A0A087X851_POEFO Loading...

von Willebrand factor A domain containing 2

AlphaFold DB , UniProt , Accession A0A087X851, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 794 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	49.5	Very low	44.6	Very low	222 Å²	222	135.7 Å²	135.7	100%	1.094	66%	0.664	S	S	*	*				0	23.7	0	-69.8	-174.6	74.1	0	0	114.9
2	H	45.3	Very low	44.4	Very low	167 Å²	167	132.4 Å²	132.4	77%	0.773	65%	0.649	S	S	*	*			trans	-138.8	4.7	171.3	-117.8	46.1	0	0	0	113.9
3	R	38.6	Very low	43.8	Very low	218 Å²	218	133.8 Å²	133.8	82%	0.823	65%	0.65	S	S	*	*	S	Bend	trans	-109.6	-13.9	179.9	-136.4	172.6	174.3	-179.4	-3.3	113.4	T7	R3-T7 PolarHBondContact O-OG1 3.1Å; R3-T7 VanDerWaalsContact O-OG1 3.13Å
4	D	46.6	Very low	43.4	Very low	120 Å²	120	134.3 Å²	134.3	64%	0.642	66%	0.656	S	S	*	*	H	α-helix	trans	-93.4	-10.2	177.6	-57.8	-51.1	0	0	0	113.4	V8	D4-V8 WeakPolarHBondContact O-CG2 3.46Å
5	M	42.5	Very low	43.1	Very low	133 Å²	133	134.4 Å²	134.4	66%	0.655	66%	0.66	S	S	*	*	H	α-helix	trans	-89.5	-23.5	176.3	-122	-169.2	83.1	0	0	113.1	L9	M5-L9 PolarHBondContact O-N 2.72Å; M5-L9 VanDerWaalsContact O-N 3.15Å
6	I	47.1	Very low	42.7	Very low	109 Å²	109	134.2 Å²	134.2	56%	0.559	66%	0.662	S	S	*	*	H	α-helix	trans	-82.6	-33.6	-179.8	-63.6	174.4	0	0	0	110.8	L9 L10	I6-L9 PolarHBondContact O-N 2.95Å; I6-L10 HydrophobicContact CG2-CD1 3.87Å; I6-L10 WeakPolarHBondContact O-CB 3.48Å; I6-L10 WeakPolarHBondContact O-CD1 3.49Å; I6-L10 PolarHBondContact O-N 3.12Å
7	T	44.8	Very low	42.1	Very low	84 Å²	84	137.3 Å²	137.3	52%	0.515	67%	0.674	S	S	.	*	H	α-helix	trans	-70.8	-33.6	173.8	22.3	0	0	0	0	112.6	R3 F11	R3-T7 PolarHBondContact O-OG1 3.1Å; R3-T7 VanDerWaalsContact O-OG1 3.13Å; T7-F11 PolarHBondContact O-N 3.11Å; T7-F11 VanDerWaalsContact O-N 3.1Å
8	V	48.1	Very low	41.9	Very low	83 Å²	83	136.4 Å²	136.4	50%	0.503	68%	0.678	S	S	.	*	H	α-helix	trans	-74.1	-37.2	173.5	177	0	0	0	0	111.1	D4 F11 I12	D4-V8 WeakPolarHBondContact O-CG2 3.46Å; V8-F11 PolarHBondContact O-N 3.34Å; V8-I12 HydrophobicContact CG1-CD1 3.76Å; V8-I12 HydrophobicContact CG1-CG1 4.49Å; V8-I12 WeakPolarHBondContact O-CB 3.28Å; V8-I12 VanDerWaalsContact O-CG1 3.24Å; V8-I12 WeakPolarHBondContact O-CG1 3.41Å; V8-I12 PolarHBondContact O-N 2.95Å
9	L	42.3	Very low	41.6	Very low	97 Å²	97	135.6 Å²	135.6	51%	0.508	68%	0.681	S	S	.	*	H	α-helix	trans	-68.1	-36.9	173.5	-119.7	86.1	0	0	0	113.1	M5 I6 I12 F13	M5-L9 PolarHBondContact O-N 2.72Å; M5-L9 VanDerWaalsContact O-N 3.15Å; I6-L9 PolarHBondContact O-N 2.95Å; L9-I12 PolarHBondContact O-N 3.48Å; L9-F13 WeakPolarHBondContact O-CB 3.5Å; L9-F13 PolarHBondContact O-N 3.32Å
10	L	43.7	Very low	40.9	Very low	105 Å²	105	137.9 Å²	137.9	55%	0.55	69%	0.689	S	S	.	*	H	α-helix	trans	-68.2	-34.4	174.4	-104.6	113.9	0	0	0	112.2	I6 L14	I6-L10 HydrophobicContact CG2-CD1 3.87Å; I6-L10 WeakPolarHBondContact O-CB 3.48Å; I6-L10 WeakPolarHBondContact O-CD1 3.49Å; I6-L10 PolarHBondContact O-N 3.12Å; L10-L14 WeakPolarHBondContact O-CB 3.29Å; L10-L14 PolarHBondContact O-N 3.19Å; L10-L14 VanDerWaalsContact O-N 3.08Å
11	F	41.7	Very low	40.5	Very low	155 Å²	155	134.1 Å²	134.1	68%	0.68	68%	0.68	S	S	*	*	H	α-helix	trans	-70.8	-33.9	174.2	-113.6	-93.3	0	0	0	112.5	T7 V8	T7-F11 PolarHBondContact O-N 3.11Å; T7-F11 VanDerWaalsContact O-N 3.1Å; V8-F11 PolarHBondContact O-N 3.34Å
12	I	42.5	Very low	39.7	Very low	96 Å²	96	126.1 Å²	126.1	49%	0.492	65%	0.649	S	S	.	*	H	α-helix	trans	-77.4	-33.8	177.2	-66.2	169.3	0	0	0	111.5	V8 L9 L15	V8-I12 HydrophobicContact CG1-CD1 3.76Å; V8-I12 HydrophobicContact CG1-CG1 4.49Å; V8-I12 WeakPolarHBondContact O-CB 3.28Å; V8-I12 VanDerWaalsContact O-CG1 3.24Å; V8-I12 WeakPolarHBondContact O-CG1 3.41Å; V8-I12 PolarHBondContact O-N 2.95Å; L9-I12 PolarHBondContact O-N 3.48Å; I12-L15 PolarHBondContact O-N 3.45Å
13	F	37.1	Very low	39.1	Very low	151 Å²	151	118.7 Å²	118.7	66%	0.662	62%	0.615	S	S	*	*	H	α-helix	trans	-74.9	-24	173.9	-109.4	-91.9	0	0	0	113.9	L9 L15	L9-F13 WeakPolarHBondContact O-CB 3.5Å; L9-F13 PolarHBondContact O-N 3.32Å; F13-L15 VanDerWaalsContact C-N 3.25Å; F13-L15 PolarHBondContact O-N 3.21Å
14	L	38.5	Very low	39.2	Very low	140 Å²	140	108.9 Å²	108.9	73%	0.733	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-11.6	170.7	-94.6	151.6	0	0	0	113.5	L10	L10-L14 WeakPolarHBondContact O-CB 3.29Å; L10-L14 PolarHBondContact O-N 3.19Å; L10-L14 VanDerWaalsContact O-N 3.08Å
15	L	38.9	Very low	38.8	Very low	136 Å²	136	104.4 Å²	104.4	71%	0.712	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	-3.2	177.6	-82.7	160.3	0	0	0	114	I12 F13	I12-L15 PolarHBondContact O-N 3.45Å; F13-L15 VanDerWaalsContact C-N 3.25Å; F13-L15 PolarHBondContact O-N 3.21Å
16	L	36.4	Very low	38.5	Very low	131 Å²	131	99.2 Å²	99.2	69%	0.686	53%	0.529	S	S	*	.	S	Bend	trans	-138	68.7	-179.7	-87.7	153.5	0	0	0	112.1
17	Q	32.4	Very low	38	Very low	187 Å²	187	94.9 Å²	94.9	87%	0.874	51%	0.507	S	S	*	.			trans	-147.3	93.8	141	-77.9	-137.3	-24.2	0	0	109.4
18	V	38.8	Very low	37.7	Very low	122 Å²	122	95 Å²	95	74%	0.739	50%	0.502	S	S	*	.			trans	-75.8	137.2	163.8	-170.7	0	0	0	0	107.2
19	T	34.9	Very low	37.3	Very low	120 Å²	120	92.4 Å²	92.4	74%	0.736	49%	0.486	S	S	*	.				156.9	144.6	108.5	49.8	0	0	0	0	105.9
20	Q	28	Very low	37.3	Very low	182 Å²	182	90.7 Å²	90.7	85%	0.85	48%	0.482	S	S	*	.			cis	-150.7	135.4	41.1	-75.9	175	-35.8	0	0	112.9
21	A	32.7	Very low	37.3	Very low	59 Å²	59	93.7 Å²	93.7	49%	0.488	49%	0.493	S	S	.	.			trans	50.4	116.1	133.6	0	0	0	0	0	120.6	V202	A21-V202 HydrophobicContact CB-CG2 4.47Å
22	A	32.1	Very low	37.2	Very low	54 Å²	54	92.3 Å²	92.3	45%	0.446	49%	0.488	S	S	.	.			trans	-174.5	75.5	133.8	0	0	0	0	0	111.9	H195	A22-H195 WeakPolarHBondContact CA-CD2 3.34Å; A22-H195 VanDerWaalsContact CA-CE1 3.46Å; A22-H195 WeakPolarHBondContact CA-CE1 3.42Å; A22-H195 VanDerWaalsContact CA-ND1 3.34Å; A22-H195 WeakPolarHBondContact CA-ND1 3.36Å; A22-H195 WeakPolarHBondContact CA-NE2 3.49Å; A22-H195 HydrophobicContact CB-CB 3.91Å; A22-H195 WeakPolarHBondContact CB-CE1 3.14Å; A22-H195 WeakPolarHBondContact CB-ND1 3.45Å; A22-H195 PolarHBondContact O-CE1 2.93Å; A22-H195 VanDerWaalsContact O-CE1 3.26Å; A22-H195 PolarHBondContact O-NE2 3.15Å
23	S	34.5	Very low	37.2	Very low	10 Å²	10	90.2 Å²	90.2	7%	0.07	48%	0.478	C	S	.	.			trans	-99.3	134.1	-178	48.4	0	0	0	0	113.7	H195 E203	S23-H195 PolarHBondContact N-CD2 2.79Å; S23-H195 VanDerWaalsContact N-CD2 3.31Å; S23-H195 PolarHBondContact N-NE2 3.2Å; S23-H195 PolarHBondContact O-CD2 2.86Å; S23-H195 PolarHBondContact O-NE2 3.2Å; S23-E203 WeakPolarHBondContact OG-CA 3.5Å; S23-E203 WeakPolarHBondContact OG-CG 3.41Å; S23-E203 PolarHBondContact OG-N 3.19Å; S23-E203 PolarHBondContact OG-OE1 2.98Å
24	V	39.5	Very low	37.6	Very low	13 Å²	13	86 Å²	86	8%	0.079	46%	0.462	C	S	.	.			trans	-127.2	128.5	170.4	169	0	0	0	0	112.1	W191 H195 V206 F207 L208 T247	V24-W191 HydrophobicContact CB-CE3 4.31Å; V24-W191 HydrophobicContact CB-CH2 3.82Å; V24-W191 HydrophobicContact CB-CZ2 4.23Å; V24-W191 HydrophobicContact CB-CZ3 3.89Å; V24-W191 HydrophobicContact CG1-CH2 3.55Å; V24-W191 HydrophobicContact CG1-CZ2 4.19Å; V24-W191 HydrophobicContact CG1-CZ3 3.94Å; V24-W191 HydrophobicContact CG2-CD2 4.03Å; V24-W191 HydrophobicContact CG2-CE3 3.29Å; V24-W191 HydrophobicContact CG2-CH2 3.54Å; V24-W191 HydrophobicContact CG2-CZ2 4.18Å; V24-W191 HydrophobicContact CG2-CZ3 3.06Å; V24-H195 VanDerWaalsContact CG2-NE2 3.29Å; V24-H195 WeakPolarHBondContact CG2-NE2 2.97Å; V24-V206 WeakPolarHBondContact CA-O 3.45Å; V24-V206 HydrophobicContact CG2-CB 3.7Å; V24-V206 HydrophobicContact CG2-CG1 3.22Å; V24-F207 VanDerWaalsContact CG1-CA 3.48Å; V24-L208 HydrophobicContact CG1-CB 3.69Å; V24-T247 WeakPolarHBondContact O-CG2 3.47Å
25	Q	39.2	Very low	37.7	Very low	25 Å²	25	82 Å²	82	12%	0.117	45%	0.449	C	S	.	.	B	Isolated β-bridge	trans	-78.3	142	-171.4	-101.8	173.3	-40.4	0	0	115.5	E203 V206 F207 R245	Q25-E203 VanDerWaalsContact CD-O 3.25Å; Q25-E203 PolarHBondContact OE1-O 3.5Å; Q25-E203 VanDerWaalsContact OE1-O 3.04Å; Q25-V206 PolarHBondContact N-O 2.92Å; Q25-F207 HydrophobicContact CB-CD1 3.82Å; Q25-F207 HydrophobicContact CB-CE1 3.69Å; Q25-F207 HydrophobicContact CG-CE1 4.37Å; Q25-R245 VanDerWaalsContact CG-CD 3.45Å; Q25-R245 HydrophobicContact CG-CG 4.08Å
26	E	36.3	Very low	37.7	Very low	25 Å²	25	80.7 Å²	80.7	12%	0.117	44%	0.438	C	S	.	.			trans	-136.7	150.2	159.4	-165.2	-172	148.1	0	0	106.1	H211 D214 R245 K246	E26-H211 IonicContact OE1-CD2 2.79Å; E26-H211 IonicContact OE2-CD2 3.61Å; E26-D214 HydrophobicContact CG-CB 4.25Å; E26-D214 WeakPolarHBondContact CG-OD2 3.44Å; E26-R245 WeakPolarHBondContact O-CA 3.37Å; E26-R245 WeakPolarHBondContact O-CG 3.47Å; E26-K246 HydrophobicContact CB-CB 3.93Å; E26-K246 WeakPolarHBondContact CB-O 3.33Å; E26-K246 HydrophobicContact CG-CB 4.39Å; E26-K246 PolarHBondContact N-O 3.47Å; E26-K246 PolarHBondContact O-N 3.14Å; E26-K246 WeakPolarHBondContact OE2-CB 3.29Å
27	I	35.6	Very low	38	Very low	17 Å²	17	75.8 Å²	75.8	9%	0.087	41%	0.412	C	S	.	.			trans	-129.8	111.8	177.8	-70.4	162.1	0	0	0	108.3	T29 C243 E244 C290	I27-T29 HydrophobicContact CG2-CG2 3.99Å; I27-C243 HydrophobicContact CG2-CB 3.78Å; I27-E244 WeakPolarHBondContact CA-O 3.46Å; I27-C290 WeakPolarHBondContact CD1-SG 3.32Å; I27-C290 WeakPolarHBondContact CG2-SG 3.39Å
28	Q	38.3	Very low	38.6	Very low	88 Å²	88	69 Å²	69	41%	0.411	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-86.4	120.1	175.5	-92.6	-163.5	-40.5	0	0	112.3	E244	Q28-E244 PolarHBondContact N-O 3.28Å
29	T	40	Very low	38.8	Very low	28 Å²	28	65.7 Å²	65.7	17%	0.172	36%	0.364	C	S	.	.			trans	-129.4	162.4	169.7	65	0	0	0	0	110.5	I27 I34 I37 F241	I27-T29 HydrophobicContact CG2-CG2 3.99Å; T29-I34 WeakPolarHBondContact OG1-CG1 2.75Å; T29-I37 HydrophobicContact CG2-CD1 3.74Å; T29-F241 HydrophobicContact CG2-CE2 3.82Å; T29-F241 HydrophobicContact CG2-CZ 4.4Å
30	S	42.3	Very low	39	Very low	60 Å²	60	60.9 Å²	60.9	42%	0.42	34%	0.337	S	S	.	.			trans	-60	155.7	177.8	69	0	0	0	0	111.6	E32 N33 I34	S30-E32 PolarHBondContact O-N 2.74Å; S30-E32 VanDerWaalsContact O-N 3.1Å; S30-N33 CarbonylContact O-C 3.52Å; S30-N33 WeakPolarHBondContact O-CA 3.27Å; S30-N33 WeakPolarHBondContact O-CB 3.37Å; S30-N33 PolarHBondContact O-N 3.3Å; S30-N33 WeakPolarHBondContact OG-CB 3.44Å; S30-N33 PolarHBondContact OG-N 3.01Å; S30-N33 VanDerWaalsContact OG-N 3.17Å; S30-N33 PolarHBondContact OG-ND2 3.12Å; S30-N33 VanDerWaalsContact OG-ND2 3.14Å; S30-I34 WeakPolarHBondContact O-CG1 3.41Å; S30-I34 PolarHBondContact O-N 3.29Å
31	H	44.1	Very low	39.7	Very low	169 Å²	169	52.8 Å²	52.8	78%	0.782	30%	0.301	S	S	*	.	H	α-helix	trans	-57	-30.1	-179.8	-145.4	-74.7	0	0	0	112.9	A35	H31-A35 PolarHBondContact O-N 2.84Å
32	E	38.3	Very low	40.2	Very low	125 Å²	125	56.5 Å²	56.5	58%	0.584	31%	0.308	S	S	*	.	H	α-helix	trans	-72.5	-38	173.9	-154.3	-167.7	144.7	0	0	112.2	S30 A35 K36	S30-E32 PolarHBondContact O-N 2.74Å; S30-E32 VanDerWaalsContact O-N 3.1Å; E32-A35 PolarHBondContact O-N 3.37Å; E32-K36 WeakPolarHBondContact O-CG 3.45Å; E32-K36 PolarHBondContact O-N 2.69Å; E32-K36 IonicContact OE1-NZ 3.89Å; E32-K36 PolarHBondContact OE1-NZ 2.88Å
33	N	43.5	Very low	40.8	Very low	52 Å²	52	58 Å²	58	28%	0.278	31%	0.307	S	S	.	.	H	α-helix	trans	-73.3	-33.1	173.9	-71.6	-20.1	0	0	0	112.1	S30 A35 K36 I37	S30-N33 CarbonylContact O-C 3.52Å; S30-N33 WeakPolarHBondContact O-CA 3.27Å; S30-N33 WeakPolarHBondContact O-CB 3.37Å; S30-N33 PolarHBondContact O-N 3.3Å; S30-N33 WeakPolarHBondContact OG-CB 3.44Å; S30-N33 PolarHBondContact OG-N 3.01Å; S30-N33 VanDerWaalsContact OG-N 3.17Å; S30-N33 PolarHBondContact OG-ND2 3.12Å; S30-N33 VanDerWaalsContact OG-ND2 3.14Å; N33-A35 VanDerWaalsContact C-N 3.33Å; N33-K36 PolarHBondContact O-N 2.87Å; N33-I37 VanDerWaalsContact O-CB 3.26Å; N33-I37 WeakPolarHBondContact O-CB 3.3Å; N33-I37 WeakPolarHBondContact O-CD1 3.41Å; N33-I37 WeakPolarHBondContact O-CG1 3.47Å; N33-I37 PolarHBondContact O-N 3.08Å
34	I	44.6	Very low	41.4	Very low	62 Å²	62	59.4 Å²	59.4	32%	0.318	31%	0.313	S	S	.	.	H	α-helix	trans	-62.8	-41.6	172.1	-67.1	171.7	0	0	0	110.1	T29 S30 N38	T29-I34 WeakPolarHBondContact OG1-CG1 2.75Å; S30-I34 WeakPolarHBondContact O-CG1 3.41Å; S30-I34 PolarHBondContact O-N 3.29Å; I34-N38 VanDerWaalsContact O-CB 3.28Å; I34-N38 WeakPolarHBondContact O-CB 3.43Å; I34-N38 PolarHBondContact O-N 3.46Å; I34-N38 PolarHBondContact O-ND2 3.35Å; I34-N38 VanDerWaalsContact O-ND2 3.12Å
35	A	40.8	Very low	41.9	Very low	56 Å²	56	64 Å²	64	46%	0.463	33%	0.333	S	S	.	.	H	α-helix	trans	-62.7	-48.3	174	0	0	0	0	0	111.2	H31 E32 N33 I37 N38 S39	H31-A35 PolarHBondContact O-N 2.84Å; E32-A35 PolarHBondContact O-N 3.37Å; N33-A35 VanDerWaalsContact C-N 3.33Å; A35-I37 PolarHBondContact O-N 3.16Å; A35-N38 PolarHBondContact O-N 2.94Å; A35-S39 PolarHBondContact O-N 3.03Å; A35-S39 PolarHBondContact O-OG 3.02Å
36	K	39.5	Very low	42.5	Very low	110 Å²	110	62.8 Å²	62.8	48%	0.478	33%	0.328	S	S	.	.	H	α-helix	trans	-62.6	-37.1	177.7	-72.3	167.8	173.3	168.4	0	113.1	E32 N33 S39 A40	E32-K36 WeakPolarHBondContact O-CG 3.45Å; E32-K36 PolarHBondContact O-N 2.69Å; E32-K36 IonicContact OE1-NZ 3.89Å; E32-K36 PolarHBondContact OE1-NZ 2.88Å; N33-K36 PolarHBondContact O-N 2.87Å; K36-S39 VanDerWaalsContact CA-OG 3.3Å; K36-S39 WeakPolarHBondContact CA-OG 3.38Å; K36-S39 PolarHBondContact O-OG 3.19Å; K36-A40 VanDerWaalsContact O-CB 3.29Å; K36-A40 WeakPolarHBondContact O-CB 3.39Å; K36-A40 PolarHBondContact O-N 3.16Å
37	I	43.7	Very low	43.2	Very low	27 Å²	27	65 Å²	65	14%	0.138	35%	0.346	C	S	.	.	H	α-helix	trans	-72.3	-40.7	175.5	-70	162.8	0	0	0	111.1	T29 N33 A35 A40 A41 F241	T29-I37 HydrophobicContact CG2-CD1 3.74Å; N33-I37 VanDerWaalsContact O-CB 3.26Å; N33-I37 WeakPolarHBondContact O-CB 3.3Å; N33-I37 WeakPolarHBondContact O-CD1 3.41Å; N33-I37 WeakPolarHBondContact O-CG1 3.47Å; N33-I37 PolarHBondContact O-N 3.08Å; A35-I37 PolarHBondContact O-N 3.16Å; I37-A40 CarbonylContact O-C 3.57Å; I37-A40 PolarHBondContact O-N 3.46Å; I37-A41 VanDerWaalsContact O-CB 3.32Å; I37-A41 WeakPolarHBondContact O-CB 3.4Å; I37-A41 PolarHBondContact O-N 3.29Å; I37-F241 HydrophobicContact CD1-CZ 4.05Å
38	N	44.3	Very low	44.3	Very low	44 Å²	44	65.6 Å²	65.6	24%	0.235	35%	0.353	C	S	.	.	H	α-helix	trans	-63.9	-42.1	175.2	-75.3	-31.1	0	0	0	111.2	I34 A35 A41 E42 H213	I34-N38 VanDerWaalsContact O-CB 3.28Å; I34-N38 WeakPolarHBondContact O-CB 3.43Å; I34-N38 PolarHBondContact O-N 3.46Å; I34-N38 PolarHBondContact O-ND2 3.35Å; I34-N38 VanDerWaalsContact O-ND2 3.12Å; A35-N38 PolarHBondContact O-N 2.94Å; N38-A41 PolarHBondContact O-N 3.17Å; N38-E42 WeakPolarHBondContact O-CG 3.29Å; N38-E42 PolarHBondContact O-N 3.09Å; N38-H213 PolarHBondContact ND2-ND1 2.78Å; N38-H213 PolarHBondContact OD1-ND1 3.32Å
39	S	42.7	Very low	46.1	Very low	53 Å²	53	64.4 Å²	64.4	37%	0.371	35%	0.352	S	S	.	.	H	α-helix	trans	-67.2	-35.7	172.6	43.2	0	0	0	0	112.4	A35 K36 E42 M43	A35-S39 PolarHBondContact O-N 3.03Å; A35-S39 PolarHBondContact O-OG 3.02Å; K36-S39 VanDerWaalsContact CA-OG 3.3Å; K36-S39 WeakPolarHBondContact CA-OG 3.38Å; K36-S39 PolarHBondContact O-OG 3.19Å; S39-E42 PolarHBondContact O-N 3.22Å; S39-M43 WeakPolarHBondContact O-CB 3.34Å; S39-M43 WeakPolarHBondContact O-CG 3.31Å; S39-M43 PolarHBondContact O-N 3.17Å; S39-M43 VanDerWaalsContact O-N 3.07Å
40	A	39.8	Very low	48.3	Very low	20 Å²	20	63 Å²	63	17%	0.165	34%	0.344	C	S	.	.	H	α-helix	trans	-69.2	-34.1	173.5	0	0	0	0	0	113.2	K36 I37 M43 M44	K36-A40 VanDerWaalsContact O-CB 3.29Å; K36-A40 WeakPolarHBondContact O-CB 3.39Å; K36-A40 PolarHBondContact O-N 3.16Å; I37-A40 CarbonylContact O-C 3.57Å; I37-A40 PolarHBondContact O-N 3.46Å; A40-M43 CarbonylContact O-C 3.58Å; A40-M43 WeakPolarHBondContact O-CA 3.44Å; A40-M43 PolarHBondContact O-N 3.21Å; A40-M43 VanDerWaalsContact O-N 3.16Å; A40-M44 PolarHBondContact O-N 3Å; A40-M44 VanDerWaalsContact O-N 3.1Å
41	A	41.5	Very low	50.6	Low	12 Å²	12	60.2 Å²	60.2	10%	0.099	32%	0.324	C	S	.	.	H	α-helix	trans	-71.3	-34.2	173.9	0	0	0	0	0	111.8	I37 N38 M43 M44 A80	I37-A41 VanDerWaalsContact O-CB 3.32Å; I37-A41 WeakPolarHBondContact O-CB 3.4Å; I37-A41 PolarHBondContact O-N 3.29Å; N38-A41 PolarHBondContact O-N 3.17Å; A41-M43 PolarHBondContact O-N 3.3Å; A41-M44 PolarHBondContact O-N 3.04Å; A41-A80 WeakPolarHBondContact O-CA 3.47Å; A41-A80 WeakPolarHBondContact O-CB 3.16Å
42	E	43.5	Very low	52.8	Low	137 Å²	137	52.2 Å²	52.2	64%	0.64	29%	0.287	S	S	*	.	H	α-helix	trans	-65.8	-23.7	167.5	-74.5	179.8	173.6	0	0	112.4	N38 S39	N38-E42 WeakPolarHBondContact O-CG 3.29Å; N38-E42 PolarHBondContact O-N 3.09Å; S39-E42 PolarHBondContact O-N 3.22Å
43	M	44.1	Very low	55.6	Low	84 Å²	84	46.3 Å²	46.3	41%	0.414	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	2.7	178	-66.8	170.6	79.4	0	0	114.3	S39 A40 A41 Q45 L315	S39-M43 WeakPolarHBondContact O-CB 3.34Å; S39-M43 WeakPolarHBondContact O-CG 3.31Å; S39-M43 PolarHBondContact O-N 3.17Å; S39-M43 VanDerWaalsContact O-N 3.07Å; A40-M43 CarbonylContact O-C 3.58Å; A40-M43 WeakPolarHBondContact O-CA 3.44Å; A40-M43 PolarHBondContact O-N 3.21Å; A40-M43 VanDerWaalsContact O-N 3.16Å; A41-M43 PolarHBondContact O-N 3.3Å; M43-Q45 VanDerWaalsContact C-N 3.33Å; M43-Q45 PolarHBondContact O-N 3.32Å; M43-L315 HydrophobicContact CE-CD2 3.75Å
44	M	47.7	Very low	58.1	Low	41 Å²	41	43.9 Å²	43.9	20%	0.202	25%	0.246	C	C	.	.			trans	-69	90.3	175.5	-173.6	172.8	-76.7	0	0	110.1	A40 A41 C46 S224	A40-M44 PolarHBondContact O-N 3Å; A40-M44 VanDerWaalsContact O-N 3.1Å; A41-M44 PolarHBondContact O-N 3.04Å; M44-C46 VanDerWaalsContact C-N 3.32Å; M44-C46 PolarHBondContact O-N 3.44Å; M44-S224 WeakPolarHBondContact CE-OG 3.37Å
45	Q	50.1	Low	60.5	Low	108 Å²	108	40.9 Å²	40.9	51%	0.505	23%	0.231	S	C	.	.			trans	-77.8	89.6	168.9	-69.2	-176	7	0	0	108	M43 S47	M43-Q45 VanDerWaalsContact C-N 3.33Å; M43-Q45 PolarHBondContact O-N 3.32Å; Q45-S47 PolarHBondContact O-N 3.27Å
46	C	51.9	Low	63.1	Low	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.			trans	-66.1	93.4	162.9	-157.5	0	0	0	0	107.2	M44 A48 V88 C229	M44-C46 VanDerWaalsContact C-N 3.32Å; M44-C46 PolarHBondContact O-N 3.44Å; C46-A48 PolarHBondContact O-N 2.61Å; C46-V88 HydrophobicContact CB-CG2 4.2Å; C46-C229 HydrophobicContact CB-CB 3.76Å; C46-C229 WeakPolarHBondContact CB-SG 3.42Å; C46-C229 WeakPolarHBondContact SG-CB 3.43Å; C46-C229 CovalentContact SG-SG 2.03Å; C46-C229 PolarHBondContact SG-SG 3.38Å
47	S	50.6	Low	65.7	Low	73 Å²	73	33 Å²	33	51%	0.51	19%	0.186	S	C	.	.			trans	-71.6	-5.8	173.7	-60.6	0	0	0	0	112.3	Q45 A231	Q45-S47 PolarHBondContact O-N 3.27Å; S47-A231 WeakPolarHBondContact OG-CB 3.46Å
48	A	58.8	Low	68	Low	28 Å²	28	31.8 Å²	31.8	23%	0.231	18%	0.18	C	C	.	.	S	Bend	trans	-85	146.7	178	0	0	0	0	0	112.9	C46 L50 F228	C46-A48 PolarHBondContact O-N 2.61Å; A48-L50 PolarHBondContact O-N 3.33Å; A48-F228 WeakPolarHBondContact CB-O 3.45Å
49	V	76.3	Confident	70.3	Confident	63 Å²	63	29.7 Å²	29.7	38%	0.382	17%	0.169	S	C	.	.			trans	-71.6	102.4	171.1	177.1	0	0	0	0	106.6	K87 V151 P152	V49-K87 WeakPolarHBondContact CA-O 3.41Å; V49-V151 HydrophobicContact CB-CG2 4.47Å; V49-V151 HydrophobicContact CG1-CB 4.42Å; V49-V151 HydrophobicContact CG1-CG1 4.18Å; V49-V151 HydrophobicContact CG1-CG2 3.45Å; V49-V151 VanDerWaalsContact CG1-CG2 3.45Å; V49-V151 WeakPolarHBondContact O-CG1 3.41Å; V49-P152 WeakPolarHBondContact O-CD 3.21Å
50	L	85.8	Confident	72.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135	-174.1	177.8	69.4	0	0	0	112.9	A48 V52 K87 V88 R89 R146 P152 V154	A48-L50 PolarHBondContact O-N 3.33Å; L50-V52 HydrophobicContact CD2-CG2 3.72Å; L50-V52 HydrophobicContact CG-CG2 3.88Å; L50-K87 PolarHBondContact N-O 3.48Å; L50-K87 VanDerWaalsContact N-O 3.14Å; L50-V88 HydrophobicContact CB-CG2 4.33Å; L50-V88 WeakPolarHBondContact O-CA 3.48Å; L50-R89 PolarHBondContact O-N 2.88Å; L50-R146 PolarHBondContact O-NH2 3.24Å; L50-P152 HydrophobicContact CD1-CB 3.79Å; L50-P152 WeakPolarHBondContact CD1-O 3.38Å; L50-V154 HydrophobicContact CD1-CG2 3.81Å
51	D	90.3	Very high	74.6	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118	174.3	-72.6	-6.5	0	0	0	111.3	L105 F142 G145 R146 V151 P152 R153 V154	D51-L105 HydrophobicContact CB-CD1 4.48Å; D51-L105 HydrophobicContact CB-CD2 4.1Å; D51-F142 HydrophobicContact CB-CD1 4.18Å; D51-G145 VanDerWaalsContact OD2-CA 3.24Å; D51-G145 WeakPolarHBondContact OD2-CA 3.39Å; D51-R146 IonicContact OD1-CZ 2.74Å; D51-R146 IonicContact OD1-NE 2.74Å; D51-R146 PolarHBondContact OD1-NE 2.88Å; D51-R146 IonicContact OD1-NH2 2.74Å; D51-R146 PolarHBondContact OD1-NH2 3.42Å; D51-R146 PolarHBondContact OD2-N 3.07Å; D51-V151 HydrophobicContact CB-CG1 4.42Å; D51-P152 PolarHBondContact N-O 3.39Å; D51-P152 VanDerWaalsContact N-O 3.11Å; D51-R153 HydrophobicContact CB-CG 4.4Å; D51-V154 PolarHBondContact O-N 3.36Å
52	V	91.9	Very high	76.7	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.3	-177.9	-176.9	0	0	0	0	111	L50 F54 L81 V88 R89 V90 G91 L105 V154 I156	L50-V52 HydrophobicContact CD2-CG2 3.72Å; L50-V52 HydrophobicContact CG-CG2 3.88Å; V52-F54 HydrophobicContact CG1-CE2 4.29Å; V52-F54 HydrophobicContact CG1-CZ 4.49Å; V52-L81 HydrophobicContact CG2-CD1 4.27Å; V52-V88 HydrophobicContact CG2-CG1 4.04Å; V52-R89 PolarHBondContact N-O 2.82Å; V52-V90 VanDerWaalsContact O-CA 3.3Å; V52-V90 WeakPolarHBondContact O-CA 3.41Å; V52-G91 PolarHBondContact O-N 2.77Å; V52-L105 VanDerWaalsContact O-CD2 3.28Å; V52-L105 WeakPolarHBondContact O-CD2 3.41Å; V52-V154 CarbonylContact C-O 3.55Å; V52-V154 WeakPolarHBondContact CA-O 3.3Å; V52-V154 HydrophobicContact CG2-CB 4.47Å; V52-I156 HydrophobicContact CG1-CD1 3.8Å; V52-I156 HydrophobicContact CG1-CG1 4.27Å
53	L	95.3	Very high	78.6	Confident	1 Å²	1	31 Å²	31	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.1	179.1	-175.9	64.3	0	0	0	111	I93 V137 F142 V154 A155 I156	L53-I93 HydrophobicContact CD1-CD1 4.11Å; L53-I93 HydrophobicContact CD1-CG1 4.23Å; L53-I93 HydrophobicContact CD2-CD1 3.99Å; L53-I93 HydrophobicContact CG-CD1 4.4Å; L53-V137 HydrophobicContact CD2-CG1 4Å; L53-V137 HydrophobicContact CD2-CG2 3.89Å; L53-F142 HydrophobicContact CB-CD1 3.84Å; L53-F142 HydrophobicContact CB-CE1 3.39Å; L53-F142 HydrophobicContact CB-CE2 4.36Å; L53-F142 HydrophobicContact CB-CG 4.49Å; L53-F142 HydrophobicContact CB-CZ 3.69Å; L53-F142 HydrophobicContact CD2-CD1 4.31Å; L53-F142 HydrophobicContact CD2-CD2 3.89Å; L53-F142 HydrophobicContact CD2-CE1 4.26Å; L53-F142 HydrophobicContact CD2-CE2 3.83Å; L53-F142 HydrophobicContact CD2-CG 4.13Å; L53-F142 HydrophobicContact CD2-CZ 4.02Å; L53-F142 HydrophobicContact CG-CE1 4.48Å; L53-V154 PolarHBondContact N-O 2.97Å; L53-A155 CarbonylContact O-C 3.39Å; L53-A155 WeakPolarHBondContact O-CA 3.24Å; L53-I156 PolarHBondContact O-N 3.42Å
54	F	96.4	Very high	80.5	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	127.7	172.3	-70.9	-78.8	0	0	0	111.1	V52 Y73 A74 L77 V90 G91 L92 I93 I156 L158	V52-F54 HydrophobicContact CG1-CE2 4.29Å; V52-F54 HydrophobicContact CG1-CZ 4.49Å; F54-Y73 HydrophobicContact CE1-CE1 4.38Å; F54-A74 HydrophobicContact CD1-CB 4.27Å; F54-A74 HydrophobicContact CE1-CB 4.05Å; F54-A74 HydrophobicContact CE2-CB 4.36Å; F54-A74 HydrophobicContact CZ-CB 4.09Å; F54-L77 HydrophobicContact CE1-CD2 4Å; F54-L77 HydrophobicContact CZ-CB 4.41Å; F54-L77 HydrophobicContact CZ-CD2 3.85Å; F54-L77 HydrophobicContact CZ-CG 4.41Å; F54-V90 HydrophobicContact CD2-CG1 3.77Å; F54-V90 HydrophobicContact CE2-CG1 3.62Å; F54-G91 PolarHBondContact N-O 3.45Å; F54-L92 HydrophobicContact CB-CB 4.31Å; F54-L92 HydrophobicContact CB-CD1 4.14Å; F54-L92 HydrophobicContact CB-CG 3.99Å; F54-I93 PolarHBondContact O-N 3.19Å; F54-I156 WeakPolarHBondContact CA-O 3.33Å; F54-I156 HydrophobicContact CD1-CB 3.91Å; F54-I156 HydrophobicContact CD1-CG2 4.14Å; F54-I156 HydrophobicContact CE1-CB 4.08Å; F54-I156 HydrophobicContact CE1-CD1 3.91Å; F54-I156 HydrophobicContact CE1-CG2 4.1Å; F54-I156 HydrophobicContact CZ-CD1 4.29Å; F54-L158 HydrophobicContact CD1-CD1 3.97Å
55	L	96.3	Very high	82.1	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	99.7	166.5	-61.5	172.7	0	0	0	107.7	I93 F95 L134 V137 I156 L157 L158	L55-I93 WeakPolarHBondContact CA-O 3.29Å; L55-I93 HydrophobicContact CD2-CB 3.96Å; L55-I93 HydrophobicContact CD2-CD1 4.12Å; L55-I93 HydrophobicContact CD2-CG2 4.2Å; L55-F95 HydrophobicContact CB-CD1 4.45Å; L55-F95 HydrophobicContact CB-CE1 4.25Å; L55-L134 HydrophobicContact CD1-CD2 3.8Å; L55-V137 HydrophobicContact CD1-CG2 4.33Å; L55-V137 HydrophobicContact CD2-CG2 3.61Å; L55-I156 PolarHBondContact N-O 3.36Å; L55-L157 HydrophobicContact CB-CD1 3.82Å; L55-L157 CarbonylContact O-C 3.56Å; L55-L157 WeakPolarHBondContact O-CA 3.08Å; L55-L158 PolarHBondContact O-N 3.09Å
56	M	95.7	Very high	83.7	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.5	-171.9	-167.1	177.2	-75.1	0	0	111.6	G58 F67 A70 K71 A74 L92 I93 Q94 F95 L158	M56-G58 PolarHBondContact O-N 2.7Å; M56-F67 HydrophobicContact CG-CD2 4.32Å; M56-F67 HydrophobicContact CG-CE2 3.73Å; M56-F67 HydrophobicContact CG-CZ 4.49Å; M56-F67 HydrophobicContact SD-CD2 4.27Å; M56-F67 HydrophobicContact SD-CE2 3.52Å; M56-F67 VanDerWaalsContact SD-CE2 3.52Å; M56-F67 HydrophobicContact SD-CZ 3.73Å; M56-A70 HydrophobicContact CE-CB 4.36Å; M56-A70 HydrophobicContact CG-CB 4.15Å; M56-A70 HydrophobicContact SD-CB 4.23Å; M56-K71 HydrophobicContact CE-CG 4.33Å; M56-K71 HydrophobicContact SD-CG 3.92Å; M56-A74 HydrophobicContact CE-CB 3.86Å; M56-L92 HydrophobicContact CB-CD2 4.48Å; M56-L92 HydrophobicContact CE-CD1 3.75Å; M56-L92 HydrophobicContact SD-CD1 4.36Å; M56-I93 PolarHBondContact N-O 2.98Å; M56-Q94 WeakPolarHBondContact O-CA 3.38Å; M56-F95 WeakPolarHBondContact O-CD1 3.05Å; M56-F95 PolarHBondContact O-N 2.95Å; M56-L158 HydrophobicContact CE-CD1 3.79Å; M56-L158 HydrophobicContact CG-CD1 4.42Å
57	D	93.9	Very high	85.5	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	112.5	177.7	-166.2	-22.6	0	0	0	110.5	S59 I62 F67 F95 T128 L158 S159	D57-S59 WeakPolarHBondContact OD1-CB 3.46Å; D57-S59 PolarHBondContact OD1-N 2.95Å; D57-S59 PolarHBondContact OD1-OG 3.18Å; D57-I62 HydrophobicContact CB-CD1 4.28Å; D57-I62 HydrophobicContact CB-CG1 3.92Å; D57-F67 WeakPolarHBondContact O-CD2 3.02Å; D57-F95 HydrophobicContact CB-CE1 3.92Å; D57-F95 HydrophobicContact CB-CE2 4.09Å; D57-F95 HydrophobicContact CB-CZ 3.55Å; D57-T128 WeakPolarHBondContact OD2-CG2 3.41Å; D57-L158 WeakPolarHBondContact CB-O 3.4Å; D57-L158 PolarHBondContact N-O 2.76Å; D57-S159 WeakPolarHBondContact OD2-CB 3.39Å; D57-S159 PolarHBondContact OD2-OG 2.8Å
58	G	91.9	Very high	87.3	Confident	1 Å²	1	30 Å²	30	1%	0.01	17%	0.166	C	C	.	.			trans	-106.7	18	176	0	0	0	0	0	113.1	M56 F95 Y123 G125	M56-G58 PolarHBondContact O-N 2.7Å; G58-F95 PolarHBondContact N-O 3.31Å; G58-Y123 WeakPolarHBondContact O-CE2 3.37Å; G58-G125 CarbonylContact O-C 3.6Å; G58-G125 WeakPolarHBondContact O-CA 3.46Å; G58-G125 PolarHBondContact O-N 2.82Å
59	S	92.4	Very high	88.4	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-73.4	168.2	-176.5	67.7	0	0	0	0	114.1	D57 S61 I62 G63 Y123 S127 T128	D57-S59 WeakPolarHBondContact OD1-CB 3.46Å; D57-S59 PolarHBondContact OD1-N 2.95Å; D57-S59 PolarHBondContact OD1-OG 3.18Å; S59-S61 PolarHBondContact O-N 3.4Å; S59-S61 PolarHBondContact OG-OG 3.17Å; S59-I62 PolarHBondContact O-N 3.23Å; S59-G63 PolarHBondContact O-N 2.94Å; S59-Y123 WeakPolarHBondContact O-CE2 3.36Å; S59-Y123 PolarHBondContact O-OH 3.09Å; S59-S127 VanDerWaalsContact CB-O 3.23Å; S59-S127 WeakPolarHBondContact CB-O 3.13Å; S59-T128 VanDerWaalsContact CB-OG1 3.32Å; S59-T128 WeakPolarHBondContact CB-OG1 3.41Å; S59-T128 PolarHBondContact OG-OG1 3.26Å
60	Y	88.3	Confident	88.9	Confident	170 Å²	170	31 Å²	31	67%	0.667	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.2	179	-69.8	-52.9	0	0	0	114.3	I62 Y123 G126	Y60-I62 VanDerWaalsContact C-N 3.33Å; Y60-Y123 VanDerWaalsContact CA-OH 3.32Å; Y60-Y123 WeakPolarHBondContact CA-OH 2.85Å; Y60-G126 VanDerWaalsContact CD2-O 3.27Å; Y60-G126 WeakPolarHBondContact CD2-O 3.48Å; Y60-G126 PolarHBondContact N-O 3.46Å
61	S	83.2	Confident	89.1	Confident	53 Å²	53	31.5 Å²	31.5	37%	0.371	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-35	177.6	61.6	0	0	0	0	112.4	S59 T128 D160	S59-S61 PolarHBondContact O-N 3.4Å; S59-S61 PolarHBondContact OG-OG 3.17Å; S61-T128 PolarHBondContact OG-OG1 2.74Å; S61-D160 VanDerWaalsContact CB-OD2 3.31Å; S61-D160 WeakPolarHBondContact CB-OD2 3.1Å; S61-D160 PolarHBondContact OG-OD1 3.43Å; S61-D160 PolarHBondContact OG-OD2 2.88Å
62	I	85.6	Confident	88.9	Confident	6 Å²	6	36.1 Å²	36.1	3%	0.031	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-47.7	177.7	-59.5	-58.5	0	0	0	110.7	D57 S59 Y60 T66 F67 D160 L186	D57-I62 HydrophobicContact CB-CD1 4.28Å; D57-I62 HydrophobicContact CB-CG1 3.92Å; S59-I62 PolarHBondContact O-N 3.23Å; Y60-I62 VanDerWaalsContact C-N 3.33Å; I62-T66 HydrophobicContact CG2-CG2 3.91Å; I62-T66 WeakPolarHBondContact O-CB 3.47Å; I62-T66 PolarHBondContact O-OG1 3.25Å; I62-F67 HydrophobicContact CG2-CB 4.15Å; I62-D160 HydrophobicContact CD1-CB 3.53Å; I62-D160 VanDerWaalsContact CD1-CG 3.46Å; I62-D160 WeakPolarHBondContact CD1-OD1 3.44Å; I62-L186 HydrophobicContact CD1-CB 4.26Å; I62-L186 HydrophobicContact CD1-CD1 3.92Å; I62-L186 HydrophobicContact CG2-CD1 4.25Å
63	G	84.3	Confident	88.5	Confident	22 Å²	22	36.2 Å²	36.2	23%	0.227	18%	0.181	C	C	.	.	H	α-helix	trans	71.1	159.7	-173.8	0	0	0	0	0	113.5	S59 G65 T66 F67	S59-G63 PolarHBondContact O-N 2.94Å; G63-G65 PolarHBondContact O-N 2.78Å; G63-T66 PolarHBondContact O-N 3.31Å; G63-F67 PolarHBondContact O-N 2.81Å
64	K	84.4	Confident	88.3	Confident	146 Å²	146	36.1 Å²	36.1	64%	0.635	18%	0.181	S	C	*	.	H	α-helix	trans	-56.8	-43.4	-171.9	-170	178.3	-179.5	-178	0	113.6	F67 E68 Y123	K64-F67 PolarHBondContact O-N 2.68Å; K64-E68 WeakPolarHBondContact O-CG 3.22Å; K64-E68 PolarHBondContact O-N 3.14Å; K64-Y123 HydrophobicContact CB-CD1 4.1Å; K64-Y123 HydrophobicContact CB-CE1 4.44Å; K64-Y123 HydrophobicContact CB-CG 4.38Å; K64-Y123 HydrophobicContact CG-CD1 4.41Å; K64-Y123 HydrophobicContact CG-CG 4.5Å
65	G	81.6	Confident	87.8	Confident	47 Å²	47	36.5 Å²	36.5	49%	0.485	18%	0.183	S	C	.	.	H	α-helix	trans	-66.4	-38.4	-178.3	0	0	0	0	0	113.7	G63 R69	G63-G65 PolarHBondContact O-N 2.78Å; G65-R69 PolarHBondContact O-N 3.24Å
66	T	82.1	Confident	87	Confident	6 Å²	6	39.6 Å²	39.6	4%	0.037	20%	0.196	C	C	.	.	H	α-helix	trans	-74.6	-31.8	176.5	-44	0	0	0	0	111.4	I62 G63 R69 A70 L186 R187	I62-T66 HydrophobicContact CG2-CG2 3.91Å; I62-T66 WeakPolarHBondContact O-CB 3.47Å; I62-T66 PolarHBondContact O-OG1 3.25Å; G63-T66 PolarHBondContact O-N 3.31Å; T66-R69 WeakPolarHBondContact O-CB 3.48Å; T66-R69 PolarHBondContact O-N 2.85Å; T66-R69 VanDerWaalsContact O-N 3.16Å; T66-R69 PolarHBondContact OG1-NH2 2.83Å; T66-A70 PolarHBondContact O-N 2.03Å; T66-L186 HydrophobicContact CG2-CB 3.74Å; T66-L186 HydrophobicContact CG2-CD1 4.46Å; T66-R187 HydrophobicContact CG2-CB 4.1Å
67	F	89.8	Confident	86.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.7	-41.2	173.5	-177.2	-99.4	0	0	0	112.2	M56 D57 I62 G63 K64 R69 A70 K71 Q94 I121 Y123	M56-F67 HydrophobicContact CG-CD2 4.32Å; M56-F67 HydrophobicContact CG-CE2 3.73Å; M56-F67 HydrophobicContact CG-CZ 4.49Å; M56-F67 HydrophobicContact SD-CD2 4.27Å; M56-F67 HydrophobicContact SD-CE2 3.52Å; M56-F67 VanDerWaalsContact SD-CE2 3.52Å; M56-F67 HydrophobicContact SD-CZ 3.73Å; D57-F67 WeakPolarHBondContact O-CD2 3.02Å; I62-F67 HydrophobicContact CG2-CB 4.15Å; G63-F67 PolarHBondContact O-N 2.81Å; K64-F67 PolarHBondContact O-N 2.68Å; F67-R69 VanDerWaalsContact C-N 3.25Å; F67-R69 PolarHBondContact O-N 3.01Å; F67-A70 WeakPolarHBondContact O-CB 3.3Å; F67-A70 PolarHBondContact O-N 2.94Å; F67-A70 VanDerWaalsContact O-N 3.12Å; F67-K71 HydrophobicContact CD1-CD 4.39Å; F67-K71 HydrophobicContact CD1-CG 4.43Å; F67-K71 HydrophobicContact CE1-CD 3.8Å; F67-K71 HydrophobicContact CE1-CG 4.01Å; F67-K71 HydrophobicContact CZ-CD 4.42Å; F67-K71 HydrophobicContact CZ-CG 4.31Å; F67-K71 PolarHBondContact O-N 2.81Å; F67-Q94 HydrophobicContact CE2-CG 4.21Å; F67-Q94 VanDerWaalsContact CE2-NE2 3.26Å; F67-Q94 HydrophobicContact CZ-CG 4.42Å; F67-I121 HydrophobicContact CE1-CG2 4.36Å; F67-I121 HydrophobicContact CZ-CG2 3.96Å; F67-Y123 HydrophobicContact CB-CD2 3.65Å; F67-Y123 HydrophobicContact CB-CE2 4.32Å; F67-Y123 HydrophobicContact CB-CG 4.41Å; F67-Y123 HydrophobicContact CD1-CD2 4.13Å; F67-Y123 HydrophobicContact CD1-CG 4.39Å; F67-Y123 HydrophobicContact CD2-CD2 4.11Å; F67-Y123 AromaticContact CG-CD2 3.69Å; F67-Y123 HydrophobicContact CG-CD2 3.69Å; F67-Y123 HydrophobicContact CG-CG 4.38Å
68	E	88.4	Confident	85.9	Confident	86 Å²	86	39.9 Å²	39.9	40%	0.402	20%	0.198	S	C	.	.	H	α-helix	trans	-59.7	-36.3	172.3	-70	-59.9	143.7	0	0	112.1	K64 K71 H72	K64-E68 WeakPolarHBondContact O-CG 3.22Å; K64-E68 PolarHBondContact O-N 3.14Å; E68-K71 PolarHBondContact O-N 3.11Å; E68-K71 WeakPolarHBondContact OE1-CE 3.47Å; E68-K71 IonicContact OE1-NZ 3.74Å; E68-K71 PolarHBondContact OE1-NZ 3.46Å; E68-K71 WeakPolarHBondContact OE2-CE 3.41Å; E68-K71 IonicContact OE2-NZ 3.33Å; E68-K71 PolarHBondContact OE2-NZ 2.78Å; E68-H72 PolarHBondContact O-N 2.72Å
69	R	82	Confident	85.2	Confident	110 Å²	110	42.1 Å²	42.1	42%	0.415	21%	0.208	S	C	.	.	H	α-helix	trans	-65.2	-41.3	172.5	-70.1	-172.9	-76	-102.7	-2	112.5	G65 T66 F67 K71 H72 Y73	G65-R69 PolarHBondContact O-N 3.24Å; T66-R69 WeakPolarHBondContact O-CB 3.48Å; T66-R69 PolarHBondContact O-N 2.85Å; T66-R69 VanDerWaalsContact O-N 3.16Å; T66-R69 PolarHBondContact OG1-NH2 2.83Å; F67-R69 VanDerWaalsContact C-N 3.25Å; F67-R69 PolarHBondContact O-N 3.01Å; R69-K71 VanDerWaalsContact C-N 3.31Å; R69-K71 PolarHBondContact O-N 2.03Å; R69-H72 WeakPolarHBondContact O-CB 3.28Å; R69-H72 PolarHBondContact O-N 3.05Å; R69-H72 VanDerWaalsContact O-N 3.14Å; R69-Y73 PolarHBondContact O-N 3.35Å
70	A	88.2	Confident	84.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61	-39.7	175	0	0	0	0	0	111.9	M56 T66 F67 Y73 A74 L158 L186	M56-A70 HydrophobicContact CE-CB 4.36Å; M56-A70 HydrophobicContact CG-CB 4.15Å; M56-A70 HydrophobicContact SD-CB 4.23Å; T66-A70 PolarHBondContact O-N 2.03Å; F67-A70 WeakPolarHBondContact O-CB 3.3Å; F67-A70 PolarHBondContact O-N 2.94Å; F67-A70 VanDerWaalsContact O-N 3.12Å; A70-Y73 PolarHBondContact O-N 2.84Å; A70-A74 PolarHBondContact O-N 3.16Å; A70-L158 HydrophobicContact CB-CB 4.42Å; A70-L158 HydrophobicContact CB-CD1 4.41Å; A70-L186 HydrophobicContact CB-CD1 3.84Å; A70-L186 HydrophobicContact CB-CD2 4.04Å
71	K	90.1	Very high	83.6	Confident	12 Å²	12	34.4 Å²	34.4	5%	0.052	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-42.9	171.7	-69.7	-167	-59.2	179.5	0	112.2	M56 F67 E68 R69 Y73 A74 V75 L118 K119 I121	M56-K71 HydrophobicContact CE-CG 4.33Å; M56-K71 HydrophobicContact SD-CG 3.92Å; F67-K71 HydrophobicContact CD1-CD 4.39Å; F67-K71 HydrophobicContact CD1-CG 4.43Å; F67-K71 HydrophobicContact CE1-CD 3.8Å; F67-K71 HydrophobicContact CE1-CG 4.01Å; F67-K71 HydrophobicContact CZ-CD 4.42Å; F67-K71 HydrophobicContact CZ-CG 4.31Å; F67-K71 PolarHBondContact O-N 2.81Å; E68-K71 PolarHBondContact O-N 3.11Å; E68-K71 WeakPolarHBondContact OE1-CE 3.47Å; E68-K71 IonicContact OE1-NZ 3.74Å; E68-K71 PolarHBondContact OE1-NZ 3.46Å; E68-K71 WeakPolarHBondContact OE2-CE 3.41Å; E68-K71 IonicContact OE2-NZ 3.33Å; E68-K71 PolarHBondContact OE2-NZ 2.78Å; R69-K71 VanDerWaalsContact C-N 3.31Å; R69-K71 PolarHBondContact O-N 2.03Å; K71-Y73 VanDerWaalsContact C-N 3.32Å; K71-Y73 PolarHBondContact O-N 3.34Å; K71-A74 PolarHBondContact O-N 3.42Å; K71-V75 WeakPolarHBondContact O-CG2 3.41Å; K71-V75 PolarHBondContact O-N 2.99Å; K71-L118 WeakPolarHBondContact CD-O 3.45Å; K71-K119 PolarHBondContact NZ-O 3.32Å; K71-I121 HydrophobicContact CD-CB 4.23Å; K71-I121 PolarHBondContact NZ-O 3.49Å
72	H	84.6	Confident	83.3	Confident	98 Å²	98	33.5 Å²	33.5	45%	0.454	17%	0.171	S	C	.	.	H	α-helix	trans	-59.9	-44.2	177.4	-170	73	0	0	0	111.6	E68 R69 V75 K76	E68-H72 PolarHBondContact O-N 2.72Å; R69-H72 WeakPolarHBondContact O-CB 3.28Å; R69-H72 PolarHBondContact O-N 3.05Å; R69-H72 VanDerWaalsContact O-N 3.14Å; H72-V75 PolarHBondContact O-N 3.35Å; H72-K76 WeakPolarHBondContact O-CB 3.2Å; H72-K76 WeakPolarHBondContact O-CG 3.17Å; H72-K76 PolarHBondContact O-N 3.26Å; H72-K76 VanDerWaalsContact O-N 3.09Å
73	Y	85	Confident	83.2	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-57.3	-51.5	173.5	174.4	-94.6	0	0	0	112.4	F54 R69 A70 K71 V75 K76 L77 I156 L158 V184 F212 A215 V216 V219	F54-Y73 HydrophobicContact CE1-CE1 4.38Å; R69-Y73 PolarHBondContact O-N 3.35Å; A70-Y73 PolarHBondContact O-N 2.84Å; K71-Y73 VanDerWaalsContact C-N 3.32Å; K71-Y73 PolarHBondContact O-N 3.34Å; Y73-V75 VanDerWaalsContact C-N 3.34Å; Y73-V75 PolarHBondContact O-N 2.86Å; Y73-K76 PolarHBondContact O-N 2.98Å; Y73-L77 HydrophobicContact CE1-CD2 4.24Å; Y73-L77 PolarHBondContact O-N 3.23Å; Y73-I156 HydrophobicContact CE1-CG2 4.31Å; Y73-L158 HydrophobicContact CD1-CD1 4.01Å; Y73-L158 HydrophobicContact CD1-CD2 3.36Å; Y73-L158 HydrophobicContact CD1-CG 4.25Å; Y73-L158 HydrophobicContact CE1-CD2 3.68Å; Y73-L158 HydrophobicContact CG-CD2 4.13Å; Y73-V184 HydrophobicContact CE1-CG1 4.31Å; Y73-V184 HydrophobicContact CE1-CG2 4.11Å; Y73-V184 HydrophobicContact CE2-CG1 4.41Å; Y73-F212 HydrophobicContact CD2-CD2 4.07Å; Y73-F212 HydrophobicContact CD2-CE2 4.16Å; Y73-A215 HydrophobicContact CD2-CB 4.1Å; Y73-A215 HydrophobicContact CE2-CB 3.44Å; Y73-A215 VanDerWaalsContact CE2-CB 3.44Å; Y73-A215 PolarHBondContact OH-O 3.04Å; Y73-V216 HydrophobicContact CD2-CG2 3.86Å; Y73-V216 HydrophobicContact CE2-CG2 3.56Å; Y73-V219 WeakPolarHBondContact OH-CG2 3.22Å
74	A	89.6	Confident	83	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.9	-43.3	179.7	0	0	0	0	0	112.2	F54 M56 A70 K71 K76 L77 C78 L118	F54-A74 HydrophobicContact CD1-CB 4.27Å; F54-A74 HydrophobicContact CE1-CB 4.05Å; F54-A74 HydrophobicContact CE2-CB 4.36Å; F54-A74 HydrophobicContact CZ-CB 4.09Å; M56-A74 HydrophobicContact CE-CB 3.86Å; A70-A74 PolarHBondContact O-N 3.16Å; K71-A74 PolarHBondContact O-N 3.42Å; A74-K76 VanDerWaalsContact C-N 3.32Å; A74-K76 PolarHBondContact O-N 3.08Å; A74-L77 PolarHBondContact O-N 3.26Å; A74-C78 WeakPolarHBondContact O-CB 3.42Å; A74-C78 PolarHBondContact O-N 3.29Å; A74-C78 PolarHBondContact O-SG 3.24Å; A74-L118 HydrophobicContact CB-CD2 4.43Å
75	V	86.9	Confident	82.8	Confident	8 Å²	8	29.6 Å²	29.6	5%	0.048	16%	0.159	C	C	.	.	H	α-helix	trans	-57.2	-47.7	177.1	164.1	0	0	0	0	111	K71 H72 Y73 C78 E79 K115 L118 K119	K71-V75 WeakPolarHBondContact O-CG2 3.41Å; K71-V75 PolarHBondContact O-N 2.99Å; H72-V75 PolarHBondContact O-N 3.35Å; Y73-V75 VanDerWaalsContact C-N 3.34Å; Y73-V75 PolarHBondContact O-N 2.86Å; V75-C78 WeakPolarHBondContact O-CB 3.41Å; V75-C78 PolarHBondContact O-N 2.65Å; V75-E79 WeakPolarHBondContact O-CG 3.42Å; V75-E79 PolarHBondContact O-N 2.9Å; V75-K115 HydrophobicContact CG1-CD 4.04Å; V75-K115 HydrophobicContact CG1-CG 3.9Å; V75-L118 HydrophobicContact CG2-CB 3.86Å; V75-L118 HydrophobicContact CG2-CD1 4.11Å; V75-K119 HydrophobicContact CG2-CG 4.43Å
76	K	79.8	Confident	82.7	Confident	64 Å²	64	32.2 Å²	32.2	28%	0.278	16%	0.162	S	C	.	.	H	α-helix	trans	-74	-35.6	-175.2	-76.6	-84.4	164.6	-152.7	0	113.6	H72 Y73 A74 C78 E79 A80 F212	H72-K76 WeakPolarHBondContact O-CB 3.2Å; H72-K76 WeakPolarHBondContact O-CG 3.17Å; H72-K76 PolarHBondContact O-N 3.26Å; H72-K76 VanDerWaalsContact O-N 3.09Å; Y73-K76 PolarHBondContact O-N 2.98Å; A74-K76 VanDerWaalsContact C-N 3.32Å; A74-K76 PolarHBondContact O-N 3.08Å; K76-C78 VanDerWaalsContact C-N 3.27Å; K76-C78 PolarHBondContact O-N 3.33Å; K76-E79 VanDerWaalsContact CD-OE2 3.32Å; K76-E79 WeakPolarHBondContact CD-OE2 3.26Å; K76-E79 WeakPolarHBondContact CE-OE2 3.17Å; K76-E79 IonicContact NZ-OE2 2.99Å; K76-E79 PolarHBondContact NZ-OE2 3.19Å; K76-E79 WeakPolarHBondContact O-CB 3.5Å; K76-E79 PolarHBondContact O-N 3.46Å; K76-E79 VanDerWaalsContact O-N 3.14Å; K76-A80 PolarHBondContact O-N 2.97Å; K76-F212 HydrophobicContact CB-CD2 4.12Å; K76-F212 HydrophobicContact CB-CE1 3.9Å; K76-F212 HydrophobicContact CB-CE2 3.03Å; K76-F212 HydrophobicContact CB-CZ 2.96Å; K76-F212 HydrophobicContact CD-CE1 3.65Å; K76-F212 HydrophobicContact CD-CE2 4.28Å; K76-F212 HydrophobicContact CD-CZ 3.58Å; K76-F212 HydrophobicContact CG-CD1 4.43Å; K76-F212 HydrophobicContact CG-CD2 4.2Å; K76-F212 HydrophobicContact CG-CE1 3.73Å; K76-F212 HydrophobicContact CG-CE2 3.48Å; K76-F212 VanDerWaalsContact CG-CE2 3.48Å; K76-F212 HydrophobicContact CG-CZ 3.3Å
77	L	80.8	Confident	82.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.1	-39.6	170.2	-176.9	58.3	0	0	0	110.7	F54 Y73 A74 E79 A80 L81 I156 V216 V219	F54-L77 HydrophobicContact CE1-CD2 4Å; F54-L77 HydrophobicContact CZ-CB 4.41Å; F54-L77 HydrophobicContact CZ-CD2 3.85Å; F54-L77 HydrophobicContact CZ-CG 4.41Å; Y73-L77 HydrophobicContact CE1-CD2 4.24Å; Y73-L77 PolarHBondContact O-N 3.23Å; A74-L77 PolarHBondContact O-N 3.26Å; L77-E79 VanDerWaalsContact C-N 3.25Å; L77-E79 PolarHBondContact O-N 3.32Å; L77-A80 PolarHBondContact O-N 3.39Å; L77-L81 HydrophobicContact CG-CD1 4.22Å; L77-L81 WeakPolarHBondContact O-CG 3.32Å; L77-L81 PolarHBondContact O-N 2.88Å; L77-I156 HydrophobicContact CD2-CD1 3.4Å; L77-I156 VanDerWaalsContact CD2-CD1 3.4Å; L77-V216 HydrophobicContact CB-CG2 4.12Å; L77-V216 HydrophobicContact CD1-CG1 4.09Å; L77-V219 HydrophobicContact CD1-CB 4.49Å; L77-V219 HydrophobicContact CD1-CG1 4.18Å; L77-V219 HydrophobicContact CD2-CG1 4.09Å
78	C	84.4	Confident	82.5	Confident	6 Å²	6	35.4 Å²	35.4	4%	0.041	18%	0.176	C	C	.	.	H	α-helix	trans	-66	-25.3	174.7	-64.6	0	0	0	0	113.4	A74 V75 K76 L114	A74-C78 WeakPolarHBondContact O-CB 3.42Å; A74-C78 PolarHBondContact O-N 3.29Å; A74-C78 PolarHBondContact O-SG 3.24Å; V75-C78 WeakPolarHBondContact O-CB 3.41Å; V75-C78 PolarHBondContact O-N 2.65Å; K76-C78 VanDerWaalsContact C-N 3.27Å; K76-C78 PolarHBondContact O-N 3.33Å; C78-L114 HydrophobicContact CB-CD2 4.02Å
79	E	78.6	Confident	82.6	Confident	48 Å²	48	34 Å²	34	22%	0.224	17%	0.167	C	C	.	.	H	α-helix	trans	-66.7	-40.4	172.9	-73	172.4	173.2	0	0	110.7	V75 K76 L77 K111 K115	V75-E79 WeakPolarHBondContact O-CG 3.42Å; V75-E79 PolarHBondContact O-N 2.9Å; K76-E79 VanDerWaalsContact CD-OE2 3.32Å; K76-E79 WeakPolarHBondContact CD-OE2 3.26Å; K76-E79 WeakPolarHBondContact CE-OE2 3.17Å; K76-E79 IonicContact NZ-OE2 2.99Å; K76-E79 PolarHBondContact NZ-OE2 3.19Å; K76-E79 WeakPolarHBondContact O-CB 3.5Å; K76-E79 PolarHBondContact O-N 3.46Å; K76-E79 VanDerWaalsContact O-N 3.14Å; L77-E79 VanDerWaalsContact C-N 3.25Å; L77-E79 PolarHBondContact O-N 3.32Å; E79-K111 PolarHBondContact O-NZ 2.88Å; E79-K115 VanDerWaalsContact OE1-CE 3.27Å; E79-K115 WeakPolarHBondContact OE1-CE 3.32Å; E79-K115 IonicContact OE1-NZ 2.74Å; E79-K115 PolarHBondContact OE1-NZ 3.45Å
80	A	70.9	Confident	83.2	Confident	6 Å²	6	28.9 Å²	28.9	5%	0.05	15%	0.148	C	C	.	.	H	α-helix	trans	-72.9	-26.6	178	0	0	0	0	0	114.2	A41 K76 L77 V216	A41-A80 WeakPolarHBondContact O-CA 3.47Å; A41-A80 WeakPolarHBondContact O-CB 3.16Å; K76-A80 PolarHBondContact O-N 2.97Å; L77-A80 PolarHBondContact O-N 3.39Å; A80-V216 HydrophobicContact CB-CG1 4.49Å
81	L	76.2	Confident	83.5	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.01	15%	0.148	C	C	.	.	S	Bend	trans	-85.4	148.5	-179.3	-65.4	171.3	0	0	0	112.6	V52 L77 V83 V88 K111 L223	V52-L81 HydrophobicContact CG2-CD1 4.27Å; L77-L81 HydrophobicContact CG-CD1 4.22Å; L77-L81 WeakPolarHBondContact O-CG 3.32Å; L77-L81 PolarHBondContact O-N 2.88Å; L81-V83 VanDerWaalsContact C-N 3.34Å; L81-V83 HydrophobicContact CB-CG2 4.35Å; L81-V83 PolarHBondContact O-N 2.92Å; L81-V88 HydrophobicContact CB-CG1 4.26Å; L81-V88 HydrophobicContact CD1-CG1 4.26Å; L81-K111 WeakPolarHBondContact O-CE 3.5Å; L81-K111 PolarHBondContact O-NZ 2.75Å; L81-L223 HydrophobicContact CD2-CD1 4.29Å
82	N	75.9	Confident	83.8	Confident	35 Å²	35	28.3 Å²	28.3	19%	0.187	15%	0.145	C	C	.	.			trans	-82.1	71.3	175.8	-161.2	3.1	0	0	0	112.5	A84 K87 V88	N82-A84 PolarHBondContact O-N 2.9Å; N82-K87 HydrophobicContact CB-CD 4.5Å; N82-K87 VanDerWaalsContact ND2-CD 3.31Å; N82-K87 WeakPolarHBondContact ND2-CD 3.32Å; N82-K87 PolarHBondContact ND2-NZ 2.85Å; N82-K87 WeakPolarHBondContact O-CB 3.49Å; N82-V88 WeakPolarHBondContact O-CB 3.3Å; N82-V88 PolarHBondContact O-N 2.91Å; N82-V88 VanDerWaalsContact O-N 3.17Å
83	V	83.2	Confident	84.4	Confident	9 Å²	9	23.7 Å²	23.7	6%	0.055	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-66.5	112.2	-176.8	-175.3	0	0	0	0	111.3	L81 V88 V90 K111 L114	L81-V83 VanDerWaalsContact C-N 3.34Å; L81-V83 HydrophobicContact CB-CG2 4.35Å; L81-V83 PolarHBondContact O-N 2.92Å; V83-V88 WeakPolarHBondContact CA-O 3.24Å; V83-V90 HydrophobicContact CG2-CG2 4.04Å; V83-K111 HydrophobicContact CB-CG 3.8Å; V83-K111 HydrophobicContact CG2-CG 4.13Å; V83-L114 HydrophobicContact CG1-CD2 3.98Å; V83-L114 HydrophobicContact CG2-CD2 4.07Å
84	A	80.9	Confident	84.9	Confident	18 Å²	18	23.7 Å²	23.7	15%	0.149	12%	0.124	C	C	.	.			trans	-157	156	174.4	0	0	0	0	0	109.8	N82 D86 K87 V88 S109	N82-A84 PolarHBondContact O-N 2.9Å; A84-D86 VanDerWaalsContact CB-OD1 3.29Å; A84-D86 WeakPolarHBondContact CB-OD1 3.4Å; A84-D86 PolarHBondContact O-N 3.36Å; A84-D86 VanDerWaalsContact O-N 3.16Å; A84-K87 HydrophobicContact CB-CB 4.09Å; A84-K87 HydrophobicContact CB-CD 4.39Å; A84-K87 HydrophobicContact CB-CG 4.25Å; A84-K87 PolarHBondContact O-N 2.67Å; A84-K87 VanDerWaalsContact O-N 3.08Å; A84-V88 PolarHBondContact N-O 3.09Å; A84-V88 VanDerWaalsContact N-O 3.09Å; A84-V88 CarbonylContact O-C 3.57Å; A84-V88 VanDerWaalsContact O-O 3.08Å; A84-S109 WeakPolarHBondContact CA-O 3.32Å
85	S	81.1	Confident	85.2	Confident	65 Å²	65	23.9 Å²	23.9	46%	0.455	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27	-177.6	49.6	0	0	0	0	114.1	R89	S85-R89 PolarHBondContact O-NE 3.46Å; S85-R89 PolarHBondContact O-NH2 3Å
86	D	78.7	Confident	85.4	Confident	102 Å²	102	23.7 Å²	23.7	55%	0.545	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-12.8	178.6	64	-37.8	0	0	0	113.3	A84 R146	A84-D86 VanDerWaalsContact CB-OD1 3.29Å; A84-D86 WeakPolarHBondContact CB-OD1 3.4Å; A84-D86 PolarHBondContact O-N 3.36Å; A84-D86 VanDerWaalsContact O-N 3.16Å; D86-R146 PolarHBondContact O-NH1 3.31Å
87	K	81.3	Confident	85.9	Confident	73 Å²	73	23.1 Å²	23.1	32%	0.317	13%	0.129	S	C	.	.	S	Bend	trans	-114.7	-104.8	-175.9	-57.8	-178.8	-173.6	178.4	0	111.8	V49 L50 N82 A84 R146	V49-K87 WeakPolarHBondContact CA-O 3.41Å; L50-K87 PolarHBondContact N-O 3.48Å; L50-K87 VanDerWaalsContact N-O 3.14Å; N82-K87 HydrophobicContact CB-CD 4.5Å; N82-K87 VanDerWaalsContact ND2-CD 3.31Å; N82-K87 WeakPolarHBondContact ND2-CD 3.32Å; N82-K87 PolarHBondContact ND2-NZ 2.85Å; N82-K87 WeakPolarHBondContact O-CB 3.49Å; A84-K87 HydrophobicContact CB-CB 4.09Å; A84-K87 HydrophobicContact CB-CD 4.39Å; A84-K87 HydrophobicContact CB-CG 4.25Å; A84-K87 PolarHBondContact O-N 2.67Å; A84-K87 VanDerWaalsContact O-N 3.08Å; K87-R146 VanDerWaalsContact O-CZ 3.24Å; K87-R146 PolarHBondContact O-NH1 3.01Å; K87-R146 PolarHBondContact O-NH2 3Å
88	V	86.2	Confident	86.3	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	124	178.2	-172.7	0	0	0	0	110.3	C46 L50 V52 L81 N82 V83 A84 V90	C46-V88 HydrophobicContact CB-CG2 4.2Å; L50-V88 HydrophobicContact CB-CG2 4.33Å; L50-V88 WeakPolarHBondContact O-CA 3.48Å; V52-V88 HydrophobicContact CG2-CG1 4.04Å; L81-V88 HydrophobicContact CB-CG1 4.26Å; L81-V88 HydrophobicContact CD1-CG1 4.26Å; N82-V88 WeakPolarHBondContact O-CB 3.3Å; N82-V88 PolarHBondContact O-N 2.91Å; N82-V88 VanDerWaalsContact O-N 3.17Å; V83-V88 WeakPolarHBondContact CA-O 3.24Å; A84-V88 PolarHBondContact N-O 3.09Å; A84-V88 VanDerWaalsContact N-O 3.09Å; A84-V88 CarbonylContact O-C 3.57Å; A84-V88 VanDerWaalsContact O-O 3.08Å; V88-V90 HydrophobicContact CG1-CG2 4.29Å
89	R	90.9	Very high	86.7	Confident	56 Å²	56	29 Å²	29	21%	0.211	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139.1	172.5	-70.2	-175.4	-175.5	-170.2	-0.2	110	L50 V52 S85 L105 G144	L50-R89 PolarHBondContact O-N 2.88Å; V52-R89 PolarHBondContact N-O 2.82Å; S85-R89 PolarHBondContact O-NE 3.46Å; S85-R89 PolarHBondContact O-NH2 3Å; R89-L105 HydrophobicContact CB-CB 4.07Å; R89-L105 HydrophobicContact CB-CD2 4.11Å; R89-L105 WeakPolarHBondContact CB-O 3.44Å; R89-L105 WeakPolarHBondContact O-CD2 3.04Å; R89-G144 PolarHBondContact NH1-O 2.81Å
90	V	93.3	Very high	87.4	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.5	-176.3	-176.9	0	0	0	0	110.3	V52 F54 V83 V88 F103 L114	V52-V90 VanDerWaalsContact O-CA 3.3Å; V52-V90 WeakPolarHBondContact O-CA 3.41Å; F54-V90 HydrophobicContact CD2-CG1 3.77Å; F54-V90 HydrophobicContact CE2-CG1 3.62Å; V83-V90 HydrophobicContact CG2-CG2 4.04Å; V88-V90 HydrophobicContact CG1-CG2 4.29Å; V90-F103 WeakPolarHBondContact O-CE2 3.42Å; V90-L114 HydrophobicContact CB-CD1 4.32Å; V90-L114 HydrophobicContact CB-CD2 3.72Å; V90-L114 HydrophobicContact CG1-CD1 4.32Å; V90-L114 HydrophobicContact CG1-CD2 4.05Å; V90-L114 HydrophobicContact CG2-CD2 3.92Å
91	G	94.8	Very high	88.6	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	161.4	173.1	0	0	0	0	0	111.4	V52 F54	V52-G91 PolarHBondContact O-N 2.77Å; F54-G91 PolarHBondContact N-O 3.45Å
92	L	97.1	Very high	89.5	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	130.6	176.7	-170.8	153.1	0	0	0	112.3	F54 M56 Q94 E102 F103 L118 I121	F54-L92 HydrophobicContact CB-CB 4.31Å; F54-L92 HydrophobicContact CB-CD1 4.14Å; F54-L92 HydrophobicContact CB-CG 3.99Å; M56-L92 HydrophobicContact CB-CD2 4.48Å; M56-L92 HydrophobicContact CE-CD1 3.75Å; M56-L92 HydrophobicContact SD-CD1 4.36Å; L92-Q94 HydrophobicContact CD2-CB 4.33Å; L92-E102 HydrophobicContact CD2-CB 3.78Å; L92-E102 HydrophobicContact CD2-CG 3.56Å; L92-E102 PolarHBondContact O-N 3.1Å; L92-F103 HydrophobicContact CB-CD1 4.17Å; L92-F103 HydrophobicContact CB-CE1 3.57Å; L92-F103 HydrophobicContact CB-CE2 4.1Å; L92-F103 HydrophobicContact CB-CZ 3.51Å; L92-F103 HydrophobicContact CD1-CE1 4.45Å; L92-F103 PolarHBondContact N-O 2.88Å; L92-F103 VanDerWaalsContact N-O 3.11Å; L92-F103 PolarHBondContact O-N 3.4Å; L92-L118 HydrophobicContact CD1-CD2 3.49Å; L92-L118 VanDerWaalsContact CD1-CD2 3.49Å; L92-I121 HydrophobicContact CD1-CD1 3.84Å; L92-I121 HydrophobicContact CD2-CD1 3.9Å; L92-I121 HydrophobicContact CG-CD1 4.43Å
93	I	96.7	Very high	90.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.8	169.3	-65.4	165.6	0	0	0	107.7	L53 F54 L55 M56 P99 R100 L101 Y136 V137	L53-I93 HydrophobicContact CD1-CD1 4.11Å; L53-I93 HydrophobicContact CD1-CG1 4.23Å; L53-I93 HydrophobicContact CD2-CD1 3.99Å; L53-I93 HydrophobicContact CG-CD1 4.4Å; F54-I93 PolarHBondContact O-N 3.19Å; L55-I93 WeakPolarHBondContact CA-O 3.29Å; L55-I93 HydrophobicContact CD2-CB 3.96Å; L55-I93 HydrophobicContact CD2-CD1 4.12Å; L55-I93 HydrophobicContact CD2-CG2 4.2Å; M56-I93 PolarHBondContact N-O 2.98Å; I93-P99 HydrophobicContact CG2-CB 4.03Å; I93-R100 CarbonylContact C-O 3.58Å; I93-R100 WeakPolarHBondContact CA-O 3.23Å; I93-R100 WeakPolarHBondContact CG2-O 3.25Å; I93-L101 HydrophobicContact CD1-CD1 4.43Å; I93-L101 HydrophobicContact CG1-CD1 3.68Å; I93-Y136 HydrophobicContact CD1-CD1 3.89Å; I93-Y136 HydrophobicContact CD1-CE1 3.85Å; I93-Y136 HydrophobicContact CG1-CE1 4.44Å; I93-V137 HydrophobicContact CD1-CG2 3.95Å
94	Q	96.4	Very high	91	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.014	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	134.6	170.7	-171.1	-172.6	38.7	0	0	108.7	M56 F67 L92 R100 E102 S122 R124	M56-Q94 WeakPolarHBondContact O-CA 3.38Å; F67-Q94 HydrophobicContact CE2-CG 4.21Å; F67-Q94 VanDerWaalsContact CE2-NE2 3.26Å; F67-Q94 HydrophobicContact CZ-CG 4.42Å; L92-Q94 HydrophobicContact CD2-CB 4.33Å; Q94-R100 PolarHBondContact N-O 3.15Å; Q94-R100 PolarHBondContact O-N 3.36Å; Q94-E102 HydrophobicContact CB-CG 3.92Å; Q94-S122 PolarHBondContact NE2-O 2.94Å; Q94-S122 PolarHBondContact OE1-O 3.27Å; Q94-R124 VanDerWaalsContact OE1-NH1 3.12Å
95	F	94.5	Very high	91.5	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.013	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.7	177.3	73.5	-85.8	0	0	0	112.7	L55 M56 D57 G58 P99 T130 A133 L157	L55-F95 HydrophobicContact CB-CD1 4.45Å; L55-F95 HydrophobicContact CB-CE1 4.25Å; M56-F95 WeakPolarHBondContact O-CD1 3.05Å; M56-F95 PolarHBondContact O-N 2.95Å; D57-F95 HydrophobicContact CB-CE1 3.92Å; D57-F95 HydrophobicContact CB-CE2 4.09Å; D57-F95 HydrophobicContact CB-CZ 3.55Å; G58-F95 PolarHBondContact N-O 3.31Å; F95-P99 HydrophobicContact CB-CB 4.07Å; F95-T130 HydrophobicContact CZ-CG2 4.43Å; F95-A133 HydrophobicContact CB-CB 3.76Å; F95-A133 HydrophobicContact CD1-CB 3.85Å; F95-A133 HydrophobicContact CD2-CB 4.01Å; F95-A133 HydrophobicContact CE1-CB 4.47Å; F95-A133 HydrophobicContact CG-CB 3.59Å; F95-L157 HydrophobicContact CE1-CD1 3.59Å; F95-L157 HydrophobicContact CZ-CD1 3.68Å
96	G	91.4	Very high	91.9	Very high	4 Å²	4	38 Å²	38	4%	0.041	19%	0.194	C	C	.	.	S	Bend	trans	-152.7	-111.8	172.7	0	0	0	0	0	106.3	V98 S127 Q129	G96-V98 VanDerWaalsContact C-N 3.3Å; G96-V98 PolarHBondContact O-N 2.83Å; G96-S127 CarbonylContact C-O 3.55Å; G96-S127 WeakPolarHBondContact CA-O 3.32Å; G96-S127 VanDerWaalsContact O-O 3.05Å; G96-Q129 VanDerWaalsContact O-CB 3.32Å; G96-Q129 WeakPolarHBondContact O-CB 3.25Å; G96-Q129 PolarHBondContact O-N 3.42Å; G96-Q129 VanDerWaalsContact O-N 3.11Å
97	S	90.3	Very high	92.5	Very high	53 Å²	53	35.9 Å²	35.9	37%	0.371	19%	0.187	S	C	.	.	S	Bend	trans	-65.5	-34.4	169.7	-62.7	0	0	0	0	112.9	S127	S97-S127 WeakPolarHBondContact CA-OG 3.31Å; S97-S127 WeakPolarHBondContact CB-OG 3.36Å; S97-S127 PolarHBondContact N-O 2.78Å; S97-S127 VanDerWaalsContact N-O 3.14Å; S97-S127 PolarHBondContact OG-N 2.02Å; S97-S127 PolarHBondContact OG-OG 3.25Å
98	V	89.2	Confident	93	Very high	114 Å²	114	34.2 Å²	34.2	69%	0.691	18%	0.18	S	C	*	.	S	Bend	trans	-137.2	136.9	179.1	-176.3	0	0	0	0	108.7	G96	G96-V98 VanDerWaalsContact C-N 3.3Å; G96-V98 PolarHBondContact O-N 2.83Å
99	P	93.5	Very high	92.8	Very high	16 Å²	16	37 Å²	37	10%	0.104	20%	0.2	C	C	.	.			trans	-73.3	137.5	172.6	28.7	-32.9	0	0	0	111.5	I93 F95 A133 Y136	I93-P99 HydrophobicContact CG2-CB 4.03Å; F95-P99 HydrophobicContact CB-CB 4.07Å; P99-A133 HydrophobicContact CB-CB 4.32Å; P99-Y136 HydrophobicContact CB-CD1 4.47Å; P99-Y136 HydrophobicContact CB-CD2 4.34Å; P99-Y136 HydrophobicContact CB-CG 4.05Å; P99-Y136 HydrophobicContact CG-CD2 3.77Å; P99-Y136 HydrophobicContact CG-CG 3.74Å
100	R	93.5	Very high	92.5	Very high	147 Å²	147	36.8 Å²	36.8	56%	0.555	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	134.6	174.3	-166.9	-161.7	179	151.7	-15.6	110.2	I93 Q94 E102 R124	I93-R100 CarbonylContact C-O 3.58Å; I93-R100 WeakPolarHBondContact CA-O 3.23Å; I93-R100 WeakPolarHBondContact CG2-O 3.25Å; Q94-R100 PolarHBondContact N-O 3.15Å; Q94-R100 PolarHBondContact O-N 3.36Å; R100-E102 PolarHBondContact O-N 3.46Å; R100-R124 VanDerWaalsContact CZ-NH2 3.35Å; R100-R124 VanDerWaalsContact NH1-NH2 3.2Å
101	L	95.1	Very high	92.1	Very high	53 Å²	53	40.4 Å²	40.4	28%	0.277	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	121.9	169.7	-173.4	67.3	0	0	0	109.4	I93 F103 P143	I93-L101 HydrophobicContact CD1-CD1 4.43Å; I93-L101 HydrophobicContact CG1-CD1 3.68Å; L101-F103 VanDerWaalsContact CD1-O 3.29Å; L101-F103 WeakPolarHBondContact CD1-O 3.49Å; L101-P143 HydrophobicContact CD1-CG 4.21Å; L101-P143 HydrophobicContact CD2-CB 4.04Å; L101-P143 HydrophobicContact CD2-CG 4.26Å
102	E	95.7	Very high	91.7	Very high	42 Å²	42	48.4 Å²	48.4	20%	0.196	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-44.8	170.6	-65.3	-59.5	133.6	0	0	110	L92 Q94 R100 I121 R124	L92-E102 HydrophobicContact CD2-CB 3.78Å; L92-E102 HydrophobicContact CD2-CG 3.56Å; L92-E102 PolarHBondContact O-N 3.1Å; Q94-E102 HydrophobicContact CB-CG 3.92Å; R100-E102 PolarHBondContact O-N 3.46Å; E102-I121 HydrophobicContact CB-CD1 4.26Å; E102-I121 HydrophobicContact CG-CD1 4.33Å; E102-I121 HydrophobicContact CG-CG2 4.22Å; E102-R124 IonicContact OE1-CZ 2.6Å; E102-R124 IonicContact OE1-NH1 2.8Å; E102-R124 PolarHBondContact OE1-NH1 3.36Å; E102-R124 IonicContact OE1-NH2 2.78Å; E102-R124 PolarHBondContact OE1-NH2 3.3Å; E102-R124 IonicContact OE2-NH2 2.86Å
103	F	95.1	Very high	91.3	Very high	9 Å²	9	53 Å²	53	4%	0.039	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	150	171.5	57.2	-93.6	0	0	0	111.6	V90 L92 L101 F108 L114 H117 L118 I121	V90-F103 WeakPolarHBondContact O-CE2 3.42Å; L92-F103 HydrophobicContact CB-CD1 4.17Å; L92-F103 HydrophobicContact CB-CE1 3.57Å; L92-F103 HydrophobicContact CB-CE2 4.1Å; L92-F103 HydrophobicContact CB-CZ 3.51Å; L92-F103 HydrophobicContact CD1-CE1 4.45Å; L92-F103 PolarHBondContact N-O 2.88Å; L92-F103 VanDerWaalsContact N-O 3.11Å; L92-F103 PolarHBondContact O-N 3.4Å; L101-F103 VanDerWaalsContact CD1-O 3.29Å; L101-F103 WeakPolarHBondContact CD1-O 3.49Å; F103-F108 HydrophobicContact CB-CE2 3.81Å; F103-F108 HydrophobicContact CD1-CE2 4.02Å; F103-F108 AromaticContact CD2-CD2 3.85Å; F103-F108 HydrophobicContact CD2-CD2 3.85Å; F103-F108 AromaticContact CD2-CE2 3.75Å; F103-F108 HydrophobicContact CD2-CE2 3.75Å; F103-F108 HydrophobicContact CE2-CD2 4.18Å; F103-F108 HydrophobicContact CE2-CE2 4.29Å; F103-F108 HydrophobicContact CG-CD2 4.2Å; F103-F108 AromaticContact CG-CE2 3.6Å; F103-F108 HydrophobicContact CG-CE2 3.6Å; F103-L114 HydrophobicContact CD2-CD1 4.4Å; F103-L114 HydrophobicContact CE2-CD1 3.43Å; F103-L114 VanDerWaalsContact CE2-CD1 3.43Å; F103-L114 HydrophobicContact CZ-CD1 3.51Å; F103-H117 AromaticContact CD1-CD2 3.48Å; F103-H117 VanDerWaalsContact CD1-CD2 3.48Å; F103-H117 WeakPolarHBondContact CD1-CD2 3.36Å; F103-H117 AromaticContact CD1-NE2 3.95Å; F103-H117 AromaticContact CE1-CD2 3.9Å; F103-L118 HydrophobicContact CE1-CD2 3.99Å; F103-L118 HydrophobicContact CE1-CG 4.42Å; F103-L118 HydrophobicContact CZ-CD2 3.83Å; F103-L118 HydrophobicContact CZ-CG 4.19Å; F103-I121 HydrophobicContact CE1-CD1 4.03Å
104	S	94.4	Very high	91	Very high	24 Å²	24	53 Å²	53	17%	0.168	28%	0.279	C	S	.	.			trans	-80.8	164.5	177.5	58.1	0	0	0	0	112	D106 S107 P143	S104-D106 WeakPolarHBondContact CB-OD1 2.97Å; S104-D106 PolarHBondContact O-N 2.91Å; S104-D106 PolarHBondContact OG-OD1 2.82Å; S104-S107 PolarHBondContact N-OG 2.89Å; S104-S107 VanDerWaalsContact N-OG 3.1Å; S104-S107 VanDerWaalsContact O-CB 3.25Å; S104-S107 WeakPolarHBondContact O-CB 3.35Å; S104-S107 PolarHBondContact O-N 3.25Å; S104-S107 VanDerWaalsContact O-N 3.12Å; S104-S107 PolarHBondContact O-OG 3.45Å; S104-S107 PolarHBondContact OG-OG 3.37Å; S104-P143 VanDerWaalsContact CB-O 3.3Å; S104-P143 WeakPolarHBondContact CB-O 2.86Å
105	L	91.9	Very high	90.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.7	-178.1	-75.3	147.5	0	0	0	113.9	D51 V52 R89 F142 P143	D51-L105 HydrophobicContact CB-CD1 4.48Å; D51-L105 HydrophobicContact CB-CD2 4.1Å; V52-L105 VanDerWaalsContact O-CD2 3.28Å; V52-L105 WeakPolarHBondContact O-CD2 3.41Å; R89-L105 HydrophobicContact CB-CB 4.07Å; R89-L105 HydrophobicContact CB-CD2 4.11Å; R89-L105 WeakPolarHBondContact CB-O 3.44Å; R89-L105 WeakPolarHBondContact O-CD2 3.04Å; L105-F142 HydrophobicContact CD1-CB 3.48Å; L105-F142 VanDerWaalsContact CD1-CB 3.48Å; L105-F142 HydrophobicContact CD1-CD1 3.66Å; L105-F142 HydrophobicContact CD1-CG 3.98Å; L105-P143 PolarHBondContact N-O 3.01Å
106	D	90.7	Very high	90.4	Very high	97 Å²	97	63 Å²	63	52%	0.519	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	2.5	178.8	59.8	-13.5	0	0	0	113.6	S104 F108 G144	S104-D106 WeakPolarHBondContact CB-OD1 2.97Å; S104-D106 PolarHBondContact O-N 2.91Å; S104-D106 PolarHBondContact OG-OD1 2.82Å; D106-F108 VanDerWaalsContact C-N 3.34Å; D106-F108 PolarHBondContact O-N 2.64Å; D106-G144 VanDerWaalsContact CG-CA 3.46Å; D106-G144 WeakPolarHBondContact OD1-CA 3.46Å
107	S	90.6	Very high	90.4	Very high	56 Å²	56	65.9 Å²	65.9	39%	0.392	33%	0.334	S	S	.	.	S	Bend	trans	-69.1	-29	-177.2	-69.9	0	0	0	0	113.8	S104	S104-S107 PolarHBondContact N-OG 2.89Å; S104-S107 VanDerWaalsContact N-OG 3.1Å; S104-S107 VanDerWaalsContact O-CB 3.25Å; S104-S107 WeakPolarHBondContact O-CB 3.35Å; S104-S107 PolarHBondContact O-N 3.25Å; S104-S107 VanDerWaalsContact O-N 3.12Å; S104-S107 PolarHBondContact O-OG 3.45Å; S104-S107 PolarHBondContact OG-OG 3.37Å
108	F	90.8	Very high	90.4	Very high	39 Å²	39	63.3 Å²	63.3	17%	0.171	32%	0.317	C	S	.	.			trans	-135.4	131.4	-175.5	-56.7	-66.6	0	0	0	111.2	F103 D106 E113 L114 H117	F103-F108 HydrophobicContact CB-CE2 3.81Å; F103-F108 HydrophobicContact CD1-CE2 4.02Å; F103-F108 AromaticContact CD2-CD2 3.85Å; F103-F108 HydrophobicContact CD2-CD2 3.85Å; F103-F108 AromaticContact CD2-CE2 3.75Å; F103-F108 HydrophobicContact CD2-CE2 3.75Å; F103-F108 HydrophobicContact CE2-CD2 4.18Å; F103-F108 HydrophobicContact CE2-CE2 4.29Å; F103-F108 HydrophobicContact CG-CD2 4.2Å; F103-F108 AromaticContact CG-CE2 3.6Å; F103-F108 HydrophobicContact CG-CE2 3.6Å; D106-F108 VanDerWaalsContact C-N 3.34Å; D106-F108 PolarHBondContact O-N 2.64Å; F108-E113 HydrophobicContact CD1-CB 3.94Å; F108-L114 HydrophobicContact CB-CB 4.14Å; F108-L114 HydrophobicContact CD2-CD1 3.81Å; F108-L114 HydrophobicContact CG-CB 4.44Å; F108-L114 HydrophobicContact CG-CD1 4.47Å; F108-H117 HydrophobicContact CE1-CB 4.2Å; F108-H117 HydrophobicContact CE2-CB 3.87Å; F108-H117 AromaticContact CE2-CD2 3.96Å; F108-H117 AromaticContact CE2-CG 3.82Å; F108-H117 HydrophobicContact CZ-CB 3.56Å; F108-H117 AromaticContact CZ-CD2 3.91Å; F108-H117 AromaticContact CZ-CG 3.4Å; F108-H117 VanDerWaalsContact CZ-CG 3.4Å; F108-H117 AromaticContact CZ-ND1 3.63Å
109	S	82	Confident	90.4	Very high	59 Å²	59	64 Å²	64	41%	0.413	31%	0.31	S	S	.	.	S	Bend	trans	-104.7	-6.3	-179.4	55.3	0	0	0	0	113.1	A84	A84-S109 WeakPolarHBondContact CA-O 3.32Å
110	T	85.4	Confident	90.2	Very high	51 Å²	51	70.5 Å²	70.5	31%	0.313	34%	0.337	S	S	.	.	S	Bend	trans	-129.5	146.1	-179.2	70.9	0	0	0	0	112.7	Q112 E113 L114	T110-Q112 PolarHBondContact O-N 2.9Å; T110-E113 PolarHBondContact O-N 3.4Å; T110-E113 WeakPolarHBondContact OG1-CB 3.42Å; T110-E113 VanDerWaalsContact OG1-CD 3.29Å; T110-E113 VanDerWaalsContact OG1-CG 3.24Å; T110-E113 WeakPolarHBondContact OG1-CG 3.36Å; T110-E113 PolarHBondContact OG1-N 3.36Å; T110-E113 PolarHBondContact OG1-OE2 3.26Å; T110-L114 WeakPolarHBondContact O-CB 3.49Å; T110-L114 PolarHBondContact O-N 2.95Å
111	K	84.6	Confident	90.2	Very high	78 Å²	78	63.8 Å²	63.8	34%	0.339	31%	0.312	S	S	.	.	H	α-helix	trans	-55.9	-38.2	175.1	-67.4	-174.1	-173.4	-157.1	0	112.7	E79 L81 V83 K115	E79-K111 PolarHBondContact O-NZ 2.88Å; L81-K111 WeakPolarHBondContact O-CE 3.5Å; L81-K111 PolarHBondContact O-NZ 2.75Å; V83-K111 HydrophobicContact CB-CG 3.8Å; V83-K111 HydrophobicContact CG2-CG 4.13Å; K111-K115 VanDerWaalsContact O-CB 3.24Å; K111-K115 WeakPolarHBondContact O-CB 3.49Å; K111-K115 PolarHBondContact O-N 3.04Å
112	Q	87.1	Confident	90.1	Very high	168 Å²	168	64.6 Å²	64.6	79%	0.785	32%	0.322	S	S	*	.	H	α-helix	trans	-68.5	-44.7	-174.1	-68.2	168.5	-15.5	0	0	111.7	T110 K116	T110-Q112 PolarHBondContact O-N 2.9Å; Q112-K116 WeakPolarHBondContact O-CB 3.22Å; Q112-K116 PolarHBondContact O-N 3.27Å
113	E	88.6	Confident	90	Very high	97 Å²	97	65.2 Å²	65.2	45%	0.453	32%	0.323	S	S	.	.	H	α-helix	trans	-67.1	-46	177.4	-69.8	170.4	158.1	0	0	111.6	F108 T110 K115 K116 H117	F108-E113 HydrophobicContact CD1-CB 3.94Å; T110-E113 PolarHBondContact O-N 3.4Å; T110-E113 WeakPolarHBondContact OG1-CB 3.42Å; T110-E113 VanDerWaalsContact OG1-CD 3.29Å; T110-E113 VanDerWaalsContact OG1-CG 3.24Å; T110-E113 WeakPolarHBondContact OG1-CG 3.36Å; T110-E113 PolarHBondContact OG1-N 3.36Å; T110-E113 PolarHBondContact OG1-OE2 3.26Å; E113-K115 PolarHBondContact O-N 2.83Å; E113-K116 WeakPolarHBondContact O-CB 3.01Å; E113-K116 PolarHBondContact O-N 2.89Å; E113-H117 PolarHBondContact O-N 3.47Å
114	L	89.7	Confident	89.7	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-56.7	-48.8	176.4	178.6	65.4	0	0	0	111.3	C78 V83 V90 F103 F108 T110 K116 H117 L118	C78-L114 HydrophobicContact CB-CD2 4.02Å; V83-L114 HydrophobicContact CG1-CD2 3.98Å; V83-L114 HydrophobicContact CG2-CD2 4.07Å; V90-L114 HydrophobicContact CB-CD1 4.32Å; V90-L114 HydrophobicContact CB-CD2 3.72Å; V90-L114 HydrophobicContact CG1-CD1 4.32Å; V90-L114 HydrophobicContact CG1-CD2 4.05Å; V90-L114 HydrophobicContact CG2-CD2 3.92Å; F103-L114 HydrophobicContact CD2-CD1 4.4Å; F103-L114 HydrophobicContact CE2-CD1 3.43Å; F103-L114 VanDerWaalsContact CE2-CD1 3.43Å; F103-L114 HydrophobicContact CZ-CD1 3.51Å; F108-L114 HydrophobicContact CB-CB 4.14Å; F108-L114 HydrophobicContact CD2-CD1 3.81Å; F108-L114 HydrophobicContact CG-CB 4.44Å; F108-L114 HydrophobicContact CG-CD1 4.47Å; T110-L114 WeakPolarHBondContact O-CB 3.49Å; T110-L114 PolarHBondContact O-N 2.95Å; L114-K116 VanDerWaalsContact C-N 3.35Å; L114-K116 PolarHBondContact O-N 2.91Å; L114-H117 PolarHBondContact O-N 3.27Å; L114-L118 HydrophobicContact CD1-CD1 4.27Å; L114-L118 HydrophobicContact CD1-CG 4.33Å; L114-L118 HydrophobicContact CG-CD1 3.98Å; L114-L118 HydrophobicContact CG-CG 4.47Å; L114-L118 WeakPolarHBondContact O-CB 3.44Å; L114-L118 WeakPolarHBondContact O-CG 3.25Å; L114-L118 PolarHBondContact O-N 2.9Å
115	K	89.8	Confident	89.4	Confident	74 Å²	74	68.4 Å²	68.4	32%	0.322	33%	0.334	S	S	.	.	H	α-helix	trans	-60.9	-42	177.4	176.5	171.3	177.2	178.5	0	112.1	V75 E79 K111 E113 H117 K119	V75-K115 HydrophobicContact CG1-CD 4.04Å; V75-K115 HydrophobicContact CG1-CG 3.9Å; E79-K115 VanDerWaalsContact OE1-CE 3.27Å; E79-K115 WeakPolarHBondContact OE1-CE 3.32Å; E79-K115 IonicContact OE1-NZ 2.74Å; E79-K115 PolarHBondContact OE1-NZ 3.45Å; K111-K115 VanDerWaalsContact O-CB 3.24Å; K111-K115 WeakPolarHBondContact O-CB 3.49Å; K111-K115 PolarHBondContact O-N 3.04Å; E113-K115 PolarHBondContact O-N 2.83Å; K115-H117 VanDerWaalsContact C-N 3.3Å; K115-H117 PolarHBondContact O-N 3.12Å; K115-K119 WeakPolarHBondContact O-CG 3.05Å; K115-K119 PolarHBondContact O-N 3.34Å
116	K	89.6	Confident	89.2	Confident	141 Å²	141	69.1 Å²	69.1	61%	0.613	34%	0.342	S	S	*	.	H	α-helix	trans	-62.6	-39.7	177.4	-175.3	178.9	-179.3	179.6	0	111.1	Q112 E113 L114 K120	Q112-K116 WeakPolarHBondContact O-CB 3.22Å; Q112-K116 PolarHBondContact O-N 3.27Å; E113-K116 WeakPolarHBondContact O-CB 3.01Å; E113-K116 PolarHBondContact O-N 2.89Å; L114-K116 VanDerWaalsContact C-N 3.35Å; L114-K116 PolarHBondContact O-N 2.91Å; K116-K120 WeakPolarHBondContact O-CG 3.38Å
117	H	90.8	Very high	89.1	Confident	64 Å²	64	66 Å²	66	30%	0.296	33%	0.327	S	S	.	.	H	α-helix	trans	-75.1	-44.7	179.9	-162.8	88.6	0	0	0	112.4	F103 F108 E113 L114 K115 K119 K120	F103-H117 AromaticContact CD1-CD2 3.48Å; F103-H117 VanDerWaalsContact CD1-CD2 3.48Å; F103-H117 WeakPolarHBondContact CD1-CD2 3.36Å; F103-H117 AromaticContact CD1-NE2 3.95Å; F103-H117 AromaticContact CE1-CD2 3.9Å; F108-H117 HydrophobicContact CE1-CB 4.2Å; F108-H117 HydrophobicContact CE2-CB 3.87Å; F108-H117 AromaticContact CE2-CD2 3.96Å; F108-H117 AromaticContact CE2-CG 3.82Å; F108-H117 HydrophobicContact CZ-CB 3.56Å; F108-H117 AromaticContact CZ-CD2 3.91Å; F108-H117 AromaticContact CZ-CG 3.4Å; F108-H117 VanDerWaalsContact CZ-CG 3.4Å; F108-H117 AromaticContact CZ-ND1 3.63Å; E113-H117 PolarHBondContact O-N 3.47Å; L114-H117 PolarHBondContact O-N 3.27Å; K115-H117 VanDerWaalsContact C-N 3.3Å; K115-H117 PolarHBondContact O-N 3.12Å; H117-K119 PolarHBondContact O-N 3.27Å; H117-K120 WeakPolarHBondContact O-CB 3.21Å; H117-K120 PolarHBondContact O-N 2.96Å
118	L	90.5	Very high	89	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-51.6	-42.6	175.8	-81.3	169.9	0	0	0	112.1	K71 A74 V75 L92 F103 L114 K120 I121	K71-L118 WeakPolarHBondContact CD-O 3.45Å; A74-L118 HydrophobicContact CB-CD2 4.43Å; V75-L118 HydrophobicContact CG2-CB 3.86Å; V75-L118 HydrophobicContact CG2-CD1 4.11Å; L92-L118 HydrophobicContact CD1-CD2 3.49Å; L92-L118 VanDerWaalsContact CD1-CD2 3.49Å; F103-L118 HydrophobicContact CE1-CD2 3.99Å; F103-L118 HydrophobicContact CE1-CG 4.42Å; F103-L118 HydrophobicContact CZ-CD2 3.83Å; F103-L118 HydrophobicContact CZ-CG 4.19Å; L114-L118 HydrophobicContact CD1-CD1 4.27Å; L114-L118 HydrophobicContact CD1-CG 4.33Å; L114-L118 HydrophobicContact CG-CD1 3.98Å; L114-L118 HydrophobicContact CG-CG 4.47Å; L114-L118 WeakPolarHBondContact O-CB 3.44Å; L114-L118 WeakPolarHBondContact O-CG 3.25Å; L114-L118 PolarHBondContact O-N 2.9Å; L118-K120 VanDerWaalsContact C-N 3.27Å; L118-K120 PolarHBondContact O-N 3.33Å; L118-I121 HydrophobicContact CD2-CD1 4.16Å; L118-I121 PolarHBondContact O-N 2.95Å
119	K	88.1	Confident	89.1	Confident	127 Å²	127	63.6 Å²	63.6	55%	0.552	31%	0.311	S	S	*	.	H	α-helix	trans	-63	-30.3	178.2	-73.4	-179.9	177.1	-168.6	0	113.8	K71 V75 K115 H117	K71-K119 PolarHBondContact NZ-O 3.32Å; V75-K119 HydrophobicContact CG2-CG 4.43Å; K115-K119 WeakPolarHBondContact O-CG 3.05Å; K115-K119 PolarHBondContact O-N 3.34Å; H117-K119 PolarHBondContact O-N 3.27Å
120	K	90.9	Very high	89.5	Confident	153 Å²	153	60.8 Å²	60.8	67%	0.665	29%	0.291	S	S	*	.	H	α-helix	trans	-82.1	-11.9	-175.8	-70.8	-179.4	176.9	-168.9	0	114.2	K116 H117 L118 S122	K116-K120 WeakPolarHBondContact O-CG 3.38Å; H117-K120 WeakPolarHBondContact O-CB 3.21Å; H117-K120 PolarHBondContact O-N 2.96Å; L118-K120 VanDerWaalsContact C-N 3.27Å; L118-K120 PolarHBondContact O-N 3.33Å; K120-S122 PolarHBondContact O-N 3.03Å
121	I	93.5	Very high	89.7	Confident	6 Å²	6	58.6 Å²	58.6	3%	0.031	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-63.3	127.7	-179.5	-62.2	168.5	0	0	0	109.8	F67 K71 L92 E102 F103 L118	F67-I121 HydrophobicContact CE1-CG2 4.36Å; F67-I121 HydrophobicContact CZ-CG2 3.96Å; K71-I121 HydrophobicContact CD-CB 4.23Å; K71-I121 PolarHBondContact NZ-O 3.49Å; L92-I121 HydrophobicContact CD1-CD1 3.84Å; L92-I121 HydrophobicContact CD2-CD1 3.9Å; L92-I121 HydrophobicContact CG-CD1 4.43Å; E102-I121 HydrophobicContact CB-CD1 4.26Å; E102-I121 HydrophobicContact CG-CD1 4.33Å; E102-I121 HydrophobicContact CG-CG2 4.22Å; F103-I121 HydrophobicContact CE1-CD1 4.03Å; L118-I121 HydrophobicContact CD2-CD1 4.16Å; L118-I121 PolarHBondContact O-N 2.95Å
122	S	92.2	Very high	90.1	Very high	70 Å²	70	58.5 Å²	58.5	49%	0.49	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-88.6	139.2	179.8	58.9	0	0	0	0	111.9	Q94 K120	Q94-S122 PolarHBondContact NE2-O 2.94Å; Q94-S122 PolarHBondContact OE1-O 3.27Å; K120-S122 PolarHBondContact O-N 3.03Å
123	Y	93.4	Very high	90.3	Very high	55 Å²	55	50.5 Å²	50.5	22%	0.216	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-64.1	136.5	167.5	172.9	-106.1	0	0	0	111.1	G58 S59 Y60 K64 F67	G58-Y123 WeakPolarHBondContact O-CE2 3.37Å; S59-Y123 WeakPolarHBondContact O-CE2 3.36Å; S59-Y123 PolarHBondContact O-OH 3.09Å; Y60-Y123 VanDerWaalsContact CA-OH 3.32Å; Y60-Y123 WeakPolarHBondContact CA-OH 2.85Å; K64-Y123 HydrophobicContact CB-CD1 4.1Å; K64-Y123 HydrophobicContact CB-CE1 4.44Å; K64-Y123 HydrophobicContact CB-CG 4.38Å; K64-Y123 HydrophobicContact CG-CD1 4.41Å; K64-Y123 HydrophobicContact CG-CG 4.5Å; F67-Y123 HydrophobicContact CB-CD2 3.65Å; F67-Y123 HydrophobicContact CB-CE2 4.32Å; F67-Y123 HydrophobicContact CB-CG 4.41Å; F67-Y123 HydrophobicContact CD1-CD2 4.13Å; F67-Y123 HydrophobicContact CD1-CG 4.39Å; F67-Y123 HydrophobicContact CD2-CD2 4.11Å; F67-Y123 AromaticContact CG-CD2 3.69Å; F67-Y123 HydrophobicContact CG-CD2 3.69Å; F67-Y123 HydrophobicContact CG-CG 4.38Å
124	R	89.8	Confident	90.6	Very high	91 Å²	91	45.9 Å²	45.9	34%	0.343	22%	0.222	S	C	.	.			trans	-113.5	-28.5	-174.4	-74.4	-167.1	175.5	126	10.1	115.9	Q94 R100 E102	Q94-R124 VanDerWaalsContact OE1-NH1 3.12Å; R100-R124 VanDerWaalsContact CZ-NH2 3.35Å; R100-R124 VanDerWaalsContact NH1-NH2 3.2Å; E102-R124 IonicContact OE1-CZ 2.6Å; E102-R124 IonicContact OE1-NH1 2.8Å; E102-R124 PolarHBondContact OE1-NH1 3.36Å; E102-R124 IonicContact OE1-NH2 2.78Å; E102-R124 PolarHBondContact OE1-NH2 3.3Å; E102-R124 IonicContact OE2-NH2 2.86Å
125	G	86.6	Confident	90.8	Very high	10 Å²	10	51.1 Å²	51.1	10%	0.103	25%	0.245	C	C	.	.			trans	71	-168.4	-171.7	0	0	0	0	0	113.5	G58	G58-G125 CarbonylContact O-C 3.6Å; G58-G125 WeakPolarHBondContact O-CA 3.46Å; G58-G125 PolarHBondContact O-N 2.82Å
126	G	89.2	Confident	90.9	Very high	15 Å²	15	50.6 Å²	50.6	16%	0.155	24%	0.242	C	C	.	.			trans	112.9	-174.8	-175.3	0	0	0	0	0	112.7	Y60	Y60-G126 VanDerWaalsContact CD2-O 3.27Å; Y60-G126 WeakPolarHBondContact CD2-O 3.48Å; Y60-G126 PolarHBondContact N-O 3.46Å
127	S	87.9	Confident	91.1	Very high	31 Å²	31	44 Å²	44	22%	0.217	21%	0.213	C	C	.	.			trans	-67.9	170.1	169.4	48.1	0	0	0	0	111.9	S59 G96 S97	S59-S127 VanDerWaalsContact CB-O 3.23Å; S59-S127 WeakPolarHBondContact CB-O 3.13Å; G96-S127 CarbonylContact C-O 3.55Å; G96-S127 WeakPolarHBondContact CA-O 3.32Å; G96-S127 VanDerWaalsContact O-O 3.05Å; S97-S127 WeakPolarHBondContact CA-OG 3.31Å; S97-S127 WeakPolarHBondContact CB-OG 3.36Å; S97-S127 PolarHBondContact N-O 2.78Å; S97-S127 VanDerWaalsContact N-O 3.14Å; S97-S127 PolarHBondContact OG-N 2.02Å; S97-S127 PolarHBondContact OG-OG 3.25Å
128	T	89.1	Confident	91.1	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.037	21%	0.212	C	C	.	.			trans	-104.8	94.6	179.3	-45.9	0	0	0	0	108.9	D57 S59 S61 R162 S163 Q164	D57-T128 WeakPolarHBondContact OD2-CG2 3.41Å; S59-T128 VanDerWaalsContact CB-OG1 3.32Å; S59-T128 WeakPolarHBondContact CB-OG1 3.41Å; S59-T128 PolarHBondContact OG-OG1 3.26Å; S61-T128 PolarHBondContact OG-OG1 2.74Å; T128-R162 WeakPolarHBondContact CB-O 3.35Å; T128-S163 CarbonylContact O-C 3.55Å; T128-S163 WeakPolarHBondContact O-CA 3.39Å; T128-Q164 PolarHBondContact O-N 2.86Å
129	Q	91.3	Very high	91.1	Very high	39 Å²	39	51.9 Å²	51.9	18%	0.182	25%	0.248	C	C	.	.			trans	-110.9	64.4	-176.9	-63.4	-70	-16.2	0	0	112.2	G96 G131 L132 A133	G96-Q129 VanDerWaalsContact O-CB 3.32Å; G96-Q129 WeakPolarHBondContact O-CB 3.25Å; G96-Q129 PolarHBondContact O-N 3.42Å; G96-Q129 VanDerWaalsContact O-N 3.11Å; Q129-G131 VanDerWaalsContact C-N 3.27Å; Q129-G131 PolarHBondContact O-N 2.73Å; Q129-L132 HydrophobicContact CB-CB 4.03Å; Q129-L132 HydrophobicContact CB-CD1 3.81Å; Q129-L132 HydrophobicContact CB-CG 4Å; Q129-L132 HydrophobicContact CG-CD1 4.05Å; Q129-L132 PolarHBondContact O-N 3.04Å; Q129-L132 VanDerWaalsContact O-N 3.07Å; Q129-A133 PolarHBondContact O-N 3.46Å
130	T	91.7	Very high	91.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.3	-39.5	179.9	-51	0	0	0	0	112.1	F95 L132 A133 L134 L157 S163 V167 L197	F95-T130 HydrophobicContact CZ-CG2 4.43Å; T130-L132 VanDerWaalsContact C-N 3.31Å; T130-L132 PolarHBondContact O-N 3.39Å; T130-A133 WeakPolarHBondContact O-CB 3.3Å; T130-A133 PolarHBondContact O-N 3.28Å; T130-A133 VanDerWaalsContact O-N 3.16Å; T130-L134 WeakPolarHBondContact O-CG 3.28Å; T130-L134 PolarHBondContact O-N 3.37Å; T130-L157 HydrophobicContact CG2-CD1 4.08Å; T130-L157 HydrophobicContact CG2-CD2 3.79Å; T130-S163 PolarHBondContact N-OG 2.85Å; T130-V167 HydrophobicContact CG2-CG1 4.3Å; T130-L197 HydrophobicContact CG2-CD1 4.11Å
131	G	90.3	Very high	90.9	Very high	4 Å²	4	46 Å²	46	4%	0.041	23%	0.232	C	C	.	.	H	α-helix	trans	-62.6	-34.8	177.1	0	0	0	0	0	113.4	Q129 K135	Q129-G131 VanDerWaalsContact C-N 3.27Å; Q129-G131 PolarHBondContact O-N 2.73Å; G131-K135 WeakPolarHBondContact O-CB 3.33Å; G131-K135 VanDerWaalsContact O-CG 3.3Å; G131-K135 WeakPolarHBondContact O-CG 3.3Å; G131-K135 PolarHBondContact O-N 2.8Å
132	L	91.3	Very high	90.7	Very high	76 Å²	76	46.7 Å²	46.7	40%	0.398	24%	0.235	S	C	.	.	H	α-helix	trans	-70.8	-36.7	174.5	-68.3	-177.4	0	0	0	111.7	Q129 T130 K135 Y136	Q129-L132 HydrophobicContact CB-CB 4.03Å; Q129-L132 HydrophobicContact CB-CD1 3.81Å; Q129-L132 HydrophobicContact CB-CG 4Å; Q129-L132 HydrophobicContact CG-CD1 4.05Å; Q129-L132 PolarHBondContact O-N 3.04Å; Q129-L132 VanDerWaalsContact O-N 3.07Å; T130-L132 VanDerWaalsContact C-N 3.31Å; T130-L132 PolarHBondContact O-N 3.39Å; L132-K135 PolarHBondContact O-N 3.2Å; L132-Y136 WeakPolarHBondContact O-CB 3.39Å; L132-Y136 PolarHBondContact O-N 2.77Å
133	A	92.9	Very high	90.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-44.7	174.8	0	0	0	0	0	111.7	F95 P99 Q129 T130 Y136 V137	F95-A133 HydrophobicContact CB-CB 3.76Å; F95-A133 HydrophobicContact CD1-CB 3.85Å; F95-A133 HydrophobicContact CD2-CB 4.01Å; F95-A133 HydrophobicContact CE1-CB 4.47Å; F95-A133 HydrophobicContact CG-CB 3.59Å; P99-A133 HydrophobicContact CB-CB 4.32Å; Q129-A133 PolarHBondContact O-N 3.46Å; T130-A133 WeakPolarHBondContact O-CB 3.3Å; T130-A133 PolarHBondContact O-N 3.28Å; T130-A133 VanDerWaalsContact O-N 3.16Å; A133-Y136 WeakPolarHBondContact O-CB 3.3Å; A133-Y136 PolarHBondContact O-N 2.04Å; A133-V137 PolarHBondContact O-N 2.9Å; A133-V137 VanDerWaalsContact O-N 3.1Å
134	L	94.3	Very high	89.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-42.7	176.1	-63.9	173.9	0	0	0	112.2	L55 T130 Y136 V137 L138 A170 A171 L174 L181 L197	L55-L134 HydrophobicContact CD1-CD2 3.8Å; T130-L134 WeakPolarHBondContact O-CG 3.28Å; T130-L134 PolarHBondContact O-N 3.37Å; L134-Y136 VanDerWaalsContact C-N 3.28Å; L134-Y136 PolarHBondContact O-N 3.47Å; L134-V137 PolarHBondContact O-N 2.99Å; L134-L138 PolarHBondContact O-N 2.79Å; L134-A170 HydrophobicContact CB-CB 3.86Å; L134-A170 HydrophobicContact CD1-CB 4.35Å; L134-A171 HydrophobicContact CD1-CB 3.95Å; L134-L174 HydrophobicContact CD2-CD2 3.74Å; L134-L181 HydrophobicContact CD2-CD2 4.13Å; L134-L197 HydrophobicContact CD1-CD2 3.56Å
135	K	92.8	Very high	89.6	Confident	112 Å²	112	39.6 Å²	39.6	49%	0.487	21%	0.213	S	C	.	.	H	α-helix	trans	-62.4	-35	174	-74.7	175.9	-178.1	-178.7	0	112.6	G131 L132 L138 K139 A170	G131-K135 WeakPolarHBondContact O-CB 3.33Å; G131-K135 VanDerWaalsContact O-CG 3.3Å; G131-K135 WeakPolarHBondContact O-CG 3.3Å; G131-K135 PolarHBondContact O-N 2.8Å; L132-K135 PolarHBondContact O-N 3.2Å; K135-L138 PolarHBondContact O-N 3.21Å; K135-K139 WeakPolarHBondContact O-CB 3.28Å; K135-K139 PolarHBondContact O-N 3.1Å; K135-A170 HydrophobicContact CG-CB 4.09Å
136	Y	93	Very high	89.4	Confident	63 Å²	63	41 Å²	41	25%	0.247	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-45.2	175	-178.7	-85.1	0	0	0	111	I93 P99 L132 A133 L134 K139 K140	I93-Y136 HydrophobicContact CD1-CD1 3.89Å; I93-Y136 HydrophobicContact CD1-CE1 3.85Å; I93-Y136 HydrophobicContact CG1-CE1 4.44Å; P99-Y136 HydrophobicContact CB-CD1 4.47Å; P99-Y136 HydrophobicContact CB-CD2 4.34Å; P99-Y136 HydrophobicContact CB-CG 4.05Å; P99-Y136 HydrophobicContact CG-CD2 3.77Å; P99-Y136 HydrophobicContact CG-CG 3.74Å; L132-Y136 WeakPolarHBondContact O-CB 3.39Å; L132-Y136 PolarHBondContact O-N 2.77Å; A133-Y136 WeakPolarHBondContact O-CB 3.3Å; A133-Y136 PolarHBondContact O-N 2.04Å; L134-Y136 VanDerWaalsContact C-N 3.28Å; L134-Y136 PolarHBondContact O-N 3.47Å; Y136-K139 PolarHBondContact O-N 3.12Å; Y136-K140 HydrophobicContact CD1-CG 4.47Å; Y136-K140 HydrophobicContact CD2-CG 4.37Å; Y136-K140 HydrophobicContact CE1-CB 4.27Å; Y136-K140 HydrophobicContact CE1-CG 4.18Å; Y136-K140 HydrophobicContact CE2-CG 4.09Å; Y136-K140 VanDerWaalsContact O-CB 3.3Å; Y136-K140 WeakPolarHBondContact O-CB 3.48Å; Y136-K140 PolarHBondContact O-N 3.44Å
137	V	93.3	Very high	88.2	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-64.2	-42.2	174.4	-179.7	0	0	0	0	111.5	L53 L55 I93 A133 L134 K139 G141 F142 L174	L53-V137 HydrophobicContact CD2-CG1 4Å; L53-V137 HydrophobicContact CD2-CG2 3.89Å; L55-V137 HydrophobicContact CD1-CG2 4.33Å; L55-V137 HydrophobicContact CD2-CG2 3.61Å; I93-V137 HydrophobicContact CD1-CG2 3.95Å; A133-V137 PolarHBondContact O-N 2.9Å; A133-V137 VanDerWaalsContact O-N 3.1Å; L134-V137 PolarHBondContact O-N 2.99Å; V137-K139 VanDerWaalsContact C-N 3.31Å; V137-K139 PolarHBondContact O-N 2.55Å; V137-G141 CarbonylContact O-C 3.52Å; V137-G141 WeakPolarHBondContact O-CA 3.41Å; V137-G141 PolarHBondContact O-N 3.26Å; V137-F142 HydrophobicContact CG1-CD2 3.9Å; V137-F142 HydrophobicContact CG1-CE2 3.71Å; V137-L174 HydrophobicContact CB-CD1 4.47Å; V137-L174 HydrophobicContact CG1-CD1 3.86Å; V137-L174 HydrophobicContact CG1-CD2 4.48Å
138	L	90.4	Very high	87.1	Confident	53 Å²	53	49.9 Å²	49.9	28%	0.277	26%	0.261	S	S	.	.	H	α-helix	trans	-58.4	-41.7	175.1	-79.9	168.8	0	0	0	112.6	L134 K135 A170 Q173 L174 T177	L134-L138 PolarHBondContact O-N 2.79Å; K135-L138 PolarHBondContact O-N 3.21Å; L138-A170 HydrophobicContact CD1-CB 4.5Å; L138-Q173 HydrophobicContact CD1-CB 3.86Å; L138-Q173 HydrophobicContact CD2-CB 4.23Å; L138-L174 HydrophobicContact CD2-CB 4.09Å; L138-L174 HydrophobicContact CD2-CD1 3.94Å; L138-L174 HydrophobicContact CG-CB 4.25Å; L138-L174 HydrophobicContact CG-CD1 4.14Å; L138-T177 HydrophobicContact CD2-CG2 4.06Å
139	K	90.5	Very high	85.7	Confident	176 Å²	176	55.6 Å²	55.6	77%	0.765	30%	0.301	S	S	*	.	H	α-helix	trans	-79	-39.7	-177.8	-176.2	175.5	-178.8	176.1	0	113.1	K135 Y136 V137	K135-K139 WeakPolarHBondContact O-CB 3.28Å; K135-K139 PolarHBondContact O-N 3.1Å; Y136-K139 PolarHBondContact O-N 3.12Å; V137-K139 VanDerWaalsContact C-N 3.31Å; V137-K139 PolarHBondContact O-N 2.55Å
140	K	88.3	Confident	84.6	Confident	126 Å²	126	58.1 Å²	58.1	55%	0.548	32%	0.323	S	S	.	.	H	α-helix	trans	-97.4	-8.8	-173.8	-65.4	-63.7	-171.2	174.1	0	113.3	Y136	Y136-K140 HydrophobicContact CD1-CG 4.47Å; Y136-K140 HydrophobicContact CD2-CG 4.37Å; Y136-K140 HydrophobicContact CE1-CB 4.27Å; Y136-K140 HydrophobicContact CE1-CG 4.18Å; Y136-K140 HydrophobicContact CE2-CG 4.09Å; Y136-K140 VanDerWaalsContact O-CB 3.3Å; Y136-K140 WeakPolarHBondContact O-CB 3.48Å; Y136-K140 PolarHBondContact O-N 3.44Å
141	G	86.4	Confident	84.1	Confident	31 Å²	31	58.6 Å²	58.6	32%	0.32	33%	0.326	S	S	.	.			trans	65.6	-154.9	-171.8	0	0	0	0	0	111.7	V137 P143	V137-G141 CarbonylContact O-C 3.52Å; V137-G141 WeakPolarHBondContact O-CA 3.41Å; V137-G141 PolarHBondContact O-N 3.26Å; G141-P143 VanDerWaalsContact O-CD 3.28Å; G141-P143 WeakPolarHBondContact O-CD 3.27Å
142	F	90.6	Very high	83.9	Confident	20 Å²	20	60 Å²	60	9%	0.088	34%	0.335	C	S	.	.	S	Bend	trans	-95.2	97.6	172.7	-91.4	-130.4	0	0	0	107.3	D51 L53 L105 V137 G144 G145 R153 V154 A155 V179	D51-F142 HydrophobicContact CB-CD1 4.18Å; L53-F142 HydrophobicContact CB-CD1 3.84Å; L53-F142 HydrophobicContact CB-CE1 3.39Å; L53-F142 HydrophobicContact CB-CE2 4.36Å; L53-F142 HydrophobicContact CB-CG 4.49Å; L53-F142 HydrophobicContact CB-CZ 3.69Å; L53-F142 HydrophobicContact CD2-CD1 4.31Å; L53-F142 HydrophobicContact CD2-CD2 3.89Å; L53-F142 HydrophobicContact CD2-CE1 4.26Å; L53-F142 HydrophobicContact CD2-CE2 3.83Å; L53-F142 HydrophobicContact CD2-CG 4.13Å; L53-F142 HydrophobicContact CD2-CZ 4.02Å; L53-F142 HydrophobicContact CG-CE1 4.48Å; L105-F142 HydrophobicContact CD1-CB 3.48Å; L105-F142 VanDerWaalsContact CD1-CB 3.48Å; L105-F142 HydrophobicContact CD1-CD1 3.66Å; L105-F142 HydrophobicContact CD1-CG 3.98Å; V137-F142 HydrophobicContact CG1-CD2 3.9Å; V137-F142 HydrophobicContact CG1-CE2 3.71Å; F142-G144 PolarHBondContact O-N 2.81Å; F142-G145 WeakPolarHBondContact O-CA 3.14Å; F142-G145 PolarHBondContact O-N 3.42Å; F142-R153 HydrophobicContact CD1-CB 4.37Å; F142-R153 HydrophobicContact CD1-CG 4.27Å; F142-R153 HydrophobicContact CE1-CB 4Å; F142-R153 HydrophobicContact CE1-CG 4.4Å; F142-R153 HydrophobicContact CZ-CB 4.11Å; F142-V154 WeakPolarHBondContact CE1-O 3.49Å; F142-A155 HydrophobicContact CZ-CB 4.16Å; F142-V179 HydrophobicContact CE2-CG1 4.17Å; F142-V179 HydrophobicContact CE2-CG2 3.97Å; F142-V179 HydrophobicContact CZ-CG1 4Å; F142-V179 HydrophobicContact CZ-CG2 4.38Å
143	P	86.2	Confident	83.8	Confident	28 Å²	28	60.1 Å²	60.1	18%	0.182	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	127.2	-172	-20.3	34.9	0	0	0	110.7	L101 S104 L105 G141 G145	L101-P143 HydrophobicContact CD1-CG 4.21Å; L101-P143 HydrophobicContact CD2-CB 4.04Å; L101-P143 HydrophobicContact CD2-CG 4.26Å; S104-P143 VanDerWaalsContact CB-O 3.3Å; S104-P143 WeakPolarHBondContact CB-O 2.86Å; L105-P143 PolarHBondContact N-O 3.01Å; G141-P143 VanDerWaalsContact O-CD 3.28Å; G141-P143 WeakPolarHBondContact O-CD 3.27Å; P143-G145 PolarHBondContact O-N 3.16Å
144	G	83.2	Confident	83.7	Confident	25 Å²	25	60.2 Å²	60.2	26%	0.258	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	3.8	-172.9	0	0	0	0	0	114.5	R89 D106 F142	R89-G144 PolarHBondContact NH1-O 2.81Å; D106-G144 VanDerWaalsContact CG-CA 3.46Å; D106-G144 WeakPolarHBondContact OD1-CA 3.46Å; F142-G144 PolarHBondContact O-N 2.81Å
145	G	82.9	Confident	83.7	Confident	15 Å²	15	60.2 Å²	60.2	16%	0.155	33%	0.33	C	S	.	.			trans	-70.8	160.5	176.3	0	0	0	0	0	112.3	D51 F142 P143	D51-G145 VanDerWaalsContact OD2-CA 3.24Å; D51-G145 WeakPolarHBondContact OD2-CA 3.39Å; F142-G145 WeakPolarHBondContact O-CA 3.14Å; F142-G145 PolarHBondContact O-N 3.42Å; P143-G145 PolarHBondContact O-N 3.16Å
146	R	82.8	Confident	83.8	Confident	40 Å²	40	54.9 Å²	54.9	15%	0.151	31%	0.307	C	S	.	.			trans	-78.5	126	178.5	-72.8	168.3	-78.9	-158.8	0.7	109.3	L50 D51 D86 K87 S148 V151	L50-R146 PolarHBondContact O-NH2 3.24Å; D51-R146 IonicContact OD1-CZ 2.74Å; D51-R146 IonicContact OD1-NE 2.74Å; D51-R146 PolarHBondContact OD1-NE 2.88Å; D51-R146 IonicContact OD1-NH2 2.74Å; D51-R146 PolarHBondContact OD1-NH2 3.42Å; D51-R146 PolarHBondContact OD2-N 3.07Å; D86-R146 PolarHBondContact O-NH1 3.31Å; K87-R146 VanDerWaalsContact O-CZ 3.24Å; K87-R146 PolarHBondContact O-NH1 3.01Å; K87-R146 PolarHBondContact O-NH2 3Å; R146-S148 PolarHBondContact O-N 3.3Å; R146-S148 VanDerWaalsContact O-N 3.16Å; R146-V151 HydrophobicContact CB-CB 4.38Å; R146-V151 HydrophobicContact CB-CG1 4.45Å; R146-V151 HydrophobicContact CB-CG2 4.01Å
147	N	63.1	Low	83.9	Confident	173 Å²	173	52 Å²	52	93%	0.925	30%	0.296	S	S	*	.			trans	-76.9	7.3	-176.2	-73.5	-18.4	0	0	0	114.5
148	S	63.9	Low	83.9	Confident	58 Å²	58	51.9 Å²	51.9	41%	0.406	30%	0.295	S	S	.	.			trans	-84.3	130	176	-175.8	0	0	0	0	110.2	R146 S150 V151	R146-S148 PolarHBondContact O-N 3.3Å; R146-S148 VanDerWaalsContact O-N 3.16Å; S148-S150 PolarHBondContact O-N 2.89Å; S148-S150 PolarHBondContact OG-N 2.86Å; S148-S150 PolarHBondContact OG-OG 3.17Å; S148-V151 PolarHBondContact O-N 2.94Å
149	S	61.8	Low	83.9	Confident	126 Å²	126	49.3 Å²	49.3	88%	0.881	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-9.7	172.9	55.2	0	0	0	0	113.7
150	S	68.1	Low	83.5	Confident	92 Å²	92	41.5 Å²	41.5	64%	0.643	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-10.5	178.3	71	0	0	0	0	114.4	S148	S148-S150 PolarHBondContact O-N 2.89Å; S148-S150 PolarHBondContact OG-N 2.86Å; S148-S150 PolarHBondContact OG-OG 3.17Å
151	V	80.6	Confident	82.5	Confident	11 Å²	11	35.5 Å²	35.5	7%	0.067	22%	0.222	C	C	.	.	S	Bend	trans	-94.5	117.9	-179.2	176.5	0	0	0	0	109.6	V49 D51 R146 S148 R153	V49-V151 HydrophobicContact CB-CG2 4.47Å; V49-V151 HydrophobicContact CG1-CB 4.42Å; V49-V151 HydrophobicContact CG1-CG1 4.18Å; V49-V151 HydrophobicContact CG1-CG2 3.45Å; V49-V151 VanDerWaalsContact CG1-CG2 3.45Å; V49-V151 WeakPolarHBondContact O-CG1 3.41Å; D51-V151 HydrophobicContact CB-CG1 4.42Å; R146-V151 HydrophobicContact CB-CB 4.38Å; R146-V151 HydrophobicContact CB-CG1 4.45Å; R146-V151 HydrophobicContact CB-CG2 4.01Å; S148-V151 PolarHBondContact O-N 2.94Å; V151-R153 PolarHBondContact O-N 3.1Å
152	P	85.2	Confident	82.1	Confident	34 Å²	34	40.8 Å²	40.8	22%	0.221	23%	0.233	C	C	.	.			trans	-60.7	137.6	175.9	-20.5	32.4	0	0	0	110.9	V49 L50 D51 F228	V49-P152 WeakPolarHBondContact O-CD 3.21Å; L50-P152 HydrophobicContact CD1-CB 3.79Å; L50-P152 WeakPolarHBondContact CD1-O 3.38Å; D51-P152 PolarHBondContact N-O 3.39Å; D51-P152 VanDerWaalsContact N-O 3.11Å; P152-F228 HydrophobicContact CB-CD1 3.89Å; P152-F228 HydrophobicContact CB-CE1 3.94Å; P152-F228 HydrophobicContact CB-CG 4.36Å; P152-F228 HydrophobicContact CB-CZ 4.42Å; P152-F228 HydrophobicContact CG-CD1 3.6Å; P152-F228 HydrophobicContact CG-CE1 3.9Å; P152-F228 HydrophobicContact CG-CG 4.34Å
153	R	90.3	Very high	81.8	Confident	78 Å²	78	40.8 Å²	40.8	29%	0.294	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120	179.4	-73.3	173.3	-71.5	154.6	5.3	109.4	D51 F142 V151 T177 V179 V180	D51-R153 HydrophobicContact CB-CG 4.4Å; F142-R153 HydrophobicContact CD1-CB 4.37Å; F142-R153 HydrophobicContact CD1-CG 4.27Å; F142-R153 HydrophobicContact CE1-CB 4Å; F142-R153 HydrophobicContact CE1-CG 4.4Å; F142-R153 HydrophobicContact CZ-CB 4.11Å; V151-R153 PolarHBondContact O-N 3.1Å; R153-T177 PolarHBondContact NH2-O 2.87Å; R153-V179 HydrophobicContact CB-CG2 4.05Å; R153-V179 WeakPolarHBondContact O-CA 3.42Å; R153-V180 PolarHBondContact O-N 2.84Å
154	V	91.2	Very high	81.5	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.2	-176.6	173.4	0	0	0	0	109.3	L50 D51 V52 L53 F142 I156 V180 F182 L223	L50-V154 HydrophobicContact CD1-CG2 3.81Å; D51-V154 PolarHBondContact O-N 3.36Å; V52-V154 CarbonylContact C-O 3.55Å; V52-V154 WeakPolarHBondContact CA-O 3.3Å; V52-V154 HydrophobicContact CG2-CB 4.47Å; L53-V154 PolarHBondContact N-O 2.97Å; F142-V154 WeakPolarHBondContact CE1-O 3.49Å; V154-I156 HydrophobicContact CG1-CD1 4.43Å; V154-I156 HydrophobicContact CG1-CG1 3.97Å; V154-V180 WeakPolarHBondContact CA-O 3.49Å; V154-V180 HydrophobicContact CG2-CB 4.34Å; V154-F182 HydrophobicContact CG1-CD2 3.59Å; V154-F182 HydrophobicContact CG1-CE2 3.64Å; V154-L223 HydrophobicContact CG2-CD2 4Å
155	A	94.3	Very high	81.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.3	172.4	0	0	0	0	0	109.5	L53 F142 V179 V180 L181 F182	L53-A155 CarbonylContact O-C 3.39Å; L53-A155 WeakPolarHBondContact O-CA 3.24Å; F142-A155 HydrophobicContact CZ-CB 4.16Å; A155-V179 HydrophobicContact CB-CG1 3.73Å; A155-V180 PolarHBondContact N-O 2.92Å; A155-L181 HydrophobicContact CB-CD1 3.71Å; A155-L181 WeakPolarHBondContact O-CA 3.44Å; A155-F182 PolarHBondContact O-N 3.05Å
156	I	94.4	Very high	81	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	106.9	178.8	-53.7	-179.7	0	0	0	108.7	V52 L53 F54 L55 Y73 L77 V154 F182 V184 V219	V52-I156 HydrophobicContact CG1-CD1 3.8Å; V52-I156 HydrophobicContact CG1-CG1 4.27Å; L53-I156 PolarHBondContact O-N 3.42Å; F54-I156 WeakPolarHBondContact CA-O 3.33Å; F54-I156 HydrophobicContact CD1-CB 3.91Å; F54-I156 HydrophobicContact CD1-CG2 4.14Å; F54-I156 HydrophobicContact CE1-CB 4.08Å; F54-I156 HydrophobicContact CE1-CD1 3.91Å; F54-I156 HydrophobicContact CE1-CG2 4.1Å; F54-I156 HydrophobicContact CZ-CD1 4.29Å; L55-I156 PolarHBondContact N-O 3.36Å; Y73-I156 HydrophobicContact CE1-CG2 4.31Å; L77-I156 HydrophobicContact CD2-CD1 3.4Å; L77-I156 VanDerWaalsContact CD2-CD1 3.4Å; V154-I156 HydrophobicContact CG1-CD1 4.43Å; V154-I156 HydrophobicContact CG1-CG1 3.97Å; I156-F182 HydrophobicContact CG1-CB 4.27Å; I156-F182 HydrophobicContact CG2-CB 4.42Å; I156-V184 HydrophobicContact CG2-CG2 3.76Å; I156-V219 HydrophobicContact CD1-CG1 4.26Å
157	L	94.8	Very high	81.2	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122.3	177.6	177	67.7	0	0	0	110.5	L55 F95 T130 L181 F182 V184 L194 L197	L55-L157 HydrophobicContact CB-CD1 3.82Å; L55-L157 CarbonylContact O-C 3.56Å; L55-L157 WeakPolarHBondContact O-CA 3.08Å; F95-L157 HydrophobicContact CE1-CD1 3.59Å; F95-L157 HydrophobicContact CZ-CD1 3.68Å; T130-L157 HydrophobicContact CG2-CD1 4.08Å; T130-L157 HydrophobicContact CG2-CD2 3.79Å; L157-L181 HydrophobicContact CB-CD1 4.36Å; L157-F182 WeakPolarHBondContact CB-O 3.49Å; L157-F182 PolarHBondContact N-O 3.4Å; L157-V184 PolarHBondContact O-N 3.06Å; L157-L194 HydrophobicContact CD2-CD2 4.39Å; L157-L197 HydrophobicContact CD2-CD1 3.63Å
158	L	93.2	Very high	82.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	103.4	175.1	-69.5	160.1	0	0	0	108.8	F54 L55 M56 D57 A70 Y73 V184 L186	F54-L158 HydrophobicContact CD1-CD1 3.97Å; L55-L158 PolarHBondContact O-N 3.09Å; M56-L158 HydrophobicContact CE-CD1 3.79Å; M56-L158 HydrophobicContact CG-CD1 4.42Å; D57-L158 WeakPolarHBondContact CB-O 3.4Å; D57-L158 PolarHBondContact N-O 2.76Å; A70-L158 HydrophobicContact CB-CB 4.42Å; A70-L158 HydrophobicContact CB-CD1 4.41Å; Y73-L158 HydrophobicContact CD1-CD1 4.01Å; Y73-L158 HydrophobicContact CD1-CD2 3.36Å; Y73-L158 HydrophobicContact CD1-CG 4.25Å; Y73-L158 HydrophobicContact CE1-CD2 3.68Å; Y73-L158 HydrophobicContact CG-CD2 4.13Å; L158-V184 WeakPolarHBondContact CA-O 3.41Å; L158-V184 HydrophobicContact CD2-CB 3.51Å; L158-V184 HydrophobicContact CD2-CG1 3.55Å; L158-V184 HydrophobicContact CD2-CG2 4.17Å; L158-V184 HydrophobicContact CG-CB 4.4Å; L158-L186 HydrophobicContact CB-CD1 4.29Å; L158-L186 HydrophobicContact CD2-CD2 4.28Å
159	S	90.8	Very high	83.5	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	162.3	-174.2	-178.7	0	0	0	0	112.9	D57 G161 V184 G185 L186	D57-S159 WeakPolarHBondContact OD2-CB 3.39Å; D57-S159 PolarHBondContact OD2-OG 2.8Å; S159-G161 VanDerWaalsContact C-N 3.35Å; S159-G161 PolarHBondContact OG-N 3.41Å; S159-V184 PolarHBondContact N-O 3.33Å; S159-V184 VanDerWaalsContact N-O 3.08Å; S159-G185 CarbonylContact O-C 3.59Å; S159-G185 VanDerWaalsContact O-CA 3.29Å; S159-G185 WeakPolarHBondContact O-CA 3.32Å; S159-L186 PolarHBondContact O-N 2.81Å
160	D	81.7	Confident	84.9	Confident	11 Å²	11	41.4 Å²	41.4	6%	0.059	23%	0.225	C	C	.	.			trans	-92.1	10.6	170	73.4	-26.1	0	0	0	113.1	S61 I62 R162 P189 K190	S61-D160 VanDerWaalsContact CB-OD2 3.31Å; S61-D160 WeakPolarHBondContact CB-OD2 3.1Å; S61-D160 PolarHBondContact OG-OD1 3.43Å; S61-D160 PolarHBondContact OG-OD2 2.88Å; I62-D160 HydrophobicContact CD1-CB 3.53Å; I62-D160 VanDerWaalsContact CD1-CG 3.46Å; I62-D160 WeakPolarHBondContact CD1-OD1 3.44Å; D160-R162 IonicContact OD2-NE 3.81Å; D160-P189 CarbonylContact O-C 3.5Å; D160-P189 WeakPolarHBondContact O-CA 3.42Å; D160-K190 PolarHBondContact O-N 3.29Å
161	G	66.5	Low	86	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	68.2	37	168.3	0	0	0	0	0	114.5	S159 K190	S159-G161 VanDerWaalsContact C-N 3.35Å; S159-G161 PolarHBondContact OG-N 3.41Å; G161-K190 WeakPolarHBondContact O-CB 3.33Å; G161-K190 WeakPolarHBondContact O-CD 3.48Å
162	R	78.1	Confident	86.5	Confident	143 Å²	143	38.2 Å²	38.2	54%	0.54	21%	0.205	S	C	.	.			trans	-120.1	46.8	-179.2	-63.9	179.6	-179.9	-161.2	0.4	112.1	T128 D160 Q164	T128-R162 WeakPolarHBondContact CB-O 3.35Å; D160-R162 IonicContact OD2-NE 3.81Å; R162-Q164 PolarHBondContact O-N 3.37Å
163	S	85.4	Confident	86.8	Confident	20 Å²	20	40.6 Å²	40.6	14%	0.14	21%	0.214	C	C	.	.			trans	-60.9	133.1	-179.6	-178.7	0	0	0	0	111.1	T128 T130 G165 V167 E193	T128-S163 CarbonylContact O-C 3.55Å; T128-S163 WeakPolarHBondContact O-CA 3.39Å; T130-S163 PolarHBondContact N-OG 2.85Å; S163-G165 VanDerWaalsContact C-N 3.28Å; S163-G165 PolarHBondContact OG-N 3.32Å; S163-G165 PolarHBondContact OG-O 2.94Å; S163-V167 WeakPolarHBondContact OG-CG1 3.4Å; S163-E193 WeakPolarHBondContact CB-OE1 3.46Å; S163-E193 PolarHBondContact N-OE1 2.85Å; S163-E193 PolarHBondContact N-OE2 2.77Å; S163-E193 VanDerWaalsContact N-OE2 3.08Å
164	Q	80.4	Confident	86.9	Confident	135 Å²	135	37 Å²	37	63%	0.631	20%	0.2	S	C	*	.	S	Bend	trans	-83	-7.5	176	-64.4	178	-6	0	0	112.6	T128 R162	T128-Q164 PolarHBondContact O-N 2.86Å; R162-Q164 PolarHBondContact O-N 3.37Å
165	G	75.1	Confident	86.9	Confident	29 Å²	29	40 Å²	40	30%	0.299	21%	0.213	S	C	.	.	S	Bend	trans	-123.3	165.6	178	0	0	0	0	0	112.8	S163 V167	S163-G165 VanDerWaalsContact C-N 3.28Å; S163-G165 PolarHBondContact OG-N 3.32Å; S163-G165 PolarHBondContact OG-O 2.94Å; G165-V167 WeakPolarHBondContact O-CG1 3.33Å; G165-V167 PolarHBondContact O-N 3.4Å
166	S	80.1	Confident	86.7	Confident	88 Å²	88	47.8 Å²	47.8	62%	0.615	25%	0.249	S	C	*	.			trans	-63.4	125.5	178.4	178.9	0	0	0	0	111.9
167	V	86.6	Confident	86.3	Confident	10 Å²	10	50.8 Å²	50.8	6%	0.061	27%	0.268	C	S	.	.			trans	-109.7	-31.4	-174.9	-59.5	0	0	0	0	113.8	T130 S163 G165 Q169 A170 A171 E193 L197	T130-V167 HydrophobicContact CG2-CG1 4.3Å; S163-V167 WeakPolarHBondContact OG-CG1 3.4Å; G165-V167 WeakPolarHBondContact O-CG1 3.33Å; G165-V167 PolarHBondContact O-N 3.4Å; V167-Q169 PolarHBondContact O-N 2.91Å; V167-A170 PolarHBondContact O-N 3.31Å; V167-A171 WeakPolarHBondContact O-CB 3.35Å; V167-A171 PolarHBondContact O-N 3.48Å; V167-E193 HydrophobicContact CG2-CG 3.92Å; V167-L197 HydrophobicContact CB-CD2 3.62Å; V167-L197 HydrophobicContact CB-CG 4.35Å; V167-L197 HydrophobicContact CG2-CD1 4.35Å; V167-L197 HydrophobicContact CG2-CD2 3.81Å; V167-L197 HydrophobicContact CG2-CG 4.06Å
168	V	87.4	Confident	85.9	Confident	83 Å²	83	53.1 Å²	53.1	50%	0.503	29%	0.292	S	S	.	.	H	α-helix	trans	-61.6	-47.3	-169.2	-179.6	0	0	0	0	111.9	A170 A171 A172	V168-A170 PolarHBondContact O-N 3.17Å; V168-A171 PolarHBondContact O-N 2.91Å; V168-A172 WeakPolarHBondContact O-CB 3.48Å; V168-A172 PolarHBondContact O-N 2.88Å
169	Q	88.6	Confident	85.7	Confident	129 Å²	129	53.3 Å²	53.3	60%	0.603	29%	0.293	S	S	*	.	H	α-helix	trans	-65.6	-42.1	-178.2	-171.2	-178.6	13.7	0	0	112.1	V167 A172 Q173	V167-Q169 PolarHBondContact O-N 2.91Å; Q169-A172 PolarHBondContact O-N 2.94Å; Q169-Q173 WeakPolarHBondContact O-CB 3.42Å; Q169-Q173 WeakPolarHBondContact O-CG 3.34Å; Q169-Q173 PolarHBondContact O-N 3.33Å
170	A	90.1	Very high	85.7	Confident	3 Å²	3	54.6 Å²	54.6	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-67.5	-38.5	179	0	0	0	0	0	111.4	L134 K135 L138 V167 V168 L174	L134-A170 HydrophobicContact CB-CB 3.86Å; L134-A170 HydrophobicContact CD1-CB 4.35Å; K135-A170 HydrophobicContact CG-CB 4.09Å; L138-A170 HydrophobicContact CD1-CB 4.5Å; V167-A170 PolarHBondContact O-N 3.31Å; V168-A170 PolarHBondContact O-N 3.17Å; A170-L174 WeakPolarHBondContact O-CB 3.4Å; A170-L174 PolarHBondContact O-N 2.79Å
171	A	91.5	Very high	86.2	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66.3	-43.8	175	0	0	0	0	0	112.1	L134 V167 V168 Q173 L174 K175 L181 L197	L134-A171 HydrophobicContact CD1-CB 3.95Å; V167-A171 WeakPolarHBondContact O-CB 3.35Å; V167-A171 PolarHBondContact O-N 3.48Å; V168-A171 PolarHBondContact O-N 2.91Å; A171-Q173 PolarHBondContact O-N 2.95Å; A171-L174 PolarHBondContact O-N 3.42Å; A171-K175 WeakPolarHBondContact O-CG 3.44Å; A171-K175 PolarHBondContact O-N 3.15Å; A171-L181 HydrophobicContact CB-CD2 4.22Å; A171-L197 HydrophobicContact CB-CD2 3.49Å; A171-L197 VanDerWaalsContact CB-CD2 3.49Å
172	A	90.7	Very high	87.4	Confident	37 Å²	37	54.1 Å²	54.1	31%	0.306	30%	0.298	S	S	.	.	H	α-helix	trans	-60	-45.9	176.1	0	0	0	0	0	111.7	V168 Q169 L174 K175 Q176	V168-A172 WeakPolarHBondContact O-CB 3.48Å; V168-A172 PolarHBondContact O-N 2.88Å; Q169-A172 PolarHBondContact O-N 2.94Å; A172-L174 PolarHBondContact O-N 3.41Å; A172-K175 PolarHBondContact O-N 3.41Å; A172-Q176 VanDerWaalsContact O-CG 3.3Å; A172-Q176 WeakPolarHBondContact O-CG 3.49Å; A172-Q176 PolarHBondContact O-N 2.96Å
173	Q	91.9	Very high	87.9	Confident	84 Å²	84	47.3 Å²	47.3	39%	0.393	27%	0.273	S	S	.	.	H	α-helix	trans	-61.1	-43	174.9	-75	176.6	-17.7	0	0	111.8	L138 Q169 A171 Q176 T177	L138-Q173 HydrophobicContact CD1-CB 3.86Å; L138-Q173 HydrophobicContact CD2-CB 4.23Å; Q169-Q173 WeakPolarHBondContact O-CB 3.42Å; Q169-Q173 WeakPolarHBondContact O-CG 3.34Å; Q169-Q173 PolarHBondContact O-N 3.33Å; A171-Q173 PolarHBondContact O-N 2.95Å; Q173-Q176 WeakPolarHBondContact O-CB 3.24Å; Q173-Q176 PolarHBondContact O-N 2.89Å; Q173-T177 WeakPolarHBondContact O-CG2 3.34Å; Q173-T177 PolarHBondContact O-N 3.24Å
174	L	91.3	Very high	88.1	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-44.1	179.1	-173.4	63.4	0	0	0	111.4	L134 V137 L138 A170 A171 A172 Q176 T177 V179	L134-L174 HydrophobicContact CD2-CD2 3.74Å; V137-L174 HydrophobicContact CB-CD1 4.47Å; V137-L174 HydrophobicContact CG1-CD1 3.86Å; V137-L174 HydrophobicContact CG1-CD2 4.48Å; L138-L174 HydrophobicContact CD2-CB 4.09Å; L138-L174 HydrophobicContact CD2-CD1 3.94Å; L138-L174 HydrophobicContact CG-CB 4.25Å; L138-L174 HydrophobicContact CG-CD1 4.14Å; A170-L174 WeakPolarHBondContact O-CB 3.4Å; A170-L174 PolarHBondContact O-N 2.79Å; A171-L174 PolarHBondContact O-N 3.42Å; A172-L174 PolarHBondContact O-N 3.41Å; L174-Q176 VanDerWaalsContact C-N 3.32Å; L174-Q176 PolarHBondContact O-N 2.85Å; L174-T177 PolarHBondContact O-N 3.48Å; L174-T177 VanDerWaalsContact O-N 3.08Å; L174-T177 PolarHBondContact O-OG1 2.99Å; L174-V179 HydrophobicContact CD1-CB 4.24Å; L174-V179 HydrophobicContact CD1-CG1 4.47Å; L174-V179 HydrophobicContact CD1-CG2 4.02Å; L174-V179 HydrophobicContact CD2-CG1 4.42Å; L174-V179 HydrophobicContact CG-CB 4.09Å; L174-V179 HydrophobicContact CG-CG1 4.17Å; L174-V179 HydrophobicContact CG-CG2 4.43Å
175	K	91.9	Very high	88.3	Confident	64 Å²	64	39.9 Å²	39.9	28%	0.278	24%	0.236	S	C	.	.	H	α-helix	trans	-59.6	-40.7	174.8	-71.6	-175	-70.4	-172.2	0	112.1	A171 A172 T177 G178 L181 A198	A171-K175 WeakPolarHBondContact O-CG 3.44Å; A171-K175 PolarHBondContact O-N 3.15Å; A172-K175 PolarHBondContact O-N 3.41Å; K175-T177 PolarHBondContact O-N 3.26Å; K175-G178 PolarHBondContact O-N 3.49Å; K175-L181 HydrophobicContact CG-CB 4.38Å; K175-A198 PolarHBondContact NZ-O 3.32Å
176	Q	89.4	Confident	88.6	Confident	162 Å²	162	38.7 Å²	38.7	76%	0.757	22%	0.222	S	C	*	.	H	α-helix	trans	-62.6	-24.1	176	-74.1	170.9	-2.4	0	0	113.5	A172 Q173 L174 G178	A172-Q176 VanDerWaalsContact O-CG 3.3Å; A172-Q176 WeakPolarHBondContact O-CG 3.49Å; A172-Q176 PolarHBondContact O-N 2.96Å; Q173-Q176 WeakPolarHBondContact O-CB 3.24Å; Q173-Q176 PolarHBondContact O-N 2.89Å; L174-Q176 VanDerWaalsContact C-N 3.32Å; L174-Q176 PolarHBondContact O-N 2.85Å; Q176-G178 PolarHBondContact O-N 3Å
177	T	87.4	Confident	88.4	Confident	64 Å²	64	40.4 Å²	40.4	39%	0.393	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	2.5	173.4	70.2	0	0	0	0	113.9	L138 R153 Q173 L174 K175	L138-T177 HydrophobicContact CD2-CG2 4.06Å; R153-T177 PolarHBondContact NH2-O 2.87Å; Q173-T177 WeakPolarHBondContact O-CG2 3.34Å; Q173-T177 PolarHBondContact O-N 3.24Å; L174-T177 PolarHBondContact O-N 3.48Å; L174-T177 VanDerWaalsContact O-N 3.08Å; L174-T177 PolarHBondContact O-OG1 2.99Å; K175-T177 PolarHBondContact O-N 3.26Å
178	G	85.1	Confident	87.5	Confident	50 Å²	50	46.2 Å²	46.2	52%	0.515	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	19.5	-178.3	0	0	0	0	0	113.9	K175 Q176	K175-G178 PolarHBondContact O-N 3.49Å; Q176-G178 PolarHBondContact O-N 3Å
179	V	90.1	Very high	87	Confident	5 Å²	5	42.9 Å²	42.9	3%	0.03	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	126	174.2	175.1	0	0	0	0	109.4	F142 R153 A155 L174 L181	F142-V179 HydrophobicContact CE2-CG1 4.17Å; F142-V179 HydrophobicContact CE2-CG2 3.97Å; F142-V179 HydrophobicContact CZ-CG1 4Å; F142-V179 HydrophobicContact CZ-CG2 4.38Å; R153-V179 HydrophobicContact CB-CG2 4.05Å; R153-V179 WeakPolarHBondContact O-CA 3.42Å; A155-V179 HydrophobicContact CB-CG1 3.73Å; L174-V179 HydrophobicContact CD1-CB 4.24Å; L174-V179 HydrophobicContact CD1-CG1 4.47Å; L174-V179 HydrophobicContact CD1-CG2 4.02Å; L174-V179 HydrophobicContact CD2-CG1 4.42Å; L174-V179 HydrophobicContact CG-CB 4.09Å; L174-V179 HydrophobicContact CG-CG1 4.17Å; L174-V179 HydrophobicContact CG-CG2 4.43Å; V179-L181 PolarHBondContact O-N 3.38Å
180	V	90.9	Very high	86.6	Confident	26 Å²	26	41.8 Å²	41.8	16%	0.158	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	110.8	171.2	-175	0	0	0	0	108.3	R153 V154 A155 F182 H205 F228	R153-V180 PolarHBondContact O-N 2.84Å; V154-V180 WeakPolarHBondContact CA-O 3.49Å; V154-V180 HydrophobicContact CG2-CB 4.34Å; A155-V180 PolarHBondContact N-O 2.92Å; V180-F182 HydrophobicContact CB-CE2 4.37Å; V180-F182 HydrophobicContact CG1-CD2 4.14Å; V180-F182 HydrophobicContact CG1-CE2 3.55Å; V180-F182 HydrophobicContact CG1-CZ 4.14Å; V180-H205 WeakPolarHBondContact CG1-NE2 3.3Å; V180-F228 HydrophobicContact CG2-CE2 4.27Å; V180-F228 HydrophobicContact CG2-CZ 4.36Å
181	L	92.5	Very high	85.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	118.1	-179.2	-177.7	57.1	0	0	0	111.1	L134 A155 L157 A171 K175 V179 L197 A198 S199	L134-L181 HydrophobicContact CD2-CD2 4.13Å; A155-L181 HydrophobicContact CB-CD1 3.71Å; A155-L181 WeakPolarHBondContact O-CA 3.44Å; L157-L181 HydrophobicContact CB-CD1 4.36Å; A171-L181 HydrophobicContact CB-CD2 4.22Å; K175-L181 HydrophobicContact CG-CB 4.38Å; V179-L181 PolarHBondContact O-N 3.38Å; L181-L197 VanDerWaalsContact CD2-O 3.27Å; L181-L197 WeakPolarHBondContact CD2-O 3.48Å; L181-A198 CarbonylContact O-C 3.58Å; L181-A198 WeakPolarHBondContact O-CA 3.45Å; L181-S199 PolarHBondContact N-OG 3.33Å; L181-S199 PolarHBondContact O-N 2.79Å; L181-S199 PolarHBondContact O-OG 3.01Å
182	F	90.6	Very high	84.9	Confident	1 Å²	1	50.7 Å²	50.7	0%	0.004	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	142.5	170.5	-69.9	-94.2	0	0	0	110.3	V154 A155 I156 L157 V180 H205 F207 V219 T222 L223	V154-F182 HydrophobicContact CG1-CD2 3.59Å; V154-F182 HydrophobicContact CG1-CE2 3.64Å; A155-F182 PolarHBondContact O-N 3.05Å; I156-F182 HydrophobicContact CG1-CB 4.27Å; I156-F182 HydrophobicContact CG2-CB 4.42Å; L157-F182 WeakPolarHBondContact CB-O 3.49Å; L157-F182 PolarHBondContact N-O 3.4Å; V180-F182 HydrophobicContact CB-CE2 4.37Å; V180-F182 HydrophobicContact CG1-CD2 4.14Å; V180-F182 HydrophobicContact CG1-CE2 3.55Å; V180-F182 HydrophobicContact CG1-CZ 4.14Å; F182-H205 CarbonylContact C-O 3.5Å; F182-H205 WeakPolarHBondContact CA-O 3.46Å; F182-H205 HydrophobicContact CD1-CB 4.18Å; F182-H205 AromaticContact CD1-CD2 3.81Å; F182-H205 HydrophobicContact CE1-CB 4.47Å; F182-H205 AromaticContact CE1-CD2 3.45Å; F182-H205 VanDerWaalsContact CE1-CD2 3.45Å; F182-H205 WeakPolarHBondContact CE1-CD2 3Å; F182-H205 AromaticContact CE2-CD2 3.98Å; F182-H205 AromaticContact CZ-CD2 3.54Å; F182-F207 HydrophobicContact CD1-CD2 4.32Å; F182-F207 AromaticContact CD1-CE2 3.72Å; F182-F207 HydrophobicContact CD1-CE2 3.72Å; F182-F207 HydrophobicContact CE1-CE2 4.03Å; F182-V219 HydrophobicContact CD1-CG2 4.07Å; F182-V219 HydrophobicContact CE1-CG2 4.42Å; F182-T222 HydrophobicContact CE1-CG2 3.84Å; F182-T222 HydrophobicContact CZ-CG2 3.84Å; F182-L223 HydrophobicContact CE2-CD2 4.33Å; F182-L223 HydrophobicContact CZ-CD2 4.34Å
183	A	90	Very high	84.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.5	175.7	0	0	0	0	0	110.8	L194 A198 H205 V206 F207	A183-L194 HydrophobicContact CB-CB 3.96Å; A183-L194 HydrophobicContact CB-CD2 4.3Å; A183-A198 HydrophobicContact CB-CB 4.09Å; A183-H205 PolarHBondContact N-O 3.31Å; A183-V206 HydrophobicContact CB-CG1 4.18Å; A183-V206 HydrophobicContact CB-CG2 4.37Å; A183-V206 CarbonylContact O-C 3.44Å; A183-V206 WeakPolarHBondContact O-CA 3.48Å; A183-V206 VanDerWaalsContact O-CG1 3.31Å; A183-V206 WeakPolarHBondContact O-CG1 3.49Å; A183-F207 PolarHBondContact O-N 3.33Å
184	V	87.9	Confident	84.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	108.4	-178.3	-175.1	0	0	0	0	108.2	Y73 I156 L157 L158 S159 F207 A209 A215	Y73-V184 HydrophobicContact CE1-CG1 4.31Å; Y73-V184 HydrophobicContact CE1-CG2 4.11Å; Y73-V184 HydrophobicContact CE2-CG1 4.41Å; I156-V184 HydrophobicContact CG2-CG2 3.76Å; L157-V184 PolarHBondContact O-N 3.06Å; L158-V184 WeakPolarHBondContact CA-O 3.41Å; L158-V184 HydrophobicContact CD2-CB 3.51Å; L158-V184 HydrophobicContact CD2-CG1 3.55Å; L158-V184 HydrophobicContact CD2-CG2 4.17Å; L158-V184 HydrophobicContact CG-CB 4.4Å; S159-V184 PolarHBondContact N-O 3.33Å; S159-V184 VanDerWaalsContact N-O 3.08Å; V184-F207 CarbonylContact C-O 3.54Å; V184-F207 WeakPolarHBondContact CA-O 3.4Å; V184-F207 HydrophobicContact CG1-CB 4.37Å; V184-F207 HydrophobicContact CG2-CB 4.27Å; V184-A209 HydrophobicContact CG1-CB 3.91Å; V184-A215 HydrophobicContact CG1-CB 4.44Å
185	G	84.6	Confident	83.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	132.8	179.8	0	0	0	0	0	112.7	S159 L194 F207 A209	S159-G185 CarbonylContact O-C 3.59Å; S159-G185 VanDerWaalsContact O-CA 3.29Å; S159-G185 WeakPolarHBondContact O-CA 3.32Å; G185-L194 VanDerWaalsContact CA-CD1 3.43Å; G185-F207 PolarHBondContact N-O 3.49Å; G185-A209 WeakPolarHBondContact O-CB 3.33Å; G185-A209 PolarHBondContact O-N 3.47Å
186	L	82.4	Confident	83.1	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.016	22%	0.224	C	C	.	.			trans	-104.4	122.1	178.2	-61.6	178.7	0	0	0	110.9	I62 T66 A70 L158 S159 Y188 A209	I62-L186 HydrophobicContact CD1-CB 4.26Å; I62-L186 HydrophobicContact CD1-CD1 3.92Å; I62-L186 HydrophobicContact CG2-CD1 4.25Å; T66-L186 HydrophobicContact CG2-CB 3.74Å; T66-L186 HydrophobicContact CG2-CD1 4.46Å; A70-L186 HydrophobicContact CB-CD1 3.84Å; A70-L186 HydrophobicContact CB-CD2 4.04Å; L158-L186 HydrophobicContact CB-CD1 4.29Å; L158-L186 HydrophobicContact CD2-CD2 4.28Å; S159-L186 PolarHBondContact O-N 2.81Å; L186-Y188 PolarHBondContact O-N 2.86Å; L186-A209 HydrophobicContact CD2-CB 3.62Å
187	R	74.6	Confident	83.1	Confident	125 Å²	125	37.5 Å²	37.5	47%	0.472	19%	0.188	S	C	.	.	S	Bend	trans	58.2	-87.7	175.7	-166.9	-173.5	-176.1	179.1	-0	114.6	T66 P189	T66-R187 HydrophobicContact CG2-CB 4.1Å; R187-P189 VanDerWaalsContact O-CD 3.29Å; R187-P189 WeakPolarHBondContact O-CD 3.46Å
188	Y	69.6	Low	83.2	Confident	132 Å²	132	34.5 Å²	34.5	52%	0.518	17%	0.169	S	C	.	.	S	Bend	trans	-121	65.6	179.6	-57.3	-58.5	0	0	0	111.3	L186	L186-Y188 PolarHBondContact O-N 2.86Å
189	P	76.1	Confident	83.4	Confident	12 Å²	12	32.7 Å²	32.7	8%	0.078	15%	0.149	C	C	.	.			trans	-67.3	148.9	-175.3	29.3	-36.6	0	0	0	112.2	D160 R187 W191 L194 L208	D160-P189 CarbonylContact O-C 3.5Å; D160-P189 WeakPolarHBondContact O-CA 3.42Å; R187-P189 VanDerWaalsContact O-CD 3.29Å; R187-P189 WeakPolarHBondContact O-CD 3.46Å; P189-W191 HydrophobicContact CB-CD2 4.48Å; P189-W191 HydrophobicContact CB-CE3 4.22Å; P189-W191 HydrophobicContact CB-CH2 4.34Å; P189-W191 HydrophobicContact CB-CZ3 4.1Å; P189-W191 HydrophobicContact CG-CD2 3.85Å; P189-W191 HydrophobicContact CG-CE3 3.79Å; P189-W191 HydrophobicContact CG-CH2 3.23Å; P189-W191 HydrophobicContact CG-CZ2 3.34Å; P189-W191 HydrophobicContact CG-CZ3 3.44Å; P189-W191 VanDerWaalsContact CG-CZ3 3.44Å; P189-W191 PolarHBondContact O-N 2.79Å; P189-L194 HydrophobicContact CB-CD1 3.58Å; P189-L194 HydrophobicContact CG-CD1 4.4Å; P189-L208 HydrophobicContact CG-CD1 4.06Å
190	K	79.4	Confident	83	Confident	106 Å²	106	39 Å²	39	46%	0.461	18%	0.178	S	C	.	.			trans	-79.1	100.6	164.5	-162.2	-173.1	174.7	-174.7	0	108.4	D160 G161 E192 E193 L194	D160-K190 PolarHBondContact O-N 3.29Å; G161-K190 WeakPolarHBondContact O-CB 3.33Å; G161-K190 WeakPolarHBondContact O-CD 3.48Å; K190-E192 PolarHBondContact O-N 2.91Å; K190-E193 HydrophobicContact CD-CB 4.47Å; K190-E193 PolarHBondContact O-N 3.1Å; K190-L194 PolarHBondContact O-N 3.44Å
191	W	69.9	Low	82.5	Confident	45 Å²	45	40.9 Å²	40.9	17%	0.17	19%	0.191	C	C	.	.	H	α-helix	trans	-58.2	-49.4	-173.9	-73.5	131.9	0	0	0	113.5	V24 P189 E193 L194 H195 V206 L208	V24-W191 HydrophobicContact CB-CE3 4.31Å; V24-W191 HydrophobicContact CB-CH2 3.82Å; V24-W191 HydrophobicContact CB-CZ2 4.23Å; V24-W191 HydrophobicContact CB-CZ3 3.89Å; V24-W191 HydrophobicContact CG1-CH2 3.55Å; V24-W191 HydrophobicContact CG1-CZ2 4.19Å; V24-W191 HydrophobicContact CG1-CZ3 3.94Å; V24-W191 HydrophobicContact CG2-CD2 4.03Å; V24-W191 HydrophobicContact CG2-CE3 3.29Å; V24-W191 HydrophobicContact CG2-CH2 3.54Å; V24-W191 HydrophobicContact CG2-CZ2 4.18Å; V24-W191 HydrophobicContact CG2-CZ3 3.06Å; P189-W191 HydrophobicContact CB-CD2 4.48Å; P189-W191 HydrophobicContact CB-CE3 4.22Å; P189-W191 HydrophobicContact CB-CH2 4.34Å; P189-W191 HydrophobicContact CB-CZ3 4.1Å; P189-W191 HydrophobicContact CG-CD2 3.85Å; P189-W191 HydrophobicContact CG-CE3 3.79Å; P189-W191 HydrophobicContact CG-CH2 3.23Å; P189-W191 HydrophobicContact CG-CZ2 3.34Å; P189-W191 HydrophobicContact CG-CZ3 3.44Å; P189-W191 VanDerWaalsContact CG-CZ3 3.44Å; P189-W191 PolarHBondContact O-N 2.79Å; W191-E193 PolarHBondContact O-N 3.41Å; W191-L194 HydrophobicContact CE3-CD1 4.04Å; W191-L194 HydrophobicContact CZ3-CD1 3.9Å; W191-L194 PolarHBondContact O-N 2.65Å; W191-H195 AromaticContact CE3-CE1 3.79Å; W191-H195 AromaticContact CG-CE1 3.97Å; W191-H195 PolarHBondContact O-N 3.42Å; W191-H195 PolarHBondContact O-ND1 3.33Å; W191-V206 HydrophobicContact CE3-CG1 4.39Å; W191-V206 HydrophobicContact CZ3-CG1 4.21Å; W191-L208 HydrophobicContact CH2-CB 3.79Å; W191-L208 HydrophobicContact CH2-CD1 3.68Å; W191-L208 HydrophobicContact CH2-CG 4.22Å; W191-L208 HydrophobicContact CZ2-CB 4.23Å; W191-L208 HydrophobicContact CZ2-CD1 3.81Å; W191-L208 HydrophobicContact CZ2-CD2 4.38Å; W191-L208 HydrophobicContact CZ2-CG 4.35Å
192	E	75.9	Confident	81.5	Confident	145 Å²	145	41 Å²	41	68%	0.678	19%	0.191	S	C	*	.	H	α-helix	trans	-48.6	-39.9	180	-65.8	171.8	177.1	0	0	113	K190 S196	K190-E192 PolarHBondContact O-N 2.91Å; E192-S196 WeakPolarHBondContact O-CB 3.5Å; E192-S196 PolarHBondContact O-N 3.21Å; E192-S196 VanDerWaalsContact O-N 3.15Å
193	E	82.3	Confident	80.2	Confident	20 Å²	20	44.2 Å²	44.2	9%	0.093	21%	0.206	C	C	.	.	H	α-helix	trans	-68	-49.8	177.8	-169.5	176.3	129.8	0	0	111.6	S163 V167 K190 W191 H195 S196 L197	S163-E193 WeakPolarHBondContact CB-OE1 3.46Å; S163-E193 PolarHBondContact N-OE1 2.85Å; S163-E193 PolarHBondContact N-OE2 2.77Å; S163-E193 VanDerWaalsContact N-OE2 3.08Å; V167-E193 HydrophobicContact CG2-CG 3.92Å; K190-E193 HydrophobicContact CD-CB 4.47Å; K190-E193 PolarHBondContact O-N 3.1Å; W191-E193 PolarHBondContact O-N 3.41Å; E193-H195 VanDerWaalsContact C-N 3.33Å; E193-H195 PolarHBondContact O-N 2.8Å; E193-S196 PolarHBondContact O-N 2.81Å; E193-S196 PolarHBondContact O-OG 2.86Å; E193-L197 HydrophobicContact CG-CD1 4.18Å; E193-L197 VanDerWaalsContact O-CG 3.28Å; E193-L197 WeakPolarHBondContact O-CG 3.13Å; E193-L197 PolarHBondContact O-N 2.92Å
194	L	83.9	Confident	79.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-36.4	-179.1	-62.3	-173.3	0	0	0	113.1	L157 A183 G185 P189 K190 W191 L197 A198 V206	L157-L194 HydrophobicContact CD2-CD2 4.39Å; A183-L194 HydrophobicContact CB-CB 3.96Å; A183-L194 HydrophobicContact CB-CD2 4.3Å; G185-L194 VanDerWaalsContact CA-CD1 3.43Å; P189-L194 HydrophobicContact CB-CD1 3.58Å; P189-L194 HydrophobicContact CG-CD1 4.4Å; K190-L194 PolarHBondContact O-N 3.44Å; W191-L194 HydrophobicContact CE3-CD1 4.04Å; W191-L194 HydrophobicContact CZ3-CD1 3.9Å; W191-L194 PolarHBondContact O-N 2.65Å; L194-L197 HydrophobicContact CD2-CD1 4.31Å; L194-L197 WeakPolarHBondContact O-CB 3.29Å; L194-L197 PolarHBondContact O-N 2.93Å; L194-A198 PolarHBondContact O-N 3.18Å; L194-A198 VanDerWaalsContact O-N 3.1Å; L194-V206 HydrophobicContact CB-CG1 4.04Å
195	H	81.2	Confident	78.9	Confident	9 Å²	9	46.1 Å²	46.1	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-70.4	-36.7	176.4	-61.4	105.7	0	0	0	112.3	A22 S23 V24 W191 E193 L197 V202	A22-H195 WeakPolarHBondContact CA-CD2 3.34Å; A22-H195 VanDerWaalsContact CA-CE1 3.46Å; A22-H195 WeakPolarHBondContact CA-CE1 3.42Å; A22-H195 VanDerWaalsContact CA-ND1 3.34Å; A22-H195 WeakPolarHBondContact CA-ND1 3.36Å; A22-H195 WeakPolarHBondContact CA-NE2 3.49Å; A22-H195 HydrophobicContact CB-CB 3.91Å; A22-H195 WeakPolarHBondContact CB-CE1 3.14Å; A22-H195 WeakPolarHBondContact CB-ND1 3.45Å; A22-H195 PolarHBondContact O-CE1 2.93Å; A22-H195 VanDerWaalsContact O-CE1 3.26Å; A22-H195 PolarHBondContact O-NE2 3.15Å; S23-H195 PolarHBondContact N-CD2 2.79Å; S23-H195 VanDerWaalsContact N-CD2 3.31Å; S23-H195 PolarHBondContact N-NE2 3.2Å; S23-H195 PolarHBondContact O-CD2 2.86Å; S23-H195 PolarHBondContact O-NE2 3.2Å; V24-H195 VanDerWaalsContact CG2-NE2 3.29Å; V24-H195 WeakPolarHBondContact CG2-NE2 2.97Å; W191-H195 AromaticContact CE3-CE1 3.79Å; W191-H195 AromaticContact CG-CE1 3.97Å; W191-H195 PolarHBondContact O-N 3.42Å; W191-H195 PolarHBondContact O-ND1 3.33Å; E193-H195 VanDerWaalsContact C-N 3.33Å; E193-H195 PolarHBondContact O-N 2.8Å; H195-L197 PolarHBondContact O-N 2.89Å; H195-V202 HydrophobicContact CB-CG1 3.88Å; H195-V202 WeakPolarHBondContact CD2-CG1 3.43Å
196	S	82.3	Confident	78.6	Confident	45 Å²	45	46.1 Å²	46.1	32%	0.315	22%	0.219	S	C	.	.	H	α-helix	trans	-65.5	-22.8	173.5	77	0	0	0	0	113.2	E192 E193	E192-S196 WeakPolarHBondContact O-CB 3.5Å; E192-S196 PolarHBondContact O-N 3.21Å; E192-S196 VanDerWaalsContact O-N 3.15Å; E193-S196 PolarHBondContact O-N 2.81Å; E193-S196 PolarHBondContact O-OG 2.86Å
197	L	88.5	Confident	78.4	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-84	-47.4	-179	-74.9	168.7	0	0	0	112.3	T130 L134 L157 V167 A171 L181 E193 L194 H195	T130-L197 HydrophobicContact CG2-CD1 4.11Å; L134-L197 HydrophobicContact CD1-CD2 3.56Å; L157-L197 HydrophobicContact CD2-CD1 3.63Å; V167-L197 HydrophobicContact CB-CD2 3.62Å; V167-L197 HydrophobicContact CB-CG 4.35Å; V167-L197 HydrophobicContact CG2-CD1 4.35Å; V167-L197 HydrophobicContact CG2-CD2 3.81Å; V167-L197 HydrophobicContact CG2-CG 4.06Å; A171-L197 HydrophobicContact CB-CD2 3.49Å; A171-L197 VanDerWaalsContact CB-CD2 3.49Å; L181-L197 VanDerWaalsContact CD2-O 3.27Å; L181-L197 WeakPolarHBondContact CD2-O 3.48Å; E193-L197 HydrophobicContact CG-CD1 4.18Å; E193-L197 VanDerWaalsContact O-CG 3.28Å; E193-L197 WeakPolarHBondContact O-CG 3.13Å; E193-L197 PolarHBondContact O-N 2.92Å; L194-L197 HydrophobicContact CD2-CD1 4.31Å; L194-L197 WeakPolarHBondContact O-CB 3.29Å; L194-L197 PolarHBondContact O-N 2.93Å; H195-L197 PolarHBondContact O-N 2.89Å
198	A	88.8	Confident	78.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-65.4	167.4	-170.9	0	0	0	0	0	114.6	K175 L181 A183 L194 H205 V206	K175-A198 PolarHBondContact NZ-O 3.32Å; L181-A198 CarbonylContact O-C 3.58Å; L181-A198 WeakPolarHBondContact O-CA 3.45Å; A183-A198 HydrophobicContact CB-CB 4.09Å; L194-A198 PolarHBondContact O-N 3.18Å; L194-A198 VanDerWaalsContact O-N 3.1Å; A198-H205 HydrophobicContact CB-CB 3.95Å; A198-V206 HydrophobicContact CB-CG2 3.33Å
199	S	89.9	Confident	77.9	Confident	13 Å²	13	35.3 Å²	35.3	9%	0.091	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-82.4	158.3	177.4	-51.4	0	0	0	0	111.6	L181 P201 V202 H205	L181-S199 PolarHBondContact N-OG 3.33Å; L181-S199 PolarHBondContact O-N 2.79Å; L181-S199 PolarHBondContact O-OG 3.01Å; S199-P201 CarbonylContact O-C 3.5Å; S199-V202 PolarHBondContact O-N 3.02Å; S199-H205 WeakPolarHBondContact O-CB 3.45Å; S199-H205 PolarHBondContact O-ND1 2.54Å; S199-H205 VanDerWaalsContact O-ND1 3.12Å
200	E	82.1	Confident	77	Confident	138 Å²	138	38.2 Å²	38.2	65%	0.645	20%	0.196	S	C	*	.	S	Bend	trans	-82.7	144.5	176.7	-65.8	-63.6	165	0	0	111.4	V202 H205	E200-V202 PolarHBondContact OE2-N 2.96Å; E200-H205 PolarHBondContact O-CE1 2.7Å
201	P	80.4	Confident	75.8	Confident	65 Å²	65	36.8 Å²	36.8	42%	0.422	19%	0.19	S	C	.	.	S	Bend	cis	-72.6	133.8	-7.3	29.7	-33.3	0	0	0	110.8	S199 E203 S204 H205	S199-P201 CarbonylContact O-C 3.5Å; P201-E203 PolarHBondContact O-N 2.88Å; P201-E203 VanDerWaalsContact O-N 3.11Å; P201-S204 PolarHBondContact O-N 2.78Å; P201-H205 PolarHBondContact O-ND1 3.5Å
202	V	71.1	Confident	75.1	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.012	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-52.5	-35.4	-178.5	168.4	0	0	0	0	112	A21 H195 S199 E200 S204 H205 V206	A21-V202 HydrophobicContact CB-CG2 4.47Å; H195-V202 HydrophobicContact CB-CG1 3.88Å; H195-V202 WeakPolarHBondContact CD2-CG1 3.43Å; S199-V202 PolarHBondContact O-N 3.02Å; E200-V202 PolarHBondContact OE2-N 2.96Å; V202-S204 PolarHBondContact O-N 2.8Å; V202-S204 VanDerWaalsContact O-N 3.08Å; V202-H205 PolarHBondContact O-N 3.4Å; V202-H205 VanDerWaalsContact O-N 3.1Å; V202-V206 HydrophobicContact CG1-CG2 3.94Å; V202-V206 PolarHBondContact O-N 3.29Å
203	E	63.7	Low	74.1	Confident	69 Å²	69	33 Å²	33	32%	0.322	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-57.4	-24.3	178.7	-67.2	59	-133.9	0	0	114.4	S23 Q25 P201	S23-E203 WeakPolarHBondContact OG-CA 3.5Å; S23-E203 WeakPolarHBondContact OG-CG 3.41Å; S23-E203 PolarHBondContact OG-N 3.19Å; S23-E203 PolarHBondContact OG-OE1 2.98Å; Q25-E203 VanDerWaalsContact CD-O 3.25Å; Q25-E203 PolarHBondContact OE1-O 3.5Å; Q25-E203 VanDerWaalsContact OE1-O 3.04Å; P201-E203 PolarHBondContact O-N 2.88Å; P201-E203 VanDerWaalsContact O-N 3.11Å
204	S	68.3	Low	72.9	Confident	34 Å²	34	33.2 Å²	33.2	24%	0.238	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-107	-3.9	-176.5	-55	0	0	0	0	113.1	P201 V202 F207 T222	P201-S204 PolarHBondContact O-N 2.78Å; V202-S204 PolarHBondContact O-N 2.8Å; V202-S204 VanDerWaalsContact O-N 3.08Å; S204-F207 WeakPolarHBondContact O-CE2 3.01Å; S204-F207 VanDerWaalsContact O-CZ 3.25Å; S204-F207 WeakPolarHBondContact O-CZ 3.28Å; S204-T222 WeakPolarHBondContact O-CB 3.24Å; S204-T222 WeakPolarHBondContact O-CG2 3.45Å; S204-T222 PolarHBondContact O-OG1 3.38Å
205	H	81.3	Confident	71.8	Confident	5 Å²	5	33.2 Å²	33.2	2%	0.023	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124	-1.2	-173.1	-63.5	94.5	0	0	0	113.7	V180 F182 A183 A198 S199 E200 P201 V202	V180-H205 WeakPolarHBondContact CG1-NE2 3.3Å; F182-H205 CarbonylContact C-O 3.5Å; F182-H205 WeakPolarHBondContact CA-O 3.46Å; F182-H205 HydrophobicContact CD1-CB 4.18Å; F182-H205 AromaticContact CD1-CD2 3.81Å; F182-H205 HydrophobicContact CE1-CB 4.47Å; F182-H205 AromaticContact CE1-CD2 3.45Å; F182-H205 VanDerWaalsContact CE1-CD2 3.45Å; F182-H205 WeakPolarHBondContact CE1-CD2 3Å; F182-H205 AromaticContact CE2-CD2 3.98Å; F182-H205 AromaticContact CZ-CD2 3.54Å; A183-H205 PolarHBondContact N-O 3.31Å; A198-H205 HydrophobicContact CB-CB 3.95Å; S199-H205 WeakPolarHBondContact O-CB 3.45Å; S199-H205 PolarHBondContact O-ND1 2.54Å; S199-H205 VanDerWaalsContact O-ND1 3.12Å; E200-H205 PolarHBondContact O-CE1 2.7Å; P201-H205 PolarHBondContact O-ND1 3.5Å; V202-H205 PolarHBondContact O-N 3.4Å; V202-H205 VanDerWaalsContact O-N 3.1Å
206	V	80.1	Confident	71.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.2	175.8	-160.7	0	0	0	0	112	V24 Q25 A183 W191 L194 A198 V202	V24-V206 WeakPolarHBondContact CA-O 3.45Å; V24-V206 HydrophobicContact CG2-CB 3.7Å; V24-V206 HydrophobicContact CG2-CG1 3.22Å; Q25-V206 PolarHBondContact N-O 2.92Å; A183-V206 HydrophobicContact CB-CG1 4.18Å; A183-V206 HydrophobicContact CB-CG2 4.37Å; A183-V206 CarbonylContact O-C 3.44Å; A183-V206 WeakPolarHBondContact O-CA 3.48Å; A183-V206 VanDerWaalsContact O-CG1 3.31Å; A183-V206 WeakPolarHBondContact O-CG1 3.49Å; W191-V206 HydrophobicContact CE3-CG1 4.39Å; W191-V206 HydrophobicContact CZ3-CG1 4.21Å; L194-V206 HydrophobicContact CB-CG1 4.04Å; A198-V206 HydrophobicContact CB-CG2 3.33Å; V202-V206 HydrophobicContact CG1-CG2 3.94Å; V202-V206 PolarHBondContact O-N 3.29Å
207	F	76.3	Confident	70	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	155.3	-170.3	-62.6	-71.4	0	0	0	112.4	V24 Q25 F182 A183 V184 G185 S204 A215 V219	V24-F207 VanDerWaalsContact CG1-CA 3.48Å; Q25-F207 HydrophobicContact CB-CD1 3.82Å; Q25-F207 HydrophobicContact CB-CE1 3.69Å; Q25-F207 HydrophobicContact CG-CE1 4.37Å; F182-F207 HydrophobicContact CD1-CD2 4.32Å; F182-F207 AromaticContact CD1-CE2 3.72Å; F182-F207 HydrophobicContact CD1-CE2 3.72Å; F182-F207 HydrophobicContact CE1-CE2 4.03Å; A183-F207 PolarHBondContact O-N 3.33Å; V184-F207 CarbonylContact C-O 3.54Å; V184-F207 WeakPolarHBondContact CA-O 3.4Å; V184-F207 HydrophobicContact CG1-CB 4.37Å; V184-F207 HydrophobicContact CG2-CB 4.27Å; G185-F207 PolarHBondContact N-O 3.49Å; S204-F207 WeakPolarHBondContact O-CE2 3.01Å; S204-F207 VanDerWaalsContact O-CZ 3.25Å; S204-F207 WeakPolarHBondContact O-CZ 3.28Å; F207-A215 HydrophobicContact CB-CB 3.91Å; F207-V219 HydrophobicContact CD2-CG2 3.5Å; F207-V219 VanDerWaalsContact CD2-CG2 3.5Å; F207-V219 HydrophobicContact CE2-CB 4.41Å; F207-V219 HydrophobicContact CE2-CG2 3.47Å; F207-V219 VanDerWaalsContact CE2-CG2 3.47Å; F207-V219 HydrophobicContact CG-CG2 4.34Å; F207-V219 HydrophobicContact CZ-CG2 4.29Å
208	L	69.5	Low	68.8	Low	23 Å²	23	31.9 Å²	31.9	12%	0.12	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.9	173.7	-179.9	62.3	0	0	0	109.6	V24 P189 W191 D210	V24-L208 HydrophobicContact CG1-CB 3.69Å; P189-L208 HydrophobicContact CG-CD1 4.06Å; W191-L208 HydrophobicContact CH2-CB 3.79Å; W191-L208 HydrophobicContact CH2-CD1 3.68Å; W191-L208 HydrophobicContact CH2-CG 4.22Å; W191-L208 HydrophobicContact CZ2-CB 4.23Å; W191-L208 HydrophobicContact CZ2-CD1 3.81Å; W191-L208 HydrophobicContact CZ2-CD2 4.38Å; W191-L208 HydrophobicContact CZ2-CG 4.35Å; L208-D210 VanDerWaalsContact C-N 3.33Å; L208-D210 HydrophobicContact CD2-CB 4.35Å; L208-D210 HydrophobicContact CG-CB 4.2Å; L208-D210 PolarHBondContact O-N 2.85Å
209	A	65.8	Low	67.9	Low	10 Å²	10	31.9 Å²	31.9	8%	0.083	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-11.4	-175.4	0	0	0	0	0	115.4	V184 G185 L186 H211 F212	V184-A209 HydrophobicContact CG1-CB 3.91Å; G185-A209 WeakPolarHBondContact O-CB 3.33Å; G185-A209 PolarHBondContact O-N 3.47Å; L186-A209 HydrophobicContact CD2-CB 3.62Å; A209-H211 PolarHBondContact O-N 2.03Å; A209-F212 PolarHBondContact O-N 2.85Å
210	D	56.6	Low	66.7	Low	74 Å²	74	31.4 Å²	31.4	40%	0.396	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.3	-179.3	-84.5	-0.2	0	0	0	112	L208	L208-D210 VanDerWaalsContact C-N 3.33Å; L208-D210 HydrophobicContact CD2-CB 4.35Å; L208-D210 HydrophobicContact CG-CB 4.2Å; L208-D210 PolarHBondContact O-N 2.85Å
211	H	53.8	Low	65.8	Low	75 Å²	75	26.5 Å²	26.5	35%	0.347	14%	0.142	S	C	.	.	S	Bend	trans	-106.2	81.1	166.4	-57.5	-60.3	0	0	0	109.2	E26 A209 H213 D214 A215	E26-H211 IonicContact OE1-CD2 2.79Å; E26-H211 IonicContact OE2-CD2 3.61Å; A209-H211 PolarHBondContact O-N 2.03Å; H211-H213 PolarHBondContact O-N 3.07Å; H211-H213 VanDerWaalsContact O-N 3.1Å; H211-D214 HydrophobicContact CB-CB 4.12Å; H211-D214 WeakPolarHBondContact CB-OD2 3.01Å; H211-D214 IonicContact CG-OD2 2.63Å; H211-D214 PolarHBondContact O-N 2.81Å; H211-A215 PolarHBondContact O-N 2.96Å
212	F	56.3	Low	65.2	Low	31 Å²	31	23.8 Å²	23.8	14%	0.136	12%	0.124	C	C	.	.	H	α-helix	trans	-45.4	-44.8	-174	158	-95.6	0	0	0	113.4	Y73 K76 A209 D214 V216	Y73-F212 HydrophobicContact CD2-CD2 4.07Å; Y73-F212 HydrophobicContact CD2-CE2 4.16Å; K76-F212 HydrophobicContact CB-CD2 4.12Å; K76-F212 HydrophobicContact CB-CE1 3.9Å; K76-F212 HydrophobicContact CB-CE2 3.03Å; K76-F212 HydrophobicContact CB-CZ 2.96Å; K76-F212 HydrophobicContact CD-CE1 3.65Å; K76-F212 HydrophobicContact CD-CE2 4.28Å; K76-F212 HydrophobicContact CD-CZ 3.58Å; K76-F212 HydrophobicContact CG-CD1 4.43Å; K76-F212 HydrophobicContact CG-CD2 4.2Å; K76-F212 HydrophobicContact CG-CE1 3.73Å; K76-F212 HydrophobicContact CG-CE2 3.48Å; K76-F212 VanDerWaalsContact CG-CE2 3.48Å; K76-F212 HydrophobicContact CG-CZ 3.3Å; A209-F212 PolarHBondContact O-N 2.85Å; F212-D214 PolarHBondContact O-N 3.26Å; F212-V216 HydrophobicContact CD2-CG2 4.23Å; F212-V216 HydrophobicContact CE2-CB 4.26Å; F212-V216 HydrophobicContact CE2-CG2 3.23Å; F212-V216 HydrophobicContact CZ-CB 4.06Å; F212-V216 HydrophobicContact CZ-CG2 3.46Å; F212-V216 VanDerWaalsContact CZ-CG2 3.46Å; F212-V216 PolarHBondContact O-N 3.12Å
213	H	55.2	Low	65.1	Low	79 Å²	79	23.8 Å²	23.8	37%	0.366	12%	0.124	S	C	.	.	H	α-helix	trans	-64.5	-38.4	-179.8	-70.5	-81.6	0	0	0	112.4	N38 H211 V216 N217	N38-H213 PolarHBondContact ND2-ND1 2.78Å; N38-H213 PolarHBondContact OD1-ND1 3.32Å; H211-H213 PolarHBondContact O-N 3.07Å; H211-H213 VanDerWaalsContact O-N 3.1Å; H213-V216 PolarHBondContact O-N 3.34Å; H213-N217 VanDerWaalsContact O-CB 3.24Å; H213-N217 WeakPolarHBondContact O-CB 3.43Å; H213-N217 PolarHBondContact O-N 2.81Å; H213-N217 PolarHBondContact O-ND2 3.49Å; H213-N217 VanDerWaalsContact O-ND2 3.09Å
214	D	56	Low	65.1	Low	25 Å²	25	22.5 Å²	22.5	13%	0.134	12%	0.123	C	C	.	.	H	α-helix	trans	-74.9	-38.4	-175.1	-60.3	-35.6	0	0	0	112.2	E26 H211 F212 V216 N217 G218	E26-D214 HydrophobicContact CG-CB 4.25Å; E26-D214 WeakPolarHBondContact CG-OD2 3.44Å; H211-D214 HydrophobicContact CB-CB 4.12Å; H211-D214 WeakPolarHBondContact CB-OD2 3.01Å; H211-D214 IonicContact CG-OD2 2.63Å; H211-D214 PolarHBondContact O-N 2.81Å; F212-D214 PolarHBondContact O-N 3.26Å; D214-V216 VanDerWaalsContact C-N 3.29Å; D214-V216 PolarHBondContact O-N 3Å; D214-N217 PolarHBondContact O-N 3.01Å; D214-G218 PolarHBondContact O-N 3.25Å
215	A	62.1	Low	64.8	Low	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.2	-30.1	174.5	0	0	0	0	0	112.3	Y73 V184 F207 H211 V219	Y73-A215 HydrophobicContact CD2-CB 4.1Å; Y73-A215 HydrophobicContact CE2-CB 3.44Å; Y73-A215 VanDerWaalsContact CE2-CB 3.44Å; Y73-A215 PolarHBondContact OH-O 3.04Å; V184-A215 HydrophobicContact CG1-CB 4.44Å; F207-A215 HydrophobicContact CB-CB 3.91Å; H211-A215 PolarHBondContact O-N 2.96Å; A215-V219 WeakPolarHBondContact O-CG2 3.26Å; A215-V219 PolarHBondContact O-N 3.15Å
216	V	64.7	Low	64	Low	8 Å²	8	27.4 Å²	27.4	5%	0.048	16%	0.157	C	C	.	.	H	α-helix	trans	-76.1	-46.5	173.2	168.4	0	0	0	0	110.7	Y73 L77 A80 F212 H213 D214 G218 V219 S220	Y73-V216 HydrophobicContact CD2-CG2 3.86Å; Y73-V216 HydrophobicContact CE2-CG2 3.56Å; L77-V216 HydrophobicContact CB-CG2 4.12Å; L77-V216 HydrophobicContact CD1-CG1 4.09Å; A80-V216 HydrophobicContact CB-CG1 4.49Å; F212-V216 HydrophobicContact CD2-CG2 4.23Å; F212-V216 HydrophobicContact CE2-CB 4.26Å; F212-V216 HydrophobicContact CE2-CG2 3.23Å; F212-V216 HydrophobicContact CZ-CB 4.06Å; F212-V216 HydrophobicContact CZ-CG2 3.46Å; F212-V216 VanDerWaalsContact CZ-CG2 3.46Å; F212-V216 PolarHBondContact O-N 3.12Å; H213-V216 PolarHBondContact O-N 3.34Å; D214-V216 VanDerWaalsContact C-N 3.29Å; D214-V216 PolarHBondContact O-N 3Å; V216-G218 VanDerWaalsContact C-N 3.3Å; V216-G218 PolarHBondContact O-N 3.28Å; V216-V219 PolarHBondContact O-N 3.35Å; V216-S220 WeakPolarHBondContact O-CB 3.24Å; V216-S220 PolarHBondContact O-N 2.95Å; V216-S220 PolarHBondContact O-OG 3.06Å
217	N	60.5	Low	62.9	Low	18 Å²	18	31.6 Å²	31.6	10%	0.096	19%	0.186	C	C	.	.	H	α-helix	trans	-61.1	-41.2	178.3	-70.2	-21.6	0	0	0	111.5	H213 D214 S220 T221	H213-N217 VanDerWaalsContact O-CB 3.24Å; H213-N217 WeakPolarHBondContact O-CB 3.43Å; H213-N217 PolarHBondContact O-N 2.81Å; H213-N217 PolarHBondContact O-ND2 3.49Å; H213-N217 VanDerWaalsContact O-ND2 3.09Å; D214-N217 PolarHBondContact O-N 3.01Å; N217-S220 PolarHBondContact O-N 3.19Å; N217-T221 VanDerWaalsContact O-CB 3.23Å; N217-T221 WeakPolarHBondContact O-CB 3.48Å; N217-T221 PolarHBondContact O-N 3.35Å; N217-T221 PolarHBondContact O-OG1 2.97Å
218	G	63.1	Low	62.3	Low	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.5	-51.2	176.6	0	0	0	0	0	112.8	D214 V216 S220 T221 T222	D214-G218 PolarHBondContact O-N 3.25Å; V216-G218 VanDerWaalsContact C-N 3.3Å; V216-G218 PolarHBondContact O-N 3.28Å; G218-S220 PolarHBondContact O-N 3.43Å; G218-T221 PolarHBondContact O-N 3.14Å; G218-T222 PolarHBondContact O-N 3.4Å; G218-T222 PolarHBondContact O-OG1 3.01Å; G218-T222 VanDerWaalsContact O-OG1 3.12Å
219	V	69.1	Low	61.8	Low	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.3	-46.1	175.3	171.9	0	0	0	0	111.1	Y73 L77 I156 F182 F207 A215 V216 T221 T222 L223	Y73-V219 WeakPolarHBondContact OH-CG2 3.22Å; L77-V219 HydrophobicContact CD1-CB 4.49Å; L77-V219 HydrophobicContact CD1-CG1 4.18Å; L77-V219 HydrophobicContact CD2-CG1 4.09Å; I156-V219 HydrophobicContact CD1-CG1 4.26Å; F182-V219 HydrophobicContact CD1-CG2 4.07Å; F182-V219 HydrophobicContact CE1-CG2 4.42Å; F207-V219 HydrophobicContact CD2-CG2 3.5Å; F207-V219 VanDerWaalsContact CD2-CG2 3.5Å; F207-V219 HydrophobicContact CE2-CB 4.41Å; F207-V219 HydrophobicContact CE2-CG2 3.47Å; F207-V219 VanDerWaalsContact CE2-CG2 3.47Å; F207-V219 HydrophobicContact CG-CG2 4.34Å; F207-V219 HydrophobicContact CZ-CG2 4.29Å; A215-V219 WeakPolarHBondContact O-CG2 3.26Å; A215-V219 PolarHBondContact O-N 3.15Å; V216-V219 PolarHBondContact O-N 3.35Å; V219-T221 VanDerWaalsContact C-N 3.32Å; V219-T221 PolarHBondContact O-N 2.86Å; V219-T222 PolarHBondContact O-N 3.11Å; V219-L223 HydrophobicContact CG1-CD1 3.82Å; V219-L223 HydrophobicContact CG1-CG 4.24Å; V219-L223 WeakPolarHBondContact O-CB 3.47Å; V219-L223 WeakPolarHBondContact O-CG 3.39Å; V219-L223 PolarHBondContact O-N 2.92Å
220	S	66.1	Low	61.3	Low	4 Å²	4	37.3 Å²	37.3	3%	0.028	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-38.5	177.9	-63.1	0	0	0	0	112.8	V216 N217 G218 S224	V216-S220 WeakPolarHBondContact O-CB 3.24Å; V216-S220 PolarHBondContact O-N 2.95Å; V216-S220 PolarHBondContact O-OG 3.06Å; N217-S220 PolarHBondContact O-N 3.19Å; G218-S220 PolarHBondContact O-N 3.43Å; S220-S224 WeakPolarHBondContact O-CB 3.42Å; S220-S224 PolarHBondContact O-N 2.97Å; S220-S224 PolarHBondContact O-OG 3.04Å
221	T	61.3	Low	60.8	Low	35 Å²	35	35.5 Å²	35.5	22%	0.215	22%	0.217	C	C	.	.	H	α-helix	trans	-66.1	-47	176.9	-59.4	0	0	0	0	110.7	N217 G218 V219 L223 S224 A225	N217-T221 VanDerWaalsContact O-CB 3.23Å; N217-T221 WeakPolarHBondContact O-CB 3.48Å; N217-T221 PolarHBondContact O-N 3.35Å; N217-T221 PolarHBondContact O-OG1 2.97Å; G218-T221 PolarHBondContact O-N 3.14Å; V219-T221 VanDerWaalsContact C-N 3.32Å; V219-T221 PolarHBondContact O-N 2.86Å; T221-L223 PolarHBondContact O-N 2.9Å; T221-S224 PolarHBondContact O-N 3.08Å; T221-S224 VanDerWaalsContact O-N 3.17Å; T221-A225 WeakPolarHBondContact O-CB 3.41Å; T221-A225 PolarHBondContact O-N 3.46Å
222	T	68.1	Low	60.6	Low	8 Å²	8	35.3 Å²	35.3	5%	0.049	22%	0.221	C	C	.	.	H	α-helix	trans	-63.8	-41.6	177.5	-56.4	0	0	0	0	111.4	F182 S204 G218 V219 S224 A225 L226	F182-T222 HydrophobicContact CE1-CG2 3.84Å; F182-T222 HydrophobicContact CZ-CG2 3.84Å; S204-T222 WeakPolarHBondContact O-CB 3.24Å; S204-T222 WeakPolarHBondContact O-CG2 3.45Å; S204-T222 PolarHBondContact O-OG1 3.38Å; G218-T222 PolarHBondContact O-N 3.4Å; G218-T222 PolarHBondContact O-OG1 3.01Å; G218-T222 VanDerWaalsContact O-OG1 3.12Å; V219-T222 PolarHBondContact O-N 3.11Å; T222-S224 PolarHBondContact O-N 3.03Å; T222-A225 PolarHBondContact O-N 3.18Å; T222-L226 HydrophobicContact CG2-CD1 3.84Å; T222-L226 HydrophobicContact CG2-CG 4.29Å; T222-L226 WeakPolarHBondContact O-CB 3.35Å; T222-L226 VanDerWaalsContact O-CG 3.3Å; T222-L226 WeakPolarHBondContact O-CG 3.48Å; T222-L226 PolarHBondContact O-N 3.33Å
223	L	69.7	Low	60.3	Low	2 Å²	2	35 Å²	35	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-32.6	175.6	-70.6	174.6	0	0	0	112.5	L81 V154 F182 V219 T221 F228 C229	L81-L223 HydrophobicContact CD2-CD1 4.29Å; V154-L223 HydrophobicContact CG2-CD2 4Å; F182-L223 HydrophobicContact CE2-CD2 4.33Å; F182-L223 HydrophobicContact CZ-CD2 4.34Å; V219-L223 HydrophobicContact CG1-CD1 3.82Å; V219-L223 HydrophobicContact CG1-CG 4.24Å; V219-L223 WeakPolarHBondContact O-CB 3.47Å; V219-L223 WeakPolarHBondContact O-CG 3.39Å; V219-L223 PolarHBondContact O-N 2.92Å; T221-L223 PolarHBondContact O-N 2.9Å; L223-F228 HydrophobicContact CD2-CD2 4.28Å; L223-F228 PolarHBondContact O-N 3.25Å; L223-C229 PolarHBondContact O-N 2.95Å
224	S	62.9	Low	59.9	Low	41 Å²	41	35.9 Å²	35.9	29%	0.287	24%	0.243	S	C	.	.	H	α-helix	trans	-77.9	-43.3	176.7	-56.2	0	0	0	0	112.5	M44 S220 T221 T222 L226 S227	M44-S224 WeakPolarHBondContact CE-OG 3.37Å; S220-S224 WeakPolarHBondContact O-CB 3.42Å; S220-S224 PolarHBondContact O-N 2.97Å; S220-S224 PolarHBondContact O-OG 3.04Å; T221-S224 PolarHBondContact O-N 3.08Å; T221-S224 VanDerWaalsContact O-N 3.17Å; T222-S224 PolarHBondContact O-N 3.03Å; S224-L226 VanDerWaalsContact C-N 3.3Å; S224-L226 PolarHBondContact O-N 2.94Å; S224-S227 PolarHBondContact O-N 3.38Å
225	A	61.8	Low	59.6	Low	77 Å²	77	37.5 Å²	37.5	64%	0.636	27%	0.266	S	S	*	.	H	α-helix	trans	-64.4	-33.7	178.8	0	0	0	0	0	112.6	T221 T222 S227	T221-A225 WeakPolarHBondContact O-CB 3.41Å; T221-A225 PolarHBondContact O-N 3.46Å; T222-A225 PolarHBondContact O-N 3.18Å; A225-S227 PolarHBondContact O-N 2.78Å; A225-S227 VanDerWaalsContact O-N 3.16Å
226	L	64.4	Low	59	Low	65 Å²	65	38 Å²	38	34%	0.34	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	8.7	174.1	-66	174.3	0	0	0	113.1	T222 S224 F228	T222-L226 HydrophobicContact CG2-CD1 3.84Å; T222-L226 HydrophobicContact CG2-CG 4.29Å; T222-L226 WeakPolarHBondContact O-CB 3.35Å; T222-L226 VanDerWaalsContact O-CG 3.3Å; T222-L226 WeakPolarHBondContact O-CG 3.48Å; T222-L226 PolarHBondContact O-N 3.33Å; S224-L226 VanDerWaalsContact C-N 3.3Å; S224-L226 PolarHBondContact O-N 2.94Å; L226-F228 HydrophobicContact CB-CD2 3.54Å; L226-F228 HydrophobicContact CB-CE2 3.44Å; L226-F228 VanDerWaalsContact CB-CE2 3.44Å; L226-F228 HydrophobicContact CB-CG 4.22Å; L226-F228 HydrophobicContact CB-CZ 4.02Å; L226-F228 HydrophobicContact CD1-CD2 4.16Å; L226-F228 HydrophobicContact CD1-CE2 3.53Å; L226-F228 HydrophobicContact CD1-CZ 4.37Å; L226-F228 HydrophobicContact CG-CE2 4.1Å; L226-F228 PolarHBondContact O-N 2.93Å
227	S	57.3	Low	58.4	Low	88 Å²	88	44.4 Å²	44.4	62%	0.615	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	10.6	-178.6	68.9	0	0	0	0	115.3	S224 A225 C229	S224-S227 PolarHBondContact O-N 3.38Å; A225-S227 PolarHBondContact O-N 2.78Å; A225-S227 VanDerWaalsContact O-N 3.16Å; S227-C229 VanDerWaalsContact C-N 3.28Å; S227-C229 PolarHBondContact O-N 3.44Å
228	F	64.7	Low	58	Low	48 Å²	48	46.8 Å²	46.8	21%	0.211	32%	0.321	C	S	.	.	S	Bend	trans	-69.1	-27.9	174.8	-57.7	-44.5	0	0	0	111.6	A48 P152 V180 L223 L226	A48-F228 WeakPolarHBondContact CB-O 3.45Å; P152-F228 HydrophobicContact CB-CD1 3.89Å; P152-F228 HydrophobicContact CB-CE1 3.94Å; P152-F228 HydrophobicContact CB-CG 4.36Å; P152-F228 HydrophobicContact CB-CZ 4.42Å; P152-F228 HydrophobicContact CG-CD1 3.6Å; P152-F228 HydrophobicContact CG-CE1 3.9Å; P152-F228 HydrophobicContact CG-CG 4.34Å; V180-F228 HydrophobicContact CG2-CE2 4.27Å; V180-F228 HydrophobicContact CG2-CZ 4.36Å; L223-F228 HydrophobicContact CD2-CD2 4.28Å; L223-F228 PolarHBondContact O-N 3.25Å; L226-F228 HydrophobicContact CB-CD2 3.54Å; L226-F228 HydrophobicContact CB-CE2 3.44Å; L226-F228 VanDerWaalsContact CB-CE2 3.44Å; L226-F228 HydrophobicContact CB-CG 4.22Å; L226-F228 HydrophobicContact CB-CZ 4.02Å; L226-F228 HydrophobicContact CD1-CD2 4.16Å; L226-F228 HydrophobicContact CD1-CE2 3.53Å; L226-F228 HydrophobicContact CD1-CZ 4.37Å; L226-F228 HydrophobicContact CG-CE2 4.1Å; L226-F228 PolarHBondContact O-N 2.93Å
229	C	59.4	Low	57.5	Low	11 Å²	11	50.4 Å²	50.4	7%	0.074	34%	0.338	C	S	.	.	S	Bend	trans	-124.5	102.4	173.9	-57.8	0	0	0	0	108.5	C46 L223 S227	C46-C229 HydrophobicContact CB-CB 3.76Å; C46-C229 WeakPolarHBondContact CB-SG 3.42Å; C46-C229 WeakPolarHBondContact SG-CB 3.43Å; C46-C229 CovalentContact SG-SG 2.03Å; C46-C229 PolarHBondContact SG-SG 3.38Å; L223-C229 PolarHBondContact O-N 2.95Å; S227-C229 VanDerWaalsContact C-N 3.28Å; S227-C229 PolarHBondContact O-N 3.44Å
230	S	54.3	Low	56.6	Low	95 Å²	95	54.2 Å²	54.2	66%	0.664	36%	0.364	S	S	*	.			trans	-131.6	40.5	-169.6	51.8	0	0	0	0	114
231	A	46.6	Very low	55.9	Low	36 Å²	36	55.5 Å²	55.5	30%	0.298	37%	0.37	S	S	.	.			trans	-117.8	92.9	170.4	0	0	0	0	0	110.4	S47	S47-A231 WeakPolarHBondContact OG-CB 3.46Å
232	T	48.9	Very low	55.5	Low	71 Å²	71	59.4 Å²	59.4	44%	0.436	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-65.8	128.5	155.2	35.1	0	0	0	0	107.8	A238 T293	T232-A238 HydrophobicContact CG2-CB 4.43Å; T232-T293 HydrophobicContact CG2-CG2 3.96Å
233	P	50.5	Low	54.6	Low	25 Å²	25	59.3 Å²	59.3	16%	0.162	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-54.9	149.5	172	-22.2	31.9	0	0	0	110.9	G235 C236 L315	P233-G235 PolarHBondContact O-N 2.77Å; P233-C236 PolarHBondContact O-N 2.79Å; P233-L315 HydrophobicContact CB-CD1 3.54Å; P233-L315 HydrophobicContact CG-CD1 4.41Å
234	A	46.2	Very low	53.6	Low	96 Å²	96	62.5 Å²	62.5	79%	0.793	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	126	175.2	0	0	0	0	0	109.8
235	G	50.3	Low	52.8	Low	60 Å²	60	62.2 Å²	62.2	62%	0.619	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.3	-0.9	-174.6	0	0	0	0	0	115.8	P233	P233-G235 PolarHBondContact O-N 2.77Å
236	C	50.1	Low	52.1	Low	11 Å²	11	60.1 Å²	60.1	7%	0.074	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	143.7	177.4	-50.1	0	0	0	0	112.8	P233 T293 V294 C295 L315	P233-C236 PolarHBondContact O-N 2.79Å; C236-T293 HydrophobicContact CB-CG2 3.63Å; C236-V294 CarbonylContact C-O 3.59Å; C236-V294 WeakPolarHBondContact CA-O 3.08Å; C236-C295 HydrophobicContact CB-CB 3.96Å; C236-C295 WeakPolarHBondContact CB-SG 3.18Å; C236-C295 WeakPolarHBondContact SG-CB 3.3Å; C236-C295 CovalentContact SG-SG 2.03Å; C236-C295 PolarHBondContact SG-SG 3.25Å; C236-L315 WeakPolarHBondContact SG-CD2 3.35Å
237	Q	51.8	Low	51.1	Low	141 Å²	141	57.4 Å²	57.4	66%	0.659	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	142.3	177.6	-63.7	-171.8	-4.1	0	0	111.3	T293 V294	Q237-T293 CarbonylContact O-C 3.59Å; Q237-V294 PolarHBondContact N-O 3.11Å; Q237-V294 PolarHBondContact O-N 2.85Å
238	A	51	Low	50.4	Low	69 Å²	69	55.1 Å²	55.1	57%	0.57	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	113.2	172.2	0	0	0	0	0	109.5	T232 R292	T232-A238 HydrophobicContact CG2-CB 4.43Å; A238-R292 CarbonylContact C-O 3.55Å; A238-R292 WeakPolarHBondContact CA-O 3.29Å
239	E	52.8	Low	49.8	Very low	76 Å²	76	55.7 Å²	55.7	36%	0.355	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	132.6	176.4	-70.4	-171.9	166.9	0	0	111.1	H291 R292 V294	E239-H291 WeakPolarHBondContact O-CA 3.43Å; E239-R292 HydrophobicContact CB-CG 4.29Å; E239-R292 PolarHBondContact N-O 3.49Å; E239-R292 PolarHBondContact O-N 3.08Å; E239-R292 IonicContact OE2-CZ 2.71Å; E239-R292 IonicContact OE2-NE 3.79Å; E239-R292 PolarHBondContact OE2-NE 3.25Å; E239-R292 IonicContact OE2-NH2 3.54Å; E239-R292 PolarHBondContact OE2-NH2 2.99Å; E239-V294 HydrophobicContact CB-CG2 4.12Å; E239-V294 HydrophobicContact CG-CB 4.35Å; E239-V294 HydrophobicContact CG-CG2 3.9Å; E239-V294 VanDerWaalsContact OE2-CG2 3.27Å; E239-V294 WeakPolarHBondContact OE2-CG2 3.1Å
240	S	51.1	Low	49.4	Very low	79 Å²	79	58.9 Å²	58.9	55%	0.552	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	132.5	165.8	56.8	0	0	0	0	110.3	C290	S240-C290 CarbonylContact C-O 3.48Å; S240-C290 WeakPolarHBondContact CA-O 3.32Å
241	F	50.7	Low	49.8	Very low	32 Å²	32	56.8 Å²	56.8	14%	0.14	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.8	175.5	67.2	-81.9	0	0	0	111.2	T29 I37 C243 C290 R292	T29-F241 HydrophobicContact CG2-CE2 3.82Å; T29-F241 HydrophobicContact CG2-CZ 4.4Å; I37-F241 HydrophobicContact CD1-CZ 4.05Å; F241-C243 HydrophobicContact CD2-CB 4.32Å; F241-C243 HydrophobicContact CE2-CB 4Å; F241-C243 PolarHBondContact O-N 2.88Å; F241-C290 HydrophobicContact CD1-CB 4.11Å; F241-C290 WeakPolarHBondContact CD1-O 3.4Å; F241-C290 HydrophobicContact CD2-CB 4.23Å; F241-C290 HydrophobicContact CE1-CB 3.54Å; F241-C290 HydrophobicContact CE2-CB 3.69Å; F241-C290 HydrophobicContact CG-CB 4.43Å; F241-C290 HydrophobicContact CZ-CB 3.33Å; F241-C290 PolarHBondContact N-O 2.78Å; F241-C290 PolarHBondContact O-N 3.43Å; F241-R292 HydrophobicContact CD1-CB 4.03Å; F241-R292 HydrophobicContact CD1-CG 3.69Å; F241-R292 HydrophobicContact CE1-CB 3.61Å; F241-R292 HydrophobicContact CE1-CG 3.81Å
242	P	52	Low	50.8	Low	116 Å²	116	60.4 Å²	60.4	75%	0.753	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	134.2	176.5	28	-32.8	0	0	0	109.7
243	C	49.5	Very low	51.9	Low	7 Å²	7	62 Å²	62	5%	0.047	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	155.1	178.1	63.1	0	0	0	0	110	I27 F241 T288 C290	I27-C243 HydrophobicContact CG2-CB 3.78Å; F241-C243 HydrophobicContact CD2-CB 4.32Å; F241-C243 HydrophobicContact CE2-CB 4Å; F241-C243 PolarHBondContact O-N 2.88Å; C243-T288 PolarHBondContact N-O 3.33Å; C243-T288 CarbonylContact O-C 2.74Å; C243-T288 PolarHBondContact O-N 2.99Å; C243-T288 WeakPolarHBondContact SG-CG2 3.47Å; C243-C290 HydrophobicContact CB-CB 3.85Å; C243-C290 WeakPolarHBondContact CB-SG 3.37Å; C243-C290 WeakPolarHBondContact SG-CB 3.27Å; C243-C290 PolarHBondContact SG-N 2.9Å; C243-C290 CovalentContact SG-SG 2.02Å; C243-C290 PolarHBondContact SG-SG 3.1Å
244	E	48.3	Very low	53.2	Low	69 Å²	69	64.9 Å²	64.9	32%	0.322	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.6	-179.8	-68.1	-170.7	171.3	0	0	110.6	I27 Q28 R285 H286	I27-E244 WeakPolarHBondContact CA-O 3.46Å; Q28-E244 PolarHBondContact N-O 3.28Å; E244-R285 IonicContact OE2-NH1 2.67Å; E244-H286 CarbonylContact C-O 3.53Å
245	R	48	Very low	54.8	Low	35 Å²	35	64.2 Å²	64.2	13%	0.132	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.3	174.6	-174.9	-177.7	80.7	171.1	3.6	112.3	Q25 E26 T247 R285 H286 T288	Q25-R245 VanDerWaalsContact CG-CD 3.45Å; Q25-R245 HydrophobicContact CG-CG 4.08Å; E26-R245 WeakPolarHBondContact O-CA 3.37Å; E26-R245 WeakPolarHBondContact O-CG 3.47Å; R245-T247 HydrophobicContact CG-CG2 4.43Å; R245-R285 CarbonylContact O-C 3.48Å; R245-R285 VanDerWaalsContact O-CA 3.27Å; R245-R285 WeakPolarHBondContact O-CA 3.47Å; R245-H286 HydrophobicContact CB-CB 4.4Å; R245-H286 PolarHBondContact N-O 2.9Å; R245-H286 PolarHBondContact O-N 3.49Å; R245-T288 HydrophobicContact CB-CG2 4.06Å
246	K	45.4	Very low	56.2	Low	32 Å²	32	62.6 Å²	62.6	14%	0.139	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.5	171.4	-81.6	175	-175.6	177.2	0	112	E26 K284 R285	E26-K246 HydrophobicContact CB-CB 3.93Å; E26-K246 WeakPolarHBondContact CB-O 3.33Å; E26-K246 HydrophobicContact CG-CB 4.39Å; E26-K246 PolarHBondContact N-O 3.47Å; E26-K246 PolarHBondContact O-N 3.14Å; E26-K246 WeakPolarHBondContact OE2-CB 3.29Å; K246-K284 CarbonylContact C-O 3.52Å; K246-K284 VanDerWaalsContact CA-O 3.25Å; K246-K284 WeakPolarHBondContact CA-O 3.32Å; K246-R285 VanDerWaalsContact CE-NE 3.31Å; K246-R285 HydrophobicContact CG-CG 3.73Å
247	T	43.9	Very low	57.8	Low	9 Å²	9	66.5 Å²	66.5	6%	0.055	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.1	176.5	55.5	0	0	0	0	109.4	V24 R245 E249 Y283 K284 H286	V24-T247 WeakPolarHBondContact O-CG2 3.47Å; R245-T247 HydrophobicContact CG-CG2 4.43Å; T247-E249 PolarHBondContact O-N 3.4Å; T247-E249 PolarHBondContact OG1-OE1 3.44Å; T247-Y283 CarbonylContact O-C 3.58Å; T247-Y283 WeakPolarHBondContact O-CA 3.09Å; T247-K284 PolarHBondContact N-O 3.49Å; T247-K284 PolarHBondContact O-N 2.89Å; T247-K284 PolarHBondContact OG1-O 3.38Å; T247-H286 PolarHBondContact OG1-NE2 3.37Å
248	L	43.9	Very low	59.2	Low	39 Å²	39	65 Å²	65	20%	0.204	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	94.6	173	-174.9	69.1	0	0	0	109.4	K281 Y283	L248-K281 HydrophobicContact CD1-CB 3.98Å; L248-K281 HydrophobicContact CD2-CD 4.16Å; L248-K281 HydrophobicContact CG-CB 4.38Å; L248-Y283 HydrophobicContact CB-CD1 4.29Å; L248-Y283 HydrophobicContact CB-CE1 4.14Å; L248-Y283 HydrophobicContact CD1-CD1 3.86Å; L248-Y283 HydrophobicContact CD1-CD2 4.01Å; L248-Y283 HydrophobicContact CD1-CE1 3.65Å; L248-Y283 HydrophobicContact CD1-CE2 3.8Å; L248-Y283 HydrophobicContact CD1-CG 4.04Å; L248-Y283 HydrophobicContact CG-CE1 4.38Å
249	E	51.1	Low	60.5	Low	60 Å²	60	68.5 Å²	68.5	28%	0.28	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	140.7	-178.5	-67.2	-176.5	-170.5	0	0	111.3	T247 V251 K281 V282 K284 H286	T247-E249 PolarHBondContact O-N 3.4Å; T247-E249 PolarHBondContact OG1-OE1 3.44Å; E249-V251 PolarHBondContact O-N 3.1Å; E249-K281 CarbonylContact O-C 3.56Å; E249-K281 WeakPolarHBondContact O-CA 3.38Å; E249-V282 PolarHBondContact N-O 3.23Å; E249-V282 PolarHBondContact O-N 2.85Å; E249-K284 VanDerWaalsContact OE2-CD 3.22Å; E249-K284 WeakPolarHBondContact OE2-CD 3.3Å; E249-K284 WeakPolarHBondContact OE2-CE 3.48Å; E249-K284 IonicContact OE2-NZ 2.64Å; E249-K284 PolarHBondContact OE2-NZ 2.97Å; E249-H286 IonicContact OE1-NE2 2.85Å
250	T	50.6	Low	61.7	Low	79 Å²	79	66.1 Å²	66.1	49%	0.485	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	104.1	168	-55.7	0	0	0	0	108.2	Y279	T250-Y279 HydrophobicContact CG2-CD1 4.05Å; T250-Y279 HydrophobicContact CG2-CG 4.48Å
251	V	62.7	Low	62.9	Low	51 Å²	51	71.2 Å²	71.2	31%	0.309	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	120.6	177.1	-175.8	0	0	0	0	108.4	E249 Y279 S280 V282	E249-V251 PolarHBondContact O-N 3.1Å; V251-Y279 WeakPolarHBondContact O-CA 3.49Å; V251-S280 PolarHBondContact N-O 2.85Å; V251-S280 PolarHBondContact O-N 3.4Å; V251-V282 HydrophobicContact CB-CG2 4.15Å; V251-V282 HydrophobicContact CG2-CB 3.84Å; V251-V282 HydrophobicContact CG2-CG2 3.68Å
252	K	67.5	Low	63.9	Low	111 Å²	111	74.5 Å²	74.5	48%	0.483	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	107.2	175	-178.8	-179.4	-180	178.3	0	108.6	Y277 Y279	K252-Y277 HydrophobicContact CD-CD1 3.96Å; K252-Y277 HydrophobicContact CD-CE1 4.3Å; K252-Y277 HydrophobicContact CD-CG 4.07Å; K252-Y277 VanDerWaalsContact CE-CE1 3.47Å; K252-Y277 VanDerWaalsContact CE-CE2 3.4Å; K252-Y277 HydrophobicContact CG-CD1 3.54Å; K252-Y277 HydrophobicContact CG-CE1 4.26Å; K252-Y277 HydrophobicContact CG-CG 3.76Å; K252-Y279 HydrophobicContact CB-CD1 4.03Å; K252-Y279 HydrophobicContact CB-CE1 3.84Å; K252-Y279 HydrophobicContact CD-CE1 3.71Å; K252-Y279 VanDerWaalsContact CE-OH 3.28Å; K252-Y279 WeakPolarHBondContact CE-OH 3.1Å; K252-Y279 HydrophobicContact CG-CD1 4.11Å; K252-Y279 HydrophobicContact CG-CE1 3.53Å
253	E	73.5	Confident	64.9	Low	104 Å²	104	71.7 Å²	71.7	49%	0.486	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.5	-177.5	-166.7	176.1	-159.3	0	0	110.2	Q255 Y277 R278	E253-Q255 PolarHBondContact O-N 2.81Å; E253-Y277 CarbonylContact O-C 3.51Å; E253-Y277 VanDerWaalsContact O-CA 3.31Å; E253-Y277 WeakPolarHBondContact O-CA 3.38Å; E253-R278 PolarHBondContact N-O 3.25Å; E253-R278 PolarHBondContact O-N 3.34Å
254	L	77.9	Confident	65.6	Low	86 Å²	86	75.1 Å²	75.1	45%	0.45	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	113.1	178.1	-177.7	68.3	0	0	0	108.9	G256 P275 Y277	L254-G256 VanDerWaalsContact C-N 3.27Å; L254-P275 HydrophobicContact CD1-CB 3.42Å; L254-P275 VanDerWaalsContact CD1-CB 3.42Å; L254-Y277 HydrophobicContact CB-CD1 3.85Å; L254-Y277 HydrophobicContact CB-CE1 3.73Å; L254-Y277 HydrophobicContact CD1-CD1 3.86Å; L254-Y277 HydrophobicContact CD1-CE1 3.53Å; L254-Y277 HydrophobicContact CD1-CE2 4.28Å; L254-Y277 HydrophobicContact CD1-CG 4.37Å; L254-Y277 HydrophobicContact CG-CD1 4.49Å; L254-Y277 HydrophobicContact CG-CE1 4.18Å
255	Q	79.8	Confident	65.8	Low	83 Å²	83	82.5 Å²	82.5	39%	0.388	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-10.5	177.7	-60.5	-64.2	-73.1	0	0	112.3	E253 F258 F276 R278	E253-Q255 PolarHBondContact O-N 2.81Å; Q255-F258 HydrophobicContact CB-CE2 4.37Å; Q255-F276 HydrophobicContact CB-CD1 4.28Å; Q255-F276 PolarHBondContact N-O 3.04Å; Q255-R278 HydrophobicContact CG-CB 3.46Å; Q255-R278 VanDerWaalsContact CG-CB 3.46Å
256	G	79.3	Confident	66.6	Low	25 Å²	25	84.6 Å²	84.6	26%	0.258	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	137.4	176.7	-179.2	0	0	0	0	0	111.5	L254 F276	L254-G256 VanDerWaalsContact C-N 3.27Å; G256-F276 PolarHBondContact O-N 3.1Å
257	N	83.3	Confident	67.7	Low	93 Å²	93	92 Å²	92	50%	0.497	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	121.2	172.4	-58.7	-40.6	0	0	0	108.7	L273 C274 P275	N257-L273 HydrophobicContact CB-CB 4Å; N257-C274 CarbonylContact C-O 3.59Å; N257-C274 VanDerWaalsContact CA-O 3.25Å; N257-C274 WeakPolarHBondContact CA-O 3.43Å; N257-P275 WeakPolarHBondContact OD1-CA 3.25Å; N257-P275 WeakPolarHBondContact OD1-CB 3.23Å
258	F	80.5	Confident	68.9	Low	111 Å²	111	96.8 Å²	96.8	49%	0.487	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	151.8	-177.6	-64.8	-94.2	0	0	0	110.3	Q255 C260 L273 C274 F276	Q255-F258 HydrophobicContact CB-CE2 4.37Å; F258-C260 PolarHBondContact O-N 3.4Å; F258-C260 VanDerWaalsContact O-N 3.11Å; F258-L273 WeakPolarHBondContact O-CA 3.37Å; F258-C274 PolarHBondContact N-O 3.12Å; F258-C274 PolarHBondContact O-N 2.91Å; F258-F276 HydrophobicContact CD2-CB 3.42Å; F258-F276 VanDerWaalsContact CD2-CB 3.42Å; F258-F276 HydrophobicContact CD2-CG 4.2Å; F258-F276 HydrophobicContact CE2-CB 3.87Å; F258-F276 HydrophobicContact CE2-CD1 4.4Å; F258-F276 HydrophobicContact CE2-CG 4.46Å; F258-F276 HydrophobicContact CG-CB 4.45Å
259	M	78.8	Confident	70.4	Confident	142 Å²	142	98.8 Å²	98.8	70%	0.7	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	117.9	175.1	-84.9	-119.4	-74.4	0	0	109.6	T271 S272 L273	M259-T271 HydrophobicContact SD-CG2 4.38Å; M259-S272 WeakPolarHBondContact CA-O 3.35Å; M259-L273 HydrophobicContact CG-CD2 3.98Å
260	C	78	Confident	71.7	Confident	26 Å²	26	102.9 Å²	102.9	18%	0.176	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	154.8	177.3	66.4	0	0	0	0	108.5	F258 T271 S272 C274	F258-C260 PolarHBondContact O-N 3.4Å; F258-C260 VanDerWaalsContact O-N 3.11Å; C260-T271 WeakPolarHBondContact O-CA 3.1Å; C260-S272 PolarHBondContact N-O 3.28Å; C260-S272 PolarHBondContact O-N 2.8Å; C260-S272 VanDerWaalsContact O-O 3.04Å; C260-S272 PolarHBondContact SG-O 3.35Å; C260-S272 PolarHBondContact SG-OG 3.12Å; C260-S272 VanDerWaalsContact SG-OG 3.33Å; C260-C274 HydrophobicContact CB-CB 3.55Å; C260-C274 WeakPolarHBondContact CB-SG 3.45Å; C260-C274 WeakPolarHBondContact SG-CB 3.34Å; C260-C274 PolarHBondContact SG-N 2.88Å; C260-C274 CovalentContact SG-SG 2Å; C260-C274 PolarHBondContact SG-SG 2.84Å
261	W	76	Confident	73.1	Confident	185 Å²	185	102.1 Å²	102.1	70%	0.701	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.3	172.5	-64	85.6	0	0	0	108.7	P269 T271	W261-P269 HydrophobicContact CE3-CB 4.29Å; W261-T271 HydrophobicContact CD2-CG2 3.64Å; W261-T271 HydrophobicContact CE3-CG2 3.63Å; W261-T271 HydrophobicContact CG-CG2 4.47Å; W261-T271 HydrophobicContact CH2-CG2 3.51Å; W261-T271 HydrophobicContact CZ2-CG2 3.49Å; W261-T271 VanDerWaalsContact CZ2-CG2 3.49Å; W261-T271 HydrophobicContact CZ3-CG2 3.58Å
262	K	72.4	Confident	74.1	Confident	101 Å²	101	101 Å²	101	44%	0.439	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.9	170.4	-82.4	-171.7	-179.1	176.1	0	109.2	P269 Y270 S272	K262-P269 WeakPolarHBondContact O-CA 3.26Å; K262-Y270 HydrophobicContact CB-CE1 4.35Å; K262-Y270 HydrophobicContact CB-CE2 4.45Å; K262-Y270 PolarHBondContact N-O 2.79Å; K262-Y270 WeakPolarHBondContact O-CD1 3.33Å; K262-Y270 PolarHBondContact O-N 2.66Å; K262-S272 WeakPolarHBondContact CD-OG 3.45Å; K262-S272 WeakPolarHBondContact CG-OG 3.39Å
263	G	71.8	Confident	74.7	Confident	58 Å²	58	101.1 Å²	101.1	60%	0.598	54%	0.537	S	S	*	.			trans	-172.6	155.1	177.5	0	0	0	0	0	109.8
264	S	64.6	Low	75	Confident	78 Å²	78	97.7 Å²	97.7	55%	0.545	52%	0.524	S	S	.	.			trans	-124.6	159.9	169.4	61.8	0	0	0	0	108.5	G266 Y267	S264-G266 PolarHBondContact O-N 2.02Å; S264-Y267 PolarHBondContact O-N 3.04Å; S264-Y267 VanDerWaalsContact O-N 3.15Å
265	K	52.8	Low	74.9	Confident	225 Å²	225	96.4 Å²	96.4	98%	0.978	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	118.1	-178.1	-98.6	-176	172.7	-178.5	0	110.1
266	G	65.2	Low	74.6	Confident	79 Å²	79	98.5 Å²	98.5	81%	0.814	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.9	-7.5	178.8	0	0	0	0	0	115.6	S264	S264-G266 PolarHBondContact O-N 2.02Å
267	Y	67.4	Low	74.5	Confident	188 Å²	188	100.9 Å²	100.9	74%	0.737	53%	0.531	S	S	*	.	S	Bend	trans	-123.9	146	175.8	-68.1	-86.8	0	0	0	111.7	S264	S264-Y267 PolarHBondContact O-N 3.04Å; S264-Y267 VanDerWaalsContact O-N 3.15Å
268	S	69.4	Low	73.7	Confident	109 Å²	109	103.5 Å²	103.5	76%	0.762	53%	0.534	S	S	*	.			trans	-62.3	123.7	177.2	-61.8	0	0	0	0	110.3
269	P	75.3	Confident	72.9	Confident	81 Å²	81	104.9 Å²	104.9	53%	0.526	54%	0.537	S	S	.	.			trans	-65.7	137.2	-179.6	25.8	-31.8	0	0	0	110.2	W261 K262	W261-P269 HydrophobicContact CE3-CB 4.29Å; K262-P269 WeakPolarHBondContact O-CA 3.26Å
270	Y	78.7	Confident	71.6	Confident	145 Å²	145	99.6 Å²	99.6	57%	0.569	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	154.5	177.4	65.7	-84.9	0	0	0	110.3	K262	K262-Y270 HydrophobicContact CB-CE1 4.35Å; K262-Y270 HydrophobicContact CB-CE2 4.45Å; K262-Y270 PolarHBondContact N-O 2.79Å; K262-Y270 WeakPolarHBondContact O-CD1 3.33Å; K262-Y270 PolarHBondContact O-N 2.66Å
271	T	79.8	Confident	70.4	Confident	64 Å²	64	104.2 Å²	104.2	39%	0.393	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	137.5	178.9	52	0	0	0	0	110.7	M259 C260 W261	M259-T271 HydrophobicContact SD-CG2 4.38Å; C260-T271 WeakPolarHBondContact O-CA 3.1Å; W261-T271 HydrophobicContact CD2-CG2 3.64Å; W261-T271 HydrophobicContact CE3-CG2 3.63Å; W261-T271 HydrophobicContact CG-CG2 4.47Å; W261-T271 HydrophobicContact CH2-CG2 3.51Å; W261-T271 HydrophobicContact CZ2-CG2 3.49Å; W261-T271 VanDerWaalsContact CZ2-CG2 3.49Å; W261-T271 HydrophobicContact CZ3-CG2 3.58Å
272	S	83.4	Confident	69.4	Low	26 Å²	26	98.5 Å²	98.5	18%	0.182	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	167.4	172.3	71	0	0	0	0	109.7	M259 C260 K262	M259-S272 WeakPolarHBondContact CA-O 3.35Å; C260-S272 PolarHBondContact N-O 3.28Å; C260-S272 PolarHBondContact O-N 2.8Å; C260-S272 VanDerWaalsContact O-O 3.04Å; C260-S272 PolarHBondContact SG-O 3.35Å; C260-S272 PolarHBondContact SG-OG 3.12Å; C260-S272 VanDerWaalsContact SG-OG 3.33Å; K262-S272 WeakPolarHBondContact CD-OG 3.45Å; K262-S272 WeakPolarHBondContact CG-OG 3.39Å
273	L	82.1	Confident	68.4	Low	114 Å²	114	100.3 Å²	100.3	60%	0.597	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	113	172.1	-69	173	0	0	0	109.1	N257 F258 M259	N257-L273 HydrophobicContact CB-CB 4Å; F258-L273 WeakPolarHBondContact O-CA 3.37Å; M259-L273 HydrophobicContact CG-CD2 3.98Å
274	C	78.6	Confident	67.3	Low	32 Å²	32	102.1 Å²	102.1	22%	0.216	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	140.4	174.4	-70.4	0	0	0	0	110.9	N257 F258 C260 F276	N257-C274 CarbonylContact C-O 3.59Å; N257-C274 VanDerWaalsContact CA-O 3.25Å; N257-C274 WeakPolarHBondContact CA-O 3.43Å; F258-C274 PolarHBondContact N-O 3.12Å; F258-C274 PolarHBondContact O-N 2.91Å; C260-C274 HydrophobicContact CB-CB 3.55Å; C260-C274 WeakPolarHBondContact CB-SG 3.45Å; C260-C274 WeakPolarHBondContact SG-CB 3.34Å; C260-C274 PolarHBondContact SG-N 2.88Å; C260-C274 CovalentContact SG-SG 2Å; C260-C274 PolarHBondContact SG-SG 2.84Å; C274-F276 PolarHBondContact O-N 2.77Å
275	P	76.6	Confident	66.6	Low	60 Å²	60	105.6 Å²	105.6	39%	0.39	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	122.2	171.6	27.8	-33.1	0	0	0	110.5	L254 N257 Y277	L254-P275 HydrophobicContact CD1-CB 3.42Å; L254-P275 VanDerWaalsContact CD1-CB 3.42Å; N257-P275 WeakPolarHBondContact OD1-CA 3.25Å; N257-P275 WeakPolarHBondContact OD1-CB 3.23Å; P275-Y277 HydrophobicContact CB-CD2 4.42Å; P275-Y277 HydrophobicContact CB-CE2 3.6Å; P275-Y277 HydrophobicContact CG-CE2 3.88Å
276	F	72.6	Confident	66.5	Low	126 Å²	126	98.3 Å²	98.3	55%	0.553	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.9	175.1	-171.2	-98.5	0	0	0	109.4	Q255 G256 F258 C274	Q255-F276 HydrophobicContact CB-CD1 4.28Å; Q255-F276 PolarHBondContact N-O 3.04Å; G256-F276 PolarHBondContact O-N 3.1Å; F258-F276 HydrophobicContact CD2-CB 3.42Å; F258-F276 VanDerWaalsContact CD2-CB 3.42Å; F258-F276 HydrophobicContact CD2-CG 4.2Å; F258-F276 HydrophobicContact CE2-CB 3.87Å; F258-F276 HydrophobicContact CE2-CD1 4.4Å; F258-F276 HydrophobicContact CE2-CG 4.46Å; F258-F276 HydrophobicContact CG-CB 4.45Å; C274-F276 PolarHBondContact O-N 2.77Å
277	Y	76.6	Confident	65.8	Low	76 Å²	76	102.7 Å²	102.7	30%	0.298	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134	-177	-60.2	-87.2	0	0	0	110.6	K252 E253 L254 P275	K252-Y277 HydrophobicContact CD-CD1 3.96Å; K252-Y277 HydrophobicContact CD-CE1 4.3Å; K252-Y277 HydrophobicContact CD-CG 4.07Å; K252-Y277 VanDerWaalsContact CE-CE1 3.47Å; K252-Y277 VanDerWaalsContact CE-CE2 3.4Å; K252-Y277 HydrophobicContact CG-CD1 3.54Å; K252-Y277 HydrophobicContact CG-CE1 4.26Å; K252-Y277 HydrophobicContact CG-CG 3.76Å; E253-Y277 CarbonylContact O-C 3.51Å; E253-Y277 VanDerWaalsContact O-CA 3.31Å; E253-Y277 WeakPolarHBondContact O-CA 3.38Å; L254-Y277 HydrophobicContact CB-CD1 3.85Å; L254-Y277 HydrophobicContact CB-CE1 3.73Å; L254-Y277 HydrophobicContact CD1-CD1 3.86Å; L254-Y277 HydrophobicContact CD1-CE1 3.53Å; L254-Y277 HydrophobicContact CD1-CE2 4.28Å; L254-Y277 HydrophobicContact CD1-CG 4.37Å; L254-Y277 HydrophobicContact CG-CD1 4.49Å; L254-Y277 HydrophobicContact CG-CE1 4.18Å; P275-Y277 HydrophobicContact CB-CD2 4.42Å; P275-Y277 HydrophobicContact CB-CE2 3.6Å; P275-Y277 HydrophobicContact CG-CE2 3.88Å
278	R	66.4	Low	65	Low	147 Å²	147	96.1 Å²	96.1	56%	0.555	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.4	164.8	-175.3	176	-178.2	176.3	0.1	108	E253 Q255	E253-R278 PolarHBondContact N-O 3.25Å; E253-R278 PolarHBondContact O-N 3.34Å; Q255-R278 HydrophobicContact CG-CB 3.46Å; Q255-R278 VanDerWaalsContact CG-CB 3.46Å
279	Y	63.8	Low	64.1	Low	140 Å²	140	95.2 Å²	95.2	55%	0.549	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	110	176.3	-63.8	-92.2	0	0	0	107.8	T250 V251 K252	T250-Y279 HydrophobicContact CG2-CD1 4.05Å; T250-Y279 HydrophobicContact CG2-CG 4.48Å; V251-Y279 WeakPolarHBondContact O-CA 3.49Å; K252-Y279 HydrophobicContact CB-CD1 4.03Å; K252-Y279 HydrophobicContact CB-CE1 3.84Å; K252-Y279 HydrophobicContact CD-CE1 3.71Å; K252-Y279 VanDerWaalsContact CE-OH 3.28Å; K252-Y279 WeakPolarHBondContact CE-OH 3.1Å; K252-Y279 HydrophobicContact CG-CD1 4.11Å; K252-Y279 HydrophobicContact CG-CE1 3.53Å
280	S	52.2	Low	62.9	Low	32 Å²	32	91.6 Å²	91.6	22%	0.224	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.4	-178.4	-57	0	0	0	0	108.2	V251	V251-S280 PolarHBondContact N-O 2.85Å; V251-S280 PolarHBondContact O-N 3.4Å
281	K	53.5	Low	61.5	Low	123 Å²	123	89.8 Å²	89.8	54%	0.535	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	119.5	172.7	-65.5	-171.7	179.3	-175.4	0	108.8	L248 E249	L248-K281 HydrophobicContact CD1-CB 3.98Å; L248-K281 HydrophobicContact CD2-CD 4.16Å; L248-K281 HydrophobicContact CG-CB 4.38Å; E249-K281 CarbonylContact O-C 3.56Å; E249-K281 WeakPolarHBondContact O-CA 3.38Å
282	V	54.2	Low	60	Low	64 Å²	64	91 Å²	91	39%	0.388	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	134.7	-176.2	-171.4	0	0	0	0	109	E249 V251	E249-V282 PolarHBondContact N-O 3.23Å; E249-V282 PolarHBondContact O-N 2.85Å; V251-V282 HydrophobicContact CB-CG2 4.15Å; V251-V282 HydrophobicContact CG2-CB 3.84Å; V251-V282 HydrophobicContact CG2-CG2 3.68Å
283	Y	50.7	Low	58.3	Low	140 Å²	140	92.3 Å²	92.3	55%	0.549	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	118.2	173	-68.3	-84.5	0	0	0	109.7	T247 L248	T247-Y283 CarbonylContact O-C 3.58Å; T247-Y283 WeakPolarHBondContact O-CA 3.09Å; L248-Y283 HydrophobicContact CB-CD1 4.29Å; L248-Y283 HydrophobicContact CB-CE1 4.14Å; L248-Y283 HydrophobicContact CD1-CD1 3.86Å; L248-Y283 HydrophobicContact CD1-CD2 4.01Å; L248-Y283 HydrophobicContact CD1-CE1 3.65Å; L248-Y283 HydrophobicContact CD1-CE2 3.8Å; L248-Y283 HydrophobicContact CD1-CG 4.04Å; L248-Y283 HydrophobicContact CG-CE1 4.38Å
284	K	49	Very low	56.7	Low	96 Å²	96	88.9 Å²	88.9	42%	0.417	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	145.5	172	-75.7	-158.6	-168.3	147.7	0	111.4	K246 T247 E249	K246-K284 CarbonylContact C-O 3.52Å; K246-K284 VanDerWaalsContact CA-O 3.25Å; K246-K284 WeakPolarHBondContact CA-O 3.32Å; T247-K284 PolarHBondContact N-O 3.49Å; T247-K284 PolarHBondContact O-N 2.89Å; T247-K284 PolarHBondContact OG1-O 3.38Å; E249-K284 VanDerWaalsContact OE2-CD 3.22Å; E249-K284 WeakPolarHBondContact OE2-CD 3.3Å; E249-K284 WeakPolarHBondContact OE2-CE 3.48Å; E249-K284 IonicContact OE2-NZ 2.64Å; E249-K284 PolarHBondContact OE2-NZ 2.97Å
285	R	51.1	Low	55.4	Low	151 Å²	151	88.7 Å²	88.7	57%	0.57	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	134	179.1	-60.7	-176.5	-169.7	-163.8	3.5	110.1	E244 R245 K246	E244-R285 IonicContact OE2-NH1 2.67Å; R245-R285 CarbonylContact O-C 3.48Å; R245-R285 VanDerWaalsContact O-CA 3.27Å; R245-R285 WeakPolarHBondContact O-CA 3.47Å; K246-R285 VanDerWaalsContact CE-NE 3.31Å; K246-R285 HydrophobicContact CG-CG 3.73Å
286	H	50.2	Low	54.5	Low	72 Å²	72	89.9 Å²	89.9	33%	0.333	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.1	176.5	-59.6	-91.5	0	0	0	109.4	E244 R245 T247 E249	E244-H286 CarbonylContact C-O 3.53Å; R245-H286 HydrophobicContact CB-CB 4.4Å; R245-H286 PolarHBondContact N-O 2.9Å; R245-H286 PolarHBondContact O-N 3.49Å; T247-H286 PolarHBondContact OG1-NE2 3.37Å; E249-H286 IonicContact OE1-NE2 2.85Å
287	Q	50.7	Low	53.9	Low	170 Å²	170	86.8 Å²	86.8	79%	0.794	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	137	171.6	-67.5	-161.1	-21.2	0	0	110.7
288	T	51.2	Low	53.3	Low	50 Å²	50	84.2 Å²	84.2	31%	0.307	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	177.1	177	-163.9	0	0	0	0	110.6	C243 R245	C243-T288 PolarHBondContact N-O 3.33Å; C243-T288 CarbonylContact O-C 2.74Å; C243-T288 PolarHBondContact O-N 2.99Å; C243-T288 WeakPolarHBondContact SG-CG2 3.47Å; R245-T288 HydrophobicContact CB-CG2 4.06Å
289	V	49.4	Very low	53.5	Low	90 Å²	90	78.2 Å²	78.2	55%	0.545	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.5	-179.2	-177.5	0	0	0	0	108.1
290	C	50.8	Low	53.6	Low	5 Å²	5	77.2 Å²	77.2	3%	0.034	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	155.7	175.4	-70.3	0	0	0	0	109.7	I27 S240 F241 C243	I27-C290 WeakPolarHBondContact CD1-SG 3.32Å; I27-C290 WeakPolarHBondContact CG2-SG 3.39Å; S240-C290 CarbonylContact C-O 3.48Å; S240-C290 WeakPolarHBondContact CA-O 3.32Å; F241-C290 HydrophobicContact CD1-CB 4.11Å; F241-C290 WeakPolarHBondContact CD1-O 3.4Å; F241-C290 HydrophobicContact CD2-CB 4.23Å; F241-C290 HydrophobicContact CE1-CB 3.54Å; F241-C290 HydrophobicContact CE2-CB 3.69Å; F241-C290 HydrophobicContact CG-CB 4.43Å; F241-C290 HydrophobicContact CZ-CB 3.33Å; F241-C290 PolarHBondContact N-O 2.78Å; F241-C290 PolarHBondContact O-N 3.43Å; C243-C290 HydrophobicContact CB-CB 3.85Å; C243-C290 WeakPolarHBondContact CB-SG 3.37Å; C243-C290 WeakPolarHBondContact SG-CB 3.27Å; C243-C290 PolarHBondContact SG-N 2.9Å; C243-C290 CovalentContact SG-SG 2.02Å; C243-C290 PolarHBondContact SG-SG 3.1Å
291	H	48.9	Very low	54.3	Low	108 Å²	108	80.1 Å²	80.1	50%	0.5	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.8	175.2	-65.4	-87.8	0	0	0	110	E239	E239-H291 WeakPolarHBondContact O-CA 3.43Å
292	R	48.3	Very low	55.2	Low	88 Å²	88	82 Å²	82	33%	0.332	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.5	171.6	64.2	-178	-172.6	172.8	4.9	109.7	A238 E239 F241 V294	A238-R292 CarbonylContact C-O 3.55Å; A238-R292 WeakPolarHBondContact CA-O 3.29Å; E239-R292 HydrophobicContact CB-CG 4.29Å; E239-R292 PolarHBondContact N-O 3.49Å; E239-R292 PolarHBondContact O-N 3.08Å; E239-R292 IonicContact OE2-CZ 2.71Å; E239-R292 IonicContact OE2-NE 3.79Å; E239-R292 PolarHBondContact OE2-NE 3.25Å; E239-R292 IonicContact OE2-NH2 3.54Å; E239-R292 PolarHBondContact OE2-NH2 2.99Å; F241-R292 HydrophobicContact CD1-CB 4.03Å; F241-R292 HydrophobicContact CD1-CG 3.69Å; F241-R292 HydrophobicContact CE1-CB 3.61Å; F241-R292 HydrophobicContact CE1-CG 3.81Å; R292-V294 HydrophobicContact CG-CG2 3.79Å; R292-V294 VanDerWaalsContact NE-CG2 3.29Å
293	T	47.4	Very low	56.1	Low	54 Å²	54	79.8 Å²	79.8	33%	0.331	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	115.6	167.5	-56.7	0	0	0	0	107.7	T232 C236 Q237	T232-T293 HydrophobicContact CG2-CG2 3.96Å; C236-T293 HydrophobicContact CB-CG2 3.63Å; Q237-T293 CarbonylContact O-C 3.59Å
294	V	49.6	Very low	57.3	Low	43 Å²	43	74 Å²	74	26%	0.261	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	111.1	172.7	-175.2	0	0	0	0	107.6	C236 Q237 E239 R292	C236-V294 CarbonylContact C-O 3.59Å; C236-V294 WeakPolarHBondContact CA-O 3.08Å; Q237-V294 PolarHBondContact N-O 3.11Å; Q237-V294 PolarHBondContact O-N 2.85Å; E239-V294 HydrophobicContact CB-CG2 4.12Å; E239-V294 HydrophobicContact CG-CB 4.35Å; E239-V294 HydrophobicContact CG-CG2 3.9Å; E239-V294 VanDerWaalsContact OE2-CG2 3.27Å; E239-V294 WeakPolarHBondContact OE2-CG2 3.1Å; R292-V294 HydrophobicContact CG-CG2 3.79Å; R292-V294 VanDerWaalsContact NE-CG2 3.29Å
295	C	51.2	Low	58.4	Low	27 Å²	27	73.9 Å²	73.9	18%	0.182	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	140.7	166.1	-57.8	0	0	0	0	107.4	C236 D297 L315	C236-C295 HydrophobicContact CB-CB 3.96Å; C236-C295 WeakPolarHBondContact CB-SG 3.18Å; C236-C295 WeakPolarHBondContact SG-CB 3.3Å; C236-C295 CovalentContact SG-SG 2.03Å; C236-C295 PolarHBondContact SG-SG 3.25Å; C295-D297 PolarHBondContact O-N 3.31Å; C295-L315 HydrophobicContact CB-CD2 3.65Å; C295-L315 WeakPolarHBondContact SG-CD2 3.37Å
296	S	57.1	Low	59.1	Low	86 Å²	86	70.7 Å²	70.7	60%	0.601	38%	0.383	S	S	*	.			trans	-57.8	111.2	168.9	-44.2	0	0	0	0	107.8	P298	S296-P298 WeakPolarHBondContact O-CD 3.24Å
297	D	60	Low	59.8	Low	60 Å²	60	70.3 Å²	70.3	32%	0.321	40%	0.399	S	S	.	.			trans	-74.3	122.7	172.5	-169	-27.6	0	0	0	106.3	C295 C299 D300 S312	C295-D297 PolarHBondContact O-N 3.31Å; D297-C299 PolarHBondContact O-N 2.73Å; D297-C299 WeakPolarHBondContact OD1-CB 3.41Å; D297-C299 PolarHBondContact OD1-N 3.29Å; D297-D300 HydrophobicContact CB-CB 4.49Å; D297-D300 WeakPolarHBondContact CB-OD2 3.49Å; D297-D300 PolarHBondContact N-OD2 3.44Å; D297-D300 WeakPolarHBondContact O-CB 3.39Å; D297-D300 PolarHBondContact O-N 3.13Å; D297-S312 WeakPolarHBondContact OD1-CB 3.41Å; D297-S312 PolarHBondContact OD1-OG 3.12Å
298	P	63.7	Low	60.8	Low	23 Å²	23	63 Å²	63	15%	0.149	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-52.6	-25.3	174	18.9	-31.3	0	0	0	112.6	S296 S301 P303 R317 Y318	S296-P298 WeakPolarHBondContact O-CD 3.24Å; P298-S301 PolarHBondContact O-OG 2.95Å; P298-P303 WeakPolarHBondContact O-CD 3.48Å; P298-P303 WeakPolarHBondContact O-CG 3.4Å; P298-R317 WeakPolarHBondContact CG-O 3.35Å; P298-Y318 HydrophobicContact CB-CD1 3.68Å; P298-Y318 HydrophobicContact CB-CG 4.21Å; P298-Y318 HydrophobicContact CG-CD1 4.46Å
299	C	70.1	Confident	62.1	Low	20 Å²	20	64.9 Å²	64.9	14%	0.135	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-75.7	-16.5	175.1	-68.4	0	0	0	0	115.7	D297 S301 Q302 C310 S312	D297-C299 PolarHBondContact O-N 2.73Å; D297-C299 WeakPolarHBondContact OD1-CB 3.41Å; D297-C299 PolarHBondContact OD1-N 3.29Å; C299-S301 PolarHBondContact O-N 3.37Å; C299-Q302 PolarHBondContact O-N 3.23Å; C299-C310 WeakPolarHBondContact CA-SG 3.49Å; C299-C310 HydrophobicContact CB-CB 3.64Å; C299-C310 WeakPolarHBondContact CB-SG 3.23Å; C299-C310 WeakPolarHBondContact SG-CB 3.13Å; C299-C310 CovalentContact SG-SG 2.04Å; C299-C310 PolarHBondContact SG-SG 3.45Å; C299-S312 PolarHBondContact SG-N 2.84Å
300	D	67.2	Low	63.4	Low	119 Å²	119	62.3 Å²	62.3	64%	0.636	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-65.2	-28.1	179.2	-72.4	-29.8	0	0	0	112.1	D297 Q302	D297-D300 HydrophobicContact CB-CB 4.49Å; D297-D300 WeakPolarHBondContact CB-OD2 3.49Å; D297-D300 PolarHBondContact N-OD2 3.44Å; D297-D300 WeakPolarHBondContact O-CB 3.39Å; D297-D300 PolarHBondContact O-N 3.13Å; D300-Q302 PolarHBondContact O-N 2.8Å
301	S	66.4	Low	64.6	Low	93 Å²	93	64.9 Å²	64.9	65%	0.65	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-72.9	-2.3	174.2	67.4	0	0	0	0	113.9	P298 C299	P298-S301 PolarHBondContact O-OG 2.95Å; C299-S301 PolarHBondContact O-N 3.37Å
302	Q	71.6	Confident	65.6	Low	163 Å²	163	62.1 Å²	62.1	76%	0.762	38%	0.375	S	S	*	.			trans	48.8	57.1	-172.1	-59.2	179.9	16.7	0	0	112.3	C299 D300 C304	C299-Q302 PolarHBondContact O-N 3.23Å; D300-Q302 PolarHBondContact O-N 2.8Å; Q302-C304 PolarHBondContact O-N 2.82Å
303	P	72.9	Confident	66.5	Low	18 Å²	18	63.4 Å²	63.4	12%	0.117	38%	0.384	C	S	.	.			trans	-70.5	-19.2	-172.9	30.7	-36.4	0	0	0	113	P298 Y318 H331	P298-P303 WeakPolarHBondContact O-CD 3.48Å; P298-P303 WeakPolarHBondContact O-CG 3.4Å; P303-Y318 HydrophobicContact CB-CD2 4.27Å; P303-Y318 HydrophobicContact CB-CE1 4.31Å; P303-Y318 HydrophobicContact CB-CE2 3.62Å; P303-Y318 HydrophobicContact CG-CD1 4.42Å; P303-Y318 HydrophobicContact CG-CD2 3.65Å; P303-Y318 HydrophobicContact CG-CE1 4.29Å; P303-Y318 HydrophobicContact CG-CE2 3.53Å; P303-Y318 HydrophobicContact CG-CG 4.1Å; P303-H331 PolarHBondContact O-CD2 3.38Å
304	C	76.1	Confident	66.9	Low	18 Å²	18	62.9 Å²	62.9	12%	0.122	39%	0.39	C	S	.	.			trans	-83.4	124.1	-179.4	-53.1	0	0	0	0	111.7	Q302 G308 C310 C320	Q302-C304 PolarHBondContact O-N 2.82Å; C304-G308 WeakPolarHBondContact CB-O 3.36Å; C304-C310 HydrophobicContact CB-CB 4.34Å; C304-C310 WeakPolarHBondContact SG-CA 3.32Å; C304-C310 WeakPolarHBondContact SG-CB 3.11Å; C304-C310 VanDerWaalsContact SG-SG 3.68Å; C304-C320 WeakPolarHBondContact CA-SG 3.42Å; C304-C320 HydrophobicContact CB-CB 3.74Å; C304-C320 WeakPolarHBondContact CB-SG 3.38Å; C304-C320 WeakPolarHBondContact SG-CA 3.1Å; C304-C320 WeakPolarHBondContact SG-CB 3.4Å; C304-C320 CovalentContact SG-SG 2.02Å; C304-C320 PolarHBondContact SG-SG 2.96Å
305	L	71.6	Confident	66.9	Low	94 Å²	94	64.1 Å²	64.1	49%	0.492	40%	0.395	S	S	.	.			trans	-90.9	165.6	-177.7	-56.7	176	0	0	0	111.5	G307 G308 H331 C332	L305-G307 VanDerWaalsContact C-N 3.34Å; L305-G307 PolarHBondContact O-N 2.68Å; L305-G308 PolarHBondContact O-N 3.23Å; L305-H331 WeakPolarHBondContact CB-O 3.3Å; L305-H331 PolarHBondContact N-O 3.42Å; L305-C332 WeakPolarHBondContact O-CB 3.05Å
306	N	67.2	Low	67	Low	83 Å²	83	71 Å²	71	44%	0.444	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	35.7	169.3	-51.8	-57.1	0	0	0	115.8	G308 Y326 C332	N306-G308 VanDerWaalsContact C-N 3.28Å; N306-G308 PolarHBondContact O-N 2.91Å; N306-Y326 HydrophobicContact CB-CD1 3.63Å; N306-Y326 HydrophobicContact CB-CE1 3.56Å; N306-Y326 HydrophobicContact CB-CG 4.21Å; N306-C332 PolarHBondContact ND2-O 3.43Å
307	G	63.8	Low	67.1	Low	65 Å²	65	75.7 Å²	75.7	67%	0.67	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	14.6	-178.2	0	0	0	0	0	113.9	L305	L305-G307 VanDerWaalsContact C-N 3.34Å; L305-G307 PolarHBondContact O-N 2.68Å
308	G	72.4	Confident	67.8	Low	15 Å²	15	76 Å²	76	16%	0.155	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-58	134.1	167.3	0	0	0	0	0	112	C304 L305 N306 V321	C304-G308 WeakPolarHBondContact CB-O 3.36Å; L305-G308 PolarHBondContact O-N 3.23Å; N306-G308 VanDerWaalsContact C-N 3.28Å; N306-G308 PolarHBondContact O-N 2.91Å; G308-V321 WeakPolarHBondContact CA-O 3.41Å
309	T	78.2	Confident	68.6	Low	91 Å²	91	79.7 Å²	79.7	56%	0.558	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	116.8	174.8	-56.7	0	0	0	0	109	V321	T309-V321 PolarHBondContact N-O 3.23Å; T309-V321 PolarHBondContact O-N 3.49Å
310	C	76.1	Confident	69	Low	35 Å²	35	79.3 Å²	79.3	24%	0.236	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	127	176.3	-165.9	0	0	0	0	110.7	C299 C304	C299-C310 WeakPolarHBondContact CA-SG 3.49Å; C299-C310 HydrophobicContact CB-CB 3.64Å; C299-C310 WeakPolarHBondContact CB-SG 3.23Å; C299-C310 WeakPolarHBondContact SG-CB 3.13Å; C299-C310 CovalentContact SG-SG 2.04Å; C299-C310 PolarHBondContact SG-SG 3.45Å; C304-C310 HydrophobicContact CB-CB 4.34Å; C304-C310 WeakPolarHBondContact SG-CA 3.32Å; C304-C310 WeakPolarHBondContact SG-CB 3.11Å; C304-C310 VanDerWaalsContact SG-SG 3.68Å
311	V	77.4	Confident	69.7	Low	60 Å²	60	77.3 Å²	77.3	36%	0.364	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	111.8	175.9	-176.4	0	0	0	0	108.1	Q313 Y318 Q319 V321	V311-Q313 PolarHBondContact O-N 3.28Å; V311-Y318 WeakPolarHBondContact O-CA 3.49Å; V311-Q319 PolarHBondContact N-O 3.37Å; V311-Q319 PolarHBondContact O-N 2.06Å; V311-V321 HydrophobicContact CG2-CG2 3.67Å
312	S	68.3	Low	69.8	Low	50 Å²	50	74.7 Å²	74.7	35%	0.35	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	128.5	178.2	-157.8	0	0	0	0	110.4	D297 C299	D297-S312 WeakPolarHBondContact OD1-CB 3.41Å; D297-S312 PolarHBondContact OD1-OG 3.12Å; C299-S312 PolarHBondContact SG-N 2.84Å
313	Q	67.6	Low	69.1	Low	115 Å²	115	69 Å²	69	54%	0.537	39%	0.389	S	S	.	.			trans	-115	23.7	178.7	-70	-161.9	-14.4	0	0	112.2	V311 R317 Q319	V311-Q313 PolarHBondContact O-N 3.28Å; Q313-R317 CarbonylContact C-O 3.44Å; Q313-R317 WeakPolarHBondContact CA-O 3.43Å; Q313-R317 HydrophobicContact CB-CB 4.21Å; Q313-R317 PolarHBondContact N-O 3.36Å; Q313-Q319 HydrophobicContact CG-CB 4.17Å
314	G	55.3	Low	68.1	Low	43 Å²	43	74.6 Å²	74.6	44%	0.443	43%	0.425	S	S	.	.	S	Bend	trans	134.2	-169.9	177.8	0	0	0	0	0	112.8	E316 R317	G314-E316 VanDerWaalsContact C-N 3.27Å; G314-E316 PolarHBondContact O-N 2.96Å; G314-R317 PolarHBondContact N-O 3.44Å
315	L	51.1	Low	66.9	Low	69 Å²	69	75.6 Å²	75.6	36%	0.361	44%	0.438	S	S	.	.	S	Bend	trans	-64.3	-24.1	-172.1	-64.9	173.5	0	0	0	114.9	M43 P233 C236 C295	M43-L315 HydrophobicContact CE-CD2 3.75Å; P233-L315 HydrophobicContact CB-CD1 3.54Å; P233-L315 HydrophobicContact CG-CD1 4.41Å; C236-L315 WeakPolarHBondContact SG-CD2 3.35Å; C295-L315 HydrophobicContact CB-CD2 3.65Å; C295-L315 WeakPolarHBondContact SG-CD2 3.37Å
316	E	53	Low	66.2	Low	172 Å²	172	74 Å²	74	80%	0.804	43%	0.426	S	S	*	.	S	Bend	trans	-135.9	3.5	-178.3	-62.9	-168.5	163.8	0	0	113.2	G314	G314-E316 VanDerWaalsContact C-N 3.27Å; G314-E316 PolarHBondContact O-N 2.96Å
317	R	58.1	Low	65.8	Low	184 Å²	184	72 Å²	72	69%	0.694	43%	0.426	S	S	*	.			trans	-121.4	134.9	-173.5	-66	-175.7	-174.2	177.1	1.8	109.7	P298 Q313 G314	P298-R317 WeakPolarHBondContact CG-O 3.35Å; Q313-R317 CarbonylContact C-O 3.44Å; Q313-R317 WeakPolarHBondContact CA-O 3.43Å; Q313-R317 HydrophobicContact CB-CB 4.21Å; Q313-R317 PolarHBondContact N-O 3.36Å; G314-R317 PolarHBondContact N-O 3.44Å
318	Y	75.6	Confident	65.3	Low	66 Å²	66	72.7 Å²	72.7	26%	0.259	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	157.4	171.7	65.4	-80.4	0	0	0	108.7	P298 P303 V311 H331	P298-Y318 HydrophobicContact CB-CD1 3.68Å; P298-Y318 HydrophobicContact CB-CG 4.21Å; P298-Y318 HydrophobicContact CG-CD1 4.46Å; P303-Y318 HydrophobicContact CB-CD2 4.27Å; P303-Y318 HydrophobicContact CB-CE1 4.31Å; P303-Y318 HydrophobicContact CB-CE2 3.62Å; P303-Y318 HydrophobicContact CG-CD1 4.42Å; P303-Y318 HydrophobicContact CG-CD2 3.65Å; P303-Y318 HydrophobicContact CG-CE1 4.29Å; P303-Y318 HydrophobicContact CG-CE2 3.53Å; P303-Y318 HydrophobicContact CG-CG 4.1Å; V311-Y318 WeakPolarHBondContact O-CA 3.49Å; Y318-H331 PolarHBondContact OH-CD2 2.94Å; Y318-H331 PolarHBondContact OH-NE2 3.46Å
319	Q	81.6	Confident	64.6	Low	100 Å²	100	75.4 Å²	75.4	47%	0.467	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.6	172.3	-176.6	179.7	19.6	0	0	107.9	V311 Q313	V311-Q319 PolarHBondContact N-O 3.37Å; V311-Q319 PolarHBondContact O-N 2.06Å; Q313-Q319 HydrophobicContact CG-CB 4.17Å
320	C	78.1	Confident	64	Low	13 Å²	13	75.4 Å²	75.4	9%	0.088	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.4	170.9	-60.4	0	0	0	0	110.4	C304 P330 C332	C304-C320 WeakPolarHBondContact CA-SG 3.42Å; C304-C320 HydrophobicContact CB-CB 3.74Å; C304-C320 WeakPolarHBondContact CB-SG 3.38Å; C304-C320 WeakPolarHBondContact SG-CA 3.1Å; C304-C320 WeakPolarHBondContact SG-CB 3.4Å; C304-C320 CovalentContact SG-SG 2.02Å; C304-C320 PolarHBondContact SG-SG 2.96Å; C320-P330 VanDerWaalsContact CB-O 3.25Å; C320-P330 WeakPolarHBondContact CB-O 3.49Å; C320-P330 PolarHBondContact SG-O 3.01Å; C320-C332 WeakPolarHBondContact CB-SG 3.4Å
321	V	80.4	Confident	63.9	Low	76 Å²	76	76.9 Å²	76.9	46%	0.461	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	109.7	168.1	179.1	0	0	0	0	107.5	G308 T309 V311	G308-V321 WeakPolarHBondContact CA-O 3.41Å; T309-V321 PolarHBondContact N-O 3.23Å; T309-V321 PolarHBondContact O-N 3.49Å; V311-V321 HydrophobicContact CG2-CG2 3.67Å
322	C	69.4	Low	63.4	Low	39 Å²	39	74 Å²	74	26%	0.264	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-91.7	140.9	-171.2	-52	0	0	0	0	112.1	Y326 C332	C322-Y326 WeakPolarHBondContact CB-O 3.47Å; C322-C332 WeakPolarHBondContact CA-SG 3.37Å; C322-C332 HydrophobicContact CB-CB 3.76Å; C322-C332 WeakPolarHBondContact CB-SG 3.45Å; C322-C332 WeakPolarHBondContact SG-CA 3.31Å; C322-C332 WeakPolarHBondContact SG-CB 3.42Å; C322-C332 CovalentContact SG-SG 2.03Å; C322-C332 PolarHBondContact SG-SG 3.37Å
323	P	57.3	Low	63	Low	43 Å²	43	72.9 Å²	72.9	28%	0.279	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-60.6	156.3	167	-20	31.5	0	0	0	111.2	G325 Y326	P323-G325 PolarHBondContact O-N 2.91Å; P323-Y326 HydrophobicContact CB-CD2 4.47Å; P323-Y326 PolarHBondContact O-N 2.88Å
324	P	50.4	Low	62.3	Low	135 Å²	135	69.7 Å²	69.7	88%	0.877	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	126.7	176	-25.1	33.7	0	0	0	112.1
325	G	51.1	Low	62.1	Low	39 Å²	39	69.6 Å²	69.6	40%	0.402	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.2	-2	-177.7	0	0	0	0	0	116	P323 A335	P323-G325 PolarHBondContact O-N 2.91Å; G325-A335 PolarHBondContact O-N 2.79Å
326	Y	57	Low	62.5	Low	61 Å²	61	66.7 Å²	66.7	24%	0.239	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-129.4	147.9	178.1	-58.3	-93.1	0	0	0	110.1	N306 C322 P323 P334 P514	N306-Y326 HydrophobicContact CB-CD1 3.63Å; N306-Y326 HydrophobicContact CB-CE1 3.56Å; N306-Y326 HydrophobicContact CB-CG 4.21Å; C322-Y326 WeakPolarHBondContact CB-O 3.47Å; P323-Y326 HydrophobicContact CB-CD2 4.47Å; P323-Y326 PolarHBondContact O-N 2.88Å; Y326-P334 HydrophobicContact CD1-CB 3.98Å; Y326-P334 HydrophobicContact CD1-CG 4.03Å; Y326-P334 HydrophobicContact CE1-CB 4.02Å; Y326-P334 HydrophobicContact CE1-CG 3.93Å; Y326-P514 WeakPolarHBondContact OH-CG 3.32Å
327	G	59.2	Low	63.1	Low	42 Å²	42	60.4 Å²	60.4	43%	0.433	36%	0.356	S	S	.	.			trans	136.4	18.8	177.7	0	0	0	0	0	116.1	D329 A333	G327-D329 PolarHBondContact O-N 2.82Å; G327-A333 PolarHBondContact N-O 2.91Å
328	S	54.6	Low	63.6	Low	79 Å²	79	51.7 Å²	51.7	55%	0.552	32%	0.323	S	S	*	.	S	Bend	trans	-72	-15.9	175.9	46.6	0	0	0	0	112.1	A333 P334 A335	S328-A333 PolarHBondContact N-O 3.01Å; S328-A333 PolarHBondContact OG-O 3.31Å; S328-P334 VanDerWaalsContact OG-C 3.27Å; S328-P334 PolarHBondContact OG-O 3.34Å; S328-A335 PolarHBondContact OG-N 2.84Å
329	D	57.7	Low	63.1	Low	71 Å²	71	54.2 Å²	54.2	38%	0.38	34%	0.341	S	S	.	.	S	Bend	trans	-137	153.6	179.4	178.6	85.3	0	0	0	109.3	G327 H331 C332 A333	G327-D329 PolarHBondContact O-N 2.82Å; D329-H331 PolarHBondContact O-N 3.06Å; D329-H331 IonicContact OD2-CE1 3.93Å; D329-H331 IonicContact OD2-CG 3.93Å; D329-H331 PolarHBondContact OD2-N 3.48Å; D329-H331 VanDerWaalsContact OD2-N 3.09Å; D329-H331 IonicContact OD2-ND1 3.79Å; D329-H331 PolarHBondContact OD2-ND1 2.81Å; D329-C332 PolarHBondContact O-N 3.01Å; D329-C332 VanDerWaalsContact O-N 3.12Å; D329-A333 HydrophobicContact CB-CB 3.7Å
330	P	65.3	Low	62.6	Low	91 Å²	91	50.2 Å²	50.2	59%	0.591	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-15.3	-178.8	-28.2	36.8	0	0	0	116.1	C320	C320-P330 VanDerWaalsContact CB-O 3.25Å; C320-P330 WeakPolarHBondContact CB-O 3.49Å; C320-P330 PolarHBondContact SG-O 3.01Å
331	H	74.1	Confident	62.5	Low	67 Å²	67	52.4 Å²	52.4	31%	0.31	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	14.8	-178.5	-53.2	79.1	0	0	0	114.5	P303 L305 Y318 D329	P303-H331 PolarHBondContact O-CD2 3.38Å; L305-H331 WeakPolarHBondContact CB-O 3.3Å; L305-H331 PolarHBondContact N-O 3.42Å; Y318-H331 PolarHBondContact OH-CD2 2.94Å; Y318-H331 PolarHBondContact OH-NE2 3.46Å; D329-H331 PolarHBondContact O-N 3.06Å; D329-H331 IonicContact OD2-CE1 3.93Å; D329-H331 IonicContact OD2-CG 3.93Å; D329-H331 PolarHBondContact OD2-N 3.48Å; D329-H331 VanDerWaalsContact OD2-N 3.09Å; D329-H331 IonicContact OD2-ND1 3.79Å; D329-H331 PolarHBondContact OD2-ND1 2.81Å
332	C	67.3	Low	62.6	Low	0 Å²	0	49 Å²	49	0%	0	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	41.2	-172.9	-55	0	0	0	0	113.9	L305 N306 C320 C322 D329	L305-C332 WeakPolarHBondContact O-CB 3.05Å; N306-C332 PolarHBondContact ND2-O 3.43Å; C320-C332 WeakPolarHBondContact CB-SG 3.4Å; C322-C332 WeakPolarHBondContact CA-SG 3.37Å; C322-C332 HydrophobicContact CB-CB 3.76Å; C322-C332 WeakPolarHBondContact CB-SG 3.45Å; C322-C332 WeakPolarHBondContact SG-CA 3.31Å; C322-C332 WeakPolarHBondContact SG-CB 3.42Å; C322-C332 CovalentContact SG-SG 2.03Å; C322-C332 PolarHBondContact SG-SG 3.37Å; D329-C332 PolarHBondContact O-N 3.01Å; D329-C332 VanDerWaalsContact O-N 3.12Å
333	A	59.5	Low	63.5	Low	26 Å²	26	48.2 Å²	48.2	22%	0.215	31%	0.312	C	S	.	.			trans	-62.8	150.8	163.3	0	0	0	0	0	110.2	G327 S328 D329 A335	G327-A333 PolarHBondContact N-O 2.91Å; S328-A333 PolarHBondContact N-O 3.01Å; S328-A333 PolarHBondContact OG-O 3.31Å; D329-A333 HydrophobicContact CB-CB 3.7Å; A333-A335 PolarHBondContact O-N 3.25Å; A333-A335 VanDerWaalsContact O-N 3.15Å
334	P	52.8	Low	65.2	Low	47 Å²	47	46.2 Å²	46.2	31%	0.305	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-60.9	119.6	-178.5	-15.7	26.9	0	0	0	111.3	Y326 S328 L336 T372	Y326-P334 HydrophobicContact CD1-CB 3.98Å; Y326-P334 HydrophobicContact CD1-CG 4.03Å; Y326-P334 HydrophobicContact CE1-CB 4.02Å; Y326-P334 HydrophobicContact CE1-CG 3.93Å; S328-P334 VanDerWaalsContact OG-C 3.27Å; S328-P334 PolarHBondContact OG-O 3.34Å; P334-L336 VanDerWaalsContact C-N 3.33Å; P334-L336 HydrophobicContact CB-CD1 3.61Å; P334-L336 HydrophobicContact CB-CG 3.66Å; P334-L336 PolarHBondContact O-N 3.28Å; P334-T372 HydrophobicContact CB-CG2 4.26Å
335	A	51.1	Low	67.3	Low	41 Å²	41	39.8 Å²	39.8	34%	0.339	26%	0.257	S	S	.	.			trans	-91.4	74.4	167.6	0	0	0	0	0	107.8	G325 S328 A333	G325-A335 PolarHBondContact O-N 2.79Å; S328-A335 PolarHBondContact OG-N 2.84Å; A333-A335 PolarHBondContact O-N 3.25Å; A333-A335 VanDerWaalsContact O-N 3.15Å
336	L	59.7	Low	69.6	Low	9 Å²	9	38 Å²	38	5%	0.047	24%	0.238	C	C	.	.			trans	-102.6	32.6	-172.4	-64.4	175.2	0	0	0	113.1	P334 L338 T372 V373 I513 P514 K517	P334-L336 VanDerWaalsContact C-N 3.33Å; P334-L336 HydrophobicContact CB-CD1 3.61Å; P334-L336 HydrophobicContact CB-CG 3.66Å; P334-L336 PolarHBondContact O-N 3.28Å; L336-L338 PolarHBondContact O-N 2.95Å; L336-T372 HydrophobicContact CB-CG2 4.25Å; L336-T372 HydrophobicContact CD1-CG2 3.95Å; L336-V373 HydrophobicContact CB-CG2 4.02Å; L336-V373 WeakPolarHBondContact O-CA 3.39Å; L336-V373 WeakPolarHBondContact O-CG1 3.09Å; L336-I513 HydrophobicContact CD1-CG2 3.88Å; L336-P514 HydrophobicContact CD1-CG 4.23Å; L336-K517 HydrophobicContact CB-CD 4.06Å; L336-K517 HydrophobicContact CD2-CD 3.64Å; L336-K517 HydrophobicContact CG-CD 4.41Å
337	S	63.8	Low	71.5	Confident	40 Å²	40	35 Å²	35	28%	0.28	23%	0.227	S	C	.	.			trans	-51.3	129	170.2	-178.6	0	0	0	0	110.7	D339 S375 K517	S337-D339 WeakPolarHBondContact CB-OD1 3.39Å; S337-D339 PolarHBondContact O-N 3.07Å; S337-D339 VanDerWaalsContact O-N 3.15Å; S337-D339 PolarHBondContact OG-OD1 3.06Å; S337-S375 PolarHBondContact OG-OG 3.35Å; S337-K517 WeakPolarHBondContact O-CE 3.27Å; S337-K517 PolarHBondContact O-NZ 2.89Å
338	L	68.6	Low	73.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	21%	0.206	C	C	.	.			trans	-78.6	91	174.9	-158.5	75.2	0	0	0	108	L336 C340 I342 V373 I374 S378 S380 K517 I520 C521	L336-L338 PolarHBondContact O-N 2.95Å; L338-C340 VanDerWaalsContact C-N 3.26Å; L338-C340 PolarHBondContact O-N 2.69Å; L338-I342 HydrophobicContact CD2-CD1 4.31Å; L338-V373 HydrophobicContact CB-CG1 3.7Å; L338-V373 WeakPolarHBondContact CB-O 3.28Å; L338-V373 HydrophobicContact CD1-CG1 3.56Å; L338-V373 HydrophobicContact CG-CG1 4.12Å; L338-V373 PolarHBondContact N-O 3.3Å; L338-I374 HydrophobicContact CB-CD1 3.97Å; L338-I374 HydrophobicContact CD2-CD1 3.46Å; L338-I374 VanDerWaalsContact CD2-CD1 3.46Å; L338-I374 HydrophobicContact CG-CD1 4.31Å; L338-S378 PolarHBondContact O-OG 3.42Å; L338-S380 WeakPolarHBondContact CD2-OG 3.42Å; L338-K517 HydrophobicContact CD1-CG 3.8Å; L338-I520 HydrophobicContact CD1-CG2 4.06Å; L338-I520 HydrophobicContact CD2-CG2 4.24Å; L338-C521 WeakPolarHBondContact CD1-SG 3.21Å
339	D	65.4	Low	75.4	Confident	120 Å²	120	29.3 Å²	29.3	64%	0.642	18%	0.18	S	C	*	.			trans	-87.1	6.3	-173.5	-53.1	-37.5	0	0	0	113	S337	S337-D339 WeakPolarHBondContact CB-OD1 3.39Å; S337-D339 PolarHBondContact O-N 3.07Å; S337-D339 VanDerWaalsContact O-N 3.15Å; S337-D339 PolarHBondContact OG-OD1 3.06Å
340	C	71	Confident	77.3	Confident	15 Å²	15	26 Å²	26	10%	0.101	16%	0.163	C	C	.	.	S	Bend	trans	-98.4	137.9	177.4	60.6	0	0	0	0	111.5	L338 I342 S380 C521	L338-C340 VanDerWaalsContact C-N 3.26Å; L338-C340 PolarHBondContact O-N 2.69Å; C340-I342 PolarHBondContact O-N 2.74Å; C340-S380 PolarHBondContact O-OG 3.26Å; C340-C521 HydrophobicContact CB-CB 3.74Å; C340-C521 WeakPolarHBondContact CB-SG 3.47Å; C340-C521 WeakPolarHBondContact SG-CA 3.48Å; C340-C521 WeakPolarHBondContact SG-CB 3.08Å; C340-C521 CovalentContact SG-SG 2.06Å; C340-C521 PolarHBondContact SG-SG 2.74Å
341	S	76.7	Confident	78.7	Confident	60 Å²	60	22 Å²	22	42%	0.42	14%	0.136	S	C	.	.			trans	-88.3	105.1	-179.3	-58.5	0	0	0	0	110.3	P379 P449	S341-P379 WeakPolarHBondContact OG-CB 3.48Å; S341-P379 WeakPolarHBondContact OG-CG 3.38Å; S341-P449 WeakPolarHBondContact O-CD 3.01Å
342	I	83.4	Confident	79.7	Confident	4 Å²	4	22.3 Å²	22.3	2%	0.021	15%	0.151	C	C	.	.			trans	-142.8	156.5	-177.3	59.3	168.2	0	0	0	111.7	L338 C340 L344 S380 K381 P449 V451 I520	L338-I342 HydrophobicContact CD2-CD1 4.31Å; C340-I342 PolarHBondContact O-N 2.74Å; I342-L344 HydrophobicContact CD1-CB 4.14Å; I342-L344 HydrophobicContact CD1-CD1 4.47Å; I342-L344 HydrophobicContact CG1-CB 4.43Å; I342-S380 CarbonylContact O-C 3.57Å; I342-S380 VanDerWaalsContact O-CA 3.3Å; I342-S380 WeakPolarHBondContact O-CA 3.35Å; I342-S380 WeakPolarHBondContact O-CB 3.46Å; I342-K381 PolarHBondContact O-N 3.19Å; I342-P449 HydrophobicContact CG2-CB 4.13Å; I342-P449 HydrophobicContact CG2-CG 4.31Å; I342-V451 HydrophobicContact CD1-CG2 4.19Å; I342-I520 HydrophobicContact CD1-CG2 3.13Å
343	D	88.2	Confident	80.8	Confident	23 Å²	23	26.1 Å²	26.1	12%	0.123	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	109.2	167.1	-84.3	5.8	0	0	0	108.3	K381 V397 F435 P449 R450 V451	D343-K381 WeakPolarHBondContact OD1-CB 3.24Å; D343-K381 VanDerWaalsContact OD1-CD 3.22Å; D343-K381 WeakPolarHBondContact OD1-CD 3.32Å; D343-K381 WeakPolarHBondContact OD1-CG 3.48Å; D343-K381 IonicContact OD1-NZ 3.45Å; D343-K381 PolarHBondContact OD1-NZ 3.15Å; D343-K381 IonicContact OD2-NZ 3.79Å; D343-V397 HydrophobicContact CB-CG1 3.83Å; D343-F435 HydrophobicContact CB-CD1 4.13Å; D343-F435 HydrophobicContact CB-CE1 4.08Å; D343-F435 WeakPolarHBondContact O-CE1 3.07Å; D343-P449 PolarHBondContact N-O 2.75Å; D343-R450 HydrophobicContact CB-CG 4.27Å; D343-R450 CarbonylContact O-C 3.57Å; D343-R450 WeakPolarHBondContact O-CA 3.32Å; D343-V451 PolarHBondContact O-N 3.21Å
344	L	92.1	Very high	82.4	Confident	0 Å²	0	26 Å²	26	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.2	-170.2	179.5	63.8	0	0	0	111.2	I342 F346 K381 V382 G383 V451 V453 I520	I342-L344 HydrophobicContact CD1-CB 4.14Å; I342-L344 HydrophobicContact CD1-CD1 4.47Å; I342-L344 HydrophobicContact CG1-CB 4.43Å; L344-F346 HydrophobicContact CD2-CD2 4.31Å; L344-F346 HydrophobicContact CD2-CE2 3.44Å; L344-F346 VanDerWaalsContact CD2-CE2 3.44Å; L344-F346 HydrophobicContact CD2-CZ 3.84Å; L344-F346 HydrophobicContact CG-CD2 4.31Å; L344-F346 HydrophobicContact CG-CE2 3.9Å; L344-F346 HydrophobicContact CG-CZ 4.46Å; L344-K381 PolarHBondContact N-O 3.23Å; L344-V382 CarbonylContact O-C 3.59Å; L344-V382 VanDerWaalsContact O-CA 3.28Å; L344-V382 WeakPolarHBondContact O-CA 3.47Å; L344-G383 PolarHBondContact O-N 3.39Å; L344-V451 CarbonylContact C-O 3.58Å; L344-V451 WeakPolarHBondContact CA-O 3.27Å; L344-V451 HydrophobicContact CD1-CB 3.86Å; L344-V451 HydrophobicContact CD1-CG1 3.84Å; L344-V453 HydrophobicContact CD1-CG2 3.66Å; L344-I520 HydrophobicContact CD1-CD1 4.48Å; L344-I520 HydrophobicContact CD1-CG2 4.5Å; L344-I520 HydrophobicContact CD2-CD1 4.35Å; L344-I520 HydrophobicContact CD2-CG2 4.45Å
345	I	95.6	Very high	84.4	Confident	0 Å²	0	28 Å²	28	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.8	169.2	-167.2	155.9	0	0	0	111.1	G383 A385 V393 V397 V430 F435 V451 V452 V453	I345-G383 WeakPolarHBondContact CA-O 3.39Å; I345-A385 HydrophobicContact CD1-CB 4.26Å; I345-A385 HydrophobicContact CG1-CB 4.36Å; I345-V393 HydrophobicContact CD1-CG1 4.28Å; I345-V397 HydrophobicContact CB-CG2 4.12Å; I345-V397 HydrophobicContact CD1-CG2 4.44Å; I345-V430 HydrophobicContact CD1-CG1 4.01Å; I345-V430 HydrophobicContact CG1-CG1 4.4Å; I345-V430 HydrophobicContact CG2-CG1 3.64Å; I345-F435 HydrophobicContact CB-CZ 4.29Å; I345-F435 HydrophobicContact CG2-CE1 4.34Å; I345-F435 HydrophobicContact CG2-CE2 3.87Å; I345-F435 HydrophobicContact CG2-CZ 3.55Å; I345-V451 PolarHBondContact N-O 3.47Å; I345-V452 HydrophobicContact CG2-CB 4.13Å; I345-V452 HydrophobicContact CG2-CG1 4.33Å; I345-V452 HydrophobicContact CG2-CG2 3.53Å; I345-V452 WeakPolarHBondContact O-CA 3.43Å; I345-V453 PolarHBondContact O-N 3.43Å
346	F	97.8	Very high	86.3	Confident	1 Å²	1	31.9 Å²	31.9	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.5	171.2	-74.2	-87.7	0	0	0	109.6	L344 L366 F369 L370 V382 G383 L384 A385 V453 L455 L516 I520	L344-F346 HydrophobicContact CD2-CD2 4.31Å; L344-F346 HydrophobicContact CD2-CE2 3.44Å; L344-F346 VanDerWaalsContact CD2-CE2 3.44Å; L344-F346 HydrophobicContact CD2-CZ 3.84Å; L344-F346 HydrophobicContact CG-CD2 4.31Å; L344-F346 HydrophobicContact CG-CE2 3.9Å; L344-F346 HydrophobicContact CG-CZ 4.46Å; F346-L366 HydrophobicContact CB-CD1 3.79Å; F346-L366 HydrophobicContact CB-CD2 4.37Å; F346-L366 HydrophobicContact CD1-CD1 3.52Å; F346-L366 HydrophobicContact CD2-CD1 3.62Å; F346-L366 HydrophobicContact CE1-CD1 3.93Å; F346-L366 HydrophobicContact CE2-CD1 4.03Å; F346-L366 HydrophobicContact CG-CD1 3.34Å; F346-L366 HydrophobicContact CZ-CD1 4.18Å; F346-F369 HydrophobicContact CE1-CD1 4.34Å; F346-F369 HydrophobicContact CE2-CD1 4.32Å; F346-F369 HydrophobicContact CE2-CE1 4.35Å; F346-F369 AromaticContact CZ-CD1 3.58Å; F346-F369 HydrophobicContact CZ-CD1 3.58Å; F346-F369 AromaticContact CZ-CE1 3.61Å; F346-F369 HydrophobicContact CZ-CE1 3.61Å; F346-F369 HydrophobicContact CZ-CG 4.4Å; F346-F369 HydrophobicContact CZ-CZ 4.43Å; F346-L370 HydrophobicContact CD2-CD2 4.43Å; F346-L370 HydrophobicContact CE2-CD2 3.86Å; F346-V382 HydrophobicContact CD2-CG1 4.16Å; F346-V382 HydrophobicContact CE2-CG1 4.33Å; F346-G383 PolarHBondContact N-O 2.95Å; F346-G383 VanDerWaalsContact N-O 3.09Å; F346-L384 HydrophobicContact CB-CD2 4.4Å; F346-A385 PolarHBondContact O-N 3.31Å; F346-A385 VanDerWaalsContact O-O 3.12Å; F346-V453 HydrophobicContact CD1-CB 3.69Å; F346-V453 HydrophobicContact CD1-CG1 3.75Å; F346-V453 HydrophobicContact CD1-CG2 4.43Å; F346-V453 HydrophobicContact CE1-CB 3.8Å; F346-V453 HydrophobicContact CE1-CG1 3.7Å; F346-V453 HydrophobicContact CE1-CG2 4.11Å; F346-V453 HydrophobicContact CG-CB 4.46Å; F346-L455 HydrophobicContact CD1-CD1 4.27Å; F346-L516 HydrophobicContact CE1-CD2 4.41Å; F346-I520 HydrophobicContact CZ-CD1 4.49Å
347	L	98.1	Very high	87.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	103.8	176.4	179.5	55.5	0	0	0	109.2	A385 F387 A426 L427 V430 V452 V453 L454 L455	L347-A385 WeakPolarHBondContact CA-O 3.48Å; L347-A385 HydrophobicContact CD1-CB 3.81Å; L347-F387 HydrophobicContact CD1-CB 4Å; L347-F387 HydrophobicContact CD1-CD1 3.59Å; L347-F387 HydrophobicContact CD1-CE1 4.48Å; L347-F387 HydrophobicContact CD1-CG 4.13Å; L347-F387 HydrophobicContact CD2-CD1 4.36Å; L347-F387 HydrophobicContact CG-CD1 3.62Å; L347-F387 HydrophobicContact CG-CE1 4.04Å; L347-F387 HydrophobicContact CG-CG 4.43Å; L347-A426 HydrophobicContact CD1-CB 4.49Å; L347-A426 HydrophobicContact CD2-CB 4.06Å; L347-L427 HydrophobicContact CD2-CD2 4.25Å; L347-V430 HydrophobicContact CD1-CG2 3.83Å; L347-V430 HydrophobicContact CD2-CG2 4.07Å; L347-V430 HydrophobicContact CG-CG2 4.44Å; L347-V452 HydrophobicContact CB-CG1 4.17Å; L347-V452 HydrophobicContact CD2-CG1 4.5Å; L347-V453 PolarHBondContact N-O 3.5Å; L347-L454 HydrophobicContact CB-CD1 4.46Å; L347-L454 HydrophobicContact CD2-CD1 4Å; L347-L454 HydrophobicContact CG-CD1 4.06Å; L347-L455 PolarHBondContact O-N 3.26Å
348	L	98	Very high	89.1	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125.4	-170.2	-177.5	74.8	0	0	0	111.8	F359 L362 K363 A385 V386 F387 L414 L455	L348-F359 HydrophobicContact CD2-CD2 4.45Å; L348-F359 HydrophobicContact CD2-CE2 3.72Å; L348-F359 HydrophobicContact CD2-CZ 4.14Å; L348-F359 HydrophobicContact CG-CE2 4.25Å; L348-L362 HydrophobicContact CD1-CB 3.4Å; L348-L362 HydrophobicContact CD1-CD1 4.32Å; L348-L362 HydrophobicContact CD1-CG 4.48Å; L348-K363 HydrophobicContact CD2-CB 4.42Å; L348-A385 PolarHBondContact N-O 2.67Å; L348-V386 HydrophobicContact CB-CG1 4.22Å; L348-V386 HydrophobicContact CD2-CG1 4.31Å; L348-V386 CarbonylContact O-C 3.49Å; L348-V386 VanDerWaalsContact O-CA 3.26Å; L348-V386 WeakPolarHBondContact O-CA 3.39Å; L348-F387 WeakPolarHBondContact O-CD1 3.47Å; L348-F387 PolarHBondContact O-N 2.98Å; L348-L414 HydrophobicContact CD2-CD1 3.92Å; L348-L455 HydrophobicContact CD1-CB 4.06Å; L348-L455 HydrophobicContact CD1-CD1 3.73Å
349	E	97.5	Very high	90.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	130.5	174.2	-173.6	-174.5	168.7	0	0	111.4	S351 L354 F359 L362 F387 T421 L455 A456 A457 T458	E349-S351 PolarHBondContact OE1-OG 2.64Å; E349-L354 HydrophobicContact CB-CD2 4.37Å; E349-L354 HydrophobicContact CG-CD2 4.19Å; E349-L354 WeakPolarHBondContact O-CD2 3.46Å; E349-F359 VanDerWaalsContact O-CD2 3.32Å; E349-F359 WeakPolarHBondContact O-CD2 3.48Å; E349-L362 HydrophobicContact CB-CD1 4.3Å; E349-F387 HydrophobicContact CB-CD1 4.43Å; E349-F387 HydrophobicContact CB-CE1 3.65Å; E349-F387 HydrophobicContact CB-CE2 4.41Å; E349-F387 HydrophobicContact CB-CZ 3.63Å; E349-F387 HydrophobicContact CG-CE1 4.36Å; E349-F387 HydrophobicContact CG-CE2 4.27Å; E349-F387 HydrophobicContact CG-CZ 3.93Å; E349-F387 VanDerWaalsContact N-CE1 3.32Å; E349-T421 HydrophobicContact CG-CG2 4.36Å; E349-T421 PolarHBondContact OE1-OG1 2.85Å; E349-L455 WeakPolarHBondContact CB-O 3.15Å; E349-L455 PolarHBondContact N-O 3.11Å; E349-A456 WeakPolarHBondContact OE2-CA 3.19Å; E349-A457 PolarHBondContact OE2-N 2.64Å; E349-T458 WeakPolarHBondContact OE1-CB 3.33Å; E349-T458 WeakPolarHBondContact OE1-CG2 3.47Å; E349-T458 PolarHBondContact OE1-OG1 3.19Å; E349-T458 PolarHBondContact OE2-N 3.19Å
350	G	96.4	Very high	91.7	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.01	20%	0.2	C	C	.	.			trans	-142.5	46	169.8	0	0	0	0	0	111.5	F387 P416 P417 G418	G350-F387 CarbonylContact C-O 3.54Å; G350-F387 PolarHBondContact N-O 3.03Å; G350-P416 CarbonylContact O-C 3.6Å; G350-P416 WeakPolarHBondContact O-CB 3.32Å; G350-P417 VanDerWaalsContact O-CD 3.24Å; G350-P417 WeakPolarHBondContact O-CD 3.38Å; G350-G418 WeakPolarHBondContact O-CA 3.46Å; G350-G418 PolarHBondContact O-N 2.96Å
351	S	96.4	Very high	92.6	Very high	6 Å²	6	36.3 Å²	36.3	4%	0.042	21%	0.211	C	C	.	.			trans	-68.6	165.8	174.9	62.4	0	0	0	0	112.1	E349 T353 L354 T421	E349-S351 PolarHBondContact OE1-OG 2.64Å; S351-T353 VanDerWaalsContact C-N 3.29Å; S351-T353 WeakPolarHBondContact CB-OG1 3.39Å; S351-T353 PolarHBondContact OG-OG1 2.83Å; S351-L354 PolarHBondContact O-N 3.3Å; S351-L354 WeakPolarHBondContact OG-CB 3.35Å; S351-L354 PolarHBondContact OG-N 3.48Å; S351-T421 PolarHBondContact OG-OG1 2.79Å
352	A	93.8	Very high	93.5	Very high	75 Å²	75	33.7 Å²	33.7	62%	0.62	19%	0.192	S	C	*	.	S	Bend	trans	-76	-17	173.2	0	0	0	0	0	113.2	L354 G419	A352-L354 VanDerWaalsContact C-N 3.32Å; A352-G419 WeakPolarHBondContact CB-O 3.05Å; A352-G419 PolarHBondContact N-O 2.93Å
353	T	91.8	Very high	94	Very high	80 Å²	80	35 Å²	35	49%	0.491	20%	0.198	S	C	.	.	S	Bend	trans	-76.7	-21.9	173.2	49.6	0	0	0	0	111.9	S351 T421 T458	S351-T353 VanDerWaalsContact C-N 3.29Å; S351-T353 WeakPolarHBondContact CB-OG1 3.39Å; S351-T353 PolarHBondContact OG-OG1 2.83Å; T353-T421 PolarHBondContact OG1-OG1 2.67Å; T353-T458 PolarHBondContact OG1-OG1 3.42Å
354	L	93.3	Very high	94.1	Very high	22 Å²	22	37.1 Å²	37.1	12%	0.115	21%	0.214	C	C	.	.	S	Bend	trans	-83.6	134.3	172.5	-172	61.5	0	0	0	110.7	E349 S351 A352 F359 L362 A457 T458	E349-L354 HydrophobicContact CB-CD2 4.37Å; E349-L354 HydrophobicContact CG-CD2 4.19Å; E349-L354 WeakPolarHBondContact O-CD2 3.46Å; S351-L354 PolarHBondContact O-N 3.3Å; S351-L354 WeakPolarHBondContact OG-CB 3.35Å; S351-L354 PolarHBondContact OG-N 3.48Å; A352-L354 VanDerWaalsContact C-N 3.32Å; L354-F359 HydrophobicContact CD2-CB 4.14Å; L354-L362 HydrophobicContact CD2-CD1 3.94Å; L354-A457 HydrophobicContact CD1-CB 3.71Å; L354-T458 HydrophobicContact CB-CG2 4.43Å; L354-T458 HydrophobicContact CD1-CG2 4.37Å
355	T	92.8	Very high	94.2	Very high	91 Å²	91	37.1 Å²	37.1	56%	0.558	22%	0.215	S	C	*	.			trans	-67.3	152.4	173.9	62.4	0	0	0	0	110.8	D357 G358 F359	T355-D357 PolarHBondContact O-N 2.93Å; T355-G358 WeakPolarHBondContact O-CA 3.28Å; T355-G358 PolarHBondContact O-N 3.41Å; T355-G358 PolarHBondContact OG1-N 3.23Å; T355-F359 PolarHBondContact O-N 3.39Å
356	L	91.9	Very high	94.2	Very high	121 Å²	121	37.2 Å²	37.2	63%	0.634	22%	0.215	S	C	*	.	H	α-helix	trans	-56.2	-40.2	174.8	-178.8	62.5	0	0	0	111.6	G358 F359 L360	L356-G358 VanDerWaalsContact C-N 3.34Å; L356-G358 PolarHBondContact O-N 3.09Å; L356-F359 PolarHBondContact O-N 3.39Å; L356-L360 HydrophobicContact CG-CD1 4.26Å; L356-L360 VanDerWaalsContact O-CG 3.29Å; L356-L360 WeakPolarHBondContact O-CG 3.37Å; L356-L360 PolarHBondContact O-N 3.31Å
357	D	91.4	Very high	93.9	Very high	89 Å²	89	39.9 Å²	39.9	48%	0.476	23%	0.226	S	C	.	.	H	α-helix	trans	-60.1	-42.6	173	-176.4	61.3	0	0	0	111.8	T355 L360 R361	T355-D357 PolarHBondContact O-N 2.93Å; D357-L360 PolarHBondContact O-N 3.04Å; D357-R361 WeakPolarHBondContact O-CB 3.36Å; D357-R361 VanDerWaalsContact O-CG 3.25Å; D357-R361 WeakPolarHBondContact O-CG 3.5Å; D357-R361 PolarHBondContact O-N 2.9Å; D357-R361 IonicContact OD1-NE 3.22Å; D357-R361 IonicContact OD1-NH2 3.85Å; D357-R361 IonicContact OD2-CZ 3.33Å; D357-R361 IonicContact OD2-NE 2.68Å; D357-R361 PolarHBondContact OD2-NE 3.12Å; D357-R361 IonicContact OD2-NH2 2.76Å; D357-R361 PolarHBondContact OD2-NH2 2.87Å
358	G	90.6	Very high	93.4	Very high	13 Å²	13	46.2 Å²	46.2	13%	0.134	25%	0.25	C	S	.	.	H	α-helix	trans	-58.9	-47.4	174.3	0	0	0	0	0	112.8	T355 L356 R361 L362	T355-G358 WeakPolarHBondContact O-CA 3.28Å; T355-G358 PolarHBondContact O-N 3.41Å; T355-G358 PolarHBondContact OG1-N 3.23Å; L356-G358 VanDerWaalsContact C-N 3.34Å; L356-G358 PolarHBondContact O-N 3.09Å; G358-R361 PolarHBondContact O-N 3.44Å; G358-L362 WeakPolarHBondContact O-CG 3.35Å; G358-L362 PolarHBondContact O-N 3.32Å
359	F	95.4	Very high	93	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-59.5	-47.6	175.3	176.5	-102.8	0	0	0	111.7	L348 E349 L354 T355 L356 R361 L362 K363 L414 P416	L348-F359 HydrophobicContact CD2-CD2 4.45Å; L348-F359 HydrophobicContact CD2-CE2 3.72Å; L348-F359 HydrophobicContact CD2-CZ 4.14Å; L348-F359 HydrophobicContact CG-CE2 4.25Å; E349-F359 VanDerWaalsContact O-CD2 3.32Å; E349-F359 WeakPolarHBondContact O-CD2 3.48Å; L354-F359 HydrophobicContact CD2-CB 4.14Å; T355-F359 PolarHBondContact O-N 3.39Å; L356-F359 PolarHBondContact O-N 3.39Å; F359-R361 VanDerWaalsContact C-N 3.27Å; F359-R361 PolarHBondContact O-N 2.94Å; F359-L362 PolarHBondContact O-N 3.05Å; F359-K363 HydrophobicContact CE1-CD 4.19Å; F359-K363 WeakPolarHBondContact O-CB 3.24Å; F359-K363 PolarHBondContact O-N 3.18Å; F359-L414 HydrophobicContact CZ-CB 4.36Å; F359-P416 HydrophobicContact CD1-CB 4.29Å; F359-P416 HydrophobicContact CD1-CG 4.23Å; F359-P416 HydrophobicContact CD2-CB 3.98Å; F359-P416 HydrophobicContact CE1-CB 4.36Å; F359-P416 HydrophobicContact CE1-CG 4.28Å; F359-P416 HydrophobicContact CE2-CB 4.05Å; F359-P416 HydrophobicContact CG-CB 4.1Å; F359-P416 HydrophobicContact CG-CG 4.47Å; F359-P416 HydrophobicContact CZ-CB 4.25Å
360	L	93.3	Very high	92.7	Very high	80 Å²	80	46.2 Å²	46.2	42%	0.419	25%	0.25	S	S	.	.	H	α-helix	trans	-62.7	-33.8	178.9	-69.7	175.5	0	0	0	112.3	L356 D357 S364	L356-L360 HydrophobicContact CG-CD1 4.26Å; L356-L360 VanDerWaalsContact O-CG 3.29Å; L356-L360 WeakPolarHBondContact O-CG 3.37Å; L356-L360 PolarHBondContact O-N 3.31Å; D357-L360 PolarHBondContact O-N 3.04Å; L360-S364 VanDerWaalsContact O-CB 3.23Å; L360-S364 WeakPolarHBondContact O-CB 3.34Å; L360-S364 PolarHBondContact O-N 2.88Å
361	R	91.2	Very high	92.1	Very high	90 Å²	90	50.9 Å²	50.9	34%	0.34	27%	0.272	S	S	.	.	H	α-helix	trans	-67.8	-45.7	174.1	-74	172	-173.9	-90.5	1.2	112.5	D357 G358 F359 K363 S364 F365 D507	D357-R361 WeakPolarHBondContact O-CB 3.36Å; D357-R361 VanDerWaalsContact O-CG 3.25Å; D357-R361 WeakPolarHBondContact O-CG 3.5Å; D357-R361 PolarHBondContact O-N 2.9Å; D357-R361 IonicContact OD1-NE 3.22Å; D357-R361 IonicContact OD1-NH2 3.85Å; D357-R361 IonicContact OD2-CZ 3.33Å; D357-R361 IonicContact OD2-NE 2.68Å; D357-R361 PolarHBondContact OD2-NE 3.12Å; D357-R361 IonicContact OD2-NH2 2.76Å; D357-R361 PolarHBondContact OD2-NH2 2.87Å; G358-R361 PolarHBondContact O-N 3.44Å; F359-R361 VanDerWaalsContact C-N 3.27Å; F359-R361 PolarHBondContact O-N 2.94Å; R361-K363 VanDerWaalsContact C-N 3.31Å; R361-K363 PolarHBondContact O-N 3.46Å; R361-S364 PolarHBondContact O-N 3.17Å; R361-F365 PolarHBondContact O-N 2.84Å; R361-D507 IonicContact CZ-OD1 2.61Å; R361-D507 IonicContact NH1-OD1 3.52Å; R361-D507 PolarHBondContact NH1-OD1 3.28Å
362	L	94.3	Very high	91.3	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-62.8	-40.6	175.3	-63.5	-179	0	0	0	110.9	L348 E349 L354 G358 F359 F365 L366 A457 L509	L348-L362 HydrophobicContact CD1-CB 3.4Å; L348-L362 HydrophobicContact CD1-CD1 4.32Å; L348-L362 HydrophobicContact CD1-CG 4.48Å; E349-L362 HydrophobicContact CB-CD1 4.3Å; L354-L362 HydrophobicContact CD2-CD1 3.94Å; G358-L362 WeakPolarHBondContact O-CG 3.35Å; G358-L362 PolarHBondContact O-N 3.32Å; F359-L362 PolarHBondContact O-N 3.05Å; L362-F365 PolarHBondContact O-N 2.93Å; L362-L366 WeakPolarHBondContact O-CB 3.45Å; L362-L366 PolarHBondContact O-N 2.84Å; L362-A457 HydrophobicContact CD1-CB 4.37Å; L362-L509 HydrophobicContact CD2-CD2 3.89Å
363	K	94.4	Very high	90.7	Very high	33 Å²	33	48.7 Å²	48.7	14%	0.143	25%	0.251	C	S	.	.	H	α-helix	trans	-62.4	-42.8	174.1	-167.1	173.8	94.4	167.4	0	112.3	L348 F359 R361 L366 K367 V411 D412 L414	L348-K363 HydrophobicContact CD2-CB 4.42Å; F359-K363 HydrophobicContact CE1-CD 4.19Å; F359-K363 WeakPolarHBondContact O-CB 3.24Å; F359-K363 PolarHBondContact O-N 3.18Å; R361-K363 VanDerWaalsContact C-N 3.31Å; R361-K363 PolarHBondContact O-N 3.46Å; K363-L366 PolarHBondContact O-N 3.15Å; K363-K367 WeakPolarHBondContact O-CB 3.39Å; K363-K367 PolarHBondContact O-N 3.24Å; K363-V411 WeakPolarHBondContact CD-O 3.43Å; K363-V411 HydrophobicContact CG-CG1 3.99Å; K363-D412 PolarHBondContact NZ-O 3.02Å; K363-L414 HydrophobicContact CD-CB 4.33Å
364	S	91	Very high	90.2	Very high	66 Å²	66	45.5 Å²	45.5	46%	0.462	23%	0.23	S	C	.	.	H	α-helix	trans	-63.2	-43.3	176.1	-176	0	0	0	0	111.7	L360 R361 K367 R368	L360-S364 VanDerWaalsContact O-CB 3.23Å; L360-S364 WeakPolarHBondContact O-CB 3.34Å; L360-S364 PolarHBondContact O-N 2.88Å; R361-S364 PolarHBondContact O-N 3.17Å; S364-K367 PolarHBondContact O-N 3.46Å; S364-R368 WeakPolarHBondContact O-CB 3.36Å; S364-R368 PolarHBondContact O-N 3.09Å
365	F	93.3	Very high	89.1	Confident	1 Å²	1	46.5 Å²	46.5	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-59.6	-49.5	173.8	172.1	-100.8	0	0	0	111.9	R361 L362 K367 R368 F369 L455 L509 I510 I513 L516	R361-F365 PolarHBondContact O-N 2.84Å; L362-F365 PolarHBondContact O-N 2.93Å; F365-K367 PolarHBondContact O-N 2.86Å; F365-R368 PolarHBondContact O-N 2.8Å; F365-F369 WeakPolarHBondContact O-CB 3.5Å; F365-F369 PolarHBondContact O-N 3.14Å; F365-L455 HydrophobicContact CD1-CD1 4.28Å; F365-L455 HydrophobicContact CD1-CD2 4.19Å; F365-L455 HydrophobicContact CE1-CD2 3.92Å; F365-L509 HydrophobicContact CB-CD2 3.77Å; F365-L509 HydrophobicContact CB-CG 3.97Å; F365-L509 HydrophobicContact CD1-CD1 4.26Å; F365-L509 HydrophobicContact CD1-CD2 4.38Å; F365-L509 HydrophobicContact CD1-CG 4.32Å; F365-L509 HydrophobicContact CD2-CD1 3.8Å; F365-L509 HydrophobicContact CD2-CD2 4.23Å; F365-L509 HydrophobicContact CD2-CG 3.49Å; F365-L509 VanDerWaalsContact CD2-CG 3.49Å; F365-L509 WeakPolarHBondContact CD2-O 3.32Å; F365-L509 HydrophobicContact CE1-CD1 4.25Å; F365-L509 HydrophobicContact CE2-CD1 3.78Å; F365-L509 HydrophobicContact CE2-CG 3.98Å; F365-L509 WeakPolarHBondContact CE2-O 3.35Å; F365-L509 HydrophobicContact CG-CD1 4.03Å; F365-L509 HydrophobicContact CG-CD2 3.87Å; F365-L509 HydrophobicContact CG-CG 3.66Å; F365-L509 HydrophobicContact CZ-CD1 4Å; F365-I510 HydrophobicContact CB-CD1 4.3Å; F365-I510 HydrophobicContact CD2-CD1 4.2Å; F365-I513 HydrophobicContact CD2-CG1 4.21Å; F365-I513 HydrophobicContact CE2-CG1 3.65Å; F365-I513 HydrophobicContact CZ-CG1 4.37Å; F365-L516 HydrophobicContact CE1-CD2 3.68Å; F365-L516 HydrophobicContact CZ-CD2 3.59Å
366	L	95.1	Very high	87.7	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-57	-48.7	176.2	173.6	59.2	0	0	0	111.5	F346 L362 K363 R368 F369 L370 L384 V411 L414 L455	F346-L366 HydrophobicContact CB-CD1 3.79Å; F346-L366 HydrophobicContact CB-CD2 4.37Å; F346-L366 HydrophobicContact CD1-CD1 3.52Å; F346-L366 HydrophobicContact CD2-CD1 3.62Å; F346-L366 HydrophobicContact CE1-CD1 3.93Å; F346-L366 HydrophobicContact CE2-CD1 4.03Å; F346-L366 HydrophobicContact CG-CD1 3.34Å; F346-L366 HydrophobicContact CZ-CD1 4.18Å; L362-L366 WeakPolarHBondContact O-CB 3.45Å; L362-L366 PolarHBondContact O-N 2.84Å; K363-L366 PolarHBondContact O-N 3.15Å; L366-R368 VanDerWaalsContact C-N 3.34Å; L366-R368 PolarHBondContact O-N 3.45Å; L366-F369 PolarHBondContact O-N 2.83Å; L366-L370 HydrophobicContact CD1-CD1 3.78Å; L366-L370 HydrophobicContact CD1-CG 4.03Å; L366-L370 HydrophobicContact CG-CD1 4.05Å; L366-L370 VanDerWaalsContact O-CG 3.3Å; L366-L370 WeakPolarHBondContact O-CG 3.2Å; L366-L370 PolarHBondContact O-N 3.19Å; L366-L384 HydrophobicContact CD2-CD2 4.09Å; L366-V411 HydrophobicContact CD2-CG1 4.16Å; L366-V411 HydrophobicContact CD2-CG2 4.31Å; L366-V411 HydrophobicContact CG-CG1 4.21Å; L366-V411 HydrophobicContact CG-CG2 4.35Å; L366-L414 HydrophobicContact CD2-CD1 4.17Å; L366-L455 HydrophobicContact CB-CD1 4.21Å
367	K	91.3	Very high	86.4	Confident	57 Å²	57	46.4 Å²	46.4	25%	0.248	24%	0.241	C	C	.	.	H	α-helix	trans	-58.2	-46.4	177.8	-171.3	178.5	-172.9	166.6	0	111.4	K363 S364 F365 L370 Q371 L408 V411 D412	K363-K367 WeakPolarHBondContact O-CB 3.39Å; K363-K367 PolarHBondContact O-N 3.24Å; S364-K367 PolarHBondContact O-N 3.46Å; F365-K367 PolarHBondContact O-N 2.86Å; K367-L370 PolarHBondContact O-N 3.37Å; K367-Q371 WeakPolarHBondContact O-CB 3.43Å; K367-Q371 VanDerWaalsContact O-CG 3.3Å; K367-Q371 WeakPolarHBondContact O-CG 3.48Å; K367-Q371 PolarHBondContact O-N 3.16Å; K367-L408 HydrophobicContact CG-CD2 3.98Å; K367-V411 HydrophobicContact CB-CG1 4.02Å; K367-D412 WeakPolarHBondContact CD-OD1 3.41Å; K367-D412 WeakPolarHBondContact CE-OD1 3.45Å; K367-D412 IonicContact NZ-OD1 2.87Å; K367-D412 PolarHBondContact NZ-OD1 2.77Å; K367-D412 IonicContact NZ-OD2 2.75Å; K367-D412 PolarHBondContact NZ-OD2 2.62Å
368	R	88.2	Confident	85.3	Confident	134 Å²	134	42.6 Å²	42.6	51%	0.506	22%	0.222	S	C	.	.	H	α-helix	trans	-66.8	-41.4	179.9	-173.5	61	177.4	-138.7	-0.5	111.7	S364 F365 L366 Q371 T372 I510 I513	S364-R368 WeakPolarHBondContact O-CB 3.36Å; S364-R368 PolarHBondContact O-N 3.09Å; F365-R368 PolarHBondContact O-N 2.8Å; L366-R368 VanDerWaalsContact C-N 3.34Å; L366-R368 PolarHBondContact O-N 3.45Å; R368-Q371 PolarHBondContact O-N 3.41Å; R368-T372 VanDerWaalsContact O-CB 3.29Å; R368-T372 WeakPolarHBondContact O-CB 3.36Å; R368-T372 PolarHBondContact O-N 2.71Å; R368-T372 PolarHBondContact O-OG1 3.37Å; R368-I510 HydrophobicContact CB-CD1 4.04Å; R368-I510 HydrophobicContact CG-CD1 4.24Å; R368-I510 HydrophobicContact CG-CG2 4.41Å; R368-I513 HydrophobicContact CB-CD1 4.13Å; R368-I513 HydrophobicContact CG-CD1 3.61Å
369	F	90.7	Very high	84.4	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.7	-53.8	174.2	-177.6	-84.2	0	0	0	109.8	F346 F365 L366 Q371 T372 V373 I513 L516 K517 I520	F346-F369 HydrophobicContact CE1-CD1 4.34Å; F346-F369 HydrophobicContact CE2-CD1 4.32Å; F346-F369 HydrophobicContact CE2-CE1 4.35Å; F346-F369 AromaticContact CZ-CD1 3.58Å; F346-F369 HydrophobicContact CZ-CD1 3.58Å; F346-F369 AromaticContact CZ-CE1 3.61Å; F346-F369 HydrophobicContact CZ-CE1 3.61Å; F346-F369 HydrophobicContact CZ-CG 4.4Å; F346-F369 HydrophobicContact CZ-CZ 4.43Å; F365-F369 WeakPolarHBondContact O-CB 3.5Å; F365-F369 PolarHBondContact O-N 3.14Å; L366-F369 PolarHBondContact O-N 2.83Å; F369-Q371 PolarHBondContact O-N 2.84Å; F369-T372 PolarHBondContact O-N 2.84Å; F369-T372 VanDerWaalsContact O-N 3.1Å; F369-V373 HydrophobicContact CD1-CB 4.14Å; F369-V373 HydrophobicContact CD1-CG2 4.34Å; F369-V373 HydrophobicContact CD2-CG2 3.94Å; F369-V373 HydrophobicContact CE1-CB 3.82Å; F369-V373 HydrophobicContact CE1-CG1 3.74Å; F369-V373 HydrophobicContact CE1-CG2 4.2Å; F369-V373 HydrophobicContact CE2-CB 4.29Å; F369-V373 HydrophobicContact CE2-CG1 4.25Å; F369-V373 HydrophobicContact CE2-CG2 3.79Å; F369-V373 HydrophobicContact CG-CB 4.49Å; F369-V373 HydrophobicContact CG-CG2 4.2Å; F369-V373 HydrophobicContact CZ-CB 3.9Å; F369-V373 HydrophobicContact CZ-CG1 3.56Å; F369-V373 HydrophobicContact CZ-CG2 3.91Å; F369-V373 WeakPolarHBondContact O-CA 3.1Å; F369-V373 WeakPolarHBondContact O-CB 3.39Å; F369-V373 WeakPolarHBondContact O-CG2 3.31Å; F369-V373 PolarHBondContact O-N 3.04Å; F369-I513 HydrophobicContact CB-CG1 4.44Å; F369-I513 HydrophobicContact CD2-CB 4.36Å; F369-I513 HydrophobicContact CD2-CG1 4.25Å; F369-I513 HydrophobicContact CD2-CG2 3.86Å; F369-I513 HydrophobicContact CE2-CG2 4.36Å; F369-L516 HydrophobicContact CD2-CB 4.46Å; F369-L516 HydrophobicContact CD2-CD2 3.78Å; F369-L516 HydrophobicContact CD2-CG 4.23Å; F369-L516 HydrophobicContact CE2-CB 4.01Å; F369-L516 HydrophobicContact CE2-CD2 3.78Å; F369-L516 HydrophobicContact CE2-CG 3.73Å; F369-L516 HydrophobicContact CG-CD2 4.48Å; F369-L516 HydrophobicContact CZ-CD2 4.48Å; F369-L516 HydrophobicContact CZ-CG 4.35Å; F369-K517 HydrophobicContact CE2-CB 4.39Å; F369-I520 HydrophobicContact CE1-CD1 4.11Å; F369-I520 HydrophobicContact CE2-CD1 4.17Å; F369-I520 HydrophobicContact CZ-CD1 3.48Å; F369-I520 VanDerWaalsContact CZ-CD1 3.48Å
370	L	90.1	Very high	83.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-40.1	-178.9	-65	171.2	0	0	0	112.7	F346 L366 K367 T372 I374 V382 L384 L407 L408 V411	F346-L370 HydrophobicContact CD2-CD2 4.43Å; F346-L370 HydrophobicContact CE2-CD2 3.86Å; L366-L370 HydrophobicContact CD1-CD1 3.78Å; L366-L370 HydrophobicContact CD1-CG 4.03Å; L366-L370 HydrophobicContact CG-CD1 4.05Å; L366-L370 VanDerWaalsContact O-CG 3.3Å; L366-L370 WeakPolarHBondContact O-CG 3.2Å; L366-L370 PolarHBondContact O-N 3.19Å; K367-L370 PolarHBondContact O-N 3.37Å; L370-T372 VanDerWaalsContact C-N 3.31Å; L370-T372 PolarHBondContact O-N 3.07Å; L370-I374 HydrophobicContact CD2-CB 4.41Å; L370-I374 HydrophobicContact CD2-CG1 3.56Å; L370-I374 WeakPolarHBondContact O-CB 3.43Å; L370-I374 PolarHBondContact O-N 2.91Å; L370-V382 HydrophobicContact CD2-CG1 3.99Å; L370-L384 HydrophobicContact CD1-CD2 4.44Å; L370-L407 HydrophobicContact CD1-CD2 4.19Å; L370-L407 HydrophobicContact CD1-CG 4.18Å; L370-L407 HydrophobicContact CD2-CD2 4.11Å; L370-L408 HydrophobicContact CB-CD2 3.99Å; L370-V411 HydrophobicContact CD1-CG2 3.59Å
371	Q	85.1	Confident	83.4	Confident	99 Å²	99	43.2 Å²	43.2	46%	0.463	22%	0.223	S	C	.	.	H	α-helix	trans	-63.2	-36	174.9	-77.4	174.8	-29.8	0	0	113.6	K367 R368 F369 L408	K367-Q371 WeakPolarHBondContact O-CB 3.43Å; K367-Q371 VanDerWaalsContact O-CG 3.3Å; K367-Q371 WeakPolarHBondContact O-CG 3.48Å; K367-Q371 PolarHBondContact O-N 3.16Å; R368-Q371 PolarHBondContact O-N 3.41Å; F369-Q371 PolarHBondContact O-N 2.84Å; Q371-L408 HydrophobicContact CG-CD1 3.52Å; Q371-L408 HydrophobicContact CG-CD2 3.63Å; Q371-L408 HydrophobicContact CG-CG 4.23Å
372	T	77.9	Confident	83.4	Confident	36 Å²	36	39.3 Å²	39.3	22%	0.221	21%	0.209	C	C	.	.	H	α-helix	trans	-89.3	-30.5	-173.3	-47.6	0	0	0	0	111.3	P334 L336 R368 F369 L370	P334-T372 HydrophobicContact CB-CG2 4.26Å; L336-T372 HydrophobicContact CB-CG2 4.25Å; L336-T372 HydrophobicContact CD1-CG2 3.95Å; R368-T372 VanDerWaalsContact O-CB 3.29Å; R368-T372 WeakPolarHBondContact O-CB 3.36Å; R368-T372 PolarHBondContact O-N 2.71Å; R368-T372 PolarHBondContact O-OG1 3.37Å; F369-T372 PolarHBondContact O-N 2.84Å; F369-T372 VanDerWaalsContact O-N 3.1Å; L370-T372 VanDerWaalsContact C-N 3.31Å; L370-T372 PolarHBondContact O-N 3.07Å
373	V	82.3	Confident	83.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-111.3	-36.4	-165.5	-178.8	0	0	0	0	113.4	L336 L338 F369 S375 I513 K517	L336-V373 HydrophobicContact CB-CG2 4.02Å; L336-V373 WeakPolarHBondContact O-CA 3.39Å; L336-V373 WeakPolarHBondContact O-CG1 3.09Å; L338-V373 HydrophobicContact CB-CG1 3.7Å; L338-V373 WeakPolarHBondContact CB-O 3.28Å; L338-V373 HydrophobicContact CD1-CG1 3.56Å; L338-V373 HydrophobicContact CG-CG1 4.12Å; L338-V373 PolarHBondContact N-O 3.3Å; F369-V373 HydrophobicContact CD1-CB 4.14Å; F369-V373 HydrophobicContact CD1-CG2 4.34Å; F369-V373 HydrophobicContact CD2-CG2 3.94Å; F369-V373 HydrophobicContact CE1-CB 3.82Å; F369-V373 HydrophobicContact CE1-CG1 3.74Å; F369-V373 HydrophobicContact CE1-CG2 4.2Å; F369-V373 HydrophobicContact CE2-CB 4.29Å; F369-V373 HydrophobicContact CE2-CG1 4.25Å; F369-V373 HydrophobicContact CE2-CG2 3.79Å; F369-V373 HydrophobicContact CG-CB 4.49Å; F369-V373 HydrophobicContact CG-CG2 4.2Å; F369-V373 HydrophobicContact CZ-CB 3.9Å; F369-V373 HydrophobicContact CZ-CG1 3.56Å; F369-V373 HydrophobicContact CZ-CG2 3.91Å; F369-V373 WeakPolarHBondContact O-CA 3.1Å; F369-V373 WeakPolarHBondContact O-CB 3.39Å; F369-V373 WeakPolarHBondContact O-CG2 3.31Å; F369-V373 PolarHBondContact O-N 3.04Å; V373-S375 PolarHBondContact O-N 3.17Å; V373-I513 HydrophobicContact CG2-CG2 3.67Å; V373-K517 HydrophobicContact CG1-CB 4.43Å; V373-K517 HydrophobicContact CG1-CG 4.02Å
374	I	80.4	Confident	83.5	Confident	12 Å²	12	37.6 Å²	37.6	6%	0.062	20%	0.202	C	C	.	.			trans	-98.7	95	-178.1	-53.3	-60.6	0	0	0	109.6	L338 L370 V382 T404	L338-I374 HydrophobicContact CB-CD1 3.97Å; L338-I374 HydrophobicContact CD2-CD1 3.46Å; L338-I374 VanDerWaalsContact CD2-CD1 3.46Å; L338-I374 HydrophobicContact CG-CD1 4.31Å; L370-I374 HydrophobicContact CD2-CB 4.41Å; L370-I374 HydrophobicContact CD2-CG1 3.56Å; L370-I374 WeakPolarHBondContact O-CB 3.43Å; L370-I374 PolarHBondContact O-N 2.91Å; I374-V382 HydrophobicContact CD1-CG2 4.02Å; I374-V382 HydrophobicContact CG1-CG2 4.18Å; I374-V382 HydrophobicContact CG2-CG2 4.34Å; I374-T404 WeakPolarHBondContact O-CG2 3.49Å
375	S	70.1	Confident	83.8	Confident	43 Å²	43	34.6 Å²	34.6	30%	0.301	18%	0.18	S	C	.	.			trans	-74.6	164.1	171.2	58	0	0	0	0	111.4	S337 V373 D377 S378	S337-S375 PolarHBondContact OG-OG 3.35Å; V373-S375 PolarHBondContact O-N 3.17Å; S375-D377 PolarHBondContact O-N 3.4Å; S375-S378 WeakPolarHBondContact O-CB 3.2Å; S375-S378 PolarHBondContact O-N 2.71Å; S375-S378 PolarHBondContact OG-N 2.83Å
376	S	63.9	Low	84	Confident	69 Å²	69	34.6 Å²	34.6	48%	0.483	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.2	173.8	50.5	0	0	0	0	112.8
377	D	64.8	Low	84.1	Confident	141 Å²	141	34.5 Å²	34.5	75%	0.754	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	1.3	-173.1	-53.9	-13.2	0	0	0	111.8	S375	S375-D377 PolarHBondContact O-N 3.4Å
378	S	68.3	Low	84.3	Confident	9 Å²	9	31.8 Å²	31.8	6%	0.063	17%	0.168	C	C	.	.			trans	-62.8	130.1	178.3	178.9	0	0	0	0	110.2	L338 S375 S380	L338-S378 PolarHBondContact O-OG 3.42Å; S375-S378 WeakPolarHBondContact O-CB 3.2Å; S375-S378 PolarHBondContact O-N 2.71Å; S375-S378 PolarHBondContact OG-N 2.83Å; S378-S380 PolarHBondContact O-N 2.69Å; S378-S380 PolarHBondContact OG-N 3.27Å; S378-S380 PolarHBondContact OG-OG 3.39Å
379	P	70.8	Confident	84.6	Confident	47 Å²	47	27 Å²	27	31%	0.305	16%	0.161	S	C	.	.			trans	-71.4	-15.7	178.7	30.1	-35.6	0	0	0	112.6	S341	S341-P379 WeakPolarHBondContact OG-CB 3.48Å; S341-P379 WeakPolarHBondContact OG-CG 3.38Å
380	S	80.9	Confident	84.7	Confident	6 Å²	6	31.5 Å²	31.5	4%	0.042	18%	0.182	C	C	.	.			trans	-72.8	141.7	-174.6	-30.1	0	0	0	0	112.5	L338 C340 I342 S378	L338-S380 WeakPolarHBondContact CD2-OG 3.42Å; C340-S380 PolarHBondContact O-OG 3.26Å; I342-S380 CarbonylContact O-C 3.57Å; I342-S380 VanDerWaalsContact O-CA 3.3Å; I342-S380 WeakPolarHBondContact O-CA 3.35Å; I342-S380 WeakPolarHBondContact O-CB 3.46Å; S378-S380 PolarHBondContact O-N 2.69Å; S378-S380 PolarHBondContact OG-N 3.27Å; S378-S380 PolarHBondContact OG-OG 3.39Å
381	K	87.3	Confident	85	Confident	59 Å²	59	32.3 Å²	32.3	26%	0.257	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.5	173.9	-58	-175.7	-149.6	141	0	109.1	I342 D343 L344 V397 K401	I342-K381 PolarHBondContact O-N 3.19Å; D343-K381 WeakPolarHBondContact OD1-CB 3.24Å; D343-K381 VanDerWaalsContact OD1-CD 3.22Å; D343-K381 WeakPolarHBondContact OD1-CD 3.32Å; D343-K381 WeakPolarHBondContact OD1-CG 3.48Å; D343-K381 IonicContact OD1-NZ 3.45Å; D343-K381 PolarHBondContact OD1-NZ 3.15Å; D343-K381 IonicContact OD2-NZ 3.79Å; L344-K381 PolarHBondContact N-O 3.23Å; K381-V397 HydrophobicContact CB-CG1 3.46Å; K381-V397 VanDerWaalsContact CB-CG1 3.46Å; K381-V397 HydrophobicContact CD-CG1 4.5Å; K381-K401 HydrophobicContact CG-CD 4.43Å
382	V	91.4	Very high	85.5	Confident	9 Å²	9	33 Å²	33	6%	0.055	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.9	-177.5	-174.7	0	0	0	0	111.3	L344 F346 L370 I374 G398 L407	L344-V382 CarbonylContact O-C 3.59Å; L344-V382 VanDerWaalsContact O-CA 3.28Å; L344-V382 WeakPolarHBondContact O-CA 3.47Å; F346-V382 HydrophobicContact CD2-CG1 4.16Å; F346-V382 HydrophobicContact CE2-CG1 4.33Å; L370-V382 HydrophobicContact CD2-CG1 3.99Å; I374-V382 HydrophobicContact CD1-CG2 4.02Å; I374-V382 HydrophobicContact CG1-CG2 4.18Å; I374-V382 HydrophobicContact CG2-CG2 4.34Å; V382-G398 PolarHBondContact O-N 3.23Å; V382-L407 HydrophobicContact CB-CD2 4.18Å; V382-L407 HydrophobicContact CG1-CD1 4.3Å; V382-L407 HydrophobicContact CG1-CD2 4.22Å
383	G	93.4	Very high	86.3	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	162.5	169.8	0	0	0	0	0	111.9	L344 I345 F346 A395	L344-G383 PolarHBondContact O-N 3.39Å; I345-G383 WeakPolarHBondContact CA-O 3.39Å; F346-G383 PolarHBondContact N-O 2.95Å; F346-G383 VanDerWaalsContact N-O 3.09Å; G383-A395 CarbonylContact C-O 3.58Å; G383-A395 VanDerWaalsContact CA-O 3.22Å; G383-A395 WeakPolarHBondContact CA-O 3.45Å
384	L	96.8	Very high	86.8	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	132.9	-177.7	-58.2	174.9	0	0	0	110.1	F346 L366 L370 E394 A395 L407 A410 V411	F346-L384 HydrophobicContact CB-CD2 4.4Å; L366-L384 HydrophobicContact CD2-CD2 4.09Å; L370-L384 HydrophobicContact CD1-CD2 4.44Å; L384-E394 PolarHBondContact O-N 3.48Å; L384-A395 HydrophobicContact CB-CB 4.05Å; L384-A395 HydrophobicContact CD1-CB 4.42Å; L384-A395 HydrophobicContact CG-CB 4.29Å; L384-A395 PolarHBondContact N-O 3.39Å; L384-A395 PolarHBondContact O-N 3.15Å; L384-L407 HydrophobicContact CD1-CD1 3.95Å; L384-L407 HydrophobicContact CD2-CD1 4.47Å; L384-L407 HydrophobicContact CG-CD1 4.18Å; L384-A410 HydrophobicContact CD1-CB 3.93Å; L384-V411 HydrophobicContact CD1-CG2 3.72Å; L384-V411 HydrophobicContact CD2-CG2 4.11Å
385	A	97.2	Very high	87.4	Confident	2 Å²	2	36.7 Å²	36.7	2%	0.017	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.8	174	0	0	0	0	0	110.8	I345 F346 L347 L348 R392 V393 V430	I345-A385 HydrophobicContact CD1-CB 4.26Å; I345-A385 HydrophobicContact CG1-CB 4.36Å; F346-A385 PolarHBondContact O-N 3.31Å; F346-A385 VanDerWaalsContact O-O 3.12Å; L347-A385 WeakPolarHBondContact CA-O 3.48Å; L347-A385 HydrophobicContact CD1-CB 3.81Å; L348-A385 PolarHBondContact N-O 2.67Å; A385-R392 CarbonylContact C-O 3.56Å; A385-R392 WeakPolarHBondContact CA-O 3.39Å; A385-R392 WeakPolarHBondContact CB-O 3.23Å; A385-V393 HydrophobicContact CB-CG2 4.36Å; A385-V430 HydrophobicContact CB-CG2 3.91Å
386	V	97.6	Very high	88.3	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	150.4	174.9	-68.2	0	0	0	0	110.1	L348 A391 R392 E394 L414	L348-V386 HydrophobicContact CB-CG1 4.22Å; L348-V386 HydrophobicContact CD2-CG1 4.31Å; L348-V386 CarbonylContact O-C 3.49Å; L348-V386 VanDerWaalsContact O-CA 3.26Å; L348-V386 WeakPolarHBondContact O-CA 3.39Å; V386-A391 WeakPolarHBondContact O-CA 3.46Å; V386-R392 HydrophobicContact CG2-CB 4.2Å; V386-R392 PolarHBondContact N-O 3Å; V386-R392 PolarHBondContact O-N 3.39Å; V386-E394 HydrophobicContact CG2-CG 4.08Å; V386-L414 HydrophobicContact CG1-CB 4.31Å; V386-L414 HydrophobicContact CG1-CD1 4.31Å; V386-L414 HydrophobicContact CG1-CD2 3.94Å; V386-L414 HydrophobicContact CG1-CG 4.41Å
387	F	97.8	Very high	89.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156.6	176.9	78.6	-77.6	0	0	0	114.5	L347 L348 E349 G350 E390 A391 T421 A426 L454 A456	L347-F387 HydrophobicContact CD1-CB 4Å; L347-F387 HydrophobicContact CD1-CD1 3.59Å; L347-F387 HydrophobicContact CD1-CE1 4.48Å; L347-F387 HydrophobicContact CD1-CG 4.13Å; L347-F387 HydrophobicContact CD2-CD1 4.36Å; L347-F387 HydrophobicContact CG-CD1 3.62Å; L347-F387 HydrophobicContact CG-CE1 4.04Å; L347-F387 HydrophobicContact CG-CG 4.43Å; L348-F387 WeakPolarHBondContact O-CD1 3.47Å; L348-F387 PolarHBondContact O-N 2.98Å; E349-F387 HydrophobicContact CB-CD1 4.43Å; E349-F387 HydrophobicContact CB-CE1 3.65Å; E349-F387 HydrophobicContact CB-CE2 4.41Å; E349-F387 HydrophobicContact CB-CZ 3.63Å; E349-F387 HydrophobicContact CG-CE1 4.36Å; E349-F387 HydrophobicContact CG-CE2 4.27Å; E349-F387 HydrophobicContact CG-CZ 3.93Å; E349-F387 VanDerWaalsContact N-CE1 3.32Å; G350-F387 CarbonylContact C-O 3.54Å; G350-F387 PolarHBondContact N-O 3.03Å; F387-E390 CarbonylContact C-O 3.55Å; F387-E390 VanDerWaalsContact CA-O 3.32Å; F387-E390 WeakPolarHBondContact CA-O 3.48Å; F387-A391 HydrophobicContact CB-CB 4.02Å; F387-T421 HydrophobicContact CE2-CG2 3.98Å; F387-A426 HydrophobicContact CB-CB 3.46Å; F387-A426 VanDerWaalsContact CB-CB 3.46Å; F387-A426 HydrophobicContact CD1-CB 4.41Å; F387-A426 HydrophobicContact CD2-CB 3.72Å; F387-A426 HydrophobicContact CG-CB 3.61Å; F387-L454 HydrophobicContact CD1-CD1 4.49Å; F387-L454 HydrophobicContact CE1-CD1 3.55Å; F387-L454 HydrophobicContact CZ-CD1 3.73Å; F387-A456 HydrophobicContact CZ-CB 4.5Å
388	G	96.1	Very high	90.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-169.2	-121.4	175.6	0	0	0	0	0	107.2	E390 G418 L420 L422	G388-E390 PolarHBondContact N-O 3.08Å; G388-E390 PolarHBondContact O-N 3.31Å; G388-G418 CarbonylContact C-O 3.52Å; G388-G418 WeakPolarHBondContact CA-O 3.18Å; G388-L420 CarbonylContact C-O 3.45Å; G388-L420 WeakPolarHBondContact CA-O 3.4Å; G388-L422 WeakPolarHBondContact O-CB 3.44Å; G388-L422 PolarHBondContact O-N 3.49Å
389	G	93.3	Very high	91.1	Very high	34 Å²	34	39.2 Å²	39.2	35%	0.351	20%	0.198	S	C	.	.	S	Bend	trans	-65.6	-13.5	172.7	0	0	0	0	0	113.6	G418 L420 L422	G389-G418 PolarHBondContact N-O 2.75Å; G389-L420 PolarHBondContact N-O 3.39Å; G389-L422 WeakPolarHBondContact O-CD1 3.27Å
390	E	93.8	Very high	91.7	Very high	93 Å²	93	38.7 Å²	38.7	44%	0.435	19%	0.191	S	C	.	.	S	Bend	trans	-145.9	164.4	169.7	62.1	-175.9	148.4	0	0	109.2	F387 G388 R392 P417	F387-E390 CarbonylContact C-O 3.55Å; F387-E390 VanDerWaalsContact CA-O 3.32Å; F387-E390 WeakPolarHBondContact CA-O 3.48Å; G388-E390 PolarHBondContact N-O 3.08Å; G388-E390 PolarHBondContact O-N 3.31Å; E390-R392 IonicContact OE1-CZ 2.69Å; E390-R392 VanDerWaalsContact OE1-CZ 3.28Å; E390-R392 IonicContact OE1-NE 3.28Å; E390-R392 PolarHBondContact OE1-NE 2.93Å; E390-R392 IonicContact OE1-NH2 2.94Å; E390-R392 PolarHBondContact OE1-NH2 3.39Å; E390-R392 IonicContact OE2-NE 3.81Å; E390-R392 IonicContact OE2-NH2 3.27Å; E390-P417 HydrophobicContact CG-CB 4.22Å
391	A	95.7	Very high	91.7	Very high	17 Å²	17	44.7 Å²	44.7	14%	0.14	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.1	176.2	0	0	0	0	0	110.6	V386 F387 A426 H429	V386-A391 WeakPolarHBondContact O-CA 3.46Å; F387-A391 HydrophobicContact CB-CB 4.02Å; A391-A426 HydrophobicContact CB-CB 3.83Å; A391-H429 HydrophobicContact CB-CB 3.96Å; A391-H429 PolarHBondContact O-NE2 2.89Å
392	R	95.3	Very high	91	Very high	114 Å²	114	44.5 Å²	44.5	43%	0.43	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	130.9	-177.6	-60	-180	-175.4	169.9	-1.3	110.4	A385 V386 E390	A385-R392 CarbonylContact C-O 3.56Å; A385-R392 WeakPolarHBondContact CA-O 3.39Å; A385-R392 WeakPolarHBondContact CB-O 3.23Å; V386-R392 HydrophobicContact CG2-CB 4.2Å; V386-R392 PolarHBondContact N-O 3Å; V386-R392 PolarHBondContact O-N 3.39Å; E390-R392 IonicContact OE1-CZ 2.69Å; E390-R392 VanDerWaalsContact OE1-CZ 3.28Å; E390-R392 IonicContact OE1-NE 3.28Å; E390-R392 PolarHBondContact OE1-NE 2.93Å; E390-R392 IonicContact OE1-NH2 2.94Å; E390-R392 PolarHBondContact OE1-NH2 3.39Å; E390-R392 IonicContact OE2-NE 3.81Å; E390-R392 IonicContact OE2-NH2 3.27Å
393	V	94.5	Very high	90.7	Very high	38 Å²	38	47.2 Å²	47.2	23%	0.23	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	101.7	171.6	-178.6	0	0	0	0	108.5	I345 A385 H433	I345-V393 HydrophobicContact CD1-CG1 4.28Å; A385-V393 HydrophobicContact CB-CG2 4.36Å; V393-H433 HydrophobicContact CG2-CB 4.42Å
394	E	93.9	Very high	90.2	Very high	86 Å²	86	48.6 Å²	48.6	40%	0.402	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-31.2	-176.8	-66	-65.4	161	0	0	112.1	L384 V386 R399 L414	L384-E394 PolarHBondContact O-N 3.48Å; V386-E394 HydrophobicContact CG2-CG 4.08Å; E394-R399 PolarHBondContact O-NH1 3.47Å; E394-R399 VanDerWaalsContact O-NH1 3.11Å; E394-L414 HydrophobicContact CB-CD2 3.81Å; E394-L414 HydrophobicContact CG-CD2 3.65Å
395	A	92.3	Very high	89.7	Confident	2 Å²	2	57.6 Å²	57.6	2%	0.017	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	122.4	173.9	0	0	0	0	0	110.9	G383 L384 F400	G383-A395 CarbonylContact C-O 3.58Å; G383-A395 VanDerWaalsContact CA-O 3.22Å; G383-A395 WeakPolarHBondContact CA-O 3.45Å; L384-A395 HydrophobicContact CB-CB 4.05Å; L384-A395 HydrophobicContact CD1-CB 4.42Å; L384-A395 HydrophobicContact CG-CB 4.29Å; L384-A395 PolarHBondContact N-O 3.39Å; L384-A395 PolarHBondContact O-N 3.15Å; A395-F400 HydrophobicContact CB-CD2 4.24Å; A395-F400 HydrophobicContact CB-CE2 3.66Å
396	Q	90	Very high	89.3	Confident	109 Å²	109	60.5 Å²	60.5	51%	0.509	30%	0.303	S	S	.	.			trans	-64.4	149.6	171.5	-69.1	-178.2	-4.1	0	0	111.2	G398 R399 V436	Q396-G398 PolarHBondContact O-N 3.47Å; Q396-R399 VanDerWaalsContact O-CB 3.27Å; Q396-R399 WeakPolarHBondContact O-CB 3.48Å; Q396-R399 PolarHBondContact O-N 3.5Å; Q396-R399 VanDerWaalsContact O-N 3.17Å; Q396-V436 HydrophobicContact CB-CG2 4.31Å
397	V	87.9	Confident	89	Confident	15 Å²	15	60.6 Å²	60.6	9%	0.091	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	126	175.9	176.1	0	0	0	0	110	D343 I345 K381 G434 F435	D343-V397 HydrophobicContact CB-CG1 3.83Å; I345-V397 HydrophobicContact CB-CG2 4.12Å; I345-V397 HydrophobicContact CD1-CG2 4.44Å; K381-V397 HydrophobicContact CB-CG1 3.46Å; K381-V397 VanDerWaalsContact CB-CG1 3.46Å; K381-V397 HydrophobicContact CD-CG1 4.5Å; V397-G434 WeakPolarHBondContact CG2-O 3.32Å; V397-F435 HydrophobicContact CG2-CD1 3.92Å; V397-F435 HydrophobicContact CG2-CE1 4Å
398	G	82.8	Confident	88.6	Confident	24 Å²	24	61.9 Å²	61.9	25%	0.247	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	-9.4	178	0	0	0	0	0	115.2	V382 Q396 F400 K401	V382-G398 PolarHBondContact O-N 3.23Å; Q396-G398 PolarHBondContact O-N 3.47Å; G398-F400 PolarHBondContact O-N 3.24Å; G398-F400 VanDerWaalsContact O-N 3.09Å; G398-K401 PolarHBondContact O-N 3.13Å
399	R	84.6	Confident	88.4	Confident	167 Å²	167	67.7 Å²	67.7	63%	0.63	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-33.4	178.5	-179.4	179	179.2	-178.8	2.2	113.9	E394 Q396	E394-R399 PolarHBondContact O-NH1 3.47Å; E394-R399 VanDerWaalsContact O-NH1 3.11Å; Q396-R399 VanDerWaalsContact O-CB 3.27Å; Q396-R399 WeakPolarHBondContact O-CB 3.48Å; Q396-R399 PolarHBondContact O-N 3.5Å; Q396-R399 VanDerWaalsContact O-N 3.17Å
400	F	83.7	Confident	88.5	Confident	36 Å²	36	67.2 Å²	67.2	16%	0.158	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	22.9	-176.2	-58.9	-65.4	0	0	0	113.6	A395 G398 G402 N403 N406 L407 A410	A395-F400 HydrophobicContact CB-CD2 4.24Å; A395-F400 HydrophobicContact CB-CE2 3.66Å; G398-F400 PolarHBondContact O-N 3.24Å; G398-F400 VanDerWaalsContact O-N 3.09Å; F400-G402 PolarHBondContact O-N 3.39Å; F400-N403 PolarHBondContact O-N 2.92Å; F400-N406 HydrophobicContact CD1-CB 3.75Å; F400-N406 HydrophobicContact CE1-CB 3.95Å; F400-L407 HydrophobicContact CB-CB 3.92Å; F400-L407 HydrophobicContact CB-CD1 4.39Å; F400-L407 HydrophobicContact CD2-CB 4.3Å; F400-L407 HydrophobicContact CD2-CD1 3.78Å; F400-L407 HydrophobicContact CG-CB 4.23Å; F400-L407 HydrophobicContact CG-CD1 4.45Å; F400-A410 HydrophobicContact CE2-CB 3.67Å; F400-A410 HydrophobicContact CZ-CB 3.83Å
401	K	79.7	Confident	88.6	Confident	131 Å²	131	62.8 Å²	62.8	57%	0.57	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	129.4	179	-172.1	175.9	-178.7	175.7	0	110.6	K381 G398 N403	K381-K401 HydrophobicContact CG-CD 4.43Å; G398-K401 PolarHBondContact O-N 3.13Å; K401-N403 PolarHBondContact O-N 2.92Å
402	G	74.4	Confident	88.4	Confident	55 Å²	55	65.4 Å²	65.4	57%	0.567	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	5.8	-177.2	0	0	0	0	0	115.7	F400	F400-G402 PolarHBondContact O-N 3.39Å
403	N	84.7	Confident	88.4	Confident	66 Å²	66	63.1 Å²	63.1	35%	0.353	33%	0.325	S	S	.	.			trans	-132.9	69.8	-178.1	-163.2	-31.1	0	0	0	112.6	F400 K401 R405 N406 L407	F400-N403 PolarHBondContact O-N 2.92Å; K401-N403 PolarHBondContact O-N 2.92Å; N403-R405 PolarHBondContact O-N 3.41Å; N403-N406 PolarHBondContact ND2-ND2 3.05Å; N403-N406 PolarHBondContact O-N 3.2Å; N403-N406 WeakPolarHBondContact OD1-CB 3.24Å; N403-N406 PolarHBondContact OD1-N 3.47Å; N403-N406 VanDerWaalsContact OD1-N 3.12Å; N403-L407 PolarHBondContact O-N 3.06Å
404	T	83.1	Confident	88.5	Confident	30 Å²	30	61.5 Å²	61.5	18%	0.184	32%	0.315	C	S	.	.	H	α-helix	trans	-57.5	-32.5	179.6	-44.4	0	0	0	0	112.5	I374 N406 L407 L408	I374-T404 WeakPolarHBondContact O-CG2 3.49Å; T404-N406 PolarHBondContact O-N 3.2Å; T404-L407 WeakPolarHBondContact O-CB 3.45Å; T404-L407 PolarHBondContact O-N 3.47Å; T404-L408 HydrophobicContact CG2-CD1 4.29Å; T404-L408 HydrophobicContact CG2-CG 4.37Å; T404-L408 VanDerWaalsContact O-CG 3.28Å; T404-L408 WeakPolarHBondContact O-CG 3.29Å; T404-L408 PolarHBondContact O-N 3.4Å
405	R	86.3	Confident	88.5	Confident	190 Å²	190	63.7 Å²	63.7	72%	0.717	33%	0.325	S	S	*	.	H	α-helix	trans	-62.6	-43.3	179.4	-170.7	177.8	-175.1	-179	1.4	112.3	N403 K409	N403-R405 PolarHBondContact O-N 3.41Å; R405-K409 WeakPolarHBondContact O-CG 3.38Å; R405-K409 PolarHBondContact O-N 3.15Å
406	N	88.8	Confident	88.6	Confident	62 Å²	62	66 Å²	66	33%	0.332	34%	0.34	S	S	.	.	H	α-helix	trans	-73.9	-34.2	177.6	-75.9	-14	0	0	0	112.1	F400 N403 T404 L408 K409 A410	F400-N406 HydrophobicContact CD1-CB 3.75Å; F400-N406 HydrophobicContact CE1-CB 3.95Å; N403-N406 PolarHBondContact ND2-ND2 3.05Å; N403-N406 PolarHBondContact O-N 3.2Å; N403-N406 WeakPolarHBondContact OD1-CB 3.24Å; N403-N406 PolarHBondContact OD1-N 3.47Å; N403-N406 VanDerWaalsContact OD1-N 3.12Å; T404-N406 PolarHBondContact O-N 3.2Å; N406-L408 VanDerWaalsContact C-N 3.34Å; N406-L408 PolarHBondContact O-N 3.14Å; N406-K409 PolarHBondContact O-N 2.89Å; N406-A410 PolarHBondContact O-N 3.17Å
407	L	89.7	Confident	88.7	Confident	4 Å²	4	62.2 Å²	62.2	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-57.9	-46.6	171.5	179.8	62.6	0	0	0	111.3	L370 V382 L384 F400 N403 T404 K409 A410 V411	L370-L407 HydrophobicContact CD1-CD2 4.19Å; L370-L407 HydrophobicContact CD1-CG 4.18Å; L370-L407 HydrophobicContact CD2-CD2 4.11Å; V382-L407 HydrophobicContact CB-CD2 4.18Å; V382-L407 HydrophobicContact CG1-CD1 4.3Å; V382-L407 HydrophobicContact CG1-CD2 4.22Å; L384-L407 HydrophobicContact CD1-CD1 3.95Å; L384-L407 HydrophobicContact CD2-CD1 4.47Å; L384-L407 HydrophobicContact CG-CD1 4.18Å; F400-L407 HydrophobicContact CB-CB 3.92Å; F400-L407 HydrophobicContact CB-CD1 4.39Å; F400-L407 HydrophobicContact CD2-CB 4.3Å; F400-L407 HydrophobicContact CD2-CD1 3.78Å; F400-L407 HydrophobicContact CG-CB 4.23Å; F400-L407 HydrophobicContact CG-CD1 4.45Å; N403-L407 PolarHBondContact O-N 3.06Å; T404-L407 WeakPolarHBondContact O-CB 3.45Å; T404-L407 PolarHBondContact O-N 3.47Å; L407-K409 VanDerWaalsContact C-N 3.35Å; L407-K409 PolarHBondContact O-N 3.23Å; L407-A410 WeakPolarHBondContact O-CB 3.26Å; L407-A410 PolarHBondContact O-N 3.09Å; L407-A410 VanDerWaalsContact O-N 3.14Å; L407-V411 WeakPolarHBondContact O-CG2 3.44Å; L407-V411 PolarHBondContact O-N 2.71Å
408	L	91.1	Very high	88.9	Confident	27 Å²	27	62.5 Å²	62.5	14%	0.141	33%	0.331	C	S	.	.	H	α-helix	trans	-65.3	-35.9	178.1	-65.6	172.7	0	0	0	112.9	K367 L370 Q371 T404 N406 A410 V411 D412	K367-L408 HydrophobicContact CG-CD2 3.98Å; L370-L408 HydrophobicContact CB-CD2 3.99Å; Q371-L408 HydrophobicContact CG-CD1 3.52Å; Q371-L408 HydrophobicContact CG-CD2 3.63Å; Q371-L408 HydrophobicContact CG-CG 4.23Å; T404-L408 HydrophobicContact CG2-CD1 4.29Å; T404-L408 HydrophobicContact CG2-CG 4.37Å; T404-L408 VanDerWaalsContact O-CG 3.28Å; T404-L408 WeakPolarHBondContact O-CG 3.29Å; T404-L408 PolarHBondContact O-N 3.4Å; N406-L408 VanDerWaalsContact C-N 3.34Å; N406-L408 PolarHBondContact O-N 3.14Å; L408-A410 VanDerWaalsContact C-N 3.33Å; L408-V411 PolarHBondContact O-N 3.37Å; L408-D412 PolarHBondContact O-N 3.41Å
409	K	92.1	Very high	89.4	Confident	122 Å²	122	63.3 Å²	63.3	53%	0.53	34%	0.339	S	S	.	.	H	α-helix	trans	-63.1	-39.2	171.8	-73.9	179.9	177.9	-178.5	0	112.1	R405 N406 L407 V411 D412 A413	R405-K409 WeakPolarHBondContact O-CG 3.38Å; R405-K409 PolarHBondContact O-N 3.15Å; N406-K409 PolarHBondContact O-N 2.89Å; L407-K409 VanDerWaalsContact C-N 3.35Å; L407-K409 PolarHBondContact O-N 3.23Å; K409-V411 VanDerWaalsContact C-N 3.34Å; K409-D412 PolarHBondContact O-N 3.46Å; K409-A413 PolarHBondContact O-N 2.93Å; K409-A413 VanDerWaalsContact O-N 3.12Å
410	A	93.9	Very high	90	Very high	24 Å²	24	60.5 Å²	60.5	20%	0.198	34%	0.336	C	S	.	.	H	α-helix	trans	-64.8	-39.3	176.3	0	0	0	0	0	111.5	L384 F400 N406 L407 L408 A413 L414	L384-A410 HydrophobicContact CD1-CB 3.93Å; F400-A410 HydrophobicContact CE2-CB 3.67Å; F400-A410 HydrophobicContact CZ-CB 3.83Å; N406-A410 PolarHBondContact O-N 3.17Å; L407-A410 WeakPolarHBondContact O-CB 3.26Å; L407-A410 PolarHBondContact O-N 3.09Å; L407-A410 VanDerWaalsContact O-N 3.14Å; L408-A410 VanDerWaalsContact C-N 3.33Å; A410-A413 PolarHBondContact O-N 3.42Å; A410-L414 PolarHBondContact O-N 2.91Å
411	V	95.3	Very high	90.6	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61.5	-44.6	172.8	176.9	0	0	0	0	111.3	K363 L366 K367 L370 L384 L407 L408 K409 A413 L414	K363-V411 WeakPolarHBondContact CD-O 3.43Å; K363-V411 HydrophobicContact CG-CG1 3.99Å; L366-V411 HydrophobicContact CD2-CG1 4.16Å; L366-V411 HydrophobicContact CD2-CG2 4.31Å; L366-V411 HydrophobicContact CG-CG1 4.21Å; L366-V411 HydrophobicContact CG-CG2 4.35Å; K367-V411 HydrophobicContact CB-CG1 4.02Å; L370-V411 HydrophobicContact CD1-CG2 3.59Å; L384-V411 HydrophobicContact CD1-CG2 3.72Å; L384-V411 HydrophobicContact CD2-CG2 4.11Å; L407-V411 WeakPolarHBondContact O-CG2 3.44Å; L407-V411 PolarHBondContact O-N 2.71Å; L408-V411 PolarHBondContact O-N 3.37Å; K409-V411 VanDerWaalsContact C-N 3.34Å; V411-A413 PolarHBondContact O-N 3.12Å; V411-L414 HydrophobicContact CG1-CD1 4.46Å; V411-L414 WeakPolarHBondContact O-CB 3.33Å; V411-L414 WeakPolarHBondContact O-CG 3.25Å; V411-L414 PolarHBondContact O-N 3.32Å
412	D	93.6	Very high	91.4	Very high	71 Å²	71	54 Å²	54	38%	0.38	31%	0.31	S	S	.	.	H	α-helix	trans	-61	-33.3	178.8	-76.3	-32.3	0	0	0	112.4	K363 K367 L408 K409	K363-D412 PolarHBondContact NZ-O 3.02Å; K367-D412 WeakPolarHBondContact CD-OD1 3.41Å; K367-D412 WeakPolarHBondContact CE-OD1 3.45Å; K367-D412 IonicContact NZ-OD1 2.87Å; K367-D412 PolarHBondContact NZ-OD1 2.77Å; K367-D412 IonicContact NZ-OD2 2.75Å; K367-D412 PolarHBondContact NZ-OD2 2.62Å; L408-D412 PolarHBondContact O-N 3.41Å; K409-D412 PolarHBondContact O-N 3.46Å
413	A	95.1	Very high	92.5	Very high	67 Å²	67	51.4 Å²	51.4	55%	0.554	28%	0.283	S	S	*	.	H	α-helix	trans	-77.5	-12	179.6	0	0	0	0	0	114.8	K409 A410 V411 Q415	K409-A413 PolarHBondContact O-N 2.93Å; K409-A413 VanDerWaalsContact O-N 3.12Å; A410-A413 PolarHBondContact O-N 3.42Å; V411-A413 PolarHBondContact O-N 3.12Å; A413-Q415 PolarHBondContact O-N 2.94Å
414	L	95.5	Very high	93.1	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.021	27%	0.267	C	S	.	.			trans	-59.2	130.9	-179.6	-64.1	176.4	0	0	0	111.5	L348 F359 K363 L366 V386 E394 A410 V411	L348-L414 HydrophobicContact CD2-CD1 3.92Å; F359-L414 HydrophobicContact CZ-CB 4.36Å; K363-L414 HydrophobicContact CD-CB 4.33Å; L366-L414 HydrophobicContact CD2-CD1 4.17Å; V386-L414 HydrophobicContact CG1-CB 4.31Å; V386-L414 HydrophobicContact CG1-CD1 4.31Å; V386-L414 HydrophobicContact CG1-CD2 3.94Å; V386-L414 HydrophobicContact CG1-CG 4.41Å; E394-L414 HydrophobicContact CB-CD2 3.81Å; E394-L414 HydrophobicContact CG-CD2 3.65Å; A410-L414 PolarHBondContact O-N 2.91Å; V411-L414 HydrophobicContact CG1-CD1 4.46Å; V411-L414 WeakPolarHBondContact O-CB 3.33Å; V411-L414 WeakPolarHBondContact O-CG 3.25Å; V411-L414 PolarHBondContact O-N 3.32Å
415	Q	93.8	Very high	93.7	Very high	131 Å²	131	52 Å²	52	61%	0.612	28%	0.282	S	S	*	.			trans	-115.9	144.8	177	-61.6	-59.6	-34.6	0	0	110.5	A413	A413-Q415 PolarHBondContact O-N 2.94Å
416	P	94.5	Very high	94.2	Very high	51 Å²	51	43 Å²	43	33%	0.331	25%	0.248	S	C	.	.			trans	-72.2	127.7	177.4	28.8	-31.4	0	0	0	110.4	G350 F359 G418	G350-P416 CarbonylContact O-C 3.6Å; G350-P416 WeakPolarHBondContact O-CB 3.32Å; F359-P416 HydrophobicContact CD1-CB 4.29Å; F359-P416 HydrophobicContact CD1-CG 4.23Å; F359-P416 HydrophobicContact CD2-CB 3.98Å; F359-P416 HydrophobicContact CE1-CB 4.36Å; F359-P416 HydrophobicContact CE1-CG 4.28Å; F359-P416 HydrophobicContact CE2-CB 4.05Å; F359-P416 HydrophobicContact CG-CB 4.1Å; F359-P416 HydrophobicContact CG-CG 4.47Å; F359-P416 HydrophobicContact CZ-CB 4.25Å; P416-G418 VanDerWaalsContact C-N 3.25Å; P416-G418 PolarHBondContact O-N 3.12Å
417	P	91.4	Very high	94.6	Very high	29 Å²	29	40.1 Å²	40.1	19%	0.188	23%	0.233	C	C	.	.			trans	-69.1	-18.2	177.5	25.7	-34.2	0	0	0	114.1	G350 E390	G350-P417 VanDerWaalsContact O-CD 3.24Å; G350-P417 WeakPolarHBondContact O-CD 3.38Å; E390-P417 HydrophobicContact CG-CB 4.22Å
418	G	92.3	Very high	94.8	Very high	22 Å²	22	43.8 Å²	43.8	23%	0.227	25%	0.246	C	C	.	.			trans	74	-162.7	-174.9	0	0	0	0	0	112.7	G350 G388 G389 P416	G350-G418 WeakPolarHBondContact O-CA 3.46Å; G350-G418 PolarHBondContact O-N 2.96Å; G388-G418 CarbonylContact C-O 3.52Å; G388-G418 WeakPolarHBondContact CA-O 3.18Å; G389-G418 PolarHBondContact N-O 2.75Å; P416-G418 VanDerWaalsContact C-N 3.25Å; P416-G418 PolarHBondContact O-N 3.12Å
419	G	94.8	Very high	95	Very high	40 Å²	40	45.5 Å²	45.5	41%	0.412	25%	0.253	S	S	.	.	S	Bend	trans	75.1	-167.9	178.6	0	0	0	0	0	115.4	A352	A352-G419 WeakPolarHBondContact CB-O 3.05Å; A352-G419 PolarHBondContact N-O 2.93Å
420	L	95.6	Very high	95.1	Very high	108 Å²	108	39.7 Å²	39.7	57%	0.565	23%	0.228	S	C	*	.	S	Bend	trans	-73.7	157.9	179.4	-63.3	175.9	0	0	0	111.7	G388 G389 L422 A461	G388-L420 CarbonylContact C-O 3.45Å; G388-L420 WeakPolarHBondContact CA-O 3.4Å; G389-L420 PolarHBondContact N-O 3.39Å; L420-L422 VanDerWaalsContact C-N 3.34Å; L420-L422 HydrophobicContact CB-CD2 4.23Å; L420-L422 HydrophobicContact CB-CG 4.29Å; L420-L422 PolarHBondContact O-N 2.94Å; L420-A461 HydrophobicContact CB-CB 4.13Å
421	T	96.3	Very high	95	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.025	22%	0.223	C	C	.	.			trans	-77.9	76.9	177.6	-46.7	0	0	0	0	111.4	E349 S351 T353 F387 T423 T458 P459 A460 A461	E349-T421 HydrophobicContact CG-CG2 4.36Å; E349-T421 PolarHBondContact OE1-OG1 2.85Å; S351-T421 PolarHBondContact OG-OG1 2.79Å; T353-T421 PolarHBondContact OG1-OG1 2.67Å; F387-T421 HydrophobicContact CE2-CG2 3.98Å; T421-T423 VanDerWaalsContact C-N 3.3Å; T421-T423 PolarHBondContact O-N 3.1Å; T421-T458 WeakPolarHBondContact CG2-OG1 3.2Å; T421-T458 PolarHBondContact OG1-OG1 3.08Å; T421-P459 WeakPolarHBondContact CB-O 3.38Å; T421-A460 WeakPolarHBondContact O-CA 3.06Å; T421-A461 PolarHBondContact O-N 2.75Å
422	L	97.4	Very high	94.8	Very high	27 Å²	27	46.3 Å²	46.3	14%	0.141	25%	0.25	C	C	.	.			trans	-85.2	66.3	-177.9	-57.4	178.6	0	0	0	112.2	G388 G389 L420 G424 Q425 A426 A461 D462	G388-L422 WeakPolarHBondContact O-CB 3.44Å; G388-L422 PolarHBondContact O-N 3.49Å; G389-L422 WeakPolarHBondContact O-CD1 3.27Å; L420-L422 VanDerWaalsContact C-N 3.34Å; L420-L422 HydrophobicContact CB-CD2 4.23Å; L420-L422 HydrophobicContact CB-CG 4.29Å; L420-L422 PolarHBondContact O-N 2.94Å; L422-G424 VanDerWaalsContact C-N 3.34Å; L422-G424 PolarHBondContact O-N 3.17Å; L422-Q425 HydrophobicContact CB-CB 4.22Å; L422-Q425 PolarHBondContact O-N 2.56Å; L422-A426 WeakPolarHBondContact O-CB 3.16Å; L422-A426 PolarHBondContact O-N 3.18Å; L422-A461 HydrophobicContact CD2-CB 4.31Å; L422-D462 VanDerWaalsContact C-OD1 3.26Å; L422-D462 WeakPolarHBondContact CA-OD1 3.47Å; L422-D462 HydrophobicContact CD2-CB 3.96Å
423	T	97.3	Very high	94.6	Very high	1 Å²	1	48 Å²	48	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-59.5	-40.6	-178	-56.4	0	0	0	0	112.4	T421 A426 L427 L454 D462 V464 I493	T421-T423 VanDerWaalsContact C-N 3.3Å; T421-T423 PolarHBondContact O-N 3.1Å; T423-A426 PolarHBondContact O-N 3.06Å; T423-L427 HydrophobicContact CG2-CD1 4.25Å; T423-L427 WeakPolarHBondContact O-CG 2.83Å; T423-L427 PolarHBondContact O-N 2.99Å; T423-L454 HydrophobicContact CG2-CD1 4.31Å; T423-L454 HydrophobicContact CG2-CD2 3.73Å; T423-D462 PolarHBondContact N-OD1 3.28Å; T423-V464 HydrophobicContact CG2-CG1 4.02Å; T423-I493 HydrophobicContact CG2-CD1 3.97Å
424	G	96.3	Very high	94.2	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-48.1	-179.5	0	0	0	0	0	112.4	L422 A426 L427 R428 D462 A467	L422-G424 VanDerWaalsContact C-N 3.34Å; L422-G424 PolarHBondContact O-N 3.17Å; G424-A426 VanDerWaalsContact C-N 3.31Å; G424-A426 PolarHBondContact O-N 3.13Å; G424-L427 PolarHBondContact O-N 3.32Å; G424-R428 PolarHBondContact O-N 2.92Å; G424-R428 VanDerWaalsContact O-N 3.12Å; G424-D462 VanDerWaalsContact CA-OD2 3.26Å; G424-D462 WeakPolarHBondContact CA-OD2 3.29Å; G424-D462 PolarHBondContact N-OD1 2.72Å; G424-D462 PolarHBondContact N-OD2 3.37Å; G424-D462 VanDerWaalsContact N-OD2 3.12Å; G424-A467 WeakPolarHBondContact O-CB 3.42Å
425	Q	96.3	Very high	93.8	Very high	107 Å²	107	45.4 Å²	45.4	50%	0.5	23%	0.231	S	C	.	.	H	α-helix	trans	-61.5	-39.7	174.1	-68.7	-174.4	28.1	0	0	112	L422 R428 H429 D462	L422-Q425 HydrophobicContact CB-CB 4.22Å; L422-Q425 PolarHBondContact O-N 2.56Å; Q425-R428 PolarHBondContact O-N 3.31Å; Q425-H429 WeakPolarHBondContact O-CB 3.41Å; Q425-H429 PolarHBondContact O-N 3.18Å; Q425-D462 PolarHBondContact N-OD2 2.87Å
426	A	97.3	Very high	92.6	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-45.1	177.3	0	0	0	0	0	112.5	L347 F387 A391 L422 T423 G424 R428 H429 V430	L347-A426 HydrophobicContact CD1-CB 4.49Å; L347-A426 HydrophobicContact CD2-CB 4.06Å; F387-A426 HydrophobicContact CB-CB 3.46Å; F387-A426 VanDerWaalsContact CB-CB 3.46Å; F387-A426 HydrophobicContact CD1-CB 4.41Å; F387-A426 HydrophobicContact CD2-CB 3.72Å; F387-A426 HydrophobicContact CG-CB 3.61Å; A391-A426 HydrophobicContact CB-CB 3.83Å; L422-A426 WeakPolarHBondContact O-CB 3.16Å; L422-A426 PolarHBondContact O-N 3.18Å; T423-A426 PolarHBondContact O-N 3.06Å; G424-A426 VanDerWaalsContact C-N 3.31Å; G424-A426 PolarHBondContact O-N 3.13Å; A426-R428 VanDerWaalsContact C-N 3.34Å; A426-R428 PolarHBondContact O-N 3.04Å; A426-H429 PolarHBondContact O-N 3.47Å; A426-V430 PolarHBondContact O-N 3.14Å
427	L	96.8	Very high	90.7	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-42.7	175.2	-72.8	170.4	0	0	0	111.7	L347 T423 G424 T431 V452 A467 S468 L478 I493	L347-L427 HydrophobicContact CD2-CD2 4.25Å; T423-L427 HydrophobicContact CG2-CD1 4.25Å; T423-L427 WeakPolarHBondContact O-CG 2.83Å; T423-L427 PolarHBondContact O-N 2.99Å; G424-L427 PolarHBondContact O-N 3.32Å; L427-T431 VanDerWaalsContact O-CB 3.24Å; L427-T431 WeakPolarHBondContact O-CB 3.43Å; L427-T431 PolarHBondContact O-N 3.37Å; L427-T431 PolarHBondContact O-OG1 3Å; L427-V452 HydrophobicContact CD2-CG1 4.41Å; L427-A467 HydrophobicContact CB-CB 4.28Å; L427-S468 WeakPolarHBondContact CD1-OG 3.2Å; L427-L478 HydrophobicContact CD2-CD2 4.02Å; L427-I493 HydrophobicContact CD1-CG2 3.9Å
428	R	95.1	Very high	88.4	Confident	81 Å²	81	52.7 Å²	52.7	31%	0.306	28%	0.275	S	S	.	.	H	α-helix	trans	-62.5	-43	175.2	-72.1	177.8	-178	175.3	1.1	112.2	G424 Q425 A426 R432 E466 A467 Y470	G424-R428 PolarHBondContact O-N 2.92Å; G424-R428 VanDerWaalsContact O-N 3.12Å; Q425-R428 PolarHBondContact O-N 3.31Å; A426-R428 VanDerWaalsContact C-N 3.34Å; A426-R428 PolarHBondContact O-N 3.04Å; R428-R432 WeakPolarHBondContact O-CG 3.43Å; R428-R432 PolarHBondContact O-N 3.43Å; R428-E466 IonicContact CZ-OE2 3.57Å; R428-E466 IonicContact NH2-OE1 2.67Å; R428-E466 IonicContact NH2-OE2 2.73Å; R428-E466 PolarHBondContact NH2-OE2 3.42Å; R428-A467 HydrophobicContact CG-CB 3.86Å; R428-Y470 HydrophobicContact CG-CD1 4.41Å
429	H	95.3	Very high	85.9	Confident	63 Å²	63	57 Å²	57	29%	0.292	30%	0.3	S	S	.	.	H	α-helix	trans	-64.6	-50.6	-179.5	-175.1	86.1	0	0	0	111.3	A391 Q425 A426 T431 R432 H433	A391-H429 HydrophobicContact CB-CB 3.96Å; A391-H429 PolarHBondContact O-NE2 2.89Å; Q425-H429 WeakPolarHBondContact O-CB 3.41Å; Q425-H429 PolarHBondContact O-N 3.18Å; A426-H429 PolarHBondContact O-N 3.47Å; H429-T431 VanDerWaalsContact C-N 3.31Å; H429-T431 PolarHBondContact O-N 2.92Å; H429-R432 PolarHBondContact O-N 2.94Å; H429-R432 VanDerWaalsContact O-N 3.1Å; H429-H433 AromaticContact CE1-CD2 3.52Å; H429-H433 AromaticContact ND1-CD2 3.53Å; H429-H433 AromaticContact NE2-CD2 3.97Å; H429-H433 WeakPolarHBondContact O-CB 3.43Å; H429-H433 PolarHBondContact O-CD2 2.91Å; H429-H433 PolarHBondContact O-N 3.44Å
430	V	94.3	Very high	83.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.9	-36.6	178.1	171.2	0	0	0	0	111.9	I345 L347 A385 A426 R432 G434 V452	I345-V430 HydrophobicContact CD1-CG1 4.01Å; I345-V430 HydrophobicContact CG1-CG1 4.4Å; I345-V430 HydrophobicContact CG2-CG1 3.64Å; L347-V430 HydrophobicContact CD1-CG2 3.83Å; L347-V430 HydrophobicContact CD2-CG2 4.07Å; L347-V430 HydrophobicContact CG-CG2 4.44Å; A385-V430 HydrophobicContact CB-CG2 3.91Å; A426-V430 PolarHBondContact O-N 3.14Å; V430-R432 PolarHBondContact O-N 3.47Å; V430-G434 VanDerWaalsContact O-CA 3.24Å; V430-G434 WeakPolarHBondContact O-CA 3.34Å; V430-G434 PolarHBondContact O-N 3.1Å; V430-V452 HydrophobicContact CG1-CG2 4.02Å
431	T	90.6	Very high	81	Confident	15 Å²	15	66.2 Å²	66.2	9%	0.092	34%	0.335	C	S	.	.	H	α-helix	trans	-59.8	-34.5	174.4	-62.9	0	0	0	0	112.4	L427 H429 Y470 A471 R474 I476	L427-T431 VanDerWaalsContact O-CB 3.24Å; L427-T431 WeakPolarHBondContact O-CB 3.43Å; L427-T431 PolarHBondContact O-N 3.37Å; L427-T431 PolarHBondContact O-OG1 3Å; H429-T431 VanDerWaalsContact C-N 3.31Å; H429-T431 PolarHBondContact O-N 2.92Å; T431-Y470 HydrophobicContact CG2-CD1 3.7Å; T431-Y470 HydrophobicContact CG2-CE1 3.45Å; T431-Y470 VanDerWaalsContact CG2-CE1 3.45Å; T431-A471 WeakPolarHBondContact OG1-CB 3.42Å; T431-R474 HydrophobicContact CG2-CB 4.43Å; T431-R474 VanDerWaalsContact CG2-CD 3.48Å; T431-I476 HydrophobicContact CG2-CD1 3.72Å
432	R	90.4	Very high	78.1	Confident	148 Å²	148	70.4 Å²	70.4	56%	0.558	37%	0.37	S	S	*	.	H	α-helix	trans	-88.6	-33.1	-178.2	-70.8	177.1	-177.1	170.8	2	114	R428 H429 V430 Y470	R428-R432 WeakPolarHBondContact O-CG 3.43Å; R428-R432 PolarHBondContact O-N 3.43Å; H429-R432 PolarHBondContact O-N 2.94Å; H429-R432 VanDerWaalsContact O-N 3.1Å; V430-R432 PolarHBondContact O-N 3.47Å; R432-Y470 HydrophobicContact CG-CE1 4.28Å; R432-Y470 PolarHBondContact NE-OH 3.44Å; R432-Y470 VanDerWaalsContact NE-OH 3.15Å
433	H	90.3	Very high	75.4	Confident	106 Å²	106	76.9 Å²	76.9	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-123.6	-11.2	-166.5	-57.1	-65	0	0	0	114	V393 H429	V393-H433 HydrophobicContact CG2-CB 4.42Å; H429-H433 AromaticContact CE1-CD2 3.52Å; H429-H433 AromaticContact ND1-CD2 3.53Å; H429-H433 AromaticContact NE2-CD2 3.97Å; H429-H433 WeakPolarHBondContact O-CB 3.43Å; H429-H433 PolarHBondContact O-CD2 2.91Å; H429-H433 PolarHBondContact O-N 3.44Å
434	G	86	Confident	72.6	Confident	0 Å²	0	83.2 Å²	83.2	0%	0	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-34.6	-176.6	0	0	0	0	0	114	V397 V430	V397-G434 WeakPolarHBondContact CG2-O 3.32Å; V430-G434 VanDerWaalsContact O-CA 3.24Å; V430-G434 WeakPolarHBondContact O-CA 3.34Å; V430-G434 PolarHBondContact O-N 3.1Å
435	F	86.9	Confident	70	Confident	16 Å²	16	87.3 Å²	87.3	7%	0.07	47%	0.472	C	S	.	.	S	Bend	trans	-108.2	128	-179.2	-59.6	-83.3	0	0	0	109.9	D343 I345 V397 S437 R450 V452 I476	D343-F435 HydrophobicContact CB-CD1 4.13Å; D343-F435 HydrophobicContact CB-CE1 4.08Å; D343-F435 WeakPolarHBondContact O-CE1 3.07Å; I345-F435 HydrophobicContact CB-CZ 4.29Å; I345-F435 HydrophobicContact CG2-CE1 4.34Å; I345-F435 HydrophobicContact CG2-CE2 3.87Å; I345-F435 HydrophobicContact CG2-CZ 3.55Å; V397-F435 HydrophobicContact CG2-CD1 3.92Å; V397-F435 HydrophobicContact CG2-CE1 4Å; F435-S437 PolarHBondContact O-N 2.8Å; F435-R450 HydrophobicContact CD1-CB 4.06Å; F435-R450 HydrophobicContact CD1-CG 3.72Å; F435-R450 HydrophobicContact CE1-CB 3.75Å; F435-R450 HydrophobicContact CE1-CG 3.9Å; F435-R450 HydrophobicContact CE2-CB 4.36Å; F435-R450 HydrophobicContact CG-CG 4.16Å; F435-R450 HydrophobicContact CZ-CB 3.9Å; F435-R450 HydrophobicContact CZ-CG 4.47Å; F435-V452 HydrophobicContact CE2-CG2 3.91Å; F435-V452 HydrophobicContact CZ-CG2 4.09Å; F435-I476 HydrophobicContact CD2-CD1 3.93Å; F435-I476 HydrophobicContact CE2-CD1 3.85Å; F435-I476 HydrophobicContact CE2-CG1 4.36Å; F435-I476 HydrophobicContact CE2-CG2 4.11Å; F435-I476 HydrophobicContact CZ-CG2 4.45Å
436	V	70.2	Confident	67.5	Low	84 Å²	84	89.1 Å²	89.1	51%	0.509	49%	0.485	S	S	.	.			trans	-77	122.9	178.1	-175.6	0	0	0	0	108.6	Q396	Q396-V436 HydrophobicContact CB-CG2 4.31Å
437	S	53.2	Low	65.9	Low	108 Å²	108	95.5 Å²	95.5	76%	0.755	52%	0.519	S	S	*	.			trans	-85.7	107.6	166.2	-45	0	0	0	0	107.7	F435	F435-S437 PolarHBondContact O-N 2.8Å
438	E	43.4	Very low	64.5	Low	172 Å²	172	97.5 Å²	97.5	80%	0.804	53%	0.529	S	S	*	.			trans	-64.6	142	165.8	-81	-166.2	166.9	0	0	109.4	V440	E438-V440 PolarHBondContact O-N 2.93Å
439	P	41.3	Very low	63.6	Low	114 Å²	114	95.6 Å²	95.6	74%	0.74	53%	0.527	S	S	*	.			trans	-66.8	131.7	-179.9	25.3	-30.3	0	0	0	110.9	F441	P439-F441 VanDerWaalsContact C-N 3.27Å; P439-F441 PolarHBondContact O-N 3.29Å
440	V	42.2	Very low	63.2	Low	133 Å²	133	96 Å²	96	81%	0.806	53%	0.526	S	S	*	.	S	Bend	trans	-59.8	72.3	-179.6	-173.6	0	0	0	0	112	E438	E438-V440 PolarHBondContact O-N 2.93Å
441	F	44.6	Very low	63	Low	208 Å²	208	96 Å²	96	91%	0.912	53%	0.526	S	S	*	.			trans	-151.7	60.6	163.8	-72.1	-68.6	0	0	0	111.3	P439	P439-F441 VanDerWaalsContact C-N 3.27Å; P439-F441 PolarHBondContact O-N 3.29Å
442	A	34.1	Very low	63.3	Low	91 Å²	91	95.4 Å²	95.4	75%	0.752	52%	0.523	S	S	*	.	S	Bend	trans	-154.7	125.5	151.6	0	0	0	0	0	107.3
443	D	42.2	Very low	63.6	Low	164 Å²	164	88.4 Å²	88.4	88%	0.877	50%	0.496	S	S	*	.	S	Bend	trans	-53.2	142.3	168	-80.3	-50.1	0	0	0	109.8
444	V	38.7	Very low	64	Low	133 Å²	133	83.5 Å²	83.5	81%	0.806	47%	0.474	S	S	*	.			trans	88.3	93.4	-178.1	-165.5	0	0	0	0	113.9
445	S	40.3	Very low	64.6	Low	88 Å²	88	83.6 Å²	83.6	62%	0.615	47%	0.474	S	S	*	.			trans	-85	112.5	170.7	89.3	0	0	0	0	111.1	D447	S445-D447 WeakPolarHBondContact CB-OD2 3.42Å; S445-D447 PolarHBondContact O-N 2.91Å; S445-D447 PolarHBondContact OG-OD2 2.99Å
446	D	45.5	Very low	65	Low	144 Å²	144	82.9 Å²	82.9	77%	0.77	47%	0.471	S	S	*	.			trans	-82.4	63.6	156.9	-86.6	-24.4	0	0	0	108.2	L448	D446-L448 PolarHBondContact O-N 3.26Å
447	D	61.7	Low	66.2	Low	136 Å²	136	79.3 Å²	79.3	73%	0.727	45%	0.45	S	S	*	.			trans	-77	92.8	177.4	-76.1	-39.3	0	0	0	110	S445	S445-D447 WeakPolarHBondContact CB-OD2 3.42Å; S445-D447 PolarHBondContact O-N 2.91Å; S445-D447 PolarHBondContact OG-OD2 2.99Å
448	L	67.5	Low	68.2	Low	44 Å²	44	75 Å²	75	23%	0.23	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-63.4	144.3	174.1	-63.2	-177.7	0	0	0	111	D446 R450	D446-L448 PolarHBondContact O-N 3.26Å; L448-R450 PolarHBondContact O-N 3.38Å
449	P	76.6	Confident	70.8	Confident	41 Å²	41	70.5 Å²	70.5	27%	0.266	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-55.7	133.1	175.1	-24.3	32.5	0	0	0	112.2	S341 I342 D343 V523	S341-P449 WeakPolarHBondContact O-CD 3.01Å; I342-P449 HydrophobicContact CG2-CB 4.13Å; I342-P449 HydrophobicContact CG2-CG 4.31Å; D343-P449 PolarHBondContact N-O 2.75Å; P449-V523 HydrophobicContact CB-CG1 3.82Å
450	R	87	Confident	73.4	Confident	72 Å²	72	66 Å²	66	27%	0.272	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	121.6	-178.4	-68.8	175.7	-70.9	-171.6	-10.4	110.9	D343 F435 L448 R474 E475 I476 F477	D343-R450 HydrophobicContact CB-CG 4.27Å; D343-R450 CarbonylContact O-C 3.57Å; D343-R450 WeakPolarHBondContact O-CA 3.32Å; F435-R450 HydrophobicContact CD1-CB 4.06Å; F435-R450 HydrophobicContact CD1-CG 3.72Å; F435-R450 HydrophobicContact CE1-CB 3.75Å; F435-R450 HydrophobicContact CE1-CG 3.9Å; F435-R450 HydrophobicContact CE2-CB 4.36Å; F435-R450 HydrophobicContact CG-CG 4.16Å; F435-R450 HydrophobicContact CZ-CB 3.9Å; F435-R450 HydrophobicContact CZ-CG 4.47Å; L448-R450 PolarHBondContact O-N 3.38Å; R450-R474 VanDerWaalsContact CZ-O 3.26Å; R450-R474 PolarHBondContact NH2-O 3.47Å; R450-E475 IonicContact NH2-OE2 3.26Å; R450-I476 HydrophobicContact CB-CG1 4.23Å; R450-I476 WeakPolarHBondContact O-CA 3.4Å; R450-F477 WeakPolarHBondContact O-CD2 3.29Å; R450-F477 PolarHBondContact O-N 3.1Å
451	V	91.1	Very high	76	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.7	-175	-173.3	0	0	0	0	110.6	I342 D343 L344 I345 V453 F477 I479 V523	I342-V451 HydrophobicContact CD1-CG2 4.19Å; D343-V451 PolarHBondContact O-N 3.21Å; L344-V451 CarbonylContact C-O 3.58Å; L344-V451 WeakPolarHBondContact CA-O 3.27Å; L344-V451 HydrophobicContact CD1-CB 3.86Å; L344-V451 HydrophobicContact CD1-CG1 3.84Å; I345-V451 PolarHBondContact N-O 3.47Å; V451-V453 HydrophobicContact CG1-CG2 4.37Å; V451-F477 CarbonylContact C-O 3.55Å; V451-F477 WeakPolarHBondContact CA-O 3.41Å; V451-F477 HydrophobicContact CG2-CB 4.24Å; V451-I479 HydrophobicContact CG1-CD1 3.82Å; V451-I479 HydrophobicContact CG1-CG1 4.27Å; V451-V523 HydrophobicContact CG2-CB 4.48Å; V451-V523 HydrophobicContact CG2-CG1 4.25Å; V451-V523 HydrophobicContact CG2-CG2 3.93Å
452	V	95.9	Very high	78.4	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.012	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.1	168.5	176.8	0	0	0	0	108.5	I345 L347 L427 V430 F435 I476 F477 L478 I479	I345-V452 HydrophobicContact CG2-CB 4.13Å; I345-V452 HydrophobicContact CG2-CG1 4.33Å; I345-V452 HydrophobicContact CG2-CG2 3.53Å; I345-V452 WeakPolarHBondContact O-CA 3.43Å; L347-V452 HydrophobicContact CB-CG1 4.17Å; L347-V452 HydrophobicContact CD2-CG1 4.5Å; L427-V452 HydrophobicContact CD2-CG1 4.41Å; V430-V452 HydrophobicContact CG1-CG2 4.02Å; F435-V452 HydrophobicContact CE2-CG2 3.91Å; F435-V452 HydrophobicContact CZ-CG2 4.09Å; V452-I476 HydrophobicContact CB-CG2 4.26Å; V452-I476 HydrophobicContact CG2-CG2 3.42Å; V452-I476 VanDerWaalsContact CG2-CG2 3.42Å; V452-F477 PolarHBondContact N-O 3.23Å; V452-L478 HydrophobicContact CB-CD2 3.8Å; V452-L478 HydrophobicContact CG1-CD2 4.31Å; V452-L478 HydrophobicContact CG2-CD2 4.24Å; V452-I479 PolarHBondContact O-N 2.92Å
453	V	97.8	Very high	81.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	106.4	169.2	178.4	0	0	0	0	108.4	L344 I345 F346 L347 V451 L455 I479 V481 L516 I520	L344-V453 HydrophobicContact CD1-CG2 3.66Å; I345-V453 PolarHBondContact O-N 3.43Å; F346-V453 HydrophobicContact CD1-CB 3.69Å; F346-V453 HydrophobicContact CD1-CG1 3.75Å; F346-V453 HydrophobicContact CD1-CG2 4.43Å; F346-V453 HydrophobicContact CE1-CB 3.8Å; F346-V453 HydrophobicContact CE1-CG1 3.7Å; F346-V453 HydrophobicContact CE1-CG2 4.11Å; F346-V453 HydrophobicContact CG-CB 4.46Å; L347-V453 PolarHBondContact N-O 3.5Å; V451-V453 HydrophobicContact CG1-CG2 4.37Å; V453-L455 HydrophobicContact CG1-CD2 3.87Å; V453-L455 HydrophobicContact CG1-CG 4.41Å; V453-I479 CarbonylContact C-O 3.6Å; V453-I479 WeakPolarHBondContact CA-O 3.16Å; V453-I479 HydrophobicContact CG2-CB 4.22Å; V453-I479 HydrophobicContact CG2-CD1 4.49Å; V453-V481 HydrophobicContact CG1-CG2 3.9Å; V453-L516 HydrophobicContact CG1-CD1 4.03Å; V453-L516 HydrophobicContact CG1-CD2 4.29Å; V453-L516 HydrophobicContact CG2-CD1 4.36Å; V453-I520 HydrophobicContact CG2-CD1 3.92Å; V453-I520 HydrophobicContact CG2-CG1 4.01Å
454	L	98.3	Very high	83.5	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	115.5	176.2	174.5	66.5	0	0	0	109.7	L347 F387 T423 A456 I479 V481 L490 I493	L347-L454 HydrophobicContact CB-CD1 4.46Å; L347-L454 HydrophobicContact CD2-CD1 4Å; L347-L454 HydrophobicContact CG-CD1 4.06Å; F387-L454 HydrophobicContact CD1-CD1 4.49Å; F387-L454 HydrophobicContact CE1-CD1 3.55Å; F387-L454 HydrophobicContact CZ-CD1 3.73Å; T423-L454 HydrophobicContact CG2-CD1 4.31Å; T423-L454 HydrophobicContact CG2-CD2 3.73Å; L454-A456 HydrophobicContact CD1-CB 4.42Å; L454-A456 HydrophobicContact CG-CB 4.19Å; L454-I479 PolarHBondContact N-O 3.14Å; L454-V481 PolarHBondContact O-N 3.47Å; L454-L490 HydrophobicContact CD2-CD2 4.3Å; L454-I493 HydrophobicContact CD2-CD1 3.96Å; L454-I493 HydrophobicContact CD2-CG2 4.06Å
455	L	97.9	Very high	85.5	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	99.7	173.9	-56.9	180	0	0	0	108.8	F346 L347 L348 E349 F365 L366 V453 V481	F346-L455 HydrophobicContact CD1-CD1 4.27Å; L347-L455 PolarHBondContact O-N 3.26Å; L348-L455 HydrophobicContact CD1-CB 4.06Å; L348-L455 HydrophobicContact CD1-CD1 3.73Å; E349-L455 WeakPolarHBondContact CB-O 3.15Å; E349-L455 PolarHBondContact N-O 3.11Å; F365-L455 HydrophobicContact CD1-CD1 4.28Å; F365-L455 HydrophobicContact CD1-CD2 4.19Å; F365-L455 HydrophobicContact CE1-CD2 3.92Å; L366-L455 HydrophobicContact CB-CD1 4.21Å; V453-L455 HydrophobicContact CG1-CD2 3.87Å; V453-L455 HydrophobicContact CG1-CG 4.41Å; L455-V481 HydrophobicContact CD2-CB 3.56Å; L455-V481 HydrophobicContact CD2-CG1 4.06Å; L455-V481 HydrophobicContact CD2-CG2 3.65Å
456	A	96.3	Very high	87.5	Confident	2 Å²	2	46.3 Å²	46.3	2%	0.017	26%	0.262	C	S	.	.			trans	-128.2	138.3	-175.7	0	0	0	0	0	111.9	E349 F387 L454 V481 G482 P483	E349-A456 WeakPolarHBondContact OE2-CA 3.19Å; F387-A456 HydrophobicContact CZ-CB 4.5Å; L454-A456 HydrophobicContact CD1-CB 4.42Å; L454-A456 HydrophobicContact CG-CB 4.19Å; A456-V481 PolarHBondContact N-O 3.13Å; A456-V481 VanDerWaalsContact O-O 3.11Å; A456-G482 WeakPolarHBondContact O-CA 3.37Å; A456-P483 WeakPolarHBondContact O-CD 2.99Å
457	A	95.3	Very high	89.6	Confident	8 Å²	8	39.5 Å²	39.5	7%	0.066	23%	0.225	C	C	.	.	S	Bend	trans	-122	-12.8	180	0	0	0	0	0	113.3	E349 L354 L362 R485	E349-A457 PolarHBondContact OE2-N 2.64Å; L354-A457 HydrophobicContact CD1-CB 3.71Å; L362-A457 HydrophobicContact CD1-CB 4.37Å; A457-R485 PolarHBondContact O-NH2 2.85Å
458	T	95.6	Very high	90.7	Very high	19 Å²	19	33 Å²	33	12%	0.117	19%	0.19	C	C	.	.	S	Bend	trans	-120.7	154.7	172.9	75.9	0	0	0	0	112.5	E349 T353 L354 T421 L486	E349-T458 WeakPolarHBondContact OE1-CB 3.33Å; E349-T458 WeakPolarHBondContact OE1-CG2 3.47Å; E349-T458 PolarHBondContact OE1-OG1 3.19Å; E349-T458 PolarHBondContact OE2-N 3.19Å; T353-T458 PolarHBondContact OG1-OG1 3.42Å; L354-T458 HydrophobicContact CB-CG2 4.43Å; L354-T458 HydrophobicContact CD1-CG2 4.37Å; T421-T458 WeakPolarHBondContact CG2-OG1 3.2Å; T421-T458 PolarHBondContact OG1-OG1 3.08Å; T458-L486 WeakPolarHBondContact O-CD1 3.33Å
459	P	96.6	Very high	91	Very high	76 Å²	76	36.5 Å²	36.5	49%	0.494	20%	0.203	S	C	.	.			trans	-63	148.5	175.8	-17.2	29.1	0	0	0	112	T421 L486	T421-P459 WeakPolarHBondContact CB-O 3.38Å; P459-L486 HydrophobicContact CB-CD2 4.07Å; P459-L486 HydrophobicContact CG-CD2 3.71Å
460	A	96.6	Very high	91.3	Very high	21 Å²	21	36.9 Å²	36.9	17%	0.174	20%	0.2	C	C	.	.			trans	-65.2	142.9	174.8	0	0	0	0	0	112.4	T421 V464 E489	T421-A460 WeakPolarHBondContact O-CA 3.06Å; A460-V464 HydrophobicContact CB-CG1 3.38Å; A460-E489 WeakPolarHBondContact CB-OE1 3.27Å; A460-E489 PolarHBondContact N-OE1 3.2Å; A460-E489 PolarHBondContact N-OE2 2.94Å
461	A	96.4	Very high	91.1	Very high	64 Å²	64	33.5 Å²	33.5	53%	0.529	19%	0.187	S	C	.	.	S	Bend	trans	-93.2	-5.8	174.7	0	0	0	0	0	113.1	L420 T421 L422	L420-A461 HydrophobicContact CB-CB 4.13Å; T421-A461 PolarHBondContact O-N 2.75Å; L422-A461 HydrophobicContact CD2-CB 4.31Å
462	D	96.1	Very high	90.6	Very high	37 Å²	37	36.7 Å²	36.7	20%	0.198	20%	0.199	C	C	.	.	S	Bend	trans	-128.6	171.1	-179.1	66.9	-27.8	0	0	0	112.2	L422 T423 G424 Q425 V464	L422-D462 VanDerWaalsContact C-OD1 3.26Å; L422-D462 WeakPolarHBondContact CA-OD1 3.47Å; L422-D462 HydrophobicContact CD2-CB 3.96Å; T423-D462 PolarHBondContact N-OD1 3.28Å; G424-D462 VanDerWaalsContact CA-OD2 3.26Å; G424-D462 WeakPolarHBondContact CA-OD2 3.29Å; G424-D462 PolarHBondContact N-OD1 2.72Å; G424-D462 PolarHBondContact N-OD2 3.37Å; G424-D462 VanDerWaalsContact N-OD2 3.12Å; Q425-D462 PolarHBondContact N-OD2 2.87Å; D462-V464 PolarHBondContact O-N 2.85Å
463	D	91.1	Very high	89.5	Confident	91 Å²	91	41.8 Å²	41.8	49%	0.487	23%	0.227	S	C	.	.			trans	-69.8	123.1	177.2	178.8	45.5	0	0	0	111.4	V465 E466	D463-V465 PolarHBondContact OD1-N 2.99Å; D463-V465 VanDerWaalsContact OD1-N 3.16Å; D463-E466 WeakPolarHBondContact OD2-CB 3.45Å; D463-E466 PolarHBondContact OD2-N 3.47Å
464	V	91.2	Very high	88.4	Confident	12 Å²	12	46.9 Å²	46.9	7%	0.073	25%	0.246	C	C	.	.			trans	-98.1	-20.5	-179.8	-63	0	0	0	0	112.9	T423 A460 D462 S468 E489 I493	T423-V464 HydrophobicContact CG2-CG1 4.02Å; A460-V464 HydrophobicContact CB-CG1 3.38Å; D462-V464 PolarHBondContact O-N 2.85Å; V464-S468 WeakPolarHBondContact O-CB 3.36Å; V464-S468 PolarHBondContact O-N 2.89Å; V464-S468 PolarHBondContact O-OG 2.89Å; V464-E489 HydrophobicContact CG2-CG 4.31Å; V464-I493 HydrophobicContact CB-CD1 4.17Å; V464-I493 HydrophobicContact CB-CG1 3.77Å; V464-I493 HydrophobicContact CG1-CD1 4.2Å; V464-I493 HydrophobicContact CG1-CG1 4.34Å; V464-I493 HydrophobicContact CG2-CD1 4.24Å; V464-I493 HydrophobicContact CG2-CG1 3.75Å
465	V	81.1	Confident	87.1	Confident	76 Å²	76	53.4 Å²	53.4	46%	0.461	28%	0.276	S	S	.	.	H	α-helix	trans	-69.8	-48.5	-171.3	179.1	0	0	0	0	110.8	D463 S468 K469	D463-V465 PolarHBondContact OD1-N 2.99Å; D463-V465 VanDerWaalsContact OD1-N 3.16Å; V465-S468 PolarHBondContact O-N 3.3Å; V465-K469 WeakPolarHBondContact O-CB 3.48Å; V465-K469 PolarHBondContact O-N 3.48Å
466	E	82.3	Confident	86.3	Confident	123 Å²	123	53.5 Å²	53.5	58%	0.575	28%	0.277	S	S	*	.	H	α-helix	trans	-65.4	-42.9	179.6	-168.7	-168.8	178.6	0	0	111.4	R428 D463 K469 Y470	R428-E466 IonicContact CZ-OE2 3.57Å; R428-E466 IonicContact NH2-OE1 2.67Å; R428-E466 IonicContact NH2-OE2 2.73Å; R428-E466 PolarHBondContact NH2-OE2 3.42Å; D463-E466 WeakPolarHBondContact OD2-CB 3.45Å; D463-E466 PolarHBondContact OD2-N 3.47Å; E466-K469 PolarHBondContact O-N 2.98Å; E466-Y470 WeakPolarHBondContact O-CB 3.34Å; E466-Y470 PolarHBondContact O-N 3.05Å
467	A	90	Very high	85.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.2	-41.6	177.6	0	0	0	0	0	112.7	G424 L427 R428 Y470 A471	G424-A467 WeakPolarHBondContact O-CB 3.42Å; L427-A467 HydrophobicContact CB-CB 4.28Å; R428-A467 HydrophobicContact CG-CB 3.86Å; A467-Y470 WeakPolarHBondContact O-CB 3.46Å; A467-Y470 PolarHBondContact O-N 3.27Å; A467-A471 PolarHBondContact O-N 2.66Å; A467-A471 VanDerWaalsContact O-N 3.14Å
468	S	83.8	Confident	85.4	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.9	-38	177.9	-57.7	0	0	0	0	111.6	L427 V464 V465 A471 R472 I493	L427-S468 WeakPolarHBondContact CD1-OG 3.2Å; V464-S468 WeakPolarHBondContact O-CB 3.36Å; V464-S468 PolarHBondContact O-N 2.89Å; V464-S468 PolarHBondContact O-OG 2.89Å; V465-S468 PolarHBondContact O-N 3.3Å; S468-A471 PolarHBondContact O-N 3.36Å; S468-R472 WeakPolarHBondContact O-CG 2.95Å; S468-R472 PolarHBondContact O-N 2.86Å; S468-R472 VanDerWaalsContact O-N 3.09Å; S468-I493 VanDerWaalsContact CB-O 3.27Å; S468-I493 WeakPolarHBondContact CB-O 3.22Å; S468-I493 WeakPolarHBondContact OG-CA 3.25Å
469	K	75.2	Confident	85.3	Confident	117 Å²	117	55.1 Å²	55.1	51%	0.509	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-46.8	171.6	-174.2	-178.3	176.2	-178.4	0	111.1	V465 E466 A471 R472 D473	V465-K469 WeakPolarHBondContact O-CB 3.48Å; V465-K469 PolarHBondContact O-N 3.48Å; E466-K469 PolarHBondContact O-N 2.98Å; K469-A471 PolarHBondContact O-N 3.26Å; K469-R472 PolarHBondContact O-N 3.41Å; K469-R472 VanDerWaalsContact O-N 3.12Å; K469-D473 WeakPolarHBondContact O-CB 3.34Å; K469-D473 PolarHBondContact O-N 3.4Å
470	Y	81.8	Confident	85.2	Confident	50 Å²	50	51.5 Å²	51.5	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-56.9	-36.2	178.4	176.9	-95.6	0	0	0	113.7	R428 T431 R432 E466 A467 R474	R428-Y470 HydrophobicContact CG-CD1 4.41Å; T431-Y470 HydrophobicContact CG2-CD1 3.7Å; T431-Y470 HydrophobicContact CG2-CE1 3.45Å; T431-Y470 VanDerWaalsContact CG2-CE1 3.45Å; R432-Y470 HydrophobicContact CG-CE1 4.28Å; R432-Y470 PolarHBondContact NE-OH 3.44Å; R432-Y470 VanDerWaalsContact NE-OH 3.15Å; E466-Y470 WeakPolarHBondContact O-CB 3.34Å; E466-Y470 PolarHBondContact O-N 3.05Å; A467-Y470 WeakPolarHBondContact O-CB 3.46Å; A467-Y470 PolarHBondContact O-N 3.27Å; Y470-R474 VanDerWaalsContact CD2-NH1 3.29Å; Y470-R474 PolarHBondContact OH-NE 3.1Å; Y470-R474 PolarHBondContact OH-NH2 3.13Å
471	A	83.6	Confident	85.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-70	-47.5	174.3	0	0	0	0	0	112	T431 A467 S468 K469 D473 R474 I476 L478	T431-A471 WeakPolarHBondContact OG1-CB 3.42Å; A467-A471 PolarHBondContact O-N 2.66Å; A467-A471 VanDerWaalsContact O-N 3.14Å; S468-A471 PolarHBondContact O-N 3.36Å; K469-A471 PolarHBondContact O-N 3.26Å; A471-D473 PolarHBondContact O-N 3.47Å; A471-R474 CarbonylContact O-C 3.58Å; A471-R474 WeakPolarHBondContact O-CA 3.27Å; A471-R474 PolarHBondContact O-N 3.39Å; A471-I476 HydrophobicContact CB-CB 4.41Å; A471-I476 WeakPolarHBondContact O-CB 3.46Å; A471-I476 PolarHBondContact O-N 3.2Å; A471-L478 HydrophobicContact CB-CD1 4.21Å; A471-L478 HydrophobicContact CB-CD2 4.12Å; A471-L478 HydrophobicContact CB-CG 4.46Å
472	R	80	Confident	85.3	Confident	68 Å²	68	47.5 Å²	47.5	26%	0.257	22%	0.224	S	C	.	.	H	α-helix	trans	-63.8	-38.4	178.8	-68.6	-175.5	-57.4	-106.7	2.2	112.9	S468 K469 R474 E475 L478 I493	S468-R472 WeakPolarHBondContact O-CG 2.95Å; S468-R472 PolarHBondContact O-N 2.86Å; S468-R472 VanDerWaalsContact O-N 3.09Å; K469-R472 PolarHBondContact O-N 3.41Å; K469-R472 VanDerWaalsContact O-N 3.12Å; R472-R474 PolarHBondContact O-N 2.75Å; R472-E475 PolarHBondContact O-N 3.15Å; R472-L478 HydrophobicContact CG-CD1 4.33Å; R472-I493 PolarHBondContact NH1-O 3.33Å
473	D	72.2	Confident	85.2	Confident	109 Å²	109	46 Å²	46	58%	0.583	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-10.6	175	-66.9	-6.1	0	0	0	112.5	K469 A471	K469-D473 WeakPolarHBondContact O-CB 3.34Å; K469-D473 PolarHBondContact O-N 3.4Å; A471-D473 PolarHBondContact O-N 3.47Å
474	R	76.1	Confident	85.2	Confident	106 Å²	106	45.9 Å²	45.9	40%	0.4	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	22.1	172.7	-76.6	169.6	170.6	62.5	8.6	112.3	T431 R450 Y470 A471 R472 I476	T431-R474 HydrophobicContact CG2-CB 4.43Å; T431-R474 VanDerWaalsContact CG2-CD 3.48Å; R450-R474 VanDerWaalsContact CZ-O 3.26Å; R450-R474 PolarHBondContact NH2-O 3.47Å; Y470-R474 VanDerWaalsContact CD2-NH1 3.29Å; Y470-R474 PolarHBondContact OH-NE 3.1Å; Y470-R474 PolarHBondContact OH-NH2 3.13Å; A471-R474 CarbonylContact O-C 3.58Å; A471-R474 WeakPolarHBondContact O-CA 3.27Å; A471-R474 PolarHBondContact O-N 3.39Å; R472-R474 PolarHBondContact O-N 2.75Å; R474-I476 HydrophobicContact CB-CG1 4.44Å; R474-I476 PolarHBondContact O-N 3.29Å
475	E	69.8	Low	85.3	Confident	142 Å²	142	54 Å²	54	66%	0.664	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	32.8	176.5	-53.3	168.3	159.6	0	0	112.6	R450 R472	R450-E475 IonicContact NH2-OE2 3.26Å; R472-E475 PolarHBondContact O-N 3.15Å
476	I	81.7	Confident	85.8	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	119.8	172.5	-57	-179.5	0	0	0	108.8	T431 F435 R450 V452 A471 R474 L478	T431-I476 HydrophobicContact CG2-CD1 3.72Å; F435-I476 HydrophobicContact CD2-CD1 3.93Å; F435-I476 HydrophobicContact CE2-CD1 3.85Å; F435-I476 HydrophobicContact CE2-CG1 4.36Å; F435-I476 HydrophobicContact CE2-CG2 4.11Å; F435-I476 HydrophobicContact CZ-CG2 4.45Å; R450-I476 HydrophobicContact CB-CG1 4.23Å; R450-I476 WeakPolarHBondContact O-CA 3.4Å; V452-I476 HydrophobicContact CB-CG2 4.26Å; V452-I476 HydrophobicContact CG2-CG2 3.42Å; V452-I476 VanDerWaalsContact CG2-CG2 3.42Å; A471-I476 HydrophobicContact CB-CB 4.41Å; A471-I476 WeakPolarHBondContact O-CB 3.46Å; A471-I476 PolarHBondContact O-N 3.2Å; R474-I476 HydrophobicContact CB-CG1 4.44Å; R474-I476 PolarHBondContact O-N 3.29Å; I476-L478 HydrophobicContact CG2-CD2 4.25Å
477	F	84	Confident	85.9	Confident	56 Å²	56	49.2 Å²	49.2	25%	0.246	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	125.6	176.1	-66.4	-94.7	0	0	0	109.9	R450 V451 V452 V523	R450-F477 WeakPolarHBondContact O-CD2 3.29Å; R450-F477 PolarHBondContact O-N 3.1Å; V451-F477 CarbonylContact C-O 3.55Å; V451-F477 WeakPolarHBondContact CA-O 3.41Å; V451-F477 HydrophobicContact CG2-CB 4.24Å; V452-F477 PolarHBondContact N-O 3.23Å; F477-V523 HydrophobicContact CB-CG1 4.35Å; F477-V523 HydrophobicContact CB-CG2 4.28Å; F477-V523 HydrophobicContact CD1-CG1 3.82Å; F477-V523 HydrophobicContact CD1-CG2 4.41Å; F477-V523 HydrophobicContact CD2-CG1 3.58Å; F477-V523 HydrophobicContact CE1-CG1 3.95Å; F477-V523 HydrophobicContact CE2-CG1 3.73Å; F477-V523 HydrophobicContact CG-CG1 3.64Å; F477-V523 HydrophobicContact CG-CG2 4.31Å; F477-V523 HydrophobicContact CZ-CG1 3.92Å
478	L	87.8	Confident	85.2	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.8	179.5	-59.3	-179.4	0	0	0	109.7	L427 V452 A471 R472 I476 I493 T494 R499	L427-L478 HydrophobicContact CD2-CD2 4.02Å; V452-L478 HydrophobicContact CB-CD2 3.8Å; V452-L478 HydrophobicContact CG1-CD2 4.31Å; V452-L478 HydrophobicContact CG2-CD2 4.24Å; A471-L478 HydrophobicContact CB-CD1 4.21Å; A471-L478 HydrophobicContact CB-CD2 4.12Å; A471-L478 HydrophobicContact CB-CG 4.46Å; R472-L478 HydrophobicContact CG-CD1 4.33Å; I476-L478 HydrophobicContact CG2-CD2 4.25Å; L478-I493 HydrophobicContact CD1-CG2 4.25Å; L478-I493 VanDerWaalsContact CD1-O 3.24Å; L478-I493 WeakPolarHBondContact CD1-O 3.48Å; L478-T494 WeakPolarHBondContact O-CG2 3.4Å; L478-R499 WeakPolarHBondContact O-CB 3.42Å
479	I	93.4	Very high	85.5	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.3	171.3	-62.8	176	0	0	0	107.8	V451 V452 V453 L454 R499 L516 K519 I520	V451-I479 HydrophobicContact CG1-CD1 3.82Å; V451-I479 HydrophobicContact CG1-CG1 4.27Å; V452-I479 PolarHBondContact O-N 2.92Å; V453-I479 CarbonylContact C-O 3.6Å; V453-I479 WeakPolarHBondContact CA-O 3.16Å; V453-I479 HydrophobicContact CG2-CB 4.22Å; V453-I479 HydrophobicContact CG2-CD1 4.49Å; L454-I479 PolarHBondContact N-O 3.14Å; I479-R499 CarbonylContact C-O 3.52Å; I479-R499 VanDerWaalsContact CA-O 3.29Å; I479-R499 WeakPolarHBondContact CA-O 3.44Å; I479-R499 HydrophobicContact CG1-CB 4.44Å; I479-R499 WeakPolarHBondContact CG2-O 3.39Å; I479-L516 HydrophobicContact CG2-CD1 3.71Å; I479-K519 HydrophobicContact CD1-CB 4.23Å; I479-I520 HydrophobicContact CD1-CB 4.37Å; I479-I520 HydrophobicContact CD1-CG1 3.7Å
480	G	95.3	Very high	86	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.9	-178.2	0	0	0	0	0	111.3	T494 R499 T500 V501	G480-T494 VanDerWaalsContact N-CG2 3.29Å; G480-R499 PolarHBondContact N-O 2.88Å; G480-T500 CarbonylContact O-C 3.54Å; G480-T500 WeakPolarHBondContact O-CA 3.44Å; G480-V501 PolarHBondContact O-N 3.47Å
481	V	97.9	Very high	85.8	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.2	175.9	-170.2	0	0	0	0	109.1	V453 L454 L455 A456 V501 L509 L516	V453-V481 HydrophobicContact CG1-CG2 3.9Å; L454-V481 PolarHBondContact O-N 3.47Å; L455-V481 HydrophobicContact CD2-CB 3.56Å; L455-V481 HydrophobicContact CD2-CG1 4.06Å; L455-V481 HydrophobicContact CD2-CG2 3.65Å; A456-V481 PolarHBondContact N-O 3.13Å; A456-V481 VanDerWaalsContact O-O 3.11Å; V481-V501 VanDerWaalsContact CA-O 3.31Å; V481-V501 WeakPolarHBondContact CA-O 3.49Å; V481-V501 HydrophobicContact CB-CB 4.42Å; V481-V501 HydrophobicContact CG1-CB 4.15Å; V481-V501 HydrophobicContact CG1-CG1 4.18Å; V481-V501 HydrophobicContact CG2-CB 4.13Å; V481-V501 HydrophobicContact CG2-CG2 4.44Å; V481-L509 HydrophobicContact CG1-CD1 3.87Å; V481-L516 HydrophobicContact CG2-CD1 3.96Å; V481-L516 HydrophobicContact CG2-CD2 4.33Å
482	G	96.4	Very high	85.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	-179.3	179.9	0	0	0	0	0	114.3	A456 V501 T502 Y503	A456-G482 WeakPolarHBondContact O-CA 3.37Å; G482-V501 PolarHBondContact N-O 3.08Å; G482-T502 WeakPolarHBondContact O-CA 3.06Å; G482-Y503 WeakPolarHBondContact O-CD1 3.32Å; G482-Y503 WeakPolarHBondContact O-CE1 3.11Å; G482-Y503 PolarHBondContact O-N 2.75Å; G482-Y503 VanDerWaalsContact O-N 3.13Å
483	P	95.2	Very high	85.5	Confident	5 Å²	5	49.4 Å²	49.4	3%	0.032	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	154.5	177.6	28.6	-33.2	0	0	0	111.2	A456 R485 L486 Y503	A456-P483 WeakPolarHBondContact O-CD 2.99Å; P483-R485 HydrophobicContact CB-CG 4.13Å; P483-R485 HydrophobicContact CG-CG 3.9Å; P483-R485 PolarHBondContact O-N 2.9Å; P483-L486 HydrophobicContact CG-CD1 4.22Å; P483-L486 HydrophobicContact CG-CG 4.1Å; P483-L486 PolarHBondContact O-N 3.12Å; P483-Y503 WeakPolarHBondContact CA-O 3.23Å; P483-Y503 HydrophobicContact CB-CD2 4.42Å; P483-Y503 HydrophobicContact CB-CE2 3.93Å
484	E	90.9	Very high	85.9	Confident	89 Å²	89	44.3 Å²	44.3	42%	0.416	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-51.6	-33	-177.1	-165.9	68.3	-159.7	0	0	113.5	L486 K487 T502 Y503	E484-L486 PolarHBondContact O-N 2.93Å; E484-K487 WeakPolarHBondContact O-CB 3.36Å; E484-K487 PolarHBondContact O-N 3.36Å; E484-K487 WeakPolarHBondContact OE1-CD 3.44Å; E484-K487 IonicContact OE1-NZ 3.59Å; E484-K487 PolarHBondContact OE1-NZ 2.98Å; E484-T502 WeakPolarHBondContact OE2-CB 3.42Å; E484-T502 PolarHBondContact OE2-OG1 2.88Å; E484-Y503 PolarHBondContact N-O 2.87Å
485	R	92.5	Very high	85.5	Confident	183 Å²	183	40 Å²	40	69%	0.691	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-59.5	-25.1	176.4	66.9	177.1	178.4	-91.7	2	114.5	A457 P483	A457-R485 PolarHBondContact O-NH2 2.85Å; P483-R485 HydrophobicContact CB-CG 4.13Å; P483-R485 HydrophobicContact CG-CG 3.9Å; P483-R485 PolarHBondContact O-N 2.9Å
486	L	92.3	Very high	85.1	Confident	7 Å²	7	33.6 Å²	33.6	4%	0.037	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-93.4	1.1	178.7	-65.5	-172	0	0	0	113.1	T458 P459 P483 E484 A488 E489 L490	T458-L486 WeakPolarHBondContact O-CD1 3.33Å; P459-L486 HydrophobicContact CB-CD2 4.07Å; P459-L486 HydrophobicContact CG-CD2 3.71Å; P483-L486 HydrophobicContact CG-CD1 4.22Å; P483-L486 HydrophobicContact CG-CG 4.1Å; P483-L486 PolarHBondContact O-N 3.12Å; E484-L486 PolarHBondContact O-N 2.93Å; L486-A488 VanDerWaalsContact C-N 3.28Å; L486-A488 PolarHBondContact O-N 3.31Å; L486-E489 PolarHBondContact O-N 3.17Å; L486-E489 VanDerWaalsContact O-N 3.1Å; L486-L490 HydrophobicContact CB-CD1 4.06Å; L486-L490 HydrophobicContact CB-CG 4.12Å; L486-L490 WeakPolarHBondContact O-CG 3.18Å; L486-L490 PolarHBondContact O-N 2.79Å
487	K	83.3	Confident	84.3	Confident	91 Å²	91	35.6 Å²	35.6	40%	0.396	18%	0.182	S	C	.	.	H	α-helix	trans	-51.3	-44.9	-174.4	-177	168.1	179.8	178.9	0	113.5	E484 N491 T502	E484-K487 WeakPolarHBondContact O-CB 3.36Å; E484-K487 PolarHBondContact O-N 3.36Å; E484-K487 WeakPolarHBondContact OE1-CD 3.44Å; E484-K487 IonicContact OE1-NZ 3.59Å; E484-K487 PolarHBondContact OE1-NZ 2.98Å; K487-N491 VanDerWaalsContact O-CB 3.27Å; K487-N491 WeakPolarHBondContact O-CB 3.2Å; K487-N491 PolarHBondContact O-N 3.29Å; K487-N491 PolarHBondContact O-ND2 2.9Å; K487-N491 PolarHBondContact O-OD1 2.83Å; K487-T502 HydrophobicContact CB-CG2 4.01Å; K487-T502 HydrophobicContact CD-CG2 4.38Å; K487-T502 HydrophobicContact CG-CG2 4.18Å
488	A	77	Confident	83.5	Confident	70 Å²	70	35.9 Å²	35.9	58%	0.579	18%	0.184	S	C	*	.	H	α-helix	trans	-64	-45.2	-179.6	0	0	0	0	0	112.4	L486 N491 N492	L486-A488 VanDerWaalsContact C-N 3.28Å; L486-A488 PolarHBondContact O-N 3.31Å; A488-N491 PolarHBondContact O-N 3.3Å; A488-N492 PolarHBondContact O-N 2.79Å; A488-N492 VanDerWaalsContact O-N 3.11Å
489	E	88.4	Confident	82.8	Confident	46 Å²	46	37.5 Å²	37.5	22%	0.215	19%	0.19	C	C	.	.	H	α-helix	trans	-66.4	-45.2	177.7	-172	179.7	109.5	0	0	111.3	A460 V464 L486 N491 N492 I493	A460-E489 WeakPolarHBondContact CB-OE1 3.27Å; A460-E489 PolarHBondContact N-OE1 3.2Å; A460-E489 PolarHBondContact N-OE2 2.94Å; V464-E489 HydrophobicContact CG2-CG 4.31Å; L486-E489 PolarHBondContact O-N 3.17Å; L486-E489 VanDerWaalsContact O-N 3.1Å; E489-N491 VanDerWaalsContact C-N 3.29Å; E489-N491 PolarHBondContact O-N 3.35Å; E489-N492 WeakPolarHBondContact O-CB 3.34Å; E489-N492 PolarHBondContact O-N 3.3Å; E489-N492 VanDerWaalsContact O-N 3.09Å; E489-I493 HydrophobicContact CG-CD1 4.09Å; E489-I493 WeakPolarHBondContact O-CG1 2.87Å; E489-I493 PolarHBondContact O-N 3.16Å
490	L	86.9	Confident	82.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-37	176.4	-67.1	174.9	0	0	0	111.9	L454 L486 N492 I493 T494 T500	L454-L490 HydrophobicContact CD2-CD2 4.3Å; L486-L490 HydrophobicContact CB-CD1 4.06Å; L486-L490 HydrophobicContact CB-CG 4.12Å; L486-L490 WeakPolarHBondContact O-CG 3.18Å; L486-L490 PolarHBondContact O-N 2.79Å; L490-N492 VanDerWaalsContact C-N 3.33Å; L490-N492 PolarHBondContact O-N 2.91Å; L490-I493 HydrophobicContact CD2-CD1 4.42Å; L490-I493 PolarHBondContact O-N 3.08Å; L490-T494 WeakPolarHBondContact O-CB 3.45Å; L490-T494 VanDerWaalsContact O-CG2 3.25Å; L490-T494 WeakPolarHBondContact O-CG2 3.26Å; L490-T494 PolarHBondContact O-N 2.9Å; L490-T494 PolarHBondContact O-OG1 2.68Å; L490-T500 HydrophobicContact CB-CG2 3.57Å; L490-T500 HydrophobicContact CD1-CG2 3.88Å; L490-T500 HydrophobicContact CG-CG2 4.39Å
491	N	77.5	Confident	82.2	Confident	32 Å²	32	37.9 Å²	37.9	17%	0.171	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-36.6	174.2	-70	-7.8	0	0	0	112.2	K487 A488 E489 T494 G495 P497 T500	K487-N491 VanDerWaalsContact O-CB 3.27Å; K487-N491 WeakPolarHBondContact O-CB 3.2Å; K487-N491 PolarHBondContact O-N 3.29Å; K487-N491 PolarHBondContact O-ND2 2.9Å; K487-N491 PolarHBondContact O-OD1 2.83Å; A488-N491 PolarHBondContact O-N 3.3Å; E489-N491 VanDerWaalsContact C-N 3.29Å; E489-N491 PolarHBondContact O-N 3.35Å; N491-T494 WeakPolarHBondContact CA-OG1 3.4Å; N491-T494 PolarHBondContact O-OG1 2.8Å; N491-G495 WeakPolarHBondContact O-CA 3.49Å; N491-G495 PolarHBondContact O-N 3.16Å; N491-P497 HydrophobicContact CB-CG 4.29Å; N491-P497 WeakPolarHBondContact OD1-CA 3.15Å; N491-T500 VanDerWaalsContact OD1-CB 3.26Å; N491-T500 WeakPolarHBondContact OD1-CB 3.12Å; N491-T500 PolarHBondContact OD1-OG1 3.31Å
492	N	74.1	Confident	81.9	Confident	90 Å²	90	38.8 Å²	38.8	48%	0.481	20%	0.198	S	C	.	.	H	α-helix	trans	-68.5	-39.5	174.3	-70.1	-18.5	0	0	0	111.6	A488 E489 L490	A488-N492 PolarHBondContact O-N 2.79Å; A488-N492 VanDerWaalsContact O-N 3.11Å; E489-N492 WeakPolarHBondContact O-CB 3.34Å; E489-N492 PolarHBondContact O-N 3.3Å; E489-N492 VanDerWaalsContact O-N 3.09Å; L490-N492 VanDerWaalsContact C-N 3.33Å; L490-N492 PolarHBondContact O-N 2.91Å
493	I	83.2	Confident	81.6	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-64.6	-52.8	176.5	-70.2	164.7	0	0	0	110.5	T423 L427 L454 V464 S468 R472 L478 E489 L490 G495	T423-I493 HydrophobicContact CG2-CD1 3.97Å; L427-I493 HydrophobicContact CD1-CG2 3.9Å; L454-I493 HydrophobicContact CD2-CD1 3.96Å; L454-I493 HydrophobicContact CD2-CG2 4.06Å; V464-I493 HydrophobicContact CB-CD1 4.17Å; V464-I493 HydrophobicContact CB-CG1 3.77Å; V464-I493 HydrophobicContact CG1-CD1 4.2Å; V464-I493 HydrophobicContact CG1-CG1 4.34Å; V464-I493 HydrophobicContact CG2-CD1 4.24Å; V464-I493 HydrophobicContact CG2-CG1 3.75Å; S468-I493 VanDerWaalsContact CB-O 3.27Å; S468-I493 WeakPolarHBondContact CB-O 3.22Å; S468-I493 WeakPolarHBondContact OG-CA 3.25Å; R472-I493 PolarHBondContact NH1-O 3.33Å; L478-I493 HydrophobicContact CD1-CG2 4.25Å; L478-I493 VanDerWaalsContact CD1-O 3.24Å; L478-I493 WeakPolarHBondContact CD1-O 3.48Å; E489-I493 HydrophobicContact CG-CD1 4.09Å; E489-I493 WeakPolarHBondContact O-CG1 2.87Å; E489-I493 PolarHBondContact O-N 3.16Å; L490-I493 HydrophobicContact CD2-CD1 4.42Å; L490-I493 PolarHBondContact O-N 3.08Å; I493-G495 PolarHBondContact O-N 3.46Å
494	T	81.1	Confident	81	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-69.2	-27	-178.8	58.2	0	0	0	0	112.2	L478 G480 L490 N491 N496 R499 T500	L478-T494 WeakPolarHBondContact O-CG2 3.4Å; G480-T494 VanDerWaalsContact N-CG2 3.29Å; L490-T494 WeakPolarHBondContact O-CB 3.45Å; L490-T494 VanDerWaalsContact O-CG2 3.25Å; L490-T494 WeakPolarHBondContact O-CG2 3.26Å; L490-T494 PolarHBondContact O-N 2.9Å; L490-T494 PolarHBondContact O-OG1 2.68Å; N491-T494 WeakPolarHBondContact CA-OG1 3.4Å; N491-T494 PolarHBondContact O-OG1 2.8Å; T494-N496 PolarHBondContact O-N 2.69Å; T494-N496 PolarHBondContact OG1-N 2.89Å; T494-N496 PolarHBondContact OG1-O 3.29Å; T494-R499 HydrophobicContact CG2-CB 4.14Å; T494-T500 PolarHBondContact OG1-OG1 3.06Å
495	G	66.1	Low	80.6	Confident	16 Å²	16	42.1 Å²	42.1	17%	0.165	23%	0.229	C	C	.	.	S	Bend	trans	70.7	3	-170.5	0	0	0	0	0	113.1	N491 I493	N491-G495 WeakPolarHBondContact O-CA 3.49Å; N491-G495 PolarHBondContact O-N 3.16Å; I493-G495 PolarHBondContact O-N 3.46Å
496	N	62.5	Low	79.8	Confident	8 Å²	8	36.6 Å²	36.6	4%	0.043	22%	0.216	C	C	.	.	S	Bend	trans	-153.2	107.6	-169.9	172.9	-35.2	0	0	0	108.8	T494 Q498 R499 V562	T494-N496 PolarHBondContact O-N 2.69Å; T494-N496 PolarHBondContact OG1-N 2.89Å; T494-N496 PolarHBondContact OG1-O 3.29Å; N496-Q498 PolarHBondContact O-N 3.5Å; N496-Q498 VanDerWaalsContact O-N 3.16Å; N496-Q498 VanDerWaalsContact OD1-CA 3.22Å; N496-Q498 WeakPolarHBondContact OD1-CA 3.07Å; N496-Q498 WeakPolarHBondContact OD1-CB 3.48Å; N496-Q498 PolarHBondContact OD1-N 3.09Å; N496-R499 HydrophobicContact CB-CB 4.3Å; N496-R499 HydrophobicContact CB-CG 4.07Å; N496-R499 WeakPolarHBondContact O-CB 3.09Å; N496-R499 PolarHBondContact O-N 3.37Å; N496-R499 PolarHBondContact OD1-N 3.4Å; N496-R499 VanDerWaalsContact OD1-N 3.08Å; N496-V562 HydrophobicContact CB-CG1 3.9Å; N496-V562 WeakPolarHBondContact ND2-CG1 3.27Å; N496-V562 PolarHBondContact ND2-O 2.9Å; N496-V562 WeakPolarHBondContact OD1-CG1 3.42Å
497	P	64.8	Low	78.9	Confident	45 Å²	45	41.8 Å²	41.8	29%	0.292	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-56.8	-27.9	178.2	-27.2	34.4	0	0	0	115.5	N491 R499 T500 V562 L598	N491-P497 HydrophobicContact CB-CG 4.29Å; N491-P497 WeakPolarHBondContact OD1-CA 3.15Å; P497-R499 PolarHBondContact O-N 2.87Å; P497-T500 WeakPolarHBondContact O-CB 3.36Å; P497-T500 PolarHBondContact O-N 3.17Å; P497-T500 VanDerWaalsContact O-N 3.12Å; P497-V562 HydrophobicContact CG-CG2 4.41Å; P497-L598 HydrophobicContact CG-CD1 4.27Å
498	Q	66.2	Low	78.7	Confident	61 Å²	61	45.9 Å²	45.9	29%	0.285	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-73.3	-9.1	175.4	-61	-70.5	-6.3	0	0	112.7	N496 K519 S559 V562	N496-Q498 PolarHBondContact O-N 3.5Å; N496-Q498 VanDerWaalsContact O-N 3.16Å; N496-Q498 VanDerWaalsContact OD1-CA 3.22Å; N496-Q498 WeakPolarHBondContact OD1-CA 3.07Å; N496-Q498 WeakPolarHBondContact OD1-CB 3.48Å; N496-Q498 PolarHBondContact OD1-N 3.09Å; Q498-K519 WeakPolarHBondContact O-CD 3.36Å; Q498-K519 PolarHBondContact O-NZ 3.11Å; Q498-S559 PolarHBondContact NE2-OG 2.76Å; Q498-S559 VanDerWaalsContact NE2-OG 3.15Å; Q498-V562 HydrophobicContact CB-CG1 4.11Å; Q498-V562 HydrophobicContact CG-CG1 3.9Å
499	R	74.4	Confident	79	Confident	39 Å²	39	42.8 Å²	42.8	15%	0.147	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-99.1	6.9	169.8	-64.7	179.6	-172.7	167.2	-0.5	112.8	L478 I479 G480 T494 N496 P497	L478-R499 WeakPolarHBondContact O-CB 3.42Å; I479-R499 CarbonylContact C-O 3.52Å; I479-R499 VanDerWaalsContact CA-O 3.29Å; I479-R499 WeakPolarHBondContact CA-O 3.44Å; I479-R499 HydrophobicContact CG1-CB 4.44Å; I479-R499 WeakPolarHBondContact CG2-O 3.39Å; G480-R499 PolarHBondContact N-O 2.88Å; T494-R499 HydrophobicContact CG2-CB 4.14Å; N496-R499 HydrophobicContact CB-CB 4.3Å; N496-R499 HydrophobicContact CB-CG 4.07Å; N496-R499 WeakPolarHBondContact O-CB 3.09Å; N496-R499 PolarHBondContact O-N 3.37Å; N496-R499 PolarHBondContact OD1-N 3.4Å; N496-R499 VanDerWaalsContact OD1-N 3.08Å; P497-R499 PolarHBondContact O-N 2.87Å
500	T	84.6	Confident	78.6	Confident	9 Å²	9	44 Å²	44	6%	0.055	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	135.7	171	-54.8	0	0	0	0	109.6	G480 L490 N491 T494 P497 T502 K519	G480-T500 CarbonylContact O-C 3.54Å; G480-T500 WeakPolarHBondContact O-CA 3.44Å; L490-T500 HydrophobicContact CB-CG2 3.57Å; L490-T500 HydrophobicContact CD1-CG2 3.88Å; L490-T500 HydrophobicContact CG-CG2 4.39Å; N491-T500 VanDerWaalsContact OD1-CB 3.26Å; N491-T500 WeakPolarHBondContact OD1-CB 3.12Å; N491-T500 PolarHBondContact OD1-OG1 3.31Å; T494-T500 PolarHBondContact OG1-OG1 3.06Å; P497-T500 WeakPolarHBondContact O-CB 3.36Å; P497-T500 PolarHBondContact O-N 3.17Å; P497-T500 VanDerWaalsContact O-N 3.12Å; T500-T502 HydrophobicContact CG2-CG2 3.76Å; T500-K519 PolarHBondContact O-NZ 2.94Å
501	V	90.1	Very high	78.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116.4	171.6	179	0	0	0	0	107.2	G480 V481 G482 K512 E515 L516 K519	G480-V501 PolarHBondContact O-N 3.47Å; V481-V501 VanDerWaalsContact CA-O 3.31Å; V481-V501 WeakPolarHBondContact CA-O 3.49Å; V481-V501 HydrophobicContact CB-CB 4.42Å; V481-V501 HydrophobicContact CG1-CB 4.15Å; V481-V501 HydrophobicContact CG1-CG1 4.18Å; V481-V501 HydrophobicContact CG2-CB 4.13Å; V481-V501 HydrophobicContact CG2-CG2 4.44Å; G482-V501 PolarHBondContact N-O 3.08Å; V501-K512 HydrophobicContact CG1-CB 3.77Å; V501-K512 HydrophobicContact CG1-CD 4Å; V501-K512 HydrophobicContact CG1-CG 4.05Å; V501-E515 HydrophobicContact CG2-CG 4.39Å; V501-L516 HydrophobicContact CG2-CD1 4.33Å; V501-K519 HydrophobicContact CG2-CD 3.44Å; V501-K519 VanDerWaalsContact CG2-CD 3.44Å
502	T	91.9	Very high	78.5	Confident	21 Å²	21	48 Å²	48	13%	0.129	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	149.5	178.4	58.7	0	0	0	0	113.3	G482 E484 K487 T500 K512	G482-T502 WeakPolarHBondContact O-CA 3.06Å; E484-T502 WeakPolarHBondContact OE2-CB 3.42Å; E484-T502 PolarHBondContact OE2-OG1 2.88Å; K487-T502 HydrophobicContact CB-CG2 4.01Å; K487-T502 HydrophobicContact CD-CG2 4.38Å; K487-T502 HydrophobicContact CG-CG2 4.18Å; T500-T502 HydrophobicContact CG2-CG2 3.76Å; T502-K512 WeakPolarHBondContact O-CE 3.15Å; T502-K512 PolarHBondContact O-NZ 3.28Å
503	Y	89.9	Confident	79.1	Confident	13 Å²	13	44.1 Å²	44.1	5%	0.051	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.9	173.7	58.6	-93.7	0	0	0	111.9	G482 P483 E484 S505 P506 L509	G482-Y503 WeakPolarHBondContact O-CD1 3.32Å; G482-Y503 WeakPolarHBondContact O-CE1 3.11Å; G482-Y503 PolarHBondContact O-N 2.75Å; G482-Y503 VanDerWaalsContact O-N 3.13Å; P483-Y503 WeakPolarHBondContact CA-O 3.23Å; P483-Y503 HydrophobicContact CB-CD2 4.42Å; P483-Y503 HydrophobicContact CB-CE2 3.93Å; E484-Y503 PolarHBondContact N-O 2.87Å; Y503-S505 VanDerWaalsContact CD2-C 3.5Å; Y503-S505 VanDerWaalsContact CD2-O 3.27Å; Y503-S505 WeakPolarHBondContact CD2-O 3.27Å; Y503-P506 HydrophobicContact CE2-CG 4.39Å; Y503-L509 HydrophobicContact CD1-CB 4.24Å; Y503-L509 HydrophobicContact CD1-CD1 3.59Å; Y503-L509 HydrophobicContact CD1-CG 4.32Å; Y503-L509 HydrophobicContact CE1-CB 4.47Å; Y503-L509 HydrophobicContact CE1-CD1 3.75Å; Y503-L509 HydrophobicContact CE1-CD2 4.13Å; Y503-L509 HydrophobicContact CE1-CG 4.31Å; Y503-L509 HydrophobicContact CG-CB 4.3Å; Y503-L509 HydrophobicContact CG-CD1 4.41Å
504	S	84.3	Confident	78.8	Confident	111 Å²	111	45.9 Å²	45.9	78%	0.776	26%	0.262	S	S	*	.	S	Bend	trans	-77.5	-37.8	179.6	51.5	0	0	0	0	112.6
505	S	81.4	Confident	78.8	Confident	40 Å²	40	48.8 Å²	48.8	28%	0.28	28%	0.276	S	S	.	.	S	Bend	trans	-138.4	151.7	173.8	72.8	0	0	0	0	111.6	Y503 D507 R508	Y503-S505 VanDerWaalsContact CD2-C 3.5Å; Y503-S505 VanDerWaalsContact CD2-O 3.27Å; Y503-S505 WeakPolarHBondContact CD2-O 3.27Å; S505-D507 PolarHBondContact O-N 3.35Å; S505-D507 VanDerWaalsContact O-N 3.15Å; S505-R508 PolarHBondContact O-N 3.16Å; S505-R508 WeakPolarHBondContact OG-CG 3.37Å
506	P	76.3	Confident	80	Confident	66 Å²	66	48 Å²	48	43%	0.429	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-55.7	-30.9	-179.4	-26.6	35.2	0	0	0	114.2	Y503 R508 L509	Y503-P506 HydrophobicContact CE2-CG 4.39Å; P506-R508 PolarHBondContact O-N 3.35Å; P506-L509 VanDerWaalsContact O-CB 3.26Å; P506-L509 WeakPolarHBondContact O-CB 3.29Å; P506-L509 PolarHBondContact O-N 3.06Å
507	D	73.6	Confident	81.1	Confident	116 Å²	116	49.3 Å²	49.3	62%	0.62	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-69.5	-22.7	179.3	-52	-55.1	0	0	0	112.9	R361 S505 L509	R361-D507 IonicContact CZ-OD1 2.61Å; R361-D507 IonicContact NH1-OD1 3.52Å; R361-D507 PolarHBondContact NH1-OD1 3.28Å; S505-D507 PolarHBondContact O-N 3.35Å; S505-D507 VanDerWaalsContact O-N 3.15Å; D507-L509 VanDerWaalsContact C-N 3.35Å
508	R	77.9	Confident	81.7	Confident	178 Å²	178	50.1 Å²	50.1	67%	0.672	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-85.8	-7	178.3	-63.2	-68.9	-173.8	172.1	0.5	113.2	S505 P506 I510 G511	S505-R508 PolarHBondContact O-N 3.16Å; S505-R508 WeakPolarHBondContact OG-CG 3.37Å; P506-R508 PolarHBondContact O-N 3.35Å; R508-I510 VanDerWaalsContact C-N 3.3Å; R508-I510 PolarHBondContact O-N 2.77Å; R508-G511 PolarHBondContact O-N 3.28Å; R508-G511 VanDerWaalsContact O-N 3.07Å
509	L	84.1	Confident	82.4	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.021	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-59.8	-38.3	-177.8	175.6	55.7	0	0	0	112.1	L362 F365 V481 Y503 P506 D507 G511 K512	L362-L509 HydrophobicContact CD2-CD2 3.89Å; F365-L509 HydrophobicContact CB-CD2 3.77Å; F365-L509 HydrophobicContact CB-CG 3.97Å; F365-L509 HydrophobicContact CD1-CD1 4.26Å; F365-L509 HydrophobicContact CD1-CD2 4.38Å; F365-L509 HydrophobicContact CD1-CG 4.32Å; F365-L509 HydrophobicContact CD2-CD1 3.8Å; F365-L509 HydrophobicContact CD2-CD2 4.23Å; F365-L509 HydrophobicContact CD2-CG 3.49Å; F365-L509 VanDerWaalsContact CD2-CG 3.49Å; F365-L509 WeakPolarHBondContact CD2-O 3.32Å; F365-L509 HydrophobicContact CE1-CD1 4.25Å; F365-L509 HydrophobicContact CE2-CD1 3.78Å; F365-L509 HydrophobicContact CE2-CG 3.98Å; F365-L509 WeakPolarHBondContact CE2-O 3.35Å; F365-L509 HydrophobicContact CG-CD1 4.03Å; F365-L509 HydrophobicContact CG-CD2 3.87Å; F365-L509 HydrophobicContact CG-CG 3.66Å; F365-L509 HydrophobicContact CZ-CD1 4Å; V481-L509 HydrophobicContact CG1-CD1 3.87Å; Y503-L509 HydrophobicContact CD1-CB 4.24Å; Y503-L509 HydrophobicContact CD1-CD1 3.59Å; Y503-L509 HydrophobicContact CD1-CG 4.32Å; Y503-L509 HydrophobicContact CE1-CB 4.47Å; Y503-L509 HydrophobicContact CE1-CD1 3.75Å; Y503-L509 HydrophobicContact CE1-CD2 4.13Å; Y503-L509 HydrophobicContact CE1-CG 4.31Å; Y503-L509 HydrophobicContact CG-CB 4.3Å; Y503-L509 HydrophobicContact CG-CD1 4.41Å; P506-L509 VanDerWaalsContact O-CB 3.26Å; P506-L509 WeakPolarHBondContact O-CB 3.29Å; P506-L509 PolarHBondContact O-N 3.06Å; D507-L509 VanDerWaalsContact C-N 3.35Å; L509-G511 PolarHBondContact O-N 3.48Å; L509-K512 VanDerWaalsContact O-CB 3.3Å; L509-K512 WeakPolarHBondContact O-CB 3.48Å; L509-K512 PolarHBondContact O-N 3.12Å
510	I	80.6	Confident	83	Confident	72 Å²	72	46.5 Å²	46.5	37%	0.369	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-60.7	-33.4	176.8	-60.9	-68	0	0	0	112.2	F365 R368 R508 K512 I513	F365-I510 HydrophobicContact CB-CD1 4.3Å; F365-I510 HydrophobicContact CD2-CD1 4.2Å; R368-I510 HydrophobicContact CB-CD1 4.04Å; R368-I510 HydrophobicContact CG-CD1 4.24Å; R368-I510 HydrophobicContact CG-CG2 4.41Å; R508-I510 VanDerWaalsContact C-N 3.3Å; R508-I510 PolarHBondContact O-N 2.77Å; I510-K512 PolarHBondContact O-N 3.03Å; I510-K512 VanDerWaalsContact O-N 3.12Å; I510-I513 HydrophobicContact CG2-CD1 4.12Å; I510-I513 WeakPolarHBondContact O-CD1 2.95Å; I510-I513 VanDerWaalsContact O-CG1 3.29Å; I510-I513 WeakPolarHBondContact O-CG1 3.5Å; I510-I513 PolarHBondContact O-N 2.92Å
511	G	75.9	Confident	82.6	Confident	61 Å²	61	47.2 Å²	47.2	63%	0.629	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-66.1	-10.3	176.3	0	0	0	0	0	114.1	R508 L509 P514	R508-G511 PolarHBondContact O-N 3.28Å; R508-G511 VanDerWaalsContact O-N 3.07Å; L509-G511 PolarHBondContact O-N 3.48Å; G511-P514 WeakPolarHBondContact O-CD 3.21Å
512	K	85.9	Confident	81.5	Confident	56 Å²	56	48 Å²	48	24%	0.243	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-91.7	0.4	-179.8	-61.5	-70.3	180	164.3	0	114.2	V501 T502 L509 I510 E515 L516	V501-K512 HydrophobicContact CG1-CB 3.77Å; V501-K512 HydrophobicContact CG1-CD 4Å; V501-K512 HydrophobicContact CG1-CG 4.05Å; T502-K512 WeakPolarHBondContact O-CE 3.15Å; T502-K512 PolarHBondContact O-NZ 3.28Å; L509-K512 VanDerWaalsContact O-CB 3.3Å; L509-K512 WeakPolarHBondContact O-CB 3.48Å; L509-K512 PolarHBondContact O-N 3.12Å; I510-K512 PolarHBondContact O-N 3.03Å; I510-K512 VanDerWaalsContact O-N 3.12Å; K512-E515 WeakPolarHBondContact CD-OE2 3.46Å; K512-E515 IonicContact NZ-OE2 3.04Å; K512-E515 PolarHBondContact NZ-OE2 3.21Å; K512-E515 PolarHBondContact O-N 2.92Å; K512-L516 WeakPolarHBondContact O-CB 3.48Å; K512-L516 PolarHBondContact O-N 2.92Å
513	I	85.8	Confident	80.1	Confident	7 Å²	7	47.8 Å²	47.8	4%	0.036	28%	0.277	C	S	.	.	H	α-helix	trans	-55.9	-46.1	177	-69	172	0	0	0	112.5	L336 F365 R368 F369 V373 I510 E515 L516 K517	L336-I513 HydrophobicContact CD1-CG2 3.88Å; F365-I513 HydrophobicContact CD2-CG1 4.21Å; F365-I513 HydrophobicContact CE2-CG1 3.65Å; F365-I513 HydrophobicContact CZ-CG1 4.37Å; R368-I513 HydrophobicContact CB-CD1 4.13Å; R368-I513 HydrophobicContact CG-CD1 3.61Å; F369-I513 HydrophobicContact CB-CG1 4.44Å; F369-I513 HydrophobicContact CD2-CB 4.36Å; F369-I513 HydrophobicContact CD2-CG1 4.25Å; F369-I513 HydrophobicContact CD2-CG2 3.86Å; F369-I513 HydrophobicContact CE2-CG2 4.36Å; V373-I513 HydrophobicContact CG2-CG2 3.67Å; I510-I513 HydrophobicContact CG2-CD1 4.12Å; I510-I513 WeakPolarHBondContact O-CD1 2.95Å; I510-I513 VanDerWaalsContact O-CG1 3.29Å; I510-I513 WeakPolarHBondContact O-CG1 3.5Å; I510-I513 PolarHBondContact O-N 2.92Å; I513-E515 PolarHBondContact O-N 3.02Å; I513-L516 PolarHBondContact O-N 2.75Å; I513-K517 WeakPolarHBondContact O-CB 3.37Å; I513-K517 PolarHBondContact O-N 2.59Å
514	P	77.4	Confident	78	Confident	40 Å²	40	51.7 Å²	51.7	26%	0.26	30%	0.299	S	S	.	.	H	α-helix	trans	-64.2	-41.5	178.3	-20.5	32.6	0	0	0	112.7	Y326 L336 G511 K517 A518	Y326-P514 WeakPolarHBondContact OH-CG 3.32Å; L336-P514 HydrophobicContact CD1-CG 4.23Å; G511-P514 WeakPolarHBondContact O-CD 3.21Å; P514-K517 PolarHBondContact O-N 3.28Å; P514-A518 WeakPolarHBondContact O-CB 3.32Å; P514-A518 PolarHBondContact O-N 2.88Å
515	E	82	Confident	76.3	Confident	61 Å²	61	53.3 Å²	53.3	29%	0.285	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-44	177.4	-175.4	-174.9	156.1	0	0	111.1	V501 K512 I513 A518 K519	V501-E515 HydrophobicContact CG2-CG 4.39Å; K512-E515 WeakPolarHBondContact CD-OE2 3.46Å; K512-E515 IonicContact NZ-OE2 3.04Å; K512-E515 PolarHBondContact NZ-OE2 3.21Å; K512-E515 PolarHBondContact O-N 2.92Å; I513-E515 PolarHBondContact O-N 3.02Å; E515-A518 PolarHBondContact O-N 3.38Å; E515-K519 HydrophobicContact CG-CD 4.32Å; E515-K519 VanDerWaalsContact CG-CE 3.45Å; E515-K519 WeakPolarHBondContact O-CG 3.22Å; E515-K519 PolarHBondContact O-N 2.91Å; E515-K519 WeakPolarHBondContact OE1-CE 3.28Å; E515-K519 IonicContact OE1-NZ 3.41Å
516	L	90.6	Very high	74.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.7	-42.9	176.7	-179.9	58.9	0	0	0	111.7	F346 F365 F369 V453 I479 V481 V501 K512 I513 A518 K519 I520	F346-L516 HydrophobicContact CE1-CD2 4.41Å; F365-L516 HydrophobicContact CE1-CD2 3.68Å; F365-L516 HydrophobicContact CZ-CD2 3.59Å; F369-L516 HydrophobicContact CD2-CB 4.46Å; F369-L516 HydrophobicContact CD2-CD2 3.78Å; F369-L516 HydrophobicContact CD2-CG 4.23Å; F369-L516 HydrophobicContact CE2-CB 4.01Å; F369-L516 HydrophobicContact CE2-CD2 3.78Å; F369-L516 HydrophobicContact CE2-CG 3.73Å; F369-L516 HydrophobicContact CG-CD2 4.48Å; F369-L516 HydrophobicContact CZ-CD2 4.48Å; F369-L516 HydrophobicContact CZ-CG 4.35Å; V453-L516 HydrophobicContact CG1-CD1 4.03Å; V453-L516 HydrophobicContact CG1-CD2 4.29Å; V453-L516 HydrophobicContact CG2-CD1 4.36Å; I479-L516 HydrophobicContact CG2-CD1 3.71Å; V481-L516 HydrophobicContact CG2-CD1 3.96Å; V481-L516 HydrophobicContact CG2-CD2 4.33Å; V501-L516 HydrophobicContact CG2-CD1 4.33Å; K512-L516 WeakPolarHBondContact O-CB 3.48Å; K512-L516 PolarHBondContact O-N 2.92Å; I513-L516 PolarHBondContact O-N 2.75Å; L516-A518 VanDerWaalsContact C-N 3.33Å; L516-A518 PolarHBondContact O-N 3.08Å; L516-K519 PolarHBondContact O-N 3.03Å; L516-I520 HydrophobicContact CD1-CD1 3.85Å; L516-I520 HydrophobicContact CD1-CG1 4.08Å; L516-I520 HydrophobicContact CD2-CD1 4.44Å; L516-I520 HydrophobicContact CG-CD1 3.71Å; L516-I520 HydrophobicContact CG-CG1 4.39Å; L516-I520 WeakPolarHBondContact O-CB 3.43Å; L516-I520 WeakPolarHBondContact O-CD1 3.37Å; L516-I520 VanDerWaalsContact O-CG1 3.23Å; L516-I520 WeakPolarHBondContact O-CG1 3.36Å; L516-I520 PolarHBondContact O-N 2.82Å
517	K	86.2	Confident	73.9	Confident	36 Å²	36	50.9 Å²	50.9	16%	0.157	28%	0.277	C	S	.	.	H	α-helix	trans	-56.4	-49.6	173.9	-178.1	-156.3	177.3	-176.1	0	110.5	L336 S337 L338 F369 V373 I513 P514 K519 I520 C521	L336-K517 HydrophobicContact CB-CD 4.06Å; L336-K517 HydrophobicContact CD2-CD 3.64Å; L336-K517 HydrophobicContact CG-CD 4.41Å; S337-K517 WeakPolarHBondContact O-CE 3.27Å; S337-K517 PolarHBondContact O-NZ 2.89Å; L338-K517 HydrophobicContact CD1-CG 3.8Å; F369-K517 HydrophobicContact CE2-CB 4.39Å; V373-K517 HydrophobicContact CG1-CB 4.43Å; V373-K517 HydrophobicContact CG1-CG 4.02Å; I513-K517 WeakPolarHBondContact O-CB 3.37Å; I513-K517 PolarHBondContact O-N 2.59Å; P514-K517 PolarHBondContact O-N 3.28Å; K517-K519 VanDerWaalsContact C-N 3.33Å; K517-K519 PolarHBondContact O-N 2.98Å; K517-I520 PolarHBondContact O-N 3.22Å; K517-C521 PolarHBondContact O-N 3.38Å
518	A	76.6	Confident	73.3	Confident	61 Å²	61	45.6 Å²	45.6	50%	0.504	25%	0.25	S	C	.	.	H	α-helix	trans	-58.5	-45.5	-179.5	0	0	0	0	0	111.2	P514 E515 L516 I520 C521 S522	P514-A518 WeakPolarHBondContact O-CB 3.32Å; P514-A518 PolarHBondContact O-N 2.88Å; E515-A518 PolarHBondContact O-N 3.38Å; L516-A518 VanDerWaalsContact C-N 3.33Å; L516-A518 PolarHBondContact O-N 3.08Å; A518-I520 PolarHBondContact O-N 2.88Å; A518-C521 CarbonylContact O-C 3.43Å; A518-C521 PolarHBondContact O-N 2.88Å; A518-S522 VanDerWaalsContact O-CB 3.23Å; A518-S522 WeakPolarHBondContact O-CB 3.43Å; A518-S522 PolarHBondContact O-N 3Å; A518-S522 PolarHBondContact O-OG 3.48Å
519	K	81.3	Confident	72.3	Confident	25 Å²	25	41.4 Å²	41.4	11%	0.109	24%	0.24	C	C	.	.	H	α-helix	trans	-67.6	-33.7	177.7	-69.8	171.4	-166.2	-100.6	0	113.5	I479 Q498 T500 V501 E515 L516 K517 S522	I479-K519 HydrophobicContact CD1-CB 4.23Å; Q498-K519 WeakPolarHBondContact O-CD 3.36Å; Q498-K519 PolarHBondContact O-NZ 3.11Å; T500-K519 PolarHBondContact O-NZ 2.94Å; V501-K519 HydrophobicContact CG2-CD 3.44Å; V501-K519 VanDerWaalsContact CG2-CD 3.44Å; E515-K519 HydrophobicContact CG-CD 4.32Å; E515-K519 VanDerWaalsContact CG-CE 3.45Å; E515-K519 WeakPolarHBondContact O-CG 3.22Å; E515-K519 PolarHBondContact O-N 2.91Å; E515-K519 WeakPolarHBondContact OE1-CE 3.28Å; E515-K519 IonicContact OE1-NZ 3.41Å; L516-K519 PolarHBondContact O-N 3.03Å; K517-K519 VanDerWaalsContact C-N 3.33Å; K517-K519 PolarHBondContact O-N 2.98Å; K519-S522 WeakPolarHBondContact CA-OG 3.39Å; K519-S522 PolarHBondContact O-OG 3.12Å
520	I	86.1	Confident	71	Confident	0 Å²	0	45 Å²	45	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.2	-43.8	175.2	-73.6	166.5	0	0	0	110.5	L338 I342 L344 F346 F369 V453 I479 L516 K517 A518 V523	L338-I520 HydrophobicContact CD1-CG2 4.06Å; L338-I520 HydrophobicContact CD2-CG2 4.24Å; I342-I520 HydrophobicContact CD1-CG2 3.13Å; L344-I520 HydrophobicContact CD1-CD1 4.48Å; L344-I520 HydrophobicContact CD1-CG2 4.5Å; L344-I520 HydrophobicContact CD2-CD1 4.35Å; L344-I520 HydrophobicContact CD2-CG2 4.45Å; F346-I520 HydrophobicContact CZ-CD1 4.49Å; F369-I520 HydrophobicContact CE1-CD1 4.11Å; F369-I520 HydrophobicContact CE2-CD1 4.17Å; F369-I520 HydrophobicContact CZ-CD1 3.48Å; F369-I520 VanDerWaalsContact CZ-CD1 3.48Å; V453-I520 HydrophobicContact CG2-CD1 3.92Å; V453-I520 HydrophobicContact CG2-CG1 4.01Å; I479-I520 HydrophobicContact CD1-CB 4.37Å; I479-I520 HydrophobicContact CD1-CG1 3.7Å; L516-I520 HydrophobicContact CD1-CD1 3.85Å; L516-I520 HydrophobicContact CD1-CG1 4.08Å; L516-I520 HydrophobicContact CD2-CD1 4.44Å; L516-I520 HydrophobicContact CG-CD1 3.71Å; L516-I520 HydrophobicContact CG-CG1 4.39Å; L516-I520 WeakPolarHBondContact O-CB 3.43Å; L516-I520 WeakPolarHBondContact O-CD1 3.37Å; L516-I520 VanDerWaalsContact O-CG1 3.23Å; L516-I520 WeakPolarHBondContact O-CG1 3.36Å; L516-I520 PolarHBondContact O-N 2.82Å; K517-I520 PolarHBondContact O-N 3.22Å; A518-I520 PolarHBondContact O-N 2.88Å; I520-V523 VanDerWaalsContact O-CG2 3.27Å; I520-V523 WeakPolarHBondContact O-CG2 3.35Å
521	C	77.3	Confident	70.7	Confident	23 Å²	23	44.5 Å²	44.5	16%	0.155	27%	0.274	C	S	.	.	H	α-helix	trans	-85.1	-11.7	178.1	-69.5	0	0	0	0	114.4	L338 C340 K517 A518 V523	L338-C521 WeakPolarHBondContact CD1-SG 3.21Å; C340-C521 HydrophobicContact CB-CB 3.74Å; C340-C521 WeakPolarHBondContact CB-SG 3.47Å; C340-C521 WeakPolarHBondContact SG-CA 3.48Å; C340-C521 WeakPolarHBondContact SG-CB 3.08Å; C340-C521 CovalentContact SG-SG 2.06Å; C340-C521 PolarHBondContact SG-SG 2.74Å; K517-C521 PolarHBondContact O-N 3.38Å; A518-C521 CarbonylContact O-C 3.43Å; A518-C521 PolarHBondContact O-N 2.88Å; C521-V523 PolarHBondContact O-N 3.36Å
522	S	66.1	Low	71.1	Confident	18 Å²	18	43 Å²	43	13%	0.126	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-75.9	-7	172.8	72.8	0	0	0	0	113	A518 K519 D524 M525 Q526	A518-S522 VanDerWaalsContact O-CB 3.23Å; A518-S522 WeakPolarHBondContact O-CB 3.43Å; A518-S522 PolarHBondContact O-N 3Å; A518-S522 PolarHBondContact O-OG 3.48Å; K519-S522 WeakPolarHBondContact CA-OG 3.39Å; K519-S522 PolarHBondContact O-OG 3.12Å; S522-D524 PolarHBondContact O-N 3.09Å; S522-M525 PolarHBondContact O-N 2.91Å; S522-Q526 PolarHBondContact O-N 2.83Å; S522-Q526 VanDerWaalsContact O-N 3.17Å; S522-Q526 PolarHBondContact OG-OE1 2.74Å
523	V	62.9	Low	71.3	Confident	15 Å²	15	40.4 Å²	40.4	9%	0.091	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-56.5	-27.4	171.9	176.2	0	0	0	0	111	P449 V451 F477 I520 C521	P449-V523 HydrophobicContact CB-CG1 3.82Å; V451-V523 HydrophobicContact CG2-CB 4.48Å; V451-V523 HydrophobicContact CG2-CG1 4.25Å; V451-V523 HydrophobicContact CG2-CG2 3.93Å; F477-V523 HydrophobicContact CB-CG1 4.35Å; F477-V523 HydrophobicContact CB-CG2 4.28Å; F477-V523 HydrophobicContact CD1-CG1 3.82Å; F477-V523 HydrophobicContact CD1-CG2 4.41Å; F477-V523 HydrophobicContact CD2-CG1 3.58Å; F477-V523 HydrophobicContact CE1-CG1 3.95Å; F477-V523 HydrophobicContact CE2-CG1 3.73Å; F477-V523 HydrophobicContact CG-CG1 3.64Å; F477-V523 HydrophobicContact CG-CG2 4.31Å; F477-V523 HydrophobicContact CZ-CG1 3.92Å; I520-V523 VanDerWaalsContact O-CG2 3.27Å; I520-V523 WeakPolarHBondContact O-CG2 3.35Å; C521-V523 PolarHBondContact O-N 3.36Å
524	D	46.6	Very low	71.8	Confident	96 Å²	96	40.1 Å²	40.1	51%	0.513	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-93.4	0.2	176.1	-159.3	26.4	0	0	0	113.9	S522 L529	S522-D524 PolarHBondContact O-N 3.09Å; D524-L529 WeakPolarHBondContact O-CD1 3.46Å; D524-L529 WeakPolarHBondContact O-CD2 3.3Å
525	M	47.2	Very low	72.6	Confident	144 Å²	144	38.2 Å²	38.2	71%	0.709	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.2	5.8	-173.4	-73.2	-167.9	-70.9	0	0	115.5	S522	S522-M525 PolarHBondContact O-N 2.91Å
526	Q	50.7	Low	73.4	Confident	43 Å²	43	35.3 Å²	35.3	20%	0.201	22%	0.217	C	C	.	.	S	Bend	trans	-101.5	113.6	-177	-79.9	176.7	-34.1	0	0	112.5	S522 Q563	S522-Q526 PolarHBondContact O-N 2.83Å; S522-Q526 VanDerWaalsContact O-N 3.17Å; S522-Q526 PolarHBondContact OG-OE1 2.74Å; Q526-Q563 CarbonylContact C-O 3.54Å
527	G	56.5	Low	73.8	Confident	12 Å²	12	35.3 Å²	35.3	12%	0.124	22%	0.218	C	C	.	.	S	Bend	trans	94.9	-176.4	-178.4	0	0	0	0	0	113.4	L529 Q563	G527-L529 PolarHBondContact O-N 3.5Å; G527-L529 VanDerWaalsContact O-N 3.09Å; G527-Q563 WeakPolarHBondContact CA-O 3.3Å; G527-Q563 PolarHBondContact N-O 3.02Å
528	C	61.4	Low	74.3	Confident	6 Å²	6	33.7 Å²	33.7	4%	0.041	21%	0.211	C	C	.	.	S	Bend	trans	-76.5	95.5	169.8	-45.2	0	0	0	0	106.5	G530 Q531 C709 V712	C528-G530 PolarHBondContact O-N 3.04Å; C528-Q531 HydrophobicContact CB-CB 3.74Å; C528-Q531 PolarHBondContact O-N 3.19Å; C528-C709 PolarHBondContact N-SG 2.91Å; C528-C709 VanDerWaalsContact SG-CA 3.56Å; C528-C709 PolarHBondContact SG-SG 3.21Å; C528-V712 HydrophobicContact CB-CB 4.15Å; C528-V712 HydrophobicContact CB-CG1 3.75Å; C528-V712 VanDerWaalsContact SG-CB 3.53Å
529	L	56.7	Low	75.3	Confident	89 Å²	89	30.8 Å²	30.8	47%	0.466	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-39.9	106.5	-179	-79.7	165.2	0	0	0	112.4	D524 G527 Q531	D524-L529 WeakPolarHBondContact O-CD1 3.46Å; D524-L529 WeakPolarHBondContact O-CD2 3.3Å; G527-L529 PolarHBondContact O-N 3.5Å; G527-L529 VanDerWaalsContact O-N 3.09Å; L529-Q531 PolarHBondContact O-N 3.09Å; L529-Q531 VanDerWaalsContact O-N 3.08Å
530	G	58	Low	76	Confident	80 Å²	80	29.6 Å²	29.6	83%	0.825	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	14.1	178.1	0	0	0	0	0	116	C528	C528-G530 PolarHBondContact O-N 3.04Å
531	Q	72.7	Confident	76.5	Confident	61 Å²	61	29.6 Å²	29.6	29%	0.285	18%	0.182	S	C	.	.			trans	-108.5	124.9	-177.2	-67.4	171.1	2.7	0	0	111	C528 L529 V712	C528-Q531 HydrophobicContact CB-CB 3.74Å; C528-Q531 PolarHBondContact O-N 3.19Å; L529-Q531 PolarHBondContact O-N 3.09Å; L529-Q531 VanDerWaalsContact O-N 3.08Å; Q531-V712 HydrophobicContact CB-CG1 3.67Å; Q531-V712 PolarHBondContact OE1-O 3.36Å
532	A	85	Confident	77.3	Confident	31 Å²	31	28.6 Å²	28.6	26%	0.256	18%	0.175	S	C	.	.			trans	-67.2	135.9	179.2	0	0	0	0	0	111.2	D569 V570 V635	A532-D569 WeakPolarHBondContact CB-O 3.42Å; A532-V570 CarbonylContact C-O 2.76Å; A532-V570 WeakPolarHBondContact CA-O 3.35Å; A532-V635 VanDerWaalsContact C-CG1 3.48Å; A532-V635 HydrophobicContact CB-CB 4.42Å; A532-V635 HydrophobicContact CB-CG1 3.79Å; A532-V635 HydrophobicContact CB-CG2 3.83Å; A532-V635 WeakPolarHBondContact O-CG1 3.43Å
533	V	91.2	Very high	78.6	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	140.6	175	61.8	0	0	0	0	112.1	F564 V570 A571 Q572 R632 N636 V712	V533-F564 HydrophobicContact CG1-CD1 4.04Å; V533-F564 HydrophobicContact CG1-CE1 4.23Å; V533-V570 PolarHBondContact N-O 2.89Å; V533-A571 HydrophobicContact CG1-CB 3.86Å; V533-A571 WeakPolarHBondContact O-CA 3.31Å; V533-Q572 PolarHBondContact O-N 3.05Å; V533-R632 PolarHBondContact O-NH2 3.47Å; V533-N636 WeakPolarHBondContact CA-O 3.32Å; V533-V712 HydrophobicContact CB-CG1 4.08Å; V533-V712 HydrophobicContact CB-CG2 3.78Å; V533-V712 HydrophobicContact CG2-CG2 3.48Å; V533-V712 VanDerWaalsContact CG2-CG2 3.48Å
534	D	94.6	Very high	79.8	Confident	0 Å²	0	34 Å²	34	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	109.9	168.7	-64.7	-10.6	0	0	0	108.7	Q572 L588 R632 N636 K637 A638	D534-Q572 PolarHBondContact OD1-OE1 3.18Å; D534-L588 HydrophobicContact CB-CD1 4.03Å; D534-L588 HydrophobicContact CB-CD2 4.12Å; D534-R632 IonicContact OD1-CZ 3.71Å; D534-R632 VanDerWaalsContact OD1-CZ 3.27Å; D534-R632 IonicContact OD1-NE 2.71Å; D534-R632 PolarHBondContact OD1-NE 2.85Å; D534-R632 IonicContact OD1-NH2 2.83Å; D534-R632 PolarHBondContact OD1-NH2 3.02Å; D534-R632 PolarHBondContact OD2-N 3.2Å; D534-N636 PolarHBondContact N-O 2.87Å; D534-K637 HydrophobicContact CB-CG 3.79Å; D534-K637 WeakPolarHBondContact O-CA 3.46Å; D534-K637 IonicContact OD2-NZ 3.71Å; D534-A638 PolarHBondContact O-N 2Å
535	L	95.4	Very high	82.1	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.7	-172.2	-174.2	61.3	0	0	0	110.7	F537 F564 Q572 V573 A574 A638 V640 V708	L535-F537 HydrophobicContact CD2-CE2 3.5Å; L535-F537 HydrophobicContact CD2-CZ 3.55Å; L535-F537 HydrophobicContact CG-CD2 4.37Å; L535-F537 HydrophobicContact CG-CE2 3.77Å; L535-F537 HydrophobicContact CG-CZ 4.01Å; L535-F564 HydrophobicContact CD2-CD2 3.92Å; L535-F564 HydrophobicContact CD2-CE1 4.49Å; L535-F564 HydrophobicContact CD2-CE2 3.58Å; L535-F564 HydrophobicContact CD2-CZ 3.9Å; L535-Q572 PolarHBondContact N-O 3.02Å; L535-V573 CarbonylContact O-C 3.13Å; L535-V573 VanDerWaalsContact O-CA 3.23Å; L535-V573 WeakPolarHBondContact O-CA 3.36Å; L535-A574 PolarHBondContact O-N 3.45Å; L535-A638 CarbonylContact C-O 3.34Å; L535-A638 WeakPolarHBondContact CA-O 3.36Å; L535-A638 HydrophobicContact CD1-CB 3.71Å; L535-V640 HydrophobicContact CD1-CG2 3.85Å; L535-V708 HydrophobicContact CD1-CG1 4.37Å; L535-V708 HydrophobicContact CD1-CG2 4.47Å
536	V	98.2	Very high	84.3	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.4	177.9	-173.6	0	0	0	0	109.6	A574 V576 L588 I620 V624 L625 A638 V639 V640	V536-A574 WeakPolarHBondContact CA-O 3.46Å; V536-A574 HydrophobicContact CG1-CB 4.33Å; V536-A574 HydrophobicContact CG2-CB 4.25Å; V536-V576 HydrophobicContact CG1-CG2 4.3Å; V536-L588 HydrophobicContact CG2-CD2 4.29Å; V536-I620 HydrophobicContact CG1-CD1 4.26Å; V536-I620 HydrophobicContact CG1-CG1 4.2Å; V536-I620 HydrophobicContact CG1-CG2 4.08Å; V536-V624 HydrophobicContact CG1-CG1 3.99Å; V536-V624 HydrophobicContact CG2-CG1 3.96Å; V536-L625 HydrophobicContact CG2-CD2 3.62Å; V536-L625 HydrophobicContact CG2-CG 4.49Å; V536-A638 PolarHBondContact N-O 3.33Å; V536-V639 HydrophobicContact CB-CG2 4.33Å; V536-V639 CarbonylContact O-C 3.44Å; V536-V639 WeakPolarHBondContact O-CA 3.42Å; V536-V640 PolarHBondContact O-N 2.87Å
537	F	98.4	Very high	86.3	Confident	1 Å²	1	30.3 Å²	30.3	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131.2	171.1	-69.6	-80.4	0	0	0	110.9	L535 L539 V557 I560 V573 A574 L575 V576 V640	L535-F537 HydrophobicContact CD2-CE2 3.5Å; L535-F537 HydrophobicContact CD2-CZ 3.55Å; L535-F537 HydrophobicContact CG-CD2 4.37Å; L535-F537 HydrophobicContact CG-CE2 3.77Å; L535-F537 HydrophobicContact CG-CZ 4.01Å; F537-L539 HydrophobicContact CB-CD1 3.82Å; F537-V557 HydrophobicContact CB-CG1 4.19Å; F537-V557 HydrophobicContact CB-CG2 4.07Å; F537-V557 HydrophobicContact CD1-CB 4.48Å; F537-V557 HydrophobicContact CD1-CG1 4.23Å; F537-V557 HydrophobicContact CD1-CG2 3.61Å; F537-V557 HydrophobicContact CD2-CG1 3.62Å; F537-V557 HydrophobicContact CD2-CG2 4.49Å; F537-V557 HydrophobicContact CE1-CG2 4.16Å; F537-V557 HydrophobicContact CE2-CG1 3.99Å; F537-V557 HydrophobicContact CG-CB 4.42Å; F537-V557 HydrophobicContact CG-CG1 3.75Å; F537-V557 HydrophobicContact CG-CG2 3.81Å; F537-V557 HydrophobicContact CZ-CG1 4.45Å; F537-I560 HydrophobicContact CE1-CB 4.38Å; F537-I560 HydrophobicContact CE1-CG2 4.15Å; F537-I560 HydrophobicContact CZ-CB 3.96Å; F537-I560 HydrophobicContact CZ-CG2 3.56Å; F537-V573 HydrophobicContact CD2-CG1 3.87Å; F537-V573 HydrophobicContact CE2-CG1 3.94Å; F537-A574 PolarHBondContact N-O 3.5Å; F537-L575 HydrophobicContact CB-CD1 3.8Å; F537-V576 PolarHBondContact O-N 2.89Å; F537-V640 HydrophobicContact CD1-CB 3.74Å; F537-V640 HydrophobicContact CD1-CG1 4.01Å; F537-V640 HydrophobicContact CD1-CG2 4.36Å; F537-V640 HydrophobicContact CE1-CB 3.87Å; F537-V640 HydrophobicContact CE1-CG1 4.02Å; F537-V640 HydrophobicContact CE1-CG2 4.04Å
538	A	97.9	Very high	88	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.008	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	111.3	172.1	0	0	0	0	0	109.3	V576 Y578 I620 V640 V641 L642	A538-V576 CarbonylContact C-O 3.43Å; A538-V576 WeakPolarHBondContact CA-O 3.28Å; A538-Y578 HydrophobicContact CB-CD1 4.27Å; A538-Y578 HydrophobicContact CB-CE1 4.06Å; A538-I620 HydrophobicContact CB-CD1 3.66Å; A538-V640 PolarHBondContact N-O 3.33Å; A538-V641 HydrophobicContact CB-CG2 4.42Å; A538-L642 PolarHBondContact O-N 3.18Å
539	L	97.4	Very high	89.6	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122.7	-178.1	-79.4	62.5	0	0	0	110	F537 A541 F550 L553 Q554 V557 L575 V576 A577 Y578 L642	F537-L539 HydrophobicContact CB-CD1 3.82Å; L539-A541 PolarHBondContact O-N 3.3Å; L539-F550 HydrophobicContact CB-CE2 4Å; L539-F550 HydrophobicContact CD2-CE2 4.29Å; L539-L553 HydrophobicContact CD2-CB 4.03Å; L539-L553 HydrophobicContact CG-CB 4.21Å; L539-Q554 HydrophobicContact CD2-CG 4.23Å; L539-V557 HydrophobicContact CD1-CG2 3.74Å; L539-V557 HydrophobicContact CD2-CG2 4.4Å; L539-V557 HydrophobicContact CG-CG2 4.36Å; L539-L575 HydrophobicContact CD1-CD1 3.3Å; L539-L575 HydrophobicContact CD2-CD1 4.16Å; L539-L575 HydrophobicContact CG-CD1 4.3Å; L539-V576 PolarHBondContact N-O 2.92Å; L539-A577 WeakPolarHBondContact O-CA 3.48Å; L539-Y578 VanDerWaalsContact C-CD1 3.44Å; L539-Y578 VanDerWaalsContact C-CE1 3.4Å; L539-Y578 WeakPolarHBondContact O-CD1 3.47Å; L539-Y578 PolarHBondContact O-N 2.87Å; L539-L642 HydrophobicContact CD1-CD1 3.95Å; L539-L642 HydrophobicContact CG-CD1 4.03Å
540	D	95.6	Very high	91.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	113	168.4	-167.9	-22.3	0	0	0	110	S542 V545 F550 Y578 L642 T643	D540-S542 WeakPolarHBondContact OD1-CB 3.41Å; D540-S542 PolarHBondContact OD1-N 3.43Å; D540-S542 PolarHBondContact OD1-OG 3.38Å; D540-V545 HydrophobicContact CB-CG2 3.77Å; D540-V545 VanDerWaalsContact CG-CG2 3.5Å; D540-F550 WeakPolarHBondContact O-CD2 3.4Å; D540-Y578 HydrophobicContact CB-CE1 4.14Å; D540-Y578 HydrophobicContact CB-CE2 4.36Å; D540-Y578 VanDerWaalsContact N-CE1 3.35Å; D540-L642 VanDerWaalsContact CB-O 3.25Å; D540-L642 WeakPolarHBondContact CB-O 3.49Å; D540-L642 PolarHBondContact N-O 2.89Å; D540-L642 VanDerWaalsContact N-O 3.08Å; D540-T643 PolarHBondContact OD2-OG1 3.15Å; D540-T643 VanDerWaalsContact OD2-OG1 3.12Å
541	A	96.2	Very high	93.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.188	C	C	.	.			trans	-108.8	25.3	179.7	0	0	0	0	0	111.3	L539 F550 A577 Y578 Y606 M607 G608	L539-A541 PolarHBondContact O-N 3.3Å; A541-F550 HydrophobicContact CB-CD2 3.89Å; A541-F550 HydrophobicContact CB-CE2 3.46Å; A541-F550 VanDerWaalsContact CB-CE2 3.46Å; A541-F550 HydrophobicContact CB-CZ 4.12Å; A541-A577 HydrophobicContact CB-CB 4.36Å; A541-Y578 WeakPolarHBondContact CA-O 3.49Å; A541-Y578 WeakPolarHBondContact CB-O 3.45Å; A541-Y578 PolarHBondContact N-O 3.49Å; A541-Y606 WeakPolarHBondContact O-CE2 3.31Å; A541-M607 HydrophobicContact CB-CB 4.07Å; A541-M607 HydrophobicContact CB-CG 4.02Å; A541-M607 HydrophobicContact CB-SD 4.3Å; A541-M607 PolarHBondContact O-N 2.91Å; A541-G608 WeakPolarHBondContact O-CA 3.23Å; A541-G608 PolarHBondContact O-N 3.38Å
542	S	95.1	Very high	94.1	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.014	19%	0.187	C	C	.	.	S	Bend	trans	-84	173.2	-175.8	74.9	0	0	0	0	114	D540 G544 V545 G546 Y606 G609	D540-S542 WeakPolarHBondContact OD1-CB 3.41Å; D540-S542 PolarHBondContact OD1-N 3.43Å; D540-S542 PolarHBondContact OD1-OG 3.38Å; S542-G544 PolarHBondContact O-N 3.48Å; S542-G544 PolarHBondContact OG-N 3.06Å; S542-V545 PolarHBondContact O-N 3.37Å; S542-G546 PolarHBondContact O-N 3.41Å; S542-Y606 VanDerWaalsContact O-CE2 3.24Å; S542-Y606 WeakPolarHBondContact O-CE2 3.12Å; S542-Y606 PolarHBondContact O-OH 3.34Å; S542-Y606 VanDerWaalsContact O-OH 3.05Å; S542-G609 WeakPolarHBondContact CB-O 3.15Å
543	V	92.6	Very high	94.7	Very high	101 Å²	101	31.4 Å²	31.4	61%	0.612	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.6	177.3	75.2	0	0	0	0	113.9	Y606 G609	V543-Y606 WeakPolarHBondContact CA-OH 3.48Å; V543-G609 WeakPolarHBondContact CG1-O 3.37Å; V543-G609 PolarHBondContact N-O 3.17Å
544	G	89.1	Confident	94.8	Very high	46 Å²	46	32.1 Å²	32.1	47%	0.474	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-39.6	177.9	0	0	0	0	0	112.2	S542 D644	S542-G544 PolarHBondContact O-N 3.48Å; S542-G544 PolarHBondContact OG-N 3.06Å; G544-D644 VanDerWaalsContact C-OD2 3.27Å
545	V	93.6	Very high	94.4	Very high	1 Å²	1	36 Å²	36	1%	0.006	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-51.3	174.1	179.5	0	0	0	0	110.4	D540 S542 N549 F550 L553 Y694	D540-V545 HydrophobicContact CB-CG2 3.77Å; D540-V545 VanDerWaalsContact CG-CG2 3.5Å; S542-V545 PolarHBondContact O-N 3.37Å; V545-N549 HydrophobicContact CG1-CB 3.77Å; V545-N549 VanDerWaalsContact O-CB 3.22Å; V545-N549 WeakPolarHBondContact O-CB 3.37Å; V545-N549 PolarHBondContact O-ND2 2.58Å; V545-F550 HydrophobicContact CG1-CB 4.3Å; V545-L553 HydrophobicContact CG1-CD1 4Å; V545-Y694 HydrophobicContact CG1-CE1 4.03Å
546	G	93.1	Very high	94.3	Very high	19 Å²	19	36.2 Å²	36.2	20%	0.196	20%	0.199	C	C	.	.			trans	79.6	164.2	-174.8	0	0	0	0	0	113.4	S542 E548 F550 Y606	S542-G546 PolarHBondContact O-N 3.41Å; G546-E548 PolarHBondContact O-N 3.34Å; G546-F550 WeakPolarHBondContact O-CB 3.42Å; G546-F550 PolarHBondContact O-N 3.28Å; G546-Y606 WeakPolarHBondContact CA-OH 3.38Å
547	R	94.1	Very high	94.1	Very high	185 Å²	185	36.2 Å²	36.2	70%	0.698	20%	0.2	S	C	*	.	H	α-helix	trans	-69	-37.2	-169.1	-176.4	179.6	-91.5	-96.1	2.3	113.5	A551 Y606	R547-A551 PolarHBondContact O-N 3.34Å; R547-Y606 HydrophobicContact CB-CD1 4.22Å; R547-Y606 HydrophobicContact CB-CE1 4.38Å; R547-Y606 HydrophobicContact CB-CG 4.38Å
548	E	91.9	Very high	93.5	Very high	169 Å²	169	39.4 Å²	39.4	79%	0.79	21%	0.211	S	C	*	.	H	α-helix	trans	-71.3	-47	-179.6	-64.9	-174.3	174.3	0	0	111.5	G546 F550 A551 T552	G546-E548 PolarHBondContact O-N 3.34Å; E548-F550 VanDerWaalsContact C-N 3.28Å; E548-F550 PolarHBondContact O-N 3.15Å; E548-A551 WeakPolarHBondContact O-CB 3.41Å; E548-A551 PolarHBondContact O-N 3.27Å; E548-A551 VanDerWaalsContact O-N 3.09Å; E548-T552 PolarHBondContact O-N 2.81Å; E548-T552 PolarHBondContact O-OG1 3.44Å
549	N	94.9	Very high	92.7	Very high	47 Å²	47	40.3 Å²	40.3	25%	0.251	22%	0.218	S	C	.	.	H	α-helix	trans	-65.9	-32.4	176.7	-64.1	-32.5	0	0	0	112	V545 A551 T552 L553 Y694	V545-N549 HydrophobicContact CG1-CB 3.77Å; V545-N549 VanDerWaalsContact O-CB 3.22Å; V545-N549 WeakPolarHBondContact O-CB 3.37Å; V545-N549 PolarHBondContact O-ND2 2.58Å; N549-A551 VanDerWaalsContact C-N 3.27Å; N549-A551 PolarHBondContact O-N 3.25Å; N549-T552 CarbonylContact O-C 3.59Å; N549-T552 WeakPolarHBondContact O-CA 3.22Å; N549-T552 VanDerWaalsContact O-CB 3.28Å; N549-T552 WeakPolarHBondContact O-CB 3.45Å; N549-T552 PolarHBondContact O-N 2.9Å; N549-L553 PolarHBondContact O-N 2.8Å; N549-Y694 HydrophobicContact CB-CD1 3.7Å; N549-Y694 HydrophobicContact CB-CD2 3.95Å; N549-Y694 HydrophobicContact CB-CE1 3.68Å; N549-Y694 HydrophobicContact CB-CE2 3.94Å; N549-Y694 HydrophobicContact CB-CG 3.83Å; N549-Y694 VanDerWaalsContact CG-CD2 3.48Å
550	F	96.5	Very high	92.2	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-59.9	-38	172.5	-175.1	-101.6	0	0	0	112.1	L539 D540 A541 V545 G546 E548 T552 L553 Q554 A577 A604 Y606	L539-F550 HydrophobicContact CB-CE2 4Å; L539-F550 HydrophobicContact CD2-CE2 4.29Å; D540-F550 WeakPolarHBondContact O-CD2 3.4Å; A541-F550 HydrophobicContact CB-CD2 3.89Å; A541-F550 HydrophobicContact CB-CE2 3.46Å; A541-F550 VanDerWaalsContact CB-CE2 3.46Å; A541-F550 HydrophobicContact CB-CZ 4.12Å; V545-F550 HydrophobicContact CG1-CB 4.3Å; G546-F550 WeakPolarHBondContact O-CB 3.42Å; G546-F550 PolarHBondContact O-N 3.28Å; E548-F550 VanDerWaalsContact C-N 3.28Å; E548-F550 PolarHBondContact O-N 3.15Å; F550-T552 VanDerWaalsContact C-N 3.29Å; F550-T552 PolarHBondContact O-N 2.95Å; F550-L553 WeakPolarHBondContact O-CB 3.33Å; F550-L553 PolarHBondContact O-N 2.77Å; F550-Q554 HydrophobicContact CD1-CG 4.27Å; F550-Q554 HydrophobicContact CE1-CG 3.98Å; F550-Q554 HydrophobicContact CZ-CG 4.43Å; F550-Q554 WeakPolarHBondContact O-CG 3.28Å; F550-Q554 PolarHBondContact O-N 2.86Å; F550-A577 HydrophobicContact CZ-CB 4.4Å; F550-A604 HydrophobicContact CZ-CB 4.4Å; F550-Y606 HydrophobicContact CB-CD2 3.77Å; F550-Y606 HydrophobicContact CB-CE2 4.46Å; F550-Y606 HydrophobicContact CD1-CD2 4.35Å; F550-Y606 HydrophobicContact CD2-CD2 4.3Å; F550-Y606 AromaticContact CG-CD2 3.88Å; F550-Y606 HydrophobicContact CG-CD2 3.88Å
551	A	93.4	Very high	91.7	Very high	38 Å²	38	40.4 Å²	40.4	31%	0.314	22%	0.218	S	C	.	.	H	α-helix	trans	-63.1	-37.7	173	0	0	0	0	0	111.7	R547 E548 N549 L553 Q554 D555	R547-A551 PolarHBondContact O-N 3.34Å; E548-A551 WeakPolarHBondContact O-CB 3.41Å; E548-A551 PolarHBondContact O-N 3.27Å; E548-A551 VanDerWaalsContact O-N 3.09Å; N549-A551 VanDerWaalsContact C-N 3.27Å; N549-A551 PolarHBondContact O-N 3.25Å; A551-L553 VanDerWaalsContact C-N 3.34Å; A551-L553 PolarHBondContact O-N 2.92Å; A551-Q554 WeakPolarHBondContact O-CB 3.45Å; A551-Q554 PolarHBondContact O-N 3.18Å; A551-D555 PolarHBondContact O-N 3.49Å
552	T	92.6	Very high	90.6	Very high	44 Å²	44	40.8 Å²	40.8	27%	0.27	22%	0.221	S	C	.	.	H	α-helix	trans	-63.5	-38.8	173.8	-51	0	0	0	0	111.9	E548 N549 F550 D555 F556 Y694 L697	E548-T552 PolarHBondContact O-N 2.81Å; E548-T552 PolarHBondContact O-OG1 3.44Å; N549-T552 CarbonylContact O-C 3.59Å; N549-T552 WeakPolarHBondContact O-CA 3.22Å; N549-T552 VanDerWaalsContact O-CB 3.28Å; N549-T552 WeakPolarHBondContact O-CB 3.45Å; N549-T552 PolarHBondContact O-N 2.9Å; F550-T552 VanDerWaalsContact C-N 3.29Å; F550-T552 PolarHBondContact O-N 2.95Å; T552-D555 PolarHBondContact O-N 3.31Å; T552-F556 WeakPolarHBondContact O-CB 3.32Å; T552-F556 PolarHBondContact O-N 2.94Å; T552-Y694 WeakPolarHBondContact CG2-O 3.41Å; T552-L697 HydrophobicContact CG2-CD1 4.37Å
553	L	96.4	Very high	89.7	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-40.5	172.8	-61.3	-174.1	0	0	0	112.1	L539 V545 N549 F550 A551 F556 V557 L642 I670 Y694 L697	L539-L553 HydrophobicContact CD2-CB 4.03Å; L539-L553 HydrophobicContact CG-CB 4.21Å; V545-L553 HydrophobicContact CG1-CD1 4Å; N549-L553 PolarHBondContact O-N 2.8Å; F550-L553 WeakPolarHBondContact O-CB 3.33Å; F550-L553 PolarHBondContact O-N 2.77Å; A551-L553 VanDerWaalsContact C-N 3.34Å; A551-L553 PolarHBondContact O-N 2.92Å; L553-F556 PolarHBondContact O-N 2.85Å; L553-V557 WeakPolarHBondContact O-CG2 3.25Å; L553-V557 PolarHBondContact O-N 3.39Å; L553-L642 HydrophobicContact CD1-CB 4.44Å; L553-L642 HydrophobicContact CD2-CB 4.2Å; L553-I670 HydrophobicContact CD2-CD1 3.54Å; L553-Y694 HydrophobicContact CD2-CD1 4.02Å; L553-Y694 HydrophobicContact CD2-CE1 3.97Å; L553-Y694 HydrophobicContact CG-CD1 4.48Å; L553-Y694 HydrophobicContact CG-CE1 4.28Å; L553-L697 HydrophobicContact CD2-CD1 3.8Å
554	Q	93.9	Very high	89.1	Confident	16 Å²	16	37 Å²	37	8%	0.075	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-42.9	174.6	-66.5	174.4	-66.4	0	0	111.3	L539 F550 A551 V557 R558 V601 G602 A604	L539-Q554 HydrophobicContact CD2-CG 4.23Å; F550-Q554 HydrophobicContact CD1-CG 4.27Å; F550-Q554 HydrophobicContact CE1-CG 3.98Å; F550-Q554 HydrophobicContact CZ-CG 4.43Å; F550-Q554 WeakPolarHBondContact O-CG 3.28Å; F550-Q554 PolarHBondContact O-N 2.86Å; A551-Q554 WeakPolarHBondContact O-CB 3.45Å; A551-Q554 PolarHBondContact O-N 3.18Å; Q554-V557 PolarHBondContact O-N 3.25Å; Q554-R558 WeakPolarHBondContact O-CB 3.29Å; Q554-R558 VanDerWaalsContact O-CG 3.31Å; Q554-R558 WeakPolarHBondContact O-CG 3.4Å; Q554-R558 PolarHBondContact O-N 2.89Å; Q554-V601 HydrophobicContact CB-CG1 4.09Å; Q554-V601 HydrophobicContact CG-CG1 4.49Å; Q554-V601 PolarHBondContact NE2-O 3.42Å; Q554-V601 WeakPolarHBondContact O-CG1 3.35Å; Q554-G602 PolarHBondContact NE2-O 3.41Å; Q554-A604 PolarHBondContact NE2-O 3.37Å
555	D	87	Confident	88.4	Confident	81 Å²	81	39.3 Å²	39.3	43%	0.433	20%	0.198	S	C	.	.	H	α-helix	trans	-62.5	-43.4	177.4	-71.6	-5.9	0	0	0	111.2	A551 T552 R558 S559	A551-D555 PolarHBondContact O-N 3.49Å; T552-D555 PolarHBondContact O-N 3.31Å; D555-R558 WeakPolarHBondContact O-CB 3.46Å; D555-R558 PolarHBondContact O-N 2.71Å; D555-R558 IonicContact OD1-CZ 2.67Å; D555-R558 IonicContact OD1-NH1 3.92Å; D555-R558 PolarHBondContact OD1-NH1 3.49Å; D555-R558 IonicContact OD1-NH2 3.79Å; D555-R558 PolarHBondContact OD1-NH2 3Å; D555-S559 PolarHBondContact O-N 3.14Å
556	F	92	Very high	87.7	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-49.2	175.7	-178.6	-105	0	0	0	111.6	T552 L553 R558 S559 I560 L642 L697 E701 L704	T552-F556 WeakPolarHBondContact O-CB 3.32Å; T552-F556 PolarHBondContact O-N 2.94Å; L553-F556 PolarHBondContact O-N 2.85Å; F556-R558 VanDerWaalsContact C-N 3.29Å; F556-R558 PolarHBondContact O-N 2.99Å; F556-S559 PolarHBondContact O-N 3.11Å; F556-S559 VanDerWaalsContact O-N 3.09Å; F556-I560 HydrophobicContact CD1-CG1 4.23Å; F556-I560 HydrophobicContact CE1-CD1 4.35Å; F556-I560 HydrophobicContact CE1-CG1 3.89Å; F556-I560 HydrophobicContact CE2-CD1 4.05Å; F556-I560 HydrophobicContact CE2-CG1 4.2Å; F556-I560 HydrophobicContact CZ-CD1 3.85Å; F556-I560 HydrophobicContact CZ-CG1 3.89Å; F556-I560 WeakPolarHBondContact O-CG1 3.31Å; F556-I560 PolarHBondContact O-N 2.94Å; F556-L642 HydrophobicContact CD1-CD1 4.02Å; F556-L642 HydrophobicContact CD1-CD2 3.73Å; F556-L642 HydrophobicContact CE1-CD2 3.64Å; F556-L697 HydrophobicContact CB-CD1 4.36Å; F556-L697 HydrophobicContact CD2-CB 3.76Å; F556-L697 HydrophobicContact CE2-CB 4.21Å; F556-L697 WeakPolarHBondContact CE2-O 3.44Å; F556-L697 HydrophobicContact CG-CB 4.25Å; F556-L697 HydrophobicContact CG-CD1 4.47Å; F556-E701 HydrophobicContact CD2-CG 3.9Å; F556-E701 HydrophobicContact CE2-CB 4.5Å; F556-E701 HydrophobicContact CE2-CG 3.62Å; F556-L704 HydrophobicContact CE1-CD2 3.77Å; F556-L704 HydrophobicContact CZ-CD2 3.8Å
557	V	94.8	Very high	86.9	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-62.2	-37.1	176.4	171.6	0	0	0	0	112.3	F537 L539 L553 Q554 S559 I560 S561 L575 V601 L642	F537-V557 HydrophobicContact CB-CG1 4.19Å; F537-V557 HydrophobicContact CB-CG2 4.07Å; F537-V557 HydrophobicContact CD1-CB 4.48Å; F537-V557 HydrophobicContact CD1-CG1 4.23Å; F537-V557 HydrophobicContact CD1-CG2 3.61Å; F537-V557 HydrophobicContact CD2-CG1 3.62Å; F537-V557 HydrophobicContact CD2-CG2 4.49Å; F537-V557 HydrophobicContact CE1-CG2 4.16Å; F537-V557 HydrophobicContact CE2-CG1 3.99Å; F537-V557 HydrophobicContact CG-CB 4.42Å; F537-V557 HydrophobicContact CG-CG1 3.75Å; F537-V557 HydrophobicContact CG-CG2 3.81Å; F537-V557 HydrophobicContact CZ-CG1 4.45Å; L539-V557 HydrophobicContact CD1-CG2 3.74Å; L539-V557 HydrophobicContact CD2-CG2 4.4Å; L539-V557 HydrophobicContact CG-CG2 4.36Å; L553-V557 WeakPolarHBondContact O-CG2 3.25Å; L553-V557 PolarHBondContact O-N 3.39Å; Q554-V557 PolarHBondContact O-N 3.25Å; V557-S559 VanDerWaalsContact C-N 3.35Å; V557-I560 PolarHBondContact O-N 2.82Å; V557-S561 VanDerWaalsContact O-CB 3.25Å; V557-S561 WeakPolarHBondContact O-CB 3.43Å; V557-S561 PolarHBondContact O-N 2.89Å; V557-S561 PolarHBondContact O-OG 2.95Å; V557-L575 HydrophobicContact CG1-CD1 4.31Å; V557-V601 HydrophobicContact CB-CG1 4.21Å; V557-V601 HydrophobicContact CG1-CG1 4.1Å; V557-V601 HydrophobicContact CG1-CG2 4.04Å; V557-L642 HydrophobicContact CG2-CD1 3.45Å; V557-L642 VanDerWaalsContact CG2-CD1 3.45Å
558	R	86.4	Confident	86.2	Confident	67 Å²	67	39.2 Å²	39.2	25%	0.253	20%	0.195	S	C	.	.	H	α-helix	trans	-60.4	-44.7	172.8	-79	-172.2	-115	122.4	9.1	111.2	Q554 D555 F556 V562 L598 V601	Q554-R558 WeakPolarHBondContact O-CB 3.29Å; Q554-R558 VanDerWaalsContact O-CG 3.31Å; Q554-R558 WeakPolarHBondContact O-CG 3.4Å; Q554-R558 PolarHBondContact O-N 2.89Å; D555-R558 WeakPolarHBondContact O-CB 3.46Å; D555-R558 PolarHBondContact O-N 2.71Å; D555-R558 IonicContact OD1-CZ 2.67Å; D555-R558 IonicContact OD1-NH1 3.92Å; D555-R558 PolarHBondContact OD1-NH1 3.49Å; D555-R558 IonicContact OD1-NH2 3.79Å; D555-R558 PolarHBondContact OD1-NH2 3Å; F556-R558 VanDerWaalsContact C-N 3.29Å; F556-R558 PolarHBondContact O-N 2.99Å; R558-V562 WeakPolarHBondContact O-CG2 3.27Å; R558-V562 PolarHBondContact O-N 2.86Å; R558-L598 HydrophobicContact CB-CD2 3.46Å; R558-L598 VanDerWaalsContact CB-CD2 3.46Å; R558-L598 WeakPolarHBondContact CD-O 3.37Å; R558-L598 HydrophobicContact CG-CD2 3.59Å; R558-L598 WeakPolarHBondContact O-CD2 3.38Å; R558-V601 HydrophobicContact CG-CB 3.86Å; R558-V601 HydrophobicContact CG-CG1 3.74Å
559	S	80.3	Confident	85.2	Confident	20 Å²	20	37.4 Å²	37.4	14%	0.14	19%	0.191	C	C	.	.	H	α-helix	trans	-66.6	-41.7	178.7	-158.6	0	0	0	0	112.6	Q498 D555 F556 V557 V562 E701	Q498-S559 PolarHBondContact NE2-OG 2.76Å; Q498-S559 VanDerWaalsContact NE2-OG 3.15Å; D555-S559 PolarHBondContact O-N 3.14Å; F556-S559 PolarHBondContact O-N 3.11Å; F556-S559 VanDerWaalsContact O-N 3.09Å; V557-S559 VanDerWaalsContact C-N 3.35Å; S559-V562 WeakPolarHBondContact O-CB 3.43Å; S559-V562 PolarHBondContact O-N 3.1Å; S559-E701 WeakPolarHBondContact CB-OE1 3.25Å; S559-E701 WeakPolarHBondContact CB-OE2 3.44Å; S559-E701 PolarHBondContact OG-OE1 3.09Å; S559-E701 PolarHBondContact OG-OE2 2.84Å
560	I	85.9	Confident	84.5	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-66.4	-46.8	176.8	-59.4	-64.2	0	0	0	111.5	F537 F556 V557 V562 Q563 F564 E701 L704 V705	F537-I560 HydrophobicContact CE1-CB 4.38Å; F537-I560 HydrophobicContact CE1-CG2 4.15Å; F537-I560 HydrophobicContact CZ-CB 3.96Å; F537-I560 HydrophobicContact CZ-CG2 3.56Å; F556-I560 HydrophobicContact CD1-CG1 4.23Å; F556-I560 HydrophobicContact CE1-CD1 4.35Å; F556-I560 HydrophobicContact CE1-CG1 3.89Å; F556-I560 HydrophobicContact CE2-CD1 4.05Å; F556-I560 HydrophobicContact CE2-CG1 4.2Å; F556-I560 HydrophobicContact CZ-CD1 3.85Å; F556-I560 HydrophobicContact CZ-CG1 3.89Å; F556-I560 WeakPolarHBondContact O-CG1 3.31Å; F556-I560 PolarHBondContact O-N 2.94Å; V557-I560 PolarHBondContact O-N 2.82Å; I560-V562 PolarHBondContact O-N 3.28Å; I560-Q563 WeakPolarHBondContact O-CB 3.21Å; I560-Q563 PolarHBondContact O-N 2.89Å; I560-F564 HydrophobicContact CG2-CD2 4.37Å; I560-F564 HydrophobicContact CG2-CE2 3.71Å; I560-F564 VanDerWaalsContact O-CD2 3.32Å; I560-F564 WeakPolarHBondContact O-CD2 3.31Å; I560-E701 HydrophobicContact CD1-CB 3.84Å; I560-E701 HydrophobicContact CD1-CG 4.03Å; I560-E701 WeakPolarHBondContact CD1-O 3.34Å; I560-L704 HydrophobicContact CD1-CB 4.32Å; I560-L704 HydrophobicContact CD1-CD2 3.99Å; I560-L704 HydrophobicContact CG1-CD2 4.08Å; I560-L704 HydrophobicContact CG2-CD2 4.49Å; I560-V705 HydrophobicContact CD1-CG2 4.17Å; I560-V705 HydrophobicContact CG2-CG2 4.22Å
561	S	85.3	Confident	84.1	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.014	19%	0.189	C	C	.	.	H	α-helix	trans	-58.1	-27.7	-176.8	-60.5	0	0	0	0	112.4	V557 Q563 F564	V557-S561 VanDerWaalsContact O-CB 3.25Å; V557-S561 WeakPolarHBondContact O-CB 3.43Å; V557-S561 PolarHBondContact O-N 2.89Å; V557-S561 PolarHBondContact O-OG 2.95Å; S561-Q563 VanDerWaalsContact C-N 3.3Å; S561-Q563 PolarHBondContact O-N 3.36Å; S561-F564 PolarHBondContact O-N 2.87Å
562	V	73.9	Confident	84.1	Confident	9 Å²	9	35.8 Å²	35.8	6%	0.055	18%	0.178	C	C	.	.	H	α-helix	trans	-70.8	-24.5	178.3	164.8	0	0	0	0	112.8	N496 P497 Q498 R558 S559 I560 F564 L598	N496-V562 HydrophobicContact CB-CG1 3.9Å; N496-V562 WeakPolarHBondContact ND2-CG1 3.27Å; N496-V562 PolarHBondContact ND2-O 2.9Å; N496-V562 WeakPolarHBondContact OD1-CG1 3.42Å; P497-V562 HydrophobicContact CG-CG2 4.41Å; Q498-V562 HydrophobicContact CB-CG1 4.11Å; Q498-V562 HydrophobicContact CG-CG1 3.9Å; R558-V562 WeakPolarHBondContact O-CG2 3.27Å; R558-V562 PolarHBondContact O-N 2.86Å; S559-V562 WeakPolarHBondContact O-CB 3.43Å; S559-V562 PolarHBondContact O-N 3.1Å; I560-V562 PolarHBondContact O-N 3.28Å; V562-F564 PolarHBondContact O-N 3.48Å; V562-L598 HydrophobicContact CG2-CD1 3.9Å; V562-L598 HydrophobicContact CG2-CD2 3.68Å; V562-L598 HydrophobicContact CG2-CG 4.13Å
563	Q	76.1	Confident	84.2	Confident	12 Å²	12	33.7 Å²	33.7	6%	0.056	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-9.4	178.2	-57.1	-72	3.4	0	0	112.7	Q526 G527 I560 S561 V705	Q526-Q563 CarbonylContact C-O 3.54Å; G527-Q563 WeakPolarHBondContact CA-O 3.3Å; G527-Q563 PolarHBondContact N-O 3.02Å; I560-Q563 WeakPolarHBondContact O-CB 3.21Å; I560-Q563 PolarHBondContact O-N 2.89Å; S561-Q563 VanDerWaalsContact C-N 3.3Å; S561-Q563 PolarHBondContact O-N 3.36Å; Q563-V705 HydrophobicContact CB-CG1 4.3Å; Q563-V705 HydrophobicContact CB-CG2 3.81Å; Q563-V705 HydrophobicContact CG-CG2 3.95Å
564	F	79.1	Confident	84.3	Confident	12 Å²	12	33.7 Å²	33.7	5%	0.053	17%	0.165	C	C	.	.	S	Bend	trans	-103.9	138.9	176.9	-64.7	-86.9	0	0	0	110.7	V533 L535 I560 S561 V562 V566 A571 V705 V708	V533-F564 HydrophobicContact CG1-CD1 4.04Å; V533-F564 HydrophobicContact CG1-CE1 4.23Å; L535-F564 HydrophobicContact CD2-CD2 3.92Å; L535-F564 HydrophobicContact CD2-CE1 4.49Å; L535-F564 HydrophobicContact CD2-CE2 3.58Å; L535-F564 HydrophobicContact CD2-CZ 3.9Å; I560-F564 HydrophobicContact CG2-CD2 4.37Å; I560-F564 HydrophobicContact CG2-CE2 3.71Å; I560-F564 VanDerWaalsContact O-CD2 3.32Å; I560-F564 WeakPolarHBondContact O-CD2 3.31Å; S561-F564 PolarHBondContact O-N 2.87Å; V562-F564 PolarHBondContact O-N 3.48Å; F564-V566 PolarHBondContact O-N 3.2Å; F564-A571 HydrophobicContact CB-CB 3.75Å; F564-A571 HydrophobicContact CD1-CB 4.36Å; F564-A571 HydrophobicContact CG-CB 4.43Å; F564-V705 HydrophobicContact CE2-CG2 4.36Å; F564-V708 HydrophobicContact CE1-CG1 3.99Å; F564-V708 HydrophobicContact CZ-CB 4.21Å; F564-V708 HydrophobicContact CZ-CG1 3.8Å
565	D	75.3	Confident	84.5	Confident	94 Å²	94	33 Å²	33	50%	0.503	16%	0.162	S	C	.	.			trans	-75.3	89.9	169.4	-178.9	16.2	0	0	0	109.6	N567 V570 A571	D565-N567 PolarHBondContact O-N 2.85Å; D565-N567 PolarHBondContact O-ND2 3.11Å; D565-N567 PolarHBondContact OD1-ND2 3.3Å; D565-N567 VanDerWaalsContact OD1-ND2 3.09Å; D565-N567 PolarHBondContact OD2-ND2 3.41Å; D565-V570 HydrophobicContact CB-CB 4.46Å; D565-V570 HydrophobicContact CB-CG1 4.13Å; D565-V570 WeakPolarHBondContact O-CB 3.38Å; D565-A571 WeakPolarHBondContact O-CB 3.37Å; D565-A571 PolarHBondContact O-N 3.29Å
566	V	79.2	Confident	85.1	Confident	10 Å²	10	29.1 Å²	29.1	6%	0.061	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-75.4	108.7	-177.3	-177.9	0	0	0	0	109.9	F564 A571 V573 I597	F564-V566 PolarHBondContact O-N 3.2Å; V566-A571 VanDerWaalsContact CA-O 3.28Å; V566-A571 WeakPolarHBondContact CA-O 3.29Å; V566-V573 HydrophobicContact CG2-CG2 3.92Å; V566-I597 HydrophobicContact CB-CD1 3.96Å; V566-I597 HydrophobicContact CG1-CD1 3.26Å; V566-I597 HydrophobicContact CG1-CG1 4.48Å; V566-I597 HydrophobicContact CG2-CD1 3.66Å
567	N	76.8	Confident	85.3	Confident	38 Å²	38	29.1 Å²	29.1	20%	0.203	14%	0.142	C	C	.	.	S	Bend	trans	-159.6	176.9	170.5	64.5	64.6	0	0	0	109.1	D565 D569 V570 A571	D565-N567 PolarHBondContact O-N 2.85Å; D565-N567 PolarHBondContact O-ND2 3.11Å; D565-N567 PolarHBondContact OD1-ND2 3.3Å; D565-N567 VanDerWaalsContact OD1-ND2 3.09Å; D565-N567 PolarHBondContact OD2-ND2 3.41Å; N567-D569 PolarHBondContact O-N 3.33Å; N567-D569 WeakPolarHBondContact OD1-CA 3.15Å; N567-D569 PolarHBondContact OD1-N 3.3Å; N567-V570 PolarHBondContact OD1-N 3.24Å; N567-A571 PolarHBondContact N-O 3.04Å; N567-A571 VanDerWaalsContact N-O 3.1Å; N567-A571 CarbonylContact O-C 3.59Å
568	R	78.1	Confident	85.4	Confident	154 Å²	154	29 Å²	29	58%	0.581	14%	0.141	S	C	*	.	S	Bend	trans	-65.6	-24	-175.3	-69.7	-172.8	170.9	-156.6	-1.7	114.4	E592 R632	R568-E592 HydrophobicContact CG-CG 4.11Å; R568-E592 IonicContact CZ-OE1 3.63Å; R568-E592 VanDerWaalsContact NE-CD 3.27Å; R568-E592 IonicContact NE-OE1 3.09Å; R568-E592 PolarHBondContact NE-OE1 2.93Å; R568-E592 IonicContact NE-OE2 2.79Å; R568-E592 IonicContact NH2-OE1 2.75Å; R568-E592 PolarHBondContact NH2-OE1 3.46Å; R568-R632 PolarHBondContact O-NH1 3.35Å
569	D	71.2	Confident	85.7	Confident	132 Å²	132	27 Å²	27	71%	0.706	14%	0.136	S	C	*	.	S	Bend	trans	-102	-30.1	-170.7	-60.6	-43.8	0	0	0	112.1	A532 N567 R632	A532-D569 WeakPolarHBondContact CB-O 3.42Å; N567-D569 PolarHBondContact O-N 3.33Å; N567-D569 WeakPolarHBondContact OD1-CA 3.15Å; N567-D569 PolarHBondContact OD1-N 3.3Å; D569-R632 PolarHBondContact O-NH1 3.46Å
570	V	81.1	Confident	86.2	Confident	34 Å²	34	35 Å²	35	21%	0.206	16%	0.163	C	C	.	.	S	Bend	trans	-101.6	-88.6	-177.6	-172.4	0	0	0	0	110.5	A532 V533 D565 N567 R632	A532-V570 CarbonylContact C-O 2.76Å; A532-V570 WeakPolarHBondContact CA-O 3.35Å; V533-V570 PolarHBondContact N-O 2.89Å; D565-V570 HydrophobicContact CB-CB 4.46Å; D565-V570 HydrophobicContact CB-CG1 4.13Å; D565-V570 WeakPolarHBondContact O-CB 3.38Å; N567-V570 PolarHBondContact OD1-N 3.24Å; V570-R632 PolarHBondContact O-NH1 3.48Å; V570-R632 PolarHBondContact O-NH2 3.41Å
571	A	88	Confident	86.5	Confident	2 Å²	2	44.3 Å²	44.3	2%	0.017	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130	-177.5	0	0	0	0	0	113.2	V533 F564 D565 V566 N567	V533-A571 HydrophobicContact CG1-CB 3.86Å; V533-A571 WeakPolarHBondContact O-CA 3.31Å; F564-A571 HydrophobicContact CB-CB 3.75Å; F564-A571 HydrophobicContact CD1-CB 4.36Å; F564-A571 HydrophobicContact CG-CB 4.43Å; D565-A571 WeakPolarHBondContact O-CB 3.37Å; D565-A571 PolarHBondContact O-N 3.29Å; V566-A571 VanDerWaalsContact CA-O 3.28Å; V566-A571 WeakPolarHBondContact CA-O 3.29Å; N567-A571 PolarHBondContact N-O 3.04Å; N567-A571 VanDerWaalsContact N-O 3.1Å; N567-A571 CarbonylContact O-C 3.59Å
572	Q	93.1	Very high	87	Confident	18 Å²	18	45 Å²	45	8%	0.084	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.6	166.2	-73.1	-176.7	-31.7	0	0	109.8	V533 D534 L535 L588 G630	V533-Q572 PolarHBondContact O-N 3.05Å; D534-Q572 PolarHBondContact OD1-OE1 3.18Å; L535-Q572 PolarHBondContact N-O 3.02Å; Q572-L588 HydrophobicContact CB-CB 4.15Å; Q572-L588 HydrophobicContact CB-CD2 4.03Å; Q572-L588 WeakPolarHBondContact CB-O 3.49Å; Q572-G630 PolarHBondContact OE1-O 3.48Å
573	V	95.1	Very high	88	Confident	1 Å²	1	48 Å²	48	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	134.6	-176.5	-173.5	0	0	0	0	109.6	L535 F537 V566 F586 I597	L535-V573 CarbonylContact O-C 3.13Å; L535-V573 VanDerWaalsContact O-CA 3.23Å; L535-V573 WeakPolarHBondContact O-CA 3.36Å; F537-V573 HydrophobicContact CD2-CG1 3.87Å; F537-V573 HydrophobicContact CE2-CG1 3.94Å; V566-V573 HydrophobicContact CG2-CG2 3.92Å; V573-F586 HydrophobicContact CG1-CE2 4.46Å; V573-F586 WeakPolarHBondContact O-CE2 3.41Å; V573-I597 HydrophobicContact CB-CD1 3.63Å; V573-I597 HydrophobicContact CG1-CD1 4.41Å; V573-I597 HydrophobicContact CG1-CG2 4.49Å; V573-I597 HydrophobicContact CG2-CD1 3.75Å
574	A	97.9	Very high	89	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	155	169.3	0	0	0	0	0	111.1	L535 V536 F537 F586 L588 V624	L535-A574 PolarHBondContact O-N 3.45Å; V536-A574 WeakPolarHBondContact CA-O 3.46Å; V536-A574 HydrophobicContact CG1-CB 4.33Å; V536-A574 HydrophobicContact CG2-CB 4.25Å; F537-A574 PolarHBondContact N-O 3.5Å; A574-F586 WeakPolarHBondContact CA-O 3.12Å; A574-F586 WeakPolarHBondContact CB-O 3.32Å; A574-L588 HydrophobicContact CB-CD2 3.79Å; A574-L588 HydrophobicContact CB-CG 3.82Å; A574-V624 HydrophobicContact CB-CG1 3.73Å
575	L	98.3	Very high	89.9	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.3	179.5	-176.3	70.2	0	0	0	110.7	F537 L539 V557 V585 F586 V601 A604	F537-L575 HydrophobicContact CB-CD1 3.8Å; L539-L575 HydrophobicContact CD1-CD1 3.3Å; L539-L575 HydrophobicContact CD2-CD1 4.16Å; L539-L575 HydrophobicContact CG-CD1 4.3Å; V557-L575 HydrophobicContact CG1-CD1 4.31Å; L575-V585 HydrophobicContact CB-CB 4.17Å; L575-V585 HydrophobicContact CD2-CB 3.97Å; L575-V585 HydrophobicContact CD2-CG1 4.11Å; L575-V585 HydrophobicContact CD2-CG2 4.01Å; L575-V585 HydrophobicContact CG-CB 4.12Å; L575-V585 HydrophobicContact CG-CG2 4.07Å; L575-V585 PolarHBondContact O-N 2.7Å; L575-F586 HydrophobicContact CB-CD1 3.92Å; L575-F586 HydrophobicContact CB-CD2 4.41Å; L575-F586 HydrophobicContact CB-CE1 3.39Å; L575-F586 HydrophobicContact CB-CE2 3.95Å; L575-F586 HydrophobicContact CB-CG 4.4Å; L575-F586 HydrophobicContact CB-CZ 3.41Å; L575-F586 VanDerWaalsContact CB-CZ 3.41Å; L575-F586 HydrophobicContact CD2-CD1 4.46Å; L575-F586 HydrophobicContact CD2-CE1 3.72Å; L575-F586 HydrophobicContact CD2-CZ 4.31Å; L575-F586 HydrophobicContact CG-CE1 4.19Å; L575-F586 HydrophobicContact CG-CZ 4.46Å; L575-F586 PolarHBondContact N-O 3.35Å; L575-F586 VanDerWaalsContact N-O 3.09Å; L575-F586 PolarHBondContact O-N 3.26Å; L575-V601 HydrophobicContact CD2-CB 4.26Å; L575-V601 HydrophobicContact CD2-CG1 4.26Å; L575-V601 HydrophobicContact CD2-CG2 4.07Å; L575-A604 HydrophobicContact CD2-CB 3.9Å
576	V	98.3	Very high	90.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.5	173	178.9	0	0	0	0	108.4	V536 F537 A538 L539 A582 T583 I620 V624	V536-V576 HydrophobicContact CG1-CG2 4.3Å; F537-V576 PolarHBondContact O-N 2.89Å; A538-V576 CarbonylContact C-O 3.43Å; A538-V576 WeakPolarHBondContact CA-O 3.28Å; L539-V576 PolarHBondContact N-O 2.92Å; V576-A582 HydrophobicContact CG1-CB 3.93Å; V576-T583 WeakPolarHBondContact CA-O 3.34Å; V576-I620 HydrophobicContact CB-CD1 4.49Å; V576-I620 HydrophobicContact CB-CG1 4.35Å; V576-I620 HydrophobicContact CG1-CG1 4.46Å; V576-I620 HydrophobicContact CG2-CD1 4.47Å; V576-I620 HydrophobicContact CG2-CG1 3.89Å; V576-V624 HydrophobicContact CG2-CG2 3.77Å
577	A	97.4	Very high	91.6	Very high	3 Å²	3	46.9 Å²	46.9	3%	0.025	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.2	168.5	0	0	0	0	0	108.6	L539 A541 F550 T583 V585 M607	L539-A577 WeakPolarHBondContact O-CA 3.48Å; A541-A577 HydrophobicContact CB-CB 4.36Å; F550-A577 HydrophobicContact CZ-CB 4.4Å; A577-T583 PolarHBondContact N-O 2.91Å; A577-T583 PolarHBondContact O-N 3.09Å; A577-V585 HydrophobicContact CB-CG2 4.01Å; A577-M607 HydrophobicContact CB-SD 4.42Å
578	Y	96.2	Very high	92.5	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	152.6	-174.7	74.6	-87.4	0	0	0	114.7	A538 L539 D540 A541 R581 V611 T613 A616 T643	A538-Y578 HydrophobicContact CB-CD1 4.27Å; A538-Y578 HydrophobicContact CB-CE1 4.06Å; L539-Y578 VanDerWaalsContact C-CD1 3.44Å; L539-Y578 VanDerWaalsContact C-CE1 3.4Å; L539-Y578 WeakPolarHBondContact O-CD1 3.47Å; L539-Y578 PolarHBondContact O-N 2.87Å; D540-Y578 HydrophobicContact CB-CE1 4.14Å; D540-Y578 HydrophobicContact CB-CE2 4.36Å; D540-Y578 VanDerWaalsContact N-CE1 3.35Å; A541-Y578 WeakPolarHBondContact CA-O 3.49Å; A541-Y578 WeakPolarHBondContact CB-O 3.45Å; A541-Y578 PolarHBondContact N-O 3.49Å; Y578-R581 VanDerWaalsContact CA-O 3.32Å; Y578-R581 WeakPolarHBondContact CA-O 2.97Å; Y578-V611 HydrophobicContact CD2-CG2 4.2Å; Y578-V611 HydrophobicContact CE2-CG2 3.67Å; Y578-T613 PolarHBondContact OH-OG1 3.24Å; Y578-A616 HydrophobicContact CD1-CB 3.73Å; Y578-A616 HydrophobicContact CD2-CB 3.65Å; Y578-A616 HydrophobicContact CE1-CB 4.25Å; Y578-A616 HydrophobicContact CE2-CB 4.18Å; Y578-A616 HydrophobicContact CG-CB 3.4Å; Y578-T643 WeakPolarHBondContact OH-CB 3.38Å
579	N	94.1	Very high	93.2	Very high	24 Å²	24	41.6 Å²	41.6	13%	0.128	20%	0.204	C	C	.	.	S	Bend	trans	-135.3	-120	166.2	65	0.9	0	0	0	107.3	R581 M607 G608 G610 S612	N579-R581 PolarHBondContact N-O 3.47Å; N579-R581 PolarHBondContact O-N 3.34Å; N579-R581 PolarHBondContact OD1-N 2.96Å; N579-R581 PolarHBondContact OD1-O 2.92Å; N579-R581 VanDerWaalsContact OD1-O 3.1Å; N579-M607 HydrophobicContact CB-CB 4.29Å; N579-M607 WeakPolarHBondContact ND2-CB 3.36Å; N579-M607 WeakPolarHBondContact OD1-CE 3.49Å; N579-G608 VanDerWaalsContact CB-O 3.29Å; N579-G608 WeakPolarHBondContact CB-O 3.42Å; N579-G608 PolarHBondContact ND2-O 2.67Å; N579-G610 CarbonylContact C-O 3.3Å; N579-G610 WeakPolarHBondContact CA-O 3.46Å; N579-G610 WeakPolarHBondContact CB-O 3.23Å; N579-S612 PolarHBondContact O-N 3.22Å
580	R	91.1	Very high	94.2	Very high	188 Å²	188	39.1 Å²	39.1	71%	0.709	19%	0.193	S	C	*	.	S	Bend	trans	-66.4	-19.8	164.4	-63.3	-161.7	-171.5	171.8	3.2	113	G610	R580-G610 WeakPolarHBondContact CG-O 3.41Å; R580-G610 PolarHBondContact N-O 2.67Å
581	R	91.6	Very high	94.5	Very high	197 Å²	197	39.5 Å²	39.5	74%	0.743	19%	0.193	S	C	*	.	S	Bend	trans	-128.3	154.2	176.2	-61	-176.5	-175.3	-168.6	1.3	108.7	Y578 N579	Y578-R581 VanDerWaalsContact CA-O 3.32Å; Y578-R581 WeakPolarHBondContact CA-O 2.97Å; N579-R581 PolarHBondContact N-O 3.47Å; N579-R581 PolarHBondContact O-N 3.34Å; N579-R581 PolarHBondContact OD1-N 2.96Å; N579-R581 PolarHBondContact OD1-O 2.92Å; N579-R581 VanDerWaalsContact OD1-O 3.1Å
582	A	95.6	Very high	93.9	Very high	17 Å²	17	44.3 Å²	44.3	14%	0.14	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	139	176.7	0	0	0	0	0	111.3	V576 A616 H619	V576-A582 HydrophobicContact CG1-CB 3.93Å; A582-A616 HydrophobicContact CB-CB 4.16Å; A582-H619 HydrophobicContact CB-CB 3.65Å
583	T	95.5	Very high	92.9	Very high	70 Å²	70	45.7 Å²	45.7	43%	0.429	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.5	179.6	-51	0	0	0	0	108.7	V576 A577 V585	V576-T583 WeakPolarHBondContact CA-O 3.34Å; A577-T583 PolarHBondContact N-O 2.91Å; A577-T583 PolarHBondContact O-N 3.09Å; T583-V585 PolarHBondContact O-N 2.92Å
584	T	96.8	Very high	91.8	Very high	38 Å²	38	46.5 Å²	46.5	23%	0.233	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	113.4	170.2	-54.2	0	0	0	0	108.1	F586 H619 V624	T584-F586 WeakPolarHBondContact CG2-O 3.49Å; T584-H619 PolarHBondContact OG1-NE2 3.35Å; T584-V624 HydrophobicContact CG2-CG2 4.21Å; T584-V624 WeakPolarHBondContact OG1-CG2 3.47Å
585	V	96.6	Very high	90.4	Very high	54 Å²	54	49.1 Å²	49.1	33%	0.327	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-47	175.4	-174.5	0	0	0	0	109.1	L575 A577 T583 A604	L575-V585 HydrophobicContact CB-CB 4.17Å; L575-V585 HydrophobicContact CD2-CB 3.97Å; L575-V585 HydrophobicContact CD2-CG1 4.11Å; L575-V585 HydrophobicContact CD2-CG2 4.01Å; L575-V585 HydrophobicContact CG-CB 4.12Å; L575-V585 HydrophobicContact CG-CG2 4.07Å; L575-V585 PolarHBondContact O-N 2.7Å; A577-V585 HydrophobicContact CB-CG2 4.01Å; T583-V585 PolarHBondContact O-N 2.92Å; V585-A604 HydrophobicContact CG1-CB 4.04Å; V585-A604 HydrophobicContact CG2-CB 4.01Å
586	F	96.6	Very high	89.2	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.035	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	148.6	168.7	55.9	-95.7	0	0	0	110.7	V573 A574 L575 T584 V590 H591 I597 A600 V601	V573-F586 HydrophobicContact CG1-CE2 4.46Å; V573-F586 WeakPolarHBondContact O-CE2 3.41Å; A574-F586 WeakPolarHBondContact CA-O 3.12Å; A574-F586 WeakPolarHBondContact CB-O 3.32Å; L575-F586 HydrophobicContact CB-CD1 3.92Å; L575-F586 HydrophobicContact CB-CD2 4.41Å; L575-F586 HydrophobicContact CB-CE1 3.39Å; L575-F586 HydrophobicContact CB-CE2 3.95Å; L575-F586 HydrophobicContact CB-CG 4.4Å; L575-F586 HydrophobicContact CB-CZ 3.41Å; L575-F586 VanDerWaalsContact CB-CZ 3.41Å; L575-F586 HydrophobicContact CD2-CD1 4.46Å; L575-F586 HydrophobicContact CD2-CE1 3.72Å; L575-F586 HydrophobicContact CD2-CZ 4.31Å; L575-F586 HydrophobicContact CG-CE1 4.19Å; L575-F586 HydrophobicContact CG-CZ 4.46Å; L575-F586 PolarHBondContact N-O 3.35Å; L575-F586 VanDerWaalsContact N-O 3.09Å; L575-F586 PolarHBondContact O-N 3.26Å; T584-F586 WeakPolarHBondContact CG2-O 3.49Å; F586-V590 HydrophobicContact CB-CB 4.14Å; F586-V590 HydrophobicContact CB-CG1 4.16Å; F586-V590 HydrophobicContact CB-CG2 4.34Å; F586-H591 AromaticContact CD1-NE2 3.99Å; F586-H591 AromaticContact CD2-CD2 3.63Å; F586-H591 AromaticContact CG-CD2 3.61Å; F586-H591 AromaticContact CG-NE2 3.76Å; F586-I597 HydrophobicContact CE2-CG1 4.33Å; F586-I597 HydrophobicContact CZ-CG2 4.08Å; F586-A600 HydrophobicContact CD1-CB 3.62Å; F586-A600 HydrophobicContact CE1-CB 3.68Å; F586-A600 HydrophobicContact CG-CB 4.48Å; F586-V601 HydrophobicContact CE1-CG2 3.94Å; F586-V601 HydrophobicContact CZ-CG2 3.83Å
587	G	95.4	Very high	88.5	Confident	5 Å²	5	50.5 Å²	50.5	5%	0.052	27%	0.265	C	S	.	.			trans	-87	175	177.9	0	0	0	0	0	113.3	D589 V590	G587-D589 PolarHBondContact O-N 2.97Å; G587-V590 PolarHBondContact O-N 3.08Å
588	L	95.3	Very high	87.5	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.9	-174.5	-70.3	165.5	0	0	0	112.9	D534 V536 Q572 A574 N629 A631	D534-L588 HydrophobicContact CB-CD1 4.03Å; D534-L588 HydrophobicContact CB-CD2 4.12Å; V536-L588 HydrophobicContact CG2-CD2 4.29Å; Q572-L588 HydrophobicContact CB-CB 4.15Å; Q572-L588 HydrophobicContact CB-CD2 4.03Å; Q572-L588 WeakPolarHBondContact CB-O 3.49Å; A574-L588 HydrophobicContact CB-CD2 3.79Å; A574-L588 HydrophobicContact CB-CG 3.82Å; L588-N629 WeakPolarHBondContact CB-O 3.27Å; L588-N629 PolarHBondContact N-O 3Å; L588-A631 HydrophobicContact CD1-CB 3.78Å
589	D	91.7	Very high	86.7	Confident	81 Å²	81	58.7 Å²	58.7	43%	0.433	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-0.3	-177.7	59.5	-21.9	0	0	0	114.4	G587	G587-D589 PolarHBondContact O-N 2.97Å
590	V	92.7	Very high	86.4	Confident	80 Å²	80	58 Å²	58	49%	0.485	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-39	-172.1	-180	0	0	0	0	112.5	F586 G587	F586-V590 HydrophobicContact CB-CB 4.14Å; F586-V590 HydrophobicContact CB-CG1 4.16Å; F586-V590 HydrophobicContact CB-CG2 4.34Å; G587-V590 PolarHBondContact O-N 3.08Å
591	H	86.4	Confident	86.5	Confident	42 Å²	42	49 Å²	49	19%	0.194	27%	0.265	C	S	.	.			trans	-122.4	127.7	-173.6	-62	-50.4	0	0	0	111.6	F586 A596 I597 A600	F586-H591 AromaticContact CD1-NE2 3.99Å; F586-H591 AromaticContact CD2-CD2 3.63Å; F586-H591 AromaticContact CG-CD2 3.61Å; F586-H591 AromaticContact CG-NE2 3.76Å; H591-A596 HydrophobicContact CB-CB 4.13Å; H591-I597 HydrophobicContact CB-CD1 4.48Å; H591-I597 HydrophobicContact CB-CG1 3.69Å; H591-A600 WeakPolarHBondContact NE2-CB 3.37Å
592	E	75.9	Confident	86.2	Confident	104 Å²	104	41.4 Å²	41.4	49%	0.486	25%	0.248	S	C	.	.			trans	-106.6	8.4	-177.9	-61.6	175.5	-170.7	0	0	112.9	R568	R568-E592 HydrophobicContact CG-CG 4.11Å; R568-E592 IonicContact CZ-OE1 3.63Å; R568-E592 VanDerWaalsContact NE-CD 3.27Å; R568-E592 IonicContact NE-OE1 3.09Å; R568-E592 PolarHBondContact NE-OE1 2.93Å; R568-E592 IonicContact NE-OE2 2.79Å; R568-E592 IonicContact NH2-OE1 2.75Å; R568-E592 PolarHBondContact NH2-OE1 3.46Å
593	S	73.2	Confident	85.9	Confident	47 Å²	47	46.5 Å²	46.5	33%	0.329	27%	0.269	S	S	.	.	S	Bend	trans	-145	145.2	178.7	71.9	0	0	0	0	111.8	S595 A596 I597	S593-S595 VanDerWaalsContact C-N 3.27Å; S593-S595 PolarHBondContact O-N 3.41Å; S593-S595 PolarHBondContact OG-OG 2.78Å; S593-A596 PolarHBondContact O-N 2.92Å; S593-A596 VanDerWaalsContact O-N 3.11Å; S593-A596 WeakPolarHBondContact OG-CB 3.49Å; S593-A596 PolarHBondContact OG-N 3.32Å; S593-I597 PolarHBondContact O-N 2.6Å
594	G	71	Confident	85.8	Confident	18 Å²	18	43.6 Å²	43.6	19%	0.186	25%	0.252	C	S	.	.	H	α-helix	trans	-55.9	-40.4	176.7	0	0	0	0	0	112.6	A596 I597 L598	G594-A596 VanDerWaalsContact C-N 3.31Å; G594-A596 PolarHBondContact O-N 3.08Å; G594-I597 PolarHBondContact O-N 3.33Å; G594-L598 VanDerWaalsContact O-CG 3.29Å; G594-L598 WeakPolarHBondContact O-CG 3.21Å; G594-L598 PolarHBondContact O-N 2.86Å
595	S	68.4	Low	85.6	Confident	54 Å²	54	46.1 Å²	46.1	38%	0.378	27%	0.272	S	S	.	.	H	α-helix	trans	-62.1	-35.9	177.9	57.3	0	0	0	0	113.4	S593 K599	S593-S595 VanDerWaalsContact C-N 3.27Å; S593-S595 PolarHBondContact O-N 3.41Å; S593-S595 PolarHBondContact OG-OG 2.78Å; S595-K599 PolarHBondContact O-N 3.41Å
596	A	74	Confident	85.6	Confident	31 Å²	31	46 Å²	46	26%	0.256	27%	0.266	S	S	.	.	H	α-helix	trans	-70.5	-41.2	177.5	0	0	0	0	0	111.2	H591 S593 G594 K599 A600	H591-A596 HydrophobicContact CB-CB 4.13Å; S593-A596 PolarHBondContact O-N 2.92Å; S593-A596 VanDerWaalsContact O-N 3.11Å; S593-A596 WeakPolarHBondContact OG-CB 3.49Å; S593-A596 PolarHBondContact OG-N 3.32Å; G594-A596 VanDerWaalsContact C-N 3.31Å; G594-A596 PolarHBondContact O-N 3.08Å; A596-K599 PolarHBondContact O-N 3.35Å; A596-A600 WeakPolarHBondContact O-CB 3.49Å; A596-A600 PolarHBondContact O-N 2.64Å
597	I	82.9	Confident	85.5	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.1	-48.4	172.4	-72.1	166.3	0	0	0	110.7	V566 V573 F586 H591 S593 G594 K599 A600 V601	V566-I597 HydrophobicContact CB-CD1 3.96Å; V566-I597 HydrophobicContact CG1-CD1 3.26Å; V566-I597 HydrophobicContact CG1-CG1 4.48Å; V566-I597 HydrophobicContact CG2-CD1 3.66Å; V573-I597 HydrophobicContact CB-CD1 3.63Å; V573-I597 HydrophobicContact CG1-CD1 4.41Å; V573-I597 HydrophobicContact CG1-CG2 4.49Å; V573-I597 HydrophobicContact CG2-CD1 3.75Å; F586-I597 HydrophobicContact CE2-CG1 4.33Å; F586-I597 HydrophobicContact CZ-CG2 4.08Å; H591-I597 HydrophobicContact CB-CD1 4.48Å; H591-I597 HydrophobicContact CB-CG1 3.69Å; S593-I597 PolarHBondContact O-N 2.6Å; G594-I597 PolarHBondContact O-N 3.33Å; I597-K599 PolarHBondContact O-N 3.33Å; I597-A600 PolarHBondContact O-N 2.81Å; I597-A600 VanDerWaalsContact O-N 3.09Å; I597-V601 HydrophobicContact CG2-CG2 3.8Å; I597-V601 WeakPolarHBondContact O-CB 3.39Å; I597-V601 WeakPolarHBondContact O-CG2 3.21Å; I597-V601 PolarHBondContact O-N 3.22Å
598	L	77.5	Confident	85.3	Confident	34 Å²	34	49 Å²	49	18%	0.178	28%	0.282	C	S	.	.	H	α-helix	trans	-54.4	-44.2	-179.2	-74.7	179.1	0	0	0	111.7	P497 R558 V562 G594 G602	P497-L598 HydrophobicContact CG-CD1 4.27Å; R558-L598 HydrophobicContact CB-CD2 3.46Å; R558-L598 VanDerWaalsContact CB-CD2 3.46Å; R558-L598 WeakPolarHBondContact CD-O 3.37Å; R558-L598 HydrophobicContact CG-CD2 3.59Å; R558-L598 WeakPolarHBondContact O-CD2 3.38Å; V562-L598 HydrophobicContact CG2-CD1 3.9Å; V562-L598 HydrophobicContact CG2-CD2 3.68Å; V562-L598 HydrophobicContact CG2-CG 4.13Å; G594-L598 VanDerWaalsContact O-CG 3.29Å; G594-L598 WeakPolarHBondContact O-CG 3.21Å; G594-L598 PolarHBondContact O-N 2.86Å; L598-G602 PolarHBondContact O-N 3.3Å
599	K	78.8	Confident	85.1	Confident	140 Å²	140	51 Å²	51	61%	0.609	30%	0.302	S	S	*	.	H	α-helix	trans	-64.7	-50.6	175.3	-175.9	178.1	172.7	-176.9	0	111.6	S595 A596 I597 V601 G602 E603	S595-K599 PolarHBondContact O-N 3.41Å; A596-K599 PolarHBondContact O-N 3.35Å; I597-K599 PolarHBondContact O-N 3.33Å; K599-V601 VanDerWaalsContact C-N 3.34Å; K599-V601 PolarHBondContact O-N 2.87Å; K599-G602 PolarHBondContact O-N 3.33Å; K599-G602 VanDerWaalsContact O-N 3.09Å; K599-E603 WeakPolarHBondContact CE-OE1 3.02Å; K599-E603 PolarHBondContact O-N 2.74Å
600	A	88.1	Confident	84.9	Confident	9 Å²	9	48.3 Å²	48.3	7%	0.074	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-35.4	-176.7	0	0	0	0	0	113.4	F586 H591 A596 I597 G602 E603 A604	F586-A600 HydrophobicContact CD1-CB 3.62Å; F586-A600 HydrophobicContact CE1-CB 3.68Å; F586-A600 HydrophobicContact CG-CB 4.48Å; H591-A600 WeakPolarHBondContact NE2-CB 3.37Å; A596-A600 WeakPolarHBondContact O-CB 3.49Å; A596-A600 PolarHBondContact O-N 2.64Å; I597-A600 PolarHBondContact O-N 2.81Å; I597-A600 VanDerWaalsContact O-N 3.09Å; A600-G602 VanDerWaalsContact C-N 3.32Å; A600-G602 PolarHBondContact O-N 2.78Å; A600-E603 PolarHBondContact O-N 2.8Å; A600-A604 PolarHBondContact O-N 2.93Å
601	V	92.8	Very high	84.8	Confident	0 Å²	0	46 Å²	46	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-40.5	173.6	175.9	0	0	0	0	110.5	Q554 V557 R558 L575 F586 I597 K599 E603 A604	Q554-V601 HydrophobicContact CB-CG1 4.09Å; Q554-V601 HydrophobicContact CG-CG1 4.49Å; Q554-V601 PolarHBondContact NE2-O 3.42Å; Q554-V601 WeakPolarHBondContact O-CG1 3.35Å; V557-V601 HydrophobicContact CB-CG1 4.21Å; V557-V601 HydrophobicContact CG1-CG1 4.1Å; V557-V601 HydrophobicContact CG1-CG2 4.04Å; R558-V601 HydrophobicContact CG-CB 3.86Å; R558-V601 HydrophobicContact CG-CG1 3.74Å; L575-V601 HydrophobicContact CD2-CB 4.26Å; L575-V601 HydrophobicContact CD2-CG1 4.26Å; L575-V601 HydrophobicContact CD2-CG2 4.07Å; F586-V601 HydrophobicContact CE1-CG2 3.94Å; F586-V601 HydrophobicContact CZ-CG2 3.83Å; I597-V601 HydrophobicContact CG2-CG2 3.8Å; I597-V601 WeakPolarHBondContact O-CB 3.39Å; I597-V601 WeakPolarHBondContact O-CG2 3.21Å; I597-V601 PolarHBondContact O-N 3.22Å; K599-V601 VanDerWaalsContact C-N 3.34Å; K599-V601 PolarHBondContact O-N 2.87Å; V601-E603 VanDerWaalsContact C-N 3.27Å; V601-E603 PolarHBondContact O-N 3.13Å; V601-A604 WeakPolarHBondContact O-CB 3.42Å; V601-A604 PolarHBondContact O-N 3.43Å
602	G	84.8	Confident	85.2	Confident	38 Å²	38	44.8 Å²	44.8	39%	0.392	28%	0.276	S	S	.	.	H	α-helix	trans	-66.2	-25.5	175.9	0	0	0	0	0	114.2	Q554 L598 K599 A600	Q554-G602 PolarHBondContact NE2-O 3.41Å; L598-G602 PolarHBondContact O-N 3.3Å; K599-G602 PolarHBondContact O-N 3.33Å; K599-G602 VanDerWaalsContact O-N 3.09Å; A600-G602 VanDerWaalsContact C-N 3.32Å; A600-G602 PolarHBondContact O-N 2.78Å
603	E	89.9	Confident	86	Confident	123 Å²	123	39.9 Å²	39.9	58%	0.575	25%	0.253	S	S	*	.	H	α-helix	trans	-84	-8.8	177.9	-68.9	173.6	-179.9	0	0	113.3	K599 A600 V601 S605	K599-E603 WeakPolarHBondContact CE-OE1 3.02Å; K599-E603 PolarHBondContact O-N 2.74Å; A600-E603 PolarHBondContact O-N 2.8Å; V601-E603 VanDerWaalsContact C-N 3.27Å; V601-E603 PolarHBondContact O-N 3.13Å; E603-S605 PolarHBondContact O-N 2.63Å
604	A	93.7	Very high	87	Confident	9 Å²	9	37.7 Å²	37.7	7%	0.074	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-59.2	129.8	176.8	0	0	0	0	0	111	F550 Q554 L575 V585 A600 V601	F550-A604 HydrophobicContact CZ-CB 4.4Å; Q554-A604 PolarHBondContact NE2-O 3.37Å; L575-A604 HydrophobicContact CD2-CB 3.9Å; V585-A604 HydrophobicContact CG1-CB 4.04Å; V585-A604 HydrophobicContact CG2-CB 4.01Å; A600-A604 PolarHBondContact O-N 2.93Å; V601-A604 WeakPolarHBondContact O-CB 3.42Å; V601-A604 PolarHBondContact O-N 3.43Å
605	S	92.7	Very high	88.1	Confident	92 Å²	92	38.3 Å²	38.3	64%	0.643	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-93.6	133.9	-175.1	-67.6	0	0	0	0	112.1	E603	E603-S605 PolarHBondContact O-N 2.63Å
606	Y	95.9	Very high	89.4	Confident	51 Å²	51	35.8 Å²	35.8	20%	0.2	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-65.2	132	169.3	174.3	-102.1	0	0	0	111.3	A541 S542 V543 G546 R547 F550	A541-Y606 WeakPolarHBondContact O-CE2 3.31Å; S542-Y606 VanDerWaalsContact O-CE2 3.24Å; S542-Y606 WeakPolarHBondContact O-CE2 3.12Å; S542-Y606 PolarHBondContact O-OH 3.34Å; S542-Y606 VanDerWaalsContact O-OH 3.05Å; V543-Y606 WeakPolarHBondContact CA-OH 3.48Å; G546-Y606 WeakPolarHBondContact CA-OH 3.38Å; R547-Y606 HydrophobicContact CB-CD1 4.22Å; R547-Y606 HydrophobicContact CB-CE1 4.38Å; R547-Y606 HydrophobicContact CB-CG 4.38Å; F550-Y606 HydrophobicContact CB-CD2 3.77Å; F550-Y606 HydrophobicContact CB-CE2 4.46Å; F550-Y606 HydrophobicContact CD1-CD2 4.35Å; F550-Y606 HydrophobicContact CD2-CD2 4.3Å; F550-Y606 AromaticContact CG-CD2 3.88Å; F550-Y606 HydrophobicContact CG-CD2 3.88Å
607	M	94.2	Very high	90.5	Very high	67 Å²	67	34.3 Å²	34.3	33%	0.33	21%	0.211	S	C	.	.			trans	-101.1	-32.1	-171.5	-60.1	174.7	70	0	0	113.7	A541 A577 N579	A541-M607 HydrophobicContact CB-CB 4.07Å; A541-M607 HydrophobicContact CB-CG 4.02Å; A541-M607 HydrophobicContact CB-SD 4.3Å; A541-M607 PolarHBondContact O-N 2.91Å; A577-M607 HydrophobicContact CB-SD 4.42Å; N579-M607 HydrophobicContact CB-CB 4.29Å; N579-M607 WeakPolarHBondContact ND2-CB 3.36Å; N579-M607 WeakPolarHBondContact OD1-CE 3.49Å
608	G	90.9	Very high	91.1	Very high	10 Å²	10	38.4 Å²	38.4	10%	0.103	23%	0.233	C	C	.	.			trans	64.1	-170.1	-172	0	0	0	0	0	113.9	A541 N579	A541-G608 WeakPolarHBondContact O-CA 3.23Å; A541-G608 PolarHBondContact O-N 3.38Å; N579-G608 VanDerWaalsContact CB-O 3.29Å; N579-G608 WeakPolarHBondContact CB-O 3.42Å; N579-G608 PolarHBondContact ND2-O 2.67Å
609	G	90.6	Very high	92	Very high	41 Å²	41	38.6 Å²	38.6	42%	0.423	23%	0.233	S	C	.	.	S	Bend	trans	78.9	-173.2	178.9	0	0	0	0	0	114.3	S542 V543	S542-G609 WeakPolarHBondContact CB-O 3.15Å; V543-G609 WeakPolarHBondContact CG1-O 3.37Å; V543-G609 PolarHBondContact N-O 3.17Å
610	G	88.8	Confident	92.9	Very high	25 Å²	25	31.9 Å²	31.9	26%	0.258	20%	0.204	S	C	.	.			trans	-69.3	167.6	179	0	0	0	0	0	112.7	N579 R580	N579-G610 CarbonylContact C-O 3.3Å; N579-G610 WeakPolarHBondContact CA-O 3.46Å; N579-G610 WeakPolarHBondContact CB-O 3.23Å; R580-G610 WeakPolarHBondContact CG-O 3.41Å; R580-G610 PolarHBondContact N-O 2.67Å
611	V	91	Very high	93.2	Very high	31 Å²	31	35 Å²	35	19%	0.188	21%	0.214	C	C	.	.			trans	-120.7	142.2	-173.4	52.5	0	0	0	0	112.1	Y578 S646	Y578-V611 HydrophobicContact CD2-CG2 4.2Å; Y578-V611 HydrophobicContact CE2-CG2 3.67Å; V611-S646 VanDerWaalsContact CG1-O 3.32Å; V611-S646 WeakPolarHBondContact CG1-O 3.45Å; V611-S646 WeakPolarHBondContact CG2-O 3.29Å
612	S	93.9	Very high	93.1	Very high	16 Å²	16	38.9 Å²	38.9	11%	0.112	24%	0.241	C	C	.	.			trans	-140	99.6	170.8	165.9	0	0	0	0	108.4	N579 G614 A615 A616 D650	N579-S612 PolarHBondContact O-N 3.22Å; S612-G614 VanDerWaalsContact C-N 3.25Å; S612-G614 PolarHBondContact O-N 2.61Å; S612-A615 PolarHBondContact O-N 3.25Å; S612-A615 WeakPolarHBondContact OG-CB 3.47Å; S612-A615 PolarHBondContact OG-N 3.17Å; S612-A616 PolarHBondContact O-N 3.2Å; S612-D650 WeakPolarHBondContact CB-OD2 3.45Å; S612-D650 PolarHBondContact OG-OD2 3.03Å
613	T	93.3	Very high	93.5	Very high	2 Å²	2	42 Å²	42	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-68.3	-31.5	176.3	-62.5	0	0	0	0	110.1	Y578 A616 L617 V641 G647 A651 I681	Y578-T613 PolarHBondContact OH-OG1 3.24Å; T613-A616 WeakPolarHBondContact O-CB 3.28Å; T613-A616 PolarHBondContact O-N 3.29Å; T613-L617 HydrophobicContact CG2-CD1 4.28Å; T613-L617 HydrophobicContact CG2-CG 4.43Å; T613-L617 WeakPolarHBondContact O-CG 3.25Å; T613-L617 PolarHBondContact O-N 2.8Å; T613-V641 HydrophobicContact CG2-CG1 4.04Å; T613-G647 WeakPolarHBondContact CB-O 3.43Å; T613-G647 PolarHBondContact N-O 3.15Å; T613-A651 HydrophobicContact CG2-CB 3.77Å; T613-I681 HydrophobicContact CG2-CD1 4.47Å
614	G	93.7	Very high	93.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.2	-47.4	173.6	0	0	0	0	0	113.4	S612 A616 L617 L618 D650	S612-G614 VanDerWaalsContact C-N 3.25Å; S612-G614 PolarHBondContact O-N 2.61Å; G614-A616 VanDerWaalsContact C-N 3.25Å; G614-A616 PolarHBondContact O-N 2.93Å; G614-L617 PolarHBondContact O-N 2.81Å; G614-L618 WeakPolarHBondContact O-CB 3.49Å; G614-L618 WeakPolarHBondContact O-CD1 3.33Å; G614-L618 PolarHBondContact O-N 2.86Å; G614-D650 WeakPolarHBondContact CA-O 3.41Å; G614-D650 WeakPolarHBondContact CA-OD1 3.34Å; G614-D650 PolarHBondContact N-OD1 2.95Å
615	A	94.2	Very high	93.7	Very high	31 Å²	31	36.3 Å²	36.3	26%	0.256	22%	0.216	S	C	.	.	H	α-helix	trans	-60.6	-36.5	176.6	0	0	0	0	0	112.1	S612 H619	S612-A615 PolarHBondContact O-N 3.25Å; S612-A615 WeakPolarHBondContact OG-CB 3.47Å; S612-A615 PolarHBondContact OG-N 3.17Å; A615-H619 WeakPolarHBondContact O-CB 3.09Å; A615-H619 PolarHBondContact O-N 3.25Å
616	A	96.1	Very high	93.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-64.3	-48.5	175.3	0	0	0	0	0	112.7	Y578 A582 S612 T613 G614 L618 H619 I620	Y578-A616 HydrophobicContact CD1-CB 3.73Å; Y578-A616 HydrophobicContact CD2-CB 3.65Å; Y578-A616 HydrophobicContact CE1-CB 4.25Å; Y578-A616 HydrophobicContact CE2-CB 4.18Å; Y578-A616 HydrophobicContact CG-CB 3.4Å; A582-A616 HydrophobicContact CB-CB 4.16Å; S612-A616 PolarHBondContact O-N 3.2Å; T613-A616 WeakPolarHBondContact O-CB 3.28Å; T613-A616 PolarHBondContact O-N 3.29Å; G614-A616 VanDerWaalsContact C-N 3.25Å; G614-A616 PolarHBondContact O-N 2.93Å; A616-L618 PolarHBondContact O-N 3.09Å; A616-H619 WeakPolarHBondContact O-CB 2.94Å; A616-H619 PolarHBondContact O-N 2.97Å; A616-I620 VanDerWaalsContact O-CG1 3.3Å; A616-I620 WeakPolarHBondContact O-CG1 3.44Å; A616-I620 PolarHBondContact O-N 3.13Å
617	L	96.8	Very high	93.1	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-41.4	177.3	-67.9	177.9	0	0	0	112	T613 G614 H619 I620 Y621 V639 V641 A651 P654 A655 I658 I681	T613-L617 HydrophobicContact CG2-CD1 4.28Å; T613-L617 HydrophobicContact CG2-CG 4.43Å; T613-L617 WeakPolarHBondContact O-CG 3.25Å; T613-L617 PolarHBondContact O-N 2.8Å; G614-L617 PolarHBondContact O-N 2.81Å; L617-H619 VanDerWaalsContact C-N 3.32Å; L617-H619 PolarHBondContact O-N 3.4Å; L617-I620 PolarHBondContact O-N 2.84Å; L617-Y621 WeakPolarHBondContact O-CB 3.42Å; L617-Y621 PolarHBondContact O-N 3.43Å; L617-V639 HydrophobicContact CD2-CG1 4.24Å; L617-V641 HydrophobicContact CD2-CG2 3.81Å; L617-A651 HydrophobicContact CD1-CB 4.14Å; L617-P654 HydrophobicContact CB-CB 3.66Å; L617-P654 HydrophobicContact CD1-CB 4.42Å; L617-A655 HydrophobicContact CD1-CB 3.7Å; L617-I658 HydrophobicContact CB-CD1 3.76Å; L617-I658 HydrophobicContact CD2-CD1 3.78Å; L617-I658 HydrophobicContact CG-CD1 4.3Å; L617-I658 WeakPolarHBondContact O-CD1 3.43Å; L617-I681 HydrophobicContact CD1-CG2 4.07Å
618	L	95.3	Very high	92.6	Very high	86 Å²	86	33.5 Å²	33.5	45%	0.45	21%	0.21	S	C	.	.	H	α-helix	trans	-59	-42.5	173.2	-87.2	146.3	0	0	0	112.3	G614 A616 S622 P654	G614-L618 WeakPolarHBondContact O-CB 3.49Å; G614-L618 WeakPolarHBondContact O-CD1 3.33Å; G614-L618 PolarHBondContact O-N 2.86Å; A616-L618 PolarHBondContact O-N 3.09Å; L618-S622 WeakPolarHBondContact O-CB 3.47Å; L618-S622 PolarHBondContact O-N 3.01Å; L618-S622 PolarHBondContact O-OG 3.5Å; L618-P654 HydrophobicContact CD1-CB 4.26Å; L618-P654 HydrophobicContact CD1-CG 3.54Å; L618-P654 HydrophobicContact CG-CB 3.98Å; L618-P654 HydrophobicContact CG-CG 3.79Å
619	H	96.8	Very high	92.4	Very high	37 Å²	37	35.5 Å²	35.5	17%	0.171	22%	0.218	C	C	.	.	H	α-helix	trans	-66.3	-42.4	177.1	-178.6	90.4	0	0	0	112	A582 T584 A615 A616 L617 K623	A582-H619 HydrophobicContact CB-CB 3.65Å; T584-H619 PolarHBondContact OG1-NE2 3.35Å; A615-H619 WeakPolarHBondContact O-CB 3.09Å; A615-H619 PolarHBondContact O-N 3.25Å; A616-H619 WeakPolarHBondContact O-CB 2.94Å; A616-H619 PolarHBondContact O-N 2.97Å; L617-H619 VanDerWaalsContact C-N 3.32Å; L617-H619 PolarHBondContact O-N 3.4Å; H619-K623 VanDerWaalsContact O-CB 3.3Å; H619-K623 WeakPolarHBondContact O-CB 3.45Å; H619-K623 PolarHBondContact O-N 3.09Å
620	I	97.3	Very high	92.3	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-60.3	-49.1	175.3	-70.3	166.7	0	0	0	110.4	V536 A538 V576 A616 L617 V624 L625 V639	V536-I620 HydrophobicContact CG1-CD1 4.26Å; V536-I620 HydrophobicContact CG1-CG1 4.2Å; V536-I620 HydrophobicContact CG1-CG2 4.08Å; A538-I620 HydrophobicContact CB-CD1 3.66Å; V576-I620 HydrophobicContact CB-CD1 4.49Å; V576-I620 HydrophobicContact CB-CG1 4.35Å; V576-I620 HydrophobicContact CG1-CG1 4.46Å; V576-I620 HydrophobicContact CG2-CD1 4.47Å; V576-I620 HydrophobicContact CG2-CG1 3.89Å; A616-I620 VanDerWaalsContact O-CG1 3.3Å; A616-I620 WeakPolarHBondContact O-CG1 3.44Å; A616-I620 PolarHBondContact O-N 3.13Å; L617-I620 PolarHBondContact O-N 2.84Å; I620-V624 PolarHBondContact O-N 2.89Å; I620-V624 VanDerWaalsContact O-N 3.09Å; I620-L625 HydrophobicContact CG2-CD1 3.77Å; I620-L625 HydrophobicContact CG2-CG 3.83Å; I620-L625 PolarHBondContact O-N 3.3Å; I620-V639 HydrophobicContact CD1-CG1 4Å; I620-V639 HydrophobicContact CG2-CG1 4.4Å; I620-V639 HydrophobicContact CG2-CG2 3.83Å
621	Y	94.6	Very high	92.4	Very high	75 Å²	75	33 Å²	33	29%	0.294	19%	0.193	S	C	.	.	I	π-helix	trans	-61.1	-48.1	179.4	179.7	-94.6	0	0	0	112.7	L617 K657 I658	L617-Y621 WeakPolarHBondContact O-CB 3.42Å; L617-Y621 PolarHBondContact O-N 3.43Å; Y621-K657 HydrophobicContact CD1-CD 4.36Å; Y621-K657 HydrophobicContact CE1-CD 4.14Å; Y621-K657 VanDerWaalsContact CE1-CE 3.49Å; Y621-K657 HydrophobicContact CE1-CG 4.42Å; Y621-K657 HydrophobicContact CE2-CG 4.23Å; Y621-I658 HydrophobicContact CD2-CG1 3.92Å; Y621-I658 HydrophobicContact CG-CG1 4.3Å
622	S	91.4	Very high	92.4	Very high	80 Å²	80	33.3 Å²	33.3	56%	0.559	19%	0.191	S	C	*	.	I	π-helix	trans	-84.5	-24	-171.2	59.5	0	0	0	0	114.7	L618 T626	L618-S622 WeakPolarHBondContact O-CB 3.47Å; L618-S622 PolarHBondContact O-N 3.01Å; L618-S622 PolarHBondContact O-OG 3.5Å; S622-T626 WeakPolarHBondContact O-CG2 3.46Å
623	K	91.8	Very high	91.9	Very high	104 Å²	104	35 Å²	35	45%	0.452	20%	0.201	S	C	.	.	I	π-helix	trans	-120.1	-50.3	-174	-164.4	176.5	-178.1	178.9	0	112.8	H619 T626 N629	H619-K623 VanDerWaalsContact O-CB 3.3Å; H619-K623 WeakPolarHBondContact O-CB 3.45Å; H619-K623 PolarHBondContact O-N 3.09Å; K623-T626 PolarHBondContact O-OG1 2.76Å; K623-N629 WeakPolarHBondContact O-CB 3.35Å; K623-N629 VanDerWaalsContact O-CG 3.31Å; K623-N629 PolarHBondContact O-ND2 2.79Å
624	V	95.4	Very high	91.3	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	21%	0.21	C	C	.	.	I	π-helix	trans	-79.3	-45.3	-170.8	-175.2	0	0	0	0	112.3	V536 A574 V576 T584 I620 T626	V536-V624 HydrophobicContact CG1-CG1 3.99Å; V536-V624 HydrophobicContact CG2-CG1 3.96Å; A574-V624 HydrophobicContact CB-CG1 3.73Å; V576-V624 HydrophobicContact CG2-CG2 3.77Å; T584-V624 HydrophobicContact CG2-CG2 4.21Å; T584-V624 WeakPolarHBondContact OG1-CG2 3.47Å; I620-V624 PolarHBondContact O-N 2.89Å; I620-V624 VanDerWaalsContact O-N 3.09Å; V624-T626 PolarHBondContact O-N 3.41Å
625	L	93.6	Very high	91	Very high	11 Å²	11	36.9 Å²	36.9	6%	0.058	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	32.1	-178.9	-64	176.3	0	0	0	113.3	V536 I620 A631 K637 V639 V663	V536-L625 HydrophobicContact CG2-CD2 3.62Å; V536-L625 HydrophobicContact CG2-CG 4.49Å; I620-L625 HydrophobicContact CG2-CD1 3.77Å; I620-L625 HydrophobicContact CG2-CG 3.83Å; I620-L625 PolarHBondContact O-N 3.3Å; L625-A631 VanDerWaalsContact C-CB 3.46Å; L625-K637 HydrophobicContact CD2-CB 4.43Å; L625-K637 HydrophobicContact CD2-CD 4.23Å; L625-K637 HydrophobicContact CD2-CG 4.27Å; L625-V639 HydrophobicContact CD1-CG2 4.03Å; L625-V663 HydrophobicContact CD1-CG1 4Å; L625-V663 HydrophobicContact CD1-CG2 4.05Å
626	T	88.6	Confident	90.8	Very high	36 Å²	36	36.8 Å²	36.8	22%	0.221	21%	0.212	C	C	.	.	S	Bend	trans	-108	148.1	-179.7	65.2	0	0	0	0	110.7	S622 K623 V624 A628 N629 G630 A631	S622-T626 WeakPolarHBondContact O-CG2 3.46Å; K623-T626 PolarHBondContact O-OG1 2.76Å; V624-T626 PolarHBondContact O-N 3.41Å; T626-A628 PolarHBondContact O-N 3.19Å; T626-N629 CarbonylContact O-C 3.59Å; T626-N629 PolarHBondContact O-N 3.39Å; T626-N629 PolarHBondContact OG1-ND2 2.86Å; T626-G630 PolarHBondContact O-N 3.18Å; T626-A631 WeakPolarHBondContact O-CB 3.37Å; T626-A631 PolarHBondContact O-N 3.24Å
627	V	85.9	Confident	90.7	Very high	51 Å²	51	37.1 Å²	37.1	31%	0.309	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-57.6	-32.6	176.3	-178.8	0	0	0	0	111.4	N629 G630 A631 P633 P723 M725	V627-N629 PolarHBondContact O-N 3.31Å; V627-G630 PolarHBondContact O-N 2.9Å; V627-A631 WeakPolarHBondContact CA-O 3.4Å; V627-P633 HydrophobicContact CG2-CG 4.09Å; V627-P723 HydrophobicContact CG2-CB 4.49Å; V627-M725 HydrophobicContact CB-CE 4.12Å
628	A	84.4	Confident	90.6	Very high	63 Å²	63	37.2 Å²	37.2	52%	0.521	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-65.6	-19	176.5	0	0	0	0	0	114.2	T626 M725	T626-A628 PolarHBondContact O-N 3.19Å; A628-M725 HydrophobicContact CB-CE 3.85Å
629	N	87.9	Confident	90.7	Very high	52 Å²	52	33.1 Å²	33.1	28%	0.278	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-118.7	29	178.8	-66.6	-88.4	0	0	0	111.4	L588 K623 T626 V627	L588-N629 WeakPolarHBondContact CB-O 3.27Å; L588-N629 PolarHBondContact N-O 3Å; K623-N629 WeakPolarHBondContact O-CB 3.35Å; K623-N629 VanDerWaalsContact O-CG 3.31Å; K623-N629 PolarHBondContact O-ND2 2.79Å; T626-N629 CarbonylContact O-C 3.59Å; T626-N629 PolarHBondContact O-N 3.39Å; T626-N629 PolarHBondContact OG1-ND2 2.86Å; V627-N629 PolarHBondContact O-N 3.31Å
630	G	87.9	Confident	90.7	Very high	11 Å²	11	31.4 Å²	31.4	11%	0.113	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	-8.8	170.5	0	0	0	0	0	116.5	Q572 T626 V627 R632	Q572-G630 PolarHBondContact OE1-O 3.48Å; T626-G630 PolarHBondContact O-N 3.18Å; V627-G630 PolarHBondContact O-N 2.9Å; G630-R632 PolarHBondContact O-N 2.94Å
631	A	91.1	Very high	90.7	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.033	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-64.3	122	-177.6	0	0	0	0	0	112	L588 L625 T626 V627	L588-A631 HydrophobicContact CD1-CB 3.78Å; L625-A631 VanDerWaalsContact C-CB 3.46Å; T626-A631 WeakPolarHBondContact O-CB 3.37Å; T626-A631 PolarHBondContact O-N 3.24Å; V627-A631 WeakPolarHBondContact CA-O 3.4Å
632	R	89.5	Confident	90.8	Very high	36 Å²	36	27.9 Å²	27.9	14%	0.136	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-85.6	126.9	-172.4	-67.6	176.9	-65.9	165.8	3.2	111.2	V533 D534 R568 D569 V570 G630 V635 K637	V533-R632 PolarHBondContact O-NH2 3.47Å; D534-R632 IonicContact OD1-CZ 3.71Å; D534-R632 VanDerWaalsContact OD1-CZ 3.27Å; D534-R632 IonicContact OD1-NE 2.71Å; D534-R632 PolarHBondContact OD1-NE 2.85Å; D534-R632 IonicContact OD1-NH2 2.83Å; D534-R632 PolarHBondContact OD1-NH2 3.02Å; D534-R632 PolarHBondContact OD2-N 3.2Å; R568-R632 PolarHBondContact O-NH1 3.35Å; D569-R632 PolarHBondContact O-NH1 3.46Å; V570-R632 PolarHBondContact O-NH1 3.48Å; V570-R632 PolarHBondContact O-NH2 3.41Å; G630-R632 PolarHBondContact O-N 2.94Å; R632-V635 HydrophobicContact CB-CB 3.82Å; R632-V635 HydrophobicContact CB-CG2 3.49Å; R632-V635 VanDerWaalsContact CB-CG2 3.49Å; R632-V635 PolarHBondContact O-N 3.33Å; R632-K637 PolarHBondContact O-NZ 3.36Å
633	P	85.1	Confident	90.8	Very high	51 Å²	51	24.2 Å²	24.2	33%	0.331	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	138.4	172.3	-23.4	34.4	0	0	0	111.5	V627 V635 P723 F737	V627-P633 HydrophobicContact CG2-CG 4.09Å; P633-V635 PolarHBondContact O-N 3.26Å; P633-P723 HydrophobicContact CB-CB 4.19Å; P633-P723 HydrophobicContact CG-CB 4.12Å; P633-F737 HydrophobicContact CB-CE1 3.67Å; P633-F737 HydrophobicContact CB-CZ 3.89Å; P633-F737 HydrophobicContact CG-CE1 4.37Å; P633-F737 HydrophobicContact CG-CZ 4.16Å
634	G	79.8	Confident	90.6	Very high	20 Å²	20	20.5 Å²	20.5	21%	0.206	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	11.3	179.3	0	0	0	0	0	115.5	V716	G634-V716 WeakPolarHBondContact O-CB 3.01Å; G634-V716 VanDerWaalsContact O-CG1 3.29Å; G634-V716 WeakPolarHBondContact O-CG1 3.43Å; G634-V716 WeakPolarHBondContact O-CG2 3.28Å
635	V	88.1	Confident	89.6	Confident	22 Å²	22	21.6 Å²	21.6	13%	0.133	14%	0.142	C	C	.	.	S	Bend	trans	-107.7	136.5	173.5	174.6	0	0	0	0	109.3	A532 R632 P633 K637	A532-V635 VanDerWaalsContact C-CG1 3.48Å; A532-V635 HydrophobicContact CB-CB 4.42Å; A532-V635 HydrophobicContact CB-CG1 3.79Å; A532-V635 HydrophobicContact CB-CG2 3.83Å; A532-V635 WeakPolarHBondContact O-CG1 3.43Å; R632-V635 HydrophobicContact CB-CB 3.82Å; R632-V635 HydrophobicContact CB-CG2 3.49Å; R632-V635 VanDerWaalsContact CB-CG2 3.49Å; R632-V635 PolarHBondContact O-N 3.33Å; P633-V635 PolarHBondContact O-N 3.26Å; V635-K637 PolarHBondContact O-NZ 3.28Å
636	N	90.4	Very high	88.7	Confident	29 Å²	29	23.6 Å²	23.6	16%	0.155	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	135.7	177.9	-80.4	-37	0	0	0	110.5	V533 D534 V712 K714 V716	V533-N636 WeakPolarHBondContact CA-O 3.32Å; D534-N636 PolarHBondContact N-O 2.87Å; N636-V712 HydrophobicContact CB-CB 4.39Å; N636-V712 HydrophobicContact CB-CG1 4.3Å; N636-V712 HydrophobicContact CB-CG2 4.19Å; N636-V712 VanDerWaalsContact ND2-C 3.35Å; N636-V712 PolarHBondContact ND2-O 2.65Å; N636-K714 PolarHBondContact ND2-O 2.76Å; N636-V716 WeakPolarHBondContact OD1-CG1 3.01Å
637	K	92.4	Very high	87.9	Confident	9 Å²	9	22.9 Å²	22.9	4%	0.039	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.2	-177.6	-76.3	157.9	-166.5	67	0	109.9	D534 L625 R632 V635 V663 S664 P721	D534-K637 HydrophobicContact CB-CG 3.79Å; D534-K637 WeakPolarHBondContact O-CA 3.46Å; D534-K637 IonicContact OD2-NZ 3.71Å; L625-K637 HydrophobicContact CD2-CB 4.43Å; L625-K637 HydrophobicContact CD2-CD 4.23Å; L625-K637 HydrophobicContact CD2-CG 4.27Å; R632-K637 PolarHBondContact O-NZ 3.36Å; V635-K637 PolarHBondContact O-NZ 3.28Å; K637-V663 HydrophobicContact CB-CB 4.26Å; K637-V663 HydrophobicContact CB-CG1 3.86Å; K637-V663 HydrophobicContact CB-CG2 3.88Å; K637-V663 HydrophobicContact CD-CG2 4.19Å; K637-S664 PolarHBondContact O-N 2.87Å; K637-P721 VanDerWaalsContact CD-CD 3.45Å; K637-P721 HydrophobicContact CD-CG 3.47Å; K637-P721 VanDerWaalsContact CD-CG 3.47Å
638	A	94.6	Very high	87.5	Confident	3 Å²	3	20.7 Å²	20.7	3%	0.025	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.5	177.1	0	0	0	0	0	109.9	D534 L535 V536 S664 F666 V708	D534-A638 PolarHBondContact O-N 2Å; L535-A638 CarbonylContact C-O 3.34Å; L535-A638 WeakPolarHBondContact CA-O 3.36Å; L535-A638 HydrophobicContact CD1-CB 3.71Å; V536-A638 PolarHBondContact N-O 3.33Å; A638-S664 CarbonylContact C-O 3.55Å; A638-S664 WeakPolarHBondContact CA-O 3.46Å; A638-F666 HydrophobicContact CB-CD2 4.24Å; A638-F666 HydrophobicContact CB-CE2 3.83Å; A638-V708 HydrophobicContact CB-CG1 4.23Å
639	V	97.7	Very high	87.4	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.6	171.5	178.9	0	0	0	0	107.5	V536 L617 I620 L625 V641 I658 V663 S664 V665 F666	V536-V639 HydrophobicContact CB-CG2 4.33Å; V536-V639 CarbonylContact O-C 3.44Å; V536-V639 WeakPolarHBondContact O-CA 3.42Å; L617-V639 HydrophobicContact CD2-CG1 4.24Å; I620-V639 HydrophobicContact CD1-CG1 4Å; I620-V639 HydrophobicContact CG2-CG1 4.4Å; I620-V639 HydrophobicContact CG2-CG2 3.83Å; L625-V639 HydrophobicContact CD1-CG2 4.03Å; V639-V641 HydrophobicContact CG1-CG2 4.16Å; V639-I658 HydrophobicContact CG2-CG2 4.39Å; V639-V663 HydrophobicContact CG2-CG1 3.76Å; V639-S664 PolarHBondContact N-O 3.33Å; V639-V665 CarbonylContact O-C 3.53Å; V639-V665 WeakPolarHBondContact O-CA 3.44Å; V639-F666 PolarHBondContact O-N 3.25Å
640	V	97.9	Very high	87.4	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	115.4	175	-178.5	0	0	0	0	108.3	L535 V536 F537 A538 F666 V668 L704 V708	L535-V640 HydrophobicContact CD1-CG2 3.85Å; V536-V640 PolarHBondContact O-N 2.87Å; F537-V640 HydrophobicContact CD1-CB 3.74Å; F537-V640 HydrophobicContact CD1-CG1 4.01Å; F537-V640 HydrophobicContact CD1-CG2 4.36Å; F537-V640 HydrophobicContact CE1-CB 3.87Å; F537-V640 HydrophobicContact CE1-CG1 4.02Å; F537-V640 HydrophobicContact CE1-CG2 4.04Å; A538-V640 PolarHBondContact N-O 3.33Å; V640-F666 WeakPolarHBondContact CA-O 3Å; V640-F666 HydrophobicContact CG2-CB 4.26Å; V640-F666 HydrophobicContact CG2-CD2 4.33Å; V640-V668 HydrophobicContact CG1-CG2 4.1Å; V640-L704 HydrophobicContact CG1-CD1 4.21Å; V640-L704 HydrophobicContact CG1-CD2 3.85Å; V640-L704 HydrophobicContact CG2-CD1 4.21Å; V640-L704 HydrophobicContact CG2-CD2 4.49Å; V640-V708 HydrophobicContact CG2-CG2 4.45Å
641	V	97.3	Very high	87.6	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.3	177.8	-174.5	0	0	0	0	109.4	A538 T613 L617 V639 T643 V665 F666 V667 V668	A538-V641 HydrophobicContact CB-CG2 4.42Å; T613-V641 HydrophobicContact CG2-CG1 4.04Å; L617-V641 HydrophobicContact CD2-CG2 3.81Å; V639-V641 HydrophobicContact CG1-CG2 4.16Å; V641-T643 HydrophobicContact CG1-CG2 4.23Å; V641-V665 HydrophobicContact CG2-CG1 4.44Å; V641-F666 PolarHBondContact N-O 2.86Å; V641-V667 HydrophobicContact CB-CG1 4.33Å; V641-V668 PolarHBondContact O-N 3.13Å
642	L	96.1	Very high	87.6	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	112.6	175.5	-64.8	167.8	0	0	0	108.7	A538 L539 D540 L553 F556 V557 V668	A538-L642 PolarHBondContact O-N 3.18Å; L539-L642 HydrophobicContact CD1-CD1 3.95Å; L539-L642 HydrophobicContact CG-CD1 4.03Å; D540-L642 VanDerWaalsContact CB-O 3.25Å; D540-L642 WeakPolarHBondContact CB-O 3.49Å; D540-L642 PolarHBondContact N-O 2.89Å; D540-L642 VanDerWaalsContact N-O 3.08Å; L553-L642 HydrophobicContact CD1-CB 4.44Å; L553-L642 HydrophobicContact CD2-CB 4.2Å; F556-L642 HydrophobicContact CD1-CD1 4.02Å; F556-L642 HydrophobicContact CD1-CD2 3.73Å; F556-L642 HydrophobicContact CE1-CD2 3.64Å; V557-L642 HydrophobicContact CG2-CD1 3.45Å; V557-L642 VanDerWaalsContact CG2-CD1 3.45Å; L642-V668 HydrophobicContact CD2-CB 3.49Å; L642-V668 VanDerWaalsContact CD2-CB 3.49Å; L642-V668 HydrophobicContact CD2-CG1 3.81Å; L642-V668 HydrophobicContact CD2-CG2 3.83Å
643	T	92	Very high	87.7	Confident	4 Å²	4	29.2 Å²	29.2	3%	0.025	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	155	-173.5	-176.3	0	0	0	0	112.1	D540 Y578 V641 G645 V667 V668 G669 I670	D540-T643 PolarHBondContact OD2-OG1 3.15Å; D540-T643 VanDerWaalsContact OD2-OG1 3.12Å; Y578-T643 WeakPolarHBondContact OH-CB 3.38Å; V641-T643 HydrophobicContact CG1-CG2 4.23Å; T643-G645 PolarHBondContact OG1-N 2.79Å; T643-G645 VanDerWaalsContact OG1-N 3.15Å; T643-V667 HydrophobicContact CG2-CG1 4.23Å; T643-V668 PolarHBondContact N-O 2.94Å; T643-V668 VanDerWaalsContact N-O 3.13Å; T643-G669 CarbonylContact O-C 3.47Å; T643-G669 VanDerWaalsContact O-CA 3.32Å; T643-G669 WeakPolarHBondContact O-CA 3.4Å; T643-I670 PolarHBondContact O-N 3.11Å
644	D	87.3	Confident	88.2	Confident	26 Å²	26	27.3 Å²	27.3	14%	0.139	17%	0.174	C	C	.	.			trans	-83.6	3.9	168.8	69.3	4.9	0	0	0	113	G544 S646 I670	G544-D644 VanDerWaalsContact C-OD2 3.27Å; D644-S646 VanDerWaalsContact C-N 3.34Å; D644-S646 WeakPolarHBondContact OD1-CA 3.44Å; D644-S646 WeakPolarHBondContact OD1-CB 3.49Å; D644-S646 PolarHBondContact OD1-N 3.07Å; D644-S646 PolarHBondContact OD1-OG 3Å; D644-S646 PolarHBondContact OD2-OG 3.43Å; D644-I670 WeakPolarHBondContact CA-O 2.94Å
645	G	74.7	Confident	88.9	Confident	25 Å²	25	26.4 Å²	26.4	26%	0.258	16%	0.164	S	C	.	.	S	Bend	trans	89	-5.7	-178.3	0	0	0	0	0	114.2	T643	T643-G645 PolarHBondContact OG1-N 2.79Å; T643-G645 VanDerWaalsContact OG1-N 3.15Å
646	S	73.9	Confident	89.1	Confident	52 Å²	52	29.8 Å²	29.8	36%	0.364	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	138	175.1	-57.1	0	0	0	0	110.9	V611 D644 G648	V611-S646 VanDerWaalsContact CG1-O 3.32Å; V611-S646 WeakPolarHBondContact CG1-O 3.45Å; V611-S646 WeakPolarHBondContact CG2-O 3.29Å; D644-S646 VanDerWaalsContact C-N 3.34Å; D644-S646 WeakPolarHBondContact OD1-CA 3.44Å; D644-S646 WeakPolarHBondContact OD1-CB 3.49Å; D644-S646 PolarHBondContact OD1-N 3.07Å; D644-S646 PolarHBondContact OD1-OG 3Å; D644-S646 PolarHBondContact OD2-OG 3.43Å; S646-G648 VanDerWaalsContact C-N 3.35Å; S646-G648 PolarHBondContact O-N 2.88Å
647	G	72.4	Confident	89.3	Confident	22 Å²	22	33.4 Å²	33.4	23%	0.227	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	26.9	177.3	0	0	0	0	0	115	T613 D649	T613-G647 WeakPolarHBondContact CB-O 3.43Å; T613-G647 PolarHBondContact N-O 3.15Å; G647-D649 VanDerWaalsContact C-N 3.34Å
648	G	76.1	Confident	89.4	Confident	5 Å²	5	33 Å²	33	5%	0.052	19%	0.191	C	C	.	.			trans	-80.5	-8	172.3	0	0	0	0	0	115	S646 D650 A651	S646-G648 VanDerWaalsContact C-N 3.35Å; S646-G648 PolarHBondContact O-N 2.88Å; G648-D650 VanDerWaalsContact C-N 3.28Å; G648-D650 PolarHBondContact O-N 3.06Å; G648-A651 WeakPolarHBondContact O-CB 3.46Å; G648-A651 PolarHBondContact O-N 3.22Å; G648-A651 VanDerWaalsContact O-N 3.1Å
649	D	82.1	Confident	89.3	Confident	119 Å²	119	36 Å²	36	64%	0.636	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-32.3	-172.5	-66.2	-36	0	0	0	113.6	G647 K677	G647-D649 VanDerWaalsContact C-N 3.34Å; D649-K677 WeakPolarHBondContact OD1-CE 3.08Å; D649-K677 IonicContact OD1-NZ 2.88Å; D649-K677 PolarHBondContact OD1-NZ 3.03Å
650	D	89.3	Confident	89	Confident	74 Å²	74	40.8 Å²	40.8	40%	0.396	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	3.2	179.5	65.7	-4.7	0	0	0	113.4	S612 G614 G648 P654	S612-D650 WeakPolarHBondContact CB-OD2 3.45Å; S612-D650 PolarHBondContact OG-OD2 3.03Å; G614-D650 WeakPolarHBondContact CA-O 3.41Å; G614-D650 WeakPolarHBondContact CA-OD1 3.34Å; G614-D650 PolarHBondContact N-OD1 2.95Å; G648-D650 VanDerWaalsContact C-N 3.28Å; G648-D650 PolarHBondContact O-N 3.06Å; D650-P654 WeakPolarHBondContact O-CD 3.33Å; D650-P654 WeakPolarHBondContact O-CG 3.35Å
651	A	91.3	Very high	88.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-19.5	-171.1	0	0	0	0	0	114.3	T613 L617 G648 V653 P654 A655 I681	T613-A651 HydrophobicContact CG2-CB 3.77Å; L617-A651 HydrophobicContact CD1-CB 4.14Å; G648-A651 WeakPolarHBondContact O-CB 3.46Å; G648-A651 PolarHBondContact O-N 3.22Å; G648-A651 VanDerWaalsContact O-N 3.1Å; A651-V653 PolarHBondContact O-N 2.76Å; A651-P654 WeakPolarHBondContact O-CD 3.43Å; A651-A655 WeakPolarHBondContact O-CB 3.42Å; A651-A655 PolarHBondContact O-N 3.26Å; A651-I681 HydrophobicContact CB-CD1 3.53Å; A651-I681 HydrophobicContact CB-CG1 3.71Å
652	V	90.6	Very high	88.2	Confident	40 Å²	40	43.2 Å²	43.2	24%	0.242	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-50.7	-174.9	179.5	0	0	0	0	112.1	A655 Q656 M680	V652-A655 PolarHBondContact O-N 3.29Å; V652-Q656 WeakPolarHBondContact O-CB 3.32Å; V652-Q656 PolarHBondContact O-N 3.21Å; V652-M680 HydrophobicContact CG1-CB 4.22Å; V652-M680 HydrophobicContact CG2-CB 3.84Å; V652-M680 HydrophobicContact CG2-CE 4.16Å; V652-M680 HydrophobicContact CG2-SD 4.27Å
653	V	92.3	Very high	88	Confident	111 Å²	111	43.4 Å²	43.4	67%	0.673	25%	0.252	S	S	*	.	H	α-helix	trans	-68.6	-47.6	-177.7	175	0	0	0	0	112	A651 A655 Q656 K657	A651-V653 PolarHBondContact O-N 2.76Å; V653-A655 PolarHBondContact O-N 2.86Å; V653-Q656 PolarHBondContact O-N 3.29Å; V653-K657 PolarHBondContact O-N 2.8Å
654	P	94.9	Very high	88.1	Confident	12 Å²	12	44.3 Å²	44.3	8%	0.078	26%	0.258	C	S	.	.	H	α-helix	trans	-57.2	-42.6	172.1	-30.3	39	0	0	0	114.2	L617 L618 D650 A651 K657 I658	L617-P654 HydrophobicContact CB-CB 3.66Å; L617-P654 HydrophobicContact CD1-CB 4.42Å; L618-P654 HydrophobicContact CD1-CB 4.26Å; L618-P654 HydrophobicContact CD1-CG 3.54Å; L618-P654 HydrophobicContact CG-CB 3.98Å; L618-P654 HydrophobicContact CG-CG 3.79Å; D650-P654 WeakPolarHBondContact O-CD 3.33Å; D650-P654 WeakPolarHBondContact O-CG 3.35Å; A651-P654 WeakPolarHBondContact O-CD 3.43Å; P654-K657 WeakPolarHBondContact O-CB 3.25Å; P654-K657 PolarHBondContact O-N 2.83Å; P654-I658 WeakPolarHBondContact O-CG1 3.43Å; P654-I658 PolarHBondContact O-N 3.09Å
655	A	95	Very high	88.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-45.2	178.7	0	0	0	0	0	111.3	L617 A651 V652 V653 K657 I658 R659 I681	L617-A655 HydrophobicContact CD1-CB 3.7Å; A651-A655 WeakPolarHBondContact O-CB 3.42Å; A651-A655 PolarHBondContact O-N 3.26Å; V652-A655 PolarHBondContact O-N 3.29Å; V653-A655 PolarHBondContact O-N 2.86Å; A655-K657 VanDerWaalsContact C-N 3.32Å; A655-K657 PolarHBondContact O-N 3.43Å; A655-I658 PolarHBondContact O-N 3.44Å; A655-R659 WeakPolarHBondContact O-CG 3.45Å; A655-R659 PolarHBondContact O-N 2.83Å; A655-I681 HydrophobicContact CB-CB 4.35Å; A655-I681 HydrophobicContact CB-CG2 3.9Å; A655-I681 WeakPolarHBondContact CB-O 3.22Å
656	Q	93.4	Very high	89.6	Confident	93 Å²	93	42 Å²	42	44%	0.435	24%	0.24	S	C	.	.	H	α-helix	trans	-59.2	-43.9	175.1	-175.9	171.7	-2.4	0	0	111.5	V652 V653 I658 R659 D660	V652-Q656 WeakPolarHBondContact O-CB 3.32Å; V652-Q656 PolarHBondContact O-N 3.21Å; V653-Q656 PolarHBondContact O-N 3.29Å; Q656-I658 VanDerWaalsContact C-N 3.3Å; Q656-I658 PolarHBondContact O-N 2.84Å; Q656-R659 PolarHBondContact O-N 2.83Å; Q656-R659 VanDerWaalsContact O-N 3.15Å; Q656-D660 WeakPolarHBondContact O-CB 3.33Å; Q656-D660 VanDerWaalsContact O-CG 3.22Å; Q656-D660 PolarHBondContact O-N 2.91Å
657	K	93.3	Very high	90.6	Very high	105 Å²	105	39.6 Å²	39.6	46%	0.457	22%	0.223	S	C	.	.	H	α-helix	trans	-59.1	-39.5	176.8	-170.1	174.7	-174.4	178.5	0	112.8	Y621 V653 P654 A655 S661	Y621-K657 HydrophobicContact CD1-CD 4.36Å; Y621-K657 HydrophobicContact CE1-CD 4.14Å; Y621-K657 VanDerWaalsContact CE1-CE 3.49Å; Y621-K657 HydrophobicContact CE1-CG 4.42Å; Y621-K657 HydrophobicContact CE2-CG 4.23Å; V653-K657 PolarHBondContact O-N 2.8Å; P654-K657 WeakPolarHBondContact O-CB 3.25Å; P654-K657 PolarHBondContact O-N 2.83Å; A655-K657 VanDerWaalsContact C-N 3.32Å; A655-K657 PolarHBondContact O-N 3.43Å; K657-S661 PolarHBondContact O-N 3.47Å
658	I	95.1	Very high	91.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.1	-48.5	174.5	-68.9	169.8	0	0	0	110.4	L617 Y621 V639 P654 A655 Q656 D660 S661 V663 V665	L617-I658 HydrophobicContact CB-CD1 3.76Å; L617-I658 HydrophobicContact CD2-CD1 3.78Å; L617-I658 HydrophobicContact CG-CD1 4.3Å; L617-I658 WeakPolarHBondContact O-CD1 3.43Å; Y621-I658 HydrophobicContact CD2-CG1 3.92Å; Y621-I658 HydrophobicContact CG-CG1 4.3Å; V639-I658 HydrophobicContact CG2-CG2 4.39Å; P654-I658 WeakPolarHBondContact O-CG1 3.43Å; P654-I658 PolarHBondContact O-N 3.09Å; A655-I658 PolarHBondContact O-N 3.44Å; Q656-I658 VanDerWaalsContact C-N 3.3Å; Q656-I658 PolarHBondContact O-N 2.84Å; I658-D660 PolarHBondContact O-N 2.81Å; I658-S661 WeakPolarHBondContact O-CB 3.45Å; I658-S661 PolarHBondContact O-N 2.81Å; I658-S661 VanDerWaalsContact O-N 3.12Å; I658-S661 PolarHBondContact O-OG 2.78Å; I658-V663 HydrophobicContact CG2-CB 3.5Å; I658-V663 HydrophobicContact CG2-CG1 3.47Å; I658-V663 VanDerWaalsContact CG2-CG1 3.47Å; I658-V663 HydrophobicContact CG2-CG2 4.28Å; I658-V663 PolarHBondContact O-N 3.4Å; I658-V665 HydrophobicContact CB-CG2 4Å; I658-V665 HydrophobicContact CG2-CG2 3.41Å; I658-V665 VanDerWaalsContact CG2-CG2 3.41Å
659	R	93.5	Very high	92.4	Very high	67 Å²	67	38.3 Å²	38.3	25%	0.253	21%	0.21	S	C	.	.	H	α-helix	trans	-62.1	-42.7	-179.9	-65.8	-173	-49.2	-103.4	3.8	112.8	A655 Q656 S661 G662 V663 V665 M680 I681 A682	A655-R659 WeakPolarHBondContact O-CG 3.45Å; A655-R659 PolarHBondContact O-N 2.83Å; Q656-R659 PolarHBondContact O-N 2.83Å; Q656-R659 VanDerWaalsContact O-N 3.15Å; R659-S661 PolarHBondContact O-N 2.8Å; R659-S661 VanDerWaalsContact O-N 3.16Å; R659-G662 PolarHBondContact O-N 2.88Å; R659-V663 WeakPolarHBondContact CA-O 3.22Å; R659-V665 HydrophobicContact CG-CB 4.16Å; R659-V665 HydrophobicContact CG-CG2 3.76Å; R659-M680 PolarHBondContact NH1-O 3.34Å; R659-M680 PolarHBondContact NH2-O 3.05Å; R659-I681 VanDerWaalsContact NH1-C 3.33Å; R659-I681 PolarHBondContact NH1-O 3.33Å; R659-A682 WeakPolarHBondContact CD-O 3.36Å
660	D	91	Very high	93	Very high	100 Å²	100	32.8 Å²	32.8	54%	0.535	18%	0.18	S	C	.	.	H	α-helix	trans	-61.5	-26.3	177.9	-69.5	-16.5	0	0	0	112.3	Q656 I658 G662 K720	Q656-D660 WeakPolarHBondContact O-CB 3.33Å; Q656-D660 VanDerWaalsContact O-CG 3.22Å; Q656-D660 PolarHBondContact O-N 2.91Å; I658-D660 PolarHBondContact O-N 2.81Å; D660-G662 PolarHBondContact O-N 2.81Å; D660-K720 PolarHBondContact O-NZ 2.83Å; D660-K720 VanDerWaalsContact O-NZ 3.12Å
661	S	89.1	Confident	92.8	Very high	13 Å²	13	30.5 Å²	30.5	9%	0.091	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	6.2	174.2	82.1	0	0	0	0	114.5	K657 I658 R659 V663 K720 P721	K657-S661 PolarHBondContact O-N 3.47Å; I658-S661 WeakPolarHBondContact O-CB 3.45Å; I658-S661 PolarHBondContact O-N 2.81Å; I658-S661 VanDerWaalsContact O-N 3.12Å; I658-S661 PolarHBondContact O-OG 2.78Å; R659-S661 PolarHBondContact O-N 2.8Å; R659-S661 VanDerWaalsContact O-N 3.16Å; S661-V663 WeakPolarHBondContact OG-CG2 3.43Å; S661-K720 CarbonylContact O-C 3.55Å; S661-K720 WeakPolarHBondContact O-CA 3.49Å; S661-K720 VanDerWaalsContact O-CB 3.27Å; S661-K720 WeakPolarHBondContact O-CB 3.42Å; S661-P721 VanDerWaalsContact O-CA 3.31Å; S661-P721 WeakPolarHBondContact O-CA 3.39Å
662	G	88.2	Confident	92.3	Very high	40 Å²	40	39.3 Å²	39.3	41%	0.412	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	17.5	176.7	0	0	0	0	0	114.4	R659 D660	R659-G662 PolarHBondContact O-N 2.88Å; D660-G662 PolarHBondContact O-N 2.81Å
663	V	93.1	Very high	91.7	Very high	3 Å²	3	39 Å²	39	2%	0.018	22%	0.218	C	C	.	.			trans	-100.4	131.3	178.7	177.9	0	0	0	0	108.8	L625 K637 V639 I658 R659 S661 P721	L625-V663 HydrophobicContact CD1-CG1 4Å; L625-V663 HydrophobicContact CD1-CG2 4.05Å; K637-V663 HydrophobicContact CB-CB 4.26Å; K637-V663 HydrophobicContact CB-CG1 3.86Å; K637-V663 HydrophobicContact CB-CG2 3.88Å; K637-V663 HydrophobicContact CD-CG2 4.19Å; V639-V663 HydrophobicContact CG2-CG1 3.76Å; I658-V663 HydrophobicContact CG2-CB 3.5Å; I658-V663 HydrophobicContact CG2-CG1 3.47Å; I658-V663 VanDerWaalsContact CG2-CG1 3.47Å; I658-V663 HydrophobicContact CG2-CG2 4.28Å; I658-V663 PolarHBondContact O-N 3.4Å; R659-V663 WeakPolarHBondContact CA-O 3.22Å; S661-V663 WeakPolarHBondContact OG-CG2 3.43Å; V663-P721 HydrophobicContact CG2-CG 4.32Å
664	S	94.1	Very high	90.9	Very high	23 Å²	23	39.7 Å²	39.7	16%	0.161	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	131.6	177	-59.9	0	0	0	0	110.1	K637 A638 V639	K637-S664 PolarHBondContact O-N 2.87Å; A638-S664 CarbonylContact C-O 3.55Å; A638-S664 WeakPolarHBondContact CA-O 3.46Å; V639-S664 PolarHBondContact N-O 3.33Å
665	V	96	Very high	90.2	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	107.3	-179.9	-177.8	0	0	0	0	108.9	V639 V641 I658 R659 V667 I681 Y687	V639-V665 CarbonylContact O-C 3.53Å; V639-V665 WeakPolarHBondContact O-CA 3.44Å; V641-V665 HydrophobicContact CG2-CG1 4.44Å; I658-V665 HydrophobicContact CB-CG2 4Å; I658-V665 HydrophobicContact CG2-CG2 3.41Å; I658-V665 VanDerWaalsContact CG2-CG2 3.41Å; R659-V665 HydrophobicContact CG-CB 4.16Å; R659-V665 HydrophobicContact CG-CG2 3.76Å; V665-V667 HydrophobicContact CG1-CG2 4.4Å; V665-I681 HydrophobicContact CG1-CG2 4.49Å; V665-Y687 WeakPolarHBondContact O-CB 3.34Å
666	F	96.4	Very high	89.6	Confident	2 Å²	2	51 Å²	51	1%	0.009	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	138.3	174.7	-57.5	-87.7	0	0	0	109.7	A638 V639 V640 V641 Y687 L704 M707 V708 E711	A638-F666 HydrophobicContact CB-CD2 4.24Å; A638-F666 HydrophobicContact CB-CE2 3.83Å; V639-F666 PolarHBondContact O-N 3.25Å; V640-F666 WeakPolarHBondContact CA-O 3Å; V640-F666 HydrophobicContact CG2-CB 4.26Å; V640-F666 HydrophobicContact CG2-CD2 4.33Å; V641-F666 PolarHBondContact N-O 2.86Å; F666-Y687 CarbonylContact C-O 3.58Å; F666-Y687 VanDerWaalsContact CA-O 3.29Å; F666-Y687 WeakPolarHBondContact CA-O 3.43Å; F666-Y687 AromaticContact CD1-CD1 3.7Å; F666-Y687 HydrophobicContact CD1-CD1 3.7Å; F666-Y687 HydrophobicContact CD1-CG 4.4Å; F666-Y687 AromaticContact CE1-CD1 3.39Å; F666-Y687 HydrophobicContact CE1-CD1 3.39Å; F666-Y687 AromaticContact CE1-CE1 3.97Å; F666-Y687 HydrophobicContact CE1-CE1 3.97Å; F666-Y687 HydrophobicContact CE1-CG 4.39Å; F666-Y687 HydrophobicContact CG-CD1 4.43Å; F666-Y687 AromaticContact CZ-CD1 3.92Å; F666-Y687 HydrophobicContact CZ-CD1 3.92Å; F666-Y687 HydrophobicContact CZ-CE1 4.15Å; F666-L704 HydrophobicContact CB-CD1 4.21Å; F666-L704 HydrophobicContact CG-CD1 4.41Å; F666-M707 HydrophobicContact CD1-CB 4.16Å; F666-M707 HydrophobicContact CD1-CE 3.84Å; F666-M707 HydrophobicContact CE1-CB 3.73Å; F666-M707 HydrophobicContact CE1-CE 4.3Å; F666-M707 WeakPolarHBondContact CZ-O 3.42Å; F666-V708 HydrophobicContact CD2-CG2 4.06Å; F666-V708 HydrophobicContact CE2-CB 4.47Å; F666-V708 HydrophobicContact CE2-CG2 3.79Å; F666-V708 HydrophobicContact CZ-CB 4.46Å; F666-V708 HydrophobicContact CZ-CG2 4.06Å; F666-E711 HydrophobicContact CE1-CG 4.23Å; F666-E711 HydrophobicContact CZ-CB 4.18Å; F666-E711 HydrophobicContact CZ-CG 3.63Å
667	V	95.2	Very high	88.8	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	118.8	177.7	-167.1	0	0	0	0	109.8	V641 T643 V665 V678 I681 A682 Y687 M688 I689	V641-V667 HydrophobicContact CB-CG1 4.33Å; T643-V667 HydrophobicContact CG2-CG1 4.23Å; V665-V667 HydrophobicContact CG1-CG2 4.4Å; V667-V678 HydrophobicContact CB-CG1 3.97Å; V667-V678 HydrophobicContact CG1-CG1 3.51Å; V667-I681 HydrophobicContact CG2-CB 4.07Å; V667-I681 HydrophobicContact CG2-CG2 3.61Å; V667-A682 HydrophobicContact CB-CB 4.33Å; V667-A682 HydrophobicContact CG2-CB 3.85Å; V667-Y687 PolarHBondContact N-O 2.9Å; V667-M688 CarbonylContact O-C 3.56Å; V667-M688 WeakPolarHBondContact O-CA 3.44Å; V667-I689 PolarHBondContact O-N 3.12Å
668	V	95.6	Very high	88.4	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	100.5	171.7	-175.2	0	0	0	0	106.8	V640 V641 L642 T643 I689 L697 L704	V640-V668 HydrophobicContact CG1-CG2 4.1Å; V641-V668 PolarHBondContact O-N 3.13Å; L642-V668 HydrophobicContact CD2-CB 3.49Å; L642-V668 VanDerWaalsContact CD2-CB 3.49Å; L642-V668 HydrophobicContact CD2-CG1 3.81Å; L642-V668 HydrophobicContact CD2-CG2 3.83Å; T643-V668 PolarHBondContact N-O 2.94Å; T643-V668 VanDerWaalsContact N-O 3.13Å; V668-I689 HydrophobicContact CB-CB 4.49Å; V668-I689 HydrophobicContact CG1-CB 4.3Å; V668-I689 HydrophobicContact CG1-CG2 4.13Å; V668-I689 HydrophobicContact CG2-CB 4.24Å; V668-I689 HydrophobicContact CG2-CD1 4.23Å; V668-L697 HydrophobicContact CG1-CD2 3.65Å; V668-L704 HydrophobicContact CG2-CD1 4.46Å; V668-L704 HydrophobicContact CG2-CD2 4.3Å
669	G	91.3	Very high	88	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.5	179.4	0	0	0	0	0	111.4	T643 M673 I689 S690 A691	T643-G669 CarbonylContact O-C 3.47Å; T643-G669 VanDerWaalsContact O-CA 3.32Å; T643-G669 WeakPolarHBondContact O-CA 3.4Å; G669-M673 WeakPolarHBondContact CA-SD 3.41Å; G669-M673 WeakPolarHBondContact O-CE 3.45Å; G669-I689 PolarHBondContact N-O 3.37Å; G669-S690 WeakPolarHBondContact O-CA 3.42Å; G669-A691 PolarHBondContact O-N 3.08Å
670	I	93.4	Very high	87.7	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.015	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130	-169.3	-56.7	155.7	0	0	0	110.1	L553 T643 D644 A691 Y694 L697	L553-I670 HydrophobicContact CD2-CD1 3.54Å; T643-I670 PolarHBondContact O-N 3.11Å; D644-I670 WeakPolarHBondContact CA-O 2.94Å; I670-A691 CarbonylContact C-O 3.59Å; I670-A691 WeakPolarHBondContact CA-O 3.43Å; I670-A691 HydrophobicContact CG1-CB 4.24Å; I670-Y694 HydrophobicContact CB-CE1 4.37Å; I670-Y694 HydrophobicContact CD1-CD1 3.85Å; I670-Y694 HydrophobicContact CD1-CE1 3.67Å; I670-Y694 HydrophobicContact CG2-CD1 3.93Å; I670-Y694 HydrophobicContact CG2-CD2 3.76Å; I670-Y694 HydrophobicContact CG2-CE1 4.02Å; I670-Y694 HydrophobicContact CG2-CE2 3.85Å; I670-Y694 HydrophobicContact CG2-CG 3.8Å; I670-L697 HydrophobicContact CD1-CD1 3.86Å; I670-L697 HydrophobicContact CD1-CD2 4.01Å; I670-L697 HydrophobicContact CD1-CG 4.31Å; I670-L697 HydrophobicContact CG1-CD2 3.97Å; I670-L697 HydrophobicContact CG1-CG 4.46Å
671	G	86.5	Confident	87.6	Confident	27 Å²	27	43.6 Å²	43.6	28%	0.278	23%	0.233	S	C	.	.	S	Bend	trans	81.1	-160	179.9	0	0	0	0	0	114.1	M673 A691 P692	G671-M673 PolarHBondContact O-N 3.45Å; G671-A691 PolarHBondContact N-O 3.45Å; G671-P692 WeakPolarHBondContact CA-O 3.37Å
672	D	79.8	Confident	87.6	Confident	184 Å²	184	43.1 Å²	43.1	98%	0.984	23%	0.229	S	C	*	.	S	Bend	trans	-78	86.7	-177.6	-75.7	-26.8	0	0	0	111.4
673	M	78.3	Confident	87.7	Confident	33 Å²	33	43.3 Å²	43.3	16%	0.163	23%	0.232	C	C	.	.			trans	-106.1	153.3	-178.6	56.6	168.5	170	0	0	113.4	G669 G671 R675 V678 S690	G669-M673 WeakPolarHBondContact CA-SD 3.41Å; G669-M673 WeakPolarHBondContact O-CE 3.45Å; G671-M673 PolarHBondContact O-N 3.45Å; M673-R675 PolarHBondContact O-N 2.98Å; M673-V678 HydrophobicContact CB-CG2 4.43Å; M673-V678 HydrophobicContact SD-CB 4.13Å; M673-V678 HydrophobicContact SD-CG1 4.03Å; M673-V678 HydrophobicContact SD-CG2 3.63Å; M673-S690 VanDerWaalsContact CE-CB 3.45Å; M673-S690 WeakPolarHBondContact CE-OG 3.33Å
674	Q	76.7	Confident	87.5	Confident	127 Å²	127	45.2 Å²	45.2	59%	0.593	25%	0.245	S	C	*	.			trans	-72.4	93	171.3	-66.9	-178.4	24.2	0	0	109.9	D676 K677 V678	Q674-D676 PolarHBondContact O-N 3.37Å; Q674-D676 VanDerWaalsContact O-N 3.1Å; Q674-K677 HydrophobicContact CB-CB 4.42Å; Q674-K677 HydrophobicContact CB-CD 4.21Å; Q674-K677 HydrophobicContact CB-CG 4.27Å; Q674-K677 PolarHBondContact O-N 3.09Å; Q674-V678 PolarHBondContact O-N 2.86Å
675	R	79.8	Confident	87	Confident	127 Å²	127	49 Å²	49	48%	0.479	26%	0.26	S	S	.	.	H	α-helix	trans	-46.3	-42.9	-176.5	-169.3	-178.7	178.2	117.2	-4.5	113.1	M673 K677 V678 L679 E685 M688	M673-R675 PolarHBondContact O-N 2.98Å; R675-K677 VanDerWaalsContact C-N 3.32Å; R675-K677 PolarHBondContact O-N 3.35Å; R675-V678 PolarHBondContact O-N 2.84Å; R675-L679 VanDerWaalsContact O-CB 3.25Å; R675-L679 WeakPolarHBondContact O-CB 3.19Å; R675-L679 PolarHBondContact O-N 2.8Å; R675-E685 IonicContact CZ-OE1 3.25Å; R675-E685 IonicContact NE-OE1 2.65Å; R675-E685 PolarHBondContact NE-OE1 3.06Å; R675-E685 IonicContact NH2-OE1 3.6Å; R675-E685 PolarHBondContact NH2-OE1 3.02Å; R675-E685 IonicContact NH2-OE2 3.45Å; R675-M688 HydrophobicContact CG-CE 3.9Å; R675-M688 HydrophobicContact CG-SD 4.41Å
676	D	81.8	Confident	86.5	Confident	123 Å²	123	56.1 Å²	56.1	66%	0.658	29%	0.293	S	S	*	.	H	α-helix	trans	-61	-37.6	-178.8	-63.1	-24.4	0	0	0	113	Q674 M680	Q674-D676 PolarHBondContact O-N 3.37Å; Q674-D676 VanDerWaalsContact O-N 3.1Å; D676-M680 WeakPolarHBondContact O-CG 3.01Å; D676-M680 PolarHBondContact O-N 2.91Å; D676-M680 VanDerWaalsContact O-N 3.12Å
677	K	77.4	Confident	86.2	Confident	61 Å²	61	58 Å²	58	27%	0.265	30%	0.301	S	S	.	.	H	α-helix	trans	-71.9	-43.4	179.9	-69	-175.6	177.5	173.8	0	111.7	D649 Q674 R675 L679 M680 I681	D649-K677 WeakPolarHBondContact OD1-CE 3.08Å; D649-K677 IonicContact OD1-NZ 2.88Å; D649-K677 PolarHBondContact OD1-NZ 3.03Å; Q674-K677 HydrophobicContact CB-CB 4.42Å; Q674-K677 HydrophobicContact CB-CD 4.21Å; Q674-K677 HydrophobicContact CB-CG 4.27Å; Q674-K677 PolarHBondContact O-N 3.09Å; R675-K677 VanDerWaalsContact C-N 3.32Å; R675-K677 PolarHBondContact O-N 3.35Å; K677-L679 VanDerWaalsContact C-N 3.31Å; K677-M680 HydrophobicContact CG-CE 4.21Å; K677-M680 PolarHBondContact O-N 3.37Å; K677-I681 WeakPolarHBondContact O-CG1 3.29Å; K677-I681 PolarHBondContact O-N 3.37Å
678	V	84.9	Confident	86	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.024	31%	0.305	C	S	.	.	H	α-helix	trans	-66	-38.4	178	179.1	0	0	0	0	110.6	V667 M673 Q674 R675 M680 I681 A682 M688	V667-V678 HydrophobicContact CB-CG1 3.97Å; V667-V678 HydrophobicContact CG1-CG1 3.51Å; M673-V678 HydrophobicContact CB-CG2 4.43Å; M673-V678 HydrophobicContact SD-CB 4.13Å; M673-V678 HydrophobicContact SD-CG1 4.03Å; M673-V678 HydrophobicContact SD-CG2 3.63Å; Q674-V678 PolarHBondContact O-N 2.86Å; R675-V678 PolarHBondContact O-N 2.84Å; V678-M680 VanDerWaalsContact C-N 3.34Å; V678-M680 PolarHBondContact O-N 2.02Å; V678-I681 PolarHBondContact O-N 3.16Å; V678-I681 VanDerWaalsContact O-N 3.14Å; V678-A682 PolarHBondContact O-N 2.03Å; V678-M688 HydrophobicContact CB-SD 4.16Å; V678-M688 HydrophobicContact CG1-CG 3.91Å; V678-M688 HydrophobicContact CG1-SD 3.74Å
679	L	86.9	Confident	85.7	Confident	47 Å²	47	59.2 Å²	59.2	25%	0.246	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-39.5	172.6	-179.8	58.2	0	0	0	112.4	R675 K677 I681 A682 G683 S684 E685	R675-L679 VanDerWaalsContact O-CB 3.25Å; R675-L679 WeakPolarHBondContact O-CB 3.19Å; R675-L679 PolarHBondContact O-N 2.8Å; K677-L679 VanDerWaalsContact C-N 3.31Å; L679-I681 VanDerWaalsContact C-N 3.29Å; L679-I681 PolarHBondContact O-N 2.88Å; L679-A682 PolarHBondContact O-N 2.95Å; L679-G683 WeakPolarHBondContact O-CA 3.37Å; L679-G683 PolarHBondContact O-N 3.34Å; L679-S684 VanDerWaalsContact CD1-C 3.4Å; L679-E685 HydrophobicContact CD1-CB 4.39Å; L679-E685 HydrophobicContact CD1-CG 3.68Å; L679-E685 VanDerWaalsContact CD1-N 3.33Å; L679-E685 HydrophobicContact CD2-CG 4.32Å
680	M	85.8	Confident	85.6	Confident	93 Å²	93	61.5 Å²	61.5	46%	0.458	32%	0.322	S	S	.	.	H	α-helix	trans	-66.1	-30	175.6	-72.5	-172	-71	0	0	113.2	V652 R659 D676 K677 V678	V652-M680 HydrophobicContact CG1-CB 4.22Å; V652-M680 HydrophobicContact CG2-CB 3.84Å; V652-M680 HydrophobicContact CG2-CE 4.16Å; V652-M680 HydrophobicContact CG2-SD 4.27Å; R659-M680 PolarHBondContact NH1-O 3.34Å; R659-M680 PolarHBondContact NH2-O 3.05Å; D676-M680 WeakPolarHBondContact O-CG 3.01Å; D676-M680 PolarHBondContact O-N 2.91Å; D676-M680 VanDerWaalsContact O-N 3.12Å; K677-M680 HydrophobicContact CG-CE 4.21Å; K677-M680 PolarHBondContact O-N 3.37Å; V678-M680 VanDerWaalsContact C-N 3.34Å; V678-M680 PolarHBondContact O-N 2.02Å
681	I	89.5	Confident	85.3	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-75.9	-41.6	175.2	-59.8	167.7	0	0	0	110.8	T613 L617 A651 A655 R659 V665 V667 K677 V678 L679	T613-I681 HydrophobicContact CG2-CD1 4.47Å; L617-I681 HydrophobicContact CD1-CG2 4.07Å; A651-I681 HydrophobicContact CB-CD1 3.53Å; A651-I681 HydrophobicContact CB-CG1 3.71Å; A655-I681 HydrophobicContact CB-CB 4.35Å; A655-I681 HydrophobicContact CB-CG2 3.9Å; A655-I681 WeakPolarHBondContact CB-O 3.22Å; R659-I681 VanDerWaalsContact NH1-C 3.33Å; R659-I681 PolarHBondContact NH1-O 3.33Å; V665-I681 HydrophobicContact CG1-CG2 4.49Å; V667-I681 HydrophobicContact CG2-CB 4.07Å; V667-I681 HydrophobicContact CG2-CG2 3.61Å; K677-I681 WeakPolarHBondContact O-CG1 3.29Å; K677-I681 PolarHBondContact O-N 3.37Å; V678-I681 PolarHBondContact O-N 3.16Å; V678-I681 VanDerWaalsContact O-N 3.14Å; L679-I681 VanDerWaalsContact C-N 3.29Å; L679-I681 PolarHBondContact O-N 2.88Å
682	A	89.8	Confident	85.1	Confident	2 Å²	2	64.6 Å²	64.6	2%	0.017	34%	0.338	C	S	.	.	H	α-helix	trans	-71.8	-35.5	176.6	0	0	0	0	0	112.1	R659 V667 V678 L679 S684 M688	R659-A682 WeakPolarHBondContact CD-O 3.36Å; V667-A682 HydrophobicContact CB-CB 4.33Å; V667-A682 HydrophobicContact CG2-CB 3.85Å; V678-A682 PolarHBondContact O-N 2.03Å; L679-A682 PolarHBondContact O-N 2.95Å; A682-S684 VanDerWaalsContact C-N 3.26Å; A682-S684 PolarHBondContact O-N 3.31Å; A682-M688 HydrophobicContact CB-CB 4.2Å
683	G	89	Confident	85.5	Confident	45 Å²	45	57.4 Å²	57.4	46%	0.464	30%	0.302	S	S	.	.	S	Bend	trans	86.8	-22.5	-176.1	0	0	0	0	0	114.3	L679	L679-G683 WeakPolarHBondContact O-CA 3.37Å; L679-G683 PolarHBondContact O-N 3.34Å
684	S	89.1	Confident	85.9	Confident	42 Å²	42	57 Å²	57	29%	0.294	30%	0.299	S	S	.	.	S	Bend	trans	-155	154.9	173.6	161.3	0	0	0	0	110	L679 A682 E686 Y687	L679-S684 VanDerWaalsContact CD1-C 3.4Å; A682-S684 VanDerWaalsContact C-N 3.26Å; A682-S684 PolarHBondContact O-N 3.31Å; S684-E686 PolarHBondContact O-N 2.93Å; S684-E686 PolarHBondContact OG-N 3.12Å; S684-Y687 PolarHBondContact O-N 3.39Å
685	E	84.3	Confident	86.1	Confident	103 Å²	103	56.6 Å²	56.6	48%	0.481	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-62.8	-25.5	176.7	-66	-161.2	137.2	0	0	112.2	R675 L679 Y687 M688	R675-E685 IonicContact CZ-OE1 3.25Å; R675-E685 IonicContact NE-OE1 2.65Å; R675-E685 PolarHBondContact NE-OE1 3.06Å; R675-E685 IonicContact NH2-OE1 3.6Å; R675-E685 PolarHBondContact NH2-OE1 3.02Å; R675-E685 IonicContact NH2-OE2 3.45Å; L679-E685 HydrophobicContact CD1-CB 4.39Å; L679-E685 HydrophobicContact CD1-CG 3.68Å; L679-E685 VanDerWaalsContact CD1-N 3.33Å; L679-E685 HydrophobicContact CD2-CG 4.32Å; E685-Y687 PolarHBondContact O-N 3.41Å; E685-M688 PolarHBondContact O-N 3.18Å; E685-M688 VanDerWaalsContact O-N 3.13Å
686	E	84.1	Confident	86.1	Confident	151 Å²	151	52.6 Å²	52.6	71%	0.706	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-67.7	-13.5	177.1	-63.7	-178.1	171.6	0	0	113.7	S684 M707	S684-E686 PolarHBondContact O-N 2.93Å; S684-E686 PolarHBondContact OG-N 3.12Å; E686-M707 WeakPolarHBondContact O-CE 3.31Å
687	Y	91	Very high	86.1	Confident	41 Å²	41	46.9 Å²	46.9	16%	0.161	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-108.9	10.9	176.9	-61.3	-91.6	0	0	0	112.3	V665 F666 V667 S684 E685 E711 K714	V665-Y687 WeakPolarHBondContact O-CB 3.34Å; F666-Y687 CarbonylContact C-O 3.58Å; F666-Y687 VanDerWaalsContact CA-O 3.29Å; F666-Y687 WeakPolarHBondContact CA-O 3.43Å; F666-Y687 AromaticContact CD1-CD1 3.7Å; F666-Y687 HydrophobicContact CD1-CD1 3.7Å; F666-Y687 HydrophobicContact CD1-CG 4.4Å; F666-Y687 AromaticContact CE1-CD1 3.39Å; F666-Y687 HydrophobicContact CE1-CD1 3.39Å; F666-Y687 AromaticContact CE1-CE1 3.97Å; F666-Y687 HydrophobicContact CE1-CE1 3.97Å; F666-Y687 HydrophobicContact CE1-CG 4.39Å; F666-Y687 HydrophobicContact CG-CD1 4.43Å; F666-Y687 AromaticContact CZ-CD1 3.92Å; F666-Y687 HydrophobicContact CZ-CD1 3.92Å; F666-Y687 HydrophobicContact CZ-CE1 4.15Å; V667-Y687 PolarHBondContact N-O 2.9Å; S684-Y687 PolarHBondContact O-N 3.39Å; E685-Y687 PolarHBondContact O-N 3.41Å; Y687-E711 VanDerWaalsContact CE1-CD 3.43Å; Y687-E711 HydrophobicContact CE1-CG 3.63Å; Y687-E711 WeakPolarHBondContact CE1-OE2 3.5Å; Y687-E711 PolarHBondContact OH-OE1 3.15Å; Y687-E711 PolarHBondContact OH-OE2 3.16Å; Y687-K714 PolarHBondContact OH-NZ 2.86Å; Y687-K714 VanDerWaalsContact OH-NZ 3.17Å
688	M	90.3	Very high	86	Confident	19 Å²	19	49.5 Å²	49.5	9%	0.094	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.6	-176.2	-173.4	-177.8	71	0	0	111	V667 R675 V678 A682 E685	V667-M688 CarbonylContact O-C 3.56Å; V667-M688 WeakPolarHBondContact O-CA 3.44Å; R675-M688 HydrophobicContact CG-CE 3.9Å; R675-M688 HydrophobicContact CG-SD 4.41Å; V678-M688 HydrophobicContact CB-SD 4.16Å; V678-M688 HydrophobicContact CG1-CG 3.91Å; V678-M688 HydrophobicContact CG1-SD 3.74Å; A682-M688 HydrophobicContact CB-CB 4.2Å; E685-M688 PolarHBondContact O-N 3.18Å; E685-M688 VanDerWaalsContact O-N 3.13Å
689	I	89.9	Confident	85.3	Confident	7 Å²	7	56.6 Å²	56.6	4%	0.036	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.2	169	-66.3	171.4	0	0	0	107.6	V667 V668 G669 F700 V703 L704 M707	V667-I689 PolarHBondContact O-N 3.12Å; V668-I689 HydrophobicContact CB-CB 4.49Å; V668-I689 HydrophobicContact CG1-CB 4.3Å; V668-I689 HydrophobicContact CG1-CG2 4.13Å; V668-I689 HydrophobicContact CG2-CB 4.24Å; V668-I689 HydrophobicContact CG2-CD1 4.23Å; G669-I689 PolarHBondContact N-O 3.37Å; I689-F700 HydrophobicContact CD1-CB 4.48Å; I689-F700 HydrophobicContact CG2-CB 3.9Å; I689-F700 HydrophobicContact CG2-CD1 3.6Å; I689-F700 HydrophobicContact CG2-CD2 4.29Å; I689-F700 HydrophobicContact CG2-CE1 4.17Å; I689-F700 HydrophobicContact CG2-CG 3.66Å; I689-V703 HydrophobicContact CD1-CG1 4.31Å; I689-L704 HydrophobicContact CD1-CB 3.77Å; I689-L704 HydrophobicContact CD1-CD1 4.13Å; I689-L704 HydrophobicContact CD1-CG 4.49Å; I689-M707 HydrophobicContact CD1-CE 4.38Å; I689-M707 HydrophobicContact CD1-SD 3.73Å; I689-M707 HydrophobicContact CG1-CE 4.08Å; I689-M707 HydrophobicContact CG1-SD 3.79Å
690	S	88.6	Confident	84.9	Confident	48 Å²	48	56.7 Å²	56.7	34%	0.336	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	104.5	174.2	-54.6	0	0	0	0	109.2	G669 M673	G669-S690 WeakPolarHBondContact O-CA 3.42Å; M673-S690 VanDerWaalsContact CE-CB 3.45Å; M673-S690 WeakPolarHBondContact CE-OG 3.33Å
691	A	87.4	Confident	84.7	Confident	2 Å²	2	53.7 Å²	53.7	2%	0.017	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.3	175.6	0	0	0	0	0	109.5	G669 I670 G671 S693 L697 F700	G669-A691 PolarHBondContact O-N 3.08Å; I670-A691 CarbonylContact C-O 3.59Å; I670-A691 WeakPolarHBondContact CA-O 3.43Å; I670-A691 HydrophobicContact CG1-CB 4.24Å; G671-A691 PolarHBondContact N-O 3.45Å; A691-S693 VanDerWaalsContact C-N 3.26Å; A691-S693 PolarHBondContact O-N 2.85Å; A691-L697 HydrophobicContact CB-CD2 4.04Å; A691-F700 HydrophobicContact CB-CD2 4.07Å; A691-F700 HydrophobicContact CB-CE2 3.85Å
692	P	83.1	Confident	83.7	Confident	94 Å²	94	58.5 Å²	58.5	61%	0.61	30%	0.303	S	S	*	.	S	Bend	trans	-64.4	-30.8	179.9	-21.4	32.3	0	0	0	113.5	G671	G671-P692 WeakPolarHBondContact CA-O 3.37Å
693	S	87.7	Confident	83	Confident	32 Å²	32	61.4 Å²	61.4	22%	0.224	32%	0.32	C	S	.	.	S	Bend	trans	-148.8	168.3	-179.3	69.8	0	0	0	0	111.3	A691 E695 D696	A691-S693 VanDerWaalsContact C-N 3.26Å; A691-S693 PolarHBondContact O-N 2.85Å; S693-E695 VanDerWaalsContact C-N 3.26Å; S693-E695 WeakPolarHBondContact CB-OE2 3.48Å; S693-E695 PolarHBondContact O-N 2.61Å; S693-E695 PolarHBondContact OG-OE2 2.89Å; S693-D696 PolarHBondContact N-OD2 3.15Å; S693-D696 PolarHBondContact O-N 2.77Å; S693-D696 PolarHBondContact OG-N 2.93Å; S693-D696 PolarHBondContact OG-OD2 2.97Å
694	Y	87.5	Confident	83	Confident	26 Å²	26	59.2 Å²	59.2	10%	0.102	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-66.6	-32	176.3	-71.4	-89.1	0	0	0	111.5	V545 N549 T552 L553 I670 D696 L697	V545-Y694 HydrophobicContact CG1-CE1 4.03Å; N549-Y694 HydrophobicContact CB-CD1 3.7Å; N549-Y694 HydrophobicContact CB-CD2 3.95Å; N549-Y694 HydrophobicContact CB-CE1 3.68Å; N549-Y694 HydrophobicContact CB-CE2 3.94Å; N549-Y694 HydrophobicContact CB-CG 3.83Å; N549-Y694 VanDerWaalsContact CG-CD2 3.48Å; T552-Y694 WeakPolarHBondContact CG2-O 3.41Å; L553-Y694 HydrophobicContact CD2-CD1 4.02Å; L553-Y694 HydrophobicContact CD2-CE1 3.97Å; L553-Y694 HydrophobicContact CG-CD1 4.48Å; L553-Y694 HydrophobicContact CG-CE1 4.28Å; I670-Y694 HydrophobicContact CB-CE1 4.37Å; I670-Y694 HydrophobicContact CD1-CD1 3.85Å; I670-Y694 HydrophobicContact CD1-CE1 3.67Å; I670-Y694 HydrophobicContact CG2-CD1 3.93Å; I670-Y694 HydrophobicContact CG2-CD2 3.76Å; I670-Y694 HydrophobicContact CG2-CE1 4.02Å; I670-Y694 HydrophobicContact CG2-CE2 3.85Å; I670-Y694 HydrophobicContact CG2-CG 3.8Å; Y694-D696 PolarHBondContact O-N 2.95Å; Y694-L697 HydrophobicContact CD1-CD1 4.39Å; Y694-L697 WeakPolarHBondContact O-CB 3.49Å; Y694-L697 WeakPolarHBondContact O-CG 3.45Å; Y694-L697 PolarHBondContact O-N 3.33Å
695	E	81	Confident	82.8	Confident	117 Å²	117	57.9 Å²	57.9	55%	0.547	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-67.8	-24	178.6	-64.1	77.8	-174.4	0	0	113.1	S693 K698	S693-E695 VanDerWaalsContact C-N 3.26Å; S693-E695 WeakPolarHBondContact CB-OE2 3.48Å; S693-E695 PolarHBondContact O-N 2.61Å; S693-E695 PolarHBondContact OG-OE2 2.89Å; E695-K698 WeakPolarHBondContact O-CD 3.43Å; E695-K698 VanDerWaalsContact O-CE 3.3Å; E695-K698 WeakPolarHBondContact O-CE 3.45Å
696	D	79.1	Confident	82.6	Confident	43 Å²	43	59.6 Å²	59.6	23%	0.23	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-82.5	-12.6	-179.9	-65.3	-42.5	0	0	0	113.3	S693 Y694 K698 Y699 F700	S693-D696 PolarHBondContact N-OD2 3.15Å; S693-D696 PolarHBondContact O-N 2.77Å; S693-D696 PolarHBondContact OG-N 2.93Å; S693-D696 PolarHBondContact OG-OD2 2.97Å; Y694-D696 PolarHBondContact O-N 2.95Å; D696-K698 PolarHBondContact O-N 2.92Å; D696-K698 VanDerWaalsContact O-N 3.08Å; D696-Y699 HydrophobicContact CB-CD2 4.12Å; D696-Y699 WeakPolarHBondContact O-CB 3.14Å; D696-Y699 VanDerWaalsContact O-CD2 3.3Å; D696-Y699 WeakPolarHBondContact O-CD2 3.4Å; D696-Y699 PolarHBondContact O-N 3.06Å; D696-F700 HydrophobicContact CB-CE2 4.24Å; D696-F700 VanDerWaalsContact O-CD2 3.27Å; D696-F700 WeakPolarHBondContact O-CD2 3.3Å
697	L	81	Confident	82.6	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.016	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-52.5	-35.7	-179.3	-77.3	173.4	0	0	0	112.9	T552 L553 F556 V668 I670 A691 Y694 Y699 F700	T552-L697 HydrophobicContact CG2-CD1 4.37Å; L553-L697 HydrophobicContact CD2-CD1 3.8Å; F556-L697 HydrophobicContact CB-CD1 4.36Å; F556-L697 HydrophobicContact CD2-CB 3.76Å; F556-L697 HydrophobicContact CE2-CB 4.21Å; F556-L697 WeakPolarHBondContact CE2-O 3.44Å; F556-L697 HydrophobicContact CG-CB 4.25Å; F556-L697 HydrophobicContact CG-CD1 4.47Å; V668-L697 HydrophobicContact CG1-CD2 3.65Å; I670-L697 HydrophobicContact CD1-CD1 3.86Å; I670-L697 HydrophobicContact CD1-CD2 4.01Å; I670-L697 HydrophobicContact CD1-CG 4.31Å; I670-L697 HydrophobicContact CG1-CD2 3.97Å; I670-L697 HydrophobicContact CG1-CG 4.46Å; A691-L697 HydrophobicContact CB-CD2 4.04Å; Y694-L697 HydrophobicContact CD1-CD1 4.39Å; Y694-L697 WeakPolarHBondContact O-CB 3.49Å; Y694-L697 WeakPolarHBondContact O-CG 3.45Å; Y694-L697 PolarHBondContact O-N 3.33Å; L697-Y699 PolarHBondContact O-N 3.2Å; L697-Y699 VanDerWaalsContact O-N 3.08Å; L697-F700 PolarHBondContact O-N 3.42Å
698	K	75.6	Confident	82.5	Confident	117 Å²	117	51.9 Å²	51.9	51%	0.509	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-56.2	-24.8	177.3	69.7	-166.8	176.6	-162.7	0	114.3	E695 D696	E695-K698 WeakPolarHBondContact O-CD 3.43Å; E695-K698 VanDerWaalsContact O-CE 3.3Å; E695-K698 WeakPolarHBondContact O-CE 3.45Å; D696-K698 PolarHBondContact O-N 2.92Å; D696-K698 VanDerWaalsContact O-N 3.08Å
699	Y	70.8	Confident	82.3	Confident	152 Å²	152	51.6 Å²	51.6	60%	0.596	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-83.1	-15.1	179.2	-58.2	-63.7	0	0	0	113.1	D696 L697	D696-Y699 HydrophobicContact CB-CD2 4.12Å; D696-Y699 WeakPolarHBondContact O-CB 3.14Å; D696-Y699 VanDerWaalsContact O-CD2 3.3Å; D696-Y699 WeakPolarHBondContact O-CD2 3.4Å; D696-Y699 PolarHBondContact O-N 3.06Å; L697-Y699 PolarHBondContact O-N 3.2Å; L697-Y699 VanDerWaalsContact O-N 3.08Å
700	F	78.1	Confident	81.9	Confident	50 Å²	50	54 Å²	54	22%	0.219	28%	0.279	C	S	.	.	S	Bend	trans	-102.6	5.3	-176	-61.2	-76.1	0	0	0	113.1	I689 A691 D696 L697 V703 L704	I689-F700 HydrophobicContact CD1-CB 4.48Å; I689-F700 HydrophobicContact CG2-CB 3.9Å; I689-F700 HydrophobicContact CG2-CD1 3.6Å; I689-F700 HydrophobicContact CG2-CD2 4.29Å; I689-F700 HydrophobicContact CG2-CE1 4.17Å; I689-F700 HydrophobicContact CG2-CG 3.66Å; A691-F700 HydrophobicContact CB-CD2 4.07Å; A691-F700 HydrophobicContact CB-CE2 3.85Å; D696-F700 HydrophobicContact CB-CE2 4.24Å; D696-F700 VanDerWaalsContact O-CD2 3.27Å; D696-F700 WeakPolarHBondContact O-CD2 3.3Å; L697-F700 PolarHBondContact O-N 3.42Å; F700-V703 PolarHBondContact O-N 2.77Å; F700-L704 WeakPolarHBondContact O-CB 3.37Å; F700-L704 PolarHBondContact O-N 3.01Å
701	E	81.1	Confident	81.6	Confident	29 Å²	29	52.8 Å²	52.8	14%	0.136	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-55	-178.3	-67.4	-179.7	-171.8	0	0	112	F556 S559 I560 V703 L704 V705	F556-E701 HydrophobicContact CD2-CG 3.9Å; F556-E701 HydrophobicContact CE2-CB 4.5Å; F556-E701 HydrophobicContact CE2-CG 3.62Å; S559-E701 WeakPolarHBondContact CB-OE1 3.25Å; S559-E701 WeakPolarHBondContact CB-OE2 3.44Å; S559-E701 PolarHBondContact OG-OE1 3.09Å; S559-E701 PolarHBondContact OG-OE2 2.84Å; I560-E701 HydrophobicContact CD1-CB 3.84Å; I560-E701 HydrophobicContact CD1-CG 4.03Å; I560-E701 WeakPolarHBondContact CD1-O 3.34Å; E701-V703 VanDerWaalsContact C-N 3.27Å; E701-V703 PolarHBondContact O-N 3.46Å; E701-L704 PolarHBondContact O-N 2.9Å; E701-V705 WeakPolarHBondContact O-CG2 3.5Å; E701-V705 PolarHBondContact O-N 2.94Å
702	D	70.2	Confident	81	Confident	105 Å²	105	53.1 Å²	53.1	56%	0.561	27%	0.27	S	S	*	.	H	α-helix	trans	-63.8	-36	179.6	-66.8	-29.3	0	0	0	111.8	V705 Q706	D702-V705 PolarHBondContact O-N 3.38Å; D702-Q706 WeakPolarHBondContact O-CB 3.13Å; D702-Q706 VanDerWaalsContact O-CG 3.28Å; D702-Q706 WeakPolarHBondContact O-CG 3.44Å; D702-Q706 PolarHBondContact O-N 3.3Å
703	V	73.9	Confident	80.6	Confident	63 Å²	63	56.4 Å²	56.4	38%	0.382	27%	0.27	S	S	.	.	H	α-helix	trans	-63	-49.9	178.6	-179.2	0	0	0	0	110.1	I689 F700 E701 V705 Q706 M707	I689-V703 HydrophobicContact CD1-CG1 4.31Å; F700-V703 PolarHBondContact O-N 2.77Å; E701-V703 VanDerWaalsContact C-N 3.27Å; E701-V703 PolarHBondContact O-N 3.46Å; V703-V705 VanDerWaalsContact C-N 3.35Å; V703-V705 PolarHBondContact O-N 2.67Å; V703-Q706 PolarHBondContact O-N 2.97Å; V703-M707 HydrophobicContact CG1-CG 4.48Å; V703-M707 HydrophobicContact CG1-SD 3.8Å; V703-M707 WeakPolarHBondContact O-CB 3.01Å; V703-M707 WeakPolarHBondContact O-CG 3.48Å; V703-M707 PolarHBondContact O-N 3.12Å
704	L	88.8	Confident	80.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-42.3	178.2	178.9	61.2	0	0	0	111.6	F556 I560 V640 F666 V668 I689 F700 E701 Q706 M707 V708	F556-L704 HydrophobicContact CE1-CD2 3.77Å; F556-L704 HydrophobicContact CZ-CD2 3.8Å; I560-L704 HydrophobicContact CD1-CB 4.32Å; I560-L704 HydrophobicContact CD1-CD2 3.99Å; I560-L704 HydrophobicContact CG1-CD2 4.08Å; I560-L704 HydrophobicContact CG2-CD2 4.49Å; V640-L704 HydrophobicContact CG1-CD1 4.21Å; V640-L704 HydrophobicContact CG1-CD2 3.85Å; V640-L704 HydrophobicContact CG2-CD1 4.21Å; V640-L704 HydrophobicContact CG2-CD2 4.49Å; F666-L704 HydrophobicContact CB-CD1 4.21Å; F666-L704 HydrophobicContact CG-CD1 4.41Å; V668-L704 HydrophobicContact CG2-CD1 4.46Å; V668-L704 HydrophobicContact CG2-CD2 4.3Å; I689-L704 HydrophobicContact CD1-CB 3.77Å; I689-L704 HydrophobicContact CD1-CD1 4.13Å; I689-L704 HydrophobicContact CD1-CG 4.49Å; F700-L704 WeakPolarHBondContact O-CB 3.37Å; F700-L704 PolarHBondContact O-N 3.01Å; E701-L704 PolarHBondContact O-N 2.9Å; L704-Q706 PolarHBondContact O-N 3.22Å; L704-M707 PolarHBondContact O-N 3.43Å; L704-V708 HydrophobicContact CD1-CG2 4.19Å; L704-V708 HydrophobicContact CG-CG2 4.49Å; L704-V708 WeakPolarHBondContact O-CG2 3.44Å; L704-V708 PolarHBondContact O-N 2.87Å
705	V	85.8	Confident	79.8	Confident	14 Å²	14	64.4 Å²	64.4	9%	0.085	31%	0.314	C	S	.	.	H	α-helix	trans	-61.4	-46.1	177.3	172.8	0	0	0	0	110.6	I560 Q563 F564 E701 D702 V703 M707 V708 C709	I560-V705 HydrophobicContact CD1-CG2 4.17Å; I560-V705 HydrophobicContact CG2-CG2 4.22Å; Q563-V705 HydrophobicContact CB-CG1 4.3Å; Q563-V705 HydrophobicContact CB-CG2 3.81Å; Q563-V705 HydrophobicContact CG-CG2 3.95Å; F564-V705 HydrophobicContact CE2-CG2 4.36Å; E701-V705 WeakPolarHBondContact O-CG2 3.5Å; E701-V705 PolarHBondContact O-N 2.94Å; D702-V705 PolarHBondContact O-N 3.38Å; V703-V705 VanDerWaalsContact C-N 3.35Å; V703-V705 PolarHBondContact O-N 2.67Å; V705-M707 VanDerWaalsContact C-N 3.35Å; V705-M707 PolarHBondContact O-N 3.41Å; V705-V708 PolarHBondContact O-N 3.27Å; V705-C709 WeakPolarHBondContact O-CB 3.02Å; V705-C709 PolarHBondContact O-N 3.14Å; V705-C709 PolarHBondContact O-SG 3.33Å
706	Q	79.1	Confident	79.7	Confident	139 Å²	139	62.1 Å²	62.1	65%	0.65	31%	0.308	S	S	*	.	H	α-helix	trans	-61.3	-42.9	177.2	-74.8	178.6	3.6	0	0	112.3	D702 V703 L704 C709 S710	D702-Q706 WeakPolarHBondContact O-CB 3.13Å; D702-Q706 VanDerWaalsContact O-CG 3.28Å; D702-Q706 WeakPolarHBondContact O-CG 3.44Å; D702-Q706 PolarHBondContact O-N 3.3Å; V703-Q706 PolarHBondContact O-N 2.97Å; L704-Q706 PolarHBondContact O-N 3.22Å; Q706-C709 PolarHBondContact O-N 3.16Å; Q706-S710 PolarHBondContact O-N 3.37Å; Q706-S710 PolarHBondContact O-OG 2.96Å
707	M	84.6	Confident	79.7	Confident	28 Å²	28	63.1 Å²	63.1	14%	0.138	31%	0.314	C	S	.	.	H	α-helix	trans	-61.3	-44	175.5	-72.6	166.8	70.3	0	0	112.1	F666 E686 I689 V703 L704 V705 S710 E711	F666-M707 HydrophobicContact CD1-CB 4.16Å; F666-M707 HydrophobicContact CD1-CE 3.84Å; F666-M707 HydrophobicContact CE1-CB 3.73Å; F666-M707 HydrophobicContact CE1-CE 4.3Å; F666-M707 WeakPolarHBondContact CZ-O 3.42Å; E686-M707 WeakPolarHBondContact O-CE 3.31Å; I689-M707 HydrophobicContact CD1-CE 4.38Å; I689-M707 HydrophobicContact CD1-SD 3.73Å; I689-M707 HydrophobicContact CG1-CE 4.08Å; I689-M707 HydrophobicContact CG1-SD 3.79Å; V703-M707 HydrophobicContact CG1-CG 4.48Å; V703-M707 HydrophobicContact CG1-SD 3.8Å; V703-M707 WeakPolarHBondContact O-CB 3.01Å; V703-M707 WeakPolarHBondContact O-CG 3.48Å; V703-M707 PolarHBondContact O-N 3.12Å; L704-M707 PolarHBondContact O-N 3.43Å; V705-M707 VanDerWaalsContact C-N 3.35Å; V705-M707 PolarHBondContact O-N 3.41Å; M707-S710 PolarHBondContact O-OG 3.1Å; M707-E711 WeakPolarHBondContact O-CG 3.48Å
708	V	89.9	Confident	79.8	Confident	1 Å²	1	65 Å²	65	1%	0.006	32%	0.323	C	S	.	.	H	α-helix	trans	-64.9	-44	175.3	173	0	0	0	0	110.3	L535 F564 A638 V640 F666 L704 V705 S710 E711 V712	L535-V708 HydrophobicContact CD1-CG1 4.37Å; L535-V708 HydrophobicContact CD1-CG2 4.47Å; F564-V708 HydrophobicContact CE1-CG1 3.99Å; F564-V708 HydrophobicContact CZ-CB 4.21Å; F564-V708 HydrophobicContact CZ-CG1 3.8Å; A638-V708 HydrophobicContact CB-CG1 4.23Å; V640-V708 HydrophobicContact CG2-CG2 4.45Å; F666-V708 HydrophobicContact CD2-CG2 4.06Å; F666-V708 HydrophobicContact CE2-CB 4.47Å; F666-V708 HydrophobicContact CE2-CG2 3.79Å; F666-V708 HydrophobicContact CZ-CB 4.46Å; F666-V708 HydrophobicContact CZ-CG2 4.06Å; L704-V708 HydrophobicContact CD1-CG2 4.19Å; L704-V708 HydrophobicContact CG-CG2 4.49Å; L704-V708 WeakPolarHBondContact O-CG2 3.44Å; L704-V708 PolarHBondContact O-N 2.87Å; V705-V708 PolarHBondContact O-N 3.27Å; V708-S710 PolarHBondContact O-N 3.33Å; V708-E711 PolarHBondContact O-N 2.96Å; V708-V712 HydrophobicContact CG1-CG2 4.26Å; V708-V712 VanDerWaalsContact O-CG2 3.23Å; V708-V712 WeakPolarHBondContact O-CG2 3.37Å; V708-V712 PolarHBondContact O-N 3.12Å; V708-V712 VanDerWaalsContact O-N 3.11Å
709	C	84.8	Confident	80.2	Confident	13 Å²	13	60.4 Å²	60.4	9%	0.088	31%	0.306	C	S	.	.	H	α-helix	trans	-69.8	-31.9	-176.4	-64.9	0	0	0	0	113.7	C528 V705 Q706 E711 R713	C528-C709 PolarHBondContact N-SG 2.91Å; C528-C709 VanDerWaalsContact SG-CA 3.56Å; C528-C709 PolarHBondContact SG-SG 3.21Å; V705-C709 WeakPolarHBondContact O-CB 3.02Å; V705-C709 PolarHBondContact O-N 3.14Å; V705-C709 PolarHBondContact O-SG 3.33Å; Q706-C709 PolarHBondContact O-N 3.16Å; C709-E711 VanDerWaalsContact C-N 3.29Å; C709-R713 WeakPolarHBondContact O-CG 3.5Å
710	S	81.6	Confident	80.7	Confident	59 Å²	59	58.1 Å²	58.1	41%	0.413	30%	0.299	S	S	.	.	H	α-helix	trans	-65.9	-35.4	174.8	61.7	0	0	0	0	111.6	Q706 M707 V708	Q706-S710 PolarHBondContact O-N 3.37Å; Q706-S710 PolarHBondContact O-OG 2.96Å; M707-S710 PolarHBondContact O-OG 3.1Å; V708-S710 PolarHBondContact O-N 3.33Å
711	E	81.6	Confident	80.7	Confident	22 Å²	22	56.8 Å²	56.8	10%	0.103	30%	0.295	C	S	.	.	H	α-helix	trans	-74.7	-37.2	178.7	-67	-59.3	114.6	0	0	113	F666 Y687 M707 V708 C709 R713 K714	F666-E711 HydrophobicContact CE1-CG 4.23Å; F666-E711 HydrophobicContact CZ-CB 4.18Å; F666-E711 HydrophobicContact CZ-CG 3.63Å; Y687-E711 VanDerWaalsContact CE1-CD 3.43Å; Y687-E711 HydrophobicContact CE1-CG 3.63Å; Y687-E711 WeakPolarHBondContact CE1-OE2 3.5Å; Y687-E711 PolarHBondContact OH-OE1 3.15Å; Y687-E711 PolarHBondContact OH-OE2 3.16Å; M707-E711 WeakPolarHBondContact O-CG 3.48Å; V708-E711 PolarHBondContact O-N 2.96Å; C709-E711 VanDerWaalsContact C-N 3.29Å; E711-R713 PolarHBondContact O-N 2.98Å; E711-R713 VanDerWaalsContact O-N 3.14Å; E711-K714 VanDerWaalsContact O-CB 3.31Å; E711-K714 WeakPolarHBondContact O-CB 3.24Å; E711-K714 WeakPolarHBondContact O-CG 3.38Å; E711-K714 PolarHBondContact O-N 2.78Å; E711-K714 WeakPolarHBondContact OE1-CE 3.32Å; E711-K714 IonicContact OE1-NZ 3.85Å; E711-K714 PolarHBondContact OE1-NZ 3.5Å; E711-K714 VanDerWaalsContact OE2-CE 3.32Å; E711-K714 WeakPolarHBondContact OE2-CE 3.39Å; E711-K714 IonicContact OE2-NZ 3.62Å; E711-K714 PolarHBondContact OE2-NZ 3.37Å
712	V	75.9	Confident	80.8	Confident	8 Å²	8	59.2 Å²	59.2	5%	0.048	31%	0.309	C	S	.	.	H	α-helix	trans	-66.5	-15.4	179.7	175.4	0	0	0	0	112.2	C528 Q531 V533 N636 V708 K714	C528-V712 HydrophobicContact CB-CB 4.15Å; C528-V712 HydrophobicContact CB-CG1 3.75Å; C528-V712 VanDerWaalsContact SG-CB 3.53Å; Q531-V712 HydrophobicContact CB-CG1 3.67Å; Q531-V712 PolarHBondContact OE1-O 3.36Å; V533-V712 HydrophobicContact CB-CG1 4.08Å; V533-V712 HydrophobicContact CB-CG2 3.78Å; V533-V712 HydrophobicContact CG2-CG2 3.48Å; V533-V712 VanDerWaalsContact CG2-CG2 3.48Å; N636-V712 HydrophobicContact CB-CB 4.39Å; N636-V712 HydrophobicContact CB-CG1 4.3Å; N636-V712 HydrophobicContact CB-CG2 4.19Å; N636-V712 VanDerWaalsContact ND2-C 3.35Å; N636-V712 PolarHBondContact ND2-O 2.65Å; V708-V712 HydrophobicContact CG1-CG2 4.26Å; V708-V712 VanDerWaalsContact O-CG2 3.23Å; V708-V712 WeakPolarHBondContact O-CG2 3.37Å; V708-V712 PolarHBondContact O-N 3.12Å; V708-V712 VanDerWaalsContact O-N 3.11Å; V712-K714 VanDerWaalsContact C-N 3.3Å; V712-K714 PolarHBondContact O-N 3.36Å
713	R	75.5	Confident	81.6	Confident	164 Å²	164	54.5 Å²	54.5	62%	0.619	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-12.7	172	-68	175	178	-169	0.7	114	C709 E711	C709-R713 WeakPolarHBondContact O-CG 3.5Å; E711-R713 PolarHBondContact O-N 2.98Å; E711-R713 VanDerWaalsContact O-N 3.14Å
714	K	79.4	Confident	82.1	Confident	96 Å²	96	52 Å²	52	42%	0.417	27%	0.27	S	S	.	.	S	Bend	trans	-72	145.4	-177.7	-66.9	-179	-179.1	172.2	0	110.8	N636 Y687 E711 V712 V716	N636-K714 PolarHBondContact ND2-O 2.76Å; Y687-K714 PolarHBondContact OH-NZ 2.86Å; Y687-K714 VanDerWaalsContact OH-NZ 3.17Å; E711-K714 VanDerWaalsContact O-CB 3.31Å; E711-K714 WeakPolarHBondContact O-CB 3.24Å; E711-K714 WeakPolarHBondContact O-CG 3.38Å; E711-K714 PolarHBondContact O-N 2.78Å; E711-K714 WeakPolarHBondContact OE1-CE 3.32Å; E711-K714 IonicContact OE1-NZ 3.85Å; E711-K714 PolarHBondContact OE1-NZ 3.5Å; E711-K714 VanDerWaalsContact OE2-CE 3.32Å; E711-K714 WeakPolarHBondContact OE2-CE 3.39Å; E711-K714 IonicContact OE2-NZ 3.62Å; E711-K714 PolarHBondContact OE2-NZ 3.37Å; V712-K714 VanDerWaalsContact C-N 3.3Å; V712-K714 PolarHBondContact O-N 3.36Å; K714-V716 PolarHBondContact O-N 2.82Å
715	P	78.5	Confident	81.8	Confident	129 Å²	129	54.6 Å²	54.6	84%	0.838	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-58.9	129.4	179.5	23.3	-32.9	0	0	0	111
716	V	78.4	Confident	81.7	Confident	70 Å²	70	58.7 Å²	58.7	42%	0.424	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-77.5	141.1	-176.5	-65.1	0	0	0	0	111.2	G634 N636 K714	G634-V716 WeakPolarHBondContact O-CB 3.01Å; G634-V716 VanDerWaalsContact O-CG1 3.29Å; G634-V716 WeakPolarHBondContact O-CG1 3.43Å; G634-V716 WeakPolarHBondContact O-CG2 3.28Å; N636-V716 WeakPolarHBondContact OD1-CG1 3.01Å; K714-V716 PolarHBondContact O-N 2.82Å
717	N	80.2	Confident	81.8	Confident	64 Å²	64	59.8 Å²	59.8	34%	0.342	31%	0.311	S	S	.	.			trans	-106.1	115	169.7	-179.4	-31.9	0	0	0	109.1	C719 K720	N717-C719 PolarHBondContact O-N 3.5Å; N717-C719 WeakPolarHBondContact OD1-CA 3.31Å; N717-C719 PolarHBondContact OD1-N 3.05Å; N717-K720 HydrophobicContact CB-CB 3.98Å; N717-K720 HydrophobicContact CB-CG 4.4Å; N717-K720 PolarHBondContact O-N 3.34Å; N717-K720 VanDerWaalsContact O-O 3.1Å
718	L	82.8	Confident	81.8	Confident	42 Å²	42	58.5 Å²	58.5	22%	0.22	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.9	-176.7	-60	175.1	0	0	0	113.8	P723 L732 F737	L718-P723 WeakPolarHBondContact O-CG 3.31Å; L718-L732 HydrophobicContact CB-CD2 3.84Å; L718-F737 HydrophobicContact CB-CB 4.13Å; L718-F737 HydrophobicContact CB-CD1 3.91Å; L718-F737 HydrophobicContact CB-CG 4.38Å
719	C	83.4	Confident	81.8	Confident	20 Å²	20	62.8 Å²	62.8	14%	0.135	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	8.1	178.9	-72.4	0	0	0	0	114	N717 P721 N722 C730 L732	N717-C719 PolarHBondContact O-N 3.5Å; N717-C719 WeakPolarHBondContact OD1-CA 3.31Å; N717-C719 PolarHBondContact OD1-N 3.05Å; C719-P721 CarbonylContact C-O 3.15Å; C719-P721 CarbonylContact O-C 3.6Å; C719-N722 WeakPolarHBondContact O-CA 3.35Å; C719-N722 PolarHBondContact O-N 3.2Å; C719-C730 WeakPolarHBondContact CA-SG 3.33Å; C719-C730 HydrophobicContact CB-CB 3.6Å; C719-C730 WeakPolarHBondContact CB-SG 3.44Å; C719-C730 VanDerWaalsContact SG-C 3.53Å; C719-C730 WeakPolarHBondContact SG-CB 3.43Å; C719-C730 CovalentContact SG-SG 2.03Å; C719-C730 PolarHBondContact SG-SG 3.29Å; C719-L732 HydrophobicContact CB-CD2 4.2Å; C719-L732 HydrophobicContact CB-CG 4.43Å; C719-L732 VanDerWaalsContact SG-CD2 3.59Å
720	K	81.6	Confident	82	Confident	105 Å²	105	63.2 Å²	63.2	46%	0.457	33%	0.33	S	S	.	.	S	Bend	trans	-133.2	112.6	-178.2	-74.2	-162.4	174	-154.1	0	110.7	D660 S661 N717	D660-K720 PolarHBondContact O-NZ 2.83Å; D660-K720 VanDerWaalsContact O-NZ 3.12Å; S661-K720 CarbonylContact O-C 3.55Å; S661-K720 WeakPolarHBondContact O-CA 3.49Å; S661-K720 VanDerWaalsContact O-CB 3.27Å; S661-K720 WeakPolarHBondContact O-CB 3.42Å; N717-K720 HydrophobicContact CB-CB 3.98Å; N717-K720 HydrophobicContact CB-CG 4.4Å; N717-K720 PolarHBondContact O-N 3.34Å; N717-K720 VanDerWaalsContact O-O 3.1Å
721	P	78.7	Confident	82.3	Confident	22 Å²	22	62.5 Å²	62.5	14%	0.143	32%	0.323	C	S	.	.	S	Bend	cis	-65.7	158.8	-5.9	28.7	-34.9	0	0	0	111	K637 S661 V663 C719 P723	K637-P721 VanDerWaalsContact CD-CD 3.45Å; K637-P721 HydrophobicContact CD-CG 3.47Å; K637-P721 VanDerWaalsContact CD-CG 3.47Å; S661-P721 VanDerWaalsContact O-CA 3.31Å; S661-P721 WeakPolarHBondContact O-CA 3.39Å; V663-P721 HydrophobicContact CG2-CG 4.32Å; C719-P721 CarbonylContact C-O 3.15Å; C719-P721 CarbonylContact O-C 3.6Å; P721-P723 WeakPolarHBondContact O-CD 3.43Å; P721-P723 VanDerWaalsContact O-N 3.09Å
722	N	83.1	Confident	82.5	Confident	79 Å²	79	66 Å²	66	42%	0.422	34%	0.341	S	S	.	.			trans	-59.4	114.5	-175.6	-176.3	-2.9	0	0	0	110.4	C719 C724 G728 C730	C719-N722 WeakPolarHBondContact O-CA 3.35Å; C719-N722 PolarHBondContact O-N 3.2Å; N722-C724 PolarHBondContact O-N 2.02Å; N722-C724 VanDerWaalsContact OD1-CB 3.22Å; N722-C724 WeakPolarHBondContact OD1-CB 3.3Å; N722-C724 PolarHBondContact OD1-N 3Å; N722-C724 PolarHBondContact OD1-SG 3.5Å; N722-C724 VanDerWaalsContact OD1-SG 3.34Å; N722-G728 PolarHBondContact ND2-O 2.81Å; N722-C730 VanDerWaalsContact OD1-CB 3.29Å; N722-C730 WeakPolarHBondContact OD1-CB 3.39Å
723	P	85.3	Confident	82.7	Confident	6 Å²	6	68.2 Å²	68.2	4%	0.039	36%	0.357	C	S	.	.			trans	-75.5	-6.5	-179.2	32.8	-38.3	0	0	0	113.2	V627 P633 L718 P721 C730 F737	V627-P723 HydrophobicContact CG2-CB 4.49Å; P633-P723 HydrophobicContact CB-CB 4.19Å; P633-P723 HydrophobicContact CG-CB 4.12Å; L718-P723 WeakPolarHBondContact O-CG 3.31Å; P721-P723 WeakPolarHBondContact O-CD 3.43Å; P721-P723 VanDerWaalsContact O-N 3.09Å; P723-C730 HydrophobicContact CG-CB 4.42Å; P723-F737 HydrophobicContact CB-CD2 4.41Å; P723-F737 HydrophobicContact CB-CE1 4.43Å; P723-F737 HydrophobicContact CB-CE2 3.58Å; P723-F737 HydrophobicContact CB-CZ 3.55Å; P723-F737 HydrophobicContact CG-CD1 4.48Å; P723-F737 HydrophobicContact CG-CD2 3.47Å; P723-F737 VanDerWaalsContact CG-CD2 3.47Å; P723-F737 HydrophobicContact CG-CE1 4.19Å; P723-F737 HydrophobicContact CG-CE2 3.12Å; P723-F737 HydrophobicContact CG-CG 4.14Å; P723-F737 HydrophobicContact CG-CZ 3.49Å; P723-F737 VanDerWaalsContact CG-CZ 3.49Å
724	C	86.3	Confident	82.8	Confident	12 Å²	12	64.2 Å²	64.2	8%	0.081	37%	0.367	C	S	.	.			trans	-87.7	128.3	-179	-49.3	0	0	0	0	110.9	N722 G728 C730 C739	N722-C724 PolarHBondContact O-N 2.02Å; N722-C724 VanDerWaalsContact OD1-CB 3.22Å; N722-C724 WeakPolarHBondContact OD1-CB 3.3Å; N722-C724 PolarHBondContact OD1-N 3Å; N722-C724 PolarHBondContact OD1-SG 3.5Å; N722-C724 VanDerWaalsContact OD1-SG 3.34Å; C724-G728 VanDerWaalsContact CB-O 3.31Å; C724-G728 WeakPolarHBondContact CB-O 3.14Å; C724-C730 VanDerWaalsContact SG-CA 3.57Å; C724-C739 WeakPolarHBondContact CA-SG 3.46Å; C724-C739 HydrophobicContact CB-CB 3.68Å; C724-C739 WeakPolarHBondContact CB-SG 3.41Å; C724-C739 WeakPolarHBondContact SG-CA 3.34Å; C724-C739 WeakPolarHBondContact SG-CB 3.37Å; C724-C739 CovalentContact SG-SG 2.02Å; C724-C739 PolarHBondContact SG-SG 2.98Å
725	M	82.4	Confident	82.5	Confident	54 Å²	54	64.7 Å²	64.7	27%	0.266	39%	0.389	S	S	.	.	S	Bend	trans	-78.9	166.6	176.8	-58.3	-174.8	177.2	0	0	111.5	V627 A628 D727 G728 H748 C749 E750	V627-M725 HydrophobicContact CB-CE 4.12Å; A628-M725 HydrophobicContact CB-CE 3.85Å; M725-D727 PolarHBondContact O-N 3.43Å; M725-G728 PolarHBondContact O-N 3.01Å; M725-H748 WeakPolarHBondContact CB-O 3.2Å; M725-H748 PolarHBondContact N-O 3.39Å; M725-C749 VanDerWaalsContact O-CB 3.31Å; M725-C749 WeakPolarHBondContact O-CB 3.42Å; M725-E750 HydrophobicContact SD-CB 4Å
726	H	83.6	Confident	82.4	Confident	100 Å²	100	61.5 Å²	61.5	46%	0.463	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	48.4	172.9	-52	102.7	0	0	0	114.1	G728 Y744 C749	H726-G728 PolarHBondContact O-N 2.67Å; H726-G728 VanDerWaalsContact O-N 3.12Å; H726-Y744 HydrophobicContact CB-CD1 4.2Å; H726-Y744 HydrophobicContact CB-CD2 3.73Å; H726-Y744 HydrophobicContact CB-CE1 4.12Å; H726-Y744 HydrophobicContact CB-CE2 3.64Å; H726-Y744 HydrophobicContact CB-CG 4.03Å; H726-Y744 AromaticContact CD2-CE1 3.51Å; H726-Y744 AromaticContact CD2-CZ 3.37Å; H726-Y744 PolarHBondContact CD2-OH 3.3Å; H726-Y744 VanDerWaalsContact CD2-OH 3.27Å; H726-Y744 AromaticContact CE1-CD1 3.76Å; H726-Y744 AromaticContact CE1-CE1 3.35Å; H726-Y744 WeakPolarHBondContact CE1-CE1 3.28Å; H726-Y744 AromaticContact CG-CD1 3.75Å; H726-Y744 AromaticContact CG-CE1 3.41Å; H726-Y744 VanDerWaalsContact CG-CE1 3.41Å; H726-Y744 AromaticContact CG-CE2 3.81Å; H726-Y744 AromaticContact CG-CZ 3.44Å; H726-Y744 VanDerWaalsContact CG-CZ 3.44Å; H726-Y744 AromaticContact ND1-CD1 3.38Å; H726-Y744 WeakPolarHBondContact ND1-CD1 3.49Å; H726-Y744 AromaticContact ND1-CE1 3.31Å; H726-Y744 VanDerWaalsContact ND1-CE1 3.31Å; H726-Y744 WeakPolarHBondContact ND1-CE1 3.41Å; H726-Y744 AromaticContact ND1-CZ 3.87Å; H726-Y744 AromaticContact NE2-CE1 3.47Å; H726-Y744 WeakPolarHBondContact NE2-CE1 3.38Å; H726-Y744 AromaticContact NE2-CZ 3.77Å; H726-C749 PolarHBondContact ND1-O 2.88Å
727	D	79.9	Confident	82.8	Confident	161 Å²	161	60.2 Å²	60.2	86%	0.861	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	22.6	-179.3	-55.8	-50.9	0	0	0	114.6	M725	M725-D727 PolarHBondContact O-N 3.43Å
728	G	85.8	Confident	83.2	Confident	2 Å²	2	64.8 Å²	64.8	2%	0.021	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-60.8	142.2	172.3	0	0	0	0	0	112.1	N722 C724 M725 H726	N722-G728 PolarHBondContact ND2-O 2.81Å; C724-G728 VanDerWaalsContact CB-O 3.31Å; C724-G728 WeakPolarHBondContact CB-O 3.14Å; M725-G728 PolarHBondContact O-N 3.01Å; H726-G728 PolarHBondContact O-N 2.67Å; H726-G728 VanDerWaalsContact O-N 3.12Å
729	I	88.8	Confident	83.5	Confident	90 Å²	90	63.9 Å²	63.9	46%	0.462	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	120.5	-179.1	-57.6	171.6	0	0	0	109	V731 Q740	I729-V731 HydrophobicContact CG2-CG2 4.29Å; I729-Q740 HydrophobicContact CB-CB 4.32Å; I729-Q740 PolarHBondContact N-O 3.01Å; I729-Q740 PolarHBondContact O-N 3.12Å
730	C	88.4	Confident	84	Confident	23 Å²	23	68.3 Å²	68.3	16%	0.155	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	126	173.3	-170.5	0	0	0	0	111.2	C719 N722 P723 C724	C719-C730 WeakPolarHBondContact CA-SG 3.33Å; C719-C730 HydrophobicContact CB-CB 3.6Å; C719-C730 WeakPolarHBondContact CB-SG 3.44Å; C719-C730 VanDerWaalsContact SG-C 3.53Å; C719-C730 WeakPolarHBondContact SG-CB 3.43Å; C719-C730 CovalentContact SG-SG 2.03Å; C719-C730 PolarHBondContact SG-SG 3.29Å; N722-C730 VanDerWaalsContact OD1-CB 3.29Å; N722-C730 WeakPolarHBondContact OD1-CB 3.39Å; P723-C730 HydrophobicContact CG-CB 4.42Å; C724-C730 VanDerWaalsContact SG-CA 3.57Å
731	V	88.7	Confident	84.3	Confident	43 Å²	43	64.9 Å²	64.9	26%	0.261	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.3	177.2	-175.2	0	0	0	0	108.7	I729 F737 R738	I729-V731 HydrophobicContact CG2-CG2 4.29Å; V731-F737 WeakPolarHBondContact O-CA 3.47Å; V731-R738 HydrophobicContact CB-CG 4.07Å; V731-R738 PolarHBondContact N-O 3.37Å; V731-R738 PolarHBondContact O-N 3.29Å
732	L	86.2	Confident	84.6	Confident	95 Å²	95	71 Å²	71	50%	0.497	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	133.1	173.1	-66.3	173.3	0	0	0	109.8	L718 C719	L718-L732 HydrophobicContact CB-CD2 3.84Å; C719-L732 HydrophobicContact CB-CD2 4.2Å; C719-L732 HydrophobicContact CB-CG 4.43Å; C719-L732 VanDerWaalsContact SG-CD2 3.59Å
733	S	80.2	Confident	84.8	Confident	55 Å²	55	72.9 Å²	72.9	39%	0.385	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	85.4	-178.8	179.7	0	0	0	0	109.2	A735 S736	S733-A735 PolarHBondContact O-N 2.94Å; S733-S736 CarbonylContact C-O 3.56Å; S733-S736 WeakPolarHBondContact CA-O 3.35Å; S733-S736 PolarHBondContact N-O 2.8Å; S733-S736 PolarHBondContact O-N 2.87Å; S733-S736 VanDerWaalsContact O-N 3.13Å; S733-S736 VanDerWaalsContact O-O 3.1Å; S733-S736 PolarHBondContact O-OG 2.99Å
734	G	77.9	Confident	84.9	Confident	80 Å²	80	75.9 Å²	75.9	83%	0.825	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	-126	-175	0	0	0	0	0	111.6	S736	G734-S736 VanDerWaalsContact C-N 3.25Å; G734-S736 PolarHBondContact O-N 2.96Å
735	A	72.2	Confident	84.8	Confident	106 Å²	106	80.1 Å²	80.1	88%	0.876	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	12.8	175.4	0	0	0	0	0	114	S733	S733-A735 PolarHBondContact O-N 2.94Å
736	S	77.6	Confident	84.7	Confident	63 Å²	63	78.7 Å²	78.7	44%	0.441	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	172.9	177.9	67.7	0	0	0	0	111.1	S733 G734	S733-S736 CarbonylContact C-O 3.56Å; S733-S736 WeakPolarHBondContact CA-O 3.35Å; S733-S736 PolarHBondContact N-O 2.8Å; S733-S736 PolarHBondContact O-N 2.87Å; S733-S736 VanDerWaalsContact O-N 3.13Å; S733-S736 VanDerWaalsContact O-O 3.1Å; S733-S736 PolarHBondContact O-OG 2.99Å; G734-S736 VanDerWaalsContact C-N 3.25Å; G734-S736 PolarHBondContact O-N 2.96Å
737	F	86.5	Confident	84.5	Confident	43 Å²	43	78 Å²	78	19%	0.189	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	161	170.1	72.2	-85.3	0	0	0	111	P633 L718 P723 V731 H748	P633-F737 HydrophobicContact CB-CE1 3.67Å; P633-F737 HydrophobicContact CB-CZ 3.89Å; P633-F737 HydrophobicContact CG-CE1 4.37Å; P633-F737 HydrophobicContact CG-CZ 4.16Å; L718-F737 HydrophobicContact CB-CB 4.13Å; L718-F737 HydrophobicContact CB-CD1 3.91Å; L718-F737 HydrophobicContact CB-CG 4.38Å; P723-F737 HydrophobicContact CB-CD2 4.41Å; P723-F737 HydrophobicContact CB-CE1 4.43Å; P723-F737 HydrophobicContact CB-CE2 3.58Å; P723-F737 HydrophobicContact CB-CZ 3.55Å; P723-F737 HydrophobicContact CG-CD1 4.48Å; P723-F737 HydrophobicContact CG-CD2 3.47Å; P723-F737 VanDerWaalsContact CG-CD2 3.47Å; P723-F737 HydrophobicContact CG-CE1 4.19Å; P723-F737 HydrophobicContact CG-CE2 3.12Å; P723-F737 HydrophobicContact CG-CG 4.14Å; P723-F737 HydrophobicContact CG-CZ 3.49Å; P723-F737 VanDerWaalsContact CG-CZ 3.49Å; V731-F737 WeakPolarHBondContact O-CA 3.47Å; F737-H748 AromaticContact CE2-CE1 3.64Å; F737-H748 AromaticContact CE2-ND1 3.59Å; F737-H748 AromaticContact CZ-CE1 3.35Å; F737-H748 WeakPolarHBondContact CZ-CE1 3.02Å; F737-H748 AromaticContact CZ-ND1 3.71Å
738	R	88.6	Confident	84.7	Confident	160 Å²	160	72.8 Å²	72.8	60%	0.604	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	145.7	169.4	67.9	-178.5	-175.6	-164.7	0.3	110.4	V731	V731-R738 HydrophobicContact CB-CG 4.07Å; V731-R738 PolarHBondContact N-O 3.37Å; V731-R738 PolarHBondContact O-N 3.29Å
739	C	89.3	Confident	84.8	Confident	22 Å²	22	72.8 Å²	72.8	15%	0.149	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.9	174.5	-66.5	0	0	0	0	110.9	C724 P747	C724-C739 WeakPolarHBondContact CA-SG 3.46Å; C724-C739 HydrophobicContact CB-CB 3.68Å; C724-C739 WeakPolarHBondContact CB-SG 3.41Å; C724-C739 WeakPolarHBondContact SG-CA 3.34Å; C724-C739 WeakPolarHBondContact SG-CB 3.37Å; C724-C739 CovalentContact SG-SG 2.02Å; C724-C739 PolarHBondContact SG-SG 2.98Å; C739-P747 WeakPolarHBondContact CB-O 3.43Å; C739-P747 PolarHBondContact SG-O 2.98Å; C739-P747 VanDerWaalsContact SG-O 3.37Å
740	Q	92.1	Very high	84.5	Confident	113 Å²	113	71.7 Å²	71.7	53%	0.528	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	105.9	168.8	-175.2	173.7	2.3	0	0	108.6	I729	I729-Q740 HydrophobicContact CB-CB 4.32Å; I729-Q740 PolarHBondContact N-O 3.01Å; I729-Q740 PolarHBondContact O-N 3.12Å
741	C	88.2	Confident	84.3	Confident	33 Å²	33	77.3 Å²	77.3	22%	0.223	43%	0.426	C	S	.	.			trans	-97.5	142.4	-176.3	-47.2	0	0	0	0	110.5	Y744 C749	C741-Y744 WeakPolarHBondContact CB-O 3.29Å; C741-C749 WeakPolarHBondContact CA-SG 3.47Å; C741-C749 HydrophobicContact CB-CB 3.74Å; C741-C749 WeakPolarHBondContact CB-SG 3.47Å; C741-C749 WeakPolarHBondContact SG-CA 3.32Å; C741-C749 WeakPolarHBondContact SG-CB 3.38Å; C741-C749 PolarHBondContact SG-N 3.45Å; C741-C749 CovalentContact SG-SG 2.02Å; C741-C749 PolarHBondContact SG-SG 3.45Å
742	H	85.6	Confident	83.9	Confident	152 Å²	152	84.8 Å²	84.8	70%	0.704	45%	0.45	S	S	*	.	S	Bend	trans	-86.9	-89.3	173.5	-87.3	58.4	0	0	0	110.8	Y744	H742-Y744 PolarHBondContact O-N 2.73Å
743	D	87.2	Confident	83.2	Confident	118 Å²	118	82 Å²	82	63%	0.631	44%	0.438	S	S	*	.	S	Bend	trans	-87.7	17.2	179.8	-65.4	-40.4	0	0	0	112.9	R752 S753	D743-R752 CarbonylContact O-C 3.41Å; D743-R752 WeakPolarHBondContact O-CA 3.19Å; D743-R752 WeakPolarHBondContact O-CG 3.41Å; D743-S753 VanDerWaalsContact C-OG 3.22Å; D743-S753 PolarHBondContact O-N 3.48Å; D743-S753 PolarHBondContact O-OG 3Å
744	Y	87.1	Confident	82.3	Confident	69 Å²	69	82.7 Å²	82.7	27%	0.271	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	159.2	-178	-69.8	-101.1	0	0	0	111	H726 C741 H742 C749 R751 R752 S753	H726-Y744 HydrophobicContact CB-CD1 4.2Å; H726-Y744 HydrophobicContact CB-CD2 3.73Å; H726-Y744 HydrophobicContact CB-CE1 4.12Å; H726-Y744 HydrophobicContact CB-CE2 3.64Å; H726-Y744 HydrophobicContact CB-CG 4.03Å; H726-Y744 AromaticContact CD2-CE1 3.51Å; H726-Y744 AromaticContact CD2-CZ 3.37Å; H726-Y744 PolarHBondContact CD2-OH 3.3Å; H726-Y744 VanDerWaalsContact CD2-OH 3.27Å; H726-Y744 AromaticContact CE1-CD1 3.76Å; H726-Y744 AromaticContact CE1-CE1 3.35Å; H726-Y744 WeakPolarHBondContact CE1-CE1 3.28Å; H726-Y744 AromaticContact CG-CD1 3.75Å; H726-Y744 AromaticContact CG-CE1 3.41Å; H726-Y744 VanDerWaalsContact CG-CE1 3.41Å; H726-Y744 AromaticContact CG-CE2 3.81Å; H726-Y744 AromaticContact CG-CZ 3.44Å; H726-Y744 VanDerWaalsContact CG-CZ 3.44Å; H726-Y744 AromaticContact ND1-CD1 3.38Å; H726-Y744 WeakPolarHBondContact ND1-CD1 3.49Å; H726-Y744 AromaticContact ND1-CE1 3.31Å; H726-Y744 VanDerWaalsContact ND1-CE1 3.31Å; H726-Y744 WeakPolarHBondContact ND1-CE1 3.41Å; H726-Y744 AromaticContact ND1-CZ 3.87Å; H726-Y744 AromaticContact NE2-CE1 3.47Å; H726-Y744 WeakPolarHBondContact NE2-CE1 3.38Å; H726-Y744 AromaticContact NE2-CZ 3.77Å; C741-Y744 WeakPolarHBondContact CB-O 3.29Å; H742-Y744 PolarHBondContact O-N 2.73Å; Y744-C749 WeakPolarHBondContact CD1-O 3.32Å; Y744-R751 CarbonylContact C-O 3.57Å; Y744-R751 VanDerWaalsContact C-O 3.3Å; Y744-R751 WeakPolarHBondContact CA-O 3.32Å; Y744-R751 WeakPolarHBondContact CB-O 3.46Å; Y744-R751 VanDerWaalsContact CD1-O 3.27Å; Y744-R751 WeakPolarHBondContact CD1-O 3.46Å; Y744-R752 HydrophobicContact CD1-CB 4.37Å; Y744-R752 HydrophobicContact CE1-CB 4.26Å; Y744-S753 VanDerWaalsContact CA-OG 3.28Å; Y744-S753 WeakPolarHBondContact CA-OG 3.15Å; Y744-S753 PolarHBondContact N-OG 3.37Å; Y744-S753 VanDerWaalsContact N-OG 3.09Å; Y744-S753 PolarHBondContact O-OG 3.26Å
745	E	83.9	Confident	80.8	Confident	100 Å²	100	88.7 Å²	88.7	47%	0.467	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	154.6	-174.5	-91.2	171.1	-138.4	0	0	109.3	E750 R751 S753	E745-E750 PolarHBondContact O-N 2.92Å; E745-R751 PolarHBondContact N-O 2.89Å; E745-R751 PolarHBondContact O-N 3.42Å; E745-S753 WeakPolarHBondContact CG-OG 2.91Å; E745-S753 WeakPolarHBondContact OE1-CA 3.31Å; E745-S753 WeakPolarHBondContact OE1-CB 3.45Å
746	G	80.8	Confident	79.6	Confident	25 Å²	25	91.9 Å²	91.9	26%	0.258	46%	0.46	S	S	.	.	S	Bend	trans	109.1	167.3	-179.8	0	0	0	0	0	114.1	H748 C749 E750	G746-H748 PolarHBondContact O-N 3.47Å; G746-H748 VanDerWaalsContact O-N 3.16Å; G746-C749 PolarHBondContact O-N 3.21Å; G746-E750 VanDerWaalsContact C-OE2 3.32Å; G746-E750 VanDerWaalsContact CA-OE1 3.32Å; G746-E750 WeakPolarHBondContact CA-OE1 3.36Å; G746-E750 WeakPolarHBondContact CA-OE2 3.38Å
747	P	80.3	Confident	77.6	Confident	85 Å²	85	94.6 Å²	94.6	55%	0.552	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.2	-174.7	25.5	-35.3	0	0	0	113.7	C739 E750	C739-P747 WeakPolarHBondContact CB-O 3.43Å; C739-P747 PolarHBondContact SG-O 2.98Å; C739-P747 VanDerWaalsContact SG-O 3.37Å; P747-E750 WeakPolarHBondContact CD-OE1 3.27Å; P747-E750 WeakPolarHBondContact CD-OE2 3.35Å
748	H	82.9	Confident	75.6	Confident	52 Å²	52	97.2 Å²	97.2	24%	0.241	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	20.5	179.9	-55.3	-58.4	0	0	0	112.9	M725 F737 G746 E750	M725-H748 WeakPolarHBondContact CB-O 3.2Å; M725-H748 PolarHBondContact N-O 3.39Å; F737-H748 AromaticContact CE2-CE1 3.64Å; F737-H748 AromaticContact CE2-ND1 3.59Å; F737-H748 AromaticContact CZ-CE1 3.35Å; F737-H748 WeakPolarHBondContact CZ-CE1 3.02Å; F737-H748 AromaticContact CZ-ND1 3.71Å; G746-H748 PolarHBondContact O-N 3.47Å; G746-H748 VanDerWaalsContact O-N 3.16Å; H748-E750 VanDerWaalsContact C-N 3.3Å; H748-E750 PolarHBondContact N-OE2 3.33Å; H748-E750 PolarHBondContact O-N 3.26Å
749	C	87.7	Confident	73.2	Confident	1 Å²	1	101.4 Å²	101.4	1%	0.007	52%	0.518	C	S	.	.	S	Bend	trans	59.9	36.7	-176	-46.9	0	0	0	0	113.7	M725 H726 C741 Y744 G746	M725-C749 VanDerWaalsContact O-CB 3.31Å; M725-C749 WeakPolarHBondContact O-CB 3.42Å; H726-C749 PolarHBondContact ND1-O 2.88Å; C741-C749 WeakPolarHBondContact CA-SG 3.47Å; C741-C749 HydrophobicContact CB-CB 3.74Å; C741-C749 WeakPolarHBondContact CB-SG 3.47Å; C741-C749 WeakPolarHBondContact SG-CA 3.32Å; C741-C749 WeakPolarHBondContact SG-CB 3.38Å; C741-C749 PolarHBondContact SG-N 3.45Å; C741-C749 CovalentContact SG-SG 2.02Å; C741-C749 PolarHBondContact SG-SG 3.45Å; Y744-C749 WeakPolarHBondContact CD1-O 3.32Å; G746-C749 PolarHBondContact O-N 3.21Å
750	E	82.4	Confident	70.7	Confident	68 Å²	68	103.7 Å²	103.7	32%	0.318	55%	0.546	S	S	.	.			trans	-86	-17.4	-171.6	74.4	-66.6	159.3	0	0	114.5	M725 E745 G746 P747 H748	M725-E750 HydrophobicContact SD-CB 4Å; E745-E750 PolarHBondContact O-N 2.92Å; G746-E750 VanDerWaalsContact C-OE2 3.32Å; G746-E750 VanDerWaalsContact CA-OE1 3.32Å; G746-E750 WeakPolarHBondContact CA-OE1 3.36Å; G746-E750 WeakPolarHBondContact CA-OE2 3.38Å; P747-E750 WeakPolarHBondContact CD-OE1 3.27Å; P747-E750 WeakPolarHBondContact CD-OE2 3.35Å; H748-E750 VanDerWaalsContact C-N 3.3Å; H748-E750 PolarHBondContact N-OE2 3.33Å; H748-E750 PolarHBondContact O-N 3.26Å
751	R	84.7	Confident	68	Low	141 Å²	141	106.3 Å²	106.3	53%	0.532	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.8	145.3	-179	-71.4	173.1	-74.6	148	1	110.6	Y744 E745	Y744-R751 CarbonylContact C-O 3.57Å; Y744-R751 VanDerWaalsContact C-O 3.3Å; Y744-R751 WeakPolarHBondContact CA-O 3.32Å; Y744-R751 WeakPolarHBondContact CB-O 3.46Å; Y744-R751 VanDerWaalsContact CD1-O 3.27Å; Y744-R751 WeakPolarHBondContact CD1-O 3.46Å; E745-R751 PolarHBondContact N-O 2.89Å; E745-R751 PolarHBondContact O-N 3.42Å
752	R	81.4	Confident	65.8	Low	200 Å²	200	110.6 Å²	110.6	76%	0.755	59%	0.588	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.7	131.5	176.6	-163.5	176.3	-176.1	-177.6	1.6	110.5	D743 Y744 G754	D743-R752 CarbonylContact O-C 3.41Å; D743-R752 WeakPolarHBondContact O-CA 3.19Å; D743-R752 WeakPolarHBondContact O-CG 3.41Å; Y744-R752 HydrophobicContact CD1-CB 4.37Å; Y744-R752 HydrophobicContact CE1-CB 4.26Å; R752-G754 PolarHBondContact O-N 2.86Å
753	S	71	Confident	63.6	Low	36 Å²	36	109.5 Å²	109.5	25%	0.252	60%	0.595	S	S	.	*			trans	-66.2	119.8	176.5	-51	0	0	0	0	109.4	D743 Y744 E745 K755	D743-S753 VanDerWaalsContact C-OG 3.22Å; D743-S753 PolarHBondContact O-N 3.48Å; D743-S753 PolarHBondContact O-OG 3Å; Y744-S753 VanDerWaalsContact CA-OG 3.28Å; Y744-S753 WeakPolarHBondContact CA-OG 3.15Å; Y744-S753 PolarHBondContact N-OG 3.37Å; Y744-S753 VanDerWaalsContact N-OG 3.09Å; Y744-S753 PolarHBondContact O-OG 3.26Å; E745-S753 WeakPolarHBondContact CG-OG 2.91Å; E745-S753 WeakPolarHBondContact OE1-CA 3.31Å; E745-S753 WeakPolarHBondContact OE1-CB 3.45Å; S753-K755 PolarHBondContact O-N 3.1Å
754	G	61.7	Low	61.5	Low	70 Å²	70	112.9 Å²	112.9	72%	0.722	60%	0.604	S	S	*	*			trans	-70.5	111.5	-172.3	0	0	0	0	0	112.4	R752	R752-G754 PolarHBondContact O-N 2.86Å
755	K	46.5	Very low	59.1	Low	206 Å²	206	115.7 Å²	115.7	90%	0.896	63%	0.631	S	S	*	*			trans	-90	125.3	147.8	-96.1	-178	178.7	172.8	0	108.6	S753 S757	S753-K755 PolarHBondContact O-N 3.1Å; K755-S757 PolarHBondContact O-N 3.26Å
756	N	47.1	Very low	56.6	Low	172 Å²	172	115.3 Å²	115.3	92%	0.92	64%	0.644	S	S	*	*			trans	-46.5	120.1	174.6	-73.6	-27.4	0	0	0	112.5
757	S	35.2	Very low	54.3	Low	120 Å²	120	117.6 Å²	117.6	84%	0.839	67%	0.668	S	S	*	*			trans	-128.5	116.6	143.1	-179.5	0	0	0	0	107.7	K755	K755-S757 PolarHBondContact O-N 3.26Å
758	S	44.7	Very low	52	Low	99 Å²	99	122.2 Å²	122.2	69%	0.692	69%	0.687	S	S	*	*			trans	-58.2	153	179	43.7	0	0	0	0	115.1
759	R	37.7	Very low	49.5	Very low	247 Å²	247	129.5 Å²	129.5	93%	0.932	72%	0.718	S	S	*	*			trans	88.1	98	169.1	-61.8	175	168.3	159.5	-3.7	114.1
760	G	36.1	Very low	46.9	Very low	70 Å²	70	139.5 Å²	139.5	72%	0.722	76%	0.761	S	S	*	*				109.6	133.7	81.4	0	0	0	0	0	105.9
761	D	35.3	Very low	44.5	Very low	168 Å²	168	145.9 Å²	145.9	90%	0.898	79%	0.788	S	S	*	*			cis	-145.2	163	16.7	-71.7	-51.7	0	0	0	109.1
762	V	41.4	Very low	42.5	Very low	124 Å²	124	144.4 Å²	144.4	75%	0.752	80%	0.8	S	S	*	*			trans	-96.9	150.6	178.7	-170.7	0	0	0	0	109.3
763	P	40	Very low	40.3	Very low	128 Å²	128	146.7 Å²	146.7	83%	0.831	81%	0.808	S	S	*	*				-140.9	149	95.5	20.8	1.8	0	0	0	116
764	K	42.6	Very low	39	Very low	189 Å²	189	153.2 Å²	153.2	82%	0.822	84%	0.835	S	S	*	*			trans	-71.2	165.4	173.3	-73.9	173.4	173.7	169.6	0	113.1
765	P	38.5	Very low	37.9	Very low	129 Å²	129	162.1 Å²	162.1	84%	0.838	85%	0.847	S	S	*	*				-142.7	169	110.3	32.5	-15.7	0	0	0	112.4
766	A	30.6	Very low	38.1	Very low	91 Å²	91	157.5 Å²	157.5	75%	0.752	83%	0.827	S	S	*	*			cis	-169.2	133.8	-26.5	0	0	0	0	0	105.5
767	G	31.7	Very low	38.6	Very low	74 Å²	74	152.9 Å²	152.9	76%	0.763	81%	0.808	S	S	*	*			trans	65.7	128.7	164.5	0	0	0	0	0	116.4
768	L	32.5	Very low	39.3	Very low	181 Å²	181	154.2 Å²	154.2	95%	0.948	80%	0.8	S	S	*	*			cis	-158.2	143.3	45	-87	152.3	0	0	0	110	K770	L768-K770 PolarHBondContact O-N 2.87Å
769	K	30.1	Very low	39.7	Very low	205 Å²	205	157.1 Å²	157.1	89%	0.891	80%	0.803	S	S	*	*			trans	-56.7	122.2	-174.6	-67.8	169.6	174	173.6	0	112.8	K771	K769-K771 PolarHBondContact O-N 3.5Å
770	K	33	Very low	40.3	Very low	211 Å²	211	149.6 Å²	149.6	92%	0.917	78%	0.778	S	S	*	*			trans	-69	109.7	154.8	-85.7	179.6	175.1	175.2	0	108.7	L768	L768-K770 PolarHBondContact O-N 2.87Å
771	K	32.2	Very low	41.1	Very low	202 Å²	202	151.4 Å²	151.4	88%	0.878	77%	0.771	S	S	*	*			trans	-73.4	120	155.7	-86.6	-176	174.9	177.5	0	107.4	K769	K769-K771 PolarHBondContact O-N 3.5Å
772	S	43.1	Very low	42.1	Very low	111 Å²	111	147.3 Å²	147.3	78%	0.776	75%	0.749	S	S	*	*			trans	-64.3	135.3	170.4	67.1	0	0	0	0	109.5
773	R	35	Very low	43	Very low	247 Å²	247	150.6 Å²	150.6	93%	0.932	75%	0.747	S	S	*	*			trans	-111.5	103.9	161	-94.4	-175.6	170.5	177.8	-0.5	107.8	R775	R773-R775 PolarHBondContact O-N 2.93Å
774	Q	43.1	Very low	43.6	Very low	174 Å²	174	152.3 Å²	152.3	81%	0.813	74%	0.738	S	S	*	*			trans	-49.4	131.8	159.9	-78.5	170.1	-37.3	0	0	109.5	K776	Q774-K776 PolarHBondContact O-N 2.87Å
775	R	40.6	Very low	44.1	Very low	256 Å²	256	151.1 Å²	151.1	97%	0.966	73%	0.729	S	S	*	*			trans	-60.8	112.5	169	-86.9	177.5	161.5	176.7	-5.6	108.6	R773	R773-R775 PolarHBondContact O-N 2.93Å
776	K	49.3	Very low	45	Very low	110 Å²	110	152.4 Å²	152.4	48%	0.478	72%	0.721	S	S	.	*			trans	-86.2	141.9	168.5	-71.1	-167.3	168.2	-149.4	0	109.8	Q774 E780	Q774-K776 PolarHBondContact O-N 2.87Å; K776-E780 IonicContact NZ-OE1 2.76Å; K776-E780 PolarHBondContact NZ-OE1 3.43Å
777	S	57.8	Low	45.9	Very low	75 Å²	75	153.3 Å²	153.3	52%	0.524	71%	0.713	S	S	.	*			trans	-69.9	154.7	-177.2	101.4	0	0	0	0	112	Q779 E780	S777-Q779 PolarHBondContact O-N 3.4Å; S777-Q779 VanDerWaalsContact O-N 3.12Å; S777-E780 PolarHBondContact O-N 3.1Å
778	H	49.9	Very low	46.6	Very low	147 Å²	147	155.7 Å²	155.7	68%	0.681	70%	0.704	S	S	*	*	H	α-helix	trans	-54.2	-31.4	-175.4	-171.8	-161.7	0	0	0	113.7	E780 L781 L782	H778-E780 PolarHBondContact O-N 2.65Å; H778-L781 PolarHBondContact O-N 2.74Å; H778-L782 PolarHBondContact O-N 3.46Å; H778-L782 VanDerWaalsContact O-N 3.13Å
779	Q	53	Low	47.3	Very low	160 Å²	160	156.1 Å²	156.1	75%	0.748	69%	0.693	S	S	*	*	H	α-helix	trans	-69	-31.6	177.5	-89.2	178.3	-26.2	0	0	113.4	S777 R783	S777-Q779 PolarHBondContact O-N 3.4Å; S777-Q779 VanDerWaalsContact O-N 3.12Å; Q779-R783 PolarHBondContact O-N 2.9Å; Q779-R783 VanDerWaalsContact O-N 3.15Å
780	E	50.3	Low	48.2	Very low	89 Å²	89	156.7 Å²	156.7	42%	0.416	69%	0.69	S	S	.	*	H	α-helix	trans	-78	-29.4	179.8	-153.6	175.3	148.4	0	0	112	K776 S777 H778 R784	K776-E780 IonicContact NZ-OE1 2.76Å; K776-E780 PolarHBondContact NZ-OE1 3.43Å; S777-E780 PolarHBondContact O-N 3.1Å; H778-E780 PolarHBondContact O-N 2.65Å; E780-R784 PolarHBondContact O-N 3.01Å
781	L	53.1	Low	49.1	Very low	108 Å²	108	156.5 Å²	156.5	57%	0.565	68%	0.683	S	S	*	*	H	α-helix	trans	-68.5	-42.8	171	-87.6	154.2	0	0	0	111.8	H778 R783 R784 Y785	H778-L781 PolarHBondContact O-N 2.74Å; L781-R783 PolarHBondContact O-N 3.31Å; L781-R784 PolarHBondContact O-N 3.09Å; L781-Y785 WeakPolarHBondContact O-CB 3.45Å; L781-Y785 PolarHBondContact O-N 3.45Å
782	L	57.1	Low	49.8	Very low	82 Å²	82	153.8 Å²	153.8	43%	0.429	67%	0.673	S	S	.	*	H	α-helix	trans	-65	-36.7	176.4	-85.6	157.8	0	0	0	112.8	H778 Y785 K786	H778-L782 PolarHBondContact O-N 3.46Å; H778-L782 VanDerWaalsContact O-N 3.13Å; L782-Y785 PolarHBondContact O-N 2.93Å; L782-K786 PolarHBondContact O-N 3.32Å; L782-K786 VanDerWaalsContact O-N 3.13Å
783	R	59.7	Low	50.1	Low	193 Å²	193	154.3 Å²	154.3	73%	0.728	67%	0.672	S	S	*	*	H	α-helix	trans	-68	-37.6	175.5	-166.5	175.4	176.6	177.3	-0.8	112.1	Q779 L781 L787	Q779-R783 PolarHBondContact O-N 2.9Å; Q779-R783 VanDerWaalsContact O-N 3.15Å; L781-R783 PolarHBondContact O-N 3.31Å; R783-L787 PolarHBondContact O-N 3.27Å
784	R	53.3	Low	50.3	Low	165 Å²	165	150.3 Å²	150.3	62%	0.623	69%	0.691	S	S	*	*	H	α-helix	trans	-70.4	-37.4	174.2	-82.4	-173.5	172.7	-165.2	-4.4	112.9	E780 L781 K786 L787 H788	E780-R784 PolarHBondContact O-N 3.01Å; L781-R784 PolarHBondContact O-N 3.09Å; R784-K786 PolarHBondContact O-N 2.79Å; R784-L787 PolarHBondContact O-N 3.05Å; R784-H788 WeakPolarHBondContact O-CB 3.2Å; R784-H788 PolarHBondContact O-N 2.53Å
785	Y	53.1	Low	50.6	Low	164 Å²	164	149.1 Å²	149.1	64%	0.643	69%	0.685	S	S	*	*	H	α-helix	trans	-62.9	-41.6	176.3	-169.3	-98.2	0	0	0	111.9	L781 L782 L787 H788 R789	L781-Y785 WeakPolarHBondContact O-CB 3.45Å; L781-Y785 PolarHBondContact O-N 3.45Å; L782-Y785 PolarHBondContact O-N 2.93Å; Y785-L787 PolarHBondContact O-N 3.46Å; Y785-H788 PolarHBondContact O-N 2.87Å; Y785-R789 PolarHBondContact O-N 2.76Å; Y785-R789 VanDerWaalsContact O-N 3.13Å
786	K	56.9	Low	51.2	Low	156 Å²	156	143.5 Å²	143.5	68%	0.678	67%	0.671	S	S	*	*	H	α-helix	trans	-67	-32.1	174.5	-73.1	-175.6	178.5	-177.2	0	113.6	L782 R784	L782-K786 PolarHBondContact O-N 3.32Å; L782-K786 VanDerWaalsContact O-N 3.13Å; R784-K786 PolarHBondContact O-N 2.79Å
787	L	49.3	Very low	51.3	Low	109 Å²	109	145.3 Å²	145.3	57%	0.571	68%	0.681	S	S	*	*	H	α-helix	trans	-75.2	-33.7	175.6	-107.3	143.5	0	0	0	112.7	R783 R784 Y785	R783-L787 PolarHBondContact O-N 3.27Å; R784-L787 PolarHBondContact O-N 3.05Å; Y785-L787 PolarHBondContact O-N 3.46Å
788	H	47.3	Very low	50.9	Low	125 Å²	125	149.5 Å²	149.5	58%	0.579	69%	0.69	S	S	*	*	H	α-helix	trans	-73.8	-33.2	178.1	-147.8	-70.4	0	0	0	112.3	R784 Y785 R790 R791 H792	R784-H788 WeakPolarHBondContact O-CB 3.2Å; R784-H788 PolarHBondContact O-N 2.53Å; Y785-H788 PolarHBondContact O-N 2.87Å; H788-R790 VanDerWaalsContact C-N 3.31Å; H788-R790 PolarHBondContact O-N 3.29Å; H788-R791 PolarHBondContact O-N 3.18Å; H788-H792 AromaticContact CE1-CD2 3.88Å; H788-H792 AromaticContact CE1-NE2 3.54Å; H788-H792 AromaticContact ND1-CD2 3.68Å; H788-H792 AromaticContact ND1-NE2 3.85Å
789	R	46.2	Very low	50.9	Low	190 Å²	190	149.6 Å²	149.6	72%	0.717	69%	0.691	S	S	*	*	H	α-helix	trans	-70.5	-22.8	176.9	-163.8	174.6	168.1	-176.9	-3.5	113.5	Y785	Y785-R789 PolarHBondContact O-N 2.76Å; Y785-R789 VanDerWaalsContact O-N 3.13Å
790	R	49.1	Very low	50.8	Low	217 Å²	217	148.9 Å²	148.9	82%	0.819	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-7.6	174.2	-77.9	-172.8	175.6	-174.7	-1.8	114.5	H788	H788-R790 VanDerWaalsContact C-N 3.31Å; H788-R790 PolarHBondContact O-N 3.29Å
791	R	51.1	Low	50.8	Low	207 Å²	207	153.2 Å²	153.2	78%	0.781	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-2.9	178.7	-80.8	-173.9	175.6	-177.6	-2.6	114.7	H788	H788-R791 PolarHBondContact O-N 3.18Å
792	H	47.9	Very low	50.7	Low	144 Å²	144	156.7 Å²	156.7	67%	0.667	72%	0.718	S	S	*	*	S	Bend	trans	-116.8	15.1	179.5	-77.2	-72.9	0	0	0	113.8	H788	H788-H792 AromaticContact CE1-CD2 3.88Å; H788-H792 AromaticContact CE1-NE2 3.54Å; H788-H792 AromaticContact ND1-CD2 3.68Å; H788-H792 AromaticContact ND1-NE2 3.85Å
793	T	48.5	Very low	50.1	Low	123 Å²	123	162.9 Å²	162.9	76%	0.755	74%	0.742	S	S	*	*			trans	-126.7	53.9	168.5	55.8	0	0	0	0	110.2
794	A	39.1	Very low	49.3	Very low	162 Å²	162	160.2 Å²	160.2	100%	1.339	74%	0.743	S	S	*	*			trans	-145.1	0	163.5	0	0	0	0	0	107.8

Retrieved 794 of 794 residues in 389.6 ms (Link to these results)

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