A0A087XPA7_POEFO Loading...

Galectin-3-binding protein A-like

AlphaFold DB , UniProt , Accession A0A087XPA7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 598 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	44.8	Very low	42.7	Very low	209 Å²	209	120.2 Å²	120.2	100%	1.03	62%	0.62	S	S	*	*				0	-52.3	0	-110.5	172	179.6	0	0	111.9	T3 K4 L5	M1-T3 VanDerWaalsContact C-N 3.33Å; M1-T3 PolarHBondContact O-N 2.85Å; M1-K4 PolarHBondContact O-N 3.25Å; M1-L5 PolarHBondContact O-N 3.03Å
2	F	36.6	Very low	42.8	Very low	170 Å²	170	114.4 Å²	114.4	75%	0.746	60%	0.603	S	S	*	*	H	α-helix	trans	-56.8	-35.1	178.6	-93.8	-91.1	0	0	0	115.8	L6	F2-L6 WeakPolarHBondContact O-CB 3.24Å; F2-L6 PolarHBondContact O-N 2.88Å; F2-L6 VanDerWaalsContact O-N 3.1Å
3	T	36.3	Very low	42.8	Very low	116 Å²	116	114.8 Å²	114.8	71%	0.712	61%	0.605	S	S	*	*	H	α-helix	trans	-74.3	-26.2	-178.8	45.3	0	0	0	0	114.3	M1 A7	M1-T3 VanDerWaalsContact C-N 3.33Å; M1-T3 PolarHBondContact O-N 2.85Å; T3-A7 WeakPolarHBondContact O-CB 3.49Å; T3-A7 PolarHBondContact O-N 3.06Å
4	K	39.5	Very low	42.6	Very low	176 Å²	176	115.1 Å²	115.1	77%	0.765	61%	0.606	S	S	*	*	H	α-helix	trans	-81.7	-32.2	174.8	-68.9	-169.2	175.8	-172	0	112	M1 A8	M1-K4 PolarHBondContact O-N 3.25Å; K4-A8 PolarHBondContact O-N 3.23Å; K4-A8 VanDerWaalsContact O-N 3.09Å
5	L	41.4	Very low	42.7	Very low	107 Å²	107	119.5 Å²	119.5	56%	0.56	61%	0.613	S	S	*	*	H	α-helix	trans	-70	-41.9	175.7	-159.2	78.2	0	0	0	111.6	M1 A8 I9	M1-L5 PolarHBondContact O-N 3.03Å; L5-A8 PolarHBondContact O-N 2.7Å; L5-I9 HydrophobicContact CG-CD1 4.4Å; L5-I9 WeakPolarHBondContact O-CD1 3.44Å; L5-I9 VanDerWaalsContact O-CG1 3.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.32Å; L5-I9 PolarHBondContact O-N 2.78Å
6	L	41.4	Very low	42.6	Very low	107 Å²	107	123.5 Å²	123.5	56%	0.56	63%	0.625	S	S	*	*	H	α-helix	trans	-65	-38.1	174.1	-92.9	150.8	0	0	0	112.5	F2 I9 F10	F2-L6 WeakPolarHBondContact O-CB 3.24Å; F2-L6 PolarHBondContact O-N 2.88Å; F2-L6 VanDerWaalsContact O-N 3.1Å; L6-I9 PolarHBondContact O-N 3.36Å; L6-F10 WeakPolarHBondContact O-CB 3.3Å; L6-F10 PolarHBondContact O-N 2.82Å
7	A	40.3	Very low	42.2	Very low	48 Å²	48	121.9 Å²	121.9	40%	0.397	63%	0.628	S	S	.	*	H	α-helix	trans	-66.3	-37.3	175.4	0	0	0	0	0	112.5	T3 F10 L11	T3-A7 WeakPolarHBondContact O-CB 3.49Å; T3-A7 PolarHBondContact O-N 3.06Å; A7-F10 PolarHBondContact O-N 3.09Å; A7-L11 WeakPolarHBondContact O-CB 3.42Å; A7-L11 PolarHBondContact O-N 3.5Å
8	A	46.3	Very low	42.5	Very low	47 Å²	47	126.2 Å²	126.2	39%	0.388	65%	0.645	S	S	.	*	H	α-helix	trans	-68.1	-38.3	175.3	0	0	0	0	0	112.6	K4 L5 L11 A12	K4-A8 PolarHBondContact O-N 3.23Å; K4-A8 VanDerWaalsContact O-N 3.09Å; L5-A8 PolarHBondContact O-N 2.7Å; A8-L11 PolarHBondContact O-N 3.13Å; A8-A12 WeakPolarHBondContact O-CB 3.36Å; A8-A12 PolarHBondContact O-N 2.89Å
9	I	52.8	Low	41.8	Very low	91 Å²	91	123.2 Å²	123.2	47%	0.467	65%	0.648	S	S	.	*	H	α-helix	trans	-68	-38.9	174.7	-66.7	164.5	0	0	0	110.8	L5 L6 A12 L13	L5-I9 HydrophobicContact CG-CD1 4.4Å; L5-I9 WeakPolarHBondContact O-CD1 3.44Å; L5-I9 VanDerWaalsContact O-CG1 3.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.32Å; L5-I9 PolarHBondContact O-N 2.78Å; L6-I9 PolarHBondContact O-N 3.36Å; I9-A12 PolarHBondContact O-N 2.94Å; I9-L13 HydrophobicContact CG2-CD1 4.05Å; I9-L13 WeakPolarHBondContact O-CG 3.41Å; I9-L13 PolarHBondContact O-N 2.84Å
10	F	44	Very low	41.9	Very low	145 Å²	145	127.1 Å²	127.1	64%	0.636	66%	0.663	S	S	*	*	H	α-helix	trans	-69.4	-35.6	177.4	-135.3	-93.6	0	0	0	112.5	L6 A7 L14	L6-F10 WeakPolarHBondContact O-CB 3.3Å; L6-F10 PolarHBondContact O-N 2.82Å; A7-F10 PolarHBondContact O-N 3.09Å; F10-L14 HydrophobicContact CD1-CD1 4.39Å; F10-L14 WeakPolarHBondContact O-CG 3.22Å; F10-L14 PolarHBondContact O-N 3.27Å
11	L	46.4	Very low	41.1	Very low	106 Å²	106	126.3 Å²	126.3	56%	0.555	67%	0.667	S	S	*	*	H	α-helix	trans	-71.7	-37.3	173.4	-83.8	157.4	0	0	0	112.3	A7 A8 L13 L14 Y15	A7-L11 WeakPolarHBondContact O-CB 3.42Å; A7-L11 PolarHBondContact O-N 3.5Å; A8-L11 PolarHBondContact O-N 3.13Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.07Å; L11-L14 PolarHBondContact O-N 3.42Å; L11-Y15 WeakPolarHBondContact O-CD2 3.34Å
12	A	44.6	Very low	40.8	Very low	51 Å²	51	121.4 Å²	121.4	42%	0.421	66%	0.66	S	S	.	*	H	α-helix	trans	-66.6	-34.2	175.6	0	0	0	0	0	112.8	A8 I9	A8-A12 WeakPolarHBondContact O-CB 3.36Å; A8-A12 PolarHBondContact O-N 2.89Å; I9-A12 PolarHBondContact O-N 2.94Å
13	L	42.8	Very low	40.4	Very low	120 Å²	120	120.3 Å²	120.3	63%	0.628	66%	0.661	S	S	*	*	H	α-helix	trans	-73.5	-25.1	175.7	-73.8	166.3	0	0	0	113.4	I9 L11 Y15	I9-L13 HydrophobicContact CG2-CD1 4.05Å; I9-L13 WeakPolarHBondContact O-CG 3.41Å; I9-L13 PolarHBondContact O-N 2.84Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.07Å; L13-Y15 VanDerWaalsContact C-N 3.29Å; L13-Y15 PolarHBondContact O-N 3.19Å
14	L	39.4	Very low	40.4	Very low	119 Å²	119	120.8 Å²	120.8	62%	0.623	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-11.7	176.6	-74.4	167.5	0	0	0	113.6	F10 L11	F10-L14 HydrophobicContact CD1-CD1 4.39Å; F10-L14 WeakPolarHBondContact O-CG 3.22Å; F10-L14 PolarHBondContact O-N 3.27Å; L11-L14 PolarHBondContact O-N 3.42Å
15	Y	43.8	Very low	40	Very low	180 Å²	180	119.6 Å²	119.6	71%	0.706	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-1.3	177.6	-92.6	-85.6	0	0	0	114.5	L11 L13	L11-Y15 WeakPolarHBondContact O-CD2 3.34Å; L13-Y15 VanDerWaalsContact C-N 3.29Å; L13-Y15 PolarHBondContact O-N 3.19Å
16	F	42	Very low	39.5	Very low	184 Å²	184	120.7 Å²	120.7	81%	0.807	66%	0.663	S	S	*	*	S	Bend	trans	-91.5	7.8	177.1	-92.5	-80.7	0	0	0	114.6
17	S	35.2	Very low	39.2	Very low	97 Å²	97	124 Å²	124	68%	0.678	67%	0.668	S	S	*	*	S	Bend	trans	-97.7	117.8	166.8	175.4	0	0	0	0	108.9	G19	S17-G19 PolarHBondContact O-N 3.41Å
18	E	47.1	Very low	39	Very low	199 Å²	199	126.9 Å²	126.9	93%	0.93	69%	0.685	S	S	*	*			trans	-46.1	129	171.6	-67.1	-179.4	153	0	0	111.7
19	G	30.6	Very low	38.6	Very low	68 Å²	68	130.2 Å²	130.2	70%	0.701	71%	0.706	S	S	*	*			trans	166.7	105.3	176.3	0	0	0	0	0	109.7	S17 C21	S17-G19 PolarHBondContact O-N 3.41Å; G19-C21 PolarHBondContact O-N 2.91Å; G19-C21 VanDerWaalsContact O-N 3.16Å
20	E	43.2	Very low	38.7	Very low	202 Å²	202	136.8 Å²	136.8	94%	0.944	73%	0.725	S	S	*	*			trans	-49	119.8	171.6	-71.8	178.8	148.5	0	0	110.7
21	C	25.5	Very low	40.1	Very low	110 Å²	110	138.2 Å²	138.2	74%	0.743	73%	0.733	S	S	*	*			trans	-143.5	100.9	157.2	-90.3	0	0	0	0	107.9	G19 L23	G19-C21 PolarHBondContact O-N 2.91Å; G19-C21 VanDerWaalsContact O-N 3.16Å; C21-L23 PolarHBondContact O-N 3.29Å
22	A	38.8	Very low	41.8	Very low	107 Å²	107	135.2 Å²	135.2	88%	0.884	72%	0.72	S	S	*	*			trans	-64.1	114.3	166.7	0	0	0	0	0	109
23	L	26.4	Very low	43.9	Very low	147 Å²	147	140 Å²	140	77%	0.77	73%	0.731	S	S	*	*			trans	-124.5	93.1	163.8	-93.4	159.6	0	0	0	107.6	C21 N25	C21-L23 PolarHBondContact O-N 3.29Å; L23-N25 PolarHBondContact O-N 2.81Å
24	N	38	Very low	46.2	Very low	125 Å²	125	138.8 Å²	138.8	67%	0.668	72%	0.722	S	S	*	*			trans	-58.5	123.5	160	-84.2	-16.2	0	0	0	108.5
25	N	30	Very low	48.5	Very low	152 Å²	152	133.1 Å²	133.1	81%	0.813	69%	0.693	S	S	*	*			trans	-173.4	103.3	137.2	-99.1	-22.1	0	0	0	111.8	L23	L23-N25 PolarHBondContact O-N 2.81Å
26	H	30.9	Very low	50.9	Low	130 Å²	130	127 Å²	127	60%	0.602	67%	0.672	S	S	*	*			trans	-103.3	120.6	149.6	-113	-73.9	0	0	0	107.8
27	R	35.5	Very low	53.5	Low	176 Å²	176	118.8 Å²	118.8	66%	0.664	64%	0.637	S	S	*	*			trans	-158.6	118.6	142.3	-122.6	176.4	-174.7	-154.4	-0.2	109.8	S29	R27-S29 PolarHBondContact O-N 3.01Å
28	S	34.9	Very low	56.3	Low	108 Å²	108	117.6 Å²	117.6	76%	0.755	62%	0.618	S	S	*	*			trans	-51.1	116.2	163.7	178.5	0	0	0	0	108.9	R30	S28-R30 PolarHBondContact O-N 3.31Å; S28-R30 VanDerWaalsContact O-N 3.12Å
29	S	37.8	Very low	58.6	Low	118 Å²	118	109.4 Å²	109.4	83%	0.825	58%	0.58	S	S	*	*			trans	-81.7	87	-179.9	46.2	0	0	0	0	110.4	R27	R27-S29 PolarHBondContact O-N 3.01Å
30	R	56.4	Low	61.5	Low	229 Å²	229	107.6 Å²	107.6	86%	0.864	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-69.4	132.2	145.5	-75.2	-177	-179.1	177.2	1.7	107.1	S28	S28-R30 PolarHBondContact O-N 3.31Å; S28-R30 VanDerWaalsContact O-N 3.12Å
31	E	72.9	Confident	63.5	Low	175 Å²	175	100.4 Å²	100.4	82%	0.818	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-57.6	127.4	170.8	-72.2	-173.1	165.4	0	0	109.1
32	P	81.3	Confident	66.4	Low	42 Å²	42	97 Å²	97	27%	0.273	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-66.2	136.2	-177.5	25.9	-33.2	0	0	0	111.1	Y53 W58	P32-Y53 HydrophobicContact CB-CD1 3.9Å; P32-Y53 HydrophobicContact CB-CD2 3.92Å; P32-Y53 HydrophobicContact CB-CE1 4.06Å; P32-Y53 HydrophobicContact CB-CE2 4.1Å; P32-Y53 HydrophobicContact CB-CG 3.79Å; P32-Y53 HydrophobicContact CG-CD1 4.26Å; P32-Y53 HydrophobicContact CG-CD2 3.87Å; P32-Y53 HydrophobicContact CG-CE1 3.95Å; P32-Y53 HydrophobicContact CG-CE2 3.55Å; P32-Y53 HydrophobicContact CG-CG 4.18Å; P32-Y53 WeakPolarHBondContact O-CE1 3.49Å; P32-W58 HydrophobicContact CB-CH2 4.3Å; P32-W58 HydrophobicContact CB-CZ2 3.55Å; P32-W58 HydrophobicContact CG-CZ2 4.19Å
33	K	89.8	Confident	68.1	Low	151 Å²	151	97 Å²	97	66%	0.657	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-100	160.3	177.5	-63.4	-178.8	-178.5	180	0	110.5	G35 D36 Y53	K33-G35 PolarHBondContact O-N 3Å; K33-D36 PolarHBondContact N-OD2 3.4Å; K33-D36 VanDerWaalsContact O-CB 3.26Å; K33-D36 WeakPolarHBondContact O-CB 3.41Å; K33-D36 VanDerWaalsContact O-CG 3.32Å; K33-D36 PolarHBondContact O-N 2.62Å; K33-Y53 WeakPolarHBondContact O-CD1 3.27Å
34	E	90.3	Very high	70.6	Confident	95 Å²	95	91.9 Å²	91.9	44%	0.444	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	123.9	177.4	-170.2	54.5	-127.2	0	0	111.6	H54 Q55	E34-H54 WeakPolarHBondContact OE1-CA 3.38Å; E34-H54 IonicContact OE1-CE1 3.27Å; E34-H54 IonicContact OE1-CG 2.77Å; E34-H54 IonicContact OE1-ND1 3.07Å; E34-H54 PolarHBondContact OE1-ND1 2.84Å; E34-H54 IonicContact OE2-ND1 3.04Å; E34-Q55 PolarHBondContact OE2-N 2.95Å; E34-Q55 VanDerWaalsContact OE2-N 3.11Å
35	G	88.6	Confident	72.8	Confident	1 Å²	1	91.1 Å²	91.1	1%	0.01	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	10.5	-177.1	0	0	0	0	0	116	K33 Y53 Q77 V114	K33-G35 PolarHBondContact O-N 3Å; G35-Y53 PolarHBondContact N-O 3Å; G35-Q77 PolarHBondContact O-NE2 3.48Å; G35-V114 VanDerWaalsContact CA-CG1 3.43Å
36	D	94.1	Very high	75.7	Confident	50 Å²	50	84.6 Å²	84.6	27%	0.267	45%	0.453	S	S	.	.			trans	-68	145.8	169.3	-76.1	-9.4	0	0	0	110.6	K33 I52 Y53 W58	K33-D36 PolarHBondContact N-OD2 3.4Å; K33-D36 VanDerWaalsContact O-CB 3.26Å; K33-D36 WeakPolarHBondContact O-CB 3.41Å; K33-D36 VanDerWaalsContact O-CG 3.32Å; K33-D36 PolarHBondContact O-N 2.62Å; D36-I52 CarbonylContact O-C 3.46Å; D36-I52 WeakPolarHBondContact O-CA 3.46Å; D36-Y53 PolarHBondContact O-N 2.95Å; D36-W58 HydrophobicContact CB-CH2 4.22Å; D36-W58 VanDerWaalsContact O-CZ3 3.27Å; D36-W58 WeakPolarHBondContact O-CZ3 3.34Å
37	V	96	Very high	78.7	Confident	12 Å²	12	80.8 Å²	80.8	7%	0.073	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	146	-177.7	176.7	0	0	0	0	110	V50 E51 I52 V74 L78 L113	V37-V50 HydrophobicContact CG1-CG1 3.73Å; V37-E51 CarbonylContact C-O 3.59Å; V37-E51 WeakPolarHBondContact CA-O 3.47Å; V37-I52 HydrophobicContact CG2-CB 4.44Å; V37-I52 HydrophobicContact CG2-CD1 4.21Å; V37-I52 HydrophobicContact CG2-CG1 4.06Å; V37-V74 HydrophobicContact CG1-CG1 3.88Å; V37-L78 VanDerWaalsContact O-CD2 3.29Å; V37-L78 WeakPolarHBondContact O-CD2 3.08Å; V37-L113 HydrophobicContact CG2-CB 4.18Å; V37-L113 HydrophobicContact CG2-CD2 4.4Å
38	R	94.7	Very high	81.6	Confident	72 Å²	72	72.4 Å²	72.4	27%	0.272	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	158.4	170	71.8	-177.9	-175.2	-175.4	1.8	111.2	E51 W58	R38-E51 HydrophobicContact CG-CB 3.89Å; R38-E51 IonicContact CZ-OE2 3.8Å; R38-E51 PolarHBondContact N-O 3.26Å; R38-E51 IonicContact NE-OE2 3.07Å; R38-E51 PolarHBondContact NE-OE2 3.03Å; R38-E51 IonicContact NH2-OE2 2.77Å; R38-E51 PolarHBondContact NH2-OE2 2.81Å; R38-E51 PolarHBondContact O-N 3.35Å; R38-W58 HydrophobicContact CB-CH2 3.92Å; R38-W58 HydrophobicContact CB-CZ3 3.96Å; R38-W58 HydrophobicContact CG-CD2 4.24Å; R38-W58 HydrophobicContact CG-CE3 3.74Å; R38-W58 HydrophobicContact CG-CH2 3.87Å; R38-W58 HydrophobicContact CG-CZ2 4.33Å; R38-W58 HydrophobicContact CG-CZ3 3.56Å; R38-W58 VanDerWaalsContact CZ-CD1 3.49Å; R38-W58 VanDerWaalsContact NH1-CD1 3.34Å
39	L	95	Very high	84.6	Confident	27 Å²	27	68.4 Å²	68.4	14%	0.141	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	142.5	170.4	-54.9	-176.8	0	0	0	109.8	R49 V50 V74 L78 V134	L39-R49 CarbonylContact C-O 3.56Å; L39-R49 VanDerWaalsContact CA-O 3.32Å; L39-R49 WeakPolarHBondContact CA-O 2.94Å; L39-V50 HydrophobicContact CD2-CG2 4.09Å; L39-V74 HydrophobicContact CD2-CG1 4.26Å; L39-L78 HydrophobicContact CD1-CD1 3.81Å; L39-L78 HydrophobicContact CD2-CD1 3.79Å; L39-L78 HydrophobicContact CG-CD1 3.54Å; L39-V134 HydrophobicContact CD1-CG2 3.9Å; L39-V134 HydrophobicContact CD2-CG2 3.45Å; L39-V134 VanDerWaalsContact CD2-CG2 3.45Å; L39-V134 HydrophobicContact CG-CG2 4.34Å
40	S	92.2	Very high	87.4	Confident	30 Å²	30	62.8 Å²	62.8	21%	0.21	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157.8	179.3	-72.6	0	0	0	0	111.3	G48 R49	S40-G48 CarbonylContact O-C 3.56Å; S40-G48 WeakPolarHBondContact O-CA 3.12Å; S40-R49 PolarHBondContact N-O 3.27Å; S40-R49 WeakPolarHBondContact O-CB 3.26Å; S40-R49 PolarHBondContact O-N 2.91Å
41	G	83.9	Confident	89.4	Confident	52 Å²	52	52.6 Å²	52.6	54%	0.536	30%	0.295	S	S	.	.	S	Bend	trans	84.4	7.1	176.9	0	0	0	0	0	116.3	Y92	G41-Y92 WeakPolarHBondContact CA-O 3.49Å
42	S	85.9	Confident	90.5	Very high	39 Å²	39	44.2 Å²	44.2	27%	0.273	26%	0.256	S	S	.	.			trans	-126.3	157.9	164.4	-175.2	0	0	0	0	111.1	S44 E47	S42-S44 PolarHBondContact OG-N 3.45Å; S42-S44 VanDerWaalsContact OG-N 3.15Å; S42-E47 WeakPolarHBondContact CB-O 3.47Å; S42-E47 PolarHBondContact OG-OE1 2.95Å
43	S	74.6	Confident	91.2	Very high	107 Å²	107	44.3 Å²	44.3	75%	0.748	25%	0.251	S	S	*	.	S	Bend	trans	-81.5	-14.6	168.9	54.8	0	0	0	0	113.2
44	S	79.9	Confident	91.4	Very high	39 Å²	39	37.8 Å²	37.8	27%	0.273	22%	0.223	S	C	.	.	S	Bend	trans	-87.6	138	175.3	174.8	0	0	0	0	110.7	S42 S46	S42-S44 PolarHBondContact OG-N 3.45Å; S42-S44 VanDerWaalsContact OG-N 3.15Å; S44-S46 PolarHBondContact O-N 3.06Å; S44-S46 PolarHBondContact OG-N 3.27Å; S44-S46 PolarHBondContact OG-OG 3.44Å
45	P	84.7	Confident	91.4	Very high	109 Å²	109	40.1 Å²	40.1	71%	0.708	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-16.7	176.6	30.3	-35.6	0	0	0	113.5	F80	P45-F80 WeakPolarHBondContact O-CZ 3.39Å
46	S	91	Very high	91.4	Very high	14 Å²	14	42.7 Å²	42.7	10%	0.098	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	5.1	-175.8	69.5	0	0	0	0	113.9	S44 C136	S44-S46 PolarHBondContact O-N 3.06Å; S44-S46 PolarHBondContact OG-N 3.27Å; S44-S46 PolarHBondContact OG-OG 3.44Å; S46-C136 WeakPolarHBondContact O-CA 3.49Å; S46-C136 WeakPolarHBondContact O-CB 3.44Å; S46-C136 PolarHBondContact O-N 3.49Å
47	E	93.8	Very high	91.3	Very high	50 Å²	50	44.5 Å²	44.5	23%	0.234	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	156	176.6	51	159.3	-147.4	0	0	111.5	S42 Y92 V134 I135	S42-E47 WeakPolarHBondContact CB-O 3.47Å; S42-E47 PolarHBondContact OG-OE1 2.95Å; E47-Y92 HydrophobicContact CB-CE1 4.33Å; E47-Y92 HydrophobicContact CG-CE1 4.33Å; E47-Y92 PolarHBondContact OE2-OH 3.27Å; E47-V134 VanDerWaalsContact CA-O 3.26Å; E47-V134 WeakPolarHBondContact CA-O 3.42Å; E47-V134 WeakPolarHBondContact CB-O 3.43Å; E47-I135 HydrophobicContact CB-CB 4.44Å; E47-I135 HydrophobicContact CB-CG1 4.14Å; E47-I135 HydrophobicContact CB-CG2 4.4Å
48	G	95.6	Very high	91.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.5	176.2	176.5	0	0	0	0	0	113.3	S40 G133 V134	S40-G48 CarbonylContact O-C 3.56Å; S40-G48 WeakPolarHBondContact O-CA 3.12Å; G48-G133 CarbonylContact O-C 3.51Å; G48-G133 WeakPolarHBondContact O-CA 3.46Å; G48-V134 PolarHBondContact N-O 3.11Å; G48-V134 VanDerWaalsContact N-O 3.08Å; G48-V134 PolarHBondContact O-N 3.4Å
49	R	97.8	Very high	91.4	Very high	24 Å²	24	43.3 Å²	43.3	9%	0.091	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	135	168	-178.8	178.5	60.5	-100.3	-2.3	109.6	L39 S40 E51 Y92 G93 D131 A132	L39-R49 CarbonylContact C-O 3.56Å; L39-R49 VanDerWaalsContact CA-O 3.32Å; L39-R49 WeakPolarHBondContact CA-O 2.94Å; S40-R49 PolarHBondContact N-O 3.27Å; S40-R49 WeakPolarHBondContact O-CB 3.26Å; S40-R49 PolarHBondContact O-N 2.91Å; R49-E51 IonicContact CZ-OE1 3.99Å; R49-E51 IonicContact NE-OE1 3.72Å; R49-E51 PolarHBondContact NE-OE1 3.17Å; R49-E51 IonicContact NH2-OE1 2.9Å; R49-E51 PolarHBondContact NH2-OE1 2.83Å; R49-Y92 PolarHBondContact NH1-O 3.18Å; R49-G93 WeakPolarHBondContact CD-O 3.25Å; R49-G93 PolarHBondContact NH1-O 3.28Å; R49-D131 HydrophobicContact CG-CB 4.08Å; R49-A132 WeakPolarHBondContact CA-O 3.34Å; R49-A132 WeakPolarHBondContact CG-O 3.36Å
50	V	97.7	Very high	91.5	Very high	0 Å²	0	42 Å²	42	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	124.6	178.5	-176.8	0	0	0	0	109.4	V37 L39 V61 W66 V74 L113 A132 V134	V37-V50 HydrophobicContact CG1-CG1 3.73Å; L39-V50 HydrophobicContact CD2-CG2 4.09Å; V50-V61 HydrophobicContact CB-CG2 4.46Å; V50-V61 HydrophobicContact CG1-CG2 3.98Å; V50-W66 HydrophobicContact CG2-CH2 4.37Å; V50-W66 HydrophobicContact CG2-CZ2 3.93Å; V50-V74 HydrophobicContact CG1-CG1 4.3Å; V50-V74 HydrophobicContact CG1-CG2 4.08Å; V50-V74 HydrophobicContact CG2-CG1 4.08Å; V50-V74 HydrophobicContact CG2-CG2 4.43Å; V50-L113 HydrophobicContact CG1-CD2 4.12Å; V50-A132 PolarHBondContact N-O 3.47Å; V50-V134 HydrophobicContact CG2-CB 4.45Å; V50-V134 HydrophobicContact CG2-CG1 3.72Å; V50-V134 HydrophobicContact CG2-CG2 4.11Å
51	E	97.4	Very high	91.7	Very high	15 Å²	15	40.6 Å²	40.6	7%	0.07	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.5	170.8	-66.4	178.2	-174.2	0	0	109.6	V37 R38 R49 W58 G59	V37-E51 CarbonylContact C-O 3.59Å; V37-E51 WeakPolarHBondContact CA-O 3.47Å; R38-E51 HydrophobicContact CG-CB 3.89Å; R38-E51 IonicContact CZ-OE2 3.8Å; R38-E51 PolarHBondContact N-O 3.26Å; R38-E51 IonicContact NE-OE2 3.07Å; R38-E51 PolarHBondContact NE-OE2 3.03Å; R38-E51 IonicContact NH2-OE2 2.77Å; R38-E51 PolarHBondContact NH2-OE2 2.81Å; R38-E51 PolarHBondContact O-N 3.35Å; R49-E51 IonicContact CZ-OE1 3.99Å; R49-E51 IonicContact NE-OE1 3.72Å; R49-E51 PolarHBondContact NE-OE1 3.17Å; R49-E51 IonicContact NH2-OE1 2.9Å; R49-E51 PolarHBondContact NH2-OE1 2.83Å; E51-W58 HydrophobicContact CB-CE3 4.1Å; E51-W58 WeakPolarHBondContact O-CZ3 3.4Å; E51-G59 CarbonylContact C-O 3.56Å; E51-G59 VanDerWaalsContact CA-O 3.24Å; E51-G59 WeakPolarHBondContact CA-O 3.48Å
52	I	96.9	Very high	92.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	144.2	-178.9	-165.1	166.9	0	0	0	110.9	D36 V37 G59 V61 W100 L101 L113 V114 W121	D36-I52 CarbonylContact O-C 3.46Å; D36-I52 WeakPolarHBondContact O-CA 3.46Å; V37-I52 HydrophobicContact CG2-CB 4.44Å; V37-I52 HydrophobicContact CG2-CD1 4.21Å; V37-I52 HydrophobicContact CG2-CG1 4.06Å; I52-G59 PolarHBondContact N-O 3.32Å; I52-G59 PolarHBondContact O-N 3.4Å; I52-V61 HydrophobicContact CG2-CG2 4.19Å; I52-W100 HydrophobicContact CG2-CB 3.65Å; I52-W100 HydrophobicContact CG2-CG 4.25Å; I52-W100 VanDerWaalsContact O-CD1 3.28Å; I52-L101 HydrophobicContact CD1-CD1 3.69Å; I52-L101 HydrophobicContact CG2-CD1 4.36Å; I52-L101 HydrophobicContact CG2-CG 4.37Å; I52-L113 HydrophobicContact CD1-CB 4.32Å; I52-L113 HydrophobicContact CD1-CD2 4.31Å; I52-V114 HydrophobicContact CD1-CG1 3.46Å; I52-V114 VanDerWaalsContact CD1-CG1 3.46Å; I52-V114 HydrophobicContact CG1-CG1 4.45Å; I52-W121 HydrophobicContact CD1-CH2 3.88Å; I52-W121 HydrophobicContact CD1-CZ3 4.23Å; I52-W121 HydrophobicContact CG1-CH2 4.32Å; I52-W121 HydrophobicContact CG1-CZ3 4.5Å; I52-W121 HydrophobicContact CG2-CZ3 4.06Å
53	Y	95.6	Very high	92.7	Very high	43 Å²	43	37.2 Å²	37.2	17%	0.169	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	121.1	-178	-167	-106.8	0	0	0	111.6	P32 K33 G35 D36 G56 W58	P32-Y53 HydrophobicContact CB-CD1 3.9Å; P32-Y53 HydrophobicContact CB-CD2 3.92Å; P32-Y53 HydrophobicContact CB-CE1 4.06Å; P32-Y53 HydrophobicContact CB-CE2 4.1Å; P32-Y53 HydrophobicContact CB-CG 3.79Å; P32-Y53 HydrophobicContact CG-CD1 4.26Å; P32-Y53 HydrophobicContact CG-CD2 3.87Å; P32-Y53 HydrophobicContact CG-CE1 3.95Å; P32-Y53 HydrophobicContact CG-CE2 3.55Å; P32-Y53 HydrophobicContact CG-CG 4.18Å; P32-Y53 WeakPolarHBondContact O-CE1 3.49Å; K33-Y53 WeakPolarHBondContact O-CD1 3.27Å; G35-Y53 PolarHBondContact N-O 3Å; D36-Y53 PolarHBondContact O-N 2.95Å; Y53-G56 VanDerWaalsContact CE2-C 3.46Å; Y53-G56 VanDerWaalsContact CZ-C 3.48Å; Y53-G56 VanDerWaalsContact CZ-CA 3.49Å; Y53-G56 VanDerWaalsContact OH-CA 3.27Å; Y53-G56 WeakPolarHBondContact OH-CA 3.4Å; Y53-G56 PolarHBondContact OH-O 3.24Å; Y53-W58 AromaticContact CD2-CD1 3.76Å; Y53-W58 AromaticContact CD2-CD2 3.79Å; Y53-W58 HydrophobicContact CD2-CD2 3.79Å; Y53-W58 AromaticContact CD2-CE2 3.69Å; Y53-W58 HydrophobicContact CD2-CE3 4.44Å; Y53-W58 AromaticContact CD2-CG 3.88Å; Y53-W58 HydrophobicContact CD2-CG 3.88Å; Y53-W58 HydrophobicContact CD2-CZ2 4.3Å; Y53-W58 AromaticContact CD2-NE1 3.63Å; Y53-W58 AromaticContact CE2-NE1 4Å; Y53-W58 HydrophobicContact CG-CD2 4.43Å
54	H	94	Very high	93.5	Very high	15 Å²	15	34.6 Å²	34.6	7%	0.069	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	135	177.6	-175	65.3	0	0	0	110.5	E34 G56 Q57 W100 W121	E34-H54 WeakPolarHBondContact OE1-CA 3.38Å; E34-H54 IonicContact OE1-CE1 3.27Å; E34-H54 IonicContact OE1-CG 2.77Å; E34-H54 IonicContact OE1-ND1 3.07Å; E34-H54 PolarHBondContact OE1-ND1 2.84Å; E34-H54 IonicContact OE2-ND1 3.04Å; H54-G56 VanDerWaalsContact C-N 3.28Å; H54-G56 PolarHBondContact O-N 3.07Å; H54-G56 VanDerWaalsContact O-N 3.17Å; H54-Q57 PolarHBondContact N-O 3.02Å; H54-Q57 WeakPolarHBondContact O-CG 3.48Å; H54-Q57 PolarHBondContact O-N 2.68Å; H54-Q57 VanDerWaalsContact O-N 3.12Å; H54-W100 HydrophobicContact CB-CD2 4.11Å; H54-W100 HydrophobicContact CB-CG 4.17Å; H54-W100 HydrophobicContact CB-CZ2 4.22Å; H54-W121 HydrophobicContact CB-CD2 4.45Å; H54-W121 HydrophobicContact CB-CE3 3.85Å; H54-W121 HydrophobicContact CB-CH2 4.2Å; H54-W121 HydrophobicContact CB-CZ3 3.72Å; H54-W121 AromaticContact CD2-CD2 3.92Å; H54-W121 AromaticContact CD2-CE3 3.93Å; H54-W121 AromaticContact CD2-CG 3.98Å; H54-W121 AromaticContact CE1-CD1 3.58Å; H54-W121 AromaticContact CE1-CD2 3.57Å; H54-W121 AromaticContact CE1-CE2 3.7Å; H54-W121 AromaticContact CE1-CG 3.49Å; H54-W121 VanDerWaalsContact CE1-CG 3.49Å; H54-W121 AromaticContact CE1-NE1 3.7Å; H54-W121 AromaticContact CG-CD2 3.75Å; H54-W121 AromaticContact CG-CE3 3.61Å; H54-W121 AromaticContact CG-CZ3 3.92Å; H54-W121 AromaticContact ND1-CD2 3.52Å; H54-W121 AromaticContact ND1-CE2 3.55Å; H54-W121 AromaticContact ND1-CE3 3.81Å; H54-W121 AromaticContact ND1-CG 3.95Å; H54-W121 AromaticContact ND1-CZ2 3.85Å; H54-W121 AromaticContact NE2-CD1 3.94Å; H54-W121 AromaticContact NE2-CD2 3.85Å; H54-W121 AromaticContact NE2-CG 3.52Å
55	Q	90.6	Very high	93.9	Very high	143 Å²	143	38.8 Å²	38.8	67%	0.668	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	42.6	175.3	-68.1	-177.8	28.3	0	0	114.7	E34 Q57	E34-Q55 PolarHBondContact OE2-N 2.95Å; E34-Q55 VanDerWaalsContact OE2-N 3.11Å; Q55-Q57 VanDerWaalsContact C-N 3.33Å; Q55-Q57 PolarHBondContact O-N 3.28Å
56	G	87.8	Confident	94.5	Very high	55 Å²	55	34.3 Å²	34.3	57%	0.567	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.3	3.5	174.5	0	0	0	0	0	115.2	Y53 H54	Y53-G56 VanDerWaalsContact CE2-C 3.46Å; Y53-G56 VanDerWaalsContact CZ-C 3.48Å; Y53-G56 VanDerWaalsContact CZ-CA 3.49Å; Y53-G56 VanDerWaalsContact OH-CA 3.27Å; Y53-G56 WeakPolarHBondContact OH-CA 3.4Å; Y53-G56 PolarHBondContact OH-O 3.24Å; H54-G56 VanDerWaalsContact C-N 3.28Å; H54-G56 PolarHBondContact O-N 3.07Å; H54-G56 VanDerWaalsContact O-N 3.17Å
57	Q	93	Very high	94.3	Very high	89 Å²	89	37.2 Å²	37.2	42%	0.416	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	146.9	-178.6	64.5	-175.2	-30.4	0	0	112.4	H54 Q55 P98 W100	H54-Q57 PolarHBondContact N-O 3.02Å; H54-Q57 WeakPolarHBondContact O-CG 3.48Å; H54-Q57 PolarHBondContact O-N 2.68Å; H54-Q57 VanDerWaalsContact O-N 3.12Å; Q55-Q57 VanDerWaalsContact C-N 3.33Å; Q55-Q57 PolarHBondContact O-N 3.28Å; Q57-P98 HydrophobicContact CG-CG 4.32Å; Q57-W100 HydrophobicContact CG-CH2 4.4Å; Q57-W100 HydrophobicContact CG-CZ2 3.42Å; Q57-W100 VanDerWaalsContact CG-CZ2 3.42Å; Q57-W100 VanDerWaalsContact NE2-CH2 3.33Å; Q57-W100 PolarHBondContact O-NE1 2.86Å
58	W	95.9	Very high	94.2	Very high	56 Å²	56	38.6 Å²	38.6	21%	0.212	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	139.9	171.7	-68.5	95.7	0	0	0	110	P32 D36 R38 E51 Y53	P32-W58 HydrophobicContact CB-CH2 4.3Å; P32-W58 HydrophobicContact CB-CZ2 3.55Å; P32-W58 HydrophobicContact CG-CZ2 4.19Å; D36-W58 HydrophobicContact CB-CH2 4.22Å; D36-W58 VanDerWaalsContact O-CZ3 3.27Å; D36-W58 WeakPolarHBondContact O-CZ3 3.34Å; R38-W58 HydrophobicContact CB-CH2 3.92Å; R38-W58 HydrophobicContact CB-CZ3 3.96Å; R38-W58 HydrophobicContact CG-CD2 4.24Å; R38-W58 HydrophobicContact CG-CE3 3.74Å; R38-W58 HydrophobicContact CG-CH2 3.87Å; R38-W58 HydrophobicContact CG-CZ2 4.33Å; R38-W58 HydrophobicContact CG-CZ3 3.56Å; R38-W58 VanDerWaalsContact CZ-CD1 3.49Å; R38-W58 VanDerWaalsContact NH1-CD1 3.34Å; E51-W58 HydrophobicContact CB-CE3 4.1Å; E51-W58 WeakPolarHBondContact O-CZ3 3.4Å; Y53-W58 AromaticContact CD2-CD1 3.76Å; Y53-W58 AromaticContact CD2-CD2 3.79Å; Y53-W58 HydrophobicContact CD2-CD2 3.79Å; Y53-W58 AromaticContact CD2-CE2 3.69Å; Y53-W58 HydrophobicContact CD2-CE3 4.44Å; Y53-W58 AromaticContact CD2-CG 3.88Å; Y53-W58 HydrophobicContact CD2-CG 3.88Å; Y53-W58 HydrophobicContact CD2-CZ2 4.3Å; Y53-W58 AromaticContact CD2-NE1 3.63Å; Y53-W58 AromaticContact CE2-NE1 4Å; Y53-W58 HydrophobicContact CG-CD2 4.43Å
59	G	95.8	Very high	94	Very high	3 Å²	3	40.2 Å²	40.2	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	160.9	172.5	0	0	0	0	0	111.2	E51 I52 P98 W100	E51-G59 CarbonylContact C-O 3.56Å; E51-G59 VanDerWaalsContact CA-O 3.24Å; E51-G59 WeakPolarHBondContact CA-O 3.48Å; I52-G59 PolarHBondContact N-O 3.32Å; I52-G59 PolarHBondContact O-N 3.4Å; G59-P98 CarbonylContact C-O 3.14Å; G59-P98 WeakPolarHBondContact CA-O 3.46Å; G59-W100 VanDerWaalsContact N-CD1 3.26Å
60	S	96.9	Very high	93.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	172.6	-178.5	56.2	0	0	0	0	112.6	P98 I99 W100 H128 D131	S60-P98 PolarHBondContact N-O 3.05Å; S60-I99 CarbonylContact O-C 3.58Å; S60-W100 PolarHBondContact O-N 3.01Å; S60-H128 PolarHBondContact OG-CE1 3.5Å; S60-H128 PolarHBondContact OG-ND1 3.03Å; S60-D131 WeakPolarHBondContact CB-OD1 3.27Å; S60-D131 PolarHBondContact OG-OD1 3.46Å
61	V	97.6	Very high	93.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.8	174.6	179.9	0	0	0	0	107.7	V50 I52 W66 L101 V104 L113 A132	V50-V61 HydrophobicContact CB-CG2 4.46Å; V50-V61 HydrophobicContact CG1-CG2 3.98Å; I52-V61 HydrophobicContact CG2-CG2 4.19Å; V61-W66 HydrophobicContact CG1-CE3 3.94Å; V61-W66 HydrophobicContact CG1-CH2 4.3Å; V61-W66 HydrophobicContact CG1-CZ3 3.59Å; V61-L101 HydrophobicContact CG1-CB 4.07Å; V61-L101 HydrophobicContact CG2-CB 4.3Å; V61-L101 HydrophobicContact CG2-CD1 4.48Å; V61-V104 HydrophobicContact CG1-CG2 3.82Å; V61-L113 HydrophobicContact CG2-CD2 4.03Å; V61-A132 HydrophobicContact CB-CB 4.37Å; V61-A132 HydrophobicContact CG1-CB 4.39Å; V61-A132 WeakPolarHBondContact O-CB 3.41Å; V61-A132 PolarHBondContact O-N 2.94Å
62	C	96.2	Very high	93.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-75.2	151.4	175.7	-173.4	0	0	0	0	111.7	I99 L101 D102 C126 E130	C62-I99 HydrophobicContact CB-CG2 4.12Å; C62-L101 PolarHBondContact N-O 2.86Å; C62-D102 HydrophobicContact CB-CB 4.16Å; C62-D102 WeakPolarHBondContact CB-OD1 3.43Å; C62-C126 HydrophobicContact CB-CB 3.75Å; C62-C126 WeakPolarHBondContact CB-SG 3.47Å; C62-C126 WeakPolarHBondContact SG-CB 3.44Å; C62-C126 CovalentContact SG-SG 2.01Å; C62-C126 PolarHBondContact SG-SG 2.76Å; C62-E130 CarbonylContact C-O 3.21Å; C62-E130 WeakPolarHBondContact CA-O 3.42Å
63	D	93.8	Very high	93.5	Very high	19 Å²	19	41.9 Å²	41.9	10%	0.102	22%	0.221	C	C	.	.			trans	-88.8	0.5	179.9	71.2	-3.5	0	0	0	115.1	D65 W66 T88 K89 E130 A132	D63-D65 PolarHBondContact O-N 3.4Å; D63-W66 HydrophobicContact CB-CB 4.25Å; D63-W66 VanDerWaalsContact O-CB 3.23Å; D63-W66 WeakPolarHBondContact O-CB 3.27Å; D63-W66 PolarHBondContact O-N 3.28Å; D63-W66 VanDerWaalsContact O-N 3.12Å; D63-T88 HydrophobicContact CB-CG2 3.84Å; D63-T88 VanDerWaalsContact OD2-CB 3.26Å; D63-T88 WeakPolarHBondContact OD2-CB 3.3Å; D63-K89 WeakPolarHBondContact OD2-CA 3.13Å; D63-K89 PolarHBondContact OD2-N 2.73Å; D63-E130 WeakPolarHBondContact CB-O 3.42Å; D63-E130 PolarHBondContact N-O 2.69Å; D63-E130 VanDerWaalsContact OD1-CB 3.24Å; D63-E130 WeakPolarHBondContact OD1-CB 3.16Å; D63-A132 HydrophobicContact CB-CB 4.12Å
64	D	90.6	Very high	93.5	Very high	53 Å²	53	39.9 Å²	39.9	28%	0.283	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	126.6	170.5	-81.6	-13	0	0	0	110	W66	D64-W66 PolarHBondContact O-N 2.96Å; D64-W66 VanDerWaalsContact O-N 3.09Å
65	D	89.3	Confident	93.5	Very high	126 Å²	126	39.1 Å²	39.1	67%	0.674	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	9.4	-169.5	-74.7	-17.5	0	0	0	116.1	D63 D67	D63-D65 PolarHBondContact O-N 3.4Å; D65-D67 PolarHBondContact O-N 3.08Å
66	W	96.3	Very high	93.6	Very high	16 Å²	16	35.5 Å²	35.5	6%	0.061	19%	0.19	C	C	.	.			trans	-70.1	114.5	-178.9	-171.2	-103.7	0	0	0	113	V50 V61 D63 D64 D70 V74 V104 L113 A132 G133 V134	V50-W66 HydrophobicContact CG2-CH2 4.37Å; V50-W66 HydrophobicContact CG2-CZ2 3.93Å; V61-W66 HydrophobicContact CG1-CE3 3.94Å; V61-W66 HydrophobicContact CG1-CH2 4.3Å; V61-W66 HydrophobicContact CG1-CZ3 3.59Å; D63-W66 HydrophobicContact CB-CB 4.25Å; D63-W66 VanDerWaalsContact O-CB 3.23Å; D63-W66 WeakPolarHBondContact O-CB 3.27Å; D63-W66 PolarHBondContact O-N 3.28Å; D63-W66 VanDerWaalsContact O-N 3.12Å; D64-W66 PolarHBondContact O-N 2.96Å; D64-W66 VanDerWaalsContact O-N 3.09Å; W66-D70 WeakPolarHBondContact CA-OD2 3.34Å; W66-D70 HydrophobicContact CD2-CB 4Å; W66-D70 HydrophobicContact CE3-CB 3.67Å; W66-D70 HydrophobicContact CH2-CB 3.88Å; W66-D70 HydrophobicContact CZ2-CB 4.19Å; W66-D70 HydrophobicContact CZ3-CB 3.61Å; W66-V74 HydrophobicContact CH2-CG2 3.75Å; W66-V74 HydrophobicContact CZ2-CG2 4.17Å; W66-V104 HydrophobicContact CE3-CB 4.1Å; W66-V104 HydrophobicContact CE3-CG2 4.48Å; W66-V104 HydrophobicContact CZ3-CB 4.09Å; W66-V104 HydrophobicContact CZ3-CG1 4.11Å; W66-V104 HydrophobicContact CZ3-CG2 4.3Å; W66-L113 HydrophobicContact CH2-CD1 4.02Å; W66-L113 HydrophobicContact CH2-CD2 4.15Å; W66-L113 HydrophobicContact CZ3-CD1 4.06Å; W66-L113 HydrophobicContact CZ3-CD2 4.38Å; W66-A132 HydrophobicContact CB-CB 4.49Å; W66-A132 HydrophobicContact CD2-CB 3.65Å; W66-A132 HydrophobicContact CE3-CB 4.17Å; W66-A132 HydrophobicContact CG-CB 3.78Å; W66-A132 HydrophobicContact CZ2-CB 4.32Å; W66-G133 PolarHBondContact NE1-O 3.49Å; W66-V134 HydrophobicContact CZ2-CG1 3.8Å
67	D	87.9	Confident	93.9	Very high	75 Å²	75	34.6 Å²	34.6	40%	0.401	17%	0.171	S	C	.	.			trans	-129.5	-179.2	-176.3	82.6	21.1	0	0	0	114.3	D65 S69 D70 A71 A86	D65-D67 PolarHBondContact O-N 3.08Å; D67-S69 PolarHBondContact O-N 2.95Å; D67-S69 VanDerWaalsContact OD1-CA 3.32Å; D67-S69 WeakPolarHBondContact OD1-CA 3.22Å; D67-S69 WeakPolarHBondContact OD1-CB 3.49Å; D67-S69 PolarHBondContact OD1-N 3.12Å; D67-S69 PolarHBondContact OD1-OG 3.39Å; D67-D70 PolarHBondContact N-OD2 3.13Å; D67-D70 PolarHBondContact O-N 3.47Å; D67-D70 VanDerWaalsContact O-N 3.16Å; D67-D70 PolarHBondContact OD1-N 3.19Å; D67-A71 PolarHBondContact O-N 3.35Å; D67-A71 VanDerWaalsContact O-N 3.09Å; D67-A86 VanDerWaalsContact O-CB 3.27Å; D67-A86 WeakPolarHBondContact O-CB 3.5Å
68	L	90.5	Very high	93.8	Very high	78 Å²	78	31.7 Å²	31.7	41%	0.408	16%	0.158	S	C	.	.	H	α-helix	trans	-62.8	-26.7	-176.6	-170.3	65.1	0	0	0	112.9	Q72 A83	L68-Q72 WeakPolarHBondContact O-CB 3.47Å; L68-Q72 WeakPolarHBondContact O-CG 3.41Å; L68-Q72 PolarHBondContact O-N 3.21Å; L68-A83 HydrophobicContact CD1-CB 3.97Å
69	S	92.3	Very high	93.5	Very high	34 Å²	34	34.1 Å²	34.1	24%	0.238	18%	0.175	C	C	.	.	H	α-helix	trans	-67.5	-41.2	176	-38.9	0	0	0	0	110.5	D67 Q72 V73 C106	D67-S69 PolarHBondContact O-N 2.95Å; D67-S69 VanDerWaalsContact OD1-CA 3.32Å; D67-S69 WeakPolarHBondContact OD1-CA 3.22Å; D67-S69 WeakPolarHBondContact OD1-CB 3.49Å; D67-S69 PolarHBondContact OD1-N 3.12Å; D67-S69 PolarHBondContact OD1-OG 3.39Å; S69-Q72 WeakPolarHBondContact O-CB 3.46Å; S69-Q72 PolarHBondContact O-N 3.49Å; S69-V73 PolarHBondContact O-N 2.86Å; S69-C106 WeakPolarHBondContact CB-O 3.48Å
70	D	93.3	Very high	92.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.5	-45.5	175.7	-51.4	-52.3	0	0	0	110.9	W66 D67 Q72 V73 V74 V104 C106	W66-D70 WeakPolarHBondContact CA-OD2 3.34Å; W66-D70 HydrophobicContact CD2-CB 4Å; W66-D70 HydrophobicContact CE3-CB 3.67Å; W66-D70 HydrophobicContact CH2-CB 3.88Å; W66-D70 HydrophobicContact CZ2-CB 4.19Å; W66-D70 HydrophobicContact CZ3-CB 3.61Å; D67-D70 PolarHBondContact N-OD2 3.13Å; D67-D70 PolarHBondContact O-N 3.47Å; D67-D70 VanDerWaalsContact O-N 3.16Å; D67-D70 PolarHBondContact OD1-N 3.19Å; D70-Q72 VanDerWaalsContact C-N 3.27Å; D70-Q72 PolarHBondContact O-N 2.71Å; D70-V73 PolarHBondContact O-N 3.03Å; D70-V73 VanDerWaalsContact O-N 3.15Å; D70-V74 PolarHBondContact O-N 2.69Å; D70-V104 HydrophobicContact CB-CG1 4.46Å; D70-C106 WeakPolarHBondContact OD1-CA 3.18Å; D70-C106 WeakPolarHBondContact OD1-CB 3.36Å; D70-C106 PolarHBondContact OD1-N 3.18Å; D70-C106 PolarHBondContact OD1-SG 3.39Å
71	A	95.6	Very high	92.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.3	-39.3	175.8	0	0	0	0	0	111.7	D67 V73 V74 C75 A83 A86 V134	D67-A71 PolarHBondContact O-N 3.35Å; D67-A71 VanDerWaalsContact O-N 3.09Å; A71-V73 VanDerWaalsContact C-N 3.34Å; A71-V73 PolarHBondContact O-N 3.13Å; A71-V74 PolarHBondContact O-N 2.82Å; A71-C75 WeakPolarHBondContact O-CB 3.4Å; A71-C75 PolarHBondContact O-N 2.9Å; A71-C75 PolarHBondContact O-SG 3.35Å; A71-C75 VanDerWaalsContact O-SG 3.35Å; A71-A83 VanDerWaalsContact C-CB 3.41Å; A71-A83 HydrophobicContact CB-CB 3.53Å; A71-A86 HydrophobicContact CB-CB 3.83Å; A71-V134 HydrophobicContact CB-CB 4.3Å; A71-V134 HydrophobicContact CB-CG1 3.59Å
72	Q	93.4	Very high	91.7	Very high	75 Å²	75	40.5 Å²	40.5	35%	0.35	21%	0.208	S	C	.	.	H	α-helix	trans	-60.3	-41.6	176.3	-89.2	172.3	-8.8	0	0	112.5	L68 S69 D70 R76 A83	L68-Q72 WeakPolarHBondContact O-CB 3.47Å; L68-Q72 WeakPolarHBondContact O-CG 3.41Å; L68-Q72 PolarHBondContact O-N 3.21Å; S69-Q72 WeakPolarHBondContact O-CB 3.46Å; S69-Q72 PolarHBondContact O-N 3.49Å; D70-Q72 VanDerWaalsContact C-N 3.27Å; D70-Q72 PolarHBondContact O-N 2.71Å; Q72-R76 WeakPolarHBondContact O-CB 3.32Å; Q72-R76 WeakPolarHBondContact O-CG 3.07Å; Q72-R76 PolarHBondContact O-N 3.26Å; Q72-A83 HydrophobicContact CG-CB 4.08Å
73	V	96.2	Very high	91.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-44.9	176.4	174.3	0	0	0	0	110.4	S69 D70 A71 Q77 C106 E110 K112	S69-V73 PolarHBondContact O-N 2.86Å; D70-V73 PolarHBondContact O-N 3.03Å; D70-V73 VanDerWaalsContact O-N 3.15Å; A71-V73 VanDerWaalsContact C-N 3.34Å; A71-V73 PolarHBondContact O-N 3.13Å; V73-Q77 VanDerWaalsContact O-CB 3.23Å; V73-Q77 WeakPolarHBondContact O-CB 3.36Å; V73-Q77 PolarHBondContact O-N 3.04Å; V73-C106 HydrophobicContact CG2-CB 3.87Å; V73-E110 HydrophobicContact CG1-CB 4.12Å; V73-E110 HydrophobicContact CG2-CB 3.95Å; V73-K112 VanDerWaalsContact CG1-C 3.45Å
74	V	96.4	Very high	91.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-50.6	176.6	170.9	0	0	0	0	111.8	V37 L39 V50 W66 D70 A71 R76 Q77 L78 L113 V134	V37-V74 HydrophobicContact CG1-CG1 3.88Å; L39-V74 HydrophobicContact CD2-CG1 4.26Å; V50-V74 HydrophobicContact CG1-CG1 4.3Å; V50-V74 HydrophobicContact CG1-CG2 4.08Å; V50-V74 HydrophobicContact CG2-CG1 4.08Å; V50-V74 HydrophobicContact CG2-CG2 4.43Å; W66-V74 HydrophobicContact CH2-CG2 3.75Å; W66-V74 HydrophobicContact CZ2-CG2 4.17Å; D70-V74 PolarHBondContact O-N 2.69Å; A71-V74 PolarHBondContact O-N 2.82Å; V74-R76 PolarHBondContact O-N 2.98Å; V74-Q77 PolarHBondContact O-N 3.09Å; V74-L78 HydrophobicContact CG1-CD1 3.82Å; V74-L78 WeakPolarHBondContact O-CG 3.37Å; V74-L78 PolarHBondContact O-N 3.05Å; V74-L113 HydrophobicContact CG2-CB 4.49Å; V74-L113 HydrophobicContact CG2-CD1 3.83Å; V74-L113 HydrophobicContact CG2-CD2 3.82Å; V74-L113 HydrophobicContact CG2-CG 4.27Å; V74-V134 HydrophobicContact CB-CG1 4.19Å; V74-V134 HydrophobicContact CG1-CG1 4.13Å; V74-V134 HydrophobicContact CG1-CG2 3.93Å
75	C	93.8	Very high	91.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-41.3	-177.1	-71.2	0	0	0	0	111.7	A71 L78 N79 F80 G82 A83 C136	A71-C75 WeakPolarHBondContact O-CB 3.4Å; A71-C75 PolarHBondContact O-N 2.9Å; A71-C75 PolarHBondContact O-SG 3.35Å; A71-C75 VanDerWaalsContact O-SG 3.35Å; C75-L78 CarbonylContact O-C 3.53Å; C75-L78 PolarHBondContact O-N 3.47Å; C75-N79 PolarHBondContact O-N 3.15Å; C75-F80 HydrophobicContact CB-CB 4.16Å; C75-F80 WeakPolarHBondContact O-CB 3.28Å; C75-F80 PolarHBondContact O-N 3.29Å; C75-G82 WeakPolarHBondContact CB-O 3.41Å; C75-A83 HydrophobicContact CB-CB 4.25Å; C75-C136 WeakPolarHBondContact CA-SG 3.14Å; C75-C136 HydrophobicContact CB-CB 3.7Å; C75-C136 WeakPolarHBondContact CB-SG 3.27Å; C75-C136 WeakPolarHBondContact SG-CA 3.31Å; C75-C136 WeakPolarHBondContact SG-CB 3.36Å; C75-C136 CovalentContact SG-SG 2.04Å; C75-C136 PolarHBondContact SG-SG 3.07Å
76	R	92.8	Very high	91.3	Very high	67 Å²	67	40.6 Å²	40.6	25%	0.253	21%	0.212	S	C	.	.	H	α-helix	trans	-64.5	-42	172.6	-79.6	172.5	38.4	-170.9	-12.3	112.7	Q72 V74 L78 N79 G108 Q109 E110	Q72-R76 WeakPolarHBondContact O-CB 3.32Å; Q72-R76 WeakPolarHBondContact O-CG 3.07Å; Q72-R76 PolarHBondContact O-N 3.26Å; V74-R76 PolarHBondContact O-N 2.98Å; R76-L78 PolarHBondContact O-N 3.31Å; R76-N79 WeakPolarHBondContact O-CA 3.48Å; R76-N79 PolarHBondContact O-N 3.4Å; R76-G108 PolarHBondContact NH1-O 2.77Å; R76-Q109 PolarHBondContact NH2-O 2.81Å; R76-E110 PolarHBondContact NH2-O 2.89Å
77	Q	93.5	Very high	91	Very high	35 Å²	35	40.1 Å²	40.1	16%	0.164	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-27.6	176.6	-176.2	175.2	-9.2	0	0	111.6	G35 V73 V74 N79 K112	G35-Q77 PolarHBondContact O-NE2 3.48Å; V73-Q77 VanDerWaalsContact O-CB 3.23Å; V73-Q77 WeakPolarHBondContact O-CB 3.36Å; V73-Q77 PolarHBondContact O-N 3.04Å; V74-Q77 PolarHBondContact O-N 3.09Å; Q77-N79 VanDerWaalsContact C-N 3.35Å; Q77-K112 VanDerWaalsContact OE1-CA 3.27Å
78	L	91.9	Very high	91.3	Very high	29 Å²	29	39.2 Å²	39.2	15%	0.152	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	6.2	174.2	-66.1	169.9	0	0	0	114.1	V37 L39 V74 C75 R76 F80	V37-L78 VanDerWaalsContact O-CD2 3.29Å; V37-L78 WeakPolarHBondContact O-CD2 3.08Å; L39-L78 HydrophobicContact CD1-CD1 3.81Å; L39-L78 HydrophobicContact CD2-CD1 3.79Å; L39-L78 HydrophobicContact CG-CD1 3.54Å; V74-L78 HydrophobicContact CG1-CD1 3.82Å; V74-L78 WeakPolarHBondContact O-CG 3.37Å; V74-L78 PolarHBondContact O-N 3.05Å; C75-L78 CarbonylContact O-C 3.53Å; C75-L78 PolarHBondContact O-N 3.47Å; R76-L78 PolarHBondContact O-N 3.31Å; L78-F80 HydrophobicContact CB-CD2 3.66Å; L78-F80 HydrophobicContact CB-CE2 3.74Å; L78-F80 HydrophobicContact CD1-CE2 4.43Å
79	N	88.8	Confident	91.4	Very high	106 Å²	106	43.3 Å²	43.3	57%	0.567	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.9	18.8	-179.3	-50.9	-68.4	0	0	0	116.4	C75 R76 Q77 I140 L141	C75-N79 PolarHBondContact O-N 3.15Å; R76-N79 WeakPolarHBondContact O-CA 3.48Å; R76-N79 PolarHBondContact O-N 3.4Å; Q77-N79 VanDerWaalsContact C-N 3.35Å; N79-I140 WeakPolarHBondContact O-CA 3.46Å; N79-L141 PolarHBondContact O-N 3.45Å; N79-L141 VanDerWaalsContact O-N 3.14Å
80	F	84.9	Confident	91.3	Very high	23 Å²	23	42.4 Å²	42.4	10%	0.101	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-81.8	156.2	167.9	-61.1	-71.9	0	0	0	111.2	P45 C75 L78 G82 C136 D137	P45-F80 WeakPolarHBondContact O-CZ 3.39Å; C75-F80 HydrophobicContact CB-CB 4.16Å; C75-F80 WeakPolarHBondContact O-CB 3.28Å; C75-F80 PolarHBondContact O-N 3.29Å; L78-F80 HydrophobicContact CB-CD2 3.66Å; L78-F80 HydrophobicContact CB-CE2 3.74Å; L78-F80 HydrophobicContact CD1-CE2 4.43Å; F80-G82 PolarHBondContact O-N 3.41Å; F80-C136 HydrophobicContact CB-CB 3.74Å; F80-C136 HydrophobicContact CD1-CB 4.15Å; F80-C136 HydrophobicContact CD2-CB 3.51Å; F80-C136 HydrophobicContact CE2-CB 4.13Å; F80-C136 HydrophobicContact CG-CB 3.52Å; F80-D137 WeakPolarHBondContact CB-O 3.47Å; F80-D137 WeakPolarHBondContact CD1-O 3.44Å
81	Q	83.8	Confident	91.2	Very high	99 Å²	99	50.3 Å²	50.3	46%	0.463	25%	0.247	S	C	.	.	S	Bend	trans	-62.4	-31.7	-179.4	-175.8	171.3	-5.6	0	0	113.2	D137 Q139 L141	Q81-D137 HydrophobicContact CB-CB 4.44Å; Q81-Q139 HydrophobicContact CB-CB 4.27Å; Q81-Q139 WeakPolarHBondContact CB-O 3.41Å; Q81-Q139 PolarHBondContact N-O 3.48Å; Q81-Q139 VanDerWaalsContact OE1-CB 3.28Å; Q81-Q139 VanDerWaalsContact OE1-OE1 3.1Å; Q81-L141 HydrophobicContact CB-CD2 4.21Å; Q81-L141 HydrophobicContact CG-CD2 4.18Å
82	G	84.4	Confident	91	Very high	15 Å²	15	51.5 Å²	51.5	16%	0.155	25%	0.252	C	S	.	.			trans	176.4	-175.6	177.8	0	0	0	0	0	111.8	C75 F80 C136 D137	C75-G82 WeakPolarHBondContact CB-O 3.41Å; F80-G82 PolarHBondContact O-N 3.41Å; G82-C136 WeakPolarHBondContact O-CA 3.44Å; G82-D137 PolarHBondContact O-N 3.21Å
83	A	90.1	Very high	90.9	Very high	16 Å²	16	49.7 Å²	49.7	13%	0.132	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.6	172.9	0	0	0	0	0	111.4	L68 A71 Q72 C75 I135	L68-A83 HydrophobicContact CD1-CB 3.97Å; A71-A83 VanDerWaalsContact C-CB 3.41Å; A71-A83 HydrophobicContact CB-CB 3.53Å; Q72-A83 HydrophobicContact CG-CB 4.08Å; C75-A83 HydrophobicContact CB-CB 4.25Å; A83-I135 CarbonylContact C-O 3.52Å
84	I	89	Confident	90.8	Very high	99 Å²	99	54.9 Å²	54.9	51%	0.508	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-39.8	167.4	-63.8	173.4	0	0	0	109.6	I135 D137	I84-I135 WeakPolarHBondContact CA-O 3.23Å; I84-I135 HydrophobicContact CB-CB 4.32Å; I84-I135 HydrophobicContact CB-CG2 4.03Å; I84-I135 HydrophobicContact CD1-CG2 4.22Å; I84-I135 HydrophobicContact CG2-CG2 4.38Å; I84-I135 PolarHBondContact N-O 3.27Å; I84-D137 HydrophobicContact CD1-CB 4.44Å; I84-D137 HydrophobicContact CG1-CB 4.28Å
85	D	89.4	Confident	90.5	Very high	67 Å²	67	55.2 Å²	55.2	36%	0.358	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	149.5	-175.5	-158.3	11.1	0	0	0	112.8	V87 V134 I135	D85-V87 HydrophobicContact CB-CG2 4.43Å; D85-V134 WeakPolarHBondContact O-CA 3.24Å; D85-I135 HydrophobicContact CB-CB 4.01Å; D85-I135 HydrophobicContact CB-CD1 4.02Å; D85-I135 HydrophobicContact CB-CG1 4.15Å; D85-I135 PolarHBondContact N-O 2.91Å; D85-I135 VanDerWaalsContact N-O 3.14Å; D85-I135 PolarHBondContact O-N 3.33Å
86	A	92.6	Very high	90.1	Very high	18 Å²	18	63.7 Å²	63.7	15%	0.149	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	112.2	169.6	0	0	0	0	0	108.2	D67 A71	D67-A86 VanDerWaalsContact O-CB 3.27Å; D67-A86 WeakPolarHBondContact O-CB 3.5Å; A71-A86 HydrophobicContact CB-CB 3.83Å
87	V	91.6	Very high	90	Very high	6 Å²	6	62.8 Å²	62.8	4%	0.036	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	133.2	-168.6	178.5	0	0	0	0	109.8	D85 R91 Y92 G133 I135	D85-V87 HydrophobicContact CB-CG2 4.43Å; V87-R91 HydrophobicContact CG1-CB 3.39Å; V87-R91 VanDerWaalsContact CG1-CD 3.48Å; V87-R91 HydrophobicContact CG1-CG 4.02Å; V87-Y92 HydrophobicContact CB-CE2 4.16Å; V87-Y92 HydrophobicContact CG1-CD2 4.24Å; V87-Y92 HydrophobicContact CG1-CE2 3.91Å; V87-Y92 HydrophobicContact CG2-CE2 4.08Å; V87-G133 PolarHBondContact N-O 3.35Å; V87-G133 PolarHBondContact O-N 2.56Å; V87-I135 HydrophobicContact CG2-CD1 4.13Å; V87-I135 HydrophobicContact CG2-CG1 3.84Å
88	T	93.4	Very high	89.9	Confident	56 Å²	56	62.7 Å²	62.7	34%	0.344	33%	0.333	S	S	.	.			trans	-117.6	174.2	-178.2	62	0	0	0	0	111	D63 A90	D63-T88 HydrophobicContact CB-CG2 3.84Å; D63-T88 VanDerWaalsContact OD2-CB 3.26Å; D63-T88 WeakPolarHBondContact OD2-CB 3.3Å; T88-A90 PolarHBondContact O-N 3.24Å
89	K	92.6	Very high	90.2	Very high	165 Å²	165	62 Å²	62	72%	0.717	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	40	172.1	-56.3	177.7	-177.8	176.7	0	114.6	D63 R91 Q129	D63-K89 WeakPolarHBondContact OD2-CA 3.13Å; D63-K89 PolarHBondContact OD2-N 2.73Å; K89-R91 PolarHBondContact O-N 3.48Å; K89-R91 VanDerWaalsContact O-N 3.07Å; K89-Q129 CarbonylContact C-O 3.56Å; K89-Q129 VanDerWaalsContact CA-O 3.23Å; K89-Q129 WeakPolarHBondContact CA-O 3.47Å
90	A	90.4	Very high	90.6	Very high	15 Å²	15	58 Å²	58	12%	0.124	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	38	175.9	0	0	0	0	0	113.9	T88 Y92 G93 Q94 H128 Q129 D131	T88-A90 PolarHBondContact O-N 3.24Å; A90-Y92 PolarHBondContact O-N 3.45Å; A90-Y92 VanDerWaalsContact O-N 3.1Å; A90-G93 WeakPolarHBondContact O-CA 3.48Å; A90-G93 PolarHBondContact O-N 3.29Å; A90-Q94 HydrophobicContact CB-CG 3.98Å; A90-H128 VanDerWaalsContact CB-O 3.24Å; A90-H128 WeakPolarHBondContact CB-O 3.45Å; A90-Q129 PolarHBondContact N-O 3.29Å; A90-D131 WeakPolarHBondContact CA-O 3.44Å; A90-D131 HydrophobicContact CB-CB 4.23Å; A90-D131 PolarHBondContact N-O 2.57Å
91	R	91.1	Very high	91.1	Very high	165 Å²	165	57 Å²	57	62%	0.623	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-34.2	-177.7	-178	176.9	176	167.7	-7	113.4	V87 K89 G93	V87-R91 HydrophobicContact CG1-CB 3.39Å; V87-R91 VanDerWaalsContact CG1-CD 3.48Å; V87-R91 HydrophobicContact CG1-CG 4.02Å; K89-R91 PolarHBondContact O-N 3.48Å; K89-R91 VanDerWaalsContact O-N 3.07Å; R91-G93 VanDerWaalsContact C-N 3.25Å; R91-G93 PolarHBondContact O-N 2.93Å
92	Y	91.4	Very high	91.7	Very high	26 Å²	26	52.3 Å²	52.3	10%	0.102	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	23.7	178	-62.7	-73.5	0	0	0	112.7	G41 E47 R49 V87 A90 I135	G41-Y92 WeakPolarHBondContact CA-O 3.49Å; E47-Y92 HydrophobicContact CB-CE1 4.33Å; E47-Y92 HydrophobicContact CG-CE1 4.33Å; E47-Y92 PolarHBondContact OE2-OH 3.27Å; R49-Y92 PolarHBondContact NH1-O 3.18Å; V87-Y92 HydrophobicContact CB-CE2 4.16Å; V87-Y92 HydrophobicContact CG1-CD2 4.24Å; V87-Y92 HydrophobicContact CG1-CE2 3.91Å; V87-Y92 HydrophobicContact CG2-CE2 4.08Å; A90-Y92 PolarHBondContact O-N 3.45Å; A90-Y92 VanDerWaalsContact O-N 3.1Å; Y92-I135 WeakPolarHBondContact OH-CG1 3.47Å
93	G	91.2	Very high	92.1	Very high	36 Å²	36	54.3 Å²	54.3	37%	0.371	29%	0.287	S	S	.	.			trans	82.7	163	-175.4	0	0	0	0	0	112.8	R49 A90 R91	R49-G93 WeakPolarHBondContact CD-O 3.25Å; R49-G93 PolarHBondContact NH1-O 3.28Å; A90-G93 WeakPolarHBondContact O-CA 3.48Å; A90-G93 PolarHBondContact O-N 3.29Å; R91-G93 VanDerWaalsContact C-N 3.25Å; R91-G93 PolarHBondContact O-N 2.93Å
94	Q	93	Very high	92.3	Very high	110 Å²	110	53.6 Å²	53.6	51%	0.514	28%	0.281	S	S	.	.			trans	-79.3	138.8	178.9	-65.4	-174.5	-153.7	0	0	111.1	A90 H128	A90-Q94 HydrophobicContact CB-CG 3.98Å; Q94-H128 HydrophobicContact CB-CB 3.83Å; Q94-H128 HydrophobicContact CG-CB 4.11Å; Q94-H128 WeakPolarHBondContact CG-O 3.49Å
95	A	91.6	Very high	92.4	Very high	6 Å²	6	50.8 Å²	50.8	5%	0.05	28%	0.277	C	S	.	.			trans	-70	169.4	169	0	0	0	0	0	111.3	H128 D131	A95-H128 PolarHBondContact O-CD2 2.94Å; A95-H128 VanDerWaalsContact O-CD2 3.3Å; A95-D131 WeakPolarHBondContact CB-OD2 3.47Å; A95-D131 PolarHBondContact N-OD2 3.09Å
96	H	84.9	Confident	92.6	Very high	179 Å²	179	48.2 Å²	48.2	83%	0.829	26%	0.264	S	S	*	.			trans	-127.5	122.5	171.1	-63.2	71.9	0	0	0	107.4
97	G	89.6	Confident	92.3	Very high	48 Å²	48	50.9 Å²	50.9	50%	0.495	28%	0.282	S	S	.	.	S	Bend	trans	125.6	-155.4	179.3	0	0	0	0	0	112.4	H128	G97-H128 PolarHBondContact O-CE1 3.21Å; G97-H128 PolarHBondContact O-NE2 2.79Å
98	P	93.4	Very high	92	Very high	33 Å²	33	51 Å²	51	21%	0.214	28%	0.284	C	S	.	.			trans	-73.5	149	179.9	29.6	-33	0	0	0	112.1	Q57 G59 S60 W100	Q57-P98 HydrophobicContact CG-CG 4.32Å; G59-P98 CarbonylContact C-O 3.14Å; G59-P98 WeakPolarHBondContact CA-O 3.46Å; S60-P98 PolarHBondContact N-O 3.05Å; P98-W100 HydrophobicContact CB-CD2 3.92Å; P98-W100 HydrophobicContact CB-CE3 3.93Å; P98-W100 HydrophobicContact CB-CH2 3.93Å; P98-W100 HydrophobicContact CB-CZ2 3.98Å; P98-W100 HydrophobicContact CB-CZ3 3.9Å; P98-W100 HydrophobicContact CG-CD2 3.92Å; P98-W100 HydrophobicContact CG-CE3 4.35Å; P98-W100 HydrophobicContact CG-CH2 3.89Å; P98-W100 HydrophobicContact CG-CZ2 3.45Å; P98-W100 VanDerWaalsContact CG-CZ2 3.45Å; P98-W100 HydrophobicContact CG-CZ3 4.31Å
99	I	96.3	Very high	91.5	Very high	13 Å²	13	55.4 Å²	55.4	7%	0.067	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	115.9	161.6	-56.8	175.4	0	0	0	106.2	S60 C62 N124 C126	S60-I99 CarbonylContact O-C 3.58Å; C62-I99 HydrophobicContact CB-CG2 4.12Å; I99-N124 HydrophobicContact CG2-CB 4.36Å; I99-N124 PolarHBondContact O-ND2 3.41Å; I99-C126 HydrophobicContact CD1-CB 4.03Å; I99-C126 WeakPolarHBondContact CD1-O 3.3Å
100	W	97.1	Very high	91.6	Very high	23 Å²	23	49.4 Å²	49.4	9%	0.087	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-34.2	-168.2	-81.4	147.9	0	0	0	115	I52 H54 Q57 G59 S60 P98 W121 G122	I52-W100 HydrophobicContact CG2-CB 3.65Å; I52-W100 HydrophobicContact CG2-CG 4.25Å; I52-W100 VanDerWaalsContact O-CD1 3.28Å; H54-W100 HydrophobicContact CB-CD2 4.11Å; H54-W100 HydrophobicContact CB-CG 4.17Å; H54-W100 HydrophobicContact CB-CZ2 4.22Å; Q57-W100 HydrophobicContact CG-CH2 4.4Å; Q57-W100 HydrophobicContact CG-CZ2 3.42Å; Q57-W100 VanDerWaalsContact CG-CZ2 3.42Å; Q57-W100 VanDerWaalsContact NE2-CH2 3.33Å; Q57-W100 PolarHBondContact O-NE1 2.86Å; G59-W100 VanDerWaalsContact N-CD1 3.26Å; S60-W100 PolarHBondContact O-N 3.01Å; P98-W100 HydrophobicContact CB-CD2 3.92Å; P98-W100 HydrophobicContact CB-CE3 3.93Å; P98-W100 HydrophobicContact CB-CH2 3.93Å; P98-W100 HydrophobicContact CB-CZ2 3.98Å; P98-W100 HydrophobicContact CB-CZ3 3.9Å; P98-W100 HydrophobicContact CG-CD2 3.92Å; P98-W100 HydrophobicContact CG-CE3 4.35Å; P98-W100 HydrophobicContact CG-CH2 3.89Å; P98-W100 HydrophobicContact CG-CZ2 3.45Å; P98-W100 VanDerWaalsContact CG-CZ2 3.45Å; P98-W100 HydrophobicContact CG-CZ3 4.31Å; W100-W121 HydrophobicContact CB-CE3 3.97Å; W100-W121 HydrophobicContact CB-CZ3 4.01Å; W100-W121 HydrophobicContact CG-CE3 4.38Å; W100-W121 HydrophobicContact CG-CZ3 4.46Å; W100-W121 WeakPolarHBondContact O-CA 3.27Å; W100-G122 PolarHBondContact O-N 3.16Å
101	L	96.7	Very high	91.4	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.016	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.4	-178.9	-62.6	178.9	0	0	0	109.8	I52 V61 C62 V104 L113 W121	I52-L101 HydrophobicContact CD1-CD1 3.69Å; I52-L101 HydrophobicContact CG2-CD1 4.36Å; I52-L101 HydrophobicContact CG2-CG 4.37Å; V61-L101 HydrophobicContact CG1-CB 4.07Å; V61-L101 HydrophobicContact CG2-CB 4.3Å; V61-L101 HydrophobicContact CG2-CD1 4.48Å; C62-L101 PolarHBondContact N-O 2.86Å; L101-V104 HydrophobicContact CB-CG2 3.79Å; L101-L113 HydrophobicContact CD1-CD2 4.11Å; L101-L113 HydrophobicContact CD1-CG 4.11Å; L101-W121 HydrophobicContact CD2-CD2 4.28Å; L101-W121 HydrophobicContact CD2-CE3 3.8Å; L101-W121 HydrophobicContact CD2-CH2 4.32Å; L101-W121 HydrophobicContact CD2-CZ3 3.82Å; L101-W121 HydrophobicContact CG-CE3 4.37Å; L101-W121 HydrophobicContact CG-CZ3 4.05Å
102	D	95.4	Very high	91.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.288	C	S	.	.			trans	-147.4	157	178.7	-166.5	11.3	0	0	0	109	C62 V104 S118 S119 N124 N125 C126	C62-D102 HydrophobicContact CB-CB 4.16Å; C62-D102 WeakPolarHBondContact CB-OD1 3.43Å; D102-V104 VanDerWaalsContact C-N 3.27Å; D102-V104 PolarHBondContact O-N 3.29Å; D102-S118 WeakPolarHBondContact O-CA 3.49Å; D102-S118 WeakPolarHBondContact O-CB 3.44Å; D102-S119 PolarHBondContact O-N 3.07Å; D102-N124 HydrophobicContact CB-CB 3.54Å; D102-N124 WeakPolarHBondContact OD2-CA 3.39Å; D102-N124 WeakPolarHBondContact OD2-CB 3.28Å; D102-N125 PolarHBondContact OD2-N 2.65Å; D102-C126 PolarHBondContact OD1-SG 3.37Å; D102-C126 PolarHBondContact OD2-SG 3.15Å
103	D	92.6	Very high	91.7	Very high	56 Å²	56	50.3 Å²	50.3	30%	0.299	28%	0.284	S	S	.	.	S	Bend	trans	46.4	49.4	-171.3	-58.1	-53.3	0	0	0	112	G105 S119	D103-G105 PolarHBondContact O-N 2.95Å; D103-S119 PolarHBondContact OD2-OG 3.01Å
104	V	95.5	Very high	91.8	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	28%	0.282	C	S	.	.			trans	-72.8	121.6	-177.6	-175.3	0	0	0	0	108.7	V61 W66 D70 L101 D102 L113 C116 R117	V61-V104 HydrophobicContact CG1-CG2 3.82Å; W66-V104 HydrophobicContact CE3-CB 4.1Å; W66-V104 HydrophobicContact CE3-CG2 4.48Å; W66-V104 HydrophobicContact CZ3-CB 4.09Å; W66-V104 HydrophobicContact CZ3-CG1 4.11Å; W66-V104 HydrophobicContact CZ3-CG2 4.3Å; D70-V104 HydrophobicContact CB-CG1 4.46Å; L101-V104 HydrophobicContact CB-CG2 3.79Å; D102-V104 VanDerWaalsContact C-N 3.27Å; D102-V104 PolarHBondContact O-N 3.29Å; V104-L113 HydrophobicContact CG1-CD1 3.92Å; V104-C116 HydrophobicContact CG1-CB 4.04Å; V104-R117 WeakPolarHBondContact CA-O 3.33Å
105	G	90.9	Very high	91.7	Very high	41 Å²	41	49.7 Å²	49.7	42%	0.423	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-128.5	85.4	179	0	0	0	0	0	111.5	D103 R117	D103-G105 PolarHBondContact O-N 2.95Å; G105-R117 PolarHBondContact N-O 2.91Å
106	C	94.4	Very high	91.9	Very high	12 Å²	12	49.9 Å²	49.9	8%	0.081	28%	0.284	C	S	.	.			trans	-81.4	152.1	172.1	-60.7	0	0	0	0	111.5	S69 D70 V73 G108 C116	S69-C106 WeakPolarHBondContact CB-O 3.48Å; D70-C106 WeakPolarHBondContact OD1-CA 3.18Å; D70-C106 WeakPolarHBondContact OD1-CB 3.36Å; D70-C106 PolarHBondContact OD1-N 3.18Å; D70-C106 PolarHBondContact OD1-SG 3.39Å; V73-C106 HydrophobicContact CG2-CB 3.87Å; C106-G108 VanDerWaalsContact C-N 3.31Å; C106-C116 VanDerWaalsContact CA-SG 3.58Å; C106-C116 HydrophobicContact CB-CB 3.95Å; C106-C116 WeakPolarHBondContact CB-SG 3.5Å; C106-C116 WeakPolarHBondContact SG-CB 3.38Å; C106-C116 CovalentContact SG-SG 2.02Å; C106-C116 PolarHBondContact SG-SG 2.94Å
107	S	85.1	Confident	92.3	Very high	75 Å²	75	51.4 Å²	51.4	52%	0.524	28%	0.282	S	S	.	.			trans	-85.5	-4.8	166.9	64.8	0	0	0	0	113.5	Q109 E110	S107-Q109 VanDerWaalsContact C-N 3.28Å; S107-E110 WeakPolarHBondContact CB-OE1 3.12Å; S107-E110 VanDerWaalsContact N-CD 3.29Å; S107-E110 PolarHBondContact N-OE1 3.23Å; S107-E110 PolarHBondContact N-OE2 2.86Å; S107-E110 PolarHBondContact OG-OE1 3.01Å; S107-E110 PolarHBondContact OG-OE2 3.02Å
108	G	85.6	Confident	92.5	Very high	7 Å²	7	51.2 Å²	51.2	7%	0.072	27%	0.274	C	S	.	.	S	Bend	trans	85.3	-3.3	-175.9	0	0	0	0	0	113.7	R76 C106 E110	R76-G108 PolarHBondContact NH1-O 2.77Å; C106-G108 VanDerWaalsContact C-N 3.31Å; G108-E110 PolarHBondContact N-OE2 2.65Å
109	Q	83.4	Confident	92.3	Very high	149 Å²	149	52.2 Å²	52.2	70%	0.696	28%	0.281	S	S	*	.			trans	-104.2	-17.8	-176.3	-62.6	-171.2	16.4	0	0	113.2	R76 S107	R76-Q109 PolarHBondContact NH2-O 2.81Å; S107-Q109 VanDerWaalsContact C-N 3.28Å
110	E	93.4	Very high	92	Very high	39 Å²	39	52.8 Å²	52.8	18%	0.182	29%	0.29	C	S	.	.			trans	-57	146.9	-178.9	-62.2	79.1	-173.9	0	0	111.6	V73 R76 S107 G108	V73-E110 HydrophobicContact CG1-CB 4.12Å; V73-E110 HydrophobicContact CG2-CB 3.95Å; R76-E110 PolarHBondContact NH2-O 2.89Å; S107-E110 WeakPolarHBondContact CB-OE1 3.12Å; S107-E110 VanDerWaalsContact N-CD 3.29Å; S107-E110 PolarHBondContact N-OE1 3.23Å; S107-E110 PolarHBondContact N-OE2 2.86Å; S107-E110 PolarHBondContact OG-OE1 3.01Å; S107-E110 PolarHBondContact OG-OE2 3.02Å; G108-E110 PolarHBondContact N-OE2 2.65Å
111	Q	86.6	Confident	91.9	Very high	141 Å²	141	56.1 Å²	56.1	66%	0.659	30%	0.303	S	S	*	.	S	Bend	trans	-83.7	-23.6	-179.9	-67.3	-61.9	-26.2	0	0	113
112	K	92.9	Very high	91.7	Very high	84 Å²	84	57.8 Å²	57.8	37%	0.365	32%	0.321	S	S	.	.	S	Bend	trans	-141.8	149.3	179.2	-63.6	-169.7	174.4	-162.8	0	110.2	V73 Q77 V114 S115	V73-K112 VanDerWaalsContact CG1-C 3.45Å; Q77-K112 VanDerWaalsContact OE1-CA 3.27Å; K112-V114 HydrophobicContact CB-CG2 3.88Å; K112-V114 HydrophobicContact CD-CG2 4.28Å; K112-V114 PolarHBondContact O-N 2.69Å; K112-S115 VanDerWaalsContact O-CB 3.3Å; K112-S115 WeakPolarHBondContact O-CB 3.19Å; K112-S115 PolarHBondContact O-N 2.93Å
113	L	95.6	Very high	91.6	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-58.9	-35.7	178.2	-166.7	62.8	0	0	0	112.3	V37 V50 I52 V61 W66 V74 L101 V104 S115 C116	V37-L113 HydrophobicContact CG2-CB 4.18Å; V37-L113 HydrophobicContact CG2-CD2 4.4Å; V50-L113 HydrophobicContact CG1-CD2 4.12Å; I52-L113 HydrophobicContact CD1-CB 4.32Å; I52-L113 HydrophobicContact CD1-CD2 4.31Å; V61-L113 HydrophobicContact CG2-CD2 4.03Å; W66-L113 HydrophobicContact CH2-CD1 4.02Å; W66-L113 HydrophobicContact CH2-CD2 4.15Å; W66-L113 HydrophobicContact CZ3-CD1 4.06Å; W66-L113 HydrophobicContact CZ3-CD2 4.38Å; V74-L113 HydrophobicContact CG2-CB 4.49Å; V74-L113 HydrophobicContact CG2-CD1 3.83Å; V74-L113 HydrophobicContact CG2-CD2 3.82Å; V74-L113 HydrophobicContact CG2-CG 4.27Å; L101-L113 HydrophobicContact CD1-CD2 4.11Å; L101-L113 HydrophobicContact CD1-CG 4.11Å; V104-L113 HydrophobicContact CG1-CD1 3.92Å; L113-S115 PolarHBondContact O-N 3.32Å; L113-S115 VanDerWaalsContact O-N 3.12Å; L113-C116 WeakPolarHBondContact O-CB 3.41Å; L113-C116 PolarHBondContact O-N 3.16Å; L113-C116 VanDerWaalsContact O-N 3.08Å
114	V	94.1	Very high	91.7	Very high	54 Å²	54	62 Å²	62	33%	0.327	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-64.1	-14.7	176	-58.3	0	0	0	0	114.7	G35 I52 K112 C116 W121	G35-V114 VanDerWaalsContact CA-CG1 3.43Å; I52-V114 HydrophobicContact CD1-CG1 3.46Å; I52-V114 VanDerWaalsContact CD1-CG1 3.46Å; I52-V114 HydrophobicContact CG1-CG1 4.45Å; K112-V114 HydrophobicContact CB-CG2 3.88Å; K112-V114 HydrophobicContact CD-CG2 4.28Å; K112-V114 PolarHBondContact O-N 2.69Å; V114-C116 VanDerWaalsContact C-N 3.34Å; V114-W121 HydrophobicContact CB-CH2 4.49Å; V114-W121 HydrophobicContact CB-CZ2 4.21Å; V114-W121 HydrophobicContact CG1-CH2 3.46Å; V114-W121 VanDerWaalsContact CG1-CH2 3.46Å; V114-W121 HydrophobicContact CG1-CZ2 3.58Å
115	S	91.5	Very high	91.5	Very high	78 Å²	78	67.8 Å²	67.8	55%	0.545	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-85.6	-10.3	177	-64.5	0	0	0	0	112.8	K112 L113	K112-S115 VanDerWaalsContact O-CB 3.3Å; K112-S115 WeakPolarHBondContact O-CB 3.19Å; K112-S115 PolarHBondContact O-N 2.93Å; L113-S115 PolarHBondContact O-N 3.32Å; L113-S115 VanDerWaalsContact O-N 3.12Å
116	C	94.1	Very high	91.6	Very high	10 Å²	10	66.5 Å²	66.5	7%	0.068	36%	0.362	C	S	.	.	S	Bend	trans	-79	157.9	177.3	-55	0	0	0	0	111.2	V104 C106 L113 V114	V104-C116 HydrophobicContact CG1-CB 4.04Å; C106-C116 VanDerWaalsContact CA-SG 3.58Å; C106-C116 HydrophobicContact CB-CB 3.95Å; C106-C116 WeakPolarHBondContact CB-SG 3.5Å; C106-C116 WeakPolarHBondContact SG-CB 3.38Å; C106-C116 CovalentContact SG-SG 2.02Å; C106-C116 PolarHBondContact SG-SG 2.94Å; L113-C116 WeakPolarHBondContact O-CB 3.41Å; L113-C116 PolarHBondContact O-N 3.16Å; L113-C116 VanDerWaalsContact O-N 3.08Å; V114-C116 VanDerWaalsContact C-N 3.34Å
117	R	93.4	Very high	91.6	Very high	211 Å²	211	67 Å²	67	80%	0.796	37%	0.369	S	S	*	.	B	Isolated β-bridge	trans	-64.8	137.5	171.1	-177.9	178.6	172.9	-167.2	-7.2	108.5	V104 G105	V104-R117 WeakPolarHBondContact CA-O 3.33Å; G105-R117 PolarHBondContact N-O 2.91Å
118	S	95	Very high	92.1	Very high	45 Å²	45	65.3 Å²	65.3	32%	0.315	35%	0.352	S	S	.	.			trans	-150.9	169.8	173.9	57.3	0	0	0	0	109.8	D102 G120	D102-S118 WeakPolarHBondContact O-CA 3.49Å; D102-S118 WeakPolarHBondContact O-CB 3.44Å; S118-G120 PolarHBondContact O-N 2.83Å
119	S	89.6	Confident	92.4	Very high	53 Å²	53	69.7 Å²	69.7	37%	0.371	37%	0.371	S	S	.	.	S	Bend	trans	-70.6	-6.1	175.2	-81.3	0	0	0	0	114.2	D102 D103 V123	D102-S119 PolarHBondContact O-N 3.07Å; D103-S119 PolarHBondContact OD2-OG 3.01Å; S119-V123 WeakPolarHBondContact O-CB 3.28Å
120	G	89.6	Confident	93	Very high	25 Å²	25	65.3 Å²	65.3	26%	0.258	35%	0.35	S	S	.	.			trans	103.2	160.1	177.5	0	0	0	0	0	112.9	S118 G122 V123	S118-G120 PolarHBondContact O-N 2.83Å; G120-G122 PolarHBondContact O-N 2.85Å; G120-G122 VanDerWaalsContact O-N 3.15Å; G120-V123 PolarHBondContact O-N 2.9Å; G120-V123 VanDerWaalsContact O-N 3.09Å
121	W	94.8	Very high	93.1	Very high	94 Å²	94	63.5 Å²	63.5	36%	0.356	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	117.8	-174	-66.9	112.1	0	0	0	112.9	I52 H54 W100 L101 V114 V123	I52-W121 HydrophobicContact CD1-CH2 3.88Å; I52-W121 HydrophobicContact CD1-CZ3 4.23Å; I52-W121 HydrophobicContact CG1-CH2 4.32Å; I52-W121 HydrophobicContact CG1-CZ3 4.5Å; I52-W121 HydrophobicContact CG2-CZ3 4.06Å; H54-W121 HydrophobicContact CB-CD2 4.45Å; H54-W121 HydrophobicContact CB-CE3 3.85Å; H54-W121 HydrophobicContact CB-CH2 4.2Å; H54-W121 HydrophobicContact CB-CZ3 3.72Å; H54-W121 AromaticContact CD2-CD2 3.92Å; H54-W121 AromaticContact CD2-CE3 3.93Å; H54-W121 AromaticContact CD2-CG 3.98Å; H54-W121 AromaticContact CE1-CD1 3.58Å; H54-W121 AromaticContact CE1-CD2 3.57Å; H54-W121 AromaticContact CE1-CE2 3.7Å; H54-W121 AromaticContact CE1-CG 3.49Å; H54-W121 VanDerWaalsContact CE1-CG 3.49Å; H54-W121 AromaticContact CE1-NE1 3.7Å; H54-W121 AromaticContact CG-CD2 3.75Å; H54-W121 AromaticContact CG-CE3 3.61Å; H54-W121 AromaticContact CG-CZ3 3.92Å; H54-W121 AromaticContact ND1-CD2 3.52Å; H54-W121 AromaticContact ND1-CE2 3.55Å; H54-W121 AromaticContact ND1-CE3 3.81Å; H54-W121 AromaticContact ND1-CG 3.95Å; H54-W121 AromaticContact ND1-CZ2 3.85Å; H54-W121 AromaticContact NE2-CD1 3.94Å; H54-W121 AromaticContact NE2-CD2 3.85Å; H54-W121 AromaticContact NE2-CG 3.52Å; W100-W121 HydrophobicContact CB-CE3 3.97Å; W100-W121 HydrophobicContact CB-CZ3 4.01Å; W100-W121 HydrophobicContact CG-CE3 4.38Å; W100-W121 HydrophobicContact CG-CZ3 4.46Å; W100-W121 WeakPolarHBondContact O-CA 3.27Å; L101-W121 HydrophobicContact CD2-CD2 4.28Å; L101-W121 HydrophobicContact CD2-CE3 3.8Å; L101-W121 HydrophobicContact CD2-CH2 4.32Å; L101-W121 HydrophobicContact CD2-CZ3 3.82Å; L101-W121 HydrophobicContact CG-CE3 4.37Å; L101-W121 HydrophobicContact CG-CZ3 4.05Å; V114-W121 HydrophobicContact CB-CH2 4.49Å; V114-W121 HydrophobicContact CB-CZ2 4.21Å; V114-W121 HydrophobicContact CG1-CH2 3.46Å; V114-W121 VanDerWaalsContact CG1-CH2 3.46Å; V114-W121 HydrophobicContact CG1-CZ2 3.58Å; W121-V123 PolarHBondContact O-N 3.39Å
122	G	91.3	Very high	93.6	Very high	37 Å²	37	56.8 Å²	56.8	38%	0.381	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	8.9	177.5	0	0	0	0	0	114.7	W100 G120	W100-G122 PolarHBondContact O-N 3.16Å; G120-G122 PolarHBondContact O-N 2.85Å; G120-G122 VanDerWaalsContact O-N 3.15Å
123	V	93.4	Very high	93.8	Very high	86 Å²	86	52.9 Å²	52.9	52%	0.521	29%	0.294	S	S	.	.			trans	-96.4	106.5	173.9	-179.1	0	0	0	0	107.4	S119 G120 W121	S119-V123 WeakPolarHBondContact O-CB 3.28Å; G120-V123 PolarHBondContact O-N 2.9Å; G120-V123 VanDerWaalsContact O-N 3.09Å; W121-V123 PolarHBondContact O-N 3.39Å
124	N	94.6	Very high	93.8	Very high	58 Å²	58	52.9 Å²	52.9	31%	0.31	29%	0.294	S	S	.	.			trans	-154.4	161.9	-179.6	65.2	84.4	0	0	0	111.6	I99 D102 C126	I99-N124 HydrophobicContact CG2-CB 4.36Å; I99-N124 PolarHBondContact O-ND2 3.41Å; D102-N124 HydrophobicContact CB-CB 3.54Å; D102-N124 WeakPolarHBondContact OD2-CA 3.39Å; D102-N124 WeakPolarHBondContact OD2-CB 3.28Å; N124-C126 PolarHBondContact OD1-N 2.74Å; N124-C126 PolarHBondContact OD1-O 3.01Å
125	N	91.5	Very high	93.8	Very high	123 Å²	123	51.8 Å²	51.8	66%	0.658	29%	0.286	S	S	*	.			trans	-116.4	17.3	168.7	57.5	-92.1	0	0	0	113.5	D102	D102-N125 PolarHBondContact OD2-N 2.65Å
126	C	94.6	Very high	93.8	Very high	15 Å²	15	48 Å²	48	10%	0.101	26%	0.26	C	S	.	.			trans	-92.4	155.1	-173.7	-52.7	0	0	0	0	113.1	C62 I99 D102 N124 E130	C62-C126 HydrophobicContact CB-CB 3.75Å; C62-C126 WeakPolarHBondContact CB-SG 3.47Å; C62-C126 WeakPolarHBondContact SG-CB 3.44Å; C62-C126 CovalentContact SG-SG 2.01Å; C62-C126 PolarHBondContact SG-SG 2.76Å; I99-C126 HydrophobicContact CD1-CB 4.03Å; I99-C126 WeakPolarHBondContact CD1-O 3.3Å; D102-C126 PolarHBondContact OD1-SG 3.37Å; D102-C126 PolarHBondContact OD2-SG 3.15Å; N124-C126 PolarHBondContact OD1-N 2.74Å; N124-C126 PolarHBondContact OD1-O 3.01Å; C126-E130 WeakPolarHBondContact CA-OE2 3.38Å; C126-E130 HydrophobicContact CB-CB 4.11Å
127	G	92.5	Very high	93.3	Very high	22 Å²	22	49.7 Å²	49.7	23%	0.227	27%	0.268	C	S	.	.			trans	-104.2	167.5	159.6	0	0	0	0	0	111.3	Q129 E130	G127-Q129 PolarHBondContact O-N 3.08Å; G127-E130 PolarHBondContact N-OE2 3.39Å; G127-E130 WeakPolarHBondContact O-CB 3.49Å; G127-E130 PolarHBondContact O-N 3.19Å
128	H	96.4	Very high	92.5	Very high	39 Å²	39	43.9 Å²	43.9	18%	0.181	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-63.8	-13.7	-177.6	-74.3	-55.2	0	0	0	114.9	S60 A90 Q94 A95 G97 E130 D131	S60-H128 PolarHBondContact OG-CE1 3.5Å; S60-H128 PolarHBondContact OG-ND1 3.03Å; A90-H128 VanDerWaalsContact CB-O 3.24Å; A90-H128 WeakPolarHBondContact CB-O 3.45Å; Q94-H128 HydrophobicContact CB-CB 3.83Å; Q94-H128 HydrophobicContact CG-CB 4.11Å; Q94-H128 WeakPolarHBondContact CG-O 3.49Å; A95-H128 PolarHBondContact O-CD2 2.94Å; A95-H128 VanDerWaalsContact O-CD2 3.3Å; G97-H128 PolarHBondContact O-CE1 3.21Å; G97-H128 PolarHBondContact O-NE2 2.79Å; H128-E130 PolarHBondContact O-N 3.42Å; H128-D131 IonicContact CG-OD1 3.15Å; H128-D131 IonicContact CG-OD2 2.94Å; H128-D131 IonicContact ND1-OD1 3.66Å; H128-D131 PolarHBondContact ND1-OD1 3.1Å; H128-D131 IonicContact ND1-OD2 3.51Å; H128-D131 PolarHBondContact ND1-OD2 3.19Å; H128-D131 WeakPolarHBondContact O-CB 3.4Å; H128-D131 PolarHBondContact O-N 3.11Å
129	Q	92	Very high	91.1	Very high	100 Å²	100	47.5 Å²	47.5	47%	0.467	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-62.6	-16.1	168.3	69.8	-76.1	-12.4	0	0	113.4	K89 A90 G127	K89-Q129 CarbonylContact C-O 3.56Å; K89-Q129 VanDerWaalsContact CA-O 3.23Å; K89-Q129 WeakPolarHBondContact CA-O 3.47Å; A90-Q129 PolarHBondContact N-O 3.29Å; G127-Q129 PolarHBondContact O-N 3.08Å
130	E	95.4	Very high	89.7	Confident	57 Å²	57	50.6 Å²	50.6	27%	0.266	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-103.8	17.9	178.4	-72.5	152.5	146.9	0	0	111.4	C62 D63 C126 G127 H128 A132	C62-E130 CarbonylContact C-O 3.21Å; C62-E130 WeakPolarHBondContact CA-O 3.42Å; D63-E130 WeakPolarHBondContact CB-O 3.42Å; D63-E130 PolarHBondContact N-O 2.69Å; D63-E130 VanDerWaalsContact OD1-CB 3.24Å; D63-E130 WeakPolarHBondContact OD1-CB 3.16Å; C126-E130 WeakPolarHBondContact CA-OE2 3.38Å; C126-E130 HydrophobicContact CB-CB 4.11Å; G127-E130 PolarHBondContact N-OE2 3.39Å; G127-E130 WeakPolarHBondContact O-CB 3.49Å; G127-E130 PolarHBondContact O-N 3.19Å; H128-E130 PolarHBondContact O-N 3.42Å; E130-A132 PolarHBondContact O-N 2.99Å
131	D	96.4	Very high	87.5	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-68	128.7	177.1	-72	-27.2	0	0	0	111.5	R49 S60 A90 A95 H128	R49-D131 HydrophobicContact CG-CB 4.08Å; S60-D131 WeakPolarHBondContact CB-OD1 3.27Å; S60-D131 PolarHBondContact OG-OD1 3.46Å; A90-D131 WeakPolarHBondContact CA-O 3.44Å; A90-D131 HydrophobicContact CB-CB 4.23Å; A90-D131 PolarHBondContact N-O 2.57Å; A95-D131 WeakPolarHBondContact CB-OD2 3.47Å; A95-D131 PolarHBondContact N-OD2 3.09Å; H128-D131 IonicContact CG-OD1 3.15Å; H128-D131 IonicContact CG-OD2 2.94Å; H128-D131 IonicContact ND1-OD1 3.66Å; H128-D131 PolarHBondContact ND1-OD1 3.1Å; H128-D131 IonicContact ND1-OD2 3.51Å; H128-D131 PolarHBondContact ND1-OD2 3.19Å; H128-D131 WeakPolarHBondContact O-CB 3.4Å; H128-D131 PolarHBondContact O-N 3.11Å
132	A	96.9	Very high	84.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.312	C	S	.	.			trans	-76.8	149.7	179	0	0	0	0	0	113.1	R49 V50 V61 D63 W66 E130	R49-A132 WeakPolarHBondContact CA-O 3.34Å; R49-A132 WeakPolarHBondContact CG-O 3.36Å; V50-A132 PolarHBondContact N-O 3.47Å; V61-A132 HydrophobicContact CB-CB 4.37Å; V61-A132 HydrophobicContact CG1-CB 4.39Å; V61-A132 WeakPolarHBondContact O-CB 3.41Å; V61-A132 PolarHBondContact O-N 2.94Å; D63-A132 HydrophobicContact CB-CB 4.12Å; W66-A132 HydrophobicContact CB-CB 4.49Å; W66-A132 HydrophobicContact CD2-CB 3.65Å; W66-A132 HydrophobicContact CE3-CB 4.17Å; W66-A132 HydrophobicContact CG-CB 3.78Å; W66-A132 HydrophobicContact CZ2-CB 4.32Å; E130-A132 PolarHBondContact O-N 2.99Å
133	G	96.8	Very high	82.4	Confident	2 Å²	2	64.2 Å²	64.2	2%	0.021	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	172.6	177.4	0	0	0	0	0	112.1	G48 W66 V87	G48-G133 CarbonylContact O-C 3.51Å; G48-G133 WeakPolarHBondContact O-CA 3.46Å; W66-G133 PolarHBondContact NE1-O 3.49Å; V87-G133 PolarHBondContact N-O 3.35Å; V87-G133 PolarHBondContact O-N 2.56Å
134	V	96.6	Very high	79.7	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	156	175.5	-61.2	0	0	0	0	111.3	L39 E47 G48 V50 W66 A71 V74 D85	L39-V134 HydrophobicContact CD1-CG2 3.9Å; L39-V134 HydrophobicContact CD2-CG2 3.45Å; L39-V134 VanDerWaalsContact CD2-CG2 3.45Å; L39-V134 HydrophobicContact CG-CG2 4.34Å; E47-V134 VanDerWaalsContact CA-O 3.26Å; E47-V134 WeakPolarHBondContact CA-O 3.42Å; E47-V134 WeakPolarHBondContact CB-O 3.43Å; G48-V134 PolarHBondContact N-O 3.11Å; G48-V134 VanDerWaalsContact N-O 3.08Å; G48-V134 PolarHBondContact O-N 3.4Å; V50-V134 HydrophobicContact CG2-CB 4.45Å; V50-V134 HydrophobicContact CG2-CG1 3.72Å; V50-V134 HydrophobicContact CG2-CG2 4.11Å; W66-V134 HydrophobicContact CZ2-CG1 3.8Å; A71-V134 HydrophobicContact CB-CB 4.3Å; A71-V134 HydrophobicContact CB-CG1 3.59Å; V74-V134 HydrophobicContact CB-CG1 4.19Å; V74-V134 HydrophobicContact CG1-CG1 4.13Å; V74-V134 HydrophobicContact CG1-CG2 3.93Å; D85-V134 WeakPolarHBondContact O-CA 3.24Å
135	I	93.3	Very high	76.8	Confident	31 Å²	31	73.5 Å²	73.5	16%	0.159	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.4	160.5	-55.5	177.8	0	0	0	106.7	E47 A83 I84 D85 V87 Y92	E47-I135 HydrophobicContact CB-CB 4.44Å; E47-I135 HydrophobicContact CB-CG1 4.14Å; E47-I135 HydrophobicContact CB-CG2 4.4Å; A83-I135 CarbonylContact C-O 3.52Å; I84-I135 WeakPolarHBondContact CA-O 3.23Å; I84-I135 HydrophobicContact CB-CB 4.32Å; I84-I135 HydrophobicContact CB-CG2 4.03Å; I84-I135 HydrophobicContact CD1-CG2 4.22Å; I84-I135 HydrophobicContact CG2-CG2 4.38Å; I84-I135 PolarHBondContact N-O 3.27Å; D85-I135 HydrophobicContact CB-CB 4.01Å; D85-I135 HydrophobicContact CB-CD1 4.02Å; D85-I135 HydrophobicContact CB-CG1 4.15Å; D85-I135 PolarHBondContact N-O 2.91Å; D85-I135 VanDerWaalsContact N-O 3.14Å; D85-I135 PolarHBondContact O-N 3.33Å; V87-I135 HydrophobicContact CG2-CD1 4.13Å; V87-I135 HydrophobicContact CG2-CG1 3.84Å; Y92-I135 WeakPolarHBondContact OH-CG1 3.47Å
136	C	90.7	Very high	74.2	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	150.7	179	-55.3	0	0	0	0	111.5	S46 C75 F80 G82 P138	S46-C136 WeakPolarHBondContact O-CA 3.49Å; S46-C136 WeakPolarHBondContact O-CB 3.44Å; S46-C136 PolarHBondContact O-N 3.49Å; C75-C136 WeakPolarHBondContact CA-SG 3.14Å; C75-C136 HydrophobicContact CB-CB 3.7Å; C75-C136 WeakPolarHBondContact CB-SG 3.27Å; C75-C136 WeakPolarHBondContact SG-CA 3.31Å; C75-C136 WeakPolarHBondContact SG-CB 3.36Å; C75-C136 CovalentContact SG-SG 2.04Å; C75-C136 PolarHBondContact SG-SG 3.07Å; F80-C136 HydrophobicContact CB-CB 3.74Å; F80-C136 HydrophobicContact CD1-CB 4.15Å; F80-C136 HydrophobicContact CD2-CB 3.51Å; F80-C136 HydrophobicContact CE2-CB 4.13Å; F80-C136 HydrophobicContact CG-CB 3.52Å; G82-C136 WeakPolarHBondContact O-CA 3.44Å; C136-P138 WeakPolarHBondContact O-CD 3.48Å
137	D	85.2	Confident	71.4	Confident	45 Å²	45	79.4 Å²	79.4	24%	0.241	42%	0.415	C	S	.	.			trans	-65.8	120.4	169.6	-170.8	-29.7	0	0	0	109.3	F80 Q81 G82 I84 Q139	F80-D137 WeakPolarHBondContact CB-O 3.47Å; F80-D137 WeakPolarHBondContact CD1-O 3.44Å; Q81-D137 HydrophobicContact CB-CB 4.44Å; G82-D137 PolarHBondContact O-N 3.21Å; I84-D137 HydrophobicContact CD1-CB 4.44Å; I84-D137 HydrophobicContact CG1-CB 4.28Å; D137-Q139 PolarHBondContact O-N 2.86Å; D137-Q139 WeakPolarHBondContact OD1-CG 3.38Å; D137-Q139 PolarHBondContact OD1-N 3.13Å
138	P	75.4	Confident	68.9	Low	88 Å²	88	84.3 Å²	84.3	57%	0.571	45%	0.446	S	S	*	.	S	Bend	trans	-64.1	-7.4	-177.1	25.4	-33.8	0	0	0	114.3	C136 I140	C136-P138 WeakPolarHBondContact O-CD 3.48Å; P138-I140 PolarHBondContact O-N 3.02Å
139	Q	67.2	Low	65.8	Low	121 Å²	121	86.4 Å²	86.4	57%	0.565	47%	0.47	S	S	*	.			trans	-69.2	114.3	169.2	-62.6	-172	39.4	0	0	110.9	Q81 D137	Q81-Q139 HydrophobicContact CB-CB 4.27Å; Q81-Q139 WeakPolarHBondContact CB-O 3.41Å; Q81-Q139 PolarHBondContact N-O 3.48Å; Q81-Q139 VanDerWaalsContact OE1-CB 3.28Å; Q81-Q139 VanDerWaalsContact OE1-OE1 3.1Å; D137-Q139 PolarHBondContact O-N 2.86Å; D137-Q139 WeakPolarHBondContact OD1-CG 3.38Å; D137-Q139 PolarHBondContact OD1-N 3.13Å
140	I	59.5	Low	63.3	Low	118 Å²	118	91.1 Å²	91.1	61%	0.605	49%	0.492	S	S	*	.	B	Isolated β-bridge	trans	-71.9	136.8	171.1	-61.9	173.8	0	0	0	108.6	N79 P138 K142	N79-I140 WeakPolarHBondContact O-CA 3.46Å; P138-I140 PolarHBondContact O-N 3.02Å; I140-K142 PolarHBondContact O-N 3.31Å
141	L	43.5	Very low	60.4	Low	91 Å²	91	99.7 Å²	99.7	48%	0.476	52%	0.522	S	S	.	.			trans	-56.3	102.5	175.4	-73.5	171.5	0	0	0	110.3	N79 Q81 I143	N79-L141 PolarHBondContact O-N 3.45Å; N79-L141 VanDerWaalsContact O-N 3.14Å; Q81-L141 HydrophobicContact CB-CD2 4.21Å; Q81-L141 HydrophobicContact CG-CD2 4.18Å; L141-I143 PolarHBondContact O-N 3.12Å
142	K	39.8	Very low	57.5	Low	181 Å²	181	104.2 Å²	104.2	79%	0.787	55%	0.55	S	S	*	.			trans	-72.6	115.4	166.9	-68	-178.9	-179.3	176.9	0	107	I140 Q144	I140-K142 PolarHBondContact O-N 3.31Å; K142-Q144 PolarHBondContact O-N 3.33Å
143	I	38.2	Very low	55.1	Low	171 Å²	171	108.8 Å²	108.8	88%	0.877	57%	0.571	S	S	*	*			trans	-60.1	104.5	167.3	-59.7	174.5	0	0	0	106.2	L141 D145	L141-I143 PolarHBondContact O-N 3.12Å; I143-D145 PolarHBondContact O-N 2.94Å
144	Q	36.3	Very low	52.4	Low	177 Å²	177	111.5 Å²	111.5	83%	0.827	59%	0.589	S	S	*	*			trans	-77.3	109.8	176	-76.4	-178.6	-25.1	0	0	108.1	K142	K142-Q144 PolarHBondContact O-N 3.33Å
145	D	35	Very low	50.3	Low	162 Å²	162	117.3 Å²	117.3	87%	0.866	62%	0.621	S	S	*	*			trans	-75.3	123.4	152.1	-110.8	-25.6	0	0	0	107.5	I143 S147	I143-D145 PolarHBondContact O-N 2.94Å; D145-S147 PolarHBondContact O-N 3.13Å
146	D	36	Very low	49.3	Very low	157 Å²	157	118 Å²	118	84%	0.84	63%	0.628	S	S	*	*			trans	-72	108.1	-176.9	-166.4	11.6	0	0	0	109.9
147	S	36.3	Very low	49	Very low	105 Å²	105	122.1 Å²	122.1	73%	0.734	65%	0.653	S	S	*	*			trans	-162.4	111.7	151.5	36.1	0	0	0	0	110.6	D145 A149	D145-S147 PolarHBondContact O-N 3.13Å; S147-A149 PolarHBondContact O-N 2.86Å; S147-A149 VanDerWaalsContact O-N 3.11Å
148	S	39.1	Very low	49.1	Very low	125 Å²	125	121.9 Å²	121.9	87%	0.874	65%	0.65	S	S	*	*			trans	-55.9	106.9	166.7	52.5	0	0	0	0	111.2
149	A	32.7	Very low	49.8	Very low	83 Å²	83	121.9 Å²	121.9	69%	0.686	65%	0.652	S	S	*	*			trans	-134.2	132.1	159.4	0	0	0	0	0	108.4	S147 R151	S147-A149 PolarHBondContact O-N 2.86Å; S147-A149 VanDerWaalsContact O-N 3.11Å; A149-R151 PolarHBondContact O-N 3.07Å
150	Q	39	Very low	50.9	Low	198 Å²	198	117.1 Å²	117.1	93%	0.925	63%	0.63	S	S	*	*			trans	-47	110.4	171.7	-76.8	163.4	-68.8	0	0	109.6	T152	Q150-T152 PolarHBondContact O-N 3.26Å; Q150-T152 VanDerWaalsContact O-N 3.09Å
151	R	34.9	Very low	52.4	Low	238 Å²	238	115.9 Å²	115.9	90%	0.898	63%	0.625	S	S	*	*			trans	-71.4	104.6	172.9	-74.3	-175.9	-165.8	169	6.9	108.4	A149	A149-R151 PolarHBondContact O-N 3.07Å
152	T	35.5	Very low	54.6	Low	96 Å²	96	113 Å²	113	59%	0.589	61%	0.609	S	S	*	*			trans	-60.2	134.7	151	39.4	0	0	0	0	107.9	Q150 S154	Q150-T152 PolarHBondContact O-N 3.26Å; Q150-T152 VanDerWaalsContact O-N 3.09Å; T152-S154 PolarHBondContact O-N 2.91Å; T152-S154 PolarHBondContact OG1-OG 3.3Å
153	Q	45.7	Very low	56.8	Low	96 Å²	96	105.7 Å²	105.7	45%	0.449	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-59	-7.6	-179	-159.7	163.8	-3.2	0	0	113.5	D155 S156 Y256	Q153-D155 VanDerWaalsContact C-N 3.29Å; Q153-D155 PolarHBondContact O-N 3.42Å; Q153-S156 PolarHBondContact O-OG 2.77Å; Q153-Y256 HydrophobicContact CG-CE2 4.22Å; Q153-Y256 WeakPolarHBondContact O-CD2 3.25Å; Q153-Y256 WeakPolarHBondContact O-CE2 3.43Å
154	S	41.3	Very low	59	Low	58 Å²	58	101.3 Å²	101.3	41%	0.406	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-61.9	-23.9	179.6	60.4	0	0	0	0	115.4	T152	T152-S154 PolarHBondContact O-N 2.91Å; T152-S154 PolarHBondContact OG1-OG 3.3Å
155	D	52.7	Low	61.2	Low	123 Å²	123	98 Å²	98	66%	0.658	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-107	10.4	-167.7	-65.2	4.4	0	0	0	113.2	Q153 V157	Q153-D155 VanDerWaalsContact C-N 3.29Å; Q153-D155 PolarHBondContact O-N 3.42Å; D155-V157 PolarHBondContact O-N 2.96Å; D155-V157 VanDerWaalsContact O-N 3.15Å
156	S	71.6	Confident	63.5	Low	44 Å²	44	94.6 Å²	94.6	31%	0.308	54%	0.535	S	S	.	.			trans	-70	112.2	173.4	54.6	0	0	0	0	110.1	Q153 Y256	Q153-S156 PolarHBondContact O-OG 2.77Å; S156-Y256 WeakPolarHBondContact OG-CE2 3.11Å
157	V	83.6	Confident	66	Low	88 Å²	88	87.3 Å²	87.3	53%	0.533	50%	0.497	S	S	.	.			trans	-90.8	119.3	175.7	-177.8	0	0	0	0	108.8	D155 N253 T255	D155-V157 PolarHBondContact O-N 2.96Å; D155-V157 VanDerWaalsContact O-N 3.15Å; V157-N253 HydrophobicContact CG1-CB 3.69Å; V157-T255 HydrophobicContact CG2-CG2 4.21Å
158	F	87.4	Confident	68.4	Low	40 Å²	40	89.8 Å²	89.8	18%	0.175	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	110.8	173.4	-58.3	-83.9	0	0	0	108.8	N253 V254 Y256 V281 K284	F158-N253 WeakPolarHBondContact O-CA 3.48Å; F158-V254 HydrophobicContact CB-CB 4.46Å; F158-V254 WeakPolarHBondContact CB-O 3.38Å; F158-V254 WeakPolarHBondContact CD2-O 3.21Å; F158-V254 PolarHBondContact N-O 2.85Å; F158-V254 PolarHBondContact O-N 2.88Å; F158-Y256 HydrophobicContact CE2-CD2 4.45Å; F158-Y256 HydrophobicContact CE2-CE1 4.17Å; F158-Y256 AromaticContact CE2-CE2 4Å; F158-Y256 HydrophobicContact CE2-CE2 4Å; F158-Y256 AromaticContact CE2-CZ 3.84Å; F158-Y256 HydrophobicContact CZ-CE1 4.45Å; F158-Y256 HydrophobicContact CZ-CE2 4.26Å; F158-Y256 AromaticContact CZ-CZ 3.88Å; F158-V281 HydrophobicContact CB-CG1 4.4Å; F158-V281 HydrophobicContact CB-CG2 3.95Å; F158-V281 HydrophobicContact CD1-CG2 4.4Å; F158-V281 HydrophobicContact CD2-CG1 3.43Å; F158-V281 VanDerWaalsContact CD2-CG1 3.43Å; F158-V281 HydrophobicContact CD2-CG2 4.38Å; F158-V281 HydrophobicContact CE2-CG1 3.79Å; F158-V281 HydrophobicContact CG-CG1 3.9Å; F158-V281 HydrophobicContact CG-CG2 3.99Å; F158-K284 HydrophobicContact CE1-CD 3.96Å; F158-K284 HydrophobicContact CZ-CD 4.28Å
159	S	90.4	Very high	70.8	Confident	88 Å²	88	88.6 Å²	88.6	62%	0.615	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	117.2	175.6	-159	0	0	0	0	109.5	N253	S159-N253 WeakPolarHBondContact CA-OD1 3.45Å; S159-N253 WeakPolarHBondContact CB-OD1 3.23Å; S159-N253 PolarHBondContact OG-OD1 2.96Å
160	L	91.1	Very high	73.5	Confident	21 Å²	21	86.7 Å²	86.7	11%	0.11	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.4	176.1	-59.1	-177.2	0	0	0	108.6	Q251 I252 V254 L274 D277 V278	L160-Q251 WeakPolarHBondContact O-CA 3.5Å; L160-I252 HydrophobicContact CB-CG2 4.15Å; L160-I252 HydrophobicContact CD1-CG2 4.47Å; L160-I252 PolarHBondContact N-O 2.96Å; L160-I252 PolarHBondContact O-N 3.16Å; L160-V254 HydrophobicContact CD1-CG2 3.69Å; L160-V254 HydrophobicContact CG-CG2 4.12Å; L160-L274 HydrophobicContact CD1-CD1 3.88Å; L160-D277 HydrophobicContact CD1-CB 4.07Å; L160-D277 HydrophobicContact CD2-CB 4.22Å; L160-V278 HydrophobicContact CD1-CG2 3.78Å
161	D	90.3	Very high	75.8	Confident	92 Å²	92	77.3 Å²	77.3	49%	0.492	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	112	-178.4	-168.3	-4.2	0	0	0	111.1	S163 Q251	D161-S163 WeakPolarHBondContact OD1-CA 3.4Å; D161-S163 WeakPolarHBondContact OD1-CB 3.49Å; D161-S163 PolarHBondContact OD1-N 3.35Å; D161-S163 PolarHBondContact OD1-OG 2.93Å; D161-S163 PolarHBondContact OD2-OG 2.84Å; D161-Q251 HydrophobicContact CB-CG 4.25Å; D161-Q251 VanDerWaalsContact CG-NE2 3.33Å; D161-Q251 WeakPolarHBondContact OD1-CG 3.17Å; D161-Q251 PolarHBondContact OD1-NE2 3.48Å; D161-Q251 VanDerWaalsContact OD1-NE2 3.12Å; D161-Q251 PolarHBondContact OD2-NE2 3.35Å; D161-Q251 VanDerWaalsContact OD2-NE2 3.09Å
162	H	90.1	Very high	78.4	Confident	29 Å²	29	71 Å²	71	13%	0.134	40%	0.398	C	S	.	.			trans	-118.7	22.1	172.2	-48.8	117.6	0	0	0	111.2	Y246 R250 D277	H162-Y246 AromaticContact ND1-CE2 3.53Å; H162-Y246 AromaticContact ND1-CZ 3.64Å; H162-Y246 PolarHBondContact ND1-OH 3Å; H162-R250 VanDerWaalsContact C-CB 3.47Å; H162-R250 CarbonylContact C-O 3.5Å; H162-R250 WeakPolarHBondContact CA-O 3.23Å; H162-R250 HydrophobicContact CB-CB 4.01Å; H162-R250 WeakPolarHBondContact CB-O 3.08Å; H162-R250 PolarHBondContact N-O 3.49Å; H162-R250 WeakPolarHBondContact O-CB 3.21Å; H162-D277 IonicContact CD2-OD2 2.72Å; H162-D277 IonicContact CE1-OD2 3.33Å; H162-D277 IonicContact NE2-OD2 3.99Å; H162-D277 PolarHBondContact NE2-OD2 2.86Å
163	S	86.8	Confident	81	Confident	29 Å²	29	69.8 Å²	69.8	20%	0.203	39%	0.387	C	S	.	.			trans	-59.8	155.1	-175.9	62	0	0	0	0	112.7	D161 Q251	D161-S163 WeakPolarHBondContact OD1-CA 3.4Å; D161-S163 WeakPolarHBondContact OD1-CB 3.49Å; D161-S163 PolarHBondContact OD1-N 3.35Å; D161-S163 PolarHBondContact OD1-OG 2.93Å; D161-S163 PolarHBondContact OD2-OG 2.84Å; S163-Q251 PolarHBondContact OG-NE2 2.97Å
164	T	83.3	Confident	83.2	Confident	79 Å²	79	66.4 Å²	66.4	49%	0.485	37%	0.371	S	S	.	.			trans	-124	174.5	171.7	64.1	0	0	0	0	108.1	L166 S167	T164-L166 PolarHBondContact O-N 2.91Å; T164-S167 PolarHBondContact N-OG 2.93Å; T164-S167 VanDerWaalsContact O-CB 3.29Å; T164-S167 WeakPolarHBondContact O-CB 3.42Å; T164-S167 PolarHBondContact O-N 2.8Å; T164-S167 PolarHBondContact O-OG 3.06Å; T164-S167 PolarHBondContact OG1-OG 3.03Å
165	T	82.1	Confident	85.5	Confident	107 Å²	107	68.1 Å²	68.1	66%	0.656	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.3	-176.5	53.6	0	0	0	0	114.7
166	L	84.1	Confident	87.3	Confident	90 Å²	90	65 Å²	65	47%	0.471	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-6.2	178.2	-76.5	95.8	0	0	0	114	T164 E168 D169 L170	T164-L166 PolarHBondContact O-N 2.91Å; L166-E168 VanDerWaalsContact C-N 3.3Å; L166-E168 PolarHBondContact O-N 2.89Å; L166-D169 PolarHBondContact O-N 2.99Å; L166-L170 HydrophobicContact CB-CD1 4.35Å; L166-L170 HydrophobicContact CB-CG 4.44Å; L166-L170 VanDerWaalsContact O-CG 3.32Å; L166-L170 WeakPolarHBondContact O-CG 3.41Å; L166-L170 PolarHBondContact O-N 3.1Å
167	S	87.2	Confident	87.8	Confident	4 Å²	4	65 Å²	65	3%	0.028	37%	0.369	C	S	.	.	H	α-helix	trans	-64	-32.8	-168.6	-73.9	0	0	0	0	113.9	T164 G171 T249	T164-S167 PolarHBondContact N-OG 2.93Å; T164-S167 VanDerWaalsContact O-CB 3.29Å; T164-S167 WeakPolarHBondContact O-CB 3.42Å; T164-S167 PolarHBondContact O-N 2.8Å; T164-S167 PolarHBondContact O-OG 3.06Å; T164-S167 PolarHBondContact OG1-OG 3.03Å; S167-G171 PolarHBondContact O-N 2.78Å; S167-T249 VanDerWaalsContact CB-O 3.23Å; S167-T249 WeakPolarHBondContact CB-O 3.46Å; S167-T249 PolarHBondContact OG-O 2.94Å
168	E	87.3	Confident	87.9	Confident	158 Å²	158	65.1 Å²	65.1	74%	0.738	37%	0.37	S	S	*	.	H	α-helix	trans	-69.4	-47.5	177	-168.6	171.4	-173	0	0	111.3	L166 L170 G171 I172	L166-E168 VanDerWaalsContact C-N 3.3Å; L166-E168 PolarHBondContact O-N 2.89Å; E168-L170 VanDerWaalsContact C-N 3.33Å; E168-L170 PolarHBondContact O-N 3.09Å; E168-G171 WeakPolarHBondContact O-CA 3.44Å; E168-G171 PolarHBondContact O-N 3.21Å; E168-G171 VanDerWaalsContact O-N 3.09Å; E168-I172 PolarHBondContact O-N 2.98Å
169	D	89.2	Confident	87.7	Confident	100 Å²	100	67.7 Å²	67.7	54%	0.535	40%	0.399	S	S	.	.	H	α-helix	trans	-60.8	-41.4	176.3	-69.6	-30.5	0	0	0	111.8	L166 G171 I172 I173	L166-D169 PolarHBondContact O-N 2.99Å; D169-G171 VanDerWaalsContact C-N 3.31Å; D169-G171 PolarHBondContact O-N 2.72Å; D169-I172 PolarHBondContact O-N 2.77Å; D169-I173 WeakPolarHBondContact O-CG1 3.31Å; D169-I173 PolarHBondContact O-N 3.07Å; D169-I173 VanDerWaalsContact O-N 3.09Å
170	L	89.5	Confident	87.7	Confident	43 Å²	43	65.2 Å²	65.2	23%	0.225	38%	0.381	C	S	.	.	H	α-helix	trans	-65	-36.3	175.2	-68.7	177.4	0	0	0	111.7	L166 E168 I173 Y174 I212 Y248	L166-L170 HydrophobicContact CB-CD1 4.35Å; L166-L170 HydrophobicContact CB-CG 4.44Å; L166-L170 VanDerWaalsContact O-CG 3.32Å; L166-L170 WeakPolarHBondContact O-CG 3.41Å; L166-L170 PolarHBondContact O-N 3.1Å; E168-L170 VanDerWaalsContact C-N 3.33Å; E168-L170 PolarHBondContact O-N 3.09Å; L170-I173 HydrophobicContact CD2-CD1 4.39Å; L170-I173 PolarHBondContact O-N 2.99Å; L170-Y174 PolarHBondContact O-N 3.36Å; L170-I212 HydrophobicContact CD2-CD1 3.77Å; L170-I212 HydrophobicContact CD2-CG1 4.47Å; L170-Y248 HydrophobicContact CB-CD1 4.23Å; L170-Y248 VanDerWaalsContact O-CD1 3.26Å; L170-Y248 WeakPolarHBondContact O-CD1 3.33Å
171	G	88.4	Confident	87.7	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.01	40%	0.399	C	S	.	.	H	α-helix	trans	-59.6	-46.6	172.4	0	0	0	0	0	112.3	S167 E168 D169 I173 Y174 D175 T249	S167-G171 PolarHBondContact O-N 2.78Å; E168-G171 WeakPolarHBondContact O-CA 3.44Å; E168-G171 PolarHBondContact O-N 3.21Å; E168-G171 VanDerWaalsContact O-N 3.09Å; D169-G171 VanDerWaalsContact C-N 3.31Å; D169-G171 PolarHBondContact O-N 2.72Å; G171-I173 VanDerWaalsContact C-N 3.29Å; G171-I173 PolarHBondContact O-N 3.36Å; G171-Y174 WeakPolarHBondContact O-CB 3.34Å; G171-Y174 PolarHBondContact O-N 3.09Å; G171-D175 WeakPolarHBondContact O-CB 3.48Å; G171-D175 PolarHBondContact O-N 3.49Å; G171-T249 VanDerWaalsContact CA-CG2 3.41Å
172	I	89.4	Confident	87.7	Confident	106 Å²	106	64.1 Å²	64.1	54%	0.544	38%	0.376	S	S	.	.	H	α-helix	trans	-60	-41.1	176.8	-64.1	167.8	0	0	0	110.9	E168 D169 D175 S176	E168-I172 PolarHBondContact O-N 2.98Å; D169-I172 PolarHBondContact O-N 2.77Å; I172-D175 PolarHBondContact O-N 3.28Å; I172-S176 VanDerWaalsContact O-CB 3.3Å; I172-S176 WeakPolarHBondContact O-CB 3.35Å; I172-S176 PolarHBondContact O-N 3.22Å
173	I	89.5	Confident	87.7	Confident	70 Å²	70	66.4 Å²	66.4	36%	0.359	39%	0.388	S	S	.	.	H	α-helix	trans	-61.3	-47.1	176.8	-70.3	167.7	0	0	0	110.7	D169 L170 G171 S176 G177 H209	D169-I173 WeakPolarHBondContact O-CG1 3.31Å; D169-I173 PolarHBondContact O-N 3.07Å; D169-I173 VanDerWaalsContact O-N 3.09Å; L170-I173 HydrophobicContact CD2-CD1 4.39Å; L170-I173 PolarHBondContact O-N 2.99Å; G171-I173 VanDerWaalsContact C-N 3.29Å; G171-I173 PolarHBondContact O-N 3.36Å; I173-S176 PolarHBondContact O-N 3.44Å; I173-S176 PolarHBondContact O-OG 3.25Å; I173-G177 PolarHBondContact O-N 2.98Å; I173-H209 WeakPolarHBondContact CG2-CE1 3.24Å
174	Y	91.4	Very high	88	Confident	25 Å²	25	65 Å²	65	10%	0.098	38%	0.379	C	S	.	.	H	α-helix	trans	-60	-50.5	175.7	177.8	-101.5	0	0	0	112	L170 G171 S176 G177 I206 T241 I244 R245 Y248	L170-Y174 PolarHBondContact O-N 3.36Å; G171-Y174 WeakPolarHBondContact O-CB 3.34Å; G171-Y174 PolarHBondContact O-N 3.09Å; Y174-S176 PolarHBondContact O-N 2.9Å; Y174-G177 PolarHBondContact O-N 3.21Å; Y174-G177 VanDerWaalsContact O-N 3.09Å; Y174-I206 HydrophobicContact CE2-CG2 4.08Å; Y174-T241 PolarHBondContact OH-O 3.38Å; Y174-I244 HydrophobicContact CD2-CG2 4.44Å; Y174-I244 HydrophobicContact CE2-CB 4.41Å; Y174-I244 HydrophobicContact CE2-CG2 3.56Å; Y174-R245 HydrophobicContact CD1-CB 3.93Å; Y174-R245 HydrophobicContact CD1-CG 3.69Å; Y174-R245 HydrophobicContact CE1-CB 3.56Å; Y174-R245 HydrophobicContact CE1-CG 3.8Å; Y174-Y248 AromaticContact CD2-CD2 3.83Å; Y174-Y248 HydrophobicContact CD2-CD2 3.83Å; Y174-Y248 HydrophobicContact CD2-CE1 4.28Å; Y174-Y248 AromaticContact CD2-CE2 3.48Å; Y174-Y248 HydrophobicContact CD2-CE2 3.48Å; Y174-Y248 VanDerWaalsContact CD2-CE2 3.48Å; Y174-Y248 HydrophobicContact CD2-CG 4.41Å; Y174-Y248 AromaticContact CD2-CZ 3.73Å; Y174-Y248 HydrophobicContact CE2-CE2 4.15Å; Y174-Y248 HydrophobicContact CG-CD2 4.08Å; Y174-Y248 HydrophobicContact CG-CE2 4.16Å; Y174-Y248 HydrophobicContact CG-CG 4.29Å
175	D	91.2	Very high	88.3	Confident	94 Å²	94	62.5 Å²	62.5	50%	0.503	36%	0.363	S	S	.	.	H	α-helix	trans	-65	-26.5	-177.2	-64.4	-28.9	0	0	0	111.5	G171 I172 R245	G171-D175 WeakPolarHBondContact O-CB 3.48Å; G171-D175 PolarHBondContact O-N 3.49Å; I172-D175 PolarHBondContact O-N 3.28Å; D175-R245 IonicContact OD1-CZ 3.72Å; D175-R245 IonicContact OD1-NE 3Å; D175-R245 PolarHBondContact OD1-NE 2.78Å; D175-R245 IonicContact OD1-NH2 3.93Å; D175-R245 IonicContact OD2-CZ 3.95Å; D175-R245 IonicContact OD2-NE 3.56Å; D175-R245 PolarHBondContact OD2-NE 2.78Å; D175-R245 IonicContact OD2-NH2 3.22Å; D175-R245 PolarHBondContact OD2-NH2 3.42Å
176	S	89	Confident	88.7	Confident	58 Å²	58	57.4 Å²	57.4	41%	0.406	33%	0.332	S	S	.	.	H	α-helix	trans	-72.5	-25.5	175.5	80.1	0	0	0	0	114.2	I172 I173 Y174 T178	I172-S176 VanDerWaalsContact O-CB 3.3Å; I172-S176 WeakPolarHBondContact O-CB 3.35Å; I172-S176 PolarHBondContact O-N 3.22Å; I173-S176 PolarHBondContact O-N 3.44Å; I173-S176 PolarHBondContact O-OG 3.25Å; Y174-S176 PolarHBondContact O-N 2.9Å; S176-T178 PolarHBondContact O-N 3.43Å; S176-T178 VanDerWaalsContact O-N 3.08Å; S176-T178 PolarHBondContact OG-N 3.37Å; S176-T178 PolarHBondContact OG-OG1 2.91Å
177	G	83.7	Confident	88.8	Confident	42 Å²	42	56.2 Å²	56.2	43%	0.433	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	11.4	-173.2	0	0	0	0	0	115.2	I173 Y174	I173-G177 PolarHBondContact O-N 2.98Å; Y174-G177 PolarHBondContact O-N 3.21Å; Y174-G177 VanDerWaalsContact O-N 3.09Å
178	T	85.3	Confident	88.6	Confident	91 Å²	91	56 Å²	56	56%	0.558	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	138.5	-176.2	60.7	0	0	0	0	111.5	S176 C180 H209	S176-T178 PolarHBondContact O-N 3.43Å; S176-T178 VanDerWaalsContact O-N 3.08Å; S176-T178 PolarHBondContact OG-N 3.37Å; S176-T178 PolarHBondContact OG-OG1 2.91Å; T178-C180 PolarHBondContact O-N 3.48Å; T178-H209 PolarHBondContact O-NE2 3.46Å
179	A	83.4	Confident	87.7	Confident	94 Å²	94	53 Å²	53	78%	0.777	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	23.6	174.8	0	0	0	0	0	116.3	H209	A179-H209 PolarHBondContact O-CD2 2.86Å
180	C	89.1	Confident	86.2	Confident	36 Å²	36	50.5 Å²	50.5	24%	0.243	31%	0.306	C	S	.	.			trans	-67.7	137.9	170.2	60.2	0	0	0	0	111.2	T178 C207 A208	T178-C180 PolarHBondContact O-N 3.48Å; C180-C207 HydrophobicContact CB-CB 3.87Å; C180-C207 WeakPolarHBondContact CB-SG 3.19Å; C180-C207 WeakPolarHBondContact SG-CB 3.43Å; C180-C207 CovalentContact SG-SG 2.02Å; C180-C207 PolarHBondContact SG-SG 2.96Å; C180-A208 WeakPolarHBondContact CB-O 3.45Å
181	D	90.7	Very high	84.4	Confident	89 Å²	89	52.5 Å²	52.5	48%	0.476	34%	0.336	S	S	.	.			trans	-127.2	8.2	-171.5	62.9	-17.6	0	0	0	112.9	A208 H209 K210	D181-A208 PolarHBondContact N-O 3.45Å; D181-A208 VanDerWaalsContact N-O 3.09Å; D181-H209 VanDerWaalsContact OD1-CA 3.31Å; D181-H209 WeakPolarHBondContact OD1-CA 3.33Å; D181-K210 WeakPolarHBondContact OD1-CB 3.4Å; D181-K210 PolarHBondContact OD1-N 3.45Å
182	F	90.8	Very high	82.5	Confident	1 Å²	1	56.1 Å²	56.1	0%	0.004	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	135.6	-178.7	-161.7	-90.3	0	0	0	111.8	I184 A208 K210 L213 F219 E225 N226 I228	F182-I184 HydrophobicContact CD1-CG1 3.94Å; F182-I184 HydrophobicContact CE1-CG1 4.01Å; F182-A208 PolarHBondContact N-O 3.5Å; F182-A208 PolarHBondContact O-N 3.34Å; F182-K210 HydrophobicContact CB-CB 4.2Å; F182-K210 HydrophobicContact CD2-CB 4.33Å; F182-K210 HydrophobicContact CD2-CD 4.17Å; F182-K210 HydrophobicContact CD2-CG 4.11Å; F182-L213 HydrophobicContact CB-CD1 4.19Å; F182-L213 HydrophobicContact CD1-CD1 3.37Å; F182-L213 HydrophobicContact CE1-CD1 3.92Å; F182-L213 HydrophobicContact CG-CD1 3.93Å; F182-F219 HydrophobicContact CE1-CD1 4.44Å; F182-E225 VanDerWaalsContact CE2-O 3.29Å; F182-E225 WeakPolarHBondContact CE2-O 2.95Å; F182-N226 WeakPolarHBondContact CA-O 3.48Å; F182-I228 HydrophobicContact CE1-CB 4.12Å; F182-I228 HydrophobicContact CE1-CG2 3.66Å; F182-I228 HydrophobicContact CZ-CB 4.06Å; F182-I228 HydrophobicContact CZ-CG2 4.09Å
183	L	91.4	Very high	80.3	Confident	77 Å²	77	59.2 Å²	59.2	40%	0.403	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.8	179.9	-62	176.6	0	0	0	111.5	T205 C207 N226 N227 I228	L183-T205 HydrophobicContact CB-CG2 4.23Å; L183-T205 HydrophobicContact CD2-CG2 4.31Å; L183-C207 HydrophobicContact CD2-CB 4.11Å; L183-N226 PolarHBondContact N-O 3.03Å; L183-N227 HydrophobicContact CB-CB 4.07Å; L183-N227 CarbonylContact O-C 3.55Å; L183-N227 WeakPolarHBondContact O-CA 3.31Å; L183-I228 PolarHBondContact O-N 3.37Å
184	I	91.8	Very high	78.6	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.6	175.2	-52.2	173.2	0	0	0	108.2	F182 F186 T205 I206 A208 L213 F219 I228 V230 I244	F182-I184 HydrophobicContact CD1-CG1 3.94Å; F182-I184 HydrophobicContact CE1-CG1 4.01Å; I184-F186 HydrophobicContact CB-CE2 4.31Å; I184-F186 HydrophobicContact CG2-CD2 4.08Å; I184-F186 HydrophobicContact CG2-CE2 3.5Å; I184-F186 VanDerWaalsContact CG2-CE2 3.5Å; I184-F186 HydrophobicContact CG2-CZ 3.92Å; I184-T205 CarbonylContact O-C 3.6Å; I184-T205 WeakPolarHBondContact O-CA 3.48Å; I184-I206 PolarHBondContact N-O 2.69Å; I184-I206 PolarHBondContact O-N 2.76Å; I184-A208 HydrophobicContact CD1-CB 4.28Å; I184-L213 HydrophobicContact CD1-CD1 3.87Å; I184-L213 HydrophobicContact CD1-CD2 4.18Å; I184-L213 HydrophobicContact CG1-CD1 4.3Å; I184-F219 HydrophobicContact CD1-CE1 3.9Å; I184-F219 HydrophobicContact CD1-CZ 4.21Å; I184-F219 HydrophobicContact CG1-CE1 4.39Å; I184-I228 HydrophobicContact CB-CG2 4.3Å; I184-I228 HydrophobicContact CG1-CG2 4.12Å; I184-I228 HydrophobicContact CG2-CG2 3.97Å; I184-V230 HydrophobicContact CG2-CG2 3.99Å; I184-I244 HydrophobicContact CD1-CD1 3.59Å; I184-I244 HydrophobicContact CD1-CG1 4.16Å; I184-I244 HydrophobicContact CD1-CG2 4.38Å
185	T	90.8	Very high	76.7	Confident	27 Å²	27	69.6 Å²	69.6	17%	0.166	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	110.6	179.1	-54.3	0	0	0	0	109.8	Q187 I228 T229 V230	T185-Q187 HydrophobicContact CG2-CG 4.21Å; T185-I228 PolarHBondContact N-O 3.37Å; T185-T229 CarbonylContact O-C 3.44Å; T185-T229 VanDerWaalsContact O-CA 3.28Å; T185-T229 WeakPolarHBondContact O-CA 3.44Å; T185-V230 PolarHBondContact O-N 3.03Å
186	F	89.1	Confident	74.8	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	118.7	171.4	-70.1	-89.5	0	0	0	109.5	I184 T203 N204 I206 V230 V232 I244 L265 F269	I184-F186 HydrophobicContact CB-CE2 4.31Å; I184-F186 HydrophobicContact CG2-CD2 4.08Å; I184-F186 HydrophobicContact CG2-CE2 3.5Å; I184-F186 VanDerWaalsContact CG2-CE2 3.5Å; I184-F186 HydrophobicContact CG2-CZ 3.92Å; F186-T203 CarbonylContact O-C 3.53Å; F186-T203 VanDerWaalsContact O-CA 3.28Å; F186-T203 WeakPolarHBondContact O-CA 3.5Å; F186-N204 HydrophobicContact CB-CB 4.4Å; F186-N204 PolarHBondContact N-O 3.36Å; F186-N204 PolarHBondContact O-N 3.22Å; F186-I206 HydrophobicContact CD2-CD1 4.2Å; F186-I206 HydrophobicContact CE2-CD1 3.85Å; F186-V230 CarbonylContact C-O 3.55Å; F186-V230 VanDerWaalsContact CA-O 3.31Å; F186-V230 WeakPolarHBondContact CA-O 3.38Å; F186-V230 HydrophobicContact CD1-CB 4.02Å; F186-V230 HydrophobicContact CD1-CG1 4.21Å; F186-V230 HydrophobicContact CE1-CB 4.08Å; F186-V230 HydrophobicContact CE1-CG1 4.05Å; F186-V232 HydrophobicContact CB-CG2 4.15Å; F186-V232 HydrophobicContact CD1-CB 4.47Å; F186-V232 HydrophobicContact CD1-CG1 3.63Å; F186-V232 HydrophobicContact CD1-CG2 3.97Å; F186-V232 HydrophobicContact CE1-CG1 4.07Å; F186-I244 HydrophobicContact CE2-CD1 4.41Å; F186-I244 HydrophobicContact CE2-CG1 4.07Å; F186-I244 HydrophobicContact CZ-CD1 4.06Å; F186-I244 HydrophobicContact CZ-CG1 4.07Å; F186-L265 HydrophobicContact CE1-CD2 4.43Å; F186-F269 HydrophobicContact CE1-CZ 4.05Å; F186-F269 HydrophobicContact CZ-CZ 4Å
187	Q	87.3	Confident	73	Confident	64 Å²	64	71.4 Å²	71.4	30%	0.299	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	137	178	-73.8	-173.4	-22.2	0	0	111.1	T185 T203 T229 V230 S231 V232	T185-Q187 HydrophobicContact CG2-CG 4.21Å; Q187-T203 HydrophobicContact CG-CG2 3.95Å; Q187-T229 HydrophobicContact CB-CG2 4.17Å; Q187-T229 HydrophobicContact CG-CG2 3.53Å; Q187-V230 PolarHBondContact N-O 3.09Å; Q187-S231 WeakPolarHBondContact O-CA 3.47Å; Q187-V232 PolarHBondContact O-N 2.67Å
188	T	82.8	Confident	71.2	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.006	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120.9	178.5	23.4	0	0	0	0	110	N190 E201 T202 V232 N233 T234 Q237	T188-N190 PolarHBondContact O-N 3.01Å; T188-E201 WeakPolarHBondContact O-CA 3.43Å; T188-T202 WeakPolarHBondContact CB-OG1 3.33Å; T188-T202 PolarHBondContact N-O 2.89Å; T188-T202 PolarHBondContact O-N 3.45Å; T188-T202 VanDerWaalsContact O-N 3.14Å; T188-T202 PolarHBondContact OG1-O 3.3Å; T188-T202 PolarHBondContact OG1-OG1 3.21Å; T188-V232 HydrophobicContact CG2-CG2 3.79Å; T188-V232 WeakPolarHBondContact CG2-O 3.34Å; T188-N233 VanDerWaalsContact CG2-C 3.49Å; T188-T234 VanDerWaalsContact CG2-CA 3.49Å; T188-T234 HydrophobicContact CG2-CG2 3.87Å; T188-Q237 HydrophobicContact CG2-CB 4.22Å; T188-Q237 VanDerWaalsContact OG1-CD 3.24Å; T188-Q237 PolarHBondContact OG1-NE2 2.93Å; T188-Q237 VanDerWaalsContact OG1-NE2 3.17Å; T188-Q237 PolarHBondContact OG1-OE1 3.27Å; T188-Q237 VanDerWaalsContact OG1-OE1 3.07Å
189	S	67.6	Low	69.7	Low	94 Å²	94	71.5 Å²	71.5	66%	0.657	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	100.5	174.2	23.7	0	0	0	0	109.4
190	N	58.2	Low	68.4	Low	48 Å²	48	71.4 Å²	71.4	26%	0.257	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	130.4	166.8	-81.7	-34.3	0	0	0	108.2	T188 T192 E200 T234	T188-N190 PolarHBondContact O-N 3.01Å; N190-T192 WeakPolarHBondContact CB-OG1 3.11Å; N190-T192 PolarHBondContact O-N 3.15Å; N190-E200 WeakPolarHBondContact CB-O 3.33Å; N190-E200 PolarHBondContact N-O 3.35Å; N190-T234 WeakPolarHBondContact OD1-CG2 3.43Å
191	G	51.7	Low	67.1	Low	84 Å²	84	75.3 Å²	75.3	87%	0.866	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	4.3	174.5	0	0	0	0	0	114.6
192	T	47.8	Very low	66.3	Low	78 Å²	78	73.4 Å²	73.4	48%	0.479	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	114.8	171.7	43.5	0	0	0	0	109.5	N190 E200	N190-T192 WeakPolarHBondContact CB-OG1 3.11Å; N190-T192 PolarHBondContact O-N 3.15Å; T192-E200 PolarHBondContact O-N 3.49Å; T192-E200 PolarHBondContact OG1-OE2 2.84Å
193	K	44	Very low	65.9	Low	170 Å²	170	77.2 Å²	77.2	74%	0.739	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	130.9	172.1	-62.7	-178.2	179.9	-176.7	0	108.5
194	Q	53.8	Low	65.6	Low	97 Å²	97	76.1 Å²	76.1	45%	0.453	43%	0.434	S	S	.	.			trans	-62.1	163.2	162.7	-75.1	175	-23	0	0	109.9	D196 G197 T198 E200	Q194-D196 PolarHBondContact O-N 3.38Å; Q194-G197 PolarHBondContact O-N 3.34Å; Q194-T198 PolarHBondContact N-O 2.91Å; Q194-T198 PolarHBondContact OE1-OG1 2.86Å; Q194-T198 VanDerWaalsContact OE1-OG1 3.12Å; Q194-E200 HydrophobicContact CG-CB 4.28Å; Q194-E200 HydrophobicContact CG-CG 4.45Å
195	E	51.3	Low	65.6	Low	216 Å²	216	79.8 Å²	79.8	100%	1.009	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-15.6	178.2	-72.6	-174.4	159.4	0	0	113.7
196	D	50.4	Low	65.6	Low	143 Å²	143	79 Å²	79	77%	0.765	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	3.9	175.7	-160.4	26.1	0	0	0	114.1	Q194 T198	Q194-D196 PolarHBondContact O-N 3.38Å; D196-T198 VanDerWaalsContact C-N 3.31Å; D196-T198 PolarHBondContact O-N 3.1Å
197	G	51.6	Low	65.7	Low	48 Å²	48	81.5 Å²	81.5	50%	0.495	47%	0.468	S	S	.	.	S	Bend	trans	80.5	-0.1	178.1	0	0	0	0	0	115.8	Q194	Q194-G197 PolarHBondContact O-N 3.34Å
198	T	45.5	Very low	65.9	Low	64 Å²	64	78.4 Å²	78.4	39%	0.393	45%	0.453	S	S	.	.			trans	-79.8	138	171.9	41.1	0	0	0	0	111.6	Q194 D196	Q194-T198 PolarHBondContact N-O 2.91Å; Q194-T198 PolarHBondContact OE1-OG1 2.86Å; Q194-T198 VanDerWaalsContact OE1-OG1 3.12Å; D196-T198 VanDerWaalsContact C-N 3.31Å; D196-T198 PolarHBondContact O-N 3.1Å
199	P	54.1	Low	66.4	Low	71 Å²	71	79.4 Å²	79.4	46%	0.461	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	136.9	172.7	-15	27.8	0	0	0	110.5	E201	P199-E201 PolarHBondContact O-N 3.44Å; P199-E201 VanDerWaalsContact O-N 3.07Å
200	E	56.5	Low	67.4	Low	91 Å²	91	76.8 Å²	76.8	43%	0.425	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	99.5	174.2	-163.7	172.9	-162.2	0	0	109.7	N190 T192 Q194	N190-E200 WeakPolarHBondContact CB-O 3.33Å; N190-E200 PolarHBondContact N-O 3.35Å; T192-E200 PolarHBondContact O-N 3.49Å; T192-E200 PolarHBondContact OG1-OE2 2.84Å; Q194-E200 HydrophobicContact CG-CB 4.28Å; Q194-E200 HydrophobicContact CG-CG 4.45Å
201	E	62.3	Low	68.8	Low	118 Å²	118	78.1 Å²	78.1	55%	0.551	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	117	-179.7	-71.3	-178.2	-176.8	0	0	110.8	T188 P199	T188-E201 WeakPolarHBondContact O-CA 3.43Å; P199-E201 PolarHBondContact O-N 3.44Å; P199-E201 VanDerWaalsContact O-N 3.07Å
202	T	73.4	Confident	70.6	Confident	49 Å²	49	75.1 Å²	75.1	30%	0.301	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.3	170.7	37.8	0	0	0	0	108.4	T188 Q237	T188-T202 WeakPolarHBondContact CB-OG1 3.33Å; T188-T202 PolarHBondContact N-O 2.89Å; T188-T202 PolarHBondContact O-N 3.45Å; T188-T202 VanDerWaalsContact O-N 3.14Å; T188-T202 PolarHBondContact OG1-O 3.3Å; T188-T202 PolarHBondContact OG1-OG1 3.21Å; T202-Q237 PolarHBondContact O-NE2 3.25Å
203	T	82	Confident	72.5	Confident	82 Å²	82	71.4 Å²	71.4	50%	0.503	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.9	-178.8	64.9	0	0	0	0	111	F186 Q187	F186-T203 CarbonylContact O-C 3.53Å; F186-T203 VanDerWaalsContact O-CA 3.28Å; F186-T203 WeakPolarHBondContact O-CA 3.5Å; Q187-T203 HydrophobicContact CG-CG2 3.95Å
204	N	86.1	Confident	74.6	Confident	54 Å²	54	65.7 Å²	65.7	29%	0.289	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	118.7	173	-176.2	29	0	0	0	108.9	F186 Q237 S240	F186-N204 HydrophobicContact CB-CB 4.4Å; F186-N204 PolarHBondContact N-O 3.36Å; F186-N204 PolarHBondContact O-N 3.22Å; N204-Q237 HydrophobicContact CB-CG 4.34Å; N204-S240 PolarHBondContact ND2-OG 3.32Å
205	T	90.4	Very high	76.1	Confident	76 Å²	76	67.1 Å²	67.1	47%	0.466	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.7	-177.9	-53.4	0	0	0	0	110.3	L183 I184	L183-T205 HydrophobicContact CB-CG2 4.23Å; L183-T205 HydrophobicContact CD2-CG2 4.31Å; I184-T205 CarbonylContact O-C 3.6Å; I184-T205 WeakPolarHBondContact O-CA 3.48Å
206	I	91.6	Very high	77.8	Confident	12 Å²	12	58.1 Å²	58.1	6%	0.062	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.2	-180	-60.3	177.1	0	0	0	109	Y174 I184 F186 I244	Y174-I206 HydrophobicContact CE2-CG2 4.08Å; I184-I206 PolarHBondContact N-O 2.69Å; I184-I206 PolarHBondContact O-N 2.76Å; F186-I206 HydrophobicContact CD2-CD1 4.2Å; F186-I206 HydrophobicContact CE2-CD1 3.85Å; I206-I244 HydrophobicContact CD1-CB 4.45Å; I206-I244 HydrophobicContact CD1-CG1 4.02Å; I206-I244 HydrophobicContact CG2-CB 4.44Å; I206-I244 HydrophobicContact CG2-CG2 4.04Å
207	C	91.2	Very high	79.3	Confident	51 Å²	51	55.5 Å²	55.5	35%	0.345	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	132.5	173.6	-154	0	0	0	0	110.4	C180 L183	C180-C207 HydrophobicContact CB-CB 3.87Å; C180-C207 WeakPolarHBondContact CB-SG 3.19Å; C180-C207 WeakPolarHBondContact SG-CB 3.43Å; C180-C207 CovalentContact SG-SG 2.02Å; C180-C207 PolarHBondContact SG-SG 2.96Å; L183-C207 HydrophobicContact CD2-CB 4.11Å
208	A	92.2	Very high	81	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	173.6	-175.4	0	0	0	0	0	111.5	C180 D181 F182 I184 L213 Y248	C180-A208 WeakPolarHBondContact CB-O 3.45Å; D181-A208 PolarHBondContact N-O 3.45Å; D181-A208 VanDerWaalsContact N-O 3.09Å; F182-A208 PolarHBondContact N-O 3.5Å; F182-A208 PolarHBondContact O-N 3.34Å; I184-A208 HydrophobicContact CD1-CB 4.28Å; A208-L213 HydrophobicContact CB-CD1 3.8Å; A208-L213 HydrophobicContact CB-CD2 4.41Å; A208-L213 HydrophobicContact CB-CG 4.25Å; A208-Y248 WeakPolarHBondContact CA-OH 3.39Å; A208-Y248 WeakPolarHBondContact CB-OH 3.47Å
209	H	91.9	Very high	82.9	Confident	22 Å²	22	53.2 Å²	53.2	10%	0.102	30%	0.297	C	S	.	.			trans	-103.4	117.6	-176.3	-55.3	84.1	0	0	0	110	I173 T178 A179 D181 A211 I212 L213 Y248	I173-H209 WeakPolarHBondContact CG2-CE1 3.24Å; T178-H209 PolarHBondContact O-NE2 3.46Å; A179-H209 PolarHBondContact O-CD2 2.86Å; D181-H209 VanDerWaalsContact OD1-CA 3.31Å; D181-H209 WeakPolarHBondContact OD1-CA 3.33Å; H209-A211 PolarHBondContact O-N 3.37Å; H209-I212 HydrophobicContact CB-CB 4.43Å; H209-I212 HydrophobicContact CB-CD1 4.05Å; H209-I212 HydrophobicContact CB-CG1 4.32Å; H209-I212 PolarHBondContact O-N 3.04Å; H209-L213 PolarHBondContact O-N 3.43Å; H209-Y248 PolarHBondContact N-OH 2.81Å; H209-Y248 AromaticContact ND1-CE1 3.48Å; H209-Y248 WeakPolarHBondContact ND1-CE1 3.44Å; H209-Y248 AromaticContact ND1-CZ 3.65Å; H209-Y248 PolarHBondContact ND1-OH 3.29Å
210	K	89.1	Confident	84.1	Confident	39 Å²	39	52.4 Å²	52.4	17%	0.17	29%	0.293	C	S	.	.	H	α-helix	trans	-53.6	-41.6	179.1	-166.5	168.7	-177.4	165.5	0	111.3	D181 F182 I212 L213 M214 V223 E225 N226	D181-K210 WeakPolarHBondContact OD1-CB 3.4Å; D181-K210 PolarHBondContact OD1-N 3.45Å; F182-K210 HydrophobicContact CB-CB 4.2Å; F182-K210 HydrophobicContact CD2-CB 4.33Å; F182-K210 HydrophobicContact CD2-CD 4.17Å; F182-K210 HydrophobicContact CD2-CG 4.11Å; K210-I212 PolarHBondContact O-N 3.22Å; K210-L213 PolarHBondContact O-N 3.02Å; K210-M214 HydrophobicContact CD-CE 4.26Å; K210-M214 VanDerWaalsContact CE-CE 3.5Å; K210-M214 HydrophobicContact CG-CE 3.74Å; K210-M214 HydrophobicContact CG-CG 4.01Å; K210-M214 WeakPolarHBondContact O-CB 3.23Å; K210-M214 WeakPolarHBondContact O-CG 3.49Å; K210-M214 PolarHBondContact O-N 3.3Å; K210-V223 WeakPolarHBondContact CE-O 3.26Å; K210-V223 PolarHBondContact NZ-O 3.4Å; K210-E225 PolarHBondContact NZ-O 3.48Å; K210-N226 PolarHBondContact NZ-OD1 3.35Å
211	A	87.9	Confident	84.9	Confident	75 Å²	75	52.1 Å²	52.1	62%	0.62	31%	0.307	S	S	*	.	H	α-helix	trans	-57.9	-30.8	178.4	0	0	0	0	0	114	H209	H209-A211 PolarHBondContact O-N 3.37Å
212	I	88.5	Confident	85.4	Confident	21 Å²	21	47.6 Å²	47.6	11%	0.108	29%	0.288	C	S	.	.	H	α-helix	trans	-88.5	-44	179.4	-65.4	168.3	0	0	0	110	L170 H209 K210 M214 L215 Y248	L170-I212 HydrophobicContact CD2-CD1 3.77Å; L170-I212 HydrophobicContact CD2-CG1 4.47Å; H209-I212 HydrophobicContact CB-CB 4.43Å; H209-I212 HydrophobicContact CB-CD1 4.05Å; H209-I212 HydrophobicContact CB-CG1 4.32Å; H209-I212 PolarHBondContact O-N 3.04Å; K210-I212 PolarHBondContact O-N 3.22Å; I212-M214 VanDerWaalsContact C-N 3.28Å; I212-M214 PolarHBondContact O-N 3.19Å; I212-L215 VanDerWaalsContact O-CB 3.32Å; I212-L215 WeakPolarHBondContact O-CB 3.24Å; I212-L215 WeakPolarHBondContact O-CG 3.34Å; I212-L215 PolarHBondContact O-N 2.88Å; I212-Y248 HydrophobicContact CB-CE1 4.28Å; I212-Y248 HydrophobicContact CD1-CD1 3.53Å; I212-Y248 HydrophobicContact CD1-CE1 3.2Å; I212-Y248 HydrophobicContact CG1-CE1 4.3Å; I212-Y248 HydrophobicContact CG2-CD1 4.14Å; I212-Y248 HydrophobicContact CG2-CD2 4.43Å; I212-Y248 HydrophobicContact CG2-CE1 4.11Å; I212-Y248 HydrophobicContact CG2-CE2 4.34Å; I212-Y248 HydrophobicContact CG2-CG 4.32Å
213	L	89.1	Confident	85.1	Confident	1 Å²	1	50 Å²	50	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-61.1	-37.3	179	-65	179.1	0	0	0	112.4	F182 I184 A208 H209 K210 L215 Y216 F219 L247	F182-L213 HydrophobicContact CB-CD1 4.19Å; F182-L213 HydrophobicContact CD1-CD1 3.37Å; F182-L213 HydrophobicContact CE1-CD1 3.92Å; F182-L213 HydrophobicContact CG-CD1 3.93Å; I184-L213 HydrophobicContact CD1-CD1 3.87Å; I184-L213 HydrophobicContact CD1-CD2 4.18Å; I184-L213 HydrophobicContact CG1-CD1 4.3Å; A208-L213 HydrophobicContact CB-CD1 3.8Å; A208-L213 HydrophobicContact CB-CD2 4.41Å; A208-L213 HydrophobicContact CB-CG 4.25Å; H209-L213 PolarHBondContact O-N 3.43Å; K210-L213 PolarHBondContact O-N 3.02Å; L213-L215 PolarHBondContact O-N 3.23Å; L213-Y216 WeakPolarHBondContact O-CB 3.36Å; L213-Y216 PolarHBondContact O-N 3.01Å; L213-F219 HydrophobicContact CB-CB 3.94Å; L213-F219 HydrophobicContact CB-CD1 4.37Å; L213-F219 HydrophobicContact CB-CD2 4.26Å; L213-F219 HydrophobicContact CB-CG 3.93Å; L213-F219 HydrophobicContact CD1-CD1 4.29Å; L213-F219 HydrophobicContact CD2-CD2 4.3Å; L213-F219 HydrophobicContact CD2-CE2 4.21Å; L213-F219 HydrophobicContact CD2-CG 4.5Å; L213-F219 HydrophobicContact CD2-CZ 4.32Å; L213-F219 WeakPolarHBondContact O-CB 3.21Å; L213-L247 HydrophobicContact CD2-CD1 3.57Å
214	M	86.8	Confident	84.6	Confident	49 Å²	49	49.8 Å²	49.8	24%	0.241	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-9.5	-179.8	-69.5	-68.8	163.2	0	0	114.2	K210 I212 Y216 F219	K210-M214 HydrophobicContact CD-CE 4.26Å; K210-M214 VanDerWaalsContact CE-CE 3.5Å; K210-M214 HydrophobicContact CG-CE 3.74Å; K210-M214 HydrophobicContact CG-CG 4.01Å; K210-M214 WeakPolarHBondContact O-CB 3.23Å; K210-M214 WeakPolarHBondContact O-CG 3.49Å; K210-M214 PolarHBondContact O-N 3.3Å; I212-M214 VanDerWaalsContact C-N 3.28Å; I212-M214 PolarHBondContact O-N 3.19Å; M214-Y216 PolarHBondContact O-N 3.37Å; M214-F219 WeakPolarHBondContact CE-O 3.49Å; M214-F219 VanDerWaalsContact SD-O 3.41Å
215	L	85.4	Confident	84.4	Confident	128 Å²	128	52 Å²	52	67%	0.67	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-16.2	169.4	-59.4	175.7	0	0	0	112.6	I212 L213	I212-L215 VanDerWaalsContact O-CB 3.32Å; I212-L215 WeakPolarHBondContact O-CB 3.24Å; I212-L215 WeakPolarHBondContact O-CG 3.34Å; I212-L215 PolarHBondContact O-N 2.88Å; L213-L215 PolarHBondContact O-N 3.23Å
216	Y	87.5	Confident	84.1	Confident	27 Å²	27	53.5 Å²	53.5	11%	0.106	33%	0.33	C	S	.	.	S	Bend	trans	-105.9	133.2	-175.9	-62.5	-80.6	0	0	0	110.9	L213 M214 Y218 F219 S220 L247 L271	L213-Y216 WeakPolarHBondContact O-CB 3.36Å; L213-Y216 PolarHBondContact O-N 3.01Å; M214-Y216 PolarHBondContact O-N 3.37Å; Y216-Y218 VanDerWaalsContact C-N 3.27Å; Y216-Y218 PolarHBondContact O-N 2.68Å; Y216-Y218 VanDerWaalsContact O-N 3.15Å; Y216-F219 PolarHBondContact O-N 2.76Å; Y216-F219 VanDerWaalsContact O-N 3.16Å; Y216-S220 PolarHBondContact O-N 2.84Å; Y216-L247 HydrophobicContact CD1-CD2 4.04Å; Y216-L247 HydrophobicContact CD2-CB 4.38Å; Y216-L247 HydrophobicContact CD2-CD1 4.48Å; Y216-L247 HydrophobicContact CD2-CD2 4.03Å; Y216-L247 HydrophobicContact CE1-CD2 3.82Å; Y216-L247 HydrophobicContact CE2-CB 3.7Å; Y216-L247 HydrophobicContact CE2-CD2 3.82Å; Y216-L247 HydrophobicContact CE2-CG 4.22Å; Y216-L247 HydrophobicContact CG-CD2 4.13Å; Y216-L247 WeakPolarHBondContact OH-CA 3.35Å; Y216-L247 PolarHBondContact OH-O 2.7Å; Y216-L271 HydrophobicContact CD1-CD2 3.36Å; Y216-L271 HydrophobicContact CE1-CD2 3.44Å; Y216-L271 VanDerWaalsContact CE1-CD2 3.44Å; Y216-L271 HydrophobicContact CG-CD2 4.38Å
217	P	82.1	Confident	83.9	Confident	88 Å²	88	57.3 Å²	57.3	57%	0.571	35%	0.35	S	S	*	.	H	α-helix	trans	-54	-40.1	-172.9	-29	35	0	0	0	114.3	F219 S220 A221	P217-F219 PolarHBondContact O-N 3.46Å; P217-S220 WeakPolarHBondContact CA-OG 3.43Å; P217-S220 PolarHBondContact O-N 3.02Å; P217-S220 PolarHBondContact O-OG 3.07Å; P217-A221 PolarHBondContact O-N 3.06Å
218	Y	86.8	Confident	83.9	Confident	64 Å²	64	55.8 Å²	55.8	25%	0.251	34%	0.338	S	S	.	.	H	α-helix	trans	-57.6	-49	-179.7	-176.8	-92.1	0	0	0	112.5	Y216 I228 V230 E268 F269	Y216-Y218 VanDerWaalsContact C-N 3.27Å; Y216-Y218 PolarHBondContact O-N 2.68Å; Y216-Y218 VanDerWaalsContact O-N 3.15Å; Y218-I228 HydrophobicContact CE1-CD1 3.77Å; Y218-V230 HydrophobicContact CE1-CG2 4.39Å; Y218-E268 HydrophobicContact CD2-CG 4.48Å; Y218-E268 WeakPolarHBondContact CD2-O 3.25Å; Y218-E268 HydrophobicContact CE2-CG 3.82Å; Y218-E268 PolarHBondContact OH-OE1 3.5Å; Y218-F269 AromaticContact CD1-CD1 3.69Å; Y218-F269 HydrophobicContact CD1-CD1 3.69Å; Y218-F269 HydrophobicContact CD1-CE1 4.07Å; Y218-F269 HydrophobicContact CD2-CD1 4.32Å; Y218-F269 AromaticContact CE1-CD1 3.85Å; Y218-F269 HydrophobicContact CE1-CD1 3.85Å; Y218-F269 AromaticContact CE1-CE1 3.79Å; Y218-F269 HydrophobicContact CE1-CE1 3.79Å; Y218-F269 HydrophobicContact CE2-CD1 4.44Å; Y218-F269 AromaticContact CG-CD1 3.94Å; Y218-F269 HydrophobicContact CG-CD1 3.94Å
219	F	86.4	Confident	83.7	Confident	0 Å²	0	59 Å²	59	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-79.5	-24.3	-178.5	-58.4	-80.9	0	0	0	112.5	F182 I184 L213 M214 Y216 P217 A221 S222 I228 I244 L247 F269	F182-F219 HydrophobicContact CE1-CD1 4.44Å; I184-F219 HydrophobicContact CD1-CE1 3.9Å; I184-F219 HydrophobicContact CD1-CZ 4.21Å; I184-F219 HydrophobicContact CG1-CE1 4.39Å; L213-F219 HydrophobicContact CB-CB 3.94Å; L213-F219 HydrophobicContact CB-CD1 4.37Å; L213-F219 HydrophobicContact CB-CD2 4.26Å; L213-F219 HydrophobicContact CB-CG 3.93Å; L213-F219 HydrophobicContact CD1-CD1 4.29Å; L213-F219 HydrophobicContact CD2-CD2 4.3Å; L213-F219 HydrophobicContact CD2-CE2 4.21Å; L213-F219 HydrophobicContact CD2-CG 4.5Å; L213-F219 HydrophobicContact CD2-CZ 4.32Å; L213-F219 WeakPolarHBondContact O-CB 3.21Å; M214-F219 WeakPolarHBondContact CE-O 3.49Å; M214-F219 VanDerWaalsContact SD-O 3.41Å; Y216-F219 PolarHBondContact O-N 2.76Å; Y216-F219 VanDerWaalsContact O-N 3.16Å; P217-F219 PolarHBondContact O-N 3.46Å; F219-A221 PolarHBondContact O-N 3.4Å; F219-S222 PolarHBondContact O-N 3.16Å; F219-S222 VanDerWaalsContact O-N 3.11Å; F219-I228 HydrophobicContact CE1-CG2 4.28Å; F219-I244 HydrophobicContact CZ-CD1 4.44Å; F219-L247 HydrophobicContact CE2-CD1 3.73Å; F219-L247 HydrophobicContact CZ-CD1 4.19Å; F219-F269 HydrophobicContact CE2-CD1 4.2Å; F219-F269 HydrophobicContact CE2-CG 4.32Å; F219-F269 HydrophobicContact CZ-CD1 4.02Å; F219-F269 AromaticContact CZ-CE1 3.92Å; F219-F269 HydrophobicContact CZ-CE1 3.92Å; F219-F269 HydrophobicContact CZ-CG 4.43Å; F219-F269 HydrophobicContact CZ-CZ 4.24Å
220	S	79.7	Confident	83.5	Confident	53 Å²	53	58 Å²	58	37%	0.371	35%	0.354	S	S	.	.	H	α-helix	trans	-63.1	-19.1	174.6	79.5	0	0	0	0	113.6	Y216 P217 S222 V223	Y216-S220 PolarHBondContact O-N 2.84Å; P217-S220 WeakPolarHBondContact CA-OG 3.43Å; P217-S220 PolarHBondContact O-N 3.02Å; P217-S220 PolarHBondContact O-OG 3.07Å; S220-S222 VanDerWaalsContact C-N 3.28Å; S220-S222 PolarHBondContact O-N 3.1Å; S220-V223 WeakPolarHBondContact O-CG2 2.97Å
221	A	73.4	Confident	83.4	Confident	86 Å²	86	60.4 Å²	60.4	71%	0.711	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-20.9	175.3	0	0	0	0	0	113.1	P217 F219	P217-A221 PolarHBondContact O-N 3.06Å; F219-A221 PolarHBondContact O-N 3.4Å
222	S	72.8	Confident	83.2	Confident	22 Å²	22	57.6 Å²	57.6	15%	0.154	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	38.8	-175.4	-62.5	0	0	0	0	112.9	F219 S220 G224 E225	F219-S222 PolarHBondContact O-N 3.16Å; F219-S222 VanDerWaalsContact O-N 3.11Å; S220-S222 VanDerWaalsContact C-N 3.28Å; S220-S222 PolarHBondContact O-N 3.1Å; S222-G224 PolarHBondContact O-N 3.16Å; S222-E225 PolarHBondContact O-N 3.18Å
223	V	65.9	Low	82.8	Confident	101 Å²	101	61 Å²	61	61%	0.612	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-30.7	-174.3	-170.4	0	0	0	0	113.3	K210 S220	K210-V223 WeakPolarHBondContact CE-O 3.26Å; K210-V223 PolarHBondContact NZ-O 3.4Å; S220-V223 WeakPolarHBondContact O-CG2 2.97Å
224	G	72.1	Confident	82.3	Confident	76 Å²	76	63.4 Å²	63.4	78%	0.784	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-12.2	-178.4	0	0	0	0	0	116.3	S222	S222-G224 PolarHBondContact O-N 3.16Å
225	E	80.8	Confident	81.8	Confident	102 Å²	102	65.2 Å²	65.2	48%	0.477	40%	0.398	S	S	.	.			trans	-99.3	155.5	-173.4	-63	178.4	165.3	0	0	111.1	F182 K210 S222 N227	F182-E225 VanDerWaalsContact CE2-O 3.29Å; F182-E225 WeakPolarHBondContact CE2-O 2.95Å; K210-E225 PolarHBondContact NZ-O 3.48Å; S222-E225 PolarHBondContact O-N 3.18Å; E225-N227 WeakPolarHBondContact CB-O 3.46Å
226	N	84.3	Confident	81.6	Confident	106 Å²	106	59.3 Å²	59.3	57%	0.567	37%	0.367	S	S	*	.	S	Bend	trans	-112.6	1.3	174.5	-63.5	-19.2	0	0	0	111.6	F182 L183 K210	F182-N226 WeakPolarHBondContact CA-O 3.48Å; L183-N226 PolarHBondContact N-O 3.03Å; K210-N226 PolarHBondContact NZ-OD1 3.35Å
227	N	88.6	Confident	81.4	Confident	92 Å²	92	59.7 Å²	59.7	49%	0.492	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	158.4	172.1	59.3	22.8	0	0	0	109.8	L183 E225	L183-N227 HydrophobicContact CB-CB 4.07Å; L183-N227 CarbonylContact O-C 3.55Å; L183-N227 WeakPolarHBondContact O-CA 3.31Å; E225-N227 WeakPolarHBondContact CB-O 3.46Å
228	I	90.2	Very high	81.6	Confident	19 Å²	19	59.5 Å²	59.5	10%	0.097	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	148.7	169.9	-165.4	167.4	0	0	0	108.9	F182 L183 I184 T185 Y218 F219 V230	F182-I228 HydrophobicContact CE1-CB 4.12Å; F182-I228 HydrophobicContact CE1-CG2 3.66Å; F182-I228 HydrophobicContact CZ-CB 4.06Å; F182-I228 HydrophobicContact CZ-CG2 4.09Å; L183-I228 PolarHBondContact O-N 3.37Å; I184-I228 HydrophobicContact CB-CG2 4.3Å; I184-I228 HydrophobicContact CG1-CG2 4.12Å; I184-I228 HydrophobicContact CG2-CG2 3.97Å; T185-I228 PolarHBondContact N-O 3.37Å; Y218-I228 HydrophobicContact CE1-CD1 3.77Å; F219-I228 HydrophobicContact CE1-CG2 4.28Å; I228-V230 HydrophobicContact CG2-CG2 4.32Å
229	T	88.4	Confident	81.7	Confident	69 Å²	69	58.9 Å²	58.9	42%	0.423	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.5	174.7	-56.4	0	0	0	0	109.2	T185 Q187	T185-T229 CarbonylContact O-C 3.44Å; T185-T229 VanDerWaalsContact O-CA 3.28Å; T185-T229 WeakPolarHBondContact O-CA 3.44Å; Q187-T229 HydrophobicContact CB-CG2 4.17Å; Q187-T229 HydrophobicContact CG-CG2 3.53Å
230	V	87.3	Confident	81.9	Confident	1 Å²	1	59 Å²	59	1%	0.006	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.8	-179.5	-173.4	0	0	0	0	108.3	I184 T185 F186 Q187 Y218 I228 V232 E268 F269	I184-V230 HydrophobicContact CG2-CG2 3.99Å; T185-V230 PolarHBondContact O-N 3.03Å; F186-V230 CarbonylContact C-O 3.55Å; F186-V230 VanDerWaalsContact CA-O 3.31Å; F186-V230 WeakPolarHBondContact CA-O 3.38Å; F186-V230 HydrophobicContact CD1-CB 4.02Å; F186-V230 HydrophobicContact CD1-CG1 4.21Å; F186-V230 HydrophobicContact CE1-CB 4.08Å; F186-V230 HydrophobicContact CE1-CG1 4.05Å; Q187-V230 PolarHBondContact N-O 3.09Å; Y218-V230 HydrophobicContact CE1-CG2 4.39Å; I228-V230 HydrophobicContact CG2-CG2 4.32Å; V230-V232 HydrophobicContact CG1-CG1 3.92Å; V230-E268 WeakPolarHBondContact CG1-OE1 2.98Å; V230-F269 HydrophobicContact CG1-CE1 4.2Å; V230-F269 HydrophobicContact CG1-CZ 4.38Å; V230-F269 HydrophobicContact CG2-CE1 4.27Å
231	S	86.3	Confident	82.4	Confident	88 Å²	88	59.7 Å²	59.7	62%	0.615	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	115.3	178	-62.9	0	0	0	0	109.7	Q187	Q187-S231 WeakPolarHBondContact O-CA 3.47Å
232	V	84	Confident	83.2	Confident	17 Å²	17	58.2 Å²	58.2	10%	0.103	36%	0.355	C	S	.	.			trans	-120.9	162.8	-179.1	-63.5	0	0	0	0	111.4	F186 Q187 T188 V230 Q237 L265	F186-V232 HydrophobicContact CB-CG2 4.15Å; F186-V232 HydrophobicContact CD1-CB 4.47Å; F186-V232 HydrophobicContact CD1-CG1 3.63Å; F186-V232 HydrophobicContact CD1-CG2 3.97Å; F186-V232 HydrophobicContact CE1-CG1 4.07Å; Q187-V232 PolarHBondContact O-N 2.67Å; T188-V232 HydrophobicContact CG2-CG2 3.79Å; T188-V232 WeakPolarHBondContact CG2-O 3.34Å; V230-V232 HydrophobicContact CG1-CG1 3.92Å; V232-Q237 HydrophobicContact CG2-CB 4.45Å; V232-L265 HydrophobicContact CG1-CD2 3.72Å
233	N	81.6	Confident	84.2	Confident	92 Å²	92	57.1 Å²	57.1	49%	0.492	35%	0.348	S	S	.	.			trans	-72.5	149	170.4	-164.8	-8.3	0	0	0	110.2	T188 T235 C236 Q237	T188-N233 VanDerWaalsContact CG2-C 3.49Å; N233-T235 PolarHBondContact O-N 3.04Å; N233-C236 HydrophobicContact CB-CB 4.49Å; N233-C236 WeakPolarHBondContact O-CA 3.37Å; N233-C236 PolarHBondContact O-N 3.1Å; N233-Q237 PolarHBondContact O-N 2.01Å
234	T	77	Confident	85.5	Confident	51 Å²	51	52.3 Å²	52.3	31%	0.313	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-34.4	-175	57.8	0	0	0	0	111.7	T188 N190 C236	T188-T234 VanDerWaalsContact CG2-CA 3.49Å; T188-T234 HydrophobicContact CG2-CG2 3.87Å; N190-T234 WeakPolarHBondContact OD1-CG2 3.43Å; T234-C236 VanDerWaalsContact C-N 3.26Å; T234-C236 PolarHBondContact O-N 3.49Å
235	T	76.3	Confident	86.5	Confident	88 Å²	88	52.6 Å²	52.6	54%	0.54	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.3	173.5	53.5	0	0	0	0	113.6	N233 S238	N233-T235 PolarHBondContact O-N 3.04Å; T235-S238 PolarHBondContact O-OG 2.89Å
236	C	83	Confident	87.2	Confident	4 Å²	4	47.8 Å²	47.8	3%	0.027	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-13.4	-176	-58.9	0	0	0	0	113.7	N233 T234 S238 Y239 C261	N233-C236 HydrophobicContact CB-CB 4.49Å; N233-C236 WeakPolarHBondContact O-CA 3.37Å; N233-C236 PolarHBondContact O-N 3.1Å; T234-C236 VanDerWaalsContact C-N 3.26Å; T234-C236 PolarHBondContact O-N 3.49Å; C236-S238 PolarHBondContact O-N 3.38Å; C236-Y239 PolarHBondContact O-N 2.84Å; C236-C261 WeakPolarHBondContact CA-SG 3.47Å; C236-C261 HydrophobicContact CB-CB 3.54Å; C236-C261 WeakPolarHBondContact CB-SG 3.4Å; C236-C261 WeakPolarHBondContact SG-CA 3.29Å; C236-C261 WeakPolarHBondContact SG-CB 3.33Å; C236-C261 CovalentContact SG-SG 2.05Å; C236-C261 PolarHBondContact SG-SG 3.01Å
237	Q	83.3	Confident	87.6	Confident	35 Å²	35	42.9 Å²	42.9	16%	0.164	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-57.9	-35.6	-179.7	-168.3	174.2	26	0	0	112.6	T188 T202 N204 V232 N233 Y239 S240	T188-Q237 HydrophobicContact CG2-CB 4.22Å; T188-Q237 VanDerWaalsContact OG1-CD 3.24Å; T188-Q237 PolarHBondContact OG1-NE2 2.93Å; T188-Q237 VanDerWaalsContact OG1-NE2 3.17Å; T188-Q237 PolarHBondContact OG1-OE1 3.27Å; T188-Q237 VanDerWaalsContact OG1-OE1 3.07Å; T202-Q237 PolarHBondContact O-NE2 3.25Å; N204-Q237 HydrophobicContact CB-CG 4.34Å; V232-Q237 HydrophobicContact CG2-CB 4.45Å; N233-Q237 PolarHBondContact O-N 2.01Å; Q237-Y239 PolarHBondContact O-N 2.79Å; Q237-Y239 VanDerWaalsContact O-N 3.16Å; Q237-S240 WeakPolarHBondContact O-CB 3.5Å; Q237-S240 PolarHBondContact O-N 3.32Å; Q237-S240 PolarHBondContact O-OG 2.85Å
238	S	85.9	Confident	87.8	Confident	83 Å²	83	38.6 Å²	38.6	58%	0.58	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-62.3	-20.4	178.4	57.1	0	0	0	0	113.9	T235 C236	T235-S238 PolarHBondContact O-OG 2.89Å; C236-S238 PolarHBondContact O-N 3.38Å
239	Y	88.8	Confident	87.9	Confident	52 Å²	52	37.8 Å²	37.8	20%	0.204	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-100.4	-0.3	-178.9	-52.5	-65.5	0	0	0	113.7	C236 Q237 T241 S242 I243 S257 C261	C236-Y239 PolarHBondContact O-N 2.84Å; Q237-Y239 PolarHBondContact O-N 2.79Å; Q237-Y239 VanDerWaalsContact O-N 3.16Å; Y239-T241 PolarHBondContact O-N 2.87Å; Y239-S242 PolarHBondContact O-N 2.84Å; Y239-I243 PolarHBondContact O-N 2.86Å; Y239-S257 PolarHBondContact OH-O 3.47Å; Y239-C261 HydrophobicContact CD2-CB 3.55Å; Y239-C261 HydrophobicContact CE2-CB 3.98Å
240	S	89.4	Confident	88.1	Confident	2 Å²	2	38 Å²	38	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-56.2	-45.8	178.9	54.1	0	0	0	0	112.5	N204 Q237 S242 I243 I244	N204-S240 PolarHBondContact ND2-OG 3.32Å; Q237-S240 WeakPolarHBondContact O-CB 3.5Å; Q237-S240 PolarHBondContact O-N 3.32Å; Q237-S240 PolarHBondContact O-OG 2.85Å; S240-S242 VanDerWaalsContact C-N 3.34Å; S240-S242 PolarHBondContact O-N 2.83Å; S240-I243 WeakPolarHBondContact O-CG2 3.46Å; S240-I243 PolarHBondContact O-N 2.77Å; S240-I244 WeakPolarHBondContact O-CG1 3.26Å; S240-I244 PolarHBondContact O-N 2.98Å; S240-I244 VanDerWaalsContact O-N 3.1Å
241	T	90.4	Very high	88.4	Confident	67 Å²	67	41.9 Å²	41.9	41%	0.411	23%	0.231	S	C	.	.	H	α-helix	trans	-63.1	-41	177.2	-51.7	0	0	0	0	112.3	Y174 Y239 I244 R245	Y174-T241 PolarHBondContact OH-O 3.38Å; Y239-T241 PolarHBondContact O-N 2.87Å; T241-I244 PolarHBondContact O-N 2.75Å; T241-R245 VanDerWaalsContact O-CB 3.32Å; T241-R245 WeakPolarHBondContact O-CB 3.34Å; T241-R245 PolarHBondContact O-N 2.86Å
242	S	91.6	Very high	88.7	Confident	55 Å²	55	38.2 Å²	38.2	39%	0.385	21%	0.205	S	C	.	.	H	α-helix	trans	-65.5	-42.2	-179.1	-56.2	0	0	0	0	111.9	Y239 S240 R245 Y246	Y239-S242 PolarHBondContact O-N 2.84Å; S240-S242 VanDerWaalsContact C-N 3.34Å; S240-S242 PolarHBondContact O-N 2.83Å; S242-R245 PolarHBondContact O-N 3.44Å; S242-Y246 PolarHBondContact O-N 3.18Å
243	I	92.9	Very high	89.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-71.2	-37.8	179.6	-165.1	68.6	0	0	0	111.9	Y239 S240 Y246 L247 L262 L265 F269 L271 L274	Y239-I243 PolarHBondContact O-N 2.86Å; S240-I243 WeakPolarHBondContact O-CG2 3.46Å; S240-I243 PolarHBondContact O-N 2.77Å; I243-Y246 WeakPolarHBondContact O-CB 3.43Å; I243-Y246 PolarHBondContact O-N 2.91Å; I243-L247 PolarHBondContact O-N 3.44Å; I243-L262 HydrophobicContact CB-CD2 4.38Å; I243-L262 HydrophobicContact CD1-CD2 4.36Å; I243-L265 HydrophobicContact CB-CD1 4.42Å; I243-L265 HydrophobicContact CG1-CB 4.12Å; I243-L265 HydrophobicContact CG2-CD1 4.01Å; I243-F269 HydrophobicContact CG1-CD2 3.97Å; I243-F269 HydrophobicContact CG1-CE2 4.09Å; I243-F269 HydrophobicContact CG2-CE2 3.85Å; I243-L271 HydrophobicContact CD1-CD1 3.92Å; I243-L271 HydrophobicContact CG1-CD1 4.3Å; I243-L274 HydrophobicContact CD1-CD2 3.37Å
244	I	93.3	Very high	89.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.3	-40.9	175.4	-61.7	-52.4	0	0	0	110.1	Y174 I184 F186 I206 F219 S240 T241 Y246 L247 Y248 F269	Y174-I244 HydrophobicContact CD2-CG2 4.44Å; Y174-I244 HydrophobicContact CE2-CB 4.41Å; Y174-I244 HydrophobicContact CE2-CG2 3.56Å; I184-I244 HydrophobicContact CD1-CD1 3.59Å; I184-I244 HydrophobicContact CD1-CG1 4.16Å; I184-I244 HydrophobicContact CD1-CG2 4.38Å; F186-I244 HydrophobicContact CE2-CD1 4.41Å; F186-I244 HydrophobicContact CE2-CG1 4.07Å; F186-I244 HydrophobicContact CZ-CD1 4.06Å; F186-I244 HydrophobicContact CZ-CG1 4.07Å; I206-I244 HydrophobicContact CD1-CB 4.45Å; I206-I244 HydrophobicContact CD1-CG1 4.02Å; I206-I244 HydrophobicContact CG2-CB 4.44Å; I206-I244 HydrophobicContact CG2-CG2 4.04Å; F219-I244 HydrophobicContact CZ-CD1 4.44Å; S240-I244 WeakPolarHBondContact O-CG1 3.26Å; S240-I244 PolarHBondContact O-N 2.98Å; S240-I244 VanDerWaalsContact O-N 3.1Å; T241-I244 PolarHBondContact O-N 2.75Å; I244-Y246 PolarHBondContact O-N 3.5Å; I244-L247 HydrophobicContact CD1-CD1 3.99Å; I244-L247 VanDerWaalsContact O-CB 3.29Å; I244-L247 WeakPolarHBondContact O-CB 3.35Å; I244-L247 PolarHBondContact O-N 3.43Å; I244-Y248 HydrophobicContact CG2-CE2 4.36Å; I244-Y248 WeakPolarHBondContact O-CD2 3.49Å; I244-F269 HydrophobicContact CD1-CE2 4.06Å; I244-F269 HydrophobicContact CD1-CZ 4.34Å
245	R	93.8	Very high	90.1	Very high	82 Å²	82	37 Å²	37	31%	0.309	20%	0.197	S	C	.	.	H	α-helix	trans	-61.6	-33	173.9	-168.2	173.7	-174.9	-70.3	-3.9	112.7	Y174 D175 T241 S242 L247 Y248 T249	Y174-R245 HydrophobicContact CD1-CB 3.93Å; Y174-R245 HydrophobicContact CD1-CG 3.69Å; Y174-R245 HydrophobicContact CE1-CB 3.56Å; Y174-R245 HydrophobicContact CE1-CG 3.8Å; D175-R245 IonicContact OD1-CZ 3.72Å; D175-R245 IonicContact OD1-NE 3Å; D175-R245 PolarHBondContact OD1-NE 2.78Å; D175-R245 IonicContact OD1-NH2 3.93Å; D175-R245 IonicContact OD2-CZ 3.95Å; D175-R245 IonicContact OD2-NE 3.56Å; D175-R245 PolarHBondContact OD2-NE 2.78Å; D175-R245 IonicContact OD2-NH2 3.22Å; D175-R245 PolarHBondContact OD2-NH2 3.42Å; T241-R245 VanDerWaalsContact O-CB 3.32Å; T241-R245 WeakPolarHBondContact O-CB 3.34Å; T241-R245 PolarHBondContact O-N 2.86Å; S242-R245 PolarHBondContact O-N 3.44Å; R245-L247 VanDerWaalsContact C-N 3.25Å; R245-L247 PolarHBondContact O-N 3.19Å; R245-Y248 PolarHBondContact O-N 2.91Å; R245-Y248 VanDerWaalsContact O-N 3.13Å; R245-T249 HydrophobicContact CG-CG2 4.29Å; R245-T249 VanDerWaalsContact NH1-CG2 3.34Å; R245-T249 PolarHBondContact O-N 3Å; R245-T249 PolarHBondContact O-OG1 2.83Å
246	Y	94.4	Very high	90.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.4	-30.2	173.5	172.1	-89.1	0	0	0	112.4	H162 S242 I243 I244 Y248 R250 I252 L271 L274	H162-Y246 AromaticContact ND1-CE2 3.53Å; H162-Y246 AromaticContact ND1-CZ 3.64Å; H162-Y246 PolarHBondContact ND1-OH 3Å; S242-Y246 PolarHBondContact O-N 3.18Å; I243-Y246 WeakPolarHBondContact O-CB 3.43Å; I243-Y246 PolarHBondContact O-N 2.91Å; I244-Y246 PolarHBondContact O-N 3.5Å; Y246-Y248 PolarHBondContact O-N 3.38Å; Y246-R250 VanDerWaalsContact CD2-C 3.47Å; Y246-R250 VanDerWaalsContact CE2-O 3.27Å; Y246-R250 WeakPolarHBondContact CE2-O 3.22Å; Y246-R250 WeakPolarHBondContact O-CA 3.38Å; Y246-R250 PolarHBondContact O-N 3.16Å; Y246-R250 PolarHBondContact OH-NH1 3.03Å; Y246-I252 HydrophobicContact CD2-CB 3.86Å; Y246-I252 HydrophobicContact CD2-CG2 3.7Å; Y246-I252 HydrophobicContact CE2-CG2 4.15Å; Y246-I252 HydrophobicContact CG-CB 4.48Å; Y246-L271 HydrophobicContact CD1-CD1 3.96Å; Y246-L271 HydrophobicContact CE1-CD1 4.01Å; Y246-L274 HydrophobicContact CD1-CD2 3.69Å; Y246-L274 HydrophobicContact CD2-CD1 4.45Å; Y246-L274 HydrophobicContact CD2-CD2 4.28Å; Y246-L274 HydrophobicContact CE1-CB 3.94Å; Y246-L274 HydrophobicContact CE1-CD2 3.66Å; Y246-L274 HydrophobicContact CE1-CG 4.3Å; Y246-L274 HydrophobicContact CE2-CB 4.48Å; Y246-L274 HydrophobicContact CE2-CD1 4.03Å; Y246-L274 HydrophobicContact CE2-CD2 4.25Å; Y246-L274 HydrophobicContact CE2-CG 4.49Å; Y246-L274 HydrophobicContact CG-CD2 4.02Å
247	L	93.1	Very high	90.4	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-64	-20.2	175.2	-56.6	-179.4	0	0	0	113.2	L213 Y216 F219 I243 I244 R245 L271	L213-L247 HydrophobicContact CD2-CD1 3.57Å; Y216-L247 HydrophobicContact CD1-CD2 4.04Å; Y216-L247 HydrophobicContact CD2-CB 4.38Å; Y216-L247 HydrophobicContact CD2-CD1 4.48Å; Y216-L247 HydrophobicContact CD2-CD2 4.03Å; Y216-L247 HydrophobicContact CE1-CD2 3.82Å; Y216-L247 HydrophobicContact CE2-CB 3.7Å; Y216-L247 HydrophobicContact CE2-CD2 3.82Å; Y216-L247 HydrophobicContact CE2-CG 4.22Å; Y216-L247 HydrophobicContact CG-CD2 4.13Å; Y216-L247 WeakPolarHBondContact OH-CA 3.35Å; Y216-L247 PolarHBondContact OH-O 2.7Å; F219-L247 HydrophobicContact CE2-CD1 3.73Å; F219-L247 HydrophobicContact CZ-CD1 4.19Å; I243-L247 PolarHBondContact O-N 3.44Å; I244-L247 HydrophobicContact CD1-CD1 3.99Å; I244-L247 VanDerWaalsContact O-CB 3.29Å; I244-L247 WeakPolarHBondContact O-CB 3.35Å; I244-L247 PolarHBondContact O-N 3.43Å; R245-L247 VanDerWaalsContact C-N 3.25Å; R245-L247 PolarHBondContact O-N 3.19Å; L247-L271 HydrophobicContact CD2-CD1 3.81Å; L247-L271 HydrophobicContact CD2-CD2 3.64Å; L247-L271 HydrophobicContact CD2-CG 4.31Å
248	Y	92.8	Very high	90.6	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-96.9	-50.9	177.5	-69.1	-109.1	0	0	0	110.9	L170 Y174 A208 H209 I212 I244 R245 Y246	L170-Y248 HydrophobicContact CB-CD1 4.23Å; L170-Y248 VanDerWaalsContact O-CD1 3.26Å; L170-Y248 WeakPolarHBondContact O-CD1 3.33Å; Y174-Y248 AromaticContact CD2-CD2 3.83Å; Y174-Y248 HydrophobicContact CD2-CD2 3.83Å; Y174-Y248 HydrophobicContact CD2-CE1 4.28Å; Y174-Y248 AromaticContact CD2-CE2 3.48Å; Y174-Y248 HydrophobicContact CD2-CE2 3.48Å; Y174-Y248 VanDerWaalsContact CD2-CE2 3.48Å; Y174-Y248 HydrophobicContact CD2-CG 4.41Å; Y174-Y248 AromaticContact CD2-CZ 3.73Å; Y174-Y248 HydrophobicContact CE2-CE2 4.15Å; Y174-Y248 HydrophobicContact CG-CD2 4.08Å; Y174-Y248 HydrophobicContact CG-CE2 4.16Å; Y174-Y248 HydrophobicContact CG-CG 4.29Å; A208-Y248 WeakPolarHBondContact CA-OH 3.39Å; A208-Y248 WeakPolarHBondContact CB-OH 3.47Å; H209-Y248 PolarHBondContact N-OH 2.81Å; H209-Y248 AromaticContact ND1-CE1 3.48Å; H209-Y248 WeakPolarHBondContact ND1-CE1 3.44Å; H209-Y248 AromaticContact ND1-CZ 3.65Å; H209-Y248 PolarHBondContact ND1-OH 3.29Å; I212-Y248 HydrophobicContact CB-CE1 4.28Å; I212-Y248 HydrophobicContact CD1-CD1 3.53Å; I212-Y248 HydrophobicContact CD1-CE1 3.2Å; I212-Y248 HydrophobicContact CG1-CE1 4.3Å; I212-Y248 HydrophobicContact CG2-CD1 4.14Å; I212-Y248 HydrophobicContact CG2-CD2 4.43Å; I212-Y248 HydrophobicContact CG2-CE1 4.11Å; I212-Y248 HydrophobicContact CG2-CE2 4.34Å; I212-Y248 HydrophobicContact CG2-CG 4.32Å; I244-Y248 HydrophobicContact CG2-CE2 4.36Å; I244-Y248 WeakPolarHBondContact O-CD2 3.49Å; R245-Y248 PolarHBondContact O-N 2.91Å; R245-Y248 VanDerWaalsContact O-N 3.13Å; Y246-Y248 PolarHBondContact O-N 3.38Å
249	T	93.4	Very high	90.8	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.018	18%	0.175	C	C	.	.	H	α-helix	trans	-90.6	-20	-169.3	58.7	0	0	0	0	113.5	S167 G171 R245 Q251	S167-T249 VanDerWaalsContact CB-O 3.23Å; S167-T249 WeakPolarHBondContact CB-O 3.46Å; S167-T249 PolarHBondContact OG-O 2.94Å; G171-T249 VanDerWaalsContact CA-CG2 3.41Å; R245-T249 HydrophobicContact CG-CG2 4.29Å; R245-T249 VanDerWaalsContact NH1-CG2 3.34Å; R245-T249 PolarHBondContact O-N 3Å; R245-T249 PolarHBondContact O-OG1 2.83Å; T249-Q251 PolarHBondContact O-N 3.3Å; T249-Q251 PolarHBondContact OG1-N 3.5Å; T249-Q251 PolarHBondContact OG1-O 2.87Å
250	R	92.2	Very high	90.8	Very high	72 Å²	72	34.4 Å²	34.4	27%	0.272	18%	0.18	S	C	.	.			trans	53.8	21.5	-172.8	-59.8	-79.8	-76.7	-179.2	-12.5	112.7	H162 Y246	H162-R250 VanDerWaalsContact C-CB 3.47Å; H162-R250 CarbonylContact C-O 3.5Å; H162-R250 WeakPolarHBondContact CA-O 3.23Å; H162-R250 HydrophobicContact CB-CB 4.01Å; H162-R250 WeakPolarHBondContact CB-O 3.08Å; H162-R250 PolarHBondContact N-O 3.49Å; H162-R250 WeakPolarHBondContact O-CB 3.21Å; Y246-R250 VanDerWaalsContact CD2-C 3.47Å; Y246-R250 VanDerWaalsContact CE2-O 3.27Å; Y246-R250 WeakPolarHBondContact CE2-O 3.22Å; Y246-R250 WeakPolarHBondContact O-CA 3.38Å; Y246-R250 PolarHBondContact O-N 3.16Å; Y246-R250 PolarHBondContact OH-NH1 3.03Å
251	Q	92.3	Very high	90.8	Very high	83 Å²	83	34.7 Å²	34.7	39%	0.388	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	135.1	178.8	-75.8	176.1	-4	0	0	109.5	L160 D161 S163 T249	L160-Q251 WeakPolarHBondContact O-CA 3.5Å; D161-Q251 HydrophobicContact CB-CG 4.25Å; D161-Q251 VanDerWaalsContact CG-NE2 3.33Å; D161-Q251 WeakPolarHBondContact OD1-CG 3.17Å; D161-Q251 PolarHBondContact OD1-NE2 3.48Å; D161-Q251 VanDerWaalsContact OD1-NE2 3.12Å; D161-Q251 PolarHBondContact OD2-NE2 3.35Å; D161-Q251 VanDerWaalsContact OD2-NE2 3.09Å; S163-Q251 PolarHBondContact OG-NE2 2.97Å; T249-Q251 PolarHBondContact O-N 3.3Å; T249-Q251 PolarHBondContact OG1-N 3.5Å; T249-Q251 PolarHBondContact OG1-O 2.87Å
252	I	93.3	Very high	90.9	Very high	12 Å²	12	31.6 Å²	31.6	6%	0.062	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	140.8	176.6	-168.7	163.5	0	0	0	111.1	L160 Y246 V254 L262 L274	L160-I252 HydrophobicContact CB-CG2 4.15Å; L160-I252 HydrophobicContact CD1-CG2 4.47Å; L160-I252 PolarHBondContact N-O 2.96Å; L160-I252 PolarHBondContact O-N 3.16Å; Y246-I252 HydrophobicContact CD2-CB 3.86Å; Y246-I252 HydrophobicContact CD2-CG2 3.7Å; Y246-I252 HydrophobicContact CE2-CG2 4.15Å; Y246-I252 HydrophobicContact CG-CB 4.48Å; I252-V254 HydrophobicContact CG2-CG2 4.14Å; I252-L262 HydrophobicContact CD1-CD1 3.79Å; I252-L262 HydrophobicContact CD1-CD2 3.63Å; I252-L262 HydrophobicContact CD1-CG 4.34Å; I252-L262 HydrophobicContact CG1-CD1 4.31Å; I252-L274 HydrophobicContact CG2-CD1 3.54Å
253	N	92.9	Very high	91	Very high	100 Å²	100	29 Å²	29	54%	0.535	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.7	172	-73.8	-15.4	0	0	0	109	V157 F158 S159	V157-N253 HydrophobicContact CG1-CB 3.69Å; F158-N253 WeakPolarHBondContact O-CA 3.48Å; S159-N253 WeakPolarHBondContact CA-OD1 3.45Å; S159-N253 WeakPolarHBondContact CB-OD1 3.23Å; S159-N253 PolarHBondContact OG-OD1 2.96Å
254	V	91	Very high	90.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.7	-176.6	-174.9	0	0	0	0	108.7	F158 L160 I252 A259 L262 V278 V281	F158-V254 HydrophobicContact CB-CB 4.46Å; F158-V254 WeakPolarHBondContact CB-O 3.38Å; F158-V254 WeakPolarHBondContact CD2-O 3.21Å; F158-V254 PolarHBondContact N-O 2.85Å; F158-V254 PolarHBondContact O-N 2.88Å; L160-V254 HydrophobicContact CD1-CG2 3.69Å; L160-V254 HydrophobicContact CG-CG2 4.12Å; I252-V254 HydrophobicContact CG2-CG2 4.14Å; V254-A259 HydrophobicContact CG1-CB 3.75Å; V254-L262 HydrophobicContact CB-CD1 4.45Å; V254-L262 HydrophobicContact CG1-CD1 4.27Å; V254-L262 HydrophobicContact CG2-CD1 3.92Å; V254-V278 HydrophobicContact CG1-CG1 4.47Å; V254-V278 HydrophobicContact CG2-CG2 4.16Å; V254-V281 HydrophobicContact CG1-CG1 4.1Å
255	T	87.9	Confident	90.8	Very high	33 Å²	33	32.6 Å²	32.6	20%	0.202	16%	0.162	C	C	.	.			trans	-106.9	164.2	166.7	64.1	0	0	0	0	109.9	V157 S257 S258 A259	V157-T255 HydrophobicContact CG2-CG2 4.21Å; T255-S257 PolarHBondContact O-N 3.27Å; T255-S257 PolarHBondContact OG1-OG 2.98Å; T255-S258 PolarHBondContact N-OG 3.34Å; T255-S258 PolarHBondContact O-N 3.1Å; T255-S258 PolarHBondContact O-OG 3.06Å; T255-S258 PolarHBondContact OG1-N 3.31Å; T255-S258 PolarHBondContact OG1-OG 3.5Å; T255-S258 VanDerWaalsContact OG1-OG 3.13Å; T255-A259 WeakPolarHBondContact O-CB 3.37Å; T255-A259 PolarHBondContact O-N 3.44Å
256	Y	82.8	Confident	90.7	Very high	53 Å²	53	28.7 Å²	28.7	21%	0.208	15%	0.147	C	C	.	.	H	α-helix	trans	-55.6	-35.8	173.4	-70.1	-63.4	0	0	0	113.4	Q153 S156 F158 K284	Q153-Y256 HydrophobicContact CG-CE2 4.22Å; Q153-Y256 WeakPolarHBondContact O-CD2 3.25Å; Q153-Y256 WeakPolarHBondContact O-CE2 3.43Å; S156-Y256 WeakPolarHBondContact OG-CE2 3.11Å; F158-Y256 HydrophobicContact CE2-CD2 4.45Å; F158-Y256 HydrophobicContact CE2-CE1 4.17Å; F158-Y256 AromaticContact CE2-CE2 4Å; F158-Y256 HydrophobicContact CE2-CE2 4Å; F158-Y256 AromaticContact CE2-CZ 3.84Å; F158-Y256 HydrophobicContact CZ-CE1 4.45Å; F158-Y256 HydrophobicContact CZ-CE2 4.26Å; F158-Y256 AromaticContact CZ-CZ 3.88Å; Y256-K284 HydrophobicContact CE1-CB 4.36Å
257	S	82.1	Confident	90.6	Very high	87 Å²	87	31.1 Å²	31.1	61%	0.608	16%	0.164	S	C	*	.	H	α-helix	trans	-71.1	-28.4	177.7	54.2	0	0	0	0	113.7	Y239 T255	Y239-S257 PolarHBondContact OH-O 3.47Å; T255-S257 PolarHBondContact O-N 3.27Å; T255-S257 PolarHBondContact OG1-OG 2.98Å
258	S	87.9	Confident	90.3	Very high	4 Å²	4	34.3 Å²	34.3	3%	0.028	18%	0.179	C	C	.	.	H	α-helix	trans	-91.5	-24.1	178.4	69.2	0	0	0	0	113.8	T255 M260 C261 L262	T255-S258 PolarHBondContact N-OG 3.34Å; T255-S258 PolarHBondContact O-N 3.1Å; T255-S258 PolarHBondContact O-OG 3.06Å; T255-S258 PolarHBondContact OG1-N 3.31Å; T255-S258 PolarHBondContact OG1-OG 3.5Å; T255-S258 VanDerWaalsContact OG1-OG 3.13Å; S258-M260 PolarHBondContact O-N 2.92Å; S258-C261 PolarHBondContact O-N 3.09Å; S258-L262 WeakPolarHBondContact O-CG 3.34Å; S258-L262 PolarHBondContact O-N 3.17Å
259	A	90	Very high	90.1	Very high	2 Å²	2	34.3 Å²	34.3	2%	0.017	18%	0.179	C	C	.	.	H	α-helix	trans	-57.5	-45.1	-167	0	0	0	0	0	112.7	V254 T255 C261 L262 H263 V278 V281 I282	V254-A259 HydrophobicContact CG1-CB 3.75Å; T255-A259 WeakPolarHBondContact O-CB 3.37Å; T255-A259 PolarHBondContact O-N 3.44Å; A259-C261 PolarHBondContact O-N 2.01Å; A259-L262 PolarHBondContact O-N 2.64Å; A259-H263 VanDerWaalsContact O-CB 3.27Å; A259-H263 WeakPolarHBondContact O-CB 3.43Å; A259-H263 PolarHBondContact O-N 2.87Å; A259-V278 HydrophobicContact CB-CG1 4.19Å; A259-V278 WeakPolarHBondContact O-CG1 3.43Å; A259-V281 HydrophobicContact CB-CG1 4.47Å; A259-I282 HydrophobicContact CB-CD1 4.37Å; A259-I282 HydrophobicContact CB-CG1 3.69Å
260	M	89.1	Confident	89.9	Confident	62 Å²	62	36.3 Å²	36.3	31%	0.305	20%	0.2	S	C	.	.	H	α-helix	trans	-61.6	-46.4	-179.6	-173.5	57.1	67.3	0	0	112.2	S258 H263 Q264 I282 L298 Y301	S258-M260 PolarHBondContact O-N 2.92Å; M260-H263 WeakPolarHBondContact O-CB 3.39Å; M260-H263 PolarHBondContact O-N 2.8Å; M260-Q264 WeakPolarHBondContact O-CG 3.39Å; M260-Q264 PolarHBondContact O-N 3.12Å; M260-I282 HydrophobicContact CE-CD1 4.38Å; M260-L298 HydrophobicContact CE-CD2 3.49Å; M260-L298 VanDerWaalsContact CE-CD2 3.49Å; M260-Y301 HydrophobicContact CE-CD1 4.19Å; M260-Y301 HydrophobicContact CE-CE1 4.13Å; M260-Y301 HydrophobicContact SD-CD1 4.04Å; M260-Y301 HydrophobicContact SD-CD2 4.4Å; M260-Y301 HydrophobicContact SD-CE1 3.52Å; M260-Y301 VanDerWaalsContact SD-CE1 3.52Å; M260-Y301 HydrophobicContact SD-CE2 3.94Å; M260-Y301 HydrophobicContact SD-CG 4.43Å
261	C	90.1	Very high	89.9	Confident	8 Å²	8	33.1 Å²	33.1	5%	0.054	19%	0.189	C	C	.	.	H	α-helix	trans	-66.8	-42.9	178.8	-77.3	0	0	0	0	112.3	C236 Y239 S258 A259 H263 Q264 L265	C236-C261 WeakPolarHBondContact CA-SG 3.47Å; C236-C261 HydrophobicContact CB-CB 3.54Å; C236-C261 WeakPolarHBondContact CB-SG 3.4Å; C236-C261 WeakPolarHBondContact SG-CA 3.29Å; C236-C261 WeakPolarHBondContact SG-CB 3.33Å; C236-C261 CovalentContact SG-SG 2.05Å; C236-C261 PolarHBondContact SG-SG 3.01Å; Y239-C261 HydrophobicContact CD2-CB 3.55Å; Y239-C261 HydrophobicContact CE2-CB 3.98Å; S258-C261 PolarHBondContact O-N 3.09Å; A259-C261 PolarHBondContact O-N 2.01Å; C261-H263 VanDerWaalsContact C-N 3.28Å; C261-H263 PolarHBondContact O-N 3.41Å; C261-Q264 PolarHBondContact O-N 3.07Å; C261-L265 VanDerWaalsContact O-CG 3.3Å; C261-L265 WeakPolarHBondContact O-CG 3.47Å; C261-L265 PolarHBondContact O-N 2.74Å
262	L	93	Very high	89.8	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-64.5	-34.4	176.8	-69.9	176.6	0	0	0	111.9	I243 I252 V254 S258 A259 A266 V278	I243-L262 HydrophobicContact CB-CD2 4.38Å; I243-L262 HydrophobicContact CD1-CD2 4.36Å; I252-L262 HydrophobicContact CD1-CD1 3.79Å; I252-L262 HydrophobicContact CD1-CD2 3.63Å; I252-L262 HydrophobicContact CD1-CG 4.34Å; I252-L262 HydrophobicContact CG1-CD1 4.31Å; V254-L262 HydrophobicContact CB-CD1 4.45Å; V254-L262 HydrophobicContact CG1-CD1 4.27Å; V254-L262 HydrophobicContact CG2-CD1 3.92Å; S258-L262 WeakPolarHBondContact O-CG 3.34Å; S258-L262 PolarHBondContact O-N 3.17Å; A259-L262 PolarHBondContact O-N 2.64Å; L262-A266 WeakPolarHBondContact O-CB 3.07Å; L262-A266 PolarHBondContact O-N 2.83Å; L262-V278 HydrophobicContact CB-CG1 4.5Å
263	H	93.2	Very high	89.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.8	-45.8	174	-170.4	-81.3	0	0	0	112.1	A259 M260 C261 A266 S267 F275 V278 I282 Y301 D307	A259-H263 VanDerWaalsContact O-CB 3.27Å; A259-H263 WeakPolarHBondContact O-CB 3.43Å; A259-H263 PolarHBondContact O-N 2.87Å; M260-H263 WeakPolarHBondContact O-CB 3.39Å; M260-H263 PolarHBondContact O-N 2.8Å; C261-H263 VanDerWaalsContact C-N 3.28Å; C261-H263 PolarHBondContact O-N 3.41Å; H263-A266 PolarHBondContact O-N 2.8Å; H263-S267 PolarHBondContact O-N 2.69Å; H263-F275 AromaticContact CE1-CD2 3.61Å; H263-F275 AromaticContact CE1-CE2 3.04Å; H263-F275 WeakPolarHBondContact CE1-CE2 3.47Å; H263-F275 AromaticContact CE1-CZ 3.52Å; H263-F275 AromaticContact ND1-CD2 3.79Å; H263-F275 AromaticContact ND1-CE2 3.46Å; H263-F275 WeakPolarHBondContact ND1-CE2 3.44Å; H263-F275 AromaticContact NE2-CD2 3.85Å; H263-F275 AromaticContact NE2-CE2 3.64Å; H263-F275 AromaticContact NE2-CZ 3.97Å; H263-V278 HydrophobicContact CB-CG1 3.81Å; H263-I282 HydrophobicContact CB-CD1 3.84Å; H263-Y301 AromaticContact CE1-CE1 3.83Å; H263-Y301 AromaticContact ND1-CE1 3.67Å; H263-Y301 AromaticContact ND1-CZ 3.67Å; H263-Y301 PolarHBondContact ND1-OH 3.34Å; H263-D307 IonicContact CE1-OD2 2.88Å; H263-D307 IonicContact NE2-OD2 3.69Å; H263-D307 PolarHBondContact NE2-OD2 3.27Å
264	Q	90.3	Very high	89.7	Confident	72 Å²	72	35.8 Å²	35.8	34%	0.336	19%	0.189	S	C	.	.	H	α-helix	trans	-60.9	-48.2	176.7	-70.6	176.5	-13.7	0	0	111.3	M260 C261 A266 S267 E268 Y301	M260-Q264 WeakPolarHBondContact O-CG 3.39Å; M260-Q264 PolarHBondContact O-N 3.12Å; C261-Q264 PolarHBondContact O-N 3.07Å; Q264-A266 PolarHBondContact O-N 2.81Å; Q264-S267 WeakPolarHBondContact O-CB 3.06Å; Q264-S267 PolarHBondContact O-N 2.82Å; Q264-E268 PolarHBondContact O-N 3.22Å; Q264-Y301 HydrophobicContact CG-CE2 4.11Å; Q264-Y301 WeakPolarHBondContact CG-OH 3.1Å
265	L	90.6	Very high	89.7	Confident	4 Å²	4	36.9 Å²	36.9	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-64.9	-38.5	178.4	-67.6	166.6	0	0	0	112.1	F186 V232 I243 C261 S267 E268 F269	F186-L265 HydrophobicContact CE1-CD2 4.43Å; V232-L265 HydrophobicContact CG1-CD2 3.72Å; I243-L265 HydrophobicContact CB-CD1 4.42Å; I243-L265 HydrophobicContact CG1-CB 4.12Å; I243-L265 HydrophobicContact CG2-CD1 4.01Å; C261-L265 VanDerWaalsContact O-CG 3.3Å; C261-L265 WeakPolarHBondContact O-CG 3.47Å; C261-L265 PolarHBondContact O-N 2.74Å; L265-S267 VanDerWaalsContact C-N 3.32Å; L265-E268 PolarHBondContact O-N 2.88Å; L265-F269 WeakPolarHBondContact O-CB 3.21Å; L265-F269 WeakPolarHBondContact O-CG 3.35Å; L265-F269 PolarHBondContact O-N 2.97Å
266	A	92.9	Very high	89.9	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.2	-38.7	175.1	0	0	0	0	0	111.8	L262 H263 Q264 G270 L271 L274 F275	L262-A266 WeakPolarHBondContact O-CB 3.07Å; L262-A266 PolarHBondContact O-N 2.83Å; H263-A266 PolarHBondContact O-N 2.8Å; Q264-A266 PolarHBondContact O-N 2.81Å; A266-G270 PolarHBondContact O-N 2.77Å; A266-G270 VanDerWaalsContact O-N 3.16Å; A266-L271 HydrophobicContact CB-CB 4.15Å; A266-L271 PolarHBondContact O-N 2.97Å; A266-L274 HydrophobicContact CB-CB 4.29Å; A266-L274 HydrophobicContact CB-CD2 4.02Å; A266-L274 HydrophobicContact CB-CG 4.05Å; A266-F275 HydrophobicContact CB-CB 3.98Å
267	S	91.1	Very high	90.3	Very high	52 Å²	52	35.7 Å²	35.7	36%	0.364	19%	0.189	S	C	.	.	H	α-helix	trans	-62.5	-47.6	172.9	-168.8	0	0	0	0	111.4	H263 Q264 L265 G270	H263-S267 PolarHBondContact O-N 2.69Å; Q264-S267 WeakPolarHBondContact O-CB 3.06Å; Q264-S267 PolarHBondContact O-N 2.82Å; L265-S267 VanDerWaalsContact C-N 3.32Å; S267-G270 PolarHBondContact O-N 3.08Å
268	E	87.6	Confident	90.8	Very high	71 Å²	71	31.6 Å²	31.6	33%	0.332	16%	0.16	S	C	.	.	H	α-helix	trans	-62.4	-45.9	-178	-175	172	-173.7	0	0	111.6	Y218 V230 Q264 L265 G270	Y218-E268 HydrophobicContact CD2-CG 4.48Å; Y218-E268 WeakPolarHBondContact CD2-O 3.25Å; Y218-E268 HydrophobicContact CE2-CG 3.82Å; Y218-E268 PolarHBondContact OH-OE1 3.5Å; V230-E268 WeakPolarHBondContact CG1-OE1 2.98Å; Q264-E268 PolarHBondContact O-N 3.22Å; L265-E268 PolarHBondContact O-N 2.88Å; E268-G270 PolarHBondContact O-N 2.93Å
269	F	88.9	Confident	90.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	0.6	179.1	-62.3	-27.3	0	0	0	114.4	F186 Y218 F219 V230 I243 I244 L265 L271	F186-F269 HydrophobicContact CE1-CZ 4.05Å; F186-F269 HydrophobicContact CZ-CZ 4Å; Y218-F269 AromaticContact CD1-CD1 3.69Å; Y218-F269 HydrophobicContact CD1-CD1 3.69Å; Y218-F269 HydrophobicContact CD1-CE1 4.07Å; Y218-F269 HydrophobicContact CD2-CD1 4.32Å; Y218-F269 AromaticContact CE1-CD1 3.85Å; Y218-F269 HydrophobicContact CE1-CD1 3.85Å; Y218-F269 AromaticContact CE1-CE1 3.79Å; Y218-F269 HydrophobicContact CE1-CE1 3.79Å; Y218-F269 HydrophobicContact CE2-CD1 4.44Å; Y218-F269 AromaticContact CG-CD1 3.94Å; Y218-F269 HydrophobicContact CG-CD1 3.94Å; F219-F269 HydrophobicContact CE2-CD1 4.2Å; F219-F269 HydrophobicContact CE2-CG 4.32Å; F219-F269 HydrophobicContact CZ-CD1 4.02Å; F219-F269 AromaticContact CZ-CE1 3.92Å; F219-F269 HydrophobicContact CZ-CE1 3.92Å; F219-F269 HydrophobicContact CZ-CG 4.43Å; F219-F269 HydrophobicContact CZ-CZ 4.24Å; V230-F269 HydrophobicContact CG1-CE1 4.2Å; V230-F269 HydrophobicContact CG1-CZ 4.38Å; V230-F269 HydrophobicContact CG2-CE1 4.27Å; I243-F269 HydrophobicContact CG1-CD2 3.97Å; I243-F269 HydrophobicContact CG1-CE2 4.09Å; I243-F269 HydrophobicContact CG2-CE2 3.85Å; I244-F269 HydrophobicContact CD1-CE2 4.06Å; I244-F269 HydrophobicContact CD1-CZ 4.34Å; L265-F269 WeakPolarHBondContact O-CB 3.21Å; L265-F269 WeakPolarHBondContact O-CG 3.35Å; L265-F269 PolarHBondContact O-N 2.97Å; F269-L271 VanDerWaalsContact C-N 3.33Å; F269-L271 HydrophobicContact CB-CD1 4.1Å; F269-L271 HydrophobicContact CB-CG 3.88Å; F269-L271 HydrophobicContact CD2-CD1 4.5Å; F269-L271 PolarHBondContact O-N 3.12Å
270	G	88.4	Confident	90.8	Very high	45 Å²	45	35.7 Å²	35.7	46%	0.464	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	28.6	179.7	0	0	0	0	0	113.9	A266 S267 E268 R272	A266-G270 PolarHBondContact O-N 2.77Å; A266-G270 VanDerWaalsContact O-N 3.16Å; S267-G270 PolarHBondContact O-N 3.08Å; E268-G270 PolarHBondContact O-N 2.93Å; G270-R272 VanDerWaalsContact C-N 3.33Å; G270-R272 PolarHBondContact O-N 2.77Å
271	L	92.1	Very high	90.8	Very high	5 Å²	5	33 Å²	33	3%	0.026	17%	0.166	C	C	.	.			trans	-84	69	-178.3	-57	176.6	0	0	0	111.3	Y216 I243 Y246 L247 A266 F269 K273 L274 F275	Y216-L271 HydrophobicContact CD1-CD2 3.36Å; Y216-L271 HydrophobicContact CE1-CD2 3.44Å; Y216-L271 VanDerWaalsContact CE1-CD2 3.44Å; Y216-L271 HydrophobicContact CG-CD2 4.38Å; I243-L271 HydrophobicContact CD1-CD1 3.92Å; I243-L271 HydrophobicContact CG1-CD1 4.3Å; Y246-L271 HydrophobicContact CD1-CD1 3.96Å; Y246-L271 HydrophobicContact CE1-CD1 4.01Å; L247-L271 HydrophobicContact CD2-CD1 3.81Å; L247-L271 HydrophobicContact CD2-CD2 3.64Å; L247-L271 HydrophobicContact CD2-CG 4.31Å; A266-L271 HydrophobicContact CB-CB 4.15Å; A266-L271 PolarHBondContact O-N 2.97Å; F269-L271 VanDerWaalsContact C-N 3.33Å; F269-L271 HydrophobicContact CB-CD1 4.1Å; F269-L271 HydrophobicContact CB-CG 3.88Å; F269-L271 HydrophobicContact CD2-CD1 4.5Å; F269-L271 PolarHBondContact O-N 3.12Å; L271-K273 PolarHBondContact O-N 3.45Å; L271-L274 HydrophobicContact CB-CB 4.1Å; L271-L274 HydrophobicContact CD1-CD2 4.05Å; L271-L274 PolarHBondContact O-N 3.13Å; L271-L274 VanDerWaalsContact O-N 3.09Å; L271-F275 WeakPolarHBondContact O-CB 3.38Å; L271-F275 PolarHBondContact O-N 3.37Å
272	R	89.8	Confident	90.7	Very high	168 Å²	168	33 Å²	33	63%	0.634	17%	0.165	S	C	*	.	H	α-helix	trans	-47.6	-50.8	-171.4	-173.2	178.7	66.6	79.5	-2.5	114.7	G270 L274 F275 E276	G270-R272 VanDerWaalsContact C-N 3.33Å; G270-R272 PolarHBondContact O-N 2.77Å; R272-L274 PolarHBondContact O-N 3.28Å; R272-F275 WeakPolarHBondContact O-CB 3Å; R272-F275 PolarHBondContact O-N 3.31Å; R272-E276 HydrophobicContact CG-CG 4.46Å; R272-E276 VanDerWaalsContact CG-OE1 3.22Å; R272-E276 WeakPolarHBondContact CG-OE1 3.44Å; R272-E276 IonicContact CZ-OE1 2.92Å; R272-E276 IonicContact NH1-OE1 2.74Å; R272-E276 PolarHBondContact NH1-OE1 3.31Å; R272-E276 IonicContact NH1-OE2 2.63Å; R272-E276 PolarHBondContact NH1-OE2 3.01Å; R272-E276 VanDerWaalsContact O-CG 3.3Å; R272-E276 WeakPolarHBondContact O-CG 3.18Å; R272-E276 PolarHBondContact O-N 3.42Å
273	K	90.5	Very high	90.6	Very high	83 Å²	83	33.2 Å²	33.2	36%	0.361	17%	0.167	S	C	.	.	H	α-helix	trans	-66.5	-39.3	-177.1	-178.2	56.3	179.2	156	0	112.7	L271 D277	L271-K273 PolarHBondContact O-N 3.45Å; K273-D277 WeakPolarHBondContact CE-OD2 3.33Å; K273-D277 IonicContact NZ-OD1 3.65Å; K273-D277 PolarHBondContact NZ-OD1 2.63Å; K273-D277 IonicContact NZ-OD2 2.69Å; K273-D277 PolarHBondContact NZ-OD2 3.28Å; K273-D277 WeakPolarHBondContact O-CB 3.39Å; K273-D277 PolarHBondContact O-N 3.36Å; K273-D277 VanDerWaalsContact O-N 3.12Å
274	L	93.3	Very high	90.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.5	-42.5	175.1	-179.7	62.8	0	0	0	111.1	L160 I243 Y246 I252 A266 L271 R272 D277 V278	L160-L274 HydrophobicContact CD1-CD1 3.88Å; I243-L274 HydrophobicContact CD1-CD2 3.37Å; Y246-L274 HydrophobicContact CD1-CD2 3.69Å; Y246-L274 HydrophobicContact CD2-CD1 4.45Å; Y246-L274 HydrophobicContact CD2-CD2 4.28Å; Y246-L274 HydrophobicContact CE1-CB 3.94Å; Y246-L274 HydrophobicContact CE1-CD2 3.66Å; Y246-L274 HydrophobicContact CE1-CG 4.3Å; Y246-L274 HydrophobicContact CE2-CB 4.48Å; Y246-L274 HydrophobicContact CE2-CD1 4.03Å; Y246-L274 HydrophobicContact CE2-CD2 4.25Å; Y246-L274 HydrophobicContact CE2-CG 4.49Å; Y246-L274 HydrophobicContact CG-CD2 4.02Å; I252-L274 HydrophobicContact CG2-CD1 3.54Å; A266-L274 HydrophobicContact CB-CB 4.29Å; A266-L274 HydrophobicContact CB-CD2 4.02Å; A266-L274 HydrophobicContact CB-CG 4.05Å; L271-L274 HydrophobicContact CB-CB 4.1Å; L271-L274 HydrophobicContact CD1-CD2 4.05Å; L271-L274 PolarHBondContact O-N 3.13Å; L271-L274 VanDerWaalsContact O-N 3.09Å; R272-L274 PolarHBondContact O-N 3.28Å; L274-D277 PolarHBondContact O-N 2.97Å; L274-V278 HydrophobicContact CD1-CG2 3.65Å; L274-V278 HydrophobicContact CG-CG2 4.01Å; L274-V278 VanDerWaalsContact O-CB 3.32Å; L274-V278 WeakPolarHBondContact O-CB 3.48Å; L274-V278 WeakPolarHBondContact O-CG2 3.23Å; L274-V278 PolarHBondContact O-N 3.09Å
275	F	92.6	Very high	89.9	Confident	23 Å²	23	35 Å²	35	10%	0.101	18%	0.177	C	C	.	.	H	α-helix	trans	-56.1	-51.6	176.7	174.9	-97.2	0	0	0	111.2	H263 A266 L271 R272 D277 G279 D307	H263-F275 AromaticContact CE1-CD2 3.61Å; H263-F275 AromaticContact CE1-CE2 3.04Å; H263-F275 WeakPolarHBondContact CE1-CE2 3.47Å; H263-F275 AromaticContact CE1-CZ 3.52Å; H263-F275 AromaticContact ND1-CD2 3.79Å; H263-F275 AromaticContact ND1-CE2 3.46Å; H263-F275 WeakPolarHBondContact ND1-CE2 3.44Å; H263-F275 AromaticContact NE2-CD2 3.85Å; H263-F275 AromaticContact NE2-CE2 3.64Å; H263-F275 AromaticContact NE2-CZ 3.97Å; A266-F275 HydrophobicContact CB-CB 3.98Å; L271-F275 WeakPolarHBondContact O-CB 3.38Å; L271-F275 PolarHBondContact O-N 3.37Å; R272-F275 WeakPolarHBondContact O-CB 3Å; R272-F275 PolarHBondContact O-N 3.31Å; F275-D277 PolarHBondContact O-N 2.92Å; F275-G279 PolarHBondContact O-N 2.83Å; F275-D307 HydrophobicContact CE1-CB 3.64Å; F275-D307 HydrophobicContact CZ-CB 3.53Å
276	E	90.9	Very high	89.7	Confident	42 Å²	42	34.9 Å²	34.9	20%	0.196	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-47.3	177.9	-70.1	168.3	-176.1	0	0	112.3	R272 G279 Q280 I309	R272-E276 HydrophobicContact CG-CG 4.46Å; R272-E276 VanDerWaalsContact CG-OE1 3.22Å; R272-E276 WeakPolarHBondContact CG-OE1 3.44Å; R272-E276 IonicContact CZ-OE1 2.92Å; R272-E276 IonicContact NH1-OE1 2.74Å; R272-E276 PolarHBondContact NH1-OE1 3.31Å; R272-E276 IonicContact NH1-OE2 2.63Å; R272-E276 PolarHBondContact NH1-OE2 3.01Å; R272-E276 VanDerWaalsContact O-CG 3.3Å; R272-E276 WeakPolarHBondContact O-CG 3.18Å; R272-E276 PolarHBondContact O-N 3.42Å; E276-G279 PolarHBondContact O-N 3.15Å; E276-Q280 WeakPolarHBondContact O-CG 3.26Å; E276-Q280 PolarHBondContact O-N 3.17Å; E276-I309 HydrophobicContact CB-CD1 4.09Å; E276-I309 HydrophobicContact CG-CD1 3.85Å
277	D	91.2	Very high	89.4	Confident	20 Å²	20	35.6 Å²	35.6	11%	0.107	18%	0.181	C	C	.	.	H	α-helix	trans	-74.1	-34.4	-175.5	-72.4	4.7	0	0	0	112.4	L160 H162 K273 L274 F275 G279 Q280 V281	L160-D277 HydrophobicContact CD1-CB 4.07Å; L160-D277 HydrophobicContact CD2-CB 4.22Å; H162-D277 IonicContact CD2-OD2 2.72Å; H162-D277 IonicContact CE1-OD2 3.33Å; H162-D277 IonicContact NE2-OD2 3.99Å; H162-D277 PolarHBondContact NE2-OD2 2.86Å; K273-D277 WeakPolarHBondContact CE-OD2 3.33Å; K273-D277 IonicContact NZ-OD1 3.65Å; K273-D277 PolarHBondContact NZ-OD1 2.63Å; K273-D277 IonicContact NZ-OD2 2.69Å; K273-D277 PolarHBondContact NZ-OD2 3.28Å; K273-D277 WeakPolarHBondContact O-CB 3.39Å; K273-D277 PolarHBondContact O-N 3.36Å; K273-D277 VanDerWaalsContact O-N 3.12Å; L274-D277 PolarHBondContact O-N 2.97Å; F275-D277 PolarHBondContact O-N 2.92Å; D277-G279 VanDerWaalsContact C-N 3.33Å; D277-Q280 PolarHBondContact O-N 3.15Å; D277-V281 WeakPolarHBondContact O-CG2 3.32Å; D277-V281 PolarHBondContact O-N 3.38Å; D277-V281 VanDerWaalsContact O-N 3.12Å
278	V	92.4	Very high	88.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.4	-38.3	170.1	177.2	0	0	0	0	110.3	L160 V254 A259 L262 H263 L274 Q280 V281 I282	L160-V278 HydrophobicContact CD1-CG2 3.78Å; V254-V278 HydrophobicContact CG1-CG1 4.47Å; V254-V278 HydrophobicContact CG2-CG2 4.16Å; A259-V278 HydrophobicContact CB-CG1 4.19Å; A259-V278 WeakPolarHBondContact O-CG1 3.43Å; L262-V278 HydrophobicContact CB-CG1 4.5Å; H263-V278 HydrophobicContact CB-CG1 3.81Å; L274-V278 HydrophobicContact CD1-CG2 3.65Å; L274-V278 HydrophobicContact CG-CG2 4.01Å; L274-V278 VanDerWaalsContact O-CB 3.32Å; L274-V278 WeakPolarHBondContact O-CB 3.48Å; L274-V278 WeakPolarHBondContact O-CG2 3.23Å; L274-V278 PolarHBondContact O-N 3.09Å; V278-Q280 VanDerWaalsContact C-N 3.29Å; V278-Q280 PolarHBondContact O-N 2.91Å; V278-V281 WeakPolarHBondContact O-CA 3.14Å; V278-V281 WeakPolarHBondContact O-CB 3.38Å; V278-V281 PolarHBondContact O-N 3.44Å; V278-I282 HydrophobicContact CG1-CD1 4.27Å; V278-I282 HydrophobicContact CG1-CG1 4.5Å; V278-I282 WeakPolarHBondContact O-CG1 3.44Å; V278-I282 PolarHBondContact O-N 2.95Å
279	G	90.6	Very high	88.7	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-57.1	-41.7	173	0	0	0	0	0	112.1	F275 E276 D277 V281 I282 S283	F275-G279 PolarHBondContact O-N 2.83Å; E276-G279 PolarHBondContact O-N 3.15Å; D277-G279 VanDerWaalsContact C-N 3.33Å; G279-V281 VanDerWaalsContact C-N 3.33Å; G279-V281 PolarHBondContact O-N 2.96Å; G279-I282 PolarHBondContact O-N 3.44Å; G279-S283 PolarHBondContact O-N 3.32Å
280	Q	88	Confident	88.4	Confident	92 Å²	92	40.2 Å²	40.2	43%	0.43	22%	0.217	S	C	.	.	H	α-helix	trans	-65.9	-31	172.8	-66.6	178.3	12.5	0	0	113.5	E276 D277 V278 S283 K284 I309	E276-Q280 WeakPolarHBondContact O-CG 3.26Å; E276-Q280 PolarHBondContact O-N 3.17Å; D277-Q280 PolarHBondContact O-N 3.15Å; V278-Q280 VanDerWaalsContact C-N 3.29Å; V278-Q280 PolarHBondContact O-N 2.91Å; Q280-S283 PolarHBondContact O-OG 3.41Å; Q280-K284 WeakPolarHBondContact O-CG 3.49Å; Q280-I309 HydrophobicContact CG-CG2 4.35Å
281	V	88.8	Confident	88.3	Confident	5 Å²	5	39.7 Å²	39.7	3%	0.03	21%	0.206	C	C	.	.	H	α-helix	trans	-69.6	-41.4	172.7	173.4	0	0	0	0	110.7	F158 V254 A259 D277 V278 G279 S283 K284	F158-V281 HydrophobicContact CB-CG1 4.4Å; F158-V281 HydrophobicContact CB-CG2 3.95Å; F158-V281 HydrophobicContact CD1-CG2 4.4Å; F158-V281 HydrophobicContact CD2-CG1 3.43Å; F158-V281 VanDerWaalsContact CD2-CG1 3.43Å; F158-V281 HydrophobicContact CD2-CG2 4.38Å; F158-V281 HydrophobicContact CE2-CG1 3.79Å; F158-V281 HydrophobicContact CG-CG1 3.9Å; F158-V281 HydrophobicContact CG-CG2 3.99Å; V254-V281 HydrophobicContact CG1-CG1 4.1Å; A259-V281 HydrophobicContact CB-CG1 4.47Å; D277-V281 WeakPolarHBondContact O-CG2 3.32Å; D277-V281 PolarHBondContact O-N 3.38Å; D277-V281 VanDerWaalsContact O-N 3.12Å; V278-V281 WeakPolarHBondContact O-CA 3.14Å; V278-V281 WeakPolarHBondContact O-CB 3.38Å; V278-V281 PolarHBondContact O-N 3.44Å; G279-V281 VanDerWaalsContact C-N 3.33Å; G279-V281 PolarHBondContact O-N 2.96Å; V281-S283 VanDerWaalsContact C-N 3.33Å; V281-S283 PolarHBondContact O-N 2.97Å; V281-K284 WeakPolarHBondContact O-CB 3.36Å; V281-K284 PolarHBondContact O-N 2.85Å
282	I	89.2	Confident	88.3	Confident	7 Å²	7	39.8 Å²	39.8	4%	0.036	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-42.6	176.5	-66.1	170.6	0	0	0	110.5	A259 M260 H263 V278 G279 K284 S285 L298 L310	A259-I282 HydrophobicContact CB-CD1 4.37Å; A259-I282 HydrophobicContact CB-CG1 3.69Å; M260-I282 HydrophobicContact CE-CD1 4.38Å; H263-I282 HydrophobicContact CB-CD1 3.84Å; V278-I282 HydrophobicContact CG1-CD1 4.27Å; V278-I282 HydrophobicContact CG1-CG1 4.5Å; V278-I282 WeakPolarHBondContact O-CG1 3.44Å; V278-I282 PolarHBondContact O-N 2.95Å; G279-I282 PolarHBondContact O-N 3.44Å; I282-K284 PolarHBondContact O-N 2.96Å; I282-S285 WeakPolarHBondContact O-CB 3.32Å; I282-S285 PolarHBondContact O-N 3.5Å; I282-S285 PolarHBondContact O-OG 3.5Å; I282-L298 HydrophobicContact CG2-CD1 4.17Å; I282-L298 HydrophobicContact CG2-CD2 3.69Å; I282-L310 HydrophobicContact CB-CD1 4.22Å; I282-L310 HydrophobicContact CG2-CD1 3.93Å; I282-L310 HydrophobicContact CG2-CD2 4.3Å
283	S	89.1	Confident	88.3	Confident	8 Å²	8	37.4 Å²	37.4	6%	0.056	20%	0.198	C	C	.	.	H	α-helix	trans	-59.1	-32.9	-179.7	72.3	0	0	0	0	111.9	G279 Q280 V281 S285 L286 Y580	G279-S283 PolarHBondContact O-N 3.32Å; Q280-S283 PolarHBondContact O-OG 3.41Å; V281-S283 VanDerWaalsContact C-N 3.33Å; V281-S283 PolarHBondContact O-N 2.97Å; S283-S285 PolarHBondContact O-N 2.84Å; S283-L286 VanDerWaalsContact O-CB 3.25Å; S283-L286 WeakPolarHBondContact O-CB 3.38Å; S283-L286 WeakPolarHBondContact O-CD1 3.47Å; S283-L286 WeakPolarHBondContact O-CG 3.44Å; S283-L286 PolarHBondContact O-N 3.11Å; S283-Y580 VanDerWaalsContact O-CE1 3.29Å; S283-Y580 WeakPolarHBondContact O-CE1 2.99Å
284	K	85.7	Confident	88.2	Confident	82 Å²	82	35.3 Å²	35.3	36%	0.357	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.4	175.2	-65.2	175.9	-176	-178.7	0	114.6	F158 Y256 Q280 V281 I282 P287	F158-K284 HydrophobicContact CE1-CD 3.96Å; F158-K284 HydrophobicContact CZ-CD 4.28Å; Y256-K284 HydrophobicContact CE1-CB 4.36Å; Q280-K284 WeakPolarHBondContact O-CG 3.49Å; V281-K284 WeakPolarHBondContact O-CB 3.36Å; V281-K284 PolarHBondContact O-N 2.85Å; I282-K284 PolarHBondContact O-N 2.96Å; K284-P287 WeakPolarHBondContact O-CD 3.35Å
285	S	84.6	Confident	88.2	Confident	28 Å²	28	35.3 Å²	35.3	20%	0.196	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-7.5	174.9	70.1	0	0	0	0	114.4	I282 S283 P287 N288	I282-S285 WeakPolarHBondContact O-CB 3.32Å; I282-S285 PolarHBondContact O-N 3.5Å; I282-S285 PolarHBondContact O-OG 3.5Å; S283-S285 PolarHBondContact O-N 2.84Å; S285-P287 VanDerWaalsContact C-N 3.29Å; S285-N288 WeakPolarHBondContact O-CB 3.26Å; S285-N288 PolarHBondContact O-N 2.74Å; S285-N288 VanDerWaalsContact O-N 3.09Å; S285-N288 PolarHBondContact O-ND2 3.07Å
286	L	86.9	Confident	88.1	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-54	-35.2	-178.6	-68.3	168.6	0	0	0	113.8	S283 N288 Q295 L298 Y317 Y580	S283-L286 VanDerWaalsContact O-CB 3.25Å; S283-L286 WeakPolarHBondContact O-CB 3.38Å; S283-L286 WeakPolarHBondContact O-CD1 3.47Å; S283-L286 WeakPolarHBondContact O-CG 3.44Å; S283-L286 PolarHBondContact O-N 3.11Å; L286-N288 PolarHBondContact O-N 3.17Å; L286-Q295 HydrophobicContact CB-CG 4.32Å; L286-Q295 HydrophobicContact CD2-CB 4.08Å; L286-Q295 HydrophobicContact CD2-CG 3.64Å; L286-Q295 PolarHBondContact O-NE2 2.92Å; L286-L298 HydrophobicContact CD2-CD1 3.75Å; L286-Y317 HydrophobicContact CB-CD1 4.09Å; L286-Y317 HydrophobicContact CB-CD2 4.25Å; L286-Y317 HydrophobicContact CB-CE1 4.42Å; L286-Y317 HydrophobicContact CB-CG 4.01Å; L286-Y317 HydrophobicContact CD1-CG 4.33Å; L286-Y580 HydrophobicContact CB-CE1 4.35Å
287	P	86.2	Confident	88.1	Confident	16 Å²	16	35.8 Å²	35.8	10%	0.104	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-70.3	-11.8	179.4	-21	33.7	0	0	0	116.1	K284 S285 D289 Y317 Y560 Y580	K284-P287 WeakPolarHBondContact O-CD 3.35Å; S285-P287 VanDerWaalsContact C-N 3.29Å; P287-D289 VanDerWaalsContact C-N 3.32Å; P287-D289 PolarHBondContact O-N 3.27Å; P287-Y317 WeakPolarHBondContact CA-OH 3.48Å; P287-Y317 HydrophobicContact CB-CE2 4.38Å; P287-Y317 HydrophobicContact CG-CE2 4.04Å; P287-Y560 HydrophobicContact CB-CD2 4.33Å; P287-Y560 HydrophobicContact CB-CE2 3.84Å; P287-Y580 HydrophobicContact CG-CD1 3.37Å; P287-Y580 HydrophobicContact CG-CE1 4.16Å; P287-Y580 HydrophobicContact CG-CG 3.62Å
288	N	81.1	Confident	88.2	Confident	91 Å²	91	35.7 Å²	35.7	49%	0.487	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-71.6	-26.1	-168.7	-66.3	-13.2	0	0	0	113.5	S285 L286	S285-N288 WeakPolarHBondContact O-CB 3.26Å; S285-N288 PolarHBondContact O-N 2.74Å; S285-N288 VanDerWaalsContact O-N 3.09Å; S285-N288 PolarHBondContact O-ND2 3.07Å; L286-N288 PolarHBondContact O-N 3.17Å
289	D	82.2	Confident	88.3	Confident	38 Å²	38	36.6 Å²	36.6	20%	0.203	21%	0.207	C	C	.	.			trans	-108.9	108.8	-177.6	179.6	13.2	0	0	0	111.2	P287 S291 Y293 S294 Q295	P287-D289 VanDerWaalsContact C-N 3.32Å; P287-D289 PolarHBondContact O-N 3.27Å; D289-S291 PolarHBondContact O-N 3.49Å; D289-S291 VanDerWaalsContact OD1-CB 3.31Å; D289-S291 WeakPolarHBondContact OD1-CB 3.42Å; D289-S291 PolarHBondContact OD1-N 2.96Å; D289-S291 PolarHBondContact OD1-OG 2.76Å; D289-S291 PolarHBondContact OD2-OG 3.06Å; D289-S291 VanDerWaalsContact OD2-OG 3.13Å; D289-Y293 PolarHBondContact OD2-N 3.19Å; D289-S294 WeakPolarHBondContact CB-OG 3.41Å; D289-S294 WeakPolarHBondContact OD2-CB 3.46Å; D289-S294 PolarHBondContact OD2-N 3.32Å; D289-S294 PolarHBondContact OD2-OG 3.03Å; D289-Q295 PolarHBondContact O-NE2 2.75Å
290	A	82.8	Confident	88.4	Confident	91 Å²	91	41.3 Å²	41.3	75%	0.752	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-13	177.5	0	0	0	0	0	113.7
291	S	86.4	Confident	88.6	Confident	34 Å²	34	38.3 Å²	38.3	24%	0.238	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-10	-176	72.6	0	0	0	0	114.4	D289 Y293 V330	D289-S291 PolarHBondContact O-N 3.49Å; D289-S291 VanDerWaalsContact OD1-CB 3.31Å; D289-S291 WeakPolarHBondContact OD1-CB 3.42Å; D289-S291 PolarHBondContact OD1-N 2.96Å; D289-S291 PolarHBondContact OD1-OG 2.76Å; D289-S291 PolarHBondContact OD2-OG 3.06Å; D289-S291 VanDerWaalsContact OD2-OG 3.13Å; S291-Y293 VanDerWaalsContact C-N 3.26Å; S291-Y293 PolarHBondContact O-N 3.26Å; S291-Y293 VanDerWaalsContact OG-CD2 3.29Å; S291-Y293 WeakPolarHBondContact OG-CD2 3.28Å; S291-V330 VanDerWaalsContact O-CG2 3.27Å; S291-V330 WeakPolarHBondContact O-CG2 3.48Å
292	F	91.8	Very high	88.8	Confident	7 Å²	7	38.1 Å²	38.1	3%	0.031	21%	0.211	C	C	.	.	S	Bend	trans	71.1	0.7	-176	-65.7	-90.9	0	0	0	116.5	Q295 V296 Y317 M318 N321 L325	F292-Q295 PolarHBondContact O-OE1 2.92Å; F292-V296 WeakPolarHBondContact O-CG2 3.39Å; F292-V296 PolarHBondContact O-N 2.98Å; F292-Y317 HydrophobicContact CE1-CE1 4.09Å; F292-M318 HydrophobicContact CD1-CG 4.08Å; F292-M318 HydrophobicContact CE1-CG 4.41Å; F292-N321 HydrophobicContact CE1-CB 4.1Å; F292-N321 HydrophobicContact CZ-CB 3.87Å; F292-L325 HydrophobicContact CB-CD1 3.67Å; F292-L325 HydrophobicContact CD1-CB 4.31Å; F292-L325 HydrophobicContact CD1-CD1 3.73Å; F292-L325 HydrophobicContact CD2-CD1 4.22Å; F292-L325 HydrophobicContact CE1-CB 4.16Å; F292-L325 HydrophobicContact CE1-CD1 4.41Å; F292-L325 HydrophobicContact CE2-CB 4.37Å; F292-L325 HydrophobicContact CG-CB 4.48Å; F292-L325 HydrophobicContact CG-CD1 3.61Å; F292-L325 HydrophobicContact CZ-CB 4.18Å
293	Y	89.9	Confident	89	Confident	118 Å²	118	41.1 Å²	41.1	46%	0.463	23%	0.23	S	C	.	.	H	α-helix	trans	-65.3	-44.3	179.8	-82.7	-71.8	0	0	0	112.3	D289 S291 Q295 S297 P329 V330	D289-Y293 PolarHBondContact OD2-N 3.19Å; S291-Y293 VanDerWaalsContact C-N 3.26Å; S291-Y293 PolarHBondContact O-N 3.26Å; S291-Y293 VanDerWaalsContact OG-CD2 3.29Å; S291-Y293 WeakPolarHBondContact OG-CD2 3.28Å; Y293-Q295 VanDerWaalsContact C-N 3.32Å; Y293-Q295 PolarHBondContact O-N 3.44Å; Y293-S297 WeakPolarHBondContact O-CB 3.47Å; Y293-S297 PolarHBondContact O-N 3.39Å; Y293-S297 PolarHBondContact O-OG 3.04Å; Y293-P329 HydrophobicContact CE2-CG 3.91Å; Y293-V330 HydrophobicContact CD1-CG2 3.48Å; Y293-V330 VanDerWaalsContact CD1-CG2 3.48Å; Y293-V330 HydrophobicContact CD2-CG2 3.66Å; Y293-V330 HydrophobicContact CE1-CG2 3.53Å; Y293-V330 HydrophobicContact CE2-CG2 3.69Å; Y293-V330 HydrophobicContact CG-CG2 3.53Å
294	S	88.7	Confident	89	Confident	39 Å²	39	48 Å²	48	27%	0.273	26%	0.261	S	S	.	.	H	α-helix	trans	-64.1	-38.2	-178.9	72.9	0	0	0	0	111.9	D289 S297 L298	D289-S294 WeakPolarHBondContact CB-OG 3.41Å; D289-S294 WeakPolarHBondContact OD2-CB 3.46Å; D289-S294 PolarHBondContact OD2-N 3.32Å; D289-S294 PolarHBondContact OD2-OG 3.03Å; S294-S297 PolarHBondContact O-N 3.33Å; S294-L298 VanDerWaalsContact O-CB 3.31Å; S294-L298 WeakPolarHBondContact O-CB 3.33Å; S294-L298 VanDerWaalsContact O-CG 3.24Å; S294-L298 WeakPolarHBondContact O-CG 3.33Å; S294-L298 PolarHBondContact O-N 3.42Å
295	Q	92.3	Very high	89.2	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-71.3	-42.2	-177.3	-61.2	85.8	-21.1	0	0	111	L286 D289 F292 Y293 S297 Y299 Y317 M318	L286-Q295 HydrophobicContact CB-CG 4.32Å; L286-Q295 HydrophobicContact CD2-CB 4.08Å; L286-Q295 HydrophobicContact CD2-CG 3.64Å; L286-Q295 PolarHBondContact O-NE2 2.92Å; D289-Q295 PolarHBondContact O-NE2 2.75Å; F292-Q295 PolarHBondContact O-OE1 2.92Å; Y293-Q295 VanDerWaalsContact C-N 3.32Å; Y293-Q295 PolarHBondContact O-N 3.44Å; Q295-S297 VanDerWaalsContact C-N 3.35Å; Q295-Y299 WeakPolarHBondContact O-CB 3.11Å; Q295-Y299 PolarHBondContact O-N 2.93Å; Q295-Y317 HydrophobicContact CG-CD1 3.92Å; Q295-Y317 HydrophobicContact CG-CE1 3.96Å; Q295-M318 HydrophobicContact CB-CG 4.25Å; Q295-M318 HydrophobicContact CB-SD 4.25Å
296	V	92.5	Very high	89.5	Confident	6 Å²	6	52.7 Å²	52.7	4%	0.036	28%	0.28	C	S	.	.	H	α-helix	trans	-67.6	-37.3	174	174.6	0	0	0	0	111.2	F292 Y299 K300 M318 V330 L334 L338	F292-V296 WeakPolarHBondContact O-CG2 3.39Å; F292-V296 PolarHBondContact O-N 2.98Å; V296-Y299 WeakPolarHBondContact O-CB 3.5Å; V296-Y299 PolarHBondContact O-N 3.2Å; V296-K300 WeakPolarHBondContact O-CG 3.43Å; V296-K300 PolarHBondContact O-N 3.07Å; V296-M318 HydrophobicContact CG2-SD 3.84Å; V296-V330 HydrophobicContact CB-CG1 4.23Å; V296-V330 HydrophobicContact CG1-CG1 4.45Å; V296-V330 HydrophobicContact CG2-CG1 3.75Å; V296-L334 HydrophobicContact CG2-CD1 4.27Å; V296-L338 HydrophobicContact CG1-CD2 4.48Å; V296-L338 HydrophobicContact CG2-CD2 4.09Å
297	S	90.9	Very high	89.7	Confident	68 Å²	68	52.9 Å²	52.9	48%	0.476	28%	0.281	S	S	.	.	H	α-helix	trans	-67	-43.4	176.3	-57.2	0	0	0	0	111.9	Y293 S294 Q295 Y299 K300 Y301	Y293-S297 WeakPolarHBondContact O-CB 3.47Å; Y293-S297 PolarHBondContact O-N 3.39Å; Y293-S297 PolarHBondContact O-OG 3.04Å; S294-S297 PolarHBondContact O-N 3.33Å; Q295-S297 VanDerWaalsContact C-N 3.35Å; S297-Y299 VanDerWaalsContact C-N 3.33Å; S297-Y299 PolarHBondContact O-N 3.24Å; S297-K300 PolarHBondContact O-N 3.31Å; S297-Y301 PolarHBondContact O-N 2.95Å
298	L	92.8	Very high	89.9	Confident	19 Å²	19	56.9 Å²	56.9	10%	0.099	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-38.4	174.2	-77	171.7	0	0	0	111.9	M260 I282 L286 S294 Y301 A302	M260-L298 HydrophobicContact CE-CD2 3.49Å; M260-L298 VanDerWaalsContact CE-CD2 3.49Å; I282-L298 HydrophobicContact CG2-CD1 4.17Å; I282-L298 HydrophobicContact CG2-CD2 3.69Å; L286-L298 HydrophobicContact CD2-CD1 3.75Å; S294-L298 VanDerWaalsContact O-CB 3.31Å; S294-L298 WeakPolarHBondContact O-CB 3.33Å; S294-L298 VanDerWaalsContact O-CG 3.24Å; S294-L298 WeakPolarHBondContact O-CG 3.33Å; S294-L298 PolarHBondContact O-N 3.42Å; L298-Y301 PolarHBondContact O-N 3.05Å; L298-A302 VanDerWaalsContact O-CB 3.31Å; L298-A302 WeakPolarHBondContact O-CB 3.49Å; L298-A302 PolarHBondContact O-N 3.02Å
299	Y	94.6	Very high	90.3	Very high	18 Å²	18	55.5 Å²	55.5	7%	0.071	29%	0.294	C	S	.	.	H	α-helix	trans	-59.4	-48.1	172.3	168.6	-96	0	0	0	111.7	Q295 V296 S297 Y301 A302 V303 R311 V315 L338	Q295-Y299 WeakPolarHBondContact O-CB 3.11Å; Q295-Y299 PolarHBondContact O-N 2.93Å; V296-Y299 WeakPolarHBondContact O-CB 3.5Å; V296-Y299 PolarHBondContact O-N 3.2Å; S297-Y299 VanDerWaalsContact C-N 3.33Å; S297-Y299 PolarHBondContact O-N 3.24Å; Y299-Y301 VanDerWaalsContact C-N 3.35Å; Y299-Y301 PolarHBondContact O-N 2.7Å; Y299-A302 PolarHBondContact O-N 3.17Å; Y299-V303 HydrophobicContact CD1-CG2 4.49Å; Y299-V303 HydrophobicContact CD2-CG2 4.4Å; Y299-V303 HydrophobicContact CE1-CG2 4.03Å; Y299-V303 HydrophobicContact CE2-CG2 3.94Å; Y299-V303 WeakPolarHBondContact O-CG2 3.43Å; Y299-V303 PolarHBondContact O-N 2.98Å; Y299-R311 HydrophobicContact CD2-CG 3.76Å; Y299-R311 HydrophobicContact CE2-CG 3.59Å; Y299-V315 HydrophobicContact CD2-CG2 3.71Å; Y299-V315 HydrophobicContact CE2-CG2 3.64Å; Y299-L338 HydrophobicContact CD1-CB 4.32Å; Y299-L338 HydrophobicContact CD1-CD1 4.24Å; Y299-L338 HydrophobicContact CD1-CD2 4.04Å; Y299-L338 HydrophobicContact CD1-CG 4.43Å; Y299-L338 HydrophobicContact CD2-CD1 3.94Å; Y299-L338 HydrophobicContact CE1-CB 3.78Å; Y299-L338 HydrophobicContact CE1-CD1 4.18Å; Y299-L338 HydrophobicContact CE1-CD2 4.36Å; Y299-L338 HydrophobicContact CE1-CG 4.32Å; Y299-L338 HydrophobicContact CE2-CD1 3.85Å; Y299-L338 HydrophobicContact CG-CD1 4.13Å; Y299-L338 HydrophobicContact CG-CD2 4.37Å
300	K	92.9	Very high	90.7	Very high	101 Å²	101	53.7 Å²	53.7	44%	0.439	28%	0.284	S	S	.	.	H	α-helix	trans	-58.9	-47.5	177.5	-71.3	174.7	-178.6	179.6	0	111.2	V296 S297 A302 V303 E304	V296-K300 WeakPolarHBondContact O-CG 3.43Å; V296-K300 PolarHBondContact O-N 3.07Å; S297-K300 PolarHBondContact O-N 3.31Å; K300-A302 PolarHBondContact O-N 3.18Å; K300-V303 PolarHBondContact O-N 3.05Å; K300-E304 WeakPolarHBondContact O-CG 3.29Å; K300-E304 PolarHBondContact O-N 3.16Å
301	Y	91.6	Very high	91.3	Very high	29 Å²	29	53.2 Å²	53.2	11%	0.114	26%	0.263	C	S	.	.	H	α-helix	trans	-58.9	-43.2	175.5	170	-101.6	0	0	0	112.9	M260 H263 Q264 S297 L298 Y299 V303 E304 T305 L310	M260-Y301 HydrophobicContact CE-CD1 4.19Å; M260-Y301 HydrophobicContact CE-CE1 4.13Å; M260-Y301 HydrophobicContact SD-CD1 4.04Å; M260-Y301 HydrophobicContact SD-CD2 4.4Å; M260-Y301 HydrophobicContact SD-CE1 3.52Å; M260-Y301 VanDerWaalsContact SD-CE1 3.52Å; M260-Y301 HydrophobicContact SD-CE2 3.94Å; M260-Y301 HydrophobicContact SD-CG 4.43Å; H263-Y301 AromaticContact CE1-CE1 3.83Å; H263-Y301 AromaticContact ND1-CE1 3.67Å; H263-Y301 AromaticContact ND1-CZ 3.67Å; H263-Y301 PolarHBondContact ND1-OH 3.34Å; Q264-Y301 HydrophobicContact CG-CE2 4.11Å; Q264-Y301 WeakPolarHBondContact CG-OH 3.1Å; S297-Y301 PolarHBondContact O-N 2.95Å; L298-Y301 PolarHBondContact O-N 3.05Å; Y299-Y301 VanDerWaalsContact C-N 3.35Å; Y299-Y301 PolarHBondContact O-N 2.7Å; Y301-V303 VanDerWaalsContact C-N 3.33Å; Y301-V303 PolarHBondContact O-N 3.01Å; Y301-E304 PolarHBondContact O-N 2.92Å; Y301-T305 HydrophobicContact CD2-CG2 4.01Å; Y301-T305 HydrophobicContact CE1-CG2 4.24Å; Y301-T305 HydrophobicContact CE2-CG2 3.47Å; Y301-T305 VanDerWaalsContact CE2-CG2 3.47Å; Y301-T305 PolarHBondContact O-N 3.29Å; Y301-T305 PolarHBondContact O-OG1 3.33Å; Y301-L310 HydrophobicContact CD1-CD2 4.21Å; Y301-L310 HydrophobicContact CE1-CD2 4.27Å
302	A	92.9	Very high	91.6	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.5	-36.2	178.4	0	0	0	0	0	112.1	L298 Y299 K300 T305 K306 D307 L310 R311	L298-A302 VanDerWaalsContact O-CB 3.31Å; L298-A302 WeakPolarHBondContact O-CB 3.49Å; L298-A302 PolarHBondContact O-N 3.02Å; Y299-A302 PolarHBondContact O-N 3.17Å; K300-A302 PolarHBondContact O-N 3.18Å; A302-T305 WeakPolarHBondContact CA-OG1 3.3Å; A302-T305 PolarHBondContact O-OG1 3.41Å; A302-K306 CarbonylContact O-C 3.56Å; A302-K306 WeakPolarHBondContact O-CA 3.34Å; A302-K306 PolarHBondContact O-N 3.05Å; A302-D307 PolarHBondContact O-N 3.42Å; A302-L310 HydrophobicContact CB-CB 4.12Å; A302-L310 HydrophobicContact CB-CD2 4.11Å; A302-L310 HydrophobicContact CB-CG 3.95Å; A302-R311 HydrophobicContact CB-CB 3.82Å
303	V	92.8	Very high	91.6	Very high	71 Å²	71	55.7 Å²	55.7	43%	0.43	28%	0.275	S	S	.	.	H	α-helix	trans	-65	-45.1	173.2	171.8	0	0	0	0	111.1	Y299 K300 Y301 K306 R311	Y299-V303 HydrophobicContact CD1-CG2 4.49Å; Y299-V303 HydrophobicContact CD2-CG2 4.4Å; Y299-V303 HydrophobicContact CE1-CG2 4.03Å; Y299-V303 HydrophobicContact CE2-CG2 3.94Å; Y299-V303 WeakPolarHBondContact O-CG2 3.43Å; Y299-V303 PolarHBondContact O-N 2.98Å; K300-V303 PolarHBondContact O-N 3.05Å; Y301-V303 VanDerWaalsContact C-N 3.33Å; Y301-V303 PolarHBondContact O-N 3.01Å; V303-K306 PolarHBondContact O-N 3.43Å; V303-R311 HydrophobicContact CG2-CG 4.1Å
304	E	90.4	Very high	91.8	Very high	153 Å²	153	50.1 Å²	50.1	72%	0.715	25%	0.253	S	S	*	.	H	α-helix	trans	-63.2	-43.3	178.6	-72.4	171	-173.3	0	0	112.4	K300 Y301 K306	K300-E304 WeakPolarHBondContact O-CG 3.29Å; K300-E304 PolarHBondContact O-N 3.16Å; Y301-E304 PolarHBondContact O-N 2.92Å; E304-K306 VanDerWaalsContact C-N 3.27Å; E304-K306 PolarHBondContact O-N 2.78Å
305	T	88.8	Confident	92.1	Very high	33 Å²	33	48.6 Å²	48.6	20%	0.202	24%	0.242	C	C	.	.	H	α-helix	trans	-81.6	-4.6	178.5	54.5	0	0	0	0	113.8	Y301 A302 D307	Y301-T305 HydrophobicContact CD2-CG2 4.01Å; Y301-T305 HydrophobicContact CE1-CG2 4.24Å; Y301-T305 HydrophobicContact CE2-CG2 3.47Å; Y301-T305 VanDerWaalsContact CE2-CG2 3.47Å; Y301-T305 PolarHBondContact O-N 3.29Å; Y301-T305 PolarHBondContact O-OG1 3.33Å; A302-T305 WeakPolarHBondContact CA-OG1 3.3Å; A302-T305 PolarHBondContact O-OG1 3.41Å; T305-D307 PolarHBondContact O-N 2.91Å
306	K	90.6	Very high	92.2	Very high	174 Å²	174	51.7 Å²	51.7	76%	0.757	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	28.3	-176.5	-53.1	176.9	-178	175.1	0	113.5	A302 V303 E304 L308	A302-K306 CarbonylContact O-C 3.56Å; A302-K306 WeakPolarHBondContact O-CA 3.34Å; A302-K306 PolarHBondContact O-N 3.05Å; V303-K306 PolarHBondContact O-N 3.43Å; E304-K306 VanDerWaalsContact C-N 3.27Å; E304-K306 PolarHBondContact O-N 2.78Å; K306-L308 PolarHBondContact O-N 3.46Å
307	D	91.7	Very high	92.3	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.021	26%	0.256	C	S	.	.			trans	-77.4	100.3	169.7	-170.3	-15.2	0	0	0	110.1	H263 F275 A302 T305 I309 L310 R311	H263-D307 IonicContact CE1-OD2 2.88Å; H263-D307 IonicContact NE2-OD2 3.69Å; H263-D307 PolarHBondContact NE2-OD2 3.27Å; F275-D307 HydrophobicContact CE1-CB 3.64Å; F275-D307 HydrophobicContact CZ-CB 3.53Å; A302-D307 PolarHBondContact O-N 3.42Å; T305-D307 PolarHBondContact O-N 2.91Å; D307-I309 VanDerWaalsContact C-N 3.33Å; D307-I309 WeakPolarHBondContact OD1-CA 3.27Å; D307-I309 PolarHBondContact OD1-N 2.79Å; D307-L310 HydrophobicContact CB-CB 4Å; D307-L310 VanDerWaalsContact CG-CB 3.44Å; D307-L310 PolarHBondContact OD1-N 3.29Å; D307-L310 WeakPolarHBondContact OD2-CB 3.42Å; D307-R311 WeakPolarHBondContact O-CB 3.1Å; D307-R311 PolarHBondContact O-N 3.23Å
308	L	90.6	Very high	92.5	Very high	100 Å²	100	48.4 Å²	48.4	52%	0.524	23%	0.233	S	C	.	.	H	α-helix	trans	-66.8	-35.3	177.8	-57.3	178.7	0	0	0	112.1	K306 D312	K306-L308 PolarHBondContact O-N 3.46Å; L308-D312 VanDerWaalsContact O-CB 3.23Å; L308-D312 WeakPolarHBondContact O-CB 3.31Å; L308-D312 PolarHBondContact O-N 2.96Å
309	I	89.6	Confident	92.6	Very high	63 Å²	63	47.5 Å²	47.5	32%	0.323	23%	0.229	S	C	.	.	H	α-helix	trans	-71.9	-48.4	-175.9	-59.2	-179.9	0	0	0	109.8	E276 Q280 D307 D312 S313	E276-I309 HydrophobicContact CB-CD1 4.09Å; E276-I309 HydrophobicContact CG-CD1 3.85Å; Q280-I309 HydrophobicContact CG-CG2 4.35Å; D307-I309 VanDerWaalsContact C-N 3.33Å; D307-I309 WeakPolarHBondContact OD1-CA 3.27Å; D307-I309 PolarHBondContact OD1-N 2.79Å; I309-D312 PolarHBondContact O-N 3.43Å; I309-S313 WeakPolarHBondContact O-CB 3.43Å; I309-S313 PolarHBondContact O-N 2.92Å; I309-S313 PolarHBondContact O-OG 3Å
310	L	91	Very high	92.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.1	-41.7	177.1	179.3	60.1	0	0	0	111.1	I282 Y301 A302 D307 S313 C314	I282-L310 HydrophobicContact CB-CD1 4.22Å; I282-L310 HydrophobicContact CG2-CD1 3.93Å; I282-L310 HydrophobicContact CG2-CD2 4.3Å; Y301-L310 HydrophobicContact CD1-CD2 4.21Å; Y301-L310 HydrophobicContact CE1-CD2 4.27Å; A302-L310 HydrophobicContact CB-CB 4.12Å; A302-L310 HydrophobicContact CB-CD2 4.11Å; A302-L310 HydrophobicContact CB-CG 3.95Å; D307-L310 HydrophobicContact CB-CB 4Å; D307-L310 VanDerWaalsContact CG-CB 3.44Å; D307-L310 PolarHBondContact OD1-N 3.29Å; D307-L310 WeakPolarHBondContact OD2-CB 3.42Å; L310-S313 PolarHBondContact O-N 3.43Å; L310-C314 PolarHBondContact O-N 3.26Å; L310-C314 PolarHBondContact O-SG 3.46Å
311	R	93.9	Very high	92.7	Very high	81 Å²	81	42.8 Å²	42.8	31%	0.306	21%	0.208	S	C	.	.	H	α-helix	trans	-57.2	-52.3	175.4	-177.5	-162.4	69.7	-171	-1.6	110.6	Y299 A302 V303 D307 S313 C314 V315	Y299-R311 HydrophobicContact CD2-CG 3.76Å; Y299-R311 HydrophobicContact CE2-CG 3.59Å; A302-R311 HydrophobicContact CB-CB 3.82Å; V303-R311 HydrophobicContact CG2-CG 4.1Å; D307-R311 WeakPolarHBondContact O-CB 3.1Å; D307-R311 PolarHBondContact O-N 3.23Å; R311-S313 VanDerWaalsContact C-N 3.29Å; R311-S313 PolarHBondContact O-N 2.84Å; R311-C314 WeakPolarHBondContact O-CB 3.49Å; R311-C314 PolarHBondContact O-N 3.05Å; R311-V315 WeakPolarHBondContact O-CG2 3.4Å; R311-V315 PolarHBondContact O-N 3.29Å
312	D	92.7	Very high	92.9	Very high	70 Å²	70	41.4 Å²	41.4	37%	0.374	20%	0.203	S	C	.	.	H	α-helix	trans	-66.2	-34.4	-177	-69	-4	0	0	0	111.2	L308 I309 V315 Q316	L308-D312 VanDerWaalsContact O-CB 3.23Å; L308-D312 WeakPolarHBondContact O-CB 3.31Å; L308-D312 PolarHBondContact O-N 2.96Å; I309-D312 PolarHBondContact O-N 3.43Å; D312-V315 PolarHBondContact O-N 3.46Å; D312-Q316 WeakPolarHBondContact O-CB 3.48Å; D312-Q316 PolarHBondContact O-N 2.97Å
313	S	92	Very high	93	Very high	23 Å²	23	46.1 Å²	46.1	16%	0.161	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-42.4	173.2	-60	0	0	0	0	112.2	I309 L310 R311 Y317	I309-S313 WeakPolarHBondContact O-CB 3.43Å; I309-S313 PolarHBondContact O-N 2.92Å; I309-S313 PolarHBondContact O-OG 3Å; L310-S313 PolarHBondContact O-N 3.43Å; R311-S313 VanDerWaalsContact C-N 3.29Å; R311-S313 PolarHBondContact O-N 2.84Å; S313-Y317 WeakPolarHBondContact O-CB 3.3Å; S313-Y317 PolarHBondContact O-N 3.22Å
314	C	93.8	Very high	93	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.3	-47.7	176.1	-65.1	0	0	0	0	111.4	L310 R311 Q316 Y317 M318	L310-C314 PolarHBondContact O-N 3.26Å; L310-C314 PolarHBondContact O-SG 3.46Å; R311-C314 WeakPolarHBondContact O-CB 3.49Å; R311-C314 PolarHBondContact O-N 3.05Å; C314-Q316 PolarHBondContact O-N 3.38Å; C314-Y317 PolarHBondContact O-N 3.25Å; C314-M318 HydrophobicContact CB-CE 4.19Å; C314-M318 VanDerWaalsContact O-CE 3.3Å; C314-M318 WeakPolarHBondContact O-CE 3.42Å; C314-M318 WeakPolarHBondContact O-CG 3.31Å; C314-M318 PolarHBondContact O-N 3.48Å
315	V	96.1	Very high	93.2	Very high	7 Å²	7	38.1 Å²	38.1	4%	0.042	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-44	178.4	179.7	0	0	0	0	110.5	Y299 R311 D312 M318 A319 L338 L342	Y299-V315 HydrophobicContact CD2-CG2 3.71Å; Y299-V315 HydrophobicContact CE2-CG2 3.64Å; R311-V315 WeakPolarHBondContact O-CG2 3.4Å; R311-V315 PolarHBondContact O-N 3.29Å; D312-V315 PolarHBondContact O-N 3.46Å; V315-M318 PolarHBondContact O-N 2.65Å; V315-A319 VanDerWaalsContact O-CB 3.25Å; V315-A319 WeakPolarHBondContact O-CB 3.48Å; V315-A319 PolarHBondContact O-N 2.99Å; V315-L338 HydrophobicContact CG2-CD1 3.81Å; V315-L342 HydrophobicContact CG1-CD2 3.85Å; V315-L342 HydrophobicContact CG1-CG 4.4Å; V315-L342 WeakPolarHBondContact O-CD2 3.32Å
316	Q	93.9	Very high	93.5	Very high	66 Å²	66	37.7 Å²	37.7	31%	0.308	19%	0.187	S	C	.	.	H	α-helix	trans	-61.4	-47.4	178	178.1	172.3	-26	0	0	111.9	D312 C314 M318 A319 W320	D312-Q316 WeakPolarHBondContact O-CB 3.48Å; D312-Q316 PolarHBondContact O-N 2.97Å; C314-Q316 PolarHBondContact O-N 3.38Å; Q316-M318 VanDerWaalsContact C-N 3.33Å; Q316-M318 PolarHBondContact O-N 3.25Å; Q316-A319 PolarHBondContact O-N 3.32Å; Q316-W320 HydrophobicContact CG-CD2 4.15Å; Q316-W320 HydrophobicContact CG-CZ2 3.93Å; Q316-W320 VanDerWaalsContact NE2-CH2 3.28Å; Q316-W320 VanDerWaalsContact O-CG 3.31Å; Q316-W320 PolarHBondContact O-N 3.1Å
317	Y	93.6	Very high	93.6	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-59.3	-44.7	177.5	177.3	-95.5	0	0	0	111.9	L286 P287 F292 Q295 S313 C314 W320 N321 Y580	L286-Y317 HydrophobicContact CB-CD1 4.09Å; L286-Y317 HydrophobicContact CB-CD2 4.25Å; L286-Y317 HydrophobicContact CB-CE1 4.42Å; L286-Y317 HydrophobicContact CB-CG 4.01Å; L286-Y317 HydrophobicContact CD1-CG 4.33Å; P287-Y317 WeakPolarHBondContact CA-OH 3.48Å; P287-Y317 HydrophobicContact CB-CE2 4.38Å; P287-Y317 HydrophobicContact CG-CE2 4.04Å; F292-Y317 HydrophobicContact CE1-CE1 4.09Å; Q295-Y317 HydrophobicContact CG-CD1 3.92Å; Q295-Y317 HydrophobicContact CG-CE1 3.96Å; S313-Y317 WeakPolarHBondContact O-CB 3.3Å; S313-Y317 PolarHBondContact O-N 3.22Å; C314-Y317 PolarHBondContact O-N 3.25Å; Y317-W320 PolarHBondContact O-N 3.31Å; Y317-N321 PolarHBondContact O-N 2.96Å; Y317-N321 PolarHBondContact O-ND2 3.35Å; Y317-Y580 HydrophobicContact CD2-CD2 4.1Å; Y317-Y580 AromaticContact CD2-CE2 3.71Å; Y317-Y580 HydrophobicContact CD2-CE2 3.71Å; Y317-Y580 AromaticContact CD2-CZ 3.96Å; Y317-Y580 HydrophobicContact CE2-CD2 4.48Å; Y317-Y580 HydrophobicContact CE2-CE2 4.5Å
318	M	95.4	Very high	93.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.4	-37.6	175.6	-76.7	-174.2	-76.8	0	0	112.4	F292 Q295 V296 C314 V315 Q316 N321 F322 L325 L338 L342	F292-M318 HydrophobicContact CD1-CG 4.08Å; F292-M318 HydrophobicContact CE1-CG 4.41Å; Q295-M318 HydrophobicContact CB-CG 4.25Å; Q295-M318 HydrophobicContact CB-SD 4.25Å; V296-M318 HydrophobicContact CG2-SD 3.84Å; C314-M318 HydrophobicContact CB-CE 4.19Å; C314-M318 VanDerWaalsContact O-CE 3.3Å; C314-M318 WeakPolarHBondContact O-CE 3.42Å; C314-M318 WeakPolarHBondContact O-CG 3.31Å; C314-M318 PolarHBondContact O-N 3.48Å; V315-M318 PolarHBondContact O-N 2.65Å; Q316-M318 VanDerWaalsContact C-N 3.33Å; Q316-M318 PolarHBondContact O-N 3.25Å; M318-N321 CarbonylContact O-C 3.59Å; M318-N321 VanDerWaalsContact O-C 3.29Å; M318-N321 PolarHBondContact O-N 3.15Å; M318-F322 WeakPolarHBondContact O-CA 3.41Å; M318-F322 PolarHBondContact O-N 2.66Å; M318-L325 HydrophobicContact CB-CD2 4.19Å; M318-L338 HydrophobicContact CE-CD1 3.75Å; M318-L338 HydrophobicContact CE-CD2 3.81Å; M318-L338 HydrophobicContact CE-CG 4.38Å; M318-L338 HydrophobicContact SD-CD2 4.05Å; M318-L342 HydrophobicContact CB-CD2 3.85Å
319	A	96.6	Very high	93.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.5	-37.6	177.5	0	0	0	0	0	112.4	V315 Q316 N321 L342 L348 V349	V315-A319 VanDerWaalsContact O-CB 3.25Å; V315-A319 WeakPolarHBondContact O-CB 3.48Å; V315-A319 PolarHBondContact O-N 2.99Å; Q316-A319 PolarHBondContact O-N 3.32Å; A319-N321 PolarHBondContact O-N 3.27Å; A319-L342 HydrophobicContact CB-CD2 3.88Å; A319-L348 HydrophobicContact CB-CD1 3.8Å; A319-V349 PolarHBondContact O-N 3.34Å
320	W	94.7	Very high	94	Very high	14 Å²	14	29.7 Å²	29.7	5%	0.053	18%	0.175	C	C	.	.	H	α-helix	trans	-69.3	-24.3	174.8	-68.4	2.8	0	0	0	112.4	Q316 Y317 D347 V349 I561 I564	Q316-W320 HydrophobicContact CG-CD2 4.15Å; Q316-W320 HydrophobicContact CG-CZ2 3.93Å; Q316-W320 VanDerWaalsContact NE2-CH2 3.28Å; Q316-W320 VanDerWaalsContact O-CG 3.31Å; Q316-W320 PolarHBondContact O-N 3.1Å; Y317-W320 PolarHBondContact O-N 3.31Å; W320-D347 PolarHBondContact NE1-OD2 3.09Å; W320-V349 HydrophobicContact CB-CG2 4.44Å; W320-V349 WeakPolarHBondContact O-CB 3.35Å; W320-I561 HydrophobicContact CB-CB 4.36Å; W320-I561 HydrophobicContact CB-CG2 4.19Å; W320-I561 HydrophobicContact CE3-CG2 4.29Å; W320-I561 WeakPolarHBondContact O-CD1 3.35Å; W320-I564 HydrophobicContact CB-CD1 4.38Å; W320-I564 HydrophobicContact CD2-CD1 3.71Å; W320-I564 HydrophobicContact CD2-CG1 3.79Å; W320-I564 HydrophobicContact CE3-CD1 4.49Å; W320-I564 HydrophobicContact CE3-CG1 4.11Å; W320-I564 HydrophobicContact CG-CD1 3.64Å; W320-I564 HydrophobicContact CG-CG1 4.22Å; W320-I564 HydrophobicContact CH2-CB 4.29Å; W320-I564 HydrophobicContact CH2-CG1 4.26Å; W320-I564 HydrophobicContact CZ2-CB 3.97Å; W320-I564 HydrophobicContact CZ2-CD1 4.22Å; W320-I564 HydrophobicContact CZ2-CG1 3.94Å; W320-I564 HydrophobicContact CZ3-CG1 4.35Å
321	N	94.4	Very high	94.2	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.032	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	28.6	-178.3	-65.7	-76.1	0	0	0	112.2	F292 Y317 M318 A319 Q323 S324 L325 Y560 I561	F292-N321 HydrophobicContact CE1-CB 4.1Å; F292-N321 HydrophobicContact CZ-CB 3.87Å; Y317-N321 PolarHBondContact O-N 2.96Å; Y317-N321 PolarHBondContact O-ND2 3.35Å; M318-N321 CarbonylContact O-C 3.59Å; M318-N321 VanDerWaalsContact O-C 3.29Å; M318-N321 PolarHBondContact O-N 3.15Å; A319-N321 PolarHBondContact O-N 3.27Å; N321-Q323 VanDerWaalsContact C-N 3.32Å; N321-Q323 PolarHBondContact O-N 2.94Å; N321-S324 WeakPolarHBondContact O-CB 3.4Å; N321-S324 PolarHBondContact O-N 3.24Å; N321-L325 PolarHBondContact O-N 2.95Å; N321-Y560 WeakPolarHBondContact OD1-CA 3.39Å; N321-Y560 VanDerWaalsContact OD1-CB 3.27Å; N321-Y560 WeakPolarHBondContact OD1-CB 3.36Å; N321-I561 PolarHBondContact ND2-O 3.38Å; N321-I561 PolarHBondContact OD1-N 3.25Å
322	F	96	Very high	94.1	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-61.2	-39.1	-169	-172.9	-100	0	0	0	112.9	M318 S324 L325 T326 W331 L342 L343 L348 V350 F355 V359	M318-F322 WeakPolarHBondContact O-CA 3.41Å; M318-F322 PolarHBondContact O-N 2.66Å; F322-S324 VanDerWaalsContact C-N 3.33Å; F322-S324 PolarHBondContact O-N 2.78Å; F322-L325 HydrophobicContact CD2-CD2 4.19Å; F322-L325 WeakPolarHBondContact O-CB 3.45Å; F322-L325 PolarHBondContact O-N 2.74Å; F322-L325 VanDerWaalsContact O-N 3.16Å; F322-T326 HydrophobicContact CD1-CG2 3.89Å; F322-T326 HydrophobicContact CE1-CG2 3.6Å; F322-T326 HydrophobicContact CE2-CG2 4.49Å; F322-T326 HydrophobicContact CG-CG2 4.48Å; F322-T326 HydrophobicContact CZ-CG2 3.94Å; F322-T326 VanDerWaalsContact O-CG2 3.31Å; F322-T326 WeakPolarHBondContact O-CG2 3.5Å; F322-T326 PolarHBondContact O-N 3.32Å; F322-W331 HydrophobicContact CE2-CH2 4.08Å; F322-W331 AromaticContact CE2-CZ3 3.88Å; F322-W331 HydrophobicContact CE2-CZ3 3.88Å; F322-W331 AromaticContact CZ-CH2 3.69Å; F322-W331 HydrophobicContact CZ-CH2 3.69Å; F322-W331 AromaticContact CZ-CZ3 3.95Å; F322-W331 HydrophobicContact CZ-CZ3 3.95Å; F322-L342 HydrophobicContact CD2-CD1 4.36Å; F322-L342 HydrophobicContact CE2-CB 4.34Å; F322-L342 HydrophobicContact CE2-CD1 4.22Å; F322-L343 HydrophobicContact CZ-CD2 4.24Å; F322-L348 HydrophobicContact CB-CD1 3.79Å; F322-L348 HydrophobicContact CB-CG 4.42Å; F322-L348 HydrophobicContact CD1-CD1 4.47Å; F322-L348 HydrophobicContact CD2-CD1 3.73Å; F322-L348 HydrophobicContact CE2-CD1 4.39Å; F322-L348 HydrophobicContact CG-CD1 3.75Å; F322-L348 HydrophobicContact CG-CG 4.37Å; F322-V350 HydrophobicContact CB-CG1 4.27Å; F322-V350 HydrophobicContact CD1-CG1 3.56Å; F322-V350 HydrophobicContact CE1-CG1 4.29Å; F322-V350 HydrophobicContact CG-CG1 4.26Å; F322-F355 HydrophobicContact CD1-CE1 4.3Å; F322-F355 HydrophobicContact CE1-CE1 4.46Å; F322-V359 HydrophobicContact CE1-CG2 4.01Å; F322-V359 HydrophobicContact CZ-CG2 4.42Å
323	Q	93.7	Very high	94	Very high	99 Å²	99	31.2 Å²	31.2	46%	0.463	19%	0.194	S	C	.	.	H	α-helix	trans	-58.4	-45.5	175.1	-175.5	177.2	-9.5	0	0	111.7	N321 T326 G327 F355	N321-Q323 VanDerWaalsContact C-N 3.32Å; N321-Q323 PolarHBondContact O-N 2.94Å; Q323-T326 PolarHBondContact O-N 3.09Å; Q323-T326 PolarHBondContact O-OG1 3.19Å; Q323-G327 PolarHBondContact O-N 3.37Å; Q323-F355 HydrophobicContact CB-CZ 4.42Å; Q323-F355 HydrophobicContact CG-CZ 4.07Å
324	S	93.2	Very high	94.1	Very high	56 Å²	56	30.3 Å²	30.3	39%	0.392	19%	0.187	S	C	.	.	H	α-helix	trans	-66.3	-37.2	175.7	-56.3	0	0	0	0	112	N321 F322 G327 S328	N321-S324 WeakPolarHBondContact O-CB 3.4Å; N321-S324 PolarHBondContact O-N 3.24Å; F322-S324 VanDerWaalsContact C-N 3.33Å; F322-S324 PolarHBondContact O-N 2.78Å; S324-G327 PolarHBondContact O-N 2.81Å; S324-S328 PolarHBondContact O-N 3.26Å
325	L	95.3	Very high	94.1	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-44.5	175.5	175.7	67.1	0	0	0	111.8	F292 M318 N321 F322 G327 S328 W331 L334 L342	F292-L325 HydrophobicContact CB-CD1 3.67Å; F292-L325 HydrophobicContact CD1-CB 4.31Å; F292-L325 HydrophobicContact CD1-CD1 3.73Å; F292-L325 HydrophobicContact CD2-CD1 4.22Å; F292-L325 HydrophobicContact CE1-CB 4.16Å; F292-L325 HydrophobicContact CE1-CD1 4.41Å; F292-L325 HydrophobicContact CE2-CB 4.37Å; F292-L325 HydrophobicContact CG-CB 4.48Å; F292-L325 HydrophobicContact CG-CD1 3.61Å; F292-L325 HydrophobicContact CZ-CB 4.18Å; M318-L325 HydrophobicContact CB-CD2 4.19Å; N321-L325 PolarHBondContact O-N 2.95Å; F322-L325 HydrophobicContact CD2-CD2 4.19Å; F322-L325 WeakPolarHBondContact O-CB 3.45Å; F322-L325 PolarHBondContact O-N 2.74Å; F322-L325 VanDerWaalsContact O-N 3.16Å; L325-G327 PolarHBondContact O-N 3.44Å; L325-S328 WeakPolarHBondContact O-CB 3.21Å; L325-S328 PolarHBondContact O-N 3.4Å; L325-S328 PolarHBondContact O-OG 3.45Å; L325-W331 HydrophobicContact CG-CE3 4.27Å; L325-L334 HydrophobicContact CD1-CD1 4.08Å; L325-L334 HydrophobicContact CD2-CD1 4.15Å; L325-L334 HydrophobicContact CG-CD1 4.44Å; L325-L342 HydrophobicContact CD2-CD1 3.83Å
326	T	95.3	Very high	93.9	Very high	24 Å²	24	33.7 Å²	33.7	15%	0.147	21%	0.207	C	C	.	.	H	α-helix	trans	-65.4	-25.9	-179.8	61.5	0	0	0	0	113.4	F322 Q323 W331 F355 V359	F322-T326 HydrophobicContact CD1-CG2 3.89Å; F322-T326 HydrophobicContact CE1-CG2 3.6Å; F322-T326 HydrophobicContact CE2-CG2 4.49Å; F322-T326 HydrophobicContact CG-CG2 4.48Å; F322-T326 HydrophobicContact CZ-CG2 3.94Å; F322-T326 VanDerWaalsContact O-CG2 3.31Å; F322-T326 WeakPolarHBondContact O-CG2 3.5Å; F322-T326 PolarHBondContact O-N 3.32Å; Q323-T326 PolarHBondContact O-N 3.09Å; Q323-T326 PolarHBondContact O-OG1 3.19Å; T326-W331 HydrophobicContact CG2-CD2 4.18Å; T326-W331 HydrophobicContact CG2-CE3 3.99Å; T326-W331 HydrophobicContact CG2-CH2 3.84Å; T326-W331 HydrophobicContact CG2-CZ2 4.02Å; T326-W331 HydrophobicContact CG2-CZ3 3.82Å; T326-F355 HydrophobicContact CG2-CE1 4.49Å; T326-F355 HydrophobicContact CG2-CZ 4.46Å; T326-F355 WeakPolarHBondContact OG1-CZ 3.46Å; T326-V359 HydrophobicContact CG2-CB 4.06Å; T326-V359 HydrophobicContact CG2-CG1 4.14Å; T326-V359 HydrophobicContact CG2-CG2 3.91Å
327	G	92.8	Very high	93.9	Very high	69 Å²	69	36.5 Å²	36.5	71%	0.711	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-1.5	173	0	0	0	0	0	114.3	Q323 S324 L325	Q323-G327 PolarHBondContact O-N 3.37Å; S324-G327 PolarHBondContact O-N 2.81Å; L325-G327 PolarHBondContact O-N 3.44Å
328	S	93.5	Very high	94.1	Very high	15 Å²	15	36.3 Å²	36.3	11%	0.105	22%	0.219	C	C	.	.	S	Bend	trans	-85.1	156.9	-176.9	81.5	0	0	0	0	112	S324 L325 V330 W331	S324-S328 PolarHBondContact O-N 3.26Å; L325-S328 WeakPolarHBondContact O-CB 3.21Å; L325-S328 PolarHBondContact O-N 3.4Å; L325-S328 PolarHBondContact O-OG 3.45Å; S328-V330 PolarHBondContact O-N 3.04Å; S328-V330 PolarHBondContact OG-N 3Å; S328-W331 WeakPolarHBondContact O-CB 3.44Å; S328-W331 PolarHBondContact O-N 2.83Å
329	P	92	Very high	94.1	Very high	82 Å²	82	36.3 Å²	36.3	53%	0.532	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.3	176.7	26.3	-35.1	0	0	0	113.4	Y293 W331	Y293-P329 HydrophobicContact CE2-CG 3.91Å; P329-W331 VanDerWaalsContact C-N 3.29Å; P329-W331 PolarHBondContact O-N 3.16Å
330	V	94.3	Very high	94.1	Very high	6 Å²	6	39.9 Å²	39.9	4%	0.036	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-16.6	-177.6	-175.5	0	0	0	0	112.3	S291 Y293 V296 S328 A332 D333 L334	S291-V330 VanDerWaalsContact O-CG2 3.27Å; S291-V330 WeakPolarHBondContact O-CG2 3.48Å; Y293-V330 HydrophobicContact CD1-CG2 3.48Å; Y293-V330 VanDerWaalsContact CD1-CG2 3.48Å; Y293-V330 HydrophobicContact CD2-CG2 3.66Å; Y293-V330 HydrophobicContact CE1-CG2 3.53Å; Y293-V330 HydrophobicContact CE2-CG2 3.69Å; Y293-V330 HydrophobicContact CG-CG2 3.53Å; V296-V330 HydrophobicContact CB-CG1 4.23Å; V296-V330 HydrophobicContact CG1-CG1 4.45Å; V296-V330 HydrophobicContact CG2-CG1 3.75Å; S328-V330 PolarHBondContact O-N 3.04Å; S328-V330 PolarHBondContact OG-N 3Å; V330-A332 VanDerWaalsContact C-N 3.31Å; V330-A332 PolarHBondContact O-N 3.09Å; V330-D333 PolarHBondContact O-N 3.25Å; V330-D333 VanDerWaalsContact O-N 3.1Å; V330-L334 PolarHBondContact O-N 3.26Å
331	W	94.9	Very high	94.1	Very high	23 Å²	23	41.3 Å²	41.3	9%	0.087	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-54.6	-44.2	-174.7	177.1	-115.2	0	0	0	113.1	F322 L325 T326 S328 P329 D333 L334 L339 V359 W363	F322-W331 HydrophobicContact CE2-CH2 4.08Å; F322-W331 AromaticContact CE2-CZ3 3.88Å; F322-W331 HydrophobicContact CE2-CZ3 3.88Å; F322-W331 AromaticContact CZ-CH2 3.69Å; F322-W331 HydrophobicContact CZ-CH2 3.69Å; F322-W331 AromaticContact CZ-CZ3 3.95Å; F322-W331 HydrophobicContact CZ-CZ3 3.95Å; L325-W331 HydrophobicContact CG-CE3 4.27Å; T326-W331 HydrophobicContact CG2-CD2 4.18Å; T326-W331 HydrophobicContact CG2-CE3 3.99Å; T326-W331 HydrophobicContact CG2-CH2 3.84Å; T326-W331 HydrophobicContact CG2-CZ2 4.02Å; T326-W331 HydrophobicContact CG2-CZ3 3.82Å; S328-W331 WeakPolarHBondContact O-CB 3.44Å; S328-W331 PolarHBondContact O-N 2.83Å; P329-W331 VanDerWaalsContact C-N 3.29Å; P329-W331 PolarHBondContact O-N 3.16Å; W331-D333 VanDerWaalsContact C-N 3.26Å; W331-D333 PolarHBondContact O-N 3.03Å; W331-L334 WeakPolarHBondContact O-CB 3.4Å; W331-L334 PolarHBondContact O-N 2.87Å; W331-L339 HydrophobicContact CH2-CD1 3.67Å; W331-L339 HydrophobicContact CZ3-CD1 4.02Å; W331-V359 HydrophobicContact CH2-CG2 4.48Å; W331-V359 HydrophobicContact CZ2-CB 4.12Å; W331-V359 HydrophobicContact CZ2-CG2 4.17Å; W331-W363 AromaticContact CE2-CD1 3.66Å; W331-W363 HydrophobicContact CZ2-CB 3.87Å; W331-W363 HydrophobicContact CZ2-CG 4.12Å; W331-W363 AromaticContact NE1-CD1 3.67Å; W331-W363 PolarHBondContact O-NE1 2.98Å
332	A	91.8	Very high	94.2	Very high	41 Å²	41	41 Å²	41	34%	0.339	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-62.6	-34.4	-178.1	0	0	0	0	0	112.7	V330 W363 N367	V330-A332 VanDerWaalsContact C-N 3.31Å; V330-A332 PolarHBondContact O-N 3.09Å; A332-W363 PolarHBondContact O-NE1 3.43Å; A332-N367 PolarHBondContact O-ND2 2.95Å
333	D	90.7	Very high	94.2	Very high	119 Å²	119	41.1 Å²	41.1	64%	0.636	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-99.9	13.4	-173.8	-59.5	-39.5	0	0	0	113.1	V330 W331	V330-D333 PolarHBondContact O-N 3.25Å; V330-D333 VanDerWaalsContact O-N 3.1Å; W331-D333 VanDerWaalsContact C-N 3.26Å; W331-D333 PolarHBondContact O-N 3.03Å
334	L	93.9	Very high	94.2	Very high	4 Å²	4	40 Å²	40	2%	0.021	25%	0.247	C	C	.	.			trans	-64.1	130.9	-177.3	-155.2	106.2	0	0	0	110.7	V296 L325 V330 W331 L336 L338 L339 L342 W363	V296-L334 HydrophobicContact CG2-CD1 4.27Å; L325-L334 HydrophobicContact CD1-CD1 4.08Å; L325-L334 HydrophobicContact CD2-CD1 4.15Å; L325-L334 HydrophobicContact CG-CD1 4.44Å; V330-L334 PolarHBondContact O-N 3.26Å; W331-L334 WeakPolarHBondContact O-CB 3.4Å; W331-L334 PolarHBondContact O-N 2.87Å; L334-L336 PolarHBondContact O-N 2.93Å; L334-L338 HydrophobicContact CD1-CD2 4.07Å; L334-L338 HydrophobicContact CD2-CB 4.25Å; L334-L338 HydrophobicContact CD2-CD2 4.22Å; L334-L338 HydrophobicContact CD2-CG 3.99Å; L334-L338 HydrophobicContact CG-CD2 3.99Å; L334-L338 HydrophobicContact CG-CG 4.31Å; L334-L339 HydrophobicContact CD2-CB 3.76Å; L334-L339 HydrophobicContact CD2-CD1 4.16Å; L334-L342 HydrophobicContact CD2-CD1 4.05Å; L334-W363 WeakPolarHBondContact O-CZ2 3.31Å
335	P	93.4	Very high	94.2	Very high	37 Å²	37	39.9 Å²	39.9	24%	0.24	24%	0.238	C	C	.	.			trans	-60.1	139.4	176.9	-24.8	34	0	0	0	112.5	E337 L338 L339	P335-E337 VanDerWaalsContact C-N 3.32Å; P335-E337 PolarHBondContact O-N 2.04Å; P335-L338 HydrophobicContact CB-CB 4.18Å; P335-L338 WeakPolarHBondContact O-CB 3.45Å; P335-L338 PolarHBondContact O-N 3.14Å; P335-L339 PolarHBondContact O-N 2.72Å
336	L	93.6	Very high	93.9	Very high	41 Å²	41	42.6 Å²	42.6	22%	0.215	26%	0.256	C	S	.	.	H	α-helix	trans	-53.8	-46.2	-179.8	179.1	63.2	0	0	0	112.7	L334 L338 L339 H340 W363 L371 Q375 L379	L334-L336 PolarHBondContact O-N 2.93Å; L336-L338 VanDerWaalsContact C-N 3.28Å; L336-L338 PolarHBondContact O-N 3.35Å; L336-L339 WeakPolarHBondContact O-CB 3.41Å; L336-L339 PolarHBondContact O-N 2.9Å; L336-L339 VanDerWaalsContact O-N 3.16Å; L336-H340 PolarHBondContact O-N 2.73Å; L336-W363 HydrophobicContact CD1-CH2 4.38Å; L336-W363 HydrophobicContact CD1-CZ3 4.47Å; L336-L371 HydrophobicContact CD1-CD2 4.02Å; L336-L371 HydrophobicContact CD2-CD2 4.04Å; L336-Q375 HydrophobicContact CD2-CB 4.4Å; L336-Q375 HydrophobicContact CD2-CG 4.16Å; L336-L379 HydrophobicContact CD1-CD1 3.58Å; L336-L379 HydrophobicContact CD1-CD2 3.99Å; L336-L379 HydrophobicContact CD1-CG 3.98Å
337	E	93.8	Very high	93.8	Very high	125 Å²	125	43.2 Å²	43.2	58%	0.584	26%	0.259	S	S	*	.	H	α-helix	trans	-61.6	-36	178.6	-62.4	-56.1	143.9	0	0	112.8	P335 S341	P335-E337 VanDerWaalsContact C-N 3.32Å; P335-E337 PolarHBondContact O-N 2.04Å; E337-S341 WeakPolarHBondContact O-CB 3.46Å; E337-S341 PolarHBondContact O-N 3.25Å; E337-S341 PolarHBondContact O-OG 2.69Å
338	L	96.2	Very high	93.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69	-44	175.9	177.6	56.9	0	0	0	110.2	V296 Y299 V315 M318 L334 P335 L336 H340 S341 L342	V296-L338 HydrophobicContact CG1-CD2 4.48Å; V296-L338 HydrophobicContact CG2-CD2 4.09Å; Y299-L338 HydrophobicContact CD1-CB 4.32Å; Y299-L338 HydrophobicContact CD1-CD1 4.24Å; Y299-L338 HydrophobicContact CD1-CD2 4.04Å; Y299-L338 HydrophobicContact CD1-CG 4.43Å; Y299-L338 HydrophobicContact CD2-CD1 3.94Å; Y299-L338 HydrophobicContact CE1-CB 3.78Å; Y299-L338 HydrophobicContact CE1-CD1 4.18Å; Y299-L338 HydrophobicContact CE1-CD2 4.36Å; Y299-L338 HydrophobicContact CE1-CG 4.32Å; Y299-L338 HydrophobicContact CE2-CD1 3.85Å; Y299-L338 HydrophobicContact CG-CD1 4.13Å; Y299-L338 HydrophobicContact CG-CD2 4.37Å; V315-L338 HydrophobicContact CG2-CD1 3.81Å; M318-L338 HydrophobicContact CE-CD1 3.75Å; M318-L338 HydrophobicContact CE-CD2 3.81Å; M318-L338 HydrophobicContact CE-CG 4.38Å; M318-L338 HydrophobicContact SD-CD2 4.05Å; L334-L338 HydrophobicContact CD1-CD2 4.07Å; L334-L338 HydrophobicContact CD2-CB 4.25Å; L334-L338 HydrophobicContact CD2-CD2 4.22Å; L334-L338 HydrophobicContact CD2-CG 3.99Å; L334-L338 HydrophobicContact CG-CD2 3.99Å; L334-L338 HydrophobicContact CG-CG 4.31Å; P335-L338 HydrophobicContact CB-CB 4.18Å; P335-L338 WeakPolarHBondContact O-CB 3.45Å; P335-L338 PolarHBondContact O-N 3.14Å; L336-L338 VanDerWaalsContact C-N 3.28Å; L336-L338 PolarHBondContact O-N 3.35Å; L338-H340 PolarHBondContact O-N 3.08Å; L338-S341 WeakPolarHBondContact O-CB 3.49Å; L338-S341 PolarHBondContact O-N 3.49Å; L338-L342 HydrophobicContact CD1-CD1 4.35Å; L338-L342 HydrophobicContact CD1-CG 4.22Å; L338-L342 HydrophobicContact CG-CD1 4.18Å; L338-L342 VanDerWaalsContact O-CG 3.29Å; L338-L342 WeakPolarHBondContact O-CG 3.03Å; L338-L342 PolarHBondContact O-N 3.15Å
339	L	96.4	Very high	94	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.1	-46.4	177	-174.3	57	0	0	0	111.3	W331 L334 P335 L336 S341 L342 L343 L360 W363 L379	W331-L339 HydrophobicContact CH2-CD1 3.67Å; W331-L339 HydrophobicContact CZ3-CD1 4.02Å; L334-L339 HydrophobicContact CD2-CB 3.76Å; L334-L339 HydrophobicContact CD2-CD1 4.16Å; P335-L339 PolarHBondContact O-N 2.72Å; L336-L339 WeakPolarHBondContact O-CB 3.41Å; L336-L339 PolarHBondContact O-N 2.9Å; L336-L339 VanDerWaalsContact O-N 3.16Å; L339-S341 VanDerWaalsContact C-N 3.33Å; L339-S341 PolarHBondContact O-N 3.16Å; L339-L342 PolarHBondContact O-N 3.26Å; L339-L343 HydrophobicContact CD1-CD1 4.1Å; L339-L343 HydrophobicContact CD1-CG 4.21Å; L339-L343 HydrophobicContact CG-CD1 4.04Å; L339-L343 WeakPolarHBondContact O-CG 3.24Å; L339-L343 PolarHBondContact O-N 3.32Å; L339-L360 HydrophobicContact CD2-CD1 3.83Å; L339-W363 HydrophobicContact CD2-CD2 3.72Å; L339-W363 HydrophobicContact CD2-CE3 3.54Å; L339-W363 HydrophobicContact CD2-CG 4.39Å; L339-W363 HydrophobicContact CD2-CH2 4.08Å; L339-W363 HydrophobicContact CD2-CZ2 4.23Å; L339-W363 HydrophobicContact CD2-CZ3 3.71Å; L339-L379 HydrophobicContact CD2-CD1 4.2Å; L339-L379 HydrophobicContact CD2-CD2 4.23Å; L339-L379 HydrophobicContact CG-CD2 4.22Å
340	H	95.5	Very high	94.2	Very high	76 Å²	76	35.6 Å²	35.6	35%	0.352	20%	0.196	S	C	.	.	H	α-helix	trans	-57.9	-45.9	175.1	-174.3	-74.3	0	0	0	111.4	L336 L338 L342 L343 T344	L336-H340 PolarHBondContact O-N 2.73Å; L338-H340 PolarHBondContact O-N 3.08Å; H340-L342 PolarHBondContact O-N 3.3Å; H340-L343 PolarHBondContact O-N 3.3Å; H340-T344 WeakPolarHBondContact O-CB 3.27Å; H340-T344 PolarHBondContact O-N 2.98Å; H340-T344 PolarHBondContact O-OG1 3.32Å
341	S	95.7	Very high	94.1	Very high	44 Å²	44	36.4 Å²	36.4	31%	0.308	20%	0.202	S	C	.	.	H	α-helix	trans	-61.3	-40.7	177.8	-62.7	0	0	0	0	112.4	E337 L338 L339 R345	E337-S341 WeakPolarHBondContact O-CB 3.46Å; E337-S341 PolarHBondContact O-N 3.25Å; E337-S341 PolarHBondContact O-OG 2.69Å; L338-S341 WeakPolarHBondContact O-CB 3.49Å; L338-S341 PolarHBondContact O-N 3.49Å; L339-S341 VanDerWaalsContact C-N 3.33Å; L339-S341 PolarHBondContact O-N 3.16Å; S341-R345 WeakPolarHBondContact O-CG 3.39Å
342	L	97.1	Very high	93.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.5	-48.8	176.3	-69.3	168.6	0	0	0	111.4	V315 M318 A319 F322 L325 L334 L338 L339 H340 T344 R345	V315-L342 HydrophobicContact CG1-CD2 3.85Å; V315-L342 HydrophobicContact CG1-CG 4.4Å; V315-L342 WeakPolarHBondContact O-CD2 3.32Å; M318-L342 HydrophobicContact CB-CD2 3.85Å; A319-L342 HydrophobicContact CB-CD2 3.88Å; F322-L342 HydrophobicContact CD2-CD1 4.36Å; F322-L342 HydrophobicContact CE2-CB 4.34Å; F322-L342 HydrophobicContact CE2-CD1 4.22Å; L325-L342 HydrophobicContact CD2-CD1 3.83Å; L334-L342 HydrophobicContact CD2-CD1 4.05Å; L338-L342 HydrophobicContact CD1-CD1 4.35Å; L338-L342 HydrophobicContact CD1-CG 4.22Å; L338-L342 HydrophobicContact CG-CD1 4.18Å; L338-L342 VanDerWaalsContact O-CG 3.29Å; L338-L342 WeakPolarHBondContact O-CG 3.03Å; L338-L342 PolarHBondContact O-N 3.15Å; L339-L342 PolarHBondContact O-N 3.26Å; H340-L342 PolarHBondContact O-N 3.3Å; L342-T344 VanDerWaalsContact C-N 3.29Å; L342-T344 PolarHBondContact O-N 2.68Å; L342-R345 WeakPolarHBondContact O-CB 3.33Å; L342-R345 PolarHBondContact O-N 3.34Å
343	L	95.8	Very high	94	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-69.5	-24.4	-176.7	-67.2	177.3	0	0	0	113	F322 L339 H340 R345 L348 V356 L360 L379 L382 R442	F322-L343 HydrophobicContact CZ-CD2 4.24Å; L339-L343 HydrophobicContact CD1-CD1 4.1Å; L339-L343 HydrophobicContact CD1-CG 4.21Å; L339-L343 HydrophobicContact CG-CD1 4.04Å; L339-L343 WeakPolarHBondContact O-CG 3.24Å; L339-L343 PolarHBondContact O-N 3.32Å; H340-L343 PolarHBondContact O-N 3.3Å; L343-R345 VanDerWaalsContact C-N 3.25Å; L343-R345 PolarHBondContact O-N 3.04Å; L343-L348 HydrophobicContact CD2-CD2 4.35Å; L343-V356 HydrophobicContact CD2-CG1 3.43Å; L343-V356 VanDerWaalsContact CD2-CG1 3.43Å; L343-L360 HydrophobicContact CD1-CD1 4.04Å; L343-L360 HydrophobicContact CD1-CD2 3.97Å; L343-L379 HydrophobicContact CD1-CD2 4.32Å; L343-L382 HydrophobicContact CB-CB 3.96Å; L343-L382 HydrophobicContact CB-CD1 3.7Å; L343-L382 HydrophobicContact CB-CG 4.48Å; L343-L382 HydrophobicContact CD1-CD1 4.33Å; L343-R442 PolarHBondContact O-NH1 2.99Å; L343-R442 PolarHBondContact O-NH2 2.99Å
344	T	93.4	Very high	94.1	Very high	76 Å²	76	31.1 Å²	31.1	47%	0.466	17%	0.168	S	C	.	.	H	α-helix	trans	-69.9	-23.8	176	-58.4	0	0	0	0	112.4	H340 L342	H340-T344 WeakPolarHBondContact O-CB 3.27Å; H340-T344 PolarHBondContact O-N 2.98Å; H340-T344 PolarHBondContact O-OG1 3.32Å; L342-T344 VanDerWaalsContact C-N 3.29Å; L342-T344 PolarHBondContact O-N 2.68Å
345	R	92.8	Very high	94.2	Very high	54 Å²	54	32.8 Å²	32.8	20%	0.204	18%	0.175	C	C	.	.			trans	-70.8	137.3	-171.2	-71.5	-179.9	72.4	100.4	0.8	114.2	S341 L342 L343 D347 R384 R442	S341-R345 WeakPolarHBondContact O-CG 3.39Å; L342-R345 WeakPolarHBondContact O-CB 3.33Å; L342-R345 PolarHBondContact O-N 3.34Å; L343-R345 VanDerWaalsContact C-N 3.25Å; L343-R345 PolarHBondContact O-N 3.04Å; R345-D347 WeakPolarHBondContact CB-OD1 3.02Å; R345-D347 IonicContact CZ-OD1 2.63Å; R345-D347 VanDerWaalsContact CZ-OD1 3.27Å; R345-D347 IonicContact CZ-OD2 3.46Å; R345-D347 IonicContact NE-OD1 3.73Å; R345-D347 PolarHBondContact NE-OD1 2.77Å; R345-D347 IonicContact NE-OD2 2.82Å; R345-D347 VanDerWaalsContact NH2-CG 3.27Å; R345-D347 IonicContact NH2-OD1 3.17Å; R345-D347 PolarHBondContact NH2-OD1 3.37Å; R345-D347 VanDerWaalsContact NH2-OD1 3.07Å; R345-D347 IonicContact NH2-OD2 3.22Å; R345-D347 PolarHBondContact NH2-OD2 3.42Å; R345-R384 PolarHBondContact O-NH2 3.02Å; R345-R442 PolarHBondContact O-NH1 3.35Å
346	S	89.2	Confident	94.4	Very high	56 Å²	56	31 Å²	31	39%	0.392	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-20.2	173.3	59.3	0	0	0	0	114	R442	S346-R442 WeakPolarHBondContact O-CA 3.49Å
347	D	92.2	Very high	94.5	Very high	37 Å²	37	29.1 Å²	29.1	20%	0.198	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	15.3	178	72.7	-35.2	0	0	0	113.1	W320 R345 V349 I443	W320-D347 PolarHBondContact NE1-OD2 3.09Å; R345-D347 WeakPolarHBondContact CB-OD1 3.02Å; R345-D347 IonicContact CZ-OD1 2.63Å; R345-D347 VanDerWaalsContact CZ-OD1 3.27Å; R345-D347 IonicContact CZ-OD2 3.46Å; R345-D347 IonicContact NE-OD1 3.73Å; R345-D347 PolarHBondContact NE-OD1 2.77Å; R345-D347 IonicContact NE-OD2 2.82Å; R345-D347 VanDerWaalsContact NH2-CG 3.27Å; R345-D347 IonicContact NH2-OD1 3.17Å; R345-D347 PolarHBondContact NH2-OD1 3.37Å; R345-D347 VanDerWaalsContact NH2-OD1 3.07Å; R345-D347 IonicContact NH2-OD2 3.22Å; R345-D347 PolarHBondContact NH2-OD2 3.42Å; D347-V349 PolarHBondContact O-N 2.62Å; D347-I443 HydrophobicContact CB-CD1 3.98Å
348	L	95.4	Very high	94.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.146	C	C	.	.			trans	-59.1	128.1	170.7	-172.3	73.6	0	0	0	109.2	A319 F322 L343 V350 R442 I443	A319-L348 HydrophobicContact CB-CD1 3.8Å; F322-L348 HydrophobicContact CB-CD1 3.79Å; F322-L348 HydrophobicContact CB-CG 4.42Å; F322-L348 HydrophobicContact CD1-CD1 4.47Å; F322-L348 HydrophobicContact CD2-CD1 3.73Å; F322-L348 HydrophobicContact CE2-CD1 4.39Å; F322-L348 HydrophobicContact CG-CD1 3.75Å; F322-L348 HydrophobicContact CG-CG 4.37Å; L343-L348 HydrophobicContact CD2-CD2 4.35Å; L348-V350 HydrophobicContact CD2-CG1 4.05Å; L348-V350 HydrophobicContact CG-CG1 4.03Å; L348-R442 WeakPolarHBondContact O-CB 3.23Å; L348-I443 PolarHBondContact O-N 3.04Å; L348-I443 VanDerWaalsContact O-N 3.09Å
349	V	96	Very high	94.7	Very high	6 Å²	6	28.4 Å²	28.4	4%	0.036	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	116	-177.6	-176.9	0	0	0	0	109.9	A319 W320 D347 I443 T445 L553 I561 I564	A319-V349 PolarHBondContact O-N 3.34Å; W320-V349 HydrophobicContact CB-CG2 4.44Å; W320-V349 WeakPolarHBondContact O-CB 3.35Å; D347-V349 PolarHBondContact O-N 2.62Å; V349-I443 WeakPolarHBondContact CA-O 3.33Å; V349-I443 HydrophobicContact CG1-CG2 4.37Å; V349-I443 HydrophobicContact CG2-CB 4.05Å; V349-I443 HydrophobicContact CG2-CD1 4.23Å; V349-I443 HydrophobicContact CG2-CG2 4.06Å; V349-T445 HydrophobicContact CG1-CG2 3.46Å; V349-T445 VanDerWaalsContact CG1-CG2 3.46Å; V349-L553 HydrophobicContact CG1-CD2 3.64Å; V349-L553 HydrophobicContact CG2-CD2 4.14Å; V349-I561 HydrophobicContact CB-CD1 4.21Å; V349-I561 HydrophobicContact CG1-CD1 3.62Å; V349-I561 HydrophobicContact CG2-CD1 4.35Å; V349-I564 HydrophobicContact CG2-CD1 3.52Å
350	V	95.3	Very high	94.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	158	-175.4	-66.7	0	0	0	0	110.8	F322 L348 D352 F355 V356 I443 Y444 T445	F322-V350 HydrophobicContact CB-CG1 4.27Å; F322-V350 HydrophobicContact CD1-CG1 3.56Å; F322-V350 HydrophobicContact CE1-CG1 4.29Å; F322-V350 HydrophobicContact CG-CG1 4.26Å; L348-V350 HydrophobicContact CD2-CG1 4.05Å; L348-V350 HydrophobicContact CG-CG1 4.03Å; V350-D352 PolarHBondContact O-N 3.1Å; V350-F355 HydrophobicContact CB-CD1 4.2Å; V350-F355 HydrophobicContact CG1-CD1 4.31Å; V350-F355 HydrophobicContact CG1-CE1 4.49Å; V350-V356 HydrophobicContact CB-CG2 4.09Å; V350-V356 HydrophobicContact CG1-CG2 3.9Å; V350-V356 HydrophobicContact CG2-CG2 3.79Å; V350-I443 PolarHBondContact N-O 3.42Å; V350-I443 VanDerWaalsContact N-O 3.09Å; V350-Y444 HydrophobicContact CG2-CD1 3.86Å; V350-Y444 HydrophobicContact CG2-CE1 3.92Å; V350-Y444 CarbonylContact O-C 3.55Å; V350-Y444 WeakPolarHBondContact O-CA 3.4Å; V350-T445 PolarHBondContact O-N 2.87Å; V350-T445 PolarHBondContact O-OG1 3.09Å
351	P	92.8	Very high	94.7	Very high	24 Å²	24	25.3 Å²	25.3	16%	0.156	14%	0.138	C	C	.	.	S	Bend	trans	-57.6	-49.9	175.8	-27.3	36.1	0	0	0	113.1	F355 G446	P351-F355 HydrophobicContact CG-CD1 4.45Å; P351-F355 HydrophobicContact CG-CD2 4.47Å; P351-F355 HydrophobicContact CG-CG 4.25Å; P351-G446 WeakPolarHBondContact O-CA 3.36Å; P351-G446 PolarHBondContact O-N 3.39Å
352	D	91.8	Very high	94.7	Very high	47 Å²	47	25.6 Å²	25.6	25%	0.251	14%	0.14	S	C	.	.			trans	-159.8	174.7	176.3	57	45.6	0	0	0	110.1	V350 Y354 F355	V350-D352 PolarHBondContact O-N 3.1Å; D352-Y354 VanDerWaalsContact C-N 3.32Å; D352-Y354 WeakPolarHBondContact OD1-CB 3.33Å; D352-Y354 PolarHBondContact OD1-N 2.81Å; D352-Y354 VanDerWaalsContact OD1-N 3.1Å; D352-F355 PolarHBondContact OD1-N 2.93Å
353	E	93.3	Very high	94.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-72.1	-26.2	179.8	-158.3	72.6	-165.1	0	0	112.8	F355 V356 L357 I383 R384 M387 I388 R442 Y444	E353-F355 VanDerWaalsContact C-N 3.33Å; E353-F355 PolarHBondContact O-N 3.17Å; E353-V356 WeakPolarHBondContact O-CB 3.03Å; E353-V356 PolarHBondContact O-N 2.95Å; E353-L357 PolarHBondContact O-N 2.82Å; E353-I383 HydrophobicContact CG-CG2 4.3Å; E353-R384 HydrophobicContact CG-CB 3.93Å; E353-R384 WeakPolarHBondContact OE1-CB 3.49Å; E353-R384 WeakPolarHBondContact OE1-CG 3.48Å; E353-R384 PolarHBondContact OE1-N 3.11Å; E353-M387 HydrophobicContact CB-CB 4.14Å; E353-M387 HydrophobicContact CG-CB 4.41Å; E353-I388 HydrophobicContact CB-CG1 3.94Å; E353-I388 HydrophobicContact CG-CG1 4.18Å; E353-R442 IonicContact OE1-CZ 3.16Å; E353-R442 IonicContact OE1-NE 2.91Å; E353-R442 PolarHBondContact OE1-NE 2.87Å; E353-R442 IonicContact OE1-NH2 2.69Å; E353-R442 WeakPolarHBondContact OE2-CD 3.36Å; E353-R442 IonicContact OE2-NE 3.21Å; E353-R442 PolarHBondContact OE2-NE 3.47Å; E353-R442 VanDerWaalsContact OE2-NE 3.15Å; E353-Y444 HydrophobicContact CB-CE1 4.29Å; E353-Y444 WeakPolarHBondContact OE2-CE1 3.35Å; E353-Y444 PolarHBondContact OE2-OH 3.07Å
354	Y	93.7	Very high	94.6	Very high	25 Å²	25	25.9 Å²	25.9	10%	0.098	14%	0.141	C	C	.	.	H	α-helix	trans	-66.2	-38.6	178	-179.4	-108.3	0	0	0	111.1	D352 V356 L357 Q358 I388 K392 L396	D352-Y354 VanDerWaalsContact C-N 3.32Å; D352-Y354 WeakPolarHBondContact OD1-CB 3.33Å; D352-Y354 PolarHBondContact OD1-N 2.81Å; D352-Y354 VanDerWaalsContact OD1-N 3.1Å; Y354-V356 VanDerWaalsContact C-N 3.29Å; Y354-V356 PolarHBondContact O-N 2.98Å; Y354-L357 WeakPolarHBondContact O-CB 3.17Å; Y354-L357 PolarHBondContact O-N 3.38Å; Y354-Q358 HydrophobicContact CD1-CG 4.22Å; Y354-Q358 HydrophobicContact CE1-CG 3.82Å; Y354-Q358 HydrophobicContact CE2-CG 4.37Å; Y354-Q358 WeakPolarHBondContact O-CG 3.46Å; Y354-Q358 PolarHBondContact O-N 2.9Å; Y354-Q358 PolarHBondContact OH-NE2 3.3Å; Y354-I388 HydrophobicContact CD2-CG2 4.24Å; Y354-K392 HydrophobicContact CD1-CD 4.32Å; Y354-K392 HydrophobicContact CD1-CG 4.43Å; Y354-K392 HydrophobicContact CD2-CB 3.96Å; Y354-K392 HydrophobicContact CD2-CG 4.5Å; Y354-K392 HydrophobicContact CE1-CD 4.25Å; Y354-K392 HydrophobicContact CE2-CB 4.24Å; Y354-K392 HydrophobicContact CG-CB 4.23Å; Y354-K392 HydrophobicContact CG-CG 4.29Å; Y354-L396 HydrophobicContact CD2-CD2 4.44Å; Y354-L396 HydrophobicContact CE2-CD2 3.86Å
355	F	95.5	Very high	94.6	Very high	38 Å²	38	25.8 Å²	25.8	17%	0.167	14%	0.14	C	C	.	.	H	α-helix	trans	-54.8	-44.4	171.2	172	-95.8	0	0	0	111.8	F322 Q323 T326 V350 P351 D352 E353 L357 Q358 V359	F322-F355 HydrophobicContact CD1-CE1 4.3Å; F322-F355 HydrophobicContact CE1-CE1 4.46Å; Q323-F355 HydrophobicContact CB-CZ 4.42Å; Q323-F355 HydrophobicContact CG-CZ 4.07Å; T326-F355 HydrophobicContact CG2-CE1 4.49Å; T326-F355 HydrophobicContact CG2-CZ 4.46Å; T326-F355 WeakPolarHBondContact OG1-CZ 3.46Å; V350-F355 HydrophobicContact CB-CD1 4.2Å; V350-F355 HydrophobicContact CG1-CD1 4.31Å; V350-F355 HydrophobicContact CG1-CE1 4.49Å; P351-F355 HydrophobicContact CG-CD1 4.45Å; P351-F355 HydrophobicContact CG-CD2 4.47Å; P351-F355 HydrophobicContact CG-CG 4.25Å; D352-F355 PolarHBondContact OD1-N 2.93Å; E353-F355 VanDerWaalsContact C-N 3.33Å; E353-F355 PolarHBondContact O-N 3.17Å; F355-L357 VanDerWaalsContact C-N 3.33Å; F355-L357 PolarHBondContact O-N 2.91Å; F355-Q358 PolarHBondContact O-N 3.12Å; F355-V359 HydrophobicContact CD2-CG1 4.25Å; F355-V359 HydrophobicContact CE1-CG1 4.05Å; F355-V359 HydrophobicContact CE1-CG2 4.43Å; F355-V359 HydrophobicContact CE2-CG1 3.75Å; F355-V359 HydrophobicContact CZ-CG1 3.65Å; F355-V359 WeakPolarHBondContact O-CG2 3.43Å; F355-V359 PolarHBondContact O-N 3.33Å
356	V	96.8	Very high	94.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.6	-44.4	179	-170.6	0	0	0	0	110.9	L343 V350 E353 Y354 V359 L360 I383	L343-V356 HydrophobicContact CD2-CG1 3.43Å; L343-V356 VanDerWaalsContact CD2-CG1 3.43Å; V350-V356 HydrophobicContact CB-CG2 4.09Å; V350-V356 HydrophobicContact CG1-CG2 3.9Å; V350-V356 HydrophobicContact CG2-CG2 3.79Å; E353-V356 WeakPolarHBondContact O-CB 3.03Å; E353-V356 PolarHBondContact O-N 2.95Å; Y354-V356 VanDerWaalsContact C-N 3.29Å; Y354-V356 PolarHBondContact O-N 2.98Å; V356-V359 VanDerWaalsContact O-CG2 3.31Å; V356-V359 WeakPolarHBondContact O-CG2 3.49Å; V356-L360 WeakPolarHBondContact O-CB 3.34Å; V356-L360 PolarHBondContact O-N 2.87Å; V356-I383 HydrophobicContact CB-CD1 4.07Å; V356-I383 HydrophobicContact CG1-CD1 3.52Å
357	L	96.9	Very high	94.6	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-59.5	-47.5	175.7	179	63.3	0	0	0	111.3	E353 Y354 F355 L360 E361 L380 I383 F385 I388 L396 Y410	E353-L357 PolarHBondContact O-N 2.82Å; Y354-L357 WeakPolarHBondContact O-CB 3.17Å; Y354-L357 PolarHBondContact O-N 3.38Å; F355-L357 VanDerWaalsContact C-N 3.33Å; F355-L357 PolarHBondContact O-N 2.91Å; L357-L360 PolarHBondContact O-N 3.12Å; L357-E361 HydrophobicContact CD1-CG 4.09Å; L357-E361 HydrophobicContact CG-CG 4.41Å; L357-E361 WeakPolarHBondContact O-CB 3.45Å; L357-E361 WeakPolarHBondContact O-CG 3.46Å; L357-E361 PolarHBondContact O-N 3.01Å; L357-L380 HydrophobicContact CD1-CD2 4.28Å; L357-I383 HydrophobicContact CB-CG2 4.19Å; L357-I383 HydrophobicContact CD1-CG1 4.19Å; L357-I383 HydrophobicContact CD1-CG2 4.37Å; L357-F385 HydrophobicContact CD1-CZ 4.35Å; L357-F385 HydrophobicContact CD2-CE1 4.45Å; L357-F385 HydrophobicContact CD2-CZ 4.45Å; L357-I388 HydrophobicContact CD2-CD1 4.14Å; L357-L396 HydrophobicContact CD2-CD1 4.44Å; L357-L396 HydrophobicContact CD2-CD2 3.68Å; L357-Y410 HydrophobicContact CD1-CE1 4.32Å; L357-Y410 HydrophobicContact CD2-CE1 4.45Å
358	Q	96.1	Very high	94	Very high	89 Å²	89	26.9 Å²	26.9	42%	0.416	15%	0.152	S	C	.	.	H	α-helix	trans	-62.5	-46.7	-178	-68.7	-173.9	-64.6	0	0	112.9	Y354 F355 L360 S362	Y354-Q358 HydrophobicContact CD1-CG 4.22Å; Y354-Q358 HydrophobicContact CE1-CG 3.82Å; Y354-Q358 HydrophobicContact CE2-CG 4.37Å; Y354-Q358 WeakPolarHBondContact O-CG 3.46Å; Y354-Q358 PolarHBondContact O-N 2.9Å; Y354-Q358 PolarHBondContact OH-NE2 3.3Å; F355-Q358 PolarHBondContact O-N 3.12Å; Q358-L360 VanDerWaalsContact C-N 3.32Å; Q358-S362 PolarHBondContact O-N 3.27Å; Q358-S362 VanDerWaalsContact O-N 3.1Å
359	V	96.9	Very high	93.4	Very high	22 Å²	22	32.7 Å²	32.7	13%	0.133	19%	0.192	C	C	.	.	H	α-helix	trans	-68.4	-35	179.8	-60.3	0	0	0	0	111.4	F322 T326 W331 F355 V356 W363	F322-V359 HydrophobicContact CE1-CG2 4.01Å; F322-V359 HydrophobicContact CZ-CG2 4.42Å; T326-V359 HydrophobicContact CG2-CB 4.06Å; T326-V359 HydrophobicContact CG2-CG1 4.14Å; T326-V359 HydrophobicContact CG2-CG2 3.91Å; W331-V359 HydrophobicContact CH2-CG2 4.48Å; W331-V359 HydrophobicContact CZ2-CB 4.12Å; W331-V359 HydrophobicContact CZ2-CG2 4.17Å; F355-V359 HydrophobicContact CD2-CG1 4.25Å; F355-V359 HydrophobicContact CE1-CG1 4.05Å; F355-V359 HydrophobicContact CE1-CG2 4.43Å; F355-V359 HydrophobicContact CE2-CG1 3.75Å; F355-V359 HydrophobicContact CZ-CG1 3.65Å; F355-V359 WeakPolarHBondContact O-CG2 3.43Å; F355-V359 PolarHBondContact O-N 3.33Å; V356-V359 VanDerWaalsContact O-CG2 3.31Å; V356-V359 WeakPolarHBondContact O-CG2 3.49Å; V359-W363 WeakPolarHBondContact O-CB 3.22Å; V359-W363 PolarHBondContact O-N 3.22Å
360	L	96.8	Very high	93	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-69.1	-45.5	177.1	-178.5	60.6	0	0	0	111.8	L339 L343 V356 L357 Q358 S362 W363 I364 L379 L380 I383	L339-L360 HydrophobicContact CD2-CD1 3.83Å; L343-L360 HydrophobicContact CD1-CD1 4.04Å; L343-L360 HydrophobicContact CD1-CD2 3.97Å; V356-L360 WeakPolarHBondContact O-CB 3.34Å; V356-L360 PolarHBondContact O-N 2.87Å; L357-L360 PolarHBondContact O-N 3.12Å; Q358-L360 VanDerWaalsContact C-N 3.32Å; L360-S362 VanDerWaalsContact C-N 3.28Å; L360-S362 PolarHBondContact O-N 3.48Å; L360-W363 PolarHBondContact O-N 3.4Å; L360-W363 VanDerWaalsContact O-N 3.15Å; L360-I364 HydrophobicContact CD1-CD1 3.98Å; L360-I364 HydrophobicContact CD1-CG1 4.1Å; L360-I364 HydrophobicContact CD2-CD1 4.42Å; L360-I364 HydrophobicContact CG-CD1 3.82Å; L360-I364 HydrophobicContact CG-CG1 4.35Å; L360-I364 WeakPolarHBondContact O-CB 3.43Å; L360-I364 WeakPolarHBondContact O-CG1 3.46Å; L360-I364 PolarHBondContact O-N 3.44Å; L360-L379 HydrophobicContact CD1-CB 4.33Å; L360-L379 HydrophobicContact CD1-CD1 4.29Å; L360-L379 HydrophobicContact CD2-CB 4.3Å; L360-L380 HydrophobicContact CD2-CD2 4.27Å; L360-I383 HydrophobicContact CD2-CD1 3.76Å; L360-I383 HydrophobicContact CD2-CG1 3.92Å
361	E	95.6	Very high	92.7	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-57.6	-43.6	174.9	-77.3	-178.5	-179	0	0	111.2	L357 T365 S400 L401 L402 Y410	L357-E361 HydrophobicContact CD1-CG 4.09Å; L357-E361 HydrophobicContact CG-CG 4.41Å; L357-E361 WeakPolarHBondContact O-CB 3.45Å; L357-E361 WeakPolarHBondContact O-CG 3.46Å; L357-E361 PolarHBondContact O-N 3.01Å; E361-T365 WeakPolarHBondContact O-CB 3.42Å; E361-T365 PolarHBondContact O-N 2.94Å; E361-T365 PolarHBondContact O-OG1 3.09Å; E361-S400 VanDerWaalsContact CD-OG 3.26Å; E361-S400 WeakPolarHBondContact OE1-CB 3.49Å; E361-S400 PolarHBondContact OE1-OG 2.89Å; E361-S400 WeakPolarHBondContact OE2-CA 3.16Å; E361-S400 PolarHBondContact OE2-OG 3.12Å; E361-L401 HydrophobicContact CB-CB 4.35Å; E361-L401 HydrophobicContact CB-CD1 4.34Å; E361-L401 PolarHBondContact OE2-N 3.19Å; E361-L402 HydrophobicContact CB-CD1 4.34Å; E361-L402 HydrophobicContact CB-CG 4.42Å; E361-L402 HydrophobicContact CG-CB 4.35Å; E361-L402 HydrophobicContact CG-CD1 4.11Å; E361-L402 HydrophobicContact CG-CG 4.19Å; E361-Y410 PolarHBondContact OE1-OH 3.19Å
362	S	94.8	Very high	92.7	Very high	50 Å²	50	39.6 Å²	39.6	35%	0.35	24%	0.239	S	C	.	.	H	α-helix	trans	-63.1	-42.4	176.2	-179.8	0	0	0	0	111.9	Q358 L360 T365 N366	Q358-S362 PolarHBondContact O-N 3.27Å; Q358-S362 VanDerWaalsContact O-N 3.1Å; L360-S362 VanDerWaalsContact C-N 3.28Å; L360-S362 PolarHBondContact O-N 3.48Å; S362-T365 PolarHBondContact O-N 2.88Å; S362-N366 VanDerWaalsContact O-CG 3.23Å; S362-N366 PolarHBondContact O-N 2.92Å; S362-N366 VanDerWaalsContact O-N 3.1Å; S362-N366 PolarHBondContact O-ND2 2.87Å
363	W	95.8	Very high	92.7	Very high	8 Å²	8	41.1 Å²	41.1	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-65.1	-46.5	178.2	-172.5	92.4	0	0	0	112.3	W331 A332 L334 L336 L339 V359 L360 T365 N366 N367 L371 L379	W331-W363 AromaticContact CE2-CD1 3.66Å; W331-W363 HydrophobicContact CZ2-CB 3.87Å; W331-W363 HydrophobicContact CZ2-CG 4.12Å; W331-W363 AromaticContact NE1-CD1 3.67Å; W331-W363 PolarHBondContact O-NE1 2.98Å; A332-W363 PolarHBondContact O-NE1 3.43Å; L334-W363 WeakPolarHBondContact O-CZ2 3.31Å; L336-W363 HydrophobicContact CD1-CH2 4.38Å; L336-W363 HydrophobicContact CD1-CZ3 4.47Å; L339-W363 HydrophobicContact CD2-CD2 3.72Å; L339-W363 HydrophobicContact CD2-CE3 3.54Å; L339-W363 HydrophobicContact CD2-CG 4.39Å; L339-W363 HydrophobicContact CD2-CH2 4.08Å; L339-W363 HydrophobicContact CD2-CZ2 4.23Å; L339-W363 HydrophobicContact CD2-CZ3 3.71Å; V359-W363 WeakPolarHBondContact O-CB 3.22Å; V359-W363 PolarHBondContact O-N 3.22Å; L360-W363 PolarHBondContact O-N 3.4Å; L360-W363 VanDerWaalsContact O-N 3.15Å; W363-T365 VanDerWaalsContact C-N 3.34Å; W363-T365 PolarHBondContact O-N 2.88Å; W363-N366 PolarHBondContact O-N 3.24Å; W363-N367 HydrophobicContact CE3-CB 4.5Å; W363-N367 HydrophobicContact CH2-CB 4.25Å; W363-N367 HydrophobicContact CZ2-CB 4.39Å; W363-N367 WeakPolarHBondContact CZ2-ND2 3.49Å; W363-N367 HydrophobicContact CZ3-CB 4.33Å; W363-N367 PolarHBondContact NE1-ND2 2.93Å; W363-N367 WeakPolarHBondContact O-CB 3.21Å; W363-N367 PolarHBondContact O-N 2.92Å; W363-N367 PolarHBondContact O-ND2 3.06Å; W363-L371 HydrophobicContact CE3-CD1 4.33Å; W363-L371 HydrophobicContact CH2-CD1 4.14Å; W363-L371 HydrophobicContact CZ3-CD1 3.54Å; W363-L371 HydrophobicContact CZ3-CD2 4.48Å; W363-L379 HydrophobicContact CE3-CD1 4.45Å; W363-L379 HydrophobicContact CZ3-CD1 3.94Å
364	I	95.8	Very high	92.7	Very high	1 Å²	1	48 Å²	48	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-62.6	-41.9	176.1	-68.9	171.1	0	0	0	110.5	L360 N366 N367 G368 Q376 L379 L380 L402	L360-I364 HydrophobicContact CD1-CD1 3.98Å; L360-I364 HydrophobicContact CD1-CG1 4.1Å; L360-I364 HydrophobicContact CD2-CD1 4.42Å; L360-I364 HydrophobicContact CG-CD1 3.82Å; L360-I364 HydrophobicContact CG-CG1 4.35Å; L360-I364 WeakPolarHBondContact O-CB 3.43Å; L360-I364 WeakPolarHBondContact O-CG1 3.46Å; L360-I364 PolarHBondContact O-N 3.44Å; I364-N366 VanDerWaalsContact C-N 3.28Å; I364-N366 PolarHBondContact O-N 3.19Å; I364-N367 CarbonylContact O-C 3.57Å; I364-N367 PolarHBondContact O-N 3.05Å; I364-G368 WeakPolarHBondContact O-CA 3.39Å; I364-G368 PolarHBondContact O-N 3.34Å; I364-Q376 HydrophobicContact CG2-CB 4.33Å; I364-Q376 HydrophobicContact CG2-CG 3.76Å; I364-L379 HydrophobicContact CD1-CB 4.26Å; I364-L379 HydrophobicContact CD1-CD1 4.25Å; I364-L379 HydrophobicContact CG1-CD1 4.16Å; I364-L380 HydrophobicContact CD1-CD2 4.13Å; I364-L380 HydrophobicContact CD1-CG 4.04Å; I364-L402 HydrophobicContact CB-CD1 3.84Å; I364-L402 HydrophobicContact CD1-CD1 4.08Å; I364-L402 HydrophobicContact CG2-CD1 3.58Å
365	T	93.2	Very high	92.7	Very high	74 Å²	74	50.2 Å²	50.2	45%	0.454	30%	0.297	S	S	.	.	H	α-helix	trans	-60.8	-39.6	178	-56.3	0	0	0	0	111.5	E361 S362 W363	E361-T365 WeakPolarHBondContact O-CB 3.42Å; E361-T365 PolarHBondContact O-N 2.94Å; E361-T365 PolarHBondContact O-OG1 3.09Å; S362-T365 PolarHBondContact O-N 2.88Å; W363-T365 VanDerWaalsContact C-N 3.34Å; W363-T365 PolarHBondContact O-N 2.88Å
366	N	92.4	Very high	92.6	Very high	107 Å²	107	49.7 Å²	49.7	57%	0.572	30%	0.295	S	S	*	.	H	α-helix	trans	-73.1	-35.9	178.9	-68.7	-18.6	0	0	0	112.9	S362 W363 I364	S362-N366 VanDerWaalsContact O-CG 3.23Å; S362-N366 PolarHBondContact O-N 2.92Å; S362-N366 VanDerWaalsContact O-N 3.1Å; S362-N366 PolarHBondContact O-ND2 2.87Å; W363-N366 PolarHBondContact O-N 3.24Å; I364-N366 VanDerWaalsContact C-N 3.28Å; I364-N366 PolarHBondContact O-N 3.19Å
367	N	90.6	Very high	92.5	Very high	37 Å²	37	51 Å²	51	20%	0.198	30%	0.304	C	S	.	.	H	α-helix	trans	-98.8	5.3	-177.7	-74.5	-59.7	0	0	0	113.9	A332 W363 I364 S369 S370 L371	A332-N367 PolarHBondContact O-ND2 2.95Å; W363-N367 HydrophobicContact CE3-CB 4.5Å; W363-N367 HydrophobicContact CH2-CB 4.25Å; W363-N367 HydrophobicContact CZ2-CB 4.39Å; W363-N367 WeakPolarHBondContact CZ2-ND2 3.49Å; W363-N367 HydrophobicContact CZ3-CB 4.33Å; W363-N367 PolarHBondContact NE1-ND2 2.93Å; W363-N367 WeakPolarHBondContact O-CB 3.21Å; W363-N367 PolarHBondContact O-N 2.92Å; W363-N367 PolarHBondContact O-ND2 3.06Å; I364-N367 CarbonylContact O-C 3.57Å; I364-N367 PolarHBondContact O-N 3.05Å; N367-S369 PolarHBondContact O-N 3.39Å; N367-S369 VanDerWaalsContact O-N 3.09Å; N367-S370 PolarHBondContact O-N 2.7Å; N367-L371 HydrophobicContact CB-CD1 3.93Å; N367-L371 PolarHBondContact O-N 2.96Å
368	G	78.8	Confident	92.3	Very high	26 Å²	26	54.2 Å²	54.2	27%	0.268	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25	-166	0	0	0	0	0	114.6	I364 S370 L371	I364-G368 WeakPolarHBondContact O-CA 3.39Å; I364-G368 PolarHBondContact O-N 3.34Å; G368-S370 VanDerWaalsContact C-N 3.27Å; G368-S370 PolarHBondContact O-N 2.99Å; G368-L371 PolarHBondContact O-N 3.24Å
369	S	82.1	Confident	92.3	Very high	121 Å²	121	50 Å²	50	85%	0.846	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-26.1	174.3	57.4	0	0	0	0	113.5	N367	N367-S369 PolarHBondContact O-N 3.39Å; N367-S369 VanDerWaalsContact O-N 3.09Å
370	S	87.3	Confident	92.2	Very high	99 Å²	99	49 Å²	49	69%	0.692	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-10	-178.1	-58.2	0	0	0	0	113	N367 G368	N367-S370 PolarHBondContact O-N 2.7Å; G368-S370 VanDerWaalsContact C-N 3.27Å; G368-S370 PolarHBondContact O-N 2.99Å
371	L	91	Very high	92	Very high	21 Å²	21	56.1 Å²	56.1	11%	0.11	32%	0.321	C	S	.	.	S	Bend	trans	-107.7	130	-174.8	-65.9	165.1	0	0	0	110.9	L336 W363 N367 G368 Q375 Q376	L336-L371 HydrophobicContact CD1-CD2 4.02Å; L336-L371 HydrophobicContact CD2-CD2 4.04Å; W363-L371 HydrophobicContact CE3-CD1 4.33Å; W363-L371 HydrophobicContact CH2-CD1 4.14Å; W363-L371 HydrophobicContact CZ3-CD1 3.54Å; W363-L371 HydrophobicContact CZ3-CD2 4.48Å; N367-L371 HydrophobicContact CB-CD1 3.93Å; N367-L371 PolarHBondContact O-N 2.96Å; G368-L371 PolarHBondContact O-N 3.24Å; L371-Q375 HydrophobicContact CD2-CB 4.41Å; L371-Q376 HydrophobicContact CB-CG 4Å; L371-Q376 PolarHBondContact O-NE2 2.66Å
372	S	92.8	Very high	92	Very high	55 Å²	55	57.3 Å²	57.3	39%	0.385	33%	0.328	S	S	.	.			trans	-66.1	155.4	168.6	66.6	0	0	0	0	111.3	E374 Q375 Q376	S372-E374 PolarHBondContact O-N 3.06Å; S372-Q375 PolarHBondContact O-N 3.45Å; S372-Q375 VanDerWaalsContact OG-CD 3.31Å; S372-Q375 VanDerWaalsContact OG-CG 3.24Å; S372-Q375 WeakPolarHBondContact OG-CG 3.48Å; S372-Q375 PolarHBondContact OG-N 3.16Å; S372-Q375 PolarHBondContact OG-OE1 3.3Å; S372-Q376 WeakPolarHBondContact O-CG 3.5Å; S372-Q376 PolarHBondContact O-N 3.49Å; S372-Q376 VanDerWaalsContact O-N 3.12Å
373	S	90.7	Very high	92	Very high	79 Å²	79	55.2 Å²	55.2	55%	0.552	31%	0.313	S	S	*	.	H	α-helix	trans	-57.2	-36.6	176.3	-168.4	0	0	0	0	112.2	Q376 V377	S373-Q376 PolarHBondContact O-N 3.15Å; S373-V377 WeakPolarHBondContact O-CG2 3.28Å; S373-V377 PolarHBondContact O-N 2.81Å
374	E	92.4	Very high	91.8	Very high	144 Å²	144	55.3 Å²	55.3	67%	0.673	31%	0.313	S	S	*	.	H	α-helix	trans	-63.2	-47.6	177.2	-172	172.5	-167.2	0	0	111.8	S372 Q376 V377 D378	S372-E374 PolarHBondContact O-N 3.06Å; E374-Q376 VanDerWaalsContact C-N 3.28Å; E374-Q376 PolarHBondContact O-N 3.47Å; E374-V377 WeakPolarHBondContact O-CB 3.49Å; E374-V377 PolarHBondContact O-N 3.23Å; E374-V377 VanDerWaalsContact O-N 3.13Å; E374-D378 PolarHBondContact O-N 2.94Å
375	Q	94.1	Very high	91.7	Very high	73 Å²	73	55.5 Å²	55.5	34%	0.341	31%	0.314	S	S	.	.	H	α-helix	trans	-61.5	-35.6	176.1	-72.3	166.5	-47.4	0	0	112.9	L336 L371 S372 L379	L336-Q375 HydrophobicContact CD2-CB 4.4Å; L336-Q375 HydrophobicContact CD2-CG 4.16Å; L371-Q375 HydrophobicContact CD2-CB 4.41Å; S372-Q375 PolarHBondContact O-N 3.45Å; S372-Q375 VanDerWaalsContact OG-CD 3.31Å; S372-Q375 VanDerWaalsContact OG-CG 3.24Å; S372-Q375 WeakPolarHBondContact OG-CG 3.48Å; S372-Q375 PolarHBondContact OG-N 3.16Å; S372-Q375 PolarHBondContact OG-OE1 3.3Å; Q375-L379 WeakPolarHBondContact O-CG 3.34Å; Q375-L379 PolarHBondContact O-N 2.96Å; Q375-L379 VanDerWaalsContact O-N 3.11Å
376	Q	94.4	Very high	91.4	Very high	27 Å²	27	52.3 Å²	52.3	13%	0.126	30%	0.295	C	S	.	.	H	α-helix	trans	-65.7	-45	175	-63.7	176.6	24.3	0	0	111.1	I364 L371 S372 S373 E374 D378 L379 L380 H406	I364-Q376 HydrophobicContact CG2-CB 4.33Å; I364-Q376 HydrophobicContact CG2-CG 3.76Å; L371-Q376 HydrophobicContact CB-CG 4Å; L371-Q376 PolarHBondContact O-NE2 2.66Å; S372-Q376 WeakPolarHBondContact O-CG 3.5Å; S372-Q376 PolarHBondContact O-N 3.49Å; S372-Q376 VanDerWaalsContact O-N 3.12Å; S373-Q376 PolarHBondContact O-N 3.15Å; E374-Q376 VanDerWaalsContact C-N 3.28Å; E374-Q376 PolarHBondContact O-N 3.47Å; Q376-D378 VanDerWaalsContact C-N 3.34Å; Q376-L379 PolarHBondContact O-N 3.22Å; Q376-L380 WeakPolarHBondContact O-CB 3.16Å; Q376-L380 VanDerWaalsContact O-CG 3.27Å; Q376-L380 WeakPolarHBondContact O-CG 3.34Å; Q376-L380 PolarHBondContact O-N 3.39Å; Q376-H406 PolarHBondContact OE1-NE2 2.89Å
377	V	93.8	Very high	91.2	Very high	28 Å²	28	48.5 Å²	48.5	17%	0.17	27%	0.274	C	S	.	.	H	α-helix	trans	-61.7	-43.2	176.3	168.6	0	0	0	0	110.9	S373 E374 L379 L380 R381 L409	S373-V377 WeakPolarHBondContact O-CG2 3.28Å; S373-V377 PolarHBondContact O-N 2.81Å; E374-V377 WeakPolarHBondContact O-CB 3.49Å; E374-V377 PolarHBondContact O-N 3.23Å; E374-V377 VanDerWaalsContact O-N 3.13Å; V377-L379 PolarHBondContact O-N 3.16Å; V377-L380 PolarHBondContact O-N 3.32Å; V377-R381 HydrophobicContact CG1-CG 4.36Å; V377-R381 WeakPolarHBondContact O-CB 3.36Å; V377-R381 VanDerWaalsContact O-CG 3.27Å; V377-R381 WeakPolarHBondContact O-CG 3.05Å; V377-R381 PolarHBondContact O-N 2.87Å; V377-L409 HydrophobicContact CG1-CD1 4.46Å; V377-L409 HydrophobicContact CG1-CD2 4.2Å
378	D	93.7	Very high	91.1	Very high	67 Å²	67	46.9 Å²	46.9	36%	0.358	27%	0.265	S	S	.	.	H	α-helix	trans	-61.5	-42.2	178.8	-72.4	-22	0	0	0	112.1	E374 Q376 R381	E374-D378 PolarHBondContact O-N 2.94Å; Q376-D378 VanDerWaalsContact C-N 3.34Å; D378-R381 PolarHBondContact O-N 3.35Å
379	L	94.9	Very high	91.4	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-64.2	-45.9	173.6	-74.4	175.6	0	0	0	112.2	L336 L339 L343 L360 W363 I364 Q375 Q376 V377 R381 L382	L336-L379 HydrophobicContact CD1-CD1 3.58Å; L336-L379 HydrophobicContact CD1-CD2 3.99Å; L336-L379 HydrophobicContact CD1-CG 3.98Å; L339-L379 HydrophobicContact CD2-CD1 4.2Å; L339-L379 HydrophobicContact CD2-CD2 4.23Å; L339-L379 HydrophobicContact CG-CD2 4.22Å; L343-L379 HydrophobicContact CD1-CD2 4.32Å; L360-L379 HydrophobicContact CD1-CB 4.33Å; L360-L379 HydrophobicContact CD1-CD1 4.29Å; L360-L379 HydrophobicContact CD2-CB 4.3Å; W363-L379 HydrophobicContact CE3-CD1 4.45Å; W363-L379 HydrophobicContact CZ3-CD1 3.94Å; I364-L379 HydrophobicContact CD1-CB 4.26Å; I364-L379 HydrophobicContact CD1-CD1 4.25Å; I364-L379 HydrophobicContact CG1-CD1 4.16Å; Q375-L379 WeakPolarHBondContact O-CG 3.34Å; Q375-L379 PolarHBondContact O-N 2.96Å; Q375-L379 VanDerWaalsContact O-N 3.11Å; Q376-L379 PolarHBondContact O-N 3.22Å; V377-L379 PolarHBondContact O-N 3.16Å; L379-R381 PolarHBondContact O-N 2.76Å; L379-L382 WeakPolarHBondContact O-CB 3.06Å; L379-L382 PolarHBondContact O-N 2.88Å; L379-L382 VanDerWaalsContact O-N 3.08Å
380	L	95	Very high	91.5	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-64.7	-30.3	-178.9	-72.2	170.7	0	0	0	112.2	L357 L360 I364 Q376 V377 L382 I383 L402 H406 L409 Y410	L357-L380 HydrophobicContact CD1-CD2 4.28Å; L360-L380 HydrophobicContact CD2-CD2 4.27Å; I364-L380 HydrophobicContact CD1-CD2 4.13Å; I364-L380 HydrophobicContact CD1-CG 4.04Å; Q376-L380 WeakPolarHBondContact O-CB 3.16Å; Q376-L380 VanDerWaalsContact O-CG 3.27Å; Q376-L380 WeakPolarHBondContact O-CG 3.34Å; Q376-L380 PolarHBondContact O-N 3.39Å; V377-L380 PolarHBondContact O-N 3.32Å; L380-L382 PolarHBondContact O-N 2.97Å; L380-I383 WeakPolarHBondContact O-CB 2.82Å; L380-I383 PolarHBondContact O-N 3.47Å; L380-L402 HydrophobicContact CD1-CD1 4.4Å; L380-H406 HydrophobicContact CD1-CB 4.28Å; L380-L409 HydrophobicContact CB-CD2 3.54Å; L380-L409 HydrophobicContact CD1-CD2 4.06Å; L380-L409 HydrophobicContact CG-CD2 4.47Å; L380-Y410 HydrophobicContact CD1-CE2 4.12Å
381	R	93.6	Very high	91.4	Very high	150 Å²	150	47.8 Å²	47.8	57%	0.566	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.7	173.4	-77.4	172.8	175	-171.3	-0.1	114	V377 D378 L379 I383 L409	V377-R381 HydrophobicContact CG1-CG 4.36Å; V377-R381 WeakPolarHBondContact O-CB 3.36Å; V377-R381 VanDerWaalsContact O-CG 3.27Å; V377-R381 WeakPolarHBondContact O-CG 3.05Å; V377-R381 PolarHBondContact O-N 2.87Å; D378-R381 PolarHBondContact O-N 3.35Å; L379-R381 PolarHBondContact O-N 2.76Å; R381-I383 PolarHBondContact O-N 3.44Å; R381-L409 HydrophobicContact CG-CD1 3.81Å
382	L	94.3	Very high	91.4	Very high	34 Å²	34	50.8 Å²	50.8	18%	0.178	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.9	176.1	-59.2	175.2	0	0	0	113.1	L343 L379 L380 R442	L343-L382 HydrophobicContact CB-CB 3.96Å; L343-L382 HydrophobicContact CB-CD1 3.7Å; L343-L382 HydrophobicContact CB-CG 4.48Å; L343-L382 HydrophobicContact CD1-CD1 4.33Å; L379-L382 WeakPolarHBondContact O-CB 3.06Å; L379-L382 PolarHBondContact O-N 2.88Å; L379-L382 VanDerWaalsContact O-N 3.08Å; L380-L382 PolarHBondContact O-N 2.97Å; L382-R442 PolarHBondContact O-NH2 3.3Å
383	I	95.4	Very high	91.3	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.026	25%	0.245	C	C	.	.	S	Bend	trans	-77.6	128.9	176.4	-58.8	-58.2	0	0	0	110	E353 V356 L357 L360 L380 R381 F385 I388	E353-I383 HydrophobicContact CG-CG2 4.3Å; V356-I383 HydrophobicContact CB-CD1 4.07Å; V356-I383 HydrophobicContact CG1-CD1 3.52Å; L357-I383 HydrophobicContact CB-CG2 4.19Å; L357-I383 HydrophobicContact CD1-CG1 4.19Å; L357-I383 HydrophobicContact CD1-CG2 4.37Å; L360-I383 HydrophobicContact CD2-CD1 3.76Å; L360-I383 HydrophobicContact CD2-CG1 3.92Å; L380-I383 WeakPolarHBondContact O-CB 2.82Å; L380-I383 PolarHBondContact O-N 3.47Å; R381-I383 PolarHBondContact O-N 3.44Å; I383-F385 VanDerWaalsContact C-N 3.33Å; I383-F385 HydrophobicContact CB-CD2 4.09Å; I383-F385 HydrophobicContact CB-CE2 3.89Å; I383-F385 HydrophobicContact CG2-CD2 3.84Å; I383-F385 HydrophobicContact CG2-CE2 3.83Å; I383-F385 WeakPolarHBondContact O-CD2 3.49Å; I383-F385 PolarHBondContact O-N 2.94Å; I383-I388 HydrophobicContact CG2-CD1 4.21Å
384	R	92.5	Very high	91.2	Very high	11 Å²	11	53.2 Å²	53.2	4%	0.042	25%	0.253	C	S	.	.			trans	-86.6	71	-178.1	-54.9	-173.5	-176.9	153.9	11.5	111.1	R345 E353 P386 M387 G437 D438 K440	R345-R384 PolarHBondContact O-NH2 3.02Å; E353-R384 HydrophobicContact CG-CB 3.93Å; E353-R384 WeakPolarHBondContact OE1-CB 3.49Å; E353-R384 WeakPolarHBondContact OE1-CG 3.48Å; E353-R384 PolarHBondContact OE1-N 3.11Å; R384-P386 VanDerWaalsContact C-N 3.26Å; R384-P386 VanDerWaalsContact O-N 3.11Å; R384-M387 HydrophobicContact CB-CB 4.27Å; R384-M387 HydrophobicContact CB-CG 3.93Å; R384-M387 WeakPolarHBondContact O-CA 3.49Å; R384-M387 WeakPolarHBondContact O-CB 3.29Å; R384-M387 PolarHBondContact O-N 3.2Å; R384-G437 VanDerWaalsContact CD-O 3.28Å; R384-G437 WeakPolarHBondContact CD-O 3.35Å; R384-G437 PolarHBondContact NE-O 2.73Å; R384-G437 VanDerWaalsContact NE-O 3.13Å; R384-D438 WeakPolarHBondContact CB-O 3.29Å; R384-K440 WeakPolarHBondContact CD-O 3.33Å; R384-K440 PolarHBondContact NH1-O 3.37Å
385	F	91.8	Very high	91.2	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.018	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-47.2	-39.1	-179.5	-80.3	-101.9	0	0	0	114.8	L357 I383 M387 I388 L393 L396 Y410 S413 V414 A417	L357-F385 HydrophobicContact CD1-CZ 4.35Å; L357-F385 HydrophobicContact CD2-CE1 4.45Å; L357-F385 HydrophobicContact CD2-CZ 4.45Å; I383-F385 VanDerWaalsContact C-N 3.33Å; I383-F385 HydrophobicContact CB-CD2 4.09Å; I383-F385 HydrophobicContact CB-CE2 3.89Å; I383-F385 HydrophobicContact CG2-CD2 3.84Å; I383-F385 HydrophobicContact CG2-CE2 3.83Å; I383-F385 WeakPolarHBondContact O-CD2 3.49Å; I383-F385 PolarHBondContact O-N 2.94Å; F385-M387 PolarHBondContact O-N 3.41Å; F385-M387 VanDerWaalsContact O-N 3.09Å; F385-I388 HydrophobicContact CD1-CD1 4.08Å; F385-I388 HydrophobicContact CG-CD1 4.3Å; F385-I388 WeakPolarHBondContact O-CB 3.14Å; F385-I388 PolarHBondContact O-N 2.99Å; F385-L393 HydrophobicContact CD1-CD2 4Å; F385-L396 HydrophobicContact CD1-CD1 4.25Å; F385-L396 HydrophobicContact CE1-CD1 3.79Å; F385-Y410 AromaticContact CE1-CD1 3.98Å; F385-Y410 HydrophobicContact CE1-CD1 3.98Å; F385-Y410 HydrophobicContact CE1-CE1 4.26Å; F385-Y410 AromaticContact CZ-CD1 3.92Å; F385-Y410 HydrophobicContact CZ-CD1 3.92Å; F385-Y410 AromaticContact CZ-CE1 3.95Å; F385-Y410 HydrophobicContact CZ-CE1 3.95Å; F385-S413 WeakPolarHBondContact CB-O 3.38Å; F385-S413 VanDerWaalsContact CD2-CB 3.46Å; F385-V414 HydrophobicContact CD1-CG2 4.13Å; F385-V414 HydrophobicContact CE1-CG2 4.2Å; F385-A417 HydrophobicContact CB-CB 4.14Å; F385-A417 WeakPolarHBondContact O-CB 3.24Å
386	P	88.4	Confident	91.1	Very high	8 Å²	8	45.1 Å²	45.1	5%	0.052	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-58.3	-21.2	174.6	-27	36.8	0	0	0	115.2	R384 K416 F420 Y439	R384-P386 VanDerWaalsContact C-N 3.26Å; R384-P386 VanDerWaalsContact O-N 3.11Å; P386-K416 HydrophobicContact CG-CG 4.42Å; P386-F420 HydrophobicContact CB-CB 4.14Å; P386-F420 HydrophobicContact CB-CD1 3.81Å; P386-F420 HydrophobicContact CB-CE1 4.49Å; P386-F420 HydrophobicContact CB-CG 4.04Å; P386-Y439 HydrophobicContact CB-CD1 3.77Å; P386-Y439 HydrophobicContact CB-CE1 3.87Å; P386-Y439 HydrophobicContact CG-CD1 3.9Å; P386-Y439 HydrophobicContact CG-CE1 3.63Å
387	M	87.8	Confident	90.8	Very high	27 Å²	27	49.8 Å²	49.8	13%	0.133	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-91.1	-4.1	177.5	-56.5	-65	97	0	0	113.3	E353 R384 F385 F420 P441 Y444 F597	E353-M387 HydrophobicContact CB-CB 4.14Å; E353-M387 HydrophobicContact CG-CB 4.41Å; R384-M387 HydrophobicContact CB-CB 4.27Å; R384-M387 HydrophobicContact CB-CG 3.93Å; R384-M387 WeakPolarHBondContact O-CA 3.49Å; R384-M387 WeakPolarHBondContact O-CB 3.29Å; R384-M387 PolarHBondContact O-N 3.2Å; F385-M387 PolarHBondContact O-N 3.41Å; F385-M387 VanDerWaalsContact O-N 3.09Å; M387-F420 HydrophobicContact CE-CD1 4.19Å; M387-F420 HydrophobicContact CE-CE1 3.47Å; M387-F420 VanDerWaalsContact CE-CE1 3.47Å; M387-F420 HydrophobicContact CE-CZ 3.87Å; M387-P441 HydrophobicContact SD-CB 3.93Å; M387-P441 HydrophobicContact SD-CG 4.49Å; M387-Y444 HydrophobicContact CB-CE2 4.35Å; M387-Y444 VanDerWaalsContact CB-OH 3.31Å; M387-Y444 WeakPolarHBondContact CB-OH 3.37Å; M387-F597 HydrophobicContact CE-CE2 4.22Å
388	I	89.3	Confident	90.6	Very high	2 Å²	2	53 Å²	53	1%	0.01	26%	0.262	C	S	.	.	S	Bend	trans	-80.9	133.8	175.1	-61.2	177.4	0	0	0	109.2	E353 Y354 L357 I383 F385 K392 L393	E353-I388 HydrophobicContact CB-CG1 3.94Å; E353-I388 HydrophobicContact CG-CG1 4.18Å; Y354-I388 HydrophobicContact CD2-CG2 4.24Å; L357-I388 HydrophobicContact CD2-CD1 4.14Å; I383-I388 HydrophobicContact CG2-CD1 4.21Å; F385-I388 HydrophobicContact CD1-CD1 4.08Å; F385-I388 HydrophobicContact CG-CD1 4.3Å; F385-I388 WeakPolarHBondContact O-CB 3.14Å; F385-I388 PolarHBondContact O-N 2.99Å; I388-K392 HydrophobicContact CG2-CB 3.82Å; I388-L393 HydrophobicContact CB-CD2 3.8Å; I388-L393 HydrophobicContact CB-CG 4.03Å; I388-L393 HydrophobicContact CD1-CD2 4.33Å; I388-L393 HydrophobicContact CG2-CD2 3.8Å; I388-L393 HydrophobicContact CG2-CG 3.8Å; I388-L393 WeakPolarHBondContact O-CD1 3.41Å
389	P	85.2	Confident	90.5	Very high	60 Å²	60	55.2 Å²	55.2	39%	0.39	27%	0.269	S	S	.	.			trans	-58.1	140.4	176.4	-24.6	34	0	0	0	113.1	E391 K392 L393	P389-E391 PolarHBondContact O-N 3.49Å; P389-E391 VanDerWaalsContact O-N 3.15Å; P389-K392 HydrophobicContact CB-CG 4.33Å; P389-K392 WeakPolarHBondContact O-CA 3.32Å; P389-K392 WeakPolarHBondContact O-CB 3.38Å; P389-K392 PolarHBondContact O-N 3.41Å; P389-L393 PolarHBondContact O-N 2.91Å
390	A	84.1	Confident	90.4	Very high	43 Å²	43	55.9 Å²	55.9	36%	0.355	27%	0.273	S	S	.	.	H	α-helix	trans	-52.8	-39.3	-178.4	0	0	0	0	0	113.7	K392 L393 Y394 Y418 I421	A390-K392 VanDerWaalsContact C-N 3.27Å; A390-K392 PolarHBondContact O-N 2.97Å; A390-L393 PolarHBondContact O-N 2.82Å; A390-Y394 PolarHBondContact O-N 3.36Å; A390-Y418 HydrophobicContact CB-CE1 4.39Å; A390-I421 HydrophobicContact CB-CD1 4.18Å
391	E	84.9	Confident	90.2	Very high	162 Å²	162	60.9 Å²	60.9	76%	0.757	30%	0.299	S	S	*	.	H	α-helix	trans	-59.6	-37.6	176.8	-62.3	177.1	-172.4	0	0	112.3	P389	P389-E391 PolarHBondContact O-N 3.49Å; P389-E391 VanDerWaalsContact O-N 3.15Å
392	K	89.5	Confident	90.2	Very high	84 Å²	84	54.4 Å²	54.4	37%	0.365	28%	0.276	S	S	.	.	H	α-helix	trans	-78.2	-36.2	178.6	-60.1	-60.9	-175.3	-176.3	0	111.6	Y354 I388 P389 A390 Y394 D395 L396	Y354-K392 HydrophobicContact CD1-CD 4.32Å; Y354-K392 HydrophobicContact CD1-CG 4.43Å; Y354-K392 HydrophobicContact CD2-CB 3.96Å; Y354-K392 HydrophobicContact CD2-CG 4.5Å; Y354-K392 HydrophobicContact CE1-CD 4.25Å; Y354-K392 HydrophobicContact CE2-CB 4.24Å; Y354-K392 HydrophobicContact CG-CB 4.23Å; Y354-K392 HydrophobicContact CG-CG 4.29Å; I388-K392 HydrophobicContact CG2-CB 3.82Å; P389-K392 HydrophobicContact CB-CG 4.33Å; P389-K392 WeakPolarHBondContact O-CA 3.32Å; P389-K392 WeakPolarHBondContact O-CB 3.38Å; P389-K392 PolarHBondContact O-N 3.41Å; A390-K392 VanDerWaalsContact C-N 3.27Å; A390-K392 PolarHBondContact O-N 2.97Å; K392-Y394 VanDerWaalsContact C-N 3.32Å; K392-Y394 PolarHBondContact O-N 3.18Å; K392-D395 PolarHBondContact O-N 2.74Å; K392-L396 WeakPolarHBondContact O-CG 3.32Å; K392-L396 PolarHBondContact O-N 3.38Å
393	L	90.9	Very high	90.1	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-60	-41.8	175.5	-71.4	172.7	0	0	0	111.8	F385 I388 P389 A390 D395 L396 V414 A417 I421	F385-L393 HydrophobicContact CD1-CD2 4Å; I388-L393 HydrophobicContact CB-CD2 3.8Å; I388-L393 HydrophobicContact CB-CG 4.03Å; I388-L393 HydrophobicContact CD1-CD2 4.33Å; I388-L393 HydrophobicContact CG2-CD2 3.8Å; I388-L393 HydrophobicContact CG2-CG 3.8Å; I388-L393 WeakPolarHBondContact O-CD1 3.41Å; P389-L393 PolarHBondContact O-N 2.91Å; A390-L393 PolarHBondContact O-N 2.82Å; L393-D395 VanDerWaalsContact C-N 3.29Å; L393-D395 PolarHBondContact O-N 3.48Å; L393-L396 HydrophobicContact CD2-CD1 3.89Å; L393-L396 WeakPolarHBondContact O-CB 3.45Å; L393-L396 PolarHBondContact O-N 3.28Å; L393-V414 HydrophobicContact CD2-CG2 4.29Å; L393-A417 HydrophobicContact CD1-CB 3.56Å; L393-A417 HydrophobicContact CD2-CB 4.29Å; L393-I421 HydrophobicContact CD1-CD1 3.95Å
394	Y	88.8	Confident	89.9	Confident	181 Å²	181	58.4 Å²	58.4	71%	0.71	31%	0.305	S	S	*	.	H	α-helix	trans	-60.4	-38.8	178	-178.9	-96.7	0	0	0	112.6	A390 K392 L396 Y418	A390-Y394 PolarHBondContact O-N 3.36Å; K392-Y394 VanDerWaalsContact C-N 3.32Å; K392-Y394 PolarHBondContact O-N 3.18Å; Y394-L396 VanDerWaalsContact C-N 3.3Å; Y394-L396 PolarHBondContact O-N 3.22Å; Y394-Y418 WeakPolarHBondContact CA-OH 3.07Å; Y394-Y418 PolarHBondContact N-OH 3.04Å
395	D	92.3	Very high	89.9	Confident	45 Å²	45	61 Å²	61	24%	0.241	33%	0.329	C	S	.	.	H	α-helix	trans	-78.3	-10.8	-176.8	-73.8	-15.6	0	0	0	114	K392 L393 E397 S398 K399	K392-D395 PolarHBondContact O-N 2.74Å; L393-D395 VanDerWaalsContact C-N 3.29Å; L393-D395 PolarHBondContact O-N 3.48Å; D395-E397 VanDerWaalsContact C-N 3.34Å; D395-E397 PolarHBondContact O-N 3.17Å; D395-S398 PolarHBondContact O-N 2.63Å; D395-S398 PolarHBondContact O-OG 3.25Å; D395-K399 HydrophobicContact CB-CD 3.89Å; D395-K399 HydrophobicContact CB-CG 4.33Å; D395-K399 PolarHBondContact O-N 2.89Å; D395-K399 IonicContact OD2-NZ 3.45Å; D395-K399 PolarHBondContact OD2-NZ 3.08Å
396	L	92.6	Very high	90	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-58.3	-40.6	-171	-75	179.4	0	0	0	113.4	Y354 L357 F385 K392 L393 Y394 S398 K399 S400 F403 V414	Y354-L396 HydrophobicContact CD2-CD2 4.44Å; Y354-L396 HydrophobicContact CE2-CD2 3.86Å; L357-L396 HydrophobicContact CD2-CD1 4.44Å; L357-L396 HydrophobicContact CD2-CD2 3.68Å; F385-L396 HydrophobicContact CD1-CD1 4.25Å; F385-L396 HydrophobicContact CE1-CD1 3.79Å; K392-L396 WeakPolarHBondContact O-CG 3.32Å; K392-L396 PolarHBondContact O-N 3.38Å; L393-L396 HydrophobicContact CD2-CD1 3.89Å; L393-L396 WeakPolarHBondContact O-CB 3.45Å; L393-L396 PolarHBondContact O-N 3.28Å; Y394-L396 VanDerWaalsContact C-N 3.3Å; Y394-L396 PolarHBondContact O-N 3.22Å; L396-S398 PolarHBondContact O-N 3.45Å; L396-S398 VanDerWaalsContact O-N 3.09Å; L396-K399 PolarHBondContact O-N 3.11Å; L396-S400 WeakPolarHBondContact O-CB 3.15Å; L396-S400 PolarHBondContact O-N 3.12Å; L396-F403 HydrophobicContact CB-CD2 4.47Å; L396-V414 HydrophobicContact CD1-CG2 3.86Å
397	E	88.4	Confident	90.3	Very high	126 Å²	126	67.8 Å²	67.8	59%	0.589	35%	0.354	S	S	*	.	H	α-helix	trans	-56.9	-29.5	179.3	179.7	166.8	-148	0	0	112.5	D395 F403	D395-E397 VanDerWaalsContact C-N 3.34Å; D395-E397 PolarHBondContact O-N 3.17Å; E397-F403 HydrophobicContact CB-CD1 4.36Å; E397-F403 HydrophobicContact CB-CE1 3.9Å; E397-F403 HydrophobicContact CB-CE2 4.18Å; E397-F403 HydrophobicContact CB-CZ 3.8Å; E397-F403 HydrophobicContact CG-CD1 4.18Å; E397-F403 HydrophobicContact CG-CE1 3.63Å; E397-F403 HydrophobicContact CG-CZ 3.97Å
398	S	89.3	Confident	90.6	Very high	96 Å²	96	73.2 Å²	73.2	67%	0.671	38%	0.384	S	S	*	.	H	α-helix	trans	-98.3	-28.5	-179.3	69.2	0	0	0	0	114.5	D395 L396	D395-S398 PolarHBondContact O-N 2.63Å; D395-S398 PolarHBondContact O-OG 3.25Å; L396-S398 PolarHBondContact O-N 3.45Å; L396-S398 VanDerWaalsContact O-N 3.09Å
399	K	91.4	Very high	90.8	Very high	113 Å²	113	74.3 Å²	74.3	49%	0.491	39%	0.39	S	S	.	.	H	α-helix	trans	-107	-24.1	-169.9	-68.3	-173.7	-174.1	163.3	0	114.7	D395 L396	D395-K399 HydrophobicContact CB-CD 3.89Å; D395-K399 HydrophobicContact CB-CG 4.33Å; D395-K399 PolarHBondContact O-N 2.89Å; D395-K399 IonicContact OD2-NZ 3.45Å; D395-K399 PolarHBondContact OD2-NZ 3.08Å; L396-K399 PolarHBondContact O-N 3.11Å
400	S	92.3	Very high	91.3	Very high	16 Å²	16	71.4 Å²	71.4	11%	0.112	37%	0.371	C	S	.	.			trans	-72.3	137.8	-179.6	163.4	0	0	0	0	110.5	E361 L396 L402 F403 Y410	E361-S400 VanDerWaalsContact CD-OG 3.26Å; E361-S400 WeakPolarHBondContact OE1-CB 3.49Å; E361-S400 PolarHBondContact OE1-OG 2.89Å; E361-S400 WeakPolarHBondContact OE2-CA 3.16Å; E361-S400 PolarHBondContact OE2-OG 3.12Å; L396-S400 WeakPolarHBondContact O-CB 3.15Å; L396-S400 PolarHBondContact O-N 3.12Å; S400-L402 VanDerWaalsContact C-N 3.34Å; S400-L402 PolarHBondContact OG-N 3.19Å; S400-F403 PolarHBondContact OG-N 2.02Å; S400-F403 VanDerWaalsContact OG-N 3.11Å; S400-Y410 WeakPolarHBondContact OG-CE1 3.25Å; S400-Y410 PolarHBondContact OG-OH 3Å
401	L	91.7	Very high	91.8	Very high	105 Å²	105	73.4 Å²	73.4	55%	0.55	37%	0.373	S	S	.	.	S	Bend	trans	-74.2	-28.5	179.7	-61.2	174.8	0	0	0	112.1	E361	E361-L401 HydrophobicContact CB-CB 4.35Å; E361-L401 HydrophobicContact CB-CD1 4.34Å; E361-L401 PolarHBondContact OE2-N 3.19Å
402	L	93.3	Very high	92.1	Very high	15 Å²	15	70.8 Å²	70.8	8%	0.079	36%	0.364	C	S	.	.	S	Bend	trans	-111.5	-1.2	-171.1	-64.8	-177.4	0	0	0	114	E361 I364 L380 S400 S404 A405 H406 Y410	E361-L402 HydrophobicContact CB-CD1 4.34Å; E361-L402 HydrophobicContact CB-CG 4.42Å; E361-L402 HydrophobicContact CG-CB 4.35Å; E361-L402 HydrophobicContact CG-CD1 4.11Å; E361-L402 HydrophobicContact CG-CG 4.19Å; I364-L402 HydrophobicContact CB-CD1 3.84Å; I364-L402 HydrophobicContact CD1-CD1 4.08Å; I364-L402 HydrophobicContact CG2-CD1 3.58Å; L380-L402 HydrophobicContact CD1-CD1 4.4Å; S400-L402 VanDerWaalsContact C-N 3.34Å; S400-L402 PolarHBondContact OG-N 3.19Å; L402-S404 VanDerWaalsContact C-N 3.3Å; L402-S404 PolarHBondContact O-N 3.42Å; L402-A405 PolarHBondContact O-N 2.74Å; L402-A405 VanDerWaalsContact O-N 3.13Å; L402-H406 PolarHBondContact O-N 2.87Å; L402-Y410 HydrophobicContact CB-CE2 4.42Å
403	F	93.1	Very high	92.3	Very high	16 Å²	16	67.5 Å²	67.5	7%	0.07	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-42.8	179.6	-173.5	-84.7	0	0	0	112.9	L396 E397 S400 H406 R407 Y410 H411	L396-F403 HydrophobicContact CB-CD2 4.47Å; E397-F403 HydrophobicContact CB-CD1 4.36Å; E397-F403 HydrophobicContact CB-CE1 3.9Å; E397-F403 HydrophobicContact CB-CE2 4.18Å; E397-F403 HydrophobicContact CB-CZ 3.8Å; E397-F403 HydrophobicContact CG-CD1 4.18Å; E397-F403 HydrophobicContact CG-CE1 3.63Å; E397-F403 HydrophobicContact CG-CZ 3.97Å; S400-F403 PolarHBondContact OG-N 2.02Å; S400-F403 VanDerWaalsContact OG-N 3.11Å; F403-H406 CarbonylContact O-C 3.56Å; F403-R407 HydrophobicContact CE1-CG 4.49Å; F403-R407 WeakPolarHBondContact O-CA 3.42Å; F403-R407 PolarHBondContact O-N 3.15Å; F403-R407 VanDerWaalsContact O-N 3.07Å; F403-Y410 AromaticContact CD2-CD1 3.67Å; F403-Y410 HydrophobicContact CD2-CD1 3.67Å; F403-Y410 AromaticContact CD2-CG 3.74Å; F403-Y410 HydrophobicContact CD2-CG 3.74Å; F403-Y410 HydrophobicContact CE2-CD1 4.41Å; F403-Y410 HydrophobicContact CE2-CG 4.34Å; F403-Y410 HydrophobicContact CG-CG 4.46Å; F403-H411 AromaticContact CE1-NE2 3.96Å; F403-H411 AromaticContact CZ-CE1 3.94Å; F403-H411 AromaticContact CZ-NE2 3.53Å
404	S	91.2	Very high	92.4	Very high	106 Å²	106	68.3 Å²	68.3	74%	0.741	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-33.9	-179.8	59.2	0	0	0	0	112.7	L402	L402-S404 VanDerWaalsContact C-N 3.3Å; L402-S404 PolarHBondContact O-N 3.42Å
405	A	91.8	Very high	92.5	Very high	67 Å²	67	64.3 Å²	64.3	55%	0.554	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-36.8	179.5	0	0	0	0	0	112.4	L402	L402-A405 PolarHBondContact O-N 2.74Å; L402-A405 VanDerWaalsContact O-N 3.13Å
406	H	94.1	Very high	92.3	Very high	16 Å²	16	64.1 Å²	64.1	7%	0.074	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120	40.9	-175.3	-65.4	-67.2	0	0	0	112.2	Q376 L380 L402 F403 D408 L409 Y410	Q376-H406 PolarHBondContact OE1-NE2 2.89Å; L380-H406 HydrophobicContact CD1-CB 4.28Å; L402-H406 PolarHBondContact O-N 2.87Å; F403-H406 CarbonylContact O-C 3.56Å; H406-D408 VanDerWaalsContact C-N 3.34Å; H406-D408 PolarHBondContact O-N 3.34Å; H406-L409 HydrophobicContact CB-CB 4.45Å; H406-L409 WeakPolarHBondContact O-CB 3.32Å; H406-L409 PolarHBondContact O-N 3.06Å; H406-L409 VanDerWaalsContact O-N 3.12Å; H406-Y410 HydrophobicContact CB-CD2 4.12Å; H406-Y410 HydrophobicContact CB-CE2 4.15Å; H406-Y410 WeakPolarHBondContact O-CD2 3.06Å; H406-Y410 PolarHBondContact O-N 2.89Å
407	R	94.2	Very high	92.1	Very high	137 Å²	137	64 Å²	64	52%	0.517	34%	0.344	S	S	.	.	H	α-helix	trans	-49.7	-49.8	-170.2	-177.1	171.7	-172	165.3	11.8	113.4	F403 L409 Y410 H411	F403-R407 HydrophobicContact CE1-CG 4.49Å; F403-R407 WeakPolarHBondContact O-CA 3.42Å; F403-R407 PolarHBondContact O-N 3.15Å; F403-R407 VanDerWaalsContact O-N 3.07Å; R407-L409 VanDerWaalsContact C-N 3.33Å; R407-L409 PolarHBondContact O-N 3.25Å; R407-Y410 PolarHBondContact O-N 2.86Å; R407-H411 VanDerWaalsContact CG-CD2 3.41Å; R407-H411 WeakPolarHBondContact CG-CD2 3.49Å; R407-H411 PolarHBondContact NE-NE2 3Å; R407-H411 PolarHBondContact O-CD2 2.88Å; R407-H411 PolarHBondContact O-N 3.44Å
408	D	93.9	Very high	92	Very high	141 Å²	141	61.7 Å²	61.7	75%	0.754	33%	0.33	S	S	*	.	H	α-helix	trans	-62.9	-39.9	-175.6	-61.5	-28.6	0	0	0	112.2	H406 H411 D412	H406-D408 VanDerWaalsContact C-N 3.34Å; H406-D408 PolarHBondContact O-N 3.34Å; D408-H411 PolarHBondContact O-N 3.27Å; D408-D412 PolarHBondContact O-N 3.44Å; D408-D412 VanDerWaalsContact O-N 3.08Å
409	L	94.3	Very high	91.8	Very high	25 Å²	25	61.8 Å²	61.8	13%	0.131	32%	0.32	C	S	.	.	H	α-helix	trans	-63.7	-46	176.7	178.9	70.1	0	0	0	111.6	V377 L380 R381 H406 R407 D412 S413	V377-L409 HydrophobicContact CG1-CD1 4.46Å; V377-L409 HydrophobicContact CG1-CD2 4.2Å; L380-L409 HydrophobicContact CB-CD2 3.54Å; L380-L409 HydrophobicContact CD1-CD2 4.06Å; L380-L409 HydrophobicContact CG-CD2 4.47Å; R381-L409 HydrophobicContact CG-CD1 3.81Å; H406-L409 HydrophobicContact CB-CB 4.45Å; H406-L409 WeakPolarHBondContact O-CB 3.32Å; H406-L409 PolarHBondContact O-N 3.06Å; H406-L409 VanDerWaalsContact O-N 3.12Å; R407-L409 VanDerWaalsContact C-N 3.33Å; R407-L409 PolarHBondContact O-N 3.25Å; L409-D412 PolarHBondContact O-N 3.35Å; L409-S413 VanDerWaalsContact O-CB 3.3Å; L409-S413 WeakPolarHBondContact O-CB 3.44Å; L409-S413 PolarHBondContact O-N 3.22Å; L409-S413 PolarHBondContact O-OG 3.26Å
410	Y	95.3	Very high	91.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.1	-41.3	179.2	-83.9	-104.3	0	0	0	111.5	L357 E361 L380 F385 S400 L402 F403 H406 R407 S413 V414	L357-Y410 HydrophobicContact CD1-CE1 4.32Å; L357-Y410 HydrophobicContact CD2-CE1 4.45Å; E361-Y410 PolarHBondContact OE1-OH 3.19Å; L380-Y410 HydrophobicContact CD1-CE2 4.12Å; F385-Y410 AromaticContact CE1-CD1 3.98Å; F385-Y410 HydrophobicContact CE1-CD1 3.98Å; F385-Y410 HydrophobicContact CE1-CE1 4.26Å; F385-Y410 AromaticContact CZ-CD1 3.92Å; F385-Y410 HydrophobicContact CZ-CD1 3.92Å; F385-Y410 AromaticContact CZ-CE1 3.95Å; F385-Y410 HydrophobicContact CZ-CE1 3.95Å; S400-Y410 WeakPolarHBondContact OG-CE1 3.25Å; S400-Y410 PolarHBondContact OG-OH 3Å; L402-Y410 HydrophobicContact CB-CE2 4.42Å; F403-Y410 AromaticContact CD2-CD1 3.67Å; F403-Y410 HydrophobicContact CD2-CD1 3.67Å; F403-Y410 AromaticContact CD2-CG 3.74Å; F403-Y410 HydrophobicContact CD2-CG 3.74Å; F403-Y410 HydrophobicContact CE2-CD1 4.41Å; F403-Y410 HydrophobicContact CE2-CG 4.34Å; F403-Y410 HydrophobicContact CG-CG 4.46Å; H406-Y410 HydrophobicContact CB-CD2 4.12Å; H406-Y410 HydrophobicContact CB-CE2 4.15Å; H406-Y410 WeakPolarHBondContact O-CD2 3.06Å; H406-Y410 PolarHBondContact O-N 2.89Å; R407-Y410 PolarHBondContact O-N 2.86Å; Y410-S413 PolarHBondContact O-N 3.23Å; Y410-V414 VanDerWaalsContact O-CB 3.22Å; Y410-V414 WeakPolarHBondContact O-CB 3.42Å; Y410-V414 WeakPolarHBondContact O-CG2 3.33Å; Y410-V414 PolarHBondContact O-N 3.32Å
411	H	94.1	Very high	90.6	Very high	84 Å²	84	57 Å²	57	39%	0.389	30%	0.298	S	S	.	.	H	α-helix	trans	-59.9	-47.8	176.6	-86.2	-68.1	0	0	0	111.7	F403 R407 D408 L415	F403-H411 AromaticContact CE1-NE2 3.96Å; F403-H411 AromaticContact CZ-CE1 3.94Å; F403-H411 AromaticContact CZ-NE2 3.53Å; R407-H411 VanDerWaalsContact CG-CD2 3.41Å; R407-H411 WeakPolarHBondContact CG-CD2 3.49Å; R407-H411 PolarHBondContact NE-NE2 3Å; R407-H411 PolarHBondContact O-CD2 2.88Å; R407-H411 PolarHBondContact O-N 3.44Å; D408-H411 PolarHBondContact O-N 3.27Å; H411-L415 VanDerWaalsContact O-CB 3.25Å; H411-L415 WeakPolarHBondContact O-CB 3.04Å; H411-L415 PolarHBondContact O-N 2.89Å
412	D	93.1	Very high	90	Very high	107 Å²	107	56.6 Å²	56.6	57%	0.572	30%	0.299	S	S	*	.	H	α-helix	trans	-62.3	-46	178.1	-171.1	54.5	0	0	0	111.7	D408 L409 V414 L415 K416	D408-D412 PolarHBondContact O-N 3.44Å; D408-D412 VanDerWaalsContact O-N 3.08Å; L409-D412 PolarHBondContact O-N 3.35Å; D412-V414 PolarHBondContact O-N 3.37Å; D412-L415 PolarHBondContact O-N 2.88Å; D412-K416 WeakPolarHBondContact O-CB 3.46Å; D412-K416 PolarHBondContact O-N 3.3Å
413	S	92.5	Very high	88.9	Confident	16 Å²	16	59.8 Å²	59.8	11%	0.112	32%	0.316	C	S	.	.	H	α-helix	trans	-66.2	-39.6	-178.7	-55	0	0	0	0	112.8	F385 L409 Y410 A417	F385-S413 WeakPolarHBondContact CB-O 3.38Å; F385-S413 VanDerWaalsContact CD2-CB 3.46Å; L409-S413 VanDerWaalsContact O-CB 3.3Å; L409-S413 WeakPolarHBondContact O-CB 3.44Å; L409-S413 PolarHBondContact O-N 3.22Å; L409-S413 PolarHBondContact O-OG 3.26Å; Y410-S413 PolarHBondContact O-N 3.23Å; S413-A417 WeakPolarHBondContact O-CB 3.31Å; S413-A417 PolarHBondContact O-N 3.21Å
414	V	93.1	Very high	87.8	Confident	21 Å²	21	59.5 Å²	59.5	13%	0.127	32%	0.315	C	S	.	.	H	α-helix	trans	-69.5	-40.5	176.5	170.2	0	0	0	0	110.9	F385 L393 L396 Y410 D412 A417 Y418	F385-V414 HydrophobicContact CD1-CG2 4.13Å; F385-V414 HydrophobicContact CE1-CG2 4.2Å; L393-V414 HydrophobicContact CD2-CG2 4.29Å; L396-V414 HydrophobicContact CD1-CG2 3.86Å; Y410-V414 VanDerWaalsContact O-CB 3.22Å; Y410-V414 WeakPolarHBondContact O-CB 3.42Å; Y410-V414 WeakPolarHBondContact O-CG2 3.33Å; Y410-V414 PolarHBondContact O-N 3.32Å; D412-V414 PolarHBondContact O-N 3.37Å; V414-A417 WeakPolarHBondContact O-CB 2.96Å; V414-A417 PolarHBondContact O-N 3.29Å; V414-Y418 HydrophobicContact CG1-CD2 3.63Å; V414-Y418 HydrophobicContact CG1-CE2 3.32Å; V414-Y418 VanDerWaalsContact O-CD2 3.27Å; V414-Y418 WeakPolarHBondContact O-CD2 3.48Å; V414-Y418 PolarHBondContact O-N 3.03Å
415	L	90.2	Very high	86.4	Confident	96 Å²	96	58 Å²	58	50%	0.503	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-45.9	175.4	-173.9	117.8	0	0	0	111	H411 D412 A417 Y418 Q419	H411-L415 VanDerWaalsContact O-CB 3.25Å; H411-L415 WeakPolarHBondContact O-CB 3.04Å; H411-L415 PolarHBondContact O-N 2.89Å; D412-L415 PolarHBondContact O-N 2.88Å; L415-A417 VanDerWaalsContact C-N 3.29Å; L415-A417 PolarHBondContact O-N 3.02Å; L415-Y418 PolarHBondContact O-N 3.27Å; L415-Q419 VanDerWaalsContact CD2-NE2 3.34Å; L415-Q419 WeakPolarHBondContact O-CG 3.19Å; L415-Q419 PolarHBondContact O-N 3.27Å
416	K	88.2	Confident	85.2	Confident	41 Å²	41	59.4 Å²	59.4	18%	0.178	31%	0.306	C	S	.	.	H	α-helix	trans	-55.9	-44.2	173.3	-174.5	179	-177.1	178.5	0	111.5	P386 D412 Q419 F420 E435 D438 Y439	P386-K416 HydrophobicContact CG-CG 4.42Å; D412-K416 WeakPolarHBondContact O-CB 3.46Å; D412-K416 PolarHBondContact O-N 3.3Å; K416-Q419 PolarHBondContact O-N 3.4Å; K416-F420 PolarHBondContact O-N 3.29Å; K416-E435 VanDerWaalsContact CE-OE2 3.26Å; K416-E435 WeakPolarHBondContact CE-OE2 3.36Å; K416-E435 IonicContact NZ-OE2 3.78Å; K416-D438 IonicContact NZ-OD2 2.75Å; K416-D438 PolarHBondContact NZ-OD2 3.04Å; K416-Y439 VanDerWaalsContact CE-CZ 3.45Å; K416-Y439 WeakPolarHBondContact CE-OH 3.43Å
417	A	89	Confident	83.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-45.7	177.9	0	0	0	0	0	113	F385 L393 S413 V414 L415 Q419 F420 I421	F385-A417 HydrophobicContact CB-CB 4.14Å; F385-A417 WeakPolarHBondContact O-CB 3.24Å; L393-A417 HydrophobicContact CD1-CB 3.56Å; L393-A417 HydrophobicContact CD2-CB 4.29Å; S413-A417 WeakPolarHBondContact O-CB 3.31Å; S413-A417 PolarHBondContact O-N 3.21Å; V414-A417 WeakPolarHBondContact O-CB 2.96Å; V414-A417 PolarHBondContact O-N 3.29Å; L415-A417 VanDerWaalsContact C-N 3.29Å; L415-A417 PolarHBondContact O-N 3.02Å; A417-Q419 PolarHBondContact O-N 2.98Å; A417-F420 WeakPolarHBondContact O-CB 3.33Å; A417-F420 PolarHBondContact O-N 3.12Å; A417-I421 VanDerWaalsContact O-CG1 3.27Å; A417-I421 WeakPolarHBondContact O-CG1 3.42Å; A417-I421 PolarHBondContact O-N 3.41Å
418	Y	86.3	Confident	82.4	Confident	78 Å²	78	57.6 Å²	57.6	31%	0.306	31%	0.31	S	S	.	.	H	α-helix	trans	-64.8	-39.6	176.9	-76.9	-56	0	0	0	112.8	A390 Y394 V414 L415 F420 I421 V422	A390-Y418 HydrophobicContact CB-CE1 4.39Å; Y394-Y418 WeakPolarHBondContact CA-OH 3.07Å; Y394-Y418 PolarHBondContact N-OH 3.04Å; V414-Y418 HydrophobicContact CG1-CD2 3.63Å; V414-Y418 HydrophobicContact CG1-CE2 3.32Å; V414-Y418 VanDerWaalsContact O-CD2 3.27Å; V414-Y418 WeakPolarHBondContact O-CD2 3.48Å; V414-Y418 PolarHBondContact O-N 3.03Å; L415-Y418 PolarHBondContact O-N 3.27Å; Y418-F420 VanDerWaalsContact C-N 3.31Å; Y418-F420 PolarHBondContact O-N 3.09Å; Y418-I421 PolarHBondContact O-N 3.17Å; Y418-V422 WeakPolarHBondContact O-CB 3.27Å; Y418-V422 WeakPolarHBondContact O-CG2 3.42Å; Y418-V422 PolarHBondContact O-N 2.94Å
419	Q	84.6	Confident	81	Confident	98 Å²	98	56.1 Å²	56.1	46%	0.458	30%	0.296	S	S	.	.	H	α-helix	trans	-58.3	-44.9	173.9	-74.5	179.2	1.2	0	0	111.1	L415 K416 A417 L423	L415-Q419 VanDerWaalsContact CD2-NE2 3.34Å; L415-Q419 WeakPolarHBondContact O-CG 3.19Å; L415-Q419 PolarHBondContact O-N 3.27Å; K416-Q419 PolarHBondContact O-N 3.4Å; A417-Q419 PolarHBondContact O-N 2.98Å; Q419-L423 WeakPolarHBondContact O-CA 3.39Å; Q419-L423 VanDerWaalsContact O-CB 3.24Å; Q419-L423 WeakPolarHBondContact O-CB 3.42Å; Q419-L423 PolarHBondContact O-N 3.26Å
420	F	81.3	Confident	79.4	Confident	3 Å²	3	58 Å²	58	1%	0.013	31%	0.312	C	S	.	.	H	α-helix	trans	-60.9	-47.9	176.1	175.8	-105.6	0	0	0	112.5	P386 M387 K416 A417 Y418 V422 Y424 L427 L432 Y439 I499 F597	P386-F420 HydrophobicContact CB-CB 4.14Å; P386-F420 HydrophobicContact CB-CD1 3.81Å; P386-F420 HydrophobicContact CB-CE1 4.49Å; P386-F420 HydrophobicContact CB-CG 4.04Å; M387-F420 HydrophobicContact CE-CD1 4.19Å; M387-F420 HydrophobicContact CE-CE1 3.47Å; M387-F420 VanDerWaalsContact CE-CE1 3.47Å; M387-F420 HydrophobicContact CE-CZ 3.87Å; K416-F420 PolarHBondContact O-N 3.29Å; A417-F420 WeakPolarHBondContact O-CB 3.33Å; A417-F420 PolarHBondContact O-N 3.12Å; Y418-F420 VanDerWaalsContact C-N 3.31Å; Y418-F420 PolarHBondContact O-N 3.09Å; F420-V422 VanDerWaalsContact C-N 3.34Å; F420-V422 PolarHBondContact O-N 2.62Å; F420-Y424 HydrophobicContact CD2-CD2 4.22Å; F420-Y424 AromaticContact CE2-CD2 3.62Å; F420-Y424 HydrophobicContact CE2-CD2 3.62Å; F420-Y424 HydrophobicContact CE2-CE2 4.06Å; F420-Y424 HydrophobicContact CZ-CD2 4.21Å; F420-Y424 WeakPolarHBondContact O-CB 3.4Å; F420-Y424 PolarHBondContact O-N 3.34Å; F420-L427 HydrophobicContact CD2-CD1 4.19Å; F420-L432 HydrophobicContact CD2-CD2 4.1Å; F420-L432 HydrophobicContact CE2-CD2 4.02Å; F420-Y439 HydrophobicContact CB-CD1 4.37Å; F420-Y439 HydrophobicContact CB-CE1 3.9Å; F420-Y439 AromaticContact CD2-CD1 3.46Å; F420-Y439 HydrophobicContact CD2-CD1 3.46Å; F420-Y439 VanDerWaalsContact CD2-CD1 3.46Å; F420-Y439 AromaticContact CD2-CE1 3.69Å; F420-Y439 HydrophobicContact CD2-CE1 3.69Å; F420-Y439 HydrophobicContact CD2-CG 4.44Å; F420-Y439 AromaticContact CE2-CD1 3.8Å; F420-Y439 HydrophobicContact CE2-CD1 3.8Å; F420-Y439 HydrophobicContact CE2-CE1 4.47Å; F420-Y439 HydrophobicContact CE2-CG 4.47Å; F420-Y439 AromaticContact CG-CD1 3.87Å; F420-Y439 HydrophobicContact CG-CD1 3.87Å; F420-Y439 AromaticContact CG-CE1 3.91Å; F420-Y439 HydrophobicContact CG-CE1 3.91Å; F420-Y439 HydrophobicContact CZ-CD1 4.47Å; F420-I499 HydrophobicContact CE1-CD1 3.8Å; F420-I499 HydrophobicContact CE1-CG1 4.2Å; F420-I499 HydrophobicContact CZ-CD1 3.8Å; F420-F597 HydrophobicContact CE1-CE2 4.47Å; F420-F597 HydrophobicContact CE2-CD2 4.45Å; F420-F597 AromaticContact CZ-CD2 3.85Å; F420-F597 HydrophobicContact CZ-CD2 3.85Å; F420-F597 HydrophobicContact CZ-CE1 4.5Å; F420-F597 AromaticContact CZ-CE2 3.77Å; F420-F597 HydrophobicContact CZ-CE2 3.77Å; F420-F597 HydrophobicContact CZ-CG 4.26Å; F420-F597 HydrophobicContact CZ-CZ 4.12Å
421	I	78.4	Confident	78	Confident	26 Å²	26	62 Å²	62	13%	0.133	33%	0.331	C	S	.	.	H	α-helix	trans	-60.7	-43.6	-178.3	-67.7	165.5	0	0	0	111.1	A390 L393 A417 Y418 G498	A390-I421 HydrophobicContact CB-CD1 4.18Å; L393-I421 HydrophobicContact CD1-CD1 3.95Å; A417-I421 VanDerWaalsContact O-CG1 3.27Å; A417-I421 WeakPolarHBondContact O-CG1 3.42Å; A417-I421 PolarHBondContact O-N 3.41Å; Y418-I421 PolarHBondContact O-N 3.17Å; I421-G498 WeakPolarHBondContact CG2-O 3.27Å
422	V	78.3	Confident	76.6	Confident	95 Å²	95	58.9 Å²	58.9	58%	0.576	32%	0.316	S	S	*	.	H	α-helix	trans	-86.2	-44.3	-174.3	178.4	0	0	0	0	112.9	Y418 F420	Y418-V422 WeakPolarHBondContact O-CB 3.27Å; Y418-V422 WeakPolarHBondContact O-CG2 3.42Å; Y418-V422 PolarHBondContact O-N 2.94Å; F420-V422 VanDerWaalsContact C-N 3.34Å; F420-V422 PolarHBondContact O-N 2.62Å
423	L	70.4	Confident	75	Confident	83 Å²	83	58.7 Å²	58.7	44%	0.435	32%	0.315	S	S	.	.	H	α-helix	trans	-102.3	8.9	-166.5	-61	175.3	0	0	0	114.1	Q419 S425 T426 L427	Q419-L423 WeakPolarHBondContact O-CA 3.39Å; Q419-L423 VanDerWaalsContact O-CB 3.24Å; Q419-L423 WeakPolarHBondContact O-CB 3.42Å; Q419-L423 PolarHBondContact O-N 3.26Å; L423-S425 PolarHBondContact O-N 3.42Å; L423-T426 WeakPolarHBondContact O-CA 3.07Å; L423-T426 PolarHBondContact O-N 3.02Å; L423-T426 PolarHBondContact O-OG1 2.99Å; L423-L427 PolarHBondContact O-N 2.87Å
424	Y	69.8	Low	73.3	Confident	10 Å²	10	65.5 Å²	65.5	4%	0.039	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-46.9	-43.9	-177.8	179.4	-102.6	0	0	0	114.5	F420 T426 L427 L432 I499 A501 N545 F597	F420-Y424 HydrophobicContact CD2-CD2 4.22Å; F420-Y424 AromaticContact CE2-CD2 3.62Å; F420-Y424 HydrophobicContact CE2-CD2 3.62Å; F420-Y424 HydrophobicContact CE2-CE2 4.06Å; F420-Y424 HydrophobicContact CZ-CD2 4.21Å; F420-Y424 WeakPolarHBondContact O-CB 3.4Å; F420-Y424 PolarHBondContact O-N 3.34Å; Y424-T426 PolarHBondContact O-N 3.45Å; Y424-L427 PolarHBondContact O-N 2.98Å; Y424-L432 HydrophobicContact CD2-CD1 4.45Å; Y424-L432 HydrophobicContact CE2-CD1 3.81Å; Y424-I499 HydrophobicContact CD1-CG2 3.34Å; Y424-I499 HydrophobicContact CD2-CG2 4.2Å; Y424-I499 HydrophobicContact CE1-CG2 4.2Å; Y424-I499 HydrophobicContact CG-CG2 3.34Å; Y424-A501 HydrophobicContact CD1-CB 3.89Å; Y424-A501 HydrophobicContact CE1-CB 4.08Å; Y424-N545 PolarHBondContact OH-O 2.9Å; Y424-F597 HydrophobicContact CE1-CD1 4.42Å; Y424-F597 HydrophobicContact CE2-CB 3.66Å; Y424-F597 AromaticContact CE2-CD1 3.74Å; Y424-F597 HydrophobicContact CE2-CD1 3.74Å; Y424-F597 AromaticContact CE2-CG 3.84Å; Y424-F597 HydrophobicContact CE2-CG 3.84Å; Y424-F597 AromaticContact CZ-CD1 3.65Å; Y424-F597 WeakPolarHBondContact OH-CA 2.99Å; Y424-F597 WeakPolarHBondContact OH-CB 3.1Å
425	S	62.5	Low	71.5	Confident	75 Å²	75	68.8 Å²	68.8	52%	0.524	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-61.4	-17.9	-178.7	67.7	0	0	0	0	114.3	L423	L423-S425 PolarHBondContact O-N 3.42Å
426	T	65.1	Low	70.4	Confident	95 Å²	95	70.6 Å²	70.6	58%	0.583	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-104.8	-13.6	178.9	62.7	0	0	0	0	113.4	L423 Y424 T428	L423-T426 WeakPolarHBondContact O-CA 3.07Å; L423-T426 PolarHBondContact O-N 3.02Å; L423-T426 PolarHBondContact O-OG1 2.99Å; Y424-T426 PolarHBondContact O-N 3.45Å; T426-T428 PolarHBondContact O-N 3.14Å
427	L	67.8	Low	69.5	Low	48 Å²	48	70.1 Å²	70.1	25%	0.251	38%	0.376	S	S	.	.			trans	-73	127.8	176.1	-69.6	173.6	0	0	0	109.4	F420 L423 Y424 L432	F420-L427 HydrophobicContact CD2-CD1 4.19Å; L423-L427 PolarHBondContact O-N 2.87Å; Y424-L427 PolarHBondContact O-N 2.98Å; L427-L432 HydrophobicContact CB-CG 4.4Å; L427-L432 HydrophobicContact CD1-CD2 4.17Å
428	T	62.7	Low	69.1	Low	68 Å²	68	71.8 Å²	71.8	42%	0.417	39%	0.385	S	S	.	.			trans	-79.2	148.8	176	56.7	0	0	0	0	110.5	T426 S430 Q431 L432	T426-T428 PolarHBondContact O-N 3.14Å; T428-S430 PolarHBondContact O-N 3.13Å; T428-S430 VanDerWaalsContact O-N 3.13Å; T428-S430 PolarHBondContact OG1-OG 3.18Å; T428-Q431 WeakPolarHBondContact O-CB 3.27Å; T428-Q431 PolarHBondContact O-N 3.38Å; T428-Q431 VanDerWaalsContact OG1-CD 3.29Å; T428-Q431 WeakPolarHBondContact OG1-CG 3.44Å; T428-Q431 PolarHBondContact OG1-OE1 3.36Å; T428-L432 PolarHBondContact O-N 2.78Å
429	K	63.9	Low	68.8	Low	109 Å²	109	68.9 Å²	68.9	47%	0.474	37%	0.373	S	S	.	.	H	α-helix	trans	-50.6	-38.1	174.5	-175.8	-180	-177.8	173.4	0	112.6	Q431 L432 D433 V598	K429-Q431 VanDerWaalsContact C-N 3.33Å; K429-Q431 PolarHBondContact O-N 2.03Å; K429-L432 PolarHBondContact O-N 3.02Å; K429-D433 VanDerWaalsContact CE-OD2 3.3Å; K429-D433 WeakPolarHBondContact CE-OD2 3.46Å; K429-D433 WeakPolarHBondContact CG-OD2 3.27Å; K429-D433 WeakPolarHBondContact O-CB 3.37Å; K429-D433 PolarHBondContact O-N 3.48Å; K429-V598 WeakPolarHBondContact CD-OXT 3.45Å
430	S	61	Low	68.7	Low	65 Å²	65	69.9 Å²	69.9	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-65.4	-33	177.3	60.2	0	0	0	0	113.4	T428 Q434	T428-S430 PolarHBondContact O-N 3.13Å; T428-S430 VanDerWaalsContact O-N 3.13Å; T428-S430 PolarHBondContact OG1-OG 3.18Å; S430-Q434 WeakPolarHBondContact O-CB 3.48Å; S430-Q434 WeakPolarHBondContact O-CG 3.46Å; S430-Q434 PolarHBondContact O-N 3.18Å
431	Q	65.9	Low	68.9	Low	85 Å²	85	70 Å²	70	40%	0.397	38%	0.377	S	S	.	.	H	α-helix	trans	-70.6	-38.5	174.8	-73.1	165.6	-44.7	0	0	111.3	T428 K429 E435	T428-Q431 WeakPolarHBondContact O-CB 3.27Å; T428-Q431 PolarHBondContact O-N 3.38Å; T428-Q431 VanDerWaalsContact OG1-CD 3.29Å; T428-Q431 WeakPolarHBondContact OG1-CG 3.44Å; T428-Q431 PolarHBondContact OG1-OE1 3.36Å; K429-Q431 VanDerWaalsContact C-N 3.33Å; K429-Q431 PolarHBondContact O-N 2.03Å; Q431-E435 WeakPolarHBondContact O-CB 3.14Å; Q431-E435 PolarHBondContact O-N 3.02Å
432	L	65.1	Low	69.6	Low	17 Å²	17	68.8 Å²	68.8	9%	0.089	37%	0.371	C	S	.	.	H	α-helix	trans	-70.3	-36.9	175.8	-66.4	169.7	0	0	0	112.5	F420 Y424 L427 T428 K429 Y439	F420-L432 HydrophobicContact CD2-CD2 4.1Å; F420-L432 HydrophobicContact CE2-CD2 4.02Å; Y424-L432 HydrophobicContact CD2-CD1 4.45Å; Y424-L432 HydrophobicContact CE2-CD1 3.81Å; L427-L432 HydrophobicContact CB-CG 4.4Å; L427-L432 HydrophobicContact CD1-CD2 4.17Å; T428-L432 PolarHBondContact O-N 2.78Å; K429-L432 PolarHBondContact O-N 3.02Å; L432-Y439 HydrophobicContact CD2-CD1 4.11Å; L432-Y439 HydrophobicContact CD2-CD2 3.9Å; L432-Y439 HydrophobicContact CD2-CE1 4.43Å; L432-Y439 HydrophobicContact CD2-CE2 4.21Å; L432-Y439 HydrophobicContact CD2-CG 3.82Å
433	D	58.6	Low	70.3	Confident	103 Å²	103	64.4 Å²	64.4	55%	0.551	35%	0.345	S	S	*	.	H	α-helix	trans	-77.6	-29.1	178.2	-76.6	-24.2	0	0	0	112.6	K429	K429-D433 VanDerWaalsContact CE-OD2 3.3Å; K429-D433 WeakPolarHBondContact CE-OD2 3.46Å; K429-D433 WeakPolarHBondContact CG-OD2 3.27Å; K429-D433 WeakPolarHBondContact O-CB 3.37Å; K429-D433 PolarHBondContact O-N 3.48Å
434	Q	57.3	Low	71.3	Confident	159 Å²	159	60.8 Å²	60.8	74%	0.743	33%	0.325	S	S	*	.	H	α-helix	trans	-76.7	-24.2	178.5	-80.8	174.8	-9.3	0	0	113.7	S430 N436	S430-Q434 WeakPolarHBondContact O-CB 3.48Å; S430-Q434 WeakPolarHBondContact O-CG 3.46Å; S430-Q434 PolarHBondContact O-N 3.18Å; Q434-N436 PolarHBondContact O-N 2.99Å
435	E	56.3	Low	72.4	Confident	91 Å²	91	62 Å²	62	43%	0.425	33%	0.333	S	S	.	.	S	Bend	trans	-101.5	38.7	-169.6	-82.1	-168.2	-174	0	0	115.2	K416 Q431 Y439	K416-E435 VanDerWaalsContact CE-OE2 3.26Å; K416-E435 WeakPolarHBondContact CE-OE2 3.36Å; K416-E435 IonicContact NZ-OE2 3.78Å; Q431-E435 WeakPolarHBondContact O-CB 3.14Å; Q431-E435 PolarHBondContact O-N 3.02Å; E435-Y439 HydrophobicContact CB-CD2 4.42Å; E435-Y439 HydrophobicContact CB-CE2 3.63Å; E435-Y439 WeakPolarHBondContact OE2-CE2 3.4Å; E435-Y439 PolarHBondContact OE2-OH 3.23Å
436	N	65.4	Low	73.5	Confident	134 Å²	134	59.1 Å²	59.1	72%	0.717	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	65.1	174.4	171	-95.5	-12	0	0	0	115.3	Q434 D438	Q434-N436 PolarHBondContact O-N 2.99Å; N436-D438 PolarHBondContact O-N 3.31Å
437	G	69.9	Low	74.2	Confident	30 Å²	30	63.4 Å²	63.4	31%	0.309	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-60.7	5.1	-176.1	0	0	0	0	0	116.5	R384 Y439 K440	R384-G437 VanDerWaalsContact CD-O 3.28Å; R384-G437 WeakPolarHBondContact CD-O 3.35Å; R384-G437 PolarHBondContact NE-O 2.73Å; R384-G437 VanDerWaalsContact NE-O 3.13Å; G437-Y439 VanDerWaalsContact C-N 3.29Å; G437-Y439 PolarHBondContact O-N 3.09Å; G437-K440 PolarHBondContact O-N 3.46Å; G437-K440 VanDerWaalsContact O-N 3.13Å
438	D	80.5	Confident	74.6	Confident	35 Å²	35	64 Å²	64	19%	0.187	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-64.1	-30.8	-174.7	-61.7	-2.8	0	0	0	113.2	R384 K416 N436	R384-D438 WeakPolarHBondContact CB-O 3.29Å; K416-D438 IonicContact NZ-OD2 2.75Å; K416-D438 PolarHBondContact NZ-OD2 3.04Å; N436-D438 PolarHBondContact O-N 3.31Å
439	Y	80.8	Confident	75.5	Confident	17 Å²	17	62.7 Å²	62.7	7%	0.067	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-92.3	0.4	178.8	-55.3	-67.6	0	0	0	113.4	P386 K416 F420 L432 E435 G437	P386-Y439 HydrophobicContact CB-CD1 3.77Å; P386-Y439 HydrophobicContact CB-CE1 3.87Å; P386-Y439 HydrophobicContact CG-CD1 3.9Å; P386-Y439 HydrophobicContact CG-CE1 3.63Å; K416-Y439 VanDerWaalsContact CE-CZ 3.45Å; K416-Y439 WeakPolarHBondContact CE-OH 3.43Å; F420-Y439 HydrophobicContact CB-CD1 4.37Å; F420-Y439 HydrophobicContact CB-CE1 3.9Å; F420-Y439 AromaticContact CD2-CD1 3.46Å; F420-Y439 HydrophobicContact CD2-CD1 3.46Å; F420-Y439 VanDerWaalsContact CD2-CD1 3.46Å; F420-Y439 AromaticContact CD2-CE1 3.69Å; F420-Y439 HydrophobicContact CD2-CE1 3.69Å; F420-Y439 HydrophobicContact CD2-CG 4.44Å; F420-Y439 AromaticContact CE2-CD1 3.8Å; F420-Y439 HydrophobicContact CE2-CD1 3.8Å; F420-Y439 HydrophobicContact CE2-CE1 4.47Å; F420-Y439 HydrophobicContact CE2-CG 4.47Å; F420-Y439 AromaticContact CG-CD1 3.87Å; F420-Y439 HydrophobicContact CG-CD1 3.87Å; F420-Y439 AromaticContact CG-CE1 3.91Å; F420-Y439 HydrophobicContact CG-CE1 3.91Å; F420-Y439 HydrophobicContact CZ-CD1 4.47Å; L432-Y439 HydrophobicContact CD2-CD1 4.11Å; L432-Y439 HydrophobicContact CD2-CD2 3.9Å; L432-Y439 HydrophobicContact CD2-CE1 4.43Å; L432-Y439 HydrophobicContact CD2-CE2 4.21Å; L432-Y439 HydrophobicContact CD2-CG 3.82Å; E435-Y439 HydrophobicContact CB-CD2 4.42Å; E435-Y439 HydrophobicContact CB-CE2 3.63Å; E435-Y439 WeakPolarHBondContact OE2-CE2 3.4Å; E435-Y439 PolarHBondContact OE2-OH 3.23Å; G437-Y439 VanDerWaalsContact C-N 3.29Å; G437-Y439 PolarHBondContact O-N 3.09Å
440	K	81.9	Confident	76.7	Confident	120 Å²	120	58 Å²	58	52%	0.522	30%	0.304	S	S	.	.	S	Bend	trans	-94.5	117.4	177.4	-66.2	-177.5	-179.7	177	0	108.4	R384 G437	R384-K440 WeakPolarHBondContact CD-O 3.33Å; R384-K440 PolarHBondContact NH1-O 3.37Å; G437-K440 PolarHBondContact O-N 3.46Å; G437-K440 VanDerWaalsContact O-N 3.13Å
441	P	85.9	Confident	78.1	Confident	4 Å²	4	56.1 Å²	56.1	3%	0.026	29%	0.289	C	S	.	.			trans	-63.2	149.4	174.4	25.7	-33.5	0	0	0	110.7	M387 Y444 R594 P595	M387-P441 HydrophobicContact SD-CB 3.93Å; M387-P441 HydrophobicContact SD-CG 4.49Å; P441-Y444 HydrophobicContact CB-CD2 4.16Å; P441-Y444 HydrophobicContact CB-CE2 3.56Å; P441-R594 HydrophobicContact CB-CG 4.4Å; P441-R594 HydrophobicContact CG-CG 3.75Å; P441-R594 PolarHBondContact O-NE 3.12Å; P441-R594 PolarHBondContact O-NH2 2.87Å; P441-P595 WeakPolarHBondContact CD-O 3.42Å; P441-P595 HydrophobicContact CG-CG 4.15Å; P441-P595 WeakPolarHBondContact CG-O 3.48Å
442	R	91.8	Very high	79.1	Confident	1 Å²	1	54.6 Å²	54.6	0%	0.004	29%	0.291	C	S	.	.			trans	-76.7	-167.3	166.3	-59.6	177	-173.1	-87.5	1.1	109.7	L343 R345 S346 L348 E353 L382 Y444	L343-R442 PolarHBondContact O-NH1 2.99Å; L343-R442 PolarHBondContact O-NH2 2.99Å; R345-R442 PolarHBondContact O-NH1 3.35Å; S346-R442 WeakPolarHBondContact O-CA 3.49Å; L348-R442 WeakPolarHBondContact O-CB 3.23Å; E353-R442 IonicContact OE1-CZ 3.16Å; E353-R442 IonicContact OE1-NE 2.91Å; E353-R442 PolarHBondContact OE1-NE 2.87Å; E353-R442 IonicContact OE1-NH2 2.69Å; E353-R442 WeakPolarHBondContact OE2-CD 3.36Å; E353-R442 IonicContact OE2-NE 3.21Å; E353-R442 PolarHBondContact OE2-NE 3.47Å; E353-R442 VanDerWaalsContact OE2-NE 3.15Å; L382-R442 PolarHBondContact O-NH2 3.3Å; R442-Y444 HydrophobicContact CB-CD1 4.29Å; R442-Y444 HydrophobicContact CB-CE1 3.71Å; R442-Y444 HydrophobicContact CG-CE1 4.38Å; R442-Y444 PolarHBondContact N-OH 3.36Å; R442-Y444 PolarHBondContact O-N 3.33Å
443	I	93.8	Very high	80.1	Confident	4 Å²	4	54 Å²	54	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	98	172.7	-60.2	177.9	0	0	0	107.7	D347 L348 V349 V350 R551 L553 I564 A592	D347-I443 HydrophobicContact CB-CD1 3.98Å; L348-I443 PolarHBondContact O-N 3.04Å; L348-I443 VanDerWaalsContact O-N 3.09Å; V349-I443 WeakPolarHBondContact CA-O 3.33Å; V349-I443 HydrophobicContact CG1-CG2 4.37Å; V349-I443 HydrophobicContact CG2-CB 4.05Å; V349-I443 HydrophobicContact CG2-CD1 4.23Å; V349-I443 HydrophobicContact CG2-CG2 4.06Å; V350-I443 PolarHBondContact N-O 3.42Å; V350-I443 VanDerWaalsContact N-O 3.09Å; I443-R551 HydrophobicContact CD1-CG 4.1Å; I443-R551 HydrophobicContact CG1-CG 4.32Å; I443-L553 HydrophobicContact CG2-CD1 3.81Å; I443-L553 HydrophobicContact CG2-CD2 3.91Å; I443-L553 HydrophobicContact CG2-CG 4.36Å; I443-I564 HydrophobicContact CD1-CD1 3.8Å; I443-I564 HydrophobicContact CD1-CG2 4.06Å; I443-A592 HydrophobicContact CG2-CB 4.05Å
444	Y	92.3	Very high	81.2	Confident	7 Å²	7	51 Å²	51	3%	0.027	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	125.5	-178	-59.8	-42.6	0	0	0	112.3	V350 E353 M387 P441 R442 W449	V350-Y444 HydrophobicContact CG2-CD1 3.86Å; V350-Y444 HydrophobicContact CG2-CE1 3.92Å; V350-Y444 CarbonylContact O-C 3.55Å; V350-Y444 WeakPolarHBondContact O-CA 3.4Å; E353-Y444 HydrophobicContact CB-CE1 4.29Å; E353-Y444 WeakPolarHBondContact OE2-CE1 3.35Å; E353-Y444 PolarHBondContact OE2-OH 3.07Å; M387-Y444 HydrophobicContact CB-CE2 4.35Å; M387-Y444 VanDerWaalsContact CB-OH 3.31Å; M387-Y444 WeakPolarHBondContact CB-OH 3.37Å; P441-Y444 HydrophobicContact CB-CD2 4.16Å; P441-Y444 HydrophobicContact CB-CE2 3.56Å; R442-Y444 HydrophobicContact CB-CD1 4.29Å; R442-Y444 HydrophobicContact CB-CE1 3.71Å; R442-Y444 HydrophobicContact CG-CE1 4.38Å; R442-Y444 PolarHBondContact N-OH 3.36Å; R442-Y444 PolarHBondContact O-N 3.33Å; Y444-W449 HydrophobicContact CD2-CD2 4.34Å; Y444-W449 HydrophobicContact CD2-CG 4.33Å; Y444-W449 HydrophobicContact CG-CG 4.49Å
445	T	91.9	Very high	82	Confident	34 Å²	34	43.7 Å²	43.7	21%	0.209	24%	0.238	C	C	.	.			trans	-108	4.3	-178.4	56.6	0	0	0	0	113.7	V349 V350 S450 L553	V349-T445 HydrophobicContact CG1-CG2 3.46Å; V349-T445 VanDerWaalsContact CG1-CG2 3.46Å; V350-T445 PolarHBondContact O-N 2.87Å; V350-T445 PolarHBondContact O-OG1 3.09Å; T445-S450 WeakPolarHBondContact CA-OG 3.45Å; T445-S450 PolarHBondContact O-OG 3.13Å; T445-L553 HydrophobicContact CG2-CD2 3.81Å
446	G	86.1	Confident	82.5	Confident	15 Å²	15	42.5 Å²	42.5	16%	0.155	24%	0.24	C	C	.	.	S	Bend	trans	-60.5	155.9	170.6	0	0	0	0	0	111.9	P351 T448 W449 S450	P351-G446 WeakPolarHBondContact O-CA 3.36Å; P351-G446 PolarHBondContact O-N 3.39Å; G446-T448 PolarHBondContact O-N 3.46Å; G446-W449 PolarHBondContact O-N 3.31Å; G446-S450 PolarHBondContact O-N 2.84Å; G446-S450 PolarHBondContact O-OG 3.18Å; G446-S450 VanDerWaalsContact O-OG 3.1Å
447	E	80.1	Confident	82.5	Confident	185 Å²	185	43.7 Å²	43.7	86%	0.864	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-21	-178.9	-61.3	-176.3	166.9	0	0	113.4
448	T	75.5	Confident	82.1	Confident	60 Å²	60	44 Å²	44	37%	0.368	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-23.5	179.2	48.4	0	0	0	0	114	G446 T494 S495	G446-T448 PolarHBondContact O-N 3.46Å; T448-T494 VanDerWaalsContact O-CA 3.3Å; T448-T494 WeakPolarHBondContact O-CA 3.23Å; T448-S495 PolarHBondContact O-N 3.41Å; T448-S495 VanDerWaalsContact O-N 3.16Å
449	W	82.4	Confident	80.8	Confident	41 Å²	41	45 Å²	45	16%	0.155	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-11.7	-173.2	-65.2	104.8	0	0	0	113	Y444 G446 H497 V593 P595	Y444-W449 HydrophobicContact CD2-CD2 4.34Å; Y444-W449 HydrophobicContact CD2-CG 4.33Å; Y444-W449 HydrophobicContact CG-CG 4.49Å; G446-W449 PolarHBondContact O-N 3.31Å; W449-H497 AromaticContact CH2-CE1 3.36Å; W449-H497 WeakPolarHBondContact CH2-CE1 3.14Å; W449-H497 AromaticContact CH2-ND1 3.89Å; W449-H497 AromaticContact CZ3-CE1 3.37Å; W449-H497 WeakPolarHBondContact CZ3-CE1 3.35Å; W449-H497 AromaticContact CZ3-NE2 3.85Å; W449-V593 PolarHBondContact O-N 2.93Å; W449-P595 HydrophobicContact CH2-CG 4.33Å; W449-P595 HydrophobicContact CZ3-CG 3.88Å
450	S	89.1	Confident	79.2	Confident	12 Å²	12	48.8 Å²	48.8	8%	0.084	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	160.7	-173.3	74.9	0	0	0	0	114	T445 G446 F591	T445-S450 WeakPolarHBondContact CA-OG 3.45Å; T445-S450 PolarHBondContact O-OG 3.13Å; G446-S450 PolarHBondContact O-N 2.84Å; G446-S450 PolarHBondContact O-OG 3.18Å; G446-S450 VanDerWaalsContact O-OG 3.1Å; S450-F591 CarbonylContact C-O 3.6Å; S450-F591 WeakPolarHBondContact CA-O 3.33Å; S450-F591 VanDerWaalsContact CB-O 3.23Å; S450-F591 WeakPolarHBondContact CB-O 3.28Å
451	T	88.8	Confident	77.1	Confident	25 Å²	25	46.7 Å²	46.7	15%	0.153	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	150.9	167.9	-164.5	0	0	0	0	109.6	F492 A511 T590 F591	T451-F492 HydrophobicContact CG2-CD1 3.32Å; T451-F492 HydrophobicContact CG2-CD2 4.36Å; T451-F492 HydrophobicContact CG2-CE1 3.34Å; T451-F492 HydrophobicContact CG2-CE2 4.38Å; T451-F492 HydrophobicContact CG2-CG 3.86Å; T451-F492 HydrophobicContact CG2-CZ 3.9Å; T451-A511 HydrophobicContact CG2-CB 4.03Å; T451-T590 CarbonylContact O-C 3.58Å; T451-T590 WeakPolarHBondContact O-CA 2.99Å; T451-F591 HydrophobicContact CG2-CB 4.15Å; T451-F591 HydrophobicContact CG2-CD2 4.44Å; T451-F591 PolarHBondContact N-O 3.07Å; T451-F591 PolarHBondContact O-N 3.09Å
452	A	88.1	Confident	75	Confident	53 Å²	53	50 Å²	50	44%	0.438	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136	-179.4	0	0	0	0	0	111.4	I588 Y589	A452-I588 HydrophobicContact CB-CG2 4Å; A452-Y589 CarbonylContact C-O 3.52Å; A452-Y589 WeakPolarHBondContact CA-O 3.05Å
453	I	85.9	Confident	72.6	Confident	5 Å²	5	58.9 Å²	58.9	3%	0.026	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.8	174.6	-55.9	-174	0	0	0	108.4	S455 L458 I490 A511 V513 Y589 F591	I453-S455 PolarHBondContact O-N 2.88Å; I453-L458 HydrophobicContact CG2-CD1 3.96Å; I453-L458 HydrophobicContact CG2-CD2 4.42Å; I453-L458 HydrophobicContact CG2-CG 4.4Å; I453-I490 HydrophobicContact CD1-CB 4.18Å; I453-I490 HydrophobicContact CD1-CD1 4.24Å; I453-I490 HydrophobicContact CD1-CG1 3.96Å; I453-I490 HydrophobicContact CG1-CB 4.46Å; I453-I490 HydrophobicContact CG1-CD1 3.77Å; I453-I490 HydrophobicContact CG1-CG1 4.07Å; I453-A511 HydrophobicContact CD1-CB 4.11Å; I453-A511 WeakPolarHBondContact CD1-O 3.44Å; I453-V513 HydrophobicContact CB-CG2 4.19Å; I453-V513 HydrophobicContact CD1-CG2 4.26Å; I453-V513 HydrophobicContact CG2-CG2 4.2Å; I453-Y589 PolarHBondContact N-O 3.37Å; I453-Y589 PolarHBondContact O-N 3.38Å; I453-F591 HydrophobicContact CB-CE2 4.32Å; I453-F591 HydrophobicContact CD1-CD2 4.36Å; I453-F591 HydrophobicContact CD1-CE2 3.71Å; I453-F591 HydrophobicContact CD1-CZ 4.33Å; I453-F591 HydrophobicContact CG1-CD2 4.33Å; I453-F591 HydrophobicContact CG1-CE2 3.92Å
454	D	82.4	Confident	69.8	Low	40 Å²	40	67.6 Å²	67.6	21%	0.214	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	110.7	174.4	-179.4	-7.5	0	0	0	109.7	S456 K457 I588	D454-S456 VanDerWaalsContact C-N 3.27Å; D454-S456 VanDerWaalsContact CG-OG 3.28Å; D454-S456 PolarHBondContact O-N 3.42Å; D454-S456 WeakPolarHBondContact OD1-CB 3.22Å; D454-S456 PolarHBondContact OD1-N 2.8Å; D454-S456 PolarHBondContact OD1-OG 3.34Å; D454-S456 PolarHBondContact OD2-OG 2.56Å; D454-K457 HydrophobicContact CB-CD 4.16Å; D454-K457 HydrophobicContact CB-CG 4.45Å; D454-K457 PolarHBondContact O-N 3Å; D454-K457 WeakPolarHBondContact OD2-CD 3.32Å; D454-K457 WeakPolarHBondContact OD2-CE 3.43Å; D454-K457 IonicContact OD2-NZ 3.77Å; D454-K457 PolarHBondContact OD2-NZ 3.26Å; D454-I588 HydrophobicContact CB-CG1 4.43Å
455	S	72.5	Confident	67.5	Low	4 Å²	4	74.1 Å²	74.1	3%	0.028	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-69.1	-25.1	-175.3	72.2	0	0	0	0	113.1	I453 K457 L458 K515 Y587	I453-S455 PolarHBondContact O-N 2.88Å; S455-K457 PolarHBondContact O-N 3.33Å; S455-L458 WeakPolarHBondContact O-CB 3.29Å; S455-L458 PolarHBondContact O-N 2.97Å; S455-L458 VanDerWaalsContact O-N 3.15Å; S455-K515 WeakPolarHBondContact O-CE 3.06Å; S455-K515 PolarHBondContact O-NZ 2.87Å; S455-Y587 VanDerWaalsContact CB-O 3.31Å; S455-Y587 WeakPolarHBondContact CB-O 3.28Å; S455-Y587 PolarHBondContact N-O 3.39Å; S455-Y587 PolarHBondContact OG-O 3.06Å
456	S	67.6	Low	64.7	Low	67 Å²	67	80.6 Å²	80.6	47%	0.469	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-64.6	-26.5	178.2	71.2	0	0	0	0	112.6	D454	D454-S456 VanDerWaalsContact C-N 3.27Å; D454-S456 VanDerWaalsContact CG-OG 3.28Å; D454-S456 PolarHBondContact O-N 3.42Å; D454-S456 WeakPolarHBondContact OD1-CB 3.22Å; D454-S456 PolarHBondContact OD1-N 2.8Å; D454-S456 PolarHBondContact OD1-OG 3.34Å; D454-S456 PolarHBondContact OD2-OG 2.56Å
457	K	64.8	Low	62.5	Low	159 Å²	159	90.5 Å²	90.5	69%	0.691	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-85.9	-9.7	179.1	-65.9	176.1	-177.2	131.7	0	113.5	D454 S455 S459	D454-K457 HydrophobicContact CB-CD 4.16Å; D454-K457 HydrophobicContact CB-CG 4.45Å; D454-K457 PolarHBondContact O-N 3Å; D454-K457 WeakPolarHBondContact OD2-CD 3.32Å; D454-K457 WeakPolarHBondContact OD2-CE 3.43Å; D454-K457 IonicContact OD2-NZ 3.77Å; D454-K457 PolarHBondContact OD2-NZ 3.26Å; S455-K457 PolarHBondContact O-N 3.33Å; K457-S459 PolarHBondContact O-N 3Å; K457-S459 VanDerWaalsContact O-N 3.16Å
458	L	62.7	Low	60.6	Low	37 Å²	37	88.1 Å²	88.1	19%	0.194	44%	0.44	C	S	.	.			trans	-78.7	97.9	175.9	-64.3	170.3	0	0	0	109.3	I453 S455 S460 V513	I453-L458 HydrophobicContact CG2-CD1 3.96Å; I453-L458 HydrophobicContact CG2-CD2 4.42Å; I453-L458 HydrophobicContact CG2-CG 4.4Å; S455-L458 WeakPolarHBondContact O-CB 3.29Å; S455-L458 PolarHBondContact O-N 2.97Å; S455-L458 VanDerWaalsContact O-N 3.15Å; L458-S460 PolarHBondContact O-N 3.03Å; L458-V513 HydrophobicContact CD1-CB 4.22Å
459	S	51.5	Low	58.9	Low	54 Å²	54	90.9 Å²	90.9	38%	0.378	46%	0.461	S	S	.	.			trans	-66.2	123.1	174.4	158.7	0	0	0	0	111.3	K457 S461	K457-S459 PolarHBondContact O-N 3Å; K457-S459 VanDerWaalsContact O-N 3.16Å; S459-S461 VanDerWaalsContact C-N 3.34Å; S459-S461 PolarHBondContact OG-N 3.17Å; S459-S461 PolarHBondContact OG-O 2.84Å
460	S	47.3	Very low	56.8	Low	97 Å²	97	97.5 Å²	97.5	68%	0.678	49%	0.494	S	S	*	.			trans	-80.7	-9.2	170.7	48	0	0	0	0	114	L458	L458-S460 PolarHBondContact O-N 3.03Å
461	S	39	Very low	54.7	Low	76 Å²	76	108.3 Å²	108.3	53%	0.531	53%	0.533	S	S	.	.	S	Bend	trans	-98.1	132.6	-172	-63.5	0	0	0	0	113.5	S459 R463	S459-S461 VanDerWaalsContact C-N 3.34Å; S459-S461 PolarHBondContact OG-N 3.17Å; S459-S461 PolarHBondContact OG-O 2.84Å; S461-R463 PolarHBondContact O-N 2.98Å
462	P	42	Very low	52.3	Low	73 Å²	73	117.5 Å²	117.5	47%	0.474	57%	0.566	S	S	.	*			trans	-67.7	119	171	24.9	-29.4	0	0	0	110.4	R464	P462-R464 PolarHBondContact O-N 2.65Å
463	R	39.8	Very low	50.3	Low	188 Å²	188	118.3 Å²	118.3	71%	0.709	58%	0.58	S	S	*	*			trans	-74.8	115.9	172.3	-76.5	-172	176.7	-172.6	0.5	109.8	S461	S461-R463 PolarHBondContact O-N 2.98Å
464	R	36.4	Very low	48.3	Very low	188 Å²	188	129.5 Å²	129.5	71%	0.709	62%	0.623	S	S	*	*			trans	-80.1	113.1	167.9	-71.3	-177.5	177.5	178.1	0.5	109.2	P462	P462-R464 PolarHBondContact O-N 2.65Å
465	H	43.4	Very low	46.2	Very low	143 Å²	143	130.6 Å²	130.6	66%	0.662	64%	0.644	S	S	*	*			trans	-106.1	143.6	169.7	-83.7	-57.8	0	0	0	111.7
466	Y	34.2	Very low	44.4	Very low	171 Å²	171	136 Å²	136	67%	0.671	68%	0.682	S	S	*	*			trans	-102.5	118.9	-177.2	-166.4	-89.1	0	0	0	109.1	N468	Y466-N468 WeakPolarHBondContact CE1-OD1 3.03Å
467	Y	38.7	Very low	43	Very low	222 Å²	222	143 Å²	143	87%	0.871	70%	0.699	S	S	*	*			trans	-121.4	126.1	167.9	-94.4	-82.7	0	0	0	109.8	S469	Y467-S469 PolarHBondContact O-N 3.26Å
468	N	41.3	Very low	41.8	Very low	136 Å²	136	140.3 Å²	140.3	73%	0.727	69%	0.693	S	S	*	*			trans	-75.9	113.7	171.5	-93.9	-18.2	0	0	0	109.4	Y466	Y466-N468 WeakPolarHBondContact CE1-OD1 3.03Å
469	S	38.5	Very low	40.7	Very low	117 Å²	117	147.9 Å²	147.9	82%	0.818	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-87.8	136.2	163.5	63.8	0	0	0	0	110.5	Y467	Y467-S469 PolarHBondContact O-N 3.26Å
470	Q	39.5	Very low	40.1	Very low	181 Å²	181	153.3 Å²	153.3	85%	0.846	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-58.5	149.5	-177	-74.1	176.4	-20.5	0	0	114.2	Y472	Q470-Y472 PolarHBondContact O-N 2.84Å
471	R	44.9	Very low	39.7	Very low	239 Å²	239	156.4 Å²	156.4	90%	0.902	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-55.5	120	175.4	-83	178.2	174	173.6	-2	112.2
472	Y	37.2	Very low	39.6	Very low	218 Å²	218	158.1 Å²	158.1	86%	0.855	73%	0.733	S	S	*	*			trans	-127.4	136.7	138.3	-78.9	-80.6	0	0	0	108.6	Q470	Q470-Y472 PolarHBondContact O-N 2.84Å
473	G	47.1	Very low	39.6	Very low	70 Å²	70	157.9 Å²	157.9	72%	0.722	73%	0.733	S	S	*	*	S	Bend	trans	-57.6	148.2	-170.8	0	0	0	0	0	112.8
474	Y	42.9	Very low	39.6	Very low	239 Å²	239	154.4 Å²	154.4	94%	0.937	74%	0.735	S	S	*	*	S	Bend	trans	88.9	87.1	-170.4	-65.3	-84.9	0	0	0	115.1
475	G	39.3	Very low	40.1	Very low	63 Å²	63	147.4 Å²	147.4	65%	0.649	71%	0.714	S	S	*	*			trans	80.2	105.8	156.7	0	0	0	0	0	116.3	Y477	G475-Y477 PolarHBondContact O-N 2.95Å
476	S	33.6	Very low	40.3	Very low	117 Å²	117	145.1 Å²	145.1	82%	0.818	71%	0.712	S	S	*	*			trans	-80.8	98.4	167.3	-171.4	0	0	0	0	109.4
477	Y	39.5	Very low	41.3	Very low	214 Å²	214	140.6 Å²	140.6	84%	0.839	71%	0.705	S	S	*	*			trans	-93.2	113	165.9	-80	-84.9	0	0	0	109.5	G475 R479	G475-Y477 PolarHBondContact O-N 2.95Å; Y477-R479 PolarHBondContact O-N 3.04Å
478	N	38.9	Very low	42.5	Very low	104 Å²	104	131 Å²	131	56%	0.556	67%	0.671	S	S	*	*			trans	-71.1	106.7	168.2	-75.1	-14.1	0	0	0	108.7
479	R	40.3	Very low	44.2	Very low	196 Å²	196	127.8 Å²	127.8	74%	0.74	65%	0.651	S	S	*	*			trans	-89.3	115.3	165.7	-87.7	-170.2	-176.7	167	3.7	109.7	Y477 Y481	Y477-R479 PolarHBondContact O-N 3.04Å; R479-Y481 HydrophobicContact CB-CD2 4.13Å; R479-Y481 HydrophobicContact CB-CE2 3.76Å; R479-Y481 WeakPolarHBondContact CD-OH 3.32Å; R479-Y481 HydrophobicContact CG-CE2 4.36Å; R479-Y481 PolarHBondContact NH1-OH 3.12Å; R479-Y481 PolarHBondContact O-N 2.81Å
480	Y	38.7	Very low	46.3	Very low	167 Å²	167	125.4 Å²	125.4	66%	0.655	63%	0.629	S	S	*	*			trans	-78.3	110.9	164.3	-61.3	-85	0	0	0	108.1
481	Y	38.4	Very low	48.4	Very low	162 Å²	162	120 Å²	120	64%	0.635	61%	0.611	S	S	*	*			trans	-97.5	123.2	161.5	-73.6	-81.5	0	0	0	107.7	R479 S483	R479-Y481 HydrophobicContact CB-CD2 4.13Å; R479-Y481 HydrophobicContact CB-CE2 3.76Å; R479-Y481 WeakPolarHBondContact CD-OH 3.32Å; R479-Y481 HydrophobicContact CG-CE2 4.36Å; R479-Y481 PolarHBondContact NH1-OH 3.12Å; R479-Y481 PolarHBondContact O-N 2.81Å; Y481-S483 PolarHBondContact O-N 2.91Å
482	N	37.7	Very low	50.4	Low	112 Å²	112	109.5 Å²	109.5	60%	0.599	57%	0.572	S	S	*	*			trans	-69.9	111.7	163.8	-71.8	-25.6	0	0	0	106.5
483	S	40.3	Very low	52.6	Low	68 Å²	68	104 Å²	104	48%	0.476	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-63.7	137.4	162.6	-62.2	0	0	0	0	107.9	Y481	Y481-S483 PolarHBondContact O-N 2.91Å
484	P	41.1	Very low	54	Low	116 Å²	116	100.8 Å²	100.8	75%	0.753	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-53	142.5	169.7	-19.5	29.6	0	0	0	109.1
485	P	46.1	Very low	55.2	Low	40 Å²	40	91.2 Å²	91.2	26%	0.26	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-53	154.8	169	25.1	-33	0	0	0	109.7	S487	P485-S487 PolarHBondContact O-N 3.14Å; P485-S487 VanDerWaalsContact O-N 3.09Å
486	P	48.8	Very low	56.3	Low	95 Å²	95	92.2 Å²	92.2	62%	0.617	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-51.1	125.5	173.6	22.1	-31.4	0	0	0	108.2	S488	P486-S488 PolarHBondContact O-N 2.87Å; P486-S488 VanDerWaalsContact O-N 3.15Å
487	S	53.8	Low	57.5	Low	76 Å²	76	87.1 Å²	87.1	53%	0.531	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-52.8	125.5	-178.9	57.5	0	0	0	0	108.2	P485 Q489	P485-S487 PolarHBondContact O-N 3.14Å; P485-S487 VanDerWaalsContact O-N 3.09Å; S487-Q489 PolarHBondContact O-N 3.28Å
488	S	65.4	Low	58.1	Low	21 Å²	21	79.7 Å²	79.7	15%	0.147	43%	0.43	C	S	.	.	S	Bend	trans	-65.1	3.4	170.3	62.4	0	0	0	0	112.6	P486 V513	P486-S488 PolarHBondContact O-N 2.87Å; P486-S488 VanDerWaalsContact O-N 3.15Å; S488-V513 WeakPolarHBondContact CB-O 3.44Å; S488-V513 PolarHBondContact OG-O 3.32Å
489	Q	75.6	Confident	59	Low	68 Å²	68	75.2 Å²	75.2	32%	0.318	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	122	175.1	-173.3	163.5	-2.8	0	0	111.7	S487 A510 A511 N512	S487-Q489 PolarHBondContact O-N 3.28Å; Q489-A510 HydrophobicContact CG-CB 4.25Å; Q489-A511 CarbonylContact C-O 3.52Å; Q489-A511 VanDerWaalsContact CA-O 3.26Å; Q489-A511 WeakPolarHBondContact CA-O 3.41Å; Q489-N512 WeakPolarHBondContact CB-ND2 3.39Å; Q489-N512 VanDerWaalsContact CG-OD1 3.23Å; Q489-N512 WeakPolarHBondContact CG-OD1 3.44Å
490	I	83.3	Confident	59.6	Low	68 Å²	68	67.8 Å²	67.8	35%	0.349	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.1	164.3	-60	-166.8	0	0	0	108.1	I453 A510 A511	I453-I490 HydrophobicContact CD1-CB 4.18Å; I453-I490 HydrophobicContact CD1-CD1 4.24Å; I453-I490 HydrophobicContact CD1-CG1 3.96Å; I453-I490 HydrophobicContact CG1-CB 4.46Å; I453-I490 HydrophobicContact CG1-CD1 3.77Å; I453-I490 HydrophobicContact CG1-CG1 4.07Å; I490-A510 WeakPolarHBondContact O-CA 3.36Å; I490-A511 PolarHBondContact N-O 2.98Å; I490-A511 PolarHBondContact O-N 3.23Å
491	S	84.3	Confident	60.3	Low	67 Å²	67	60.7 Å²	60.7	47%	0.469	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.1	170	-58.1	0	0	0	0	109.7	W509	S491-W509 CarbonylContact C-O 3.57Å; S491-W509 WeakPolarHBondContact CA-O 3.18Å
492	F	85.6	Confident	61.2	Low	19 Å²	19	53.1 Å²	53.1	8%	0.083	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	164.5	178.1	73.8	-74.8	0	0	0	110.7	T451 T494 W509 A511 L535 V593	T451-F492 HydrophobicContact CG2-CD1 3.32Å; T451-F492 HydrophobicContact CG2-CD2 4.36Å; T451-F492 HydrophobicContact CG2-CE1 3.34Å; T451-F492 HydrophobicContact CG2-CE2 4.38Å; T451-F492 HydrophobicContact CG2-CG 3.86Å; T451-F492 HydrophobicContact CG2-CZ 3.9Å; F492-T494 HydrophobicContact CE2-CG2 4.5Å; F492-W509 HydrophobicContact CD1-CB 3.85Å; F492-W509 HydrophobicContact CE1-CB 3.42Å; F492-W509 VanDerWaalsContact CE1-CB 3.42Å; F492-W509 HydrophobicContact CE1-CG 4.29Å; F492-W509 HydrophobicContact CE2-CB 4.4Å; F492-W509 HydrophobicContact CZ-CB 3.74Å; F492-W509 HydrophobicContact CZ-CG 4.12Å; F492-W509 PolarHBondContact N-O 3.34Å; F492-W509 PolarHBondContact O-N 2.9Å; F492-A511 HydrophobicContact CE1-CB 4.27Å; F492-L535 HydrophobicContact CE1-CD1 3.98Å; F492-L535 HydrophobicContact CZ-CD1 4.33Å; F492-V593 HydrophobicContact CE2-CG2 4.13Å; F492-V593 HydrophobicContact CZ-CG2 3.78Å
493	H	83	Confident	62	Low	102 Å²	102	55.1 Å²	55.1	47%	0.472	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134	-179.7	-54.8	-72.5	0	0	0	109.7	L507 T508	H493-L507 VanDerWaalsContact CA-O 3.28Å; H493-L507 WeakPolarHBondContact CA-O 3.45Å; H493-T508 PolarHBondContact CE1-OG1 3.02Å; H493-T508 VanDerWaalsContact CE1-OG1 3.23Å; H493-T508 PolarHBondContact ND1-OG1 3Å
494	T	76.8	Confident	62.8	Low	3 Å²	3	58.2 Å²	58.2	2%	0.018	35%	0.35	C	S	.	.			trans	-72.7	157.9	166.7	59	0	0	0	0	110	T448 F492 L507 V593	T448-T494 VanDerWaalsContact O-CA 3.3Å; T448-T494 WeakPolarHBondContact O-CA 3.23Å; F492-T494 HydrophobicContact CE2-CG2 4.5Å; T494-L507 PolarHBondContact N-O 2.65Å; T494-L507 WeakPolarHBondContact OG1-CB 3.04Å; T494-V593 HydrophobicContact CG2-CB 4.1Å; T494-V593 HydrophobicContact CG2-CG1 4.14Å; T494-V593 HydrophobicContact CG2-CG2 4.11Å
495	S	67.9	Low	63.9	Low	37 Å²	37	55.6 Å²	55.6	26%	0.259	33%	0.334	S	S	.	.			trans	-56.9	163.2	172.8	55.3	0	0	0	0	111.9	T448 H497	T448-S495 PolarHBondContact O-N 3.41Å; T448-S495 VanDerWaalsContact O-N 3.16Å; S495-H497 PolarHBondContact O-N 3.09Å
496	L	62.9	Low	65.1	Low	85 Å²	85	61.3 Å²	61.3	45%	0.445	35%	0.35	S	S	.	.			trans	-58.2	114.1	170.6	-72.1	159.2	0	0	0	108	G498 N504 R506	L496-G498 PolarHBondContact O-N 3.3Å; L496-N504 VanDerWaalsContact CD2-C 3.47Å; L496-N504 HydrophobicContact CD2-CB 4.46Å; L496-N504 WeakPolarHBondContact CD2-O 3.47Å; L496-R506 HydrophobicContact CD2-CG 4.01Å; L496-R506 HydrophobicContact CG-CG 4.3Å
497	H	59.9	Low	66.6	Low	9 Å²	9	57 Å²	57	4%	0.042	32%	0.322	C	S	.	.			trans	-70.1	106	173.1	-87.4	-83.7	0	0	0	107.9	W449 S495 I499 C502	W449-H497 AromaticContact CH2-CE1 3.36Å; W449-H497 WeakPolarHBondContact CH2-CE1 3.14Å; W449-H497 AromaticContact CH2-ND1 3.89Å; W449-H497 AromaticContact CZ3-CE1 3.37Å; W449-H497 WeakPolarHBondContact CZ3-CE1 3.35Å; W449-H497 AromaticContact CZ3-NE2 3.85Å; S495-H497 PolarHBondContact O-N 3.09Å; H497-I499 PolarHBondContact O-N 3.49Å; H497-C502 HydrophobicContact CB-CB 3.34Å
498	G	50.9	Low	68.1	Low	58 Å²	58	54.2 Å²	54.2	60%	0.598	30%	0.302	S	S	*	.			trans	-65.7	-1.3	-179.2	0	0	0	0	0	114.7	I421 L496	I421-G498 WeakPolarHBondContact CG2-O 3.27Å; L496-G498 PolarHBondContact O-N 3.3Å
499	I	59.2	Low	69.2	Low	11 Å²	11	53.4 Å²	53.4	6%	0.056	30%	0.296	C	S	.	.	S	Bend	trans	-75.3	131.5	176.1	-62.8	172.7	0	0	0	108.5	F420 Y424 H497 A501 C502 F597	F420-I499 HydrophobicContact CE1-CD1 3.8Å; F420-I499 HydrophobicContact CE1-CG1 4.2Å; F420-I499 HydrophobicContact CZ-CD1 3.8Å; Y424-I499 HydrophobicContact CD1-CG2 3.34Å; Y424-I499 HydrophobicContact CD2-CG2 4.2Å; Y424-I499 HydrophobicContact CE1-CG2 4.2Å; Y424-I499 HydrophobicContact CG-CG2 3.34Å; H497-I499 PolarHBondContact O-N 3.49Å; I499-A501 HydrophobicContact CG2-CB 4.06Å; I499-A501 PolarHBondContact O-N 3.09Å; I499-C502 PolarHBondContact O-N 3.01Å; I499-F597 HydrophobicContact CD1-CD1 4.05Å; I499-F597 HydrophobicContact CD1-CE1 3.13Å; I499-F597 HydrophobicContact CD1-CE2 4.22Å; I499-F597 HydrophobicContact CD1-CZ 3.23Å
500	A	51.9	Low	69.8	Low	40 Å²	40	50.1 Å²	50.1	33%	0.331	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-50	-25	-179.8	0	0	0	0	0	114.7	C502	A500-C502 PolarHBondContact O-N 3.03Å
501	A	54.2	Low	70.1	Confident	18 Å²	18	46.9 Å²	46.9	15%	0.149	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-65.7	-22.9	174.6	0	0	0	0	0	114.5	Y424 I499 I546	Y424-A501 HydrophobicContact CD1-CB 3.89Å; Y424-A501 HydrophobicContact CE1-CB 4.08Å; I499-A501 HydrophobicContact CG2-CB 4.06Å; I499-A501 PolarHBondContact O-N 3.09Å; A501-I546 HydrophobicContact CB-CD1 4.5Å
502	C	56	Low	70.2	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.02	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-116.6	21.2	-177.4	-65.2	0	0	0	0	112.3	H497 I499 A500 N504 S505 I546	H497-C502 HydrophobicContact CB-CB 3.34Å; I499-C502 PolarHBondContact O-N 3.01Å; A500-C502 PolarHBondContact O-N 3.03Å; C502-N504 PolarHBondContact O-N 2.86Å; C502-S505 WeakPolarHBondContact O-CB 3.46Å; C502-S505 PolarHBondContact O-N 2.8Å; C502-I546 VanDerWaalsContact SG-CD1 3.58Å
503	E	54.5	Low	70.4	Confident	154 Å²	154	43.4 Å²	43.4	72%	0.72	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-36.8	108.6	-172.8	-160.9	173.7	-166.5	0	0	111.9	S505	E503-S505 PolarHBondContact O-N 2.79Å; E503-S505 VanDerWaalsContact O-N 3.09Å; E503-S505 PolarHBondContact O-OG 3.15Å
504	N	58.6	Low	70.4	Confident	133 Å²	133	38.6 Å²	38.6	71%	0.711	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	21.2	-179.8	-61.9	-34.6	0	0	0	118.1	L496 C502	L496-N504 VanDerWaalsContact CD2-C 3.47Å; L496-N504 HydrophobicContact CD2-CB 4.46Å; L496-N504 WeakPolarHBondContact CD2-O 3.47Å; C502-N504 PolarHBondContact O-N 2.86Å
505	S	62.5	Low	70.6	Confident	60 Å²	60	42.5 Å²	42.5	42%	0.42	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-98.6	117.2	-177	-61.3	0	0	0	0	111.4	C502 E503	C502-S505 WeakPolarHBondContact O-CB 3.46Å; C502-S505 PolarHBondContact O-N 2.8Å; E503-S505 PolarHBondContact O-N 2.79Å; E503-S505 VanDerWaalsContact O-N 3.09Å; E503-S505 PolarHBondContact O-OG 3.15Å
506	R	72.7	Confident	71.1	Confident	160 Å²	160	43.7 Å²	43.7	60%	0.604	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-80.8	129.4	167.1	-66.2	-176.7	-178.1	-172.9	-1.3	109.2	L496	L496-R506 HydrophobicContact CD2-CG 4.01Å; L496-R506 HydrophobicContact CG-CG 4.3Å
507	L	80.2	Confident	71.8	Confident	6 Å²	6	42.6 Å²	42.6	3%	0.031	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-90.5	127	174.1	-58	175	0	0	0	109.4	H493 T494 M537 L542 F548	H493-L507 VanDerWaalsContact CA-O 3.28Å; H493-L507 WeakPolarHBondContact CA-O 3.45Å; T494-L507 PolarHBondContact N-O 2.65Å; T494-L507 WeakPolarHBondContact OG1-CB 3.04Å; L507-M537 HydrophobicContact CD2-SD 4.3Å; L507-L542 HydrophobicContact CD1-CD1 3.87Å; L507-L542 HydrophobicContact CD1-CD2 4.4Å; L507-L542 HydrophobicContact CD2-CD1 3.72Å; L507-L542 HydrophobicContact CD2-CD2 3.85Å; L507-L542 HydrophobicContact CD2-CG 3.74Å; L507-L542 HydrophobicContact CG-CD1 4.46Å; L507-F548 HydrophobicContact CD1-CE1 4.27Å; L507-F548 HydrophobicContact CD1-CZ 3.63Å
508	T	84.6	Confident	72.5	Confident	16 Å²	16	47.8 Å²	47.8	10%	0.098	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130	175.9	-50.6	0	0	0	0	109.6	H493 Q538	H493-T508 PolarHBondContact CE1-OG1 3.02Å; H493-T508 VanDerWaalsContact CE1-OG1 3.23Å; H493-T508 PolarHBondContact ND1-OG1 3Å; T508-Q538 HydrophobicContact CG2-CB 4.31Å; T508-Q538 HydrophobicContact CG2-CG 4.46Å; T508-Q538 PolarHBondContact O-N 3.35Å
509	W	87.6	Confident	73.7	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.015	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146.4	-179.7	-65.8	88.6	0	0	0	110.4	S491 F492 L535 S536 M537 F548 N550 V593	S491-W509 CarbonylContact C-O 3.57Å; S491-W509 WeakPolarHBondContact CA-O 3.18Å; F492-W509 HydrophobicContact CD1-CB 3.85Å; F492-W509 HydrophobicContact CE1-CB 3.42Å; F492-W509 VanDerWaalsContact CE1-CB 3.42Å; F492-W509 HydrophobicContact CE1-CG 4.29Å; F492-W509 HydrophobicContact CE2-CB 4.4Å; F492-W509 HydrophobicContact CZ-CB 3.74Å; F492-W509 HydrophobicContact CZ-CG 4.12Å; F492-W509 PolarHBondContact N-O 3.34Å; F492-W509 PolarHBondContact O-N 2.9Å; W509-L535 HydrophobicContact CB-CD1 4.19Å; W509-L535 HydrophobicContact CE3-CD1 3.99Å; W509-L535 HydrophobicContact CE3-CD2 4.35Å; W509-L535 HydrophobicContact CE3-CG 3.82Å; W509-L535 HydrophobicContact CZ3-CG 4.22Å; W509-S536 CarbonylContact C-O 3.59Å; W509-S536 WeakPolarHBondContact CA-O 3.29Å; W509-M537 HydrophobicContact CD2-CB 4.39Å; W509-M537 HydrophobicContact CE3-CB 4.01Å; W509-M537 HydrophobicContact CH2-CB 4.05Å; W509-M537 HydrophobicContact CZ2-CB 4.42Å; W509-M537 HydrophobicContact CZ2-CG 4.44Å; W509-M537 HydrophobicContact CZ2-SD 4.38Å; W509-M537 HydrophobicContact CZ3-CB 3.83Å; W509-F548 HydrophobicContact CH2-CB 4.15Å; W509-F548 AromaticContact CH2-CD1 3.94Å; W509-F548 HydrophobicContact CH2-CD1 3.94Å; W509-F548 AromaticContact CH2-CD2 3.95Å; W509-F548 HydrophobicContact CH2-CD2 3.95Å; W509-F548 HydrophobicContact CH2-CE1 4.34Å; W509-F548 HydrophobicContact CH2-CE2 4.35Å; W509-F548 AromaticContact CH2-CG 3.74Å; W509-F548 HydrophobicContact CH2-CG 3.74Å; W509-F548 AromaticContact CZ2-CD1 3.81Å; W509-F548 HydrophobicContact CZ2-CD1 3.81Å; W509-F548 HydrophobicContact CZ2-CD2 4.25Å; W509-F548 AromaticContact CZ2-CE1 3.79Å; W509-F548 HydrophobicContact CZ2-CE1 3.79Å; W509-F548 HydrophobicContact CZ2-CE2 4.23Å; W509-F548 HydrophobicContact CZ2-CG 4.05Å; W509-F548 HydrophobicContact CZ2-CZ 4.02Å; W509-N550 VanDerWaalsContact CZ3-ND2 3.33Å; W509-N550 WeakPolarHBondContact CZ3-ND2 3.26Å; W509-V593 HydrophobicContact CD2-CG2 3.91Å; W509-V593 HydrophobicContact CE3-CG2 4.44Å; W509-V593 HydrophobicContact CG-CG2 4.15Å; W509-V593 HydrophobicContact CH2-CG1 4.19Å; W509-V593 HydrophobicContact CZ2-CG1 3.52Å; W509-V593 HydrophobicContact CZ2-CG2 4.24Å
510	A	88.7	Confident	74.5	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.6	170.1	0	0	0	0	0	109.5	Q489 I490 L535 S536 Q538	Q489-A510 HydrophobicContact CG-CB 4.25Å; I490-A510 WeakPolarHBondContact O-CA 3.36Å; A510-L535 WeakPolarHBondContact O-CA 3.31Å; A510-S536 PolarHBondContact N-O 2.98Å; A510-S536 PolarHBondContact O-N 2.86Å; A510-Q538 HydrophobicContact CB-CG 4.3Å
511	A	89.6	Confident	75.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.9	178.8	0	0	0	0	0	110.2	T451 I453 Q489 I490 F492 K534 L535 F591	T451-A511 HydrophobicContact CG2-CB 4.03Å; I453-A511 HydrophobicContact CD1-CB 4.11Å; I453-A511 WeakPolarHBondContact CD1-O 3.44Å; Q489-A511 CarbonylContact C-O 3.52Å; Q489-A511 VanDerWaalsContact CA-O 3.26Å; Q489-A511 WeakPolarHBondContact CA-O 3.41Å; I490-A511 PolarHBondContact N-O 2.98Å; I490-A511 PolarHBondContact O-N 3.23Å; F492-A511 HydrophobicContact CE1-CB 4.27Å; A511-K534 CarbonylContact C-O 3.57Å; A511-K534 WeakPolarHBondContact CA-O 3.42Å; A511-L535 HydrophobicContact CB-CD1 3.97Å; A511-F591 HydrophobicContact CB-CB 4.33Å; A511-F591 HydrophobicContact CB-CD1 3.82Å; A511-F591 HydrophobicContact CB-CD2 3.84Å; A511-F591 HydrophobicContact CB-CE1 3.98Å; A511-F591 HydrophobicContact CB-CE2 4.04Å; A511-F591 HydrophobicContact CB-CG 3.74Å; A511-F591 HydrophobicContact CB-CZ 4.1Å
512	N	87.9	Confident	76.6	Confident	10 Å²	10	54.1 Å²	54.1	5%	0.053	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	142.2	-179.4	-60.2	43.5	0	0	0	109.9	Q489 F514 A533 K534 F591	Q489-N512 WeakPolarHBondContact CB-ND2 3.39Å; Q489-N512 VanDerWaalsContact CG-OD1 3.23Å; Q489-N512 WeakPolarHBondContact CG-OD1 3.44Å; N512-F514 HydrophobicContact CB-CE2 4.26Å; N512-F514 HydrophobicContact CB-CZ 4.05Å; N512-A533 CarbonylContact O-C 3.29Å; N512-A533 WeakPolarHBondContact O-CA 3.14Å; N512-K534 HydrophobicContact CB-CB 4.37Å; N512-K534 PolarHBondContact N-O 2.91Å; N512-K534 PolarHBondContact O-N 2.83Å; N512-F591 WeakPolarHBondContact O-CZ 3.47Å
513	V	87.9	Confident	77.4	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.1	170.8	-179.9	0	0	0	0	109	I453 L458 S488 Y589 F591	I453-V513 HydrophobicContact CB-CG2 4.19Å; I453-V513 HydrophobicContact CD1-CG2 4.26Å; I453-V513 HydrophobicContact CG2-CG2 4.2Å; L458-V513 HydrophobicContact CD1-CB 4.22Å; S488-V513 WeakPolarHBondContact CB-O 3.44Å; S488-V513 PolarHBondContact OG-O 3.32Å; V513-Y589 HydrophobicContact CG1-CD1 4.4Å; V513-Y589 HydrophobicContact CG1-CD2 4Å; V513-Y589 HydrophobicContact CG1-CE1 4.3Å; V513-Y589 HydrophobicContact CG1-CE2 3.89Å; V513-Y589 HydrophobicContact CG1-CG 4.25Å; V513-Y589 HydrophobicContact CG2-CD1 4.19Å; V513-Y589 HydrophobicContact CG2-CD2 3.99Å; V513-Y589 HydrophobicContact CG2-CG 3.7Å; V513-F591 HydrophobicContact CG2-CE2 3.78Å; V513-F591 HydrophobicContact CG2-CZ 3.63Å
514	F	84.6	Confident	78.3	Confident	1 Å²	1	54.7 Å²	54.7	0%	0.004	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.2	174.4	-51.7	-78.4	0	0	0	108.3	N512 D519 C520 E523 V525 P531 A532 K534 M571	N512-F514 HydrophobicContact CB-CE2 4.26Å; N512-F514 HydrophobicContact CB-CZ 4.05Å; F514-D519 HydrophobicContact CB-CB 4.11Å; F514-D519 HydrophobicContact CD1-CB 4.01Å; F514-C520 WeakPolarHBondContact CB-SG 3.39Å; F514-C520 HydrophobicContact CD1-CB 4.45Å; F514-C520 WeakPolarHBondContact CG-SG 3.33Å; F514-E523 HydrophobicContact CE1-CB 3.83Å; F514-E523 HydrophobicContact CE1-CG 3.89Å; F514-E523 HydrophobicContact CZ-CB 4.47Å; F514-V525 HydrophobicContact CZ-CB 4.35Å; F514-V525 HydrophobicContact CZ-CG2 4.15Å; F514-P531 CarbonylContact O-C 3.55Å; F514-P531 VanDerWaalsContact O-CA 3.26Å; F514-P531 WeakPolarHBondContact O-CA 3.46Å; F514-P531 WeakPolarHBondContact O-CB 3.27Å; F514-A532 HydrophobicContact CB-CB 4.44Å; F514-A532 HydrophobicContact CD2-CB 4.32Å; F514-A532 PolarHBondContact N-O 2.92Å; F514-A532 PolarHBondContact O-N 2.83Å; F514-K534 HydrophobicContact CE2-CB 3.74Å; F514-K534 HydrophobicContact CE2-CD 4.46Å; F514-K534 HydrophobicContact CZ-CB 4.41Å; F514-K534 HydrophobicContact CZ-CD 4.48Å; F514-M571 HydrophobicContact CE2-CE 4.33Å
515	K	79.4	Confident	79.1	Confident	85 Å²	85	49.4 Å²	49.4	37%	0.37	27%	0.272	S	S	.	.	S	Bend	trans	-81.8	-33.7	179.1	-70.5	-176.1	175.5	179.9	0	111.4	S455 D519	S455-K515 WeakPolarHBondContact O-CE 3.06Å; S455-K515 PolarHBondContact O-NZ 2.87Å; K515-D519 PolarHBondContact N-OD2 3.46Å
516	T	78.9	Confident	79.9	Confident	61 Å²	61	54.4 Å²	54.4	37%	0.374	29%	0.289	S	S	.	.	S	Bend	trans	-129.2	159.6	-174.7	62.9	0	0	0	0	111.3	D518 D519 C520	T516-D518 PolarHBondContact O-N 3.09Å; T516-D519 PolarHBondContact N-OD2 3.25Å; T516-D519 WeakPolarHBondContact O-CB 3.33Å; T516-D519 PolarHBondContact O-N 2.97Å; T516-D519 VanDerWaalsContact O-N 3.13Å; T516-D519 PolarHBondContact OG1-N 2.98Å; T516-D519 PolarHBondContact OG1-OD1 2.87Å; T516-D519 PolarHBondContact OG1-OD2 3.32Å; T516-D519 VanDerWaalsContact OG1-OD2 3.08Å; T516-C520 PolarHBondContact O-N 3.49Å
517	S	78.6	Confident	80.1	Confident	63 Å²	63	47.6 Å²	47.6	44%	0.441	27%	0.265	S	S	.	.	H	α-helix	trans	-60.8	-28.1	173.1	-55	0	0	0	0	112.5	C520 S521	S517-C520 WeakPolarHBondContact O-CB 3.29Å; S517-C520 PolarHBondContact O-N 3.45Å; S517-S521 PolarHBondContact O-N 3.44Å; S517-S521 VanDerWaalsContact O-N 3.09Å; S517-S521 PolarHBondContact O-OG 2.88Å; S517-S521 VanDerWaalsContact O-OG 3.12Å
518	D	74.8	Confident	79.8	Confident	118 Å²	118	51.4 Å²	51.4	63%	0.631	29%	0.293	S	S	*	.	H	α-helix	trans	-67.9	-36.6	174.9	-68.7	-15.1	0	0	0	112.3	T516 C520 S521 R522	T516-D518 PolarHBondContact O-N 3.09Å; D518-C520 VanDerWaalsContact C-N 3.26Å; D518-C520 PolarHBondContact O-N 3.1Å; D518-S521 PolarHBondContact O-N 3.04Å; D518-R522 WeakPolarHBondContact O-CG 3.34Å; D518-R522 PolarHBondContact O-N 3.13Å
519	D	75.5	Confident	79.4	Confident	29 Å²	29	52 Å²	52	16%	0.155	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-40.5	174	-61	-31.3	0	0	0	110.9	F514 K515 T516 R522 E523	F514-D519 HydrophobicContact CB-CB 4.11Å; F514-D519 HydrophobicContact CD1-CB 4.01Å; K515-D519 PolarHBondContact N-OD2 3.46Å; T516-D519 PolarHBondContact N-OD2 3.25Å; T516-D519 WeakPolarHBondContact O-CB 3.33Å; T516-D519 PolarHBondContact O-N 2.97Å; T516-D519 VanDerWaalsContact O-N 3.13Å; T516-D519 PolarHBondContact OG1-N 2.98Å; T516-D519 PolarHBondContact OG1-OD1 2.87Å; T516-D519 PolarHBondContact OG1-OD2 3.32Å; T516-D519 VanDerWaalsContact OG1-OD2 3.08Å; D519-R522 IonicContact OD1-CZ 3.49Å; D519-R522 IonicContact OD1-NH2 3.65Å; D519-R522 PolarHBondContact OD1-NH2 2.95Å; D519-E523 PolarHBondContact O-N 3.19Å
520	C	76.4	Confident	78.8	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.014	31%	0.312	C	S	.	.	H	α-helix	trans	-65.9	-46.1	178.4	-59.7	0	0	0	0	111.8	F514 T516 S517 D518 R522 E523 G524 V525 C527	F514-C520 WeakPolarHBondContact CB-SG 3.39Å; F514-C520 HydrophobicContact CD1-CB 4.45Å; F514-C520 WeakPolarHBondContact CG-SG 3.33Å; T516-C520 PolarHBondContact O-N 3.49Å; S517-C520 WeakPolarHBondContact O-CB 3.29Å; S517-C520 PolarHBondContact O-N 3.45Å; D518-C520 VanDerWaalsContact C-N 3.26Å; D518-C520 PolarHBondContact O-N 3.1Å; C520-R522 VanDerWaalsContact C-N 3.33Å; C520-R522 PolarHBondContact O-N 2.91Å; C520-E523 CarbonylContact O-C 3.6Å; C520-E523 PolarHBondContact O-N 2.95Å; C520-G524 PolarHBondContact O-N 3.28Å; C520-G524 VanDerWaalsContact O-N 3.16Å; C520-V525 CarbonylContact C-O 3.57Å; C520-V525 VanDerWaalsContact CB-O 3.25Å; C520-V525 WeakPolarHBondContact CB-O 3.48Å; C520-V525 PolarHBondContact O-N 3.21Å; C520-V525 VanDerWaalsContact O-O 3.06Å; C520-C527 HydrophobicContact CB-CB 3.67Å; C520-C527 WeakPolarHBondContact CB-SG 3.18Å; C520-C527 WeakPolarHBondContact SG-CB 3.3Å; C520-C527 CovalentContact SG-SG 2.01Å; C520-C527 PolarHBondContact SG-SG 3.22Å
521	S	76.7	Confident	78.5	Confident	90 Å²	90	55 Å²	55	63%	0.629	32%	0.321	S	S	*	.	H	α-helix	trans	-61.7	-39.8	180	-59.9	0	0	0	0	112.3	S517 D518 E523 G524	S517-S521 PolarHBondContact O-N 3.44Å; S517-S521 VanDerWaalsContact O-N 3.09Å; S517-S521 PolarHBondContact O-OG 2.88Å; S517-S521 VanDerWaalsContact O-OG 3.12Å; D518-S521 PolarHBondContact O-N 3.04Å; S521-E523 VanDerWaalsContact C-N 3.3Å; S521-E523 PolarHBondContact O-N 3.17Å; S521-G524 PolarHBondContact O-N 3.41Å; S521-G524 VanDerWaalsContact O-N 3.16Å
522	R	73.2	Confident	78.3	Confident	138 Å²	138	55 Å²	55	52%	0.521	32%	0.321	S	S	.	.	H	α-helix	trans	-63.3	-33.9	176.6	-74.7	-172.6	-68	170.6	-3.1	113.5	D518 D519 C520 G524	D518-R522 WeakPolarHBondContact O-CG 3.34Å; D518-R522 PolarHBondContact O-N 3.13Å; D519-R522 IonicContact OD1-CZ 3.49Å; D519-R522 IonicContact OD1-NH2 3.65Å; D519-R522 PolarHBondContact OD1-NH2 2.95Å; C520-R522 VanDerWaalsContact C-N 3.33Å; C520-R522 PolarHBondContact O-N 2.91Å; R522-G524 VanDerWaalsContact C-N 3.31Å
523	E	72	Confident	78.4	Confident	95 Å²	95	54.6 Å²	54.6	44%	0.444	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	6	178.8	-66.5	-67.8	151.2	0	0	112.6	F514 D519 C520 S521 V525	F514-E523 HydrophobicContact CE1-CB 3.83Å; F514-E523 HydrophobicContact CE1-CG 3.89Å; F514-E523 HydrophobicContact CZ-CB 4.47Å; D519-E523 PolarHBondContact O-N 3.19Å; C520-E523 CarbonylContact O-C 3.6Å; C520-E523 PolarHBondContact O-N 2.95Å; S521-E523 VanDerWaalsContact C-N 3.3Å; S521-E523 PolarHBondContact O-N 3.17Å; E523-V525 VanDerWaalsContact C-N 3.3Å; E523-V525 HydrophobicContact CB-CG2 4.4Å; E523-V525 PolarHBondContact O-N 3.06Å
524	G	73	Confident	78.5	Confident	74 Å²	74	57.4 Å²	57.4	76%	0.763	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	29.1	179.6	0	0	0	0	0	113.7	C520 S521 R522	C520-G524 PolarHBondContact O-N 3.28Å; C520-G524 VanDerWaalsContact O-N 3.16Å; S521-G524 PolarHBondContact O-N 3.41Å; S521-G524 VanDerWaalsContact O-N 3.16Å; R522-G524 VanDerWaalsContact C-N 3.31Å
525	V	77.2	Confident	78.8	Confident	22 Å²	22	57.4 Å²	57.4	13%	0.133	33%	0.33	C	S	.	.			trans	-114.2	136.3	-179.5	-176.5	0	0	0	0	109.7	F514 C520 E523 K534 M571	F514-V525 HydrophobicContact CZ-CB 4.35Å; F514-V525 HydrophobicContact CZ-CG2 4.15Å; C520-V525 CarbonylContact C-O 3.57Å; C520-V525 VanDerWaalsContact CB-O 3.25Å; C520-V525 WeakPolarHBondContact CB-O 3.48Å; C520-V525 PolarHBondContact O-N 3.21Å; C520-V525 VanDerWaalsContact O-O 3.06Å; E523-V525 VanDerWaalsContact C-N 3.3Å; E523-V525 HydrophobicContact CB-CG2 4.4Å; E523-V525 PolarHBondContact O-N 3.06Å; V525-K534 HydrophobicContact CG2-CD 4.23Å; V525-M571 HydrophobicContact CG1-CE 3.64Å; V525-M571 HydrophobicContact CG1-SD 3.72Å
526	H	78.9	Confident	79.2	Confident	165 Å²	165	54.8 Å²	54.8	76%	0.764	32%	0.323	S	S	*	.			trans	-86.8	117.7	172.2	-173.1	-67	0	0	0	110.3
527	C	76.3	Confident	79.5	Confident	17 Å²	17	54.1 Å²	54.1	12%	0.115	32%	0.316	C	S	.	.			trans	-106.7	122.4	174.2	-66.6	0	0	0	0	109.9	C520 S529 A532	C520-C527 HydrophobicContact CB-CB 3.67Å; C520-C527 WeakPolarHBondContact CB-SG 3.18Å; C520-C527 WeakPolarHBondContact SG-CB 3.3Å; C520-C527 CovalentContact SG-SG 2.01Å; C520-C527 PolarHBondContact SG-SG 3.22Å; C527-S529 VanDerWaalsContact C-N 3.29Å; C527-A532 HydrophobicContact CB-CB 4.18Å
528	S	74.6	Confident	79.7	Confident	86 Å²	86	55.7 Å²	55.7	60%	0.601	32%	0.316	S	S	*	.	S	Bend	trans	-81.8	-7.5	175.1	59.1	0	0	0	0	113.7	H573	S528-H573 PolarHBondContact OG-CD2 2.89Å; S528-H573 PolarHBondContact OG-CE1 2.64Å; S528-H573 PolarHBondContact OG-ND1 2.97Å; S528-H573 VanDerWaalsContact OG-ND1 3.1Å; S528-H573 PolarHBondContact OG-NE2 3.18Å
529	S	76.4	Confident	79.5	Confident	30 Å²	30	53.8 Å²	53.8	21%	0.21	31%	0.306	C	S	.	.	S	Bend	trans	-151	158.9	173.1	73.5	0	0	0	0	109.6	C527 H573 I574	C527-S529 VanDerWaalsContact C-N 3.29Å; S529-H573 WeakPolarHBondContact OG-CB 3.45Å; S529-I574 PolarHBondContact OG-O 2.05Å
530	A	74.1	Confident	78.7	Confident	37 Å²	37	59 Å²	59	31%	0.306	33%	0.334	S	S	.	.	S	Bend	trans	-128.6	129.8	171.3	0	0	0	0	0	108.4
531	P	81.9	Confident	77.8	Confident	30 Å²	30	66.7 Å²	66.7	20%	0.195	38%	0.375	C	S	.	.	S	Bend	cis	-74.3	157.9	3.4	29.1	-31.9	0	0	0	114	F514 I574	F514-P531 CarbonylContact O-C 3.55Å; F514-P531 VanDerWaalsContact O-CA 3.26Å; F514-P531 WeakPolarHBondContact O-CA 3.46Å; F514-P531 WeakPolarHBondContact O-CB 3.27Å; P531-I574 HydrophobicContact CB-CD1 4.25Å; P531-I574 HydrophobicContact CG-CB 4.12Å; P531-I574 HydrophobicContact CG-CD1 4.23Å; P531-I574 HydrophobicContact CG-CG2 4.12Å; P531-I574 WeakPolarHBondContact O-CB 3.4Å; P531-I574 PolarHBondContact O-N 3.16Å
532	A	86.6	Confident	77.1	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.8	175.5	0	0	0	0	0	111.2	F514 C527 M571 A572	F514-A532 HydrophobicContact CB-CB 4.44Å; F514-A532 HydrophobicContact CD2-CB 4.32Å; F514-A532 PolarHBondContact N-O 2.92Å; F514-A532 PolarHBondContact O-N 2.83Å; C527-A532 HydrophobicContact CB-CB 4.18Å; A532-M571 HydrophobicContact CB-CE 4.31Å; A532-A572 WeakPolarHBondContact CA-O 3.41Å
533	A	90.1	Very high	76.3	Confident	0 Å²	0	66 Å²	66	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.1	177.4	0	0	0	0	0	110.4	N512 V552 F567 M571 A572 I574 F591	N512-A533 CarbonylContact O-C 3.29Å; N512-A533 WeakPolarHBondContact O-CA 3.14Å; A533-V552 HydrophobicContact CB-CG1 4.37Å; A533-V552 HydrophobicContact CB-CG2 4.3Å; A533-F567 HydrophobicContact CB-CE1 4.42Å; A533-F567 HydrophobicContact CB-CZ 4.34Å; A533-M571 CarbonylContact O-C 3.52Å; A533-M571 WeakPolarHBondContact O-CA 3.44Å; A533-A572 HydrophobicContact CB-CB 4.29Å; A533-A572 PolarHBondContact N-O 2.98Å; A533-A572 PolarHBondContact O-N 2.83Å; A533-I574 HydrophobicContact CB-CD1 4.42Å; A533-F591 HydrophobicContact CB-CE1 3.77Å; A533-F591 HydrophobicContact CB-CZ 3.86Å
534	K	89.8	Confident	75.6	Confident	62 Å²	62	73.2 Å²	73.2	27%	0.27	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.7	176.6	-178.1	178.1	-179.4	-178.2	0	110.3	A511 N512 F514 V525 N570 M571	A511-K534 CarbonylContact C-O 3.57Å; A511-K534 WeakPolarHBondContact CA-O 3.42Å; N512-K534 HydrophobicContact CB-CB 4.37Å; N512-K534 PolarHBondContact N-O 2.91Å; N512-K534 PolarHBondContact O-N 2.83Å; F514-K534 HydrophobicContact CE2-CB 3.74Å; F514-K534 HydrophobicContact CE2-CD 4.46Å; F514-K534 HydrophobicContact CZ-CB 4.41Å; F514-K534 HydrophobicContact CZ-CD 4.48Å; V525-K534 HydrophobicContact CG2-CD 4.23Å; K534-N570 CarbonylContact C-O 3.56Å; K534-N570 VanDerWaalsContact CA-O 3.27Å; K534-N570 WeakPolarHBondContact CA-O 3.31Å; K534-M571 HydrophobicContact CB-SD 3.58Å; K534-M571 VanDerWaalsContact CB-SD 3.58Å; K534-M571 HydrophobicContact CD-SD 3.89Å; K534-M571 HydrophobicContact CG-SD 3.7Å
535	L	90.3	Very high	75.3	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.005	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	116.2	176.4	-177	62.6	0	0	0	109.6	F492 W509 A510 A511 N550 F567 N570 F591 V593	F492-L535 HydrophobicContact CE1-CD1 3.98Å; F492-L535 HydrophobicContact CZ-CD1 4.33Å; W509-L535 HydrophobicContact CB-CD1 4.19Å; W509-L535 HydrophobicContact CE3-CD1 3.99Å; W509-L535 HydrophobicContact CE3-CD2 4.35Å; W509-L535 HydrophobicContact CE3-CG 3.82Å; W509-L535 HydrophobicContact CZ3-CG 4.22Å; A510-L535 WeakPolarHBondContact O-CA 3.31Å; A511-L535 HydrophobicContact CB-CD1 3.97Å; L535-N550 HydrophobicContact CD2-CB 3.69Å; L535-N550 WeakPolarHBondContact CD2-ND2 3.44Å; L535-F567 HydrophobicContact CB-CD1 4.11Å; L535-F567 HydrophobicContact CB-CE1 3.59Å; L535-F567 HydrophobicContact CB-CE2 4.27Å; L535-F567 HydrophobicContact CB-CZ 3.69Å; L535-F567 HydrophobicContact CD2-CE2 4.27Å; L535-F567 HydrophobicContact CD2-CZ 4.42Å; L535-N570 PolarHBondContact N-O 2.86Å; L535-N570 WeakPolarHBondContact O-CB 3.37Å; L535-F591 HydrophobicContact CB-CD1 4.11Å; L535-F591 HydrophobicContact CD1-CB 4.45Å; L535-F591 HydrophobicContact CD1-CD1 4.23Å; L535-F591 HydrophobicContact CD2-CB 4.5Å; L535-F591 HydrophobicContact CD2-CD1 4.46Å; L535-V593 HydrophobicContact CD2-CG2 4.32Å
536	S	87.8	Confident	75	Confident	30 Å²	30	73.6 Å²	73.6	21%	0.21	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	137.7	-174.7	57.9	0	0	0	0	112	W509 A510	W509-S536 CarbonylContact C-O 3.59Å; W509-S536 WeakPolarHBondContact CA-O 3.29Å; A510-S536 PolarHBondContact N-O 2.98Å; A510-S536 PolarHBondContact O-N 2.86Å
537	M	85.6	Confident	75	Confident	48 Å²	48	73.7 Å²	73.7	24%	0.236	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	131.5	174.4	-173.2	177	65.5	0	0	109.7	L507 W509 L542 F548	L507-M537 HydrophobicContact CD2-SD 4.3Å; W509-M537 HydrophobicContact CD2-CB 4.39Å; W509-M537 HydrophobicContact CE3-CB 4.01Å; W509-M537 HydrophobicContact CH2-CB 4.05Å; W509-M537 HydrophobicContact CZ2-CB 4.42Å; W509-M537 HydrophobicContact CZ2-CG 4.44Å; W509-M537 HydrophobicContact CZ2-SD 4.38Å; W509-M537 HydrophobicContact CZ3-CB 3.83Å; M537-L542 HydrophobicContact CE-CD1 3.95Å; M537-L542 HydrophobicContact SD-CD1 3.47Å; M537-L542 WeakPolarHBondContact SD-CD1 3.39Å; M537-L542 HydrophobicContact SD-CG 4.48Å; M537-F548 HydrophobicContact SD-CE2 4.34Å
538	Q	81.6	Confident	75.4	Confident	95 Å²	95	74.9 Å²	74.9	44%	0.444	37%	0.365	S	S	.	.	S	Bend	trans	-92.6	-32.1	-176.2	-65.1	-171.8	-25.2	0	0	113.4	T508 A510	T508-Q538 HydrophobicContact CG2-CB 4.31Å; T508-Q538 HydrophobicContact CG2-CG 4.46Å; T508-Q538 PolarHBondContact O-N 3.35Å; A510-Q538 HydrophobicContact CB-CG 4.3Å
539	N	72.2	Confident	76	Confident	78 Å²	78	72.3 Å²	72.3	42%	0.417	35%	0.345	S	S	.	.			trans	-100.7	108.9	-178.3	-71.2	-4.4	0	0	0	110.4	N541	N539-N541 VanDerWaalsContact C-N 3.34Å; N539-N541 PolarHBondContact O-N 3.31Å
540	N	59.1	Low	76.7	Confident	138 Å²	138	71.3 Å²	71.3	74%	0.738	34%	0.337	S	S	*	.			trans	-89.1	18.1	-171.6	-122	6.5	0	0	0	115	L542	N540-L542 VanDerWaalsContact C-N 3.26Å; N540-L542 PolarHBondContact O-N 2.91Å
541	N	56.8	Low	77.6	Confident	164 Å²	164	71.5 Å²	71.5	88%	0.877	33%	0.33	S	S	*	.			trans	-84.6	14.5	-173.2	-72.1	-12.4	0	0	0	114.6	N539	N539-N541 VanDerWaalsContact C-N 3.34Å; N539-N541 PolarHBondContact O-N 3.31Å
542	L	60.6	Low	78.2	Confident	39 Å²	39	70.1 Å²	70.1	20%	0.204	32%	0.321	C	S	.	.			trans	-75.5	137.8	-180	-78.1	171.8	0	0	0	112	L507 M537 N540 F548	L507-L542 HydrophobicContact CD1-CD1 3.87Å; L507-L542 HydrophobicContact CD1-CD2 4.4Å; L507-L542 HydrophobicContact CD2-CD1 3.72Å; L507-L542 HydrophobicContact CD2-CD2 3.85Å; L507-L542 HydrophobicContact CD2-CG 3.74Å; L507-L542 HydrophobicContact CG-CD1 4.46Å; M537-L542 HydrophobicContact CE-CD1 3.95Å; M537-L542 HydrophobicContact SD-CD1 3.47Å; M537-L542 WeakPolarHBondContact SD-CD1 3.39Å; M537-L542 HydrophobicContact SD-CG 4.48Å; N540-L542 VanDerWaalsContact C-N 3.26Å; N540-L542 PolarHBondContact O-N 2.91Å; L542-F548 HydrophobicContact CD1-CE2 3.68Å; L542-F548 HydrophobicContact CD1-CZ 3.98Å
543	R	56.3	Low	78.5	Confident	174 Å²	174	70.1 Å²	70.1	66%	0.657	32%	0.321	S	S	*	.			trans	-62.2	144.8	165.6	-67.5	-174.7	178.9	-176.5	3.4	109	N545	R543-N545 PolarHBondContact O-N 3.37Å
544	R	59	Low	78.5	Confident	247 Å²	247	70.2 Å²	70.2	93%	0.932	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	8.1	-172.7	-67.8	-176.5	178.4	176.7	-0.7	116.7
545	N	65.4	Low	78.5	Confident	81 Å²	81	68 Å²	68	43%	0.433	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	12.9	-167.7	-59.2	12.9	0	0	0	113.5	Y424 R543 V598	Y424-N545 PolarHBondContact OH-O 2.9Å; R543-N545 PolarHBondContact O-N 3.37Å; N545-V598 PolarHBondContact O-N 2.95Å; N545-V598 VanDerWaalsContact O-N 3.17Å
546	I	71.8	Confident	78.2	Confident	24 Å²	24	68 Å²	68	12%	0.123	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	123.6	176.3	-55.7	177.2	0	0	0	108.4	A501 C502 F548 P595 F597	A501-I546 HydrophobicContact CB-CD1 4.5Å; C502-I546 VanDerWaalsContact SG-CD1 3.58Å; I546-F548 HydrophobicContact CG2-CE1 4.3Å; I546-F548 HydrophobicContact CG2-CE2 3.98Å; I546-F548 HydrophobicContact CG2-CZ 3.86Å; I546-P595 HydrophobicContact CG2-CB 4.01Å; I546-F597 HydrophobicContact CD1-CE1 4.34Å; I546-F597 HydrophobicContact CG1-CD1 4.29Å
547	R	79.1	Confident	77.2	Confident	166 Å²	166	70.7 Å²	70.7	63%	0.626	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	157.4	166.9	-178.3	176.2	-178.5	173.9	-0.8	108.5	P595 E596 V598	R547-P595 CarbonylContact O-C 3.58Å; R547-E596 HydrophobicContact CB-CB 4.21Å; R547-E596 PolarHBondContact N-O 2.86Å; R547-E596 PolarHBondContact O-N 3.38Å; R547-E596 VanDerWaalsContact O-O 3.13Å; R547-V598 HydrophobicContact CB-CG2 3.71Å
548	F	83.3	Confident	76.1	Confident	43 Å²	43	74.6 Å²	74.6	19%	0.189	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.5	173.1	-68.3	-85.9	0	0	0	109.9	L507 W509 M537 L542 I546 V593 R594 P595	L507-F548 HydrophobicContact CD1-CE1 4.27Å; L507-F548 HydrophobicContact CD1-CZ 3.63Å; W509-F548 HydrophobicContact CH2-CB 4.15Å; W509-F548 AromaticContact CH2-CD1 3.94Å; W509-F548 HydrophobicContact CH2-CD1 3.94Å; W509-F548 AromaticContact CH2-CD2 3.95Å; W509-F548 HydrophobicContact CH2-CD2 3.95Å; W509-F548 HydrophobicContact CH2-CE1 4.34Å; W509-F548 HydrophobicContact CH2-CE2 4.35Å; W509-F548 AromaticContact CH2-CG 3.74Å; W509-F548 HydrophobicContact CH2-CG 3.74Å; W509-F548 AromaticContact CZ2-CD1 3.81Å; W509-F548 HydrophobicContact CZ2-CD1 3.81Å; W509-F548 HydrophobicContact CZ2-CD2 4.25Å; W509-F548 AromaticContact CZ2-CE1 3.79Å; W509-F548 HydrophobicContact CZ2-CE1 3.79Å; W509-F548 HydrophobicContact CZ2-CE2 4.23Å; W509-F548 HydrophobicContact CZ2-CG 4.05Å; W509-F548 HydrophobicContact CZ2-CZ 4.02Å; M537-F548 HydrophobicContact SD-CE2 4.34Å; L542-F548 HydrophobicContact CD1-CE2 3.68Å; L542-F548 HydrophobicContact CD1-CZ 3.98Å; I546-F548 HydrophobicContact CG2-CE1 4.3Å; I546-F548 HydrophobicContact CG2-CE2 3.98Å; I546-F548 HydrophobicContact CG2-CZ 3.86Å; F548-V593 HydrophobicContact CD1-CG1 3.62Å; F548-V593 HydrophobicContact CE1-CG1 3.82Å; F548-R594 CarbonylContact C-O 3.58Å; F548-R594 WeakPolarHBondContact CA-O 3.29Å; F548-P595 HydrophobicContact CD1-CB 4.24Å; F548-P595 HydrophobicContact CE1-CB 3.97Å
549	D	87.9	Confident	75.6	Confident	31 Å²	31	76.3 Å²	76.3	17%	0.166	35%	0.35	C	S	.	.			trans	-108.9	56.5	177	-175.5	37.9	0	0	0	109.7	R551 R594 E596	D549-R551 VanDerWaalsContact CG-NH2 3.35Å; D549-R551 PolarHBondContact O-NH1 3.33Å; D549-R551 IonicContact OD1-CZ 2.69Å; D549-R551 IonicContact OD1-NH1 3.32Å; D549-R551 PolarHBondContact OD1-NH1 2.86Å; D549-R551 IonicContact OD1-NH2 2.68Å; D549-R551 PolarHBondContact OD1-NH2 3Å; D549-R551 IonicContact OD2-CZ 2.81Å; D549-R551 IonicContact OD2-NH1 2.65Å; D549-R551 PolarHBondContact OD2-NH1 3.19Å; D549-R551 VanDerWaalsContact OD2-NH1 3.16Å; D549-R551 IonicContact OD2-NH2 3.72Å; D549-R551 PolarHBondContact OD2-NH2 2.88Å; D549-R594 PolarHBondContact N-O 3.42Å; D549-R594 WeakPolarHBondContact O-CB 3.3Å; D549-R594 IonicContact OD2-NH1 3.17Å; D549-R594 PolarHBondContact OD2-NH1 2.88Å; D549-E596 HydrophobicContact CB-CG 3.69Å; D549-E596 WeakPolarHBondContact CB-OE1 3.47Å
550	N	91.4	Very high	76.1	Confident	9 Å²	9	74.7 Å²	74.7	5%	0.048	34%	0.338	C	S	.	.			trans	-60	156.8	-171.8	-62.4	-25.6	0	0	0	112.4	W509 L535 F567 A592 V593 R594	W509-N550 VanDerWaalsContact CZ3-ND2 3.33Å; W509-N550 WeakPolarHBondContact CZ3-ND2 3.26Å; L535-N550 HydrophobicContact CD2-CB 3.69Å; L535-N550 WeakPolarHBondContact CD2-ND2 3.44Å; N550-F567 HydrophobicContact CB-CD2 3.8Å; N550-F567 HydrophobicContact CB-CE2 4.37Å; N550-F567 HydrophobicContact CB-CG 4.41Å; N550-F567 PolarHBondContact O-N 2.02Å; N550-A592 WeakPolarHBondContact CA-O 3.36Å; N550-V593 VanDerWaalsContact OD1-CA 3.28Å; N550-V593 WeakPolarHBondContact OD1-CA 2.92Å; N550-R594 PolarHBondContact OD1-N 3.46Å
551	R	93.6	Very high	77.2	Confident	42 Å²	42	69 Å²	69	16%	0.158	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.1	179.4	-65.3	-66.3	-178.6	-90	-0.9	110.9	I443 D549 L553 I564 Q565 A592	I443-R551 HydrophobicContact CD1-CG 4.1Å; I443-R551 HydrophobicContact CG1-CG 4.32Å; D549-R551 VanDerWaalsContact CG-NH2 3.35Å; D549-R551 PolarHBondContact O-NH1 3.33Å; D549-R551 IonicContact OD1-CZ 2.69Å; D549-R551 IonicContact OD1-NH1 3.32Å; D549-R551 PolarHBondContact OD1-NH1 2.86Å; D549-R551 IonicContact OD1-NH2 2.68Å; D549-R551 PolarHBondContact OD1-NH2 3Å; D549-R551 IonicContact OD2-CZ 2.81Å; D549-R551 IonicContact OD2-NH1 2.65Å; D549-R551 PolarHBondContact OD2-NH1 3.19Å; D549-R551 VanDerWaalsContact OD2-NH1 3.16Å; D549-R551 IonicContact OD2-NH2 3.72Å; D549-R551 PolarHBondContact OD2-NH2 2.88Å; R551-L553 HydrophobicContact CB-CD1 3.87Å; R551-I564 HydrophobicContact CB-CG2 4.05Å; R551-I564 HydrophobicContact CG-CG2 4.21Å; R551-Q565 WeakPolarHBondContact CA-O 3.38Å; R551-A592 HydrophobicContact CB-CB 4.48Å; R551-A592 PolarHBondContact N-O 3.06Å; R551-A592 PolarHBondContact O-N 3.07Å
552	V	93.1	Very high	78.5	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.6	164.9	63.3	0	0	0	0	108.5	A533 I564 Q565 F567 A572 Y589 T590 F591	A533-V552 HydrophobicContact CB-CG1 4.37Å; A533-V552 HydrophobicContact CB-CG2 4.3Å; V552-I564 WeakPolarHBondContact O-CA 3.1Å; V552-Q565 HydrophobicContact CG1-CB 3.73Å; V552-Q565 HydrophobicContact CG1-CG 4.49Å; V552-Q565 PolarHBondContact N-O 2.89Å; V552-Q565 PolarHBondContact O-N 3.16Å; V552-F567 HydrophobicContact CB-CE2 3.74Å; V552-F567 HydrophobicContact CB-CZ 3.88Å; V552-F567 HydrophobicContact CG1-CE2 4.12Å; V552-F567 HydrophobicContact CG1-CZ 4.21Å; V552-A572 HydrophobicContact CG1-CB 3.68Å; V552-Y589 HydrophobicContact CG2-CD1 4.03Å; V552-T590 CarbonylContact C-O 3.57Å; V552-T590 WeakPolarHBondContact CA-O 3.34Å; V552-F591 HydrophobicContact CG2-CD1 4.47Å; V552-F591 HydrophobicContact CG2-CE1 4.45Å; V552-F591 HydrophobicContact CG2-CZ 4.49Å
553	L	93.2	Very high	79.8	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.3	-178.5	-68.6	59.3	0	0	0	106.9	V349 I443 T445 R551 I561 Q563 I564 Y589 T590 A592	V349-L553 HydrophobicContact CG1-CD2 3.64Å; V349-L553 HydrophobicContact CG2-CD2 4.14Å; I443-L553 HydrophobicContact CG2-CD1 3.81Å; I443-L553 HydrophobicContact CG2-CD2 3.91Å; I443-L553 HydrophobicContact CG2-CG 4.36Å; T445-L553 HydrophobicContact CG2-CD2 3.81Å; R551-L553 HydrophobicContact CB-CD1 3.87Å; L553-I561 HydrophobicContact CB-CG2 4.42Å; L553-I561 HydrophobicContact CD2-CD1 3.78Å; L553-Q563 WeakPolarHBondContact CA-O 3.44Å; L553-I564 HydrophobicContact CD1-CG2 4.24Å; L553-I564 HydrophobicContact CG-CD1 4.22Å; L553-I564 HydrophobicContact CG-CG1 4.1Å; L553-I564 HydrophobicContact CG-CG2 4.45Å; L553-Y589 WeakPolarHBondContact O-CA 3.49Å; L553-T590 PolarHBondContact N-O 3.11Å; L553-T590 PolarHBondContact O-N 3.26Å; L553-A592 HydrophobicContact CD1-CB 4.13Å
554	L	90.7	Very high	81.4	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.9	174	-73.3	79.1	0	0	0	107.8	I561 C562 Q563 I574 L578 Y587 I588 Y589	L554-I561 CarbonylContact O-C 3.54Å; L554-I561 WeakPolarHBondContact O-CA 3.46Å; L554-C562 PolarHBondContact O-N 3.2Å; L554-C562 PolarHBondContact O-SG 3.21Å; L554-Q563 HydrophobicContact CB-CB 4.25Å; L554-Q563 HydrophobicContact CD1-CB 4.39Å; L554-Q563 PolarHBondContact N-O 3Å; L554-I574 HydrophobicContact CD1-CG1 4.18Å; L554-I574 HydrophobicContact CD2-CG1 4.47Å; L554-I574 HydrophobicContact CD2-CG2 3.76Å; L554-L578 HydrophobicContact CD2-CD1 4.45Å; L554-L578 HydrophobicContact CD2-CD2 4.44Å; L554-Y587 HydrophobicContact CB-CD1 4.19Å; L554-Y587 HydrophobicContact CD2-CD1 4.17Å; L554-Y587 HydrophobicContact CD2-CG 4.31Å; L554-I588 WeakPolarHBondContact CA-O 3.43Å; L554-Y589 HydrophobicContact CD1-CD1 4.4Å; L554-Y589 HydrophobicContact CD1-CE1 4.31Å; L554-Y589 HydrophobicContact CD2-CE1 3.86Å; L554-Y589 HydrophobicContact CG-CD1 4.12Å; L554-Y589 HydrophobicContact CG-CE1 3.87Å
555	T	88.7	Confident	82.8	Confident	17 Å²	17	43.8 Å²	43.8	10%	0.104	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.4	179.6	-54.9	0	0	0	0	109.9	Y560 I561 Y587 I588	T555-Y560 WeakPolarHBondContact CA-O 3.35Å; T555-Y560 WeakPolarHBondContact CG2-O 3.48Å; T555-I561 WeakPolarHBondContact OG1-CG1 3.26Å; T555-Y587 WeakPolarHBondContact O-CA 3.1Å; T555-I588 PolarHBondContact N-O 3.14Å; T555-I588 PolarHBondContact O-N 3.44Å
556	C	84.4	Confident	83.9	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.007	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	127.6	176.4	-177	0	0	0	0	110.9	N558 K559 Y560 C582	C556-N558 PolarHBondContact O-N 2.72Å; C556-K559 PolarHBondContact O-N 3.09Å; C556-Y560 HydrophobicContact CB-CD2 4.34Å; C556-Y560 HydrophobicContact CB-CE2 3.83Å; C556-Y560 PolarHBondContact N-O 3.08Å; C556-C582 VanDerWaalsContact CA-SG 3.53Å; C556-C582 HydrophobicContact CB-CB 3.6Å; C556-C582 WeakPolarHBondContact CB-SG 3.49Å; C556-C582 WeakPolarHBondContact SG-CA 3.46Å; C556-C582 WeakPolarHBondContact SG-CB 3.49Å; C556-C582 CovalentContact SG-SG 2.03Å; C556-C582 PolarHBondContact SG-SG 3.5Å
557	Q	67.9	Low	84.7	Confident	86 Å²	86	41.8 Å²	41.8	40%	0.402	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	32.4	174.8	-63.6	-176.5	-12.8	0	0	115.7	K559 D584	Q557-K559 PolarHBondContact O-N 3.46Å; Q557-D584 PolarHBondContact NE2-OD2 2.95Å
558	N	62.9	Low	85	Confident	129 Å²	129	43.2 Å²	43.2	69%	0.69	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	20.3	-172.9	-81.1	-33.4	0	0	0	115.6	C556 I588	C556-N558 PolarHBondContact O-N 2.72Å; N558-I588 HydrophobicContact CB-CD1 4.46Å; N558-I588 WeakPolarHBondContact OD1-CD1 3.42Å
559	K	69.7	Low	84.7	Confident	131 Å²	131	48.8 Å²	48.8	57%	0.57	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-56.7	-176.4	-73.2	179.5	178.6	168.6	0	113.5	C556 Q557	C556-K559 PolarHBondContact O-N 3.09Å; Q557-K559 PolarHBondContact O-N 3.46Å
560	Y	82.3	Confident	84.5	Confident	44 Å²	44	51.1 Å²	51.1	17%	0.173	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	147	-173.4	52	-97.2	0	0	0	111.9	P287 N321 T555 C556	P287-Y560 HydrophobicContact CB-CD2 4.33Å; P287-Y560 HydrophobicContact CB-CE2 3.84Å; N321-Y560 WeakPolarHBondContact OD1-CA 3.39Å; N321-Y560 VanDerWaalsContact OD1-CB 3.27Å; N321-Y560 WeakPolarHBondContact OD1-CB 3.36Å; T555-Y560 WeakPolarHBondContact CA-O 3.35Å; T555-Y560 WeakPolarHBondContact CG2-O 3.48Å; C556-Y560 HydrophobicContact CB-CD2 4.34Å; C556-Y560 HydrophobicContact CB-CE2 3.83Å; C556-Y560 PolarHBondContact N-O 3.08Å
561	I	84.1	Confident	84.3	Confident	20 Å²	20	51.8 Å²	51.8	10%	0.103	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	120.3	173.5	-67.6	163.3	0	0	0	107.6	W320 N321 V349 L553 L554 T555 I564	W320-I561 HydrophobicContact CB-CB 4.36Å; W320-I561 HydrophobicContact CB-CG2 4.19Å; W320-I561 HydrophobicContact CE3-CG2 4.29Å; W320-I561 WeakPolarHBondContact O-CD1 3.35Å; N321-I561 PolarHBondContact ND2-O 3.38Å; N321-I561 PolarHBondContact OD1-N 3.25Å; V349-I561 HydrophobicContact CB-CD1 4.21Å; V349-I561 HydrophobicContact CG1-CD1 3.62Å; V349-I561 HydrophobicContact CG2-CD1 4.35Å; L553-I561 HydrophobicContact CB-CG2 4.42Å; L553-I561 HydrophobicContact CD2-CD1 3.78Å; L554-I561 CarbonylContact O-C 3.54Å; L554-I561 WeakPolarHBondContact O-CA 3.46Å; T555-I561 WeakPolarHBondContact OG1-CG1 3.26Å; I561-I564 HydrophobicContact CG2-CD1 4.35Å; I561-I564 HydrophobicContact CG2-CG1 3.88Å
562	C	84	Confident	84.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-24.4	-178.5	54.1	0	0	0	0	113.5	L554 Y580	L554-C562 PolarHBondContact O-N 3.2Å; L554-C562 PolarHBondContact O-SG 3.21Å; C562-Y580 WeakPolarHBondContact CB-O 3.24Å; C562-Y580 VanDerWaalsContact O-CD2 3.29Å; C562-Y580 WeakPolarHBondContact O-CD2 3.32Å
563	Q	87.9	Confident	83.7	Confident	26 Å²	26	52.3 Å²	52.3	12%	0.121	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	144.5	-179.6	-172.7	68.7	16	0	0	110.4	L553 L554 L578	L553-Q563 WeakPolarHBondContact CA-O 3.44Å; L554-Q563 HydrophobicContact CB-CB 4.25Å; L554-Q563 HydrophobicContact CD1-CB 4.39Å; L554-Q563 PolarHBondContact N-O 3Å; Q563-L578 HydrophobicContact CB-CD2 3.83Å; Q563-L578 HydrophobicContact CG-CD2 3.78Å
564	I	88.4	Confident	83.1	Confident	20 Å²	20	52.4 Å²	52.4	10%	0.103	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.2	168.1	-53.5	-170.9	0	0	0	108.1	W320 V349 I443 R551 V552 L553 I561	W320-I564 HydrophobicContact CB-CD1 4.38Å; W320-I564 HydrophobicContact CD2-CD1 3.71Å; W320-I564 HydrophobicContact CD2-CG1 3.79Å; W320-I564 HydrophobicContact CE3-CD1 4.49Å; W320-I564 HydrophobicContact CE3-CG1 4.11Å; W320-I564 HydrophobicContact CG-CD1 3.64Å; W320-I564 HydrophobicContact CG-CG1 4.22Å; W320-I564 HydrophobicContact CH2-CB 4.29Å; W320-I564 HydrophobicContact CH2-CG1 4.26Å; W320-I564 HydrophobicContact CZ2-CB 3.97Å; W320-I564 HydrophobicContact CZ2-CD1 4.22Å; W320-I564 HydrophobicContact CZ2-CG1 3.94Å; W320-I564 HydrophobicContact CZ3-CG1 4.35Å; V349-I564 HydrophobicContact CG2-CD1 3.52Å; I443-I564 HydrophobicContact CD1-CD1 3.8Å; I443-I564 HydrophobicContact CD1-CG2 4.06Å; R551-I564 HydrophobicContact CB-CG2 4.05Å; R551-I564 HydrophobicContact CG-CG2 4.21Å; V552-I564 WeakPolarHBondContact O-CA 3.1Å; L553-I564 HydrophobicContact CD1-CG2 4.24Å; L553-I564 HydrophobicContact CG-CD1 4.22Å; L553-I564 HydrophobicContact CG-CG1 4.1Å; L553-I564 HydrophobicContact CG-CG2 4.45Å; I561-I564 HydrophobicContact CG2-CD1 4.35Å; I561-I564 HydrophobicContact CG2-CG1 3.88Å
565	Q	89.8	Confident	82.4	Confident	48 Å²	48	56.6 Å²	56.6	22%	0.224	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.4	-180	-172.7	60.1	42.2	0	0	111	R551 V552 A572 H573	R551-Q565 WeakPolarHBondContact CA-O 3.38Å; V552-Q565 HydrophobicContact CG1-CB 3.73Å; V552-Q565 HydrophobicContact CG1-CG 4.49Å; V552-Q565 PolarHBondContact N-O 2.89Å; V552-Q565 PolarHBondContact O-N 3.16Å; Q565-A572 HydrophobicContact CG-CB 3.99Å; Q565-H573 VanDerWaalsContact CD-O 3.26Å; Q565-H573 WeakPolarHBondContact CG-O 3.4Å
566	A	88.9	Confident	81.3	Confident	35 Å²	35	60.8 Å²	60.8	29%	0.289	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	147	174.2	0	0	0	0	0	111.5
567	F	88.1	Confident	80.5	Confident	28 Å²	28	64.3 Å²	64.3	12%	0.123	33%	0.332	C	S	.	.			trans	-85	135.4	173.4	-75.2	-93	0	0	0	111.5	A533 L535 N550 V552 N570 M571 A572 F591	A533-F567 HydrophobicContact CB-CE1 4.42Å; A533-F567 HydrophobicContact CB-CZ 4.34Å; L535-F567 HydrophobicContact CB-CD1 4.11Å; L535-F567 HydrophobicContact CB-CE1 3.59Å; L535-F567 HydrophobicContact CB-CE2 4.27Å; L535-F567 HydrophobicContact CB-CZ 3.69Å; L535-F567 HydrophobicContact CD2-CE2 4.27Å; L535-F567 HydrophobicContact CD2-CZ 4.42Å; N550-F567 HydrophobicContact CB-CD2 3.8Å; N550-F567 HydrophobicContact CB-CE2 4.37Å; N550-F567 HydrophobicContact CB-CG 4.41Å; N550-F567 PolarHBondContact O-N 2.02Å; V552-F567 HydrophobicContact CB-CE2 3.74Å; V552-F567 HydrophobicContact CB-CZ 3.88Å; V552-F567 HydrophobicContact CG1-CE2 4.12Å; V552-F567 HydrophobicContact CG1-CZ 4.21Å; F567-N570 WeakPolarHBondContact CD1-O 3.37Å; F567-M571 CarbonylContact C-O 3.59Å; F567-M571 WeakPolarHBondContact CA-O 3.44Å; F567-A572 HydrophobicContact CD1-CB 3.67Å; F567-A572 HydrophobicContact CD2-CB 4.23Å; F567-A572 HydrophobicContact CE1-CB 3.61Å; F567-A572 HydrophobicContact CE2-CB 4.2Å; F567-A572 HydrophobicContact CG-CB 3.99Å; F567-A572 HydrophobicContact CZ-CB 3.89Å; F567-F591 HydrophobicContact CE1-CE1 4.45Å; F567-F591 HydrophobicContact CE2-CD1 4.38Å; F567-F591 AromaticContact CZ-CD1 3.67Å; F567-F591 HydrophobicContact CZ-CD1 3.67Å; F567-F591 AromaticContact CZ-CE1 3.82Å; F567-F591 HydrophobicContact CZ-CE1 3.82Å
568	R	84.3	Confident	80.6	Confident	195 Å²	195	61.3 Å²	61.3	74%	0.736	32%	0.318	S	S	*	.	B	Isolated β-bridge	trans	-115.4	119.8	167.9	-63.6	-176.7	-178.6	-178.9	1.3	108.2	N570 M571	R568-N570 PolarHBondContact O-N 3.35Å; R568-M571 PolarHBondContact N-O 2.83Å; R568-M571 PolarHBondContact O-N 3.43Å; R568-M571 VanDerWaalsContact O-O 3.11Å
569	N	77.2	Confident	81	Confident	161 Å²	161	58.1 Å²	58.1	86%	0.861	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	43	180	-57.1	-28.1	0	0	0	113.3	M571	N569-M571 VanDerWaalsContact C-N 3.29Å; N569-M571 PolarHBondContact O-N 3.43Å
570	N	84.9	Confident	81.2	Confident	80 Å²	80	52.3 Å²	52.3	43%	0.428	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	1.2	-177.3	-54.4	-22.7	0	0	0	116.5	K534 L535 F567 R568	K534-N570 CarbonylContact C-O 3.56Å; K534-N570 VanDerWaalsContact CA-O 3.27Å; K534-N570 WeakPolarHBondContact CA-O 3.31Å; L535-N570 PolarHBondContact N-O 2.86Å; L535-N570 WeakPolarHBondContact O-CB 3.37Å; F567-N570 WeakPolarHBondContact CD1-O 3.37Å; R568-N570 PolarHBondContact O-N 3.35Å
571	M	86.8	Confident	80.8	Confident	22 Å²	22	54 Å²	54	11%	0.108	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.7	176.8	-66.3	-64.7	-67.7	0	0	111.4	F514 V525 A532 A533 K534 F567 R568 N569	F514-M571 HydrophobicContact CE2-CE 4.33Å; V525-M571 HydrophobicContact CG1-CE 3.64Å; V525-M571 HydrophobicContact CG1-SD 3.72Å; A532-M571 HydrophobicContact CB-CE 4.31Å; A533-M571 CarbonylContact O-C 3.52Å; A533-M571 WeakPolarHBondContact O-CA 3.44Å; K534-M571 HydrophobicContact CB-SD 3.58Å; K534-M571 VanDerWaalsContact CB-SD 3.58Å; K534-M571 HydrophobicContact CD-SD 3.89Å; K534-M571 HydrophobicContact CG-SD 3.7Å; F567-M571 CarbonylContact C-O 3.59Å; F567-M571 WeakPolarHBondContact CA-O 3.44Å; R568-M571 PolarHBondContact N-O 2.83Å; R568-M571 PolarHBondContact O-N 3.43Å; R568-M571 VanDerWaalsContact O-O 3.11Å; N569-M571 VanDerWaalsContact C-N 3.29Å; N569-M571 PolarHBondContact O-N 3.43Å
572	A	88.4	Confident	80.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119	170.1	0	0	0	0	0	108.6	A532 A533 V552 Q565 F567	A532-A572 WeakPolarHBondContact CA-O 3.41Å; A533-A572 HydrophobicContact CB-CB 4.29Å; A533-A572 PolarHBondContact N-O 2.98Å; A533-A572 PolarHBondContact O-N 2.83Å; V552-A572 HydrophobicContact CG1-CB 3.68Å; Q565-A572 HydrophobicContact CG-CB 3.99Å; F567-A572 HydrophobicContact CD1-CB 3.67Å; F567-A572 HydrophobicContact CD2-CB 4.23Å; F567-A572 HydrophobicContact CE1-CB 3.61Å; F567-A572 HydrophobicContact CE2-CB 4.2Å; F567-A572 HydrophobicContact CG-CB 3.99Å; F567-A572 HydrophobicContact CZ-CB 3.89Å
573	H	84.8	Confident	79.5	Confident	54 Å²	54	57.6 Å²	57.6	25%	0.25	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	117.9	176.5	-63.6	-61.4	0	0	0	108.2	S528 S529 Q565	S528-H573 PolarHBondContact OG-CD2 2.89Å; S528-H573 PolarHBondContact OG-CE1 2.64Å; S528-H573 PolarHBondContact OG-ND1 2.97Å; S528-H573 VanDerWaalsContact OG-ND1 3.1Å; S528-H573 PolarHBondContact OG-NE2 3.18Å; S529-H573 WeakPolarHBondContact OG-CB 3.45Å; Q565-H573 VanDerWaalsContact CD-O 3.26Å; Q565-H573 WeakPolarHBondContact CG-O 3.4Å
574	I	81.9	Confident	78.7	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-92.7	126.5	180	-62.1	135.4	0	0	0	107.2	S529 P531 A533 L554 L578 Y589	S529-I574 PolarHBondContact OG-O 2.05Å; P531-I574 HydrophobicContact CB-CD1 4.25Å; P531-I574 HydrophobicContact CG-CB 4.12Å; P531-I574 HydrophobicContact CG-CD1 4.23Å; P531-I574 HydrophobicContact CG-CG2 4.12Å; P531-I574 WeakPolarHBondContact O-CB 3.4Å; P531-I574 PolarHBondContact O-N 3.16Å; A533-I574 HydrophobicContact CB-CD1 4.42Å; L554-I574 HydrophobicContact CD1-CG1 4.18Å; L554-I574 HydrophobicContact CD2-CG1 4.47Å; L554-I574 HydrophobicContact CD2-CG2 3.76Å; I574-L578 HydrophobicContact CG2-CD2 3.87Å; I574-Y589 HydrophobicContact CD1-CD1 4.27Å; I574-Y589 HydrophobicContact CD1-CE1 3.52Å
575	D	74.9	Confident	77.8	Confident	90 Å²	90	65 Å²	65	48%	0.481	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-70.2	126.7	174.2	-166.3	-27.1	0	0	0	109	A577 L578	D575-A577 PolarHBondContact O-N 3.04Å; D575-A577 WeakPolarHBondContact OD1-CB 3.36Å; D575-A577 PolarHBondContact OD1-N 3.23Å; D575-L578 VanDerWaalsContact O-CD2 3.28Å; D575-L578 WeakPolarHBondContact O-CD2 3.07Å
576	P	65.3	Low	77.3	Confident	104 Å²	104	66.3 Å²	66.3	68%	0.675	37%	0.369	S	S	*	.	S	Bend	trans	-61.7	-25.7	172.7	24	-32.9	0	0	0	112.7	L578	P576-L578 PolarHBondContact O-N 3.49Å
577	A	68.6	Low	77.1	Confident	76 Å²	76	65.5 Å²	65.5	63%	0.628	36%	0.358	S	S	*	.	S	Bend	trans	-83.3	64.5	173.3	0	0	0	0	0	111.2	D575	D575-A577 PolarHBondContact O-N 3.04Å; D575-A577 WeakPolarHBondContact OD1-CB 3.36Å; D575-A577 PolarHBondContact OD1-N 3.23Å
578	L	70.3	Confident	77.1	Confident	22 Å²	22	65 Å²	65	12%	0.115	36%	0.357	C	S	.	.			trans	-58.9	142.3	177.9	-64.5	177.4	0	0	0	111.6	L554 Q563 I574 D575 P576 Y580 Y587	L554-L578 HydrophobicContact CD2-CD1 4.45Å; L554-L578 HydrophobicContact CD2-CD2 4.44Å; Q563-L578 HydrophobicContact CB-CD2 3.83Å; Q563-L578 HydrophobicContact CG-CD2 3.78Å; I574-L578 HydrophobicContact CG2-CD2 3.87Å; D575-L578 VanDerWaalsContact O-CD2 3.28Å; D575-L578 WeakPolarHBondContact O-CD2 3.07Å; P576-L578 PolarHBondContact O-N 3.49Å; L578-Y580 PolarHBondContact O-N 2.8Å; L578-Y587 HydrophobicContact CD1-CD1 4.44Å; L578-Y587 HydrophobicContact CD1-CE1 3.51Å; L578-Y587 HydrophobicContact CD1-CE2 4.43Å; L578-Y587 WeakPolarHBondContact CD1-OH 3.2Å
579	V	70.1	Confident	77.4	Confident	63 Å²	63	56.1 Å²	56.1	38%	0.382	32%	0.323	S	S	.	.	S	Bend	trans	-58.5	-39.1	176	-177.4	0	0	0	0	110.5
580	Y	75.4	Confident	78.1	Confident	8 Å²	8	49.3 Å²	49.3	3%	0.031	29%	0.288	C	S	.	.	S	Bend	trans	-128.6	89.2	178	-52.4	-57.5	0	0	0	110	S283 L286 P287 Y317 C562 L578	S283-Y580 VanDerWaalsContact O-CE1 3.29Å; S283-Y580 WeakPolarHBondContact O-CE1 2.99Å; L286-Y580 HydrophobicContact CB-CE1 4.35Å; P287-Y580 HydrophobicContact CG-CD1 3.37Å; P287-Y580 HydrophobicContact CG-CE1 4.16Å; P287-Y580 HydrophobicContact CG-CG 3.62Å; Y317-Y580 HydrophobicContact CD2-CD2 4.1Å; Y317-Y580 AromaticContact CD2-CE2 3.71Å; Y317-Y580 HydrophobicContact CD2-CE2 3.71Å; Y317-Y580 AromaticContact CD2-CZ 3.96Å; Y317-Y580 HydrophobicContact CE2-CD2 4.48Å; Y317-Y580 HydrophobicContact CE2-CE2 4.5Å; C562-Y580 WeakPolarHBondContact CB-O 3.24Å; C562-Y580 VanDerWaalsContact O-CD2 3.29Å; C562-Y580 WeakPolarHBondContact O-CD2 3.32Å; L578-Y580 PolarHBondContact O-N 2.8Å
581	P	72	Confident	78.5	Confident	80 Å²	80	45.5 Å²	45.5	52%	0.519	27%	0.267	S	S	.	.			trans	-66.8	142.5	-178.4	27	-33.6	0	0	0	111.5
582	C	74.1	Confident	78.8	Confident	5 Å²	5	44.6 Å²	44.6	3%	0.034	26%	0.263	C	S	.	.			trans	-81.8	129.9	174.5	-172.4	0	0	0	0	109.8	C556 D584 D585 Y587	C556-C582 VanDerWaalsContact CA-SG 3.53Å; C556-C582 HydrophobicContact CB-CB 3.6Å; C556-C582 WeakPolarHBondContact CB-SG 3.49Å; C556-C582 WeakPolarHBondContact SG-CA 3.46Å; C556-C582 WeakPolarHBondContact SG-CB 3.49Å; C556-C582 CovalentContact SG-SG 2.03Å; C556-C582 PolarHBondContact SG-SG 3.5Å; C582-D584 PolarHBondContact O-N 3.17Å; C582-D584 VanDerWaalsContact O-N 3.14Å; C582-D585 PolarHBondContact O-N 3.2Å; C582-D585 VanDerWaalsContact O-N 3.17Å; C582-Y587 HydrophobicContact CB-CD1 4Å; C582-Y587 HydrophobicContact CB-CE1 3.28Å; C582-Y587 HydrophobicContact CB-CE2 4.29Å; C582-Y587 VanDerWaalsContact CB-CZ 3.44Å; C582-Y587 WeakPolarHBondContact CB-OH 3.3Å; C582-Y587 PolarHBondContact N-OH 2.85Å
583	P	67.8	Low	78.8	Confident	91 Å²	91	44.7 Å²	44.7	59%	0.591	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-31.6	-176	-27.9	35.3	0	0	0	115.3
584	D	70.5	Confident	78.9	Confident	86 Å²	86	43.1 Å²	43.1	46%	0.46	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	3.5	-176.6	-61.3	-19.2	0	0	0	113.4	Q557 C582 N586	Q557-D584 PolarHBondContact NE2-OD2 2.95Å; C582-D584 PolarHBondContact O-N 3.17Å; C582-D584 VanDerWaalsContact O-N 3.14Å; D584-N586 HydrophobicContact CB-CB 4.4Å; D584-N586 PolarHBondContact O-N 2.88Å
585	D	70.6	Confident	78.9	Confident	115 Å²	115	43.1 Å²	43.1	62%	0.615	26%	0.256	S	S	*	.			trans	51.1	19.1	-171.1	-79.2	-33.4	0	0	0	115.6	C582 Y587	C582-D585 PolarHBondContact O-N 3.2Å; C582-D585 VanDerWaalsContact O-N 3.17Å; D585-Y587 HydrophobicContact CB-CE2 4.11Å; D585-Y587 WeakPolarHBondContact O-CD2 3.47Å; D585-Y587 WeakPolarHBondContact O-CE2 3.42Å; D585-Y587 PolarHBondContact O-N 3.26Å; D585-Y587 WeakPolarHBondContact OD1-CE2 2.98Å; D585-Y587 PolarHBondContact OD1-OH 2.65Å
586	N	78.3	Confident	79	Confident	75 Å²	75	41.9 Å²	41.9	40%	0.401	25%	0.247	S	C	.	.			trans	-91.8	92.2	176.5	-75.1	-43	0	0	0	110.4	D584	D584-N586 HydrophobicContact CB-CB 4.4Å; D584-N586 PolarHBondContact O-N 2.88Å
587	Y	84.9	Confident	79.3	Confident	19 Å²	19	38.3 Å²	38.3	8%	0.075	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	142.4	179.2	-56.7	-84.1	0	0	0	112.3	S455 L554 T555 L578 C582 D585	S455-Y587 VanDerWaalsContact CB-O 3.31Å; S455-Y587 WeakPolarHBondContact CB-O 3.28Å; S455-Y587 PolarHBondContact N-O 3.39Å; S455-Y587 PolarHBondContact OG-O 3.06Å; L554-Y587 HydrophobicContact CB-CD1 4.19Å; L554-Y587 HydrophobicContact CD2-CD1 4.17Å; L554-Y587 HydrophobicContact CD2-CG 4.31Å; T555-Y587 WeakPolarHBondContact O-CA 3.1Å; L578-Y587 HydrophobicContact CD1-CD1 4.44Å; L578-Y587 HydrophobicContact CD1-CE1 3.51Å; L578-Y587 HydrophobicContact CD1-CE2 4.43Å; L578-Y587 WeakPolarHBondContact CD1-OH 3.2Å; C582-Y587 HydrophobicContact CB-CD1 4Å; C582-Y587 HydrophobicContact CB-CE1 3.28Å; C582-Y587 HydrophobicContact CB-CE2 4.29Å; C582-Y587 VanDerWaalsContact CB-CZ 3.44Å; C582-Y587 WeakPolarHBondContact CB-OH 3.3Å; C582-Y587 PolarHBondContact N-OH 2.85Å; D585-Y587 HydrophobicContact CB-CE2 4.11Å; D585-Y587 WeakPolarHBondContact O-CD2 3.47Å; D585-Y587 WeakPolarHBondContact O-CE2 3.42Å; D585-Y587 PolarHBondContact O-N 3.26Å; D585-Y587 WeakPolarHBondContact OD1-CE2 2.98Å; D585-Y587 PolarHBondContact OD1-OH 2.65Å
588	I	88.6	Confident	79	Confident	18 Å²	18	38.3 Å²	38.3	9%	0.092	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.4	164.9	-66.8	167.7	0	0	0	107.9	A452 D454 L554 T555 N558	A452-I588 HydrophobicContact CB-CG2 4Å; D454-I588 HydrophobicContact CB-CG1 4.43Å; L554-I588 WeakPolarHBondContact CA-O 3.43Å; T555-I588 PolarHBondContact N-O 3.14Å; T555-I588 PolarHBondContact O-N 3.44Å; N558-I588 HydrophobicContact CB-CD1 4.46Å; N558-I588 WeakPolarHBondContact OD1-CD1 3.42Å
589	Y	90.6	Very high	79.5	Confident	7 Å²	7	39.2 Å²	39.2	3%	0.027	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	102.5	-177.8	-67.7	-94.5	0	0	0	109.1	A452 I453 V513 V552 L553 L554 I574 F591	A452-Y589 CarbonylContact C-O 3.52Å; A452-Y589 WeakPolarHBondContact CA-O 3.05Å; I453-Y589 PolarHBondContact N-O 3.37Å; I453-Y589 PolarHBondContact O-N 3.38Å; V513-Y589 HydrophobicContact CG1-CD1 4.4Å; V513-Y589 HydrophobicContact CG1-CD2 4Å; V513-Y589 HydrophobicContact CG1-CE1 4.3Å; V513-Y589 HydrophobicContact CG1-CE2 3.89Å; V513-Y589 HydrophobicContact CG1-CG 4.25Å; V513-Y589 HydrophobicContact CG2-CD1 4.19Å; V513-Y589 HydrophobicContact CG2-CD2 3.99Å; V513-Y589 HydrophobicContact CG2-CG 3.7Å; V552-Y589 HydrophobicContact CG2-CD1 4.03Å; L553-Y589 WeakPolarHBondContact O-CA 3.49Å; L554-Y589 HydrophobicContact CD1-CD1 4.4Å; L554-Y589 HydrophobicContact CD1-CE1 4.31Å; L554-Y589 HydrophobicContact CD2-CE1 3.86Å; L554-Y589 HydrophobicContact CG-CD1 4.12Å; L554-Y589 HydrophobicContact CG-CE1 3.87Å; I574-Y589 HydrophobicContact CD1-CD1 4.27Å; I574-Y589 HydrophobicContact CD1-CE1 3.52Å; Y589-F591 WeakPolarHBondContact O-CD2 3.31Å
590	T	92.3	Very high	80	Confident	19 Å²	19	37.9 Å²	37.9	12%	0.117	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	112.2	175.3	-58.4	0	0	0	0	109.4	T451 V552 L553	T451-T590 CarbonylContact O-C 3.58Å; T451-T590 WeakPolarHBondContact O-CA 2.99Å; V552-T590 CarbonylContact C-O 3.57Å; V552-T590 WeakPolarHBondContact CA-O 3.34Å; L553-T590 PolarHBondContact N-O 3.11Å; L553-T590 PolarHBondContact O-N 3.26Å
591	F	92.4	Very high	80.2	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	109.6	177.2	-65.6	-102.8	0	0	0	108.7	S450 T451 I453 A511 N512 V513 A533 L535 V552 F567 Y589	S450-F591 CarbonylContact C-O 3.6Å; S450-F591 WeakPolarHBondContact CA-O 3.33Å; S450-F591 VanDerWaalsContact CB-O 3.23Å; S450-F591 WeakPolarHBondContact CB-O 3.28Å; T451-F591 HydrophobicContact CG2-CB 4.15Å; T451-F591 HydrophobicContact CG2-CD2 4.44Å; T451-F591 PolarHBondContact N-O 3.07Å; T451-F591 PolarHBondContact O-N 3.09Å; I453-F591 HydrophobicContact CB-CE2 4.32Å; I453-F591 HydrophobicContact CD1-CD2 4.36Å; I453-F591 HydrophobicContact CD1-CE2 3.71Å; I453-F591 HydrophobicContact CD1-CZ 4.33Å; I453-F591 HydrophobicContact CG1-CD2 4.33Å; I453-F591 HydrophobicContact CG1-CE2 3.92Å; A511-F591 HydrophobicContact CB-CB 4.33Å; A511-F591 HydrophobicContact CB-CD1 3.82Å; A511-F591 HydrophobicContact CB-CD2 3.84Å; A511-F591 HydrophobicContact CB-CE1 3.98Å; A511-F591 HydrophobicContact CB-CE2 4.04Å; A511-F591 HydrophobicContact CB-CG 3.74Å; A511-F591 HydrophobicContact CB-CZ 4.1Å; N512-F591 WeakPolarHBondContact O-CZ 3.47Å; V513-F591 HydrophobicContact CG2-CE2 3.78Å; V513-F591 HydrophobicContact CG2-CZ 3.63Å; A533-F591 HydrophobicContact CB-CE1 3.77Å; A533-F591 HydrophobicContact CB-CZ 3.86Å; L535-F591 HydrophobicContact CB-CD1 4.11Å; L535-F591 HydrophobicContact CD1-CB 4.45Å; L535-F591 HydrophobicContact CD1-CD1 4.23Å; L535-F591 HydrophobicContact CD2-CB 4.5Å; L535-F591 HydrophobicContact CD2-CD1 4.46Å; V552-F591 HydrophobicContact CG2-CD1 4.47Å; V552-F591 HydrophobicContact CG2-CE1 4.45Å; V552-F591 HydrophobicContact CG2-CZ 4.49Å; F567-F591 HydrophobicContact CE1-CE1 4.45Å; F567-F591 HydrophobicContact CE2-CD1 4.38Å; F567-F591 AromaticContact CZ-CD1 3.67Å; F567-F591 HydrophobicContact CZ-CD1 3.67Å; F567-F591 AromaticContact CZ-CE1 3.82Å; F567-F591 HydrophobicContact CZ-CE1 3.82Å; Y589-F591 WeakPolarHBondContact O-CD2 3.31Å
592	A	92.2	Very high	80.7	Confident	2 Å²	2	37.2 Å²	37.2	2%	0.017	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.7	177.3	0	0	0	0	0	110.4	I443 N550 R551 L553	I443-A592 HydrophobicContact CG2-CB 4.05Å; N550-A592 WeakPolarHBondContact CA-O 3.36Å; R551-A592 HydrophobicContact CB-CB 4.48Å; R551-A592 PolarHBondContact N-O 3.06Å; R551-A592 PolarHBondContact O-N 3.07Å; L553-A592 HydrophobicContact CD1-CB 4.13Å
593	V	89.2	Confident	81.1	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.018	21%	0.212	C	C	.	.			trans	-85.9	127.1	174.3	178.7	0	0	0	0	108.8	W449 F492 T494 W509 L535 F548 N550	W449-V593 PolarHBondContact O-N 2.93Å; F492-V593 HydrophobicContact CE2-CG2 4.13Å; F492-V593 HydrophobicContact CZ-CG2 3.78Å; T494-V593 HydrophobicContact CG2-CB 4.1Å; T494-V593 HydrophobicContact CG2-CG1 4.14Å; T494-V593 HydrophobicContact CG2-CG2 4.11Å; W509-V593 HydrophobicContact CD2-CG2 3.91Å; W509-V593 HydrophobicContact CE3-CG2 4.44Å; W509-V593 HydrophobicContact CG-CG2 4.15Å; W509-V593 HydrophobicContact CH2-CG1 4.19Å; W509-V593 HydrophobicContact CZ2-CG1 3.52Å; W509-V593 HydrophobicContact CZ2-CG2 4.24Å; L535-V593 HydrophobicContact CD2-CG2 4.32Å; F548-V593 HydrophobicContact CD1-CG1 3.62Å; F548-V593 HydrophobicContact CE1-CG1 3.82Å; N550-V593 VanDerWaalsContact OD1-CA 3.28Å; N550-V593 WeakPolarHBondContact OD1-CA 2.92Å
594	R	87.1	Confident	82	Confident	20 Å²	20	35.7 Å²	35.7	8%	0.075	19%	0.187	C	C	.	.			trans	-130.6	101.2	-175	-169.6	-178.4	179.2	-133.9	-1.7	110.4	P441 F548 D549 N550	P441-R594 HydrophobicContact CB-CG 4.4Å; P441-R594 HydrophobicContact CG-CG 3.75Å; P441-R594 PolarHBondContact O-NE 3.12Å; P441-R594 PolarHBondContact O-NH2 2.87Å; F548-R594 CarbonylContact C-O 3.58Å; F548-R594 WeakPolarHBondContact CA-O 3.29Å; D549-R594 PolarHBondContact N-O 3.42Å; D549-R594 WeakPolarHBondContact O-CB 3.3Å; D549-R594 IonicContact OD2-NH1 3.17Å; D549-R594 PolarHBondContact OD2-NH1 2.88Å; N550-R594 PolarHBondContact OD1-N 3.46Å
595	P	80.9	Confident	82.8	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.013	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	135.6	178.2	31.3	-36.5	0	0	0	110.7	P441 W449 I546 R547 F548 F597	P441-P595 WeakPolarHBondContact CD-O 3.42Å; P441-P595 HydrophobicContact CG-CG 4.15Å; P441-P595 WeakPolarHBondContact CG-O 3.48Å; W449-P595 HydrophobicContact CH2-CG 4.33Å; W449-P595 HydrophobicContact CZ3-CG 3.88Å; I546-P595 HydrophobicContact CG2-CB 4.01Å; R547-P595 CarbonylContact O-C 3.58Å; F548-P595 HydrophobicContact CD1-CB 4.24Å; F548-P595 HydrophobicContact CE1-CB 3.97Å; P595-F597 HydrophobicContact CB-CE1 4.22Å; P595-F597 HydrophobicContact CB-CZ 3.97Å; P595-F597 HydrophobicContact CG-CE2 4.31Å; P595-F597 HydrophobicContact CG-CZ 3.9Å
596	E	77.4	Confident	83.8	Confident	64 Å²	64	25.8 Å²	25.8	30%	0.299	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.9	166	-70.2	-170	156.9	0	0	108	R547 D549	R547-E596 HydrophobicContact CB-CB 4.21Å; R547-E596 PolarHBondContact N-O 2.86Å; R547-E596 PolarHBondContact O-N 3.38Å; R547-E596 VanDerWaalsContact O-O 3.13Å; D549-E596 HydrophobicContact CB-CG 3.69Å; D549-E596 WeakPolarHBondContact CB-OE1 3.47Å
597	F	71.6	Confident	84.2	Confident	29 Å²	29	21.7 Å²	21.7	13%	0.127	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	117.9	-179.8	-61.8	-62.7	0	0	0	108.8	M387 F420 Y424 I499 I546 P595	M387-F597 HydrophobicContact CE-CE2 4.22Å; F420-F597 HydrophobicContact CE1-CE2 4.47Å; F420-F597 HydrophobicContact CE2-CD2 4.45Å; F420-F597 AromaticContact CZ-CD2 3.85Å; F420-F597 HydrophobicContact CZ-CD2 3.85Å; F420-F597 HydrophobicContact CZ-CE1 4.5Å; F420-F597 AromaticContact CZ-CE2 3.77Å; F420-F597 HydrophobicContact CZ-CE2 3.77Å; F420-F597 HydrophobicContact CZ-CG 4.26Å; F420-F597 HydrophobicContact CZ-CZ 4.12Å; Y424-F597 HydrophobicContact CE1-CD1 4.42Å; Y424-F597 HydrophobicContact CE2-CB 3.66Å; Y424-F597 AromaticContact CE2-CD1 3.74Å; Y424-F597 HydrophobicContact CE2-CD1 3.74Å; Y424-F597 AromaticContact CE2-CG 3.84Å; Y424-F597 HydrophobicContact CE2-CG 3.84Å; Y424-F597 AromaticContact CZ-CD1 3.65Å; Y424-F597 WeakPolarHBondContact OH-CA 2.99Å; Y424-F597 WeakPolarHBondContact OH-CB 3.1Å; I499-F597 HydrophobicContact CD1-CD1 4.05Å; I499-F597 HydrophobicContact CD1-CE1 3.13Å; I499-F597 HydrophobicContact CD1-CE2 4.22Å; I499-F597 HydrophobicContact CD1-CZ 3.23Å; I546-F597 HydrophobicContact CD1-CE1 4.34Å; I546-F597 HydrophobicContact CG1-CD1 4.29Å; P595-F597 HydrophobicContact CB-CE1 4.22Å; P595-F597 HydrophobicContact CB-CZ 3.97Å; P595-F597 HydrophobicContact CG-CE2 4.31Å; P595-F597 HydrophobicContact CG-CZ 3.9Å
598	V	63.6	Low	84.2	Confident	77 Å²	77	21.9 Å²	21.9	47%	0.467	11%	0.114	S	C	.	.			trans	-116.6	0	-170.7	-174.4	0	0	0	0	112.3	K429 N545 R547	K429-V598 WeakPolarHBondContact CD-OXT 3.45Å; N545-V598 PolarHBondContact O-N 2.95Å; N545-V598 VanDerWaalsContact O-N 3.17Å; R547-V598 HydrophobicContact CB-CG2 3.71Å

Retrieved 598 of 598 residues in 955.3 ms (Link to these results)

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