZ-CE2 3.52Å; F145-F403 AromaticContact CZ-CG 3.85Å; F145-F403 HydrophobicContact CZ-CG 3.85Å; F145-F403 AromaticContact CZ-CZ 3.64Å; F145-F403 HydrophobicContact CZ-CZ 3.64Å
146	A	95.4	Very high	94.6	Very high	49 Å²	49	31.4 Å²	31.4	41%	0.405	19%	0.187	S	C	.	.	H	α-helix	trans	-61.6	-30	177.3	0	0	0	0	0	112.6	A142 R143 A144 S149 A150	A142-A146 WeakPolarHBondContact O-CB 3.27Å; A142-A146 PolarHBondContact O-N 2.87Å; R143-A146 WeakPolarHBondContact O-CB 3.22Å; R143-A146 PolarHBondContact O-N 2.75Å; A144-A146 VanDerWaalsContact C-N 3.32Å; A144-A146 PolarHBondContact O-N 3.4Å; A146-S149 WeakPolarHBondContact CA-OG 3.47Å; A146-S149 PolarHBondContact O-OG 3.02Å; A146-A150 VanDerWaalsContact O-CB 3.26Å; A146-A150 WeakPolarHBondContact O-CB 3.2Å; A146-A150 PolarHBondContact O-N 2.82Å
147	L	95.6	Very high	95.2	Very high	31 Å²	31	32.6 Å²	32.6	16%	0.162	19%	0.194	C	C	.	.	H	α-helix	trans	-61	-49.2	175	-67.5	168.1	0	0	0	111.5	R143 A144 F145 A150 F396 A400 P430 L431	R143-L147 PolarHBondContact O-N 2.75Å; A144-L147 WeakPolarHBondContact O-CB 3.47Å; A144-L147 PolarHBondContact O-N 2.9Å; F145-L147 PolarHBondContact O-N 2.83Å; L147-A150 WeakPolarHBondContact O-CB 3.24Å; L147-A150 PolarHBondContact O-N 2.77Å; L147-F396 HydrophobicContact CD1-CE2 3.83Å; L147-F396 HydrophobicContact CD1-CZ 3.65Å; L147-F396 HydrophobicContact CD2-CZ 4.35Å; L147-F396 HydrophobicContact CG-CE2 4.29Å; L147-F396 HydrophobicContact CG-CZ 4.19Å; L147-A400 HydrophobicContact CD1-CB 3.55Å; L147-P430 HydrophobicContact CD1-CG 3.46Å; L147-P430 VanDerWaalsContact CD1-CG 3.46Å; L147-P430 HydrophobicContact CD2-CG 3.77Å; L147-P430 HydrophobicContact CG-CG 4.27Å; L147-L431 HydrophobicContact CB-CD1 4.03Å; L147-L431 HydrophobicContact CB-CG 4.26Å; L147-L431 WeakPolarHBondContact O-CD1 3.3Å
148	W	97.5	Very high	95.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-70.5	-41.4	-177.5	-60.9	118.9	0	0	0	112.3	F145 A150 V151 T152 F156 A400 L407 L409 L418 M419 L431 D435 I439	F145-W148 PolarHBondContact O-N 2.94Å; W148-A150 VanDerWaalsContact C-N 3.28Å; W148-A150 PolarHBondContact O-N 3.03Å; W148-V151 PolarHBondContact O-N 3.23Å; W148-T152 WeakPolarHBondContact O-CG2 3.35Å; W148-T152 PolarHBondContact O-N 3.07Å; W148-T152 PolarHBondContact O-OG1 3.32Å; W148-F156 HydrophobicContact CB-CE2 4.17Å; W148-F156 HydrophobicContact CB-CZ 4.2Å; W148-A400 VanDerWaalsContact CZ2-O 3.29Å; W148-A400 WeakPolarHBondContact CZ2-O 3.34Å; W148-A400 PolarHBondContact NE1-O 2.99Å; W148-L407 HydrophobicContact CB-CD1 3.72Å; W148-L407 HydrophobicContact CD2-CD1 4.16Å; W148-L407 HydrophobicContact CG-CD1 3.62Å; W148-L409 HydrophobicContact CE3-CD1 4.47Å; W148-L409 HydrophobicContact CH2-CD1 3.4Å; W148-L409 VanDerWaalsContact CH2-CD1 3.4Å; W148-L409 HydrophobicContact CZ2-CD1 4.22Å; W148-L409 HydrophobicContact CZ3-CD1 3.56Å; W148-L418 HydrophobicContact CH2-CD2 4.22Å; W148-L418 HydrophobicContact CZ2-CD2 3.77Å; W148-M419 HydrophobicContact CH2-CG 4.28Å; W148-M419 HydrophobicContact CH2-SD 4.13Å; W148-M419 HydrophobicContact CZ2-SD 4.05Å; W148-L431 HydrophobicContact CE3-CD2 4.09Å; W148-L431 HydrophobicContact CH2-CD2 3.67Å; W148-L431 HydrophobicContact CZ2-CD2 4.16Å; W148-L431 HydrophobicContact CZ3-CD2 3.63Å; W148-D435 HydrophobicContact CH2-CB 4.17Å; W148-D435 HydrophobicContact CZ3-CB 4.24Å; W148-I439 HydrophobicContact CE3-CB 4.04Å; W148-I439 HydrophobicContact CE3-CD1 4.28Å; W148-I439 HydrophobicContact CE3-CG1 3.89Å; W148-I439 HydrophobicContact CE3-CG2 4.06Å; W148-I439 HydrophobicContact CZ3-CB 4.01Å; W148-I439 HydrophobicContact CZ3-CG1 4.31Å; W148-I439 HydrophobicContact CZ3-CG2 4.13Å
149	S	96.1	Very high	95.6	Very high	31 Å²	31	34.4 Å²	34.4	22%	0.217	20%	0.202	C	C	.	.	H	α-helix	trans	-71	-20.1	176	53.3	0	0	0	0	113.6	F145 A146 V151 T152 L154	F145-S149 PolarHBondContact O-N 2.83Å; F145-S149 VanDerWaalsContact O-N 3.09Å; F145-S149 PolarHBondContact O-OG 2.95Å; A146-S149 WeakPolarHBondContact CA-OG 3.47Å; A146-S149 PolarHBondContact O-OG 3.02Å; S149-V151 VanDerWaalsContact C-N 3.26Å; S149-V151 PolarHBondContact O-N 3.07Å; S149-T152 VanDerWaalsContact O-O 3.07Å; S149-L154 WeakPolarHBondContact CB-O 3.07Å
150	A	95.2	Very high	95.3	Very high	53 Å²	53	38.9 Å²	38.9	44%	0.438	22%	0.215	S	C	.	.	H	α-helix	trans	-64.8	-33	174.9	0	0	0	0	0	112.3	A146 L147 W148 R446	A146-A150 VanDerWaalsContact O-CB 3.26Å; A146-A150 WeakPolarHBondContact O-CB 3.2Å; A146-A150 PolarHBondContact O-N 2.82Å; L147-A150 WeakPolarHBondContact O-CB 3.24Å; L147-A150 PolarHBondContact O-N 2.77Å; W148-A150 VanDerWaalsContact C-N 3.28Å; W148-A150 PolarHBondContact O-N 3.03Å; A150-R446 WeakPolarHBondContact O-CD 3.3Å
151	V	96.3	Very high	94.5	Very high	32 Å²	32	41 Å²	41	19%	0.194	23%	0.229	C	C	.	.	H	α-helix	trans	-110.1	-3.8	-173	-60.1	0	0	0	0	114.3	W148 S149 L431 V436 I439 Q440 R446	W148-V151 PolarHBondContact O-N 3.23Å; S149-V151 VanDerWaalsContact C-N 3.26Å; S149-V151 PolarHBondContact O-N 3.07Å; V151-L431 HydrophobicContact CG1-CD1 4.34Å; V151-L431 HydrophobicContact CG2-CD1 4.14Å; V151-V436 HydrophobicContact CB-CG1 4.38Å; V151-V436 HydrophobicContact CG1-CG2 4.31Å; V151-I439 HydrophobicContact CG2-CG2 3.86Å; V151-Q440 PolarHBondContact O-NE2 3.02Å; V151-R446 PolarHBondContact O-N 2.9Å
152	T	96.6	Very high	93.1	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	24%	0.239	C	C	.	.	S	Bend	trans	-127.3	170.3	179.2	64.4	0	0	0	0	111.7	W148 S149 L154 I439	W148-T152 WeakPolarHBondContact O-CG2 3.35Å; W148-T152 PolarHBondContact O-N 3.07Å; W148-T152 PolarHBondContact O-OG1 3.32Å; S149-T152 VanDerWaalsContact O-O 3.07Å; T152-L154 PolarHBondContact O-N 3.17Å; T152-L154 WeakPolarHBondContact OG1-CB 3.42Å; T152-L154 WeakPolarHBondContact OG1-CG 3.48Å; T152-L154 PolarHBondContact OG1-N 3.01Å; T152-I439 HydrophobicContact CG2-CB 4.28Å; T152-I439 HydrophobicContact CG2-CG1 3.65Å; T152-I439 HydrophobicContact CG2-CG2 3.76Å
153	P	96.7	Very high	92.3	Very high	39 Å²	39	45.9 Å²	45.9	25%	0.253	25%	0.246	S	C	.	.	S	Bend	trans	-75.5	0.7	167.6	-12.7	28.4	0	0	0	114.2	Y443 G444	P153-Y443 WeakPolarHBondContact CD-O 3.48Å; P153-G444 WeakPolarHBondContact CD-O 3.42Å
154	L	96.9	Very high	92.1	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.016	23%	0.233	C	C	.	.			trans	-66.1	143.2	-178	-63.1	178	0	0	0	111.6	H119 I121 S149 T152 F156 L407 Y443	H119-L154 HydrophobicContact CB-CD2 4.34Å; H119-L154 CarbonylContact O-C 3.55Å; H119-L154 WeakPolarHBondContact O-CA 3.28Å; I121-L154 HydrophobicContact CG1-CD2 4.22Å; S149-L154 WeakPolarHBondContact CB-O 3.07Å; T152-L154 PolarHBondContact O-N 3.17Å; T152-L154 WeakPolarHBondContact OG1-CB 3.42Å; T152-L154 WeakPolarHBondContact OG1-CG 3.48Å; T152-L154 PolarHBondContact OG1-N 3.01Å; L154-F156 HydrophobicContact CB-CE2 4.09Å; L154-F156 HydrophobicContact CB-CZ 4.09Å; L154-F156 HydrophobicContact CD1-CZ 4.14Å; L154-L407 HydrophobicContact CD1-CD1 4.17Å; L154-L407 HydrophobicContact CD1-CD2 3.7Å; L154-Y443 HydrophobicContact CD1-CD1 4.12Å; L154-Y443 HydrophobicContact CD1-CD2 3.87Å; L154-Y443 HydrophobicContact CD1-CE1 4.27Å; L154-Y443 HydrophobicContact CD1-CE2 4.05Å; L154-Y443 HydrophobicContact CD1-CG 3.9Å; L154-Y443 HydrophobicContact CD2-CD1 3.61Å; L154-Y443 HydrophobicContact CD2-CE1 3.93Å; L154-Y443 HydrophobicContact CD2-CG 4.08Å; L154-Y443 HydrophobicContact CG-CD1 4.11Å; L154-Y443 HydrophobicContact CG-CG 4.06Å
155	T	97.2	Very high	92	Very high	73 Å²	73	43.3 Å²	43.3	45%	0.448	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.3	169.9	61	0	0	0	0	109.3	H119 N120 I121	H119-T155 PolarHBondContact O-N 2.77Å; N120-T155 CarbonylContact C-O 3.45Å; N120-T155 WeakPolarHBondContact CA-O 3.25Å; N120-T155 WeakPolarHBondContact CA-OG1 3.31Å; N120-T155 WeakPolarHBondContact CB-OG1 3.46Å; N120-T155 PolarHBondContact OD1-O 2.82Å; N120-T155 PolarHBondContact OD1-OG1 2.88Å; N120-T155 VanDerWaalsContact OD1-OG1 3.07Å; I121-T155 PolarHBondContact N-O 3.17Å
156	F	97.7	Very high	92	Very high	36 Å²	36	43.1 Å²	43.1	16%	0.158	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.1	-178.6	-61.5	-82.6	0	0	0	110.2	I121 Y123 F145 W148 L154 L407	I121-F156 HydrophobicContact CB-CD1 3.81Å; I121-F156 HydrophobicContact CB-CE1 3.83Å; I121-F156 HydrophobicContact CG1-CE1 4.12Å; I121-F156 HydrophobicContact CG2-CD1 4.23Å; I121-F156 HydrophobicContact CG2-CE1 4.16Å; I121-F156 CarbonylContact O-C 3.42Å; I121-F156 VanDerWaalsContact O-CA 3.25Å; I121-F156 WeakPolarHBondContact O-CA 3.37Å; Y123-F156 HydrophobicContact CD1-CB 4.28Å; Y123-F156 HydrophobicContact CE1-CB 4.28Å; F145-F156 HydrophobicContact CB-CB 3.95Å; F145-F156 HydrophobicContact CB-CD1 4.23Å; F145-F156 HydrophobicContact CB-CD2 3.67Å; F145-F156 HydrophobicContact CB-CE2 4.22Å; F145-F156 HydrophobicContact CB-CG 3.67Å; F145-F156 HydrophobicContact CD1-CB 4.37Å; F145-F156 AromaticContact CD1-CD1 3.26Å; F145-F156 HydrophobicContact CD1-CD1 3.26Å; F145-F156 HydrophobicContact CD1-CD2 4.11Å; F145-F156 AromaticContact CD1-CE1 3.4Å; F145-F156 HydrophobicContact CD1-CE1 3.4Å; F145-F156 HydrophobicContact CD1-CE2 4.21Å; F145-F156 AromaticContact CD1-CG 3.64Å; F145-F156 HydrophobicContact CD1-CG 3.64Å; F145-F156 AromaticContact CD1-CZ 3.89Å; F145-F156 HydrophobicContact CD1-CZ 3.89Å; F145-F156 AromaticContact CE1-CD1 3.7Å; F145-F156 HydrophobicContact CE1-CD1 3.7Å; F145-F156 AromaticContact CE1-CE1 3.79Å; F145-F156 HydrophobicContact CE1-CE1 3.79Å; F145-F156 HydrophobicContact CE1-CG 4.45Å; F145-F156 HydrophobicContact CG-CB 4.06Å; F145-F156 AromaticContact CG-CD1 3.83Å; F145-F156 HydrophobicContact CG-CD1 3.83Å; F145-F156 HydrophobicContact CG-CD2 4.19Å; F145-F156 HydrophobicContact CG-CE1 4.33Å; F145-F156 AromaticContact CG-CG 3.75Å; F145-F156 HydrophobicContact CG-CG 3.75Å; F145-F156 WeakPolarHBondContact O-CD2 3.42Å; F145-F156 VanDerWaalsContact O-CE2 3.31Å; F145-F156 WeakPolarHBondContact O-CE2 3.1Å; W148-F156 HydrophobicContact CB-CE2 4.17Å; W148-F156 HydrophobicContact CB-CZ 4.2Å; L154-F156 HydrophobicContact CB-CE2 4.09Å; L154-F156 HydrophobicContact CB-CZ 4.09Å; L154-F156 HydrophobicContact CD1-CZ 4.14Å; F156-L407 HydrophobicContact CE1-CD1 4.45Å; F156-L407 HydrophobicContact CE1-CD2 4.01Å; F156-L407 HydrophobicContact CZ-CD1 3.93Å; F156-L407 HydrophobicContact CZ-CD2 4.09Å
157	T	96.3	Very high	91.8	Very high	59 Å²	59	41.1 Å²	41.1	36%	0.362	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119	-179.4	-58.5	0	0	0	0	109.9	N120 I121 T122 Y123 V159	N120-T157 PolarHBondContact OD1-OG1 3.31Å; I121-T157 PolarHBondContact O-N 2.74Å; T122-T157 CarbonylContact C-O 3.56Å; T122-T157 VanDerWaalsContact CA-O 3.23Å; T122-T157 WeakPolarHBondContact CA-O 3.2Å; Y123-T157 PolarHBondContact N-O 3.02Å; T157-V159 HydrophobicContact CG2-CG1 4.46Å; T157-V159 PolarHBondContact O-N 3.3Å
158	R	92.4	Very high	91.9	Very high	60 Å²	60	39.7 Å²	39.7	23%	0.226	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	128.2	173.5	-169	175	175.6	-167.4	-2.6	110.2	Y123 Y128 E138	Y123-R158 HydrophobicContact CD1-CB 4.46Å; Y123-R158 HydrophobicContact CD2-CG 4.4Å; Y123-R158 HydrophobicContact CE1-CB 3.81Å; Y123-R158 HydrophobicContact CE1-CG 4.49Å; Y123-R158 HydrophobicContact CE2-CB 4.08Å; Y123-R158 HydrophobicContact CE2-CG 3.88Å; Y123-R158 CarbonylContact O-C 3.51Å; Y123-R158 WeakPolarHBondContact O-CA 3.37Å; Y128-R158 PolarHBondContact OH-NH2 3.43Å; E138-R158 VanDerWaalsContact CD-NH2 3.3Å; E138-R158 IonicContact OE1-CZ 3.92Å; E138-R158 IonicContact OE1-NH1 3.74Å; E138-R158 PolarHBondContact OE1-NH1 3.23Å; E138-R158 IonicContact OE1-NH2 3.76Å; E138-R158 PolarHBondContact OE1-NH2 2.84Å; E138-R158 IonicContact OE2-CZ 2.97Å; E138-R158 IonicContact OE2-NH1 2.81Å; E138-R158 PolarHBondContact OE2-NH1 3.13Å; E138-R158 IonicContact OE2-NH2 2.72Å
159	V	90.5	Very high	91.5	Very high	38 Å²	38	40.5 Å²	40.5	23%	0.23	22%	0.218	C	C	.	.			trans	-122.8	172.2	172.5	-58.8	0	0	0	0	109.8	T122 Y123 W124 T157 A164	T122-V159 HydrophobicContact CG2-CG1 3.92Å; Y123-V159 PolarHBondContact O-N 3.5Å; W124-V159 HydrophobicContact CB-CG2 4.39Å; W124-V159 VanDerWaalsContact CD1-O 3.22Å; T157-V159 HydrophobicContact CG2-CG1 4.46Å; T157-V159 PolarHBondContact O-N 3.3Å; V159-A164 HydrophobicContact CG2-CB 3.56Å
160	Y	83.1	Confident	91.1	Very high	173 Å²	173	39.2 Å²	39.2	68%	0.678	21%	0.209	S	C	*	.	S	Bend	trans	-122.4	49.7	-178.3	-58.7	-85.5	0	0	0	110.3
161	S	77.6	Confident	90.3	Very high	44 Å²	44	37 Å²	37	31%	0.308	19%	0.192	S	C	.	.	S	Bend	trans	-146.2	151.6	-177.2	-177	0	0	0	0	110	W124 D163 A164	W124-S161 VanDerWaalsContact CB-O 3.24Å; W124-S161 WeakPolarHBondContact CB-O 3.39Å; S161-D163 PolarHBondContact O-N 2.95Å; S161-D163 PolarHBondContact OG-N 3.14Å; S161-A164 WeakPolarHBondContact O-CB 3.47Å; S161-A164 PolarHBondContact O-N 3.18Å
162	R	68.8	Low	89.4	Confident	55 Å²	55	36.6 Å²	36.6	21%	0.208	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-10.1	171.4	-44.5	-172.1	-66.2	-79.5	12	113	W124 A164 L563 P564 R565	W124-R162 HydrophobicContact CE3-CB 4.46Å; W124-R162 HydrophobicContact CE3-CG 4.17Å; W124-R162 HydrophobicContact CH2-CG 4.02Å; W124-R162 HydrophobicContact CZ3-CB 4.21Å; W124-R162 HydrophobicContact CZ3-CG 3.53Å; R162-A164 PolarHBondContact O-N 3.44Å; R162-L563 PolarHBondContact NH1-O 3.16Å; R162-L563 PolarHBondContact NH2-O 3.19Å; R162-L563 VanDerWaalsContact NH2-O 3.08Å; R162-P564 PolarHBondContact NH2-O 3.16Å; R162-R565 VanDerWaalsContact CZ-N 3.3Å; R162-R565 VanDerWaalsContact NE-N 3.2Å
163	D	78.1	Confident	88.6	Confident	89 Å²	89	38.7 Å²	38.7	48%	0.476	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	8.7	177.4	-54.2	-10.6	0	0	0	111.3	S161 R565	S161-D163 PolarHBondContact O-N 2.95Å; S161-D163 PolarHBondContact OG-N 3.14Å; D163-R565 IonicContact OD1-CZ 3.62Å; D163-R565 IonicContact OD1-NE 2.9Å; D163-R565 PolarHBondContact OD1-NE 3.48Å; D163-R565 IonicContact OD1-NH2 3.07Å; D163-R565 PolarHBondContact OD1-NH2 2.8Å; D163-R565 IonicContact OD2-CZ 2.72Å; D163-R565 IonicContact OD2-NH2 3.62Å; D163-R565 PolarHBondContact OD2-NH2 2.95Å
164	A	90.4	Very high	87.8	Confident	10 Å²	10	40.4 Å²	40.4	8%	0.083	21%	0.211	C	C	.	.	S	Bend	trans	-61.3	150.3	167.9	0	0	0	0	0	109.6	T122 W124 V159 S161 R162 I166	T122-A164 WeakPolarHBondContact OG1-CA 3.45Å; W124-A164 HydrophobicContact CB-CB 3.82Å; V159-A164 HydrophobicContact CG2-CB 3.56Å; S161-A164 WeakPolarHBondContact O-CB 3.47Å; S161-A164 PolarHBondContact O-N 3.18Å; R162-A164 PolarHBondContact O-N 3.44Å; A164-I166 PolarHBondContact O-N 2.57Å
165	D	96.1	Very high	86.8	Confident	30 Å²	30	41.2 Å²	41.2	16%	0.16	22%	0.215	C	C	.	.	S	Bend	trans	-66.1	-28.3	173.4	-57.9	-66.6	0	0	0	111.8	W116 H118 I121 T122	W116-D165 HydrophobicContact CH2-CB 3.82Å; W116-D165 VanDerWaalsContact CH2-O 3.31Å; W116-D165 WeakPolarHBondContact CH2-O 3.31Å; W116-D165 HydrophobicContact CZ2-CB 3.9Å; W116-D165 WeakPolarHBondContact CZ2-O 3.17Å; W116-D165 HydrophobicContact CZ3-CB 4.18Å; H118-D165 IonicContact CD2-OD2 3.92Å; H118-D165 IonicContact CE1-OD1 3.2Å; H118-D165 PolarHBondContact CE1-OD1 2.97Å; H118-D165 IonicContact NE2-OD1 2.84Å; H118-D165 PolarHBondContact NE2-OD1 3.19Å; H118-D165 IonicContact NE2-OD2 3.38Å; H118-D165 PolarHBondContact NE2-OD2 3.41Å; I121-D165 WeakPolarHBondContact CA-OD2 3.38Å; I121-D165 HydrophobicContact CG2-CB 3.69Å; T122-D165 PolarHBondContact N-OD2 3.22Å; T122-D165 WeakPolarHBondContact O-CB 3.24Å; T122-D165 PolarHBondContact O-N 3.48Å; T122-D165 PolarHBondContact OG1-N 3.01Å; T122-D165 PolarHBondContact OG1-OD2 3.25Å
166	I	97.1	Very high	85.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	111.7	178.9	-61.1	174.9	0	0	0	109.3	I121 T122 Y123 W124 F145 A164 I168 G200 A406	I121-I166 HydrophobicContact CG2-CD1 3.79Å; I121-I166 HydrophobicContact CG2-CG1 4.1Å; T122-I166 PolarHBondContact O-N 2.92Å; Y123-I166 CarbonylContact C-O 3.56Å; Y123-I166 WeakPolarHBondContact CA-O 3.46Å; W124-I166 PolarHBondContact N-O 3Å; F145-I166 HydrophobicContact CE1-CD1 3.76Å; F145-I166 HydrophobicContact CZ-CD1 4.1Å; F145-I166 HydrophobicContact CZ-CG2 4.22Å; A164-I166 PolarHBondContact O-N 2.57Å; I166-I168 HydrophobicContact CG2-CG1 4.11Å; I166-G200 WeakPolarHBondContact CG1-O 3.41Å; I166-G200 WeakPolarHBondContact CG2-O 3.48Å; I166-A406 HydrophobicContact CD1-CB 3.79Å; I166-A406 HydrophobicContact CG1-CB 4.13Å
167	V	92.6	Very high	84.4	Confident	7 Å²	7	40.3 Å²	40.3	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.3	168.9	-174.6	0	0	0	0	109.8	W124 Q126 D201 A202	W124-V167 HydrophobicContact CE3-CG1 3.68Å; W124-V167 HydrophobicContact CE3-CG2 4.2Å; W124-V167 HydrophobicContact CZ3-CG1 3.96Å; Q126-V167 HydrophobicContact CB-CG1 3.86Å; V167-D201 WeakPolarHBondContact CA-OD1 3.39Å; V167-D201 WeakPolarHBondContact CB-OD1 3.41Å; V167-D201 WeakPolarHBondContact CG2-OD1 3.41Å; V167-D201 PolarHBondContact N-OD1 3.3Å; V167-D201 VanDerWaalsContact O-CA 3.31Å; V167-D201 WeakPolarHBondContact O-CA 3.5Å; V167-D201 WeakPolarHBondContact O-CB 3.21Å; V167-A202 PolarHBondContact O-N 2.8Å
168	I	96.3	Very high	83.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.9	-179.3	-60	164.3	0	0	0	109.1	Y123 W124 I125 Q126 F141 F145 I166 A202 F204 F403	Y123-I168 HydrophobicContact CD2-CD1 3.88Å; W124-I168 PolarHBondContact O-N 3.49Å; I125-I168 HydrophobicContact CG1-CD1 4.24Å; Q126-I168 WeakPolarHBondContact CB-O 3.41Å; Q126-I168 PolarHBondContact N-O 3.29Å; F141-I168 HydrophobicContact CB-CD1 4.47Å; F141-I168 HydrophobicContact CD2-CD1 4.09Å; F141-I168 HydrophobicContact CD2-CG2 4.28Å; F141-I168 HydrophobicContact CE1-CG2 4.2Å; F141-I168 HydrophobicContact CE2-CD1 4.44Å; F141-I168 HydrophobicContact CE2-CG2 3.56Å; F141-I168 HydrophobicContact CG-CD1 4.2Å; F141-I168 HydrophobicContact CZ-CG2 3.51Å; F145-I168 HydrophobicContact CE2-CD1 4.11Å; F145-I168 HydrophobicContact CZ-CD1 4.38Å; I166-I168 HydrophobicContact CG2-CG1 4.11Å; I168-A202 WeakPolarHBondContact CA-O 3.48Å; I168-F204 HydrophobicContact CG2-CD2 3.99Å; I168-F204 HydrophobicContact CG2-CE2 3.63Å; I168-F403 HydrophobicContact CD1-CE1 3.82Å; I168-F403 HydrophobicContact CD1-CZ 3.54Å; I168-F403 HydrophobicContact CG1-CE1 3.95Å; I168-F403 HydrophobicContact CG1-CZ 4.18Å
169	Q	90	Very high	82.2	Confident	18 Å²	18	42.1 Å²	42.1	8%	0.084	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	141.7	-177.6	-178.4	-178.8	-26.2	0	0	112	N127 A202 H203 F204	N127-Q169 VanDerWaalsContact OD1-CA 3.3Å; N127-Q169 WeakPolarHBondContact OD1-CA 3.45Å; N127-Q169 WeakPolarHBondContact OD1-CG 3.35Å; Q169-A202 PolarHBondContact N-O 3.25Å; Q169-H203 CarbonylContact O-C 3.31Å; Q169-H203 VanDerWaalsContact O-CA 3.23Å; Q169-H203 WeakPolarHBondContact O-CA 3.19Å; Q169-F204 PolarHBondContact O-N 3.33Å
170	F	87.1	Confident	81.5	Confident	3 Å²	3	42.8 Å²	42.8	1%	0.013	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	131	163.3	-66	-94.1	0	0	0	109.3	N127 I137 F141 F204 D206 W210 L395	N127-F170 PolarHBondContact ND2-O 2.95Å; N127-F170 WeakPolarHBondContact O-CD2 3.36Å; N127-F170 PolarHBondContact OD1-N 3.43Å; I137-F170 HydrophobicContact CG2-CE2 4.32Å; I137-F170 HydrophobicContact CG2-CZ 4.36Å; F141-F170 HydrophobicContact CE2-CE2 4.09Å; F141-F170 HydrophobicContact CE2-CZ 4.29Å; F141-F170 AromaticContact CZ-CE2 3.83Å; F141-F170 HydrophobicContact CZ-CE2 3.83Å; F141-F170 AromaticContact CZ-CZ 3.66Å; F141-F170 HydrophobicContact CZ-CZ 3.66Å; F170-F204 CarbonylContact C-O 3.57Å; F170-F204 VanDerWaalsContact CA-O 3.31Å; F170-F204 WeakPolarHBondContact CA-O 3.44Å; F170-F204 HydrophobicContact CD1-CB 3.61Å; F170-F204 HydrophobicContact CD1-CG 4.48Å; F170-F204 HydrophobicContact CE1-CB 3.77Å; F170-F204 HydrophobicContact CE1-CG 4.23Å; F170-F204 HydrophobicContact CG-CB 4.28Å; F170-D206 HydrophobicContact CB-CB 4.05Å; F170-W210 AromaticContact CD1-CD1 3.95Å; F170-W210 AromaticContact CD1-NE1 3.68Å; F170-W210 AromaticContact CE1-CD1 3.72Å; F170-W210 HydrophobicContact CE1-CD2 4.23Å; F170-W210 HydrophobicContact CE1-CG 4.04Å; F170-W210 AromaticContact CE1-NE1 3.68Å; F170-L395 HydrophobicContact CE1-CD1 3.95Å; F170-L395 HydrophobicContact CZ-CD1 3.88Å; F170-L395 HydrophobicContact CZ-CD2 4.07Å
171	G	79.6	Confident	81.4	Confident	8 Å²	8	35 Å²	35	8%	0.082	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	160.7	-176.1	0	0	0	0	0	111.6	F181 F204 D205 D206	G171-F181 WeakPolarHBondContact O-CD2 3.14Å; G171-F204 PolarHBondContact N-O 3.13Å; G171-D205 CarbonylContact O-C 3.52Å; G171-D205 WeakPolarHBondContact O-CA 3.32Å; G171-D206 PolarHBondContact O-N 3.19Å
172	V	76.7	Confident	81.4	Confident	23 Å²	23	34.9 Å²	34.9	14%	0.139	21%	0.211	C	C	.	.			trans	-124.7	143.7	175.3	-59.4	0	0	0	0	109.5	E174 D206 D207 R600	V172-E174 CarbonylContact O-C 3.5Å; V172-E174 PolarHBondContact O-N 3.38Å; V172-D206 HydrophobicContact CG1-CB 3.76Å; V172-D207 HydrophobicContact CG1-CB 4.46Å; V172-R600 VanDerWaalsContact CG2-NH1 3.33Å
173	A	79.5	Confident	81.9	Confident	45 Å²	45	32.9 Å²	32.9	37%	0.372	21%	0.208	S	C	.	.	S	Bend	trans	42.5	-126.2	-178.5	0	0	0	0	0	111.7	H175 P180 F181	A173-H175 PolarHBondContact O-N 2.88Å; A173-H175 PolarHBondContact O-ND1 3.27Å; A173-P180 CarbonylContact O-C 3.49Å; A173-P180 VanDerWaalsContact O-CA 3.23Å; A173-P180 WeakPolarHBondContact O-CA 3.27Å; A173-F181 WeakPolarHBondContact CA-O 3.47Å; A173-F181 PolarHBondContact O-N 3.25Å
174	E	79.1	Confident	82	Confident	75 Å²	75	29.8 Å²	29.8	35%	0.35	19%	0.19	S	C	.	.	S	Bend	trans	-71.7	116.4	170.8	179	53.6	-120.3	0	0	111.4	V172 G176 D177 G178 P180	V172-E174 CarbonylContact O-C 3.5Å; V172-E174 PolarHBondContact O-N 3.38Å; E174-G176 PolarHBondContact OE1-N 2.84Å; E174-D177 PolarHBondContact OE1-N 2.82Å; E174-G178 PolarHBondContact OE1-N 3.45Å; E174-G178 VanDerWaalsContact OE1-N 3.16Å; E174-G178 WeakPolarHBondContact OE2-CA 3.43Å; E174-P180 HydrophobicContact CB-CB 4.19Å
175	H	76.2	Confident	81.7	Confident	19 Å²	19	30 Å²	30	9%	0.088	19%	0.19	C	C	.	.			trans	-124.5	14.7	-170.2	54.8	-85.5	0	0	0	114.6	A173 D177 Y179 F181 H190 H203	A173-H175 PolarHBondContact O-N 2.88Å; A173-H175 PolarHBondContact O-ND1 3.27Å; H175-D177 IonicContact CD2-OD1 3.74Å; H175-D177 IonicContact CD2-OD2 3.25Å; H175-D177 IonicContact CE1-OD1 2.62Å; H175-D177 IonicContact NE2-OD1 2.87Å; H175-D177 IonicContact NE2-OD2 3.97Å; H175-D177 PolarHBondContact NE2-OD2 3.23Å; H175-Y179 PolarHBondContact CE1-O 2.84Å; H175-F181 AromaticContact CE1-CD2 3.33Å; H175-F181 WeakPolarHBondContact CE1-CD2 3.45Å; H175-F181 AromaticContact CE1-CE2 3.18Å; H175-F181 WeakPolarHBondContact CE1-CE2 3.45Å; H175-F181 AromaticContact CE1-CG 3.87Å; H175-F181 AromaticContact CE1-CZ 3.61Å; H175-F181 AromaticContact ND1-CD2 3.36Å; H175-F181 WeakPolarHBondContact ND1-CD2 3.46Å; H175-F181 AromaticContact ND1-CE2 3.54Å; H175-F181 AromaticContact NE2-CE2 3.53Å; H175-F181 AromaticContact NE2-CZ 3.8Å; H175-H190 AromaticContact CE1-CE1 3.47Å; H175-H190 PolarHBondContact CE1-CE1 2.65Å; H175-H190 VanDerWaalsContact CE1-CE1 3.47Å; H175-H190 AromaticContact CE1-NE2 3.89Å; H175-H190 AromaticContact NE2-CE1 3.33Å; H175-H190 PolarHBondContact NE2-CE1 2.77Å; H175-H190 VanDerWaalsContact NE2-CE1 3.33Å; H175-H190 AromaticContact NE2-NE2 3.27Å; H175-H190 PolarHBondContact NE2-NE2 3.42Å; H175-H203 AromaticContact CD2-CG 3.89Å; H175-H203 AromaticContact CD2-ND1 3.36Å; H175-H203 PolarHBondContact CD2-ND1 2.85Å; H175-H203 AromaticContact NE2-CG 3.76Å; H175-H203 AromaticContact NE2-ND1 3.24Å; H175-H203 PolarHBondContact NE2-ND1 3.3Å
176	G	71.8	Confident	81.3	Confident	64 Å²	64	29.5 Å²	29.5	66%	0.66	19%	0.192	S	C	*	.	S	Bend	trans	113.1	6.3	164.9	0	0	0	0	0	115.3	E174	E174-G176 PolarHBondContact OE1-N 2.84Å
177	D	72.3	Confident	80.9	Confident	26 Å²	26	29.9 Å²	29.9	14%	0.139	19%	0.194	C	C	.	.	S	Bend	trans	-122	-3.2	-177.8	64.7	5	0	0	0	113.6	E174 H175 Y179 H190 F192 I198 H203	E174-D177 PolarHBondContact OE1-N 2.82Å; H175-D177 IonicContact CD2-OD1 3.74Å; H175-D177 IonicContact CD2-OD2 3.25Å; H175-D177 IonicContact CE1-OD1 2.62Å; H175-D177 IonicContact NE2-OD1 2.87Å; H175-D177 IonicContact NE2-OD2 3.97Å; H175-D177 PolarHBondContact NE2-OD2 3.23Å; D177-Y179 VanDerWaalsContact C-N 3.3Å; D177-Y179 VanDerWaalsContact O-CD2 3.3Å; D177-Y179 WeakPolarHBondContact O-CD2 2.98Å; D177-Y179 PolarHBondContact OD1-N 2.92Å; D177-H190 IonicContact OD2-CD2 3.25Å; D177-H190 IonicContact OD2-CE1 3.78Å; D177-H190 PolarHBondContact OD2-CE1 2.85Å; D177-H190 IonicContact OD2-NE2 3.07Å; D177-H190 PolarHBondContact OD2-NE2 2.92Å; D177-F192 HydrophobicContact CB-CE2 4.36Å; D177-F192 HydrophobicContact CB-CZ 3.98Å; D177-I198 HydrophobicContact CB-CD1 3.49Å; D177-I198 VanDerWaalsContact CB-CD1 3.49Å; D177-H203 IonicContact OD2-CE1 2.72Å; D177-H203 PolarHBondContact OD2-CE1 3.01Å; D177-H203 VanDerWaalsContact OD2-CE1 3.23Å; D177-H203 IonicContact OD2-ND1 2.92Å; D177-H203 PolarHBondContact OD2-ND1 3.42Å
178	G	71	Confident	81	Confident	51 Å²	51	29.7 Å²	29.7	53%	0.526	19%	0.193	S	C	.	.	S	Bend	trans	80.3	6.3	-178.9	0	0	0	0	0	114.7	E174 P180	E174-G178 PolarHBondContact OE1-N 3.45Å; E174-G178 VanDerWaalsContact OE1-N 3.16Å; E174-G178 WeakPolarHBondContact OE2-CA 3.43Å; G178-P180 VanDerWaalsContact O-CD 3.3Å; G178-P180 WeakPolarHBondContact O-CD 3.33Å
179	Y	72.3	Confident	81	Confident	107 Å²	107	29.7 Å²	29.7	42%	0.42	19%	0.193	S	C	.	.			trans	-114.9	78.6	176.9	-65.5	-81.8	0	0	0	109.8	F110 H175 D177 F181 H190 F192	F110-Y179 AromaticContact CE1-CE1 3.94Å; F110-Y179 HydrophobicContact CE1-CE1 3.94Å; F110-Y179 AromaticContact CE1-CE2 3.73Å; F110-Y179 HydrophobicContact CE1-CE2 3.73Å; F110-Y179 AromaticContact CE1-CZ 3.34Å; F110-Y179 WeakPolarHBondContact CE1-OH 3.12Å; F110-Y179 HydrophobicContact CZ-CE1 4.06Å; F110-Y179 AromaticContact CZ-CZ 3.92Å; H175-Y179 PolarHBondContact CE1-O 2.84Å; D177-Y179 VanDerWaalsContact C-N 3.3Å; D177-Y179 VanDerWaalsContact O-CD2 3.3Å; D177-Y179 WeakPolarHBondContact O-CD2 2.98Å; D177-Y179 PolarHBondContact OD1-N 2.92Å; Y179-F181 PolarHBondContact O-N 2.93Å; Y179-H190 PolarHBondContact O-CE1 3.15Å; Y179-H190 VanDerWaalsContact O-CE1 3.28Å; Y179-F192 HydrophobicContact CD2-CE1 4.13Å; Y179-F192 HydrophobicContact CD2-CZ 4.02Å; Y179-F192 HydrophobicContact CE2-CE1 4.09Å; Y179-F192 HydrophobicContact CE2-CZ 4.4Å
180	P	75.3	Confident	81.2	Confident	52 Å²	52	29.5 Å²	29.5	34%	0.338	19%	0.192	S	C	.	.			trans	-68.8	136.5	-172.1	27.3	-35.5	0	0	0	112.4	R51 A173 E174 G178	R51-P180 PolarHBondContact NH2-O 2.91Å; R51-P180 VanDerWaalsContact NH2-O 3.14Å; A173-P180 CarbonylContact O-C 3.49Å; A173-P180 VanDerWaalsContact O-CA 3.23Å; A173-P180 WeakPolarHBondContact O-CA 3.27Å; E174-P180 HydrophobicContact CB-CB 4.19Å; G178-P180 VanDerWaalsContact O-CD 3.3Å; G178-P180 WeakPolarHBondContact O-CD 3.33Å
181	F	82.7	Confident	81.5	Confident	8 Å²	8	29.7 Å²	29.7	4%	0.035	19%	0.194	C	C	.	.			trans	-65.3	169.6	163.9	-67.3	-52.2	0	0	0	111.5	G171 A173 H175 Y179 L187 H190 H203 D205	G171-F181 WeakPolarHBondContact O-CD2 3.14Å; A173-F181 WeakPolarHBondContact CA-O 3.47Å; A173-F181 PolarHBondContact O-N 3.25Å; H175-F181 AromaticContact CE1-CD2 3.33Å; H175-F181 WeakPolarHBondContact CE1-CD2 3.45Å; H175-F181 AromaticContact CE1-CE2 3.18Å; H175-F181 WeakPolarHBondContact CE1-CE2 3.45Å; H175-F181 AromaticContact CE1-CG 3.87Å; H175-F181 AromaticContact CE1-CZ 3.61Å; H175-F181 AromaticContact ND1-CD2 3.36Å; H175-F181 WeakPolarHBondContact ND1-CD2 3.46Å; H175-F181 AromaticContact ND1-CE2 3.54Å; H175-F181 AromaticContact NE2-CE2 3.53Å; H175-F181 AromaticContact NE2-CZ 3.8Å; Y179-F181 PolarHBondContact O-N 2.93Å; F181-L187 HydrophobicContact CD1-CB 4.22Å; F181-H190 AromaticContact CE1-ND1 3.88Å; F181-H203 HydrophobicContact CE2-CB 4.31Å; F181-H203 HydrophobicContact CZ-CB 3.94Å; F181-D205 HydrophobicContact CB-CB 4.14Å; F181-D205 WeakPolarHBondContact CB-OD2 3.49Å; F181-D205 HydrophobicContact CD1-CB 3.83Å; F181-D205 HydrophobicContact CD2-CB 3.77Å; F181-D205 HydrophobicContact CE1-CB 4.18Å; F181-D205 HydrophobicContact CE2-CB 4.1Å; F181-D205 HydrophobicContact CG-CB 3.65Å; F181-D205 HydrophobicContact CZ-CB 4.32Å
182	D	77.3	Confident	81.8	Confident	42 Å²	42	29.8 Å²	29.8	23%	0.225	19%	0.192	C	C	.	.			trans	-117	6.3	-171.7	68.2	-25.3	0	0	0	113.7	K36 L187	K36-D182 VanDerWaalsContact CE-CB 3.49Å; K36-D182 WeakPolarHBondContact CE-O 2.92Å; K36-D182 WeakPolarHBondContact CE-OD2 3.46Å; K36-D182 VanDerWaalsContact NZ-C 3.3Å; K36-D182 VanDerWaalsContact NZ-CB 3.27Å; K36-D182 PolarHBondContact NZ-O 2.87Å; K36-D182 IonicContact NZ-OD1 3.87Å; K36-D182 PolarHBondContact NZ-OD1 3.33Å; K36-D182 IonicContact NZ-OD2 3.79Å; K36-D182 PolarHBondContact NZ-OD2 3.4Å; D182-L187 HydrophobicContact CB-CD1 4.21Å; D182-L187 WeakPolarHBondContact OD1-CB 3.49Å; D182-L187 WeakPolarHBondContact OD1-CD1 3.28Å; D182-L187 PolarHBondContact OD1-N 3.02Å; D182-L187 VanDerWaalsContact OD2-CD1 3.3Å; D182-L187 WeakPolarHBondContact OD2-CD1 3.49Å
183	G	78.3	Confident	82.1	Confident	13 Å²	13	28.9 Å²	28.9	13%	0.134	19%	0.187	C	C	.	.	S	Bend	trans	79.3	179.4	-177.3	0	0	0	0	0	111.2	K36 D185 D205	K36-G183 PolarHBondContact NZ-O 2.77Å; G183-D185 PolarHBondContact O-N 2.8Å; G183-D205 PolarHBondContact N-OD2 2.94Å
184	K	79.7	Confident	82.6	Confident	25 Å²	25	26.7 Å²	26.7	11%	0.109	17%	0.169	C	C	.	.	S	Bend	trans	-38.2	130.3	-171.1	179.9	161.3	173.3	50.2	0	115.6	D207 I338 F387 D390	K184-D207 WeakPolarHBondContact CB-O 3.29Å; K184-I338 HydrophobicContact CD-CB 4.28Å; K184-I338 HydrophobicContact CD-CG2 3.85Å; K184-F387 HydrophobicContact CD-CB 4.25Å; K184-F387 HydrophobicContact CD-CD2 4.02Å; K184-F387 HydrophobicContact CD-CG 4.29Å; K184-D390 WeakPolarHBondContact CE-OD2 3Å; K184-D390 IonicContact NZ-OD1 2.79Å; K184-D390 IonicContact NZ-OD2 3.23Å; K184-D390 PolarHBondContact NZ-OD2 3Å
185	D	84.4	Confident	82.9	Confident	13 Å²	13	23.5 Å²	23.5	7%	0.07	16%	0.156	C	C	.	.	S	Bend	trans	56.2	169.4	-171.4	-45.9	-45.2	0	0	0	113.5	K36 P97 G183 E208 Y370 Y393	K36-D185 PolarHBondContact NZ-O 2.86Å; P97-D185 HydrophobicContact CG-CB 4.44Å; G183-D185 PolarHBondContact O-N 2.8Å; D185-E208 WeakPolarHBondContact CA-OE1 3.27Å; D185-E208 PolarHBondContact N-OE1 3.34Å; D185-E208 PolarHBondContact N-OE2 2.81Å; D185-Y370 WeakPolarHBondContact OD2-CE1 3.41Å; D185-Y370 PolarHBondContact OD2-OH 2.87Å; D185-Y393 VanDerWaalsContact CG-OH 3.31Å; D185-Y393 PolarHBondContact OD1-OH 3.48Å
186	G	87.7	Confident	83	Confident	21 Å²	21	27.4 Å²	27.4	22%	0.216	18%	0.184	C	C	.	.	S	Bend	trans	93.8	-106.8	-175.8	0	0	0	0	0	110.1	P97 R98	P97-G186 CarbonylContact C-O 3.44Å; P97-G186 WeakPolarHBondContact CA-O 3.02Å; R98-G186 PolarHBondContact N-O 2.9Å
187	L	88.4	Confident	83.6	Confident	8 Å²	8	27.8 Å²	27.8	4%	0.042	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-85.4	112.5	-179.6	-75.1	80.4	0	0	0	110.3	Y52 F181 D182 D205	Y52-L187 WeakPolarHBondContact OH-CD1 3.19Å; F181-L187 HydrophobicContact CD1-CB 4.22Å; D182-L187 HydrophobicContact CB-CD1 4.21Å; D182-L187 WeakPolarHBondContact OD1-CB 3.49Å; D182-L187 WeakPolarHBondContact OD1-CD1 3.28Å; D182-L187 PolarHBondContact OD1-N 3.02Å; D182-L187 VanDerWaalsContact OD2-CD1 3.3Å; D182-L187 WeakPolarHBondContact OD2-CD1 3.49Å; L187-D205 WeakPolarHBondContact O-CB 3.3Å
188	L	95.1	Very high	84	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.016	19%	0.194	C	C	.	.			trans	-83.3	-38.8	-177.2	-58.8	-175.6	0	0	0	113.3	P97 R98 D205 E208 W210 Y393 V398 Y423	P97-L188 HydrophobicContact CB-CD1 4.13Å; P97-L188 HydrophobicContact CB-CD2 3.93Å; P97-L188 HydrophobicContact CB-CG 4.1Å; R98-L188 PolarHBondContact O-N 3.48Å; L188-D205 PolarHBondContact O-N 2.81Å; L188-E208 HydrophobicContact CD2-CG 4.02Å; L188-E208 VanDerWaalsContact CD2-OE1 3.3Å; L188-E208 WeakPolarHBondContact CD2-OE1 3.2Å; L188-W210 HydrophobicContact CB-CH2 4.36Å; L188-W210 WeakPolarHBondContact O-CH2 2.99Å; L188-W210 VanDerWaalsContact O-CZ2 3.32Å; L188-W210 WeakPolarHBondContact O-CZ2 3.28Å; L188-Y393 HydrophobicContact CD1-CD1 3.51Å; L188-Y393 HydrophobicContact CD1-CE1 3.93Å; L188-Y393 HydrophobicContact CD1-CG 3.93Å; L188-Y393 HydrophobicContact CD2-CD1 3.74Å; L188-Y393 HydrophobicContact CD2-CD2 3.62Å; L188-Y393 HydrophobicContact CD2-CE1 3.69Å; L188-Y393 HydrophobicContact CD2-CE2 3.57Å; L188-Y393 HydrophobicContact CD2-CG 3.7Å; L188-Y393 HydrophobicContact CG-CD1 4.29Å; L188-Y393 HydrophobicContact CG-CE1 4.45Å; L188-Y393 HydrophobicContact CG-CG 4.46Å; L188-V398 HydrophobicContact CB-CG1 4.32Å; L188-V398 HydrophobicContact CD1-CG2 4Å; L188-Y423 HydrophobicContact CD1-CD2 3.93Å; L188-Y423 HydrophobicContact CD1-CG 3.76Å
189	A	96.9	Very high	84.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	166.9	-172.4	0	0	0	0	0	109.8	G100 H203 F204 V398 E402	G100-A189 PolarHBondContact N-O 2.82Å; A189-H203 CarbonylContact C-O 3.52Å; A189-H203 WeakPolarHBondContact CA-O 3.47Å; A189-H203 WeakPolarHBondContact CB-O 3.37Å; A189-F204 HydrophobicContact CB-CD1 3.94Å; A189-F204 HydrophobicContact CB-CE1 4.36Å; A189-F204 HydrophobicContact CB-CG 4.35Å; A189-V398 HydrophobicContact CB-CG1 3.54Å; A189-E402 HydrophobicContact CB-CG 3.56Å
190	H	93.7	Very high	85.5	Confident	13 Å²	13	23 Å²	23	6%	0.06	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	162.2	163.8	59.7	-135.6	0	0	0	110.7	V101 H175 D177 Y179 F181 H203 E402	V101-H190 HydrophobicContact CG2-CB 4.07Å; H175-H190 AromaticContact CE1-CE1 3.47Å; H175-H190 PolarHBondContact CE1-CE1 2.65Å; H175-H190 VanDerWaalsContact CE1-CE1 3.47Å; H175-H190 AromaticContact CE1-NE2 3.89Å; H175-H190 AromaticContact NE2-CE1 3.33Å; H175-H190 PolarHBondContact NE2-CE1 2.77Å; H175-H190 VanDerWaalsContact NE2-CE1 3.33Å; H175-H190 AromaticContact NE2-NE2 3.27Å; H175-H190 PolarHBondContact NE2-NE2 3.42Å; D177-H190 IonicContact OD2-CD2 3.25Å; D177-H190 IonicContact OD2-CE1 3.78Å; D177-H190 PolarHBondContact OD2-CE1 2.85Å; D177-H190 IonicContact OD2-NE2 3.07Å; D177-H190 PolarHBondContact OD2-NE2 2.92Å; Y179-H190 PolarHBondContact O-CE1 3.15Å; Y179-H190 VanDerWaalsContact O-CE1 3.28Å; F181-H190 AromaticContact CE1-ND1 3.88Å; H190-H203 AromaticContact CD2-ND1 3.95Å; H190-H203 PolarHBondContact N-O 3.33Å; H190-H203 AromaticContact NE2-CG 3.86Å; H190-H203 AromaticContact NE2-ND1 3.35Å; H190-H203 PolarHBondContact NE2-ND1 3.19Å; H190-H203 PolarHBondContact O-N 2.8Å; H190-E402 WeakPolarHBondContact CA-OE2 3.43Å
191	A	92.9	Very high	86.3	Confident	7 Å²	7	21.4 Å²	21.4	6%	0.058	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	156.1	171.6	0	0	0	0	0	112.1	D201 A202 E402 H405	A191-D201 CarbonylContact C-O 3.51Å; A191-D201 WeakPolarHBondContact CA-O 3.26Å; A191-D201 WeakPolarHBondContact CB-O 3.38Å; A191-A202 HydrophobicContact CB-CB 3.95Å; A191-E402 HydrophobicContact CB-CB 3.98Å; A191-E402 VanDerWaalsContact CB-O 3.3Å; A191-E402 WeakPolarHBondContact CB-O 3.38Å; A191-E402 PolarHBondContact N-OE2 3.32Å; A191-H405 HydrophobicContact CB-CB 3.94Å
192	F	86.3	Confident	87	Confident	10 Å²	10	21 Å²	21	4%	0.044	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-95.5	151.4	179.4	-65	-85	0	0	0	111.9	F110 D177 Y179 I198 G200 D201 H203 A406	F110-F192 HydrophobicContact CD1-CD1 4.11Å; F110-F192 HydrophobicContact CD1-CE1 4.16Å; F110-F192 HydrophobicContact CE1-CD1 4.32Å; F110-F192 HydrophobicContact CE1-CE1 4.04Å; D177-F192 HydrophobicContact CB-CE2 4.36Å; D177-F192 HydrophobicContact CB-CZ 3.98Å; Y179-F192 HydrophobicContact CD2-CE1 4.13Å; Y179-F192 HydrophobicContact CD2-CZ 4.02Å; Y179-F192 HydrophobicContact CE2-CE1 4.09Å; Y179-F192 HydrophobicContact CE2-CZ 4.4Å; F192-I198 WeakPolarHBondContact CB-O 3.32Å; F192-I198 HydrophobicContact CD2-CD1 4.25Å; F192-I198 HydrophobicContact CD2-CG1 3.84Å; F192-I198 WeakPolarHBondContact CD2-O 3.16Å; F192-I198 HydrophobicContact CE2-CD1 3.64Å; F192-I198 HydrophobicContact CE2-CG1 3.74Å; F192-I198 HydrophobicContact CG-CG1 4.49Å; F192-I198 HydrophobicContact CZ-CD1 3.87Å; F192-I198 HydrophobicContact CZ-CG1 4.33Å; F192-G200 WeakPolarHBondContact O-CA 3.41Å; F192-G200 PolarHBondContact O-N 2.94Å; F192-D201 HydrophobicContact CD2-CB 4.29Å; F192-D201 PolarHBondContact N-O 2.82Å; F192-H203 AromaticContact CE2-CE1 3.93Å; F192-A406 WeakPolarHBondContact O-CA 3.3Å
193	P	84.3	Confident	87.8	Confident	4 Å²	4	19.3 Å²	19.3	3%	0.026	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-54.4	159.1	171.4	-0	-7.3	0	0	0	113.8	F107 F110 Q199 G200	F107-P193 HydrophobicContact CD1-CB 3.5Å; F107-P193 VanDerWaalsContact CD1-CB 3.5Å; F107-P193 HydrophobicContact CD1-CG 3.77Å; F107-P193 HydrophobicContact CE1-CB 3.41Å; F107-P193 VanDerWaalsContact CE1-CB 3.41Å; F107-P193 HydrophobicContact CE1-CG 3.81Å; F110-P193 HydrophobicContact CB-CG 4.02Å; P193-Q199 CarbonylContact O-C 3.6Å; P193-Q199 WeakPolarHBondContact O-CA 3.38Å; P193-Q199 WeakPolarHBondContact O-CB 3.42Å; P193-G200 PolarHBondContact O-N 3.48Å
194	P	89.4	Confident	88.7	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-48.9	143.1	167.3	-26.4	32.9	0	0	0	113.8	G112 D113 W116 A406	G112-P194 CarbonylContact C-O 3.48Å; G112-P194 WeakPolarHBondContact CA-O 3.3Å; D113-P194 PolarHBondContact N-O 2.82Å; W116-P194 HydrophobicContact CD2-CB 3.78Å; W116-P194 HydrophobicContact CE3-CB 4.33Å; W116-P194 HydrophobicContact CG-CB 4.01Å; W116-P194 HydrophobicContact CG-CG 4.45Å; W116-P194 HydrophobicContact CZ2-CB 4.11Å; P194-A406 WeakPolarHBondContact CG-O 3.4Å
195	G	84.6	Confident	89.3	Confident	8 Å²	8	17.5 Å²	17.5	8%	0.082	12%	0.121	C	C	.	.	S	Bend	trans	152.5	-173.1	177.6	0	0	0	0	0	113.5	W116 Q199	W116-G195 WeakPolarHBondContact CH2-O 3.14Å; W116-G195 WeakPolarHBondContact CZ3-O 3.49Å; G195-Q199 VanDerWaalsContact O-O 3.11Å
196	P	79.4	Confident	89.5	Confident	101 Å²	101	19.5 Å²	19.5	66%	0.656	13%	0.132	S	C	*	.	S	Bend	trans	-79.8	154.6	179.2	32.5	-34.4	0	0	0	112.7	I198 Q199	P196-I198 PolarHBondContact O-N 2.86Å; P196-Q199 WeakPolarHBondContact O-CB 3.35Å; P196-Q199 PolarHBondContact O-OE1 2.87Å
197	G	83.8	Confident	89.2	Confident	71 Å²	71	20.8 Å²	20.8	73%	0.732	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.5	-121.1	171.2	0	0	0	0	0	112.1	Q199	G197-Q199 VanDerWaalsContact C-N 3.27Å
198	I	80.1	Confident	89.2	Confident	57 Å²	57	20.5 Å²	20.5	29%	0.292	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.3	179	-162.7	173.2	0	0	0	112.2	D177 F192 P196 G200 D201	D177-I198 HydrophobicContact CB-CD1 3.49Å; D177-I198 VanDerWaalsContact CB-CD1 3.49Å; F192-I198 WeakPolarHBondContact CB-O 3.32Å; F192-I198 HydrophobicContact CD2-CD1 4.25Å; F192-I198 HydrophobicContact CD2-CG1 3.84Å; F192-I198 WeakPolarHBondContact CD2-O 3.16Å; F192-I198 HydrophobicContact CE2-CD1 3.64Å; F192-I198 HydrophobicContact CE2-CG1 3.74Å; F192-I198 HydrophobicContact CG-CG1 4.49Å; F192-I198 HydrophobicContact CZ-CD1 3.87Å; F192-I198 HydrophobicContact CZ-CG1 4.33Å; P196-I198 PolarHBondContact O-N 2.86Å; I198-G200 PolarHBondContact O-N 2.75Å; I198-D201 WeakPolarHBondContact CA-OD2 3.47Å; I198-D201 HydrophobicContact CG1-CB 4.16Å; I198-D201 VanDerWaalsContact O-CB 3.27Å; I198-D201 WeakPolarHBondContact O-CB 3.19Å; I198-D201 PolarHBondContact O-N 2.7Å; I198-D201 VanDerWaalsContact O-N 3.08Å
199	Q	85.4	Confident	88.8	Confident	27 Å²	27	20.4 Å²	20.4	13%	0.126	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	126.1	176.3	-81	61	84.9	0	0	109.8	E111 P193 G195 P196 G197	E111-Q199 WeakPolarHBondContact O-CG 3.37Å; P193-Q199 CarbonylContact O-C 3.6Å; P193-Q199 WeakPolarHBondContact O-CA 3.38Å; P193-Q199 WeakPolarHBondContact O-CB 3.42Å; G195-Q199 VanDerWaalsContact O-O 3.11Å; P196-Q199 WeakPolarHBondContact O-CB 3.35Å; P196-Q199 PolarHBondContact O-OE1 2.87Å; G197-Q199 VanDerWaalsContact C-N 3.27Å
200	G	89.1	Confident	88.5	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.3	-20.3	-172.2	0	0	0	0	0	113.5	I166 F192 P193 I198 A406	I166-G200 WeakPolarHBondContact CG1-O 3.41Å; I166-G200 WeakPolarHBondContact CG2-O 3.48Å; F192-G200 WeakPolarHBondContact O-CA 3.41Å; F192-G200 PolarHBondContact O-N 2.94Å; P193-G200 PolarHBondContact O-N 3.48Å; I198-G200 PolarHBondContact O-N 2.75Å; G200-A406 WeakPolarHBondContact O-CB 3.07Å
201	D	93.8	Very high	88.3	Confident	18 Å²	18	19.8 Å²	19.8	10%	0.096	13%	0.129	C	C	.	.			trans	-67	145.4	-176	-68	-9.1	0	0	0	111.7	V167 A191 F192 I198	V167-D201 WeakPolarHBondContact CA-OD1 3.39Å; V167-D201 WeakPolarHBondContact CB-OD1 3.41Å; V167-D201 WeakPolarHBondContact CG2-OD1 3.41Å; V167-D201 PolarHBondContact N-OD1 3.3Å; V167-D201 VanDerWaalsContact O-CA 3.31Å; V167-D201 WeakPolarHBondContact O-CA 3.5Å; V167-D201 WeakPolarHBondContact O-CB 3.21Å; A191-D201 CarbonylContact C-O 3.51Å; A191-D201 WeakPolarHBondContact CA-O 3.26Å; A191-D201 WeakPolarHBondContact CB-O 3.38Å; F192-D201 HydrophobicContact CD2-CB 4.29Å; F192-D201 PolarHBondContact N-O 2.82Å; I198-D201 WeakPolarHBondContact CA-OD2 3.47Å; I198-D201 HydrophobicContact CG1-CB 4.16Å; I198-D201 VanDerWaalsContact O-CB 3.27Å; I198-D201 WeakPolarHBondContact O-CB 3.19Å; I198-D201 PolarHBondContact O-N 2.7Å; I198-D201 VanDerWaalsContact O-N 3.08Å
202	A	96.9	Very high	88.1	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	119	-179.7	0	0	0	0	0	110	V167 I168 Q169 A191 F204 E402 F403	V167-A202 PolarHBondContact O-N 2.8Å; I168-A202 WeakPolarHBondContact CA-O 3.48Å; Q169-A202 PolarHBondContact N-O 3.25Å; A191-A202 HydrophobicContact CB-CB 3.95Å; A202-F204 HydrophobicContact CB-CE2 3.99Å; A202-E402 HydrophobicContact CB-CB 4.23Å; A202-F403 HydrophobicContact CB-CD1 4.24Å; A202-F403 HydrophobicContact CB-CE1 4.07Å
203	H	94	Very high	88	Confident	6 Å²	6	21.8 Å²	21.8	3%	0.028	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.7	-176.8	-58.9	166.8	0	0	0	110.8	Q169 H175 D177 F181 A189 H190 F192	Q169-H203 CarbonylContact O-C 3.31Å; Q169-H203 VanDerWaalsContact O-CA 3.23Å; Q169-H203 WeakPolarHBondContact O-CA 3.19Å; H175-H203 AromaticContact CD2-CG 3.89Å; H175-H203 AromaticContact CD2-ND1 3.36Å; H175-H203 PolarHBondContact CD2-ND1 2.85Å; H175-H203 AromaticContact NE2-CG 3.76Å; H175-H203 AromaticContact NE2-ND1 3.24Å; H175-H203 PolarHBondContact NE2-ND1 3.3Å; D177-H203 IonicContact OD2-CE1 2.72Å; D177-H203 PolarHBondContact OD2-CE1 3.01Å; D177-H203 VanDerWaalsContact OD2-CE1 3.23Å; D177-H203 IonicContact OD2-ND1 2.92Å; D177-H203 PolarHBondContact OD2-ND1 3.42Å; F181-H203 HydrophobicContact CE2-CB 4.31Å; F181-H203 HydrophobicContact CZ-CB 3.94Å; A189-H203 CarbonylContact C-O 3.52Å; A189-H203 WeakPolarHBondContact CA-O 3.47Å; A189-H203 WeakPolarHBondContact CB-O 3.37Å; H190-H203 AromaticContact CD2-ND1 3.95Å; H190-H203 PolarHBondContact N-O 3.33Å; H190-H203 AromaticContact NE2-CG 3.86Å; H190-H203 AromaticContact NE2-ND1 3.35Å; H190-H203 PolarHBondContact NE2-ND1 3.19Å; H190-H203 PolarHBondContact O-N 2.8Å; F192-H203 AromaticContact CE2-CE1 3.93Å
204	F	97.2	Very high	88	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.6	-176.6	-64.2	-97.5	0	0	0	109.3	F141 I168 Q169 F170 G171 A189 A202 D206 W210 L395 V398 A399 E402 F403	F141-F204 HydrophobicContact CE1-CE1 4.21Å; F141-F204 HydrophobicContact CE1-CE2 4.07Å; F141-F204 AromaticContact CE1-CZ 3.8Å; F141-F204 HydrophobicContact CE1-CZ 3.8Å; F141-F204 HydrophobicContact CZ-CE2 4.22Å; F141-F204 HydrophobicContact CZ-CZ 4.39Å; I168-F204 HydrophobicContact CG2-CD2 3.99Å; I168-F204 HydrophobicContact CG2-CE2 3.63Å; Q169-F204 PolarHBondContact O-N 3.33Å; F170-F204 CarbonylContact C-O 3.57Å; F170-F204 VanDerWaalsContact CA-O 3.31Å; F170-F204 WeakPolarHBondContact CA-O 3.44Å; F170-F204 HydrophobicContact CD1-CB 3.61Å; F170-F204 HydrophobicContact CD1-CG 4.48Å; F170-F204 HydrophobicContact CE1-CB 3.77Å; F170-F204 HydrophobicContact CE1-CG 4.23Å; F170-F204 HydrophobicContact CG-CB 4.28Å; G171-F204 PolarHBondContact N-O 3.13Å; A189-F204 HydrophobicContact CB-CD1 3.94Å; A189-F204 HydrophobicContact CB-CE1 4.36Å; A189-F204 HydrophobicContact CB-CG 4.35Å; A202-F204 HydrophobicContact CB-CE2 3.99Å; F204-D206 PolarHBondContact O-N 3.4Å; F204-W210 HydrophobicContact CB-CH2 4.31Å; F204-W210 HydrophobicContact CB-CZ2 3.66Å; F204-W210 AromaticContact CD1-CH2 3.76Å; F204-W210 HydrophobicContact CD1-CH2 3.76Å; F204-W210 AromaticContact CD1-CZ2 3.98Å; F204-W210 HydrophobicContact CD1-CZ2 3.98Å; F204-W210 HydrophobicContact CD1-CZ3 4.23Å; F204-W210 HydrophobicContact CG-CZ2 4.33Å; F204-L395 HydrophobicContact CD1-CD1 3.78Å; F204-L395 HydrophobicContact CE1-CD1 3.93Å; F204-L395 HydrophobicContact CG-CD1 4.44Å; F204-V398 HydrophobicContact CD1-CG1 4.18Å; F204-V398 HydrophobicContact CE1-CB 4.47Å; F204-V398 HydrophobicContact CE1-CG1 4.04Å; F204-A399 HydrophobicContact CE1-CB 3.82Å; F204-A399 HydrophobicContact CZ-CB 3.68Å; F204-E402 HydrophobicContact CE1-CG 4.38Å; F204-E402 HydrophobicContact CZ-CB 4.42Å; F204-E402 HydrophobicContact CZ-CG 4.4Å; F204-F403 HydrophobicContact CZ-CE1 4.45Å
205	D	92.6	Very high	87.7	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	115.8	178.8	-169.3	-0.5	0	0	0	110.5	G171 F181 G183 L187 L188 D207 E208 W210	G171-D205 CarbonylContact O-C 3.52Å; G171-D205 WeakPolarHBondContact O-CA 3.32Å; F181-D205 HydrophobicContact CB-CB 4.14Å; F181-D205 WeakPolarHBondContact CB-OD2 3.49Å; F181-D205 HydrophobicContact CD1-CB 3.83Å; F181-D205 HydrophobicContact CD2-CB 3.77Å; F181-D205 HydrophobicContact CE1-CB 4.18Å; F181-D205 HydrophobicContact CE2-CB 4.1Å; F181-D205 HydrophobicContact CG-CB 3.65Å; F181-D205 HydrophobicContact CZ-CB 4.32Å; G183-D205 PolarHBondContact N-OD2 2.94Å; L187-D205 WeakPolarHBondContact O-CB 3.3Å; L188-D205 PolarHBondContact O-N 2.81Å; D205-D207 VanDerWaalsContact C-N 3.28Å; D205-D207 WeakPolarHBondContact OD1-CB 3.29Å; D205-D207 PolarHBondContact OD1-N 3.01Å; D205-E208 HydrophobicContact CB-CG 3.93Å; D205-E208 WeakPolarHBondContact O-CB 3.33Å; D205-E208 PolarHBondContact O-N 3.4Å; D205-W210 WeakPolarHBondContact O-CZ2 3.33Å; D205-W210 PolarHBondContact O-NE1 3.23Å
206	D	88.3	Confident	87.6	Confident	56 Å²	56	28.9 Å²	28.9	30%	0.299	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	0.1	-178.4	-154.2	41.3	0	0	0	112.3	S129 F170 G171 V172 F204	S129-D206 WeakPolarHBondContact CA-OD1 3.41Å; S129-D206 WeakPolarHBondContact CB-OD1 3.23Å; S129-D206 PolarHBondContact OG-OD1 2.94Å; F170-D206 HydrophobicContact CB-CB 4.05Å; G171-D206 PolarHBondContact O-N 3.19Å; V172-D206 HydrophobicContact CG1-CB 3.76Å; F204-D206 PolarHBondContact O-N 3.4Å
207	D	81.9	Confident	87.7	Confident	48 Å²	48	26 Å²	26	26%	0.257	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.1	163.2	-80.4	-39.7	0	0	0	111.9	V172 K184 D205 I338	V172-D207 HydrophobicContact CG1-CB 4.46Å; K184-D207 WeakPolarHBondContact CB-O 3.29Å; D205-D207 VanDerWaalsContact C-N 3.28Å; D205-D207 WeakPolarHBondContact OD1-CB 3.29Å; D205-D207 PolarHBondContact OD1-N 3.01Å; D207-I338 WeakPolarHBondContact O-CG2 3.41Å
208	E	87.4	Confident	87.8	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.119	C	C	.	.	S	Bend	trans	-87	155.6	172.4	-60.4	-64.9	-172.1	0	0	113.1	D185 L188 D205 W210 Y393	D185-E208 WeakPolarHBondContact CA-OE1 3.27Å; D185-E208 PolarHBondContact N-OE1 3.34Å; D185-E208 PolarHBondContact N-OE2 2.81Å; L188-E208 HydrophobicContact CD2-CG 4.02Å; L188-E208 VanDerWaalsContact CD2-OE1 3.3Å; L188-E208 WeakPolarHBondContact CD2-OE1 3.2Å; D205-E208 HydrophobicContact CB-CG 3.93Å; D205-E208 WeakPolarHBondContact O-CB 3.33Å; D205-E208 PolarHBondContact O-N 3.4Å; E208-W210 HydrophobicContact CB-CZ2 4.28Å; E208-W210 PolarHBondContact O-N 2.89Å; E208-Y393 HydrophobicContact CB-CD2 4.08Å; E208-Y393 HydrophobicContact CB-CE2 4.44Å; E208-Y393 HydrophobicContact CG-CD2 4.3Å; E208-Y393 HydrophobicContact CG-CE2 4.4Å; E208-Y393 WeakPolarHBondContact OE2-CE2 3.5Å
209	L	87.6	Confident	88	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.123	C	C	.	.			trans	-84	103.2	167.7	178.1	60.2	0	0	0	110	D131 S211 V216 I338 P389 D390 G392 Y393	D131-L209 HydrophobicContact CB-CD1 4.07Å; D131-L209 WeakPolarHBondContact OD2-CA 3.27Å; L209-S211 PolarHBondContact O-N 3.47Å; L209-V216 HydrophobicContact CD1-CG2 4.19Å; L209-V216 HydrophobicContact CD2-CG2 4.04Å; L209-I338 HydrophobicContact CB-CD1 3.81Å; L209-I338 HydrophobicContact CB-CG1 4.44Å; L209-I338 HydrophobicContact CD1-CD1 4.09Å; L209-I338 HydrophobicContact CD2-CD1 4.03Å; L209-I338 HydrophobicContact CG-CD1 4.19Å; L209-P389 HydrophobicContact CD2-CB 3.76Å; L209-D390 WeakPolarHBondContact CD2-O 3.37Å; L209-G392 CarbonylContact O-C 3.51Å; L209-G392 WeakPolarHBondContact O-CA 3.4Å; L209-Y393 PolarHBondContact O-N 2.91Å
210	W	89.9	Confident	88.2	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	126.3	175	-67	102.5	0	0	0	111.3	D131 L132 F170 L188 F204 D205 E208 L395 V398	D131-W210 HydrophobicContact CB-CB 4.24Å; D131-W210 WeakPolarHBondContact CB-O 3.4Å; D131-W210 PolarHBondContact OD2-N 2.84Å; L132-W210 HydrophobicContact CD1-CB 4.11Å; L132-W210 WeakPolarHBondContact CG-O 3.35Å; F170-W210 AromaticContact CD1-CD1 3.95Å; F170-W210 AromaticContact CD1-NE1 3.68Å; F170-W210 AromaticContact CE1-CD1 3.72Å; F170-W210 HydrophobicContact CE1-CD2 4.23Å; F170-W210 HydrophobicContact CE1-CG 4.04Å; F170-W210 AromaticContact CE1-NE1 3.68Å; L188-W210 HydrophobicContact CB-CH2 4.36Å; L188-W210 WeakPolarHBondContact O-CH2 2.99Å; L188-W210 VanDerWaalsContact O-CZ2 3.32Å; L188-W210 WeakPolarHBondContact O-CZ2 3.28Å; F204-W210 HydrophobicContact CB-CH2 4.31Å; F204-W210 HydrophobicContact CB-CZ2 3.66Å; F204-W210 AromaticContact CD1-CH2 3.76Å; F204-W210 HydrophobicContact CD1-CH2 3.76Å; F204-W210 AromaticContact CD1-CZ2 3.98Å; F204-W210 HydrophobicContact CD1-CZ2 3.98Å; F204-W210 HydrophobicContact CD1-CZ3 4.23Å; F204-W210 HydrophobicContact CG-CZ2 4.33Å; D205-W210 WeakPolarHBondContact O-CZ2 3.33Å; D205-W210 PolarHBondContact O-NE1 3.23Å; E208-W210 HydrophobicContact CB-CZ2 4.28Å; E208-W210 PolarHBondContact O-N 2.89Å; W210-L395 HydrophobicContact CD2-CD1 3.9Å; W210-L395 HydrophobicContact CE3-CB 3.94Å; W210-L395 HydrophobicContact CE3-CD1 3.61Å; W210-L395 HydrophobicContact CE3-CG 4.39Å; W210-L395 HydrophobicContact CG-CD1 4.45Å; W210-L395 HydrophobicContact CZ3-CD1 4.04Å; W210-V398 HydrophobicContact CH2-CB 4.18Å; W210-V398 HydrophobicContact CH2-CG1 3.89Å; W210-V398 HydrophobicContact CH2-CG2 4.31Å; W210-V398 HydrophobicContact CZ3-CB 3.83Å; W210-V398 HydrophobicContact CZ3-CG1 4.07Å; W210-V398 HydrophobicContact CZ3-CG2 3.84Å
211	S	90.6	Very high	88.1	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	-171.6	-179.2	82.1	0	0	0	0	111.2	L209 G213 G215 Q391 Y393 S394 L395	L209-S211 PolarHBondContact O-N 3.47Å; S211-G213 VanDerWaalsContact C-N 3.27Å; S211-G213 WeakPolarHBondContact OG-CA 3.36Å; S211-G213 PolarHBondContact OG-N 3.46Å; S211-G215 WeakPolarHBondContact CB-O 3.38Å; S211-Q391 WeakPolarHBondContact CB-O 3.36Å; S211-Q391 PolarHBondContact OG-O 3.3Å; S211-Y393 CarbonylContact C-O 3.55Å; S211-Y393 PolarHBondContact N-O 2.86Å; S211-Y393 VanDerWaalsContact O-O 3.07Å; S211-Y393 PolarHBondContact OG-O 2.85Å; S211-S394 CarbonylContact O-C 3.47Å; S211-S394 WeakPolarHBondContact O-CA 3.37Å; S211-L395 PolarHBondContact O-N 2.96Å
212	L	87.3	Confident	87.8	Confident	57 Å²	57	31.3 Å²	31.3	30%	0.298	16%	0.159	S	C	.	.	S	Bend	trans	-96.4	19.6	164.8	-61.7	-179.7	0	0	0	111.8	V136 V217 F425	V136-L212 HydrophobicContact CG1-CD1 4.1Å; V136-L212 HydrophobicContact CG1-CD2 3.98Å; V136-L212 HydrophobicContact CG1-CG 4.22Å; L212-V217 HydrophobicContact CD1-CG2 4.2Å; L212-V217 HydrophobicContact CG-CG2 4.22Å; L212-F425 WeakPolarHBondContact O-CE2 3.49Å
213	G	85.5	Confident	87.4	Confident	3 Å²	3	33.2 Å²	33.2	3%	0.031	18%	0.178	C	C	.	.	S	Bend	trans	84.6	6.3	-178.7	0	0	0	0	0	115.4	S211 F425	S211-G213 VanDerWaalsContact C-N 3.27Å; S211-G213 WeakPolarHBondContact OG-CA 3.36Å; S211-G213 PolarHBondContact OG-N 3.46Å; G213-F425 VanDerWaalsContact CA-CE2 3.48Å
214	K	83.1	Confident	87.3	Confident	134 Å²	134	35.9 Å²	35.9	58%	0.583	19%	0.193	S	C	*	.	S	Bend	trans	-123.8	24.4	-179.2	-60.9	-173.9	179.9	-171.5	0	112.9	F425 E427	K214-F425 HydrophobicContact CG-CE1 4.31Å; K214-F425 HydrophobicContact CG-CZ 3.89Å; K214-E427 VanDerWaalsContact CE-CD 3.49Å; K214-E427 WeakPolarHBondContact CE-OE1 3.17Å; K214-E427 IonicContact NZ-OE1 3.95Å; K214-E427 PolarHBondContact NZ-OE1 3.45Å; K214-E427 IonicContact NZ-OE2 2.83Å; K214-E427 PolarHBondContact NZ-OE2 2.95Å; K214-E427 VanDerWaalsContact NZ-OE2 3.11Å
215	G	82.8	Confident	87	Confident	10 Å²	10	36 Å²	36	10%	0.103	19%	0.194	C	C	.	.	S	Bend	trans	83.1	-175.3	-173.2	0	0	0	0	0	113.4	S211 V217 D390 Q391	S211-G215 WeakPolarHBondContact CB-O 3.38Å; G215-V217 PolarHBondContact O-N 2.93Å; G215-D390 WeakPolarHBondContact CA-O 3.35Å; G215-Q391 WeakPolarHBondContact CA-O 3.41Å; G215-Q391 PolarHBondContact N-O 3.08Å
216	V	83.4	Confident	86.6	Confident	17 Å²	17	42.8 Å²	42.8	10%	0.103	23%	0.23	C	C	.	.			trans	-58.2	131.4	-174.1	-172.9	0	0	0	0	111.4	L209 V218 A333 D334 P389	L209-V216 HydrophobicContact CD1-CG2 4.19Å; L209-V216 HydrophobicContact CD2-CG2 4.04Å; V216-V218 HydrophobicContact CG1-CG2 3.77Å; V216-A333 HydrophobicContact CG1-CB 3.53Å; V216-D334 HydrophobicContact CG1-CB 4.45Å; V216-P389 HydrophobicContact CG2-CB 3.55Å; V216-P389 HydrophobicContact CG2-CG 4.29Å
217	V	81.6	Confident	86.4	Confident	41 Å²	41	42.2 Å²	42.2	25%	0.248	24%	0.237	C	C	.	.			trans	-94.1	105.2	173.9	-177.7	0	0	0	0	109.1	L132 L212 G215 P219 A229	L132-V217 HydrophobicContact CD2-CB 4.31Å; L132-V217 HydrophobicContact CD2-CG2 4.36Å; L212-V217 HydrophobicContact CD1-CG2 4.2Å; L212-V217 HydrophobicContact CG-CG2 4.22Å; G215-V217 PolarHBondContact O-N 2.93Å; V217-P219 VanDerWaalsContact O-CD 3.26Å; V217-P219 WeakPolarHBondContact O-CD 3.3Å; V217-A229 HydrophobicContact CG1-CB 4.38Å
218	V	86.2	Confident	86.7	Confident	5 Å²	5	42 Å²	42	3%	0.03	24%	0.242	C	C	.	.			trans	-105.2	99.5	176.6	-176.8	0	0	0	0	110	V216 T220 A229 C230 F232 C271 P272 D334	V216-V218 HydrophobicContact CG1-CG2 3.77Å; V218-T220 PolarHBondContact O-N 2.99Å; V218-A229 CarbonylContact O-C 3.52Å; V218-A229 VanDerWaalsContact O-CA 3.29Å; V218-A229 WeakPolarHBondContact O-CA 3.49Å; V218-C230 HydrophobicContact CB-CB 4.07Å; V218-C230 VanDerWaalsContact CB-SG 3.59Å; V218-C230 VanDerWaalsContact CG1-SG 3.57Å; V218-C230 PolarHBondContact O-N 3.41Å; V218-F232 HydrophobicContact CB-CE2 4.23Å; V218-F232 HydrophobicContact CG2-CE2 3.83Å; V218-F232 HydrophobicContact CG2-CZ 4.36Å; V218-C271 HydrophobicContact CG1-CB 4.16Å; V218-P272 VanDerWaalsContact CG1-CD 3.4Å; V218-P272 HydrophobicContact CG1-CG 4.22Å; V218-D334 HydrophobicContact CG2-CB 3.83Å
219	P	84.6	Confident	86.8	Confident	56 Å²	56	44.1 Å²	44.1	36%	0.364	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-69.2	127.3	174.5	28	-32.7	0	0	0	109.8	P133 V217	P133-P219 HydrophobicContact CG-CG 4.28Å; V217-P219 VanDerWaalsContact O-CD 3.26Å; V217-P219 WeakPolarHBondContact O-CD 3.3Å
220	T	89.5	Confident	86.9	Confident	7 Å²	7	44.7 Å²	44.7	4%	0.043	26%	0.264	C	S	.	.			trans	-78	149.4	178.5	64.2	0	0	0	0	111.7	V218 A228 C256 T258 F270	V218-T220 PolarHBondContact O-N 2.99Å; T220-A228 WeakPolarHBondContact CB-O 3.47Å; T220-A228 VanDerWaalsContact CG2-O 3.25Å; T220-A228 WeakPolarHBondContact CG2-O 3.31Å; T220-A228 PolarHBondContact N-O 2.88Å; T220-A228 PolarHBondContact OG1-O 2.97Å; T220-C256 WeakPolarHBondContact CG2-SG 2.94Å; T220-T258 HydrophobicContact CG2-CG2 3.9Å; T220-F270 CarbonylContact C-O 3.56Å; T220-F270 WeakPolarHBondContact CA-O 3.36Å
221	K	85.4	Confident	86.9	Confident	83 Å²	83	48.5 Å²	48.5	36%	0.361	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-114.5	147.5	166.6	-67.3	-158.8	-177.9	-178.4	0	110.3	F270 Y277	K221-F270 PolarHBondContact N-O 3.26Å; K221-F270 WeakPolarHBondContact O-CB 3.23Å; K221-F270 WeakPolarHBondContact O-CD2 3.36Å; K221-F270 PolarHBondContact O-N 3.4Å; K221-Y277 HydrophobicContact CD-CD1 3.86Å; K221-Y277 HydrophobicContact CD-CE1 3.5Å; K221-Y277 VanDerWaalsContact CE-CZ 3.43Å; K221-Y277 HydrophobicContact CG-CE1 4.39Å
222	F	87.2	Confident	86.7	Confident	133 Å²	133	51 Å²	51	58%	0.583	29%	0.292	S	S	*	.	S	Bend	trans	52.3	-151	-176.4	-41	-80.4	0	0	0	111.7	F270 L276	F222-F270 HydrophobicContact CB-CD2 3.89Å; F222-F270 HydrophobicContact CB-CE2 4.29Å; F222-L276 HydrophobicContact CD2-CD1 4.47Å; F222-L276 HydrophobicContact CD2-CD2 4.44Å; F222-L276 HydrophobicContact CE2-CB 4.35Å; F222-L276 HydrophobicContact CE2-CD2 4.28Å
223	G	89.1	Confident	86.8	Confident	39 Å²	39	51.8 Å²	51.8	40%	0.402	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	-161.7	-175.1	0	0	0	0	0	112
224	N	92.6	Very high	87	Confident	62 Å²	62	51.6 Å²	51.6	33%	0.332	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-0.6	179.1	66.3	6.9	0	0	0	112.6	D226 R266 R267 F268	N224-D226 PolarHBondContact O-N 3.4Å; N224-R266 PolarHBondContact ND2-O 2.64Å; N224-R267 PolarHBondContact O-NH1 2.71Å; N224-R267 PolarHBondContact O-NH2 3.05Å; N224-R267 WeakPolarHBondContact OD1-CA 2.84Å; N224-F268 PolarHBondContact N-O 3.16Å; N224-F268 PolarHBondContact OD1-N 2.74Å; N224-F268 PolarHBondContact OD1-O 2.92Å
225	A	90.3	Very high	87.5	Confident	2 Å²	2	47.4 Å²	47.4	2%	0.017	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	7	-172.9	0	0	0	0	0	116	G227 A228 T258 F268	A225-G227 PolarHBondContact O-N 3.37Å; A225-G227 VanDerWaalsContact O-N 3.12Å; A225-A228 HydrophobicContact CB-CB 4.29Å; A225-A228 VanDerWaalsContact O-CB 3.23Å; A225-A228 WeakPolarHBondContact O-CB 3.41Å; A225-A228 PolarHBondContact O-N 3.29Å; A225-T258 HydrophobicContact CB-CG2 3.35Å; A225-T258 WeakPolarHBondContact CB-OG1 3.23Å; A225-F268 VanDerWaalsContact CB-O 3.27Å; A225-F268 WeakPolarHBondContact CB-O 3.41Å; A225-F268 PolarHBondContact N-O 3.02Å; A225-F268 VanDerWaalsContact N-O 3.13Å
226	D	85.4	Confident	88.1	Confident	144 Å²	144	47.7 Å²	47.7	77%	0.77	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	32.2	175.1	-51.3	-59.6	0	0	0	114.4	N224 R267	N224-D226 PolarHBondContact O-N 3.4Å; D226-R267 IonicContact OD2-CZ 2.68Å; D226-R267 IonicContact OD2-NH1 2.66Å; D226-R267 IonicContact OD2-NH2 3.37Å; D226-R267 PolarHBondContact OD2-NH2 3.4Å
227	G	82.8	Confident	88.5	Confident	43 Å²	43	53.6 Å²	53.6	44%	0.443	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	8.7	-179.5	0	0	0	0	0	114.9	A225	A225-G227 PolarHBondContact O-N 3.37Å; A225-G227 VanDerWaalsContact O-N 3.12Å
228	A	88.6	Confident	88.8	Confident	43 Å²	43	54.8 Å²	54.8	36%	0.355	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-56.8	145.3	171.9	0	0	0	0	0	111.1	T220 A225 T258	T220-A228 WeakPolarHBondContact CB-O 3.47Å; T220-A228 VanDerWaalsContact CG2-O 3.25Å; T220-A228 WeakPolarHBondContact CG2-O 3.31Å; T220-A228 PolarHBondContact N-O 2.88Å; T220-A228 PolarHBondContact OG1-O 2.97Å; A225-A228 HydrophobicContact CB-CB 4.29Å; A225-A228 VanDerWaalsContact O-CB 3.23Å; A225-A228 WeakPolarHBondContact O-CB 3.41Å; A225-A228 PolarHBondContact O-N 3.29Å; A228-T258 HydrophobicContact CB-CG2 4.05Å
229	A	89.3	Confident	88.9	Confident	46 Å²	46	60.3 Å²	60.3	38%	0.38	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-69	153.9	177.7	0	0	0	0	0	111.4	V217 V218 T258	V217-A229 HydrophobicContact CG1-CB 4.38Å; V218-A229 CarbonylContact O-C 3.52Å; V218-A229 VanDerWaalsContact O-CA 3.29Å; V218-A229 WeakPolarHBondContact O-CA 3.49Å; A229-T258 WeakPolarHBondContact O-CB 3.47Å; A229-T258 WeakPolarHBondContact O-CG2 3.49Å
230	C	90.4	Very high	88.9	Confident	14 Å²	14	61.3 Å²	61.3	10%	0.095	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-56.4	141.7	171.1	-61.3	0	0	0	0	111.1	V218 F232 C256 C271	V218-C230 HydrophobicContact CB-CB 4.07Å; V218-C230 VanDerWaalsContact CB-SG 3.59Å; V218-C230 VanDerWaalsContact CG1-SG 3.57Å; V218-C230 PolarHBondContact O-N 3.41Å; C230-F232 HydrophobicContact CB-CD2 4.13Å; C230-F232 HydrophobicContact CB-CE1 4.06Å; C230-F232 HydrophobicContact CB-CE2 3.49Å; C230-F232 VanDerWaalsContact CB-CE2 3.49Å; C230-F232 HydrophobicContact CB-CZ 3.45Å; C230-F232 VanDerWaalsContact CB-CZ 3.45Å; C230-C256 WeakPolarHBondContact CA-SG 3.16Å; C230-C256 HydrophobicContact CB-CB 3.65Å; C230-C256 WeakPolarHBondContact CB-SG 3.36Å; C230-C256 WeakPolarHBondContact SG-CB 3.14Å; C230-C256 CovalentContact SG-SG 2.01Å; C230-C256 PolarHBondContact SG-SG 3.08Å; C230-C271 VanDerWaalsContact SG-SG 3.69Å
231	H	90.3	Very high	88.6	Confident	80 Å²	80	62.2 Å²	62.2	37%	0.37	36%	0.362	S	S	.	.			trans	-97.9	114	169.9	-176.7	-69.6	0	0	0	108.8	P233 F234 S257	H231-P233 PolarHBondContact CE1-O 3.15Å; H231-P233 PolarHBondContact ND1-O 2.91Å; H231-P233 CarbonylContact O-C 3.59Å; H231-F234 WeakPolarHBondContact O-CB 3.38Å; H231-F234 WeakPolarHBondContact O-CD1 3.42Å; H231-F234 PolarHBondContact O-N 3.06Å; H231-S257 PolarHBondContact N-O 3.2Å
232	F	86.1	Confident	88.4	Confident	51 Å²	51	62.1 Å²	62.1	22%	0.224	37%	0.371	C	S	.	.	S	Bend	trans	-112.1	135.5	174.7	-61.5	-57.7	0	0	0	111.3	V218 C230 F234 S242 A243 C256 D334	V218-F232 HydrophobicContact CB-CE2 4.23Å; V218-F232 HydrophobicContact CG2-CE2 3.83Å; V218-F232 HydrophobicContact CG2-CZ 4.36Å; C230-F232 HydrophobicContact CB-CD2 4.13Å; C230-F232 HydrophobicContact CB-CE1 4.06Å; C230-F232 HydrophobicContact CB-CE2 3.49Å; C230-F232 VanDerWaalsContact CB-CE2 3.49Å; C230-F232 HydrophobicContact CB-CZ 3.45Å; C230-F232 VanDerWaalsContact CB-CZ 3.45Å; F232-F234 HydrophobicContact CD1-CD1 4.07Å; F232-F234 HydrophobicContact CD1-CE1 4.28Å; F232-F234 HydrophobicContact CE1-CD1 4.18Å; F232-F234 AromaticContact CE1-CE1 3.96Å; F232-F234 HydrophobicContact CE1-CE1 3.96Å; F232-S242 VanDerWaalsContact CD1-C 3.42Å; F232-A243 VanDerWaalsContact CE1-CA 3.46Å; F232-C256 HydrophobicContact CE1-CB 4.25Å; F232-C256 HydrophobicContact CZ-CB 4.35Å; F232-D334 HydrophobicContact CE2-CB 4.22Å; F232-D334 HydrophobicContact CZ-CB 4.26Å
233	P	87.7	Confident	88.2	Confident	74 Å²	74	56.7 Å²	56.7	48%	0.481	35%	0.351	S	S	.	.	S	Bend	cis	-71.2	158.3	-12.5	31.4	-34.3	0	0	0	112.2	H231 S240 Y241	H231-P233 PolarHBondContact CE1-O 3.15Å; H231-P233 PolarHBondContact ND1-O 2.91Å; H231-P233 CarbonylContact O-C 3.59Å; P233-S240 WeakPolarHBondContact CB-OG 3.1Å; P233-Y241 CarbonylContact C-O 3.51Å; P233-Y241 WeakPolarHBondContact CA-O 3.26Å
234	F	91.7	Very high	88.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.8	166.8	70.3	-87.4	0	0	0	112.2	H231 F232 F236 S240 Y241 T245 W255 C256 T259 A260	H231-F234 WeakPolarHBondContact O-CB 3.38Å; H231-F234 WeakPolarHBondContact O-CD1 3.42Å; H231-F234 PolarHBondContact O-N 3.06Å; F232-F234 HydrophobicContact CD1-CD1 4.07Å; F232-F234 HydrophobicContact CD1-CE1 4.28Å; F232-F234 HydrophobicContact CE1-CD1 4.18Å; F232-F234 AromaticContact CE1-CE1 3.96Å; F232-F234 HydrophobicContact CE1-CE1 3.96Å; F234-F236 HydrophobicContact CD2-CB 4.33Å; F234-F236 HydrophobicContact CE2-CB 3.98Å; F234-S240 WeakPolarHBondContact O-CA 3.3Å; F234-Y241 HydrophobicContact CE2-CD2 4.03Å; F234-Y241 HydrophobicContact CE2-CG 4.32Å; F234-Y241 HydrophobicContact CZ-CD2 4.26Å; F234-Y241 HydrophobicContact CZ-CG 4.07Å; F234-Y241 PolarHBondContact N-O 2.83Å; F234-Y241 PolarHBondContact O-N 3.29Å; F234-T245 HydrophobicContact CZ-CG2 4.04Å; F234-W255 HydrophobicContact CE2-CH2 4.06Å; F234-W255 HydrophobicContact CE2-CZ3 4.1Å; F234-C256 HydrophobicContact CD1-CB 4.5Å; F234-C256 HydrophobicContact CE1-CB 3.83Å; F234-C256 HydrophobicContact CZ-CB 4.31Å; F234-T259 WeakPolarHBondContact CB-O 3.42Å; F234-A260 WeakPolarHBondContact CA-O 3.32Å
235	T	92.6	Very high	88	Confident	45 Å²	45	53.2 Å²	53.2	28%	0.276	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131	176.7	-55.4	0	0	0	0	111.4	R239 A260 Y262	T235-R239 CarbonylContact C-O 3.55Å; T235-R239 WeakPolarHBondContact CA-O 3.27Å; T235-A260 PolarHBondContact N-O 2.79Å; T235-Y262 WeakPolarHBondContact O-CB 3.04Å; T235-Y262 PolarHBondContact O-N 3.36Å
236	F	94.6	Very high	87.9	Confident	16 Å²	16	56.1 Å²	56.1	7%	0.07	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	128.3	169.5	170.2	-116.3	0	0	0	109.9	F234 G238 R239 Y241 D247 W255 Y262 D263	F234-F236 HydrophobicContact CD2-CB 4.33Å; F234-F236 HydrophobicContact CE2-CB 3.98Å; F236-G238 PolarHBondContact O-N 3.06Å; F236-R239 PolarHBondContact N-O 3.5Å; F236-R239 PolarHBondContact O-N 3.21Å; F236-Y241 HydrophobicContact CB-CD2 4.12Å; F236-Y241 HydrophobicContact CB-CE2 3.8Å; F236-Y241 HydrophobicContact CD1-CE2 4.07Å; F236-Y241 HydrophobicContact CG-CE2 4.44Å; F236-D247 HydrophobicContact CD1-CB 4.35Å; F236-D247 HydrophobicContact CE1-CB 4.08Å; F236-W255 HydrophobicContact CB-CH2 4.13Å; F236-W255 HydrophobicContact CB-CZ2 4.46Å; F236-W255 HydrophobicContact CD1-CH2 4.24Å; F236-W255 AromaticContact CD1-CZ2 3.75Å; F236-W255 HydrophobicContact CD1-CZ2 3.75Å; F236-W255 AromaticContact CD2-CH2 3.76Å; F236-W255 HydrophobicContact CD2-CH2 3.76Å; F236-W255 AromaticContact CD2-CZ2 3.92Å; F236-W255 HydrophobicContact CD2-CZ2 3.92Å; F236-W255 AromaticContact CE1-CZ2 3.88Å; F236-W255 HydrophobicContact CE1-CZ2 3.88Å; F236-W255 HydrophobicContact CE2-CH2 4.18Å; F236-W255 HydrophobicContact CE2-CZ2 4.02Å; F236-W255 AromaticContact CG-CH2 3.77Å; F236-W255 HydrophobicContact CG-CH2 3.77Å; F236-W255 AromaticContact CG-CZ2 3.77Å; F236-W255 HydrophobicContact CG-CZ2 3.77Å; F236-W255 HydrophobicContact CZ-CZ2 4Å; F236-Y262 AromaticContact CD2-CD1 3.5Å; F236-Y262 HydrophobicContact CD2-CD1 3.5Å; F236-Y262 VanDerWaalsContact CD2-CD1 3.5Å; F236-Y262 AromaticContact CD2-CE1 3.87Å; F236-Y262 HydrophobicContact CD2-CE1 3.87Å; F236-Y262 HydrophobicContact CD2-CG 4.41Å; F236-Y262 HydrophobicContact CE2-CD1 4.02Å; F236-Y262 AromaticContact CE2-CE1 3.9Å; F236-Y262 HydrophobicContact CE2-CE1 3.9Å; F236-Y262 HydrophobicContact CG-CD1 4.48Å; F236-D263 WeakPolarHBondContact CA-OD1 3.47Å
237	E	92.8	Very high	88	Confident	142 Å²	142	51.8 Å²	51.8	66%	0.664	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	38.7	-175	-64.4	-173.7	166.2	0	0	113.1	R239 D263	E237-R239 PolarHBondContact O-N 3.29Å; E237-D263 VanDerWaalsContact N-CG 3.34Å; E237-D263 PolarHBondContact N-OD1 3.17Å; E237-D263 PolarHBondContact N-OD2 2.78Å
238	G	88.5	Confident	88.2	Confident	66 Å²	66	53 Å²	53	68%	0.68	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	7	-178	0	0	0	0	0	115.6	F236 D263	F236-G238 PolarHBondContact O-N 3.06Å; G238-D263 PolarHBondContact N-OD2 3.4Å
239	R	86.5	Confident	88.1	Confident	121 Å²	121	55.5 Å²	55.5	46%	0.457	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	141.7	174.3	-60.3	176.6	73.9	-166.2	-0.7	110	T235 F236 E237 Y241 D247	T235-R239 CarbonylContact C-O 3.55Å; T235-R239 WeakPolarHBondContact CA-O 3.27Å; F236-R239 PolarHBondContact N-O 3.5Å; F236-R239 PolarHBondContact O-N 3.21Å; E237-R239 PolarHBondContact O-N 3.29Å; R239-Y241 HydrophobicContact CB-CE2 3.74Å; R239-Y241 WeakPolarHBondContact O-CD2 3.35Å; R239-Y241 WeakPolarHBondContact O-CE2 3.46Å; R239-D247 IonicContact NH1-OD2 3.23Å; R239-D247 PolarHBondContact NH1-OD2 3.06Å
240	S	85.4	Confident	87.9	Confident	77 Å²	77	59.6 Å²	59.6	54%	0.538	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.9	178.1	-177.2	0	0	0	0	110.4	P233 F234	P233-S240 WeakPolarHBondContact CB-OG 3.1Å; F234-S240 WeakPolarHBondContact O-CA 3.3Å
241	Y	82.9	Confident	87.6	Confident	26 Å²	26	62 Å²	62	10%	0.102	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.8	-179.7	-64	-93.2	0	0	0	110	P233 F234 F236 R239 T245 D247	P233-Y241 CarbonylContact C-O 3.51Å; P233-Y241 WeakPolarHBondContact CA-O 3.26Å; F234-Y241 HydrophobicContact CE2-CD2 4.03Å; F234-Y241 HydrophobicContact CE2-CG 4.32Å; F234-Y241 HydrophobicContact CZ-CD2 4.26Å; F234-Y241 HydrophobicContact CZ-CG 4.07Å; F234-Y241 PolarHBondContact N-O 2.83Å; F234-Y241 PolarHBondContact O-N 3.29Å; F236-Y241 HydrophobicContact CB-CD2 4.12Å; F236-Y241 HydrophobicContact CB-CE2 3.8Å; F236-Y241 HydrophobicContact CD1-CE2 4.07Å; F236-Y241 HydrophobicContact CG-CE2 4.44Å; R239-Y241 HydrophobicContact CB-CE2 3.74Å; R239-Y241 WeakPolarHBondContact O-CD2 3.35Å; R239-Y241 WeakPolarHBondContact O-CE2 3.46Å; Y241-T245 HydrophobicContact CD1-CG2 3.91Å; Y241-T245 HydrophobicContact CE1-CG2 3.98Å; Y241-T245 VanDerWaalsContact CE1-OG1 3.29Å; Y241-T245 WeakPolarHBondContact CE1-OG1 3.33Å; Y241-T245 HydrophobicContact CG-CG2 4.31Å; Y241-D247 HydrophobicContact CE1-CB 4.36Å; Y241-D247 WeakPolarHBondContact CE1-OD2 3.41Å; Y241-D247 PolarHBondContact OH-OD2 3.16Å
242	S	80.8	Confident	87.1	Confident	80 Å²	80	59.5 Å²	59.5	56%	0.559	37%	0.366	S	S	*	.	S	Bend	trans	-101.6	5.4	175.3	59.1	0	0	0	0	113.2	F232	F232-S242 VanDerWaalsContact CD1-C 3.42Å
243	A	84.4	Confident	87.2	Confident	19 Å²	19	57.6 Å²	57.6	16%	0.157	36%	0.358	C	S	.	.	S	Bend	trans	-149.6	169.2	-179.9	0	0	0	0	0	109.1	F232 D334	F232-A243 VanDerWaalsContact CE1-CA 3.46Å; A243-D334 HydrophobicContact CB-CB 4.22Å; A243-D334 WeakPolarHBondContact CB-O 3.48Å
244	C	88.3	Confident	87.4	Confident	16 Å²	16	54.3 Å²	54.3	11%	0.108	34%	0.337	C	S	.	.			trans	-64	142.1	175.6	-64.2	0	0	0	0	111.2	P254 W255 C271 D334	C244-P254 HydrophobicContact CB-CB 4.03Å; C244-W255 WeakPolarHBondContact CA-O 3.33Å; C244-C271 HydrophobicContact CB-CB 3.6Å; C244-C271 WeakPolarHBondContact CB-SG 3.33Å; C244-C271 WeakPolarHBondContact SG-CB 3.46Å; C244-C271 CovalentContact SG-SG 2.01Å; C244-C271 PolarHBondContact SG-SG 3.07Å; C244-D334 VanDerWaalsContact CB-OD2 3.27Å; C244-D334 WeakPolarHBondContact CB-OD2 3.27Å; C244-D334 PolarHBondContact N-OD2 3.25Å; C244-D334 PolarHBondContact SG-OD2 2.88Å
245	T	87.7	Confident	87.5	Confident	13 Å²	13	54.8 Å²	54.8	8%	0.08	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-125.6	152.4	-174.8	-171.1	0	0	0	0	111.6	F234 Y241 D247 P254 W255	F234-T245 HydrophobicContact CZ-CG2 4.04Å; Y241-T245 HydrophobicContact CD1-CG2 3.91Å; Y241-T245 HydrophobicContact CE1-CG2 3.98Å; Y241-T245 VanDerWaalsContact CE1-OG1 3.29Å; Y241-T245 WeakPolarHBondContact CE1-OG1 3.33Å; Y241-T245 HydrophobicContact CG-CG2 4.31Å; T245-D247 HydrophobicContact CG2-CB 4.3Å; T245-D247 WeakPolarHBondContact OG1-CB 3.48Å; T245-D247 PolarHBondContact OG1-N 3.26Å; T245-D247 VanDerWaalsContact OG1-N 3.07Å; T245-P254 CarbonylContact O-C 3.58Å; T245-P254 WeakPolarHBondContact O-CA 3.14Å; T245-W255 HydrophobicContact CG2-CZ2 4.28Å; T245-W255 PolarHBondContact N-O 2.88Å; T245-W255 PolarHBondContact O-N 3Å
246	T	89.2	Confident	87.6	Confident	63 Å²	63	52.6 Å²	52.6	39%	0.387	33%	0.325	S	S	.	.			trans	-98.6	-0.3	167.2	53.8	0	0	0	0	112	R249 P254	T246-R249 WeakPolarHBondContact O-CB 3.47Å; T246-R249 PolarHBondContact O-N 3.43Å; T246-P254 HydrophobicContact CG2-CB 4.34Å
247	D	87.9	Confident	87.6	Confident	53 Å²	53	51.9 Å²	51.9	28%	0.283	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	141.8	-179.6	-74.8	2.3	0	0	0	110.7	F236 R239 Y241 T245 R249 W255	F236-D247 HydrophobicContact CD1-CB 4.35Å; F236-D247 HydrophobicContact CE1-CB 4.08Å; R239-D247 IonicContact NH1-OD2 3.23Å; R239-D247 PolarHBondContact NH1-OD2 3.06Å; Y241-D247 HydrophobicContact CE1-CB 4.36Å; Y241-D247 WeakPolarHBondContact CE1-OD2 3.41Å; Y241-D247 PolarHBondContact OH-OD2 3.16Å; T245-D247 HydrophobicContact CG2-CB 4.3Å; T245-D247 WeakPolarHBondContact OG1-CB 3.48Å; T245-D247 PolarHBondContact OG1-N 3.26Å; T245-D247 VanDerWaalsContact OG1-N 3.07Å; D247-R249 PolarHBondContact O-N 3.29Å; D247-W255 PolarHBondContact O-NE1 2.77Å
248	G	86.7	Confident	87.7	Confident	68 Å²	68	46.2 Å²	46.2	70%	0.701	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	2.4	-173.6	0	0	0	0	0	115
249	R	86.8	Confident	87.9	Confident	96 Å²	96	44.6 Å²	44.6	36%	0.362	27%	0.274	S	S	.	.			trans	-127.2	147.5	179.4	-55.3	-165.7	66.8	84.3	1.1	113.3	T246 D247 D251 W255	T246-R249 WeakPolarHBondContact O-CB 3.47Å; T246-R249 PolarHBondContact O-N 3.43Å; D247-R249 PolarHBondContact O-N 3.29Å; R249-D251 WeakPolarHBondContact CB-OD1 3.34Å; R249-D251 IonicContact CZ-OD1 3.35Å; R249-D251 IonicContact CZ-OD2 2.76Å; R249-D251 IonicContact NE-OD1 3.05Å; R249-D251 PolarHBondContact NE-OD1 3.43Å; R249-D251 IonicContact NE-OD2 3.57Å; R249-D251 PolarHBondContact NE-OD2 3.34Å; R249-D251 IonicContact NH2-OD1 2.78Å; R249-D251 IonicContact NH2-OD2 3.4Å; R249-D251 PolarHBondContact NH2-OD2 2.87Å; R249-W255 VanDerWaalsContact CD-CD1 3.48Å
250	S	85.4	Confident	88.3	Confident	131 Å²	131	41.3 Å²	41.3	92%	0.916	27%	0.273	S	S	*	.	S	Bend	trans	-105.9	-12.2	177.7	55.3	0	0	0	0	114.2	G252	S250-G252 VanDerWaalsContact C-N 3.29Å
251	D	82.5	Confident	88.7	Confident	64 Å²	64	40.1 Å²	40.1	34%	0.342	26%	0.26	S	S	.	.	S	Bend	trans	-82	-8.4	178.9	56.5	10	0	0	0	113.5	R249 V253 R275	R249-D251 WeakPolarHBondContact CB-OD1 3.34Å; R249-D251 IonicContact CZ-OD1 3.35Å; R249-D251 IonicContact CZ-OD2 2.76Å; R249-D251 IonicContact NE-OD1 3.05Å; R249-D251 PolarHBondContact NE-OD1 3.43Å; R249-D251 IonicContact NE-OD2 3.57Å; R249-D251 PolarHBondContact NE-OD2 3.34Å; R249-D251 IonicContact NH2-OD1 2.78Å; R249-D251 IonicContact NH2-OD2 3.4Å; R249-D251 PolarHBondContact NH2-OD2 2.87Å; D251-V253 HydrophobicContact CB-CG2 4.24Å; D251-V253 PolarHBondContact O-N 2.78Å; D251-V253 PolarHBondContact OD1-N 2.83Å; D251-R275 PolarHBondContact O-NH1 3.42Å
252	G	80.9	Confident	89.3	Confident	28 Å²	28	41.2 Å²	41.2	29%	0.289	27%	0.265	S	S	.	.			trans	69.4	16.2	-180	0	0	0	0	0	113.6	S250 R275	S250-G252 VanDerWaalsContact C-N 3.29Å; G252-R275 WeakPolarHBondContact O-CD 3.48Å
253	V	89	Confident	89.8	Confident	12 Å²	12	40.5 Å²	40.5	7%	0.073	26%	0.255	C	S	.	.			trans	-84.5	121.9	176.8	-176.9	0	0	0	0	109.2	D251 F270 R275 L276	D251-V253 HydrophobicContact CB-CG2 4.24Å; D251-V253 PolarHBondContact O-N 2.78Å; D251-V253 PolarHBondContact OD1-N 2.83Å; V253-F270 HydrophobicContact CB-CD1 4.29Å; V253-F270 HydrophobicContact CB-CE1 4.47Å; V253-F270 HydrophobicContact CG1-CB 4.38Å; V253-F270 HydrophobicContact CG1-CD1 3.49Å; V253-F270 VanDerWaalsContact CG1-CD1 3.49Å; V253-F270 HydrophobicContact CG1-CE1 4.09Å; V253-F270 HydrophobicContact CG1-CG 4.22Å; V253-R275 HydrophobicContact CG2-CB 4.15Å; V253-L276 HydrophobicContact CG1-CD1 3.61Å; V253-L276 HydrophobicContact CG1-CD2 3.78Å; V253-L276 HydrophobicContact CG1-CG 3.64Å; V253-L276 HydrophobicContact CG2-CD2 4.43Å
254	P	91.3	Very high	90.3	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.026	27%	0.274	C	S	.	.			trans	-70.9	142.5	-179.8	29.7	-34.8	0	0	0	111.4	C244 T245 T246 C271	C244-P254 HydrophobicContact CB-CB 4.03Å; T245-P254 CarbonylContact O-C 3.58Å; T245-P254 WeakPolarHBondContact O-CA 3.14Å; T246-P254 HydrophobicContact CG2-CB 4.34Å; P254-C271 HydrophobicContact CB-CB 4.25Å; P254-C271 HydrophobicContact CG-CB 4.27Å; P254-C271 PolarHBondContact O-N 2.95Å
255	W	93.4	Very high	90.6	Very high	10 Å²	10	47 Å²	47	4%	0.038	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	165.5	179	73.2	-81.8	0	0	0	110.8	F234 F236 C244 T245 D247 R249 Y262 F268 G269 F270	F234-W255 HydrophobicContact CE2-CH2 4.06Å; F234-W255 HydrophobicContact CE2-CZ3 4.1Å; F236-W255 HydrophobicContact CB-CH2 4.13Å; F236-W255 HydrophobicContact CB-CZ2 4.46Å; F236-W255 HydrophobicContact CD1-CH2 4.24Å; F236-W255 AromaticContact CD1-CZ2 3.75Å; F236-W255 HydrophobicContact CD1-CZ2 3.75Å; F236-W255 AromaticContact CD2-CH2 3.76Å; F236-W255 HydrophobicContact CD2-CH2 3.76Å; F236-W255 AromaticContact CD2-CZ2 3.92Å; F236-W255 HydrophobicContact CD2-CZ2 3.92Å; F236-W255 AromaticContact CE1-CZ2 3.88Å; F236-W255 HydrophobicContact CE1-CZ2 3.88Å; F236-W255 HydrophobicContact CE2-CH2 4.18Å; F236-W255 HydrophobicContact CE2-CZ2 4.02Å; F236-W255 AromaticContact CG-CH2 3.77Å; F236-W255 HydrophobicContact CG-CH2 3.77Å; F236-W255 AromaticContact CG-CZ2 3.77Å; F236-W255 HydrophobicContact CG-CZ2 3.77Å; F236-W255 HydrophobicContact CZ-CZ2 4Å; C244-W255 WeakPolarHBondContact CA-O 3.33Å; T245-W255 HydrophobicContact CG2-CZ2 4.28Å; T245-W255 PolarHBondContact N-O 2.88Å; T245-W255 PolarHBondContact O-N 3Å; D247-W255 PolarHBondContact O-NE1 2.77Å; R249-W255 VanDerWaalsContact CD-CD1 3.48Å; W255-Y262 AromaticContact CH2-CD1 3.85Å; W255-Y262 HydrophobicContact CH2-CD1 3.85Å; W255-Y262 AromaticContact CH2-CD2 3.97Å; W255-Y262 HydrophobicContact CH2-CD2 3.97Å; W255-Y262 AromaticContact CH2-CE1 3.96Å; W255-Y262 HydrophobicContact CH2-CE1 3.96Å; W255-Y262 HydrophobicContact CH2-CE2 4.14Å; W255-Y262 AromaticContact CH2-CG 3.79Å; W255-Y262 HydrophobicContact CH2-CG 3.79Å; W255-Y262 HydrophobicContact CZ3-CD1 4.33Å; W255-Y262 AromaticContact CZ3-CD2 3.58Å; W255-Y262 HydrophobicContact CZ3-CD2 3.58Å; W255-Y262 HydrophobicContact CZ3-CE1 4.43Å; W255-Y262 AromaticContact CZ3-CE2 3.77Å; W255-Y262 HydrophobicContact CZ3-CE2 3.77Å; W255-Y262 AromaticContact CZ3-CG 3.86Å; W255-Y262 HydrophobicContact CZ3-CG 3.86Å; W255-F268 HydrophobicContact CB-CD2 4.49Å; W255-F268 HydrophobicContact CE3-CB 3.81Å; W255-F268 HydrophobicContact CE3-CD2 4.16Å; W255-F268 HydrophobicContact CE3-CG 4.3Å; W255-F268 HydrophobicContact CZ3-CB 4.01Å; W255-G269 WeakPolarHBondContact CA-O 3.42Å; W255-F270 HydrophobicContact CB-CD1 4.11Å
256	C	94.1	Very high	90.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	156.8	174.7	68.3	0	0	0	0	110.7	T220 C230 F232 F234 F268 G269	T220-C256 WeakPolarHBondContact CG2-SG 2.94Å; C230-C256 WeakPolarHBondContact CA-SG 3.16Å; C230-C256 HydrophobicContact CB-CB 3.65Å; C230-C256 WeakPolarHBondContact CB-SG 3.36Å; C230-C256 WeakPolarHBondContact SG-CB 3.14Å; C230-C256 CovalentContact SG-SG 2.01Å; C230-C256 PolarHBondContact SG-SG 3.08Å; F232-C256 HydrophobicContact CE1-CB 4.25Å; F232-C256 HydrophobicContact CZ-CB 4.35Å; F234-C256 HydrophobicContact CD1-CB 4.5Å; F234-C256 HydrophobicContact CE1-CB 3.83Å; F234-C256 HydrophobicContact CZ-CB 4.31Å; C256-F268 WeakPolarHBondContact O-CA 3.46Å; C256-F268 VanDerWaalsContact O-CB 3.28Å; C256-F268 WeakPolarHBondContact O-CB 3.45Å; C256-G269 PolarHBondContact N-O 3.44Å; C256-G269 VanDerWaalsContact N-O 3.12Å; C256-G269 PolarHBondContact O-N 2.84Å
257	S	95.3	Very high	91.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	145.3	164.8	-168.9	0	0	0	0	110.4	H231 T259 R267	H231-S257 PolarHBondContact N-O 3.2Å; S257-T259 VanDerWaalsContact C-N 3.32Å; S257-T259 VanDerWaalsContact CB-O 3.27Å; S257-T259 WeakPolarHBondContact CB-O 3.38Å; S257-T259 PolarHBondContact OG-N 3.19Å; S257-T259 PolarHBondContact OG-O 2.83Å; S257-T259 PolarHBondContact OG-OG1 3.23Å; S257-R267 WeakPolarHBondContact CA-O 3.27Å; S257-R267 PolarHBondContact OG-O 2.86Å
258	T	94.6	Very high	91.7	Very high	24 Å²	24	55 Å²	55	15%	0.147	31%	0.308	C	S	.	.	S	Bend	trans	-96.7	9.6	169.7	67.9	0	0	0	0	112.2	T220 A225 A228 A229 R267	T220-T258 HydrophobicContact CG2-CG2 3.9Å; A225-T258 HydrophobicContact CB-CG2 3.35Å; A225-T258 WeakPolarHBondContact CB-OG1 3.23Å; A228-T258 HydrophobicContact CB-CG2 4.05Å; A229-T258 WeakPolarHBondContact O-CB 3.47Å; A229-T258 WeakPolarHBondContact O-CG2 3.49Å; T258-R267 PolarHBondContact N-O 3.38Å; T258-R267 WeakPolarHBondContact OG1-CB 3.48Å
259	T	93.9	Very high	92	Very high	32 Å²	32	51.8 Å²	51.8	20%	0.196	27%	0.274	C	S	.	.	S	Bend	trans	-136.7	165.7	173.1	69	0	0	0	0	110.6	F234 S257 N261 D265 R267	F234-T259 WeakPolarHBondContact CB-O 3.42Å; S257-T259 VanDerWaalsContact C-N 3.32Å; S257-T259 VanDerWaalsContact CB-O 3.27Å; S257-T259 WeakPolarHBondContact CB-O 3.38Å; S257-T259 PolarHBondContact OG-N 3.19Å; S257-T259 PolarHBondContact OG-O 2.83Å; S257-T259 PolarHBondContact OG-OG1 3.23Å; T259-N261 PolarHBondContact O-N 3.24Å; T259-D265 WeakPolarHBondContact CB-OD2 3.22Å; T259-D265 HydrophobicContact CG2-CB 4.18Å; T259-D265 VanDerWaalsContact OG1-CB 3.28Å; T259-D265 WeakPolarHBondContact OG1-CB 3.32Å; T259-D265 PolarHBondContact OG1-OD2 3.09Å; T259-R267 HydrophobicContact CG2-CB 4.05Å; T259-R267 HydrophobicContact CG2-CG 4.3Å
260	A	93	Very high	92.3	Very high	52 Å²	52	48.5 Å²	48.5	43%	0.43	26%	0.263	S	S	.	.	S	Bend	trans	-62.2	-26.6	-177.2	0	0	0	0	0	114.2	F234 T235	F234-A260 WeakPolarHBondContact CA-O 3.32Å; T235-A260 PolarHBondContact N-O 2.79Å
261	N	94.2	Very high	92.6	Very high	51 Å²	51	42.2 Å²	42.2	27%	0.273	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-136.3	103.7	-178.7	-169.4	-13	0	0	0	111.4	T259 D263 T264 D265	T259-N261 PolarHBondContact O-N 3.24Å; N261-D263 VanDerWaalsContact C-N 3.33Å; N261-D263 WeakPolarHBondContact OD1-CB 3.18Å; N261-D263 PolarHBondContact OD1-N 3.35Å; N261-T264 WeakPolarHBondContact CB-OG1 3.35Å; N261-T264 PolarHBondContact O-OG1 3.33Å; N261-T264 VanDerWaalsContact O-OG1 3.1Å; N261-D265 WeakPolarHBondContact O-CB 3.48Å; N261-D265 VanDerWaalsContact O-CG 3.29Å; N261-D265 PolarHBondContact O-N 3.28Å
262	Y	95.3	Very high	92.8	Very high	50 Å²	50	39.8 Å²	39.8	20%	0.196	21%	0.207	C	C	.	.	H	α-helix	trans	-68.3	-35.4	177.3	178.3	-93.9	0	0	0	112	T235 F236 W255 T264 D265 R266 F268	T235-Y262 WeakPolarHBondContact O-CB 3.04Å; T235-Y262 PolarHBondContact O-N 3.36Å; F236-Y262 AromaticContact CD2-CD1 3.5Å; F236-Y262 HydrophobicContact CD2-CD1 3.5Å; F236-Y262 VanDerWaalsContact CD2-CD1 3.5Å; F236-Y262 AromaticContact CD2-CE1 3.87Å; F236-Y262 HydrophobicContact CD2-CE1 3.87Å; F236-Y262 HydrophobicContact CD2-CG 4.41Å; F236-Y262 HydrophobicContact CE2-CD1 4.02Å; F236-Y262 AromaticContact CE2-CE1 3.9Å; F236-Y262 HydrophobicContact CE2-CE1 3.9Å; F236-Y262 HydrophobicContact CG-CD1 4.48Å; W255-Y262 AromaticContact CH2-CD1 3.85Å; W255-Y262 HydrophobicContact CH2-CD1 3.85Å; W255-Y262 AromaticContact CH2-CD2 3.97Å; W255-Y262 HydrophobicContact CH2-CD2 3.97Å; W255-Y262 AromaticContact CH2-CE1 3.96Å; W255-Y262 HydrophobicContact CH2-CE1 3.96Å; W255-Y262 HydrophobicContact CH2-CE2 4.14Å; W255-Y262 AromaticContact CH2-CG 3.79Å; W255-Y262 HydrophobicContact CH2-CG 3.79Å; W255-Y262 HydrophobicContact CZ3-CD1 4.33Å; W255-Y262 AromaticContact CZ3-CD2 3.58Å; W255-Y262 HydrophobicContact CZ3-CD2 3.58Å; W255-Y262 HydrophobicContact CZ3-CE1 4.43Å; W255-Y262 AromaticContact CZ3-CE2 3.77Å; W255-Y262 HydrophobicContact CZ3-CE2 3.77Å; W255-Y262 AromaticContact CZ3-CG 3.86Å; W255-Y262 HydrophobicContact CZ3-CG 3.86Å; Y262-T264 PolarHBondContact O-N 3.27Å; Y262-T264 VanDerWaalsContact O-N 3.12Å; Y262-D265 PolarHBondContact O-N 3.47Å; Y262-R266 WeakPolarHBondContact O-CA 3.43Å; Y262-R266 PolarHBondContact O-N 2.79Å; Y262-F268 HydrophobicContact CD2-CB 4.07Å; Y262-F268 HydrophobicContact CE2-CB 3.7Å; Y262-F268 AromaticContact CE2-CD1 3.93Å; Y262-F268 HydrophobicContact CE2-CD1 3.93Å; Y262-F268 HydrophobicContact CE2-CG 4Å
263	D	92.3	Very high	93.2	Very high	65 Å²	65	38.5 Å²	38.5	35%	0.348	19%	0.193	S	C	.	.	H	α-helix	trans	-59.3	-29	-176.7	-61	-28.2	0	0	0	111.5	F236 E237 G238 N261	F236-D263 WeakPolarHBondContact CA-OD1 3.47Å; E237-D263 VanDerWaalsContact N-CG 3.34Å; E237-D263 PolarHBondContact N-OD1 3.17Å; E237-D263 PolarHBondContact N-OD2 2.78Å; G238-D263 PolarHBondContact N-OD2 3.4Å; N261-D263 VanDerWaalsContact C-N 3.33Å; N261-D263 WeakPolarHBondContact OD1-CB 3.18Å; N261-D263 PolarHBondContact OD1-N 3.35Å
264	T	94.3	Very high	93.1	Very high	90 Å²	90	39 Å²	39	55%	0.552	20%	0.195	S	C	*	.	H	α-helix	trans	-92.9	-52.6	174.3	57.2	0	0	0	0	112.9	N261 Y262	N261-T264 WeakPolarHBondContact CB-OG1 3.35Å; N261-T264 PolarHBondContact O-OG1 3.33Å; N261-T264 VanDerWaalsContact O-OG1 3.1Å; Y262-T264 PolarHBondContact O-N 3.27Å; Y262-T264 VanDerWaalsContact O-N 3.12Å
265	D	95.1	Very high	93	Very high	80 Å²	80	44.2 Å²	44.2	43%	0.428	21%	0.214	S	C	.	.	H	α-helix	trans	-89.1	-26.3	-162.6	-54.4	-18.3	0	0	0	112.4	T259 N261 Y262 R267	T259-D265 WeakPolarHBondContact CB-OD2 3.22Å; T259-D265 HydrophobicContact CG2-CB 4.18Å; T259-D265 VanDerWaalsContact OG1-CB 3.28Å; T259-D265 WeakPolarHBondContact OG1-CB 3.32Å; T259-D265 PolarHBondContact OG1-OD2 3.09Å; N261-D265 WeakPolarHBondContact O-CB 3.48Å; N261-D265 VanDerWaalsContact O-CG 3.29Å; N261-D265 PolarHBondContact O-N 3.28Å; Y262-D265 PolarHBondContact O-N 3.47Å; D265-R267 PolarHBondContact O-N 2.91Å; D265-R267 VanDerWaalsContact O-N 3.09Å
266	R	94.6	Very high	92.8	Very high	172 Å²	172	45.6 Å²	45.6	65%	0.649	22%	0.222	S	C	*	.			trans	53.3	28.3	179.5	-53.9	-177.5	179.5	-173.4	-1.5	113.9	N224 Y262	N224-R266 PolarHBondContact ND2-O 2.64Å; Y262-R266 WeakPolarHBondContact O-CA 3.43Å; Y262-R266 PolarHBondContact O-N 2.79Å
267	R	96.7	Very high	92.6	Very high	89 Å²	89	46.9 Å²	46.9	34%	0.336	23%	0.227	S	C	.	.			trans	-94.2	119.7	174.3	-65.4	-67.2	-70.4	179.9	-1	109.4	N224 D226 S257 T258 T259 D265	N224-R267 PolarHBondContact O-NH1 2.71Å; N224-R267 PolarHBondContact O-NH2 3.05Å; N224-R267 WeakPolarHBondContact OD1-CA 2.84Å; D226-R267 IonicContact OD2-CZ 2.68Å; D226-R267 IonicContact OD2-NH1 2.66Å; D226-R267 IonicContact OD2-NH2 3.37Å; D226-R267 PolarHBondContact OD2-NH2 3.4Å; S257-R267 WeakPolarHBondContact CA-O 3.27Å; S257-R267 PolarHBondContact OG-O 2.86Å; T258-R267 PolarHBondContact N-O 3.38Å; T258-R267 WeakPolarHBondContact OG1-CB 3.48Å; T259-R267 HydrophobicContact CG2-CB 4.05Å; T259-R267 HydrophobicContact CG2-CG 4.3Å; D265-R267 PolarHBondContact O-N 2.91Å; D265-R267 VanDerWaalsContact O-N 3.09Å
268	F	95.8	Very high	92.3	Very high	37 Å²	37	47 Å²	47	16%	0.162	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	162.3	-178.5	80.4	-72.5	0	0	0	112.2	N224 A225 W255 C256 Y262 F270	N224-F268 PolarHBondContact N-O 3.16Å; N224-F268 PolarHBondContact OD1-N 2.74Å; N224-F268 PolarHBondContact OD1-O 2.92Å; A225-F268 VanDerWaalsContact CB-O 3.27Å; A225-F268 WeakPolarHBondContact CB-O 3.41Å; A225-F268 PolarHBondContact N-O 3.02Å; A225-F268 VanDerWaalsContact N-O 3.13Å; W255-F268 HydrophobicContact CB-CD2 4.49Å; W255-F268 HydrophobicContact CE3-CB 3.81Å; W255-F268 HydrophobicContact CE3-CD2 4.16Å; W255-F268 HydrophobicContact CE3-CG 4.3Å; W255-F268 HydrophobicContact CZ3-CB 4.01Å; C256-F268 WeakPolarHBondContact O-CA 3.46Å; C256-F268 VanDerWaalsContact O-CB 3.28Å; C256-F268 WeakPolarHBondContact O-CB 3.45Å; Y262-F268 HydrophobicContact CD2-CB 4.07Å; Y262-F268 HydrophobicContact CE2-CB 3.7Å; Y262-F268 AromaticContact CE2-CD1 3.93Å; Y262-F268 HydrophobicContact CE2-CD1 3.93Å; Y262-F268 HydrophobicContact CE2-CG 4Å; F268-F270 HydrophobicContact CE2-CE1 4.48Å; F268-F270 HydrophobicContact CE2-CE2 4.08Å; F268-F270 HydrophobicContact CE2-CZ 4.02Å
269	G	94.6	Very high	91.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	174	163.4	0	0	0	0	0	110.7	W255 C256	W255-G269 WeakPolarHBondContact CA-O 3.42Å; C256-G269 PolarHBondContact N-O 3.44Å; C256-G269 VanDerWaalsContact N-O 3.12Å; C256-G269 PolarHBondContact O-N 2.84Å
270	F	93.1	Very high	91.1	Very high	27 Å²	27	54.2 Å²	54.2	12%	0.118	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	140.1	-178.7	-60.8	-86.4	0	0	0	110.9	T220 K221 F222 V253 W255 F268 L276	T220-F270 CarbonylContact C-O 3.56Å; T220-F270 WeakPolarHBondContact CA-O 3.36Å; K221-F270 PolarHBondContact N-O 3.26Å; K221-F270 WeakPolarHBondContact O-CB 3.23Å; K221-F270 WeakPolarHBondContact O-CD2 3.36Å; K221-F270 PolarHBondContact O-N 3.4Å; F222-F270 HydrophobicContact CB-CD2 3.89Å; F222-F270 HydrophobicContact CB-CE2 4.29Å; V253-F270 HydrophobicContact CB-CD1 4.29Å; V253-F270 HydrophobicContact CB-CE1 4.47Å; V253-F270 HydrophobicContact CG1-CB 4.38Å; V253-F270 HydrophobicContact CG1-CD1 3.49Å; V253-F270 VanDerWaalsContact CG1-CD1 3.49Å; V253-F270 HydrophobicContact CG1-CE1 4.09Å; V253-F270 HydrophobicContact CG1-CG 4.22Å; W255-F270 HydrophobicContact CB-CD1 4.11Å; F268-F270 HydrophobicContact CE2-CE1 4.48Å; F268-F270 HydrophobicContact CE2-CE2 4.08Å; F268-F270 HydrophobicContact CE2-CZ 4.02Å; F270-L276 HydrophobicContact CB-CD1 3.44Å; F270-L276 VanDerWaalsContact CB-CD1 3.44Å; F270-L276 HydrophobicContact CG-CD1 4.12Å
271	C	90.8	Very high	90.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-76.8	159.6	177.2	-60.5	0	0	0	0	110.8	V218 C230 C244 P254 S273	V218-C271 HydrophobicContact CG1-CB 4.16Å; C230-C271 VanDerWaalsContact SG-SG 3.69Å; C244-C271 HydrophobicContact CB-CB 3.6Å; C244-C271 WeakPolarHBondContact CB-SG 3.33Å; C244-C271 WeakPolarHBondContact SG-CB 3.46Å; C244-C271 CovalentContact SG-SG 2.01Å; C244-C271 PolarHBondContact SG-SG 3.07Å; P254-C271 HydrophobicContact CB-CB 4.25Å; P254-C271 HydrophobicContact CG-CB 4.27Å; P254-C271 PolarHBondContact O-N 2.95Å; C271-S273 PolarHBondContact O-N 3.16Å
272	P	87.5	Confident	90.5	Very high	13 Å²	13	54.3 Å²	54.3	8%	0.084	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-48.9	118.8	171.4	-27.6	35.9	0	0	0	111	V218 P330 R332	V218-P272 VanDerWaalsContact CG1-CD 3.4Å; V218-P272 HydrophobicContact CG1-CG 4.22Å; P272-P330 HydrophobicContact CB-CB 3.57Å; P272-R332 WeakPolarHBondContact O-CG 3.46Å
273	S	88.4	Confident	90.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.255	C	S	.	.			trans	-148.7	139.1	177.5	-179.7	0	0	0	0	110.7	C271 R275 L276 Y277	C271-S273 PolarHBondContact O-N 3.16Å; S273-R275 PolarHBondContact O-N 3.33Å; S273-R275 PolarHBondContact OG-N 3.36Å; S273-R275 VanDerWaalsContact OG-N 3.14Å; S273-L276 WeakPolarHBondContact O-CB 3.5Å; S273-L276 PolarHBondContact O-N 2.7Å; S273-Y277 PolarHBondContact O-N 2.98Å; S273-Y277 VanDerWaalsContact O-N 3.12Å; S273-Y277 VanDerWaalsContact O-O 3.14Å
274	E	87	Confident	90	Very high	23 Å²	23	56.5 Å²	56.5	11%	0.107	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-23.9	169.7	75.6	-90.1	-145.9	0	0	112.8	L276 C288 F290 C302 C329 R332	E274-L276 VanDerWaalsContact C-N 3.3Å; E274-C288 WeakPolarHBondContact CB-SG 3.19Å; E274-C288 WeakPolarHBondContact O-CB 3.28Å; E274-C288 PolarHBondContact O-N 2.84Å; E274-C288 PolarHBondContact O-SG 2.89Å; E274-F290 HydrophobicContact CG-CE2 3.72Å; E274-F290 HydrophobicContact CG-CZ 3.93Å; E274-C302 WeakPolarHBondContact CB-SG 3.44Å; E274-C302 WeakPolarHBondContact CG-SG 3.3Å; E274-C329 HydrophobicContact CB-CB 3.93Å; E274-R332 IonicContact OE2-NH1 2.98Å
275	R	89.9	Confident	89.7	Confident	113 Å²	113	53.6 Å²	53.6	43%	0.426	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-16.2	175	-66.7	179.1	169.7	-94.9	-12.8	113.3	D251 G252 V253 S273 P287	D251-R275 PolarHBondContact O-NH1 3.42Å; G252-R275 WeakPolarHBondContact O-CD 3.48Å; V253-R275 HydrophobicContact CG2-CB 4.15Å; S273-R275 PolarHBondContact O-N 3.33Å; S273-R275 PolarHBondContact OG-N 3.36Å; S273-R275 VanDerWaalsContact OG-N 3.14Å; R275-P287 WeakPolarHBondContact O-CB 3.2Å
276	L	88.7	Confident	89.5	Confident	40 Å²	40	55.4 Å²	55.4	21%	0.209	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-45.1	-179	-69.4	174.4	0	0	0	112.1	F222 V253 F270 S273 E274	F222-L276 HydrophobicContact CD2-CD1 4.47Å; F222-L276 HydrophobicContact CD2-CD2 4.44Å; F222-L276 HydrophobicContact CE2-CB 4.35Å; F222-L276 HydrophobicContact CE2-CD2 4.28Å; V253-L276 HydrophobicContact CG1-CD1 3.61Å; V253-L276 HydrophobicContact CG1-CD2 3.78Å; V253-L276 HydrophobicContact CG1-CG 3.64Å; V253-L276 HydrophobicContact CG2-CD2 4.43Å; F270-L276 HydrophobicContact CB-CD1 3.44Å; F270-L276 VanDerWaalsContact CB-CD1 3.44Å; F270-L276 HydrophobicContact CG-CD1 4.12Å; S273-L276 WeakPolarHBondContact O-CB 3.5Å; S273-L276 PolarHBondContact O-N 2.7Å; E274-L276 VanDerWaalsContact C-N 3.3Å
277	Y	88.9	Confident	89.5	Confident	26 Å²	26	50 Å²	50	10%	0.102	26%	0.258	C	S	.	.			trans	-158.8	161.9	-178.7	70	-78.1	0	0	0	110.4	K221 S273 Q279 G285 P330	K221-Y277 HydrophobicContact CD-CD1 3.86Å; K221-Y277 HydrophobicContact CD-CE1 3.5Å; K221-Y277 VanDerWaalsContact CE-CZ 3.43Å; K221-Y277 HydrophobicContact CG-CE1 4.39Å; S273-Y277 PolarHBondContact O-N 2.98Å; S273-Y277 VanDerWaalsContact O-N 3.12Å; S273-Y277 VanDerWaalsContact O-O 3.14Å; Y277-Q279 HydrophobicContact CD2-CG 4.25Å; Y277-Q279 HydrophobicContact CE2-CG 3.7Å; Y277-G285 VanDerWaalsContact CA-O 3.31Å; Y277-G285 WeakPolarHBondContact CA-O 3.44Å; Y277-G285 WeakPolarHBondContact CB-O 3.01Å; Y277-P330 HydrophobicContact CD1-CG 4.43Å; Y277-P330 HydrophobicContact CD2-CG 4.1Å; Y277-P330 HydrophobicContact CE1-CG 3.96Å; Y277-P330 HydrophobicContact CE2-CB 4.34Å; Y277-P330 HydrophobicContact CE2-CG 3.6Å; Y277-P330 HydrophobicContact CG-CG 4.49Å; Y277-P330 VanDerWaalsContact CZ-CG 3.5Å; Y277-P330 WeakPolarHBondContact O-CD 3.39Å
278	T	88.8	Confident	89.4	Confident	4 Å²	4	46.5 Å²	46.5	3%	0.025	25%	0.246	C	C	.	.			trans	-111.2	158.5	165.6	52	0	0	0	0	110.5	G285 K286 C314 T316 F328	T278-G285 PolarHBondContact N-O 2.92Å; T278-G285 VanDerWaalsContact O-CA 3.31Å; T278-G285 WeakPolarHBondContact O-CA 3.4Å; T278-K286 WeakPolarHBondContact CB-O 3.38Å; T278-K286 VanDerWaalsContact CG2-O 3.27Å; T278-K286 WeakPolarHBondContact CG2-O 3.29Å; T278-K286 PolarHBondContact N-O 3.18Å; T278-K286 PolarHBondContact OG1-O 3.12Å; T278-C314 VanDerWaalsContact CG2-SG 3.55Å; T278-T316 HydrophobicContact CG2-CG2 4.21Å; T278-F328 CarbonylContact C-O 3.54Å; T278-F328 VanDerWaalsContact CA-O 3.26Å; T278-F328 WeakPolarHBondContact CA-O 3.37Å; T278-F328 WeakPolarHBondContact CB-O 3.42Å
279	Q	81.6	Confident	89.4	Confident	81 Å²	81	49 Å²	49	38%	0.379	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-101.4	146.6	172.4	-64.4	178.4	-3.6	0	0	109.1	Y277 F328 P330	Y277-Q279 HydrophobicContact CD2-CG 4.25Å; Y277-Q279 HydrophobicContact CE2-CG 3.7Å; Q279-F328 PolarHBondContact N-O 2.66Å; Q279-F328 WeakPolarHBondContact O-CB 3.32Å; Q279-F328 WeakPolarHBondContact O-CD2 3.41Å; Q279-F328 PolarHBondContact O-N 2.62Å; Q279-P330 HydrophobicContact CG-CG 4.38Å
280	D	83.4	Confident	89.4	Confident	125 Å²	125	50.8 Å²	50.8	67%	0.668	27%	0.266	S	S	*	.	S	Bend	trans	46.7	-138.7	-179.8	-48.3	-52	0	0	0	113	F328	D280-F328 HydrophobicContact CB-CD2 3.89Å; D280-F328 HydrophobicContact CB-CE2 4.26Å
281	G	85.8	Confident	89.5	Confident	33 Å²	33	53.1 Å²	53.1	34%	0.34	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	-155.7	-177	0	0	0	0	0	112.7
282	N	88.6	Confident	89.8	Confident	73 Å²	73	53.2 Å²	53.2	39%	0.39	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	13.7	-179.6	65.9	-1.5	0	0	0	112.5	K324 L325 Y326	N282-K324 PolarHBondContact ND2-O 2.89Å; N282-K324 PolarHBondContact OD1-O 3.12Å; N282-L325 WeakPolarHBondContact OD1-CA 3.43Å; N282-Y326 PolarHBondContact N-O 2.76Å; N282-Y326 VanDerWaalsContact N-O 3.09Å; N282-Y326 VanDerWaalsContact OD1-CD1 3.27Å; N282-Y326 WeakPolarHBondContact OD1-CD1 3.23Å; N282-Y326 PolarHBondContact OD1-N 3.32Å; N282-Y326 PolarHBondContact OD1-O 2.88Å
283	A	89.1	Confident	90.2	Very high	3 Å²	3	55.7 Å²	55.7	3%	0.025	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	9.4	-177.9	0	0	0	0	0	113.9	G285 K286 T316 Y326	A283-G285 PolarHBondContact O-N 2.92Å; A283-K286 HydrophobicContact CB-CB 4.35Å; A283-K286 VanDerWaalsContact O-CB 3.32Å; A283-K286 WeakPolarHBondContact O-CB 3.43Å; A283-K286 VanDerWaalsContact O-CG 3.22Å; A283-K286 WeakPolarHBondContact O-CG 3.31Å; A283-K286 PolarHBondContact O-N 2.87Å; A283-T316 HydrophobicContact CB-CG2 3.46Å; A283-T316 VanDerWaalsContact CB-CG2 3.46Å; A283-T316 WeakPolarHBondContact CB-OG1 3.43Å; A283-Y326 VanDerWaalsContact CB-O 3.23Å; A283-Y326 WeakPolarHBondContact CB-O 3.36Å; A283-Y326 PolarHBondContact N-O 3.01Å
284	D	88.1	Confident	90.5	Very high	157 Å²	157	56.4 Å²	56.4	84%	0.84	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	42.4	177	-58.2	-37.6	0	0	0	113.5	K286	D284-K286 VanDerWaalsContact C-N 3.3Å; D284-K286 PolarHBondContact O-N 2.91Å
285	G	86.6	Confident	90.8	Very high	29 Å²	29	62 Å²	62	30%	0.299	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	9.3	177.9	0	0	0	0	0	115.9	Y277 T278 A283	Y277-G285 VanDerWaalsContact CA-O 3.31Å; Y277-G285 WeakPolarHBondContact CA-O 3.44Å; Y277-G285 WeakPolarHBondContact CB-O 3.01Å; T278-G285 PolarHBondContact N-O 2.92Å; T278-G285 VanDerWaalsContact O-CA 3.31Å; T278-G285 WeakPolarHBondContact O-CA 3.4Å; A283-G285 PolarHBondContact O-N 2.92Å
286	K	92.5	Very high	90.8	Very high	119 Å²	119	59.8 Å²	59.8	52%	0.517	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-56.9	145.3	173.5	-75.5	175.4	-177.8	175.7	0	111.6	T278 A283 D284 T316	T278-K286 WeakPolarHBondContact CB-O 3.38Å; T278-K286 VanDerWaalsContact CG2-O 3.27Å; T278-K286 WeakPolarHBondContact CG2-O 3.29Å; T278-K286 PolarHBondContact N-O 3.18Å; T278-K286 PolarHBondContact OG1-O 3.12Å; A283-K286 HydrophobicContact CB-CB 4.35Å; A283-K286 VanDerWaalsContact O-CB 3.32Å; A283-K286 WeakPolarHBondContact O-CB 3.43Å; A283-K286 VanDerWaalsContact O-CG 3.22Å; A283-K286 WeakPolarHBondContact O-CG 3.31Å; A283-K286 PolarHBondContact O-N 2.87Å; D284-K286 VanDerWaalsContact C-N 3.3Å; D284-K286 PolarHBondContact O-N 2.91Å; K286-T316 HydrophobicContact CB-CG2 4.09Å; K286-T316 WeakPolarHBondContact O-CG2 3.34Å
287	P	94.4	Very high	91	Very high	59 Å²	59	63.6 Å²	63.6	38%	0.383	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-66	158.9	175.6	28.7	-35.2	0	0	0	111.6	R275 T316	R275-P287 WeakPolarHBondContact O-CB 3.2Å; P287-T316 WeakPolarHBondContact O-CB 3.24Å; P287-T316 WeakPolarHBondContact O-CG2 3.07Å
288	C	94.8	Very high	91.3	Very high	14 Å²	14	66.3 Å²	66.3	10%	0.095	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-63.8	142.6	173.3	-57.5	0	0	0	0	111.9	E274 F290 C314 A315	E274-C288 WeakPolarHBondContact CB-SG 3.19Å; E274-C288 WeakPolarHBondContact O-CB 3.28Å; E274-C288 PolarHBondContact O-N 2.84Å; E274-C288 PolarHBondContact O-SG 2.89Å; C288-F290 HydrophobicContact CB-CD2 4.16Å; C288-F290 HydrophobicContact CB-CE1 4.13Å; C288-F290 HydrophobicContact CB-CE2 3.51Å; C288-F290 HydrophobicContact CB-CZ 3.5Å; C288-F290 VanDerWaalsContact CB-CZ 3.5Å; C288-C314 WeakPolarHBondContact CA-SG 3.38Å; C288-C314 HydrophobicContact CB-CB 3.55Å; C288-C314 WeakPolarHBondContact CB-SG 3.48Å; C288-C314 WeakPolarHBondContact SG-CB 3.44Å; C288-C314 CovalentContact SG-SG 1.98Å; C288-C314 PolarHBondContact SG-SG 2.81Å; C288-A315 WeakPolarHBondContact CA-O 3.38Å
289	Q	95.7	Very high	91.3	Very high	91 Å²	91	67.5 Å²	67.5	43%	0.425	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-94.9	119.4	168.5	178	63.3	44.8	0	0	108.6	P291 F292 A315 A318	Q289-P291 CarbonylContact O-C 3.51Å; Q289-F292 WeakPolarHBondContact O-CB 3.47Å; Q289-F292 WeakPolarHBondContact O-CD1 3.41Å; Q289-A315 PolarHBondContact N-O 3.3Å; Q289-A318 HydrophobicContact CG-CB 4.35Å
290	F	93.1	Very high	91.7	Very high	37 Å²	37	68.1 Å²	68.1	16%	0.162	40%	0.395	C	S	.	.	S	Bend	trans	-116	137.7	174.1	-63.8	-58	0	0	0	111.8	E274 C288 F292 S300 A301 C314	E274-F290 HydrophobicContact CG-CE2 3.72Å; E274-F290 HydrophobicContact CG-CZ 3.93Å; C288-F290 HydrophobicContact CB-CD2 4.16Å; C288-F290 HydrophobicContact CB-CE1 4.13Å; C288-F290 HydrophobicContact CB-CE2 3.51Å; C288-F290 HydrophobicContact CB-CZ 3.5Å; C288-F290 VanDerWaalsContact CB-CZ 3.5Å; F290-F292 HydrophobicContact CD1-CD1 4.01Å; F290-F292 HydrophobicContact CD1-CE1 4.3Å; F290-F292 HydrophobicContact CE1-CD1 4.01Å; F290-F292 AromaticContact CE1-CE1 3.87Å; F290-F292 HydrophobicContact CE1-CE1 3.87Å; F290-S300 WeakPolarHBondContact CD1-O 3.09Å; F290-A301 WeakPolarHBondContact CE1-O 3.23Å; F290-C314 HydrophobicContact CE1-CB 4.24Å; F290-C314 HydrophobicContact CZ-CB 4.23Å
291	P	95.6	Very high	91.9	Very high	76 Å²	76	64.6 Å²	64.6	49%	0.494	38%	0.383	S	S	.	.	S	Bend	cis	-70	157.6	-14.2	31.5	-34.1	0	0	0	111.9	Q289 S298 Y299	Q289-P291 CarbonylContact O-C 3.51Å; P291-S298 WeakPolarHBondContact CB-OG 3.49Å; P291-Y299 CarbonylContact C-O 3.47Å; P291-Y299 WeakPolarHBondContact CA-O 3.44Å; P291-Y299 WeakPolarHBondContact CB-O 3.3Å
292	F	97	Very high	92	Very high	1 Å²	1	64.2 Å²	64.2	0%	0.004	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	152.3	168.3	70.5	-92	0	0	0	112.3	Q289 F290 F294 S298 Y299 T303 W313 C314 A315 T317 A318	Q289-F292 WeakPolarHBondContact O-CB 3.47Å; Q289-F292 WeakPolarHBondContact O-CD1 3.41Å; F290-F292 HydrophobicContact CD1-CD1 4.01Å; F290-F292 HydrophobicContact CD1-CE1 4.3Å; F290-F292 HydrophobicContact CE1-CD1 4.01Å; F290-F292 AromaticContact CE1-CE1 3.87Å; F290-F292 HydrophobicContact CE1-CE1 3.87Å; F292-F294 HydrophobicContact CD2-CB 4.21Å; F292-F294 HydrophobicContact CE2-CB 3.88Å; F292-S298 CarbonylContact O-C 3.49Å; F292-S298 WeakPolarHBondContact O-CA 3.3Å; F292-Y299 HydrophobicContact CD2-CD2 4.38Å; F292-Y299 HydrophobicContact CE1-CG 4.49Å; F292-Y299 AromaticContact CE2-CD2 3.89Å; F292-Y299 HydrophobicContact CE2-CD2 3.89Å; F292-Y299 HydrophobicContact CE2-CG 4.18Å; F292-Y299 HydrophobicContact CZ-CD2 4.2Å; F292-Y299 HydrophobicContact CZ-CG 4Å; F292-Y299 PolarHBondContact N-O 2.73Å; F292-Y299 PolarHBondContact O-N 2.85Å; F292-T303 HydrophobicContact CZ-CG2 3.96Å; F292-W313 AromaticContact CE2-CH2 3.96Å; F292-W313 HydrophobicContact CE2-CH2 3.96Å; F292-W313 HydrophobicContact CE2-CZ2 4.48Å; F292-W313 HydrophobicContact CE2-CZ3 4.14Å; F292-C314 HydrophobicContact CD1-CB 4.4Å; F292-C314 HydrophobicContact CE1-CB 3.8Å; F292-C314 HydrophobicContact CZ-CB 4.38Å; F292-A315 HydrophobicContact CB-CB 3.5Å; F292-A315 HydrophobicContact CD1-CB 4.1Å; F292-A315 HydrophobicContact CD2-CB 3.41Å; F292-A315 VanDerWaalsContact CD2-CB 3.41Å; F292-A315 HydrophobicContact CE2-CB 4.1Å; F292-A315 HydrophobicContact CG-CB 3.4Å; F292-A315 VanDerWaalsContact CG-CB 3.4Å; F292-T317 WeakPolarHBondContact CB-O 3.32Å; F292-A318 WeakPolarHBondContact CA-O 3.42Å
293	I	96.2	Very high	91.7	Very high	65 Å²	65	61.4 Å²	61.4	33%	0.333	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.4	178	-59.4	170.6	0	0	0	110.5	Q297 A318 N319 Y320	I293-Q297 CarbonylContact C-O 3.55Å; I293-Q297 VanDerWaalsContact CA-O 3.28Å; I293-Q297 WeakPolarHBondContact CA-O 3.23Å; I293-A318 PolarHBondContact N-O 3.1Å; I293-N319 HydrophobicContact CB-CB 4.41Å; I293-Y320 WeakPolarHBondContact O-CB 3.48Å; I293-Y320 PolarHBondContact O-N 3.43Å
294	F	95.6	Very high	91.2	Very high	15 Å²	15	64.1 Å²	64.1	7%	0.066	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	128.4	169.8	170.7	-119.4	0	0	0	110.5	F292 G296 Q297 Y299 D305 W313 Y320	F292-F294 HydrophobicContact CD2-CB 4.21Å; F292-F294 HydrophobicContact CE2-CB 3.88Å; F294-G296 PolarHBondContact O-N 3.24Å; F294-Q297 PolarHBondContact N-O 3.32Å; F294-Q297 PolarHBondContact O-N 3.02Å; F294-Y299 HydrophobicContact CB-CD2 4.04Å; F294-Y299 HydrophobicContact CB-CE2 3.77Å; F294-Y299 HydrophobicContact CD1-CE2 4.01Å; F294-Y299 HydrophobicContact CG-CE2 4.38Å; F294-D305 HydrophobicContact CD1-CB 4.38Å; F294-D305 HydrophobicContact CE1-CB 4.21Å; F294-D305 VanDerWaalsContact CE1-O 3.3Å; F294-D305 WeakPolarHBondContact CE1-O 3.37Å; F294-W313 HydrophobicContact CB-CH2 4.16Å; F294-W313 HydrophobicContact CB-CZ2 4.4Å; F294-W313 HydrophobicContact CD1-CH2 4.29Å; F294-W313 AromaticContact CD1-CZ2 3.73Å; F294-W313 HydrophobicContact CD1-CZ2 3.73Å; F294-W313 AromaticContact CD2-CH2 3.89Å; F294-W313 HydrophobicContact CD2-CH2 3.89Å; F294-W313 HydrophobicContact CD2-CZ2 4Å; F294-W313 AromaticContact CE1-CZ2 3.9Å; F294-W313 HydrophobicContact CE1-CZ2 3.9Å; F294-W313 HydrophobicContact CE2-CH2 4.3Å; F294-W313 HydrophobicContact CE2-CZ2 4.12Å; F294-W313 AromaticContact CG-CH2 3.85Å; F294-W313 HydrophobicContact CG-CH2 3.85Å; F294-W313 AromaticContact CG-CZ2 3.77Å; F294-W313 HydrophobicContact CG-CZ2 3.77Å; F294-W313 HydrophobicContact CZ-CZ2 4.07Å; F294-Y320 AromaticContact CD2-CD1 3.37Å; F294-Y320 HydrophobicContact CD2-CD1 3.37Å; F294-Y320 AromaticContact CD2-CE1 3.66Å; F294-Y320 HydrophobicContact CD2-CE1 3.66Å; F294-Y320 HydrophobicContact CD2-CG 4.31Å; F294-Y320 AromaticContact CE2-CD1 3.86Å; F294-Y320 HydrophobicContact CE2-CD1 3.86Å; F294-Y320 AromaticContact CE2-CE1 3.63Å; F294-Y320 HydrophobicContact CE2-CE1 3.63Å; F294-Y320 HydrophobicContact CG-CD1 4.35Å
295	Q	92.7	Very high	90.7	Very high	142 Å²	142	59.8 Å²	59.8	66%	0.664	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	38.2	-171.6	-59.4	-172.7	5.7	0	0	113.6	Q297 D321	Q295-Q297 PolarHBondContact O-N 3.3Å; Q295-D321 WeakPolarHBondContact CA-OD2 3.33Å; Q295-D321 PolarHBondContact N-OD1 2.99Å; Q295-D321 PolarHBondContact N-OD2 2.99Å
296	G	89.6	Confident	90.2	Very high	65 Å²	65	61.4 Å²	61.4	67%	0.67	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	3.5	-177.3	0	0	0	0	0	115.7	F294 D321	F294-G296 PolarHBondContact O-N 3.24Å; G296-D321 PolarHBondContact N-OD2 2.9Å
297	Q	93.1	Very high	88.8	Confident	120 Å²	120	58.8 Å²	58.8	56%	0.561	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	146.1	171.2	-61.9	-167.6	26.7	0	0	111	I293 F294 Q295 Y299	I293-Q297 CarbonylContact C-O 3.55Å; I293-Q297 VanDerWaalsContact CA-O 3.28Å; I293-Q297 WeakPolarHBondContact CA-O 3.23Å; F294-Q297 PolarHBondContact N-O 3.32Å; F294-Q297 PolarHBondContact O-N 3.02Å; Q295-Q297 PolarHBondContact O-N 3.3Å; Q297-Y299 HydrophobicContact CB-CE2 3.76Å
298	S	94.2	Very high	86.3	Confident	83 Å²	83	57.4 Å²	57.4	58%	0.58	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	124.1	180	173.6	0	0	0	0	110.6	P291 F292	P291-S298 WeakPolarHBondContact CB-OG 3.49Å; F292-S298 CarbonylContact O-C 3.49Å; F292-S298 WeakPolarHBondContact O-CA 3.3Å
299	Y	90.4	Very high	84	Confident	30 Å²	30	58.2 Å²	58.2	12%	0.118	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.7	-178.9	-65.4	-89.7	0	0	0	111	P291 F292 F294 Q297 T303 D305	P291-Y299 CarbonylContact C-O 3.47Å; P291-Y299 WeakPolarHBondContact CA-O 3.44Å; P291-Y299 WeakPolarHBondContact CB-O 3.3Å; F292-Y299 HydrophobicContact CD2-CD2 4.38Å; F292-Y299 HydrophobicContact CE1-CG 4.49Å; F292-Y299 AromaticContact CE2-CD2 3.89Å; F292-Y299 HydrophobicContact CE2-CD2 3.89Å; F292-Y299 HydrophobicContact CE2-CG 4.18Å; F292-Y299 HydrophobicContact CZ-CD2 4.2Å; F292-Y299 HydrophobicContact CZ-CG 4Å; F292-Y299 PolarHBondContact N-O 2.73Å; F292-Y299 PolarHBondContact O-N 2.85Å; F294-Y299 HydrophobicContact CB-CD2 4.04Å; F294-Y299 HydrophobicContact CB-CE2 3.77Å; F294-Y299 HydrophobicContact CD1-CE2 4.01Å; F294-Y299 HydrophobicContact CG-CE2 4.38Å; Q297-Y299 HydrophobicContact CB-CE2 3.76Å; Y299-T303 HydrophobicContact CD1-CG2 3.85Å; Y299-T303 HydrophobicContact CE1-CG2 3.97Å; Y299-T303 WeakPolarHBondContact CE1-OG1 3.43Å; Y299-T303 HydrophobicContact CG-CG2 4.22Å; Y299-D305 HydrophobicContact CE1-CB 4.11Å; Y299-D305 WeakPolarHBondContact CE1-OD2 3.38Å; Y299-D305 WeakPolarHBondContact OH-CB 3.49Å; Y299-D305 PolarHBondContact OH-OD2 3.21Å
300	S	89.8	Confident	82.1	Confident	94 Å²	94	55.5 Å²	55.5	66%	0.657	35%	0.348	S	S	*	.	S	Bend	trans	-102.5	-0.2	178.5	55.2	0	0	0	0	114	F290	F290-S300 WeakPolarHBondContact CD1-O 3.09Å
301	A	87.9	Confident	80.6	Confident	51 Å²	51	58.4 Å²	58.4	42%	0.421	36%	0.359	S	S	.	.	S	Bend	trans	-145	170.3	176.4	0	0	0	0	0	108.9	F290	F290-A301 WeakPolarHBondContact CE1-O 3.23Å
302	C	87.2	Confident	79.8	Confident	25 Å²	25	57.4 Å²	57.4	17%	0.169	35%	0.345	C	S	.	.			trans	-57.5	142.7	170.6	-58.8	0	0	0	0	110.6	E274 R312 W313 C329	E274-C302 WeakPolarHBondContact CB-SG 3.44Å; E274-C302 WeakPolarHBondContact CG-SG 3.3Å; C302-R312 HydrophobicContact CB-CB 3.95Å; C302-W313 CarbonylContact C-O 3.54Å; C302-W313 WeakPolarHBondContact CA-O 3.19Å; C302-C329 HydrophobicContact CB-CB 3.74Å; C302-C329 WeakPolarHBondContact CB-SG 3.11Å; C302-C329 WeakPolarHBondContact SG-CB 3.15Å; C302-C329 CovalentContact SG-SG 2.01Å; C302-C329 PolarHBondContact SG-SG 3.43Å
303	T	82.8	Confident	79.4	Confident	14 Å²	14	57.6 Å²	57.6	9%	0.086	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-125	156.8	-179.4	-169.8	0	0	0	0	109.8	F292 Y299 D305 W313	F292-T303 HydrophobicContact CZ-CG2 3.96Å; Y299-T303 HydrophobicContact CD1-CG2 3.85Å; Y299-T303 HydrophobicContact CE1-CG2 3.97Å; Y299-T303 WeakPolarHBondContact CE1-OG1 3.43Å; Y299-T303 HydrophobicContact CG-CG2 4.22Å; T303-D305 HydrophobicContact CG2-CB 4.04Å; T303-D305 VanDerWaalsContact OG1-CB 3.27Å; T303-D305 WeakPolarHBondContact OG1-CB 3.36Å; T303-D305 PolarHBondContact OG1-N 2.77Å; T303-D305 PolarHBondContact OG1-OD1 3.36Å; T303-W313 HydrophobicContact CG2-CZ2 4.34Å; T303-W313 PolarHBondContact N-O 3.09Å; T303-W313 PolarHBondContact O-N 2.98Å
304	T	78.1	Confident	79.4	Confident	59 Å²	59	54.5 Å²	54.5	36%	0.362	33%	0.33	S	S	.	.			trans	-96.6	-2.3	164.5	54.3	0	0	0	0	110.9	G306 R307 G310 R312	T304-G306 PolarHBondContact O-N 2.96Å; T304-R307 CarbonylContact O-C 3.55Å; T304-R307 WeakPolarHBondContact O-CA 3.22Å; T304-R307 WeakPolarHBondContact O-CB 3.42Å; T304-R307 PolarHBondContact O-N 3.44Å; T304-G310 VanDerWaalsContact CG2-O 3.24Å; T304-G310 WeakPolarHBondContact CG2-O 3.44Å; T304-R312 HydrophobicContact CG2-CG 4.05Å
305	D	78.3	Confident	79.4	Confident	66 Å²	66	53.8 Å²	53.8	35%	0.353	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	138.4	-175.7	-72.8	-0.6	0	0	0	111.6	F294 Y299 T303 R307 W313	F294-D305 HydrophobicContact CD1-CB 4.38Å; F294-D305 HydrophobicContact CE1-CB 4.21Å; F294-D305 VanDerWaalsContact CE1-O 3.3Å; F294-D305 WeakPolarHBondContact CE1-O 3.37Å; Y299-D305 HydrophobicContact CE1-CB 4.11Å; Y299-D305 WeakPolarHBondContact CE1-OD2 3.38Å; Y299-D305 WeakPolarHBondContact OH-CB 3.49Å; Y299-D305 PolarHBondContact OH-OD2 3.21Å; T303-D305 HydrophobicContact CG2-CB 4.04Å; T303-D305 VanDerWaalsContact OG1-CB 3.27Å; T303-D305 WeakPolarHBondContact OG1-CB 3.36Å; T303-D305 PolarHBondContact OG1-N 2.77Å; T303-D305 PolarHBondContact OG1-OD1 3.36Å; D305-R307 PolarHBondContact O-N 3.13Å; D305-W313 PolarHBondContact O-NE1 2.96Å
306	G	76.3	Confident	79.5	Confident	63 Å²	63	47.8 Å²	47.8	65%	0.649	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	-1.3	-173.7	0	0	0	0	0	114.4	T304	T304-G306 PolarHBondContact O-N 2.96Å
307	R	63	Low	79.9	Confident	64 Å²	64	46 Å²	46	24%	0.242	28%	0.276	C	S	.	.			trans	-119	149.2	172.7	-56	-163.2	71.1	90.1	3.2	110.7	T304 D305 D309 W313 F328	T304-R307 CarbonylContact O-C 3.55Å; T304-R307 WeakPolarHBondContact O-CA 3.22Å; T304-R307 WeakPolarHBondContact O-CB 3.42Å; T304-R307 PolarHBondContact O-N 3.44Å; D305-R307 PolarHBondContact O-N 3.13Å; R307-D309 WeakPolarHBondContact CB-OD1 3.45Å; R307-D309 IonicContact CZ-OD1 3.62Å; R307-D309 IonicContact CZ-OD2 3.71Å; R307-D309 IonicContact NE-OD1 3.31Å; R307-D309 PolarHBondContact NE-OD1 2.76Å; R307-D309 VanDerWaalsContact NE-OD1 3.07Å; R307-D309 IonicContact NE-OD2 2.71Å; R307-D309 PolarHBondContact NE-OD2 3.04Å; R307-D309 IonicContact NH2-OD1 3.8Å; R307-D309 IonicContact NH2-OD2 3.86Å; R307-D309 PolarHBondContact NH2-OD2 2.82Å; R307-W313 VanDerWaalsContact CG-CD1 3.45Å; R307-W313 HydrophobicContact CG-CG 4.26Å; R307-F328 VanDerWaalsContact CZ-CZ 3.47Å
308	S	42	Very low	80	Confident	30 Å²	30	43.1 Å²	43.1	21%	0.21	27%	0.273	C	S	.	.	S	Bend	trans	-128.4	7.7	-176.6	52.2	0	0	0	0	111.4	R599 K603	S308-R599 PolarHBondContact O-NE 3.38Å; S308-R599 PolarHBondContact O-NH2 3.22Å; S308-R599 PolarHBondContact OG-NH1 2.94Å; S308-R599 VanDerWaalsContact OG-NH1 3.16Å; S308-R599 PolarHBondContact OG-NH2 3.04Å; S308-K603 WeakPolarHBondContact O-CB 3.38Å; S308-K603 WeakPolarHBondContact O-CD 3.17Å; S308-K603 WeakPolarHBondContact O-CG 3.48Å
309	D	46.5	Very low	80.1	Confident	32 Å²	32	40.5 Å²	40.5	17%	0.171	25%	0.252	C	S	.	.	S	Bend	trans	-86.4	-14.1	165.6	47.2	24.2	0	0	0	112.2	R307 Y311	R307-D309 WeakPolarHBondContact CB-OD1 3.45Å; R307-D309 IonicContact CZ-OD1 3.62Å; R307-D309 IonicContact CZ-OD2 3.71Å; R307-D309 IonicContact NE-OD1 3.31Å; R307-D309 PolarHBondContact NE-OD1 2.76Å; R307-D309 VanDerWaalsContact NE-OD1 3.07Å; R307-D309 IonicContact NE-OD2 2.71Å; R307-D309 PolarHBondContact NE-OD2 3.04Å; R307-D309 IonicContact NH2-OD1 3.8Å; R307-D309 IonicContact NH2-OD2 3.86Å; R307-D309 PolarHBondContact NH2-OD2 2.82Å; D309-Y311 HydrophobicContact CB-CD2 3.84Å; D309-Y311 HydrophobicContact CB-CE2 4.4Å; D309-Y311 PolarHBondContact OD1-N 3.05Å
310	G	54.4	Low	80.3	Confident	33 Å²	33	41.3 Å²	41.3	34%	0.34	26%	0.255	S	S	.	.			trans	83.6	-2.2	-179.5	0	0	0	0	0	113.7	T304 R312	T304-G310 VanDerWaalsContact CG2-O 3.24Å; T304-G310 WeakPolarHBondContact CG2-O 3.44Å; G310-R312 PolarHBondContact O-N 3.49Å
311	Y	61.4	Low	80.4	Confident	98 Å²	98	39.3 Å²	39.3	38%	0.384	24%	0.238	S	C	.	.			trans	-67.8	125.9	175.7	-77.3	-68.8	0	0	0	110.6	E130 D309 W313 F328	E130-Y311 WeakPolarHBondContact OE1-CE1 3.3Å; D309-Y311 HydrophobicContact CB-CD2 3.84Å; D309-Y311 HydrophobicContact CB-CE2 4.4Å; D309-Y311 PolarHBondContact OD1-N 3.05Å; Y311-W313 PolarHBondContact O-N 2.96Å; Y311-F328 HydrophobicContact CG-CD1 4.34Å; Y311-F328 HydrophobicContact CG-CE1 4.35Å
312	R	79.3	Confident	80.7	Confident	56 Å²	56	43.9 Å²	43.9	21%	0.211	25%	0.25	C	S	.	.			trans	-67.9	128.7	172.9	-61.8	-174.4	-56.6	176.4	5.4	108.7	C302 T304 G310 C329 P330 L346	C302-R312 HydrophobicContact CB-CB 3.95Å; T304-R312 HydrophobicContact CG2-CG 4.05Å; G310-R312 PolarHBondContact O-N 3.49Å; R312-C329 HydrophobicContact CB-CB 4Å; R312-C329 PolarHBondContact O-N 2.72Å; R312-P330 PolarHBondContact NH2-O 2.96Å; R312-P330 VanDerWaalsContact NH2-O 3.14Å; R312-L346 VanDerWaalsContact NH1-CD1 3.29Å
313	W	89.2	Confident	81	Confident	5 Å²	5	46.4 Å²	46.4	2%	0.019	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	164.8	178.5	76.9	-79.4	0	0	0	110.4	F292 F294 C302 T303 D305 R307 Y311 Y320 Y326 G327 F328	F292-W313 AromaticContact CE2-CH2 3.96Å; F292-W313 HydrophobicContact CE2-CH2 3.96Å; F292-W313 HydrophobicContact CE2-CZ2 4.48Å; F292-W313 HydrophobicContact CE2-CZ3 4.14Å; F294-W313 HydrophobicContact CB-CH2 4.16Å; F294-W313 HydrophobicContact CB-CZ2 4.4Å; F294-W313 HydrophobicContact CD1-CH2 4.29Å; F294-W313 AromaticContact CD1-CZ2 3.73Å; F294-W313 HydrophobicContact CD1-CZ2 3.73Å; F294-W313 AromaticContact CD2-CH2 3.89Å; F294-W313 HydrophobicContact CD2-CH2 3.89Å; F294-W313 HydrophobicContact CD2-CZ2 4Å; F294-W313 AromaticContact CE1-CZ2 3.9Å; F294-W313 HydrophobicContact CE1-CZ2 3.9Å; F294-W313 HydrophobicContact CE2-CH2 4.3Å; F294-W313 HydrophobicContact CE2-CZ2 4.12Å; F294-W313 AromaticContact CG-CH2 3.85Å; F294-W313 HydrophobicContact CG-CH2 3.85Å; F294-W313 AromaticContact CG-CZ2 3.77Å; F294-W313 HydrophobicContact CG-CZ2 3.77Å; F294-W313 HydrophobicContact CZ-CZ2 4.07Å; C302-W313 CarbonylContact C-O 3.54Å; C302-W313 WeakPolarHBondContact CA-O 3.19Å; T303-W313 HydrophobicContact CG2-CZ2 4.34Å; T303-W313 PolarHBondContact N-O 3.09Å; T303-W313 PolarHBondContact O-N 2.98Å; D305-W313 PolarHBondContact O-NE1 2.96Å; R307-W313 VanDerWaalsContact CG-CD1 3.45Å; R307-W313 HydrophobicContact CG-CG 4.26Å; Y311-W313 PolarHBondContact O-N 2.96Å; W313-Y320 AromaticContact CH2-CD1 3.85Å; W313-Y320 HydrophobicContact CH2-CD1 3.85Å; W313-Y320 AromaticContact CH2-CD2 3.75Å; W313-Y320 HydrophobicContact CH2-CD2 3.75Å; W313-Y320 AromaticContact CH2-CE1 4Å; W313-Y320 HydrophobicContact CH2-CE1 4Å; W313-Y320 AromaticContact CH2-CE2 3.94Å; W313-Y320 HydrophobicContact CH2-CE2 3.94Å; W313-Y320 AromaticContact CH2-CG 3.66Å; W313-Y320 HydrophobicContact CH2-CG 3.66Å; W313-Y320 HydrophobicContact CZ3-CD1 4.42Å; W313-Y320 AromaticContact CZ3-CD2 3.46Å; W313-Y320 HydrophobicContact CZ3-CD2 3.46Å; W313-Y320 VanDerWaalsContact CZ3-CD2 3.46Å; W313-Y320 AromaticContact CZ3-CE2 3.69Å; W313-Y320 HydrophobicContact CZ3-CE2 3.69Å; W313-Y320 AromaticContact CZ3-CG 3.83Å; W313-Y320 HydrophobicContact CZ3-CG 3.83Å; W313-Y326 HydrophobicContact CE3-CD2 4.21Å; W313-Y326 HydrophobicContact CE3-CG 4.28Å; W313-G327 WeakPolarHBondContact CA-O 3.45Å; W313-F328 HydrophobicContact CB-CD1 4.09Å; W313-F328 HydrophobicContact CB-CE1 4.47Å
314	C	94.8	Very high	81.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	157.4	174.3	68	0	0	0	0	110.3	T278 C288 F290 F292 Y326 G327	T278-C314 VanDerWaalsContact CG2-SG 3.55Å; C288-C314 WeakPolarHBondContact CA-SG 3.38Å; C288-C314 HydrophobicContact CB-CB 3.55Å; C288-C314 WeakPolarHBondContact CB-SG 3.48Å; C288-C314 WeakPolarHBondContact SG-CB 3.44Å; C288-C314 CovalentContact SG-SG 1.98Å; C288-C314 PolarHBondContact SG-SG 2.81Å; F290-C314 HydrophobicContact CE1-CB 4.24Å; F290-C314 HydrophobicContact CZ-CB 4.23Å; F292-C314 HydrophobicContact CD1-CB 4.4Å; F292-C314 HydrophobicContact CE1-CB 3.8Å; F292-C314 HydrophobicContact CZ-CB 4.38Å; C314-Y326 WeakPolarHBondContact O-CA 3.21Å; C314-Y326 WeakPolarHBondContact O-CB 3.45Å; C314-G327 PolarHBondContact N-O 2.84Å; C314-G327 VanDerWaalsContact N-O 3.09Å; C314-G327 PolarHBondContact O-N 3.38Å
315	A	96.4	Very high	82.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	145.2	163.7	0	0	0	0	0	110.1	C288 Q289 F292 T317 L325	C288-A315 WeakPolarHBondContact CA-O 3.38Å; Q289-A315 PolarHBondContact N-O 3.3Å; F292-A315 HydrophobicContact CB-CB 3.5Å; F292-A315 HydrophobicContact CD1-CB 4.1Å; F292-A315 HydrophobicContact CD2-CB 3.41Å; F292-A315 VanDerWaalsContact CD2-CB 3.41Å; F292-A315 HydrophobicContact CE2-CB 4.1Å; F292-A315 HydrophobicContact CG-CB 3.4Å; F292-A315 VanDerWaalsContact CG-CB 3.4Å; A315-T317 VanDerWaalsContact C-N 3.31Å; A315-T317 WeakPolarHBondContact CB-O 3.31Å; A315-L325 WeakPolarHBondContact CA-O 3.17Å
316	T	95.9	Very high	83.1	Confident	16 Å²	16	49.4 Å²	49.4	10%	0.098	27%	0.267	C	S	.	.	S	Bend	trans	-96.3	9.1	170.9	58.6	0	0	0	0	111.9	T278 A283 K286 P287 L325	T278-T316 HydrophobicContact CG2-CG2 4.21Å; A283-T316 HydrophobicContact CB-CG2 3.46Å; A283-T316 VanDerWaalsContact CB-CG2 3.46Å; A283-T316 WeakPolarHBondContact CB-OG1 3.43Å; K286-T316 HydrophobicContact CB-CG2 4.09Å; K286-T316 WeakPolarHBondContact O-CG2 3.34Å; P287-T316 WeakPolarHBondContact O-CB 3.24Å; P287-T316 WeakPolarHBondContact O-CG2 3.07Å; T316-L325 PolarHBondContact N-O 2.83Å; T316-L325 WeakPolarHBondContact OG1-CB 3.26Å
317	T	96.1	Very high	83.8	Confident	27 Å²	27	46.4 Å²	46.4	17%	0.166	24%	0.236	C	C	.	.	S	Bend	trans	-134.7	168.5	173	70.9	0	0	0	0	110.7	F292 A315 N319 D323 L325	F292-T317 WeakPolarHBondContact CB-O 3.32Å; A315-T317 VanDerWaalsContact C-N 3.31Å; A315-T317 WeakPolarHBondContact CB-O 3.31Å; T317-N319 PolarHBondContact O-N 3.18Å; T317-D323 WeakPolarHBondContact CB-OD2 3.43Å; T317-D323 HydrophobicContact CG2-CB 4.02Å; T317-D323 WeakPolarHBondContact OG1-CB 3.34Å; T317-D323 PolarHBondContact OG1-OD2 3.19Å; T317-L325 HydrophobicContact CG2-CB 4.07Å; T317-L325 HydrophobicContact CG2-CD1 3.88Å; T317-L325 HydrophobicContact CG2-CG 4.5Å
318	A	96.3	Very high	84.9	Confident	60 Å²	60	44.7 Å²	44.7	50%	0.496	23%	0.23	S	C	.	.	S	Bend	trans	-67	-21.2	-176.6	0	0	0	0	0	113	Q289 F292 I293	Q289-A318 HydrophobicContact CG-CB 4.35Å; F292-A318 WeakPolarHBondContact CA-O 3.42Å; I293-A318 PolarHBondContact N-O 3.1Å
319	N	95.9	Very high	86.9	Confident	27 Å²	27	43.7 Å²	43.7	14%	0.144	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-142.3	99.2	-178	-168	-24.8	0	0	0	111.6	I293 T317 D321 Q322 D323	I293-N319 HydrophobicContact CB-CB 4.41Å; T317-N319 PolarHBondContact O-N 3.18Å; N319-D321 PolarHBondContact O-N 3.16Å; N319-D321 WeakPolarHBondContact OD1-CA 3.1Å; N319-D321 VanDerWaalsContact OD1-CB 3.28Å; N319-D321 WeakPolarHBondContact OD1-CB 3.42Å; N319-D321 PolarHBondContact OD1-N 3.16Å; N319-Q322 HydrophobicContact CB-CB 4.34Å; N319-Q322 HydrophobicContact CB-CG 4.4Å; N319-Q322 PolarHBondContact O-N 3.16Å; N319-Q322 PolarHBondContact OD1-N 2.92Å; N319-D323 PolarHBondContact O-N 3.26Å
320	Y	95.4	Very high	88.6	Confident	47 Å²	47	42.1 Å²	42.1	18%	0.184	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-33	175.1	175	-91.3	0	0	0	112.2	I293 F294 W313 Q322 K324 Y326	I293-Y320 WeakPolarHBondContact O-CB 3.48Å; I293-Y320 PolarHBondContact O-N 3.43Å; F294-Y320 AromaticContact CD2-CD1 3.37Å; F294-Y320 HydrophobicContact CD2-CD1 3.37Å; F294-Y320 AromaticContact CD2-CE1 3.66Å; F294-Y320 HydrophobicContact CD2-CE1 3.66Å; F294-Y320 HydrophobicContact CD2-CG 4.31Å; F294-Y320 AromaticContact CE2-CD1 3.86Å; F294-Y320 HydrophobicContact CE2-CD1 3.86Å; F294-Y320 AromaticContact CE2-CE1 3.63Å; F294-Y320 HydrophobicContact CE2-CE1 3.63Å; F294-Y320 HydrophobicContact CG-CD1 4.35Å; W313-Y320 AromaticContact CH2-CD1 3.85Å; W313-Y320 HydrophobicContact CH2-CD1 3.85Å; W313-Y320 AromaticContact CH2-CD2 3.75Å; W313-Y320 HydrophobicContact CH2-CD2 3.75Å; W313-Y320 AromaticContact CH2-CE1 4Å; W313-Y320 HydrophobicContact CH2-CE1 4Å; W313-Y320 AromaticContact CH2-CE2 3.94Å; W313-Y320 HydrophobicContact CH2-CE2 3.94Å; W313-Y320 AromaticContact CH2-CG 3.66Å; W313-Y320 HydrophobicContact CH2-CG 3.66Å; W313-Y320 HydrophobicContact CZ3-CD1 4.42Å; W313-Y320 AromaticContact CZ3-CD2 3.46Å; W313-Y320 HydrophobicContact CZ3-CD2 3.46Å; W313-Y320 VanDerWaalsContact CZ3-CD2 3.46Å; W313-Y320 AromaticContact CZ3-CE2 3.69Å; W313-Y320 HydrophobicContact CZ3-CE2 3.69Å; W313-Y320 AromaticContact CZ3-CG 3.83Å; W313-Y320 HydrophobicContact CZ3-CG 3.83Å; Y320-Q322 PolarHBondContact O-N 3.34Å; Y320-Q322 VanDerWaalsContact O-N 3.17Å; Y320-K324 HydrophobicContact CE1-CD 4.35Å; Y320-K324 WeakPolarHBondContact O-CA 3.2Å; Y320-K324 WeakPolarHBondContact O-CD 3.4Å; Y320-K324 PolarHBondContact O-N 2.88Å; Y320-Y326 HydrophobicContact CE2-CD1 4Å; Y320-Y326 HydrophobicContact CE2-CG 4.11Å
321	D	91.6	Very high	89.5	Confident	53 Å²	53	42.5 Å²	42.5	28%	0.283	21%	0.211	S	C	.	.	H	α-helix	trans	-61.5	-27.8	-178.8	-64	-33.5	0	0	0	112.3	Q295 G296 N319 K324	Q295-D321 WeakPolarHBondContact CA-OD2 3.33Å; Q295-D321 PolarHBondContact N-OD1 2.99Å; Q295-D321 PolarHBondContact N-OD2 2.99Å; G296-D321 PolarHBondContact N-OD2 2.9Å; N319-D321 PolarHBondContact O-N 3.16Å; N319-D321 WeakPolarHBondContact OD1-CA 3.1Å; N319-D321 VanDerWaalsContact OD1-CB 3.28Å; N319-D321 WeakPolarHBondContact OD1-CB 3.42Å; N319-D321 PolarHBondContact OD1-N 3.16Å; D321-K324 VanDerWaalsContact CA-NZ 3.33Å; D321-K324 WeakPolarHBondContact O-CE 3.46Å; D321-K324 PolarHBondContact O-NZ 3.33Å
322	Q	94.3	Very high	90.2	Very high	146 Å²	146	40.3 Å²	40.3	68%	0.682	20%	0.202	S	C	*	.	H	α-helix	trans	-92.6	-54.9	176.9	-66.7	178.6	-5.1	0	0	112	N319 Y320	N319-Q322 HydrophobicContact CB-CB 4.34Å; N319-Q322 HydrophobicContact CB-CG 4.4Å; N319-Q322 PolarHBondContact O-N 3.16Å; N319-Q322 PolarHBondContact OD1-N 2.92Å; Y320-Q322 PolarHBondContact O-N 3.34Å; Y320-Q322 VanDerWaalsContact O-N 3.17Å
323	D	93.4	Very high	89.9	Confident	78 Å²	78	38.2 Å²	38.2	42%	0.417	20%	0.196	S	C	.	.	H	α-helix	trans	-87.3	-22.5	-165.9	-56.2	-42.3	0	0	0	113.2	T317 N319 L325	T317-D323 WeakPolarHBondContact CB-OD2 3.43Å; T317-D323 HydrophobicContact CG2-CB 4.02Å; T317-D323 WeakPolarHBondContact OG1-CB 3.34Å; T317-D323 PolarHBondContact OG1-OD2 3.19Å; N319-D323 PolarHBondContact O-N 3.26Å; D323-L325 PolarHBondContact O-N 2.95Å
324	K	94.3	Very high	89.2	Confident	98 Å²	98	38.3 Å²	38.3	43%	0.426	20%	0.198	S	C	.	.			trans	54.5	21.4	-177.6	-52.3	-66.5	169.3	-155.5	0	114.5	N282 Y320 D321	N282-K324 PolarHBondContact ND2-O 2.89Å; N282-K324 PolarHBondContact OD1-O 3.12Å; Y320-K324 HydrophobicContact CE1-CD 4.35Å; Y320-K324 WeakPolarHBondContact O-CA 3.2Å; Y320-K324 WeakPolarHBondContact O-CD 3.4Å; Y320-K324 PolarHBondContact O-N 2.88Å; D321-K324 VanDerWaalsContact CA-NZ 3.33Å; D321-K324 WeakPolarHBondContact O-CE 3.46Å; D321-K324 PolarHBondContact O-NZ 3.33Å
325	L	93.8	Very high	88.4	Confident	56 Å²	56	39 Å²	39	29%	0.293	20%	0.203	S	C	.	.			trans	-93	125.2	176.3	-68.7	179.8	0	0	0	110.7	N282 A315 T316 T317 D323	N282-L325 WeakPolarHBondContact OD1-CA 3.43Å; A315-L325 WeakPolarHBondContact CA-O 3.17Å; T316-L325 PolarHBondContact N-O 2.83Å; T316-L325 WeakPolarHBondContact OG1-CB 3.26Å; T317-L325 HydrophobicContact CG2-CB 4.07Å; T317-L325 HydrophobicContact CG2-CD1 3.88Å; T317-L325 HydrophobicContact CG2-CG 4.5Å; D323-L325 PolarHBondContact O-N 2.95Å
326	Y	94.5	Very high	87.7	Confident	49 Å²	49	40 Å²	40	19%	0.192	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	163	-177.7	80.6	-77.1	0	0	0	112.4	N282 A283 W313 C314 Y320 F328	N282-Y326 PolarHBondContact N-O 2.76Å; N282-Y326 VanDerWaalsContact N-O 3.09Å; N282-Y326 VanDerWaalsContact OD1-CD1 3.27Å; N282-Y326 WeakPolarHBondContact OD1-CD1 3.23Å; N282-Y326 PolarHBondContact OD1-N 3.32Å; N282-Y326 PolarHBondContact OD1-O 2.88Å; A283-Y326 VanDerWaalsContact CB-O 3.23Å; A283-Y326 WeakPolarHBondContact CB-O 3.36Å; A283-Y326 PolarHBondContact N-O 3.01Å; W313-Y326 HydrophobicContact CE3-CD2 4.21Å; W313-Y326 HydrophobicContact CE3-CG 4.28Å; C314-Y326 WeakPolarHBondContact O-CA 3.21Å; C314-Y326 WeakPolarHBondContact O-CB 3.45Å; Y320-Y326 HydrophobicContact CE2-CD1 4Å; Y320-Y326 HydrophobicContact CE2-CG 4.11Å; Y326-F328 HydrophobicContact CE2-CD2 4.41Å; Y326-F328 AromaticContact CE2-CE2 3.84Å; Y326-F328 HydrophobicContact CE2-CE2 3.84Å; Y326-F328 AromaticContact CE2-CZ 3.94Å; Y326-F328 HydrophobicContact CE2-CZ 3.94Å
327	G	90.3	Very high	86.9	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	168.5	165.5	0	0	0	0	0	111.1	W313 C314	W313-G327 WeakPolarHBondContact CA-O 3.45Å; C314-G327 PolarHBondContact N-O 2.84Å; C314-G327 VanDerWaalsContact N-O 3.09Å; C314-G327 PolarHBondContact O-N 3.38Å
328	F	86.3	Confident	86	Confident	27 Å²	27	38.8 Å²	38.8	12%	0.118	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	142.8	179.3	-63.8	-82.7	0	0	0	111.1	T278 Q279 D280 R307 Y311 W313 Y326	T278-F328 CarbonylContact C-O 3.54Å; T278-F328 VanDerWaalsContact CA-O 3.26Å; T278-F328 WeakPolarHBondContact CA-O 3.37Å; T278-F328 WeakPolarHBondContact CB-O 3.42Å; Q279-F328 PolarHBondContact N-O 2.66Å; Q279-F328 WeakPolarHBondContact O-CB 3.32Å; Q279-F328 WeakPolarHBondContact O-CD2 3.41Å; Q279-F328 PolarHBondContact O-N 2.62Å; D280-F328 HydrophobicContact CB-CD2 3.89Å; D280-F328 HydrophobicContact CB-CE2 4.26Å; R307-F328 VanDerWaalsContact CZ-CZ 3.47Å; Y311-F328 HydrophobicContact CG-CD1 4.34Å; Y311-F328 HydrophobicContact CG-CE1 4.35Å; W313-F328 HydrophobicContact CB-CD1 4.09Å; W313-F328 HydrophobicContact CB-CE1 4.47Å; Y326-F328 HydrophobicContact CE2-CD2 4.41Å; Y326-F328 AromaticContact CE2-CE2 3.84Å; Y326-F328 HydrophobicContact CE2-CE2 3.84Å; Y326-F328 AromaticContact CE2-CZ 3.94Å; Y326-F328 HydrophobicContact CE2-CZ 3.94Å
329	C	85.7	Confident	85	Confident	9 Å²	9	36.6 Å²	36.6	6%	0.061	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-82	127.7	-177.6	-62	0	0	0	0	109.6	E274 C302 R312	E274-C329 HydrophobicContact CB-CB 3.93Å; C302-C329 HydrophobicContact CB-CB 3.74Å; C302-C329 WeakPolarHBondContact CB-SG 3.11Å; C302-C329 WeakPolarHBondContact SG-CB 3.15Å; C302-C329 CovalentContact SG-SG 2.01Å; C302-C329 PolarHBondContact SG-SG 3.43Å; R312-C329 HydrophobicContact CB-CB 4Å; R312-C329 PolarHBondContact O-N 2.72Å
330	P	80.6	Confident	84.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-54.9	142.2	178.5	-23.2	31.9	0	0	0	112.3	P272 Y277 Q279 R312	P272-P330 HydrophobicContact CB-CB 3.57Å; Y277-P330 HydrophobicContact CD1-CG 4.43Å; Y277-P330 HydrophobicContact CD2-CG 4.1Å; Y277-P330 HydrophobicContact CE1-CG 3.96Å; Y277-P330 HydrophobicContact CE2-CB 4.34Å; Y277-P330 HydrophobicContact CE2-CG 3.6Å; Y277-P330 HydrophobicContact CG-CG 4.49Å; Y277-P330 VanDerWaalsContact CZ-CG 3.5Å; Y277-P330 WeakPolarHBondContact O-CD 3.39Å; Q279-P330 HydrophobicContact CG-CG 4.38Å; R312-P330 PolarHBondContact NH2-O 2.96Å; R312-P330 VanDerWaalsContact NH2-O 3.14Å
331	T	74.2	Confident	83.2	Confident	41 Å²	41	37.1 Å²	37.1	25%	0.252	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-68.2	134.1	174.4	-51.5	0	0	0	0	109.9	E130	E130-T331 HydrophobicContact CB-CG2 4.44Å
332	R	76.6	Confident	82.7	Confident	51 Å²	51	34.7 Å²	34.7	19%	0.192	18%	0.184	C	C	.	.			trans	-105.4	69.2	172.8	-63.9	-155.5	-58.2	-136.9	13.3	109.3	P272 E274 D334 S335 T336 L346	P272-R332 WeakPolarHBondContact O-CG 3.46Å; E274-R332 IonicContact OE2-NH1 2.98Å; R332-D334 PolarHBondContact O-N 3.35Å; R332-S335 PolarHBondContact O-N 2.97Å; R332-T336 PolarHBondContact O-N 3.47Å; R332-T336 PolarHBondContact O-OG1 3.25Å; R332-L346 HydrophobicContact CB-CD2 3.92Å
333	A	72.9	Confident	81.8	Confident	12 Å²	12	30.7 Å²	30.7	10%	0.099	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-23	-174.4	0	0	0	0	0	113.1	V216 S335 P389	V216-A333 HydrophobicContact CG1-CB 3.53Å; A333-S335 VanDerWaalsContact C-N 3.3Å; A333-S335 PolarHBondContact O-N 3.27Å; A333-P389 WeakPolarHBondContact O-CG 3.46Å
334	D	74.3	Confident	80.7	Confident	8 Å²	8	29.2 Å²	29.2	4%	0.043	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.3	176.3	62.8	-67.5	0	0	0	114.5	V216 V218 F232 A243 C244 R332	V216-D334 HydrophobicContact CG1-CB 4.45Å; V218-D334 HydrophobicContact CG2-CB 3.83Å; F232-D334 HydrophobicContact CE2-CB 4.22Å; F232-D334 HydrophobicContact CZ-CB 4.26Å; A243-D334 HydrophobicContact CB-CB 4.22Å; A243-D334 WeakPolarHBondContact CB-O 3.48Å; C244-D334 VanDerWaalsContact CB-OD2 3.27Å; C244-D334 WeakPolarHBondContact CB-OD2 3.27Å; C244-D334 PolarHBondContact N-OD2 3.25Å; C244-D334 PolarHBondContact SG-OD2 2.88Å; R332-D334 PolarHBondContact O-N 3.35Å
335	S	76.8	Confident	80	Confident	15 Å²	15	28 Å²	28	11%	0.105	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-6.8	-174.9	-64.7	0	0	0	0	113.1	R332 A333 L346 C347	R332-S335 PolarHBondContact O-N 2.97Å; A333-S335 VanDerWaalsContact C-N 3.3Å; A333-S335 PolarHBondContact O-N 3.27Å; S335-L346 WeakPolarHBondContact O-CA 3.44Å; S335-C347 PolarHBondContact O-N 3.45Å
336	T	81.4	Confident	79.5	Confident	20 Å²	20	27 Å²	27	12%	0.123	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-76.1	133.7	174.8	-63.1	0	0	0	0	109.2	R332 G344 E345 P389	R332-T336 PolarHBondContact O-N 3.47Å; R332-T336 PolarHBondContact O-OG1 3.25Å; T336-G344 VanDerWaalsContact CG2-CA 3.45Å; T336-E345 CarbonylContact C-O 3.39Å; T336-E345 WeakPolarHBondContact CA-O 3.44Å; T336-P389 WeakPolarHBondContact O-CG 3.44Å
337	V	80.7	Confident	79.1	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.006	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-82.2	142.6	177.1	-55.2	0	0	0	0	111.5	S342 A343 G344 E345 C373 T375 F387	V337-S342 WeakPolarHBondContact CG2-O 3.5Å; V337-A343 WeakPolarHBondContact O-CA 3.33Å; V337-G344 PolarHBondContact O-N 2.79Å; V337-E345 PolarHBondContact N-O 2.78Å; V337-C373 WeakPolarHBondContact CG1-SG 3.28Å; V337-T375 HydrophobicContact CB-CG2 4.42Å; V337-T375 HydrophobicContact CG1-CG2 3.83Å; V337-T375 HydrophobicContact CG2-CG2 3.66Å; V337-F387 CarbonylContact C-O 3.5Å; V337-F387 WeakPolarHBondContact CA-O 3.15Å; V337-F387 WeakPolarHBondContact CB-O 3.27Å
338	I	76.6	Confident	78.9	Confident	17 Å²	17	27.9 Å²	27.9	9%	0.087	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-102.3	142.1	175.2	-54.8	122.9	0	0	0	108.8	K184 D207 L209 F387 P389	K184-I338 HydrophobicContact CD-CB 4.28Å; K184-I338 HydrophobicContact CD-CG2 3.85Å; D207-I338 WeakPolarHBondContact O-CG2 3.41Å; L209-I338 HydrophobicContact CB-CD1 3.81Å; L209-I338 HydrophobicContact CB-CG1 4.44Å; L209-I338 HydrophobicContact CD1-CD1 4.09Å; L209-I338 HydrophobicContact CD2-CD1 4.03Å; L209-I338 HydrophobicContact CG-CD1 4.19Å; I338-F387 PolarHBondContact N-O 3.36Å; I338-F387 VanDerWaalsContact O-CB 3.31Å; I338-F387 WeakPolarHBondContact O-CB 3.48Å; I338-F387 WeakPolarHBondContact O-CD2 3.32Å; I338-F387 PolarHBondContact O-N 3.09Å; I338-P389 HydrophobicContact CD1-CB 4.37Å; I338-P389 HydrophobicContact CD1-CG 4.31Å
339	G	75.9	Confident	78.8	Confident	14 Å²	14	30.5 Å²	30.5	14%	0.144	19%	0.191	C	C	.	.	S	Bend	trans	56.3	-151.1	-179.7	0	0	0	0	0	114.4	A343	G339-A343 WeakPolarHBondContact O-CA 3.18Å; G339-A343 WeakPolarHBondContact O-CB 3.43Å; G339-A343 PolarHBondContact O-N 3.12Å
340	G	76.3	Confident	79	Confident	29 Å²	29	33.2 Å²	33.2	30%	0.299	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	-147.1	-172.6	0	0	0	0	0	112
341	N	76.9	Confident	79.6	Confident	55 Å²	55	33.2 Å²	33.2	29%	0.294	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	12.8	179.1	68.9	5.3	0	0	0	113.3	K383 K384 W385	N341-K383 PolarHBondContact ND2-O 3.32Å; N341-K384 PolarHBondContact O-NZ 3.33Å; N341-W385 PolarHBondContact N-O 3.39Å; N341-W385 PolarHBondContact OD1-N 2.98Å; N341-W385 PolarHBondContact OD1-O 2.93Å
342	S	81.2	Confident	80.5	Confident	3 Å²	3	33.1 Å²	33.1	2%	0.021	21%	0.208	C	C	.	.	S	Bend	trans	-140.6	21.9	-175.4	-47.4	0	0	0	0	111.9	V337 G344 E345 T375 K384 W385	V337-S342 WeakPolarHBondContact CG2-O 3.5Å; S342-G344 PolarHBondContact O-N 3.41Å; S342-E345 WeakPolarHBondContact O-CB 3.16Å; S342-E345 WeakPolarHBondContact O-CG 3.46Å; S342-E345 PolarHBondContact O-N 2.8Å; S342-T375 WeakPolarHBondContact CB-OG1 3.34Å; S342-T375 PolarHBondContact OG-OG1 2.87Å; S342-K384 WeakPolarHBondContact OG-CD 3.35Å; S342-W385 VanDerWaalsContact CB-O 3.27Å; S342-W385 WeakPolarHBondContact CB-O 3.31Å; S342-W385 PolarHBondContact N-O 3.34Å; S342-W385 PolarHBondContact OG-N 3.1Å; S342-W385 PolarHBondContact OG-O 3.2Å
343	A	74	Confident	81.4	Confident	61 Å²	61	30.7 Å²	30.7	50%	0.504	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.6	131.2	176.5	0	0	0	0	0	111.2	V337 G339 E345	V337-A343 WeakPolarHBondContact O-CA 3.33Å; G339-A343 WeakPolarHBondContact O-CA 3.18Å; G339-A343 WeakPolarHBondContact O-CB 3.43Å; G339-A343 PolarHBondContact O-N 3.12Å; A343-E345 VanDerWaalsContact C-N 3.32Å; A343-E345 PolarHBondContact O-N 3.1Å
344	G	71.3	Confident	82.3	Confident	47 Å²	47	33.8 Å²	33.8	49%	0.485	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	-11	-176	0	0	0	0	0	115.3	T336 V337 S342	T336-G344 VanDerWaalsContact CG2-CA 3.45Å; V337-G344 PolarHBondContact O-N 2.79Å; S342-G344 PolarHBondContact O-N 3.41Å
345	E	79.2	Confident	83	Confident	73 Å²	73	36.5 Å²	36.5	34%	0.341	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-83.1	161.8	171.1	-60.9	179.7	-166.7	0	0	111.3	T336 V337 S342 A343 T375 K384	T336-E345 CarbonylContact C-O 3.39Å; T336-E345 WeakPolarHBondContact CA-O 3.44Å; V337-E345 PolarHBondContact N-O 2.78Å; S342-E345 WeakPolarHBondContact O-CB 3.16Å; S342-E345 WeakPolarHBondContact O-CG 3.46Å; S342-E345 PolarHBondContact O-N 2.8Å; A343-E345 VanDerWaalsContact C-N 3.32Å; A343-E345 PolarHBondContact O-N 3.1Å; E345-T375 HydrophobicContact CB-CG2 3.83Å; E345-T375 WeakPolarHBondContact OE2-CB 3.35Å; E345-T375 PolarHBondContact OE2-OG1 2.89Å; E345-K384 IonicContact OE1-NZ 3.22Å; E345-K384 PolarHBondContact OE1-NZ 3.36Å
346	L	82.9	Confident	83.7	Confident	36 Å²	36	39.7 Å²	39.7	19%	0.188	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-90.5	145.5	178.5	-66.7	165	0	0	0	111.1	R312 R332 S335 V348 T375	R312-L346 VanDerWaalsContact NH1-CD1 3.29Å; R332-L346 HydrophobicContact CB-CD2 3.92Å; S335-L346 WeakPolarHBondContact O-CA 3.44Å; L346-V348 PolarHBondContact O-N 2.87Å; L346-T375 WeakPolarHBondContact O-CA 3.48Å; L346-T375 WeakPolarHBondContact O-CB 3.33Å
347	C	86.1	Confident	84.1	Confident	17 Å²	17	45.5 Å²	45.5	12%	0.115	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-55.3	137.7	164	-66.4	0	0	0	0	110.8	S335 F349 C373	S335-C347 PolarHBondContact O-N 3.45Å; C347-F349 HydrophobicContact CB-CD2 4.06Å; C347-F349 HydrophobicContact CB-CE1 4.45Å; C347-F349 HydrophobicContact CB-CE2 3.4Å; C347-F349 HydrophobicContact CB-CZ 3.63Å; C347-C373 WeakPolarHBondContact CA-SG 3.36Å; C347-C373 HydrophobicContact CB-CB 3.81Å; C347-C373 WeakPolarHBondContact CB-SG 3.39Å; C347-C373 WeakPolarHBondContact SG-CB 3.23Å; C347-C373 CovalentContact SG-SG 2.02Å; C347-C373 PolarHBondContact SG-SG 3.14Å
348	V	87.9	Confident	84.3	Confident	49 Å²	49	46.7 Å²	46.7	30%	0.297	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-103.9	117.8	170.2	173	0	0	0	0	108.4	L346 F351 A374 T375	L346-V348 PolarHBondContact O-N 2.87Å; V348-F351 WeakPolarHBondContact O-CB 3.33Å; V348-F351 WeakPolarHBondContact O-CD1 3.23Å; V348-A374 PolarHBondContact N-O 3.02Å; V348-T375 VanDerWaalsContact CG2-O 3.22Å; V348-T375 WeakPolarHBondContact CG2-O 3.32Å
349	F	84.1	Confident	84.6	Confident	83 Å²	83	48.9 Å²	48.9	36%	0.364	30%	0.302	S	S	.	.	S	Bend	trans	-116.4	135.8	173.3	-61.5	-63.4	0	0	0	110.6	C347 F351 S359 T360 C373	C347-F349 HydrophobicContact CB-CD2 4.06Å; C347-F349 HydrophobicContact CB-CE1 4.45Å; C347-F349 HydrophobicContact CB-CE2 3.4Å; C347-F349 HydrophobicContact CB-CZ 3.63Å; F349-F351 AromaticContact CD1-CD1 3.98Å; F349-F351 HydrophobicContact CD1-CD1 3.98Å; F349-F351 HydrophobicContact CD1-CE1 4.22Å; F349-F351 HydrophobicContact CE1-CD1 4.04Å; F349-F351 AromaticContact CE1-CE1 3.84Å; F349-F351 HydrophobicContact CE1-CE1 3.84Å; F349-S359 WeakPolarHBondContact CD1-O 3.37Å; F349-T360 VanDerWaalsContact CE1-CA 3.44Å; F349-C373 HydrophobicContact CE1-CB 4.13Å; F349-C373 HydrophobicContact CZ-CB 4.01Å
350	P	89.2	Confident	84.9	Confident	65 Å²	65	51.8 Å²	51.8	42%	0.422	32%	0.318	S	S	.	.	S	Bend	cis	-73.5	154.2	-10.4	30.7	-33.6	0	0	0	113	E357 Y358	P350-E357 HydrophobicContact CB-CG 3.54Å; P350-E357 WeakPolarHBondContact CB-OE1 3.41Å; P350-E357 HydrophobicContact CG-CG 4.35Å; P350-E357 VanDerWaalsContact CG-OE1 3.32Å; P350-E357 WeakPolarHBondContact CG-OE1 3.34Å; P350-Y358 CarbonylContact C-O 3.57Å; P350-Y358 WeakPolarHBondContact CA-O 3.29Å
351	F	92.6	Very high	85.5	Confident	1 Å²	1	51.8 Å²	51.8	0%	0.004	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.1	169.8	72.2	-90.8	0	0	0	112.8	V348 F349 F353 E357 Y358 T362 W372 C373 A374 T376 S377	V348-F351 WeakPolarHBondContact O-CB 3.33Å; V348-F351 WeakPolarHBondContact O-CD1 3.23Å; F349-F351 AromaticContact CD1-CD1 3.98Å; F349-F351 HydrophobicContact CD1-CD1 3.98Å; F349-F351 HydrophobicContact CD1-CE1 4.22Å; F349-F351 HydrophobicContact CE1-CD1 4.04Å; F349-F351 AromaticContact CE1-CE1 3.84Å; F349-F351 HydrophobicContact CE1-CE1 3.84Å; F351-F353 HydrophobicContact CD2-CB 4.22Å; F351-F353 HydrophobicContact CE2-CB 3.85Å; F351-E357 CarbonylContact O-C 3.2Å; F351-E357 WeakPolarHBondContact O-CA 3.46Å; F351-Y358 HydrophobicContact CD2-CD2 4.39Å; F351-Y358 HydrophobicContact CE1-CG 4.49Å; F351-Y358 AromaticContact CE2-CD2 3.94Å; F351-Y358 HydrophobicContact CE2-CD2 3.94Å; F351-Y358 HydrophobicContact CE2-CG 4.22Å; F351-Y358 HydrophobicContact CZ-CD2 4.23Å; F351-Y358 HydrophobicContact CZ-CG 4.03Å; F351-Y358 PolarHBondContact N-O 3.33Å; F351-Y358 PolarHBondContact O-N 2.9Å; F351-T362 HydrophobicContact CZ-CG2 4.18Å; F351-W372 AromaticContact CE2-CH2 3.92Å; F351-W372 HydrophobicContact CE2-CH2 3.92Å; F351-W372 HydrophobicContact CE2-CZ3 4.03Å; F351-W372 HydrophobicContact CZ-CH2 4.49Å; F351-W372 HydrophobicContact CZ-CZ3 4.38Å; F351-C373 HydrophobicContact CE1-CB 3.9Å; F351-C373 HydrophobicContact CZ-CB 4.44Å; F351-A374 HydrophobicContact CB-CB 3.69Å; F351-A374 HydrophobicContact CD1-CB 4.13Å; F351-A374 HydrophobicContact CD2-CB 3.4Å; F351-A374 VanDerWaalsContact CD2-CB 3.4Å; F351-A374 HydrophobicContact CE2-CB 4Å; F351-A374 HydrophobicContact CG-CB 3.48Å; F351-A374 VanDerWaalsContact CG-CB 3.48Å; F351-T376 WeakPolarHBondContact CB-O 3.24Å; F351-S377 WeakPolarHBondContact CA-O 2.8Å
352	T	93.8	Very high	86.1	Confident	38 Å²	38	50.1 Å²	50.1	23%	0.233	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	129.2	175.5	-50.9	0	0	0	0	112.4	K356 S377 F379	T352-K356 CarbonylContact C-O 3.48Å; T352-K356 VanDerWaalsContact CA-O 3.3Å; T352-K356 WeakPolarHBondContact CA-O 3.48Å; T352-S377 PolarHBondContact N-O 2.89Å; T352-F379 WeakPolarHBondContact O-CB 3.12Å; T352-F379 PolarHBondContact O-N 3.11Å
353	F	94.8	Very high	86.5	Confident	1 Å²	1	52.5 Å²	52.5	0%	0.004	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	129.8	170.9	169.5	-117.3	0	0	0	111.2	V29 F31 F351 G355 K356 Y358 E364 W372 F379	V29-F353 HydrophobicContact CG2-CZ 4.11Å; F31-F353 HydrophobicContact CZ-CZ 4.38Å; F351-F353 HydrophobicContact CD2-CB 4.22Å; F351-F353 HydrophobicContact CE2-CB 3.85Å; F353-G355 PolarHBondContact O-N 3.38Å; F353-K356 PolarHBondContact N-O 3.34Å; F353-K356 PolarHBondContact O-N 3.35Å; F353-Y358 HydrophobicContact CB-CD2 4.05Å; F353-Y358 HydrophobicContact CB-CE2 3.7Å; F353-Y358 AromaticContact CD1-CE2 3.99Å; F353-Y358 HydrophobicContact CD1-CE2 3.99Å; F353-Y358 HydrophobicContact CG-CE2 4.34Å; F353-Y358 WeakPolarHBondContact O-CE2 3.33Å; F353-E364 HydrophobicContact CE1-CB 4.15Å; F353-E364 HydrophobicContact CE1-CG 4.08Å; F353-E364 WeakPolarHBondContact CE1-O 3.46Å; F353-W372 HydrophobicContact CB-CH2 4.06Å; F353-W372 HydrophobicContact CB-CZ2 4.44Å; F353-W372 HydrophobicContact CD1-CH2 4.08Å; F353-W372 AromaticContact CD1-CZ2 3.61Å; F353-W372 HydrophobicContact CD1-CZ2 3.61Å; F353-W372 AromaticContact CD2-CH2 3.74Å; F353-W372 HydrophobicContact CD2-CH2 3.74Å; F353-W372 AromaticContact CD2-CZ2 3.92Å; F353-W372 HydrophobicContact CD2-CZ2 3.92Å; F353-W372 HydrophobicContact CE1-CH2 4.44Å; F353-W372 AromaticContact CE1-CZ2 3.66Å; F353-W372 HydrophobicContact CE1-CZ2 3.66Å; F353-W372 HydrophobicContact CE2-CH2 4.1Å; F353-W372 AromaticContact CE2-CZ2 3.93Å; F353-W372 HydrophobicContact CE2-CZ2 3.93Å; F353-W372 AromaticContact CG-CH2 3.7Å; F353-W372 HydrophobicContact CG-CH2 3.7Å; F353-W372 AromaticContact CG-CZ2 3.73Å; F353-W372 HydrophobicContact CG-CZ2 3.73Å; F353-W372 HydrophobicContact CZ-CH2 4.43Å; F353-W372 AromaticContact CZ-CZ2 3.8Å; F353-W372 HydrophobicContact CZ-CZ2 3.8Å; F353-F379 HydrophobicContact CB-CB 4.42Å; F353-F379 AromaticContact CD2-CD1 3.39Å; F353-F379 HydrophobicContact CD2-CD1 3.39Å; F353-F379 AromaticContact CD2-CE1 3.78Å; F353-F379 HydrophobicContact CD2-CE1 3.78Å; F353-F379 HydrophobicContact CD2-CG 4.18Å; F353-F379 AromaticContact CE2-CD1 3.86Å; F353-F379 HydrophobicContact CE2-CD1 3.86Å; F353-F379 AromaticContact CE2-CE1 3.72Å; F353-F379 HydrophobicContact CE2-CE1 3.72Å; F353-F379 HydrophobicContact CG-CD1 4.44Å
354	L	91.6	Very high	87.2	Confident	77 Å²	77	52.2 Å²	52.2	40%	0.403	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	39	-172.4	-59.8	177.9	0	0	0	112.8	V29 K356 D380	V29-L354 HydrophobicContact CG2-CD1 4.44Å; L354-K356 PolarHBondContact O-N 3.12Å; L354-D380 WeakPolarHBondContact CA-OD2 3.35Å; L354-D380 VanDerWaalsContact N-CG 3.26Å; L354-D380 PolarHBondContact N-OD1 2.83Å; L354-D380 PolarHBondContact N-OD2 3.38Å
355	G	89.4	Confident	87.8	Confident	65 Å²	65	50.1 Å²	50.1	67%	0.67	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	10.4	-178.3	0	0	0	0	0	115.5	F353 D380	F353-G355 PolarHBondContact O-N 3.38Å; G355-D380 PolarHBondContact N-OD2 3.5Å
356	K	92	Very high	87.9	Confident	81 Å²	81	47.8 Å²	47.8	35%	0.352	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	147.8	172.2	-62	177.3	-168.3	157.9	0	110.6	T352 F353 L354 Y358 E364	T352-K356 CarbonylContact C-O 3.48Å; T352-K356 VanDerWaalsContact CA-O 3.3Å; T352-K356 WeakPolarHBondContact CA-O 3.48Å; F353-K356 PolarHBondContact N-O 3.34Å; F353-K356 PolarHBondContact O-N 3.35Å; L354-K356 PolarHBondContact O-N 3.12Å; K356-Y358 HydrophobicContact CB-CE2 3.79Å; K356-Y358 WeakPolarHBondContact O-CD2 3.42Å; K356-Y358 WeakPolarHBondContact O-CE2 3.25Å; K356-E364 IonicContact NZ-OE1 2.71Å; K356-E364 PolarHBondContact NZ-OE1 3.32Å; K356-E364 IonicContact NZ-OE2 3.22Å; K356-E364 PolarHBondContact NZ-OE2 3.31Å
357	E	90.9	Very high	87.4	Confident	142 Å²	142	55.9 Å²	55.9	66%	0.664	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	134	177.3	-165.3	179	127.6	0	0	111	P350 F351	P350-E357 HydrophobicContact CB-CG 3.54Å; P350-E357 WeakPolarHBondContact CB-OE1 3.41Å; P350-E357 HydrophobicContact CG-CG 4.35Å; P350-E357 VanDerWaalsContact CG-OE1 3.32Å; P350-E357 WeakPolarHBondContact CG-OE1 3.34Å; F351-E357 CarbonylContact O-C 3.2Å; F351-E357 WeakPolarHBondContact O-CA 3.46Å
358	Y	84.6	Confident	86.7	Confident	26 Å²	26	58.4 Å²	58.4	10%	0.102	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129	179	-61.9	-95.4	0	0	0	109.7	P350 F351 F353 K356 T362 E364	P350-Y358 CarbonylContact C-O 3.57Å; P350-Y358 WeakPolarHBondContact CA-O 3.29Å; F351-Y358 HydrophobicContact CD2-CD2 4.39Å; F351-Y358 HydrophobicContact CE1-CG 4.49Å; F351-Y358 AromaticContact CE2-CD2 3.94Å; F351-Y358 HydrophobicContact CE2-CD2 3.94Å; F351-Y358 HydrophobicContact CE2-CG 4.22Å; F351-Y358 HydrophobicContact CZ-CD2 4.23Å; F351-Y358 HydrophobicContact CZ-CG 4.03Å; F351-Y358 PolarHBondContact N-O 3.33Å; F351-Y358 PolarHBondContact O-N 2.9Å; F353-Y358 HydrophobicContact CB-CD2 4.05Å; F353-Y358 HydrophobicContact CB-CE2 3.7Å; F353-Y358 AromaticContact CD1-CE2 3.99Å; F353-Y358 HydrophobicContact CD1-CE2 3.99Å; F353-Y358 HydrophobicContact CG-CE2 4.34Å; F353-Y358 WeakPolarHBondContact O-CE2 3.33Å; K356-Y358 HydrophobicContact CB-CE2 3.79Å; K356-Y358 WeakPolarHBondContact O-CD2 3.42Å; K356-Y358 WeakPolarHBondContact O-CE2 3.25Å; Y358-T362 HydrophobicContact CD1-CG2 3.87Å; Y358-T362 HydrophobicContact CE1-CG2 3.93Å; Y358-T362 HydrophobicContact CG-CG2 4.38Å; Y358-E364 PolarHBondContact OH-OE1 2.76Å; Y358-E364 PolarHBondContact OH-OE2 3.24Å
359	S	82.1	Confident	86.1	Confident	63 Å²	63	58.2 Å²	58.2	44%	0.441	32%	0.324	S	S	.	.	S	Bend	trans	-106.6	3.3	175.7	51	0	0	0	0	113.2	F349	F349-S359 WeakPolarHBondContact CD1-O 3.37Å
360	T	82.9	Confident	86	Confident	76 Å²	76	57.9 Å²	57.9	47%	0.466	32%	0.321	S	S	.	.	S	Bend	trans	-146.1	167.7	177.3	56.6	0	0	0	0	109.1	F349	F349-T360 VanDerWaalsContact CE1-CA 3.44Å
361	C	88.9	Confident	86	Confident	29 Å²	29	59 Å²	59	20%	0.196	32%	0.323	C	S	.	.			trans	-61.8	146.7	175.1	-57.4	0	0	0	0	111.9	L371 W372 C388	C361-L371 HydrophobicContact CB-CB 4.01Å; C361-W372 WeakPolarHBondContact CA-O 3.5Å; C361-C388 HydrophobicContact CB-CB 3.66Å; C361-C388 WeakPolarHBondContact CB-SG 3.17Å; C361-C388 WeakPolarHBondContact SG-CB 3.23Å; C361-C388 CovalentContact SG-SG 2.01Å; C361-C388 PolarHBondContact SG-SG 3.41Å
362	T	88.9	Confident	85.9	Confident	20 Å²	20	58.9 Å²	58.9	12%	0.123	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-133.9	152.9	-176.9	-173.7	0	0	0	0	110.7	F351 Y358 E364 W372	F351-T362 HydrophobicContact CZ-CG2 4.18Å; Y358-T362 HydrophobicContact CD1-CG2 3.87Å; Y358-T362 HydrophobicContact CE1-CG2 3.93Å; Y358-T362 HydrophobicContact CG-CG2 4.38Å; T362-E364 HydrophobicContact CG2-CB 4.36Å; T362-E364 WeakPolarHBondContact OG1-CB 3.37Å; T362-E364 PolarHBondContact OG1-N 3.16Å; T362-E364 VanDerWaalsContact OG1-N 3.1Å; T362-W372 HydrophobicContact CG2-CZ2 4.25Å; T362-W372 PolarHBondContact N-O 3.25Å; T362-W372 PolarHBondContact O-N 3.24Å; T362-W372 PolarHBondContact O-NE1 3.13Å
363	S	89.3	Confident	85.8	Confident	52 Å²	52	57.1 Å²	57.1	36%	0.364	31%	0.311	S	S	.	.			trans	-98.6	3.4	167.2	53.8	0	0	0	0	112.1	G365 R366	S363-G365 PolarHBondContact O-N 2.83Å; S363-R366 PolarHBondContact O-N 2.93Å
364	E	88.6	Confident	85.7	Confident	56 Å²	56	57 Å²	57	26%	0.262	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	131	179.2	-166.6	165.6	154.9	0	0	109.8	F353 K356 Y358 T362 W372	F353-E364 HydrophobicContact CE1-CB 4.15Å; F353-E364 HydrophobicContact CE1-CG 4.08Å; F353-E364 WeakPolarHBondContact CE1-O 3.46Å; K356-E364 IonicContact NZ-OE1 2.71Å; K356-E364 PolarHBondContact NZ-OE1 3.32Å; K356-E364 IonicContact NZ-OE2 3.22Å; K356-E364 PolarHBondContact NZ-OE2 3.31Å; Y358-E364 PolarHBondContact OH-OE1 2.76Å; Y358-E364 PolarHBondContact OH-OE2 3.24Å; T362-E364 HydrophobicContact CG2-CB 4.36Å; T362-E364 WeakPolarHBondContact OG1-CB 3.37Å; T362-E364 PolarHBondContact OG1-N 3.16Å; T362-E364 VanDerWaalsContact OG1-N 3.1Å; E364-W372 PolarHBondContact O-NE1 2.79Å
365	G	83.7	Confident	85.6	Confident	3 Å²	3	54 Å²	54	3%	0.031	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.1	-15.9	-173.7	0	0	0	0	0	114.9	T27 L28 V29 S363	T27-G365 WeakPolarHBondContact O-CA 3.45Å; L28-G365 WeakPolarHBondContact CD1-O 3.47Å; V29-G365 PolarHBondContact N-O 3.49Å; S363-G365 PolarHBondContact O-N 2.83Å
366	R	81.9	Confident	85.6	Confident	24 Å²	24	52.3 Å²	52.3	9%	0.091	27%	0.272	C	S	.	.			trans	-113.5	158.7	-175.2	-54.8	-166.6	65.4	87.1	1.1	113.7	F31 D34 S363 D368	F31-R366 HydrophobicContact CD2-CG 4.22Å; F31-R366 HydrophobicContact CE2-CG 3.58Å; F31-R366 HydrophobicContact CZ-CG 4.18Å; D34-R366 IonicContact OD2-CZ 3.61Å; D34-R366 IonicContact OD2-NH1 3.86Å; D34-R366 PolarHBondContact OD2-NH1 2.88Å; D34-R366 IonicContact OD2-NH2 3.92Å; D34-R366 PolarHBondContact OD2-NH2 3.14Å; S363-R366 PolarHBondContact O-N 2.93Å; R366-D368 WeakPolarHBondContact CB-OD1 3.31Å; R366-D368 IonicContact CZ-OD1 3.42Å; R366-D368 IonicContact CZ-OD2 2.7Å; R366-D368 IonicContact NE-OD1 3.35Å; R366-D368 PolarHBondContact NE-OD1 2.8Å; R366-D368 IonicContact NE-OD2 3.82Å; R366-D368 PolarHBondContact NE-OD2 3.29Å; R366-D368 IonicContact NH2-OD1 2.99Å; R366-D368 IonicContact NH2-OD2 2.8Å; R366-D368 PolarHBondContact NH2-OD2 2.68Å
367	R	71.7	Confident	85.6	Confident	206 Å²	206	51.6 Å²	51.6	78%	0.777	28%	0.278	S	S	*	.	S	Bend	trans	-108.2	-24.5	177.1	-85.8	-179	-172.6	178.5	10.7	114.2	L28 G369	L28-R367 HydrophobicContact CD1-CB 4.43Å; L28-R367 HydrophobicContact CD1-CG 3.83Å; R367-G369 VanDerWaalsContact C-N 3.28Å
368	D	71.4	Confident	85.7	Confident	69 Å²	69	46.9 Å²	46.9	37%	0.369	26%	0.257	S	S	.	.	S	Bend	trans	-76.6	-17	179.3	46.4	28.6	0	0	0	112.8	R366 Y370	R366-D368 WeakPolarHBondContact CB-OD1 3.31Å; R366-D368 IonicContact CZ-OD1 3.42Å; R366-D368 IonicContact CZ-OD2 2.7Å; R366-D368 IonicContact NE-OD1 3.35Å; R366-D368 PolarHBondContact NE-OD1 2.8Å; R366-D368 IonicContact NE-OD2 3.82Å; R366-D368 PolarHBondContact NE-OD2 3.29Å; R366-D368 IonicContact NH2-OD1 2.99Å; R366-D368 IonicContact NH2-OD2 2.8Å; R366-D368 PolarHBondContact NH2-OD2 2.68Å; D368-Y370 VanDerWaalsContact C-N 3.33Å; D368-Y370 HydrophobicContact CB-CD2 3.63Å; D368-Y370 HydrophobicContact CB-CE2 3.82Å; D368-Y370 PolarHBondContact OD1-N 2.94Å
369	G	75.9	Confident	86.1	Confident	45 Å²	45	45.8 Å²	45.8	46%	0.464	25%	0.253	S	S	.	.			trans	86.6	1	177	0	0	0	0	0	114	R367 L371	R367-G369 VanDerWaalsContact C-N 3.28Å; G369-L371 PolarHBondContact O-N 3.44Å
370	Y	82.3	Confident	86.5	Confident	76 Å²	76	45.2 Å²	45.2	30%	0.298	25%	0.245	S	C	.	.			trans	-61.9	137.5	176.7	-70.6	-71.2	0	0	0	111.4	D185 D368 F387	D185-Y370 WeakPolarHBondContact OD2-CE1 3.41Å; D185-Y370 PolarHBondContact OD2-OH 2.87Å; D368-Y370 VanDerWaalsContact C-N 3.33Å; D368-Y370 HydrophobicContact CB-CD2 3.63Å; D368-Y370 HydrophobicContact CB-CE2 3.82Å; D368-Y370 PolarHBondContact OD1-N 2.94Å; Y370-F387 HydrophobicContact CD2-CE1 4.43Å; Y370-F387 HydrophobicContact CG-CD1 4.37Å; Y370-F387 HydrophobicContact CG-CE1 4.16Å
371	L	88.7	Confident	86.9	Confident	88 Å²	88	49.3 Å²	49.3	46%	0.461	25%	0.252	S	S	.	.			trans	-82.1	136.9	175.9	-63.2	179	0	0	0	109.7	C361 G369 F387 C388	C361-L371 HydrophobicContact CB-CB 4.01Å; G369-L371 PolarHBondContact O-N 3.44Å; L371-F387 WeakPolarHBondContact O-CA 3.41Å; L371-C388 HydrophobicContact CB-CB 4.31Å; L371-C388 PolarHBondContact O-N 2.81Å
372	W	90.2	Very high	86.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	162.2	179.3	74.3	-86.5	0	0	0	111.4	F31 F351 F353 C361 T362 E364 A374 F379 W385 G386 C388	F31-W372 AromaticContact CE1-CD2 3.79Å; F31-W372 HydrophobicContact CE1-CD2 3.79Å; F31-W372 AromaticContact CE1-CE2 3.55Å; F31-W372 HydrophobicContact CE1-CE3 4.02Å; F31-W372 HydrophobicContact CE1-CG 4.46Å; F31-W372 AromaticContact CE1-CH2 3.85Å; F31-W372 HydrophobicContact CE1-CH2 3.85Å; F31-W372 AromaticContact CE1-CZ2 3.59Å; F31-W372 HydrophobicContact CE1-CZ2 3.59Å; F31-W372 HydrophobicContact CE1-CZ3 4.06Å; F31-W372 HydrophobicContact CZ-CD2 4.06Å; F31-W372 AromaticContact CZ-CE2 3.44Å; F31-W372 VanDerWaalsContact CZ-CE2 3.44Å; F31-W372 HydrophobicContact CZ-CH2 4.31Å; F31-W372 AromaticContact CZ-CZ2 3.6Å; F31-W372 HydrophobicContact CZ-CZ2 3.6Å; F31-W372 AromaticContact CZ-NE1 3.52Å; F351-W372 AromaticContact CE2-CH2 3.92Å; F351-W372 HydrophobicContact CE2-CH2 3.92Å; F351-W372 HydrophobicContact CE2-CZ3 4.03Å; F351-W372 HydrophobicContact CZ-CH2 4.49Å; F351-W372 HydrophobicContact CZ-CZ3 4.38Å; F353-W372 HydrophobicContact CB-CH2 4.06Å; F353-W372 HydrophobicContact CB-CZ2 4.44Å; F353-W372 HydrophobicContact CD1-CH2 4.08Å; F353-W372 AromaticContact CD1-CZ2 3.61Å; F353-W372 HydrophobicContact CD1-CZ2 3.61Å; F353-W372 AromaticContact CD2-CH2 3.74Å; F353-W372 HydrophobicContact CD2-CH2 3.74Å; F353-W372 AromaticContact CD2-CZ2 3.92Å; F353-W372 HydrophobicContact CD2-CZ2 3.92Å; F353-W372 HydrophobicContact CE1-CH2 4.44Å; F353-W372 AromaticContact CE1-CZ2 3.66Å; F353-W372 HydrophobicContact CE1-CZ2 3.66Å; F353-W372 HydrophobicContact CE2-CH2 4.1Å; F353-W372 AromaticContact CE2-CZ2 3.93Å; F353-W372 HydrophobicContact CE2-CZ2 3.93Å; F353-W372 AromaticContact CG-CH2 3.7Å; F353-W372 HydrophobicContact CG-CH2 3.7Å; F353-W372 AromaticContact CG-CZ2 3.73Å; F353-W372 HydrophobicContact CG-CZ2 3.73Å; F353-W372 HydrophobicContact CZ-CH2 4.43Å; F353-W372 AromaticContact CZ-CZ2 3.8Å; F353-W372 HydrophobicContact CZ-CZ2 3.8Å; C361-W372 WeakPolarHBondContact CA-O 3.5Å; T362-W372 HydrophobicContact CG2-CZ2 4.25Å; T362-W372 PolarHBondContact N-O 3.25Å; T362-W372 PolarHBondContact O-N 3.24Å; T362-W372 PolarHBondContact O-NE1 3.13Å; E364-W372 PolarHBondContact O-NE1 2.79Å; W372-A374 HydrophobicContact CZ3-CB 4.47Å; W372-F379 HydrophobicContact CH2-CB 4.36Å; W372-F379 HydrophobicContact CH2-CD1 4.14Å; W372-F379 AromaticContact CH2-CD2 3.86Å; W372-F379 HydrophobicContact CH2-CD2 3.86Å; W372-F379 HydrophobicContact CH2-CE1 4.36Å; W372-F379 HydrophobicContact CH2-CE2 4.14Å; W372-F379 AromaticContact CH2-CG 3.84Å; W372-F379 HydrophobicContact CH2-CG 3.84Å; W372-F379 HydrophobicContact CH2-CZ 4.36Å; W372-F379 HydrophobicContact CZ3-CB 4.48Å; W372-F379 AromaticContact CZ3-CD2 3.58Å; W372-F379 HydrophobicContact CZ3-CD2 3.58Å; W372-F379 AromaticContact CZ3-CE2 3.9Å; W372-F379 HydrophobicContact CZ3-CE2 3.9Å; W372-F379 AromaticContact CZ3-CG 3.99Å; W372-F379 HydrophobicContact CZ3-CG 3.99Å; W372-W385 HydrophobicContact CB-CE3 3.8Å; W372-W385 HydrophobicContact CB-CZ3 4Å; W372-W385 HydrophobicContact CD2-CE3 4.26Å; W372-W385 HydrophobicContact CE3-CB 3.76Å; W372-W385 HydrophobicContact CE3-CE3 4.12Å; W372-W385 HydrophobicContact CE3-CG 4.45Å; W372-W385 HydrophobicContact CG-CE3 4.14Å; W372-W385 HydrophobicContact CG-CZ3 4.47Å; W372-W385 HydrophobicContact CZ3-CB 3.91Å; W372-G386 WeakPolarHBondContact CA-O 3.16Å; W372-G386 WeakPolarHBondContact CB-O 3Å; W372-C388 VanDerWaalsContact C-SG 3.56Å
373	C	91.9	Very high	87	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	159.8	172.8	70.7	0	0	0	0	110.7	V337 C347 F349 F351 W385 G386 C388	V337-C373 WeakPolarHBondContact CG1-SG 3.28Å; C347-C373 WeakPolarHBondContact CA-SG 3.36Å; C347-C373 HydrophobicContact CB-CB 3.81Å; C347-C373 WeakPolarHBondContact CB-SG 3.39Å; C347-C373 WeakPolarHBondContact SG-CB 3.23Å; C347-C373 CovalentContact SG-SG 2.02Å; C347-C373 PolarHBondContact SG-SG 3.14Å; F349-C373 HydrophobicContact CE1-CB 4.13Å; F349-C373 HydrophobicContact CZ-CB 4.01Å; F351-C373 HydrophobicContact CE1-CB 3.9Å; F351-C373 HydrophobicContact CZ-CB 4.44Å; C373-W385 WeakPolarHBondContact O-CA 3.43Å; C373-W385 WeakPolarHBondContact O-CB 3.33Å; C373-G386 PolarHBondContact N-O 3.19Å; C373-G386 VanDerWaalsContact N-O 3.15Å; C373-G386 PolarHBondContact O-N 3.39Å; C373-C388 VanDerWaalsContact CB-SG 3.58Å
374	A	92.8	Very high	86.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	146	167.4	0	0	0	0	0	110.5	V348 F351 W372 T376 F379 K384	V348-A374 PolarHBondContact N-O 3.02Å; F351-A374 HydrophobicContact CB-CB 3.69Å; F351-A374 HydrophobicContact CD1-CB 4.13Å; F351-A374 HydrophobicContact CD2-CB 3.4Å; F351-A374 VanDerWaalsContact CD2-CB 3.4Å; F351-A374 HydrophobicContact CE2-CB 4Å; F351-A374 HydrophobicContact CG-CB 3.48Å; F351-A374 VanDerWaalsContact CG-CB 3.48Å; W372-A374 HydrophobicContact CZ3-CB 4.47Å; A374-T376 VanDerWaalsContact C-N 3.3Å; A374-T376 WeakPolarHBondContact CB-O 3.48Å; A374-F379 HydrophobicContact CB-CB 3.88Å; A374-F379 HydrophobicContact CB-CD2 4.47Å; A374-K384 WeakPolarHBondContact CA-O 3.11Å
375	T	89.7	Confident	87	Confident	12 Å²	12	52.2 Å²	52.2	7%	0.074	25%	0.254	C	S	.	.	S	Bend	trans	-96.4	9.4	173.1	64.1	0	0	0	0	111.9	V337 S342 E345 L346 V348 K384	V337-T375 HydrophobicContact CB-CG2 4.42Å; V337-T375 HydrophobicContact CG1-CG2 3.83Å; V337-T375 HydrophobicContact CG2-CG2 3.66Å; S342-T375 WeakPolarHBondContact CB-OG1 3.34Å; S342-T375 PolarHBondContact OG-OG1 2.87Å; E345-T375 HydrophobicContact CB-CG2 3.83Å; E345-T375 WeakPolarHBondContact OE2-CB 3.35Å; E345-T375 PolarHBondContact OE2-OG1 2.89Å; L346-T375 WeakPolarHBondContact O-CA 3.48Å; L346-T375 WeakPolarHBondContact O-CB 3.33Å; V348-T375 VanDerWaalsContact CG2-O 3.22Å; V348-T375 WeakPolarHBondContact CG2-O 3.32Å; T375-K384 PolarHBondContact N-O 2.98Å
376	T	90.2	Very high	87.1	Confident	30 Å²	30	52 Å²	52	18%	0.184	25%	0.253	C	S	.	.	S	Bend	trans	-134.1	166.4	170.2	74.7	0	0	0	0	110.3	F351 A374 N378 D382 K384	F351-T376 WeakPolarHBondContact CB-O 3.24Å; A374-T376 VanDerWaalsContact C-N 3.3Å; A374-T376 WeakPolarHBondContact CB-O 3.48Å; T376-N378 PolarHBondContact O-N 2.77Å; T376-N378 VanDerWaalsContact O-N 3.14Å; T376-N378 PolarHBondContact OG1-N 3.22Å; T376-N378 PolarHBondContact OG1-O 2.86Å; T376-D382 WeakPolarHBondContact CB-OD2 3.45Å; T376-D382 HydrophobicContact CG2-CB 3.99Å; T376-D382 WeakPolarHBondContact OG1-CB 3.22Å; T376-D382 PolarHBondContact OG1-OD2 2.93Å; T376-K384 HydrophobicContact CG2-CB 3.85Å; T376-K384 HydrophobicContact CG2-CG 4.3Å
377	S	91.8	Very high	87.3	Confident	67 Å²	67	51.9 Å²	51.9	47%	0.469	25%	0.253	S	S	.	.	S	Bend	trans	-66.2	-13.6	179.1	56.3	0	0	0	0	114	F351 T352	F351-S377 WeakPolarHBondContact CA-O 2.8Å; T352-S377 PolarHBondContact N-O 2.89Å
378	N	92.3	Very high	88	Confident	43 Å²	43	42.4 Å²	42.4	23%	0.23	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-147.1	99.7	-178.3	-168	-51.8	0	0	0	111.8	T376 D380 R381 D382	T376-N378 PolarHBondContact O-N 2.77Å; T376-N378 VanDerWaalsContact O-N 3.14Å; T376-N378 PolarHBondContact OG1-N 3.22Å; T376-N378 PolarHBondContact OG1-O 2.86Å; N378-D380 VanDerWaalsContact C-N 3.32Å; N378-D380 PolarHBondContact O-N 3.08Å; N378-D380 WeakPolarHBondContact OD1-CA 3.32Å; N378-D380 WeakPolarHBondContact OD1-CB 3.31Å; N378-D380 PolarHBondContact OD1-N 2.84Å; N378-R381 HydrophobicContact CB-CB 4.37Å; N378-R381 PolarHBondContact O-N 3.3Å; N378-R381 PolarHBondContact OD1-N 2.84Å; N378-D382 WeakPolarHBondContact O-CB 3.3Å; N378-D382 PolarHBondContact O-N 2.96Å
379	F	92.9	Very high	88.5	Confident	3 Å²	3	40.6 Å²	40.6	1%	0.013	21%	0.21	C	C	.	.	H	α-helix	trans	-65.2	-36.4	175.5	178.2	-88.2	0	0	0	112.1	F31 T352 F353 W372 A374 R381 D382 K383 W385	F31-F379 HydrophobicContact CD1-CE2 4.12Å; F31-F379 AromaticContact CD1-CZ 3.74Å; F31-F379 HydrophobicContact CD1-CZ 3.74Å; F31-F379 HydrophobicContact CE1-CE1 4.39Å; F31-F379 HydrophobicContact CE1-CE2 4.09Å; F31-F379 AromaticContact CE1-CZ 3.69Å; F31-F379 HydrophobicContact CE1-CZ 3.69Å; T352-F379 WeakPolarHBondContact O-CB 3.12Å; T352-F379 PolarHBondContact O-N 3.11Å; F353-F379 HydrophobicContact CB-CB 4.42Å; F353-F379 AromaticContact CD2-CD1 3.39Å; F353-F379 HydrophobicContact CD2-CD1 3.39Å; F353-F379 AromaticContact CD2-CE1 3.78Å; F353-F379 HydrophobicContact CD2-CE1 3.78Å; F353-F379 HydrophobicContact CD2-CG 4.18Å; F353-F379 AromaticContact CE2-CD1 3.86Å; F353-F379 HydrophobicContact CE2-CD1 3.86Å; F353-F379 AromaticContact CE2-CE1 3.72Å; F353-F379 HydrophobicContact CE2-CE1 3.72Å; F353-F379 HydrophobicContact CG-CD1 4.44Å; W372-F379 HydrophobicContact CH2-CB 4.36Å; W372-F379 HydrophobicContact CH2-CD1 4.14Å; W372-F379 AromaticContact CH2-CD2 3.86Å; W372-F379 HydrophobicContact CH2-CD2 3.86Å; W372-F379 HydrophobicContact CH2-CE1 4.36Å; W372-F379 HydrophobicContact CH2-CE2 4.14Å; W372-F379 AromaticContact CH2-CG 3.84Å; W372-F379 HydrophobicContact CH2-CG 3.84Å; W372-F379 HydrophobicContact CH2-CZ 4.36Å; W372-F379 HydrophobicContact CZ3-CB 4.48Å; W372-F379 AromaticContact CZ3-CD2 3.58Å; W372-F379 HydrophobicContact CZ3-CD2 3.58Å; W372-F379 AromaticContact CZ3-CE2 3.9Å; W372-F379 HydrophobicContact CZ3-CE2 3.9Å; W372-F379 AromaticContact CZ3-CG 3.99Å; W372-F379 HydrophobicContact CZ3-CG 3.99Å; A374-F379 HydrophobicContact CB-CB 3.88Å; A374-F379 HydrophobicContact CB-CD2 4.47Å; F379-R381 PolarHBondContact O-N 2.82Å; F379-D382 PolarHBondContact O-N 3.49Å; F379-K383 HydrophobicContact CD1-CD 4.44Å; F379-K383 HydrophobicContact CE1-CD 4.05Å; F379-K383 HydrophobicContact CZ-CD 4.31Å; F379-K383 WeakPolarHBondContact O-CA 3.34Å; F379-K383 WeakPolarHBondContact O-CD 3.39Å; F379-K383 PolarHBondContact O-N 2.92Å; F379-W385 HydrophobicContact CD2-CB 3.92Å; F379-W385 HydrophobicContact CE2-CB 3.64Å; F379-W385 AromaticContact CE2-CD1 3.81Å; F379-W385 AromaticContact CE2-CG 3.77Å; F379-W385 HydrophobicContact CE2-CG 3.77Å
380	D	89.6	Confident	88.8	Confident	50 Å²	50	41.1 Å²	41.1	27%	0.267	20%	0.202	S	C	.	.	H	α-helix	trans	-58.2	-34.1	-177.2	-68.2	-30	0	0	0	112.1	L354 G355 N378 K383	L354-D380 WeakPolarHBondContact CA-OD2 3.35Å; L354-D380 VanDerWaalsContact N-CG 3.26Å; L354-D380 PolarHBondContact N-OD1 2.83Å; L354-D380 PolarHBondContact N-OD2 3.38Å; G355-D380 PolarHBondContact N-OD2 3.5Å; N378-D380 VanDerWaalsContact C-N 3.32Å; N378-D380 PolarHBondContact O-N 3.08Å; N378-D380 WeakPolarHBondContact OD1-CA 3.32Å; N378-D380 WeakPolarHBondContact OD1-CB 3.31Å; N378-D380 PolarHBondContact OD1-N 2.84Å; D380-K383 WeakPolarHBondContact O-CE 3.38Å; D380-K383 PolarHBondContact O-NZ 3.17Å
381	R	91.6	Very high	88.9	Confident	163 Å²	163	44.1 Å²	44.1	62%	0.615	22%	0.219	S	C	*	.	H	α-helix	trans	-84.4	-53.2	174.7	-175.3	-172.7	67.3	-151.2	-8.3	112.7	N378 F379	N378-R381 HydrophobicContact CB-CB 4.37Å; N378-R381 PolarHBondContact O-N 3.3Å; N378-R381 PolarHBondContact OD1-N 2.84Å; F379-R381 PolarHBondContact O-N 2.82Å
382	D	90.3	Very high	88.9	Confident	55 Å²	55	40.4 Å²	40.4	29%	0.294	20%	0.202	S	C	.	.	H	α-helix	trans	-91.5	-21.6	-163.9	-57.9	-33.8	0	0	0	113.5	T376 N378 F379 K384	T376-D382 WeakPolarHBondContact CB-OD2 3.45Å; T376-D382 HydrophobicContact CG2-CB 3.99Å; T376-D382 WeakPolarHBondContact OG1-CB 3.22Å; T376-D382 PolarHBondContact OG1-OD2 2.93Å; N378-D382 WeakPolarHBondContact O-CB 3.3Å; N378-D382 PolarHBondContact O-N 2.96Å; F379-D382 PolarHBondContact O-N 3.49Å; D382-K384 HydrophobicContact CB-CB 4.32Å; D382-K384 HydrophobicContact CB-CG 4.39Å; D382-K384 PolarHBondContact O-N 2.93Å; D382-K384 VanDerWaalsContact O-N 3.12Å
383	K	90.5	Very high	89.1	Confident	89 Å²	89	41.2 Å²	41.2	39%	0.387	21%	0.205	S	C	.	.			trans	54.2	27.3	-177.8	-53.1	-64.4	172.6	-161	0	114	P32 N341 F379 D380	P32-K383 HydrophobicContact CG-CB 4.38Å; N341-K383 PolarHBondContact ND2-O 3.32Å; F379-K383 HydrophobicContact CD1-CD 4.44Å; F379-K383 HydrophobicContact CE1-CD 4.05Å; F379-K383 HydrophobicContact CZ-CD 4.31Å; F379-K383 WeakPolarHBondContact O-CA 3.34Å; F379-K383 WeakPolarHBondContact O-CD 3.39Å; F379-K383 PolarHBondContact O-N 2.92Å; D380-K383 WeakPolarHBondContact O-CE 3.38Å; D380-K383 PolarHBondContact O-NZ 3.17Å
384	K	87.8	Confident	89.2	Confident	72 Å²	72	41.4 Å²	41.4	31%	0.313	21%	0.206	S	C	.	.			trans	-99.1	119.3	-178	-83	-75.6	-170.8	165.3	0	110.6	N341 S342 E345 A374 T375 T376 D382	N341-K384 PolarHBondContact O-NZ 3.33Å; S342-K384 WeakPolarHBondContact OG-CD 3.35Å; E345-K384 IonicContact OE1-NZ 3.22Å; E345-K384 PolarHBondContact OE1-NZ 3.36Å; A374-K384 WeakPolarHBondContact CA-O 3.11Å; T375-K384 PolarHBondContact N-O 2.98Å; T376-K384 HydrophobicContact CG2-CB 3.85Å; T376-K384 HydrophobicContact CG2-CG 4.3Å; D382-K384 HydrophobicContact CB-CB 4.32Å; D382-K384 HydrophobicContact CB-CG 4.39Å; D382-K384 PolarHBondContact O-N 2.93Å; D382-K384 VanDerWaalsContact O-N 3.12Å
385	W	89.6	Confident	89.4	Confident	1 Å²	1	41.4 Å²	41.4	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	165.4	-173.6	74.3	-65.2	0	0	0	112.9	F31 P32 D34 N341 S342 W372 C373 F379 F387	F31-W385 HydrophobicContact CB-CD2 4.36Å; F31-W385 HydrophobicContact CB-CH2 3.95Å; F31-W385 HydrophobicContact CB-CZ2 3.29Å; F31-W385 AromaticContact CD1-CD2 3.5Å; F31-W385 HydrophobicContact CD1-CD2 3.5Å; F31-W385 AromaticContact CD1-CE2 3.56Å; F31-W385 AromaticContact CD1-CE3 3.87Å; F31-W385 HydrophobicContact CD1-CE3 3.87Å; F31-W385 AromaticContact CD1-CG 3.93Å; F31-W385 HydrophobicContact CD1-CG 3.93Å; F31-W385 HydrophobicContact CD1-CH2 4.32Å; F31-W385 HydrophobicContact CD1-CZ2 4Å; F31-W385 HydrophobicContact CD1-CZ3 4.25Å; F31-W385 AromaticContact CD1-NE1 3.91Å; F31-W385 HydrophobicContact CE1-CD2 4.18Å; F31-W385 HydrophobicContact CE1-CE3 4.25Å; F31-W385 HydrophobicContact CG-CD2 4.23Å; F31-W385 AromaticContact CG-CE2 3.88Å; F31-W385 HydrophobicContact CG-CE3 4.49Å; F31-W385 HydrophobicContact CG-CH2 4.15Å; F31-W385 AromaticContact CG-CZ2 3.86Å; F31-W385 HydrophobicContact CG-CZ2 3.86Å; F31-W385 HydrophobicContact CG-CZ3 4.45Å; P32-W385 PolarHBondContact O-NE1 3.04Å; P32-W385 VanDerWaalsContact O-NE1 3.15Å; D34-W385 HydrophobicContact CB-CZ2 4.4Å; N341-W385 PolarHBondContact N-O 3.39Å; N341-W385 PolarHBondContact OD1-N 2.98Å; N341-W385 PolarHBondContact OD1-O 2.93Å; S342-W385 VanDerWaalsContact CB-O 3.27Å; S342-W385 WeakPolarHBondContact CB-O 3.31Å; S342-W385 PolarHBondContact N-O 3.34Å; S342-W385 PolarHBondContact OG-N 3.1Å; S342-W385 PolarHBondContact OG-O 3.2Å; W372-W385 HydrophobicContact CB-CE3 3.8Å; W372-W385 HydrophobicContact CB-CZ3 4Å; W372-W385 HydrophobicContact CD2-CE3 4.26Å; W372-W385 HydrophobicContact CE3-CB 3.76Å; W372-W385 HydrophobicContact CE3-CE3 4.12Å; W372-W385 HydrophobicContact CE3-CG 4.45Å; W372-W385 HydrophobicContact CG-CE3 4.14Å; W372-W385 HydrophobicContact CG-CZ3 4.47Å; W372-W385 HydrophobicContact CZ3-CB 3.91Å; C373-W385 WeakPolarHBondContact O-CA 3.43Å; C373-W385 WeakPolarHBondContact O-CB 3.33Å; F379-W385 HydrophobicContact CD2-CB 3.92Å; F379-W385 HydrophobicContact CE2-CB 3.64Å; F379-W385 AromaticContact CE2-CD1 3.81Å; F379-W385 AromaticContact CE2-CG 3.77Å; F379-W385 HydrophobicContact CE2-CG 3.77Å; W385-F387 HydrophobicContact CH2-CE1 4Å; W385-F387 AromaticContact CH2-CE2 3.94Å; W385-F387 HydrophobicContact CH2-CE2 3.94Å; W385-F387 AromaticContact CH2-CZ 3.62Å; W385-F387 HydrophobicContact CH2-CZ 3.62Å; W385-F387 HydrophobicContact CZ3-CD1 4.05Å; W385-F387 HydrophobicContact CZ3-CD2 4.48Å; W385-F387 AromaticContact CZ3-CE1 3.77Å; W385-F387 HydrophobicContact CZ3-CE1 3.77Å; W385-F387 HydrophobicContact CZ3-CE2 4.21Å; W385-F387 HydrophobicContact CZ3-CG 4.41Å; W385-F387 AromaticContact CZ3-CZ 3.85Å; W385-F387 HydrophobicContact CZ3-CZ 3.85Å
386	G	86.1	Confident	89.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	179	160.7	0	0	0	0	0	111.3	W372 C373	W372-G386 WeakPolarHBondContact CA-O 3.16Å; W372-G386 WeakPolarHBondContact CB-O 3Å; C373-G386 PolarHBondContact N-O 3.19Å; C373-G386 VanDerWaalsContact N-O 3.15Å; C373-G386 PolarHBondContact O-N 3.39Å
387	F	85.4	Confident	90	Very high	20 Å²	20	41.3 Å²	41.3	9%	0.088	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	136.7	178.8	-63.6	-71.7	0	0	0	110.4	K184 V337 I338 Y370 L371 W385	K184-F387 HydrophobicContact CD-CB 4.25Å; K184-F387 HydrophobicContact CD-CD2 4.02Å; K184-F387 HydrophobicContact CD-CG 4.29Å; V337-F387 CarbonylContact C-O 3.5Å; V337-F387 WeakPolarHBondContact CA-O 3.15Å; V337-F387 WeakPolarHBondContact CB-O 3.27Å; I338-F387 PolarHBondContact N-O 3.36Å; I338-F387 VanDerWaalsContact O-CB 3.31Å; I338-F387 WeakPolarHBondContact O-CB 3.48Å; I338-F387 WeakPolarHBondContact O-CD2 3.32Å; I338-F387 PolarHBondContact O-N 3.09Å; Y370-F387 HydrophobicContact CD2-CE1 4.43Å; Y370-F387 HydrophobicContact CG-CD1 4.37Å; Y370-F387 HydrophobicContact CG-CE1 4.16Å; L371-F387 WeakPolarHBondContact O-CA 3.41Å; W385-F387 HydrophobicContact CH2-CE1 4Å; W385-F387 AromaticContact CH2-CE2 3.94Å; W385-F387 HydrophobicContact CH2-CE2 3.94Å; W385-F387 AromaticContact CH2-CZ 3.62Å; W385-F387 HydrophobicContact CH2-CZ 3.62Å; W385-F387 HydrophobicContact CZ3-CD1 4.05Å; W385-F387 HydrophobicContact CZ3-CD2 4.48Å; W385-F387 AromaticContact CZ3-CE1 3.77Å; W385-F387 HydrophobicContact CZ3-CE1 3.77Å; W385-F387 HydrophobicContact CZ3-CE2 4.21Å; W385-F387 HydrophobicContact CZ3-CG 4.41Å; W385-F387 AromaticContact CZ3-CZ 3.85Å; W385-F387 HydrophobicContact CZ3-CZ 3.85Å
388	C	85.9	Confident	90.3	Very high	7 Å²	7	38.5 Å²	38.5	5%	0.047	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-73	151.3	171.2	-69.6	0	0	0	0	110.3	C361 L371 W372 C373 D390	C361-C388 HydrophobicContact CB-CB 3.66Å; C361-C388 WeakPolarHBondContact CB-SG 3.17Å; C361-C388 WeakPolarHBondContact SG-CB 3.23Å; C361-C388 CovalentContact SG-SG 2.01Å; C361-C388 PolarHBondContact SG-SG 3.41Å; L371-C388 HydrophobicContact CB-CB 4.31Å; L371-C388 PolarHBondContact O-N 2.81Å; W372-C388 VanDerWaalsContact C-SG 3.56Å; C373-C388 VanDerWaalsContact CB-SG 3.58Å; C388-D390 PolarHBondContact O-N 2.82Å
389	P	82.8	Confident	90.6	Very high	31 Å²	31	36.4 Å²	36.4	20%	0.201	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-55.3	129.4	175.2	-26.1	35.2	0	0	0	111.8	L209 V216 A333 T336 I338	L209-P389 HydrophobicContact CD2-CB 3.76Å; V216-P389 HydrophobicContact CG2-CB 3.55Å; V216-P389 HydrophobicContact CG2-CG 4.29Å; A333-P389 WeakPolarHBondContact O-CG 3.46Å; T336-P389 WeakPolarHBondContact O-CG 3.44Å; I338-P389 HydrophobicContact CD1-CB 4.37Å; I338-P389 HydrophobicContact CD1-CG 4.31Å
390	D	83	Confident	90.8	Very high	57 Å²	57	36.3 Å²	36.3	31%	0.305	17%	0.171	S	C	.	.			trans	-104.5	-154.8	173.6	58	19.5	0	0	0	109.8	K184 L209 G215 C388 G392	K184-D390 WeakPolarHBondContact CE-OD2 3Å; K184-D390 IonicContact NZ-OD1 2.79Å; K184-D390 IonicContact NZ-OD2 3.23Å; K184-D390 PolarHBondContact NZ-OD2 3Å; L209-D390 WeakPolarHBondContact CD2-O 3.37Å; G215-D390 WeakPolarHBondContact CA-O 3.35Å; C388-D390 PolarHBondContact O-N 2.82Å; D390-G392 PolarHBondContact O-N 2.8Å; D390-G392 WeakPolarHBondContact OD1-CA 3.48Å; D390-G392 PolarHBondContact OD1-N 3.38Å
391	Q	84.4	Confident	91.2	Very high	139 Å²	139	34.5 Å²	34.5	65%	0.65	16%	0.161	S	C	*	.	S	Bend	trans	-69.9	-18.1	175.8	-70.4	-175.6	-12.8	0	0	112.6	S211 G215	S211-Q391 WeakPolarHBondContact CB-O 3.36Å; S211-Q391 PolarHBondContact OG-O 3.3Å; G215-Q391 WeakPolarHBondContact CA-O 3.41Å; G215-Q391 PolarHBondContact N-O 3.08Å
392	G	88.8	Confident	91.6	Very high	9 Å²	9	26.9 Å²	26.9	9%	0.093	13%	0.132	C	C	.	.			trans	57.6	-166.4	-173.6	0	0	0	0	0	113.2	L209 D390	L209-G392 CarbonylContact O-C 3.51Å; L209-G392 WeakPolarHBondContact O-CA 3.4Å; D390-G392 PolarHBondContact O-N 2.8Å; D390-G392 WeakPolarHBondContact OD1-CA 3.48Å; D390-G392 PolarHBondContact OD1-N 3.38Å
393	Y	92.8	Very high	91.9	Very high	18 Å²	18	24.2 Å²	24.2	7%	0.071	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135	-178.5	-57.7	-78.8	0	0	0	110.3	P97 D185 L188 E208 L209 S211 L395 Y423	P97-Y393 HydrophobicContact CB-CE1 3.67Å; P97-Y393 HydrophobicContact CG-CE1 3.77Å; P97-Y393 WeakPolarHBondContact CG-OH 2.95Å; D185-Y393 VanDerWaalsContact CG-OH 3.31Å; D185-Y393 PolarHBondContact OD1-OH 3.48Å; L188-Y393 HydrophobicContact CD1-CD1 3.51Å; L188-Y393 HydrophobicContact CD1-CE1 3.93Å; L188-Y393 HydrophobicContact CD1-CG 3.93Å; L188-Y393 HydrophobicContact CD2-CD1 3.74Å; L188-Y393 HydrophobicContact CD2-CD2 3.62Å; L188-Y393 HydrophobicContact CD2-CE1 3.69Å; L188-Y393 HydrophobicContact CD2-CE2 3.57Å; L188-Y393 HydrophobicContact CD2-CG 3.7Å; L188-Y393 HydrophobicContact CG-CD1 4.29Å; L188-Y393 HydrophobicContact CG-CE1 4.45Å; L188-Y393 HydrophobicContact CG-CG 4.46Å; E208-Y393 HydrophobicContact CB-CD2 4.08Å; E208-Y393 HydrophobicContact CB-CE2 4.44Å; E208-Y393 HydrophobicContact CG-CD2 4.3Å; E208-Y393 HydrophobicContact CG-CE2 4.4Å; E208-Y393 WeakPolarHBondContact OE2-CE2 3.5Å; L209-Y393 PolarHBondContact O-N 2.91Å; S211-Y393 CarbonylContact C-O 3.55Å; S211-Y393 PolarHBondContact N-O 2.86Å; S211-Y393 VanDerWaalsContact O-O 3.07Å; S211-Y393 PolarHBondContact OG-O 2.85Å; Y393-L395 PolarHBondContact O-N 3.06Å; Y393-Y423 AromaticContact CD1-CD1 3.58Å; Y393-Y423 HydrophobicContact CD1-CD1 3.58Å; Y393-Y423 HydrophobicContact CD1-CD2 4.3Å; Y393-Y423 AromaticContact CD1-CE1 3.57Å; Y393-Y423 HydrophobicContact CD1-CE1 3.57Å; Y393-Y423 HydrophobicContact CD1-CE2 4.3Å; Y393-Y423 AromaticContact CD1-CG 3.95Å; Y393-Y423 HydrophobicContact CD1-CG 3.95Å; Y393-Y423 AromaticContact CD1-CZ 3.94Å; Y393-Y423 AromaticContact CE1-CD1 3.89Å; Y393-Y423 HydrophobicContact CE1-CD1 3.89Å; Y393-Y423 HydrophobicContact CE1-CE1 4.14Å; Y393-Y423 HydrophobicContact CE1-CG 4.44Å
394	S	95.1	Very high	92.2	Very high	4 Å²	4	20 Å²	20	3%	0.028	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	105.9	176.9	-178.2	0	0	0	0	109.5	S211 F396 L397 V398 Y423	S211-S394 CarbonylContact O-C 3.47Å; S211-S394 WeakPolarHBondContact O-CA 3.37Å; S394-F396 PolarHBondContact O-N 2.9Å; S394-F396 VanDerWaalsContact O-N 3.16Å; S394-L397 PolarHBondContact O-N 3.47Å; S394-L397 PolarHBondContact OG-N 2.89Å; S394-V398 PolarHBondContact O-N 3.47Å; S394-Y423 PolarHBondContact N-OH 3.39Å
395	L	96	Very high	92.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-55.7	-35.2	177.5	-177.7	63.5	0	0	0	111	L132 I137 A140 F141 F170 F204 W210 S211 Y393 A399	L132-L395 HydrophobicContact CD1-CB 4.21Å; L132-L395 HydrophobicContact CD1-CD2 4.05Å; I137-L395 HydrophobicContact CB-CD2 4.14Å; I137-L395 HydrophobicContact CG1-CD2 3.83Å; I137-L395 HydrophobicContact CG2-CD2 3.95Å; A140-L395 HydrophobicContact CB-CD2 4.33Å; A140-L395 HydrophobicContact CB-CG 4.41Å; F141-L395 HydrophobicContact CD1-CG 4.45Å; F141-L395 HydrophobicContact CE1-CD1 3.65Å; F141-L395 HydrophobicContact CE1-CD2 4.02Å; F141-L395 HydrophobicContact CE1-CG 3.78Å; F141-L395 HydrophobicContact CZ-CD1 3.97Å; F141-L395 HydrophobicContact CZ-CD2 4.05Å; F141-L395 HydrophobicContact CZ-CG 4.24Å; F170-L395 HydrophobicContact CE1-CD1 3.95Å; F170-L395 HydrophobicContact CZ-CD1 3.88Å; F170-L395 HydrophobicContact CZ-CD2 4.07Å; F204-L395 HydrophobicContact CD1-CD1 3.78Å; F204-L395 HydrophobicContact CE1-CD1 3.93Å; F204-L395 HydrophobicContact CG-CD1 4.44Å; W210-L395 HydrophobicContact CD2-CD1 3.9Å; W210-L395 HydrophobicContact CE3-CB 3.94Å; W210-L395 HydrophobicContact CE3-CD1 3.61Å; W210-L395 HydrophobicContact CE3-CG 4.39Å; W210-L395 HydrophobicContact CG-CD1 4.45Å; W210-L395 HydrophobicContact CZ3-CD1 4.04Å; S211-L395 PolarHBondContact O-N 2.96Å; Y393-L395 PolarHBondContact O-N 3.06Å; L395-A399 WeakPolarHBondContact O-CB 3.3Å; L395-A399 PolarHBondContact O-N 3.09Å
396	F	96.2	Very high	92.8	Very high	30 Å²	30	16.5 Å²	16.5	13%	0.132	9%	0.085	C	C	.	.	H	α-helix	trans	-61	-46.3	174.4	164.5	-107.6	0	0	0	112.8	A140 R143 A144 L147 S394 A400 P430	A140-F396 HydrophobicContact CB-CB 4.25Å; R143-F396 HydrophobicContact CB-CD2 3.79Å; R143-F396 HydrophobicContact CB-CE2 3.67Å; A144-F396 HydrophobicContact CB-CD2 4.25Å; L147-F396 HydrophobicContact CD1-CE2 3.83Å; L147-F396 HydrophobicContact CD1-CZ 3.65Å; L147-F396 HydrophobicContact CD2-CZ 4.35Å; L147-F396 HydrophobicContact CG-CE2 4.29Å; L147-F396 HydrophobicContact CG-CZ 4.19Å; S394-F396 PolarHBondContact O-N 2.9Å; S394-F396 VanDerWaalsContact O-N 3.16Å; F396-A400 VanDerWaalsContact O-CB 3.23Å; F396-A400 WeakPolarHBondContact O-CB 3.38Å; F396-A400 PolarHBondContact O-N 2.81Å; F396-P430 HydrophobicContact CE1-CG 4.21Å; F396-P430 HydrophobicContact CZ-CG 4.15Å
397	L	97.1	Very high	93.2	Very high	10 Å²	10	16.5 Å²	16.5	5%	0.052	9%	0.085	C	C	.	.	H	α-helix	trans	-72.6	-45	-177.5	-67.4	176.4	0	0	0	111.5	S394 A400 H401 Y423 F425 T426 P430	S394-L397 PolarHBondContact O-N 3.47Å; S394-L397 PolarHBondContact OG-N 2.89Å; L397-A400 PolarHBondContact O-N 2.97Å; L397-H401 PolarHBondContact O-N 3.31Å; L397-Y423 HydrophobicContact CB-CE2 4.4Å; L397-F425 HydrophobicContact CD1-CD2 3.87Å; L397-F425 HydrophobicContact CD1-CE2 4.45Å; L397-T426 HydrophobicContact CD1-CG2 4.18Å; L397-T426 HydrophobicContact CD2-CG2 4.01Å; L397-P430 HydrophobicContact CD2-CB 3.85Å; L397-P430 HydrophobicContact CD2-CG 4.35Å
398	V	98.2	Very high	93.4	Very high	7 Å²	7	16 Å²	16	4%	0.042	9%	0.085	C	C	.	.	H	α-helix	trans	-63.6	-45.4	178	-179	0	0	0	0	109.7	L188 A189 F204 W210 S394 A400 H401 E402 Y423	L188-V398 HydrophobicContact CB-CG1 4.32Å; L188-V398 HydrophobicContact CD1-CG2 4Å; A189-V398 HydrophobicContact CB-CG1 3.54Å; F204-V398 HydrophobicContact CD1-CG1 4.18Å; F204-V398 HydrophobicContact CE1-CB 4.47Å; F204-V398 HydrophobicContact CE1-CG1 4.04Å; W210-V398 HydrophobicContact CH2-CB 4.18Å; W210-V398 HydrophobicContact CH2-CG1 3.89Å; W210-V398 HydrophobicContact CH2-CG2 4.31Å; W210-V398 HydrophobicContact CZ3-CB 3.83Å; W210-V398 HydrophobicContact CZ3-CG1 4.07Å; W210-V398 HydrophobicContact CZ3-CG2 3.84Å; S394-V398 PolarHBondContact O-N 3.47Å; V398-A400 VanDerWaalsContact C-N 3.33Å; V398-A400 PolarHBondContact O-N 2.78Å; V398-H401 WeakPolarHBondContact O-CB 3.33Å; V398-H401 PolarHBondContact O-N 3.2Å; V398-H401 VanDerWaalsContact O-N 3.15Å; V398-E402 HydrophobicContact CG1-CG 4.23Å; V398-E402 WeakPolarHBondContact O-CG 3.44Å; V398-E402 PolarHBondContact O-N 3.23Å; V398-Y423 HydrophobicContact CG2-CD2 3.82Å; V398-Y423 HydrophobicContact CG2-CE2 3.93Å
399	A	98.3	Very high	93.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.3	-38.3	176.5	0	0	0	0	0	113	F141 A144 F204 L395 H401 E402 F403	F141-A399 HydrophobicContact CD1-CB 3.53Å; F141-A399 HydrophobicContact CE1-CB 3.7Å; A144-A399 HydrophobicContact CB-CB 3.99Å; F204-A399 HydrophobicContact CE1-CB 3.82Å; F204-A399 HydrophobicContact CZ-CB 3.68Å; L395-A399 WeakPolarHBondContact O-CB 3.3Å; L395-A399 PolarHBondContact O-N 3.09Å; A399-H401 VanDerWaalsContact C-N 3.27Å; A399-H401 PolarHBondContact O-N 3.21Å; A399-E402 PolarHBondContact O-N 2.83Å; A399-F403 HydrophobicContact CB-CD2 4.49Å; A399-F403 HydrophobicContact CB-CE1 4.42Å; A399-F403 HydrophobicContact CB-CE2 3.98Å; A399-F403 HydrophobicContact CB-CZ 3.92Å; A399-F403 VanDerWaalsContact O-CB 3.28Å; A399-F403 WeakPolarHBondContact O-CB 3.28Å; A399-F403 WeakPolarHBondContact O-CD1 3.27Å; A399-F403 VanDerWaalsContact O-CD2 3.27Å; A399-F403 WeakPolarHBondContact O-CD2 3.35Å; A399-F403 WeakPolarHBondContact O-CG 3.41Å; A399-F403 PolarHBondContact O-N 3.1Å
400	A	98.2	Very high	93.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.7	-40.4	176.1	0	0	0	0	0	111.5	A144 L147 W148 F396 L397 V398 G404 L418	A144-A400 HydrophobicContact CB-CB 3.98Å; L147-A400 HydrophobicContact CD1-CB 3.55Å; W148-A400 VanDerWaalsContact CZ2-O 3.29Å; W148-A400 WeakPolarHBondContact CZ2-O 3.34Å; W148-A400 PolarHBondContact NE1-O 2.99Å; F396-A400 VanDerWaalsContact O-CB 3.23Å; F396-A400 WeakPolarHBondContact O-CB 3.38Å; F396-A400 PolarHBondContact O-N 2.81Å; L397-A400 PolarHBondContact O-N 2.97Å; V398-A400 VanDerWaalsContact C-N 3.33Å; V398-A400 PolarHBondContact O-N 2.78Å; A400-G404 PolarHBondContact O-N 2.83Å; A400-L418 HydrophobicContact CB-CD1 4.28Å; A400-L418 HydrophobicContact CB-CD2 3.7Å
401	H	98.3	Very high	94.3	Very high	13 Å²	13	16.7 Å²	16.7	6%	0.06	9%	0.086	C	C	.	.	H	α-helix	trans	-63.6	-54.7	173.9	-177.5	105.7	0	0	0	111.7	C99 L397 V398 A399 F403 G404 H405 H411 L418 M419 Y420	C99-H401 WeakPolarHBondContact CB-NE2 3.12Å; L397-H401 PolarHBondContact O-N 3.31Å; V398-H401 WeakPolarHBondContact O-CB 3.33Å; V398-H401 PolarHBondContact O-N 3.2Å; V398-H401 VanDerWaalsContact O-N 3.15Å; A399-H401 VanDerWaalsContact C-N 3.27Å; A399-H401 PolarHBondContact O-N 3.21Å; H401-F403 VanDerWaalsContact C-N 3.27Å; H401-F403 PolarHBondContact O-N 3.32Å; H401-G404 WeakPolarHBondContact O-CA 3.32Å; H401-G404 PolarHBondContact O-N 3.41Å; H401-H405 AromaticContact CD2-CD2 3.75Å; H401-H405 AromaticContact CD2-NE2 3.71Å; H401-H405 AromaticContact NE2-CD2 3.77Å; H401-H405 AromaticContact NE2-NE2 3.21Å; H401-H405 PolarHBondContact NE2-NE2 2.75Å; H401-H405 PolarHBondContact O-N 2.68Å; H401-H411 AromaticContact CE1-CD2 3.68Å; H401-H411 AromaticContact CE1-NE2 3.8Å; H401-H411 AromaticContact NE2-CD2 3.5Å; H401-H411 PolarHBondContact NE2-CD2 2.96Å; H401-H411 AromaticContact NE2-NE2 3.29Å; H401-H411 PolarHBondContact NE2-NE2 3.5Å; H401-L418 HydrophobicContact CB-CD1 4.2Å; H401-L418 HydrophobicContact CB-CG 4.42Å; H401-L418 PolarHBondContact ND1-O 3.31Å; H401-M419 WeakPolarHBondContact O-CE 3.18Å; H401-M419 VanDerWaalsContact O-SD 3.39Å; H401-Y420 PolarHBondContact CE1-O 3.39Å; H401-Y420 VanDerWaalsContact CE1-O 3.29Å
402	E	98	Very high	94.6	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.009	6%	0.058	C	C	.	.	H	α-helix	trans	-61.2	-35.2	-179.2	-62.3	-43.8	140.2	0	0	112.6	C99 A189 H190 A191 A202 F204 V398 A399 G404 H405 A406	C99-E402 PolarHBondContact SG-OE1 2.9Å; A189-E402 HydrophobicContact CB-CG 3.56Å; H190-E402 WeakPolarHBondContact CA-OE2 3.43Å; A191-E402 HydrophobicContact CB-CB 3.98Å; A191-E402 VanDerWaalsContact CB-O 3.3Å; A191-E402 WeakPolarHBondContact CB-O 3.38Å; A191-E402 PolarHBondContact N-OE2 3.32Å; A202-E402 HydrophobicContact CB-CB 4.23Å; F204-E402 HydrophobicContact CE1-CG 4.38Å; F204-E402 HydrophobicContact CZ-CB 4.42Å; F204-E402 HydrophobicContact CZ-CG 4.4Å; V398-E402 HydrophobicContact CG1-CG 4.23Å; V398-E402 WeakPolarHBondContact O-CG 3.44Å; V398-E402 PolarHBondContact O-N 3.23Å; A399-E402 PolarHBondContact O-N 2.83Å; E402-G404 PolarHBondContact O-N 2.88Å; E402-H405 WeakPolarHBondContact O-CB 3.32Å; E402-H405 PolarHBondContact O-N 3.25Å; E402-H405 VanDerWaalsContact O-N 3.13Å; E402-H405 IonicContact OE2-CD2 3.38Å; E402-A406 PolarHBondContact O-N 2.72Å
403	F	98.2	Very high	94.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-68.3	-26.1	174.1	-62	-14.5	0	0	0	112.3	F141 A144 F145 I168 A202 F204 A399 H401 H405 A406 L407	F141-F403 HydrophobicContact CB-CE2 4.27Å; F141-F403 HydrophobicContact CB-CZ 4.22Å; F141-F403 HydrophobicContact CD1-CE2 4.31Å; F141-F403 AromaticContact CD1-CZ 3.82Å; F141-F403 HydrophobicContact CD1-CZ 3.82Å; F141-F403 HydrophobicContact CE1-CZ 4.48Å; F141-F403 HydrophobicContact CG-CZ 4.19Å; A144-F403 HydrophobicContact CB-CD2 3.68Å; A144-F403 HydrophobicContact CB-CE2 3.64Å; F145-F403 HydrophobicContact CD1-CB 4.34Å; F145-F403 AromaticContact CD1-CD2 3.56Å; F145-F403 HydrophobicContact CD1-CD2 3.56Å; F145-F403 HydrophobicContact CD1-CE2 4.05Å; F145-F403 HydrophobicContact CD1-CG 4.03Å; F145-F403 HydrophobicContact CD2-CD2 4.01Å; F145-F403 AromaticContact CD2-CE2 3.63Å; F145-F403 HydrophobicContact CD2-CE2 3.63Å; F145-F403 HydrophobicContact CD2-CZ 4.32Å; F145-F403 HydrophobicContact CE1-CB 4.03Å; F145-F403 HydrophobicContact CE1-CD1 4.02Å; F145-F403 AromaticContact CE1-CD2 3.45Å; F145-F403 HydrophobicContact CE1-CD2 3.45Å; F145-F403 VanDerWaalsContact CE1-CD2 3.45Å; F145-F403 HydrophobicContact CE1-CE1 4.38Å; F145-F403 AromaticContact CE1-CE2 3.85Å; F145-F403 HydrophobicContact CE1-CE2 3.85Å; F145-F403 AromaticContact CE1-CG 3.55Å; F145-F403 HydrophobicContact CE1-CG 3.55Å; F145-F403 HydrophobicContact CE1-CZ 4.31Å; F145-F403 AromaticContact CE2-CD2 3.91Å; F145-F403 HydrophobicContact CE2-CD2 3.91Å; F145-F403 HydrophobicContact CE2-CE1 4.3Å; F145-F403 AromaticContact CE2-CE2 3.39Å; F145-F403 HydrophobicContact CE2-CE2 3.39Å; F145-F403 AromaticContact CE2-CZ 3.64Å; F145-F403 HydrophobicContact CE2-CZ 3.64Å; F145-F403 AromaticContact CG-CD2 3.84Å; F145-F403 HydrophobicContact CG-CD2 3.84Å; F145-F403 AromaticContact CG-CE2 3.95Å; F145-F403 HydrophobicContact CG-CE2 3.95Å; F145-F403 AromaticContact CZ-CD1 3.92Å; F145-F403 HydrophobicContact CZ-CD1 3.92Å; F145-F403 AromaticContact CZ-CD2 3.64Å; F145-F403 HydrophobicContact CZ-CD2 3.64Å; F145-F403 AromaticContact CZ-CE1 3.84Å; F145-F403 HydrophobicContact CZ-CE1 3.84Å; F145-F403 AromaticContact CZ-CE2 3.52Å; F145-F403 HydrophobicContact CZ-CE2 3.52Å; F145-F403 AromaticContact CZ-CG 3.85Å; F145-F403 HydrophobicContact CZ-CG 3.85Å; F145-F403 AromaticContact CZ-CZ 3.64Å; F145-F403 HydrophobicContact CZ-CZ 3.64Å; I168-F403 HydrophobicContact CD1-CE1 3.82Å; I168-F403 HydrophobicContact CD1-CZ 3.54Å; I168-F403 HydrophobicContact CG1-CE1 3.95Å; I168-F403 HydrophobicContact CG1-CZ 4.18Å; A202-F403 HydrophobicContact CB-CD1 4.24Å; A202-F403 HydrophobicContact CB-CE1 4.07Å; F204-F403 HydrophobicContact CZ-CE1 4.45Å; A399-F403 HydrophobicContact CB-CD2 4.49Å; A399-F403 HydrophobicContact CB-CE1 4.42Å; A399-F403 HydrophobicContact CB-CE2 3.98Å; A399-F403 HydrophobicContact CB-CZ 3.92Å; A399-F403 VanDerWaalsContact O-CB 3.28Å; A399-F403 WeakPolarHBondContact O-CB 3.28Å; A399-F403 WeakPolarHBondContact O-CD1 3.27Å; A399-F403 VanDerWaalsContact O-CD2 3.27Å; A399-F403 WeakPolarHBondContact O-CD2 3.35Å; A399-F403 WeakPolarHBondContact O-CG 3.41Å; A399-F403 PolarHBondContact O-N 3.1Å; H401-F403 VanDerWaalsContact C-N 3.27Å; H401-F403 PolarHBondContact O-N 3.32Å; F403-H405 VanDerWaalsContact C-N 3.35Å; F403-A406 PolarHBondContact O-N 3.04Å; F403-L407 WeakPolarHBondContact O-CB 3.41Å; F403-L407 WeakPolarHBondContact O-CD1 3.35Å; F403-L407 WeakPolarHBondContact O-CG 3.42Å; F403-L407 PolarHBondContact O-N 2.94Å
404	G	96.6	Very high	94.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.3	-44.9	168.6	0	0	0	0	0	111.5	A400 H401 E402 L407 G408 L409	A400-G404 PolarHBondContact O-N 2.83Å; H401-G404 WeakPolarHBondContact O-CA 3.32Å; H401-G404 PolarHBondContact O-N 3.41Å; E402-G404 PolarHBondContact O-N 2.88Å; G404-L407 CarbonylContact O-C 3.45Å; G404-L407 PolarHBondContact O-N 2.92Å; G404-G408 PolarHBondContact O-N 3.5Å; G404-L409 WeakPolarHBondContact O-CB 3.44Å; G404-L409 PolarHBondContact O-N 2.92Å
405	H	93.5	Very high	94.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.6	-45.9	173.4	-71.9	-48.7	0	0	0	112.6	A191 H401 E402 F403 L407 G408 L409 H411 M419	A191-H405 HydrophobicContact CB-CB 3.94Å; H401-H405 AromaticContact CD2-CD2 3.75Å; H401-H405 AromaticContact CD2-NE2 3.71Å; H401-H405 AromaticContact NE2-CD2 3.77Å; H401-H405 AromaticContact NE2-NE2 3.21Å; H401-H405 PolarHBondContact NE2-NE2 2.75Å; H401-H405 PolarHBondContact O-N 2.68Å; E402-H405 WeakPolarHBondContact O-CB 3.32Å; E402-H405 PolarHBondContact O-N 3.25Å; E402-H405 VanDerWaalsContact O-N 3.13Å; E402-H405 IonicContact OE2-CD2 3.38Å; F403-H405 VanDerWaalsContact C-N 3.35Å; H405-L407 PolarHBondContact O-N 3.01Å; H405-L407 VanDerWaalsContact O-N 3.09Å; H405-G408 WeakPolarHBondContact O-CA 3.4Å; H405-G408 PolarHBondContact O-N 3.34Å; H405-L409 WeakPolarHBondContact CA-O 3.21Å; H405-L409 PolarHBondContact ND1-O 3.5Å; H405-H411 AromaticContact CE1-CD2 3.43Å; H405-H411 PolarHBondContact CE1-CD2 3.25Å; H405-H411 VanDerWaalsContact CE1-CD2 3.43Å; H405-H411 AromaticContact CE1-NE2 3.8Å; H405-H411 AromaticContact NE2-CD2 3.29Å; H405-H411 PolarHBondContact NE2-CD2 3.07Å; H405-H411 VanDerWaalsContact NE2-CD2 3.29Å; H405-H411 AromaticContact NE2-NE2 3.26Å; H405-H411 PolarHBondContact NE2-NE2 2.82Å; H405-M419 VanDerWaalsContact CE1-CE 3.43Å; H405-M419 WeakPolarHBondContact CE1-CE 3.25Å
406	A	95.1	Very high	94.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.1	-18.8	175.1	0	0	0	0	0	113.7	W116 I166 F192 P194 G200 E402 F403	W116-A406 PolarHBondContact NE1-O 3.37Å; I166-A406 HydrophobicContact CD1-CB 3.79Å; I166-A406 HydrophobicContact CG1-CB 4.13Å; F192-A406 WeakPolarHBondContact O-CA 3.3Å; P194-A406 WeakPolarHBondContact CG-O 3.4Å; G200-A406 WeakPolarHBondContact O-CB 3.07Å; E402-A406 PolarHBondContact O-N 2.72Å; F403-A406 PolarHBondContact O-N 3.04Å
407	L	95.4	Very high	94.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-3.6	173.7	-67.9	172	0	0	0	113.2	I121 W148 L154 F156 F403 G404 H405 I439 Y443	I121-L407 HydrophobicContact CG1-CD2 4.37Å; W148-L407 HydrophobicContact CB-CD1 3.72Å; W148-L407 HydrophobicContact CD2-CD1 4.16Å; W148-L407 HydrophobicContact CG-CD1 3.62Å; L154-L407 HydrophobicContact CD1-CD1 4.17Å; L154-L407 HydrophobicContact CD1-CD2 3.7Å; F156-L407 HydrophobicContact CE1-CD1 4.45Å; F156-L407 HydrophobicContact CE1-CD2 4.01Å; F156-L407 HydrophobicContact CZ-CD1 3.93Å; F156-L407 HydrophobicContact CZ-CD2 4.09Å; F403-L407 WeakPolarHBondContact O-CB 3.41Å; F403-L407 WeakPolarHBondContact O-CD1 3.35Å; F403-L407 WeakPolarHBondContact O-CG 3.42Å; F403-L407 PolarHBondContact O-N 2.94Å; G404-L407 CarbonylContact O-C 3.45Å; G404-L407 PolarHBondContact O-N 2.92Å; H405-L407 PolarHBondContact O-N 3.01Å; H405-L407 VanDerWaalsContact O-N 3.09Å; L407-I439 HydrophobicContact CB-CD1 3.79Å; L407-I439 HydrophobicContact CD1-CD1 4.07Å; L407-Y443 HydrophobicContact CB-CE2 4.19Å; L407-Y443 VanDerWaalsContact O-CE2 3.24Å; L407-Y443 WeakPolarHBondContact O-CE2 3.48Å; L407-Y443 PolarHBondContact O-OH 3.46Å
408	G	88.8	Confident	94.3	Very high	10 Å²	10	19.7 Å²	19.7	10%	0.103	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.5	12.2	174.8	0	0	0	0	0	115.2	G404 H405	G404-G408 PolarHBondContact O-N 3.5Å; H405-G408 WeakPolarHBondContact O-CA 3.4Å; H405-G408 PolarHBondContact O-N 3.34Å
409	L	91.1	Very high	94.2	Very high	12 Å²	12	19.6 Å²	19.6	6%	0.063	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-79.3	144.7	171.7	-60.7	-180	0	0	0	111.5	F107 W148 G404 H405 M419 G438 I439 L442	F107-L409 WeakPolarHBondContact CZ-O 3.41Å; W148-L409 HydrophobicContact CE3-CD1 4.47Å; W148-L409 HydrophobicContact CH2-CD1 3.4Å; W148-L409 VanDerWaalsContact CH2-CD1 3.4Å; W148-L409 HydrophobicContact CZ2-CD1 4.22Å; W148-L409 HydrophobicContact CZ3-CD1 3.56Å; G404-L409 WeakPolarHBondContact O-CB 3.44Å; G404-L409 PolarHBondContact O-N 2.92Å; H405-L409 WeakPolarHBondContact CA-O 3.21Å; H405-L409 PolarHBondContact ND1-O 3.5Å; L409-M419 HydrophobicContact CB-CE 4.06Å; L409-M419 HydrophobicContact CB-CG 4.23Å; L409-M419 HydrophobicContact CB-SD 4.4Å; L409-M419 HydrophobicContact CD1-CG 3.87Å; L409-M419 HydrophobicContact CD1-SD 4.23Å; L409-G438 VanDerWaalsContact CD2-C 3.48Å; L409-I439 HydrophobicContact CD1-CB 4.2Å; L409-I439 HydrophobicContact CD1-CD1 4.05Å; L409-I439 HydrophobicContact CD2-CB 4.33Å; L409-I439 HydrophobicContact CD2-CD1 4.21Å; L409-I439 HydrophobicContact CG-CD1 3.98Å; L409-L442 HydrophobicContact CD2-CD1 4Å
410	D	88	Confident	94	Very high	78 Å²	78	21.1 Å²	21.1	42%	0.417	12%	0.118	S	C	.	.	P	Polyproline II helix	trans	-93.1	168	170.3	-97	-52	0	0	0	111.1	F107 S412	F107-D410 VanDerWaalsContact CD2-CG 3.47Å; F107-D410 WeakPolarHBondContact CD2-OD1 3.15Å; F107-D410 WeakPolarHBondContact CE2-OD1 3.41Å; D410-S412 PolarHBondContact O-N 2.98Å
411	H	91.4	Very high	93.8	Very high	18 Å²	18	21.2 Å²	21.2	8%	0.083	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-59.6	133.1	170	-78.6	156.7	0	0	0	112	R98 C99 V101 D103 H401 H405 M419	R98-H411 PolarHBondContact NH2-CE1 2.79Å; C99-H411 WeakPolarHBondContact CB-NE2 3.37Å; V101-H411 PolarHBondContact O-CE1 3.31Å; D103-H411 IonicContact OD1-CE1 3.42Å; D103-H411 IonicContact OD1-CG 3.29Å; D103-H411 IonicContact OD1-ND1 3.01Å; D103-H411 PolarHBondContact OD1-ND1 2.99Å; H401-H411 AromaticContact CE1-CD2 3.68Å; H401-H411 AromaticContact CE1-NE2 3.8Å; H401-H411 AromaticContact NE2-CD2 3.5Å; H401-H411 PolarHBondContact NE2-CD2 2.96Å; H401-H411 AromaticContact NE2-NE2 3.29Å; H401-H411 PolarHBondContact NE2-NE2 3.5Å; H405-H411 AromaticContact CE1-CD2 3.43Å; H405-H411 PolarHBondContact CE1-CD2 3.25Å; H405-H411 VanDerWaalsContact CE1-CD2 3.43Å; H405-H411 AromaticContact CE1-NE2 3.8Å; H405-H411 AromaticContact NE2-CD2 3.29Å; H405-H411 PolarHBondContact NE2-CD2 3.07Å; H405-H411 VanDerWaalsContact NE2-CD2 3.29Å; H405-H411 AromaticContact NE2-NE2 3.26Å; H405-H411 PolarHBondContact NE2-NE2 2.82Å; H411-M419 CarbonylContact C-O 3.56Å; H411-M419 VanDerWaalsContact CA-O 3.31Å; H411-M419 WeakPolarHBondContact CA-O 3.29Å
412	S	92	Very high	93.5	Very high	10 Å²	10	21.6 Å²	21.6	7%	0.07	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-83.9	148.4	171.2	-176.9	0	0	0	0	111.1	D410 V414 M419 Y420 P421 D434	D410-S412 PolarHBondContact O-N 2.98Å; S412-V414 VanDerWaalsContact C-N 3.33Å; S412-V414 WeakPolarHBondContact OG-CB 3.39Å; S412-V414 PolarHBondContact OG-N 2.75Å; S412-M419 PolarHBondContact N-O 2.92Å; S412-Y420 WeakPolarHBondContact O-CD2 3.34Å; S412-P421 WeakPolarHBondContact O-CD 3.31Å; S412-D434 WeakPolarHBondContact CB-OD2 3.47Å; S412-D434 PolarHBondContact OG-OD2 2.83Å
413	S	90.8	Very high	93.4	Very high	53 Å²	53	23.7 Å²	23.7	37%	0.371	13%	0.129	S	C	.	.	S	Bend	trans	-88.1	-1.2	168.8	64.5	0	0	0	0	113.3	Q77 S79 P415	Q77-S413 WeakPolarHBondContact O-CA 3.34Å; Q77-S413 VanDerWaalsContact O-CB 3.29Å; Q77-S413 WeakPolarHBondContact O-CB 3.23Å; S79-S413 PolarHBondContact OG-O 3.13Å; S413-P415 WeakPolarHBondContact O-CD 3.2Å
414	V	93.7	Very high	93	Very high	38 Å²	38	30.5 Å²	30.5	23%	0.23	15%	0.154	C	C	.	.			trans	-87.4	114.1	-178.8	179.4	0	0	0	0	109.5	S412 E416 A417 Y420 D434	S412-V414 VanDerWaalsContact C-N 3.33Å; S412-V414 WeakPolarHBondContact OG-CB 3.39Å; S412-V414 PolarHBondContact OG-N 2.75Å; V414-E416 PolarHBondContact O-N 3.39Å; V414-A417 HydrophobicContact CB-CB 4Å; V414-A417 HydrophobicContact CG1-CB 4.36Å; V414-A417 WeakPolarHBondContact O-CB 3.29Å; V414-A417 PolarHBondContact O-N 2.89Å; V414-Y420 WeakPolarHBondContact O-CB 3.35Å; V414-Y420 WeakPolarHBondContact O-CD2 3.28Å; V414-D434 HydrophobicContact CG2-CB 4.39Å
415	P	91.6	Very high	92.7	Very high	42 Å²	42	33.8 Å²	33.8	27%	0.273	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.2	-174	-26.9	36.9	0	0	0	115.8	S413 Y420	S413-P415 WeakPolarHBondContact O-CD 3.2Å; P415-Y420 HydrophobicContact CB-CE1 4.44Å; P415-Y420 HydrophobicContact CB-CE2 4.46Å; P415-Y420 HydrophobicContact CG-CE2 4.29Å
416	E	91.3	Very high	92.4	Very high	104 Å²	104	35.9 Å²	35.9	49%	0.486	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-11.1	177.4	-59.6	75.4	-162.2	0	0	114.3	V414	V414-E416 PolarHBondContact O-N 3.39Å
417	A	94.9	Very high	91.7	Very high	7 Å²	7	42.7 Å²	42.7	6%	0.058	21%	0.214	C	C	.	.	S	Bend	trans	-71	144.4	177.9	0	0	0	0	0	111.4	V414 M419 Y420 H432 D434	V414-A417 HydrophobicContact CB-CB 4Å; V414-A417 HydrophobicContact CG1-CB 4.36Å; V414-A417 WeakPolarHBondContact O-CB 3.29Å; V414-A417 PolarHBondContact O-N 2.89Å; A417-M419 PolarHBondContact O-N 2.62Å; A417-Y420 WeakPolarHBondContact O-CB 3.23Å; A417-Y420 PolarHBondContact O-N 2.68Å; A417-Y420 VanDerWaalsContact O-N 3.09Å; A417-H432 HydrophobicContact CB-CB 4.16Å; A417-D434 HydrophobicContact CB-CB 4.35Å
418	L	96.3	Very high	91	Very high	20 Å²	20	49.7 Å²	49.7	11%	0.105	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-41.1	172.5	175.7	60.4	0	0	0	109.9	W148 A400 H401 Y420 P430 L431 D435	W148-L418 HydrophobicContact CH2-CD2 4.22Å; W148-L418 HydrophobicContact CZ2-CD2 3.77Å; A400-L418 HydrophobicContact CB-CD1 4.28Å; A400-L418 HydrophobicContact CB-CD2 3.7Å; H401-L418 HydrophobicContact CB-CD1 4.2Å; H401-L418 HydrophobicContact CB-CG 4.42Å; H401-L418 PolarHBondContact ND1-O 3.31Å; L418-Y420 PolarHBondContact O-N 3.08Å; L418-Y420 VanDerWaalsContact O-N 3.16Å; L418-P430 HydrophobicContact CD1-CB 4.28Å; L418-L431 HydrophobicContact CB-CD2 4.44Å; L418-L431 HydrophobicContact CD2-CD2 3.73Å; L418-D435 PolarHBondContact N-OD1 2.89Å; L418-D435 PolarHBondContact N-OD2 2.85Å
419	M	95.8	Very high	90.6	Very high	4 Å²	4	55 Å²	55	2%	0.02	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	9.1	178.3	-61	-51.7	-58.7	0	0	114	W148 H401 H405 L409 H411 S412 A417 D435	W148-M419 HydrophobicContact CH2-CG 4.28Å; W148-M419 HydrophobicContact CH2-SD 4.13Å; W148-M419 HydrophobicContact CZ2-SD 4.05Å; H401-M419 WeakPolarHBondContact O-CE 3.18Å; H401-M419 VanDerWaalsContact O-SD 3.39Å; H405-M419 VanDerWaalsContact CE1-CE 3.43Å; H405-M419 WeakPolarHBondContact CE1-CE 3.25Å; L409-M419 HydrophobicContact CB-CE 4.06Å; L409-M419 HydrophobicContact CB-CG 4.23Å; L409-M419 HydrophobicContact CB-SD 4.4Å; L409-M419 HydrophobicContact CD1-CG 3.87Å; L409-M419 HydrophobicContact CD1-SD 4.23Å; H411-M419 CarbonylContact C-O 3.56Å; H411-M419 VanDerWaalsContact CA-O 3.31Å; H411-M419 WeakPolarHBondContact CA-O 3.29Å; S412-M419 PolarHBondContact N-O 2.92Å; A417-M419 PolarHBondContact O-N 2.62Å; M419-D435 WeakPolarHBondContact CB-OD1 3.21Å; M419-D435 WeakPolarHBondContact CG-OD1 3.43Å; M419-D435 PolarHBondContact N-OD1 3.41Å
420	Y	95.6	Very high	90.1	Very high	32 Å²	32	55.2 Å²	55.2	13%	0.125	28%	0.281	C	S	.	.			trans	-68.5	132.7	169.2	-171.3	-110.9	0	0	0	109.9	L78 H401 S412 V414 P415 A417 L418 M422	L78-Y420 WeakPolarHBondContact CA-OH 3.07Å; L78-Y420 HydrophobicContact CD2-CE2 4.42Å; L78-Y420 PolarHBondContact O-OH 3.36Å; H401-Y420 PolarHBondContact CE1-O 3.39Å; H401-Y420 VanDerWaalsContact CE1-O 3.29Å; S412-Y420 WeakPolarHBondContact O-CD2 3.34Å; V414-Y420 WeakPolarHBondContact O-CB 3.35Å; V414-Y420 WeakPolarHBondContact O-CD2 3.28Å; P415-Y420 HydrophobicContact CB-CE1 4.44Å; P415-Y420 HydrophobicContact CB-CE2 4.46Å; P415-Y420 HydrophobicContact CG-CE2 4.29Å; A417-Y420 WeakPolarHBondContact O-CB 3.23Å; A417-Y420 PolarHBondContact O-N 2.68Å; A417-Y420 VanDerWaalsContact O-N 3.09Å; L418-Y420 PolarHBondContact O-N 3.08Å; L418-Y420 VanDerWaalsContact O-N 3.16Å; Y420-M422 VanDerWaalsContact C-N 3.26Å; Y420-M422 HydrophobicContact CD1-CB 3.9Å; Y420-M422 HydrophobicContact CD1-CG 4.13Å; Y420-M422 HydrophobicContact CE1-CB 3.6Å; Y420-M422 HydrophobicContact CE1-CG 3.47Å; Y420-M422 VanDerWaalsContact CE1-CG 3.47Å; Y420-M422 PolarHBondContact O-N 2.58Å; Y420-M422 VanDerWaalsContact O-N 3.16Å
421	P	93.8	Very high	90.4	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.013	27%	0.27	C	S	.	.	S	Bend	trans	-62.5	-29.4	-169	18.7	-32	0	0	0	114.5	L78 R98 C99 S412	L78-P421 HydrophobicContact CD2-CG 3.7Å; R98-P421 CarbonylContact C-O 3.58Å; R98-P421 WeakPolarHBondContact CA-O 2.86Å; R98-P421 WeakPolarHBondContact CB-O 3.37Å; R98-P421 VanDerWaalsContact NH2-CB 3.34Å; C99-P421 PolarHBondContact N-O 3.16Å; S412-P421 WeakPolarHBondContact O-CD 3.31Å
422	M	92.6	Very high	90.6	Very high	21 Å²	21	55.7 Å²	55.7	10%	0.103	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-85.5	130.5	-173.1	-48	-55.4	-61.1	0	0	110.9	L78 A93 T96 R98 Y420 R424	L78-M422 HydrophobicContact CD2-CG 4.25Å; L78-M422 HydrophobicContact CD2-SD 4.22Å; A93-M422 WeakPolarHBondContact O-CE 3.26Å; T96-M422 VanDerWaalsContact CB-CE 3.43Å; T96-M422 HydrophobicContact CG2-CE 3.78Å; T96-M422 WeakPolarHBondContact O-CE 3.38Å; R98-M422 HydrophobicContact CB-CE 3.98Å; R98-M422 HydrophobicContact CB-SD 3.78Å; R98-M422 HydrophobicContact CG-SD 4.48Å; Y420-M422 VanDerWaalsContact C-N 3.26Å; Y420-M422 HydrophobicContact CD1-CB 3.9Å; Y420-M422 HydrophobicContact CD1-CG 4.13Å; Y420-M422 HydrophobicContact CE1-CB 3.6Å; Y420-M422 HydrophobicContact CE1-CG 3.47Å; Y420-M422 VanDerWaalsContact CE1-CG 3.47Å; Y420-M422 PolarHBondContact O-N 2.58Å; Y420-M422 VanDerWaalsContact O-N 3.16Å; M422-R424 PolarHBondContact O-N 2.84Å
423	Y	94.2	Very high	90.8	Very high	46 Å²	46	62.5 Å²	62.5	18%	0.18	31%	0.31	C	S	.	.			trans	-65.3	131.7	178.6	174.6	-97.8	0	0	0	111.5	P97 L188 Y393 S394 L397 V398 F425	P97-Y423 PolarHBondContact O-N 2.93Å; L188-Y423 HydrophobicContact CD1-CD2 3.93Å; L188-Y423 HydrophobicContact CD1-CG 3.76Å; Y393-Y423 AromaticContact CD1-CD1 3.58Å; Y393-Y423 HydrophobicContact CD1-CD1 3.58Å; Y393-Y423 HydrophobicContact CD1-CD2 4.3Å; Y393-Y423 AromaticContact CD1-CE1 3.57Å; Y393-Y423 HydrophobicContact CD1-CE1 3.57Å; Y393-Y423 HydrophobicContact CD1-CE2 4.3Å; Y393-Y423 AromaticContact CD1-CG 3.95Å; Y393-Y423 HydrophobicContact CD1-CG 3.95Å; Y393-Y423 AromaticContact CD1-CZ 3.94Å; Y393-Y423 AromaticContact CE1-CD1 3.89Å; Y393-Y423 HydrophobicContact CE1-CD1 3.89Å; Y393-Y423 HydrophobicContact CE1-CE1 4.14Å; Y393-Y423 HydrophobicContact CE1-CG 4.44Å; S394-Y423 PolarHBondContact N-OH 3.39Å; L397-Y423 HydrophobicContact CB-CE2 4.4Å; V398-Y423 HydrophobicContact CG2-CD2 3.82Å; V398-Y423 HydrophobicContact CG2-CE2 3.93Å; Y423-F425 HydrophobicContact CE1-CB 4.32Å
424	R	90.1	Very high	91	Very high	143 Å²	143	63.1 Å²	63.1	54%	0.54	31%	0.309	S	S	.	.			trans	-141.6	119.6	171.8	-171.9	176.9	72.2	175.7	5.4	109.8	M422	M422-R424 PolarHBondContact O-N 2.84Å
425	F	90.3	Very high	91.2	Very high	70 Å²	70	61.4 Å²	61.4	31%	0.307	30%	0.299	S	S	.	.			trans	-65.6	137.2	174.1	-179.4	-109.8	0	0	0	111.4	L212 G213 K214 L397 Y423 E427	L212-F425 WeakPolarHBondContact O-CE2 3.49Å; G213-F425 VanDerWaalsContact CA-CE2 3.48Å; K214-F425 HydrophobicContact CG-CE1 4.31Å; K214-F425 HydrophobicContact CG-CZ 3.89Å; L397-F425 HydrophobicContact CD1-CD2 3.87Å; L397-F425 HydrophobicContact CD1-CE2 4.45Å; Y423-F425 HydrophobicContact CE1-CB 4.32Å; F425-E427 HydrophobicContact CE1-CG 3.83Å; F425-E427 HydrophobicContact CZ-CG 3.82Å
426	T	86.9	Confident	91.5	Very high	44 Å²	44	60.8 Å²	60.8	27%	0.27	29%	0.294	S	S	.	.			trans	-145.4	148.5	173.8	-174.8	0	0	0	0	110.7	L397 E428 P430	L397-T426 HydrophobicContact CD1-CG2 4.18Å; L397-T426 HydrophobicContact CD2-CG2 4.01Å; T426-E428 PolarHBondContact OG1-N 3.47Å; T426-E428 VanDerWaalsContact OG1-N 3.17Å; T426-P430 HydrophobicContact CG2-CB 4.45Å
427	E	80.3	Confident	91.6	Very high	143 Å²	143	59.9 Å²	59.9	67%	0.668	29%	0.292	S	S	*	.	S	Bend	trans	-101.5	-11	171.1	-60.6	-171.8	-163.6	0	0	112.3	K214 F425	K214-E427 VanDerWaalsContact CE-CD 3.49Å; K214-E427 WeakPolarHBondContact CE-OE1 3.17Å; K214-E427 IonicContact NZ-OE1 3.95Å; K214-E427 PolarHBondContact NZ-OE1 3.45Å; K214-E427 IonicContact NZ-OE2 2.83Å; K214-E427 PolarHBondContact NZ-OE2 2.95Å; K214-E427 VanDerWaalsContact NZ-OE2 3.11Å; F425-E427 HydrophobicContact CE1-CG 3.83Å; F425-E427 HydrophobicContact CZ-CG 3.82Å
428	E	80.6	Confident	91.5	Very high	147 Å²	147	60.8 Å²	60.8	69%	0.687	30%	0.303	S	S	*	.	S	Bend	trans	-78	160.8	177.5	-63.5	-174.4	175.9	0	0	110.9	T426 P430	T426-E428 PolarHBondContact OG1-N 3.47Å; T426-E428 VanDerWaalsContact OG1-N 3.17Å; E428-P430 WeakPolarHBondContact O-CD 3.38Å; E428-P430 VanDerWaalsContact O-N 3.13Å
429	P	80.5	Confident	91.5	Very high	121 Å²	121	59.9 Å²	59.9	79%	0.786	30%	0.298	S	S	*	.			trans	-50.9	121.9	172.4	-26.1	35.3	0	0	0	110.4	L431	P429-L431 PolarHBondContact O-N 3.12Å
430	P	82.4	Confident	91.4	Very high	16 Å²	16	62.5 Å²	62.5	10%	0.104	31%	0.31	C	S	.	.			trans	-78.6	-18.4	-164.6	28.7	-35.8	0	0	0	113.8	L147 F396 L397 L418 T426 E428 H432	L147-P430 HydrophobicContact CD1-CG 3.46Å; L147-P430 VanDerWaalsContact CD1-CG 3.46Å; L147-P430 HydrophobicContact CD2-CG 3.77Å; L147-P430 HydrophobicContact CG-CG 4.27Å; F396-P430 HydrophobicContact CE1-CG 4.21Å; F396-P430 HydrophobicContact CZ-CG 4.15Å; L397-P430 HydrophobicContact CD2-CB 3.85Å; L397-P430 HydrophobicContact CD2-CG 4.35Å; L418-P430 HydrophobicContact CD1-CB 4.28Å; T426-P430 HydrophobicContact CG2-CB 4.45Å; E428-P430 WeakPolarHBondContact O-CD 3.38Å; E428-P430 VanDerWaalsContact O-N 3.13Å; P430-H432 PolarHBondContact O-N 2.98Å
431	L	93.8	Very high	91.3	Very high	38 Å²	38	70.7 Å²	70.7	20%	0.199	34%	0.342	C	S	.	.			trans	-76.8	116	-178	-68.7	-177.3	0	0	0	111.7	L147 W148 V151 L418 P429 D435 V436	L147-L431 HydrophobicContact CB-CD1 4.03Å; L147-L431 HydrophobicContact CB-CG 4.26Å; L147-L431 WeakPolarHBondContact O-CD1 3.3Å; W148-L431 HydrophobicContact CE3-CD2 4.09Å; W148-L431 HydrophobicContact CH2-CD2 3.67Å; W148-L431 HydrophobicContact CZ2-CD2 4.16Å; W148-L431 HydrophobicContact CZ3-CD2 3.63Å; V151-L431 HydrophobicContact CG1-CD1 4.34Å; V151-L431 HydrophobicContact CG2-CD1 4.14Å; L418-L431 HydrophobicContact CB-CD2 4.44Å; L418-L431 HydrophobicContact CD2-CD2 3.73Å; P429-L431 PolarHBondContact O-N 3.12Å; L431-D435 HydrophobicContact CD2-CB 3.97Å; L431-V436 HydrophobicContact CB-CG2 4.21Å; L431-V436 HydrophobicContact CD1-CG2 4.49Å
432	H	95.9	Very high	91.1	Very high	69 Å²	69	71.8 Å²	71.8	32%	0.319	35%	0.348	S	S	.	.			trans	-81.2	163.4	168.7	-175	-107.9	0	0	0	110.7	A417 P430 D434 D435 V436	A417-H432 HydrophobicContact CB-CB 4.16Å; P430-H432 PolarHBondContact O-N 2.98Å; H432-D434 VanDerWaalsContact ND1-CB 3.32Å; H432-D434 WeakPolarHBondContact ND1-CB 3.39Å; H432-D434 PolarHBondContact ND1-N 3.39Å; H432-D434 VanDerWaalsContact ND1-N 3.14Å; H432-D434 PolarHBondContact O-N 2.64Å; H432-D435 WeakPolarHBondContact CA-OD2 3.4Å; H432-D435 VanDerWaalsContact CB-OD2 3.27Å; H432-D435 WeakPolarHBondContact CB-OD2 3.07Å; H432-D435 PolarHBondContact N-OD2 2.68Å; H432-D435 PolarHBondContact O-N 3.41Å; H432-D435 VanDerWaalsContact O-N 3.16Å; H432-V436 WeakPolarHBondContact O-CG2 3.37Å; H432-V436 PolarHBondContact O-N 2.82Å; H432-V436 VanDerWaalsContact O-N 3.13Å
433	K	95.6	Very high	91.1	Very high	153 Å²	153	71.5 Å²	71.5	67%	0.665	35%	0.346	S	S	*	.	H	α-helix	trans	-57.8	-32.5	176.7	-173.6	177.9	-179.3	-178.2	0	112.4	V436 N437	K433-V436 PolarHBondContact O-N 3.38Å; K433-N437 WeakPolarHBondContact O-CB 3.35Å; K433-N437 PolarHBondContact O-N 3.35Å; K433-N437 PolarHBondContact O-ND2 3.25Å; K433-N437 VanDerWaalsContact O-ND2 3.16Å; K433-N437 PolarHBondContact O-OD1 3.12Å
434	D	95.7	Very high	91.1	Very high	65 Å²	65	70.8 Å²	70.8	35%	0.348	35%	0.352	S	S	.	.	H	α-helix	trans	-63	-47.9	177.1	-166.3	61.3	0	0	0	111.6	S412 V414 A417 H432 V436 N437 G438	S412-D434 WeakPolarHBondContact CB-OD2 3.47Å; S412-D434 PolarHBondContact OG-OD2 2.83Å; V414-D434 HydrophobicContact CG2-CB 4.39Å; A417-D434 HydrophobicContact CB-CB 4.35Å; H432-D434 VanDerWaalsContact ND1-CB 3.32Å; H432-D434 WeakPolarHBondContact ND1-CB 3.39Å; H432-D434 PolarHBondContact ND1-N 3.39Å; H432-D434 VanDerWaalsContact ND1-N 3.14Å; H432-D434 PolarHBondContact O-N 2.64Å; D434-V436 PolarHBondContact O-N 2.74Å; D434-N437 PolarHBondContact O-N 2.94Å; D434-G438 PolarHBondContact O-N 2.67Å
435	D	97.1	Very high	91.2	Very high	3 Å²	3	67.6 Å²	67.6	2%	0.016	35%	0.352	C	S	.	.	H	α-helix	trans	-60.2	-45.3	176.2	-50.2	-60.3	0	0	0	111.3	W148 L418 M419 L431 H432 N437 G438 I439	W148-D435 HydrophobicContact CH2-CB 4.17Å; W148-D435 HydrophobicContact CZ3-CB 4.24Å; L418-D435 PolarHBondContact N-OD1 2.89Å; L418-D435 PolarHBondContact N-OD2 2.85Å; M419-D435 WeakPolarHBondContact CB-OD1 3.21Å; M419-D435 WeakPolarHBondContact CG-OD1 3.43Å; M419-D435 PolarHBondContact N-OD1 3.41Å; L431-D435 HydrophobicContact CD2-CB 3.97Å; H432-D435 WeakPolarHBondContact CA-OD2 3.4Å; H432-D435 VanDerWaalsContact CB-OD2 3.27Å; H432-D435 WeakPolarHBondContact CB-OD2 3.07Å; H432-D435 PolarHBondContact N-OD2 2.68Å; H432-D435 PolarHBondContact O-N 3.41Å; H432-D435 VanDerWaalsContact O-N 3.16Å; D435-N437 PolarHBondContact O-N 2.67Å; D435-G438 PolarHBondContact O-N 3.14Å; D435-I439 WeakPolarHBondContact O-CG2 3.42Å; D435-I439 PolarHBondContact O-N 2.88Å
436	V	96.9	Very high	90.9	Very high	29 Å²	29	71.6 Å²	71.6	18%	0.176	37%	0.365	C	S	.	.	H	α-helix	trans	-62.3	-44.6	179.2	176.5	0	0	0	0	111	V151 L431 H432 K433 D434 I439 Q440	V151-V436 HydrophobicContact CB-CG1 4.38Å; V151-V436 HydrophobicContact CG1-CG2 4.31Å; L431-V436 HydrophobicContact CB-CG2 4.21Å; L431-V436 HydrophobicContact CD1-CG2 4.49Å; H432-V436 WeakPolarHBondContact O-CG2 3.37Å; H432-V436 PolarHBondContact O-N 2.82Å; H432-V436 VanDerWaalsContact O-N 3.13Å; K433-V436 PolarHBondContact O-N 3.38Å; D434-V436 PolarHBondContact O-N 2.74Å; V436-I439 WeakPolarHBondContact O-CG2 3.43Å; V436-Q440 HydrophobicContact CG1-CG 4.26Å; V436-Q440 VanDerWaalsContact O-CB 3.24Å; V436-Q440 WeakPolarHBondContact O-CB 3.31Å; V436-Q440 WeakPolarHBondContact O-CG 3.26Å; V436-Q440 PolarHBondContact O-N 2.84Å
437	N	94.3	Very high	90.4	Very high	84 Å²	84	74 Å²	74	45%	0.449	38%	0.381	S	S	.	.	H	α-helix	trans	-63.7	-42.7	177.4	-67.3	-22.9	0	0	0	111.3	K433 D434 D435 Y441	K433-N437 WeakPolarHBondContact O-CB 3.35Å; K433-N437 PolarHBondContact O-N 3.35Å; K433-N437 PolarHBondContact O-ND2 3.25Å; K433-N437 VanDerWaalsContact O-ND2 3.16Å; K433-N437 PolarHBondContact O-OD1 3.12Å; D434-N437 PolarHBondContact O-N 2.94Å; D435-N437 PolarHBondContact O-N 2.67Å; N437-Y441 VanDerWaalsContact O-CB 3.28Å; N437-Y441 WeakPolarHBondContact O-CB 3.27Å; N437-Y441 PolarHBondContact O-N 3.34Å
438	G	92.8	Very high	89.7	Confident	27 Å²	27	75.4 Å²	75.4	28%	0.278	39%	0.388	S	S	.	.	H	α-helix	trans	-61	-50.3	178.7	0	0	0	0	0	112	L409 D434 D435 Y441 L442	L409-G438 VanDerWaalsContact CD2-C 3.48Å; D434-G438 PolarHBondContact O-N 2.67Å; D435-G438 PolarHBondContact O-N 3.14Å; G438-Y441 WeakPolarHBondContact O-CB 3.48Å; G438-Y441 PolarHBondContact O-N 3.18Å; G438-L442 PolarHBondContact O-N 3.38Å
439	I	95.6	Very high	88.5	Confident	0 Å²	0	74 Å²	74	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-71.4	-36.7	-176.6	-160.4	70.5	0	0	0	112.1	W148 V151 T152 L407 L409 D435 V436 Y441 L442 Y443	W148-I439 HydrophobicContact CE3-CB 4.04Å; W148-I439 HydrophobicContact CE3-CD1 4.28Å; W148-I439 HydrophobicContact CE3-CG1 3.89Å; W148-I439 HydrophobicContact CE3-CG2 4.06Å; W148-I439 HydrophobicContact CZ3-CB 4.01Å; W148-I439 HydrophobicContact CZ3-CG1 4.31Å; W148-I439 HydrophobicContact CZ3-CG2 4.13Å; V151-I439 HydrophobicContact CG2-CG2 3.86Å; T152-I439 HydrophobicContact CG2-CB 4.28Å; T152-I439 HydrophobicContact CG2-CG1 3.65Å; T152-I439 HydrophobicContact CG2-CG2 3.76Å; L407-I439 HydrophobicContact CB-CD1 3.79Å; L407-I439 HydrophobicContact CD1-CD1 4.07Å; L409-I439 HydrophobicContact CD1-CB 4.2Å; L409-I439 HydrophobicContact CD1-CD1 4.05Å; L409-I439 HydrophobicContact CD2-CB 4.33Å; L409-I439 HydrophobicContact CD2-CD1 4.21Å; L409-I439 HydrophobicContact CG-CD1 3.98Å; D435-I439 WeakPolarHBondContact O-CG2 3.42Å; D435-I439 PolarHBondContact O-N 2.88Å; V436-I439 WeakPolarHBondContact O-CG2 3.43Å; I439-Y441 VanDerWaalsContact C-N 3.29Å; I439-Y441 PolarHBondContact O-N 3.2Å; I439-L442 PolarHBondContact O-N 3.09Å; I439-Y443 HydrophobicContact CD1-CD2 3.69Å; I439-Y443 HydrophobicContact CD1-CE2 3.66Å; I439-Y443 HydrophobicContact CG1-CD2 3.95Å; I439-Y443 HydrophobicContact CG1-CE2 4.42Å; I439-Y443 WeakPolarHBondContact O-CD2 3.08Å; I439-Y443 PolarHBondContact O-N 2.91Å
440	Q	95.4	Very high	86.8	Confident	60 Å²	60	76.7 Å²	76.7	28%	0.28	39%	0.394	S	S	.	.	H	α-helix	trans	-71.5	-25.5	176	-70	-176.9	-11.1	0	0	112.4	V151 V436 L442 G444	V151-Q440 PolarHBondContact O-NE2 3.02Å; V436-Q440 HydrophobicContact CG1-CG 4.26Å; V436-Q440 VanDerWaalsContact O-CB 3.24Å; V436-Q440 WeakPolarHBondContact O-CB 3.31Å; V436-Q440 WeakPolarHBondContact O-CG 3.26Å; V436-Q440 PolarHBondContact O-N 2.84Å; Q440-L442 VanDerWaalsContact C-N 3.26Å; Q440-L442 PolarHBondContact O-N 2.58Å; Q440-G444 WeakPolarHBondContact O-CA 3.49Å; Q440-G444 PolarHBondContact O-N 3.01Å
441	Y	91.8	Very high	85	Confident	203 Å²	203	81.6 Å²	81.6	80%	0.796	43%	0.426	S	S	*	.	H	α-helix	trans	-63	-36.1	170.2	179.2	-95.6	0	0	0	111.6	N437 G438 I439	N437-Y441 VanDerWaalsContact O-CB 3.28Å; N437-Y441 WeakPolarHBondContact O-CB 3.27Å; N437-Y441 PolarHBondContact O-N 3.34Å; G438-Y441 WeakPolarHBondContact O-CB 3.48Å; G438-Y441 PolarHBondContact O-N 3.18Å; I439-Y441 VanDerWaalsContact C-N 3.29Å; I439-Y441 PolarHBondContact O-N 3.2Å
442	L	89.4	Confident	82.6	Confident	25 Å²	25	90.5 Å²	90.5	13%	0.131	46%	0.456	C	S	.	.	H	α-helix	trans	-79.5	-45.5	178.9	-62.7	177.3	0	0	0	112.9	K115 L409 G438 I439 Q440	K115-L442 HydrophobicContact CB-CB 4.3Å; K115-L442 HydrophobicContact CB-CD2 4.43Å; K115-L442 HydrophobicContact CD-CB 4.48Å; K115-L442 WeakPolarHBondContact CD-O 3.17Å; K115-L442 PolarHBondContact NZ-O 3.39Å; L409-L442 HydrophobicContact CD2-CD1 4Å; G438-L442 PolarHBondContact O-N 3.38Å; I439-L442 PolarHBondContact O-N 3.09Å; Q440-L442 VanDerWaalsContact C-N 3.26Å; Q440-L442 PolarHBondContact O-N 2.58Å
443	Y	94	Very high	80	Confident	15 Å²	15	92.1 Å²	92.1	6%	0.059	47%	0.473	C	S	.	.	H	α-helix	trans	-116.4	-5.1	-167	-60.5	-76	0	0	0	115.1	K115 W116 P153 L154 L407 I439	K115-Y443 WeakPolarHBondContact CA-OH 3.27Å; K115-Y443 HydrophobicContact CB-CE1 3.95Å; K115-Y443 HydrophobicContact CB-CE2 4.46Å; W116-Y443 HydrophobicContact CB-CE1 4.18Å; W116-Y443 PolarHBondContact N-OH 3.22Å; P153-Y443 WeakPolarHBondContact CD-O 3.48Å; L154-Y443 HydrophobicContact CD1-CD1 4.12Å; L154-Y443 HydrophobicContact CD1-CD2 3.87Å; L154-Y443 HydrophobicContact CD1-CE1 4.27Å; L154-Y443 HydrophobicContact CD1-CE2 4.05Å; L154-Y443 HydrophobicContact CD1-CG 3.9Å; L154-Y443 HydrophobicContact CD2-CD1 3.61Å; L154-Y443 HydrophobicContact CD2-CE1 3.93Å; L154-Y443 HydrophobicContact CD2-CG 4.08Å; L154-Y443 HydrophobicContact CG-CD1 4.11Å; L154-Y443 HydrophobicContact CG-CG 4.06Å; L407-Y443 HydrophobicContact CB-CE2 4.19Å; L407-Y443 VanDerWaalsContact O-CE2 3.24Å; L407-Y443 WeakPolarHBondContact O-CE2 3.48Å; L407-Y443 PolarHBondContact O-OH 3.46Å; I439-Y443 HydrophobicContact CD1-CD2 3.69Å; I439-Y443 HydrophobicContact CD1-CE2 3.66Å; I439-Y443 HydrophobicContact CG1-CD2 3.95Å; I439-Y443 HydrophobicContact CG1-CE2 4.42Å; I439-Y443 WeakPolarHBondContact O-CD2 3.08Å; I439-Y443 PolarHBondContact O-N 2.91Å
444	G	93	Very high	77.3	Confident	31 Å²	31	90.7 Å²	90.7	32%	0.32	48%	0.479	S	S	.	.			trans	79.3	170	-172.2	0	0	0	0	0	113.2	P153 Q440	P153-G444 WeakPolarHBondContact CD-O 3.42Å; Q440-G444 WeakPolarHBondContact O-CA 3.49Å; Q440-G444 PolarHBondContact O-N 3.01Å
445	S	92.7	Very high	74.5	Confident	76 Å²	76	93.4 Å²	93.4	53%	0.531	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-79.6	151.9	172.4	56.3	0	0	0	0	111
446	R	85.1	Confident	71.4	Confident	155 Å²	155	99.4 Å²	99.4	59%	0.585	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-57.9	128.1	173.3	-171	173.8	-179.8	176.5	4.7	110.2	A150 V151 E448	A150-R446 WeakPolarHBondContact O-CD 3.3Å; V151-R446 PolarHBondContact O-N 2.9Å; R446-E448 PolarHBondContact O-N 3.18Å
447	P	75.4	Confident	68.5	Low	94 Å²	94	104.6 Å²	104.6	61%	0.61	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-63.3	127.2	177.7	23.2	-31.5	0	0	0	109.9
448	E	65.6	Low	65.6	Low	172 Å²	172	106.6 Å²	106.6	80%	0.804	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-62.8	134	174.3	-156.3	171.1	-158	0	0	108.3	R446 E450	R446-E448 PolarHBondContact O-N 3.18Å; E448-E450 PolarHBondContact O-N 2.81Å; E448-E450 VanDerWaalsContact O-N 3.1Å
449	P	55.1	Low	62.9	Low	117 Å²	117	111.1 Å²	111.1	76%	0.76	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-58.8	121.7	173.2	22.3	-29.7	0	0	0	108.2
450	E	44.9	Very low	60	Low	179 Å²	179	119.9 Å²	119.9	84%	0.836	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-47.1	132.5	-178.9	-78.4	-173.7	156.8	0	0	110.3	E448 R452	E448-E450 PolarHBondContact O-N 2.81Å; E448-E450 VanDerWaalsContact O-N 3.1Å; E450-R452 PolarHBondContact O-N 2.71Å
451	P	44.8	Very low	57.1	Low	119 Å²	119	122.9 Å²	122.9	77%	0.773	67%	0.673	S	S	*	*			trans	-59.2	109.5	173.7	21.3	-29.1	0	0	0	108.1
452	R	43.8	Very low	54.6	Low	224 Å²	224	120 Å²	120	85%	0.845	68%	0.676	S	S	*	*			trans	-53.9	124.1	-179.8	-163	-179.1	-80.5	-149.1	-1.6	107.9	E450	E450-R452 PolarHBondContact O-N 2.71Å
453	P	42	Very low	51.9	Low	103 Å²	103	123 Å²	123	67%	0.669	71%	0.705	S	S	*	*			trans	-59	144.5	-179.2	20.3	-29.9	0	0	0	110.1	T455	P453-T455 PolarHBondContact O-N 2.76Å
454	P	39	Very low	49.1	Very low	123 Å²	123	128.1 Å²	128.1	80%	0.799	74%	0.74	S	S	*	*			trans	-61.8	112.9	-174	23	-31.6	0	0	0	110.1	T456	P454-T456 PolarHBondContact O-N 2.88Å
455	T	34.9	Very low	46.7	Very low	122 Å²	122	132.1 Å²	132.1	75%	0.748	76%	0.761	S	S	*	*			trans	-61.8	110.2	174.8	-39	0	0	0	0	108.7	P453 T457	P453-T455 PolarHBondContact O-N 2.76Å; T455-T457 PolarHBondContact O-N 3.48Å; T455-T457 VanDerWaalsContact O-N 3.12Å
456	T	32.4	Very low	43.7	Very low	129 Å²	129	135.4 Å²	135.4	79%	0.791	78%	0.777	S	S	*	*			trans	-64.6	111.4	174.3	-34.8	0	0	0	0	108.4	P454 T458	P454-T456 PolarHBondContact O-N 2.88Å; T456-T458 PolarHBondContact O-N 3.23Å
457	T	37.1	Very low	41.2	Very low	139 Å²	139	133.9 Å²	133.9	85%	0.853	79%	0.785	S	S	*	*			trans	-72.3	112.4	175.3	16	0	0	0	0	108.9	T455	T455-T457 PolarHBondContact O-N 3.48Å; T455-T457 VanDerWaalsContact O-N 3.12Å
458	T	32.2	Very low	38.9	Very low	125 Å²	125	135.2 Å²	135.2	77%	0.767	80%	0.796	S	S	*	*			trans	-104.7	126.6	161.7	-47	0	0	0	0	107.4	T456	T456-T458 PolarHBondContact O-N 3.23Å
459	P	37.6	Very low	37.5	Very low	122 Å²	122	132.5 Å²	132.5	79%	0.792	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-78.4	127.8	-166.5	28.4	-32.3	0	0	0	112.4
460	Q	33.8	Very low	36.4	Very low	185 Å²	185	133.9 Å²	133.9	86%	0.864	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-92.7	135.2	166.4	-169.8	167.9	-32.7	0	0	109.6
461	P	35.5	Very low	35.7	Very low	122 Å²	122	128.8 Å²	128.8	79%	0.792	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-68.9	147	-172.3	-18.7	31.9	0	0	0	114.6
462	T	37.7	Very low	35.3	Very low	142 Å²	142	128.9 Å²	128.9	87%	0.871	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-67.6	140	-173.1	-27.3	0	0	0	0	113.4
463	A	32.8	Very low	35	Very low	90 Å²	90	124.3 Å²	124.3	74%	0.744	79%	0.794	S	S	*	*			trans	-115	142.1	155.1	0	0	0	0	0	109.5
464	P	36.6	Very low	34.6	Very low	121 Å²	121	125.6 Å²	125.6	79%	0.786	80%	0.801	S	S	*	*			trans	-82.4	164.4	-164.1	-7.2	26.5	0	0	0	114.1
465	P	40.9	Very low	34.2	Very low	116 Å²	116	126.4 Å²	126.4	75%	0.753	80%	0.803	S	S	*	*			trans	-88.3	152.4	-163.5	35.9	-33.1	0	0	0	112.3
466	T	31.3	Very low	34	Very low	144 Å²	144	131.4 Å²	131.4	88%	0.883	81%	0.808	S	S	*	*			trans	-126.9	120.2	158.7	-54.6	0	0	0	0	110.1
467	V	31.9	Very low	34.7	Very low	124 Å²	124	130.1 Å²	130.1	75%	0.752	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-65.8	136.7	-178.3	177	0	0	0	0	110.2
468	C	26.1	Very low	34.4	Very low	122 Å²	122	128.1 Å²	128.1	82%	0.824	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-103.3	117.2	171.7	-150.6	0	0	0	0	108.7
469	P	36.3	Very low	34.4	Very low	115 Å²	115	129.1 Å²	129.1	75%	0.747	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-88.9	139.4	169.1	24.5	-13.9	0	0	0	111.6
470	T	32.6	Very low	34.2	Very low	146 Å²	146	134.3 Å²	134.3	90%	0.896	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-62.3	143.2	175.4	45.5	0	0	0	0	114.9
471	G	30.9	Very low	34.7	Very low	72 Å²	72	130.2 Å²	130.2	74%	0.742	79%	0.788	S	S	*	*			trans	117.9	164.4	146.9	0	0	0	0	0	116.6
472	P	35.6	Very low	34.7	Very low	120 Å²	120	131.4 Å²	131.4	78%	0.779	79%	0.793	S	S	*	*				-117	165.1	-87	33.6	-24.6	0	0	0	113.3
473	P	37	Very low	34.5	Very low	128 Å²	128	128.8 Å²	128.8	83%	0.831	79%	0.786	S	S	*	*			trans	-83.5	133.1	-170.9	33.2	-31.3	0	0	0	111.5
474	T	33.4	Very low	34.5	Very low	131 Å²	131	128.3 Å²	128.3	80%	0.804	79%	0.79	S	S	*	*			trans	-124.8	124.8	167.7	28.9	0	0	0	0	110.1
475	V	30.8	Very low	34.8	Very low	139 Å²	139	127.5 Å²	127.5	84%	0.842	79%	0.785	S	S	*	*			trans	88.9	108.2	145.5	-175.2	0	0	0	0	118.3
476	R	31.7	Very low	34.5	Very low	227 Å²	227	129 Å²	129	86%	0.857	79%	0.791	S	S	*	*			trans	-65.7	174.7	150.1	-124.9	-171.7	174.2	-168.4	-0.7	110.4
477	P	46.6	Very low	34.4	Very low	103 Å²	103	125.4 Å²	125.4	67%	0.669	78%	0.783	S	S	*	*			cis	-138.3	-165	-10.4	37.4	-15.6	0	0	0	113.1
478	S	30.4	Very low	34.9	Very low	96 Å²	96	125.7 Å²	125.7	67%	0.671	79%	0.788	S	S	*	*			trans	87.6	134.2	163	-83	0	0	0	0	116.3
479	D	31.9	Very low	35.8	Very low	147 Å²	147	125.6 Å²	125.6	79%	0.786	79%	0.786	S	S	*	*			cis	-152.7	155.5	12	-86.5	-40.6	0	0	0	111.5
480	R	35.4	Very low	35.6	Very low	230 Å²	230	126.1 Å²	126.1	87%	0.868	79%	0.792	S	S	*	*			trans	-37.3	-178.1	171.5	-147	-165	172.7	177.5	-1.6	117
481	P	43	Very low	35.5	Very low	99 Å²	99	123.6 Å²	123.6	64%	0.643	79%	0.786	S	S	*	*				-110.8	162.8	-76.6	33.5	-18.6	0	0	0	112.2
482	T	35.5	Very low	35.5	Very low	147 Å²	147	123.4 Å²	123.4	90%	0.902	78%	0.784	S	S	*	*			trans	-130.2	113.8	157.7	-41.8	0	0	0	0	110.5
483	A	33.2	Very low	35.7	Very low	87 Å²	87	123.9 Å²	123.9	72%	0.719	79%	0.787	S	S	*	*			trans	-68.2	139.9	166	0	0	0	0	0	109.9
484	G	32.7	Very low	35.6	Very low	81 Å²	81	124.9 Å²	124.9	84%	0.835	79%	0.791	S	S	*	*			trans	-99.2	127.9	161.1	0	0	0	0	0	109.9
485	P	44.2	Very low	35.4	Very low	104 Å²	104	121.9 Å²	121.9	68%	0.675	79%	0.786	S	S	*	*			trans	-117.2	148.7	163.4	35.3	-24	0	0	0	113
486	T	34.3	Very low	35.9	Very low	146 Å²	146	121.1 Å²	121.1	90%	0.896	78%	0.784	S	S	*	*			trans	65.9	136	145.1	47.2	0	0	0	0	120.1
487	G	29.6	Very low	36	Very low	69 Å²	69	115.9 Å²	115.9	71%	0.711	78%	0.78	S	S	*	*			cis	-178.1	-149.7	9.7	0	0	0	0	0	108.2
488	P	40.7	Very low	35.2	Very low	130 Å²	130	117.1 Å²	117.1	84%	0.844	79%	0.785	S	S	*	*			cis	-127.7	-179.4	-35	39.2	-22.2	0	0	0	113.2
489	P	46.3	Very low	35.4	Very low	121 Å²	121	117.6 Å²	117.6	79%	0.786	80%	0.795	S	S	*	*			trans	-107.7	152.5	-177.6	38.3	-28.6	0	0	0	115
490	S	31.8	Very low	35.3	Very low	126 Å²	126	113.5 Å²	113.5	88%	0.881	79%	0.788	S	S	*	*			trans	170.6	152.1	157.6	-97.4	0	0	0	0	110.3
491	A	30.3	Very low	35.5	Very low	92 Å²	92	108.7 Å²	108.7	76%	0.76	79%	0.786	S	S	*	*			cis	-160.6	162.7	1.1	0	0	0	0	0	108.2
492	G	30.8	Very low	34.9	Very low	69 Å²	69	110.1 Å²	110.1	71%	0.711	80%	0.799	S	S	*	*			trans	-65.6	-173.6	173.9	0	0	0	0	0	114.5
493	P	39.7	Very low	34.7	Very low	129 Å²	129	108.7 Å²	108.7	84%	0.838	79%	0.79	S	S	*	*				-139.4	159.3	89.4	34.5	-18.8	0	0	0	116.2
494	T	35.2	Very low	34.6	Very low	150 Å²	150	110.9 Å²	110.9	92%	0.92	80%	0.795	S	S	*	*			trans	-44	142.4	164.7	13.9	0	0	0	0	116.5
495	G	29	Very low	34.5	Very low	67 Å²	67	112.7 Å²	112.7	69%	0.691	79%	0.789	S	S	*	*			trans	177.9	122.8	156.3	0	0	0	0	0	111.8
496	P	40.9	Very low	34.2	Very low	123 Å²	123	113.2 Å²	113.2	80%	0.799	79%	0.793	S	S	*	*			trans	-94.9	151.1	179.2	35.9	-29.5	0	0	0	111.9
497	P	33.4	Very low	34.1	Very low	118 Å²	118	112.2 Å²	112.2	77%	0.766	79%	0.786	S	S	*	*			trans	-122.2	111.5	147.9	30.7	-16.1	0	0	0	108.9
498	T	30.5	Very low	34.4	Very low	129 Å²	129	114.8 Å²	114.8	79%	0.791	79%	0.79	S	S	*	*				61.1	104.8	89.7	-48.2	0	0	0	0	112.3
499	A	35.8	Very low	34.3	Very low	105 Å²	105	114.4 Å²	114.4	87%	0.868	78%	0.78	S	S	*	*			trans	-63.5	136.7	163.8	0	0	0	0	0	110.7
500	G	28.3	Very low	34.2	Very low	62 Å²	62	113.9 Å²	113.9	64%	0.639	77%	0.771	S	S	*	*			trans	-166.1	136.8	166.7	0	0	0	0	0	109.6
501	P	41.3	Very low	34.8	Very low	129 Å²	129	112.5 Å²	112.5	84%	0.838	76%	0.759	S	S	*	*			trans	-84.3	135.3	-167.7	33.6	-31.7	0	0	0	111.2
502	S	28.7	Very low	35.7	Very low	129 Å²	129	114.1 Å²	114.1	90%	0.902	76%	0.759	S	S	*	*			trans	-116.1	98.9	164.2	-66.9	0	0	0	0	109.3
503	T	32.5	Very low	37.1	Very low	117 Å²	117	112.7 Å²	112.7	72%	0.718	74%	0.735	S	S	*	*			trans	-70	167	157	31.7	0	0	0	0	111.2
504	T	31.1	Very low	38.9	Very low	133 Å²	133	109.8 Å²	109.8	82%	0.816	71%	0.713	S	S	*	*			trans	79.1	122.2	170.2	39.7	0	0	0	0	116.1
505	T	29.9	Very low	41.2	Very low	118 Å²	118	102.6 Å²	102.6	72%	0.724	67%	0.669	S	S	*	*			cis	-158.1	155.6	22	-40.5	0	0	0	0	109.2
506	P	37.8	Very low	43.8	Very low	116 Å²	116	100.9 Å²	100.9	75%	0.753	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-73.6	128.6	-179.6	-5.3	22.9	0	0	0	110.6
507	V	31.7	Very low	45.8	Very low	125 Å²	125	99.4 Å²	99.4	76%	0.758	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-69	133.7	159.1	179.7	0	0	0	0	106.5	L509	V507-L509 PolarHBondContact O-N 3.36Å; V507-L509 VanDerWaalsContact O-N 3.09Å
508	P	36.9	Very low	48.3	Very low	122 Å²	122	94.8 Å²	94.8	79%	0.792	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-64.5	116.5	176.1	-7.8	22.5	0	0	0	107.8
509	L	38.1	Very low	50.7	Low	122 Å²	122	93 Å²	93	64%	0.639	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-62.5	141.5	166.6	-75.8	161.8	0	0	0	107.8	V507	V507-L509 PolarHBondContact O-N 3.36Å; V507-L509 VanDerWaalsContact O-N 3.09Å
510	N	44.3	Very low	53.2	Low	111 Å²	111	91.3 Å²	91.3	59%	0.594	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-53	140.1	174.1	-119.5	-24.1	0	0	0	109.2	V512 D513	N510-V512 PolarHBondContact O-N 3.17Å; N510-D513 WeakPolarHBondContact CB-OD2 3.48Å; N510-D513 PolarHBondContact O-N 2.83Å
511	P	45.3	Very low	56.3	Low	96 Å²	96	88.6 Å²	88.6	62%	0.623	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-10	-179.1	-22.9	31.6	0	0	0	115.2	N517	P511-N517 PolarHBondContact O-ND2 2.01Å
512	V	48.8	Very low	58.8	Low	127 Å²	127	83 Å²	83	77%	0.77	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-10.1	-179.1	-169.2	0	0	0	0	112.2	N510	N510-V512 PolarHBondContact O-N 3.17Å
513	D	60.9	Low	61.9	Low	38 Å²	38	76.9 Å²	76.9	20%	0.203	45%	0.453	C	S	.	.	S	Bend	trans	-107.8	4.3	-174.5	-65.1	-49.2	0	0	0	113.8	N510 W540 P553	N510-D513 WeakPolarHBondContact CB-OD2 3.48Å; N510-D513 PolarHBondContact O-N 2.83Å; D513-W540 PolarHBondContact O-NE1 2.81Å; D513-P553 HydrophobicContact CB-CG 4.1Å
514	D	77.4	Confident	64.9	Low	68 Å²	68	71.4 Å²	71.4	36%	0.364	42%	0.419	S	S	.	.			trans	-87.7	125.5	179.2	-165	-13.4	0	0	0	111.5	C516 N517	D514-C516 PolarHBondContact O-N 3.46Å; D514-C516 WeakPolarHBondContact OD1-CB 3.49Å; D514-C516 PolarHBondContact OD1-N 1.98Å; D514-N517 PolarHBondContact O-N 3.09Å
515	A	82.8	Confident	67.9	Low	0 Å²	0	65.4 Å²	65.4	0%	0	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-63.5	-21.9	176.2	0	0	0	0	0	112.2	N517 V518 F521 W540 L550 L702	A515-N517 PolarHBondContact O-N 3.41Å; A515-V518 WeakPolarHBondContact O-CB 3.4Å; A515-V518 PolarHBondContact O-N 3.41Å; A515-V518 VanDerWaalsContact O-N 3.17Å; A515-F521 HydrophobicContact CB-CE1 4.5Å; A515-F521 HydrophobicContact CB-CZ 4.25Å; A515-W540 HydrophobicContact CB-CB 4.46Å; A515-W540 HydrophobicContact CB-CD2 3.71Å; A515-W540 HydrophobicContact CB-CE3 4.28Å; A515-W540 HydrophobicContact CB-CG 3.78Å; A515-W540 HydrophobicContact CB-CZ2 4.41Å; A515-L550 HydrophobicContact CB-CD1 4.46Å; A515-L550 HydrophobicContact CB-CD2 3.54Å; A515-L702 HydrophobicContact CB-CD1 4.19Å
516	C	83.9	Confident	70.9	Confident	31 Å²	31	62.2 Å²	62.2	21%	0.209	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-65.6	-20.5	174.6	-66.3	0	0	0	0	113.4	D514 C704	D514-C516 PolarHBondContact O-N 3.46Å; D514-C516 WeakPolarHBondContact OD1-CB 3.49Å; D514-C516 PolarHBondContact OD1-N 1.98Å; C516-C704 WeakPolarHBondContact CA-SG 3.47Å; C516-C704 HydrophobicContact CB-CB 3.6Å; C516-C704 WeakPolarHBondContact CB-SG 2.96Å; C516-C704 WeakPolarHBondContact SG-CB 3.38Å; C516-C704 CovalentContact SG-SG 2.03Å; C516-C704 PolarHBondContact SG-SG 2.63Å
517	N	82.9	Confident	73.4	Confident	91 Å²	91	57.4 Å²	57.4	49%	0.487	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-94.7	0.9	177	-64.2	-26.2	0	0	0	112.9	P511 D514 A515	P511-N517 PolarHBondContact O-ND2 2.01Å; D514-N517 PolarHBondContact O-N 3.09Å; A515-N517 PolarHBondContact O-N 3.41Å
518	V	84.9	Confident	75.9	Confident	22 Å²	22	53.6 Å²	53.6	13%	0.133	31%	0.313	C	S	.	.			trans	-86.2	115.1	177.9	178.6	0	0	0	0	109.5	A515 I520 F521 K535 W540 T698	A515-V518 WeakPolarHBondContact O-CB 3.4Å; A515-V518 PolarHBondContact O-N 3.41Å; A515-V518 VanDerWaalsContact O-N 3.17Å; V518-I520 WeakPolarHBondContact CG1-O 3.45Å; V518-F521 HydrophobicContact CB-CD1 4.48Å; V518-F521 HydrophobicContact CB-CE1 3.81Å; V518-F521 HydrophobicContact CB-CE2 4.17Å; V518-F521 HydrophobicContact CB-CZ 3.63Å; V518-F521 HydrophobicContact CG1-CD1 3.75Å; V518-F521 HydrophobicContact CG1-CD2 4.16Å; V518-F521 HydrophobicContact CG1-CE1 3.58Å; V518-F521 HydrophobicContact CG1-CE2 4Å; V518-F521 HydrophobicContact CG1-CG 4.05Å; V518-F521 HydrophobicContact CG1-CZ 3.72Å; V518-F521 HydrophobicContact CG2-CE1 4.18Å; V518-F521 HydrophobicContact CG2-CZ 4.35Å; V518-K535 HydrophobicContact CG1-CB 4.47Å; V518-K535 HydrophobicContact CG1-CG 4.01Å; V518-W540 HydrophobicContact CG2-CH2 4.07Å; V518-T698 VanDerWaalsContact O-CG2 3.3Å; V518-T698 WeakPolarHBondContact O-CG2 3.43Å
519	N	81.2	Confident	78.1	Confident	91 Å²	91	53.6 Å²	53.6	49%	0.487	31%	0.306	S	S	.	.	S	Bend	trans	-77	-38.8	179.1	-70.1	-39.1	0	0	0	112.8	R677	N519-R677 WeakPolarHBondContact O-CA 2.97Å; N519-R677 VanDerWaalsContact O-CB 3.25Å; N519-R677 WeakPolarHBondContact O-CB 3.46Å
520	I	89	Confident	80.5	Confident	70 Å²	70	50.1 Å²	50.1	36%	0.359	29%	0.287	S	S	.	.	S	Bend	trans	-136.5	123.4	-175.7	-53.7	178.6	0	0	0	107.9	V518 K535 H662 D676	V518-I520 WeakPolarHBondContact CG1-O 3.45Å; I520-K535 WeakPolarHBondContact O-CD 3.37Å; I520-K535 VanDerWaalsContact O-CE 3.23Å; I520-K535 WeakPolarHBondContact O-CE 3.31Å; I520-H662 WeakPolarHBondContact CG2-NE2 2.97Å; I520-D676 WeakPolarHBondContact CD1-OD1 3.09Å
521	F	92.6	Very high	82.8	Confident	5 Å²	5	44.9 Å²	44.9	2%	0.022	26%	0.258	C	S	.	.			trans	-89.5	150.6	173.3	-68.7	-82.2	0	0	0	110	A515 V518 I524 L533 K535 W540 H662 V697 L702	A515-F521 HydrophobicContact CB-CE1 4.5Å; A515-F521 HydrophobicContact CB-CZ 4.25Å; V518-F521 HydrophobicContact CB-CD1 4.48Å; V518-F521 HydrophobicContact CB-CE1 3.81Å; V518-F521 HydrophobicContact CB-CE2 4.17Å; V518-F521 HydrophobicContact CB-CZ 3.63Å; V518-F521 HydrophobicContact CG1-CD1 3.75Å; V518-F521 HydrophobicContact CG1-CD2 4.16Å; V518-F521 HydrophobicContact CG1-CE1 3.58Å; V518-F521 HydrophobicContact CG1-CE2 4Å; V518-F521 HydrophobicContact CG1-CG 4.05Å; V518-F521 HydrophobicContact CG1-CZ 3.72Å; V518-F521 HydrophobicContact CG2-CE1 4.18Å; V518-F521 HydrophobicContact CG2-CZ 4.35Å; F521-I524 HydrophobicContact CB-CD1 4.07Å; F521-I524 HydrophobicContact CB-CG1 3.83Å; F521-I524 HydrophobicContact CD2-CD1 4.11Å; F521-I524 HydrophobicContact CG-CD1 4.33Å; F521-I524 HydrophobicContact CG-CG1 4.29Å; F521-L533 HydrophobicContact CD1-CB 3.69Å; F521-L533 HydrophobicContact CD1-CD2 4.21Å; F521-L533 HydrophobicContact CD2-CD2 3.93Å; F521-L533 HydrophobicContact CE1-CB 3.7Å; F521-L533 HydrophobicContact CE1-CD2 3.97Å; F521-L533 HydrophobicContact CE2-CD2 3.68Å; F521-L533 HydrophobicContact CG-CB 4.27Å; F521-L533 HydrophobicContact CG-CD2 4.19Å; F521-L533 HydrophobicContact CZ-CB 4.29Å; F521-L533 HydrophobicContact CZ-CD2 3.7Å; F521-K535 HydrophobicContact CD1-CB 4.19Å; F521-W540 HydrophobicContact CD1-CZ3 4.45Å; F521-W540 HydrophobicContact CE1-CE3 4.01Å; F521-W540 AromaticContact CE1-CZ3 3.97Å; F521-W540 HydrophobicContact CE1-CZ3 3.97Å; F521-H662 PolarHBondContact O-CD2 2.89Å; F521-V697 HydrophobicContact CD2-CG1 3.96Å; F521-V697 HydrophobicContact CE2-CG1 3.88Å; F521-L702 HydrophobicContact CE2-CD1 4.22Å; F521-L702 HydrophobicContact CZ-CD1 3.97Å
522	D	93.1	Very high	85.1	Confident	12 Å²	12	41.4 Å²	41.4	6%	0.064	23%	0.233	C	C	.	.	S	Bend	trans	-75.5	-44.4	179.4	-61.5	-27.6	0	0	0	110.4	F534 K535 D536 K566 L567	D522-F534 PolarHBondContact N-O 2.98Å; D522-K535 VanDerWaalsContact OD1-CD 3.27Å; D522-K535 WeakPolarHBondContact OD1-CD 3.3Å; D522-K535 IonicContact OD1-NZ 3.78Å; D522-K535 PolarHBondContact OD1-NZ 3.31Å; D522-K535 WeakPolarHBondContact OD2-CA 3.41Å; D522-K535 IonicContact OD2-NZ 2.77Å; D522-D536 PolarHBondContact OD2-N 3Å; D522-K566 HydrophobicContact CB-CG 4.11Å; D522-L567 CarbonylContact C-O 3.53Å; D522-L567 WeakPolarHBondContact CB-O 3.49Å
523	A	95.1	Very high	87.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	144.5	172.8	0	0	0	0	0	110.5	F534 L567	A523-F534 HydrophobicContact CB-CB 4.37Å; A523-F534 HydrophobicContact CB-CD2 4.43Å; A523-F534 WeakPolarHBondContact O-CB 3.49Å; A523-F534 WeakPolarHBondContact O-CD2 3.46Å; A523-F534 PolarHBondContact O-N 2.99Å; A523-L567 HydrophobicContact CB-CB 3.89Å
524	I	95.6	Very high	88.9	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.6	173.5	-56.9	171.4	0	0	0	107.8	F521 L531 Y532 L533 D663 F665 V697	F521-I524 HydrophobicContact CB-CD1 4.07Å; F521-I524 HydrophobicContact CB-CG1 3.83Å; F521-I524 HydrophobicContact CD2-CD1 4.11Å; F521-I524 HydrophobicContact CG-CD1 4.33Å; F521-I524 HydrophobicContact CG-CG1 4.29Å; I524-L531 HydrophobicContact CG2-CD1 3.68Å; I524-L531 HydrophobicContact CG2-CD2 3.95Å; I524-L531 HydrophobicContact CG2-CG 3.8Å; I524-Y532 CarbonylContact C-O 3.5Å; I524-Y532 WeakPolarHBondContact CA-O 3.24Å; I524-L533 HydrophobicContact CD1-CD2 4.23Å; I524-L533 HydrophobicContact CG1-CD2 4.26Å; I524-L533 HydrophobicContact CG1-CG 4.38Å; I524-L533 HydrophobicContact CG2-CG 4.29Å; I524-D663 WeakPolarHBondContact CA-OD2 3.45Å; I524-D663 VanDerWaalsContact CB-OD2 3.22Å; I524-D663 WeakPolarHBondContact CB-OD2 3.08Å; I524-D663 WeakPolarHBondContact CG1-OD2 3.44Å; I524-D663 PolarHBondContact N-OD2 3.42Å; I524-F665 HydrophobicContact CB-CD1 3.68Å; I524-F665 HydrophobicContact CB-CD2 4.38Å; I524-F665 HydrophobicContact CB-CE1 3.71Å; I524-F665 HydrophobicContact CB-CE2 4.42Å; I524-F665 HydrophobicContact CB-CG 4.03Å; I524-F665 HydrophobicContact CB-CZ 4.1Å; I524-F665 HydrophobicContact CD1-CD1 4.49Å; I524-F665 HydrophobicContact CD1-CE1 3.79Å; I524-F665 HydrophobicContact CD1-CZ 4.19Å; I524-F665 HydrophobicContact CG1-CE1 4.33Å; I524-F665 HydrophobicContact CG2-CD1 3.98Å; I524-F665 HydrophobicContact CG2-CD2 3.84Å; I524-F665 HydrophobicContact CG2-CE1 3.78Å; I524-F665 HydrophobicContact CG2-CE2 3.64Å; I524-F665 HydrophobicContact CG2-CG 4.02Å; I524-F665 HydrophobicContact CG2-CZ 3.61Å; I524-F665 WeakPolarHBondContact O-CB 3.44Å; I524-F665 WeakPolarHBondContact O-CG 3.33Å; I524-V697 HydrophobicContact CD1-CG1 3.8Å; I524-V697 HydrophobicContact CD1-CG2 4.33Å
525	T	94.8	Very high	89.6	Confident	6 Å²	6	32.5 Å²	32.5	4%	0.037	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	151.3	179.1	-164.7	0	0	0	0	113.6	I527 Y532 F534 A570 F571	T525-I527 HydrophobicContact CG2-CD1 3.87Å; T525-I527 HydrophobicContact CG2-CG1 3.88Å; T525-Y532 PolarHBondContact N-O 3.06Å; T525-Y532 PolarHBondContact O-N 3.22Å; T525-F534 HydrophobicContact CG2-CE2 3.85Å; T525-A570 WeakPolarHBondContact CB-O 3.48Å; T525-A570 HydrophobicContact CG2-CB 3.66Å; T525-A570 PolarHBondContact OG1-O 2.01Å; T525-F571 WeakPolarHBondContact OG1-CA 2.96Å
526	E	92	Very high	89.7	Confident	52 Å²	52	36.4 Å²	36.4	24%	0.243	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	120.7	174.3	-171.5	174.8	-175.9	0	0	110.2	Q530 Y667 Q668	E526-Q530 WeakPolarHBondContact CA-O 3.34Å; E526-Y667 HydrophobicContact CB-CD2 4.43Å; E526-Y667 HydrophobicContact CG-CD2 4.34Å; E526-Q668 PolarHBondContact OE2-N 3.18Å
527	I	90.9	Very high	89.7	Confident	15 Å²	15	35.4 Å²	35.4	8%	0.077	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	122.5	175.1	-54.1	170.1	0	0	0	108.9	T525 N529 Q530 Y532 F534 W560 E572 L579	T525-I527 HydrophobicContact CG2-CD1 3.87Å; T525-I527 HydrophobicContact CG2-CG1 3.88Å; I527-N529 VanDerWaalsContact C-N 3.27Å; I527-N529 PolarHBondContact O-N 2.85Å; I527-Q530 PolarHBondContact N-O 3.48Å; I527-Q530 PolarHBondContact O-N 3.33Å; I527-Q530 VanDerWaalsContact O-O 3.11Å; I527-Y532 HydrophobicContact CB-CD2 3.63Å; I527-Y532 HydrophobicContact CB-CE2 3.56Å; I527-Y532 HydrophobicContact CB-CG 4.36Å; I527-Y532 HydrophobicContact CD1-CD1 4.09Å; I527-Y532 HydrophobicContact CD1-CD2 4.02Å; I527-Y532 HydrophobicContact CD1-CE1 4.45Å; I527-Y532 HydrophobicContact CD1-CE2 4.42Å; I527-Y532 HydrophobicContact CD1-CG 3.86Å; I527-Y532 HydrophobicContact CG1-CD2 4.02Å; I527-Y532 HydrophobicContact CG1-CE2 4.39Å; I527-Y532 HydrophobicContact CG1-CG 4.33Å; I527-Y532 HydrophobicContact CG2-CE2 4.19Å; I527-Y532 WeakPolarHBondContact O-CE2 2.93Å; I527-F534 HydrophobicContact CD1-CZ 4.49Å; I527-W560 HydrophobicContact CD1-CH2 4.39Å; I527-W560 HydrophobicContact CD1-CZ2 4.24Å; I527-E572 VanDerWaalsContact CA-OE2 3.28Å; I527-E572 WeakPolarHBondContact CA-OE2 3.36Å; I527-E572 HydrophobicContact CG1-CB 4.47Å; I527-L579 HydrophobicContact CB-CD2 4.25Å; I527-L579 HydrophobicContact CD1-CD1 4.49Å; I527-L579 HydrophobicContact CD1-CD2 3.67Å; I527-L579 HydrophobicContact CG1-CD2 3.59Å; I527-L579 HydrophobicContact CG2-CD1 4.39Å; I527-L579 HydrophobicContact CG2-CD2 3.76Å
528	G	84.4	Confident	90.1	Very high	44 Å²	44	35.8 Å²	35.8	45%	0.454	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	36.5	175.5	0	0	0	0	0	114	Q530 E572	G528-Q530 VanDerWaalsContact C-N 3.25Å; G528-Q530 PolarHBondContact O-N 2.72Å; G528-E572 PolarHBondContact N-OE2 3.23Å
529	N	82.2	Confident	90.5	Very high	122 Å²	122	34.9 Å²	34.9	65%	0.652	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	24.5	-174.7	-53.4	-22.4	0	0	0	114.6	I527	I527-N529 VanDerWaalsContact C-N 3.27Å; I527-N529 PolarHBondContact O-N 2.85Å
530	Q	88.9	Confident	91.1	Very high	50 Å²	50	31.1 Å²	31.1	23%	0.234	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	145	169.5	-58.3	-176.1	-55.4	0	0	108.1	E526 I527 G528 Y532 F542	E526-Q530 WeakPolarHBondContact CA-O 3.34Å; I527-Q530 PolarHBondContact N-O 3.48Å; I527-Q530 PolarHBondContact O-N 3.33Å; I527-Q530 VanDerWaalsContact O-O 3.11Å; G528-Q530 VanDerWaalsContact C-N 3.25Å; G528-Q530 PolarHBondContact O-N 2.72Å; Q530-Y532 HydrophobicContact CB-CD2 4.37Å; Q530-Y532 HydrophobicContact CB-CE2 3.87Å; Q530-Y532 WeakPolarHBondContact O-CD2 3.42Å; Q530-F542 WeakPolarHBondContact CA-O 3.39Å
531	L	91.8	Very high	91.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128.3	174.8	-164.6	70.7	0	0	0	108.6	I524 L533 R541 F542 F665 Y667 I701	I524-L531 HydrophobicContact CG2-CD1 3.68Å; I524-L531 HydrophobicContact CG2-CD2 3.95Å; I524-L531 HydrophobicContact CG2-CG 3.8Å; L531-L533 HydrophobicContact CD2-CD1 4.28Å; L531-L533 HydrophobicContact CG-CD1 4.29Å; L531-R541 CarbonylContact O-C 3.55Å; L531-R541 WeakPolarHBondContact O-CA 3.47Å; L531-F542 HydrophobicContact CB-CB 4.27Å; L531-F542 HydrophobicContact CB-CD1 4.49Å; L531-F542 PolarHBondContact N-O 2.93Å; L531-F542 PolarHBondContact O-N 3.24Å; L531-F665 HydrophobicContact CD1-CD2 4.26Å; L531-F665 HydrophobicContact CD1-CE2 4.03Å; L531-Y667 HydrophobicContact CB-CD2 4.39Å; L531-Y667 HydrophobicContact CB-CE2 4.08Å; L531-Y667 HydrophobicContact CD1-CD2 3.66Å; L531-Y667 HydrophobicContact CD1-CE2 4.2Å; L531-Y667 HydrophobicContact CD1-CG 3.94Å; L531-Y667 HydrophobicContact CG-CD2 4.49Å; L531-I701 HydrophobicContact CD2-CG2 3.51Å
532	Y	94.2	Very high	91	Very high	24 Å²	24	30.5 Å²	30.5	9%	0.094	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.5	175.8	-74.8	-117.1	0	0	0	107.9	I524 T525 I527 Q530 F534 Y539 W540 R541 W560	I524-Y532 CarbonylContact C-O 3.5Å; I524-Y532 WeakPolarHBondContact CA-O 3.24Å; T525-Y532 PolarHBondContact N-O 3.06Å; T525-Y532 PolarHBondContact O-N 3.22Å; I527-Y532 HydrophobicContact CB-CD2 3.63Å; I527-Y532 HydrophobicContact CB-CE2 3.56Å; I527-Y532 HydrophobicContact CB-CG 4.36Å; I527-Y532 HydrophobicContact CD1-CD1 4.09Å; I527-Y532 HydrophobicContact CD1-CD2 4.02Å; I527-Y532 HydrophobicContact CD1-CE1 4.45Å; I527-Y532 HydrophobicContact CD1-CE2 4.42Å; I527-Y532 HydrophobicContact CD1-CG 3.86Å; I527-Y532 HydrophobicContact CG1-CD2 4.02Å; I527-Y532 HydrophobicContact CG1-CE2 4.39Å; I527-Y532 HydrophobicContact CG1-CG 4.33Å; I527-Y532 HydrophobicContact CG2-CE2 4.19Å; I527-Y532 WeakPolarHBondContact O-CE2 2.93Å; Q530-Y532 HydrophobicContact CB-CD2 4.37Å; Q530-Y532 HydrophobicContact CB-CE2 3.87Å; Q530-Y532 WeakPolarHBondContact O-CD2 3.42Å; Y532-F534 VanDerWaalsContact CB-CE2 3.49Å; Y532-F534 HydrophobicContact CD1-CZ 4.2Å; Y532-F534 HydrophobicContact CG-CE2 4.48Å; Y532-F534 HydrophobicContact CG-CZ 4.49Å; Y532-Y539 AromaticContact CD1-CD2 3.53Å; Y532-Y539 HydrophobicContact CD1-CD2 3.53Å; Y532-Y539 AromaticContact CD1-CE2 3.63Å; Y532-Y539 HydrophobicContact CD1-CE2 3.63Å; Y532-Y539 AromaticContact CE1-CD2 3.98Å; Y532-Y539 HydrophobicContact CE1-CD2 3.98Å; Y532-Y539 AromaticContact CE1-CE2 3.56Å; Y532-Y539 HydrophobicContact CE1-CE2 3.56Å; Y532-W540 WeakPolarHBondContact CA-O 3.48Å; Y532-R541 HydrophobicContact CD1-CG 3.78Å; Y532-R541 HydrophobicContact CD2-CG 4.39Å; Y532-R541 VanDerWaalsContact CE1-CD 3.49Å; Y532-R541 HydrophobicContact CE1-CG 3.48Å; Y532-R541 VanDerWaalsContact CE1-CG 3.48Å; Y532-R541 HydrophobicContact CE2-CG 4.1Å; Y532-R541 HydrophobicContact CG-CG 4.23Å; Y532-R541 VanDerWaalsContact CZ-CD 3.47Å; Y532-R541 WeakPolarHBondContact OH-CD 3.49Å; Y532-W560 AromaticContact CD1-CH2 3.7Å; Y532-W560 HydrophobicContact CD1-CH2 3.7Å; Y532-W560 HydrophobicContact CD1-CZ3 4.47Å; Y532-W560 AromaticContact CE1-CH2 3.66Å; Y532-W560 HydrophobicContact CE1-CH2 3.66Å; Y532-W560 HydrophobicContact CE1-CZ2 4.39Å
533	L	94.3	Very high	90.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.7	178.5	-58.7	96.8	0	0	0	107.8	F521 I524 L531 Y539 W540 F542 V697 L702	F521-L533 HydrophobicContact CD1-CB 3.69Å; F521-L533 HydrophobicContact CD1-CD2 4.21Å; F521-L533 HydrophobicContact CD2-CD2 3.93Å; F521-L533 HydrophobicContact CE1-CB 3.7Å; F521-L533 HydrophobicContact CE1-CD2 3.97Å; F521-L533 HydrophobicContact CE2-CD2 3.68Å; F521-L533 HydrophobicContact CG-CB 4.27Å; F521-L533 HydrophobicContact CG-CD2 4.19Å; F521-L533 HydrophobicContact CZ-CB 4.29Å; F521-L533 HydrophobicContact CZ-CD2 3.7Å; I524-L533 HydrophobicContact CD1-CD2 4.23Å; I524-L533 HydrophobicContact CG1-CD2 4.26Å; I524-L533 HydrophobicContact CG1-CG 4.38Å; I524-L533 HydrophobicContact CG2-CG 4.29Å; L531-L533 HydrophobicContact CD2-CD1 4.28Å; L531-L533 HydrophobicContact CG-CD1 4.29Å; L533-Y539 CarbonylContact O-C 3.45Å; L533-Y539 WeakPolarHBondContact O-CA 3.47Å; L533-Y539 WeakPolarHBondContact O-CB 3.27Å; L533-W540 PolarHBondContact N-O 2.89Å; L533-W540 PolarHBondContact O-N 2.91Å; L533-F542 HydrophobicContact CD1-CB 4.2Å; L533-V697 HydrophobicContact CD2-CG1 4.12Å; L533-L702 HydrophobicContact CD1-CD2 3.72Å; L533-L702 HydrophobicContact CD2-CD1 3.97Å; L533-L702 HydrophobicContact CD2-CD2 3.76Å; L533-L702 HydrophobicContact CD2-CG 4.2Å; L533-L702 HydrophobicContact CG-CD2 4.41Å
534	F	94.8	Very high	89.2	Confident	1 Å²	1	35.7 Å²	35.7	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.2	-174.9	-64.6	-92.2	0	0	0	110	D522 A523 T525 I527 Y532 R538 Y539 I556 W560 L567 F581	D522-F534 PolarHBondContact N-O 2.98Å; A523-F534 HydrophobicContact CB-CB 4.37Å; A523-F534 HydrophobicContact CB-CD2 4.43Å; A523-F534 WeakPolarHBondContact O-CB 3.49Å; A523-F534 WeakPolarHBondContact O-CD2 3.46Å; A523-F534 PolarHBondContact O-N 2.99Å; T525-F534 HydrophobicContact CG2-CE2 3.85Å; I527-F534 HydrophobicContact CD1-CZ 4.49Å; Y532-F534 VanDerWaalsContact CB-CE2 3.49Å; Y532-F534 HydrophobicContact CD1-CZ 4.2Å; Y532-F534 HydrophobicContact CG-CE2 4.48Å; Y532-F534 HydrophobicContact CG-CZ 4.49Å; F534-R538 WeakPolarHBondContact CA-O 3.43Å; F534-Y539 HydrophobicContact CD1-CG 4.37Å; F534-Y539 HydrophobicContact CE1-CD1 4.5Å; F534-Y539 HydrophobicContact CE1-CG 4.1Å; F534-I556 HydrophobicContact CB-CD1 4.45Å; F534-I556 HydrophobicContact CD1-CD1 3.6Å; F534-I556 HydrophobicContact CD1-CG1 3.8Å; F534-I556 HydrophobicContact CE1-CD1 4.38Å; F534-I556 HydrophobicContact CE1-CG1 4.19Å; F534-W560 HydrophobicContact CE1-CE3 4.04Å; F534-W560 HydrophobicContact CE1-CH2 4.07Å; F534-W560 AromaticContact CE1-CZ3 3.47Å; F534-W560 HydrophobicContact CE1-CZ3 3.47Å; F534-W560 VanDerWaalsContact CE1-CZ3 3.47Å; F534-W560 AromaticContact CZ-CH2 3.84Å; F534-W560 HydrophobicContact CZ-CH2 3.84Å; F534-W560 AromaticContact CZ-CZ3 3.75Å; F534-W560 HydrophobicContact CZ-CZ3 3.75Å; F534-L567 HydrophobicContact CB-CD1 4.18Å; F534-L567 HydrophobicContact CD1-CD1 3.63Å; F534-L567 HydrophobicContact CD2-CD1 4.38Å; F534-L567 HydrophobicContact CE1-CD1 4.04Å; F534-L567 HydrophobicContact CG-CD1 3.81Å; F534-F581 HydrophobicContact CE1-CE1 4.32Å; F534-F581 AromaticContact CZ-CE1 3.9Å; F534-F581 HydrophobicContact CZ-CE1 3.9Å
535	K	92.4	Very high	87.4	Confident	44 Å²	44	45.9 Å²	45.9	19%	0.191	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	125.6	172.8	-171	52.2	179.1	138.1	0	111.4	V518 I520 F521 D522 G537 R538 W540	V518-K535 HydrophobicContact CG1-CB 4.47Å; V518-K535 HydrophobicContact CG1-CG 4.01Å; I520-K535 WeakPolarHBondContact O-CD 3.37Å; I520-K535 VanDerWaalsContact O-CE 3.23Å; I520-K535 WeakPolarHBondContact O-CE 3.31Å; F521-K535 HydrophobicContact CD1-CB 4.19Å; D522-K535 VanDerWaalsContact OD1-CD 3.27Å; D522-K535 WeakPolarHBondContact OD1-CD 3.3Å; D522-K535 IonicContact OD1-NZ 3.78Å; D522-K535 PolarHBondContact OD1-NZ 3.31Å; D522-K535 WeakPolarHBondContact OD2-CA 3.41Å; D522-K535 IonicContact OD2-NZ 2.77Å; K535-G537 VanDerWaalsContact C-N 3.34Å; K535-G537 PolarHBondContact O-N 3.17Å; K535-R538 PolarHBondContact N-O 3.36Å; K535-R538 WeakPolarHBondContact O-CA 3.42Å; K535-R538 WeakPolarHBondContact O-CB 3.43Å; K535-R538 PolarHBondContact O-N 3.28Å; K535-W540 HydrophobicContact CB-CH2 4.12Å; K535-W540 HydrophobicContact CB-CZ3 3.71Å
536	D	85.2	Confident	85	Confident	83 Å²	83	57.5 Å²	57.5	44%	0.444	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	48.7	167.5	-56	-36.2	0	0	0	113.7	D522 R538	D522-D536 PolarHBondContact OD2-N 3Å; D536-R538 VanDerWaalsContact C-N 3.26Å; D536-R538 PolarHBondContact O-N 3.31Å
537	G	83.8	Confident	83.3	Confident	9 Å²	9	57.9 Å²	57.9	9%	0.093	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	1	179.4	0	0	0	0	0	114.8	K535 I556 R565	K535-G537 VanDerWaalsContact C-N 3.34Å; K535-G537 PolarHBondContact O-N 3.17Å; G537-I556 WeakPolarHBondContact O-CB 2.93Å; G537-I556 WeakPolarHBondContact O-CG1 2.96Å; G537-I556 PolarHBondContact O-N 2.9Å; G537-R565 WeakPolarHBondContact CA-O 3.16Å; G537-R565 PolarHBondContact N-O 2.96Å
538	R	91.4	Very high	81.7	Confident	100 Å²	100	59.7 Å²	59.7	38%	0.377	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	161	177.2	-59.2	179.3	-179.9	107.3	-6.4	111	F534 K535 D536 W540 P553 F554 L555	F534-R538 WeakPolarHBondContact CA-O 3.43Å; K535-R538 PolarHBondContact N-O 3.36Å; K535-R538 WeakPolarHBondContact O-CA 3.42Å; K535-R538 WeakPolarHBondContact O-CB 3.43Å; K535-R538 PolarHBondContact O-N 3.28Å; D536-R538 VanDerWaalsContact C-N 3.26Å; D536-R538 PolarHBondContact O-N 3.31Å; R538-W540 HydrophobicContact CB-CH2 4.3Å; R538-P553 HydrophobicContact CB-CB 4.17Å; R538-P553 HydrophobicContact CG-CB 4.42Å; R538-F554 CarbonylContact C-O 3.56Å; R538-F554 WeakPolarHBondContact CA-O 3.45Å; R538-L555 HydrophobicContact CG-CD2 4.27Å
539	Y	93.8	Very high	80.9	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.008	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	152.8	168.9	75.3	-82.6	0	0	0	113	Y532 L533 F534 R541 F554 I556 T559 W560	Y532-Y539 AromaticContact CD1-CD2 3.53Å; Y532-Y539 HydrophobicContact CD1-CD2 3.53Å; Y532-Y539 AromaticContact CD1-CE2 3.63Å; Y532-Y539 HydrophobicContact CD1-CE2 3.63Å; Y532-Y539 AromaticContact CE1-CD2 3.98Å; Y532-Y539 HydrophobicContact CE1-CD2 3.98Å; Y532-Y539 AromaticContact CE1-CE2 3.56Å; Y532-Y539 HydrophobicContact CE1-CE2 3.56Å; L533-Y539 CarbonylContact O-C 3.45Å; L533-Y539 WeakPolarHBondContact O-CA 3.47Å; L533-Y539 WeakPolarHBondContact O-CB 3.27Å; F534-Y539 HydrophobicContact CD1-CG 4.37Å; F534-Y539 HydrophobicContact CE1-CD1 4.5Å; F534-Y539 HydrophobicContact CE1-CG 4.1Å; Y539-R541 HydrophobicContact CD2-CG 4.03Å; Y539-R541 HydrophobicContact CE2-CG 3.72Å; Y539-F554 HydrophobicContact CD1-CB 3.83Å; Y539-F554 WeakPolarHBondContact CD1-O 3.02Å; Y539-F554 HydrophobicContact CD2-CB 4.49Å; Y539-F554 HydrophobicContact CD2-CD2 4.41Å; Y539-F554 HydrophobicContact CE1-CB 3.33Å; Y539-F554 HydrophobicContact CE1-CG 4.34Å; Y539-F554 HydrophobicContact CE2-CB 4.07Å; Y539-F554 AromaticContact CE2-CD2 3.93Å; Y539-F554 HydrophobicContact CE2-CD2 3.93Å; Y539-F554 HydrophobicContact CE2-CG 4.32Å; Y539-F554 HydrophobicContact CG-CB 4.39Å; Y539-F554 VanDerWaalsContact CZ-CB 3.46Å; Y539-F554 AromaticContact CZ-CG 3.99Å; Y539-F554 PolarHBondContact N-O 3.13Å; Y539-F554 PolarHBondContact O-N 2.67Å; Y539-I556 HydrophobicContact CD1-CG1 4.05Å; Y539-T559 PolarHBondContact OH-OG1 2.86Å; Y539-W560 HydrophobicContact CD1-CE3 4.5Å; Y539-W560 AromaticContact CD1-CZ3 3.83Å; Y539-W560 HydrophobicContact CD1-CZ3 3.83Å; Y539-W560 HydrophobicContact CD2-CZ3 4.22Å; Y539-W560 HydrophobicContact CE1-CE3 4.27Å; Y539-W560 AromaticContact CE1-CZ3 3.65Å; Y539-W560 HydrophobicContact CE1-CZ3 3.65Å; Y539-W560 HydrophobicContact CE2-CH2 4.22Å; Y539-W560 HydrophobicContact CE2-CZ3 4.06Å; Y539-W560 HydrophobicContact CG-CZ3 4.1Å; Y539-W560 AromaticContact CZ-CZ3 3.78Å
540	W	93.2	Very high	80.8	Confident	13 Å²	13	62.8 Å²	62.8	5%	0.049	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	151.4	171.8	-58.9	-102.3	0	0	0	109.8	D513 A515 V518 F521 Y532 L533 K535 R538 L550 Q551 P553	D513-W540 PolarHBondContact O-NE1 2.81Å; A515-W540 HydrophobicContact CB-CB 4.46Å; A515-W540 HydrophobicContact CB-CD2 3.71Å; A515-W540 HydrophobicContact CB-CE3 4.28Å; A515-W540 HydrophobicContact CB-CG 3.78Å; A515-W540 HydrophobicContact CB-CZ2 4.41Å; V518-W540 HydrophobicContact CG2-CH2 4.07Å; F521-W540 HydrophobicContact CD1-CZ3 4.45Å; F521-W540 HydrophobicContact CE1-CE3 4.01Å; F521-W540 AromaticContact CE1-CZ3 3.97Å; F521-W540 HydrophobicContact CE1-CZ3 3.97Å; Y532-W540 WeakPolarHBondContact CA-O 3.48Å; L533-W540 PolarHBondContact N-O 2.89Å; L533-W540 PolarHBondContact O-N 2.91Å; K535-W540 HydrophobicContact CB-CH2 4.12Å; K535-W540 HydrophobicContact CB-CZ3 3.71Å; R538-W540 HydrophobicContact CB-CH2 4.3Å; W540-L550 HydrophobicContact CB-CD1 3.79Å; W540-L550 HydrophobicContact CB-CG 4.35Å; W540-L550 HydrophobicContact CG-CD1 4.45Å; W540-Q551 CarbonylContact C-O 3.54Å; W540-Q551 VanDerWaalsContact CA-O 3.3Å; W540-Q551 WeakPolarHBondContact CA-O 2.99Å; W540-P553 HydrophobicContact CZ2-CB 3.89Å
541	R	91.3	Very high	80.6	Confident	57 Å²	57	64 Å²	64	22%	0.215	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.2	175.7	-68.3	179.4	-89.7	-172.9	-7.5	108.7	L531 Y532 Y539 Q551 F554	L531-R541 CarbonylContact O-C 3.55Å; L531-R541 WeakPolarHBondContact O-CA 3.47Å; Y532-R541 HydrophobicContact CD1-CG 3.78Å; Y532-R541 HydrophobicContact CD2-CG 4.39Å; Y532-R541 VanDerWaalsContact CE1-CD 3.49Å; Y532-R541 HydrophobicContact CE1-CG 3.48Å; Y532-R541 VanDerWaalsContact CE1-CG 3.48Å; Y532-R541 HydrophobicContact CE2-CG 4.1Å; Y532-R541 HydrophobicContact CG-CG 4.23Å; Y532-R541 VanDerWaalsContact CZ-CD 3.47Å; Y532-R541 WeakPolarHBondContact OH-CD 3.49Å; Y539-R541 HydrophobicContact CD2-CG 4.03Å; Y539-R541 HydrophobicContact CE2-CG 3.72Å; R541-Q551 HydrophobicContact CB-CB 4.43Å; R541-Q551 PolarHBondContact N-O 2.98Å; R541-Q551 PolarHBondContact O-N 2.9Å; R541-F554 VanDerWaalsContact NH2-CE1 3.29Å
542	F	87.8	Confident	80.2	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.018	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.8	176.3	179.4	-96.8	0	0	0	109.9	Q530 L531 L533 L550 I701 L702	Q530-F542 WeakPolarHBondContact CA-O 3.39Å; L531-F542 HydrophobicContact CB-CB 4.27Å; L531-F542 HydrophobicContact CB-CD1 4.49Å; L531-F542 PolarHBondContact N-O 2.93Å; L531-F542 PolarHBondContact O-N 3.24Å; L533-F542 HydrophobicContact CD1-CB 4.2Å; F542-L550 HydrophobicContact CB-CD1 4.11Å; F542-L550 HydrophobicContact CD2-CD1 4.32Å; F542-I701 WeakPolarHBondContact CE1-O 3.5Å; F542-I701 WeakPolarHBondContact CZ-O 3.4Å; F542-L702 HydrophobicContact CB-CD2 4.14Å; F542-L702 HydrophobicContact CD2-CD2 4.15Å; F542-L702 HydrophobicContact CG-CD2 4.12Å
543	S	81.1	Confident	79.9	Confident	27 Å²	27	66.1 Å²	66.1	19%	0.189	32%	0.316	C	S	.	.			trans	-137.1	130.8	176.5	-168.3	0	0	0	0	110.2
544	E	69.8	Low	79.6	Confident	95 Å²	95	69.2 Å²	69.2	44%	0.444	33%	0.33	S	S	.	.			trans	-86.8	-13.9	-176.5	-161.5	174.1	-171.8	0	0	112.8	R546 Q668	E544-R546 PolarHBondContact O-N 3.49Å; E544-Q668 PolarHBondContact OE2-NE2 3Å
545	R	58.4	Low	79.2	Confident	216 Å²	216	73.1 Å²	73.1	82%	0.815	35%	0.35	S	S	*	.	S	Bend	trans	-87	108	-175.2	-69.6	-171.6	178.4	-178.1	1.5	111.9
546	R	44	Very low	79.1	Confident	249 Å²	249	71 Å²	71	94%	0.94	34%	0.341	S	S	*	.	S	Bend	trans	75.2	78.8	179.9	-59.9	-170.9	-133.8	-165.9	2.2	114.4	E544	E544-R546 PolarHBondContact O-N 3.49Å
547	G	54.8	Low	79.1	Confident	61 Å²	61	69.1 Å²	69.1	63%	0.629	34%	0.337	S	S	*	.	S	Bend	trans	69.9	98.9	176.7	0	0	0	0	0	110.2	R549	G547-R549 PolarHBondContact O-N 2.8Å
548	S	57.5	Low	79.1	Confident	52 Å²	52	74.7 Å²	74.7	36%	0.364	37%	0.365	S	S	.	.			trans	-43.1	106.3	178.8	-49.6	0	0	0	0	110.3	Q703	S548-Q703 VanDerWaalsContact CB-OE1 3.25Å; S548-Q703 PolarHBondContact OG-OE1 2.83Å
549	R	68.9	Low	78.9	Confident	182 Å²	182	73 Å²	73	69%	0.687	37%	0.365	S	S	*	.			trans	-125.7	97.4	-177.3	-169.5	172.6	-179	170.1	-0.4	108.4	G547 Q551	G547-R549 PolarHBondContact O-N 2.8Å; R549-Q551 HydrophobicContact CG-CG 4.41Å; R549-Q551 PolarHBondContact O-N 3.01Å
550	L	80.2	Confident	78.9	Confident	50 Å²	50	73.6 Å²	73.6	26%	0.262	37%	0.368	S	S	.	.			trans	-60	128.6	165.1	-171.8	71.8	0	0	0	108.6	A515 W540 F542 L702	A515-L550 HydrophobicContact CB-CD1 4.46Å; A515-L550 HydrophobicContact CB-CD2 3.54Å; W540-L550 HydrophobicContact CB-CD1 3.79Å; W540-L550 HydrophobicContact CB-CG 4.35Å; W540-L550 HydrophobicContact CG-CD1 4.45Å; F542-L550 HydrophobicContact CB-CD1 4.11Å; F542-L550 HydrophobicContact CD2-CD1 4.32Å; L550-L702 HydrophobicContact CD1-CD2 4.17Å
551	Q	84.1	Confident	78.5	Confident	74 Å²	74	77.5 Å²	77.5	35%	0.346	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.1	178.9	-62.5	176.8	30.9	0	0	109.5	W540 R541 R549 F554	W540-Q551 CarbonylContact C-O 3.54Å; W540-Q551 VanDerWaalsContact CA-O 3.3Å; W540-Q551 WeakPolarHBondContact CA-O 2.99Å; R541-Q551 HydrophobicContact CB-CB 4.43Å; R541-Q551 PolarHBondContact N-O 2.98Å; R541-Q551 PolarHBondContact O-N 2.9Å; R549-Q551 HydrophobicContact CG-CG 4.41Å; R549-Q551 PolarHBondContact O-N 3.01Å; Q551-F554 VanDerWaalsContact C-CE2 3.48Å; Q551-F554 HydrophobicContact CB-CE2 3.88Å; Q551-F554 HydrophobicContact CB-CZ 4.13Å; Q551-F554 WeakPolarHBondContact O-CE2 3.45Å
552	G	82.6	Confident	77.9	Confident	30 Å²	30	76.6 Å²	76.6	31%	0.309	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	133.3	-169.9	-177.9	0	0	0	0	0	111.3
553	P	88.4	Confident	78	Confident	39 Å²	39	76.4 Å²	76.4	25%	0.253	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-70.5	141.8	0.3	27	-32.4	0	0	0	112.4	D513 R538 W540	D513-P553 HydrophobicContact CB-CG 4.1Å; R538-P553 HydrophobicContact CB-CB 4.17Å; R538-P553 HydrophobicContact CG-CB 4.42Å; W540-P553 HydrophobicContact CZ2-CB 3.89Å
554	F	88.9	Confident	78.3	Confident	66 Å²	66	76.1 Å²	76.1	29%	0.289	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	151.7	167.3	-59.1	-76.2	0	0	0	109	R538 Y539 R541 Q551	R538-F554 CarbonylContact C-O 3.56Å; R538-F554 WeakPolarHBondContact CA-O 3.45Å; Y539-F554 HydrophobicContact CD1-CB 3.83Å; Y539-F554 WeakPolarHBondContact CD1-O 3.02Å; Y539-F554 HydrophobicContact CD2-CB 4.49Å; Y539-F554 HydrophobicContact CD2-CD2 4.41Å; Y539-F554 HydrophobicContact CE1-CB 3.33Å; Y539-F554 HydrophobicContact CE1-CG 4.34Å; Y539-F554 HydrophobicContact CE2-CB 4.07Å; Y539-F554 AromaticContact CE2-CD2 3.93Å; Y539-F554 HydrophobicContact CE2-CD2 3.93Å; Y539-F554 HydrophobicContact CE2-CG 4.32Å; Y539-F554 HydrophobicContact CG-CB 4.39Å; Y539-F554 VanDerWaalsContact CZ-CB 3.46Å; Y539-F554 AromaticContact CZ-CG 3.99Å; Y539-F554 PolarHBondContact N-O 3.13Å; Y539-F554 PolarHBondContact O-N 2.67Å; R541-F554 VanDerWaalsContact NH2-CE1 3.29Å; Q551-F554 VanDerWaalsContact C-CE2 3.48Å; Q551-F554 HydrophobicContact CB-CE2 3.88Å; Q551-F554 HydrophobicContact CB-CZ 4.13Å; Q551-F554 WeakPolarHBondContact O-CE2 3.45Å
555	L	85.3	Confident	79	Confident	82 Å²	82	77.5 Å²	77.5	43%	0.429	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	132.2	174.1	-63.6	174.1	0	0	0	110	R538 A557 D558	R538-L555 HydrophobicContact CG-CD2 4.27Å; L555-A557 PolarHBondContact O-N 3.2Å; L555-D558 HydrophobicContact CB-CB 4.31Å; L555-D558 PolarHBondContact O-N 3.07Å
556	I	90.4	Very high	80.5	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-57.6	-40.9	172.2	-65.1	175	0	0	0	109.4	F534 G537 Y539 D558 T559 W560 L563 L567	F534-I556 HydrophobicContact CB-CD1 4.45Å; F534-I556 HydrophobicContact CD1-CD1 3.6Å; F534-I556 HydrophobicContact CD1-CG1 3.8Å; F534-I556 HydrophobicContact CE1-CD1 4.38Å; F534-I556 HydrophobicContact CE1-CG1 4.19Å; G537-I556 WeakPolarHBondContact O-CB 2.93Å; G537-I556 WeakPolarHBondContact O-CG1 2.96Å; G537-I556 PolarHBondContact O-N 2.9Å; Y539-I556 HydrophobicContact CD1-CG1 4.05Å; I556-D558 VanDerWaalsContact C-N 3.27Å; I556-D558 PolarHBondContact O-N 3.25Å; I556-T559 PolarHBondContact O-N 3.04Å; I556-W560 HydrophobicContact CG2-CB 4.4Å; I556-W560 HydrophobicContact CG2-CE3 4.29Å; I556-W560 CarbonylContact O-C 3.57Å; I556-W560 WeakPolarHBondContact O-CA 3.27Å; I556-W560 PolarHBondContact O-N 3.15Å; I556-L563 HydrophobicContact CG2-CB 3.78Å; I556-L563 HydrophobicContact CG2-CD1 4.14Å; I556-L567 HydrophobicContact CD1-CD1 4.39Å
557	A	84.8	Confident	82.9	Confident	43 Å²	43	61 Å²	61	36%	0.355	34%	0.338	S	S	.	.	H	α-helix	trans	-62.2	-29.8	-178	0	0	0	0	0	113.8	L555 P561	L555-A557 PolarHBondContact O-N 3.2Å; A557-P561 WeakPolarHBondContact O-CA 3.44Å; A557-P561 WeakPolarHBondContact O-CB 3.22Å
558	D	84.3	Confident	84.8	Confident	127 Å²	127	58.9 Å²	58.9	68%	0.679	31%	0.312	S	S	*	.	H	α-helix	trans	-72.6	-37	178.9	-68.3	-14.6	0	0	0	111.7	L555 I556	L555-D558 HydrophobicContact CB-CB 4.31Å; L555-D558 PolarHBondContact O-N 3.07Å; I556-D558 VanDerWaalsContact C-N 3.27Å; I556-D558 PolarHBondContact O-N 3.25Å
559	T	87.8	Confident	86.6	Confident	64 Å²	64	56.4 Å²	56.4	39%	0.393	30%	0.295	S	S	.	.	H	α-helix	trans	-92.2	-36.1	-176.4	-55.4	0	0	0	0	112.1	Y539 I556	Y539-T559 PolarHBondContact OH-OG1 2.86Å; I556-T559 PolarHBondContact O-N 3.04Å
560	W	92.6	Very high	87.9	Confident	15 Å²	15	47.9 Å²	47.9	6%	0.057	26%	0.264	C	S	.	.			trans	-137.7	75.9	-175.4	-60.1	-71.5	0	0	0	110.2	I527 Y532 F534 Y539 I556 A562 L563 L579 F581 Y590	I527-W560 HydrophobicContact CD1-CH2 4.39Å; I527-W560 HydrophobicContact CD1-CZ2 4.24Å; Y532-W560 AromaticContact CD1-CH2 3.7Å; Y532-W560 HydrophobicContact CD1-CH2 3.7Å; Y532-W560 HydrophobicContact CD1-CZ3 4.47Å; Y532-W560 AromaticContact CE1-CH2 3.66Å; Y532-W560 HydrophobicContact CE1-CH2 3.66Å; Y532-W560 HydrophobicContact CE1-CZ2 4.39Å; F534-W560 HydrophobicContact CE1-CE3 4.04Å; F534-W560 HydrophobicContact CE1-CH2 4.07Å; F534-W560 AromaticContact CE1-CZ3 3.47Å; F534-W560 HydrophobicContact CE1-CZ3 3.47Å; F534-W560 VanDerWaalsContact CE1-CZ3 3.47Å; F534-W560 AromaticContact CZ-CH2 3.84Å; F534-W560 HydrophobicContact CZ-CH2 3.84Å; F534-W560 AromaticContact CZ-CZ3 3.75Å; F534-W560 HydrophobicContact CZ-CZ3 3.75Å; Y539-W560 HydrophobicContact CD1-CE3 4.5Å; Y539-W560 AromaticContact CD1-CZ3 3.83Å; Y539-W560 HydrophobicContact CD1-CZ3 3.83Å; Y539-W560 HydrophobicContact CD2-CZ3 4.22Å; Y539-W560 HydrophobicContact CE1-CE3 4.27Å; Y539-W560 AromaticContact CE1-CZ3 3.65Å; Y539-W560 HydrophobicContact CE1-CZ3 3.65Å; Y539-W560 HydrophobicContact CE2-CH2 4.22Å; Y539-W560 HydrophobicContact CE2-CZ3 4.06Å; Y539-W560 HydrophobicContact CG-CZ3 4.1Å; Y539-W560 AromaticContact CZ-CZ3 3.78Å; I556-W560 HydrophobicContact CG2-CB 4.4Å; I556-W560 HydrophobicContact CG2-CE3 4.29Å; I556-W560 CarbonylContact O-C 3.57Å; I556-W560 WeakPolarHBondContact O-CA 3.27Å; I556-W560 PolarHBondContact O-N 3.15Å; W560-A562 PolarHBondContact O-N 2.91Å; W560-A562 VanDerWaalsContact O-N 3.08Å; W560-L563 HydrophobicContact CB-CB 4.18Å; W560-L563 HydrophobicContact CB-CD1 3.37Å; W560-L563 HydrophobicContact CB-CG 3.65Å; W560-L563 HydrophobicContact CD2-CD1 4.1Å; W560-L563 HydrophobicContact CE3-CD1 4.43Å; W560-L563 HydrophobicContact CG-CD1 3.68Å; W560-L563 HydrophobicContact CG-CG 4.39Å; W560-L563 PolarHBondContact O-N 3.06Å; W560-L579 HydrophobicContact CZ2-CD1 4.34Å; W560-F581 HydrophobicContact CD2-CZ 4.02Å; W560-F581 AromaticContact CE2-CZ 3.66Å; W560-F581 HydrophobicContact CG-CE2 4.48Å; W560-F581 HydrophobicContact CG-CZ 4.31Å; W560-F581 AromaticContact CZ2-CZ 3.98Å; W560-F581 HydrophobicContact CZ2-CZ 3.98Å; W560-F581 AromaticContact NE1-CE2 3.95Å; W560-F581 AromaticContact NE1-CZ 3.76Å; W560-Y590 VanDerWaalsContact C-OH 3.31Å; W560-Y590 WeakPolarHBondContact CA-OH 3.34Å; W560-Y590 HydrophobicContact CB-CE1 4.17Å; W560-Y590 HydrophobicContact CB-CE2 4.28Å; W560-Y590 AromaticContact CD1-CD1 3.7Å; W560-Y590 AromaticContact CD1-CE1 3.61Å; W560-Y590 AromaticContact CD1-CG 3.94Å; W560-Y590 AromaticContact CD1-CZ 3.79Å; W560-Y590 HydrophobicContact CG-CE1 4.3Å; W560-Y590 HydrophobicContact CG-CE2 4.48Å
561	P	85.1	Confident	88.5	Confident	94 Å²	94	45.8 Å²	45.8	61%	0.61	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.5	-169.7	21.2	-32.7	0	0	0	114.3	A557	A557-P561 WeakPolarHBondContact O-CA 3.44Å; A557-P561 WeakPolarHBondContact O-CB 3.22Å
562	A	80	Confident	88.9	Confident	38 Å²	38	43.7 Å²	43.7	31%	0.314	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-8.1	179.1	0	0	0	0	0	114.5	W560 W588 Y590 V595	W560-A562 PolarHBondContact O-N 2.91Å; W560-A562 VanDerWaalsContact O-N 3.08Å; A562-W588 PolarHBondContact O-NE1 2.01Å; A562-Y590 WeakPolarHBondContact CB-OH 3.43Å; A562-Y590 PolarHBondContact N-OH 3.12Å; A562-V595 HydrophobicContact CB-CB 4.45Å; A562-V595 HydrophobicContact CB-CG1 3.77Å; A562-V595 HydrophobicContact CB-CG2 4.1Å
563	L	89.1	Confident	89.2	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.229	C	C	.	.	S	Bend	trans	-83.7	142.6	-177.6	-69.5	-176.6	0	0	0	112.7	R162 I556 W560 F581 W588 Y590	R162-L563 PolarHBondContact NH1-O 3.16Å; R162-L563 PolarHBondContact NH2-O 3.19Å; R162-L563 VanDerWaalsContact NH2-O 3.08Å; I556-L563 HydrophobicContact CG2-CB 3.78Å; I556-L563 HydrophobicContact CG2-CD1 4.14Å; W560-L563 HydrophobicContact CB-CB 4.18Å; W560-L563 HydrophobicContact CB-CD1 3.37Å; W560-L563 HydrophobicContact CB-CG 3.65Å; W560-L563 HydrophobicContact CD2-CD1 4.1Å; W560-L563 HydrophobicContact CE3-CD1 4.43Å; W560-L563 HydrophobicContact CG-CD1 3.68Å; W560-L563 HydrophobicContact CG-CG 4.39Å; W560-L563 PolarHBondContact O-N 3.06Å; L563-F581 HydrophobicContact CD1-CB 4.08Å; L563-F581 HydrophobicContact CD1-CD1 3.45Å; L563-F581 VanDerWaalsContact CD1-CD1 3.45Å; L563-F581 HydrophobicContact CD1-CD2 3.61Å; L563-F581 HydrophobicContact CD1-CE1 3.63Å; L563-F581 HydrophobicContact CD1-CE2 3.75Å; L563-F581 HydrophobicContact CD1-CG 3.44Å; L563-F581 VanDerWaalsContact CD1-CG 3.44Å; L563-F581 HydrophobicContact CD1-CZ 3.77Å; L563-F581 HydrophobicContact CD2-CB 3.39Å; L563-F581 HydrophobicContact CD2-CD1 4.38Å; L563-F581 HydrophobicContact CD2-CD2 3.76Å; L563-F581 HydrophobicContact CD2-CG 3.61Å; L563-F581 HydrophobicContact CG-CB 4.39Å; L563-F581 HydrophobicContact CG-CD2 4.25Å; L563-F581 HydrophobicContact CG-CG 4.18Å; L563-W588 HydrophobicContact CD2-CB 3.53Å; L563-W588 HydrophobicContact CD2-CD2 3.89Å; L563-W588 HydrophobicContact CD2-CE3 4.18Å; L563-W588 HydrophobicContact CD2-CG 3.62Å; L563-Y590 HydrophobicContact CD1-CE2 4.2Å; L563-Y590 HydrophobicContact CD2-CE2 3.66Å; L563-Y590 HydrophobicContact CG-CE2 3.69Å
564	P	87.8	Confident	88.9	Confident	20 Å²	20	42.9 Å²	42.9	13%	0.13	23%	0.232	C	C	.	.			trans	-67.5	170.3	175.6	29.4	-33.2	0	0	0	112.7	R162 L567 S583 W588	R162-P564 PolarHBondContact NH2-O 3.16Å; P564-L567 HydrophobicContact CG-CD2 4.07Å; P564-S583 WeakPolarHBondContact CG-OG 3.4Å; P564-W588 HydrophobicContact CB-CH2 4.5Å; P564-W588 VanDerWaalsContact CD-CH2 3.49Å; P564-W588 HydrophobicContact CG-CH2 3.55Å; P564-W588 HydrophobicContact CG-CZ2 4.1Å; P564-W588 HydrophobicContact CG-CZ3 3.85Å
565	R	83.1	Confident	88.5	Confident	124 Å²	124	45.7 Å²	45.7	47%	0.468	25%	0.249	S	C	.	.	S	Bend	trans	-72.9	-43.9	-174.4	-78.9	-173.2	170.2	-148.5	-8.8	109.7	R162 D163 G537	R162-R565 VanDerWaalsContact CZ-N 3.3Å; R162-R565 VanDerWaalsContact NE-N 3.2Å; D163-R565 IonicContact OD1-CZ 3.62Å; D163-R565 IonicContact OD1-NE 2.9Å; D163-R565 PolarHBondContact OD1-NE 3.48Å; D163-R565 IonicContact OD1-NH2 3.07Å; D163-R565 PolarHBondContact OD1-NH2 2.8Å; D163-R565 IonicContact OD2-CZ 2.72Å; D163-R565 IonicContact OD2-NH2 3.62Å; D163-R565 PolarHBondContact OD2-NH2 2.95Å; G537-R565 WeakPolarHBondContact CA-O 3.16Å; G537-R565 PolarHBondContact N-O 2.96Å
566	K	89.9	Confident	88.4	Confident	119 Å²	119	44.1 Å²	44.1	52%	0.517	25%	0.245	S	C	.	.	S	Bend	trans	-98.4	129.2	176	-172.9	178.9	-179.9	-169.6	0	109.7	D522 S583	D522-K566 HydrophobicContact CB-CG 4.11Å; K566-S583 WeakPolarHBondContact O-CB 3.45Å; K566-S583 PolarHBondContact O-OG 2.71Å
567	L	94.9	Very high	88.2	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.268	C	S	.	.			trans	-112.1	142	174.4	-63.9	174.2	0	0	0	108.2	D522 A523 F534 I556 P564 F581 F582	D522-L567 CarbonylContact C-O 3.53Å; D522-L567 WeakPolarHBondContact CB-O 3.49Å; A523-L567 HydrophobicContact CB-CB 3.89Å; F534-L567 HydrophobicContact CB-CD1 4.18Å; F534-L567 HydrophobicContact CD1-CD1 3.63Å; F534-L567 HydrophobicContact CD2-CD1 4.38Å; F534-L567 HydrophobicContact CE1-CD1 4.04Å; F534-L567 HydrophobicContact CG-CD1 3.81Å; I556-L567 HydrophobicContact CD1-CD1 4.39Å; P564-L567 HydrophobicContact CG-CD2 4.07Å; L567-F581 HydrophobicContact CD1-CD1 3.82Å; L567-F581 HydrophobicContact CD1-CE1 4.39Å; L567-F581 HydrophobicContact CD2-CB 4.21Å; L567-F582 CarbonylContact C-O 3.5Å; L567-F582 WeakPolarHBondContact CA-O 3.46Å
568	D	94.2	Very high	88.5	Confident	15 Å²	15	50.2 Å²	50.2	8%	0.08	26%	0.263	C	S	.	.	S	Bend	trans	-93.4	-25.9	175.2	-57.8	-37.3	0	0	0	111.8	F582 S583 G584 Q612 V613	D568-F582 PolarHBondContact N-O 2.9Å; D568-S583 WeakPolarHBondContact OD2-CA 3.41Å; D568-G584 WeakPolarHBondContact OD2-CA 2.99Å; D568-G584 PolarHBondContact OD2-N 3.24Å; D568-Q612 HydrophobicContact CB-CB 4.46Å; D568-Q612 WeakPolarHBondContact OD2-CB 3.44Å; D568-V613 CarbonylContact C-O 3.54Å; D568-V613 WeakPolarHBondContact CB-O 3.38Å
569	S	95.6	Very high	88.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	163.5	170.2	57.6	0	0	0	0	111.7	F582 V613 G615	S569-F582 PolarHBondContact O-N 2.82Å; S569-F582 WeakPolarHBondContact OG-CB 3.28Å; S569-F582 WeakPolarHBondContact OG-CD2 3.28Å; S569-V613 WeakPolarHBondContact CB-O 3.1Å; S569-V613 WeakPolarHBondContact OG-CG1 3.48Å; S569-V613 PolarHBondContact OG-O 2.95Å; S569-G615 VanDerWaalsContact CB-CA 3.44Å
570	A	96	Very high	89.3	Confident	4 Å²	4	42.2 Å²	42.2	3%	0.033	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	154.8	171.5	0	0	0	0	0	111.5	T525 F580 F581	T525-A570 WeakPolarHBondContact CB-O 3.48Å; T525-A570 HydrophobicContact CG2-CB 3.66Å; T525-A570 PolarHBondContact OG1-O 2.01Å; A570-F580 CarbonylContact C-O 3.55Å; A570-F580 WeakPolarHBondContact CA-O 3.46Å; A570-F580 WeakPolarHBondContact CB-O 3.39Å; A570-F581 HydrophobicContact CB-CD1 3.53Å; A570-F581 HydrophobicContact CB-CE1 3.93Å; A570-F581 HydrophobicContact CB-CG 4.34Å
571	F	94.2	Very high	89.4	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	148.4	169.5	71.3	-95.1	0	0	0	113.3	T525 L579 F580 F582 A616 M624 L626 F635 V637	T525-F571 WeakPolarHBondContact OG1-CA 2.96Å; F571-L579 WeakPolarHBondContact O-CA 3.4Å; F571-F580 HydrophobicContact CD1-CB 3.88Å; F571-F580 HydrophobicContact CD2-CB 4.37Å; F571-F580 HydrophobicContact CD2-CD2 4.1Å; F571-F580 HydrophobicContact CE1-CB 3.55Å; F571-F580 HydrophobicContact CE1-CD1 4.49Å; F571-F580 HydrophobicContact CE1-CD2 4.31Å; F571-F580 AromaticContact CE1-CG 3.89Å; F571-F580 HydrophobicContact CE1-CG 3.89Å; F571-F580 HydrophobicContact CE2-CB 4.06Å; F571-F580 AromaticContact CE2-CD2 3.37Å; F571-F580 HydrophobicContact CE2-CD2 3.37Å; F571-F580 AromaticContact CE2-CE2 3.96Å; F571-F580 HydrophobicContact CE2-CE2 3.96Å; F571-F580 AromaticContact CE2-CG 3.82Å; F571-F580 HydrophobicContact CE2-CG 3.82Å; F571-F580 HydrophobicContact CG-CB 4.29Å; F571-F580 HydrophobicContact CZ-CB 3.64Å; F571-F580 HydrophobicContact CZ-CD1 4.04Å; F571-F580 AromaticContact CZ-CD2 3.5Å; F571-F580 HydrophobicContact CZ-CD2 3.5Å; F571-F580 HydrophobicContact CZ-CE2 4.14Å; F571-F580 AromaticContact CZ-CG 3.45Å; F571-F580 HydrophobicContact CZ-CG 3.45Å; F571-F580 VanDerWaalsContact CZ-CG 3.45Å; F571-F580 PolarHBondContact N-O 3.29Å; F571-F580 PolarHBondContact O-N 3.45Å; F571-F582 AromaticContact CD1-CE2 3.8Å; F571-F582 HydrophobicContact CD1-CE2 3.8Å; F571-F582 AromaticContact CE1-CE2 3.52Å; F571-F582 HydrophobicContact CE1-CE2 3.52Å; F571-F582 AromaticContact CE1-CZ 3.85Å; F571-F582 HydrophobicContact CE1-CZ 3.85Å; F571-A616 HydrophobicContact CB-CB 4.07Å; F571-A616 HydrophobicContact CD1-CB 3.29Å; F571-A616 HydrophobicContact CE1-CB 3.92Å; F571-A616 HydrophobicContact CG-CB 3.89Å; F571-M624 HydrophobicContact CB-CE 4.1Å; F571-M624 HydrophobicContact CD1-CE 4.46Å; F571-M624 HydrophobicContact CD2-CE 3.55Å; F571-M624 HydrophobicContact CD2-CG 4.29Å; F571-M624 HydrophobicContact CD2-SD 4.4Å; F571-M624 HydrophobicContact CE2-CE 4.02Å; F571-M624 HydrophobicContact CE2-CG 3.77Å; F571-M624 HydrophobicContact CE2-SD 4.4Å; F571-M624 HydrophobicContact CG-CE 3.79Å; F571-M624 HydrophobicContact CZ-CG 4.04Å; F571-L626 HydrophobicContact CD1-CD2 4.42Å; F571-L626 HydrophobicContact CE1-CD2 3.72Å; F571-L626 HydrophobicContact CZ-CD2 4.47Å; F571-F635 HydrophobicContact CZ-CD1 4.17Å; F571-F635 AromaticContact CZ-CE1 3.9Å; F571-F635 HydrophobicContact CZ-CE1 3.9Å; F571-V637 HydrophobicContact CE2-CG2 4.46Å
572	E	92.6	Very high	89.9	Confident	29 Å²	29	37 Å²	37	14%	0.136	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.4	165.7	-166.2	-168.7	170.8	0	0	110.3	I527 G528 P574 K577 K578 L579	I527-E572 VanDerWaalsContact CA-OE2 3.28Å; I527-E572 WeakPolarHBondContact CA-OE2 3.36Å; I527-E572 HydrophobicContact CG1-CB 4.47Å; G528-E572 PolarHBondContact N-OE2 3.23Å; E572-P574 WeakPolarHBondContact O-CD 2.98Å; E572-K577 WeakPolarHBondContact OE1-CD 3.35Å; E572-K577 IonicContact OE1-NZ 2.68Å; E572-K577 PolarHBondContact OE1-NZ 3.22Å; E572-K578 WeakPolarHBondContact CA-O 3.47Å; E572-L579 HydrophobicContact CB-CD2 3.56Å; E572-L579 HydrophobicContact CG-CD2 3.71Å; E572-L579 HydrophobicContact CG-CG 4.45Å
573	E	87.8	Confident	90.6	Very high	5 Å²	5	36.3 Å²	36.3	2%	0.023	18%	0.179	C	C	.	.			trans	-84.4	121	163.2	-163.4	-73.1	158.1	0	0	109.5	L575 S576 K577 K578 V637	E573-L575 VanDerWaalsContact CD-N 3.32Å; E573-L575 PolarHBondContact O-N 2.93Å; E573-L575 VanDerWaalsContact OE1-CB 3.31Å; E573-L575 WeakPolarHBondContact OE1-CB 3.2Å; E573-L575 WeakPolarHBondContact OE1-CG 3.31Å; E573-L575 PolarHBondContact OE1-N 3.14Å; E573-L575 WeakPolarHBondContact OE2-CA 3.48Å; E573-L575 WeakPolarHBondContact OE2-CB 3.33Å; E573-L575 PolarHBondContact OE2-N 3.17Å; E573-S576 WeakPolarHBondContact OE2-CB 3.45Å; E573-S576 PolarHBondContact OE2-N 3.28Å; E573-S576 PolarHBondContact OE2-OG 2.85Å; E573-K577 WeakPolarHBondContact O-CA 3.4Å; E573-K577 PolarHBondContact O-N 2.98Å; E573-K578 PolarHBondContact N-O 3.03Å; E573-V637 HydrophobicContact CB-CG1 3.94Å; E573-V637 HydrophobicContact CG-CB 4.13Å; E573-V637 HydrophobicContact CG-CG1 3.81Å; E573-V637 HydrophobicContact CG-CG2 3.96Å
574	P	82.4	Confident	90.6	Very high	48 Å²	48	37.3 Å²	37.3	31%	0.312	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-27.8	-169.4	-27.4	36.8	0	0	0	117	E572 K577	E572-P574 WeakPolarHBondContact O-CD 2.98Å; P574-K577 VanDerWaalsContact O-CE 3.23Å; P574-K577 WeakPolarHBondContact O-CE 3.39Å; P574-K577 PolarHBondContact O-NZ 2.95Å
575	L	81.2	Confident	90.6	Very high	124 Å²	124	38.2 Å²	38.2	65%	0.649	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-46.3	-174.5	-62.5	172.6	0	0	0	112.5	E573 A621	E573-L575 VanDerWaalsContact CD-N 3.32Å; E573-L575 PolarHBondContact O-N 2.93Å; E573-L575 VanDerWaalsContact OE1-CB 3.31Å; E573-L575 WeakPolarHBondContact OE1-CB 3.2Å; E573-L575 WeakPolarHBondContact OE1-CG 3.31Å; E573-L575 PolarHBondContact OE1-N 3.14Å; E573-L575 WeakPolarHBondContact OE2-CA 3.48Å; E573-L575 WeakPolarHBondContact OE2-CB 3.33Å; E573-L575 PolarHBondContact OE2-N 3.17Å; L575-A621 HydrophobicContact CD1-CB 3.85Å
576	S	81.9	Confident	90.8	Very high	49 Å²	49	34.1 Å²	34.1	34%	0.343	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-13.7	-176.7	63.8	0	0	0	0	112.8	E573 K578	E573-S576 WeakPolarHBondContact OE2-CB 3.45Å; E573-S576 PolarHBondContact OE2-N 3.28Å; E573-S576 PolarHBondContact OE2-OG 2.85Å; S576-K578 PolarHBondContact O-N 2.94Å; S576-K578 VanDerWaalsContact O-N 3.15Å
577	K	87.9	Confident	91	Very high	111 Å²	111	28.5 Å²	28.5	48%	0.483	15%	0.152	S	C	.	.			trans	58.3	24.8	-177.8	-57.8	-59.1	-172.6	-175.4	0	113	E572 E573 P574	E572-K577 WeakPolarHBondContact OE1-CD 3.35Å; E572-K577 IonicContact OE1-NZ 2.68Å; E572-K577 PolarHBondContact OE1-NZ 3.22Å; E573-K577 WeakPolarHBondContact O-CA 3.4Å; E573-K577 PolarHBondContact O-N 2.98Å; P574-K577 VanDerWaalsContact O-CE 3.23Å; P574-K577 WeakPolarHBondContact O-CE 3.39Å; P574-K577 PolarHBondContact O-NZ 2.95Å
578	K	90	Very high	90.9	Very high	61 Å²	61	28.8 Å²	28.8	27%	0.265	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.7	174.3	-71.8	-175.4	176.1	-175.5	0	109.5	E572 E573 S576 F580 V589 Y590	E572-K578 WeakPolarHBondContact CA-O 3.47Å; E573-K578 PolarHBondContact N-O 3.03Å; S576-K578 PolarHBondContact O-N 2.94Å; S576-K578 VanDerWaalsContact O-N 3.15Å; K578-F580 HydrophobicContact CB-CD2 4.38Å; K578-F580 HydrophobicContact CB-CE2 3.78Å; K578-V589 HydrophobicContact CB-CG1 4.26Å; K578-V589 HydrophobicContact CD-CG1 4.2Å; K578-Y590 VanDerWaalsContact CA-O 3.3Å; K578-Y590 WeakPolarHBondContact CA-O 3.39Å
579	L	93.6	Very high	90.8	Very high	22 Å²	22	28.2 Å²	28.2	12%	0.115	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.5	172.7	-65.6	165.3	0	0	0	109	I527 W560 F571 E572 F581 V589 Y590	I527-L579 HydrophobicContact CB-CD2 4.25Å; I527-L579 HydrophobicContact CD1-CD1 4.49Å; I527-L579 HydrophobicContact CD1-CD2 3.67Å; I527-L579 HydrophobicContact CG1-CD2 3.59Å; I527-L579 HydrophobicContact CG2-CD1 4.39Å; I527-L579 HydrophobicContact CG2-CD2 3.76Å; W560-L579 HydrophobicContact CZ2-CD1 4.34Å; F571-L579 WeakPolarHBondContact O-CA 3.4Å; E572-L579 HydrophobicContact CB-CD2 3.56Å; E572-L579 HydrophobicContact CG-CD2 3.71Å; E572-L579 HydrophobicContact CG-CG 4.45Å; L579-F581 HydrophobicContact CB-CD2 4.22Å; L579-F581 HydrophobicContact CB-CE2 3.47Å; L579-F581 VanDerWaalsContact CB-CE2 3.47Å; L579-F581 HydrophobicContact CB-CZ 4Å; L579-F581 HydrophobicContact CD1-CE2 4.22Å; L579-F581 HydrophobicContact CD1-CZ 4.19Å; L579-F581 HydrophobicContact CG-CE2 4.4Å; L579-V589 CarbonylContact O-C 3.58Å; L579-V589 VanDerWaalsContact O-CA 3.27Å; L579-V589 WeakPolarHBondContact O-CA 3.43Å; L579-Y590 PolarHBondContact N-O 3.05Å; L579-Y590 PolarHBondContact O-N 3.43Å
580	F	94.6	Very high	90.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	131.5	173.1	-69.6	-104.5	0	0	0	108.1	A570 F571 K578 F582 V587 W588 V589 F635 V637 Q640	A570-F580 CarbonylContact C-O 3.55Å; A570-F580 WeakPolarHBondContact CA-O 3.46Å; A570-F580 WeakPolarHBondContact CB-O 3.39Å; F571-F580 HydrophobicContact CD1-CB 3.88Å; F571-F580 HydrophobicContact CD2-CB 4.37Å; F571-F580 HydrophobicContact CD2-CD2 4.1Å; F571-F580 HydrophobicContact CE1-CB 3.55Å; F571-F580 HydrophobicContact CE1-CD1 4.49Å; F571-F580 HydrophobicContact CE1-CD2 4.31Å; F571-F580 AromaticContact CE1-CG 3.89Å; F571-F580 HydrophobicContact CE1-CG 3.89Å; F571-F580 HydrophobicContact CE2-CB 4.06Å; F571-F580 AromaticContact CE2-CD2 3.37Å; F571-F580 HydrophobicContact CE2-CD2 3.37Å; F571-F580 AromaticContact CE2-CE2 3.96Å; F571-F580 HydrophobicContact CE2-CE2 3.96Å; F571-F580 AromaticContact CE2-CG 3.82Å; F571-F580 HydrophobicContact CE2-CG 3.82Å; F571-F580 HydrophobicContact CG-CB 4.29Å; F571-F580 HydrophobicContact CZ-CB 3.64Å; F571-F580 HydrophobicContact CZ-CD1 4.04Å; F571-F580 AromaticContact CZ-CD2 3.5Å; F571-F580 HydrophobicContact CZ-CD2 3.5Å; F571-F580 HydrophobicContact CZ-CE2 4.14Å; F571-F580 AromaticContact CZ-CG 3.45Å; F571-F580 HydrophobicContact CZ-CG 3.45Å; F571-F580 VanDerWaalsContact CZ-CG 3.45Å; F571-F580 PolarHBondContact N-O 3.29Å; F571-F580 PolarHBondContact O-N 3.45Å; K578-F580 HydrophobicContact CB-CD2 4.38Å; K578-F580 HydrophobicContact CB-CE2 3.78Å; F580-F582 HydrophobicContact CB-CE2 3.76Å; F580-F582 HydrophobicContact CB-CZ 4.16Å; F580-F582 HydrophobicContact CD1-CZ 4.47Å; F580-V587 HydrophobicContact CD1-CG2 4.16Å; F580-W588 WeakPolarHBondContact CA-O 3.33Å; F580-V589 HydrophobicContact CD1-CB 4.47Å; F580-V589 HydrophobicContact CD1-CG1 4.25Å; F580-V589 HydrophobicContact CD1-CG2 3.58Å; F580-V589 HydrophobicContact CD2-CG1 4.38Å; F580-V589 HydrophobicContact CE1-CB 4.34Å; F580-V589 HydrophobicContact CE1-CG1 3.9Å; F580-V589 HydrophobicContact CE1-CG2 3.48Å; F580-V589 VanDerWaalsContact CE1-CG2 3.48Å; F580-V589 HydrophobicContact CE2-CG1 4.04Å; F580-V589 HydrophobicContact CG-CG1 4.47Å; F580-V589 HydrophobicContact CG-CG2 4.4Å; F580-V589 HydrophobicContact CZ-CG1 3.79Å; F580-V589 HydrophobicContact CZ-CG2 4.24Å; F580-F635 HydrophobicContact CE1-CE1 4.14Å; F580-F635 AromaticContact CE1-CZ 3.95Å; F580-F635 HydrophobicContact CE1-CZ 3.95Å; F580-F635 HydrophobicContact CZ-CE1 4.32Å; F580-F635 HydrophobicContact CZ-CZ 4.44Å; F580-V637 HydrophobicContact CE2-CG1 3.65Å; F580-V637 HydrophobicContact CZ-CG1 3.75Å; F580-Q640 HydrophobicContact CE1-CG 4.26Å; F580-Q640 HydrophobicContact CZ-CG 4.22Å
581	F	96.4	Very high	90	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.9	175.7	-62.5	-87.3	0	0	0	108.3	F534 W560 L563 L567 A570 L579 V587 W588 Y590	F534-F581 HydrophobicContact CE1-CE1 4.32Å; F534-F581 AromaticContact CZ-CE1 3.9Å; F534-F581 HydrophobicContact CZ-CE1 3.9Å; W560-F581 HydrophobicContact CD2-CZ 4.02Å; W560-F581 AromaticContact CE2-CZ 3.66Å; W560-F581 HydrophobicContact CG-CE2 4.48Å; W560-F581 HydrophobicContact CG-CZ 4.31Å; W560-F581 AromaticContact CZ2-CZ 3.98Å; W560-F581 HydrophobicContact CZ2-CZ 3.98Å; W560-F581 AromaticContact NE1-CE2 3.95Å; W560-F581 AromaticContact NE1-CZ 3.76Å; L563-F581 HydrophobicContact CD1-CB 4.08Å; L563-F581 HydrophobicContact CD1-CD1 3.45Å; L563-F581 VanDerWaalsContact CD1-CD1 3.45Å; L563-F581 HydrophobicContact CD1-CD2 3.61Å; L563-F581 HydrophobicContact CD1-CE1 3.63Å; L563-F581 HydrophobicContact CD1-CE2 3.75Å; L563-F581 HydrophobicContact CD1-CG 3.44Å; L563-F581 VanDerWaalsContact CD1-CG 3.44Å; L563-F581 HydrophobicContact CD1-CZ 3.77Å; L563-F581 HydrophobicContact CD2-CB 3.39Å; L563-F581 HydrophobicContact CD2-CD1 4.38Å; L563-F581 HydrophobicContact CD2-CD2 3.76Å; L563-F581 HydrophobicContact CD2-CG 3.61Å; L563-F581 HydrophobicContact CG-CB 4.39Å; L563-F581 HydrophobicContact CG-CD2 4.25Å; L563-F581 HydrophobicContact CG-CG 4.18Å; L567-F581 HydrophobicContact CD1-CD1 3.82Å; L567-F581 HydrophobicContact CD1-CE1 4.39Å; L567-F581 HydrophobicContact CD2-CB 4.21Å; A570-F581 HydrophobicContact CB-CD1 3.53Å; A570-F581 HydrophobicContact CB-CE1 3.93Å; A570-F581 HydrophobicContact CB-CG 4.34Å; L579-F581 HydrophobicContact CB-CD2 4.22Å; L579-F581 HydrophobicContact CB-CE2 3.47Å; L579-F581 VanDerWaalsContact CB-CE2 3.47Å; L579-F581 HydrophobicContact CB-CZ 4Å; L579-F581 HydrophobicContact CD1-CE2 4.22Å; L579-F581 HydrophobicContact CD1-CZ 4.19Å; L579-F581 HydrophobicContact CG-CE2 4.4Å; F581-V587 CarbonylContact O-C 3.59Å; F581-V587 VanDerWaalsContact O-CA 3.26Å; F581-V587 WeakPolarHBondContact O-CA 3.21Å; F581-V587 WeakPolarHBondContact O-CG2 3.44Å; F581-W588 HydrophobicContact CB-CB 4.45Å; F581-W588 PolarHBondContact N-O 2.58Å; F581-W588 PolarHBondContact O-N 2.88Å; F581-Y590 AromaticContact CD2-CD2 3.72Å; F581-Y590 HydrophobicContact CD2-CD2 3.72Å; F581-Y590 HydrophobicContact CD2-CE2 4.12Å; F581-Y590 AromaticContact CE2-CD2 3.69Å; F581-Y590 HydrophobicContact CE2-CD2 3.69Å; F581-Y590 HydrophobicContact CE2-CE2 4.23Å; F581-Y590 HydrophobicContact CE2-CG 4.33Å
582	F	95.8	Very high	89.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.7	-177.6	-60.7	-91.1	0	0	0	109.8	L567 D568 S569 F571 F580 Q586 V587 L601 L604 V613 L626	L567-F582 CarbonylContact C-O 3.5Å; L567-F582 WeakPolarHBondContact CA-O 3.46Å; D568-F582 PolarHBondContact N-O 2.9Å; S569-F582 PolarHBondContact O-N 2.82Å; S569-F582 WeakPolarHBondContact OG-CB 3.28Å; S569-F582 WeakPolarHBondContact OG-CD2 3.28Å; F571-F582 AromaticContact CD1-CE2 3.8Å; F571-F582 HydrophobicContact CD1-CE2 3.8Å; F571-F582 AromaticContact CE1-CE2 3.52Å; F571-F582 HydrophobicContact CE1-CE2 3.52Å; F571-F582 AromaticContact CE1-CZ 3.85Å; F571-F582 HydrophobicContact CE1-CZ 3.85Å; F580-F582 HydrophobicContact CB-CE2 3.76Å; F580-F582 HydrophobicContact CB-CZ 4.16Å; F580-F582 HydrophobicContact CD1-CZ 4.47Å; F582-Q586 WeakPolarHBondContact CA-O 3.3Å; F582-V587 HydrophobicContact CD1-CB 3.84Å; F582-V587 HydrophobicContact CD1-CG2 3.73Å; F582-V587 HydrophobicContact CE1-CB 3.8Å; F582-V587 HydrophobicContact CE1-CG2 3.4Å; F582-V587 HydrophobicContact CE2-CG2 4.36Å; F582-V587 HydrophobicContact CG-CG2 4.38Å; F582-V587 HydrophobicContact CZ-CG2 3.74Å; F582-L601 HydrophobicContact CD1-CD2 3.75Å; F582-L601 HydrophobicContact CE1-CD2 4.01Å; F582-L604 HydrophobicContact CE1-CD1 3.68Å; F582-L604 HydrophobicContact CZ-CD1 4.31Å; F582-V613 HydrophobicContact CB-CB 4.08Å; F582-V613 HydrophobicContact CD1-CB 3.81Å; F582-V613 HydrophobicContact CD1-CG1 4.32Å; F582-V613 HydrophobicContact CD1-CG2 3.75Å; F582-V613 HydrophobicContact CD2-CB 4.48Å; F582-V613 HydrophobicContact CD2-CG1 4.36Å; F582-V613 HydrophobicContact CE1-CB 4.35Å; F582-V613 HydrophobicContact CE1-CG2 4.02Å; F582-V613 HydrophobicContact CG-CB 3.87Å; F582-V613 HydrophobicContact CG-CG1 4.23Å; F582-V613 HydrophobicContact CG-CG2 4.34Å; F582-L626 HydrophobicContact CZ-CD1 4.39Å; F582-L626 HydrophobicContact CZ-CD2 4.23Å
583	S	94.1	Very high	88.6	Confident	23 Å²	23	38.4 Å²	38.4	16%	0.161	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	123.5	173	-174.1	0	0	0	0	108.3	P564 K566 D568 R585 Q586	P564-S583 WeakPolarHBondContact CG-OG 3.4Å; K566-S583 WeakPolarHBondContact O-CB 3.45Å; K566-S583 PolarHBondContact O-OG 2.71Å; D568-S583 WeakPolarHBondContact OD2-CA 3.41Å; S583-R585 PolarHBondContact O-N 2.94Å; S583-Q586 PolarHBondContact N-O 2.84Å; S583-Q586 WeakPolarHBondContact O-CA 3.27Å; S583-Q586 WeakPolarHBondContact O-CB 3.4Å; S583-Q586 PolarHBondContact O-N 3.18Å
584	G	89.3	Confident	87.9	Confident	23 Å²	23	42.2 Å²	42.2	24%	0.237	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.7	-129	-165	0	0	0	0	0	111.7	D568 Q586 A611 Q612	D568-G584 WeakPolarHBondContact OD2-CA 2.99Å; D568-G584 PolarHBondContact OD2-N 3.24Å; G584-Q586 PolarHBondContact O-N 3.19Å; G584-A611 CarbonylContact C-O 3.56Å; G584-Q612 WeakPolarHBondContact O-CA 3.39Å
585	R	87.1	Confident	88	Confident	38 Å²	38	42.8 Å²	42.8	14%	0.143	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	17.5	176.3	-63.4	-161.5	73.4	109.4	9.4	114.2	S583 R600 L601 G607 A608 V610 A611	S583-R585 PolarHBondContact O-N 2.94Å; R585-R600 CarbonylContact O-C 3.6Å; R585-R600 VanDerWaalsContact O-CA 3.24Å; R585-R600 WeakPolarHBondContact O-CA 3.28Å; R585-L601 PolarHBondContact O-N 3.28Å; R585-G607 PolarHBondContact NH2-O 2.91Å; R585-A608 VanDerWaalsContact NH1-C 3.3Å; R585-A608 PolarHBondContact NH1-O 2.93Å; R585-V610 PolarHBondContact NH1-O 3.5Å; R585-V610 PolarHBondContact NH2-O 3.34Å; R585-A611 WeakPolarHBondContact CG-O 2.94Å; R585-A611 PolarHBondContact N-O 2.76Å
586	Q	88.3	Confident	87.4	Confident	39 Å²	39	39.8 Å²	39.8	18%	0.182	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.7	-175.4	-60.5	-179.8	-3.1	0	0	111.9	F582 S583 G584 W588 P598 R599	F582-Q586 WeakPolarHBondContact CA-O 3.3Å; S583-Q586 PolarHBondContact N-O 2.84Å; S583-Q586 WeakPolarHBondContact O-CA 3.27Å; S583-Q586 WeakPolarHBondContact O-CB 3.4Å; S583-Q586 PolarHBondContact O-N 3.18Å; G584-Q586 PolarHBondContact O-N 3.19Å; Q586-W588 HydrophobicContact CB-CE3 4.43Å; Q586-W588 HydrophobicContact CB-CH2 3.46Å; Q586-W588 VanDerWaalsContact CB-CH2 3.46Å; Q586-W588 HydrophobicContact CB-CZ2 4.27Å; Q586-W588 HydrophobicContact CB-CZ3 3.56Å; Q586-W588 HydrophobicContact CG-CH2 4.39Å; Q586-P598 HydrophobicContact CB-CB 3.84Å; Q586-P598 HydrophobicContact CG-CB 3.96Å; Q586-P598 VanDerWaalsContact OE1-CB 3.27Å; Q586-R599 CarbonylContact C-O 3.54Å; Q586-R599 VanDerWaalsContact CA-O 3.23Å; Q586-R599 WeakPolarHBondContact CA-O 3.09Å
587	V	92.9	Very high	86.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.8	173.5	66.4	0	0	0	0	110.7	F580 F581 F582 V589 R599 L601 L604	F580-V587 HydrophobicContact CD1-CG2 4.16Å; F581-V587 CarbonylContact O-C 3.59Å; F581-V587 VanDerWaalsContact O-CA 3.26Å; F581-V587 WeakPolarHBondContact O-CA 3.21Å; F581-V587 WeakPolarHBondContact O-CG2 3.44Å; F582-V587 HydrophobicContact CD1-CB 3.84Å; F582-V587 HydrophobicContact CD1-CG2 3.73Å; F582-V587 HydrophobicContact CE1-CB 3.8Å; F582-V587 HydrophobicContact CE1-CG2 3.4Å; F582-V587 HydrophobicContact CE2-CG2 4.36Å; F582-V587 HydrophobicContact CG-CG2 4.38Å; F582-V587 HydrophobicContact CZ-CG2 3.74Å; V587-V589 HydrophobicContact CG2-CG2 4.4Å; V587-R599 HydrophobicContact CG1-CB 3.8Å; V587-R599 WeakPolarHBondContact CG1-O 3.42Å; V587-R599 PolarHBondContact N-O 3.31Å; V587-R599 PolarHBondContact O-N 3.25Å; V587-L601 HydrophobicContact CB-CD2 4.41Å; V587-L604 HydrophobicContact CB-CD1 4.28Å; V587-L604 HydrophobicContact CG1-CD1 3.96Å; V587-L604 HydrophobicContact CG1-CD2 4.22Å; V587-L604 HydrophobicContact CG1-CG 4.15Å; V587-L604 HydrophobicContact CG2-CD1 4.35Å
588	W	93.8	Very high	86.4	Confident	7 Å²	7	36.4 Å²	36.4	3%	0.027	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.3	169.9	-63.8	-106.2	0	0	0	109.2	A562 L563 P564 F580 F581 Q586 Y590 V595 L596 P598	A562-W588 PolarHBondContact O-NE1 2.01Å; L563-W588 HydrophobicContact CD2-CB 3.53Å; L563-W588 HydrophobicContact CD2-CD2 3.89Å; L563-W588 HydrophobicContact CD2-CE3 4.18Å; L563-W588 HydrophobicContact CD2-CG 3.62Å; P564-W588 HydrophobicContact CB-CH2 4.5Å; P564-W588 VanDerWaalsContact CD-CH2 3.49Å; P564-W588 HydrophobicContact CG-CH2 3.55Å; P564-W588 HydrophobicContact CG-CZ2 4.1Å; P564-W588 HydrophobicContact CG-CZ3 3.85Å; F580-W588 WeakPolarHBondContact CA-O 3.33Å; F581-W588 HydrophobicContact CB-CB 4.45Å; F581-W588 PolarHBondContact N-O 2.58Å; F581-W588 PolarHBondContact O-N 2.88Å; Q586-W588 HydrophobicContact CB-CE3 4.43Å; Q586-W588 HydrophobicContact CB-CH2 3.46Å; Q586-W588 VanDerWaalsContact CB-CH2 3.46Å; Q586-W588 HydrophobicContact CB-CZ2 4.27Å; Q586-W588 HydrophobicContact CB-CZ3 3.56Å; Q586-W588 HydrophobicContact CG-CH2 4.39Å; W588-Y590 HydrophobicContact CB-CD2 4.47Å; W588-Y590 HydrophobicContact CB-CE2 4.16Å; W588-V595 HydrophobicContact CB-CG2 4.12Å; W588-V595 HydrophobicContact CG-CG2 4.46Å; W588-L596 CarbonylContact C-O 3.56Å; W588-L596 WeakPolarHBondContact CA-O 3.28Å; W588-P598 HydrophobicContact CD2-CB 4.38Å; W588-P598 HydrophobicContact CH2-CB 4.09Å; W588-P598 HydrophobicContact CZ2-CB 3.5Å; W588-P598 VanDerWaalsContact CZ2-CB 3.5Å; W588-P598 HydrophobicContact CZ2-CG 4.08Å
589	V	92.4	Very high	85.7	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.024	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	110.3	178.2	-168.3	0	0	0	0	109.2	K578 L579 F580 V587 L596	K578-V589 HydrophobicContact CB-CG1 4.26Å; K578-V589 HydrophobicContact CD-CG1 4.2Å; L579-V589 CarbonylContact O-C 3.58Å; L579-V589 VanDerWaalsContact O-CA 3.27Å; L579-V589 WeakPolarHBondContact O-CA 3.43Å; F580-V589 HydrophobicContact CD1-CB 4.47Å; F580-V589 HydrophobicContact CD1-CG1 4.25Å; F580-V589 HydrophobicContact CD1-CG2 3.58Å; F580-V589 HydrophobicContact CD2-CG1 4.38Å; F580-V589 HydrophobicContact CE1-CB 4.34Å; F580-V589 HydrophobicContact CE1-CG1 3.9Å; F580-V589 HydrophobicContact CE1-CG2 3.48Å; F580-V589 VanDerWaalsContact CE1-CG2 3.48Å; F580-V589 HydrophobicContact CE2-CG1 4.04Å; F580-V589 HydrophobicContact CG-CG1 4.47Å; F580-V589 HydrophobicContact CG-CG2 4.4Å; F580-V589 HydrophobicContact CZ-CG1 3.79Å; F580-V589 HydrophobicContact CZ-CG2 4.24Å; V587-V589 HydrophobicContact CG2-CG2 4.4Å; V589-L596 HydrophobicContact CB-CB 4.41Å; V589-L596 PolarHBondContact N-O 3.31Å; V589-L596 PolarHBondContact O-N 3.5Å
590	Y	88.8	Confident	84.9	Confident	5 Å²	5	38.8 Å²	38.8	2%	0.02	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	137.6	174.7	-77	-104.8	0	0	0	110.8	W560 A562 L563 K578 L579 F581 W588 S594 V595	W560-Y590 VanDerWaalsContact C-OH 3.31Å; W560-Y590 WeakPolarHBondContact CA-OH 3.34Å; W560-Y590 HydrophobicContact CB-CE1 4.17Å; W560-Y590 HydrophobicContact CB-CE2 4.28Å; W560-Y590 AromaticContact CD1-CD1 3.7Å; W560-Y590 AromaticContact CD1-CE1 3.61Å; W560-Y590 AromaticContact CD1-CG 3.94Å; W560-Y590 AromaticContact CD1-CZ 3.79Å; W560-Y590 HydrophobicContact CG-CE1 4.3Å; W560-Y590 HydrophobicContact CG-CE2 4.48Å; A562-Y590 WeakPolarHBondContact CB-OH 3.43Å; A562-Y590 PolarHBondContact N-OH 3.12Å; L563-Y590 HydrophobicContact CD1-CE2 4.2Å; L563-Y590 HydrophobicContact CD2-CE2 3.66Å; L563-Y590 HydrophobicContact CG-CE2 3.69Å; K578-Y590 VanDerWaalsContact CA-O 3.3Å; K578-Y590 WeakPolarHBondContact CA-O 3.39Å; L579-Y590 PolarHBondContact N-O 3.05Å; L579-Y590 PolarHBondContact O-N 3.43Å; F581-Y590 AromaticContact CD2-CD2 3.72Å; F581-Y590 HydrophobicContact CD2-CD2 3.72Å; F581-Y590 HydrophobicContact CD2-CE2 4.12Å; F581-Y590 AromaticContact CE2-CD2 3.69Å; F581-Y590 HydrophobicContact CE2-CD2 3.69Å; F581-Y590 HydrophobicContact CE2-CE2 4.23Å; F581-Y590 HydrophobicContact CE2-CG 4.33Å; W588-Y590 HydrophobicContact CB-CD2 4.47Å; W588-Y590 HydrophobicContact CB-CE2 4.16Å; Y590-S594 CarbonylContact C-O 3.56Å; Y590-S594 VanDerWaalsContact CA-O 3.32Å; Y590-S594 WeakPolarHBondContact CA-O 3.08Å; Y590-V595 HydrophobicContact CD1-CB 3.88Å; Y590-V595 HydrophobicContact CD1-CG2 4.31Å; Y590-V595 HydrophobicContact CD2-CB 4.2Å; Y590-V595 HydrophobicContact CD2-CG2 3.72Å; Y590-V595 HydrophobicContact CE1-CB 3.6Å; Y590-V595 HydrophobicContact CE1-CG1 4.39Å; Y590-V595 HydrophobicContact CE1-CG2 3.99Å; Y590-V595 HydrophobicContact CE2-CB 3.93Å; Y590-V595 HydrophobicContact CE2-CG2 3.33Å; Y590-V595 HydrophobicContact CG-CB 4.18Å; Y590-V595 HydrophobicContact CG-CG2 4.2Å; Y590-V595 VanDerWaalsContact CZ-CG2 3.49Å
591	T	85.9	Confident	84.3	Confident	75 Å²	75	38.8 Å²	38.8	46%	0.46	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	94.8	169.4	-52.4	0	0	0	0	107.7	A593 S594	T591-A593 PolarHBondContact O-N 3.08Å; T591-S594 PolarHBondContact N-O 2.82Å; T591-S594 PolarHBondContact O-N 2.87Å
592	G	81.9	Confident	83.4	Confident	68 Å²	68	41.5 Å²	41.5	70%	0.701	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	-126.3	-166.8	0	0	0	0	0	110.9
593	A	75	Confident	82.3	Confident	104 Å²	104	45.2 Å²	45.2	86%	0.86	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-14.2	178.6	0	0	0	0	0	114	T591	T591-A593 PolarHBondContact O-N 3.08Å
594	S	72.4	Confident	81.6	Confident	86 Å²	86	44.1 Å²	44.1	60%	0.601	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	140.1	-178.4	-57.8	0	0	0	0	111.2	Y590 T591	Y590-S594 CarbonylContact C-O 3.56Å; Y590-S594 VanDerWaalsContact CA-O 3.32Å; Y590-S594 WeakPolarHBondContact CA-O 3.08Å; T591-S594 PolarHBondContact N-O 2.82Å; T591-S594 PolarHBondContact O-N 2.87Å
595	V	85.3	Confident	81	Confident	59 Å²	59	44.3 Å²	44.3	36%	0.358	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.2	178.7	61.3	0	0	0	0	111.6	A562 W588 Y590	A562-V595 HydrophobicContact CB-CB 4.45Å; A562-V595 HydrophobicContact CB-CG1 3.77Å; A562-V595 HydrophobicContact CB-CG2 4.1Å; W588-V595 HydrophobicContact CB-CG2 4.12Å; W588-V595 HydrophobicContact CG-CG2 4.46Å; Y590-V595 HydrophobicContact CD1-CB 3.88Å; Y590-V595 HydrophobicContact CD1-CG2 4.31Å; Y590-V595 HydrophobicContact CD2-CB 4.2Å; Y590-V595 HydrophobicContact CD2-CG2 3.72Å; Y590-V595 HydrophobicContact CE1-CB 3.6Å; Y590-V595 HydrophobicContact CE1-CG1 4.39Å; Y590-V595 HydrophobicContact CE1-CG2 3.99Å; Y590-V595 HydrophobicContact CE2-CB 3.93Å; Y590-V595 HydrophobicContact CE2-CG2 3.33Å; Y590-V595 HydrophobicContact CG-CB 4.18Å; Y590-V595 HydrophobicContact CG-CG2 4.2Å; Y590-V595 VanDerWaalsContact CZ-CG2 3.49Å
596	L	67.6	Low	80.7	Confident	62 Å²	62	42.7 Å²	42.7	33%	0.325	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	108.8	168.5	178.5	72.3	0	0	0	108.2	W588 V589	W588-L596 CarbonylContact C-O 3.56Å; W588-L596 WeakPolarHBondContact CA-O 3.28Å; V589-L596 HydrophobicContact CB-CB 4.41Å; V589-L596 PolarHBondContact N-O 3.31Å; V589-L596 PolarHBondContact O-N 3.5Å
597	G	72.4	Confident	80.1	Confident	30 Å²	30	42.2 Å²	42.2	31%	0.309	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	152.3	174	-178.5	0	0	0	0	0	112.7
598	P	76.4	Confident	79.3	Confident	59 Å²	59	46.7 Å²	46.7	38%	0.383	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-65.7	136.9	-2.9	21.8	-28.2	0	0	0	112.3	Q586 W588	Q586-P598 HydrophobicContact CB-CB 3.84Å; Q586-P598 HydrophobicContact CG-CB 3.96Å; Q586-P598 VanDerWaalsContact OE1-CB 3.27Å; W588-P598 HydrophobicContact CD2-CB 4.38Å; W588-P598 HydrophobicContact CH2-CB 4.09Å; W588-P598 HydrophobicContact CZ2-CB 3.5Å; W588-P598 VanDerWaalsContact CZ2-CB 3.5Å; W588-P598 HydrophobicContact CZ2-CG 4.08Å
599	R	76.6	Confident	78.6	Confident	12 Å²	12	51.6 Å²	51.6	5%	0.045	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.9	170.1	-73.6	176.4	57.8	-144.7	-16.3	109.1	S308 Q586 V587	S308-R599 PolarHBondContact O-NE 3.38Å; S308-R599 PolarHBondContact O-NH2 3.22Å; S308-R599 PolarHBondContact OG-NH1 2.94Å; S308-R599 VanDerWaalsContact OG-NH1 3.16Å; S308-R599 PolarHBondContact OG-NH2 3.04Å; Q586-R599 CarbonylContact C-O 3.54Å; Q586-R599 VanDerWaalsContact CA-O 3.23Å; Q586-R599 WeakPolarHBondContact CA-O 3.09Å; V587-R599 HydrophobicContact CG1-CB 3.8Å; V587-R599 WeakPolarHBondContact CG1-O 3.42Å; V587-R599 PolarHBondContact N-O 3.31Å; V587-R599 PolarHBondContact O-N 3.25Å
600	R	75.8	Confident	78.2	Confident	121 Å²	121	51.5 Å²	51.5	46%	0.457	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	148.8	178.4	-67	173.1	65.8	-179.6	4	111.7	V172 R585 D602 K603	V172-R600 VanDerWaalsContact CG2-NH1 3.33Å; R585-R600 CarbonylContact O-C 3.6Å; R585-R600 VanDerWaalsContact O-CA 3.24Å; R585-R600 WeakPolarHBondContact O-CA 3.28Å; R600-D602 WeakPolarHBondContact CB-OD1 3.33Å; R600-D602 IonicContact NE-OD1 2.87Å; R600-D602 PolarHBondContact O-N 2.84Å; R600-K603 VanDerWaalsContact O-CB 3.29Å; R600-K603 WeakPolarHBondContact O-CB 3.41Å; R600-K603 PolarHBondContact O-N 2.81Å; R600-K603 VanDerWaalsContact O-N 3.14Å
601	L	83.2	Confident	78	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-64.3	-25.3	179.1	-68	-176	0	0	0	113.9	F582 R585 V587 K603 L604 G605 L606 V610 V613	F582-L601 HydrophobicContact CD1-CD2 3.75Å; F582-L601 HydrophobicContact CE1-CD2 4.01Å; R585-L601 PolarHBondContact O-N 3.28Å; V587-L601 HydrophobicContact CB-CD2 4.41Å; L601-K603 PolarHBondContact O-N 2.91Å; L601-L604 HydrophobicContact CD2-CD1 4.11Å; L601-L604 WeakPolarHBondContact O-CA 3.27Å; L601-L604 WeakPolarHBondContact O-CB 3.38Å; L601-L604 PolarHBondContact O-N 3.17Å; L601-G605 PolarHBondContact O-N 2.56Å; L601-L606 HydrophobicContact CB-CB 4.17Å; L601-L606 HydrophobicContact CB-CD1 4.04Å; L601-L606 HydrophobicContact CD1-CD1 4.24Å; L601-L606 HydrophobicContact CD2-CD1 4.17Å; L601-L606 HydrophobicContact CG-CD1 4.35Å; L601-L606 WeakPolarHBondContact O-CB 3.38Å; L601-L606 PolarHBondContact O-N 3.09Å; L601-V610 HydrophobicContact CD1-CG1 4.32Å; L601-V613 HydrophobicContact CD1-CG2 3.87Å; L601-V613 HydrophobicContact CD2-CG2 3.91Å
602	D	75.8	Confident	78.2	Confident	57 Å²	57	54.3 Å²	54.3	31%	0.305	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-60.2	-31.6	173.6	69	-39.9	0	0	0	112	R600 L604 G605 L606	R600-D602 WeakPolarHBondContact CB-OD1 3.33Å; R600-D602 IonicContact NE-OD1 2.87Å; R600-D602 PolarHBondContact O-N 2.84Å; D602-L604 PolarHBondContact O-N 2.64Å; D602-G605 WeakPolarHBondContact O-CA 3.39Å; D602-G605 PolarHBondContact O-N 2.92Å; D602-L606 WeakPolarHBondContact CA-O 3.37Å
603	K	73	Confident	78.9	Confident	78 Å²	78	51.1 Å²	51.1	34%	0.339	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-69.3	-17.1	173.5	-60.1	-53	-172.6	-169.1	0	113.6	S308 R600 L601 G605	S308-K603 WeakPolarHBondContact O-CB 3.38Å; S308-K603 WeakPolarHBondContact O-CD 3.17Å; S308-K603 WeakPolarHBondContact O-CG 3.48Å; R600-K603 VanDerWaalsContact O-CB 3.29Å; R600-K603 WeakPolarHBondContact O-CB 3.41Å; R600-K603 PolarHBondContact O-N 2.81Å; R600-K603 VanDerWaalsContact O-N 3.14Å; L601-K603 PolarHBondContact O-N 2.91Å; K603-G605 VanDerWaalsContact C-N 3.31Å
604	L	79.3	Confident	79.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-89.4	3.2	166.9	-52.9	-175.2	0	0	0	111.6	F582 V587 L601 D602 F635 Q640 M641 V642	F582-L604 HydrophobicContact CE1-CD1 3.68Å; F582-L604 HydrophobicContact CZ-CD1 4.31Å; V587-L604 HydrophobicContact CB-CD1 4.28Å; V587-L604 HydrophobicContact CG1-CD1 3.96Å; V587-L604 HydrophobicContact CG1-CD2 4.22Å; V587-L604 HydrophobicContact CG1-CG 4.15Å; V587-L604 HydrophobicContact CG2-CD1 4.35Å; L601-L604 HydrophobicContact CD2-CD1 4.11Å; L601-L604 WeakPolarHBondContact O-CA 3.27Å; L601-L604 WeakPolarHBondContact O-CB 3.38Å; L601-L604 PolarHBondContact O-N 3.17Å; D602-L604 PolarHBondContact O-N 2.64Å; L604-F635 HydrophobicContact CB-CE2 4.29Å; L604-F635 HydrophobicContact CD1-CE2 4.27Å; L604-F635 HydrophobicContact CD2-CE2 4.07Å; L604-F635 HydrophobicContact CD2-CZ 4.39Å; L604-F635 HydrophobicContact CG-CE2 4.45Å; L604-Q640 HydrophobicContact CD2-CB 4.33Å; L604-Q640 VanDerWaalsContact CD2-O 3.23Å; L604-Q640 WeakPolarHBondContact CD2-O 3.36Å; L604-M641 CarbonylContact O-C 3.58Å; L604-M641 VanDerWaalsContact O-CA 3.31Å; L604-M641 WeakPolarHBondContact O-CA 3.09Å; L604-V642 WeakPolarHBondContact O-CG2 3.45Å; L604-V642 PolarHBondContact O-N 3.4Å
605	G	77.6	Confident	80.8	Confident	26 Å²	26	42.3 Å²	42.3	27%	0.268	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	10.2	-177.4	0	0	0	0	0	114.8	L601 D602 K603 V642	L601-G605 PolarHBondContact O-N 2.56Å; D602-G605 WeakPolarHBondContact O-CA 3.39Å; D602-G605 PolarHBondContact O-N 2.92Å; K603-G605 VanDerWaalsContact C-N 3.31Å; G605-V642 VanDerWaalsContact O-CG2 3.23Å; G605-V642 WeakPolarHBondContact O-CG2 3.35Å
606	L	81.3	Confident	81.2	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.021	24%	0.242	C	C	.	.			trans	-80.4	135.4	174.8	-69.1	164.4	0	0	0	110.1	L601 D602 V610 V613 L626 W633 V642	L601-L606 HydrophobicContact CB-CB 4.17Å; L601-L606 HydrophobicContact CB-CD1 4.04Å; L601-L606 HydrophobicContact CD1-CD1 4.24Å; L601-L606 HydrophobicContact CD2-CD1 4.17Å; L601-L606 HydrophobicContact CG-CD1 4.35Å; L601-L606 WeakPolarHBondContact O-CB 3.38Å; L601-L606 PolarHBondContact O-N 3.09Å; D602-L606 WeakPolarHBondContact CA-O 3.37Å; L606-V610 HydrophobicContact CB-CB 4.25Å; L606-V610 HydrophobicContact CB-CG1 4.42Å; L606-V610 HydrophobicContact CB-CG2 4.3Å; L606-V610 HydrophobicContact CD1-CG1 4.44Å; L606-V610 HydrophobicContact CD2-CG1 4.44Å; L606-V610 HydrophobicContact CD2-CG2 4.36Å; L606-V613 HydrophobicContact CD1-CG2 3.88Å; L606-L626 HydrophobicContact CD1-CD1 4.49Å; L606-W633 HydrophobicContact CD2-CB 4.48Å; L606-W633 HydrophobicContact CD2-CD2 3.53Å; L606-W633 HydrophobicContact CD2-CE3 3.58Å; L606-W633 HydrophobicContact CD2-CG 3.95Å; L606-W633 HydrophobicContact CD2-CH2 4.44Å; L606-W633 HydrophobicContact CD2-CZ2 4.38Å; L606-W633 HydrophobicContact CD2-CZ3 4.06Å; L606-V642 HydrophobicContact CD2-CG1 3.97Å; L606-V642 HydrophobicContact CD2-CG2 4.03Å; L606-V642 HydrophobicContact CG-CG1 4.02Å; L606-V642 HydrophobicContact CG-CG2 4.14Å
607	G	75	Confident	82.4	Confident	30 Å²	30	37 Å²	37	31%	0.309	23%	0.228	S	C	.	.			trans	-63.8	161.2	-176.2	0	0	0	0	0	113.6	R585 D609 V610	R585-G607 PolarHBondContact NH2-O 2.91Å; G607-D609 WeakPolarHBondContact CA-OD1 3.42Å; G607-D609 PolarHBondContact O-N 3.45Å; G607-D609 VanDerWaalsContact O-N 3.08Å; G607-V610 PolarHBondContact O-N 3.22Å
608	A	74.9	Confident	83.2	Confident	93 Å²	93	40.5 Å²	40.5	77%	0.769	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-13.6	175.1	0	0	0	0	0	113.1	R585	R585-A608 VanDerWaalsContact NH1-C 3.3Å; R585-A608 PolarHBondContact NH1-O 2.93Å
609	D	79.1	Confident	83.4	Confident	110 Å²	110	44.4 Å²	44.4	59%	0.588	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-13.6	173.6	61	-46.1	0	0	0	114.1	G607 A611 R631	G607-D609 WeakPolarHBondContact CA-OD1 3.42Å; G607-D609 PolarHBondContact O-N 3.45Å; G607-D609 VanDerWaalsContact O-N 3.08Å; D609-A611 PolarHBondContact O-N 3.26Å; D609-R631 IonicContact OD2-NH1 3.8Å; D609-R631 PolarHBondContact OD2-NH1 2.98Å
610	V	85.3	Confident	83.3	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.018	25%	0.251	C	S	.	.			trans	-89.3	100	-177.2	-176.7	0	0	0	0	111	R585 L601 L606 G607 W633	R585-V610 PolarHBondContact NH1-O 3.5Å; R585-V610 PolarHBondContact NH2-O 3.34Å; L601-V610 HydrophobicContact CD1-CG1 4.32Å; L606-V610 HydrophobicContact CB-CB 4.25Å; L606-V610 HydrophobicContact CB-CG1 4.42Å; L606-V610 HydrophobicContact CB-CG2 4.3Å; L606-V610 HydrophobicContact CD1-CG1 4.44Å; L606-V610 HydrophobicContact CD2-CG1 4.44Å; L606-V610 HydrophobicContact CD2-CG2 4.36Å; G607-V610 PolarHBondContact O-N 3.22Å; V610-W633 HydrophobicContact CG1-CH2 4.33Å; V610-W633 HydrophobicContact CG2-CH2 3.56Å; V610-W633 HydrophobicContact CG2-CZ2 3.64Å; V610-W633 HydrophobicContact CG2-CZ3 4.42Å
611	A	83.6	Confident	83.2	Confident	65 Å²	65	43 Å²	43	54%	0.537	26%	0.258	S	S	.	.			trans	-70.7	-35.3	-177.3	0	0	0	0	0	114	G584 R585 D609	G584-A611 CarbonylContact C-O 3.56Å; R585-A611 WeakPolarHBondContact CG-O 2.94Å; R585-A611 PolarHBondContact N-O 2.76Å; D609-A611 PolarHBondContact O-N 3.26Å
612	Q	91.6	Very high	82.9	Confident	74 Å²	74	43.8 Å²	43.8	35%	0.346	27%	0.266	S	S	.	.			trans	-157.6	165.5	-178.2	66.1	-170.3	14.7	0	0	111.9	D568 G584 T614 S628	D568-Q612 HydrophobicContact CB-CB 4.46Å; D568-Q612 WeakPolarHBondContact OD2-CB 3.44Å; G584-Q612 WeakPolarHBondContact O-CA 3.39Å; Q612-T614 HydrophobicContact CG-CG2 3.92Å; Q612-S628 WeakPolarHBondContact O-CB 2.93Å; Q612-S628 PolarHBondContact O-OG 3.49Å
613	V	95.3	Very high	83.4	Confident	1 Å²	1	46 Å²	46	1%	0.006	27%	0.273	C	S	.	.			trans	-105.5	112.2	170.1	179.4	0	0	0	0	108	D568 S569 F582 L601 L606 G615 L626 F627	D568-V613 CarbonylContact C-O 3.54Å; D568-V613 WeakPolarHBondContact CB-O 3.38Å; S569-V613 WeakPolarHBondContact CB-O 3.1Å; S569-V613 WeakPolarHBondContact OG-CG1 3.48Å; S569-V613 PolarHBondContact OG-O 2.95Å; F582-V613 HydrophobicContact CB-CB 4.08Å; F582-V613 HydrophobicContact CD1-CB 3.81Å; F582-V613 HydrophobicContact CD1-CG1 4.32Å; F582-V613 HydrophobicContact CD1-CG2 3.75Å; F582-V613 HydrophobicContact CD2-CB 4.48Å; F582-V613 HydrophobicContact CD2-CG1 4.36Å; F582-V613 HydrophobicContact CE1-CB 4.35Å; F582-V613 HydrophobicContact CE1-CG2 4.02Å; F582-V613 HydrophobicContact CG-CB 3.87Å; F582-V613 HydrophobicContact CG-CG1 4.23Å; F582-V613 HydrophobicContact CG-CG2 4.34Å; L601-V613 HydrophobicContact CD1-CG2 3.87Å; L601-V613 HydrophobicContact CD2-CG2 3.91Å; L606-V613 HydrophobicContact CD1-CG2 3.88Å; V613-G615 VanDerWaalsContact C-N 3.29Å; V613-G615 WeakPolarHBondContact CG1-O 3.01Å; V613-G615 PolarHBondContact O-N 3.33Å; V613-L626 HydrophobicContact CG1-CB 4.14Å; V613-L626 HydrophobicContact CG1-CD2 4.33Å; V613-F627 CarbonylContact C-O 3.53Å; V613-F627 VanDerWaalsContact CA-O 3.3Å; V613-F627 WeakPolarHBondContact CA-O 3.49Å; V613-F627 WeakPolarHBondContact CG1-O 3.43Å
614	T	94	Very high	84.2	Confident	4 Å²	4	42.7 Å²	42.7	3%	0.025	26%	0.259	C	S	.	.			trans	-89.2	9.9	-176.9	58.4	0	0	0	0	113.1	Q612 F627 G629 D663 V664	Q612-T614 HydrophobicContact CG-CG2 3.92Å; T614-F627 PolarHBondContact N-O 2.86Å; T614-F627 PolarHBondContact OG1-O 2.68Å; T614-G629 PolarHBondContact OG1-N 2.91Å; T614-D663 CarbonylContact O-C 3.5Å; T614-D663 VanDerWaalsContact O-C 3.31Å; T614-D663 WeakPolarHBondContact O-CA 3.36Å; T614-V664 PolarHBondContact O-N 3.44Å
615	G	93.8	Very high	84.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.4	171.4	174.3	0	0	0	0	0	114.9	S569 V613 F627 V664	S569-G615 VanDerWaalsContact CB-CA 3.44Å; V613-G615 VanDerWaalsContact C-N 3.29Å; V613-G615 WeakPolarHBondContact CG1-O 3.01Å; V613-G615 PolarHBondContact O-N 3.33Å; G615-F627 PolarHBondContact O-N 2.91Å; G615-V664 CarbonylContact C-O 3.14Å; G615-V664 WeakPolarHBondContact CA-O 3.39Å
616	A	94.1	Very high	85.8	Confident	3 Å²	3	41.7 Å²	41.7	3%	0.025	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	136.4	179.8	0	0	0	0	0	112.8	F571 M624 L625 L626 V664	F571-A616 HydrophobicContact CB-CB 4.07Å; F571-A616 HydrophobicContact CD1-CB 3.29Å; F571-A616 HydrophobicContact CE1-CB 3.92Å; F571-A616 HydrophobicContact CG-CB 3.89Å; A616-M624 HydrophobicContact CB-CE 4.31Å; A616-L625 CarbonylContact C-O 3.52Å; A616-L625 WeakPolarHBondContact CA-O 3.48Å; A616-L626 HydrophobicContact CB-CD2 3.76Å; A616-V664 PolarHBondContact N-O 3.36Å
617	L	92.8	Very high	86.4	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142.7	175.6	-62.7	179.5	0	0	0	111.2	M624 L625 F627 F654 V664 F665 Q666 A671 F673	L617-M624 CarbonylContact O-C 3.57Å; L617-M624 VanDerWaalsContact O-CA 3.32Å; L617-M624 WeakPolarHBondContact O-CA 3.44Å; L617-L625 HydrophobicContact CB-CB 4.48Å; L617-L625 PolarHBondContact N-O 3.49Å; L617-L625 PolarHBondContact O-N 2.91Å; L617-F627 HydrophobicContact CB-CE2 3.86Å; L617-F627 HydrophobicContact CB-CZ 4.45Å; L617-F627 HydrophobicContact CD1-CE2 3.68Å; L617-F627 HydrophobicContact CD1-CZ 3.59Å; L617-F627 HydrophobicContact CG-CD2 4.42Å; L617-F627 HydrophobicContact CG-CE2 3.57Å; L617-F627 HydrophobicContact CG-CZ 4.04Å; L617-F654 HydrophobicContact CD1-CE1 4Å; L617-F654 HydrophobicContact CD1-CZ 3.85Å; L617-V664 HydrophobicContact CD1-CG1 3.97Å; L617-V664 HydrophobicContact CD2-CG1 3.94Å; L617-V664 HydrophobicContact CG-CG1 3.83Å; L617-F665 WeakPolarHBondContact CD2-O 3.39Å; L617-Q666 HydrophobicContact CD2-CB 4.04Å; L617-A671 HydrophobicContact CD1-CB 3.55Å; L617-A671 HydrophobicContact CD2-CB 3.61Å; L617-A671 HydrophobicContact CG-CB 4.24Å; L617-F673 HydrophobicContact CD1-CE2 4.15Å; L617-F673 HydrophobicContact CD1-CZ 3.93Å
618	R	88.3	Confident	87.3	Confident	104 Å²	104	41.3 Å²	41.3	39%	0.392	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	136.1	174.9	-169.2	-178.6	172.7	-164.1	-2.5	109.9	M624	R618-M624 HydrophobicContact CB-CE 4.22Å; R618-M624 HydrophobicContact CB-SD 3.89Å; R618-M624 HydrophobicContact CG-SD 4Å
619	R	81.8	Confident	87.9	Confident	142 Å²	142	38 Å²	38	54%	0.536	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-25.9	172	-168.4	174.6	178.5	-152.7	-0.8	113.1	K623 L625	R619-K623 PolarHBondContact N-O 3.19Å; R619-L625 HydrophobicContact CB-CG 4.38Å
620	G	74.4	Confident	88.4	Confident	28 Å²	28	39.7 Å²	39.7	29%	0.289	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	-172.9	-179.6	0	0	0	0	0	112.1	G622 K623	G620-G622 PolarHBondContact O-N 2.83Å; G620-K623 PolarHBondContact N-O 2.01Å; G620-K623 PolarHBondContact O-N 3.19Å
621	A	72.4	Confident	88.7	Confident	74 Å²	74	45.3 Å²	45.3	61%	0.612	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	118.8	174.3	0	0	0	0	0	110.7	L575 K623	L575-A621 HydrophobicContact CD1-CB 3.85Å; A621-K623 PolarHBondContact O-N 3.35Å
622	G	77.3	Confident	89.2	Confident	17 Å²	17	42.4 Å²	42.4	18%	0.175	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	13.7	-179	0	0	0	0	0	115.9	G620 V637	G620-G622 PolarHBondContact O-N 2.83Å; G622-V637 PolarHBondContact O-N 3.17Å
623	K	86	Confident	89.4	Confident	103 Å²	103	39.7 Å²	39.7	45%	0.448	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.4	-179.2	-59.7	-63.4	-174.4	177.1	0	110.6	R619 G620 A621 F635 D636	R619-K623 PolarHBondContact N-O 3.19Å; G620-K623 PolarHBondContact N-O 2.01Å; G620-K623 PolarHBondContact O-N 3.19Å; A621-K623 PolarHBondContact O-N 3.35Å; K623-F635 WeakPolarHBondContact CA-O 3.11Å; K623-D636 IonicContact NZ-OD2 3.81Å; K623-D636 PolarHBondContact NZ-OD2 3.16Å
624	M	91.3	Very high	89.3	Confident	9 Å²	9	45.3 Å²	45.3	4%	0.044	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	161.7	177.2	-54.9	-62.2	-75.8	0	0	110.5	F571 A616 L617 R618 F635 V637	F571-M624 HydrophobicContact CB-CE 4.1Å; F571-M624 HydrophobicContact CD1-CE 4.46Å; F571-M624 HydrophobicContact CD2-CE 3.55Å; F571-M624 HydrophobicContact CD2-CG 4.29Å; F571-M624 HydrophobicContact CD2-SD 4.4Å; F571-M624 HydrophobicContact CE2-CE 4.02Å; F571-M624 HydrophobicContact CE2-CG 3.77Å; F571-M624 HydrophobicContact CE2-SD 4.4Å; F571-M624 HydrophobicContact CG-CE 3.79Å; F571-M624 HydrophobicContact CZ-CG 4.04Å; A616-M624 HydrophobicContact CB-CE 4.31Å; L617-M624 CarbonylContact O-C 3.57Å; L617-M624 VanDerWaalsContact O-CA 3.32Å; L617-M624 WeakPolarHBondContact O-CA 3.44Å; R618-M624 HydrophobicContact CB-CE 4.22Å; R618-M624 HydrophobicContact CB-SD 3.89Å; R618-M624 HydrophobicContact CG-SD 4Å; M624-F635 HydrophobicContact CB-CB 4.25Å; M624-F635 HydrophobicContact CB-CD1 4.08Å; M624-F635 HydrophobicContact CG-CD1 4.34Å; M624-F635 PolarHBondContact N-O 3.27Å; M624-F635 PolarHBondContact O-N 2.67Å; M624-V637 HydrophobicContact CG-CG2 3.57Å
625	L	93.9	Very high	89.2	Confident	5 Å²	5	45.2 Å²	45.2	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.6	163.6	-59.6	179.5	0	0	0	106.7	A616 L617 R619 F627 F632 W633 R634 M653 F654	A616-L625 CarbonylContact C-O 3.52Å; A616-L625 WeakPolarHBondContact CA-O 3.48Å; L617-L625 HydrophobicContact CB-CB 4.48Å; L617-L625 PolarHBondContact N-O 3.49Å; L617-L625 PolarHBondContact O-N 2.91Å; R619-L625 HydrophobicContact CB-CG 4.38Å; L625-F627 HydrophobicContact CB-CE2 3.65Å; L625-F627 HydrophobicContact CB-CZ 4.08Å; L625-F627 HydrophobicContact CD1-CZ 4.37Å; L625-F632 HydrophobicContact CB-CD2 4.26Å; L625-F632 HydrophobicContact CD1-CD2 4.23Å; L625-F632 HydrophobicContact CD1-CE2 4.13Å; L625-F632 HydrophobicContact CD2-CD2 3.99Å; L625-F632 HydrophobicContact CD2-CE2 4.04Å; L625-F632 HydrophobicContact CG-CD2 4.38Å; L625-W633 CarbonylContact C-O 3.53Å; L625-W633 VanDerWaalsContact CA-O 3.26Å; L625-W633 WeakPolarHBondContact CA-O 3.21Å; L625-R634 HydrophobicContact CD2-CG 3.91Å; L625-M653 HydrophobicContact CD1-CE 4.23Å; L625-M653 HydrophobicContact CD1-SD 4.3Å; L625-F654 HydrophobicContact CD1-CE2 4.45Å; L625-F654 HydrophobicContact CD1-CZ 4.24Å
626	L	94.9	Very high	88.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.1	173.7	-60.3	-177.6	0	0	0	109.1	F571 F582 L606 V613 A616 F632 W633 F635 V642	F571-L626 HydrophobicContact CD1-CD2 4.42Å; F571-L626 HydrophobicContact CE1-CD2 3.72Å; F571-L626 HydrophobicContact CZ-CD2 4.47Å; F582-L626 HydrophobicContact CZ-CD1 4.39Å; F582-L626 HydrophobicContact CZ-CD2 4.23Å; L606-L626 HydrophobicContact CD1-CD1 4.49Å; V613-L626 HydrophobicContact CG1-CB 4.14Å; V613-L626 HydrophobicContact CG1-CD2 4.33Å; A616-L626 HydrophobicContact CB-CD2 3.76Å; L626-F632 CarbonylContact O-C 3.52Å; L626-F632 WeakPolarHBondContact O-CA 3.38Å; L626-F632 VanDerWaalsContact O-CB 3.24Å; L626-F632 WeakPolarHBondContact O-CB 3.39Å; L626-W633 PolarHBondContact N-O 3.22Å; L626-W633 PolarHBondContact O-N 2.02Å; L626-F635 HydrophobicContact CD1-CB 3.88Å; L626-F635 HydrophobicContact CD1-CD1 4.38Å; L626-F635 HydrophobicContact CD1-CD2 3.71Å; L626-F635 HydrophobicContact CD1-CE2 4.29Å; L626-F635 HydrophobicContact CD1-CG 3.74Å; L626-F635 HydrophobicContact CD2-CB 4.47Å; L626-F635 HydrophobicContact CG-CB 3.72Å; L626-F635 HydrophobicContact CG-CD2 4.47Å; L626-F635 HydrophobicContact CG-CG 4.02Å; L626-V642 HydrophobicContact CD1-CG1 3.94Å
627	F	94.9	Very high	88.5	Confident	1 Å²	1	47.5 Å²	47.5	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	142.4	-175.9	-67.2	-100.2	0	0	0	110.4	V613 T614 G615 L617 L625 F632 V650 F654 V664 F673	V613-F627 CarbonylContact C-O 3.53Å; V613-F627 VanDerWaalsContact CA-O 3.3Å; V613-F627 WeakPolarHBondContact CA-O 3.49Å; V613-F627 WeakPolarHBondContact CG1-O 3.43Å; T614-F627 PolarHBondContact N-O 2.86Å; T614-F627 PolarHBondContact OG1-O 2.68Å; G615-F627 PolarHBondContact O-N 2.91Å; L617-F627 HydrophobicContact CB-CE2 3.86Å; L617-F627 HydrophobicContact CB-CZ 4.45Å; L617-F627 HydrophobicContact CD1-CE2 3.68Å; L617-F627 HydrophobicContact CD1-CZ 3.59Å; L617-F627 HydrophobicContact CG-CD2 4.42Å; L617-F627 HydrophobicContact CG-CE2 3.57Å; L617-F627 HydrophobicContact CG-CZ 4.04Å; L625-F627 HydrophobicContact CB-CE2 3.65Å; L625-F627 HydrophobicContact CB-CZ 4.08Å; L625-F627 HydrophobicContact CD1-CZ 4.37Å; F627-F632 HydrophobicContact CD1-CB 3.66Å; F627-F632 HydrophobicContact CD1-CG 4.36Å; F627-F632 HydrophobicContact CD2-CB 4.44Å; F627-F632 HydrophobicContact CE1-CB 3.75Å; F627-F632 HydrophobicContact CE1-CD1 4.08Å; F627-F632 AromaticContact CE1-CG 3.98Å; F627-F632 HydrophobicContact CE1-CG 3.98Å; F627-F632 HydrophobicContact CG-CB 4.01Å; F627-F632 HydrophobicContact CZ-CB 4.16Å; F627-F632 HydrophobicContact CZ-CG 4.29Å; F627-V650 HydrophobicContact CD1-CG2 3.78Å; F627-V650 HydrophobicContact CE1-CG2 4.06Å; F627-F654 HydrophobicContact CE1-CD2 4.11Å; F627-F654 AromaticContact CE1-CE2 3.81Å; F627-F654 HydrophobicContact CE1-CE2 3.81Å; F627-F654 HydrophobicContact CZ-CD2 4.37Å; F627-F654 AromaticContact CZ-CE2 3.65Å; F627-F654 HydrophobicContact CZ-CE2 3.65Å; F627-F654 HydrophobicContact CZ-CZ 4.04Å; F627-V664 HydrophobicContact CB-CG2 4.41Å; F627-V664 HydrophobicContact CD2-CB 4.43Å; F627-V664 HydrophobicContact CD2-CG1 4.15Å; F627-V664 HydrophobicContact CE2-CG1 4.29Å; F627-V664 HydrophobicContact CG-CB 4.39Å; F627-V664 HydrophobicContact CG-CG1 4.34Å; F627-V664 HydrophobicContact CG-CG2 4.41Å; F627-F673 HydrophobicContact CD1-CE1 4.21Å; F627-F673 AromaticContact CE1-CE1 3.94Å; F627-F673 HydrophobicContact CE1-CE1 3.94Å; F627-F673 HydrophobicContact CE1-CZ 4.08Å; F627-F673 HydrophobicContact CZ-CZ 4.35Å
628	S	92.9	Very high	87.8	Confident	25 Å²	25	56.9 Å²	56.9	18%	0.175	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	97.3	168.4	174	0	0	0	0	108	Q612 R630 R631	Q612-S628 WeakPolarHBondContact O-CB 2.93Å; Q612-S628 PolarHBondContact O-OG 3.49Å; S628-R630 PolarHBondContact O-N 3.15Å; S628-R630 VanDerWaalsContact O-N 3.12Å; S628-R631 PolarHBondContact N-O 3.45Å; S628-R631 PolarHBondContact O-N 3.29Å
629	G	87.6	Confident	87.3	Confident	24 Å²	24	54.4 Å²	54.4	25%	0.247	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	-116.4	-176.8	0	0	0	0	0	111.6	T614 R631 L659	T614-G629 PolarHBondContact OG1-N 2.91Å; G629-R631 VanDerWaalsContact C-N 3.3Å; G629-R631 PolarHBondContact O-N 3.31Å; G629-L659 CarbonylContact C-O 3.11Å
630	R	89.8	Confident	87.3	Confident	146 Å²	146	48.3 Å²	48.3	55%	0.551	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-7.2	-174.8	-52.2	-174	68.3	119.1	-5.5	114.7	S628 E649 V650 L659	S628-R630 PolarHBondContact O-N 3.15Å; S628-R630 VanDerWaalsContact O-N 3.12Å; R630-E649 WeakPolarHBondContact O-CA 3.46Å; R630-V650 PolarHBondContact O-N 2.66Å; R630-L659 HydrophobicContact CG-CB 4.23Å
631	R	92.6	Very high	87.7	Confident	121 Å²	121	51.8 Å²	51.8	46%	0.457	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	153.4	-174.2	-69.7	-177.1	177.7	163.6	0.2	111.7	D609 S628 G629 W633 S648	D609-R631 IonicContact OD2-NH1 3.8Å; D609-R631 PolarHBondContact OD2-NH1 2.98Å; S628-R631 PolarHBondContact N-O 3.45Å; S628-R631 PolarHBondContact O-N 3.29Å; G629-R631 VanDerWaalsContact C-N 3.3Å; G629-R631 PolarHBondContact O-N 3.31Å; R631-W633 HydrophobicContact CB-CH2 3.67Å; R631-W633 HydrophobicContact CB-CZ2 4.04Å; R631-W633 HydrophobicContact CB-CZ3 4.12Å; R631-S648 CarbonylContact C-O 3.47Å; R631-S648 VanDerWaalsContact CA-O 3.31Å; R631-S648 WeakPolarHBondContact CA-O 3.47Å
632	F	94	Very high	88.4	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	158.2	168.1	71.1	-88.7	0	0	0	111.9	L625 L626 F627 A647 S648 E649 V650 M653 F654	L625-F632 HydrophobicContact CB-CD2 4.26Å; L625-F632 HydrophobicContact CD1-CD2 4.23Å; L625-F632 HydrophobicContact CD1-CE2 4.13Å; L625-F632 HydrophobicContact CD2-CD2 3.99Å; L625-F632 HydrophobicContact CD2-CE2 4.04Å; L625-F632 HydrophobicContact CG-CD2 4.38Å; L626-F632 CarbonylContact O-C 3.52Å; L626-F632 WeakPolarHBondContact O-CA 3.38Å; L626-F632 VanDerWaalsContact O-CB 3.24Å; L626-F632 WeakPolarHBondContact O-CB 3.39Å; F627-F632 HydrophobicContact CD1-CB 3.66Å; F627-F632 HydrophobicContact CD1-CG 4.36Å; F627-F632 HydrophobicContact CD2-CB 4.44Å; F627-F632 HydrophobicContact CE1-CB 3.75Å; F627-F632 HydrophobicContact CE1-CD1 4.08Å; F627-F632 AromaticContact CE1-CG 3.98Å; F627-F632 HydrophobicContact CE1-CG 3.98Å; F627-F632 HydrophobicContact CG-CB 4.01Å; F627-F632 HydrophobicContact CZ-CB 4.16Å; F627-F632 HydrophobicContact CZ-CG 4.29Å; F632-A647 WeakPolarHBondContact O-CA 3.35Å; F632-S648 WeakPolarHBondContact CD1-O 3.34Å; F632-S648 PolarHBondContact N-O 2.85Å; F632-S648 PolarHBondContact O-N 2.7Å; F632-E649 WeakPolarHBondContact CE1-O 3.32Å; F632-V650 HydrophobicContact CD1-CG2 3.93Å; F632-M653 HydrophobicContact CE1-CB 3.83Å; F632-M653 HydrophobicContact CE1-SD 4.39Å; F632-M653 HydrophobicContact CE2-SD 3.8Å; F632-M653 HydrophobicContact CZ-CB 3.7Å; F632-M653 HydrophobicContact CZ-CG 4.11Å; F632-M653 HydrophobicContact CZ-SD 3.41Å; F632-M653 WeakPolarHBondContact CZ-SD 3.43Å; F632-F654 HydrophobicContact CE1-CE2 4.44Å
633	W	94.8	Very high	88.8	Confident	17 Å²	17	51.2 Å²	51.2	6%	0.064	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	151.5	-180	-58.8	-103.4	0	0	0	111.1	L606 V610 L625 L626 R631 V642	L606-W633 HydrophobicContact CD2-CB 4.48Å; L606-W633 HydrophobicContact CD2-CD2 3.53Å; L606-W633 HydrophobicContact CD2-CE3 3.58Å; L606-W633 HydrophobicContact CD2-CG 3.95Å; L606-W633 HydrophobicContact CD2-CH2 4.44Å; L606-W633 HydrophobicContact CD2-CZ2 4.38Å; L606-W633 HydrophobicContact CD2-CZ3 4.06Å; V610-W633 HydrophobicContact CG1-CH2 4.33Å; V610-W633 HydrophobicContact CG2-CH2 3.56Å; V610-W633 HydrophobicContact CG2-CZ2 3.64Å; V610-W633 HydrophobicContact CG2-CZ3 4.42Å; L625-W633 CarbonylContact C-O 3.53Å; L625-W633 VanDerWaalsContact CA-O 3.26Å; L625-W633 WeakPolarHBondContact CA-O 3.21Å; L626-W633 PolarHBondContact N-O 3.22Å; L626-W633 PolarHBondContact O-N 2.02Å; R631-W633 HydrophobicContact CB-CH2 3.67Å; R631-W633 HydrophobicContact CB-CZ2 4.04Å; R631-W633 HydrophobicContact CB-CZ3 4.12Å; W633-V642 HydrophobicContact CB-CB 3.87Å; W633-V642 HydrophobicContact CB-CG1 4.04Å; W633-V642 HydrophobicContact CB-CG2 4.34Å; W633-V642 HydrophobicContact CG-CB 4.49Å; W633-V642 HydrophobicContact CG-CG2 4.45Å
634	R	93.6	Very high	88.3	Confident	119 Å²	119	50.4 Å²	50.4	45%	0.449	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	120.5	170.7	-62.2	174.4	-173.5	169.6	0.2	109.1	L625 V642 D643 S646	L625-R634 HydrophobicContact CD2-CG 3.91Å; R634-V642 CarbonylContact O-C 3.43Å; R634-V642 WeakPolarHBondContact O-CA 3.49Å; R634-D643 PolarHBondContact O-N 3.1Å; R634-S646 WeakPolarHBondContact CB-OG 3.47Å; R634-S646 PolarHBondContact N-OG 2.95Å
635	F	92.4	Very high	87.7	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.009	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.4	179.5	-179.5	-109.1	0	0	0	111.4	F571 F580 L604 K623 M624 L626 V637 Q640 M641 V642	F571-F635 HydrophobicContact CZ-CD1 4.17Å; F571-F635 AromaticContact CZ-CE1 3.9Å; F571-F635 HydrophobicContact CZ-CE1 3.9Å; F580-F635 HydrophobicContact CE1-CE1 4.14Å; F580-F635 AromaticContact CE1-CZ 3.95Å; F580-F635 HydrophobicContact CE1-CZ 3.95Å; F580-F635 HydrophobicContact CZ-CE1 4.32Å; F580-F635 HydrophobicContact CZ-CZ 4.44Å; L604-F635 HydrophobicContact CB-CE2 4.29Å; L604-F635 HydrophobicContact CD1-CE2 4.27Å; L604-F635 HydrophobicContact CD2-CE2 4.07Å; L604-F635 HydrophobicContact CD2-CZ 4.39Å; L604-F635 HydrophobicContact CG-CE2 4.45Å; K623-F635 WeakPolarHBondContact CA-O 3.11Å; M624-F635 HydrophobicContact CB-CB 4.25Å; M624-F635 HydrophobicContact CB-CD1 4.08Å; M624-F635 HydrophobicContact CG-CD1 4.34Å; M624-F635 PolarHBondContact N-O 3.27Å; M624-F635 PolarHBondContact O-N 2.67Å; L626-F635 HydrophobicContact CD1-CB 3.88Å; L626-F635 HydrophobicContact CD1-CD1 4.38Å; L626-F635 HydrophobicContact CD1-CD2 3.71Å; L626-F635 HydrophobicContact CD1-CE2 4.29Å; L626-F635 HydrophobicContact CD1-CG 3.74Å; L626-F635 HydrophobicContact CD2-CB 4.47Å; L626-F635 HydrophobicContact CG-CB 3.72Å; L626-F635 HydrophobicContact CG-CD2 4.47Å; L626-F635 HydrophobicContact CG-CG 4.02Å; F635-V637 HydrophobicContact CD1-CG2 3.93Å; F635-V637 HydrophobicContact CE1-CB 4.32Å; F635-V637 HydrophobicContact CE1-CG2 3.91Å; F635-Q640 VanDerWaalsContact CE2-C 3.41Å; F635-Q640 HydrophobicContact CZ-CB 4.29Å; F635-M641 WeakPolarHBondContact CD2-O 3.37Å; F635-V642 HydrophobicContact CB-CG1 4.17Å; F635-V642 HydrophobicContact CD2-CG1 3.76Å; F635-V642 HydrophobicContact CG-CG1 4.45Å
636	D	87.7	Confident	87.3	Confident	45 Å²	45	61.3 Å²	61.3	24%	0.241	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.5	171.1	-174	-51	0	0	0	109.4	K623 K638 A639 Q640 M641	K623-D636 IonicContact NZ-OD2 3.81Å; K623-D636 PolarHBondContact NZ-OD2 3.16Å; D636-K638 VanDerWaalsContact C-N 3.32Å; D636-K638 PolarHBondContact O-N 3.06Å; D636-K638 WeakPolarHBondContact OD1-CA 3.5Å; D636-K638 WeakPolarHBondContact OD1-CB 3.33Å; D636-K638 PolarHBondContact OD1-N 3.01Å; D636-A639 HydrophobicContact CB-CB 4.05Å; D636-A639 PolarHBondContact OD1-N 3.15Å; D636-Q640 VanDerWaalsContact O-CA 3.25Å; D636-Q640 WeakPolarHBondContact O-CA 3.19Å; D636-Q640 PolarHBondContact O-N 3.26Å; D636-M641 PolarHBondContact N-O 3.25Å; D636-M641 PolarHBondContact O-N 2.78Å
637	V	84.8	Confident	87	Confident	6 Å²	6	63.7 Å²	63.7	4%	0.036	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-28.8	-175.2	-175.3	0	0	0	0	112.2	F571 E573 F580 G622 M624 F635 Q640	F571-V637 HydrophobicContact CE2-CG2 4.46Å; E573-V637 HydrophobicContact CB-CG1 3.94Å; E573-V637 HydrophobicContact CG-CB 4.13Å; E573-V637 HydrophobicContact CG-CG1 3.81Å; E573-V637 HydrophobicContact CG-CG2 3.96Å; F580-V637 HydrophobicContact CE2-CG1 3.65Å; F580-V637 HydrophobicContact CZ-CG1 3.75Å; G622-V637 PolarHBondContact O-N 3.17Å; M624-V637 HydrophobicContact CG-CG2 3.57Å; F635-V637 HydrophobicContact CD1-CG2 3.93Å; F635-V637 HydrophobicContact CE1-CB 4.32Å; F635-V637 HydrophobicContact CE1-CG2 3.91Å; V637-Q640 WeakPolarHBondContact O-CG 3.27Å
638	K	79.4	Confident	86.8	Confident	202 Å²	202	65.5 Å²	65.5	88%	0.878	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-43.4	179	-175.1	-177.4	178.2	-175.2	0	110.6	D636 Q640	D636-K638 VanDerWaalsContact C-N 3.32Å; D636-K638 PolarHBondContact O-N 3.06Å; D636-K638 WeakPolarHBondContact OD1-CA 3.5Å; D636-K638 WeakPolarHBondContact OD1-CB 3.33Å; D636-K638 PolarHBondContact OD1-N 3.01Å; K638-Q640 VanDerWaalsContact C-N 3.31Å
639	A	77.8	Confident	86.7	Confident	52 Å²	52	67.8 Å²	67.8	43%	0.43	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-19.9	174.9	0	0	0	0	0	112.6	D636 M641	D636-A639 HydrophobicContact CB-CB 4.05Å; D636-A639 PolarHBondContact OD1-N 3.15Å; A639-M641 PolarHBondContact O-N 2.8Å
640	Q	82.1	Confident	86.9	Confident	15 Å²	15	66.7 Å²	66.7	7%	0.07	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	43.3	-168.6	-63.2	-172.4	-22.7	0	0	112.5	F580 L604 F635 D636 V637 K638	F580-Q640 HydrophobicContact CE1-CG 4.26Å; F580-Q640 HydrophobicContact CZ-CG 4.22Å; L604-Q640 HydrophobicContact CD2-CB 4.33Å; L604-Q640 VanDerWaalsContact CD2-O 3.23Å; L604-Q640 WeakPolarHBondContact CD2-O 3.36Å; F635-Q640 VanDerWaalsContact CE2-C 3.41Å; F635-Q640 HydrophobicContact CZ-CB 4.29Å; D636-Q640 VanDerWaalsContact O-CA 3.25Å; D636-Q640 WeakPolarHBondContact O-CA 3.19Å; D636-Q640 PolarHBondContact O-N 3.26Å; V637-Q640 WeakPolarHBondContact O-CG 3.27Å; K638-Q640 VanDerWaalsContact C-N 3.31Å
641	M	81.1	Confident	86.7	Confident	101 Å²	101	62.9 Å²	62.9	50%	0.498	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148.7	176.7	-61.1	-163.1	-38	0	0	111.4	L604 F635 D636 A639	L604-M641 CarbonylContact O-C 3.58Å; L604-M641 VanDerWaalsContact O-CA 3.31Å; L604-M641 WeakPolarHBondContact O-CA 3.09Å; F635-M641 WeakPolarHBondContact CD2-O 3.37Å; D636-M641 PolarHBondContact N-O 3.25Å; D636-M641 PolarHBondContact O-N 2.78Å; A639-M641 PolarHBondContact O-N 2.8Å
642	V	88.3	Confident	86.4	Confident	6 Å²	6	66.5 Å²	66.5	4%	0.036	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	151.3	165.7	-52	0	0	0	0	109.8	L604 G605 L606 L626 W633 R634 F635 P644	L604-V642 WeakPolarHBondContact O-CG2 3.45Å; L604-V642 PolarHBondContact O-N 3.4Å; G605-V642 VanDerWaalsContact O-CG2 3.23Å; G605-V642 WeakPolarHBondContact O-CG2 3.35Å; L606-V642 HydrophobicContact CD2-CG1 3.97Å; L606-V642 HydrophobicContact CD2-CG2 4.03Å; L606-V642 HydrophobicContact CG-CG1 4.02Å; L606-V642 HydrophobicContact CG-CG2 4.14Å; L626-V642 HydrophobicContact CD1-CG1 3.94Å; W633-V642 HydrophobicContact CB-CB 3.87Å; W633-V642 HydrophobicContact CB-CG1 4.04Å; W633-V642 HydrophobicContact CB-CG2 4.34Å; W633-V642 HydrophobicContact CG-CB 4.49Å; W633-V642 HydrophobicContact CG-CG2 4.45Å; R634-V642 CarbonylContact O-C 3.43Å; R634-V642 WeakPolarHBondContact O-CA 3.49Å; F635-V642 HydrophobicContact CB-CG1 4.17Å; F635-V642 HydrophobicContact CD2-CG1 3.76Å; F635-V642 HydrophobicContact CG-CG1 4.45Å; V642-P644 VanDerWaalsContact O-CD 3.28Å; V642-P644 WeakPolarHBondContact O-CD 3.46Å
643	D	85.6	Confident	86	Confident	73 Å²	73	69.2 Å²	69.2	39%	0.39	34%	0.335	S	S	.	.			trans	-82.4	109.2	163.4	173.3	5.4	0	0	0	108.4	R634 R645 S646	R634-D643 PolarHBondContact O-N 3.1Å; D643-R645 PolarHBondContact O-N 3.4Å; D643-R645 VanDerWaalsContact O-N 3.16Å; D643-R645 WeakPolarHBondContact OD1-CB 3.34Å; D643-R645 PolarHBondContact OD1-N 2.92Å; D643-S646 VanDerWaalsContact O-CB 3.29Å; D643-S646 WeakPolarHBondContact O-CB 3.34Å; D643-S646 PolarHBondContact O-N 3.04Å; D643-S646 PolarHBondContact O-OG 3.12Å
644	P	74.5	Confident	85.7	Confident	86 Å²	86	68.9 Å²	68.9	56%	0.558	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-62	-26.9	-176.8	-22.2	34.7	0	0	0	112.7	V642 S646	V642-P644 VanDerWaalsContact O-CD 3.28Å; V642-P644 WeakPolarHBondContact O-CD 3.46Å; P644-S646 PolarHBondContact O-N 3.02Å
645	R	79	Confident	85.3	Confident	237 Å²	237	66.5 Å²	66.5	89%	0.894	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-76.8	-8.7	177.4	-61.1	-177.9	177.3	-179.8	0.1	112.8	D643 A647	D643-R645 PolarHBondContact O-N 3.4Å; D643-R645 VanDerWaalsContact O-N 3.16Å; D643-R645 WeakPolarHBondContact OD1-CB 3.34Å; D643-R645 PolarHBondContact OD1-N 2.92Å; R645-A647 VanDerWaalsContact C-N 3.34Å
646	S	84.8	Confident	84.8	Confident	6 Å²	6	69.4 Å²	69.4	4%	0.042	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-88.1	-0.7	178.7	76.2	0	0	0	0	114.2	R634 D643 P644 S648	R634-S646 WeakPolarHBondContact CB-OG 3.47Å; R634-S646 PolarHBondContact N-OG 2.95Å; D643-S646 VanDerWaalsContact O-CB 3.29Å; D643-S646 WeakPolarHBondContact O-CB 3.34Å; D643-S646 PolarHBondContact O-N 3.04Å; D643-S646 PolarHBondContact O-OG 3.12Å; P644-S646 PolarHBondContact O-N 3.02Å; S646-S648 PolarHBondContact O-N 2.92Å; S646-S648 VanDerWaalsContact O-N 3.08Å; S646-S648 PolarHBondContact O-OG 2.9Å
647	A	89.3	Confident	84.9	Confident	49 Å²	49	67.8 Å²	67.8	41%	0.405	36%	0.355	S	S	.	.			trans	-50	116.4	177.2	0	0	0	0	0	110.4	F632 R645	F632-A647 WeakPolarHBondContact O-CA 3.35Å; R645-A647 VanDerWaalsContact C-N 3.34Å
648	S	90.8	Very high	84.8	Confident	40 Å²	40	68.2 Å²	68.2	28%	0.28	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	150.8	-174.8	-61.4	0	0	0	0	110	R631 F632 S646	R631-S648 CarbonylContact C-O 3.47Å; R631-S648 VanDerWaalsContact CA-O 3.31Å; R631-S648 WeakPolarHBondContact CA-O 3.47Å; F632-S648 WeakPolarHBondContact CD1-O 3.34Å; F632-S648 PolarHBondContact N-O 2.85Å; F632-S648 PolarHBondContact O-N 2.7Å; S646-S648 PolarHBondContact O-N 2.92Å; S646-S648 VanDerWaalsContact O-N 3.08Å; S646-S648 PolarHBondContact O-OG 2.9Å
649	E	91.4	Very high	84.9	Confident	73 Å²	73	60.5 Å²	60.5	34%	0.341	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	137.1	176.9	-59.4	-178.7	130.1	0	0	110.5	R630 F632 D651 R652	R630-E649 WeakPolarHBondContact O-CA 3.46Å; F632-E649 WeakPolarHBondContact CE1-O 3.32Å; E649-D651 VanDerWaalsContact C-N 3.34Å; E649-D651 WeakPolarHBondContact CB-OD1 3.46Å; E649-D651 PolarHBondContact O-N 3.07Å; E649-R652 HydrophobicContact CB-CG 4.2Å; E649-R652 PolarHBondContact O-N 2.99Å; E649-R652 IonicContact OE2-CZ 3.18Å; E649-R652 VanDerWaalsContact OE2-CZ 3.23Å; E649-R652 IonicContact OE2-NE 3.25Å; E649-R652 PolarHBondContact OE2-NE 3.44Å; E649-R652 IonicContact OE2-NH2 2.8Å; E649-R652 PolarHBondContact OE2-NH2 3.35Å
650	V	90.4	Very high	85.1	Confident	1 Å²	1	63 Å²	63	1%	0.006	33%	0.333	C	S	.	.	H	α-helix	trans	-60.7	-43.2	-176.1	172.9	0	0	0	0	111.3	F627 R630 F632 R652 M653 F654 V657 L659 F673	F627-V650 HydrophobicContact CD1-CG2 3.78Å; F627-V650 HydrophobicContact CE1-CG2 4.06Å; R630-V650 PolarHBondContact O-N 2.66Å; F632-V650 HydrophobicContact CD1-CG2 3.93Å; V650-R652 PolarHBondContact O-N 3.04Å; V650-M653 PolarHBondContact O-N 3.36Å; V650-M653 VanDerWaalsContact O-N 3.13Å; V650-F654 HydrophobicContact CG1-CB 4.23Å; V650-F654 HydrophobicContact CG1-CD2 4.33Å; V650-F654 WeakPolarHBondContact O-CA 3.44Å; V650-F654 PolarHBondContact O-N 2.84Å; V650-V657 HydrophobicContact CG1-CG2 3.68Å; V650-L659 HydrophobicContact CB-CD2 4.15Å; V650-L659 HydrophobicContact CG1-CD2 4.27Å; V650-F673 HydrophobicContact CG1-CE1 4.08Å
651	D	86.9	Confident	85.3	Confident	65 Å²	65	62.6 Å²	62.6	35%	0.348	33%	0.331	S	S	.	.	H	α-helix	trans	-58.7	-30.7	-179.9	58.7	-7.5	0	0	0	114.1	E649 L659	E649-D651 VanDerWaalsContact C-N 3.34Å; E649-D651 WeakPolarHBondContact CB-OD1 3.46Å; E649-D651 PolarHBondContact O-N 3.07Å; D651-L659 HydrophobicContact CB-CD2 4.12Å
652	R	86.3	Confident	85.7	Confident	197 Å²	197	60.1 Å²	60.1	74%	0.743	32%	0.318	S	S	*	.	H	α-helix	trans	-70.5	-35.4	177.9	-66	-174.6	-168.3	-161.7	2.3	112.9	E649 V650	E649-R652 HydrophobicContact CB-CG 4.2Å; E649-R652 PolarHBondContact O-N 2.99Å; E649-R652 IonicContact OE2-CZ 3.18Å; E649-R652 VanDerWaalsContact OE2-CZ 3.23Å; E649-R652 IonicContact OE2-NE 3.25Å; E649-R652 PolarHBondContact OE2-NE 3.44Å; E649-R652 IonicContact OE2-NH2 2.8Å; E649-R652 PolarHBondContact OE2-NH2 3.35Å; V650-R652 PolarHBondContact O-N 3.04Å
653	M	85.8	Confident	85.9	Confident	62 Å²	62	59.9 Å²	59.9	31%	0.305	32%	0.317	S	S	.	.	H	α-helix	trans	-101.8	-24.5	-175.9	-172.3	164.6	-179.4	0	0	112.7	L625 F632 V650 N689	L625-M653 HydrophobicContact CD1-CE 4.23Å; L625-M653 HydrophobicContact CD1-SD 4.3Å; F632-M653 HydrophobicContact CE1-CB 3.83Å; F632-M653 HydrophobicContact CE1-SD 4.39Å; F632-M653 HydrophobicContact CE2-SD 3.8Å; F632-M653 HydrophobicContact CZ-CB 3.7Å; F632-M653 HydrophobicContact CZ-CG 4.11Å; F632-M653 HydrophobicContact CZ-SD 3.41Å; F632-M653 WeakPolarHBondContact CZ-SD 3.43Å; V650-M653 PolarHBondContact O-N 3.36Å; V650-M653 VanDerWaalsContact O-N 3.13Å; M653-N689 WeakPolarHBondContact O-CB 3.37Å; M653-N689 PolarHBondContact O-ND2 3.4Å
654	F	88.6	Confident	86.4	Confident	9 Å²	9	56.5 Å²	56.5	4%	0.039	30%	0.299	C	S	.	.	S	Bend	trans	-131.1	68.5	-178.5	-57.8	-84.1	0	0	0	109.1	L617 L625 F627 F632 V650 G656 V657 F673 V682 N689	L617-F654 HydrophobicContact CD1-CE1 4Å; L617-F654 HydrophobicContact CD1-CZ 3.85Å; L625-F654 HydrophobicContact CD1-CE2 4.45Å; L625-F654 HydrophobicContact CD1-CZ 4.24Å; F627-F654 HydrophobicContact CE1-CD2 4.11Å; F627-F654 AromaticContact CE1-CE2 3.81Å; F627-F654 HydrophobicContact CE1-CE2 3.81Å; F627-F654 HydrophobicContact CZ-CD2 4.37Å; F627-F654 AromaticContact CZ-CE2 3.65Å; F627-F654 HydrophobicContact CZ-CE2 3.65Å; F627-F654 HydrophobicContact CZ-CZ 4.04Å; F632-F654 HydrophobicContact CE1-CE2 4.44Å; V650-F654 HydrophobicContact CG1-CB 4.23Å; V650-F654 HydrophobicContact CG1-CD2 4.33Å; V650-F654 WeakPolarHBondContact O-CA 3.44Å; V650-F654 PolarHBondContact O-N 2.84Å; F654-G656 PolarHBondContact O-N 2.84Å; F654-V657 HydrophobicContact CB-CG1 4.17Å; F654-V657 HydrophobicContact CB-CG2 3.9Å; F654-V657 WeakPolarHBondContact O-CG2 3.44Å; F654-F673 HydrophobicContact CB-CE2 4.46Å; F654-F673 HydrophobicContact CB-CZ 4.07Å; F654-F673 AromaticContact CD1-CE2 3.86Å; F654-F673 HydrophobicContact CD1-CE2 3.86Å; F654-F673 AromaticContact CD1-CZ 3.74Å; F654-F673 HydrophobicContact CD1-CZ 3.74Å; F654-F673 AromaticContact CD2-CZ 4Å; F654-F673 HydrophobicContact CD2-CZ 4Å; F654-F673 HydrophobicContact CE1-CE2 4.33Å; F654-F673 HydrophobicContact CE1-CZ 4.15Å; F654-F673 HydrophobicContact CE2-CZ 4.39Å; F654-F673 HydrophobicContact CG-CE2 4.17Å; F654-F673 AromaticContact CG-CZ 3.66Å; F654-F673 HydrophobicContact CG-CZ 3.66Å; F654-F673 HydrophobicContact CZ-CZ 4.47Å; F654-V682 HydrophobicContact CD1-CG1 4.13Å; F654-N689 HydrophobicContact CD1-CB 4.01Å; F654-N689 HydrophobicContact CE1-CB 4.39Å; F654-N689 VanDerWaalsContact CE1-ND2 3.35Å; F654-N689 WeakPolarHBondContact CE1-ND2 3.5Å
655	P	84.5	Confident	87.3	Confident	70 Å²	70	52.5 Å²	52.5	46%	0.455	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	134.6	-178.8	26.6	-34.6	0	0	0	111
656	G	81.6	Confident	87.9	Confident	62 Å²	62	43.3 Å²	43.3	64%	0.639	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.2	-0.7	175.7	0	0	0	0	0	115.9	F654	F654-G656 PolarHBondContact O-N 2.84Å
657	V	89.3	Confident	88.1	Confident	11 Å²	11	43.9 Å²	43.9	7%	0.067	24%	0.241	C	C	.	.	S	Bend	trans	-85.3	151.3	169.7	-52.3	0	0	0	0	110.9	V650 F654 F673 W680 V682 V691	V650-V657 HydrophobicContact CG1-CG2 3.68Å; F654-V657 HydrophobicContact CB-CG1 4.17Å; F654-V657 HydrophobicContact CB-CG2 3.9Å; F654-V657 WeakPolarHBondContact O-CG2 3.44Å; V657-F673 HydrophobicContact CB-CB 4.13Å; V657-F673 HydrophobicContact CB-CD1 4.12Å; V657-F673 HydrophobicContact CB-CD2 4.29Å; V657-F673 HydrophobicContact CB-CG 3.93Å; V657-F673 HydrophobicContact CG1-CB 4.31Å; V657-F673 HydrophobicContact CG1-CD1 4.42Å; V657-F673 HydrophobicContact CG1-CD2 3.74Å; V657-F673 HydrophobicContact CG1-CE2 4.12Å; V657-F673 HydrophobicContact CG1-CG 3.9Å; V657-F673 HydrophobicContact CG2-CD1 3.86Å; V657-F673 HydrophobicContact CG2-CE1 4.03Å; V657-F673 HydrophobicContact CG2-CG 4.17Å; V657-F673 HydrophobicContact CG2-CZ 4.48Å; V657-W680 HydrophobicContact CG1-CB 4.4Å; V657-V682 HydrophobicContact CG1-CG2 3.46Å; V657-V682 VanDerWaalsContact CG1-CG2 3.46Å; V657-V691 HydrophobicContact CG1-CG2 3.8Å
658	P	83.9	Confident	87.9	Confident	16 Å²	16	46 Å²	46	10%	0.104	24%	0.243	C	C	.	.			trans	-63.9	149.3	172.7	-15.8	28.1	0	0	0	112.2	T661 Q675 W680	P658-T661 HydrophobicContact CB-CG2 4.02Å; P658-T661 HydrophobicContact CG-CG2 4.41Å; P658-T661 WeakPolarHBondContact O-CG2 3.29Å; P658-Q675 HydrophobicContact CB-CB 4.1Å; P658-Q675 HydrophobicContact CB-CG 4.31Å; P658-Q675 HydrophobicContact CG-CB 4.04Å; P658-W680 HydrophobicContact CG-CD2 3.61Å; P658-W680 HydrophobicContact CG-CE3 3.54Å; P658-W680 HydrophobicContact CG-CG 4.3Å; P658-W680 HydrophobicContact CG-CH2 3.8Å; P658-W680 HydrophobicContact CG-CZ2 3.82Å; P658-W680 HydrophobicContact CG-CZ3 3.66Å
659	L	79.9	Confident	87.6	Confident	39 Å²	39	52.5 Å²	52.5	20%	0.204	27%	0.269	C	S	.	.	S	Bend	trans	-98	-12.2	-174.8	-62.9	-178.2	0	0	0	113.4	G629 R630 V650 D651	G629-L659 CarbonylContact C-O 3.11Å; R630-L659 HydrophobicContact CG-CB 4.23Å; V650-L659 HydrophobicContact CB-CD2 4.15Å; V650-L659 HydrophobicContact CG1-CD2 4.27Å; D651-L659 HydrophobicContact CB-CD2 4.12Å
660	D	82.6	Confident	87.5	Confident	105 Å²	105	52 Å²	52	56%	0.561	27%	0.266	S	S	*	.	S	Bend	trans	-104.1	37.9	174.7	61.5	-37.3	0	0	0	110.9	Q675	D660-Q675 PolarHBondContact OD1-NE2 3.26Å; D660-Q675 PolarHBondContact OD2-NE2 2.92Å
661	T	87.4	Confident	87.6	Confident	6 Å²	6	52.6 Å²	52.6	4%	0.037	27%	0.27	C	S	.	.			trans	-68.7	133.2	177.4	45.7	0	0	0	0	110.6	P658 F673 C674	P658-T661 HydrophobicContact CB-CG2 4.02Å; P658-T661 HydrophobicContact CG-CG2 4.41Å; P658-T661 WeakPolarHBondContact O-CG2 3.29Å; T661-F673 HydrophobicContact CG2-CB 3.84Å; T661-F673 HydrophobicContact CG2-CD1 4.2Å; T661-C674 CarbonylContact C-O 3.44Å; T661-C674 WeakPolarHBondContact CA-O 3.34Å; T661-C674 WeakPolarHBondContact CB-O 3.39Å
662	H	87.9	Confident	87.9	Confident	50 Å²	50	50 Å²	50	23%	0.231	26%	0.255	C	S	.	.	S	Bend	trans	-89.2	-24.5	178.5	65.4	-81.7	0	0	0	112	I520 F521 C674 D676	I520-H662 WeakPolarHBondContact CG2-NE2 2.97Å; F521-H662 PolarHBondContact O-CD2 2.89Å; H662-C674 VanDerWaalsContact CE1-C 3.49Å; H662-C674 PolarHBondContact CE1-O 2.85Å; H662-C674 PolarHBondContact N-O 2.93Å; H662-C674 PolarHBondContact ND1-O 2.91Å; H662-D676 PolarHBondContact CE1-O 3.03Å
663	D	93.1	Very high	88.3	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	141.9	176.5	-172.4	26.5	0	0	0	111	I524 T614 F665 C674	I524-D663 WeakPolarHBondContact CA-OD2 3.45Å; I524-D663 VanDerWaalsContact CB-OD2 3.22Å; I524-D663 WeakPolarHBondContact CB-OD2 3.08Å; I524-D663 WeakPolarHBondContact CG1-OD2 3.44Å; I524-D663 PolarHBondContact N-OD2 3.42Å; T614-D663 CarbonylContact O-C 3.5Å; T614-D663 VanDerWaalsContact O-C 3.31Å; T614-D663 WeakPolarHBondContact O-CA 3.36Å; D663-F665 WeakPolarHBondContact OD2-CD1 3.22Å; D663-C674 HydrophobicContact CB-CB 4.18Å; D663-C674 PolarHBondContact O-N 3.32Å
664	V	95.7	Very high	88.6	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	116.1	176.4	-174.6	0	0	0	0	108.6	T614 G615 A616 L617 F627 Y672 F673	T614-V664 PolarHBondContact O-N 3.44Å; G615-V664 CarbonylContact C-O 3.14Å; G615-V664 WeakPolarHBondContact CA-O 3.39Å; A616-V664 PolarHBondContact N-O 3.36Å; L617-V664 HydrophobicContact CD1-CG1 3.97Å; L617-V664 HydrophobicContact CD2-CG1 3.94Å; L617-V664 HydrophobicContact CG-CG1 3.83Å; F627-V664 HydrophobicContact CB-CG2 4.41Å; F627-V664 HydrophobicContact CD2-CB 4.43Å; F627-V664 HydrophobicContact CD2-CG1 4.15Å; F627-V664 HydrophobicContact CE2-CG1 4.29Å; F627-V664 HydrophobicContact CG-CB 4.39Å; F627-V664 HydrophobicContact CG-CG1 4.34Å; F627-V664 HydrophobicContact CG-CG2 4.41Å; V664-Y672 VanDerWaalsContact CA-O 3.3Å; V664-Y672 WeakPolarHBondContact CA-O 3.41Å; V664-F673 HydrophobicContact CB-CD1 4.31Å; V664-F673 HydrophobicContact CB-CE1 4.41Å; V664-F673 HydrophobicContact CG1-CD1 3.79Å; V664-F673 HydrophobicContact CG1-CD2 4.36Å; V664-F673 HydrophobicContact CG1-CE1 3.59Å; V664-F673 HydrophobicContact CG1-CE2 4.18Å; V664-F673 HydrophobicContact CG1-CG 4.18Å; V664-F673 HydrophobicContact CG1-CZ 3.8Å; V664-F673 HydrophobicContact CG2-CD1 3.54Å; V664-F673 HydrophobicContact CG2-CE1 3.86Å; V664-F673 HydrophobicContact CG2-CG 4.3Å
665	F	94.2	Very high	88.6	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.009	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	162.5	-175.1	69.1	-86.5	0	0	0	112.4	I524 L531 L617 D663 Y672 I701	I524-F665 HydrophobicContact CB-CD1 3.68Å; I524-F665 HydrophobicContact CB-CD2 4.38Å; I524-F665 HydrophobicContact CB-CE1 3.71Å; I524-F665 HydrophobicContact CB-CE2 4.42Å; I524-F665 HydrophobicContact CB-CG 4.03Å; I524-F665 HydrophobicContact CB-CZ 4.1Å; I524-F665 HydrophobicContact CD1-CD1 4.49Å; I524-F665 HydrophobicContact CD1-CE1 3.79Å; I524-F665 HydrophobicContact CD1-CZ 4.19Å; I524-F665 HydrophobicContact CG1-CE1 4.33Å; I524-F665 HydrophobicContact CG2-CD1 3.98Å; I524-F665 HydrophobicContact CG2-CD2 3.84Å; I524-F665 HydrophobicContact CG2-CE1 3.78Å; I524-F665 HydrophobicContact CG2-CE2 3.64Å; I524-F665 HydrophobicContact CG2-CG 4.02Å; I524-F665 HydrophobicContact CG2-CZ 3.61Å; I524-F665 WeakPolarHBondContact O-CB 3.44Å; I524-F665 WeakPolarHBondContact O-CG 3.33Å; L531-F665 HydrophobicContact CD1-CD2 4.26Å; L531-F665 HydrophobicContact CD1-CE2 4.03Å; L617-F665 WeakPolarHBondContact CD2-O 3.39Å; D663-F665 WeakPolarHBondContact OD2-CD1 3.22Å; F665-Y672 HydrophobicContact CD2-CD2 4.47Å; F665-Y672 HydrophobicContact CE1-CG 4.4Å; F665-Y672 HydrophobicContact CE2-CD2 4Å; F665-Y672 AromaticContact CE2-CG 3.92Å; F665-Y672 HydrophobicContact CE2-CG 3.92Å; F665-Y672 HydrophobicContact CZ-CD1 4.22Å; F665-Y672 HydrophobicContact CZ-CD2 4.38Å; F665-Y672 AromaticContact CZ-CG 3.81Å; F665-Y672 HydrophobicContact CZ-CG 3.81Å; F665-Y672 PolarHBondContact N-O 3.06Å; F665-Y672 PolarHBondContact O-N 2.66Å; F665-I701 HydrophobicContact CZ-CD1 4.17Å
666	Q	90.7	Very high	88.6	Confident	45 Å²	45	40.5 Å²	40.5	21%	0.21	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.5	174.4	-178.9	164.3	-17.5	0	0	109.9	L617 K670	L617-Q666 HydrophobicContact CD2-CB 4.04Å; Q666-K670 WeakPolarHBondContact CA-O 3.41Å
667	Y	89.2	Confident	88.8	Confident	17 Å²	17	40.9 Å²	40.9	7%	0.067	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	129.9	173.4	179.9	-122.4	0	0	0	109	E526 L531 E669 K670 Y672	E526-Y667 HydrophobicContact CB-CD2 4.43Å; E526-Y667 HydrophobicContact CG-CD2 4.34Å; L531-Y667 HydrophobicContact CB-CD2 4.39Å; L531-Y667 HydrophobicContact CB-CE2 4.08Å; L531-Y667 HydrophobicContact CD1-CD2 3.66Å; L531-Y667 HydrophobicContact CD1-CE2 4.2Å; L531-Y667 HydrophobicContact CD1-CG 3.94Å; L531-Y667 HydrophobicContact CG-CD2 4.49Å; Y667-E669 VanDerWaalsContact C-N 3.28Å; Y667-E669 PolarHBondContact O-N 3.12Å; Y667-K670 PolarHBondContact N-O 3.14Å; Y667-K670 PolarHBondContact O-N 2.87Å; Y667-Y672 HydrophobicContact CD1-CE2 4.39Å; Y667-Y672 WeakPolarHBondContact O-CE2 3.42Å
668	Q	85	Confident	88.7	Confident	94 Å²	94	43.4 Å²	43.4	44%	0.439	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	44.5	179.5	-57	-174.2	-12.2	0	0	113.7	E526 E544 K670	E526-Q668 PolarHBondContact OE2-N 3.18Å; E544-Q668 PolarHBondContact OE2-NE2 3Å; Q668-K670 PolarHBondContact O-N 3.02Å; Q668-K670 VanDerWaalsContact O-N 3.07Å
669	E	84.3	Confident	89.1	Confident	177 Å²	177	42.9 Å²	42.9	83%	0.827	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	7.2	-179.8	-50.4	-171.6	154.3	0	0	115.6	Y667	Y667-E669 VanDerWaalsContact C-N 3.28Å; Y667-E669 PolarHBondContact O-N 3.12Å
670	K	89.4	Confident	89.7	Confident	63 Å²	63	43.1 Å²	43.1	27%	0.274	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	149.5	173.7	-62.4	-173.1	176.4	-159.7	0	110.7	Q666 Y667 Q668 Y672 R681 D692	Q666-K670 WeakPolarHBondContact CA-O 3.41Å; Y667-K670 PolarHBondContact N-O 3.14Å; Y667-K670 PolarHBondContact O-N 2.87Å; Q668-K670 PolarHBondContact O-N 3.02Å; Q668-K670 VanDerWaalsContact O-N 3.07Å; K670-Y672 HydrophobicContact CB-CE2 3.84Å; K670-Y672 WeakPolarHBondContact O-CD2 3.35Å; K670-R681 HydrophobicContact CB-CG 3.99Å; K670-R681 VanDerWaalsContact CD-CD 3.46Å; K670-R681 HydrophobicContact CD-CG 4Å; K670-D692 IonicContact NZ-OD2 2.84Å; K670-D692 PolarHBondContact NZ-OD2 2.95Å
671	A	92.7	Very high	90.2	Very high	12 Å²	12	40.1 Å²	40.1	10%	0.099	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	139.2	176.4	0	0	0	0	0	110	L617 F673 R681 V682	L617-A671 HydrophobicContact CD1-CB 3.55Å; L617-A671 HydrophobicContact CD2-CB 3.61Å; L617-A671 HydrophobicContact CG-CB 4.24Å; A671-F673 HydrophobicContact CB-CE2 4.03Å; A671-R681 CarbonylContact O-C 3.56Å; A671-R681 WeakPolarHBondContact O-CA 3.49Å; A671-V682 HydrophobicContact CB-CB 4.28Å; A671-V682 PolarHBondContact N-O 3.23Å; A671-V682 VanDerWaalsContact N-O 3.17Å; A671-V682 PolarHBondContact O-N 3.16Å
672	Y	94.3	Very high	90.4	Very high	10 Å²	10	40.1 Å²	40.1	4%	0.039	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.9	180	-68.8	-104.9	0	0	0	108.2	V664 F665 Y667 K670 Y679 R681 I701	V664-Y672 VanDerWaalsContact CA-O 3.3Å; V664-Y672 WeakPolarHBondContact CA-O 3.41Å; F665-Y672 HydrophobicContact CD2-CD2 4.47Å; F665-Y672 HydrophobicContact CE1-CG 4.4Å; F665-Y672 HydrophobicContact CE2-CD2 4Å; F665-Y672 AromaticContact CE2-CG 3.92Å; F665-Y672 HydrophobicContact CE2-CG 3.92Å; F665-Y672 HydrophobicContact CZ-CD1 4.22Å; F665-Y672 HydrophobicContact CZ-CD2 4.38Å; F665-Y672 AromaticContact CZ-CG 3.81Å; F665-Y672 HydrophobicContact CZ-CG 3.81Å; F665-Y672 PolarHBondContact N-O 3.06Å; F665-Y672 PolarHBondContact O-N 2.66Å; Y667-Y672 HydrophobicContact CD1-CE2 4.39Å; Y667-Y672 WeakPolarHBondContact O-CE2 3.42Å; K670-Y672 HydrophobicContact CB-CE2 3.84Å; K670-Y672 WeakPolarHBondContact O-CD2 3.35Å; Y672-Y679 AromaticContact CD1-CD2 3.51Å; Y672-Y679 HydrophobicContact CD1-CD2 3.51Å; Y672-Y679 AromaticContact CD1-CE2 3.98Å; Y672-Y679 HydrophobicContact CD1-CE2 3.98Å; Y672-Y679 AromaticContact CD1-CG 3.94Å; Y672-Y679 HydrophobicContact CD1-CG 3.94Å; Y672-Y679 AromaticContact CE1-CD2 3.88Å; Y672-Y679 HydrophobicContact CE1-CD2 3.88Å; Y672-Y679 AromaticContact CE1-CE2 3.84Å; Y672-Y679 HydrophobicContact CE1-CE2 3.84Å; Y672-R681 HydrophobicContact CD1-CB 4.14Å; Y672-R681 HydrophobicContact CD1-CG 4.12Å; Y672-R681 HydrophobicContact CD2-CG 4.42Å; Y672-R681 HydrophobicContact CE1-CB 3.99Å; Y672-R681 HydrophobicContact CE1-CG 3.71Å; Y672-R681 HydrophobicContact CE2-CG 3.99Å; Y672-R681 HydrophobicContact CG-CG 4.47Å; Y672-R681 VanDerWaalsContact OH-CD 3.22Å; Y672-R681 WeakPolarHBondContact OH-CD 3.38Å; Y672-I701 HydrophobicContact CD1-CD1 4.04Å; Y672-I701 HydrophobicContact CE1-CD1 3.97Å
673	F	94.1	Very high	90.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.8	178.2	-73.2	-99.4	0	0	0	108	L617 F627 V650 F654 V657 T661 V664 A671 Y679 W680 V682	L617-F673 HydrophobicContact CD1-CE2 4.15Å; L617-F673 HydrophobicContact CD1-CZ 3.93Å; F627-F673 HydrophobicContact CD1-CE1 4.21Å; F627-F673 AromaticContact CE1-CE1 3.94Å; F627-F673 HydrophobicContact CE1-CE1 3.94Å; F627-F673 HydrophobicContact CE1-CZ 4.08Å; F627-F673 HydrophobicContact CZ-CZ 4.35Å; V650-F673 HydrophobicContact CG1-CE1 4.08Å; F654-F673 HydrophobicContact CB-CE2 4.46Å; F654-F673 HydrophobicContact CB-CZ 4.07Å; F654-F673 AromaticContact CD1-CE2 3.86Å; F654-F673 HydrophobicContact CD1-CE2 3.86Å; F654-F673 AromaticContact CD1-CZ 3.74Å; F654-F673 HydrophobicContact CD1-CZ 3.74Å; F654-F673 AromaticContact CD2-CZ 4Å; F654-F673 HydrophobicContact CD2-CZ 4Å; F654-F673 HydrophobicContact CE1-CE2 4.33Å; F654-F673 HydrophobicContact CE1-CZ 4.15Å; F654-F673 HydrophobicContact CE2-CZ 4.39Å; F654-F673 HydrophobicContact CG-CE2 4.17Å; F654-F673 AromaticContact CG-CZ 3.66Å; F654-F673 HydrophobicContact CG-CZ 3.66Å; F654-F673 HydrophobicContact CZ-CZ 4.47Å; V657-F673 HydrophobicContact CB-CB 4.13Å; V657-F673 HydrophobicContact CB-CD1 4.12Å; V657-F673 HydrophobicContact CB-CD2 4.29Å; V657-F673 HydrophobicContact CB-CG 3.93Å; V657-F673 HydrophobicContact CG1-CB 4.31Å; V657-F673 HydrophobicContact CG1-CD1 4.42Å; V657-F673 HydrophobicContact CG1-CD2 3.74Å; V657-F673 HydrophobicContact CG1-CE2 4.12Å; V657-F673 HydrophobicContact CG1-CG 3.9Å; V657-F673 HydrophobicContact CG2-CD1 3.86Å; V657-F673 HydrophobicContact CG2-CE1 4.03Å; V657-F673 HydrophobicContact CG2-CG 4.17Å; V657-F673 HydrophobicContact CG2-CZ 4.48Å; T661-F673 HydrophobicContact CG2-CB 3.84Å; T661-F673 HydrophobicContact CG2-CD1 4.2Å; V664-F673 HydrophobicContact CB-CD1 4.31Å; V664-F673 HydrophobicContact CB-CE1 4.41Å; V664-F673 HydrophobicContact CG1-CD1 3.79Å; V664-F673 HydrophobicContact CG1-CD2 4.36Å; V664-F673 HydrophobicContact CG1-CE1 3.59Å; V664-F673 HydrophobicContact CG1-CE2 4.18Å; V664-F673 HydrophobicContact CG1-CG 4.18Å; V664-F673 HydrophobicContact CG1-CZ 3.8Å; V664-F673 HydrophobicContact CG2-CD1 3.54Å; V664-F673 HydrophobicContact CG2-CE1 3.86Å; V664-F673 HydrophobicContact CG2-CG 4.3Å; A671-F673 HydrophobicContact CB-CE2 4.03Å; F673-Y679 CarbonylContact O-C 3.4Å; F673-Y679 VanDerWaalsContact O-CA 3.31Å; F673-Y679 WeakPolarHBondContact O-CA 3.48Å; F673-W680 HydrophobicContact CB-CB 4.33Å; F673-W680 PolarHBondContact N-O 2.85Å; F673-W680 PolarHBondContact O-N 3.18Å; F673-V682 HydrophobicContact CD2-CG2 3.87Å; F673-V682 HydrophobicContact CE2-CB 4.43Å; F673-V682 HydrophobicContact CE2-CG2 3.9Å
674	C	91.8	Very high	89.7	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.6	-173.7	-72.3	0	0	0	0	111.7	T661 H662 D663 F678	T661-C674 CarbonylContact C-O 3.44Å; T661-C674 WeakPolarHBondContact CA-O 3.34Å; T661-C674 WeakPolarHBondContact CB-O 3.39Å; H662-C674 VanDerWaalsContact CE1-C 3.49Å; H662-C674 PolarHBondContact CE1-O 2.85Å; H662-C674 PolarHBondContact N-O 2.93Å; H662-C674 PolarHBondContact ND1-O 2.91Å; D663-C674 HydrophobicContact CB-CB 4.18Å; D663-C674 PolarHBondContact O-N 3.32Å; C674-F678 VanDerWaalsContact CA-O 3.31Å; C674-F678 WeakPolarHBondContact CA-O 3.35Å
675	Q	89.1	Confident	88.4	Confident	56 Å²	56	48 Å²	48	26%	0.262	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	121	172.3	-172.5	-164.4	5	0	0	107.2	P658 D660 R677 F678 W680	P658-Q675 HydrophobicContact CB-CB 4.1Å; P658-Q675 HydrophobicContact CB-CG 4.31Å; P658-Q675 HydrophobicContact CG-CB 4.04Å; D660-Q675 PolarHBondContact OD1-NE2 3.26Å; D660-Q675 PolarHBondContact OD2-NE2 2.92Å; Q675-R677 PolarHBondContact O-N 3.23Å; Q675-F678 PolarHBondContact N-O 3.1Å; Q675-F678 PolarHBondContact O-N 2.9Å; Q675-F678 VanDerWaalsContact O-N 3.08Å; Q675-W680 HydrophobicContact CB-CH2 4.33Å; Q675-W680 HydrophobicContact CB-CZ3 3.77Å
676	D	84.8	Confident	86.9	Confident	82 Å²	82	53.7 Å²	53.7	44%	0.439	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	-137.6	-170	-170.2	6.8	0	0	0	110.4	I520 H662 F678	I520-D676 WeakPolarHBondContact CD1-OD1 3.09Å; H662-D676 PolarHBondContact CE1-O 3.03Å; D676-F678 HydrophobicContact CB-CD2 4.49Å; D676-F678 PolarHBondContact O-N 2.53Å
677	R	84.9	Confident	85.6	Confident	71 Å²	71	60.6 Å²	60.6	27%	0.268	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	0.6	176.9	66.6	-170.6	-52.5	172.2	6.7	115.8	N519 Q675 Y696 V697	N519-R677 WeakPolarHBondContact O-CA 2.97Å; N519-R677 VanDerWaalsContact O-CB 3.25Å; N519-R677 WeakPolarHBondContact O-CB 3.46Å; Q675-R677 PolarHBondContact O-N 3.23Å; R677-Y696 HydrophobicContact CG-CD1 3.97Å; R677-Y696 HydrophobicContact CG-CE1 3.98Å; R677-V697 PolarHBondContact O-N 3Å
678	F	87	Confident	84.9	Confident	64 Å²	64	64.1 Å²	64.1	28%	0.281	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	151.9	-173.7	-58.1	-88.8	0	0	0	111.8	C674 Q675 D676 W680 G695 Y696	C674-F678 VanDerWaalsContact CA-O 3.31Å; C674-F678 WeakPolarHBondContact CA-O 3.35Å; Q675-F678 PolarHBondContact N-O 3.1Å; Q675-F678 PolarHBondContact O-N 2.9Å; Q675-F678 VanDerWaalsContact O-N 3.08Å; D676-F678 HydrophobicContact CB-CD2 4.49Å; D676-F678 PolarHBondContact O-N 2.53Å; F678-W680 HydrophobicContact CB-CE3 4.33Å; F678-W680 HydrophobicContact CB-CH2 3.72Å; F678-W680 HydrophobicContact CB-CZ3 3.44Å; F678-W680 VanDerWaalsContact CB-CZ3 3.44Å; F678-W680 HydrophobicContact CG-CH2 4.4Å; F678-G695 CarbonylContact C-O 3.54Å; F678-G695 VanDerWaalsContact CA-O 3.27Å; F678-G695 WeakPolarHBondContact CA-O 3.17Å; F678-Y696 HydrophobicContact CD1-CD1 4.12Å; F678-Y696 AromaticContact CD1-CE1 3.82Å; F678-Y696 HydrophobicContact CD1-CE1 3.82Å; F678-Y696 HydrophobicContact CE1-CD1 4.05Å; F678-Y696 AromaticContact CE1-CE1 3.28Å; F678-Y696 HydrophobicContact CE1-CE1 3.28Å; F678-Y696 HydrophobicContact CE1-CE2 4.12Å; F678-Y696 AromaticContact CE1-CZ 3.33Å; F678-Y696 WeakPolarHBondContact CE1-OH 3.43Å; F678-Y696 AromaticContact CZ-CE1 3.71Å; F678-Y696 HydrophobicContact CZ-CE1 3.71Å; F678-Y696 AromaticContact CZ-CZ 3.99Å
679	Y	92.6	Very high	84.9	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.016	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	149.6	166.1	73.2	-96.9	0	0	0	111.6	Y672 F673 R681 Q693 V694 G695 Y696 V697 D700 I701	Y672-Y679 AromaticContact CD1-CD2 3.51Å; Y672-Y679 HydrophobicContact CD1-CD2 3.51Å; Y672-Y679 AromaticContact CD1-CE2 3.98Å; Y672-Y679 HydrophobicContact CD1-CE2 3.98Å; Y672-Y679 AromaticContact CD1-CG 3.94Å; Y672-Y679 HydrophobicContact CD1-CG 3.94Å; Y672-Y679 AromaticContact CE1-CD2 3.88Å; Y672-Y679 HydrophobicContact CE1-CD2 3.88Å; Y672-Y679 AromaticContact CE1-CE2 3.84Å; Y672-Y679 HydrophobicContact CE1-CE2 3.84Å; F673-Y679 CarbonylContact O-C 3.4Å; F673-Y679 VanDerWaalsContact O-CA 3.31Å; F673-Y679 WeakPolarHBondContact O-CA 3.48Å; Y679-R681 HydrophobicContact CD2-CB 3.97Å; Y679-R681 HydrophobicContact CE2-CB 3.8Å; Y679-Q693 HydrophobicContact CE2-CG 4.44Å; Y679-Q693 PolarHBondContact OH-NE2 2.89Å; Y679-V694 VanDerWaalsContact O-CA 3.3Å; Y679-V694 WeakPolarHBondContact O-CA 3.38Å; Y679-G695 WeakPolarHBondContact CD1-O 3.47Å; Y679-G695 VanDerWaalsContact CE1-C 3.44Å; Y679-G695 PolarHBondContact N-O 2.82Å; Y679-G695 PolarHBondContact O-N 3.25Å; Y679-Y696 WeakPolarHBondContact CE1-O 3.41Å; Y679-V697 HydrophobicContact CD1-CG2 4.13Å; Y679-D700 HydrophobicContact CE1-CB 3.86Å; Y679-D700 WeakPolarHBondContact OH-CB 3.39Å; Y679-I701 HydrophobicContact CD1-CD1 3.94Å; Y679-I701 HydrophobicContact CD1-CG1 4.33Å; Y679-I701 HydrophobicContact CE1-CD1 4.02Å; Y679-I701 HydrophobicContact CE1-CG1 3.91Å; Y679-I701 HydrophobicContact CG-CD1 4.46Å
680	W	93	Very high	85	Confident	45 Å²	45	58.2 Å²	58.2	17%	0.17	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	111.8	167	-74	-114.6	0	0	0	107.3	V657 P658 F673 Q675 F678 V691 V694	V657-W680 HydrophobicContact CG1-CB 4.4Å; P658-W680 HydrophobicContact CG-CD2 3.61Å; P658-W680 HydrophobicContact CG-CE3 3.54Å; P658-W680 HydrophobicContact CG-CG 4.3Å; P658-W680 HydrophobicContact CG-CH2 3.8Å; P658-W680 HydrophobicContact CG-CZ2 3.82Å; P658-W680 HydrophobicContact CG-CZ3 3.66Å; F673-W680 HydrophobicContact CB-CB 4.33Å; F673-W680 PolarHBondContact N-O 2.85Å; F673-W680 PolarHBondContact O-N 3.18Å; Q675-W680 HydrophobicContact CB-CH2 4.33Å; Q675-W680 HydrophobicContact CB-CZ3 3.77Å; F678-W680 HydrophobicContact CB-CE3 4.33Å; F678-W680 HydrophobicContact CB-CH2 3.72Å; F678-W680 HydrophobicContact CB-CZ3 3.44Å; F678-W680 VanDerWaalsContact CB-CZ3 3.44Å; F678-W680 HydrophobicContact CG-CH2 4.4Å; W680-V691 HydrophobicContact CB-CG1 4.27Å; W680-V691 HydrophobicContact CB-CG2 4.46Å; W680-V691 HydrophobicContact CG-CG1 4.43Å; W680-V694 HydrophobicContact CD2-CG1 4.14Å; W680-V694 HydrophobicContact CD2-CG2 4.41Å; W680-V694 HydrophobicContact CG-CG2 4.02Å; W680-V694 HydrophobicContact CZ2-CG1 4.06Å
681	R	93.6	Very high	84.9	Confident	42 Å²	42	57 Å²	57	16%	0.158	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	126.6	177.1	-169	-178.6	74.6	-156.9	-15.8	109	K670 A671 Y672 Y679 V691 D692 Q693	K670-R681 HydrophobicContact CB-CG 3.99Å; K670-R681 VanDerWaalsContact CD-CD 3.46Å; K670-R681 HydrophobicContact CD-CG 4Å; A671-R681 CarbonylContact O-C 3.56Å; A671-R681 WeakPolarHBondContact O-CA 3.49Å; Y672-R681 HydrophobicContact CD1-CB 4.14Å; Y672-R681 HydrophobicContact CD1-CG 4.12Å; Y672-R681 HydrophobicContact CD2-CG 4.42Å; Y672-R681 HydrophobicContact CE1-CB 3.99Å; Y672-R681 HydrophobicContact CE1-CG 3.71Å; Y672-R681 HydrophobicContact CE2-CG 3.99Å; Y672-R681 HydrophobicContact CG-CG 4.47Å; Y672-R681 VanDerWaalsContact OH-CD 3.22Å; Y672-R681 WeakPolarHBondContact OH-CD 3.38Å; Y679-R681 HydrophobicContact CD2-CB 3.97Å; Y679-R681 HydrophobicContact CE2-CB 3.8Å; R681-V691 CarbonylContact O-C 3.59Å; R681-V691 WeakPolarHBondContact O-CA 3.45Å; R681-D692 IonicContact CZ-OD1 2.71Å; R681-D692 VanDerWaalsContact CZ-OD1 3.25Å; R681-D692 IonicContact CZ-OD2 2.84Å; R681-D692 IonicContact NE-OD1 2.75Å; R681-D692 PolarHBondContact NE-OD1 3.34Å; R681-D692 IonicContact NE-OD2 3.23Å; R681-D692 PolarHBondContact NE-OD2 3.06Å; R681-D692 VanDerWaalsContact NH2-CG 3.34Å; R681-D692 IonicContact NH2-OD1 3.5Å; R681-D692 PolarHBondContact NH2-OD1 3.18Å; R681-D692 IonicContact NH2-OD2 3.11Å; R681-D692 PolarHBondContact NH2-OD2 2.93Å; R681-D692 PolarHBondContact O-N 3.47Å; R681-Q693 HydrophobicContact CB-CB 4.29Å; R681-Q693 PolarHBondContact N-O 3.22Å
682	V	91	Very high	84.7	Confident	5 Å²	5	59.3 Å²	59.3	3%	0.03	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.6	178.9	179.9	0	0	0	0	109	F654 V657 A671 F673 N689 Q690 V691	F654-V682 HydrophobicContact CD1-CG1 4.13Å; V657-V682 HydrophobicContact CG1-CG2 3.46Å; V657-V682 VanDerWaalsContact CG1-CG2 3.46Å; A671-V682 HydrophobicContact CB-CB 4.28Å; A671-V682 PolarHBondContact N-O 3.23Å; A671-V682 VanDerWaalsContact N-O 3.17Å; A671-V682 PolarHBondContact O-N 3.16Å; F673-V682 HydrophobicContact CD2-CG2 3.87Å; F673-V682 HydrophobicContact CE2-CB 4.43Å; F673-V682 HydrophobicContact CE2-CG2 3.9Å; V682-N689 HydrophobicContact CG1-CB 3.75Å; V682-Q690 WeakPolarHBondContact CA-O 3.42Å; V682-V691 HydrophobicContact CG2-CG2 4.07Å
683	S	86.5	Confident	84.4	Confident	14 Å²	14	62 Å²	62	10%	0.098	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	146.6	168	69.3	0	0	0	0	109.8	Q690 D692	S683-Q690 PolarHBondContact N-O 3.03Å; S683-Q690 PolarHBondContact O-N 2.92Å; S683-D692 WeakPolarHBondContact CB-OD2 3.4Å; S683-D692 PolarHBondContact OG-OD2 2.86Å
684	S	79.3	Confident	84.2	Confident	80 Å²	80	65.7 Å²	65.7	56%	0.559	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	106.2	172.3	-157.8	0	0	0	0	108.3	V688 N689	S684-V688 WeakPolarHBondContact CA-O 3.19Å; S684-N689 PolarHBondContact OG-OD1 3.2Å
685	Q	68.8	Low	84.1	Confident	123 Å²	123	65.9 Å²	65.9	58%	0.575	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	126	173.8	-66.8	-173.3	13	0	0	108.5	E687 V688	Q685-E687 PolarHBondContact O-N 2.86Å; Q685-V688 PolarHBondContact N-O 2.98Å; Q685-V688 PolarHBondContact O-N 2.9Å
686	S	62.5	Low	83.9	Confident	123 Å²	123	67.4 Å²	67.4	86%	0.86	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	39.5	-179.9	-55.1	0	0	0	0	113.6	V688	S686-V688 PolarHBondContact O-N 3.02Å
687	E	64.8	Low	84	Confident	190 Å²	190	63.9 Å²	63.9	89%	0.888	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	9.6	-175.5	-52.7	-166.5	162.8	0	0	116	Q685	Q685-E687 PolarHBondContact O-N 2.86Å
688	V	73.8	Confident	84	Confident	91 Å²	91	60.8 Å²	60.8	55%	0.552	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.8	172	-175.1	0	0	0	0	108.9	S684 Q685 S686	S684-V688 WeakPolarHBondContact CA-O 3.19Å; Q685-V688 PolarHBondContact N-O 2.98Å; Q685-V688 PolarHBondContact O-N 2.9Å; S686-V688 PolarHBondContact O-N 3.02Å
689	N	84.2	Confident	83.8	Confident	24 Å²	24	61 Å²	61	13%	0.128	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	121.7	173.3	-67.7	-31.5	0	0	0	109.2	M653 F654 V682 S684	M653-N689 WeakPolarHBondContact O-CB 3.37Å; M653-N689 PolarHBondContact O-ND2 3.4Å; F654-N689 HydrophobicContact CD1-CB 4.01Å; F654-N689 HydrophobicContact CE1-CB 4.39Å; F654-N689 VanDerWaalsContact CE1-ND2 3.35Å; F654-N689 WeakPolarHBondContact CE1-ND2 3.5Å; V682-N689 HydrophobicContact CG1-CB 3.75Å; S684-N689 PolarHBondContact OG-OD1 3.2Å
690	Q	85.8	Confident	83.4	Confident	123 Å²	123	64.6 Å²	64.6	58%	0.575	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	137	177.5	-170.9	176.3	7	0	0	110.4	V682 S683 D692	V682-Q690 WeakPolarHBondContact CA-O 3.42Å; S683-Q690 PolarHBondContact N-O 3.03Å; S683-Q690 PolarHBondContact O-N 2.92Å; Q690-D692 PolarHBondContact O-N 3.48Å; Q690-D692 VanDerWaalsContact O-N 3.17Å
691	V	88	Confident	83.1	Confident	37 Å²	37	63 Å²	63	22%	0.224	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	114.8	168.4	179.2	0	0	0	0	108.3	V657 W680 R681 V682 V694	V657-V691 HydrophobicContact CG1-CG2 3.8Å; W680-V691 HydrophobicContact CB-CG1 4.27Å; W680-V691 HydrophobicContact CB-CG2 4.46Å; W680-V691 HydrophobicContact CG-CG1 4.43Å; R681-V691 CarbonylContact O-C 3.59Å; R681-V691 WeakPolarHBondContact O-CA 3.45Å; V682-V691 HydrophobicContact CG2-CG2 4.07Å; V691-V694 HydrophobicContact CG1-CG2 3.96Å
692	D	88.9	Confident	82.7	Confident	61 Å²	61	61.4 Å²	61.4	33%	0.326	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-18.5	-179.1	76.9	-0.4	0	0	0	112.6	K670 R681 S683 Q690	K670-D692 IonicContact NZ-OD2 2.84Å; K670-D692 PolarHBondContact NZ-OD2 2.95Å; R681-D692 IonicContact CZ-OD1 2.71Å; R681-D692 VanDerWaalsContact CZ-OD1 3.25Å; R681-D692 IonicContact CZ-OD2 2.84Å; R681-D692 IonicContact NE-OD1 2.75Å; R681-D692 PolarHBondContact NE-OD1 3.34Å; R681-D692 IonicContact NE-OD2 3.23Å; R681-D692 PolarHBondContact NE-OD2 3.06Å; R681-D692 VanDerWaalsContact NH2-CG 3.34Å; R681-D692 IonicContact NH2-OD1 3.5Å; R681-D692 PolarHBondContact NH2-OD1 3.18Å; R681-D692 IonicContact NH2-OD2 3.11Å; R681-D692 PolarHBondContact NH2-OD2 2.93Å; R681-D692 PolarHBondContact O-N 3.47Å; S683-D692 WeakPolarHBondContact CB-OD2 3.4Å; S683-D692 PolarHBondContact OG-OD2 2.86Å; Q690-D692 PolarHBondContact O-N 3.48Å; Q690-D692 VanDerWaalsContact O-N 3.17Å
693	Q	88.8	Confident	82.3	Confident	65 Å²	65	66.2 Å²	66.2	30%	0.304	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	142.8	179.3	-176.1	173.1	-10.6	0	0	110.7	Y679 R681	Y679-Q693 HydrophobicContact CE2-CG 4.44Å; Y679-Q693 PolarHBondContact OH-NE2 2.89Å; R681-Q693 HydrophobicContact CB-CB 4.29Å; R681-Q693 PolarHBondContact N-O 3.22Å
694	V	89.9	Confident	82.1	Confident	78 Å²	78	66 Å²	66	47%	0.473	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.4	165.9	-176.1	0	0	0	0	106.9	Y679 W680 V691	Y679-V694 VanDerWaalsContact O-CA 3.3Å; Y679-V694 WeakPolarHBondContact O-CA 3.38Å; W680-V694 HydrophobicContact CD2-CG1 4.14Å; W680-V694 HydrophobicContact CD2-CG2 4.41Å; W680-V694 HydrophobicContact CG-CG2 4.02Å; W680-V694 HydrophobicContact CZ2-CG1 4.06Å; V691-V694 HydrophobicContact CG1-CG2 3.96Å
695	G	88.1	Confident	82	Confident	5 Å²	5	67 Å²	67	5%	0.052	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	-172.8	-173	0	0	0	0	0	112.8	F678 Y679 D700	F678-G695 CarbonylContact C-O 3.54Å; F678-G695 VanDerWaalsContact CA-O 3.27Å; F678-G695 WeakPolarHBondContact CA-O 3.17Å; Y679-G695 WeakPolarHBondContact CD1-O 3.47Å; Y679-G695 VanDerWaalsContact CE1-C 3.44Å; Y679-G695 PolarHBondContact N-O 2.82Å; Y679-G695 PolarHBondContact O-N 3.25Å; G695-D700 WeakPolarHBondContact CA-OD2 3.45Å
696	Y	86.5	Confident	81.6	Confident	88 Å²	88	69.1 Å²	69.1	35%	0.345	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.9	177.8	-64.9	-91.5	0	0	0	110.7	R677 F678 Y679 T698 Y699 D700	R677-Y696 HydrophobicContact CG-CD1 3.97Å; R677-Y696 HydrophobicContact CG-CE1 3.98Å; F678-Y696 HydrophobicContact CD1-CD1 4.12Å; F678-Y696 AromaticContact CD1-CE1 3.82Å; F678-Y696 HydrophobicContact CD1-CE1 3.82Å; F678-Y696 HydrophobicContact CE1-CD1 4.05Å; F678-Y696 AromaticContact CE1-CE1 3.28Å; F678-Y696 HydrophobicContact CE1-CE1 3.28Å; F678-Y696 HydrophobicContact CE1-CE2 4.12Å; F678-Y696 AromaticContact CE1-CZ 3.33Å; F678-Y696 WeakPolarHBondContact CE1-OH 3.43Å; F678-Y696 AromaticContact CZ-CE1 3.71Å; F678-Y696 HydrophobicContact CZ-CE1 3.71Å; F678-Y696 AromaticContact CZ-CZ 3.99Å; Y679-Y696 WeakPolarHBondContact CE1-O 3.41Å; Y696-T698 VanDerWaalsContact C-N 3.3Å; Y696-T698 PolarHBondContact O-N 2.71Å; Y696-Y699 VanDerWaalsContact CB-CD2 3.43Å; Y696-Y699 HydrophobicContact CD1-CD2 4.14Å; Y696-Y699 HydrophobicContact CD1-CE2 4.13Å; Y696-Y699 AromaticContact CD2-CD2 3.75Å; Y696-Y699 HydrophobicContact CD2-CD2 3.75Å; Y696-Y699 HydrophobicContact CD2-CE2 4.32Å; Y696-Y699 AromaticContact CG-CD2 3.52Å; Y696-Y699 HydrophobicContact CG-CD2 3.52Å; Y696-Y699 AromaticContact CG-CE2 3.97Å; Y696-Y699 HydrophobicContact CG-CE2 3.97Å; Y696-Y699 PolarHBondContact O-N 2.94Å; Y696-D700 PolarHBondContact N-OD2 3.23Å; Y696-D700 WeakPolarHBondContact O-CB 3.46Å; Y696-D700 PolarHBondContact O-N 2.92Å
697	V	86.4	Confident	81.2	Confident	9 Å²	9	73.8 Å²	73.8	6%	0.055	38%	0.378	C	S	.	.	I	π-helix	trans	-60.3	-42.8	177.9	176.5	0	0	0	0	110.8	F521 I524 L533 R677 Y679 I701 L702	F521-V697 HydrophobicContact CD2-CG1 3.96Å; F521-V697 HydrophobicContact CE2-CG1 3.88Å; I524-V697 HydrophobicContact CD1-CG1 3.8Å; I524-V697 HydrophobicContact CD1-CG2 4.33Å; L533-V697 HydrophobicContact CD2-CG1 4.12Å; R677-V697 PolarHBondContact O-N 3Å; Y679-V697 HydrophobicContact CD1-CG2 4.13Å; V697-I701 HydrophobicContact CG1-CD1 4.45Å; V697-I701 HydrophobicContact CG2-CD1 4.49Å; V697-I701 VanDerWaalsContact O-CB 3.28Å; V697-I701 WeakPolarHBondContact O-CB 3.09Å; V697-I701 PolarHBondContact O-N 2.88Å; V697-L702 PolarHBondContact O-N 2.9Å; V697-L702 VanDerWaalsContact O-N 3.08Å
698	T	84.9	Confident	82	Confident	5 Å²	5	68 Å²	68	3%	0.031	35%	0.352	C	S	.	.	I	π-helix	trans	-69.4	-41.9	-177.6	52.2	0	0	0	0	113.3	V518 Y696 L702 Q703 C704	V518-T698 VanDerWaalsContact O-CG2 3.3Å; V518-T698 WeakPolarHBondContact O-CG2 3.43Å; Y696-T698 VanDerWaalsContact C-N 3.3Å; Y696-T698 PolarHBondContact O-N 2.71Å; T698-L702 CarbonylContact O-C 3.55Å; T698-L702 WeakPolarHBondContact O-CB 3.15Å; T698-Q703 PolarHBondContact O-N 2.95Å; T698-C704 VanDerWaalsContact O-CB 3.28Å; T698-C704 WeakPolarHBondContact O-CB 3.3Å; T698-C704 PolarHBondContact O-N 3.22Å; T698-C704 VanDerWaalsContact O-N 3.08Å; T698-C704 PolarHBondContact O-SG 3.26Å
699	Y	83.2	Confident	82.5	Confident	69 Å²	69	66.7 Å²	66.7	27%	0.271	34%	0.342	S	S	.	.	I	π-helix	trans	-85.7	-52.5	-175.2	-52.5	-56.2	0	0	0	112	Y696 Q703 C704 E706	Y696-Y699 VanDerWaalsContact CB-CD2 3.43Å; Y696-Y699 HydrophobicContact CD1-CD2 4.14Å; Y696-Y699 HydrophobicContact CD1-CE2 4.13Å; Y696-Y699 AromaticContact CD2-CD2 3.75Å; Y696-Y699 HydrophobicContact CD2-CD2 3.75Å; Y696-Y699 HydrophobicContact CD2-CE2 4.32Å; Y696-Y699 AromaticContact CG-CD2 3.52Å; Y696-Y699 HydrophobicContact CG-CD2 3.52Å; Y696-Y699 AromaticContact CG-CE2 3.97Å; Y696-Y699 HydrophobicContact CG-CE2 3.97Å; Y696-Y699 PolarHBondContact O-N 2.94Å; Y699-Q703 VanDerWaalsContact O-CA 3.26Å; Y699-Q703 WeakPolarHBondContact O-CA 3.32Å; Y699-Q703 PolarHBondContact O-N 2.81Å; Y699-C704 HydrophobicContact CD1-CB 4.42Å; Y699-E706 HydrophobicContact CD1-CG 4.27Å
700	D	83.9	Confident	82.4	Confident	79 Å²	79	69.1 Å²	69.1	42%	0.422	35%	0.354	S	S	.	.	I	π-helix	trans	-82.1	-30.3	-170.8	-58.7	-61.8	0	0	0	112.8	Y679 G695 Y696	Y679-D700 HydrophobicContact CE1-CB 3.86Å; Y679-D700 WeakPolarHBondContact OH-CB 3.39Å; G695-D700 WeakPolarHBondContact CA-OD2 3.45Å; Y696-D700 PolarHBondContact N-OD2 3.23Å; Y696-D700 WeakPolarHBondContact O-CB 3.46Å; Y696-D700 PolarHBondContact O-N 2.92Å
701	I	86.3	Confident	82.2	Confident	11 Å²	11	65.9 Å²	65.9	6%	0.056	34%	0.341	C	S	.	.	I	π-helix	trans	-96.1	-51.6	179.8	-53.8	178.8	0	0	0	110.7	L531 F542 F665 Y672 Y679 V697	L531-I701 HydrophobicContact CD2-CG2 3.51Å; F542-I701 WeakPolarHBondContact CE1-O 3.5Å; F542-I701 WeakPolarHBondContact CZ-O 3.4Å; F665-I701 HydrophobicContact CZ-CD1 4.17Å; Y672-I701 HydrophobicContact CD1-CD1 4.04Å; Y672-I701 HydrophobicContact CE1-CD1 3.97Å; Y679-I701 HydrophobicContact CD1-CD1 3.94Å; Y679-I701 HydrophobicContact CD1-CG1 4.33Å; Y679-I701 HydrophobicContact CE1-CD1 4.02Å; Y679-I701 HydrophobicContact CE1-CG1 3.91Å; Y679-I701 HydrophobicContact CG-CD1 4.46Å; V697-I701 HydrophobicContact CG1-CD1 4.45Å; V697-I701 HydrophobicContact CG2-CD1 4.49Å; V697-I701 VanDerWaalsContact O-CB 3.28Å; V697-I701 WeakPolarHBondContact O-CB 3.09Å; V697-I701 PolarHBondContact O-N 2.88Å
702	L	84.3	Confident	81.8	Confident	10 Å²	10	67.8 Å²	67.8	5%	0.052	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-9.8	-176.4	-55.8	-179.2	0	0	0	114.3	A515 F521 L533 F542 L550 V697 T698 C704	A515-L702 HydrophobicContact CB-CD1 4.19Å; F521-L702 HydrophobicContact CE2-CD1 4.22Å; F521-L702 HydrophobicContact CZ-CD1 3.97Å; L533-L702 HydrophobicContact CD1-CD2 3.72Å; L533-L702 HydrophobicContact CD2-CD1 3.97Å; L533-L702 HydrophobicContact CD2-CD2 3.76Å; L533-L702 HydrophobicContact CD2-CG 4.2Å; L533-L702 HydrophobicContact CG-CD2 4.41Å; F542-L702 HydrophobicContact CB-CD2 4.14Å; F542-L702 HydrophobicContact CD2-CD2 4.15Å; F542-L702 HydrophobicContact CG-CD2 4.12Å; L550-L702 HydrophobicContact CD1-CD2 4.17Å; V697-L702 PolarHBondContact O-N 2.9Å; V697-L702 VanDerWaalsContact O-N 3.08Å; T698-L702 CarbonylContact O-C 3.55Å; T698-L702 WeakPolarHBondContact O-CB 3.15Å; L702-C704 PolarHBondContact O-N 2.87Å
703	Q	84.5	Confident	81.3	Confident	105 Å²	105	68.2 Å²	68.2	49%	0.491	35%	0.349	S	S	.	.			trans	57.3	34.2	-178.8	-57.7	177.6	-5	0	0	112.9	S548 T698 Y699	S548-Q703 VanDerWaalsContact CB-OE1 3.25Å; S548-Q703 PolarHBondContact OG-OE1 2.83Å; T698-Q703 PolarHBondContact O-N 2.95Å; Y699-Q703 VanDerWaalsContact O-CA 3.26Å; Y699-Q703 WeakPolarHBondContact O-CA 3.32Å; Y699-Q703 PolarHBondContact O-N 2.81Å
704	C	82.4	Confident	80.8	Confident	11 Å²	11	68.4 Å²	68.4	7%	0.074	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-65.6	145.8	173.1	-63.7	0	0	0	0	110.6	C516 T698 Y699 L702	C516-C704 WeakPolarHBondContact CA-SG 3.47Å; C516-C704 HydrophobicContact CB-CB 3.6Å; C516-C704 WeakPolarHBondContact CB-SG 2.96Å; C516-C704 WeakPolarHBondContact SG-CB 3.38Å; C516-C704 CovalentContact SG-SG 2.03Å; C516-C704 PolarHBondContact SG-SG 2.63Å; T698-C704 VanDerWaalsContact O-CB 3.28Å; T698-C704 WeakPolarHBondContact O-CB 3.3Å; T698-C704 PolarHBondContact O-N 3.22Å; T698-C704 VanDerWaalsContact O-N 3.08Å; T698-C704 PolarHBondContact O-SG 3.26Å; Y699-C704 HydrophobicContact CD1-CB 4.42Å; L702-C704 PolarHBondContact O-N 2.87Å
705	P	75.4	Confident	80.1	Confident	101 Å²	101	67.7 Å²	67.7	66%	0.656	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-60.4	140.4	174.9	24	-30.4	0	0	0	110.8
706	E	62	Low	79.5	Confident	166 Å²	166	72.9 Å²	72.9	78%	0.776	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-73.5	123.4	165.7	-70.5	-177	156.6	0	0	108	Y699	Y699-E706 HydrophobicContact CD1-CG 4.27Å
707	D	53.7	Low	78.8	Confident	221 Å²	221	71.5 Å²	71.5	100%	1.182	37%	0.37	S	S	*	.			trans	-79.7	0	168.5	-86.5	-20.5	0	0	0	111.6

Retrieved 707 of 707 residues in 250.7 ms (Link to these results)

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