A0A096MPN4_PAPAN Loading...

Zinc finger protein 214

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096MPN4, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF214, Length 606 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47	Very low	56.2	Low	239 Å²	239	97.2 Å²	97.2	100%	1.177	52%	0.523	S	S	*	.				0	131.6	0	-68.9	172.8	-78.3	0	0	106.7
2	A	56	Low	56.3	Low	62 Å²	62	94.3 Å²	94.3	51%	0.512	50%	0.503	S	S	.	.			trans	-69.2	153.6	163.2	0	0	0	0	0	108.5	E43	A2-E43 VanDerWaalsContact CB-OE1 3.32Å; A2-E43 WeakPolarHBondContact CB-OE1 3.26Å
3	V	54.2	Low	56	Low	85 Å²	85	92.7 Å²	92.7	52%	0.515	50%	0.499	S	S	.	.			trans	-101.3	114.1	172.8	178.2	0	0	0	0	106.7	D7 V8	V3-D7 HydrophobicContact CG1-CB 3.97Å; V3-V8 HydrophobicContact CG1-CG1 3.86Å
4	T	58.3	Low	55	Low	63 Å²	63	98.3 Å²	98.3	39%	0.387	51%	0.509	S	S	.	.			trans	-78.8	172	179.4	70.8	0	0	0	0	110.9	E6 D7	T4-E6 VanDerWaalsContact C-N 3.25Å; T4-E6 PolarHBondContact O-N 2.78Å; T4-E6 PolarHBondContact OG1-N 2.96Å; T4-D7 WeakPolarHBondContact CB-OD2 3.16Å; T4-D7 PolarHBondContact N-OD2 3.28Å; T4-D7 VanDerWaalsContact OG1-CG 3.29Å; T4-D7 PolarHBondContact OG1-N 3.19Å; T4-D7 VanDerWaalsContact OG1-N 3.17Å; T4-D7 PolarHBondContact OG1-OD2 3.25Å
5	F	53.5	Low	54.6	Low	68 Å²	68	100.7 Å²	100.7	30%	0.298	52%	0.517	S	S	.	.	S	Bend	trans	-69.3	-26.4	170.1	-176.6	-121.3	0	0	0	112.3	V8 T9 M32 N35 Y36	F5-V8 HydrophobicContact CD2-CG2 3.81Å; F5-V8 HydrophobicContact CE2-CG2 4.32Å; F5-V8 CarbonylContact O-C 3.59Å; F5-V8 WeakPolarHBondContact O-CG2 3.34Å; F5-V8 PolarHBondContact O-N 3.38Å; F5-T9 WeakPolarHBondContact CE1-OG1 3.46Å; F5-T9 WeakPolarHBondContact O-CB 3.42Å; F5-T9 PolarHBondContact O-N 3.42Å; F5-T9 VanDerWaalsContact O-N 3.13Å; F5-T9 PolarHBondContact O-OG1 3.23Å; F5-M32 HydrophobicContact CZ-CE 4.1Å; F5-N35 HydrophobicContact CE2-CB 4.28Å; F5-Y36 HydrophobicContact CD1-CD2 4.3Å; F5-Y36 HydrophobicContact CD2-CD2 4.04Å; F5-Y36 HydrophobicContact CE1-CD2 4.49Å; F5-Y36 HydrophobicContact CE2-CD2 4.27Å; F5-Y36 HydrophobicContact CE2-CG 4.42Å; F5-Y36 HydrophobicContact CG-CD2 4.07Å; F5-Y36 HydrophobicContact CZ-CD2 4.47Å
6	E	52.4	Low	54.4	Low	144 Å²	144	100.4 Å²	100.4	67%	0.673	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-68.6	-39.5	178.4	-64.6	173.8	174	0	0	110.8	T4 V8 T9	T4-E6 VanDerWaalsContact C-N 3.25Å; T4-E6 PolarHBondContact O-N 2.78Å; T4-E6 PolarHBondContact OG1-N 2.96Å; E6-V8 PolarHBondContact O-N 3.31Å; E6-V8 VanDerWaalsContact O-N 3.1Å; E6-T9 PolarHBondContact O-N 2.86Å; E6-T9 VanDerWaalsContact O-N 3.11Å
7	D	59.4	Low	55	Low	111 Å²	111	99.1 Å²	99.1	59%	0.594	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-60.3	-19.4	174.6	-63.8	-63.5	0	0	0	114.3	V3 T4	V3-D7 HydrophobicContact CG1-CB 3.97Å; T4-D7 WeakPolarHBondContact CB-OD2 3.16Å; T4-D7 PolarHBondContact N-OD2 3.28Å; T4-D7 VanDerWaalsContact OG1-CG 3.29Å; T4-D7 PolarHBondContact OG1-N 3.19Å; T4-D7 VanDerWaalsContact OG1-N 3.17Å; T4-D7 PolarHBondContact OG1-OD2 3.25Å
8	V	58.8	Low	55.1	Low	42 Å²	42	100.3 Å²	100.3	26%	0.255	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-117.1	9.5	179.3	-57.7	0	0	0	0	113.1	V3 F5 E6 N35 V39	V3-V8 HydrophobicContact CG1-CG1 3.86Å; F5-V8 HydrophobicContact CD2-CG2 3.81Å; F5-V8 HydrophobicContact CE2-CG2 4.32Å; F5-V8 CarbonylContact O-C 3.59Å; F5-V8 WeakPolarHBondContact O-CG2 3.34Å; F5-V8 PolarHBondContact O-N 3.38Å; E6-V8 PolarHBondContact O-N 3.31Å; E6-V8 VanDerWaalsContact O-N 3.1Å; V8-N35 HydrophobicContact CB-CB 4.43Å; V8-N35 HydrophobicContact CG2-CB 4.03Å; V8-N35 PolarHBondContact O-ND2 2.97Å; V8-V39 HydrophobicContact CG1-CG2 4.34Å; V8-V39 HydrophobicContact CG2-CG2 3.59Å
9	T	59.1	Low	55.5	Low	39 Å²	39	104.5 Å²	104.5	24%	0.239	52%	0.517	C	S	.	.			trans	-92.7	118.5	-178.7	-78.3	0	0	0	0	110	F5 E6 I11 M32	F5-T9 WeakPolarHBondContact CE1-OG1 3.46Å; F5-T9 WeakPolarHBondContact O-CB 3.42Å; F5-T9 PolarHBondContact O-N 3.42Å; F5-T9 VanDerWaalsContact O-N 3.13Å; F5-T9 PolarHBondContact O-OG1 3.23Å; E6-T9 PolarHBondContact O-N 2.86Å; E6-T9 VanDerWaalsContact O-N 3.11Å; T9-I11 HydrophobicContact CG2-CD1 4.22Å; T9-I11 HydrophobicContact CG2-CG1 3.59Å; T9-M32 HydrophobicContact CG2-CE 3.63Å
10	I	64.3	Low	56	Low	96 Å²	96	100.8 Å²	100.8	49%	0.492	50%	0.499	S	S	.	.			trans	-83.4	122.6	166.4	-60.4	176.5	0	0	0	107	F12 Y28 M32	I10-F12 HydrophobicContact CG2-CE2 4.41Å; I10-Y28 HydrophobicContact CB-CE2 4.48Å; I10-Y28 VanDerWaalsContact O-CE2 3.31Å; I10-Y28 WeakPolarHBondContact O-CE2 3.49Å; I10-Y28 PolarHBondContact O-OH 2.89Å; I10-Y28 VanDerWaalsContact O-OH 3.05Å; I10-M32 HydrophobicContact CB-SD 4.43Å
11	I	55.4	Low	56.3	Low	120 Å²	120	99.4 Å²	99.4	62%	0.615	49%	0.493	S	S	*	.			trans	-104.8	132	176.9	-54.8	-179.5	0	0	0	108.7	T9	T9-I11 HydrophobicContact CG2-CD1 4.22Å; T9-I11 HydrophobicContact CG2-CG1 3.59Å
12	F	57.3	Low	56.4	Low	63 Å²	63	92.8 Å²	92.8	28%	0.276	47%	0.471	S	S	.	.			trans	-103.7	140.7	166.9	-72.7	-70.8	0	0	0	110.1	I10 E16 W17 L20 Y28	I10-F12 HydrophobicContact CG2-CE2 4.41Å; F12-E16 HydrophobicContact CB-CB 4.41Å; F12-E16 HydrophobicContact CD1-CB 3.95Å; F12-W17 HydrophobicContact CB-CB 4.35Å; F12-W17 HydrophobicContact CB-CE3 4.22Å; F12-W17 AromaticContact CD2-CE3 3.92Å; F12-W17 HydrophobicContact CD2-CE3 3.92Å; F12-W17 HydrophobicContact CD2-CZ3 4.14Å; F12-W17 HydrophobicContact CG-CE3 4.36Å; F12-L20 HydrophobicContact CD1-CD1 4.45Å; F12-L20 HydrophobicContact CD2-CD1 3.85Å; F12-L20 HydrophobicContact CE1-CD1 4.32Å; F12-L20 HydrophobicContact CE2-CD1 3.68Å; F12-L20 HydrophobicContact CG-CD1 4.22Å; F12-L20 HydrophobicContact CZ-CD1 3.93Å; F12-L20 HydrophobicContact CZ-CD2 4.41Å; F12-Y28 AromaticContact CD2-CD2 3.91Å; F12-Y28 HydrophobicContact CD2-CD2 3.91Å; F12-Y28 AromaticContact CD2-CE2 3.72Å; F12-Y28 HydrophobicContact CD2-CE2 3.72Å; F12-Y28 AromaticContact CE2-CD2 3.56Å; F12-Y28 HydrophobicContact CE2-CD2 3.56Å; F12-Y28 AromaticContact CE2-CE2 3.79Å; F12-Y28 HydrophobicContact CE2-CE2 3.79Å; F12-Y28 HydrophobicContact CE2-CG 4.34Å
13	T	52.8	Low	56.4	Low	73 Å²	73	93.9 Å²	93.9	45%	0.448	48%	0.475	S	S	.	.			trans	-64.2	160.7	163.3	63.3	0	0	0	0	110.6	E15 E16 W17	T13-E15 PolarHBondContact O-N 3Å; T13-E16 VanDerWaalsContact CB-OE2 3.31Å; T13-E16 WeakPolarHBondContact CB-OE2 3.5Å; T13-E16 WeakPolarHBondContact CG2-OE2 3.3Å; T13-E16 PolarHBondContact N-OE2 3.1Å; T13-E16 PolarHBondContact O-N 3.47Å; T13-E16 VanDerWaalsContact OG1-CD 3.29Å; T13-E16 VanDerWaalsContact OG1-CG 3.26Å; T13-E16 WeakPolarHBondContact OG1-CG 3.47Å; T13-E16 PolarHBondContact OG1-N 3.1Å; T13-E16 PolarHBondContact OG1-OE2 3.5Å; T13-W17 VanDerWaalsContact O-CB 3.23Å; T13-W17 WeakPolarHBondContact O-CB 3.18Å; T13-W17 PolarHBondContact O-N 3.35Å
14	W	41.8	Very low	56.6	Low	171 Å²	171	94.2 Å²	94.2	65%	0.648	47%	0.47	S	S	*	.	H	α-helix	trans	-61.7	-27.5	176.3	-177.6	84	0	0	0	113	K18	W14-K18 HydrophobicContact CE3-CD 4.29Å; W14-K18 VanDerWaalsContact CZ2-CE 3.49Å; W14-K18 HydrophobicContact CZ3-CD 4.33Å; W14-K18 WeakPolarHBondContact O-CG 3.26Å; W14-K18 PolarHBondContact O-N 2.94Å
15	E	48.1	Very low	56.9	Low	134 Å²	134	93.2 Å²	93.2	63%	0.626	46%	0.461	S	S	*	.	H	α-helix	trans	-74.8	-51	179	-68.6	166.4	-180	0	0	110.6	T13 W17 K18 F19	T13-E15 PolarHBondContact O-N 3Å; E15-W17 VanDerWaalsContact C-N 3.32Å; E15-W17 PolarHBondContact O-N 3.19Å; E15-K18 WeakPolarHBondContact O-CB 3.21Å; E15-K18 PolarHBondContact O-N 3.14Å; E15-F19 WeakPolarHBondContact O-CD2 3.28Å
16	E	51.7	Low	57.1	Low	96 Å²	96	97.5 Å²	97.5	45%	0.449	48%	0.475	S	S	.	.	H	α-helix	trans	-59.6	-43.2	172.3	-66.6	162.7	124.2	0	0	111.7	F12 T13 K18 F19 L20	F12-E16 HydrophobicContact CB-CB 4.41Å; F12-E16 HydrophobicContact CD1-CB 3.95Å; T13-E16 VanDerWaalsContact CB-OE2 3.31Å; T13-E16 WeakPolarHBondContact CB-OE2 3.5Å; T13-E16 WeakPolarHBondContact CG2-OE2 3.3Å; T13-E16 PolarHBondContact N-OE2 3.1Å; T13-E16 PolarHBondContact O-N 3.47Å; T13-E16 VanDerWaalsContact OG1-CD 3.29Å; T13-E16 VanDerWaalsContact OG1-CG 3.26Å; T13-E16 WeakPolarHBondContact OG1-CG 3.47Å; T13-E16 PolarHBondContact OG1-N 3.1Å; T13-E16 PolarHBondContact OG1-OE2 3.5Å; E16-K18 PolarHBondContact O-N 2.83Å; E16-F19 PolarHBondContact O-N 2.87Å; E16-L20 PolarHBondContact O-N 3.23Å
17	W	65.3	Low	57.5	Low	78 Å²	78	95.6 Å²	95.6	30%	0.295	47%	0.469	S	S	.	.	H	α-helix	trans	-59.3	-30.5	178.7	-174.1	-104	0	0	0	112.3	F12 T13 E15 L20 K25 Y28	F12-W17 HydrophobicContact CB-CB 4.35Å; F12-W17 HydrophobicContact CB-CE3 4.22Å; F12-W17 AromaticContact CD2-CE3 3.92Å; F12-W17 HydrophobicContact CD2-CE3 3.92Å; F12-W17 HydrophobicContact CD2-CZ3 4.14Å; F12-W17 HydrophobicContact CG-CE3 4.36Å; T13-W17 VanDerWaalsContact O-CB 3.23Å; T13-W17 WeakPolarHBondContact O-CB 3.18Å; T13-W17 PolarHBondContact O-N 3.35Å; E15-W17 VanDerWaalsContact C-N 3.32Å; E15-W17 PolarHBondContact O-N 3.19Å; W17-L20 HydrophobicContact CD2-CD1 4.44Å; W17-L20 HydrophobicContact CE3-CD1 3.63Å; W17-L20 HydrophobicContact CZ3-CD1 3.94Å; W17-K25 HydrophobicContact CH2-CB 4.28Å; W17-K25 HydrophobicContact CH2-CG 4.04Å; W17-K25 HydrophobicContact CZ2-CB 4.31Å; W17-K25 HydrophobicContact CZ2-CD 4.19Å; W17-K25 HydrophobicContact CZ2-CG 3.9Å; W17-K25 HydrophobicContact CZ3-CG 4.44Å; W17-K25 WeakPolarHBondContact O-CE 3.19Å; W17-K25 PolarHBondContact O-NZ 3.35Å; W17-Y28 AromaticContact CH2-CD1 3.51Å; W17-Y28 HydrophobicContact CH2-CD1 3.51Å; W17-Y28 AromaticContact CH2-CE1 3.83Å; W17-Y28 HydrophobicContact CH2-CE1 3.83Å; W17-Y28 HydrophobicContact CH2-CG 4.27Å; W17-Y28 AromaticContact CZ3-CD1 3.41Å; W17-Y28 HydrophobicContact CZ3-CD1 3.41Å; W17-Y28 VanDerWaalsContact CZ3-CD1 3.41Å; W17-Y28 HydrophobicContact CZ3-CD2 4.46Å; W17-Y28 AromaticContact CZ3-CE1 3.61Å; W17-Y28 HydrophobicContact CZ3-CE1 3.61Å; W17-Y28 AromaticContact CZ3-CG 3.85Å; W17-Y28 HydrophobicContact CZ3-CG 3.85Å
18	K	57.2	Low	58	Low	121 Å²	121	92.4 Å²	92.4	53%	0.526	45%	0.449	S	S	.	.	H	α-helix	trans	-64.6	-40.5	174.1	-83.8	174.4	165.9	-177.9	0	112.7	W14 E15 E16 L20 K25	W14-K18 HydrophobicContact CE3-CD 4.29Å; W14-K18 VanDerWaalsContact CZ2-CE 3.49Å; W14-K18 HydrophobicContact CZ3-CD 4.33Å; W14-K18 WeakPolarHBondContact O-CG 3.26Å; W14-K18 PolarHBondContact O-N 2.94Å; E15-K18 WeakPolarHBondContact O-CB 3.21Å; E15-K18 PolarHBondContact O-N 3.14Å; E16-K18 PolarHBondContact O-N 2.83Å; K18-L20 VanDerWaalsContact C-N 3.29Å; K18-L20 PolarHBondContact O-N 3.2Å; K18-K25 PolarHBondContact O-NZ 3.43Å
19	F	61.9	Low	57.9	Low	180 Å²	180	97.2 Å²	97.2	79%	0.789	46%	0.462	S	S	*	.	H	α-helix	trans	-71.6	-18.8	-178	-66.6	-72.3	0	0	0	114.3	E15 E16	E15-F19 WeakPolarHBondContact O-CD2 3.28Å; E16-F19 PolarHBondContact O-N 2.87Å
20	L	65.7	Low	57.9	Low	31 Å²	31	100.8 Å²	100.8	16%	0.162	48%	0.476	C	S	.	.	S	Bend	trans	-68.5	132.3	177.7	-61.2	179.8	0	0	0	112.5	F12 E16 W17 K18 Q24 K25	F12-L20 HydrophobicContact CD1-CD1 4.45Å; F12-L20 HydrophobicContact CD2-CD1 3.85Å; F12-L20 HydrophobicContact CE1-CD1 4.32Å; F12-L20 HydrophobicContact CE2-CD1 3.68Å; F12-L20 HydrophobicContact CG-CD1 4.22Å; F12-L20 HydrophobicContact CZ-CD1 3.93Å; F12-L20 HydrophobicContact CZ-CD2 4.41Å; E16-L20 PolarHBondContact O-N 3.23Å; W17-L20 HydrophobicContact CD2-CD1 4.44Å; W17-L20 HydrophobicContact CE3-CD1 3.63Å; W17-L20 HydrophobicContact CZ3-CD1 3.94Å; K18-L20 VanDerWaalsContact C-N 3.29Å; K18-L20 PolarHBondContact O-N 3.2Å; L20-Q24 VanDerWaalsContact CA-OE1 3.25Å; L20-Q24 HydrophobicContact CB-CB 4.16Å; L20-Q24 HydrophobicContact CD2-CB 4.31Å; L20-K25 HydrophobicContact CB-CD 4.47Å; L20-K25 HydrophobicContact CB-CG 3.76Å; L20-K25 WeakPolarHBondContact O-CE 3.36Å; L20-K25 PolarHBondContact O-NZ 2.78Å
21	D	61.2	Low	57.8	Low	72 Å²	72	98.9 Å²	98.9	39%	0.385	47%	0.469	S	S	.	.			trans	-74.2	169.7	175.4	77.4	59.4	0	0	0	113.1	S23 Q24 K25	D21-S23 PolarHBondContact O-N 3.46Å; D21-S23 VanDerWaalsContact OD1-CA 3.23Å; D21-S23 WeakPolarHBondContact OD1-CA 3.35Å; D21-S23 WeakPolarHBondContact OD1-CB 3.44Å; D21-S23 PolarHBondContact OD1-N 3.1Å; D21-S23 PolarHBondContact OD1-OG 3.09Å; D21-Q24 PolarHBondContact O-N 2.97Å; D21-Q24 PolarHBondContact OD1-N 3.14Å; D21-Q24 VanDerWaalsContact OD2-CG 3.29Å; D21-Q24 WeakPolarHBondContact OD2-CG 3.46Å; D21-Q24 PolarHBondContact OD2-NE2 2.97Å; D21-K25 WeakPolarHBondContact O-CB 3.33Å; D21-K25 WeakPolarHBondContact O-CG 3.31Å; D21-K25 PolarHBondContact O-N 3.24Å
22	S	49.9	Very low	58.6	Low	100 Å²	100	94.1 Å²	94.1	70%	0.699	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.5	-178	-57.3	0	0	0	0	114.7	R26	S22-R26 WeakPolarHBondContact O-CB 3.19Å; S22-R26 PolarHBondContact O-N 3.2Å
23	S	55.9	Low	58.7	Low	85 Å²	85	97.7 Å²	97.7	59%	0.594	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-42.6	175.5	-43.4	0	0	0	0	110.9	D21 R26 L27	D21-S23 PolarHBondContact O-N 3.46Å; D21-S23 VanDerWaalsContact OD1-CA 3.23Å; D21-S23 WeakPolarHBondContact OD1-CA 3.35Å; D21-S23 WeakPolarHBondContact OD1-CB 3.44Å; D21-S23 PolarHBondContact OD1-N 3.1Å; D21-S23 PolarHBondContact OD1-OG 3.09Å; S23-R26 WeakPolarHBondContact O-CA 3.26Å; S23-R26 WeakPolarHBondContact O-CB 3.02Å; S23-R26 PolarHBondContact O-N 3.11Å; S23-R26 VanDerWaalsContact O-N 3.07Å; S23-L27 PolarHBondContact O-N 3.32Å
24	Q	58.8	Low	59	Low	91 Å²	91	100 Å²	100	43%	0.425	46%	0.462	S	S	.	.	H	α-helix	trans	-61.3	-46.2	173.5	-68.7	169.4	-7.5	0	0	111.3	L20 D21 R26 L27 Y28	L20-Q24 VanDerWaalsContact CA-OE1 3.25Å; L20-Q24 HydrophobicContact CB-CB 4.16Å; L20-Q24 HydrophobicContact CD2-CB 4.31Å; D21-Q24 PolarHBondContact O-N 2.97Å; D21-Q24 PolarHBondContact OD1-N 3.14Å; D21-Q24 VanDerWaalsContact OD2-CG 3.29Å; D21-Q24 WeakPolarHBondContact OD2-CG 3.46Å; D21-Q24 PolarHBondContact OD2-NE2 2.97Å; Q24-R26 PolarHBondContact O-N 3.26Å; Q24-L27 PolarHBondContact O-N 3.21Å; Q24-Y28 WeakPolarHBondContact O-CB 3.44Å; Q24-Y28 PolarHBondContact O-N 2.84Å
25	K	64.5	Low	59.9	Low	43 Å²	43	94 Å²	94	19%	0.187	44%	0.443	C	S	.	.	H	α-helix	trans	-62.2	-22.6	172.2	-73.3	177.6	164.4	117	0	113.4	W17 K18 L20 D21 R29	W17-K25 HydrophobicContact CH2-CB 4.28Å; W17-K25 HydrophobicContact CH2-CG 4.04Å; W17-K25 HydrophobicContact CZ2-CB 4.31Å; W17-K25 HydrophobicContact CZ2-CD 4.19Å; W17-K25 HydrophobicContact CZ2-CG 3.9Å; W17-K25 HydrophobicContact CZ3-CG 4.44Å; W17-K25 WeakPolarHBondContact O-CE 3.19Å; W17-K25 PolarHBondContact O-NZ 3.35Å; K18-K25 PolarHBondContact O-NZ 3.43Å; L20-K25 HydrophobicContact CB-CD 4.47Å; L20-K25 HydrophobicContact CB-CG 3.76Å; L20-K25 WeakPolarHBondContact O-CE 3.36Å; L20-K25 PolarHBondContact O-NZ 2.78Å; D21-K25 WeakPolarHBondContact O-CB 3.33Å; D21-K25 WeakPolarHBondContact O-CG 3.31Å; D21-K25 PolarHBondContact O-N 3.24Å; K25-R29 PolarHBondContact O-NE 3.26Å; K25-R29 PolarHBondContact O-NH2 3.1Å; K25-R29 VanDerWaalsContact O-NH2 3.15Å
26	R	56.8	Low	60.3	Low	157 Å²	157	90.1 Å²	90.1	59%	0.592	42%	0.423	S	S	*	.	H	α-helix	trans	-81	-49.8	172.4	-177.8	178	-64.5	159.3	2.6	110.7	S22 S23 Q24 Y28 R29 E30	S22-R26 WeakPolarHBondContact O-CB 3.19Å; S22-R26 PolarHBondContact O-N 3.2Å; S23-R26 WeakPolarHBondContact O-CA 3.26Å; S23-R26 WeakPolarHBondContact O-CB 3.02Å; S23-R26 PolarHBondContact O-N 3.11Å; S23-R26 VanDerWaalsContact O-N 3.07Å; Q24-R26 PolarHBondContact O-N 3.26Å; R26-Y28 VanDerWaalsContact C-N 3.29Å; R26-Y28 PolarHBondContact O-N 3.35Å; R26-R29 PolarHBondContact O-N 3.2Å; R26-E30 WeakPolarHBondContact CD-OE1 3.3Å; R26-E30 HydrophobicContact CG-CG 4.46Å; R26-E30 VanDerWaalsContact CG-OE1 3.31Å; R26-E30 WeakPolarHBondContact CG-OE1 3.4Å; R26-E30 PolarHBondContact O-N 3.1Å
27	L	60.8	Low	60.5	Low	105 Å²	105	88.7 Å²	88.7	55%	0.55	42%	0.421	S	S	.	.	H	α-helix	trans	-56.3	-42.4	177.9	-179.8	62.1	0	0	0	111.9	S23 Q24 R29 E30 V31	S23-L27 PolarHBondContact O-N 3.32Å; Q24-L27 PolarHBondContact O-N 3.21Å; L27-R29 PolarHBondContact O-N 2.8Å; L27-E30 PolarHBondContact O-N 3.41Å; L27-V31 HydrophobicContact CD1-CG2 4.12Å; L27-V31 HydrophobicContact CG-CG2 4.43Å; L27-V31 WeakPolarHBondContact O-CG2 3.41Å; L27-V31 PolarHBondContact O-N 2.88Å
28	Y	70.9	Confident	60.3	Low	44 Å²	44	88.8 Å²	88.8	17%	0.173	43%	0.427	C	S	.	.	H	α-helix	trans	-55.9	-48.5	172.8	172	-96.8	0	0	0	112.3	I10 F12 W17 Q24 R26 E30 V31 M32	I10-Y28 HydrophobicContact CB-CE2 4.48Å; I10-Y28 VanDerWaalsContact O-CE2 3.31Å; I10-Y28 WeakPolarHBondContact O-CE2 3.49Å; I10-Y28 PolarHBondContact O-OH 2.89Å; I10-Y28 VanDerWaalsContact O-OH 3.05Å; F12-Y28 AromaticContact CD2-CD2 3.91Å; F12-Y28 HydrophobicContact CD2-CD2 3.91Å; F12-Y28 AromaticContact CD2-CE2 3.72Å; F12-Y28 HydrophobicContact CD2-CE2 3.72Å; F12-Y28 AromaticContact CE2-CD2 3.56Å; F12-Y28 HydrophobicContact CE2-CD2 3.56Å; F12-Y28 AromaticContact CE2-CE2 3.79Å; F12-Y28 HydrophobicContact CE2-CE2 3.79Å; F12-Y28 HydrophobicContact CE2-CG 4.34Å; W17-Y28 AromaticContact CH2-CD1 3.51Å; W17-Y28 HydrophobicContact CH2-CD1 3.51Å; W17-Y28 AromaticContact CH2-CE1 3.83Å; W17-Y28 HydrophobicContact CH2-CE1 3.83Å; W17-Y28 HydrophobicContact CH2-CG 4.27Å; W17-Y28 AromaticContact CZ3-CD1 3.41Å; W17-Y28 HydrophobicContact CZ3-CD1 3.41Å; W17-Y28 VanDerWaalsContact CZ3-CD1 3.41Å; W17-Y28 HydrophobicContact CZ3-CD2 4.46Å; W17-Y28 AromaticContact CZ3-CE1 3.61Å; W17-Y28 HydrophobicContact CZ3-CE1 3.61Å; W17-Y28 AromaticContact CZ3-CG 3.85Å; W17-Y28 HydrophobicContact CZ3-CG 3.85Å; Q24-Y28 WeakPolarHBondContact O-CB 3.44Å; Q24-Y28 PolarHBondContact O-N 2.84Å; R26-Y28 VanDerWaalsContact C-N 3.29Å; R26-Y28 PolarHBondContact O-N 3.35Å; Y28-E30 VanDerWaalsContact C-N 3.34Å; Y28-E30 PolarHBondContact O-N 3.43Å; Y28-V31 PolarHBondContact O-N 2.95Å; Y28-M32 HydrophobicContact CD1-CG 4.25Å; Y28-M32 HydrophobicContact CD2-CG 3.9Å; Y28-M32 HydrophobicContact CE1-CG 4.04Å; Y28-M32 HydrophobicContact CE2-CE 4.46Å; Y28-M32 HydrophobicContact CE2-CG 3.68Å; Y28-M32 HydrophobicContact CE2-SD 4.07Å; Y28-M32 HydrophobicContact CG-CG 4.22Å; Y28-M32 VanDerWaalsContact O-CB 3.31Å; Y28-M32 WeakPolarHBondContact O-CB 3.37Å; Y28-M32 WeakPolarHBondContact O-CG 3.33Å; Y28-M32 PolarHBondContact O-N 2.77Å
29	R	56.8	Low	60.4	Low	142 Å²	142	84.3 Å²	84.3	54%	0.536	41%	0.409	S	S	.	.	H	α-helix	trans	-64.5	-38.1	178.5	-80.2	175.2	-76	-166	-1.8	112.3	K25 R26 L27 W33	K25-R29 PolarHBondContact O-NE 3.26Å; K25-R29 PolarHBondContact O-NH2 3.1Å; K25-R29 VanDerWaalsContact O-NH2 3.15Å; R26-R29 PolarHBondContact O-N 3.2Å; L27-R29 PolarHBondContact O-N 2.8Å; R29-W33 VanDerWaalsContact O-CB 3.26Å; R29-W33 WeakPolarHBondContact O-CB 3.4Å; R29-W33 PolarHBondContact O-N 3.19Å; R29-W33 VanDerWaalsContact O-N 3.07Å
30	E	58.7	Low	60	Low	114 Å²	114	79.7 Å²	79.7	53%	0.533	39%	0.391	S	S	.	.	H	α-helix	trans	-64.5	-46.8	175.7	-69.7	173.6	-172.3	0	0	111.5	R26 L27 Y28 W33 E34	R26-E30 WeakPolarHBondContact CD-OE1 3.3Å; R26-E30 HydrophobicContact CG-CG 4.46Å; R26-E30 VanDerWaalsContact CG-OE1 3.31Å; R26-E30 WeakPolarHBondContact CG-OE1 3.4Å; R26-E30 PolarHBondContact O-N 3.1Å; L27-E30 PolarHBondContact O-N 3.41Å; Y28-E30 VanDerWaalsContact C-N 3.34Å; Y28-E30 PolarHBondContact O-N 3.43Å; E30-W33 PolarHBondContact O-N 2.92Å; E30-E34 PolarHBondContact O-N 3.3Å
31	V	61.3	Low	59.7	Low	56 Å²	56	82.3 Å²	82.3	34%	0.339	41%	0.412	S	S	.	.	H	α-helix	trans	-66.9	-43.5	178.2	171.3	0	0	0	0	112.2	L27 Y28 W33 E34 N35	L27-V31 HydrophobicContact CD1-CG2 4.12Å; L27-V31 HydrophobicContact CG-CG2 4.43Å; L27-V31 WeakPolarHBondContact O-CG2 3.41Å; L27-V31 PolarHBondContact O-N 2.88Å; Y28-V31 PolarHBondContact O-N 2.95Å; V31-W33 VanDerWaalsContact C-N 3.31Å; V31-W33 PolarHBondContact O-N 3.35Å; V31-E34 PolarHBondContact O-N 3.27Å; V31-N35 PolarHBondContact O-N 2.95Å; V31-N35 PolarHBondContact O-OD1 3.35Å
32	M	73.3	Confident	59.4	Low	20 Å²	20	84.8 Å²	84.8	10%	0.099	43%	0.43	C	S	.	.	H	α-helix	trans	-66.7	-34.4	179.8	-68.1	-66.8	-73.7	0	0	112	F5 T9 I10 Y28 Y36	F5-M32 HydrophobicContact CZ-CE 4.1Å; T9-M32 HydrophobicContact CG2-CE 3.63Å; I10-M32 HydrophobicContact CB-SD 4.43Å; Y28-M32 HydrophobicContact CD1-CG 4.25Å; Y28-M32 HydrophobicContact CD2-CG 3.9Å; Y28-M32 HydrophobicContact CE1-CG 4.04Å; Y28-M32 HydrophobicContact CE2-CE 4.46Å; Y28-M32 HydrophobicContact CE2-CG 3.68Å; Y28-M32 HydrophobicContact CE2-SD 4.07Å; Y28-M32 HydrophobicContact CG-CG 4.22Å; Y28-M32 VanDerWaalsContact O-CB 3.31Å; Y28-M32 WeakPolarHBondContact O-CB 3.37Å; Y28-M32 WeakPolarHBondContact O-CG 3.33Å; Y28-M32 PolarHBondContact O-N 2.77Å; M32-Y36 WeakPolarHBondContact O-CB 3.27Å; M32-Y36 PolarHBondContact O-N 2.99Å
33	W	59.3	Low	59.1	Low	138 Å²	138	83.6 Å²	83.6	52%	0.523	41%	0.413	S	S	.	.	H	α-helix	trans	-69.3	-38.6	172.4	-175.3	-94.7	0	0	0	112.5	R29 E30 V31 Y36 T37 F56	R29-W33 VanDerWaalsContact O-CB 3.26Å; R29-W33 WeakPolarHBondContact O-CB 3.4Å; R29-W33 PolarHBondContact O-N 3.19Å; R29-W33 VanDerWaalsContact O-N 3.07Å; E30-W33 PolarHBondContact O-N 2.92Å; V31-W33 VanDerWaalsContact C-N 3.31Å; V31-W33 PolarHBondContact O-N 3.35Å; W33-Y36 PolarHBondContact O-N 3Å; W33-T37 WeakPolarHBondContact O-CB 3.43Å; W33-T37 PolarHBondContact O-N 3.47Å; W33-T37 PolarHBondContact O-OG1 3.23Å; W33-F56 HydrophobicContact CZ3-CB 4.42Å; W33-F56 AromaticContact CZ3-CD1 4Å; W33-F56 HydrophobicContact CZ3-CD1 4Å; W33-F56 HydrophobicContact CZ3-CG 4.3Å
34	E	59.1	Low	58.5	Low	122 Å²	122	87.7 Å²	87.7	57%	0.57	43%	0.428	S	S	*	.	H	α-helix	trans	-64.6	-43.9	173.6	-171.9	167.9	178	0	0	111.1	E30 V31 Y36 T37 N38	E30-E34 PolarHBondContact O-N 3.3Å; V31-E34 PolarHBondContact O-N 3.27Å; E34-Y36 PolarHBondContact O-N 3.02Å; E34-T37 PolarHBondContact O-N 3.15Å; E34-N38 WeakPolarHBondContact O-CB 3.46Å; E34-N38 PolarHBondContact O-N 3.44Å; E34-N38 PolarHBondContact O-ND2 3.39Å; E34-N38 VanDerWaalsContact O-ND2 3.09Å
35	N	60.2	Low	57.6	Low	45 Å²	45	92.1 Å²	92.1	24%	0.241	44%	0.441	C	S	.	.	H	α-helix	trans	-60.2	-45.4	174.1	-75.4	5.2	0	0	0	112.3	F5 V8 V31 N38 V39	F5-N35 HydrophobicContact CE2-CB 4.28Å; V8-N35 HydrophobicContact CB-CB 4.43Å; V8-N35 HydrophobicContact CG2-CB 4.03Å; V8-N35 PolarHBondContact O-ND2 2.97Å; V31-N35 PolarHBondContact O-N 2.95Å; V31-N35 PolarHBondContact O-OD1 3.35Å; N35-N38 PolarHBondContact O-N 2.81Å; N35-V39 PolarHBondContact O-N 2.91Å
36	Y	56.6	Low	56.3	Low	53 Å²	53	96.5 Å²	96.5	21%	0.208	47%	0.467	C	S	.	.	H	α-helix	trans	-59.6	-49	175.7	178.3	-106.8	0	0	0	111.4	F5 M32 W33 E34 N38 V39 M40	F5-Y36 HydrophobicContact CD1-CD2 4.3Å; F5-Y36 HydrophobicContact CD2-CD2 4.04Å; F5-Y36 HydrophobicContact CE1-CD2 4.49Å; F5-Y36 HydrophobicContact CE2-CD2 4.27Å; F5-Y36 HydrophobicContact CE2-CG 4.42Å; F5-Y36 HydrophobicContact CG-CD2 4.07Å; F5-Y36 HydrophobicContact CZ-CD2 4.47Å; M32-Y36 WeakPolarHBondContact O-CB 3.27Å; M32-Y36 PolarHBondContact O-N 2.99Å; W33-Y36 PolarHBondContact O-N 3Å; E34-Y36 PolarHBondContact O-N 3.02Å; Y36-N38 VanDerWaalsContact C-N 3.28Å; Y36-N38 PolarHBondContact O-N 3.3Å; Y36-V39 PolarHBondContact O-N 3.49Å; Y36-M40 HydrophobicContact CD1-CG 4.34Å; Y36-M40 HydrophobicContact CD2-CG 4.23Å; Y36-M40 HydrophobicContact CE1-CG 3.94Å; Y36-M40 HydrophobicContact CE2-CG 3.81Å; Y36-M40 HydrophobicContact CE2-SD 4.14Å; Y36-M40 HydrophobicContact CG-CG 4.47Å; Y36-M40 WeakPolarHBondContact O-CB 3.43Å; Y36-M40 VanDerWaalsContact O-CG 3.29Å; Y36-M40 WeakPolarHBondContact O-CG 3.29Å; Y36-M40 PolarHBondContact O-N 3.13Å
37	T	55.5	Low	55.5	Low	66 Å²	66	98.2 Å²	98.2	41%	0.405	48%	0.479	S	S	.	.	H	α-helix	trans	-60	-39.5	178.4	-54.7	0	0	0	0	111.4	W33 E34 S41	W33-T37 WeakPolarHBondContact O-CB 3.43Å; W33-T37 PolarHBondContact O-N 3.47Å; W33-T37 PolarHBondContact O-OG1 3.23Å; E34-T37 PolarHBondContact O-N 3.15Å; T37-S41 WeakPolarHBondContact O-CB 3.23Å; T37-S41 PolarHBondContact O-N 3.4Å; T37-S41 VanDerWaalsContact O-N 3.11Å
38	N	62.7	Low	54.4	Low	80 Å²	80	97.9 Å²	97.9	43%	0.428	49%	0.485	S	S	.	.	H	α-helix	trans	-67.5	-47.4	178.6	-73.3	-30.7	0	0	0	112.1	E34 N35 Y36 M40 S41 V42	E34-N38 WeakPolarHBondContact O-CB 3.46Å; E34-N38 PolarHBondContact O-N 3.44Å; E34-N38 PolarHBondContact O-ND2 3.39Å; E34-N38 VanDerWaalsContact O-ND2 3.09Å; N35-N38 PolarHBondContact O-N 2.81Å; Y36-N38 VanDerWaalsContact C-N 3.28Å; Y36-N38 PolarHBondContact O-N 3.3Å; N38-M40 PolarHBondContact O-N 2.86Å; N38-S41 WeakPolarHBondContact O-CB 3.19Å; N38-S41 PolarHBondContact O-N 3.47Å; N38-S41 PolarHBondContact O-OG 3.43Å; N38-V42 WeakPolarHBondContact O-CG2 3.38Å; N38-V42 PolarHBondContact O-N 3.18Å
39	V	59.1	Low	53.1	Low	26 Å²	26	102.6 Å²	102.6	16%	0.158	50%	0.503	C	S	.	.	H	α-helix	trans	-59	-47.7	175.1	169.7	0	0	0	0	111	V8 N35 Y36 S41 V42	V8-V39 HydrophobicContact CG1-CG2 4.34Å; V8-V39 HydrophobicContact CG2-CG2 3.59Å; N35-V39 PolarHBondContact O-N 2.91Å; Y36-V39 PolarHBondContact O-N 3.49Å; V39-S41 PolarHBondContact O-N 3.24Å; V39-S41 VanDerWaalsContact O-N 3.08Å; V39-V42 PolarHBondContact O-N 3.27Å
40	M	52.6	Low	52.1	Low	84 Å²	84	104.8 Å²	104.8	41%	0.414	52%	0.517	S	S	.	.	H	α-helix	trans	-62.5	-14.5	176.2	-68.8	-60.8	-58.5	0	0	114.1	Y36 N38	Y36-M40 HydrophobicContact CD1-CG 4.34Å; Y36-M40 HydrophobicContact CD2-CG 4.23Å; Y36-M40 HydrophobicContact CE1-CG 3.94Å; Y36-M40 HydrophobicContact CE2-CG 3.81Å; Y36-M40 HydrophobicContact CE2-SD 4.14Å; Y36-M40 HydrophobicContact CG-CG 4.47Å; Y36-M40 WeakPolarHBondContact O-CB 3.43Å; Y36-M40 VanDerWaalsContact O-CG 3.29Å; Y36-M40 WeakPolarHBondContact O-CG 3.29Å; Y36-M40 PolarHBondContact O-N 3.13Å; N38-M40 PolarHBondContact O-N 2.86Å
41	S	58.8	Low	51.1	Low	86 Å²	86	102.3 Å²	102.3	60%	0.601	51%	0.512	S	S	*	.	H	α-helix	trans	-93.4	-12.9	176.2	79.3	0	0	0	0	114.4	T37 N38 V39	T37-S41 WeakPolarHBondContact O-CB 3.23Å; T37-S41 PolarHBondContact O-N 3.4Å; T37-S41 VanDerWaalsContact O-N 3.11Å; N38-S41 WeakPolarHBondContact O-CB 3.19Å; N38-S41 PolarHBondContact O-N 3.47Å; N38-S41 PolarHBondContact O-OG 3.43Å; V39-S41 PolarHBondContact O-N 3.24Å; V39-S41 VanDerWaalsContact O-N 3.08Å
42	V	55.4	Low	50	Low	124 Å²	124	103.2 Å²	103.2	75%	0.752	51%	0.513	S	S	*	.	H	α-helix	trans	-93.6	-31.1	-177.2	171.4	0	0	0	0	111.6	N38 V39	N38-V42 WeakPolarHBondContact O-CG2 3.38Å; N38-V42 PolarHBondContact O-N 3.18Å; V39-V42 PolarHBondContact O-N 3.27Å
43	E	44.8	Very low	48.4	Very low	75 Å²	75	108.2 Å²	108.2	35%	0.35	54%	0.536	S	S	.	.	S	Bend	trans	-92.6	132.8	174.3	-61.1	-135.4	145.8	0	0	112.4	A2 W45	A2-E43 VanDerWaalsContact CB-OE1 3.32Å; A2-E43 WeakPolarHBondContact CB-OE1 3.26Å; E43-W45 HydrophobicContact CB-CG 4.42Å; E43-W45 PolarHBondContact O-N 3.26Å; E43-W45 PolarHBondContact OE2-NE1 3.39Å
44	N	43	Very low	47.4	Very low	171 Å²	171	106.8 Å²	106.8	91%	0.914	54%	0.535	S	S	*	.			trans	-83.9	50.8	-177.6	-148.7	4	0	0	0	111.5
45	W	40	Very low	46.2	Very low	184 Å²	184	107.9 Å²	107.9	70%	0.697	54%	0.538	S	S	*	.			trans	-71.5	136.6	-174	-91.4	20.5	0	0	0	113	E43	E43-W45 HydrophobicContact CB-CG 4.42Å; E43-W45 PolarHBondContact O-N 3.26Å; E43-W45 PolarHBondContact OE2-NE1 3.39Å
46	N	35.7	Very low	45.1	Very low	134 Å²	134	109.4 Å²	109.4	72%	0.717	54%	0.542	S	S	*	.			trans	-109.2	114	-163.8	-154.6	-6.8	0	0	0	112.2
47	K	40.9	Very low	44.1	Very low	194 Å²	194	113.3 Å²	113.3	84%	0.843	56%	0.557	S	S	*	*	S	Bend	trans	39.2	78.8	154.6	-61.8	172.1	-174.1	175	0	118.1
48	S	37.3	Very low	43	Very low	97 Å²	97	119.4 Å²	119.4	68%	0.678	57%	0.574	S	S	*	*			trans	-150.7	-3.1	156.9	-147.4	0	0	0	0	117.4
49	Y	43.5	Very low	41.9	Very low	143 Å²	143	118 Å²	118	56%	0.561	57%	0.566	S	S	*	*			trans	-122.8	45.5	-161.5	-83.5	-63.5	0	0	0	117.9	S51 Q52	Y49-S51 PolarHBondContact O-N 3.37Å; Y49-Q52 HydrophobicContact CD1-CB 4.06Å; Y49-Q52 VanDerWaalsContact CD1-CD 3.48Å; Y49-Q52 HydrophobicContact CD1-CG 3.53Å; Y49-Q52 HydrophobicContact CE1-CG 4Å; Y49-Q52 HydrophobicContact CG-CB 4.43Å; Y49-Q52 HydrophobicContact CG-CG 4.18Å; Y49-Q52 VanDerWaalsContact CG-OE1 3.32Å; Y49-Q52 PolarHBondContact O-N 2.8Å
50	K	35.7	Very low	40.7	Very low	188 Å²	188	124.6 Å²	124.6	82%	0.817	60%	0.595	S	S	*	*	H	α-helix	trans	-55.8	-31.5	162.1	-95.9	-172.3	171.9	-176	0	112.7
51	S	37.8	Very low	39.9	Very low	63 Å²	63	130.2 Å²	130.2	44%	0.441	61%	0.613	S	S	.	*	H	α-helix	trans	-75.1	-21	-178.5	53.4	0	0	0	0	115.1	Y49 K55	Y49-S51 PolarHBondContact O-N 3.37Å; S51-K55 PolarHBondContact O-N 3.05Å
52	Q	38.3	Very low	39.1	Very low	75 Å²	75	135 Å²	135	35%	0.35	63%	0.626	S	S	.	*	H	α-helix	trans	-79.2	-35.8	174.9	-88.7	177.7	-22.1	0	0	112	Y49 E54 K55 F56	Y49-Q52 HydrophobicContact CD1-CB 4.06Å; Y49-Q52 VanDerWaalsContact CD1-CD 3.48Å; Y49-Q52 HydrophobicContact CD1-CG 3.53Å; Y49-Q52 HydrophobicContact CE1-CG 4Å; Y49-Q52 HydrophobicContact CG-CB 4.43Å; Y49-Q52 HydrophobicContact CG-CG 4.18Å; Y49-Q52 VanDerWaalsContact CG-OE1 3.32Å; Y49-Q52 PolarHBondContact O-N 2.8Å; Q52-E54 PolarHBondContact O-N 2.93Å; Q52-K55 PolarHBondContact O-N 3.45Å; Q52-F56 PolarHBondContact O-N 3.5Å
53	E	40.3	Very low	38.7	Very low	125 Å²	125	133.5 Å²	133.5	58%	0.584	61%	0.614	S	S	*	*	H	α-helix	trans	-66	-26.3	173.6	-158	-166.5	-117.7	0	0	111.8	R57	E53-R57 PolarHBondContact O-N 2.81Å; E53-R57 PolarHBondContact O-NE 3.09Å; E53-R57 IonicContact OE2-CZ 3.72Å; E53-R57 IonicContact OE2-NH2 3.75Å; E53-R57 PolarHBondContact OE2-NH2 3.16Å
54	E	37.4	Very low	38.5	Very low	108 Å²	108	134.5 Å²	134.5	51%	0.505	62%	0.617	S	S	.	*	H	α-helix	trans	-75.8	-45.8	168.4	-68.2	179.2	129.6	0	0	112	Q52 F56 R57 Y58	Q52-E54 PolarHBondContact O-N 2.93Å; E54-F56 VanDerWaalsContact C-N 3.28Å; E54-F56 PolarHBondContact O-N 3.41Å; E54-R57 PolarHBondContact O-N 2.9Å; E54-R57 VanDerWaalsContact O-N 3.09Å; E54-Y58 WeakPolarHBondContact O-CD2 3.44Å; E54-Y58 PolarHBondContact O-N 3.19Å; E54-Y58 VanDerWaalsContact O-N 3.13Å
55	K	35.8	Very low	38.4	Very low	145 Å²	145	129.9 Å²	129.9	63%	0.63	60%	0.598	S	S	*	*	H	α-helix	trans	-55	-41	173.9	-86.5	-173.9	171.1	-177.3	0	112.7	S51 Q52 Y58	S51-K55 PolarHBondContact O-N 3.05Å; Q52-K55 PolarHBondContact O-N 3.45Å; K55-Y58 PolarHBondContact O-N 2.95Å
56	F	37.1	Very low	38.2	Very low	77 Å²	77	124.1 Å²	124.1	34%	0.338	59%	0.585	S	S	.	*	H	α-helix	trans	-71.8	-33	176.2	-98	-79.9	0	0	0	113.4	W33 Q52 E54 Y58 L59	W33-F56 HydrophobicContact CZ3-CB 4.42Å; W33-F56 AromaticContact CZ3-CD1 4Å; W33-F56 HydrophobicContact CZ3-CD1 4Å; W33-F56 HydrophobicContact CZ3-CG 4.3Å; Q52-F56 PolarHBondContact O-N 3.5Å; E54-F56 VanDerWaalsContact C-N 3.28Å; E54-F56 PolarHBondContact O-N 3.41Å; F56-Y58 VanDerWaalsContact C-N 3.29Å; F56-Y58 PolarHBondContact O-N 2.94Å; F56-L59 HydrophobicContact CD1-CD1 3.97Å; F56-L59 HydrophobicContact CE1-CD1 4.09Å; F56-L59 WeakPolarHBondContact O-CB 3.34Å; F56-L59 PolarHBondContact O-N 2.97Å
57	R	34	Very low	38.4	Very low	134 Å²	134	122.3 Å²	122.3	51%	0.506	57%	0.568	S	S	.	*	H	α-helix	trans	-63.8	-32.1	172.9	-104.2	178.4	-80	168.2	-9.5	113.2	E53 E54 L59 E60	E53-R57 PolarHBondContact O-N 2.81Å; E53-R57 PolarHBondContact O-NE 3.09Å; E53-R57 IonicContact OE2-CZ 3.72Å; E53-R57 IonicContact OE2-NH2 3.75Å; E53-R57 PolarHBondContact OE2-NH2 3.16Å; E54-R57 PolarHBondContact O-N 2.9Å; E54-R57 VanDerWaalsContact O-N 3.09Å; R57-L59 PolarHBondContact O-N 2.79Å; R57-E60 PolarHBondContact O-N 2.82Å
58	Y	33.1	Very low	38.3	Very low	195 Å²	195	115.8 Å²	115.8	77%	0.765	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-68.1	-14.1	172	-82.8	-75.5	0	0	0	114.1	E54 K55 F56	E54-Y58 WeakPolarHBondContact O-CD2 3.44Å; E54-Y58 PolarHBondContact O-N 3.19Å; E54-Y58 VanDerWaalsContact O-N 3.13Å; K55-Y58 PolarHBondContact O-N 2.95Å; F56-Y58 VanDerWaalsContact C-N 3.29Å; F56-Y58 PolarHBondContact O-N 2.94Å
59	L	38.7	Very low	38.4	Very low	51 Å²	51	113.1 Å²	113.1	27%	0.267	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-88	2.1	175.2	-61.6	172.9	0	0	0	113.7	F56 R57 Y61 F64	F56-L59 HydrophobicContact CD1-CD1 3.97Å; F56-L59 HydrophobicContact CE1-CD1 4.09Å; F56-L59 WeakPolarHBondContact O-CB 3.34Å; F56-L59 PolarHBondContact O-N 2.97Å; R57-L59 PolarHBondContact O-N 2.79Å; L59-Y61 PolarHBondContact O-N 2.9Å; L59-F64 HydrophobicContact CB-CE2 4.35Å; L59-F64 HydrophobicContact CD1-CE2 4.28Å
60	E	35.2	Very low	38	Very low	164 Å²	164	115.3 Å²	115.3	77%	0.766	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-72.1	-14.3	171	-70.8	-165.6	108.9	0	0	113.2	R57	R57-E60 PolarHBondContact O-N 2.82Å
61	Y	35.1	Very low	38	Very low	202 Å²	202	112.8 Å²	112.8	79%	0.792	52%	0.522	S	S	*	.	S	Bend	trans	-92.7	147.8	175.4	-83.8	-91.5	0	0	0	113.1	L59 N63	L59-Y61 PolarHBondContact O-N 2.9Å; Y61-N63 PolarHBondContact O-N 2.88Å
62	E	41.2	Very low	37.9	Very low	187 Å²	187	113.9 Å²	113.9	87%	0.874	52%	0.523	S	S	*	.	S	Bend	trans	-69.5	94.6	-166.2	-58.4	-176.9	129.9	0	0	113.7
63	N	47.3	Very low	37.8	Very low	92 Å²	92	112.6 Å²	112.6	49%	0.492	53%	0.525	S	S	.	.			trans	-169.7	48.3	149.4	-103.8	-33.1	0	0	0	115.2	Y61 S65 C66	Y61-N63 PolarHBondContact O-N 2.88Å; N63-S65 PolarHBondContact O-N 3.3Å; N63-S65 VanDerWaalsContact O-N 3.08Å; N63-S65 PolarHBondContact OD1-OG 3.07Å; N63-C66 PolarHBondContact O-N 3.41Å
64	F	41.4	Very low	37.3	Very low	95 Å²	95	108.1 Å²	108.1	42%	0.417	51%	0.512	S	S	.	.	H	α-helix	trans	-60.3	-19.7	178	-139.4	-91	0	0	0	114.1	L59 C66 W67 Q68	L59-F64 HydrophobicContact CB-CE2 4.35Å; L59-F64 HydrophobicContact CD1-CE2 4.28Å; F64-C66 PolarHBondContact O-N 3.2Å; F64-W67 HydrophobicContact CD1-CE3 4.06Å; F64-W67 HydrophobicContact CE1-CD2 4.41Å; F64-W67 AromaticContact CE1-CE3 3.42Å; F64-W67 HydrophobicContact CE1-CE3 3.42Å; F64-W67 VanDerWaalsContact CE1-CE3 3.42Å; F64-W67 AromaticContact CE1-CZ3 3.66Å; F64-W67 HydrophobicContact CE1-CZ3 3.66Å; F64-W67 HydrophobicContact CZ-CD2 4.45Å; F64-W67 AromaticContact CZ-CE3 3.76Å; F64-W67 HydrophobicContact CZ-CE3 3.76Å; F64-W67 AromaticContact CZ-CZ3 3.9Å; F64-W67 HydrophobicContact CZ-CZ3 3.9Å; F64-W67 PolarHBondContact O-N 3.23Å; F64-Q68 PolarHBondContact O-N 3.32Å
65	S	40.1	Very low	37	Very low	75 Å²	75	105 Å²	105	52%	0.524	51%	0.505	S	S	.	.	H	α-helix	trans	-58.1	-41.5	174.6	45.1	0	0	0	0	113.5	N63 G69	N63-S65 PolarHBondContact O-N 3.3Å; N63-S65 VanDerWaalsContact O-N 3.08Å; N63-S65 PolarHBondContact OD1-OG 3.07Å; S65-G69 PolarHBondContact O-N 2.96Å; S65-G69 VanDerWaalsContact O-N 3.12Å
66	C	37	Very low	36.8	Very low	62 Å²	62	104.5 Å²	104.5	42%	0.419	51%	0.505	S	S	.	.	H	α-helix	trans	-72.4	-37.1	179.9	-168	0	0	0	0	111.3	N63 F64 G69 W70	N63-C66 PolarHBondContact O-N 3.41Å; F64-C66 PolarHBondContact O-N 3.2Å; C66-G69 PolarHBondContact O-N 2.95Å; C66-W70 PolarHBondContact O-N 3.47Å
67	W	38.5	Very low	36.4	Very low	96 Å²	96	108.6 Å²	108.6	36%	0.364	53%	0.527	S	S	.	.	H	α-helix	trans	-65.2	-47.3	176.8	-173.2	82.8	0	0	0	111.5	F64 G69 W70 W71	F64-W67 HydrophobicContact CD1-CE3 4.06Å; F64-W67 HydrophobicContact CE1-CD2 4.41Å; F64-W67 AromaticContact CE1-CE3 3.42Å; F64-W67 HydrophobicContact CE1-CE3 3.42Å; F64-W67 VanDerWaalsContact CE1-CE3 3.42Å; F64-W67 AromaticContact CE1-CZ3 3.66Å; F64-W67 HydrophobicContact CE1-CZ3 3.66Å; F64-W67 HydrophobicContact CZ-CD2 4.45Å; F64-W67 AromaticContact CZ-CE3 3.76Å; F64-W67 HydrophobicContact CZ-CE3 3.76Å; F64-W67 AromaticContact CZ-CZ3 3.9Å; F64-W67 HydrophobicContact CZ-CZ3 3.9Å; F64-W67 PolarHBondContact O-N 3.23Å; W67-G69 VanDerWaalsContact C-N 3.31Å; W67-G69 PolarHBondContact O-N 3.19Å; W67-W70 PolarHBondContact O-N 3.33Å; W67-W71 HydrophobicContact CH2-CD2 4.28Å; W67-W71 AromaticContact CH2-CE3 3.74Å; W67-W71 HydrophobicContact CH2-CE3 3.74Å; W67-W71 HydrophobicContact CH2-CZ3 4.06Å; W67-W71 HydrophobicContact CZ2-CD2 4.47Å; W67-W71 AromaticContact CZ2-CE3 3.53Å; W67-W71 HydrophobicContact CZ2-CE3 3.53Å; W67-W71 AromaticContact CZ2-CZ3 3.75Å; W67-W71 HydrophobicContact CZ2-CZ3 3.75Å; W67-W71 WeakPolarHBondContact O-CB 3.45Å; W67-W71 PolarHBondContact O-N 3.01Å
68	Q	40.4	Very low	36.3	Very low	57 Å²	57	106.9 Å²	106.9	27%	0.266	54%	0.535	S	S	.	.	H	α-helix	trans	-61.8	-38.5	176.1	-152.5	80	36.5	0	0	112.1	F64 W71 N72	F64-Q68 PolarHBondContact O-N 3.32Å; Q68-W71 PolarHBondContact O-N 3.04Å; Q68-N72 VanDerWaalsContact O-CG 3.31Å; Q68-N72 PolarHBondContact O-N 3.26Å; Q68-N72 PolarHBondContact O-OD1 2.96Å
69	G	37.7	Very low	36.2	Very low	42 Å²	42	105.3 Å²	105.3	43%	0.433	53%	0.534	S	S	.	.	H	α-helix	trans	-64.8	-41.9	176.1	0	0	0	0	0	113.3	S65 C66 W67 A73	S65-G69 PolarHBondContact O-N 2.96Å; S65-G69 VanDerWaalsContact O-N 3.12Å; C66-G69 PolarHBondContact O-N 2.95Å; W67-G69 VanDerWaalsContact C-N 3.31Å; W67-G69 PolarHBondContact O-N 3.19Å; G69-A73 WeakPolarHBondContact O-CB 3.27Å; G69-A73 PolarHBondContact O-N 3.38Å; G69-A73 VanDerWaalsContact O-N 3.12Å
70	W	36	Very low	35.8	Very low	189 Å²	189	109.2 Å²	109.2	72%	0.716	56%	0.555	S	S	*	*	H	α-helix	trans	-71.4	-34.2	174.9	-110.3	72	0	0	0	113	C66 W67 A73 G74	C66-W70 PolarHBondContact O-N 3.47Å; W67-W70 PolarHBondContact O-N 3.33Å; W70-A73 PolarHBondContact O-N 3.21Å; W70-G74 PolarHBondContact O-N 3.21Å
71	W	36.1	Very low	35.7	Very low	135 Å²	135	109.8 Å²	109.8	51%	0.511	56%	0.558	S	S	.	*	H	α-helix	trans	-62.3	-47.7	174.2	-170.1	-80.1	0	0	0	111.3	W67 Q68 A73 G74 A75	W67-W71 HydrophobicContact CH2-CD2 4.28Å; W67-W71 AromaticContact CH2-CE3 3.74Å; W67-W71 HydrophobicContact CH2-CE3 3.74Å; W67-W71 HydrophobicContact CH2-CZ3 4.06Å; W67-W71 HydrophobicContact CZ2-CD2 4.47Å; W67-W71 AromaticContact CZ2-CE3 3.53Å; W67-W71 HydrophobicContact CZ2-CE3 3.53Å; W67-W71 AromaticContact CZ2-CZ3 3.75Å; W67-W71 HydrophobicContact CZ2-CZ3 3.75Å; W67-W71 WeakPolarHBondContact O-CB 3.45Å; W67-W71 PolarHBondContact O-N 3.01Å; Q68-W71 PolarHBondContact O-N 3.04Å; W71-A73 VanDerWaalsContact C-N 3.34Å; W71-A73 PolarHBondContact O-N 3.43Å; W71-G74 PolarHBondContact O-N 3.11Å; W71-A75 PolarHBondContact O-N 3.36Å
72	N	36.3	Very low	35.4	Very low	86 Å²	86	106.3 Å²	106.3	46%	0.46	55%	0.553	S	S	.	*	H	α-helix	trans	-64.9	-37	178.2	-69	5.1	0	0	0	112.2	Q68 Q76	Q68-N72 VanDerWaalsContact O-CG 3.31Å; Q68-N72 PolarHBondContact O-N 3.26Å; Q68-N72 PolarHBondContact O-OD1 2.96Å; N72-Q76 PolarHBondContact O-N 3.44Å
73	A	34.1	Very low	34.8	Very low	47 Å²	47	108 Å²	108	39%	0.388	55%	0.553	S	S	.	*	H	α-helix	trans	-66.5	-43.3	173.4	0	0	0	0	0	112	G69 W70 W71 Q76 M77	G69-A73 WeakPolarHBondContact O-CB 3.27Å; G69-A73 PolarHBondContact O-N 3.38Å; G69-A73 VanDerWaalsContact O-N 3.12Å; W70-A73 PolarHBondContact O-N 3.21Å; W71-A73 VanDerWaalsContact C-N 3.34Å; W71-A73 PolarHBondContact O-N 3.43Å; A73-Q76 PolarHBondContact O-N 3.49Å; A73-M77 WeakPolarHBondContact O-CG 3.28Å; A73-M77 PolarHBondContact O-N 3.32Å
74	G	31.2	Very low	34.1	Very low	31 Å²	31	107.4 Å²	107.4	32%	0.32	57%	0.569	S	S	.	*	H	α-helix	trans	-62.7	-41.1	177.1	0	0	0	0	0	113	W70 W71 Q76 M77 C78	W70-G74 PolarHBondContact O-N 3.21Å; W71-G74 PolarHBondContact O-N 3.11Å; G74-Q76 PolarHBondContact O-N 3.23Å; G74-M77 PolarHBondContact O-N 2.9Å; G74-M77 VanDerWaalsContact O-N 3.09Å; G74-C78 PolarHBondContact O-N 2.81Å
75	A	31.4	Very low	33.4	Very low	44 Å²	44	111.6 Å²	111.6	36%	0.364	59%	0.59	S	S	.	*	H	α-helix	trans	-58	-46	174.7	0	0	0	0	0	111.9	W71 M77 C78 E79	W71-A75 PolarHBondContact O-N 3.36Å; A75-M77 PolarHBondContact O-N 3.18Å; A75-C78 PolarHBondContact O-N 3.35Å; A75-E79 PolarHBondContact O-N 3.02Å
76	Q	31.2	Very low	32.7	Very low	134 Å²	134	114.4 Å²	114.4	63%	0.626	60%	0.604	S	S	*	*	H	α-helix	trans	-64	-23.7	176.3	-71.8	-177.3	-20.3	0	0	113.8	N72 A73 G74	N72-Q76 PolarHBondContact O-N 3.44Å; A73-Q76 PolarHBondContact O-N 3.49Å; G74-Q76 PolarHBondContact O-N 3.23Å
77	M	28.5	Very low	32.2	Very low	163 Å²	163	118 Å²	118	80%	0.803	62%	0.624	S	S	*	*	H	α-helix	trans	-80.9	-18.7	172.6	-62.1	-167.8	84.8	0	0	113.2	A73 G74 A75	A73-M77 WeakPolarHBondContact O-CG 3.28Å; A73-M77 PolarHBondContact O-N 3.32Å; G74-M77 PolarHBondContact O-N 2.9Å; G74-M77 VanDerWaalsContact O-N 3.09Å; A75-M77 PolarHBondContact O-N 3.18Å
78	C	32	Very low	31.7	Very low	98 Å²	98	121.3 Å²	121.3	66%	0.662	64%	0.644	S	S	*	*	H	α-helix	trans	-88.4	-29.4	176	-72.7	0	0	0	0	113.6	G74 A75	G74-C78 PolarHBondContact O-N 2.81Å; A75-C78 PolarHBondContact O-N 3.35Å
79	E	31	Very low	31.1	Very low	161 Å²	161	121.8 Å²	121.8	75%	0.752	66%	0.664	S	S	*	*	H	α-helix	trans	-74.3	-30.8	179.8	-69.7	-174.1	126.1	0	0	113.4	A75 Q81	A75-E79 PolarHBondContact O-N 3.02Å; E79-Q81 PolarHBondContact O-N 3.48Å; E79-Q81 VanDerWaalsContact O-N 3.11Å
80	N	30.7	Very low	30.6	Very low	133 Å²	133	129 Å²	129	71%	0.711	68%	0.683	S	S	*	*			trans	-88.7	63.4	-177.7	-77.8	-40.8	0	0	0	113.6	N82	N80-N82 PolarHBondContact O-N 2.89Å
81	Q	33.4	Very low	30.3	Very low	176 Å²	176	125 Å²	125	82%	0.822	68%	0.68	S	S	*	*			trans	-77.3	50.3	165.8	-70.8	-162.4	-3.3	0	0	113.1	E79	E79-Q81 PolarHBondContact O-N 3.48Å; E79-Q81 VanDerWaalsContact O-N 3.11Å
82	N	28.9	Very low	29.9	Very low	130 Å²	130	121.9 Å²	121.9	70%	0.695	68%	0.679	S	S	*	*	S	Bend	trans	-164.7	140.1	159.6	-114.8	-43.5	0	0	0	114.2	N80	N80-N82 PolarHBondContact O-N 2.89Å
83	Y	27.2	Very low	29.6	Very low	221 Å²	221	126.7 Å²	126.7	87%	0.867	70%	0.695	S	S	*	*			trans	58.2	131.2	178.6	-68.4	-84.7	0	0	0	117.3
84	G	33.1	Very low	29.5	Very low	81 Å²	81	131.1 Å²	131.1	84%	0.835	71%	0.712	S	S	*	*			trans	-95.6	117.1	-174.9	0	0	0	0	0	113.2
85	E	26.3	Very low	29.6	Very low	182 Å²	182	133.4 Å²	133.4	85%	0.85	72%	0.717	S	S	*	*			trans	-126.1	147.3	160.1	-71.1	-159.8	140.7	0	0	111	V87	E85-V87 PolarHBondContact O-N 3.3Å; E85-V87 VanDerWaalsContact O-N 3.09Å
86	T	26.1	Very low	29.9	Very low	135 Å²	135	135.2 Å²	135.2	83%	0.828	72%	0.723	S	S	*	*			trans	-82.4	88.6	-174.2	-51.6	0	0	0	0	111.5	Q88	T86-Q88 PolarHBondContact O-N 3.38Å
87	V	26.5	Very low	30	Very low	138 Å²	138	137.3 Å²	137.3	84%	0.836	73%	0.733	S	S	*	*			trans	-65.5	99.5	-179.8	-176.2	0	0	0	0	111.7	E85 G89	E85-V87 PolarHBondContact O-N 3.3Å; E85-V87 VanDerWaalsContact O-N 3.09Å; V87-G89 PolarHBondContact O-N 3.19Å
88	Q	27.6	Very low	30.2	Very low	164 Å²	164	136.2 Å²	136.2	77%	0.766	73%	0.726	S	S	*	*			trans	-76.1	83	175.2	-71.7	-166.3	-1.5	0	0	112.5	T86 K90	T86-Q88 PolarHBondContact O-N 3.38Å; Q88-K90 PolarHBondContact O-N 2.43Å
89	G	28.3	Very low	30.2	Very low	67 Å²	67	133.7 Å²	133.7	69%	0.691	71%	0.706	S	S	*	*			trans	-64.9	96.9	171.6	0	0	0	0	0	112.9	V87 V91	V87-G89 PolarHBondContact O-N 3.19Å; G89-V91 PolarHBondContact O-N 2.91Å; G89-V91 VanDerWaalsContact O-N 3.14Å
90	K	26.4	Very low	30.3	Very low	193 Å²	193	131.6 Å²	131.6	84%	0.839	69%	0.691	S	S	*	*			trans	-70.7	104	171.8	-75.3	177.7	-179.1	166.4	0	110.7	Q88 S92	Q88-K90 PolarHBondContact O-N 2.43Å; K90-S92 PolarHBondContact O-N 2.65Å
91	V	29.4	Very low	30.5	Very low	106 Å²	106	128.1 Å²	128.1	64%	0.642	68%	0.677	S	S	*	*			trans	-57	129.6	167	179.8	0	0	0	0	109.3	G89 L95	G89-V91 PolarHBondContact O-N 2.91Å; G89-V91 VanDerWaalsContact O-N 3.14Å; V91-L95 HydrophobicContact CG1-CD1 3.77Å
92	S	29.1	Very low	30.5	Very low	70 Å²	70	124.7 Å²	124.7	49%	0.49	66%	0.661	S	S	.	*			trans	-59.9	155.9	-177.7	-160.8	0	0	0	0	112.5	K90 D94 R100	K90-S92 PolarHBondContact O-N 2.65Å; S92-D94 PolarHBondContact O-N 3.23Å; S92-D94 PolarHBondContact OG-OD2 3.15Å; S92-R100 PolarHBondContact O-NH2 3.47Å
93	K	29.6	Very low	30.8	Very low	186 Å²	186	121.4 Å²	121.4	81%	0.809	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-21.6	177.6	-70.6	-174.7	175.9	-179.1	0	112.6	L95	K93-L95 VanDerWaalsContact C-N 3.32Å; K93-L95 PolarHBondContact O-N 3.24Å
94	D	30.7	Very low	31.1	Very low	140 Å²	140	117.2 Å²	117.2	75%	0.749	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	28.8	-165.6	-36.8	-63.6	0	0	0	114.3	S92	S92-D94 PolarHBondContact O-N 3.23Å; S92-D94 PolarHBondContact OG-OD2 3.15Å
95	L	34.2	Very low	31	Very low	79 Å²	79	120.1 Å²	120.1	41%	0.414	63%	0.626	S	S	.	*	S	Bend	trans	-97.3	132.6	167.3	-75.4	171.6	0	0	0	109.2	V91 K93 D99 R100	V91-L95 HydrophobicContact CG1-CD1 3.77Å; K93-L95 VanDerWaalsContact C-N 3.32Å; K93-L95 PolarHBondContact O-N 3.24Å; L95-D99 HydrophobicContact CD2-CB 4.26Å; L95-R100 HydrophobicContact CB-CG 4.26Å
96	T	38	Very low	31.2	Very low	82 Å²	82	120 Å²	120	50%	0.503	62%	0.618	S	S	.	*			trans	-68.4	159.6	179.7	79.1	0	0	0	0	110.6	Q98 D99 R100	T96-Q98 PolarHBondContact O-N 3.05Å; T96-Q98 VanDerWaalsContact O-N 3.17Å; T96-Q98 PolarHBondContact OG1-N 2.94Å; T96-D99 WeakPolarHBondContact CA-OD2 3.2Å; T96-D99 VanDerWaalsContact CB-OD2 3.25Å; T96-D99 WeakPolarHBondContact CB-OD2 3.25Å; T96-D99 WeakPolarHBondContact CG2-OD2 3.32Å; T96-D99 PolarHBondContact N-OD2 3.37Å; T96-D99 PolarHBondContact O-N 3.44Å; T96-D99 VanDerWaalsContact O-N 3.13Å; T96-D99 PolarHBondContact OG1-N 2.88Å; T96-D99 PolarHBondContact OG1-OD2 3.35Å; T96-R100 PolarHBondContact O-N 2.99Å
97	Q	33.1	Very low	31.3	Very low	179 Å²	179	117.9 Å²	117.9	84%	0.836	60%	0.601	S	S	*	*	H	α-helix	trans	-62.3	-24.7	179.7	-164.4	169.5	5.3	0	0	112.4	S101	Q97-S101 PolarHBondContact O-N 3.03Å
98	Q	32.9	Very low	31.5	Very low	139 Å²	139	117.2 Å²	117.2	65%	0.65	59%	0.591	S	S	*	*	H	α-helix	trans	-73.6	-40.8	175.6	-172.1	166.2	-23	0	0	112	T96 S101 Q102	T96-Q98 PolarHBondContact O-N 3.05Å; T96-Q98 VanDerWaalsContact O-N 3.17Å; T96-Q98 PolarHBondContact OG1-N 2.94Å; Q98-S101 WeakPolarHBondContact O-CB 3.5Å; Q98-S101 PolarHBondContact O-N 3.3Å; Q98-Q102 PolarHBondContact O-N 2.95Å
99	D	31.7	Very low	31.6	Very low	46 Å²	46	115.1 Å²	115.1	25%	0.246	59%	0.585	C	S	.	*	H	α-helix	trans	-64.1	-45.7	177.7	-52.9	-50.3	0	0	0	111.3	L95 T96 S101 Q102 C103	L95-D99 HydrophobicContact CD2-CB 4.26Å; T96-D99 WeakPolarHBondContact CA-OD2 3.2Å; T96-D99 VanDerWaalsContact CB-OD2 3.25Å; T96-D99 WeakPolarHBondContact CB-OD2 3.25Å; T96-D99 WeakPolarHBondContact CG2-OD2 3.32Å; T96-D99 PolarHBondContact N-OD2 3.37Å; T96-D99 PolarHBondContact O-N 3.44Å; T96-D99 VanDerWaalsContact O-N 3.13Å; T96-D99 PolarHBondContact OG1-N 2.88Å; T96-D99 PolarHBondContact OG1-OD2 3.35Å; D99-S101 VanDerWaalsContact C-N 3.27Å; D99-S101 PolarHBondContact O-N 3.41Å; D99-Q102 PolarHBondContact O-N 2.83Å; D99-Q102 VanDerWaalsContact O-N 3.12Å; D99-C103 PolarHBondContact O-N 2.94Å; D99-C103 PolarHBondContact O-SG 3.14Å
100	R	33.1	Very low	31.6	Very low	117 Å²	117	115.1 Å²	115.1	44%	0.442	57%	0.574	S	S	.	*	H	α-helix	trans	-59	-38.7	177.3	-69.8	-174.9	176.5	-174.3	-1.8	112.1	S92 L95 T96 C103 Q104	S92-R100 PolarHBondContact O-NH2 3.47Å; L95-R100 HydrophobicContact CB-CG 4.26Å; T96-R100 PolarHBondContact O-N 2.99Å; R100-C103 PolarHBondContact O-N 3.35Å; R100-Q104 WeakPolarHBondContact O-CG 3.41Å; R100-Q104 PolarHBondContact O-N 3.36Å
101	S	35.6	Very low	31.8	Very low	59 Å²	59	111.3 Å²	111.3	41%	0.413	57%	0.567	S	S	.	*	H	α-helix	trans	-63.8	-39.9	176.1	-174.4	0	0	0	0	112.6	Q97 Q98 D99 K105	Q97-S101 PolarHBondContact O-N 3.03Å; Q98-S101 WeakPolarHBondContact O-CB 3.5Å; Q98-S101 PolarHBondContact O-N 3.3Å; D99-S101 VanDerWaalsContact C-N 3.27Å; D99-S101 PolarHBondContact O-N 3.41Å; S101-K105 PolarHBondContact O-N 3.16Å
102	Q	32.2	Very low	31.9	Very low	105 Å²	105	114 Å²	114	49%	0.491	57%	0.573	S	S	.	*	H	α-helix	trans	-71.9	-41.1	177.5	-67.1	-169.1	4.5	0	0	112.3	Q98 D99 Q104 K105 W106	Q98-Q102 PolarHBondContact O-N 2.95Å; D99-Q102 PolarHBondContact O-N 2.83Å; D99-Q102 VanDerWaalsContact O-N 3.12Å; Q102-Q104 PolarHBondContact O-N 2.94Å; Q102-K105 WeakPolarHBondContact O-CB 3.49Å; Q102-K105 PolarHBondContact O-N 3.18Å; Q102-W106 PolarHBondContact O-N 3.47Å
103	C	35.3	Very low	31.8	Very low	60 Å²	60	115.2 Å²	115.2	41%	0.405	58%	0.577	S	S	.	*	H	α-helix	trans	-62.9	-39.7	175.7	-66.1	0	0	0	0	112.4	D99 R100 K105 W106 L107	D99-C103 PolarHBondContact O-N 2.94Å; D99-C103 PolarHBondContact O-SG 3.14Å; R100-C103 PolarHBondContact O-N 3.35Å; C103-K105 VanDerWaalsContact C-N 3.33Å; C103-K105 PolarHBondContact O-N 3.08Å; C103-W106 PolarHBondContact O-N 3.2Å; C103-L107 PolarHBondContact O-N 3.42Å; C103-L107 VanDerWaalsContact O-N 3.15Å
104	Q	33.3	Very low	31.7	Very low	133 Å²	133	112.4 Å²	112.4	62%	0.621	58%	0.578	S	S	*	*	H	α-helix	trans	-65.2	-33.7	174.6	-75.4	-175.2	-59.9	0	0	113	R100 Q102 L107	R100-Q104 WeakPolarHBondContact O-CG 3.41Å; R100-Q104 PolarHBondContact O-N 3.36Å; Q102-Q104 PolarHBondContact O-N 2.94Å; Q104-L107 PolarHBondContact O-N 3.28Å
105	K	31.5	Very low	31.9	Very low	143 Å²	143	109.6 Å²	109.6	62%	0.622	58%	0.582	S	S	*	*	H	α-helix	trans	-65.2	-37.1	173	-80.1	-179.5	173.2	-179.4	0	112.8	S101 Q102 C103	S101-K105 PolarHBondContact O-N 3.16Å; Q102-K105 WeakPolarHBondContact O-CB 3.49Å; Q102-K105 PolarHBondContact O-N 3.18Å; C103-K105 VanDerWaalsContact C-N 3.33Å; C103-K105 PolarHBondContact O-N 3.08Å
106	W	31.1	Very low	31.5	Very low	179 Å²	179	111.3 Å²	111.3	68%	0.678	60%	0.599	S	S	*	*	H	α-helix	trans	-66.6	-40.4	175.4	-93.6	75.2	0	0	0	112.6	Q102 C103 I108 L109 S110	Q102-W106 PolarHBondContact O-N 3.47Å; C103-W106 PolarHBondContact O-N 3.2Å; W106-I108 PolarHBondContact O-N 3.14Å; W106-L109 PolarHBondContact O-N 3.1Å; W106-S110 PolarHBondContact O-N 3.44Å; W106-S110 VanDerWaalsContact O-N 3.11Å; W106-S110 PolarHBondContact O-OG 2.79Å
107	L	28.7	Very low	31.2	Very low	90 Å²	90	110 Å²	110	47%	0.471	60%	0.602	S	S	.	*	H	α-helix	trans	-57.2	-35.6	179.7	-166.8	70.8	0	0	0	112.9	C103 Q104 L109 S110	C103-L107 PolarHBondContact O-N 3.42Å; C103-L107 VanDerWaalsContact O-N 3.15Å; Q104-L107 PolarHBondContact O-N 3.28Å; L107-L109 VanDerWaalsContact C-N 3.33Å; L107-S110 WeakPolarHBondContact CA-OG 3.28Å; L107-S110 PolarHBondContact O-OG 3.21Å
108	I	30	Very low	30.8	Very low	124 Å²	124	109.4 Å²	109.4	64%	0.636	61%	0.605	S	S	*	*	H	α-helix	trans	-73.3	-24.3	178.6	-64.2	168.3	0	0	0	112.2	W106 T111	W106-I108 PolarHBondContact O-N 3.14Å; I108-T111 PolarHBondContact O-OG1 3.17Å
109	L	29	Very low	30.6	Very low	121 Å²	121	112.8 Å²	112.8	63%	0.634	61%	0.613	S	S	*	*	H	α-helix	trans	-88.7	-27.5	178.7	-74.2	162.7	0	0	0	112.7	W106 L107 T111	W106-L109 PolarHBondContact O-N 3.1Å; L107-L109 VanDerWaalsContact C-N 3.33Å; L109-T111 VanDerWaalsContact C-N 3.31Å; L109-T111 PolarHBondContact O-N 3.45Å
110	S	28.1	Very low	30.1	Very low	66 Å²	66	119.1 Å²	119.1	46%	0.462	64%	0.641	S	S	.	*	H	α-helix	trans	-69.1	-23.6	178.3	38.3	0	0	0	0	114.5	W106 L107 Q112	W106-S110 PolarHBondContact O-N 3.44Å; W106-S110 VanDerWaalsContact O-N 3.11Å; W106-S110 PolarHBondContact O-OG 2.79Å; L107-S110 WeakPolarHBondContact CA-OG 3.28Å; L107-S110 PolarHBondContact O-OG 3.21Å; S110-Q112 PolarHBondContact O-N 3.05Å
111	T	30.7	Very low	29.7	Very low	113 Å²	113	120.5 Å²	120.5	69%	0.693	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	2	-177.1	50.4	0	0	0	0	114.6	I108 L109	I108-T111 PolarHBondContact O-OG1 3.17Å; L109-T111 VanDerWaalsContact C-N 3.31Å; L109-T111 PolarHBondContact O-N 3.45Å
112	Q	31.9	Very low	29	Very low	163 Å²	163	123.7 Å²	123.7	76%	0.762	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	23.6	-179.6	-63.5	-169.5	-19.5	0	0	113.7	S110	S110-Q112 PolarHBondContact O-N 3.05Å
113	V	28	Very low	28.6	Very low	95 Å²	95	127.1 Å²	127.1	58%	0.576	69%	0.687	S	S	*	*			trans	-96.7	115.4	175.6	-176.4	0	0	0	0	110.3	G115	V113-G115 PolarHBondContact O-N 3.35Å
114	P	26.5	Very low	27.9	Very low	128 Å²	128	133.3 Å²	133.3	83%	0.831	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	125	174.8	-15.1	29.9	0	0	0	110.7
115	G	35.4	Very low	27.5	Very low	81 Å²	81	131.8 Å²	131.8	84%	0.835	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	151.4	-27.6	173.3	0	0	0	0	0	115.1	V113	V113-G115 PolarHBondContact O-N 3.35Å
116	C	26.5	Very low	27.3	Very low	114 Å²	114	134.3 Å²	134.3	77%	0.77	73%	0.725	S	S	*	*	S	Bend	trans	-101.6	151	172	-63	0	0	0	0	110.7
117	G	29.7	Very low	27	Very low	55 Å²	55	132.8 Å²	132.8	57%	0.567	73%	0.73	S	S	*	*			trans	-64.9	151.4	175.2	0	0	0	0	0	112.4	Y119	G117-Y119 VanDerWaalsContact O-CD2 3.28Å; G117-Y119 WeakPolarHBondContact O-CD2 3.35Å; G117-Y119 PolarHBondContact O-N 3.37Å; G117-Y119 VanDerWaalsContact O-N 3.11Å
118	N	26.3	Very low	26.8	Very low	167 Å²	167	139.7 Å²	139.7	89%	0.893	75%	0.75	S	S	*	*			trans	-67.9	107.3	178	-70	-19.1	0	0	0	110.7
119	Y	27.5	Very low	26.5	Very low	210 Å²	210	144.7 Å²	144.7	82%	0.824	76%	0.761	S	S	*	*			trans	-92.5	106	164.1	-61.4	-80.2	0	0	0	109	G117 L121	G117-Y119 VanDerWaalsContact O-CD2 3.28Å; G117-Y119 WeakPolarHBondContact O-CD2 3.35Å; G117-Y119 PolarHBondContact O-N 3.37Å; G117-Y119 VanDerWaalsContact O-N 3.11Å; Y119-L121 PolarHBondContact O-N 2.89Å
120	E	22.7	Very low	26.3	Very low	178 Å²	178	145.7 Å²	145.7	83%	0.832	77%	0.767	S	S	*	*			trans	-71.7	109.8	170.2	-77.5	-165.3	126.1	0	0	110.3	T122	E120-T122 PolarHBondContact O-N 2.96Å
121	L	24.2	Very low	26.1	Very low	146 Å²	146	148.7 Å²	148.7	76%	0.764	78%	0.777	S	S	*	*			trans	-83	94.2	161.8	-82.5	169.5	0	0	0	109.2	Y119 F123	Y119-L121 PolarHBondContact O-N 2.89Å; L121-F123 HydrophobicContact CB-CE2 4.4Å; L121-F123 PolarHBondContact O-N 3.14Å
122	T	20	Very low	25.7	Very low	127 Å²	127	151.5 Å²	151.5	78%	0.779	78%	0.78	S	S	*	*			trans	-67.6	119.1	171.8	43.5	0	0	0	0	110.6	E120	E120-T122 PolarHBondContact O-N 2.96Å
123	F	23.7	Very low	25.3	Very low	177 Å²	177	153.5 Å²	153.5	78%	0.776	78%	0.782	S	S	*	*			trans	-95.7	108.9	170.6	-80.7	-90.4	0	0	0	110.1	L121 S125	L121-F123 HydrophobicContact CB-CE2 4.4Å; L121-F123 PolarHBondContact O-N 3.14Å; F123-S125 VanDerWaalsContact C-N 3.28Å; F123-S125 PolarHBondContact O-N 2.84Å
124	E	21.8	Very low	25.1	Very low	190 Å²	190	157.8 Å²	157.8	89%	0.888	79%	0.792	S	S	*	*			trans	-66.4	88	162.8	-81.2	-151.9	131.1	0	0	110.1	K126	E124-K126 PolarHBondContact O-N 3.07Å; E124-K126 VanDerWaalsContact O-N 3.16Å
125	S	24.9	Very low	25	Very low	100 Å²	100	156.9 Å²	156.9	70%	0.699	78%	0.781	S	S	*	*			trans	-73.2	106	171.3	56.4	0	0	0	0	110.1	F123 N127	F123-S125 VanDerWaalsContact C-N 3.28Å; F123-S125 PolarHBondContact O-N 2.84Å; S125-N127 PolarHBondContact O-N 2.87Å
126	K	26.3	Very low	24.4	Very low	196 Å²	196	161.2 Å²	161.2	85%	0.852	78%	0.777	S	S	*	*	S	Bend	trans	-70.4	61.5	162.4	-78.9	-170.4	176.1	178.2	0	111.4	E124	E124-K126 PolarHBondContact O-N 3.07Å; E124-K126 VanDerWaalsContact O-N 3.16Å
127	N	24.7	Very low	24.2	Very low	148 Å²	148	162.1 Å²	162.1	79%	0.791	77%	0.772	S	S	*	*	S	Bend	trans	-167.6	127.3	146.9	-101.1	-39	0	0	0	111.7	S125	S125-N127 PolarHBondContact O-N 2.87Å
128	R	25.3	Very low	24.2	Very low	235 Å²	235	164.4 Å²	164.4	89%	0.887	78%	0.778	S	S	*	*			trans	-75.4	139.1	174.7	-63.4	177.4	177.8	177.9	-1.3	110.8
129	R	24.1	Very low	24	Very low	229 Å²	229	167 Å²	167	86%	0.864	78%	0.775	S	S	*	*				171	120.5	123.1	-91.4	154.8	-174.6	-173.1	2.7	111.8
130	N	24.2	Very low	23.8	Very low	142 Å²	142	164.3 Å²	164.3	76%	0.759	77%	0.77	S	S	*	*			trans	67	140	148.5	-63.7	-6.2	0	0	0	118.9
131	L	23.7	Very low	23.8	Very low	128 Å²	128	160.4 Å²	160.4	67%	0.67	76%	0.762	S	S	*	*			cis	-159.2	136.7	-3.3	-102.2	161	0	0	0	111.5
132	K	23.3	Very low	23.7	Very low	173 Å²	173	161.7 Å²	161.7	75%	0.752	77%	0.769	S	S	*	*			trans	44.4	124.9	145.2	-65.4	176.3	-172.3	175.5	0	123.5
133	Y	23.3	Very low	23.7	Very low	205 Å²	205	163.2 Å²	163.2	80%	0.804	77%	0.767	S	S	*	*				41.9	145.9	122.9	-71.6	-83.9	0	0	0	121.1
134	K	23.7	Very low	23.7	Very low	184 Å²	184	160 Å²	160	80%	0.8	76%	0.763	S	S	*	*			cis	-174.5	130.6	49.4	-143.1	172.3	-174.1	-172.6	0	115
135	N	24.6	Very low	23.8	Very low	110 Å²	110	159.7 Å²	159.7	59%	0.588	76%	0.758	S	S	*	*			trans	36.8	131	134.8	-59.4	28.1	0	0	0	126.4
136	F	21.8	Very low	23.7	Very low	172 Å²	172	160.6 Å²	160.6	75%	0.754	76%	0.759	S	S	*	*				107.2	107.8	113.3	-90.1	-137.7	0	0	0	126.1
137	I	22.6	Very low	23.5	Very low	132 Å²	132	156.2 Å²	156.2	68%	0.677	75%	0.749	S	S	*	*				56.2	-179.4	124.5	-8.2	-176	0	0	0	122
138	P	29.7	Very low	23.6	Very low	104 Å²	104	157 Å²	157	68%	0.675	75%	0.749	S	S	*	*				-138.6	-174.3	-107.4	45.8	-26.9	0	0	0	121.9
139	W	22.1	Very low	23.5	Very low	222 Å²	222	151.1 Å²	151.1	84%	0.841	74%	0.735	S	S	*	*			trans	100	155.2	136.9	-115.5	55.7	0	0	0	123.9
140	Q	23.5	Very low	23.5	Very low	152 Å²	152	150.6 Å²	150.6	71%	0.71	73%	0.734	S	S	*	*			trans	89.8	112.4	162.4	-63.7	-160.6	-16.9	0	0	124.9
141	S	22.2	Very low	23.4	Very low	97 Å²	97	146.9 Å²	146.9	68%	0.678	73%	0.729	S	S	*	*				56.1	133.3	114.9	-46.1	0	0	0	0	124.5
142	L	22.1	Very low	23.5	Very low	172 Å²	172	151.5 Å²	151.5	90%	0.901	74%	0.738	S	S	*	*			trans	-171.3	170.8	133.4	-110.5	167.9	0	0	0	114.3
143	E	21	Very low	23.4	Very low	160 Å²	160	150 Å²	150	75%	0.748	73%	0.734	S	S	*	*			trans	-144.9	-169	-175	-58.7	-169.5	154.8	0	0	110.8
144	T	23.3	Very low	23.4	Very low	110 Å²	110	147.6 Å²	147.6	68%	0.675	73%	0.733	S	S	*	*			cis	-153.8	-162.7	4.8	-25.7	0	0	0	0	109.6
145	K	23.2	Very low	23.3	Very low	182 Å²	182	149 Å²	149	79%	0.791	73%	0.734	S	S	*	*			trans	87	114.3	164.1	-60.2	-173.6	-178.9	178.6	0	116.2
146	T	23	Very low	23.1	Very low	119 Å²	119	151.1 Å²	151.1	73%	0.73	74%	0.743	S	S	*	*				78.2	142.5	60.2	69	0	0	0	0	113.2
147	T	23.1	Very low	23.2	Very low	104 Å²	104	148.1 Å²	148.1	64%	0.638	74%	0.743	S	S	*	*			cis	-164.1	152.1	20.6	-14.1	0	0	0	0	112.1
148	Q	25.5	Very low	23.1	Very low	166 Å²	166	145.7 Å²	145.7	78%	0.776	75%	0.751	S	S	*	*			trans	50.5	155.6	136.4	-84	178.7	-67	0	0	123.1
149	D	23.5	Very low	22.8	Very low	111 Å²	111	145.8 Å²	145.8	59%	0.594	75%	0.754	S	S	*	*			cis	-160.9	-178.6	-8.5	-140.1	-34.9	0	0	0	112.6
150	Y	24.5	Very low	22.8	Very low	217 Å²	217	144.5 Å²	144.5	85%	0.851	76%	0.757	S	S	*	*			trans	68.4	134.2	169.6	-66.7	-81	0	0	0	119.1
151	G	22.6	Very low	22.7	Very low	64 Å²	64	140.4 Å²	140.4	66%	0.66	76%	0.756	S	S	*	*			cis	161.1	128.7	-15.8	0	0	0	0	0	116.2
152	R	24.3	Very low	22.7	Very low	226 Å²	226	146 Å²	146	85%	0.853	76%	0.763	S	S	*	*			trans	63.2	157.6	153.6	-67.9	-169.1	-173.6	-114	11.4	119.6
153	E	22.8	Very low	22.7	Very low	142 Å²	142	146.4 Å²	146.4	66%	0.664	76%	0.76	S	S	*	*			cis	-173	-172.2	-30	-111.6	174.7	148	0	0	108.3
154	I	23	Very low	22.7	Very low	154 Å²	154	142.6 Å²	142.6	79%	0.79	76%	0.764	S	S	*	*			trans	88.6	83	158	-41.8	-173.9	0	0	0	119.4
155	Y	20.9	Very low	22.7	Very low	212 Å²	212	141.3 Å²	141.3	83%	0.831	77%	0.773	S	S	*	*				31.1	148.6	115	-96.1	-73	0	0	0	125.5
156	M	21.1	Very low	22.6	Very low	156 Å²	156	143.7 Å²	143.7	77%	0.768	78%	0.777	S	S	*	*			trans	89.2	106.9	144.5	-77	-50.6	-130	0	0	123.5
157	S	22.4	Very low	22.6	Very low	109 Å²	109	149.6 Å²	149.6	76%	0.762	79%	0.788	S	S	*	*				46.3	132.7	127.6	67.9	0	0	0	0	123.6
158	G	21.6	Very low	22.5	Very low	81 Å²	81	153.2 Å²	153.2	84%	0.835	80%	0.797	S	S	*	*			trans	-165.9	152.3	159.7	0	0	0	0	0	112.3
159	S	22.9	Very low	22.3	Very low	105 Å²	105	153.7 Å²	153.7	73%	0.734	80%	0.804	S	S	*	*			trans	-143.5	179.7	-174.8	65.6	0	0	0	0	113.3
160	H	23.4	Very low	22.1	Very low	196 Å²	196	151.3 Å²	151.3	91%	0.907	81%	0.805	S	S	*	*			trans	74.8	156	-167.1	-48.3	-49.6	0	0	0	115
161	G	21.1	Very low	21.9	Very low	66 Å²	66	149.1 Å²	149.1	68%	0.68	81%	0.807	S	S	*	*			cis	164.7	146.9	-13.6	0	0	0	0	0	115
162	Y	22.4	Very low	21.8	Very low	215 Å²	215	149.9 Å²	149.9	84%	0.843	80%	0.802	S	S	*	*			trans	69.2	147.8	162.3	-91	-105.6	0	0	0	122
163	Q	22.3	Very low	21.7	Very low	179 Å²	179	149.8 Å²	149.8	84%	0.836	80%	0.802	S	S	*	*			trans	51.6	143.2	159.1	-72.3	157.2	0.5	0	0	119.8
164	G	20.8	Very low	21.7	Very low	80 Å²	80	151.1 Å²	151.1	83%	0.825	81%	0.805	S	S	*	*			cis	124	105.9	3.7	0	0	0	0	0	111.9
165	G	21.6	Very low	21.6	Very low	84 Å²	84	150.2 Å²	150.2	87%	0.866	80%	0.802	S	S	*	*			trans	176.1	140.1	175.6	0	0	0	0	0	115.3
166	R	22.2	Very low	21.7	Very low	232 Å²	232	148 Å²	148	88%	0.875	80%	0.804	S	S	*	*			trans	-104.5	153.4	160.2	-63.7	174.9	176.5	169.5	-2.1	107.8
167	Y	21.7	Very low	21.6	Very low	242 Å²	242	145 Å²	145	95%	0.949	80%	0.798	S	S	*	*			trans	-154.6	169.5	138.9	-91.2	-57.6	0	0	0	111.8
168	H	21.4	Very low	21.6	Very low	180 Å²	180	148 Å²	148	83%	0.833	80%	0.802	S	S	*	*			trans	-114.2	174.4	-179.1	-102.8	-93.2	0	0	0	110.2
169	L	20.8	Very low	21.6	Very low	176 Å²	176	152.5 Å²	152.5	92%	0.921	80%	0.802	S	S	*	*			trans	74.6	150	176.1	-46.7	166.5	0	0	0	113.4
170	G	20	Very low	21.6	Very low	61 Å²	61	157.8 Å²	157.8	63%	0.629	81%	0.811	S	S	*	*			cis	153.9	154.8	-8	0	0	0	0	0	111.8
171	I	21.1	Very low	21.5	Very low	172 Å²	172	155.1 Å²	155.1	88%	0.882	80%	0.799	S	S	*	*			trans	69.6	155.7	170.9	-53.8	170.6	0	0	0	113.9
172	S	20.5	Very low	21.6	Very low	80 Å²	80	161.3 Å²	161.3	56%	0.559	81%	0.81	S	S	*	*			cis	-165.5	168	-49.5	73.4	0	0	0	0	109.2
173	R	21.8	Very low	21.6	Very low	224 Å²	224	158.4 Å²	158.4	85%	0.845	80%	0.802	S	S	*	*			trans	67.7	161.7	166.1	-66.2	168.8	171.1	177	-2.1	114.4
174	K	21.6	Very low	21.5	Very low	169 Å²	169	157.4 Å²	157.4	74%	0.735	80%	0.802	S	S	*	*			cis	-152.1	157.8	3.5	-138.1	175.7	-178.6	-172.2	0	111.5
175	N	21.1	Very low	21.5	Very low	135 Å²	135	159.9 Å²	159.9	72%	0.722	80%	0.795	S	S	*	*			trans	12.1	139.9	155.6	-55.4	9.1	0	0	0	123
176	L	23.1	Very low	21.4	Very low	166 Å²	166	161.2 Å²	161.2	87%	0.869	79%	0.786	S	S	*	*				177	96.2	130	-93.4	161.6	0	0	0	106.6
177	S	20.7	Very low	21.4	Very low	94 Å²	94	158.4 Å²	158.4	66%	0.657	78%	0.783	S	S	*	*				66.1	95.4	62.2	79.5	0	0	0	0	116.2
178	M	21.8	Very low	21.4	Very low	170 Å²	170	154.1 Å²	154.1	84%	0.837	77%	0.771	S	S	*	*				-178.9	114.9	129.7	-95.6	-164.8	-64.1	0	0	107
179	E	21.3	Very low	21.3	Very low	177 Å²	177	151 Å²	151	83%	0.827	77%	0.769	S	S	*	*				72.1	109	78.1	-73.7	-170.5	171.3	0	0	115.1
180	K	22.8	Very low	21.3	Very low	216 Å²	216	151.6 Å²	151.6	94%	0.939	76%	0.761	S	S	*	*				-154.3	143.7	114.9	-110.7	167.2	-176.2	175.7	0	110.9
181	E	21.5	Very low	21.4	Very low	139 Å²	139	155.5 Å²	155.5	65%	0.65	77%	0.765	S	S	*	*			trans	-82.4	157.1	-174.9	-54.6	-178.7	92.4	0	0	112.6	K183	E181-K183 VanDerWaalsContact OE1-CE 3.25Å; E181-K183 WeakPolarHBondContact OE1-CE 3.35Å; E181-K183 IonicContact OE1-NZ 3.77Å; E181-K183 PolarHBondContact OE1-NZ 2.76Å
182	Q	23.6	Very low	21.8	Very low	196 Å²	196	152 Å²	152	92%	0.916	75%	0.754	S	S	*	*				-157.6	115.3	114.4	-109.8	168.8	3.5	0	0	112.6
183	K	21.6	Very low	21.8	Very low	155 Å²	155	153.6 Å²	153.6	67%	0.674	76%	0.76	S	S	*	*			trans	-54.2	144.4	165.1	-63.4	143.4	169.8	147.8	0	109.2	E181	E181-K183 VanDerWaalsContact OE1-CE 3.25Å; E181-K183 WeakPolarHBondContact OE1-CE 3.35Å; E181-K183 IonicContact OE1-NZ 3.77Å; E181-K183 PolarHBondContact OE1-NZ 2.76Å
184	L	20.7	Very low	21.8	Very low	157 Å²	157	150.6 Å²	150.6	82%	0.822	76%	0.756	S	S	*	*				-169.9	177	68.2	-74.5	153.7	0	0	0	106.6
185	I	19.9	Very low	21.8	Very low	133 Å²	133	151 Å²	151	68%	0.682	76%	0.76	S	S	*	*			cis	-156.2	139.5	-1	-124.6	164.4	0	0	0	105.3
186	V	21	Very low	21.8	Very low	112 Å²	112	149.4 Å²	149.4	68%	0.679	77%	0.766	S	S	*	*				52.2	131.8	90.6	-165.6	0	0	0	0	112.8
187	Q	21	Very low	21.6	Very low	173 Å²	173	149.4 Å²	149.4	81%	0.808	77%	0.766	S	S	*	*			cis	-151.5	-169.9	32.6	-146.9	149	7.4	0	0	114.5
188	H	21.6	Very low	22.1	Very low	152 Å²	152	149.5 Å²	149.5	70%	0.704	76%	0.764	S	S	*	*			trans	-73.1	171.3	-175.6	-68.7	-129.7	0	0	0	113.3
189	S	20.3	Very low	22	Very low	113 Å²	113	149.8 Å²	149.8	79%	0.79	76%	0.763	S	S	*	*				-165.7	140.3	55.9	-68.9	0	0	0	0	111
190	Y	20.2	Very low	22	Very low	190 Å²	190	151.4 Å²	151.4	75%	0.745	76%	0.763	S	S	*	*				79.4	92.1	73.2	-99.3	-112.2	0	0	0	117.6
191	I	21.4	Very low	21.9	Very low	142 Å²	142	147.3 Å²	147.3	73%	0.728	76%	0.756	S	S	*	*			trans	31.9	169.7	134.1	43.8	165.3	0	0	0	123.8
192	P	30.2	Very low	22	Very low	99 Å²	99	143.9 Å²	143.9	64%	0.643	76%	0.758	S	S	*	*			cis	-136.1	-155.4	-22.1	28.7	-3.2	0	0	0	114.4
193	V	21.3	Very low	21.9	Very low	114 Å²	114	141.5 Å²	141.5	69%	0.691	76%	0.757	S	S	*	*			trans	73.4	155.2	158.8	-57.6	0	0	0	0	119.6
194	E	21	Very low	21.8	Very low	160 Å²	160	141.5 Å²	141.5	75%	0.748	76%	0.763	S	S	*	*			cis	-146.9	-157.4	2.9	-146.5	53.7	-65.6	0	0	116
195	E	21.3	Very low	21.7	Very low	178 Å²	178	139.4 Å²	139.4	83%	0.832	76%	0.759	S	S	*	*			trans	-80	178.6	-163.1	-75.3	-175.4	145.4	0	0	122
196	A	20.8	Very low	21.8	Very low	101 Å²	101	141.9 Å²	141.9	84%	0.835	77%	0.768	S	S	*	*			trans	119.6	140.5	141.4	0	0	0	0	0	120.4
197	L	20.2	Very low	21.9	Very low	167 Å²	167	144.3 Å²	144.3	87%	0.874	77%	0.77	S	S	*	*			trans	-114.8	-171.1	174.1	-83.2	169.9	0	0	0	108.4
198	P	29.7	Very low	21.9	Very low	96 Å²	96	140.3 Å²	140.3	62%	0.623	75%	0.754	S	S	*	*			cis	-147.2	-173.5	14.7	44.6	-22.7	0	0	0	118.5
199	E	20.8	Very low	22	Very low	175 Å²	175	139.7 Å²	139.7	82%	0.818	76%	0.755	S	S	*	*			trans	54.9	169.1	142.9	-75.2	164.1	-145.9	0	0	123
200	Y	21.1	Very low	22.1	Very low	211 Å²	211	140.4 Å²	140.4	83%	0.827	75%	0.749	S	S	*	*			cis	-165.3	179.5	-48.8	-146.8	-94.5	0	0	0	109.7
201	V	20.8	Very low	22.2	Very low	131 Å²	131	139.4 Å²	139.4	79%	0.794	75%	0.749	S	S	*	*			trans	74.6	155.4	166.8	-163.7	0	0	0	0	118.3
202	G	24.1	Very low	22.2	Very low	67 Å²	67	138.1 Å²	138.1	69%	0.691	74%	0.743	S	S	*	*			trans	-156	162.9	169.2	0	0	0	0	0	112.4
203	V	20	Very low	21.8	Very low	145 Å²	145	138.9 Å²	138.9	88%	0.879	75%	0.751	S	S	*	*			trans	-138.6	171.5	-168	-170	0	0	0	0	112.6
204	I	19.7	Very low	21.8	Very low	156 Å²	156	141.5 Å²	141.5	80%	0.8	76%	0.758	S	S	*	*			trans	-136.5	151.2	-160.2	-53.4	171.2	0	0	0	112.6
205	C	20.1	Very low	21.9	Very low	112 Å²	112	141.9 Å²	141.9	76%	0.757	76%	0.759	S	S	*	*			trans	102.6	156.8	144.4	-115.8	0	0	0	0	124.6
206	Q	20.7	Very low	21.9	Very low	186 Å²	186	141.3 Å²	141.3	87%	0.869	76%	0.757	S	S	*	*			trans	81.9	169.7	153.7	-77.3	171.7	-5.4	0	0	122.6
207	K	22.7	Very low	22	Very low	163 Å²	163	143.5 Å²	143.5	71%	0.709	76%	0.755	S	S	*	*				-166.9	165.1	-124.3	-165.9	-178	164.3	-70.9	0	114.3
208	D	22.7	Very low	22.1	Very low	88 Å²	88	145.9 Å²	145.9	47%	0.471	75%	0.753	S	S	.	*			trans	79.8	134.5	161.9	-63.7	-57	0	0	0	120.4
209	L	22.3	Very low	21.8	Very low	139 Å²	139	147.7 Å²	147.7	73%	0.728	77%	0.767	S	S	*	*				157	125	120.6	-81.7	173.9	0	0	0	117.2
210	L	21.9	Very low	21.8	Very low	128 Å²	128	142.2 Å²	142.2	67%	0.67	76%	0.757	S	S	*	*			trans	71.1	117.5	144.5	-53.9	169.6	0	0	0	120.1
211	K	22.6	Very low	21.9	Very low	169 Å²	169	137.8 Å²	137.8	74%	0.735	76%	0.756	S	S	*	*				82.9	148.1	85.2	-77.3	-169.7	161.1	-108.5	0	114.7
212	D	22.5	Very low	22.3	Very low	116 Å²	116	138.7 Å²	138.7	62%	0.62	76%	0.756	S	S	*	*			cis	-162.3	176.4	-7.2	-107.1	-14.1	0	0	0	111.1
213	S	21.3	Very low	22.5	Very low	114 Å²	114	144.9 Å²	144.9	80%	0.797	76%	0.764	S	S	*	*			trans	72.6	150.4	174.4	76	0	0	0	0	117.3
214	M	22.2	Very low	22.8	Very low	170 Å²	170	144.2 Å²	144.2	84%	0.837	76%	0.764	S	S	*	*			cis	-141.3	-178.8	3	-140.3	158.6	-173.8	0	0	111.6
215	E	22	Very low	23	Very low	167 Å²	167	146.1 Å²	146.1	78%	0.78	77%	0.767	S	S	*	*			trans	-68.4	167.2	-167.4	-63.8	133.7	141.5	0	0	115.3
216	E	22.6	Very low	23.2	Very low	167 Å²	167	146.7 Å²	146.7	78%	0.78	76%	0.758	S	S	*	*			cis	-142.3	-177.8	24.5	-65.3	-173.4	136.2	0	0	115
217	N	22.8	Very low	23.3	Very low	147 Å²	147	145.9 Å²	145.9	79%	0.786	76%	0.758	S	S	*	*			trans	73.1	77.2	161.4	-68.4	-65.2	0	0	0	117.9
218	Y	21.9	Very low	23.3	Very low	217 Å²	217	148.6 Å²	148.6	85%	0.851	77%	0.766	S	S	*	*			trans	-78.6	137.9	172.2	-83.3	-95.2	0	0	0	114.3
219	C	22.5	Very low	23.3	Very low	134 Å²	134	150 Å²	150	91%	0.905	78%	0.781	S	S	*	*			trans	-117.7	108.7	139.7	-176.3	0	0	0	0	107.6
220	G	21.1	Very low	23.2	Very low	60 Å²	60	152.9 Å²	152.9	62%	0.619	78%	0.783	S	S	*	*			trans	-77.5	129.8	-160.1	0	0	0	0	0	115.3
221	C	24	Very low	23.5	Very low	117 Å²	117	153.2 Å²	153.2	79%	0.791	79%	0.785	S	S	*	*			trans	-139.4	79.6	160.8	-162.7	0	0	0	0	110.5	K223	C221-K223 VanDerWaalsContact C-N 3.3Å; C221-K223 PolarHBondContact O-N 3.06Å
222	N	28.2	Very low	23.9	Very low	151 Å²	151	150.8 Å²	150.8	81%	0.807	79%	0.789	S	S	*	*			trans	-71.2	71.1	-174	-72.5	-17.8	0	0	0	113.1
223	K	28.2	Very low	24.4	Very low	197 Å²	197	155.1 Å²	155.1	86%	0.857	80%	0.797	S	S	*	*			trans	-153.9	16.6	175.2	-121.9	158.8	-168.3	170.7	0	119	C221	C221-K223 VanDerWaalsContact C-N 3.3Å; C221-K223 PolarHBondContact O-N 3.06Å
224	C	26.5	Very low	24.7	Very low	131 Å²	131	154.8 Å²	154.8	89%	0.885	79%	0.793	S	S	*	*			trans	-134.9	95.7	170.8	-68.1	0	0	0	0	111.1
225	K	24.2	Very low	25.1	Very low	195 Å²	195	152.9 Å²	152.9	85%	0.848	79%	0.785	S	S	*	*			trans	-99.1	138.1	159.9	-76.5	-167.5	172.1	-168.5	0	109.1
226	E	23.5	Very low	25.3	Very low	124 Å²	124	154.1 Å²	154.1	58%	0.579	79%	0.788	S	S	*	*			trans	55.4	112.1	167.9	-69.6	165.8	-131.2	0	0	118.8
227	I	22.8	Very low	25.5	Very low	169 Å²	169	154.2 Å²	154.2	87%	0.867	79%	0.789	S	S	*	*				-174.9	141.8	123.7	-92	155.4	0	0	0	107
228	Y	22.7	Very low	25.8	Very low	220 Å²	220	156 Å²	156	86%	0.863	79%	0.789	S	S	*	*			trans	-59.7	138.3	-171.1	-73.4	-94	0	0	0	113.8
229	C	22.7	Very low	26	Very low	118 Å²	118	155.3 Å²	155.3	80%	0.797	79%	0.785	S	S	*	*			trans	-102.1	101	177.3	-169.4	0	0	0	0	110.2
230	W	21.7	Very low	26.3	Very low	200 Å²	200	156.9 Å²	156.9	76%	0.758	78%	0.784	S	S	*	*			trans	-119.2	62	-176.3	-114	65.8	0	0	0	113.5
231	N	26.8	Very low	26.5	Very low	135 Å²	135	162.4 Å²	162.4	72%	0.722	79%	0.794	S	S	*	*				-168	124.7	127.7	-119.3	-79	0	0	0	112.9	R233	N231-R233 PolarHBondContact O-N 3.37Å
232	S	32.7	Very low	26.9	Very low	117 Å²	117	162.5 Å²	162.5	82%	0.818	79%	0.793	S	S	*	*			trans	-83	94.5	-176.2	-64.5	0	0	0	0	112.3
233	R	32.1	Very low	27.3	Very low	207 Å²	207	158.9 Å²	158.9	78%	0.781	79%	0.791	S	S	*	*			trans	-150.7	49.7	168.7	-112.4	167.4	-145.3	-159.4	6.4	114.9	N231 I235	N231-R233 PolarHBondContact O-N 3.37Å; R233-I235 PolarHBondContact O-N 3.3Å; R233-I235 VanDerWaalsContact O-N 3.11Å
234	C	28.1	Very low	27.6	Very low	108 Å²	108	157.4 Å²	157.4	73%	0.73	79%	0.788	S	S	*	*			trans	-75.3	88.5	163.3	-68	0	0	0	0	110.3	F236	C234-F236 PolarHBondContact O-N 3.16Å
235	I	31	Very low	28.1	Very low	130 Å²	130	158.4 Å²	158.4	67%	0.667	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-75.3	120	174.3	-59.6	177.4	0	0	0	109.3	R233	R233-I235 PolarHBondContact O-N 3.3Å; R233-I235 VanDerWaalsContact O-N 3.11Å
236	F	24.6	Very low	28.7	Very low	193 Å²	193	154 Å²	154	85%	0.846	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-81.6	123.4	169.8	-98.3	-91	0	0	0	110.3	C234	C234-F236 PolarHBondContact O-N 3.16Å
237	H	28.5	Very low	29.5	Very low	169 Å²	169	149.6 Å²	149.6	78%	0.782	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-99.9	127.5	157.3	-73.9	-65.5	0	0	0	109
238	K	27.6	Very low	30.2	Very low	185 Å²	185	146.3 Å²	146.3	80%	0.804	73%	0.733	S	S	*	*			trans	-104.4	114.2	-172.7	-170.2	176.6	-176.5	179.1	0	110.9
239	R	27.1	Very low	30.9	Very low	202 Å²	202	136.4 Å²	136.4	76%	0.762	70%	0.696	S	S	*	*			trans	56.8	123.7	166.7	-71.3	-177.8	172.7	169.4	-3	118.3
240	N	27.9	Very low	31.6	Very low	166 Å²	166	136 Å²	136	89%	0.888	70%	0.695	S	S	*	*	S	Bend		-123.3	125.6	122.5	-101.8	-27.1	0	0	0	107.5
241	Q	26.4	Very low	32.2	Very low	177 Å²	177	131.6 Å²	131.6	83%	0.827	69%	0.685	S	S	*	*	S	Bend	trans	61.5	161.7	-176.8	-62.7	-168.6	1.3	0	0	116.9
242	P	31.2	Very low	32.6	Very low	118 Å²	118	130.1 Å²	130.1	77%	0.766	67%	0.673	S	S	*	*	S	Bend	trans	-99.5	133.4	-177.6	35.8	-29.3	0	0	0	112.7
243	G	37.2	Very low	33.1	Very low	75 Å²	75	131.6 Å²	131.6	77%	0.773	67%	0.665	S	S	*	*	S	Bend	trans	160.8	-66.5	171.4	0	0	0	0	0	113.2
244	E	34.6	Very low	33.3	Very low	167 Å²	167	123.3 Å²	123.3	78%	0.78	64%	0.641	S	S	*	*			trans	-121.7	125.3	-165.1	-59	-169.4	160	0	0	113.7	L246	E244-L246 PolarHBondContact O-N 3.19Å
245	N	36.1	Very low	33.8	Very low	151 Å²	151	121.6 Å²	121.6	81%	0.807	63%	0.629	S	S	*	*			trans	-94.6	80.8	178.8	-73.1	-50.4	0	0	0	111.6	C247	N245-C247 PolarHBondContact O-N 3.27Å
246	L	37.3	Very low	34.3	Very low	102 Å²	102	117.4 Å²	117.4	53%	0.534	61%	0.606	S	S	.	*			trans	-73.2	121.2	177.1	-72.9	163.6	0	0	0	112.1	E244 C255	E244-L246 PolarHBondContact O-N 3.19Å; L246-C255 HydrophobicContact CD2-CB 4.41Å
247	C	39.8	Very low	34.9	Very low	33 Å²	33	112.9 Å²	112.9	22%	0.223	60%	0.598	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.8	126.4	176.3	-61.9	0	0	0	0	110.6	N245 C255 F256 L262	N245-C247 PolarHBondContact O-N 3.27Å; C247-C255 CarbonylContact O-C 3.56Å; C247-C255 WeakPolarHBondContact O-CA 3.37Å; C247-F256 PolarHBondContact N-O 3.06Å; C247-F256 PolarHBondContact O-N 3.27Å; C247-L262 HydrophobicContact CB-CB 4.33Å; C247-L262 HydrophobicContact CB-CD2 3.87Å
248	Q	37.3	Very low	35.6	Very low	99 Å²	99	110.7 Å²	110.7	46%	0.463	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.7	138.1	-175.3	-168	169.9	49.9	0	0	113.7	K253 A254 C255	Q248-K253 WeakPolarHBondContact CG-O 3.37Å; Q248-K253 PolarHBondContact NE2-O 3.1Å; Q248-A254 WeakPolarHBondContact CA-O 3.31Å; Q248-C255 PolarHBondContact NE2-SG 3.19Å; Q248-C255 VanDerWaalsContact NE2-SG 3.44Å
249	C	38.4	Very low	36.1	Very low	13 Å²	13	110.3 Å²	110.3	9%	0.088	58%	0.582	C	S	.	*			trans	-77.3	125.3	171.2	177	0	0	0	0	111.3	I251 K253 A254 F256 L262	C249-I251 VanDerWaalsContact C-N 3.3Å; C249-I251 PolarHBondContact O-N 3.49Å; C249-K253 WeakPolarHBondContact O-CA 3.21Å; C249-K253 PolarHBondContact O-N 3.27Å; C249-A254 PolarHBondContact N-O 3.34Å; C249-F256 HydrophobicContact CB-CE2 4.41Å; C249-L262 HydrophobicContact CB-CD1 3.75Å
250	S	36.8	Very low	36.7	Very low	110 Å²	110	103.2 Å²	103.2	77%	0.769	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-26.3	-179.4	52.4	0	0	0	0	114.5
251	I	33.9	Very low	37.4	Very low	106 Å²	106	97 Å²	97	54%	0.544	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-47.9	-177.1	-57.7	174.6	0	0	0	111.2	C249	C249-I251 VanDerWaalsContact C-N 3.3Å; C249-I251 PolarHBondContact O-N 3.49Å
252	H	35.6	Very low	38.1	Very low	104 Å²	104	90.4 Å²	90.4	48%	0.481	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-1.6	-172.7	-61.8	140.8	0	0	0	114.8	A254 H265 H269	H252-A254 PolarHBondContact O-N 3.14Å; H252-H265 AromaticContact ND1-NE2 3.33Å; H252-H265 PolarHBondContact ND1-NE2 2.91Å; H252-H269 AromaticContact CE1-CE1 3.42Å; H252-H269 PolarHBondContact CE1-CE1 3.2Å; H252-H269 VanDerWaalsContact CE1-CE1 3.42Å; H252-H269 AromaticContact CE1-NE2 3.27Å; H252-H269 PolarHBondContact CE1-NE2 2.89Å; H252-H269 VanDerWaalsContact CE1-NE2 3.27Å; H252-H269 AromaticContact ND1-NE2 3.87Å
253	K	44.2	Very low	38.5	Very low	148 Å²	148	89.1 Å²	89.1	64%	0.643	50%	0.498	S	S	*	.			trans	54.2	11.2	-174.2	-67.9	-157	174.1	-164.8	0	116.9	Q248 C249 C255	Q248-K253 WeakPolarHBondContact CG-O 3.37Å; Q248-K253 PolarHBondContact NE2-O 3.1Å; C249-K253 WeakPolarHBondContact O-CA 3.21Å; C249-K253 PolarHBondContact O-N 3.27Å; K253-C255 PolarHBondContact O-N 3.27Å
254	A	36.6	Very low	38.6	Very low	34 Å²	34	93.9 Å²	93.9	28%	0.281	49%	0.492	S	S	.	.			trans	-58.4	131.9	169.8	0	0	0	0	0	111.1	Q248 C249 H252 F256	Q248-A254 WeakPolarHBondContact CA-O 3.31Å; C249-A254 PolarHBondContact N-O 3.34Å; H252-A254 PolarHBondContact O-N 3.14Å; A254-F256 HydrophobicContact CB-CE2 3.76Å; A254-F256 HydrophobicContact CB-CZ 3.83Å; A254-F256 WeakPolarHBondContact O-CE2 3.35Å
255	C	38	Very low	38.8	Very low	71 Å²	71	87.4 Å²	87.4	48%	0.48	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.9	179.6	-63.6	0	0	0	0	110.7	L246 C247 Q248 K253	L246-C255 HydrophobicContact CD2-CB 4.41Å; C247-C255 CarbonylContact O-C 3.56Å; C247-C255 WeakPolarHBondContact O-CA 3.37Å; Q248-C255 PolarHBondContact NE2-SG 3.19Å; Q248-C255 VanDerWaalsContact NE2-SG 3.44Å; K253-C255 PolarHBondContact O-N 3.27Å
256	F	41.4	Very low	39.1	Very low	43 Å²	43	83.9 Å²	83.9	19%	0.189	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	131.2	-177.2	-59.3	-84	0	0	0	110.3	C247 C249 A254 Q258 A261 L262 H265	C247-F256 PolarHBondContact N-O 3.06Å; C247-F256 PolarHBondContact O-N 3.27Å; C249-F256 HydrophobicContact CB-CE2 4.41Å; A254-F256 HydrophobicContact CB-CE2 3.76Å; A254-F256 HydrophobicContact CB-CZ 3.83Å; A254-F256 WeakPolarHBondContact O-CE2 3.35Å; F256-Q258 PolarHBondContact O-N 3.15Å; F256-Q258 VanDerWaalsContact O-N 3.14Å; F256-A261 HydrophobicContact CB-CB 4.14Å; F256-A261 HydrophobicContact CD1-CB 3.82Å; F256-A261 HydrophobicContact CG-CB 4.23Å; F256-L262 HydrophobicContact CD2-CB 3.97Å; F256-L262 HydrophobicContact CD2-CD1 3.9Å; F256-L262 HydrophobicContact CE2-CD1 3.92Å; F256-L262 HydrophobicContact CG-CB 4.4Å; F256-H265 HydrophobicContact CE2-CB 4.27Å; F256-H265 HydrophobicContact CZ-CB 3.94Å; F256-H265 AromaticContact CZ-CG 3.71Å; F256-H265 AromaticContact CZ-ND1 3.61Å
257	S	37.2	Very low	39.1	Very low	97 Å²	97	88.2 Å²	88.2	68%	0.678	46%	0.457	S	S	*	.	S	Bend	trans	-66.8	-10.1	177.4	51.8	0	0	0	0	114.2
258	Q	42.6	Very low	39	Very low	123 Å²	123	93 Å²	93	58%	0.575	48%	0.479	S	S	*	.	S	Bend	trans	-141.4	138.6	176.8	-58.4	-175	4.7	0	0	112	F256 S260 A261 L262	F256-Q258 PolarHBondContact O-N 3.15Å; F256-Q258 VanDerWaalsContact O-N 3.14Å; Q258-S260 VanDerWaalsContact CB-OG 3.27Å; Q258-S260 WeakPolarHBondContact CB-OG 3.24Å; Q258-S260 PolarHBondContact O-N 2.91Å; Q258-S260 PolarHBondContact OE1-OG 2.95Å; Q258-S260 VanDerWaalsContact OE1-OG 3.08Å; Q258-A261 PolarHBondContact O-N 3.44Å; Q258-L262 PolarHBondContact O-N 3.31Å
259	R	37.8	Very low	39.1	Very low	178 Å²	178	91.7 Å²	91.7	67%	0.672	47%	0.472	S	S	*	.	H	α-helix	trans	-56.6	-31.6	174.4	-167	177.2	-176.5	-175.9	1.5	112.4	A261 L262 C263	R259-A261 VanDerWaalsContact C-N 3.28Å; R259-A261 PolarHBondContact O-N 2.99Å; R259-L262 PolarHBondContact O-N 3.41Å; R259-C263 PolarHBondContact O-N 3.22Å; R259-C263 PolarHBondContact O-SG 3.33Å; R259-C263 VanDerWaalsContact O-SG 3.37Å
260	S	40	Very low	39	Very low	52 Å²	52	97.9 Å²	97.9	36%	0.364	50%	0.503	S	S	.	.	H	α-helix	trans	-60.1	-30.7	175.4	59.7	0	0	0	0	114	Q258 R264	Q258-S260 VanDerWaalsContact CB-OG 3.27Å; Q258-S260 WeakPolarHBondContact CB-OG 3.24Å; Q258-S260 PolarHBondContact O-N 2.91Å; Q258-S260 PolarHBondContact OE1-OG 2.95Å; Q258-S260 VanDerWaalsContact OE1-OG 3.08Å; S260-R264 WeakPolarHBondContact O-CG 3.23Å
261	A	42.2	Very low	39	Very low	35 Å²	35	96.4 Å²	96.4	29%	0.289	51%	0.505	S	S	.	.	H	α-helix	trans	-82.7	-40.2	176.2	0	0	0	0	0	111.4	F256 Q258 R259 C263 R264 H265	F256-A261 HydrophobicContact CB-CB 4.14Å; F256-A261 HydrophobicContact CD1-CB 3.82Å; F256-A261 HydrophobicContact CG-CB 4.23Å; Q258-A261 PolarHBondContact O-N 3.44Å; R259-A261 VanDerWaalsContact C-N 3.28Å; R259-A261 PolarHBondContact O-N 2.99Å; A261-C263 VanDerWaalsContact C-N 3.28Å; A261-C263 PolarHBondContact O-N 3.15Å; A261-R264 PolarHBondContact O-N 3.25Å; A261-H265 PolarHBondContact O-N 3.17Å; A261-H265 VanDerWaalsContact O-N 3.07Å
262	L	42.8	Very low	39.2	Very low	40 Å²	40	99.1 Å²	99.1	21%	0.209	51%	0.513	C	S	.	.	H	α-helix	trans	-58.5	-39.6	172.6	179.2	59.7	0	0	0	111.6	C247 C249 F256 Q258 R259 R264 H265 P266	C247-L262 HydrophobicContact CB-CB 4.33Å; C247-L262 HydrophobicContact CB-CD2 3.87Å; C249-L262 HydrophobicContact CB-CD1 3.75Å; F256-L262 HydrophobicContact CD2-CB 3.97Å; F256-L262 HydrophobicContact CD2-CD1 3.9Å; F256-L262 HydrophobicContact CE2-CD1 3.92Å; F256-L262 HydrophobicContact CG-CB 4.4Å; Q258-L262 PolarHBondContact O-N 3.31Å; R259-L262 PolarHBondContact O-N 3.41Å; L262-R264 PolarHBondContact O-N 2.96Å; L262-H265 WeakPolarHBondContact O-CB 3.44Å; L262-H265 PolarHBondContact O-N 2.58Å; L262-P266 WeakPolarHBondContact O-CD 3.48Å
263	C	38.8	Very low	39.2	Very low	90 Å²	90	101.7 Å²	101.7	61%	0.608	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-14.2	174.6	-66.7	0	0	0	0	114.5	R259 A261	R259-C263 PolarHBondContact O-N 3.22Å; R259-C263 PolarHBondContact O-SG 3.33Å; R259-C263 VanDerWaalsContact O-SG 3.37Å; A261-C263 VanDerWaalsContact C-N 3.28Å; A261-C263 PolarHBondContact O-N 3.15Å
264	R	40.1	Very low	39.1	Very low	175 Å²	175	98.9 Å²	98.9	66%	0.66	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-26.1	173	-67.1	175.5	-159.2	-161.2	5.1	112.6	S260 A261 L262 P266 R267	S260-R264 WeakPolarHBondContact O-CG 3.23Å; A261-R264 PolarHBondContact O-N 3.25Å; L262-R264 PolarHBondContact O-N 2.96Å; R264-P266 VanDerWaalsContact C-CD 3.44Å; R264-P266 VanDerWaalsContact C-N 3.33Å; R264-R267 WeakPolarHBondContact O-CB 3.43Å; R264-R267 PolarHBondContact O-N 3.16Å
265	H	38.8	Very low	39.5	Very low	31 Å²	31	101 Å²	101	14%	0.144	52%	0.516	C	S	.	.	G	3₁₀ helix	trans	-52.1	-38	-179.7	-172	65.1	0	0	0	114.7	H252 F256 A261 L262 R267 I268	H252-H265 AromaticContact ND1-NE2 3.33Å; H252-H265 PolarHBondContact ND1-NE2 2.91Å; F256-H265 HydrophobicContact CE2-CB 4.27Å; F256-H265 HydrophobicContact CZ-CB 3.94Å; F256-H265 AromaticContact CZ-CG 3.71Å; F256-H265 AromaticContact CZ-ND1 3.61Å; A261-H265 PolarHBondContact O-N 3.17Å; A261-H265 VanDerWaalsContact O-N 3.07Å; L262-H265 WeakPolarHBondContact O-CB 3.44Å; L262-H265 PolarHBondContact O-N 2.58Å; H265-R267 PolarHBondContact O-N 2.96Å; H265-R267 VanDerWaalsContact O-N 3.11Å; H265-I268 WeakPolarHBondContact O-CB 3.48Å; H265-I268 PolarHBondContact O-N 3.09Å; H265-I268 VanDerWaalsContact O-N 3.14Å
266	P	41.8	Very low	39.9	Very low	78 Å²	78	99.3 Å²	99.3	51%	0.506	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-56.6	-24.9	173.6	-29	36.4	0	0	0	115.1	L262 R264 I268 H269	L262-P266 WeakPolarHBondContact O-CD 3.48Å; R264-P266 VanDerWaalsContact C-CD 3.44Å; R264-P266 VanDerWaalsContact C-N 3.33Å; P266-I268 PolarHBondContact O-N 3.19Å; P266-I268 VanDerWaalsContact O-N 3.11Å; P266-H269 WeakPolarHBondContact O-CB 3.32Å; P266-H269 PolarHBondContact O-N 2.84Å
267	R	36.9	Very low	40.1	Very low	192 Å²	192	97.9 Å²	97.9	73%	0.725	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-66.1	-13.3	179.3	-62	-173.4	177.3	-166.1	-2.8	113.4	R264 H265 H269 I270	R264-R267 WeakPolarHBondContact O-CB 3.43Å; R264-R267 PolarHBondContact O-N 3.16Å; H265-R267 PolarHBondContact O-N 2.96Å; H265-R267 VanDerWaalsContact O-N 3.11Å; R267-H269 VanDerWaalsContact C-N 3.28Å; R267-I270 HydrophobicContact CB-CD1 4.14Å; R267-I270 HydrophobicContact CG-CD1 4.39Å; R267-I270 WeakPolarHBondContact O-CG1 3.41Å
268	I	37.4	Very low	40.5	Very low	135 Å²	135	100.7 Å²	100.7	69%	0.692	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-76.6	-15.6	173	-55.7	174.3	0	0	0	111.6	H265 P266	H265-I268 WeakPolarHBondContact O-CB 3.48Å; H265-I268 PolarHBondContact O-N 3.09Å; H265-I268 VanDerWaalsContact O-N 3.14Å; P266-I268 PolarHBondContact O-N 3.19Å; P266-I268 VanDerWaalsContact O-N 3.11Å
269	H	39	Very low	40.6	Very low	70 Å²	70	102.1 Å²	102.1	32%	0.324	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-84.3	-7.1	176.3	-69.8	-101.4	0	0	0	114.1	H252 P266 R267 G271 K272	H252-H269 AromaticContact CE1-CE1 3.42Å; H252-H269 PolarHBondContact CE1-CE1 3.2Å; H252-H269 VanDerWaalsContact CE1-CE1 3.42Å; H252-H269 AromaticContact CE1-NE2 3.27Å; H252-H269 PolarHBondContact CE1-NE2 2.89Å; H252-H269 VanDerWaalsContact CE1-NE2 3.27Å; H252-H269 AromaticContact ND1-NE2 3.87Å; P266-H269 WeakPolarHBondContact O-CB 3.32Å; P266-H269 PolarHBondContact O-N 2.84Å; R267-H269 VanDerWaalsContact C-N 3.28Å; H269-G271 VanDerWaalsContact C-N 3.32Å; H269-G271 PolarHBondContact O-N 3.15Å; H269-K272 PolarHBondContact O-N 3.2Å
270	I	37.7	Very low	41	Very low	143 Å²	143	97 Å²	97	73%	0.733	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	88.3	177.4	-54.3	174.7	0	0	0	108.4	R267	R267-I270 HydrophobicContact CB-CD1 4.14Å; R267-I270 HydrophobicContact CG-CD1 4.39Å; R267-I270 WeakPolarHBondContact O-CG1 3.41Å
271	G	35.5	Very low	41.2	Very low	79 Å²	79	101.4 Å²	101.4	81%	0.814	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	153.6	-14	-174.6	0	0	0	0	0	115	H269	H269-G271 VanDerWaalsContact C-N 3.32Å; H269-G271 PolarHBondContact O-N 3.15Å
272	K	38.2	Very low	41.5	Very low	163 Å²	163	100.6 Å²	100.6	71%	0.709	52%	0.517	S	S	*	.	S	Bend	trans	-103.9	112.3	171.5	-69.6	-174.7	179.5	179.4	0	110.4	H269 L274	H269-K272 PolarHBondContact O-N 3.2Å; K272-L274 PolarHBondContact O-N 3.34Å; K272-L274 VanDerWaalsContact O-N 3.09Å
273	K	35.3	Very low	41.6	Very low	159 Å²	159	104.2 Å²	104.2	69%	0.691	54%	0.537	S	S	*	.			trans	-62.6	108.6	176.3	-167.5	172.3	-174.7	177.5	0	109.6	Y275	K273-Y275 HydrophobicContact CD-CE1 4.26Å; K273-Y275 HydrophobicContact CG-CE1 4.43Å; K273-Y275 HydrophobicContact CG-CE2 4.46Å; K273-Y275 WeakPolarHBondContact O-CE2 3.4Å
274	L	43.9	Very low	42	Very low	88 Å²	88	101.4 Å²	101.4	46%	0.461	52%	0.515	S	S	.	.			trans	-81.5	149.4	167.8	-61.7	178.4	0	0	0	109	K272 H285	K272-L274 PolarHBondContact O-N 3.34Å; K272-L274 VanDerWaalsContact O-N 3.09Å; L274-H285 WeakPolarHBondContact CD2-ND1 3.22Å
275	Y	44.2	Very low	42	Very low	79 Å²	79	100.2 Å²	100.2	31%	0.31	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.4	176.2	-57.6	-95.1	0	0	0	107.5	K273 F284 V290	K273-Y275 HydrophobicContact CD-CE1 4.26Å; K273-Y275 HydrophobicContact CG-CE1 4.43Å; K273-Y275 HydrophobicContact CG-CE2 4.46Å; K273-Y275 WeakPolarHBondContact O-CE2 3.4Å; Y275-F284 PolarHBondContact N-O 3.34Å; Y275-F284 PolarHBondContact O-N 3.36Å; Y275-V290 VanDerWaalsContact CB-CG2 3.44Å; Y275-V290 VanDerWaalsContact O-CG2 3.32Å; Y275-V290 WeakPolarHBondContact O-CG2 3.17Å
276	G	46	Very low	42.2	Very low	36 Å²	36	104.2 Å²	104.2	37%	0.371	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	175.9	179.4	0	0	0	0	0	113	S282 V290	G276-S282 WeakPolarHBondContact CA-O 3.17Å; G276-V290 VanDerWaalsContact O-CG1 3.29Å; G276-V290 WeakPolarHBondContact O-CG1 3.49Å; G276-V290 VanDerWaalsContact O-CG2 3.3Å; G276-V290 WeakPolarHBondContact O-CG2 3.48Å
277	C	45.7	Very low	42.2	Very low	12 Å²	12	103.8 Å²	103.8	8%	0.081	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.4	166.6	-174.8	0	0	0	0	109.6	K279 V280 S282	C277-K279 PolarHBondContact O-N 3.34Å; C277-V280 PolarHBondContact O-N 2.88Å; C277-S282 PolarHBondContact N-O 3Å
278	D	46.3	Very low	42.6	Very low	157 Å²	157	97.9 Å²	97.9	84%	0.84	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-0.1	-170.4	-39.9	-73.9	0	0	0	114.2
279	K	44.4	Very low	43.2	Very low	153 Å²	153	92.5 Å²	92.5	67%	0.665	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-12.7	178.6	-64.9	-173.7	177.5	-176.6	0	114.2	C277 H297	C277-K279 PolarHBondContact O-N 3.34Å; K279-H297 HydrophobicContact CD-CB 4.23Å
280	V	45.4	Very low	43.8	Very low	70 Å²	70	89.8 Å²	89.8	42%	0.424	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	131.5	-179.2	-168.5	0	0	0	0	110	C277 S282	C277-V280 PolarHBondContact O-N 2.88Å; V280-S282 VanDerWaalsContact C-N 3.27Å; V280-S282 WeakPolarHBondContact O-CB 3.2Å; V280-S282 PolarHBondContact O-N 3.47Å; V280-S282 PolarHBondContact O-OG 3.44Å
281	D	44.9	Very low	44.6	Very low	144 Å²	144	89.1 Å²	89.1	77%	0.77	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.4	80.4	175.2	-79	-43.8	0	0	0	113.1
282	S	47.3	Very low	45.5	Very low	18 Å²	18	89 Å²	89	13%	0.126	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	125.8	-168.5	58.6	0	0	0	0	110	G276 C277 V280	G276-S282 WeakPolarHBondContact CA-O 3.17Å; C277-S282 PolarHBondContact N-O 3Å; V280-S282 VanDerWaalsContact C-N 3.27Å; V280-S282 WeakPolarHBondContact O-CB 3.2Å; V280-S282 PolarHBondContact O-N 3.47Å; V280-S282 PolarHBondContact O-OG 3.44Å
283	N	46.8	Very low	46.5	Very low	117 Å²	117	81.8 Å²	81.8	63%	0.626	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.4	-171.5	-81.8	-77	0	0	0	110.9
284	F	45.3	Very low	47.5	Very low	31 Å²	31	77.7 Å²	77.7	14%	0.136	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.5	-173.4	-57.8	-102.7	0	0	0	111.1	Y275 Q286 V290 H293	Y275-F284 PolarHBondContact N-O 3.34Å; Y275-F284 PolarHBondContact O-N 3.36Å; F284-Q286 VanDerWaalsContact C-N 3.32Å; F284-Q286 PolarHBondContact O-N 3.09Å; F284-V290 HydrophobicContact CB-CG2 3.94Å; F284-V290 HydrophobicContact CD2-CG2 3.45Å; F284-V290 VanDerWaalsContact CD2-CG2 3.45Å; F284-V290 HydrophobicContact CE2-CG2 4.19Å; F284-V290 HydrophobicContact CG-CG2 3.87Å; F284-H293 HydrophobicContact CE1-CB 3.98Å; F284-H293 HydrophobicContact CE2-CB 4.28Å; F284-H293 HydrophobicContact CZ-CB 3.56Å; F284-H293 AromaticContact CZ-CG 3.57Å; F284-H293 AromaticContact CZ-ND1 3.94Å
285	H	40.9	Very low	48.2	Very low	149 Å²	149	78 Å²	78	69%	0.69	41%	0.406	S	S	*	.	S	Bend	trans	-81.8	-4.9	-179.7	-64.7	-42.4	0	0	0	114.6	L274	L274-H285 WeakPolarHBondContact CD2-ND1 3.22Å
286	Q	43.7	Very low	48.8	Very low	116 Å²	116	76.3 Å²	76.3	54%	0.542	40%	0.404	S	S	.	.	S	Bend	trans	-145.6	144.2	178.8	-57.9	-177.7	23	0	0	109.8	F284 S288 G289	F284-Q286 VanDerWaalsContact C-N 3.32Å; F284-Q286 PolarHBondContact O-N 3.09Å; Q286-S288 VanDerWaalsContact C-N 3.26Å; Q286-S288 VanDerWaalsContact CB-OG 3.32Å; Q286-S288 WeakPolarHBondContact CB-OG 3.3Å; Q286-S288 PolarHBondContact O-N 3.05Å; Q286-S288 PolarHBondContact OE1-OG 2.84Å; Q286-G289 PolarHBondContact O-N 3.12Å
287	S	42.3	Very low	49.3	Very low	68 Å²	68	78 Å²	78	48%	0.476	40%	0.402	S	S	.	.	H	α-helix	trans	-61.5	-33.6	177.6	48.9	0	0	0	0	113	G289 V290 H291	S287-G289 PolarHBondContact O-N 3.14Å; S287-V290 PolarHBondContact O-N 2.89Å; S287-H291 PolarHBondContact O-N 3.2Å
288	S	45.2	Very low	49.9	Very low	68 Å²	68	83.2 Å²	83.2	48%	0.476	43%	0.428	S	S	.	.	H	α-helix	trans	-54.2	-34	170.6	50.2	0	0	0	0	113	Q286 F292	Q286-S288 VanDerWaalsContact C-N 3.26Å; Q286-S288 VanDerWaalsContact CB-OG 3.32Å; Q286-S288 WeakPolarHBondContact CB-OG 3.3Å; Q286-S288 PolarHBondContact O-N 3.05Å; Q286-S288 PolarHBondContact OE1-OG 2.84Å; S288-F292 VanDerWaalsContact O-CB 3.32Å; S288-F292 WeakPolarHBondContact O-CB 3.5Å; S288-F292 PolarHBondContact O-N 3.08Å
289	G	49	Very low	50.3	Low	23 Å²	23	78.8 Å²	78.8	24%	0.237	42%	0.419	C	S	.	.	H	α-helix	trans	-70.1	-44.6	176.9	0	0	0	0	0	112.9	Q286 S287 F292 H293	Q286-G289 PolarHBondContact O-N 3.12Å; S287-G289 PolarHBondContact O-N 3.14Å; G289-F292 PolarHBondContact O-N 2.83Å; G289-H293 WeakPolarHBondContact O-CB 3.12Å; G289-H293 PolarHBondContact O-N 3.43Å
290	V	51.7	Low	50.7	Low	12 Å²	12	76.6 Å²	76.6	7%	0.073	41%	0.411	C	S	.	.	H	α-helix	trans	-63.7	-48.7	174.1	168.9	0	0	0	0	110.7	Y275 G276 F284 S287 F292 H293 Q294	Y275-V290 VanDerWaalsContact CB-CG2 3.44Å; Y275-V290 VanDerWaalsContact O-CG2 3.32Å; Y275-V290 WeakPolarHBondContact O-CG2 3.17Å; G276-V290 VanDerWaalsContact O-CG1 3.29Å; G276-V290 WeakPolarHBondContact O-CG1 3.49Å; G276-V290 VanDerWaalsContact O-CG2 3.3Å; G276-V290 WeakPolarHBondContact O-CG2 3.48Å; F284-V290 HydrophobicContact CB-CG2 3.94Å; F284-V290 HydrophobicContact CD2-CG2 3.45Å; F284-V290 VanDerWaalsContact CD2-CG2 3.45Å; F284-V290 HydrophobicContact CE2-CG2 4.19Å; F284-V290 HydrophobicContact CG-CG2 3.87Å; S287-V290 PolarHBondContact O-N 2.89Å; V290-F292 VanDerWaalsContact C-N 3.25Å; V290-F292 PolarHBondContact O-N 2.82Å; V290-H293 CarbonylContact O-C 3.57Å; V290-H293 PolarHBondContact O-N 2.85Å; V290-Q294 HydrophobicContact CG1-CG 3.99Å; V290-Q294 WeakPolarHBondContact O-CB 3.47Å; V290-Q294 WeakPolarHBondContact O-CG 3.47Å; V290-Q294 PolarHBondContact O-N 3.25Å
291	H	55	Low	51.3	Low	130 Å²	130	73.9 Å²	73.9	60%	0.602	40%	0.395	S	S	*	.	H	α-helix	trans	-60.7	-37	-179.3	-162.7	-99	0	0	0	111.5	S287 R295	S287-H291 PolarHBondContact O-N 3.2Å; H291-R295 WeakPolarHBondContact O-CG 3.5Å
292	F	54.6	Low	52	Low	76 Å²	76	71.4 Å²	71.4	33%	0.333	39%	0.386	S	S	.	.	H	α-helix	trans	-72.9	-30.9	174.1	-164.3	-93.1	0	0	0	113.6	S288 G289 V290 V301 S311	S288-F292 VanDerWaalsContact O-CB 3.32Å; S288-F292 WeakPolarHBondContact O-CB 3.5Å; S288-F292 PolarHBondContact O-N 3.08Å; G289-F292 PolarHBondContact O-N 2.83Å; V290-F292 VanDerWaalsContact C-N 3.25Å; V290-F292 PolarHBondContact O-N 2.82Å; F292-V301 HydrophobicContact CE1-CG1 3.98Å; F292-V301 HydrophobicContact CZ-CG1 3.79Å; F292-S311 WeakPolarHBondContact CE1-O 3.31Å
293	H	57.8	Low	52.9	Low	12 Å²	12	74.4 Å²	74.4	6%	0.056	40%	0.396	C	S	.	.	H	α-helix	trans	-72.6	-43.6	174.2	174.5	80.1	0	0	0	112.2	F284 G289 V290 R295 V296 H297 G309	F284-H293 HydrophobicContact CE1-CB 3.98Å; F284-H293 HydrophobicContact CE2-CB 4.28Å; F284-H293 HydrophobicContact CZ-CB 3.56Å; F284-H293 AromaticContact CZ-CG 3.57Å; F284-H293 AromaticContact CZ-ND1 3.94Å; G289-H293 WeakPolarHBondContact O-CB 3.12Å; G289-H293 PolarHBondContact O-N 3.43Å; V290-H293 CarbonylContact O-C 3.57Å; V290-H293 PolarHBondContact O-N 2.85Å; H293-R295 PolarHBondContact O-N 2.54Å; H293-R295 VanDerWaalsContact O-N 3.11Å; H293-V296 WeakPolarHBondContact O-CB 3.5Å; H293-V296 WeakPolarHBondContact O-CG2 3.47Å; H293-V296 PolarHBondContact O-N 2.83Å; H293-H297 AromaticContact NE2-NE2 3.72Å; H293-G309 PolarHBondContact CE1-O 3.04Å; H293-G309 PolarHBondContact ND1-O 2.82Å
294	Q	56.3	Low	53.6	Low	72 Å²	72	71.2 Å²	71.2	34%	0.336	38%	0.383	S	S	.	.	H	α-helix	trans	-56.2	-29.2	177.4	-76.3	171.7	-33.4	0	0	112.8	V290 V296 H297	V290-Q294 HydrophobicContact CG1-CG 3.99Å; V290-Q294 WeakPolarHBondContact O-CB 3.47Å; V290-Q294 WeakPolarHBondContact O-CG 3.47Å; V290-Q294 PolarHBondContact O-N 3.25Å; Q294-V296 PolarHBondContact O-N 2.9Å; Q294-V296 VanDerWaalsContact O-N 3.12Å; Q294-H297 WeakPolarHBondContact O-CB 3.35Å; Q294-H297 PolarHBondContact O-N 3.25Å
295	R	59.9	Low	54.5	Low	96 Å²	96	69.9 Å²	69.9	36%	0.362	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.2	172.9	-67.2	-177.7	80.8	-173	5.3	114.5	H291 H293 I298 G299 E300 V301	H291-R295 WeakPolarHBondContact O-CG 3.5Å; H293-R295 PolarHBondContact O-N 2.54Å; H293-R295 VanDerWaalsContact O-N 3.11Å; R295-I298 HydrophobicContact CG-CD1 4.46Å; R295-I298 WeakPolarHBondContact O-CG1 3.45Å; R295-G299 PolarHBondContact O-N 3.27Å; R295-E300 HydrophobicContact CB-CB 4.35Å; R295-E300 IonicContact CZ-OE2 2.64Å; R295-E300 IonicContact NE-OE2 3.55Å; R295-E300 PolarHBondContact NE-OE2 2.97Å; R295-E300 VanDerWaalsContact NH2-CD 3.32Å; R295-E300 IonicContact NH2-OE1 2.61Å; R295-E300 IonicContact NH2-OE2 2.9Å; R295-E300 PolarHBondContact NH2-OE2 2.5Å; R295-E300 PolarHBondContact O-N 3.25Å; R295-V301 VanDerWaalsContact C-CG2 3.49Å; R295-V301 HydrophobicContact CB-CG2 3.6Å
296	V	55.3	Low	55.1	Low	43 Å²	43	70.3 Å²	70.3	26%	0.261	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-37.2	171	178.8	0	0	0	0	111.2	H293 Q294 I298 G299 V301 S311	H293-V296 WeakPolarHBondContact O-CB 3.5Å; H293-V296 WeakPolarHBondContact O-CG2 3.47Å; H293-V296 PolarHBondContact O-N 2.83Å; Q294-V296 PolarHBondContact O-N 2.9Å; Q294-V296 VanDerWaalsContact O-N 3.12Å; V296-I298 PolarHBondContact O-N 3.31Å; V296-G299 PolarHBondContact O-N 3.12Å; V296-V301 HydrophobicContact CB-CG2 4.48Å; V296-V301 HydrophobicContact CG2-CB 4.18Å; V296-V301 HydrophobicContact CG2-CG2 3.64Å; V296-S311 WeakPolarHBondContact CG2-OG 3.31Å
297	H	56.7	Low	55.6	Low	72 Å²	72	67.8 Å²	67.8	33%	0.333	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-7.2	178.7	-58.9	-55.4	0	0	0	113.9	K279 H293 Q294	K279-H297 HydrophobicContact CD-CB 4.23Å; H293-H297 AromaticContact NE2-NE2 3.72Å; Q294-H297 WeakPolarHBondContact O-CB 3.35Å; Q294-H297 PolarHBondContact O-N 3.25Å
298	I	58.9	Low	56.2	Low	120 Å²	120	67.4 Å²	67.4	62%	0.615	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	12.6	170.7	57.1	168.5	0	0	0	112.4	R295 V296 E300	R295-I298 HydrophobicContact CG-CD1 4.46Å; R295-I298 WeakPolarHBondContact O-CG1 3.45Å; V296-I298 PolarHBondContact O-N 3.31Å; I298-E300 VanDerWaalsContact C-N 3.33Å; I298-E300 HydrophobicContact CD1-CG 4.01Å; I298-E300 WeakPolarHBondContact CD1-OE2 3.4Å; I298-E300 HydrophobicContact CG1-CG 4.06Å; I298-E300 PolarHBondContact O-N 2.89Å
299	G	55	Low	56.7	Low	64 Å²	64	65.3 Å²	65.3	66%	0.66	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	3	171.2	0	0	0	0	0	117.1	R295 V296 V301	R295-G299 PolarHBondContact O-N 3.27Å; V296-G299 PolarHBondContact O-N 3.12Å; G299-V301 VanDerWaalsContact C-N 3.34Å; G299-V301 PolarHBondContact O-N 3.1Å
300	E	53.4	Low	57	Low	107 Å²	107	69.3 Å²	69.3	50%	0.5	38%	0.38	S	S	.	.			trans	-81	-5.9	-170.9	-64.3	-170.3	129.6	0	0	115.3	R295 I298	R295-E300 HydrophobicContact CB-CB 4.35Å; R295-E300 IonicContact CZ-OE2 2.64Å; R295-E300 IonicContact NE-OE2 3.55Å; R295-E300 PolarHBondContact NE-OE2 2.97Å; R295-E300 VanDerWaalsContact NH2-CD 3.32Å; R295-E300 IonicContact NH2-OE1 2.61Å; R295-E300 IonicContact NH2-OE2 2.9Å; R295-E300 PolarHBondContact NH2-OE2 2.5Å; R295-E300 PolarHBondContact O-N 3.25Å; I298-E300 VanDerWaalsContact C-N 3.33Å; I298-E300 HydrophobicContact CD1-CG 4.01Å; I298-E300 WeakPolarHBondContact CD1-OE2 3.4Å; I298-E300 HydrophobicContact CG1-CG 4.06Å; I298-E300 PolarHBondContact O-N 2.89Å
301	V	57.9	Low	57.1	Low	13 Å²	13	69.3 Å²	69.3	8%	0.079	38%	0.381	C	S	.	.			trans	-124.7	110.6	179.5	-122.5	0	0	0	0	109.6	F292 R295 V296 G299 Y303	F292-V301 HydrophobicContact CE1-CG1 3.98Å; F292-V301 HydrophobicContact CZ-CG1 3.79Å; R295-V301 VanDerWaalsContact C-CG2 3.49Å; R295-V301 HydrophobicContact CB-CG2 3.6Å; V296-V301 HydrophobicContact CB-CG2 4.48Å; V296-V301 HydrophobicContact CG2-CB 4.18Å; V296-V301 HydrophobicContact CG2-CG2 3.64Å; G299-V301 VanDerWaalsContact C-N 3.34Å; G299-V301 PolarHBondContact O-N 3.1Å; V301-Y303 VanDerWaalsContact C-N 3.28Å; V301-Y303 PolarHBondContact O-N 2.95Å
302	P	58.4	Low	57.4	Low	92 Å²	92	64.5 Å²	64.5	60%	0.597	36%	0.358	S	S	*	.			trans	-76.5	-6	-167.3	-14.6	28.3	0	0	0	115.8
303	Y	66.1	Low	57.2	Low	82 Å²	82	64.6 Å²	64.6	32%	0.322	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	124.3	-169.7	-50.3	-71.9	0	0	0	111.4	V301 S311 F312 R314 I315	V301-Y303 VanDerWaalsContact C-N 3.28Å; V301-Y303 PolarHBondContact O-N 2.95Å; Y303-S311 CarbonylContact O-C 3.45Å; Y303-F312 WeakPolarHBondContact CB-O 3.48Å; Y303-F312 PolarHBondContact O-N 3.34Å; Y303-R314 VanDerWaalsContact CD2-C 3.49Å; Y303-I315 HydrophobicContact CD1-CB 3.78Å; Y303-I315 HydrophobicContact CD1-CD1 4.32Å; Y303-I315 HydrophobicContact CD1-CG1 3.95Å; Y303-I315 HydrophobicContact CD2-CB 4.36Å; Y303-I315 VanDerWaalsContact CD2-N 3.32Å; Y303-I315 HydrophobicContact CE1-CB 3.59Å; Y303-I315 HydrophobicContact CE1-CD1 3.96Å; Y303-I315 HydrophobicContact CE1-CG1 3.95Å; Y303-I315 HydrophobicContact CE2-CB 4.18Å; Y303-I315 HydrophobicContact CG-CB 4.18Å
304	S	61.9	Low	57	Low	50 Å²	50	71.4 Å²	71.4	35%	0.35	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	151.3	178.8	55.7	0	0	0	0	111.9	K310 L318	S304-K310 CarbonylContact C-O 3.55Å; S304-K310 WeakPolarHBondContact CA-O 3.47Å; S304-L318 WeakPolarHBondContact O-CD1 3.5Å; S304-L318 WeakPolarHBondContact O-CD2 3.31Å
305	C	63.3	Low	56.7	Low	2 Å²	2	71.8 Å²	71.8	1%	0.014	40%	0.397	C	S	.	.			trans	-95.3	106.5	178.1	-170.2	0	0	0	0	112.1	A307 C308 G309 K310 F312 L318 H321	C305-A307 PolarHBondContact O-N 3.29Å; C305-C308 PolarHBondContact O-N 3.19Å; C305-C308 VanDerWaalsContact O-N 3.1Å; C305-G309 PolarHBondContact O-N 3.09Å; C305-K310 PolarHBondContact N-O 3.49Å; C305-F312 HydrophobicContact CB-CE2 4.29Å; C305-L318 HydrophobicContact CB-CD1 3.64Å; C305-H321 PolarHBondContact SG-NE2 2.82Å
306	N	55.4	Low	56.1	Low	158 Å²	158	70.4 Å²	70.4	85%	0.845	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-16.6	179.7	-57.3	0	0	0	0	113.9
307	A	52.6	Low	55.9	Low	64 Å²	64	70.1 Å²	70.1	53%	0.529	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-12.3	-180	0	0	0	0	0	114.9	C305 H325	C305-A307 PolarHBondContact O-N 3.29Å; A307-H325 HydrophobicContact CB-CB 4.45Å
308	C	56.2	Low	55.9	Low	59 Å²	59	67.3 Å²	67.3	40%	0.399	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.4	11.1	175.5	71.5	0	0	0	0	116.6	C305 K310 H321	C305-C308 PolarHBondContact O-N 3.19Å; C305-C308 VanDerWaalsContact O-N 3.1Å; C308-K310 PolarHBondContact O-N 3.13Å; C308-H321 VanDerWaalsContact SG-CE1 3.55Å; C308-H321 PolarHBondContact SG-NE2 2.82Å
309	G	54	Low	55.6	Low	25 Å²	25	66.5 Å²	66.5	26%	0.258	38%	0.383	S	S	.	.			trans	73.9	-0.8	175.8	0	0	0	0	0	116.1	H293 C305	H293-G309 PolarHBondContact CE1-O 3.04Å; H293-G309 PolarHBondContact ND1-O 2.82Å; C305-G309 PolarHBondContact O-N 3.09Å
310	K	55.7	Low	55.4	Low	107 Å²	107	68.4 Å²	68.4	47%	0.465	38%	0.378	S	S	.	.			trans	-69.1	134.1	179.7	-73	-171.5	177.1	-169.5	0	112.3	S304 C305 C308 F312	S304-K310 CarbonylContact C-O 3.55Å; S304-K310 WeakPolarHBondContact CA-O 3.47Å; C305-K310 PolarHBondContact N-O 3.49Å; C308-K310 PolarHBondContact O-N 3.13Å; K310-F312 HydrophobicContact CB-CE2 3.73Å; K310-F312 HydrophobicContact CB-CZ 3.86Å; K310-F312 VanDerWaalsContact O-CE2 3.28Å; K310-F312 WeakPolarHBondContact O-CE2 3.22Å
311	S	54.8	Low	55.5	Low	12 Å²	12	64.6 Å²	64.6	8%	0.084	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	150.2	-177.6	-34.6	0	0	0	0	111.3	F292 V296 Y303	F292-S311 WeakPolarHBondContact CE1-O 3.31Å; V296-S311 WeakPolarHBondContact CG2-OG 3.31Å; Y303-S311 CarbonylContact O-C 3.45Å
312	F	60.5	Low	55.3	Low	28 Å²	28	67.5 Å²	67.5	12%	0.123	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	139	-177.5	-61	-83.7	0	0	0	111.4	Y303 C305 K310 R314 L318 H321	Y303-F312 WeakPolarHBondContact CB-O 3.48Å; Y303-F312 PolarHBondContact O-N 3.34Å; C305-F312 HydrophobicContact CB-CE2 4.29Å; K310-F312 HydrophobicContact CB-CE2 3.73Å; K310-F312 HydrophobicContact CB-CZ 3.86Å; K310-F312 VanDerWaalsContact O-CE2 3.28Å; K310-F312 WeakPolarHBondContact O-CE2 3.22Å; F312-R314 PolarHBondContact O-N 3.44Å; F312-L318 HydrophobicContact CB-CB 4.33Å; F312-L318 HydrophobicContact CD2-CB 4.02Å; F312-L318 HydrophobicContact CD2-CD1 3.93Å; F312-L318 HydrophobicContact CE2-CD1 4.17Å; F312-L318 HydrophobicContact CG-CB 4.31Å; F312-H321 HydrophobicContact CE1-CB 4.04Å; F312-H321 HydrophobicContact CE2-CB 4.08Å; F312-H321 AromaticContact CE2-CD2 3.24Å; F312-H321 WeakPolarHBondContact CE2-CD2 3.2Å; F312-H321 AromaticContact CE2-CG 3.8Å; F312-H321 HydrophobicContact CZ-CB 3.56Å; F312-H321 AromaticContact CZ-CD2 3.25Å; F312-H321 WeakPolarHBondContact CZ-CD2 3.29Å; F312-H321 AromaticContact CZ-CG 3.34Å
313	S	51	Low	55	Low	78 Å²	78	68.6 Å²	68.6	55%	0.545	37%	0.365	S	S	.	.	S	Bend	trans	-78.6	-3.7	176.1	54.8	0	0	0	0	114.2
314	R	53.1	Low	54.2	Low	156 Å²	156	69.9 Å²	69.9	59%	0.589	38%	0.381	S	S	*	.	S	Bend	trans	-146.4	135.7	-178.4	-63.4	-177.8	178.8	164.8	-0.2	111.3	Y303 F312 S316 S317 L318	Y303-R314 VanDerWaalsContact CD2-C 3.49Å; F312-R314 PolarHBondContact O-N 3.44Å; R314-S316 PolarHBondContact O-N 3.47Å; R314-S317 WeakPolarHBondContact O-CB 3.47Å; R314-S317 PolarHBondContact O-N 3.06Å; R314-L318 PolarHBondContact O-N 3.33Å
315	I	51.2	Low	53.7	Low	79 Å²	79	71.8 Å²	71.8	41%	0.405	38%	0.384	S	S	.	.	H	α-helix	trans	-59	-34.3	178	-163.7	169.1	0	0	0	112.8	Y303 S317 L318 H319	Y303-I315 HydrophobicContact CD1-CB 3.78Å; Y303-I315 HydrophobicContact CD1-CD1 4.32Å; Y303-I315 HydrophobicContact CD1-CG1 3.95Å; Y303-I315 HydrophobicContact CD2-CB 4.36Å; Y303-I315 VanDerWaalsContact CD2-N 3.32Å; Y303-I315 HydrophobicContact CE1-CB 3.59Å; Y303-I315 HydrophobicContact CE1-CD1 3.96Å; Y303-I315 HydrophobicContact CE1-CG1 3.95Å; Y303-I315 HydrophobicContact CE2-CB 4.18Å; Y303-I315 HydrophobicContact CG-CB 4.18Å; I315-S317 VanDerWaalsContact C-N 3.3Å; I315-S317 PolarHBondContact O-N 2.85Å; I315-L318 WeakPolarHBondContact O-CB 3.24Å; I315-L318 PolarHBondContact O-N 2.95Å; I315-H319 PolarHBondContact O-N 3.26Å
316	S	47	Very low	53	Low	67 Å²	67	75.3 Å²	75.3	47%	0.469	41%	0.406	S	S	.	.	H	α-helix	trans	-68.3	-26.6	176.1	53.5	0	0	0	0	113.4	R314 N320	R314-S316 PolarHBondContact O-N 3.47Å; S316-N320 WeakPolarHBondContact O-CB 3.31Å; S316-N320 PolarHBondContact O-N 2.84Å; S316-N320 PolarHBondContact O-ND2 3.36Å
317	S	50.9	Low	52.3	Low	38 Å²	38	76.5 Å²	76.5	27%	0.266	41%	0.406	S	S	.	.	H	α-helix	trans	-73.7	-41.3	169.5	-64	0	0	0	0	110.9	R314 I315 N320 H321	R314-S317 WeakPolarHBondContact O-CB 3.47Å; R314-S317 PolarHBondContact O-N 3.06Å; I315-S317 VanDerWaalsContact C-N 3.3Å; I315-S317 PolarHBondContact O-N 2.85Å; S317-N320 PolarHBondContact O-N 3.38Å; S317-H321 WeakPolarHBondContact O-CB 3.29Å; S317-H321 PolarHBondContact O-N 2.91Å
318	L	55.8	Low	51.5	Low	13 Å²	13	78.4 Å²	78.4	7%	0.068	40%	0.404	C	S	.	.	H	α-helix	trans	-60.1	-48.8	173.9	173.8	59.9	0	0	0	111.8	S304 C305 F312 R314 I315 N320 H321 Q322	S304-L318 WeakPolarHBondContact O-CD1 3.5Å; S304-L318 WeakPolarHBondContact O-CD2 3.31Å; C305-L318 HydrophobicContact CB-CD1 3.64Å; F312-L318 HydrophobicContact CB-CB 4.33Å; F312-L318 HydrophobicContact CD2-CB 4.02Å; F312-L318 HydrophobicContact CD2-CD1 3.93Å; F312-L318 HydrophobicContact CE2-CD1 4.17Å; F312-L318 HydrophobicContact CG-CB 4.31Å; R314-L318 PolarHBondContact O-N 3.33Å; I315-L318 WeakPolarHBondContact O-CB 3.24Å; I315-L318 PolarHBondContact O-N 2.95Å; L318-N320 PolarHBondContact O-N 3.01Å; L318-H321 CarbonylContact O-C 3.41Å; L318-H321 PolarHBondContact O-N 2.94Å; L318-H321 VanDerWaalsContact O-N 3.12Å; L318-Q322 HydrophobicContact CD1-CG 3.92Å; L318-Q322 HydrophobicContact CG-CG 4.31Å; L318-Q322 WeakPolarHBondContact O-CG 3.45Å; L318-Q322 PolarHBondContact O-N 3.11Å
319	H	52.4	Low	50.4	Low	103 Å²	103	84.6 Å²	84.6	48%	0.477	42%	0.424	S	S	.	.	H	α-helix	trans	-61.3	-42.9	179	-71	-174.9	0	0	0	112.3	I315 H321 Q322 R323	I315-H319 PolarHBondContact O-N 3.26Å; H319-H321 VanDerWaalsContact C-N 3.29Å; H319-H321 PolarHBondContact O-N 2.94Å; H319-Q322 PolarHBondContact CD2-OE1 3.39Å; H319-Q322 PolarHBondContact O-N 3Å; H319-R323 PolarHBondContact O-N 3.29Å
320	N	51.2	Low	49.4	Very low	103 Å²	103	90.4 Å²	90.4	55%	0.551	44%	0.443	S	S	*	.	H	α-helix	trans	-65.4	-32.5	175	-80.4	-60.8	0	0	0	112.6	S316 S317 L318	S316-N320 WeakPolarHBondContact O-CB 3.31Å; S316-N320 PolarHBondContact O-N 2.84Å; S316-N320 PolarHBondContact O-ND2 3.36Å; S317-N320 PolarHBondContact O-N 3.38Å; L318-N320 PolarHBondContact O-N 3.01Å
321	H	56.8	Low	48.1	Very low	28 Å²	28	96 Å²	96	13%	0.13	46%	0.463	C	S	.	.	H	α-helix	trans	-76.2	-36.3	175.1	168.6	54.4	0	0	0	113	C305 C308 F312 S317 L318 H319 R323 V324 H325	C305-H321 PolarHBondContact SG-NE2 2.82Å; C308-H321 VanDerWaalsContact SG-CE1 3.55Å; C308-H321 PolarHBondContact SG-NE2 2.82Å; F312-H321 HydrophobicContact CE1-CB 4.04Å; F312-H321 HydrophobicContact CE2-CB 4.08Å; F312-H321 AromaticContact CE2-CD2 3.24Å; F312-H321 WeakPolarHBondContact CE2-CD2 3.2Å; F312-H321 AromaticContact CE2-CG 3.8Å; F312-H321 HydrophobicContact CZ-CB 3.56Å; F312-H321 AromaticContact CZ-CD2 3.25Å; F312-H321 WeakPolarHBondContact CZ-CD2 3.29Å; F312-H321 AromaticContact CZ-CG 3.34Å; S317-H321 WeakPolarHBondContact O-CB 3.29Å; S317-H321 PolarHBondContact O-N 2.91Å; L318-H321 CarbonylContact O-C 3.41Å; L318-H321 PolarHBondContact O-N 2.94Å; L318-H321 VanDerWaalsContact O-N 3.12Å; H319-H321 VanDerWaalsContact C-N 3.29Å; H319-H321 PolarHBondContact O-N 2.94Å; H321-R323 PolarHBondContact O-N 3.31Å; H321-V324 WeakPolarHBondContact O-CB 3.34Å; H321-V324 WeakPolarHBondContact O-CG2 3.41Å; H321-V324 PolarHBondContact O-N 3.44Å; H321-H325 AromaticContact CE1-NE2 3.72Å; H321-H325 AromaticContact NE2-NE2 3.79Å
322	Q	52.7	Low	47.1	Very low	74 Å²	74	103 Å²	103	35%	0.346	49%	0.492	S	S	.	.	H	α-helix	trans	-58.8	-30.2	173.9	-77.8	167.4	-31.4	0	0	112	L318 H319 V324 H325	L318-Q322 HydrophobicContact CD1-CG 3.92Å; L318-Q322 HydrophobicContact CG-CG 4.31Å; L318-Q322 WeakPolarHBondContact O-CG 3.45Å; L318-Q322 PolarHBondContact O-N 3.11Å; H319-Q322 PolarHBondContact CD2-OE1 3.39Å; H319-Q322 PolarHBondContact O-N 3Å; Q322-V324 PolarHBondContact O-N 2.79Å; Q322-V324 VanDerWaalsContact O-N 3.14Å; Q322-H325 WeakPolarHBondContact O-CB 3.48Å; Q322-H325 PolarHBondContact O-N 3.36Å
323	R	53.3	Low	45.8	Very low	114 Å²	114	105.5 Å²	105.5	43%	0.43	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.3	172.2	-68.4	177.3	69	-155.6	5.5	114.8	H319 H321 H325 T326 E328	H319-R323 PolarHBondContact O-N 3.29Å; H321-R323 PolarHBondContact O-N 3.31Å; R323-H325 VanDerWaalsContact C-N 3.26Å; R323-T326 WeakPolarHBondContact CA-OG1 3.36Å; R323-T326 VanDerWaalsContact O-O 3.14Å; R323-T326 PolarHBondContact O-OG1 3.28Å; R323-E328 IonicContact CZ-OE2 2.82Å; R323-E328 IonicContact NE-OE2 2.71Å; R323-E328 PolarHBondContact NE-OE2 3.19Å; R323-E328 IonicContact NH2-OE1 3.55Å; R323-E328 IonicContact NH2-OE2 3.87Å; R323-E328 PolarHBondContact NH2-OE2 3.47Å
324	V	49.3	Very low	44.9	Very low	110 Å²	110	108.4 Å²	108.4	67%	0.667	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-17.2	169.7	-174.5	0	0	0	0	111.8	H321 Q322	H321-V324 WeakPolarHBondContact O-CB 3.34Å; H321-V324 WeakPolarHBondContact O-CG2 3.41Å; H321-V324 PolarHBondContact O-N 3.44Å; Q322-V324 PolarHBondContact O-N 2.79Å; Q322-V324 VanDerWaalsContact O-N 3.14Å
325	H	51.3	Low	44	Very low	90 Å²	90	103.5 Å²	103.5	42%	0.417	50%	0.499	S	S	.	.	S	Bend	trans	-98.6	-8.7	177.5	-63.1	-79.2	0	0	0	113.6	A307 H321 Q322 R323	A307-H325 HydrophobicContact CB-CB 4.45Å; H321-H325 AromaticContact CE1-NE2 3.72Å; H321-H325 AromaticContact NE2-NE2 3.79Å; Q322-H325 WeakPolarHBondContact O-CB 3.48Å; Q322-H325 PolarHBondContact O-N 3.36Å; R323-H325 VanDerWaalsContact C-N 3.26Å
326	T	46.9	Very low	43.3	Very low	76 Å²	76	107.2 Å²	107.2	47%	0.466	52%	0.52	S	S	.	.	S	Bend	trans	-101.6	139.3	171.9	54.4	0	0	0	0	110.2	R323 E328	R323-T326 WeakPolarHBondContact CA-OG1 3.36Å; R323-T326 VanDerWaalsContact O-O 3.14Å; R323-T326 PolarHBondContact O-OG1 3.28Å; T326-E328 PolarHBondContact O-N 2.98Å
327	E	42.2	Very low	43	Very low	182 Å²	182	110.4 Å²	110.4	85%	0.85	53%	0.525	S	S	*	.			trans	-75.8	36.7	-171	-58.2	-157.9	141.3	0	0	116.1	K329	E327-K329 PolarHBondContact O-N 3.34Å
328	E	35.1	Very low	42.4	Very low	104 Å²	104	115.8 Å²	115.8	49%	0.486	55%	0.551	S	S	.	*			trans	-68.5	99.6	166.7	-69.7	-167.1	123.5	0	0	109.8	R323 T326 F330	R323-E328 IonicContact CZ-OE2 2.82Å; R323-E328 IonicContact NE-OE2 2.71Å; R323-E328 PolarHBondContact NE-OE2 3.19Å; R323-E328 IonicContact NH2-OE1 3.55Å; R323-E328 IonicContact NH2-OE2 3.87Å; R323-E328 PolarHBondContact NH2-OE2 3.47Å; T326-E328 PolarHBondContact O-N 2.98Å; E328-F330 VanDerWaalsContact C-N 3.33Å; E328-F330 HydrophobicContact CB-CD2 4.42Å; E328-F330 HydrophobicContact CB-CE2 4.43Å; E328-F330 PolarHBondContact O-N 2.95Å
329	K	33.6	Very low	42	Very low	189 Å²	189	118.1 Å²	118.1	82%	0.822	56%	0.563	S	S	*	*			trans	-68.7	77	-172	-67.2	176.3	-177	167.9	0	113.9	E327	E327-K329 PolarHBondContact O-N 3.34Å
330	F	33.5	Very low	41.6	Very low	147 Å²	147	118.3 Å²	118.3	65%	0.645	58%	0.577	S	S	*	*			trans	-82.2	132.6	160.6	-75.7	-87.3	0	0	0	110.7	E328 K332	E328-F330 VanDerWaalsContact C-N 3.33Å; E328-F330 HydrophobicContact CB-CD2 4.42Å; E328-F330 HydrophobicContact CB-CE2 4.43Å; E328-F330 PolarHBondContact O-N 2.95Å; F330-K332 PolarHBondContact O-N 3.24Å
331	Y	28.4	Very low	41.1	Very low	224 Å²	224	122 Å²	122	88%	0.878	58%	0.583	S	S	*	*			trans	-64	109.3	175.5	-79.4	-94.7	0	0	0	109.9
332	K	32.4	Very low	40.6	Very low	160 Å²	160	127 Å²	127	70%	0.696	61%	0.61	S	S	*	*			trans	-71.7	125.1	-171	-168.4	-167.4	-168	-164.6	0	111.2	F330 E334	F330-K332 PolarHBondContact O-N 3.24Å; K332-E334 HydrophobicContact CD-CG 4.24Å; K332-E334 VanDerWaalsContact CE-OE1 3.25Å; K332-E334 WeakPolarHBondContact CE-OE1 3.29Å; K332-E334 HydrophobicContact CG-CG 4.39Å; K332-E334 IonicContact NZ-OE1 3.17Å; K332-E334 PolarHBondContact NZ-OE1 2.97Å
333	I	33.6	Very low	40.4	Very low	81 Å²	81	126.7 Å²	126.7	42%	0.415	62%	0.616	S	S	.	*			trans	-122.3	133.2	156.2	-45	97.7	0	0	0	108.9	H352	I333-H352 HydrophobicContact CB-CB 3.98Å; I333-H352 HydrophobicContact CD1-CB 3.84Å; I333-H352 HydrophobicContact CG1-CB 3.69Å; I333-H352 HydrophobicContact CG2-CB 3.8Å
334	E	33.2	Very low	40.3	Very low	139 Å²	139	124.7 Å²	124.7	65%	0.65	61%	0.614	S	S	*	*			trans	-87.5	114.1	-173.6	-65.3	177.3	163.2	0	0	110.6	K332	K332-E334 HydrophobicContact CD-CG 4.24Å; K332-E334 VanDerWaalsContact CE-OE1 3.25Å; K332-E334 WeakPolarHBondContact CE-OE1 3.29Å; K332-E334 HydrophobicContact CG-CG 4.39Å; K332-E334 IonicContact NZ-OE1 3.17Å; K332-E334 PolarHBondContact NZ-OE1 2.97Å
335	C	34.2	Very low	40.6	Very low	52 Å²	52	122.8 Å²	122.8	35%	0.351	60%	0.6	S	S	.	*			trans	-151.1	119.3	170.5	-164	0	0	0	0	109.2	K337 H348	C335-K337 PolarHBondContact O-N 3.11Å; C335-H348 WeakPolarHBondContact CB-NE2 3.45Å
336	D	34.8	Very low	40.9	Very low	157 Å²	157	124 Å²	124	84%	0.84	61%	0.605	S	S	*	*			trans	-73.2	73.5	179.2	-64	-45.2	0	0	0	111.1
337	K	41.3	Very low	41.4	Very low	134 Å²	134	122.7 Å²	122.7	58%	0.583	60%	0.595	S	S	*	*			trans	-138.8	99.9	178	-70	-173.8	179.7	175.2	0	110.9	C335 L339	C335-K337 PolarHBondContact O-N 3.11Å; K337-L339 VanDerWaalsContact C-N 3.32Å; K337-L339 HydrophobicContact CB-CG 4.34Å; K337-L339 PolarHBondContact O-N 3.12Å
338	D	39.5	Very low	42.1	Very low	151 Å²	151	115 Å²	115	81%	0.807	56%	0.559	S	S	*	*			trans	-67	84.5	173.6	-71.9	-55.3	0	0	0	111.9	S340	D338-S340 PolarHBondContact O-N 3.14Å
339	L	47.2	Very low	43	Very low	62 Å²	62	112.7 Å²	112.7	33%	0.325	55%	0.548	S	S	.	.			trans	-88	86.5	178.1	-66.2	174.8	0	0	0	110.4	K337 R341 L344 H348	K337-L339 VanDerWaalsContact C-N 3.32Å; K337-L339 HydrophobicContact CB-CG 4.34Å; K337-L339 PolarHBondContact O-N 3.12Å; L339-R341 PolarHBondContact O-N 2.96Å; L339-L344 HydrophobicContact CB-CB 4.32Å; L339-L344 HydrophobicContact CD2-CB 4.33Å; L339-H348 HydrophobicContact CD1-CB 3.34Å
340	S	42.2	Very low	44.3	Very low	108 Å²	108	105.7 Å²	105.7	76%	0.755	52%	0.517	S	S	*	.			trans	-63.4	13.1	-175.4	60.1	0	0	0	0	117	D338	D338-S340 PolarHBondContact O-N 3.14Å
341	R	42.7	Very low	45.2	Very low	180 Å²	180	102.6 Å²	102.6	68%	0.679	51%	0.506	S	S	*	.	S	Bend	trans	-144.3	123.5	-178.3	-154.3	171.7	-172	171.6	2.2	110.3	L339 S343 L344 L345	L339-R341 PolarHBondContact O-N 2.96Å; R341-S343 VanDerWaalsContact C-N 3.27Å; R341-S343 PolarHBondContact O-N 2.84Å; R341-S343 VanDerWaalsContact O-N 3.15Å; R341-L344 HydrophobicContact CB-CD1 4.09Å; R341-L344 HydrophobicContact CB-CG 4.25Å; R341-L344 WeakPolarHBondContact O-CA 3.46Å; R341-L344 WeakPolarHBondContact O-CB 3.42Å; R341-L344 PolarHBondContact O-N 2.94Å; R341-L345 PolarHBondContact O-N 3.48Å
342	N	44.3	Very low	46.2	Very low	132 Å²	132	95.3 Å²	95.3	71%	0.706	48%	0.48	S	S	*	.	H	α-helix	trans	-56.1	-37	-170.2	-161.4	-2.8	0	0	0	113.5	L344 L345 H346	N342-L344 VanDerWaalsContact C-N 3.3Å; N342-L344 PolarHBondContact O-N 3.09Å; N342-L345 WeakPolarHBondContact O-CB 3.4Å; N342-L345 PolarHBondContact O-N 3.45Å; N342-L345 VanDerWaalsContact O-N 3.14Å; N342-H346 PolarHBondContact O-N 2.95Å
343	S	49.3	Very low	47.3	Very low	68 Å²	68	92.9 Å²	92.9	48%	0.476	47%	0.474	S	S	.	.	H	α-helix	trans	-63.1	-30.1	174.3	53.7	0	0	0	0	114.2	R341 I347	R341-S343 VanDerWaalsContact C-N 3.27Å; R341-S343 PolarHBondContact O-N 2.84Å; R341-S343 VanDerWaalsContact O-N 3.15Å; S343-I347 WeakPolarHBondContact O-CD1 3.4Å; S343-I347 VanDerWaalsContact O-CG1 3.23Å; S343-I347 WeakPolarHBondContact O-CG1 3.31Å; S343-I347 PolarHBondContact O-N 3.25Å
344	L	52.3	Low	48.3	Very low	72 Å²	72	91 Å²	91	38%	0.377	47%	0.474	S	S	.	.	H	α-helix	trans	-75.8	-35	173.6	-62.5	176.5	0	0	0	111.6	L339 R341 N342 I347 H348	L339-L344 HydrophobicContact CB-CB 4.32Å; L339-L344 HydrophobicContact CD2-CB 4.33Å; R341-L344 HydrophobicContact CB-CD1 4.09Å; R341-L344 HydrophobicContact CB-CG 4.25Å; R341-L344 WeakPolarHBondContact O-CA 3.46Å; R341-L344 WeakPolarHBondContact O-CB 3.42Å; R341-L344 PolarHBondContact O-N 2.94Å; N342-L344 VanDerWaalsContact C-N 3.3Å; N342-L344 PolarHBondContact O-N 3.09Å; L344-I347 PolarHBondContact O-N 3.27Å; L344-H348 VanDerWaalsContact O-CB 3.28Å; L344-H348 WeakPolarHBondContact O-CB 3.47Å; L344-H348 PolarHBondContact O-N 3.05Å
345	L	54.7	Low	49.6	Very low	71 Å²	71	88 Å²	88	37%	0.372	46%	0.46	S	S	.	.	H	α-helix	trans	-63.2	-47.4	175.6	-179.8	61.9	0	0	0	111.4	R341 N342 I347 H348 Q349	R341-L345 PolarHBondContact O-N 3.48Å; N342-L345 WeakPolarHBondContact O-CB 3.4Å; N342-L345 PolarHBondContact O-N 3.45Å; N342-L345 VanDerWaalsContact O-N 3.14Å; L345-I347 PolarHBondContact O-N 3Å; L345-H348 CarbonylContact O-C 3.59Å; L345-H348 WeakPolarHBondContact O-CA 3.27Å; L345-H348 WeakPolarHBondContact O-CB 3.19Å; L345-H348 PolarHBondContact O-N 3.36Å; L345-Q349 WeakPolarHBondContact O-CG 3.37Å; L345-Q349 PolarHBondContact O-N 3.19Å
346	H	57.9	Low	51.4	Low	114 Å²	114	91.4 Å²	91.4	53%	0.528	47%	0.469	S	S	.	.	H	α-helix	trans	-60.6	-43.7	176	-172.9	50.8	0	0	0	112.4	N342 H348 Q349 R350	N342-H346 PolarHBondContact O-N 2.95Å; H346-H348 PolarHBondContact O-N 2.75Å; H346-Q349 PolarHBondContact O-N 3.13Å; H346-R350 PolarHBondContact NE2-NH2 3.2Å; H346-R350 WeakPolarHBondContact O-CG 3.41Å; H346-R350 PolarHBondContact O-N 3.01Å
347	I	57.1	Low	53.3	Low	49 Å²	49	87.3 Å²	87.3	25%	0.251	45%	0.45	S	S	.	.	H	α-helix	trans	-66	-25	175.3	-67.5	170.3	0	0	0	112	S343 L344 L345 R369	S343-I347 WeakPolarHBondContact O-CD1 3.4Å; S343-I347 VanDerWaalsContact O-CG1 3.23Å; S343-I347 WeakPolarHBondContact O-CG1 3.31Å; S343-I347 PolarHBondContact O-N 3.25Å; L344-I347 PolarHBondContact O-N 3.27Å; L345-I347 PolarHBondContact O-N 3Å; I347-R369 HydrophobicContact CG2-CG 3.75Å
348	H	57.5	Low	55.1	Low	20 Å²	20	84 Å²	84	9%	0.093	44%	0.436	C	S	.	.	H	α-helix	trans	-79.7	-41.1	174.9	175.6	61.6	0	0	0	112.5	C335 L339 L344 L345 H346 R350 L351 H352	C335-H348 WeakPolarHBondContact CB-NE2 3.45Å; L339-H348 HydrophobicContact CD1-CB 3.34Å; L344-H348 VanDerWaalsContact O-CB 3.28Å; L344-H348 WeakPolarHBondContact O-CB 3.47Å; L344-H348 PolarHBondContact O-N 3.05Å; L345-H348 CarbonylContact O-C 3.59Å; L345-H348 WeakPolarHBondContact O-CA 3.27Å; L345-H348 WeakPolarHBondContact O-CB 3.19Å; L345-H348 PolarHBondContact O-N 3.36Å; H346-H348 PolarHBondContact O-N 2.75Å; H348-R350 PolarHBondContact O-N 2.67Å; H348-L351 WeakPolarHBondContact O-CB 3.45Å; H348-L351 WeakPolarHBondContact O-CG 3.46Å; H348-L351 PolarHBondContact O-N 3.25Å; H348-H352 AromaticContact CD2-NE2 3.75Å; H348-H352 AromaticContact CE1-CE1 3.69Å; H348-H352 AromaticContact CE1-NE2 3.19Å; H348-H352 PolarHBondContact CE1-NE2 2.9Å; H348-H352 AromaticContact ND1-NE2 3.98Å; H348-H352 AromaticContact NE2-CD2 3.93Å; H348-H352 AromaticContact NE2-CE1 3.85Å; H348-H352 AromaticContact NE2-NE2 2.99Å; H348-H352 PolarHBondContact NE2-NE2 3.38Å
349	Q	52.7	Low	56.8	Low	57 Å²	57	82.9 Å²	82.9	27%	0.266	42%	0.424	S	S	.	.	H	α-helix	trans	-56.1	-39.1	175.7	-73.8	164.7	-28.2	0	0	111.9	L345 H346 L351 H352 I353	L345-Q349 WeakPolarHBondContact O-CG 3.37Å; L345-Q349 PolarHBondContact O-N 3.19Å; H346-Q349 PolarHBondContact O-N 3.13Å; Q349-L351 PolarHBondContact O-N 3.08Å; Q349-L351 VanDerWaalsContact O-N 3.15Å; Q349-H352 PolarHBondContact O-N 3.28Å; Q349-I353 PolarHBondContact O-N 3.23Å; Q349-I353 VanDerWaalsContact O-N 3.12Å
350	R	62.2	Low	58.5	Low	42 Å²	42	80 Å²	80	16%	0.158	41%	0.409	C	S	.	.	H	α-helix	trans	-57.3	-25.3	173.5	-67	-179	179.6	-177.3	-3.1	114.8	H346 H348 H352 G354 E355	H346-R350 PolarHBondContact NE2-NH2 3.2Å; H346-R350 WeakPolarHBondContact O-CG 3.41Å; H346-R350 PolarHBondContact O-N 3.01Å; H348-R350 PolarHBondContact O-N 2.67Å; R350-H352 VanDerWaalsContact C-N 3.27Å; R350-H352 PolarHBondContact O-N 3.16Å; R350-G354 CarbonylContact O-C 3.5Å; R350-G354 PolarHBondContact O-N 3.37Å; R350-E355 HydrophobicContact CB-CB 4.09Å; R350-E355 HydrophobicContact CG-CB 4.07Å; R350-E355 WeakPolarHBondContact CG-OE2 3.33Å; R350-E355 IonicContact NE-OE2 2.68Å; R350-E355 PolarHBondContact O-N 3.02Å
351	L	52.5	Low	60.4	Low	81 Å²	81	82.3 Å²	82.3	42%	0.424	41%	0.413	S	S	.	.	H	α-helix	trans	-67.3	-32.4	175	-56.5	-179.1	0	0	0	112	H348 Q349 N368	H348-L351 WeakPolarHBondContact O-CB 3.45Å; H348-L351 WeakPolarHBondContact O-CG 3.46Å; H348-L351 PolarHBondContact O-N 3.25Å; Q349-L351 PolarHBondContact O-N 3.08Å; Q349-L351 VanDerWaalsContact O-N 3.15Å; L351-N368 HydrophobicContact CD2-CB 4.37Å; L351-N368 WeakPolarHBondContact CD2-ND2 3.5Å
352	H	48.1	Very low	62.1	Low	71 Å²	71	79.5 Å²	79.5	33%	0.329	41%	0.408	S	S	.	.	H	α-helix	trans	-92.3	-38.9	-172.5	-57.6	-53.6	0	0	0	112.7	I333 H348 Q349 R350 G354	I333-H352 HydrophobicContact CB-CB 3.98Å; I333-H352 HydrophobicContact CD1-CB 3.84Å; I333-H352 HydrophobicContact CG1-CB 3.69Å; I333-H352 HydrophobicContact CG2-CB 3.8Å; H348-H352 AromaticContact CD2-NE2 3.75Å; H348-H352 AromaticContact CE1-CE1 3.69Å; H348-H352 AromaticContact CE1-NE2 3.19Å; H348-H352 PolarHBondContact CE1-NE2 2.9Å; H348-H352 AromaticContact ND1-NE2 3.98Å; H348-H352 AromaticContact NE2-CD2 3.93Å; H348-H352 AromaticContact NE2-CE1 3.85Å; H348-H352 AromaticContact NE2-NE2 2.99Å; H348-H352 PolarHBondContact NE2-NE2 3.38Å; Q349-H352 PolarHBondContact O-N 3.28Å; R350-H352 VanDerWaalsContact C-N 3.27Å; R350-H352 PolarHBondContact O-N 3.16Å; H352-G354 PolarHBondContact O-N 3.17Å
353	I	55.1	Low	63.5	Low	110 Å²	110	75.5 Å²	75.5	56%	0.564	39%	0.389	S	S	*	.	H	α-helix	trans	-71.9	-14.6	172.9	-52.2	168.2	0	0	0	110.2	Q349 E355	Q349-I353 PolarHBondContact O-N 3.23Å; Q349-I353 VanDerWaalsContact O-N 3.12Å; I353-E355 HydrophobicContact CB-CG 4.24Å; I353-E355 HydrophobicContact CG2-CG 3.9Å; I353-E355 PolarHBondContact O-N 3.46Å
354	G	55.3	Low	64.8	Low	40 Å²	40	74 Å²	74	41%	0.412	39%	0.385	S	S	.	.			trans	79.4	1.3	-178.3	0	0	0	0	0	114.1	R350 H352 K356	R350-G354 CarbonylContact O-C 3.5Å; R350-G354 PolarHBondContact O-N 3.37Å; H352-G354 PolarHBondContact O-N 3.17Å; G354-K356 WeakPolarHBondContact O-CG 3.42Å; G354-K356 PolarHBondContact O-N 3.39Å
355	E	60.8	Low	65.6	Low	77 Å²	77	76.4 Å²	76.4	36%	0.36	39%	0.393	S	S	.	.			trans	-53.5	126.4	179.8	-77.7	-174.4	-168.8	0	0	112.5	R350 I353	R350-E355 HydrophobicContact CB-CB 4.09Å; R350-E355 HydrophobicContact CG-CB 4.07Å; R350-E355 WeakPolarHBondContact CG-OE2 3.33Å; R350-E355 IonicContact NE-OE2 2.68Å; R350-E355 PolarHBondContact O-N 3.02Å; I353-E355 HydrophobicContact CB-CG 4.24Å; I353-E355 HydrophobicContact CG2-CG 3.9Å; I353-E355 PolarHBondContact O-N 3.46Å
356	K	71.9	Confident	66.5	Low	124 Å²	124	75.3 Å²	75.3	54%	0.539	39%	0.391	S	S	.	.			trans	-130.4	72.7	177.4	-71.4	156.3	-177.1	169	0	109.8	G354 F358 S366 F367	G354-K356 WeakPolarHBondContact O-CG 3.42Å; G354-K356 PolarHBondContact O-N 3.39Å; K356-F358 PolarHBondContact O-N 3.13Å; K356-S366 WeakPolarHBondContact CD-O 3.16Å; K356-S366 WeakPolarHBondContact O-CB 3.5Å; K356-F367 CarbonylContact C-O 3.16Å; K356-F367 VanDerWaalsContact CA-O 3.23Å; K356-F367 WeakPolarHBondContact CA-O 3.41Å
357	P	74	Confident	67.5	Low	70 Å²	70	71.9 Å²	71.9	46%	0.455	37%	0.374	S	S	.	.			trans	-66.9	-19.3	-172.2	-22.1	35.7	0	0	0	114.2	K359	P357-K359 PolarHBondContact O-N 2.99Å
358	F	79.6	Confident	67.9	Low	65 Å²	65	71.6 Å²	71.6	29%	0.285	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	85.4	-173.2	-55.7	-77.9	0	0	0	110.2	K356 S366 F367 S370 L373	K356-F358 PolarHBondContact O-N 3.13Å; F358-S366 WeakPolarHBondContact O-CA 3.38Å; F358-F367 HydrophobicContact CB-CB 4.45Å; F358-F367 WeakPolarHBondContact CB-O 3.34Å; F358-F367 WeakPolarHBondContact CD2-O 3.38Å; F358-F367 PolarHBondContact N-O 3.11Å; F358-F367 PolarHBondContact O-N 2.83Å; F358-S370 VanDerWaalsContact CD2-N 3.31Å; F358-L373 HydrophobicContact CB-CB 4.06Å; F358-L373 HydrophobicContact CB-CD2 3.84Å
359	K	74.9	Confident	68.6	Low	128 Å²	128	75.5 Å²	75.5	56%	0.557	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	141.4	176.6	-171.2	178.3	178.5	-172.4	0	111.4	P357 L373	P357-K359 PolarHBondContact O-N 2.99Å; K359-L373 WeakPolarHBondContact O-CD2 3.25Å
360	C	83.6	Confident	69.7	Low	1 Å²	1	76 Å²	76	1%	0.007	40%	0.397	C	S	.	.			trans	-89.1	116	169.5	-177.9	0	0	0	0	110.4	Q362 C363 G364 K365 F367 L373 H380	C360-Q362 PolarHBondContact O-N 2.8Å; C360-C363 PolarHBondContact O-N 3.26Å; C360-G364 WeakPolarHBondContact O-CA 3.49Å; C360-G364 PolarHBondContact O-N 2.64Å; C360-K365 WeakPolarHBondContact CB-O 3.32Å; C360-K365 PolarHBondContact N-O 2.77Å; C360-F367 HydrophobicContact CB-CE2 4.33Å; C360-L373 HydrophobicContact CB-CD1 3.57Å; C360-H380 PolarHBondContact SG-NE2 3.48Å; C360-H380 VanDerWaalsContact SG-NE2 3.4Å
361	N	82.6	Confident	70.5	Confident	157 Å²	157	77.6 Å²	77.6	84%	0.84	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.4	-177.6	-60.8	3.5	0	0	0	112.9
362	Q	77.2	Confident	71.6	Confident	121 Å²	121	76.6 Å²	76.6	57%	0.565	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-13.1	-176.2	-70.9	166.8	-38.8	0	0	114.8	C360 H380	C360-Q362 PolarHBondContact O-N 2.8Å; Q362-H380 PolarHBondContact OE1-CD2 2.92Å
363	C	74.9	Confident	73.2	Confident	47 Å²	47	74.2 Å²	74.2	32%	0.318	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.4	18.3	179.5	71.1	0	0	0	0	115.1	C360 K365 H376 H380	C360-C363 PolarHBondContact O-N 3.26Å; C363-K365 PolarHBondContact O-N 2.86Å; C363-H376 PolarHBondContact SG-NE2 3.37Å; C363-H380 PolarHBondContact SG-CE1 3.32Å; C363-H380 PolarHBondContact SG-NE2 2.86Å; C363-H380 VanDerWaalsContact SG-NE2 3.4Å
364	G	74.9	Confident	74.5	Confident	38 Å²	38	74.4 Å²	74.4	39%	0.392	40%	0.4	S	S	.	.			trans	68	-15.6	177.5	0	0	0	0	0	116.9	C360 S366	C360-G364 WeakPolarHBondContact O-CA 3.49Å; C360-G364 PolarHBondContact O-N 2.64Å; G364-S366 PolarHBondContact O-N 3.32Å; G364-S366 PolarHBondContact O-OG 3.33Å
365	K	69.3	Low	75.8	Confident	122 Å²	122	74.4 Å²	74.4	53%	0.53	39%	0.392	S	S	.	.			trans	-63.8	129.4	-174.5	-69.7	170	-168.4	150.8	0	111.8	C360 C363 F367	C360-K365 WeakPolarHBondContact CB-O 3.32Å; C360-K365 PolarHBondContact N-O 2.77Å; C363-K365 PolarHBondContact O-N 2.86Å; K365-F367 HydrophobicContact CB-CE2 3.97Å; K365-F367 HydrophobicContact CB-CZ 3.98Å; K365-F367 VanDerWaalsContact O-CE2 3.24Å; K365-F367 WeakPolarHBondContact O-CE2 3.43Å
366	S	75.2	Confident	76.8	Confident	48 Å²	48	71.9 Å²	71.9	34%	0.336	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	143.6	-176.1	-52.8	0	0	0	0	113.2	K356 F358 G364	K356-S366 WeakPolarHBondContact CD-O 3.16Å; K356-S366 WeakPolarHBondContact O-CB 3.5Å; F358-S366 WeakPolarHBondContact O-CA 3.38Å; G364-S366 PolarHBondContact O-N 3.32Å; G364-S366 PolarHBondContact O-OG 3.33Å
367	F	77.3	Confident	77.4	Confident	42 Å²	42	69.6 Å²	69.6	18%	0.184	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	153.2	-173.9	-55.9	-86.6	0	0	0	112.2	K356 F358 C360 K365 R369 V372 L373 H376	K356-F367 CarbonylContact C-O 3.16Å; K356-F367 VanDerWaalsContact CA-O 3.23Å; K356-F367 WeakPolarHBondContact CA-O 3.41Å; F358-F367 HydrophobicContact CB-CB 4.45Å; F358-F367 WeakPolarHBondContact CB-O 3.34Å; F358-F367 WeakPolarHBondContact CD2-O 3.38Å; F358-F367 PolarHBondContact N-O 3.11Å; F358-F367 PolarHBondContact O-N 2.83Å; C360-F367 HydrophobicContact CB-CE2 4.33Å; K365-F367 HydrophobicContact CB-CE2 3.97Å; K365-F367 HydrophobicContact CB-CZ 3.98Å; K365-F367 VanDerWaalsContact O-CE2 3.24Å; K365-F367 WeakPolarHBondContact O-CE2 3.43Å; F367-R369 VanDerWaalsContact C-N 3.35Å; F367-V372 HydrophobicContact CB-CB 4.4Å; F367-V372 HydrophobicContact CB-CG1 4.44Å; F367-V372 HydrophobicContact CD1-CB 4.4Å; F367-V372 HydrophobicContact CD1-CG1 3.59Å; F367-V372 HydrophobicContact CE1-CG1 4.24Å; F367-V372 HydrophobicContact CG-CG1 4.25Å; F367-L373 HydrophobicContact CB-CB 4.38Å; F367-L373 HydrophobicContact CD2-CB 3.92Å; F367-L373 HydrophobicContact CD2-CD1 3.86Å; F367-L373 HydrophobicContact CD2-CG 4.49Å; F367-L373 HydrophobicContact CE2-CD1 4.03Å; F367-L373 HydrophobicContact CG-CB 4.38Å; F367-H376 HydrophobicContact CE1-CB 4.19Å; F367-H376 HydrophobicContact CE2-CB 3.99Å; F367-H376 AromaticContact CE2-CD2 3.26Å; F367-H376 WeakPolarHBondContact CE2-CD2 3.2Å; F367-H376 AromaticContact CE2-CG 3.69Å; F367-H376 HydrophobicContact CZ-CB 3.66Å; F367-H376 AromaticContact CZ-CD2 3.35Å; F367-H376 WeakPolarHBondContact CZ-CD2 3.24Å; F367-H376 AromaticContact CZ-CG 3.33Å; F367-H376 AromaticContact CZ-ND1 4Å; F367-H376 AromaticContact CZ-NE2 4Å
368	N	66.8	Low	78	Confident	42 Å²	42	67.7 Å²	67.7	23%	0.225	35%	0.354	C	S	.	.	S	Bend	trans	-79	-14.3	178.9	52.8	32.2	0	0	0	113.9	L351	L351-N368 HydrophobicContact CD2-CB 4.37Å; L351-N368 WeakPolarHBondContact CD2-ND2 3.5Å
369	R	72.5	Confident	78.1	Confident	103 Å²	103	69.3 Å²	69.3	39%	0.389	37%	0.369	S	S	.	.	S	Bend	trans	-140.7	134.5	-176.5	-67	171.9	-176.7	-155.1	-3.3	110.8	I347 F367 S371 V372 L373	I347-R369 HydrophobicContact CG2-CG 3.75Å; F367-R369 VanDerWaalsContact C-N 3.35Å; R369-S371 VanDerWaalsContact C-N 3.29Å; R369-S371 PolarHBondContact O-N 2.97Å; R369-V372 HydrophobicContact CB-CB 4.39Å; R369-V372 HydrophobicContact CB-CG2 3.94Å; R369-V372 PolarHBondContact O-N 3.31Å; R369-L373 PolarHBondContact O-N 3.07Å
370	S	75.6	Confident	78.5	Confident	68 Å²	68	66.6 Å²	66.6	48%	0.476	36%	0.359	S	S	.	.	H	α-helix	trans	-55.3	-41.4	175.6	-178.5	0	0	0	0	112.7	F358 V372 L373 H374	F358-S370 VanDerWaalsContact CD2-N 3.31Å; S370-V372 PolarHBondContact O-N 2.97Å; S370-L373 WeakPolarHBondContact O-CA 3.46Å; S370-L373 WeakPolarHBondContact O-CB 3.19Å; S370-L373 PolarHBondContact O-N 2.76Å; S370-L373 VanDerWaalsContact O-N 3.08Å; S370-H374 PolarHBondContact O-N 3.27Å
371	S	78.5	Confident	78.6	Confident	75 Å²	75	70.2 Å²	70.2	52%	0.524	38%	0.381	S	S	.	.	H	α-helix	trans	-62.3	-27.5	177.6	53.3	0	0	0	0	114.1	R369 V375	R369-S371 VanDerWaalsContact C-N 3.29Å; R369-S371 PolarHBondContact O-N 2.97Å; S371-V375 WeakPolarHBondContact O-CG2 3.28Å; S371-V375 PolarHBondContact O-N 3.3Å; S371-V375 VanDerWaalsContact O-N 3.17Å
372	V	76.2	Confident	78.7	Confident	60 Å²	60	64.7 Å²	64.7	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-79.5	-35.9	175	-176.9	0	0	0	0	110.6	F367 R369 S370 H376	F367-V372 HydrophobicContact CB-CB 4.4Å; F367-V372 HydrophobicContact CB-CG1 4.44Å; F367-V372 HydrophobicContact CD1-CB 4.4Å; F367-V372 HydrophobicContact CD1-CG1 3.59Å; F367-V372 HydrophobicContact CE1-CG1 4.24Å; F367-V372 HydrophobicContact CG-CG1 4.25Å; R369-V372 HydrophobicContact CB-CB 4.39Å; R369-V372 HydrophobicContact CB-CG2 3.94Å; R369-V372 PolarHBondContact O-N 3.31Å; S370-V372 PolarHBondContact O-N 2.97Å; V372-H376 VanDerWaalsContact O-CB 3.31Å; V372-H376 WeakPolarHBondContact O-CB 3.45Å; V372-H376 PolarHBondContact O-N 3.04Å
373	L	82	Confident	79	Confident	20 Å²	20	62.6 Å²	62.6	11%	0.105	35%	0.351	C	S	.	.	H	α-helix	trans	-61.3	-46.9	169.5	171.2	61.3	0	0	0	111.3	F358 K359 C360 F367 R369 S370 V375 H376 Q377	F358-L373 HydrophobicContact CB-CB 4.06Å; F358-L373 HydrophobicContact CB-CD2 3.84Å; K359-L373 WeakPolarHBondContact O-CD2 3.25Å; C360-L373 HydrophobicContact CB-CD1 3.57Å; F367-L373 HydrophobicContact CB-CB 4.38Å; F367-L373 HydrophobicContact CD2-CB 3.92Å; F367-L373 HydrophobicContact CD2-CD1 3.86Å; F367-L373 HydrophobicContact CD2-CG 4.49Å; F367-L373 HydrophobicContact CE2-CD1 4.03Å; F367-L373 HydrophobicContact CG-CB 4.38Å; R369-L373 PolarHBondContact O-N 3.07Å; S370-L373 WeakPolarHBondContact O-CA 3.46Å; S370-L373 WeakPolarHBondContact O-CB 3.19Å; S370-L373 PolarHBondContact O-N 2.76Å; S370-L373 VanDerWaalsContact O-N 3.08Å; L373-V375 PolarHBondContact O-N 3.19Å; L373-H376 CarbonylContact O-C 3.58Å; L373-H376 WeakPolarHBondContact O-CA 3.4Å; L373-H376 WeakPolarHBondContact O-CB 2.99Å; L373-H376 PolarHBondContact O-N 2.8Å; L373-Q377 HydrophobicContact CD1-CG 4.21Å; L373-Q377 WeakPolarHBondContact O-CG 3.16Å; L373-Q377 PolarHBondContact O-N 2.69Å
374	H	82.7	Confident	79.7	Confident	115 Å²	115	66.2 Å²	66.2	53%	0.532	36%	0.362	S	S	.	.	H	α-helix	trans	-59.6	-46.1	178.1	-179.1	61.3	0	0	0	112.6	S370 H376 Q377 R378	S370-H374 PolarHBondContact O-N 3.27Å; H374-H376 PolarHBondContact O-N 2.9Å; H374-Q377 PolarHBondContact O-N 3.42Å; H374-R378 PolarHBondContact NE2-NH2 2.99Å
375	V	82.6	Confident	80.3	Confident	40 Å²	40	67.7 Å²	67.7	24%	0.242	36%	0.364	C	S	.	.	H	α-helix	trans	-64.9	-28.6	174.2	169.5	0	0	0	0	112.1	S371 L373 Q397	S371-V375 WeakPolarHBondContact O-CG2 3.28Å; S371-V375 PolarHBondContact O-N 3.3Å; S371-V375 VanDerWaalsContact O-N 3.17Å; L373-V375 PolarHBondContact O-N 3.19Å; V375-Q397 HydrophobicContact CG1-CG 3.58Å; V375-Q397 VanDerWaalsContact CG1-NE2 3.29Å
376	H	81.4	Confident	81.3	Confident	24 Å²	24	65.8 Å²	65.8	11%	0.111	35%	0.354	C	S	.	.	H	α-helix	trans	-75.1	-35.4	173.3	169.1	56.9	0	0	0	113.3	C363 F367 V372 L373 H374 R378 V379 H380	C363-H376 PolarHBondContact SG-NE2 3.37Å; F367-H376 HydrophobicContact CE1-CB 4.19Å; F367-H376 HydrophobicContact CE2-CB 3.99Å; F367-H376 AromaticContact CE2-CD2 3.26Å; F367-H376 WeakPolarHBondContact CE2-CD2 3.2Å; F367-H376 AromaticContact CE2-CG 3.69Å; F367-H376 HydrophobicContact CZ-CB 3.66Å; F367-H376 AromaticContact CZ-CD2 3.35Å; F367-H376 WeakPolarHBondContact CZ-CD2 3.24Å; F367-H376 AromaticContact CZ-CG 3.33Å; F367-H376 AromaticContact CZ-ND1 4Å; F367-H376 AromaticContact CZ-NE2 4Å; V372-H376 VanDerWaalsContact O-CB 3.31Å; V372-H376 WeakPolarHBondContact O-CB 3.45Å; V372-H376 PolarHBondContact O-N 3.04Å; L373-H376 CarbonylContact O-C 3.58Å; L373-H376 WeakPolarHBondContact O-CA 3.4Å; L373-H376 WeakPolarHBondContact O-CB 2.99Å; L373-H376 PolarHBondContact O-N 2.8Å; H374-H376 PolarHBondContact O-N 2.9Å; H376-R378 PolarHBondContact O-N 3.37Å; H376-R378 VanDerWaalsContact O-N 3.14Å; H376-V379 WeakPolarHBondContact O-CB 3.23Å; H376-V379 VanDerWaalsContact O-CG2 3.29Å; H376-V379 WeakPolarHBondContact O-CG2 3.47Å; H376-V379 PolarHBondContact O-N 3.33Å; H376-H380 AromaticContact CD2-NE2 3.98Å; H376-H380 AromaticContact CE1-CE1 3.76Å; H376-H380 AromaticContact CE1-NE2 3.41Å; H376-H380 PolarHBondContact CE1-NE2 3.11Å; H376-H380 AromaticContact NE2-CE1 3.82Å; H376-H380 AromaticContact NE2-NE2 3.11Å; H376-H380 PolarHBondContact NE2-NE2 2.93Å; H376-H380 VanDerWaalsContact NE2-NE2 3.11Å
377	Q	82.9	Confident	81.9	Confident	75 Å²	75	70.2 Å²	70.2	35%	0.35	37%	0.368	S	S	.	.	H	α-helix	trans	-57.3	-30.3	178	-75.7	168.3	-56.6	0	0	112.3	L373 H374 V379 H380 T381	L373-Q377 HydrophobicContact CD1-CG 4.21Å; L373-Q377 WeakPolarHBondContact O-CG 3.16Å; L373-Q377 PolarHBondContact O-N 2.69Å; H374-Q377 PolarHBondContact O-N 3.42Å; Q377-V379 PolarHBondContact O-N 2.96Å; Q377-V379 VanDerWaalsContact O-N 3.09Å; Q377-H380 PolarHBondContact O-N 3.36Å; Q377-T381 PolarHBondContact O-N 3.31Å; Q377-T381 VanDerWaalsContact O-N 3.12Å
378	R	87	Confident	82.6	Confident	30 Å²	30	68.3 Å²	68.3	11%	0.113	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.6	172.1	-59.5	-174.4	174.9	157.9	3	115.2	H374 H376 H380 G382 E383 S396	H374-R378 PolarHBondContact NE2-NH2 2.99Å; H376-R378 PolarHBondContact O-N 3.37Å; H376-R378 VanDerWaalsContact O-N 3.14Å; R378-H380 VanDerWaalsContact C-N 3.33Å; R378-G382 CarbonylContact O-C 3.5Å; R378-G382 WeakPolarHBondContact O-CA 3.33Å; R378-G382 PolarHBondContact O-N 3.45Å; R378-E383 HydrophobicContact CB-CB 3.96Å; R378-E383 HydrophobicContact CG-CB 3.84Å; R378-E383 IonicContact NE-OE2 3.99Å; R378-E383 PolarHBondContact O-N 3.23Å; R378-S396 PolarHBondContact NH1-O 2.78Å
379	V	83.3	Confident	83.7	Confident	99 Å²	99	73.2 Å²	73.2	60%	0.6	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-33.6	170.8	178.8	0	0	0	0	110.7	H376 Q377	H376-V379 WeakPolarHBondContact O-CB 3.23Å; H376-V379 VanDerWaalsContact O-CG2 3.29Å; H376-V379 WeakPolarHBondContact O-CG2 3.47Å; H376-V379 PolarHBondContact O-N 3.33Å; Q377-V379 PolarHBondContact O-N 2.96Å; Q377-V379 VanDerWaalsContact O-N 3.09Å
380	H	83.3	Confident	84.3	Confident	71 Å²	71	74.3 Å²	74.3	33%	0.329	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-41.1	-177.8	-47.6	-54.3	0	0	0	111.9	C360 Q362 C363 H376 Q377 R378 G382	C360-H380 PolarHBondContact SG-NE2 3.48Å; C360-H380 VanDerWaalsContact SG-NE2 3.4Å; Q362-H380 PolarHBondContact OE1-CD2 2.92Å; C363-H380 PolarHBondContact SG-CE1 3.32Å; C363-H380 PolarHBondContact SG-NE2 2.86Å; C363-H380 VanDerWaalsContact SG-NE2 3.4Å; H376-H380 AromaticContact CD2-NE2 3.98Å; H376-H380 AromaticContact CE1-CE1 3.76Å; H376-H380 AromaticContact CE1-NE2 3.41Å; H376-H380 PolarHBondContact CE1-NE2 3.11Å; H376-H380 AromaticContact NE2-CE1 3.82Å; H376-H380 AromaticContact NE2-NE2 3.11Å; H376-H380 PolarHBondContact NE2-NE2 2.93Å; H376-H380 VanDerWaalsContact NE2-NE2 3.11Å; Q377-H380 PolarHBondContact O-N 3.36Å; R378-H380 VanDerWaalsContact C-N 3.33Å; H380-G382 PolarHBondContact O-N 3.14Å
381	T	84.6	Confident	84.9	Confident	77 Å²	77	74 Å²	74	47%	0.472	39%	0.393	S	S	.	.	S	Bend	trans	-75.2	-8.3	174.5	65.7	0	0	0	0	113.3	Q377 E383	Q377-T381 PolarHBondContact O-N 3.31Å; Q377-T381 VanDerWaalsContact O-N 3.12Å; T381-E383 WeakPolarHBondContact CB-OE1 3.18Å; T381-E383 PolarHBondContact O-N 3.22Å; T381-E383 VanDerWaalsContact O-N 3.13Å; T381-E383 WeakPolarHBondContact OG1-CB 3.25Å; T381-E383 VanDerWaalsContact OG1-CD 3.27Å; T381-E383 WeakPolarHBondContact OG1-CG 3.43Å; T381-E383 PolarHBondContact OG1-OE1 3.37Å
382	G	84.1	Confident	85.3	Confident	41 Å²	41	73.1 Å²	73.1	42%	0.423	40%	0.395	S	S	.	.			trans	69.8	0.6	-176.7	0	0	0	0	0	114.9	R378 H380 K384	R378-G382 CarbonylContact O-C 3.5Å; R378-G382 WeakPolarHBondContact O-CA 3.33Å; R378-G382 PolarHBondContact O-N 3.45Å; H380-G382 PolarHBondContact O-N 3.14Å; G382-K384 PolarHBondContact O-N 3Å
383	E	85.1	Confident	85.8	Confident	78 Å²	78	75.9 Å²	75.9	36%	0.364	40%	0.402	S	S	.	.			trans	-52.7	125.5	-174.5	-90.1	169.5	-116.7	0	0	113.6	R378 T381	R378-E383 HydrophobicContact CB-CB 3.96Å; R378-E383 HydrophobicContact CG-CB 3.84Å; R378-E383 IonicContact NE-OE2 3.99Å; R378-E383 PolarHBondContact O-N 3.23Å; T381-E383 WeakPolarHBondContact CB-OE1 3.18Å; T381-E383 PolarHBondContact O-N 3.22Å; T381-E383 VanDerWaalsContact O-N 3.13Å; T381-E383 WeakPolarHBondContact OG1-CB 3.25Å; T381-E383 VanDerWaalsContact OG1-CD 3.27Å; T381-E383 WeakPolarHBondContact OG1-CG 3.43Å; T381-E383 PolarHBondContact OG1-OE1 3.37Å
384	K	89.1	Confident	86	Confident	122 Å²	122	76 Å²	76	53%	0.53	41%	0.409	S	S	.	.			trans	-130.1	73.2	177.4	-73.9	155.8	-172	161.6	0	110.3	G382 Y386 F395	G382-K384 PolarHBondContact O-N 3Å; K384-Y386 PolarHBondContact O-N 3.36Å; K384-F395 CarbonylContact C-O 3.29Å; K384-F395 VanDerWaalsContact C-O 3.28Å; K384-F395 VanDerWaalsContact CA-O 3.29Å; K384-F395 WeakPolarHBondContact CA-O 3.28Å
385	P	88	Confident	86.1	Confident	69 Å²	69	72.2 Å²	72.2	45%	0.448	39%	0.39	S	S	.	.			trans	-65	-24.1	-173.6	-21.9	35.1	0	0	0	113.8
386	Y	89.9	Confident	86.2	Confident	83 Å²	83	71.9 Å²	71.9	33%	0.325	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	100.7	-176	-50.5	-77.9	0	0	0	109.2	K384 G394 F395 S398	K384-Y386 PolarHBondContact O-N 3.36Å; Y386-G394 CarbonylContact O-C 3.45Å; Y386-F395 PolarHBondContact N-O 3.19Å; Y386-F395 VanDerWaalsContact N-O 3.14Å; Y386-F395 PolarHBondContact O-N 3.3Å; Y386-S398 VanDerWaalsContact CD2-N 3.26Å
387	K	88	Confident	86.4	Confident	141 Å²	141	74.3 Å²	74.3	61%	0.613	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	149.9	176.9	-62.6	178.3	-176.1	175.5	0	110.4	K393 L401	K387-K393 CarbonylContact C-O 3.56Å; K387-K393 WeakPolarHBondContact CA-O 3.5Å; K387-L401 WeakPolarHBondContact O-CD2 3.36Å
388	C	91.1	Very high	86.4	Confident	1 Å²	1	74 Å²	74	1%	0.007	41%	0.407	C	S	.	.			trans	-92.7	117.4	169.4	-169.4	0	0	0	0	109.1	E390 C391 G392 K393 F395 L401	C388-E390 VanDerWaalsContact C-N 3.29Å; C388-E390 PolarHBondContact O-N 3.04Å; C388-C391 PolarHBondContact O-N 3.08Å; C388-G392 VanDerWaalsContact O-CA 3.27Å; C388-G392 WeakPolarHBondContact O-CA 3.47Å; C388-G392 PolarHBondContact O-N 3.18Å; C388-K393 HydrophobicContact CB-CB 4.46Å; C388-K393 PolarHBondContact N-O 3.35Å; C388-F395 HydrophobicContact CB-CE2 4.43Å; C388-L401 HydrophobicContact CB-CD1 3.5Å; C388-L401 VanDerWaalsContact CB-CD1 3.5Å
389	D	89.4	Confident	86.1	Confident	145 Å²	145	74.9 Å²	74.9	78%	0.775	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-32.5	-171.7	-48.7	-66.6	0	0	0	112.2	C391	D389-C391 VanDerWaalsContact C-N 3.32Å; D389-C391 PolarHBondContact O-N 3.33Å
390	E	86.8	Confident	86.1	Confident	126 Å²	126	73.2 Å²	73.2	59%	0.589	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.5	178.7	-63.4	-178	-109.2	0	0	115	C388 H408	C388-E390 VanDerWaalsContact C-N 3.29Å; C388-E390 PolarHBondContact O-N 3.04Å; E390-H408 WeakPolarHBondContact OE1-CB 3.41Å; E390-H408 IonicContact OE1-CD2 3.74Å; E390-H408 IonicContact OE1-CG 3.73Å; E390-H408 VanDerWaalsContact OE2-CB 3.24Å; E390-H408 WeakPolarHBondContact OE2-CB 3.43Å; E390-H408 IonicContact OE2-CG 3.96Å; E390-H408 IonicContact OE2-ND1 3.19Å
391	C	87.9	Confident	86.2	Confident	63 Å²	63	70.9 Å²	70.9	43%	0.426	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.9	11.9	-174.9	70.5	0	0	0	0	115.2	C388 D389 K393 H404 H408	C388-C391 PolarHBondContact O-N 3.08Å; D389-C391 VanDerWaalsContact C-N 3.32Å; D389-C391 PolarHBondContact O-N 3.33Å; C391-K393 PolarHBondContact O-N 2.8Å; C391-K393 VanDerWaalsContact SG-CB 3.51Å; C391-H404 PolarHBondContact SG-NE2 2.82Å; C391-H408 PolarHBondContact SG-NE2 2.95Å
392	G	85.3	Confident	86.2	Confident	55 Å²	55	75.9 Å²	75.9	57%	0.567	41%	0.406	S	S	*	.			trans	64.4	-2.6	-177.8	0	0	0	0	0	115.9	C388 G394	C388-G392 VanDerWaalsContact O-CA 3.27Å; C388-G392 WeakPolarHBondContact O-CA 3.47Å; C388-G392 PolarHBondContact O-N 3.18Å; G392-G394 PolarHBondContact O-N 3.2Å
393	K	86.7	Confident	86	Confident	118 Å²	118	76.7 Å²	76.7	51%	0.513	40%	0.4	S	S	.	.			trans	-71.5	121.6	-166.1	-169.6	170.7	-178	173.5	0	112.1	K387 C388 C391 F395	K387-K393 CarbonylContact C-O 3.56Å; K387-K393 WeakPolarHBondContact CA-O 3.5Å; C388-K393 HydrophobicContact CB-CB 4.46Å; C388-K393 PolarHBondContact N-O 3.35Å; C391-K393 PolarHBondContact O-N 2.8Å; C391-K393 VanDerWaalsContact SG-CB 3.51Å; K393-F395 HydrophobicContact CB-CE2 4.04Å; K393-F395 HydrophobicContact CB-CZ 4.46Å; K393-F395 HydrophobicContact CD-CE2 4.28Å; K393-F395 HydrophobicContact CD-CZ 3.86Å; K393-F395 HydrophobicContact CG-CE2 3.82Å; K393-F395 HydrophobicContact CG-CZ 3.85Å; K393-F395 VanDerWaalsContact O-CD2 3.3Å; K393-F395 WeakPolarHBondContact O-CD2 3.39Å; K393-F395 WeakPolarHBondContact O-CE2 3.31Å
394	G	86.2	Confident	85.9	Confident	24 Å²	24	74.1 Å²	74.1	25%	0.247	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	141.5	-178.3	0	0	0	0	0	115	Y386 G392	Y386-G394 CarbonylContact O-C 3.45Å; G392-G394 PolarHBondContact O-N 3.2Å
395	F	86	Confident	85.6	Confident	35 Å²	35	71.5 Å²	71.5	15%	0.154	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.9	177.8	-60.8	-93	0	0	0	111.4	K384 Y386 C388 K393 Q397 N400 L401 H404	K384-F395 CarbonylContact C-O 3.29Å; K384-F395 VanDerWaalsContact C-O 3.28Å; K384-F395 VanDerWaalsContact CA-O 3.29Å; K384-F395 WeakPolarHBondContact CA-O 3.28Å; Y386-F395 PolarHBondContact N-O 3.19Å; Y386-F395 VanDerWaalsContact N-O 3.14Å; Y386-F395 PolarHBondContact O-N 3.3Å; C388-F395 HydrophobicContact CB-CE2 4.43Å; K393-F395 HydrophobicContact CB-CE2 4.04Å; K393-F395 HydrophobicContact CB-CZ 4.46Å; K393-F395 HydrophobicContact CD-CE2 4.28Å; K393-F395 HydrophobicContact CD-CZ 3.86Å; K393-F395 HydrophobicContact CG-CE2 3.82Å; K393-F395 HydrophobicContact CG-CZ 3.85Å; K393-F395 VanDerWaalsContact O-CD2 3.3Å; K393-F395 WeakPolarHBondContact O-CD2 3.39Å; K393-F395 WeakPolarHBondContact O-CE2 3.31Å; F395-Q397 VanDerWaalsContact C-N 3.32Å; F395-N400 HydrophobicContact CB-CB 4.36Å; F395-N400 HydrophobicContact CD1-CB 3.84Å; F395-N400 HydrophobicContact CG-CB 4.4Å; F395-L401 HydrophobicContact CB-CB 4.39Å; F395-L401 HydrophobicContact CD2-CB 4.08Å; F395-L401 HydrophobicContact CD2-CD1 4.04Å; F395-L401 HydrophobicContact CE2-CD1 4.24Å; F395-L401 HydrophobicContact CG-CB 4.32Å; F395-H404 HydrophobicContact CE1-CB 4.03Å; F395-H404 HydrophobicContact CE2-CB 4.09Å; F395-H404 AromaticContact CE2-CD2 3.22Å; F395-H404 WeakPolarHBondContact CE2-CD2 3.44Å; F395-H404 AromaticContact CE2-CG 3.87Å; F395-H404 HydrophobicContact CZ-CB 3.56Å; F395-H404 AromaticContact CZ-CD2 3.18Å; F395-H404 WeakPolarHBondContact CZ-CD2 3.42Å; F395-H404 AromaticContact CZ-CG 3.4Å; F395-H404 AromaticContact CZ-NE2 3.94Å
396	S	84.8	Confident	85.4	Confident	32 Å²	32	69.8 Å²	69.8	22%	0.224	36%	0.364	C	S	.	.	S	Bend	trans	-79.6	-10.7	177.6	55.3	0	0	0	0	114.2	R378	R378-S396 PolarHBondContact NH1-O 2.78Å
397	Q	84.1	Confident	85	Confident	76 Å²	76	70.4 Å²	70.4	36%	0.355	38%	0.377	S	S	.	.	S	Bend	trans	-140.5	140.8	179.2	-58.4	178.4	38.2	0	0	111.2	V375 F395 S399 N400 L401	V375-Q397 HydrophobicContact CG1-CG 3.58Å; V375-Q397 VanDerWaalsContact CG1-NE2 3.29Å; F395-Q397 VanDerWaalsContact C-N 3.32Å; Q397-S399 VanDerWaalsContact C-N 3.34Å; Q397-S399 WeakPolarHBondContact CB-OG 3.27Å; Q397-S399 PolarHBondContact O-N 2.97Å; Q397-S399 PolarHBondContact OE1-OG 3.09Å; Q397-N400 PolarHBondContact O-N 2.89Å; Q397-L401 PolarHBondContact O-N 3.35Å
398	S	84.3	Confident	84.8	Confident	68 Å²	68	67 Å²	67	48%	0.476	36%	0.363	S	S	.	.	H	α-helix	trans	-65.8	-32.5	178.6	51.1	0	0	0	0	113.5	Y386 N400 L401 R402	Y386-S398 VanDerWaalsContact CD2-N 3.26Å; S398-N400 VanDerWaalsContact C-N 3.28Å; S398-N400 PolarHBondContact O-N 3.38Å; S398-L401 PolarHBondContact O-N 3.37Å; S398-R402 PolarHBondContact O-N 2.81Å
399	S	81.1	Confident	84.3	Confident	49 Å²	49	71.5 Å²	71.5	34%	0.343	39%	0.39	S	S	.	.	H	α-helix	trans	-55.4	-43	172	47.8	0	0	0	0	112.3	Q397 R402 I403	Q397-S399 VanDerWaalsContact C-N 3.34Å; Q397-S399 WeakPolarHBondContact CB-OG 3.27Å; Q397-S399 PolarHBondContact O-N 2.97Å; Q397-S399 PolarHBondContact OE1-OG 3.09Å; S399-R402 PolarHBondContact O-N 2.92Å; S399-I403 VanDerWaalsContact O-CG1 3.3Å; S399-I403 WeakPolarHBondContact O-CG1 3.23Å; S399-I403 PolarHBondContact O-N 3.34Å
400	N	82.6	Confident	83.9	Confident	64 Å²	64	66.4 Å²	66.4	34%	0.342	37%	0.372	S	S	.	.	H	α-helix	trans	-72.6	-35.7	179.8	-65.6	-23	0	0	0	111.9	F395 Q397 S398 H404	F395-N400 HydrophobicContact CB-CB 4.36Å; F395-N400 HydrophobicContact CD1-CB 3.84Å; F395-N400 HydrophobicContact CG-CB 4.4Å; Q397-N400 PolarHBondContact O-N 2.89Å; S398-N400 VanDerWaalsContact C-N 3.28Å; S398-N400 PolarHBondContact O-N 3.38Å; N400-H404 WeakPolarHBondContact O-CB 3.3Å; N400-H404 PolarHBondContact O-N 3.14Å
401	L	86.3	Confident	83.5	Confident	21 Å²	21	65 Å²	65	11%	0.11	37%	0.366	C	S	.	.	H	α-helix	trans	-61.6	-49.4	170.5	171.4	59.9	0	0	0	111	K387 C388 F395 Q397 S398 I403 H404 Q405	K387-L401 WeakPolarHBondContact O-CD2 3.36Å; C388-L401 HydrophobicContact CB-CD1 3.5Å; C388-L401 VanDerWaalsContact CB-CD1 3.5Å; F395-L401 HydrophobicContact CB-CB 4.39Å; F395-L401 HydrophobicContact CD2-CB 4.08Å; F395-L401 HydrophobicContact CD2-CD1 4.04Å; F395-L401 HydrophobicContact CE2-CD1 4.24Å; F395-L401 HydrophobicContact CG-CB 4.32Å; Q397-L401 PolarHBondContact O-N 3.35Å; S398-L401 PolarHBondContact O-N 3.37Å; L401-I403 VanDerWaalsContact C-N 3.31Å; L401-I403 PolarHBondContact O-N 3.45Å; L401-H404 CarbonylContact O-C 3.58Å; L401-H404 WeakPolarHBondContact O-CA 3.46Å; L401-H404 WeakPolarHBondContact O-CB 3.2Å; L401-H404 PolarHBondContact O-N 3.11Å; L401-Q405 HydrophobicContact CD1-CG 4.16Å; L401-Q405 PolarHBondContact O-N 2.81Å
402	R	83.8	Confident	83.2	Confident	183 Å²	183	67.5 Å²	67.5	69%	0.691	37%	0.369	S	S	*	.	H	α-helix	trans	-60	-40.5	179.5	-166.9	-179.9	70.8	177.9	3.8	112.5	S398 S399 H404 Q405	S398-R402 PolarHBondContact O-N 2.81Å; S399-R402 PolarHBondContact O-N 2.92Å; R402-H404 VanDerWaalsContact C-N 3.28Å; R402-H404 PolarHBondContact O-N 3.13Å; R402-Q405 PolarHBondContact O-N 3.22Å
403	I	79.1	Confident	83	Confident	57 Å²	57	68.1 Å²	68.1	29%	0.292	37%	0.365	S	S	.	.	H	α-helix	trans	-66.8	-30.6	174.4	-70.7	167.7	0	0	0	111.7	S399 L401 Q425	S399-I403 VanDerWaalsContact O-CG1 3.3Å; S399-I403 WeakPolarHBondContact O-CG1 3.23Å; S399-I403 PolarHBondContact O-N 3.34Å; L401-I403 VanDerWaalsContact C-N 3.31Å; L401-I403 PolarHBondContact O-N 3.45Å; I403-Q425 HydrophobicContact CG2-CG 4.24Å
404	H	83.6	Confident	82.9	Confident	25 Å²	25	67 Å²	67	12%	0.116	36%	0.358	C	S	.	.	H	α-helix	trans	-75.3	-35.8	175.7	172.1	40	0	0	0	113.1	C391 F395 N400 L401 R402 L406 V407 H408	C391-H404 PolarHBondContact SG-NE2 2.82Å; F395-H404 HydrophobicContact CE1-CB 4.03Å; F395-H404 HydrophobicContact CE2-CB 4.09Å; F395-H404 AromaticContact CE2-CD2 3.22Å; F395-H404 WeakPolarHBondContact CE2-CD2 3.44Å; F395-H404 AromaticContact CE2-CG 3.87Å; F395-H404 HydrophobicContact CZ-CB 3.56Å; F395-H404 AromaticContact CZ-CD2 3.18Å; F395-H404 WeakPolarHBondContact CZ-CD2 3.42Å; F395-H404 AromaticContact CZ-CG 3.4Å; F395-H404 AromaticContact CZ-NE2 3.94Å; N400-H404 WeakPolarHBondContact O-CB 3.3Å; N400-H404 PolarHBondContact O-N 3.14Å; L401-H404 CarbonylContact O-C 3.58Å; L401-H404 WeakPolarHBondContact O-CA 3.46Å; L401-H404 WeakPolarHBondContact O-CB 3.2Å; L401-H404 PolarHBondContact O-N 3.11Å; R402-H404 VanDerWaalsContact C-N 3.28Å; R402-H404 PolarHBondContact O-N 3.13Å; H404-L406 PolarHBondContact O-N 2.93Å; H404-V407 WeakPolarHBondContact O-CA 3.3Å; H404-V407 WeakPolarHBondContact O-CB 3.36Å; H404-V407 WeakPolarHBondContact O-CG2 3.38Å; H404-V407 PolarHBondContact O-N 3.43Å; H404-H408 AromaticContact CE1-NE2 3.44Å; H404-H408 PolarHBondContact CE1-NE2 2.97Å; H404-H408 AromaticContact NE2-NE2 3.47Å; H404-H408 PolarHBondContact NE2-NE2 3.49Å
405	Q	83.5	Confident	82.9	Confident	66 Å²	66	73.1 Å²	73.1	31%	0.308	38%	0.378	S	S	.	.	H	α-helix	trans	-58.2	-31.2	176.8	-72.9	167.7	-52.2	0	0	112.1	L401 R402 V407 H408 T409	L401-Q405 HydrophobicContact CD1-CG 4.16Å; L401-Q405 PolarHBondContact O-N 2.81Å; R402-Q405 PolarHBondContact O-N 3.22Å; Q405-V407 PolarHBondContact O-N 3.35Å; Q405-V407 VanDerWaalsContact O-N 3.09Å; Q405-H408 PolarHBondContact O-N 2.86Å; Q405-T409 PolarHBondContact O-N 3.1Å; Q405-T409 VanDerWaalsContact O-N 3.16Å
406	L	83.8	Confident	83.1	Confident	33 Å²	33	71.5 Å²	71.5	17%	0.173	37%	0.371	C	S	.	.	H	α-helix	trans	-61.1	-15.3	171.3	-53.2	178.9	0	0	0	114.3	H404 T409 G410 E411 T424	H404-L406 PolarHBondContact O-N 2.93Å; L406-T409 WeakPolarHBondContact CA-OG1 3.4Å; L406-G410 CarbonylContact O-C 3.59Å; L406-G410 WeakPolarHBondContact O-CA 3.43Å; L406-G410 PolarHBondContact O-N 2.81Å; L406-E411 HydrophobicContact CD2-CB 4.2Å; L406-E411 PolarHBondContact O-N 2.61Å; L406-T424 HydrophobicContact CB-CG2 3.75Å; L406-T424 HydrophobicContact CD1-CG2 4.43Å
407	V	81.8	Confident	83.3	Confident	97 Å²	97	78.6 Å²	78.6	59%	0.588	40%	0.4	S	S	*	.	H	α-helix	trans	-77.3	-32.3	172.9	-176.1	0	0	0	0	111.1	H404 Q405	H404-V407 WeakPolarHBondContact O-CA 3.3Å; H404-V407 WeakPolarHBondContact O-CB 3.36Å; H404-V407 WeakPolarHBondContact O-CG2 3.38Å; H404-V407 PolarHBondContact O-N 3.43Å; Q405-V407 PolarHBondContact O-N 3.35Å; Q405-V407 VanDerWaalsContact O-N 3.09Å
408	H	82.6	Confident	83.5	Confident	70 Å²	70	79.8 Å²	79.8	32%	0.324	41%	0.409	S	S	.	.	H	α-helix	trans	-81.6	-46.9	179.2	-64.2	-64	0	0	0	111.9	E390 C391 H404 Q405 G410	E390-H408 WeakPolarHBondContact OE1-CB 3.41Å; E390-H408 IonicContact OE1-CD2 3.74Å; E390-H408 IonicContact OE1-CG 3.73Å; E390-H408 VanDerWaalsContact OE2-CB 3.24Å; E390-H408 WeakPolarHBondContact OE2-CB 3.43Å; E390-H408 IonicContact OE2-CG 3.96Å; E390-H408 IonicContact OE2-ND1 3.19Å; C391-H408 PolarHBondContact SG-NE2 2.95Å; H404-H408 AromaticContact CE1-NE2 3.44Å; H404-H408 PolarHBondContact CE1-NE2 2.97Å; H404-H408 AromaticContact NE2-NE2 3.47Å; H404-H408 PolarHBondContact NE2-NE2 3.49Å; Q405-H408 PolarHBondContact O-N 2.86Å; H408-G410 PolarHBondContact O-N 3.16Å
409	T	81.8	Confident	83.7	Confident	94 Å²	94	79.4 Å²	79.4	58%	0.577	41%	0.406	S	S	*	.	S	Bend	trans	-67.2	-14.9	173.3	65.2	0	0	0	0	112.9	Q405 L406 E411	Q405-T409 PolarHBondContact O-N 3.1Å; Q405-T409 VanDerWaalsContact O-N 3.16Å; L406-T409 WeakPolarHBondContact CA-OG1 3.4Å; T409-E411 PolarHBondContact O-N 3.25Å; T409-E411 VanDerWaalsContact O-N 3.16Å; T409-E411 WeakPolarHBondContact OG1-CB 3.42Å; T409-E411 PolarHBondContact OG1-N 3.2Å
410	G	79.1	Confident	83.8	Confident	39 Å²	39	79.7 Å²	79.7	40%	0.402	42%	0.416	S	S	.	.			trans	67.9	4.2	-173.3	0	0	0	0	0	114.1	L406 H408 K412	L406-G410 CarbonylContact O-C 3.59Å; L406-G410 WeakPolarHBondContact O-CA 3.43Å; L406-G410 PolarHBondContact O-N 2.81Å; H408-G410 PolarHBondContact O-N 3.16Å; G410-K412 PolarHBondContact O-N 2.99Å
411	E	79	Confident	83.9	Confident	97 Å²	97	82.2 Å²	82.2	45%	0.453	42%	0.424	S	S	.	.			trans	-65.6	125.4	-170.7	-164.2	-147.8	128.7	0	0	111.4	L406 T409 S413	L406-E411 HydrophobicContact CD2-CB 4.2Å; L406-E411 PolarHBondContact O-N 2.61Å; T409-E411 PolarHBondContact O-N 3.25Å; T409-E411 VanDerWaalsContact O-N 3.16Å; T409-E411 WeakPolarHBondContact OG1-CB 3.42Å; T409-E411 PolarHBondContact OG1-N 3.2Å; E411-S413 WeakPolarHBondContact OE1-CB 3.26Å; E411-S413 PolarHBondContact OE1-OG 3.46Å
412	K	81.4	Confident	83.8	Confident	115 Å²	115	82.1 Å²	82.1	50%	0.5	43%	0.428	S	S	.	.			trans	-126.5	73	-175.6	-75.6	156.4	179.5	165.5	0	109.6	G410 Y414 G422 F423	G410-K412 PolarHBondContact O-N 2.99Å; K412-Y414 PolarHBondContact O-N 3.18Å; K412-G422 WeakPolarHBondContact CD-O 3.39Å; K412-F423 CarbonylContact C-O 3.59Å; K412-F423 WeakPolarHBondContact CA-O 3.29Å
413	S	81.9	Confident	83.8	Confident	68 Å²	68	75.1 Å²	75.1	48%	0.476	40%	0.403	S	S	.	.			trans	-62.3	-11.5	-175.4	-6.3	0	0	0	0	114	E411	E411-S413 WeakPolarHBondContact OE1-CB 3.26Å; E411-S413 PolarHBondContact OE1-OG 3.46Å
414	Y	84.2	Confident	83.7	Confident	93 Å²	93	74 Å²	74	37%	0.365	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	101.9	176.4	-54.9	-81.6	0	0	0	110.3	K412 G422 F423 Q425 R426	K412-Y414 PolarHBondContact O-N 3.18Å; Y414-G422 CarbonylContact O-C 3.56Å; Y414-F423 PolarHBondContact N-O 2.97Å; Y414-F423 VanDerWaalsContact N-O 3.17Å; Y414-F423 PolarHBondContact O-N 3.4Å; Y414-Q425 VanDerWaalsContact CD2-C 3.5Å; Y414-R426 HydrophobicContact CD1-CB 3.75Å; Y414-R426 HydrophobicContact CD1-CG 4.19Å; Y414-R426 HydrophobicContact CE1-CB 3.63Å; Y414-R426 HydrophobicContact CE1-CG 4.24Å; Y414-R426 HydrophobicContact CG-CB 4.31Å
415	K	86.2	Confident	83.5	Confident	153 Å²	153	76 Å²	76	67%	0.665	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	144.6	177.4	-61.1	179.4	-174.1	174.7	0	111	L429	K415-L429 VanDerWaalsContact O-CD2 3.31Å; K415-L429 WeakPolarHBondContact O-CD2 3.18Å
416	C	89.6	Confident	83.2	Confident	1 Å²	1	80.6 Å²	80.6	1%	0.007	42%	0.423	C	S	.	.			trans	-82.3	128.3	166	171.1	0	0	0	0	109.1	D418 G420 K421 F423 L429 H436	C416-D418 PolarHBondContact SG-OD2 2.85Å; C416-G420 CarbonylContact O-C 3.57Å; C416-G420 WeakPolarHBondContact O-CA 3.31Å; C416-G420 PolarHBondContact O-N 2.99Å; C416-K421 HydrophobicContact CB-CB 4.43Å; C416-K421 WeakPolarHBondContact CB-O 3.27Å; C416-K421 PolarHBondContact N-O 3.49Å; C416-F423 HydrophobicContact CB-CE2 4.44Å; C416-L429 HydrophobicContact CB-CD1 3.55Å; C416-H436 VanDerWaalsContact SG-CD2 3.58Å; C416-H436 PolarHBondContact SG-NE2 3.4Å
417	E	90.3	Very high	82.9	Confident	181 Å²	181	81.4 Å²	81.4	85%	0.846	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-40.7	-179.2	-71.4	158.2	-168.7	0	0	110.7	C419	E417-C419 VanDerWaalsContact C-N 3.27Å; E417-C419 PolarHBondContact O-N 2.82Å
418	D	86.8	Confident	82.9	Confident	102 Å²	102	79.9 Å²	79.9	55%	0.545	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.4	-176.6	-36	-84.5	0	0	0	114.5	C416 H436	C416-D418 PolarHBondContact SG-OD2 2.85Å; D418-H436 HydrophobicContact CB-CB 4.37Å; D418-H436 VanDerWaalsContact CB-CD2 3.49Å; D418-H436 WeakPolarHBondContact CB-CD2 3.44Å; D418-H436 IonicContact OD2-CD2 2.86Å; D418-H436 PolarHBondContact OD2-CD2 3.41Å; D418-H436 VanDerWaalsContact OD2-CD2 3.23Å; D418-H436 IonicContact OD2-NE2 3.49Å
419	C	88.5	Confident	83	Confident	59 Å²	59	77.4 Å²	77.4	40%	0.399	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.7	13.5	-175.2	73.7	0	0	0	0	115.3	E417 K421 H432 H436	E417-C419 VanDerWaalsContact C-N 3.27Å; E417-C419 PolarHBondContact O-N 2.82Å; C419-K421 PolarHBondContact O-N 2.97Å; C419-K421 WeakPolarHBondContact SG-CB 3.22Å; C419-H432 PolarHBondContact SG-NE2 3.25Å; C419-H436 WeakPolarHBondContact CB-CE1 3.37Å; C419-H436 PolarHBondContact SG-CE1 2.86Å; C419-H436 PolarHBondContact SG-NE2 3.45Å
420	G	84.7	Confident	82.9	Confident	55 Å²	55	78 Å²	78	57%	0.567	41%	0.405	S	S	*	.			trans	64.9	-3.2	-179.1	0	0	0	0	0	116.1	C416 G422	C416-G420 CarbonylContact O-C 3.57Å; C416-G420 WeakPolarHBondContact O-CA 3.31Å; C416-G420 PolarHBondContact O-N 2.99Å; G420-G422 PolarHBondContact O-N 3.19Å
421	K	83.9	Confident	82.9	Confident	117 Å²	117	78.9 Å²	78.9	51%	0.509	40%	0.4	S	S	.	.			trans	-69.7	121.1	-168.1	-171.3	173.3	-179.1	176.6	0	111.9	C416 C419 F423	C416-K421 HydrophobicContact CB-CB 4.43Å; C416-K421 WeakPolarHBondContact CB-O 3.27Å; C416-K421 PolarHBondContact N-O 3.49Å; C419-K421 PolarHBondContact O-N 2.97Å; C419-K421 WeakPolarHBondContact SG-CB 3.22Å; K421-F423 HydrophobicContact CB-CE2 4.09Å; K421-F423 HydrophobicContact CD-CE2 4.25Å; K421-F423 HydrophobicContact CD-CZ 3.85Å; K421-F423 HydrophobicContact CG-CE2 3.83Å; K421-F423 HydrophobicContact CG-CZ 3.89Å; K421-F423 VanDerWaalsContact O-CD2 3.29Å; K421-F423 WeakPolarHBondContact O-CD2 3.44Å; K421-F423 WeakPolarHBondContact O-CE2 3.34Å
422	G	84.6	Confident	83.2	Confident	19 Å²	19	75.3 Å²	75.3	20%	0.196	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	143.2	-178.5	0	0	0	0	0	115.1	K412 Y414 G420	K412-G422 WeakPolarHBondContact CD-O 3.39Å; Y414-G422 CarbonylContact O-C 3.56Å; G420-G422 PolarHBondContact O-N 3.19Å
423	F	82.6	Confident	83.3	Confident	37 Å²	37	73.2 Å²	73.2	16%	0.162	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	151.5	179.5	-61.6	-93.1	0	0	0	111.5	K412 Y414 C416 K421 N428 L429 H432	K412-F423 CarbonylContact C-O 3.59Å; K412-F423 WeakPolarHBondContact CA-O 3.29Å; Y414-F423 PolarHBondContact N-O 2.97Å; Y414-F423 VanDerWaalsContact N-O 3.17Å; Y414-F423 PolarHBondContact O-N 3.4Å; C416-F423 HydrophobicContact CB-CE2 4.44Å; K421-F423 HydrophobicContact CB-CE2 4.09Å; K421-F423 HydrophobicContact CD-CE2 4.25Å; K421-F423 HydrophobicContact CD-CZ 3.85Å; K421-F423 HydrophobicContact CG-CE2 3.83Å; K421-F423 HydrophobicContact CG-CZ 3.89Å; K421-F423 VanDerWaalsContact O-CD2 3.29Å; K421-F423 WeakPolarHBondContact O-CD2 3.44Å; K421-F423 WeakPolarHBondContact O-CE2 3.34Å; F423-N428 HydrophobicContact CB-CB 4.42Å; F423-N428 HydrophobicContact CD1-CB 3.85Å; F423-N428 HydrophobicContact CG-CB 4.43Å; F423-L429 HydrophobicContact CB-CB 4.45Å; F423-L429 HydrophobicContact CD2-CB 4.12Å; F423-L429 HydrophobicContact CD2-CD1 4.09Å; F423-L429 HydrophobicContact CE2-CD1 4.27Å; F423-L429 HydrophobicContact CG-CB 4.37Å; F423-H432 HydrophobicContact CE1-CB 4.02Å; F423-H432 HydrophobicContact CE2-CB 4.01Å; F423-H432 AromaticContact CE2-CD2 3.29Å; F423-H432 WeakPolarHBondContact CE2-CD2 3.39Å; F423-H432 AromaticContact CE2-CG 3.84Å; F423-H432 HydrophobicContact CZ-CB 3.5Å; F423-H432 VanDerWaalsContact CZ-CB 3.5Å; F423-H432 AromaticContact CZ-CD2 3.24Å; F423-H432 WeakPolarHBondContact CZ-CD2 3.38Å; F423-H432 AromaticContact CZ-CG 3.36Å
424	T	77.9	Confident	83.5	Confident	34 Å²	34	72.5 Å²	72.5	21%	0.209	36%	0.362	C	S	.	.	S	Bend	trans	-84.3	-5.9	176.2	55.7	0	0	0	0	113.7	L406	L406-T424 HydrophobicContact CB-CG2 3.75Å; L406-T424 HydrophobicContact CD1-CG2 4.43Å
425	Q	79.1	Confident	83.6	Confident	65 Å²	65	73 Å²	73	30%	0.304	38%	0.375	S	S	.	.	S	Bend	trans	-146.3	138.4	-179	-58.5	179.3	37.3	0	0	111.5	I403 Y414 S427 N428 L429	I403-Q425 HydrophobicContact CG2-CG 4.24Å; Y414-Q425 VanDerWaalsContact CD2-C 3.5Å; Q425-S427 VanDerWaalsContact C-N 3.3Å; Q425-S427 PolarHBondContact O-N 3.36Å; Q425-S427 PolarHBondContact OE1-OG 3.04Å; Q425-N428 HydrophobicContact CB-CB 4.48Å; Q425-N428 PolarHBondContact O-N 3.28Å; Q425-N428 VanDerWaalsContact O-N 3.15Å; Q425-L429 PolarHBondContact O-N 2.95Å
426	R	78.7	Confident	83.6	Confident	164 Å²	164	69.9 Å²	69.9	62%	0.619	36%	0.363	S	S	*	.	H	α-helix	trans	-57.9	-38.1	176.7	-169	173.7	-179.8	161.2	2.8	113.4	Y414 N428 L429 Q430	Y414-R426 HydrophobicContact CD1-CB 3.75Å; Y414-R426 HydrophobicContact CD1-CG 4.19Å; Y414-R426 HydrophobicContact CE1-CB 3.63Å; Y414-R426 HydrophobicContact CE1-CG 4.24Å; Y414-R426 HydrophobicContact CG-CB 4.31Å; R426-N428 VanDerWaalsContact C-N 3.33Å; R426-N428 PolarHBondContact O-N 3.24Å; R426-L429 WeakPolarHBondContact O-CB 3.39Å; R426-L429 PolarHBondContact O-N 3.21Å; R426-Q430 HydrophobicContact CG-CG 4.48Å; R426-Q430 WeakPolarHBondContact O-CG 3.29Å; R426-Q430 PolarHBondContact O-N 3.17Å
427	S	76.6	Confident	83.4	Confident	50 Å²	50	74.1 Å²	74.1	35%	0.35	39%	0.388	S	S	.	.	H	α-helix	trans	-57.6	-43.6	175.9	45.1	0	0	0	0	112.3	Q425 Q430 I431	Q425-S427 VanDerWaalsContact C-N 3.3Å; Q425-S427 PolarHBondContact O-N 3.36Å; Q425-S427 PolarHBondContact OE1-OG 3.04Å; S427-Q430 PolarHBondContact O-N 3.02Å; S427-I431 WeakPolarHBondContact O-CB 3.3Å; S427-I431 VanDerWaalsContact O-CG1 3.27Å; S427-I431 WeakPolarHBondContact O-CG1 3.43Å; S427-I431 PolarHBondContact O-N 2.96Å
428	N	81	Confident	83.1	Confident	64 Å²	64	67.7 Å²	67.7	34%	0.342	37%	0.37	S	S	.	.	H	α-helix	trans	-69.8	-34.2	178.9	-65.2	-23.2	0	0	0	111.7	F423 Q425 R426 H432	F423-N428 HydrophobicContact CB-CB 4.42Å; F423-N428 HydrophobicContact CD1-CB 3.85Å; F423-N428 HydrophobicContact CG-CB 4.43Å; Q425-N428 HydrophobicContact CB-CB 4.48Å; Q425-N428 PolarHBondContact O-N 3.28Å; Q425-N428 VanDerWaalsContact O-N 3.15Å; R426-N428 VanDerWaalsContact C-N 3.33Å; R426-N428 PolarHBondContact O-N 3.24Å; N428-H432 WeakPolarHBondContact O-CB 3.34Å; N428-H432 PolarHBondContact O-N 3.31Å
429	L	84.9	Confident	82.9	Confident	19 Å²	19	67.8 Å²	67.8	10%	0.099	37%	0.368	C	S	.	.	H	α-helix	trans	-64.6	-49.8	171	171.7	59.4	0	0	0	111.5	K415 C416 F423 Q425 R426 I431 H432 Q433	K415-L429 VanDerWaalsContact O-CD2 3.31Å; K415-L429 WeakPolarHBondContact O-CD2 3.18Å; C416-L429 HydrophobicContact CB-CD1 3.55Å; F423-L429 HydrophobicContact CB-CB 4.45Å; F423-L429 HydrophobicContact CD2-CB 4.12Å; F423-L429 HydrophobicContact CD2-CD1 4.09Å; F423-L429 HydrophobicContact CE2-CD1 4.27Å; F423-L429 HydrophobicContact CG-CB 4.37Å; Q425-L429 PolarHBondContact O-N 2.95Å; R426-L429 WeakPolarHBondContact O-CB 3.39Å; R426-L429 PolarHBondContact O-N 3.21Å; L429-I431 VanDerWaalsContact C-N 3.28Å; L429-I431 PolarHBondContact O-N 3.33Å; L429-H432 CarbonylContact O-C 3.57Å; L429-H432 WeakPolarHBondContact O-CA 3.48Å; L429-H432 WeakPolarHBondContact O-CB 3.48Å; L429-H432 PolarHBondContact O-N 3.44Å; L429-Q433 HydrophobicContact CD1-CG 4.12Å; L429-Q433 WeakPolarHBondContact O-CG 3.32Å; L429-Q433 PolarHBondContact O-N 3.46Å
430	Q	80.8	Confident	82.8	Confident	106 Å²	106	70.9 Å²	70.9	50%	0.495	37%	0.374	S	S	.	.	H	α-helix	trans	-60.5	-36.8	178.7	-71.1	178	-62.6	0	0	112.7	R426 S427	R426-Q430 HydrophobicContact CG-CG 4.48Å; R426-Q430 WeakPolarHBondContact O-CG 3.29Å; R426-Q430 PolarHBondContact O-N 3.17Å; S427-Q430 PolarHBondContact O-N 3.02Å
431	I	79.1	Confident	82.7	Confident	58 Å²	58	71.5 Å²	71.5	30%	0.297	37%	0.368	S	S	.	.	H	α-helix	trans	-68.9	-36.7	172.6	-70.3	168.4	0	0	0	111	S427 L429 R434 H453	S427-I431 WeakPolarHBondContact O-CB 3.3Å; S427-I431 VanDerWaalsContact O-CG1 3.27Å; S427-I431 WeakPolarHBondContact O-CG1 3.43Å; S427-I431 PolarHBondContact O-N 2.96Å; L429-I431 VanDerWaalsContact C-N 3.28Å; L429-I431 PolarHBondContact O-N 3.33Å; I431-R434 WeakPolarHBondContact O-CB 3.32Å; I431-H453 VanDerWaalsContact CG2-CE1 3.45Å; I431-H453 WeakPolarHBondContact CG2-CE1 3.32Å; I431-H453 WeakPolarHBondContact CG2-NE2 3.16Å
432	H	84.4	Confident	82.8	Confident	22 Å²	22	69.8 Å²	69.8	10%	0.102	36%	0.359	C	S	.	.	H	α-helix	trans	-69.3	-36.3	177	175.4	41.3	0	0	0	113.6	C419 F423 N428 L429 R434 V435 H436	C419-H432 PolarHBondContact SG-NE2 3.25Å; F423-H432 HydrophobicContact CE1-CB 4.02Å; F423-H432 HydrophobicContact CE2-CB 4.01Å; F423-H432 AromaticContact CE2-CD2 3.29Å; F423-H432 WeakPolarHBondContact CE2-CD2 3.39Å; F423-H432 AromaticContact CE2-CG 3.84Å; F423-H432 HydrophobicContact CZ-CB 3.5Å; F423-H432 VanDerWaalsContact CZ-CB 3.5Å; F423-H432 AromaticContact CZ-CD2 3.24Å; F423-H432 WeakPolarHBondContact CZ-CD2 3.38Å; F423-H432 AromaticContact CZ-CG 3.36Å; N428-H432 WeakPolarHBondContact O-CB 3.34Å; N428-H432 PolarHBondContact O-N 3.31Å; L429-H432 CarbonylContact O-C 3.57Å; L429-H432 WeakPolarHBondContact O-CA 3.48Å; L429-H432 WeakPolarHBondContact O-CB 3.48Å; L429-H432 PolarHBondContact O-N 3.44Å; H432-R434 PolarHBondContact O-N 2.86Å; H432-R434 VanDerWaalsContact O-N 3.07Å; H432-V435 VanDerWaalsContact O-CB 3.22Å; H432-V435 WeakPolarHBondContact O-CB 3.47Å; H432-V435 VanDerWaalsContact O-CG2 3.31Å; H432-V435 WeakPolarHBondContact O-CG2 3.46Å; H432-V435 PolarHBondContact O-N 3.08Å; H432-H436 AromaticContact CD2-NE2 3.66Å; H432-H436 AromaticContact CE1-NE2 3.47Å; H432-H436 PolarHBondContact CE1-NE2 3.4Å; H432-H436 AromaticContact NE2-NE2 2.91Å; H432-H436 PolarHBondContact NE2-NE2 2.86Å
433	Q	83.3	Confident	82.9	Confident	70 Å²	70	74.4 Å²	74.4	33%	0.327	37%	0.374	S	S	.	.	H	α-helix	trans	-56.9	-26.7	179.5	-73.5	173.3	-68	0	0	112.6	L429 V435 H436 T437	L429-Q433 HydrophobicContact CD1-CG 4.12Å; L429-Q433 WeakPolarHBondContact O-CG 3.32Å; L429-Q433 PolarHBondContact O-N 3.46Å; Q433-V435 PolarHBondContact O-N 3.21Å; Q433-V435 VanDerWaalsContact O-N 3.14Å; Q433-H436 PolarHBondContact O-N 3.11Å; Q433-T437 PolarHBondContact O-N 3.24Å; Q433-T437 PolarHBondContact O-OG1 3.12Å
434	R	87.1	Confident	83.3	Confident	53 Å²	53	72.7 Å²	72.7	20%	0.2	37%	0.366	C	S	.	.	H	α-helix	trans	-59.9	-18.3	170.8	-59.4	-173.6	176.6	151.6	5.6	115.1	I431 H432 H436 T437 G438 E439 S452	I431-R434 WeakPolarHBondContact O-CB 3.32Å; H432-R434 PolarHBondContact O-N 2.86Å; H432-R434 VanDerWaalsContact O-N 3.07Å; R434-H436 VanDerWaalsContact C-N 3.33Å; R434-T437 WeakPolarHBondContact CA-OG1 3.3Å; R434-G438 CarbonylContact O-C 3.2Å; R434-G438 VanDerWaalsContact O-CA 3.31Å; R434-G438 WeakPolarHBondContact O-CA 3.4Å; R434-G438 PolarHBondContact O-N 3.49Å; R434-G438 VanDerWaalsContact O-N 3.1Å; R434-E439 HydrophobicContact CB-CB 4.15Å; R434-E439 HydrophobicContact CG-CB 3.95Å; R434-E439 IonicContact NE-OE2 2.67Å; R434-E439 PolarHBondContact O-N 2.74Å; R434-S452 PolarHBondContact NH1-O 2.84Å
435	V	86.1	Confident	83.9	Confident	104 Å²	104	77.7 Å²	77.7	63%	0.63	39%	0.392	S	S	*	.	H	α-helix	trans	-72.3	-30.8	173.1	-179.9	0	0	0	0	110.9	H432 Q433	H432-V435 VanDerWaalsContact O-CB 3.22Å; H432-V435 WeakPolarHBondContact O-CB 3.47Å; H432-V435 VanDerWaalsContact O-CG2 3.31Å; H432-V435 WeakPolarHBondContact O-CG2 3.46Å; H432-V435 PolarHBondContact O-N 3.08Å; Q433-V435 PolarHBondContact O-N 3.21Å; Q433-V435 VanDerWaalsContact O-N 3.14Å
436	H	85.8	Confident	84.3	Confident	88 Å²	88	79.5 Å²	79.5	41%	0.407	40%	0.404	S	S	.	.	H	α-helix	trans	-91.5	-43.4	-179.4	-53.5	-54.3	0	0	0	111.8	C416 D418 C419 H432 Q433 R434 G438	C416-H436 VanDerWaalsContact SG-CD2 3.58Å; C416-H436 PolarHBondContact SG-NE2 3.4Å; D418-H436 HydrophobicContact CB-CB 4.37Å; D418-H436 VanDerWaalsContact CB-CD2 3.49Å; D418-H436 WeakPolarHBondContact CB-CD2 3.44Å; D418-H436 IonicContact OD2-CD2 2.86Å; D418-H436 PolarHBondContact OD2-CD2 3.41Å; D418-H436 VanDerWaalsContact OD2-CD2 3.23Å; D418-H436 IonicContact OD2-NE2 3.49Å; C419-H436 WeakPolarHBondContact CB-CE1 3.37Å; C419-H436 PolarHBondContact SG-CE1 2.86Å; C419-H436 PolarHBondContact SG-NE2 3.45Å; H432-H436 AromaticContact CD2-NE2 3.66Å; H432-H436 AromaticContact CE1-NE2 3.47Å; H432-H436 PolarHBondContact CE1-NE2 3.4Å; H432-H436 AromaticContact NE2-NE2 2.91Å; H432-H436 PolarHBondContact NE2-NE2 2.86Å; Q433-H436 PolarHBondContact O-N 3.11Å; R434-H436 VanDerWaalsContact C-N 3.33Å; H436-G438 PolarHBondContact O-N 3.25Å
437	T	84.8	Confident	84.8	Confident	90 Å²	90	74 Å²	74	55%	0.552	39%	0.39	S	S	*	.	H	α-helix	trans	-75.1	-12.3	175.4	64.1	0	0	0	0	113.6	Q433 R434 E439	Q433-T437 PolarHBondContact O-N 3.24Å; Q433-T437 PolarHBondContact O-OG1 3.12Å; R434-T437 WeakPolarHBondContact CA-OG1 3.3Å; T437-E439 PolarHBondContact O-N 3.14Å; T437-E439 WeakPolarHBondContact OG1-CB 3.49Å; T437-E439 WeakPolarHBondContact OG1-CG 3.36Å; T437-E439 PolarHBondContact OG1-N 3.2Å
438	G	84.9	Confident	85.3	Confident	45 Å²	45	73.2 Å²	73.2	46%	0.464	39%	0.389	S	S	.	.			trans	70.7	2.4	-174.2	0	0	0	0	0	114.9	R434 H436 K440	R434-G438 CarbonylContact O-C 3.2Å; R434-G438 VanDerWaalsContact O-CA 3.31Å; R434-G438 WeakPolarHBondContact O-CA 3.4Å; R434-G438 PolarHBondContact O-N 3.49Å; R434-G438 VanDerWaalsContact O-N 3.1Å; H436-G438 PolarHBondContact O-N 3.25Å; G438-K440 PolarHBondContact O-N 2.89Å
439	E	83.3	Confident	85.6	Confident	105 Å²	105	75.9 Å²	75.9	49%	0.491	40%	0.398	S	S	.	.			trans	-55.3	126.7	-175.4	-87.2	-176.6	-165.6	0	0	113.4	R434 T437	R434-E439 HydrophobicContact CB-CB 4.15Å; R434-E439 HydrophobicContact CG-CB 3.95Å; R434-E439 IonicContact NE-OE2 2.67Å; R434-E439 PolarHBondContact O-N 2.74Å; T437-E439 PolarHBondContact O-N 3.14Å; T437-E439 WeakPolarHBondContact OG1-CB 3.49Å; T437-E439 WeakPolarHBondContact OG1-CG 3.36Å; T437-E439 PolarHBondContact OG1-N 3.2Å
440	K	85.3	Confident	85.8	Confident	123 Å²	123	78.3 Å²	78.3	54%	0.535	41%	0.411	S	S	.	.			trans	-129.7	78.8	176.2	-70.1	162.5	-177.7	176.4	0	110.5	G438 Y442 D450 F451	G438-K440 PolarHBondContact O-N 2.89Å; K440-Y442 PolarHBondContact O-N 3.09Å; K440-D450 HydrophobicContact CB-CB 3.43Å; K440-D450 VanDerWaalsContact CB-CB 3.43Å; K440-D450 HydrophobicContact CD-CB 4.02Å; K440-D450 HydrophobicContact CG-CB 4.34Å; K440-F451 CarbonylContact C-O 3.58Å; K440-F451 VanDerWaalsContact CA-O 3.31Å; K440-F451 WeakPolarHBondContact CA-O 3.45Å
441	P	82.7	Confident	86	Confident	69 Å²	69	75.4 Å²	75.4	45%	0.448	40%	0.397	S	S	.	.			trans	-69.7	-4.8	-171	-21.6	35.2	0	0	0	115.6
442	Y	86.8	Confident	86.1	Confident	80 Å²	80	74.7 Å²	74.7	31%	0.314	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	90.8	-172.6	-53.3	-72	0	0	0	110.4	K440 F451	K440-Y442 PolarHBondContact O-N 3.09Å; Y442-F451 WeakPolarHBondContact CB-O 3.45Å; Y442-F451 WeakPolarHBondContact CD2-O 3.41Å; Y442-F451 PolarHBondContact N-O 2.87Å; Y442-F451 VanDerWaalsContact N-O 3.08Å; Y442-F451 PolarHBondContact O-N 3.34Å
443	K	86.4	Confident	86	Confident	117 Å²	117	76.9 Å²	76.9	51%	0.509	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	145.4	177.7	-169.1	159.2	-165.6	166.1	0	112	G448 D450 L457	K443-G448 VanDerWaalsContact CE-O 3.25Å; K443-G448 WeakPolarHBondContact CE-O 3.49Å; K443-D450 WeakPolarHBondContact CB-OD1 3.33Å; K443-D450 VanDerWaalsContact CD-OD1 3.28Å; K443-D450 WeakPolarHBondContact CD-OD1 3.22Å; K443-D450 WeakPolarHBondContact CG-OD1 3.25Å; K443-L457 WeakPolarHBondContact O-CD1 3.18Å; K443-L457 VanDerWaalsContact O-CD2 3.23Å; K443-L457 WeakPolarHBondContact O-CD2 3.32Å
444	C	90.7	Very high	85.9	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	41%	0.414	C	S	.	.			trans	-94	119.4	166.5	170.6	0	0	0	0	109.2	D446 C447 G448 K449 F451 L457 H464	C444-D446 PolarHBondContact SG-OD2 3.37Å; C444-C447 VanDerWaalsContact SG-SG 3.61Å; C444-G448 WeakPolarHBondContact O-CA 3.39Å; C444-G448 PolarHBondContact O-N 3.5Å; C444-K449 WeakPolarHBondContact CB-O 3.2Å; C444-K449 PolarHBondContact N-O 3.44Å; C444-F451 HydrophobicContact CB-CE2 4.23Å; C444-L457 HydrophobicContact CB-CD1 3.53Å; C444-H464 PolarHBondContact SG-NE2 3.06Å
445	D	89.5	Confident	85.6	Confident	139 Å²	139	76.5 Å²	76.5	74%	0.743	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-37.5	-177.3	-52.1	-61	0	0	0	111.7	C447	D445-C447 VanDerWaalsContact C-N 3.27Å; D445-C447 PolarHBondContact O-N 2.68Å
446	D	87.8	Confident	85.7	Confident	104 Å²	104	74.4 Å²	74.4	56%	0.556	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.9	-175.8	-42.6	-68	0	0	0	114.5	C444 H464	C444-D446 PolarHBondContact SG-OD2 3.37Å; D446-H464 HydrophobicContact CB-CB 4.41Å; D446-H464 VanDerWaalsContact CB-CD2 3.5Å; D446-H464 WeakPolarHBondContact CB-CD2 3.19Å; D446-H464 IonicContact OD2-CD2 3.78Å; D446-H464 PolarHBondContact OD2-CD2 3.06Å; D446-H464 IonicContact OD2-CG 3.76Å
447	C	90.2	Very high	85.8	Confident	48 Å²	48	71.4 Å²	71.4	32%	0.324	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.2	12.2	-176.1	72.5	0	0	0	0	115	C444 D445 K449 H460 H464	C444-C447 VanDerWaalsContact SG-SG 3.61Å; D445-C447 VanDerWaalsContact C-N 3.27Å; D445-C447 PolarHBondContact O-N 2.68Å; C447-K449 PolarHBondContact O-N 3.38Å; C447-K449 VanDerWaalsContact O-N 3.15Å; C447-H460 PolarHBondContact SG-NE2 3.49Å; C447-H464 WeakPolarHBondContact CB-CE1 3.3Å; C447-H464 PolarHBondContact SG-CE1 3.44Å; C447-H464 PolarHBondContact SG-NE2 3.46Å
448	G	86.4	Confident	85.8	Confident	33 Å²	33	75 Å²	75	34%	0.34	40%	0.396	S	S	.	.			trans	67.2	7.5	176.5	0	0	0	0	0	116.8	K443 C444	K443-G448 VanDerWaalsContact CE-O 3.25Å; K443-G448 WeakPolarHBondContact CE-O 3.49Å; C444-G448 WeakPolarHBondContact O-CA 3.39Å; C444-G448 PolarHBondContact O-N 3.5Å
449	K	87.4	Confident	85.8	Confident	120 Å²	120	74.8 Å²	74.8	52%	0.522	38%	0.383	S	S	.	.			trans	-81.1	131.1	-175.5	-70.4	176.7	-173	167.6	0	112.6	C444 C447 F451	C444-K449 WeakPolarHBondContact CB-O 3.2Å; C444-K449 PolarHBondContact N-O 3.44Å; C447-K449 PolarHBondContact O-N 3.38Å; C447-K449 VanDerWaalsContact O-N 3.15Å; K449-F451 HydrophobicContact CB-CE2 3.96Å; K449-F451 HydrophobicContact CB-CZ 4.25Å; K449-F451 WeakPolarHBondContact O-CD2 3.46Å; K449-F451 VanDerWaalsContact O-CE2 3.25Å; K449-F451 WeakPolarHBondContact O-CE2 3.49Å
450	D	88.9	Confident	86.1	Confident	70 Å²	70	71 Å²	71	37%	0.374	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	143.8	-177.6	-41.6	-73.4	0	0	0	113.2	K440 K443	K440-D450 HydrophobicContact CB-CB 3.43Å; K440-D450 VanDerWaalsContact CB-CB 3.43Å; K440-D450 HydrophobicContact CD-CB 4.02Å; K440-D450 HydrophobicContact CG-CB 4.34Å; K443-D450 WeakPolarHBondContact CB-OD1 3.33Å; K443-D450 VanDerWaalsContact CD-OD1 3.28Å; K443-D450 WeakPolarHBondContact CD-OD1 3.22Å; K443-D450 WeakPolarHBondContact CG-OD1 3.25Å
451	F	85.5	Confident	86.2	Confident	46 Å²	46	68.3 Å²	68.3	20%	0.202	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145.4	-179.8	-60.7	-91.9	0	0	0	111.4	K440 Y442 C444 K449 H453 D456 L457 H460	K440-F451 CarbonylContact C-O 3.58Å; K440-F451 VanDerWaalsContact CA-O 3.31Å; K440-F451 WeakPolarHBondContact CA-O 3.45Å; Y442-F451 WeakPolarHBondContact CB-O 3.45Å; Y442-F451 WeakPolarHBondContact CD2-O 3.41Å; Y442-F451 PolarHBondContact N-O 2.87Å; Y442-F451 VanDerWaalsContact N-O 3.08Å; Y442-F451 PolarHBondContact O-N 3.34Å; C444-F451 HydrophobicContact CB-CE2 4.23Å; K449-F451 HydrophobicContact CB-CE2 3.96Å; K449-F451 HydrophobicContact CB-CZ 4.25Å; K449-F451 WeakPolarHBondContact O-CD2 3.46Å; K449-F451 VanDerWaalsContact O-CE2 3.25Å; K449-F451 WeakPolarHBondContact O-CE2 3.49Å; F451-H453 VanDerWaalsContact C-N 3.33Å; F451-D456 HydrophobicContact CD1-CB 3.97Å; F451-L457 HydrophobicContact CB-CB 4.28Å; F451-L457 HydrophobicContact CD2-CB 4.01Å; F451-L457 HydrophobicContact CD2-CD1 4.07Å; F451-L457 HydrophobicContact CE2-CD1 4.34Å; F451-L457 HydrophobicContact CG-CB 4.26Å; F451-H460 HydrophobicContact CE1-CB 3.96Å; F451-H460 HydrophobicContact CE2-CB 3.98Å; F451-H460 AromaticContact CE2-CD2 3.28Å; F451-H460 WeakPolarHBondContact CE2-CD2 3.46Å; F451-H460 AromaticContact CE2-CG 3.77Å; F451-H460 HydrophobicContact CZ-CB 3.5Å; F451-H460 AromaticContact CZ-CD2 3.27Å; F451-H460 WeakPolarHBondContact CZ-CD2 3.49Å; F451-H460 AromaticContact CZ-CG 3.31Å
452	S	81.9	Confident	86.6	Confident	42 Å²	42	67.2 Å²	67.2	29%	0.294	34%	0.342	S	S	.	.	S	Bend	trans	-80.5	-13.1	176.1	50.5	0	0	0	0	113.6	R434	R434-S452 PolarHBondContact NH1-O 2.84Å
453	H	80.3	Confident	86.8	Confident	69 Å²	69	68.1 Å²	68.1	32%	0.319	36%	0.356	S	S	.	.	S	Bend	trans	-130.2	134.8	176.8	-70.7	-129.3	0	0	0	111.5	I431 F451 S455 D456 L457	I431-H453 VanDerWaalsContact CG2-CE1 3.45Å; I431-H453 WeakPolarHBondContact CG2-CE1 3.32Å; I431-H453 WeakPolarHBondContact CG2-NE2 3.16Å; F451-H453 VanDerWaalsContact C-N 3.33Å; H453-S455 PolarHBondContact O-N 2.87Å; H453-D456 HydrophobicContact CB-CB 4.44Å; H453-D456 PolarHBondContact O-N 2.9Å; H453-D456 VanDerWaalsContact O-N 3.12Å; H453-L457 PolarHBondContact O-N 2.78Å
454	S	82.3	Confident	86.9	Confident	68 Å²	68	66.6 Å²	66.6	48%	0.476	35%	0.35	S	S	.	.	H	α-helix	trans	-64.1	-27.4	174.2	55.3	0	0	0	0	113.2	D456 R458	S454-D456 VanDerWaalsContact C-N 3.32Å; S454-D456 PolarHBondContact O-N 3.45Å; S454-R458 WeakPolarHBondContact O-CB 3.48Å; S454-R458 PolarHBondContact O-N 3.22Å
455	S	81.8	Confident	86.8	Confident	47 Å²	47	71 Å²	71	33%	0.329	38%	0.377	S	S	.	.	H	α-helix	trans	-63.2	-36.7	173.1	51.1	0	0	0	0	112.7	H453 I459	H453-S455 PolarHBondContact O-N 2.87Å; S455-I459 WeakPolarHBondContact O-CD1 3.27Å; S455-I459 VanDerWaalsContact O-CG1 3.23Å; S455-I459 WeakPolarHBondContact O-CG1 3.29Å; S455-I459 PolarHBondContact O-N 3.32Å
456	D	86.3	Confident	86.7	Confident	60 Å²	60	66.4 Å²	66.4	32%	0.321	36%	0.362	S	S	.	.	H	α-helix	trans	-80.4	-35.9	-179.5	-73.2	-60.9	0	0	0	111.8	F451 H453 S454 I459 H460 K481	F451-D456 HydrophobicContact CD1-CB 3.97Å; H453-D456 HydrophobicContact CB-CB 4.44Å; H453-D456 PolarHBondContact O-N 2.9Å; H453-D456 VanDerWaalsContact O-N 3.12Å; S454-D456 VanDerWaalsContact C-N 3.32Å; S454-D456 PolarHBondContact O-N 3.45Å; D456-I459 PolarHBondContact O-N 3.12Å; D456-H460 VanDerWaalsContact O-CB 3.31Å; D456-H460 WeakPolarHBondContact O-CB 3.43Å; D456-H460 PolarHBondContact O-N 3.33Å; D456-K481 IonicContact OD1-NZ 3.54Å
457	L	88.4	Confident	86.8	Confident	24 Å²	24	65.8 Å²	65.8	13%	0.126	36%	0.356	C	S	.	.	H	α-helix	trans	-54	-52.4	166	170.3	59.7	0	0	0	111	K443 C444 F451 H453 I459 H460 Q461	K443-L457 WeakPolarHBondContact O-CD1 3.18Å; K443-L457 VanDerWaalsContact O-CD2 3.23Å; K443-L457 WeakPolarHBondContact O-CD2 3.32Å; C444-L457 HydrophobicContact CB-CD1 3.53Å; F451-L457 HydrophobicContact CB-CB 4.28Å; F451-L457 HydrophobicContact CD2-CB 4.01Å; F451-L457 HydrophobicContact CD2-CD1 4.07Å; F451-L457 HydrophobicContact CE2-CD1 4.34Å; F451-L457 HydrophobicContact CG-CB 4.26Å; H453-L457 PolarHBondContact O-N 2.78Å; L457-I459 VanDerWaalsContact C-N 3.27Å; L457-I459 PolarHBondContact O-N 3.14Å; L457-H460 CarbonylContact O-C 3.3Å; L457-H460 WeakPolarHBondContact O-CA 3.46Å; L457-H460 WeakPolarHBondContact O-CB 3.28Å; L457-H460 PolarHBondContact O-N 2.92Å; L457-Q461 HydrophobicContact CD1-CG 4.15Å; L457-Q461 PolarHBondContact O-N 3.24Å
458	R	84.4	Confident	86.9	Confident	166 Å²	166	69.3 Å²	69.3	63%	0.626	37%	0.366	S	S	*	.	H	α-helix	trans	-61.3	-33	-179	-172.9	179.1	62.7	177.3	-1.4	113.3	S454	S454-R458 WeakPolarHBondContact O-CB 3.48Å; S454-R458 PolarHBondContact O-N 3.22Å
459	I	85.9	Confident	87	Confident	40 Å²	40	71 Å²	71	21%	0.205	37%	0.371	C	S	.	.	H	α-helix	trans	-81.8	-24.2	175.1	-55.5	159.2	0	0	0	111.5	S455 D456 L457 R462 K481	S455-I459 WeakPolarHBondContact O-CD1 3.27Å; S455-I459 VanDerWaalsContact O-CG1 3.23Å; S455-I459 WeakPolarHBondContact O-CG1 3.29Å; S455-I459 PolarHBondContact O-N 3.32Å; D456-I459 PolarHBondContact O-N 3.12Å; L457-I459 VanDerWaalsContact C-N 3.27Å; L457-I459 PolarHBondContact O-N 3.14Å; I459-R462 WeakPolarHBondContact O-CB 3.11Å; I459-K481 HydrophobicContact CG2-CD 4.07Å; I459-K481 HydrophobicContact CG2-CG 3.6Å
460	H	89.8	Confident	87.3	Confident	25 Å²	25	69.3 Å²	69.3	12%	0.116	36%	0.362	C	S	.	.	H	α-helix	trans	-71.5	-37.6	172	173.3	48.4	0	0	0	112.5	C447 F451 D456 L457 R462 V463 H464	C447-H460 PolarHBondContact SG-NE2 3.49Å; F451-H460 HydrophobicContact CE1-CB 3.96Å; F451-H460 HydrophobicContact CE2-CB 3.98Å; F451-H460 AromaticContact CE2-CD2 3.28Å; F451-H460 WeakPolarHBondContact CE2-CD2 3.46Å; F451-H460 AromaticContact CE2-CG 3.77Å; F451-H460 HydrophobicContact CZ-CB 3.5Å; F451-H460 AromaticContact CZ-CD2 3.27Å; F451-H460 WeakPolarHBondContact CZ-CD2 3.49Å; F451-H460 AromaticContact CZ-CG 3.31Å; D456-H460 VanDerWaalsContact O-CB 3.31Å; D456-H460 WeakPolarHBondContact O-CB 3.43Å; D456-H460 PolarHBondContact O-N 3.33Å; L457-H460 CarbonylContact O-C 3.3Å; L457-H460 WeakPolarHBondContact O-CA 3.46Å; L457-H460 WeakPolarHBondContact O-CB 3.28Å; L457-H460 PolarHBondContact O-N 2.92Å; H460-R462 PolarHBondContact O-N 3.38Å; H460-R462 VanDerWaalsContact O-N 3.09Å; H460-V463 WeakPolarHBondContact O-CB 3.32Å; H460-V463 VanDerWaalsContact O-CG2 3.3Å; H460-V463 WeakPolarHBondContact O-CG2 3.29Å; H460-V463 PolarHBondContact O-N 2.86Å; H460-H464 AromaticContact CD2-NE2 3.27Å; H460-H464 PolarHBondContact CD2-NE2 2.84Å; H460-H464 VanDerWaalsContact CD2-NE2 3.27Å; H460-H464 AromaticContact CE1-CE1 3.81Å; H460-H464 AromaticContact CE1-NE2 3.1Å; H460-H464 PolarHBondContact CE1-NE2 3.14Å; H460-H464 AromaticContact NE2-CE1 3.92Å; H460-H464 AromaticContact NE2-NE2 2.5Å; H460-H464 PolarHBondContact NE2-NE2 2.91Å
461	Q	87.4	Confident	87.5	Confident	67 Å²	67	69.4 Å²	69.4	31%	0.313	37%	0.366	S	S	.	.	H	α-helix	trans	-55.2	-29.2	176	-74.1	171.3	-53.5	0	0	112.7	L457 V463 H464 T465	L457-Q461 HydrophobicContact CD1-CG 4.15Å; L457-Q461 PolarHBondContact O-N 3.24Å; Q461-V463 PolarHBondContact O-N 3.42Å; Q461-V463 VanDerWaalsContact O-N 3.13Å; Q461-H464 PolarHBondContact O-N 3.15Å; Q461-T465 PolarHBondContact O-N 2.78Å; Q461-T465 VanDerWaalsContact O-N 3.08Å
462	R	90.6	Very high	87.9	Confident	47 Å²	47	67.2 Å²	67.2	18%	0.177	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-13.3	171.4	-60.1	-170.7	164.9	150.5	3.6	115.5	I459 H460 G466 E467 S480	I459-R462 WeakPolarHBondContact O-CB 3.11Å; H460-R462 PolarHBondContact O-N 3.38Å; H460-R462 VanDerWaalsContact O-N 3.09Å; R462-G466 CarbonylContact O-C 3.59Å; R462-G466 WeakPolarHBondContact O-CA 3.49Å; R462-G466 PolarHBondContact O-N 3.12Å; R462-G466 VanDerWaalsContact O-N 3.16Å; R462-E467 HydrophobicContact CB-CB 3.83Å; R462-E467 HydrophobicContact CG-CB 3.69Å; R462-E467 IonicContact CZ-OE2 3.23Å; R462-E467 IonicContact NE-OE2 3.97Å; R462-E467 PolarHBondContact NE-OE2 3.26Å; R462-E467 IonicContact NH2-OE2 3.47Å; R462-E467 PolarHBondContact O-N 3.15Å; R462-S480 PolarHBondContact NH1-O 3.18Å; R462-S480 VanDerWaalsContact NH1-O 3.13Å
463	V	90.3	Very high	88.4	Confident	98 Å²	98	70.6 Å²	70.6	59%	0.594	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-32	171.4	-179.1	0	0	0	0	110.4	H460 Q461	H460-V463 WeakPolarHBondContact O-CB 3.32Å; H460-V463 VanDerWaalsContact O-CG2 3.3Å; H460-V463 WeakPolarHBondContact O-CG2 3.29Å; H460-V463 PolarHBondContact O-N 2.86Å; Q461-V463 PolarHBondContact O-N 3.42Å; Q461-V463 VanDerWaalsContact O-N 3.13Å
464	H	88.8	Confident	88.9	Confident	85 Å²	85	72 Å²	72	39%	0.394	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-43.2	179.5	-50.3	-53.9	0	0	0	111.6	C444 D446 C447 H460 Q461 G466	C444-H464 PolarHBondContact SG-NE2 3.06Å; D446-H464 HydrophobicContact CB-CB 4.41Å; D446-H464 VanDerWaalsContact CB-CD2 3.5Å; D446-H464 WeakPolarHBondContact CB-CD2 3.19Å; D446-H464 IonicContact OD2-CD2 3.78Å; D446-H464 PolarHBondContact OD2-CD2 3.06Å; D446-H464 IonicContact OD2-CG 3.76Å; C447-H464 WeakPolarHBondContact CB-CE1 3.3Å; C447-H464 PolarHBondContact SG-CE1 3.44Å; C447-H464 PolarHBondContact SG-NE2 3.46Å; H460-H464 AromaticContact CD2-NE2 3.27Å; H460-H464 PolarHBondContact CD2-NE2 2.84Å; H460-H464 VanDerWaalsContact CD2-NE2 3.27Å; H460-H464 AromaticContact CE1-CE1 3.81Å; H460-H464 AromaticContact CE1-NE2 3.1Å; H460-H464 PolarHBondContact CE1-NE2 3.14Å; H460-H464 AromaticContact NE2-CE1 3.92Å; H460-H464 AromaticContact NE2-NE2 2.5Å; H460-H464 PolarHBondContact NE2-NE2 2.91Å; Q461-H464 PolarHBondContact O-N 3.15Å; H464-G466 PolarHBondContact O-N 3.06Å
465	T	88.1	Confident	89.4	Confident	93 Å²	93	71 Å²	71	57%	0.571	38%	0.376	S	S	*	.	S	Bend	trans	-75.8	-9.6	174.7	67.7	0	0	0	0	113.8	Q461 E467	Q461-T465 PolarHBondContact O-N 2.78Å; Q461-T465 VanDerWaalsContact O-N 3.08Å; T465-E467 PolarHBondContact O-N 3.46Å; T465-E467 VanDerWaalsContact O-N 3.17Å; T465-E467 WeakPolarHBondContact OG1-CB 3.22Å
466	G	88.7	Confident	89.8	Confident	42 Å²	42	71.1 Å²	71.1	43%	0.433	39%	0.385	S	S	.	.			trans	71.5	-1.6	-175.6	0	0	0	0	0	115.3	R462 H464 K468	R462-G466 CarbonylContact O-C 3.59Å; R462-G466 WeakPolarHBondContact O-CA 3.49Å; R462-G466 PolarHBondContact O-N 3.12Å; R462-G466 VanDerWaalsContact O-N 3.16Å; H464-G466 PolarHBondContact O-N 3.06Å; G466-K468 WeakPolarHBondContact O-CG 3.47Å; G466-K468 PolarHBondContact O-N 3.33Å
467	E	89.6	Confident	90.1	Very high	91 Å²	91	74 Å²	74	43%	0.425	39%	0.394	S	S	.	.			trans	-49.1	124.7	-175.9	-100.5	-178.4	-125.8	0	0	114	R462 T465 S480	R462-E467 HydrophobicContact CB-CB 3.83Å; R462-E467 HydrophobicContact CG-CB 3.69Å; R462-E467 IonicContact CZ-OE2 3.23Å; R462-E467 IonicContact NE-OE2 3.97Å; R462-E467 PolarHBondContact NE-OE2 3.26Å; R462-E467 IonicContact NH2-OE2 3.47Å; R462-E467 PolarHBondContact O-N 3.15Å; T465-E467 PolarHBondContact O-N 3.46Å; T465-E467 VanDerWaalsContact O-N 3.17Å; T465-E467 WeakPolarHBondContact OG1-CB 3.22Å; E467-S480 WeakPolarHBondContact O-CB 3.47Å
468	K	91.9	Very high	90.3	Very high	123 Å²	123	75 Å²	75	54%	0.535	40%	0.404	S	S	.	.			trans	-132	73	175.1	-69.5	158.5	-168.5	167.5	0	111.2	G466 Y470 S478 F479	G466-K468 WeakPolarHBondContact O-CG 3.47Å; G466-K468 PolarHBondContact O-N 3.33Å; K468-Y470 PolarHBondContact O-N 3.34Å; K468-S478 VanDerWaalsContact CB-CB 3.45Å; K468-S478 WeakPolarHBondContact O-CB 3.48Å; K468-F479 CarbonylContact C-O 3.5Å; K468-F479 VanDerWaalsContact CA-O 3.3Å; K468-F479 WeakPolarHBondContact CA-O 3.33Å
469	P	89.2	Confident	90.7	Very high	69 Å²	69	69.5 Å²	69.5	45%	0.448	38%	0.384	S	S	.	.			trans	-69.4	-1.7	-171.1	-22	36.3	0	0	0	115.9
470	Y	93.4	Very high	90.8	Very high	83 Å²	83	69.6 Å²	69.6	33%	0.325	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	86.6	-175.5	-52.1	-70.8	0	0	0	110.2	K468 S478 F479 S482	K468-Y470 PolarHBondContact O-N 3.34Å; Y470-S478 CarbonylContact O-C 3.53Å; Y470-S478 WeakPolarHBondContact O-CA 3.42Å; Y470-F479 WeakPolarHBondContact CD2-O 3.48Å; Y470-F479 PolarHBondContact N-O 3.36Å; Y470-F479 VanDerWaalsContact N-O 3.13Å; Y470-F479 PolarHBondContact O-N 3.38Å; Y470-S482 VanDerWaalsContact CE2-N 3.3Å
471	T	93.2	Very high	90.8	Very high	73 Å²	73	72.1 Å²	72.1	45%	0.448	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	137.8	178.8	-60.3	0	0	0	0	111.9	S478	T471-S478 PolarHBondContact OG1-OG 3.18Å
472	C	94.4	Very high	90.9	Very high	0 Å²	0	72 Å²	72	0%	0	41%	0.406	C	S	.	.			trans	-79.9	119.5	171.3	-172.6	0	0	0	0	110	E474 G476 K477 L485	C472-E474 PolarHBondContact O-N 2.86Å; C472-G476 WeakPolarHBondContact O-CA 3.14Å; C472-G476 PolarHBondContact O-N 3.02Å; C472-K477 VanDerWaalsContact CB-O 3.31Å; C472-K477 WeakPolarHBondContact CB-O 3.44Å; C472-K477 PolarHBondContact N-O 3.34Å; C472-L485 HydrophobicContact CB-CD1 3.55Å
473	P	91.2	Very high	90.9	Very high	113 Å²	113	73.4 Å²	73.4	73%	0.734	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-29.1	-179.8	26.3	-33.1	0	0	0	112.3	C475	P473-C475 PolarHBondContact O-N 3.3Å
474	E	91.4	Very high	90.9	Very high	97 Å²	97	74 Å²	74	45%	0.453	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.6	-173.9	-60.1	166.3	-96.1	0	0	114.2	C472 H492	C472-E474 PolarHBondContact O-N 2.86Å; E474-H492 WeakPolarHBondContact OE2-CB 3.35Å; E474-H492 IonicContact OE2-CG 3.92Å
475	C	92.6	Very high	91.1	Very high	47 Å²	47	71 Å²	71	32%	0.318	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.7	17.6	176.9	66.8	0	0	0	0	116	P473 K477 H488 H492	P473-C475 PolarHBondContact O-N 3.3Å; C475-K477 PolarHBondContact O-N 3.43Å; C475-H488 PolarHBondContact SG-NE2 3.07Å; C475-H488 VanDerWaalsContact SG-NE2 3.39Å; C475-H492 VanDerWaalsContact SG-CE1 3.56Å; C475-H492 PolarHBondContact SG-NE2 3.49Å
476	G	90.8	Very high	91.3	Very high	50 Å²	50	70.9 Å²	70.9	52%	0.515	40%	0.397	S	S	.	.			trans	66	1.2	177.5	0	0	0	0	0	116.1	C472 S478	C472-G476 WeakPolarHBondContact O-CA 3.14Å; C472-G476 PolarHBondContact O-N 3.02Å; G476-S478 PolarHBondContact O-N 3.34Å; G476-S478 PolarHBondContact O-OG 3.24Å
477	K	92.8	Very high	91.4	Very high	121 Å²	121	70.6 Å²	70.6	53%	0.526	39%	0.386	S	S	.	.			trans	-75.4	121.4	-175.5	-71.1	174	-168	155.3	0	111.6	C472 C475 F479	C472-K477 VanDerWaalsContact CB-O 3.31Å; C472-K477 WeakPolarHBondContact CB-O 3.44Å; C472-K477 PolarHBondContact N-O 3.34Å; C475-K477 PolarHBondContact O-N 3.43Å; K477-F479 HydrophobicContact CB-CE2 4.03Å; K477-F479 HydrophobicContact CB-CZ 4.26Å; K477-F479 WeakPolarHBondContact O-CD2 3.5Å; K477-F479 WeakPolarHBondContact O-CE2 3.49Å
478	S	92.9	Very high	91.6	Very high	46 Å²	46	67.5 Å²	67.5	32%	0.322	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	144.3	-177.2	-43.9	0	0	0	0	113.9	K468 Y470 T471 G476	K468-S478 VanDerWaalsContact CB-CB 3.45Å; K468-S478 WeakPolarHBondContact O-CB 3.48Å; Y470-S478 CarbonylContact O-C 3.53Å; Y470-S478 WeakPolarHBondContact O-CA 3.42Å; T471-S478 PolarHBondContact OG1-OG 3.18Å; G476-S478 PolarHBondContact O-N 3.34Å; G476-S478 PolarHBondContact O-OG 3.24Å
479	F	91.2	Very high	91.6	Very high	50 Å²	50	64.5 Å²	64.5	22%	0.219	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.1	-177.7	-59.2	-91.6	0	0	0	111.8	K468 Y470 K477 K484 L485 H488	K468-F479 CarbonylContact C-O 3.5Å; K468-F479 VanDerWaalsContact CA-O 3.3Å; K468-F479 WeakPolarHBondContact CA-O 3.33Å; Y470-F479 WeakPolarHBondContact CD2-O 3.48Å; Y470-F479 PolarHBondContact N-O 3.36Å; Y470-F479 VanDerWaalsContact N-O 3.13Å; Y470-F479 PolarHBondContact O-N 3.38Å; K477-F479 HydrophobicContact CB-CE2 4.03Å; K477-F479 HydrophobicContact CB-CZ 4.26Å; K477-F479 WeakPolarHBondContact O-CD2 3.5Å; K477-F479 WeakPolarHBondContact O-CE2 3.49Å; F479-K484 HydrophobicContact CB-CB 4.27Å; F479-K484 HydrophobicContact CD1-CB 3.92Å; F479-K484 HydrophobicContact CG-CB 4.31Å; F479-L485 HydrophobicContact CB-CB 4.45Å; F479-L485 HydrophobicContact CD2-CB 3.93Å; F479-L485 HydrophobicContact CD2-CD1 4.12Å; F479-L485 HydrophobicContact CE2-CD1 4.27Å; F479-L485 HydrophobicContact CG-CB 4.37Å; F479-H488 HydrophobicContact CE1-CB 4.24Å; F479-H488 HydrophobicContact CE2-CB 4.03Å; F479-H488 AromaticContact CE2-CD2 3.26Å; F479-H488 WeakPolarHBondContact CE2-CD2 3.28Å; F479-H488 AromaticContact CE2-CG 3.82Å; F479-H488 HydrophobicContact CZ-CB 3.65Å; F479-H488 AromaticContact CZ-CD2 3.29Å; F479-H488 WeakPolarHBondContact CZ-CD2 3.44Å; F479-H488 AromaticContact CZ-CG 3.43Å; F479-H488 VanDerWaalsContact CZ-CG 3.43Å
480	S	88.5	Confident	91.7	Very high	41 Å²	41	63 Å²	63	29%	0.287	35%	0.345	S	S	.	.	S	Bend	trans	-82.8	-11.9	176.6	58.2	0	0	0	0	114.4	R462 E467	R462-S480 PolarHBondContact NH1-O 3.18Å; R462-S480 VanDerWaalsContact NH1-O 3.13Å; E467-S480 WeakPolarHBondContact O-CB 3.47Å
481	K	89.1	Confident	91.7	Very high	79 Å²	79	63.8 Å²	63.8	34%	0.343	36%	0.359	S	S	.	.	S	Bend	trans	-130.4	127.5	176	-71.6	-173	178.4	-166.4	0	110.9	D456 I459 S483 K484 L485	D456-K481 IonicContact OD1-NZ 3.54Å; I459-K481 HydrophobicContact CG2-CD 4.07Å; I459-K481 HydrophobicContact CG2-CG 3.6Å; K481-S483 VanDerWaalsContact C-N 3.27Å; K481-S483 PolarHBondContact O-N 2.7Å; K481-K484 HydrophobicContact CB-CB 4.46Å; K481-K484 HydrophobicContact CB-CG 4.19Å; K481-K484 WeakPolarHBondContact O-CA 3.24Å; K481-K484 WeakPolarHBondContact O-CB 3.25Å; K481-K484 PolarHBondContact O-N 2.94Å; K481-L485 PolarHBondContact O-N 3.39Å
482	S	90.5	Very high	91.6	Very high	65 Å²	65	63.9 Å²	63.9	46%	0.455	35%	0.354	S	S	.	.	H	α-helix	trans	-54.6	-39.7	176.7	163.4	0	0	0	0	112.7	Y470 K484 L485 H486	Y470-S482 VanDerWaalsContact CE2-N 3.3Å; S482-K484 PolarHBondContact O-N 3.2Å; S482-L485 WeakPolarHBondContact O-CB 3.25Å; S482-L485 PolarHBondContact O-N 3.21Å; S482-L485 VanDerWaalsContact O-N 3.11Å; S482-H486 PolarHBondContact O-N 2.85Å
483	S	89.5	Confident	91.3	Very high	76 Å²	76	67.9 Å²	67.9	53%	0.531	38%	0.378	S	S	.	.	H	α-helix	trans	-62.1	-24.9	176	55.5	0	0	0	0	113.7	K481 T487	K481-S483 VanDerWaalsContact C-N 3.27Å; K481-S483 PolarHBondContact O-N 2.7Å; S483-T487 WeakPolarHBondContact O-CG2 3.4Å; S483-T487 PolarHBondContact O-N 3.4Å; S483-T487 VanDerWaalsContact O-N 3.15Å; S483-T487 PolarHBondContact O-OG1 2.85Å
484	K	91.8	Very high	91.3	Very high	109 Å²	109	64.4 Å²	64.4	47%	0.474	36%	0.363	S	S	.	.	H	α-helix	trans	-77.6	-39.6	173.3	-69.2	-61.2	-171.8	-179.4	0	112.2	F479 K481 S482 T487 H488	F479-K484 HydrophobicContact CB-CB 4.27Å; F479-K484 HydrophobicContact CD1-CB 3.92Å; F479-K484 HydrophobicContact CG-CB 4.31Å; K481-K484 HydrophobicContact CB-CB 4.46Å; K481-K484 HydrophobicContact CB-CG 4.19Å; K481-K484 WeakPolarHBondContact O-CA 3.24Å; K481-K484 WeakPolarHBondContact O-CB 3.25Å; K481-K484 PolarHBondContact O-N 2.94Å; S482-K484 PolarHBondContact O-N 3.2Å; K484-T487 WeakPolarHBondContact CA-OG1 3.34Å; K484-T487 PolarHBondContact O-N 3.38Å; K484-T487 PolarHBondContact O-OG1 3.26Å; K484-H488 WeakPolarHBondContact O-CB 3.37Å; K484-H488 PolarHBondContact O-N 2.96Å
485	L	93.5	Very high	91.3	Very high	22 Å²	22	64.1 Å²	64.1	12%	0.115	36%	0.362	C	S	.	.	H	α-helix	trans	-56.8	-50.3	168.8	170.6	59.5	0	0	0	110.8	C472 F479 K481 S482 T487 H488 Q489	C472-L485 HydrophobicContact CB-CD1 3.55Å; F479-L485 HydrophobicContact CB-CB 4.45Å; F479-L485 HydrophobicContact CD2-CB 3.93Å; F479-L485 HydrophobicContact CD2-CD1 4.12Å; F479-L485 HydrophobicContact CE2-CD1 4.27Å; F479-L485 HydrophobicContact CG-CB 4.37Å; K481-L485 PolarHBondContact O-N 3.39Å; S482-L485 WeakPolarHBondContact O-CB 3.25Å; S482-L485 PolarHBondContact O-N 3.21Å; S482-L485 VanDerWaalsContact O-N 3.11Å; L485-T487 VanDerWaalsContact C-N 3.35Å; L485-T487 PolarHBondContact O-N 2.79Å; L485-H488 CarbonylContact O-C 3.3Å; L485-H488 WeakPolarHBondContact O-CA 3.37Å; L485-H488 WeakPolarHBondContact O-CB 3.21Å; L485-H488 PolarHBondContact O-N 3.02Å; L485-Q489 HydrophobicContact CD1-CG 4.09Å; L485-Q489 PolarHBondContact O-N 3.06Å
486	H	90.9	Very high	91.3	Very high	92 Å²	92	68 Å²	68	43%	0.426	37%	0.373	S	S	.	.	H	α-helix	trans	-61.3	-39.2	179.3	-178.1	62.6	0	0	0	113	S482 H488 R490	S482-H486 PolarHBondContact O-N 2.85Å; H486-H488 PolarHBondContact O-N 3.33Å; H486-R490 PolarHBondContact NE2-NH2 3.39Å
487	T	91.9	Very high	91.3	Very high	35 Å²	35	69 Å²	69	22%	0.215	37%	0.37	C	S	.	.	H	α-helix	trans	-69.5	-17.9	172	54.6	0	0	0	0	114.2	S483 K484 L485	S483-T487 WeakPolarHBondContact O-CG2 3.4Å; S483-T487 PolarHBondContact O-N 3.4Å; S483-T487 VanDerWaalsContact O-N 3.15Å; S483-T487 PolarHBondContact O-OG1 2.85Å; K484-T487 WeakPolarHBondContact CA-OG1 3.34Å; K484-T487 PolarHBondContact O-N 3.38Å; K484-T487 PolarHBondContact O-OG1 3.26Å; L485-T487 VanDerWaalsContact C-N 3.35Å; L485-T487 PolarHBondContact O-N 2.79Å
488	H	92.9	Very high	91.4	Very high	26 Å²	26	67 Å²	67	12%	0.12	36%	0.36	C	S	.	.	H	α-helix	trans	-86.6	-36.3	177.5	171	46.5	0	0	0	112.6	C475 F479 K484 L485 H486 R490 V491 H492	C475-H488 PolarHBondContact SG-NE2 3.07Å; C475-H488 VanDerWaalsContact SG-NE2 3.39Å; F479-H488 HydrophobicContact CE1-CB 4.24Å; F479-H488 HydrophobicContact CE2-CB 4.03Å; F479-H488 AromaticContact CE2-CD2 3.26Å; F479-H488 WeakPolarHBondContact CE2-CD2 3.28Å; F479-H488 AromaticContact CE2-CG 3.82Å; F479-H488 HydrophobicContact CZ-CB 3.65Å; F479-H488 AromaticContact CZ-CD2 3.29Å; F479-H488 WeakPolarHBondContact CZ-CD2 3.44Å; F479-H488 AromaticContact CZ-CG 3.43Å; F479-H488 VanDerWaalsContact CZ-CG 3.43Å; K484-H488 WeakPolarHBondContact O-CB 3.37Å; K484-H488 PolarHBondContact O-N 2.96Å; L485-H488 CarbonylContact O-C 3.3Å; L485-H488 WeakPolarHBondContact O-CA 3.37Å; L485-H488 WeakPolarHBondContact O-CB 3.21Å; L485-H488 PolarHBondContact O-N 3.02Å; H486-H488 PolarHBondContact O-N 3.33Å; H488-R490 PolarHBondContact O-N 2.89Å; H488-R490 VanDerWaalsContact O-N 3.12Å; H488-V491 WeakPolarHBondContact O-CB 3.36Å; H488-V491 VanDerWaalsContact O-CG2 3.29Å; H488-V491 WeakPolarHBondContact O-CG2 3.48Å; H488-V491 PolarHBondContact O-N 3.25Å; H488-H492 AromaticContact CE1-NE2 3.6Å; H488-H492 AromaticContact NE2-NE2 3.61Å
489	Q	91.7	Very high	91.5	Very high	61 Å²	61	71.3 Å²	71.3	29%	0.285	37%	0.373	S	S	.	.	H	α-helix	trans	-54.6	-32	175.5	-69.9	174.9	-74.1	0	0	112.3	L485 V491 H492 T493	L485-Q489 HydrophobicContact CD1-CG 4.09Å; L485-Q489 PolarHBondContact O-N 3.06Å; Q489-V491 PolarHBondContact O-N 3.03Å; Q489-H492 WeakPolarHBondContact O-CB 3.15Å; Q489-H492 PolarHBondContact O-N 3.24Å; Q489-T493 PolarHBondContact O-N 2.92Å; Q489-T493 VanDerWaalsContact O-N 3.14Å
490	R	92.6	Very high	91.6	Very high	36 Å²	36	69 Å²	69	14%	0.136	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-12.7	172	-58.6	-173.1	-177.2	171.2	1.6	115.5	H486 H488 G494 E495 S508	H486-R490 PolarHBondContact NE2-NH2 3.39Å; H488-R490 PolarHBondContact O-N 2.89Å; H488-R490 VanDerWaalsContact O-N 3.12Å; R490-G494 CarbonylContact O-C 3.28Å; R490-G494 WeakPolarHBondContact O-CA 3.47Å; R490-G494 PolarHBondContact O-N 3.37Å; R490-E495 HydrophobicContact CB-CB 3.94Å; R490-E495 HydrophobicContact CG-CB 3.86Å; R490-E495 IonicContact NE-OE2 3.05Å; R490-E495 PolarHBondContact O-N 3.45Å; R490-S508 PolarHBondContact NH1-O 3.35Å; R490-S508 VanDerWaalsContact NH1-O 3.1Å
491	V	92	Very high	91.8	Very high	101 Å²	101	75.1 Å²	75.1	61%	0.612	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-31.3	171.4	-179.5	0	0	0	0	110.7	H488 Q489	H488-V491 WeakPolarHBondContact O-CB 3.36Å; H488-V491 VanDerWaalsContact O-CG2 3.29Å; H488-V491 WeakPolarHBondContact O-CG2 3.48Å; H488-V491 PolarHBondContact O-N 3.25Å; Q489-V491 PolarHBondContact O-N 3.03Å
492	H	90.6	Very high	91.9	Very high	74 Å²	74	76.7 Å²	76.7	34%	0.343	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-49.2	178.2	-61	-86	0	0	0	111.5	E474 C475 H488 Q489 G494	E474-H492 WeakPolarHBondContact OE2-CB 3.35Å; E474-H492 IonicContact OE2-CG 3.92Å; C475-H492 VanDerWaalsContact SG-CE1 3.56Å; C475-H492 PolarHBondContact SG-NE2 3.49Å; H488-H492 AromaticContact CE1-NE2 3.6Å; H488-H492 AromaticContact NE2-NE2 3.61Å; Q489-H492 WeakPolarHBondContact O-CB 3.15Å; Q489-H492 PolarHBondContact O-N 3.24Å; H492-G494 PolarHBondContact O-N 2.9Å
493	T	90	Very high	92	Very high	84 Å²	84	76.5 Å²	76.5	52%	0.515	39%	0.394	S	S	.	.	S	Bend	trans	-71.3	-8.3	176.7	66.8	0	0	0	0	113.8	Q489 E495	Q489-T493 PolarHBondContact O-N 2.92Å; Q489-T493 VanDerWaalsContact O-N 3.14Å; T493-E495 PolarHBondContact O-N 3.27Å; T493-E495 VanDerWaalsContact O-N 3.14Å; T493-E495 WeakPolarHBondContact OG1-CB 3.36Å; T493-E495 WeakPolarHBondContact OG1-CG 3.4Å; T493-E495 PolarHBondContact OG1-N 3.07Å
494	G	89.7	Confident	92.1	Very high	40 Å²	40	75.4 Å²	75.4	41%	0.412	40%	0.395	S	S	.	.			trans	68.8	2.9	-175.6	0	0	0	0	0	114.9	R490 H492 K496	R490-G494 CarbonylContact O-C 3.28Å; R490-G494 WeakPolarHBondContact O-CA 3.47Å; R490-G494 PolarHBondContact O-N 3.37Å; H492-G494 PolarHBondContact O-N 2.9Å; G494-K496 PolarHBondContact O-N 3.46Å
495	E	91	Very high	92.1	Very high	92 Å²	92	76 Å²	76	43%	0.43	40%	0.397	S	S	.	.			trans	-52.6	125.1	-173.4	-94.9	-179.1	-146.3	0	0	113.6	R490 T493 S508	R490-E495 HydrophobicContact CB-CB 3.94Å; R490-E495 HydrophobicContact CG-CB 3.86Å; R490-E495 IonicContact NE-OE2 3.05Å; R490-E495 PolarHBondContact O-N 3.45Å; T493-E495 PolarHBondContact O-N 3.27Å; T493-E495 VanDerWaalsContact O-N 3.14Å; T493-E495 WeakPolarHBondContact OG1-CB 3.36Å; T493-E495 WeakPolarHBondContact OG1-CG 3.4Å; T493-E495 PolarHBondContact OG1-N 3.07Å; E495-S508 WeakPolarHBondContact O-CB 3.48Å
496	K	92.9	Very high	92.1	Very high	128 Å²	128	76.1 Å²	76.1	56%	0.557	40%	0.403	S	S	*	.			trans	-127.9	71.6	176.7	-74.4	157.2	-177.4	166	0	110.9	G494 Y498 G506 F507	G494-K496 PolarHBondContact O-N 3.46Å; K496-Y498 PolarHBondContact O-N 2.87Å; K496-Y498 VanDerWaalsContact O-N 3.17Å; K496-G506 WeakPolarHBondContact CD-O 3.26Å; K496-F507 CarbonylContact C-O 3.41Å; K496-F507 VanDerWaalsContact C-O 3.29Å; K496-F507 VanDerWaalsContact CA-O 3.31Å; K496-F507 WeakPolarHBondContact CA-O 3.35Å
497	P	91.7	Very high	92.1	Very high	70 Å²	70	73.4 Å²	73.4	46%	0.455	39%	0.391	S	S	.	.			trans	-68.6	-13.7	-173.2	-20.4	35.1	0	0	0	114.4
498	Y	94.9	Very high	92.1	Very high	81 Å²	81	73.1 Å²	73.1	32%	0.318	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	97.6	-178.3	-50.2	-73	0	0	0	109.1	K496 F507 R510	K496-Y498 PolarHBondContact O-N 2.87Å; K496-Y498 VanDerWaalsContact O-N 3.17Å; Y498-F507 WeakPolarHBondContact CD2-O 3.44Å; Y498-F507 PolarHBondContact N-O 3.05Å; Y498-F507 VanDerWaalsContact N-O 3.14Å; Y498-F507 PolarHBondContact O-N 2.98Å; Y498-R510 HydrophobicContact CD1-CB 3.84Å; Y498-R510 HydrophobicContact CD1-CG 4.25Å; Y498-R510 HydrophobicContact CD2-CB 4.29Å; Y498-R510 HydrophobicContact CE1-CB 3.82Å; Y498-R510 HydrophobicContact CE1-CG 4.43Å; Y498-R510 HydrophobicContact CE2-CB 4.25Å; Y498-R510 HydrophobicContact CG-CB 4.08Å
499	K	93.8	Very high	92	Very high	135 Å²	135	74.4 Å²	74.4	59%	0.587	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	152.1	175.5	-62.2	-177.2	-177.1	179.5	0	110.6	K505 L513	K499-K505 CarbonylContact C-O 3.41Å; K499-L513 WeakPolarHBondContact O-CD1 3.39Å; K499-L513 WeakPolarHBondContact O-CD2 3.33Å
500	C	94.3	Very high	92.1	Very high	1 Å²	1	79.2 Å²	79.2	1%	0.007	41%	0.412	C	S	.	.			trans	-91.8	119.7	165.5	-170.1	0	0	0	0	108.3	E502 C503 G504 K505 L513 H520	C500-E502 VanDerWaalsContact C-N 3.27Å; C500-E502 PolarHBondContact O-N 2.84Å; C500-C503 PolarHBondContact O-N 2.75Å; C500-G504 CarbonylContact O-C 3.37Å; C500-G504 WeakPolarHBondContact O-CA 3.5Å; C500-G504 PolarHBondContact O-N 3.47Å; C500-K505 PolarHBondContact N-O 3.44Å; C500-L513 HydrophobicContact CB-CD1 3.58Å; C500-H520 PolarHBondContact SG-NE2 2.82Å
501	E	93.1	Very high	91.9	Very high	170 Å²	170	80.1 Å²	80.1	79%	0.794	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-32.4	-178.1	-52.5	-50.5	131.9	0	0	111.8	C503	E501-C503 VanDerWaalsContact C-N 3.33Å; E501-C503 PolarHBondContact O-N 2.64Å
502	E	91.3	Very high	91.9	Very high	112 Å²	112	79.1 Å²	79.1	52%	0.523	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.4	-177	-62.8	164.7	-107.5	0	0	114.2	C500 H520	C500-E502 VanDerWaalsContact C-N 3.27Å; C500-E502 PolarHBondContact O-N 2.84Å; E502-H520 IonicContact OE1-CD2 3.14Å; E502-H520 WeakPolarHBondContact OE2-CB 3.31Å; E502-H520 IonicContact OE2-CD2 3.47Å; E502-H520 PolarHBondContact OE2-CD2 3.22Å; E502-H520 IonicContact OE2-CG 2.75Å; E502-H520 VanDerWaalsContact OE2-CG 3.31Å
503	C	92.8	Very high	92	Very high	62 Å²	62	76.5 Å²	76.5	42%	0.419	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.6	13.5	-177.1	67	0	0	0	0	115	C500 E501 K505 H516 H520	C500-C503 PolarHBondContact O-N 2.75Å; E501-C503 VanDerWaalsContact C-N 3.33Å; E501-C503 PolarHBondContact O-N 2.64Å; C503-K505 PolarHBondContact O-N 2.96Å; C503-K505 VanDerWaalsContact SG-CB 3.6Å; C503-H516 PolarHBondContact SG-NE2 2.79Å; C503-H520 PolarHBondContact SG-NE2 3.04Å; C503-H520 VanDerWaalsContact SG-NE2 3.39Å
504	G	90.3	Very high	92.1	Very high	53 Å²	53	76.7 Å²	76.7	55%	0.546	40%	0.398	S	S	.	.			trans	64.6	-6.2	-177.9	0	0	0	0	0	116.3	C500 G506	C500-G504 CarbonylContact O-C 3.37Å; C500-G504 WeakPolarHBondContact O-CA 3.5Å; C500-G504 PolarHBondContact O-N 3.47Å; G504-G506 PolarHBondContact O-N 2.85Å
505	K	92.4	Very high	92.1	Very high	121 Å²	121	77.2 Å²	77.2	53%	0.526	39%	0.391	S	S	.	.			trans	-68.6	121.4	-165.8	-167.5	168.3	-174.7	168.1	0	112.3	K499 C500 C503 F507	K499-K505 CarbonylContact C-O 3.41Å; C500-K505 PolarHBondContact N-O 3.44Å; C503-K505 PolarHBondContact O-N 2.96Å; C503-K505 VanDerWaalsContact SG-CB 3.6Å; K505-F507 HydrophobicContact CB-CE2 4.03Å; K505-F507 HydrophobicContact CB-CZ 4.43Å; K505-F507 HydrophobicContact CD-CE2 4.37Å; K505-F507 HydrophobicContact CD-CZ 3.93Å; K505-F507 HydrophobicContact CG-CE2 3.86Å; K505-F507 HydrophobicContact CG-CZ 3.86Å; K505-F507 VanDerWaalsContact O-CD2 3.3Å; K505-F507 WeakPolarHBondContact O-CD2 3.35Å; K505-F507 WeakPolarHBondContact O-CE2 3.49Å
506	G	93.1	Very high	92.1	Very high	24 Å²	24	74 Å²	74	25%	0.247	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	139.3	-177.7	0	0	0	0	0	114.9	K496 G504	K496-G506 WeakPolarHBondContact CD-O 3.26Å; G504-G506 PolarHBondContact O-N 2.85Å
507	F	92	Very high	92	Very high	35 Å²	35	70.9 Å²	70.9	15%	0.154	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	144	177.8	-60.3	-92.8	0	0	0	111.6	K496 Y498 K505 H512 L513 H516	K496-F507 CarbonylContact C-O 3.41Å; K496-F507 VanDerWaalsContact C-O 3.29Å; K496-F507 VanDerWaalsContact CA-O 3.31Å; K496-F507 WeakPolarHBondContact CA-O 3.35Å; Y498-F507 WeakPolarHBondContact CD2-O 3.44Å; Y498-F507 PolarHBondContact N-O 3.05Å; Y498-F507 VanDerWaalsContact N-O 3.14Å; Y498-F507 PolarHBondContact O-N 2.98Å; K505-F507 HydrophobicContact CB-CE2 4.03Å; K505-F507 HydrophobicContact CB-CZ 4.43Å; K505-F507 HydrophobicContact CD-CE2 4.37Å; K505-F507 HydrophobicContact CD-CZ 3.93Å; K505-F507 HydrophobicContact CG-CE2 3.86Å; K505-F507 HydrophobicContact CG-CZ 3.86Å; K505-F507 VanDerWaalsContact O-CD2 3.3Å; K505-F507 WeakPolarHBondContact O-CD2 3.35Å; K505-F507 WeakPolarHBondContact O-CE2 3.49Å; F507-H512 HydrophobicContact CB-CB 4.37Å; F507-H512 HydrophobicContact CD1-CB 3.72Å; F507-H512 HydrophobicContact CE1-CB 4.49Å; F507-H512 HydrophobicContact CG-CB 4.32Å; F507-L513 HydrophobicContact CB-CB 4.44Å; F507-L513 HydrophobicContact CD2-CB 4.09Å; F507-L513 HydrophobicContact CD2-CD1 4.09Å; F507-L513 HydrophobicContact CE2-CD1 4.28Å; F507-L513 HydrophobicContact CG-CB 4.37Å; F507-H516 HydrophobicContact CE1-CB 4.1Å; F507-H516 HydrophobicContact CE2-CB 4.05Å; F507-H516 AromaticContact CE2-CD2 3.29Å; F507-H516 WeakPolarHBondContact CE2-CD2 3.23Å; F507-H516 AromaticContact CE2-CG 3.88Å; F507-H516 HydrophobicContact CZ-CB 3.56Å; F507-H516 AromaticContact CZ-CD2 3.23Å; F507-H516 WeakPolarHBondContact CZ-CD2 3.37Å; F507-H516 AromaticContact CZ-CG 3.41Å; F507-H516 VanDerWaalsContact CZ-CG 3.41Å
508	S	91	Very high	92	Very high	30 Å²	30	70.3 Å²	70.3	21%	0.21	35%	0.352	C	S	.	.	S	Bend	trans	-79.1	-15.2	177.6	56.6	0	0	0	0	114.1	R490 E495	R490-S508 PolarHBondContact NH1-O 3.35Å; R490-S508 VanDerWaalsContact NH1-O 3.1Å; E495-S508 WeakPolarHBondContact O-CB 3.48Å
509	Q	91.5	Very high	91.8	Very high	53 Å²	53	71.2 Å²	71.2	25%	0.248	37%	0.366	C	S	.	.	S	Bend	trans	-136	135	-179.8	-62.6	-179.2	51.1	0	0	111.6	S511 H512 L513	Q509-S511 VanDerWaalsContact C-N 3.28Å; Q509-S511 PolarHBondContact O-N 3.11Å; Q509-H512 PolarHBondContact O-N 2.98Å; Q509-H512 VanDerWaalsContact O-N 3.14Å; Q509-L513 PolarHBondContact O-N 3.35Å
510	R	92.3	Very high	91.6	Very high	162 Å²	162	68.4 Å²	68.4	61%	0.611	35%	0.354	S	S	*	.	H	α-helix	trans	-60.7	-33.1	-177.6	-173.8	174.2	178.1	160.6	1.2	113.5	Y498 H512 L513 L514	Y498-R510 HydrophobicContact CD1-CB 3.84Å; Y498-R510 HydrophobicContact CD1-CG 4.25Å; Y498-R510 HydrophobicContact CD2-CB 4.29Å; Y498-R510 HydrophobicContact CE1-CB 3.82Å; Y498-R510 HydrophobicContact CE1-CG 4.43Å; Y498-R510 HydrophobicContact CE2-CB 4.25Å; Y498-R510 HydrophobicContact CG-CB 4.08Å; R510-H512 VanDerWaalsContact C-N 3.31Å; R510-H512 PolarHBondContact O-N 3.3Å; R510-L513 WeakPolarHBondContact O-CB 3.48Å; R510-L513 PolarHBondContact O-N 2.99Å; R510-L514 HydrophobicContact CG-CD1 4.3Å; R510-L514 HydrophobicContact CG-CG 4.38Å; R510-L514 WeakPolarHBondContact O-CG 3.21Å; R510-L514 PolarHBondContact O-N 3.13Å
511	S	90.1	Very high	91.4	Very high	55 Å²	55	72.5 Å²	72.5	39%	0.385	38%	0.379	S	S	.	.	H	α-helix	trans	-56	-45.7	174.9	45	0	0	0	0	111.9	Q509 L513 L514 I515	Q509-S511 VanDerWaalsContact C-N 3.28Å; Q509-S511 PolarHBondContact O-N 3.11Å; S511-L513 VanDerWaalsContact C-N 3.31Å; S511-L513 PolarHBondContact O-N 2.66Å; S511-L514 PolarHBondContact O-N 3.11Å; S511-I515 WeakPolarHBondContact O-CB 3.48Å; S511-I515 WeakPolarHBondContact O-CD1 3.42Å; S511-I515 WeakPolarHBondContact O-CG1 3.44Å; S511-I515 PolarHBondContact O-N 3.3Å
512	H	91.2	Very high	91.1	Very high	80 Å²	80	66.4 Å²	66.4	37%	0.37	36%	0.363	S	S	.	.	H	α-helix	trans	-67.8	-31.1	-179.5	-57.1	160.3	0	0	0	112.5	F507 Q509 R510 H516	F507-H512 HydrophobicContact CB-CB 4.37Å; F507-H512 HydrophobicContact CD1-CB 3.72Å; F507-H512 HydrophobicContact CE1-CB 4.49Å; F507-H512 HydrophobicContact CG-CB 4.32Å; Q509-H512 PolarHBondContact O-N 2.98Å; Q509-H512 VanDerWaalsContact O-N 3.14Å; R510-H512 VanDerWaalsContact C-N 3.31Å; R510-H512 PolarHBondContact O-N 3.3Å; H512-H516 VanDerWaalsContact O-CB 3.27Å; H512-H516 WeakPolarHBondContact O-CB 3.49Å; H512-H516 PolarHBondContact O-N 3.08Å
513	L	93.6	Very high	91.1	Very high	19 Å²	19	65.9 Å²	65.9	10%	0.099	36%	0.36	C	S	.	.	H	α-helix	trans	-66.2	-51.9	170.6	172.2	61.2	0	0	0	111.5	K499 C500 F507 Q509 R510 S511 I515 H516 Q517	K499-L513 WeakPolarHBondContact O-CD1 3.39Å; K499-L513 WeakPolarHBondContact O-CD2 3.33Å; C500-L513 HydrophobicContact CB-CD1 3.58Å; F507-L513 HydrophobicContact CB-CB 4.44Å; F507-L513 HydrophobicContact CD2-CB 4.09Å; F507-L513 HydrophobicContact CD2-CD1 4.09Å; F507-L513 HydrophobicContact CE2-CD1 4.28Å; F507-L513 HydrophobicContact CG-CB 4.37Å; Q509-L513 PolarHBondContact O-N 3.35Å; R510-L513 WeakPolarHBondContact O-CB 3.48Å; R510-L513 PolarHBondContact O-N 2.99Å; S511-L513 VanDerWaalsContact C-N 3.31Å; S511-L513 PolarHBondContact O-N 2.66Å; L513-I515 PolarHBondContact O-N 3.1Å; L513-H516 WeakPolarHBondContact O-CA 3.5Å; L513-H516 WeakPolarHBondContact O-CB 3.49Å; L513-H516 PolarHBondContact O-N 2.63Å; L513-Q517 HydrophobicContact CD1-CG 4.14Å; L513-Q517 WeakPolarHBondContact O-CG 3.42Å; L513-Q517 PolarHBondContact O-N 3.25Å
514	L	91	Very high	91	Very high	88 Å²	88	68.9 Å²	68.9	46%	0.461	37%	0.366	S	S	.	.	H	α-helix	trans	-59.5	-36.2	179.2	-65.8	172.2	0	0	0	112.2	R510 S511	R510-L514 HydrophobicContact CG-CD1 4.3Å; R510-L514 HydrophobicContact CG-CG 4.38Å; R510-L514 WeakPolarHBondContact O-CG 3.21Å; R510-L514 PolarHBondContact O-N 3.13Å; S511-L514 PolarHBondContact O-N 3.11Å
515	I	89.7	Confident	91.1	Very high	50 Å²	50	69.6 Å²	69.6	26%	0.256	36%	0.361	S	S	.	.	H	α-helix	trans	-64.2	-42.1	170.9	-81	157.3	0	0	0	111.7	S511 L513 R518 H537	S511-I515 WeakPolarHBondContact O-CB 3.48Å; S511-I515 WeakPolarHBondContact O-CD1 3.42Å; S511-I515 WeakPolarHBondContact O-CG1 3.44Å; S511-I515 PolarHBondContact O-N 3.3Å; L513-I515 PolarHBondContact O-N 3.1Å; I515-R518 WeakPolarHBondContact O-CB 3.23Å; I515-R518 PolarHBondContact O-N 3.5Å; I515-H537 VanDerWaalsContact CD1-NE2 3.35Å; I515-H537 WeakPolarHBondContact CD1-NE2 3.47Å; I515-H537 WeakPolarHBondContact CG2-NE2 3.49Å
516	H	91.5	Very high	91.1	Very high	24 Å²	24	67.8 Å²	67.8	11%	0.111	35%	0.352	C	S	.	.	H	α-helix	trans	-70.1	-36	-177.9	174	40.5	0	0	0	112.9	C503 F507 H512 L513 R518 V519 H520	C503-H516 PolarHBondContact SG-NE2 2.79Å; F507-H516 HydrophobicContact CE1-CB 4.1Å; F507-H516 HydrophobicContact CE2-CB 4.05Å; F507-H516 AromaticContact CE2-CD2 3.29Å; F507-H516 WeakPolarHBondContact CE2-CD2 3.23Å; F507-H516 AromaticContact CE2-CG 3.88Å; F507-H516 HydrophobicContact CZ-CB 3.56Å; F507-H516 AromaticContact CZ-CD2 3.23Å; F507-H516 WeakPolarHBondContact CZ-CD2 3.37Å; F507-H516 AromaticContact CZ-CG 3.41Å; F507-H516 VanDerWaalsContact CZ-CG 3.41Å; H512-H516 VanDerWaalsContact O-CB 3.27Å; H512-H516 WeakPolarHBondContact O-CB 3.49Å; H512-H516 PolarHBondContact O-N 3.08Å; L513-H516 WeakPolarHBondContact O-CA 3.5Å; L513-H516 WeakPolarHBondContact O-CB 3.49Å; L513-H516 PolarHBondContact O-N 2.63Å; H516-R518 PolarHBondContact O-N 3.17Å; H516-R518 VanDerWaalsContact O-N 3.15Å; H516-V519 WeakPolarHBondContact O-CB 3.13Å; H516-V519 VanDerWaalsContact O-CG2 3.3Å; H516-V519 WeakPolarHBondContact O-CG2 3.34Å; H516-V519 PolarHBondContact O-N 2.93Å; H516-H520 AromaticContact CE1-NE2 3.77Å; H516-H520 AromaticContact NE2-NE2 3.64Å
517	Q	91.2	Very high	91.1	Very high	64 Å²	64	73.3 Å²	73.3	30%	0.299	37%	0.369	S	S	.	.	H	α-helix	trans	-58.7	-28	177.4	-69.3	176.7	-79.8	0	0	112.4	L513 V519 H520 T521	L513-Q517 HydrophobicContact CD1-CG 4.14Å; L513-Q517 WeakPolarHBondContact O-CG 3.42Å; L513-Q517 PolarHBondContact O-N 3.25Å; Q517-V519 PolarHBondContact O-N 2.78Å; Q517-V519 VanDerWaalsContact O-N 3.14Å; Q517-H520 PolarHBondContact O-N 3.16Å; Q517-T521 PolarHBondContact O-N 2.86Å; Q517-T521 VanDerWaalsContact O-N 3.09Å
518	R	91.8	Very high	91.2	Very high	58 Å²	58	71.7 Å²	71.7	22%	0.219	36%	0.362	C	S	.	.	H	α-helix	trans	-62.8	-15.5	170.9	-58.8	-175.4	173.6	146.8	3.9	114.9	I515 H516 G522 E523 S536	I515-R518 WeakPolarHBondContact O-CB 3.23Å; I515-R518 PolarHBondContact O-N 3.5Å; H516-R518 PolarHBondContact O-N 3.17Å; H516-R518 VanDerWaalsContact O-N 3.15Å; R518-G522 CarbonylContact O-C 3.6Å; R518-G522 WeakPolarHBondContact O-CA 3.23Å; R518-G522 PolarHBondContact O-N 3.32Å; R518-G522 VanDerWaalsContact O-N 3.1Å; R518-E523 HydrophobicContact CB-CB 3.94Å; R518-E523 HydrophobicContact CG-CB 3.84Å; R518-E523 IonicContact NE-OE2 3.51Å; R518-E523 PolarHBondContact O-N 2.7Å; R518-S536 PolarHBondContact NH1-O 3.42Å
519	V	89.8	Confident	91.3	Very high	100 Å²	100	77 Å²	77	61%	0.606	39%	0.388	S	S	*	.	H	α-helix	trans	-73.9	-32.7	172.1	-177.4	0	0	0	0	110.5	H516 Q517	H516-V519 WeakPolarHBondContact O-CB 3.13Å; H516-V519 VanDerWaalsContact O-CG2 3.3Å; H516-V519 WeakPolarHBondContact O-CG2 3.34Å; H516-V519 PolarHBondContact O-N 2.93Å; Q517-V519 PolarHBondContact O-N 2.78Å; Q517-V519 VanDerWaalsContact O-N 3.14Å
520	H	90.2	Very high	91.3	Very high	75 Å²	75	79.5 Å²	79.5	35%	0.347	40%	0.403	S	S	.	.	H	α-helix	trans	-82.5	-46.7	177.6	-53.8	-54.5	0	0	0	111.5	C500 E502 C503 H516 Q517 G522	C500-H520 PolarHBondContact SG-NE2 2.82Å; E502-H520 IonicContact OE1-CD2 3.14Å; E502-H520 WeakPolarHBondContact OE2-CB 3.31Å; E502-H520 IonicContact OE2-CD2 3.47Å; E502-H520 PolarHBondContact OE2-CD2 3.22Å; E502-H520 IonicContact OE2-CG 2.75Å; E502-H520 VanDerWaalsContact OE2-CG 3.31Å; C503-H520 PolarHBondContact SG-NE2 3.04Å; C503-H520 VanDerWaalsContact SG-NE2 3.39Å; H516-H520 AromaticContact CE1-NE2 3.77Å; H516-H520 AromaticContact NE2-NE2 3.64Å; Q517-H520 PolarHBondContact O-N 3.16Å; H520-G522 PolarHBondContact O-N 2.79Å
521	T	89.2	Confident	91.3	Very high	87 Å²	87	74.8 Å²	74.8	53%	0.534	39%	0.394	S	S	.	.	S	Bend	trans	-74.7	-9.9	177.3	65.8	0	0	0	0	114	Q517 E523	Q517-T521 PolarHBondContact O-N 2.86Å; Q517-T521 VanDerWaalsContact O-N 3.09Å; T521-E523 PolarHBondContact O-N 3.45Å; T521-E523 WeakPolarHBondContact OG1-CB 3.29Å; T521-E523 WeakPolarHBondContact OG1-CG 3.45Å; T521-E523 PolarHBondContact OG1-N 2.71Å
522	G	88.1	Confident	91.3	Very high	43 Å²	43	74.7 Å²	74.7	44%	0.443	40%	0.402	S	S	.	.			trans	70.7	1.8	-174.7	0	0	0	0	0	115	R518 H520 K524	R518-G522 CarbonylContact O-C 3.6Å; R518-G522 WeakPolarHBondContact O-CA 3.23Å; R518-G522 PolarHBondContact O-N 3.32Å; R518-G522 VanDerWaalsContact O-N 3.1Å; H520-G522 PolarHBondContact O-N 2.79Å; G522-K524 PolarHBondContact O-N 2.84Å
523	E	90.4	Very high	91.3	Very high	101 Å²	101	76.8 Å²	76.8	47%	0.472	41%	0.41	S	S	.	.			trans	-53.6	127.6	-174.7	-92.9	-175.6	-154.9	0	0	113.7	R518 T521	R518-E523 HydrophobicContact CB-CB 3.94Å; R518-E523 HydrophobicContact CG-CB 3.84Å; R518-E523 IonicContact NE-OE2 3.51Å; R518-E523 PolarHBondContact O-N 2.7Å; T521-E523 PolarHBondContact O-N 3.45Å; T521-E523 WeakPolarHBondContact OG1-CB 3.29Å; T521-E523 WeakPolarHBondContact OG1-CG 3.45Å; T521-E523 PolarHBondContact OG1-N 2.71Å
524	K	91.6	Very high	91.2	Very high	124 Å²	124	76.9 Å²	76.9	54%	0.539	42%	0.416	S	S	.	.			trans	-129.4	74.4	176.5	-75.1	157.3	-178.8	166.9	0	110.6	G522 Y526 G534 F535	G522-K524 PolarHBondContact O-N 2.84Å; K524-Y526 PolarHBondContact O-N 3.39Å; K524-G534 WeakPolarHBondContact CD-O 3.41Å; K524-F535 CarbonylContact C-O 3.2Å; K524-F535 WeakPolarHBondContact CA-O 3.48Å
525	P	91.1	Very high	91.2	Very high	69 Å²	69	74.4 Å²	74.4	45%	0.448	40%	0.401	S	S	.	.			trans	-66.5	-20.9	-174.2	-21.6	35.1	0	0	0	114
526	Y	93.1	Very high	91.1	Very high	83 Å²	83	73.7 Å²	73.7	33%	0.325	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	96.5	-177.9	-51	-73.6	0	0	0	109	K524 G534 F535 S538	K524-Y526 PolarHBondContact O-N 3.39Å; Y526-G534 CarbonylContact O-C 3.57Å; Y526-F535 PolarHBondContact N-O 3.45Å; Y526-F535 PolarHBondContact O-N 2.88Å; Y526-S538 VanDerWaalsContact CD2-N 3.25Å
527	K	92.8	Very high	90.9	Very high	140 Å²	140	75.4 Å²	75.4	61%	0.609	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	149.7	175	-62.4	-178.9	-177.4	178.4	0	110.3	K533 L541	K527-K533 CarbonylContact C-O 3.57Å; K527-K533 WeakPolarHBondContact CA-O 3.24Å; K527-L541 WeakPolarHBondContact O-CD2 3.44Å
528	C	94.1	Very high	90.9	Very high	1 Å²	1	75.6 Å²	75.6	1%	0.007	42%	0.417	C	S	.	.			trans	-88.1	124.8	167.6	-159.9	0	0	0	0	108.7	G532 K533 L541	C528-G532 CarbonylContact O-C 3.56Å; C528-G532 WeakPolarHBondContact O-CA 3.2Å; C528-G532 PolarHBondContact O-N 3.03Å; C528-K533 HydrophobicContact CB-CB 4.41Å; C528-K533 PolarHBondContact N-O 3.18Å; C528-L541 VanDerWaalsContact CA-CD1 3.48Å; C528-L541 HydrophobicContact CB-CD1 3.56Å
529	D	93.2	Very high	90.7	Very high	142 Å²	142	75.7 Å²	75.7	76%	0.759	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-36.4	-176.6	-51.7	-62.3	0	0	0	111.1	C531	D529-C531 PolarHBondContact O-N 3.15Å
530	D	91.1	Very high	90.7	Very high	104 Å²	104	74.2 Å²	74.2	56%	0.556	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.6	-179.8	-47.5	-56.6	0	0	0	114.6	H548	D530-H548 IonicContact OD2-CD2 3.19Å; D530-H548 PolarHBondContact OD2-CD2 3.25Å; D530-H548 IonicContact OD2-CG 3.76Å
531	C	92.9	Very high	90.8	Very high	64 Å²	64	71.7 Å²	71.7	43%	0.432	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.8	13	-173.7	68.7	0	0	0	0	115.8	D529 K533 H544 H548	D529-C531 PolarHBondContact O-N 3.15Å; C531-K533 PolarHBondContact O-N 3.23Å; C531-H544 PolarHBondContact SG-NE2 2.8Å; C531-H548 PolarHBondContact SG-NE2 3.31Å
532	G	89.8	Confident	90.8	Very high	53 Å²	53	71.9 Å²	71.9	55%	0.546	40%	0.399	S	S	.	.			trans	65.5	-5	-178.8	0	0	0	0	0	116.5	C528 G534	C528-G532 CarbonylContact O-C 3.56Å; C528-G532 WeakPolarHBondContact O-CA 3.2Å; C528-G532 PolarHBondContact O-N 3.03Å; G532-G534 PolarHBondContact O-N 3.19Å
533	K	91.8	Very high	90.8	Very high	123 Å²	123	71.9 Å²	71.9	54%	0.535	39%	0.388	S	S	.	.			trans	-67.9	120.9	-167	-167.6	168.2	-173.2	167	0	112.4	K527 C528 C531 F535	K527-K533 CarbonylContact C-O 3.57Å; K527-K533 WeakPolarHBondContact CA-O 3.24Å; C528-K533 HydrophobicContact CB-CB 4.41Å; C528-K533 PolarHBondContact N-O 3.18Å; C531-K533 PolarHBondContact O-N 3.23Å; K533-F535 HydrophobicContact CB-CE2 4.07Å; K533-F535 HydrophobicContact CB-CZ 4.42Å; K533-F535 HydrophobicContact CD-CE2 4.43Å; K533-F535 HydrophobicContact CD-CZ 3.95Å; K533-F535 HydrophobicContact CG-CE2 3.9Å; K533-F535 HydrophobicContact CG-CZ 3.86Å; K533-F535 VanDerWaalsContact O-CD2 3.3Å; K533-F535 WeakPolarHBondContact O-CD2 3.49Å; K533-F535 WeakPolarHBondContact O-CE2 3.31Å
534	G	91.2	Very high	90.9	Very high	22 Å²	22	68.3 Å²	68.3	23%	0.227	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	140.5	-176.8	0	0	0	0	0	115.3	K524 Y526 G532	K524-G534 WeakPolarHBondContact CD-O 3.41Å; Y526-G534 CarbonylContact O-C 3.57Å; G532-G534 PolarHBondContact O-N 3.19Å
535	F	89.9	Confident	90.8	Very high	35 Å²	35	65.3 Å²	65.3	15%	0.154	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147	178	-58.7	-92.2	0	0	0	111.9	K524 Y526 K533 H537 N540 L541 H544	K524-F535 CarbonylContact C-O 3.2Å; K524-F535 WeakPolarHBondContact CA-O 3.48Å; Y526-F535 PolarHBondContact N-O 3.45Å; Y526-F535 PolarHBondContact O-N 2.88Å; K533-F535 HydrophobicContact CB-CE2 4.07Å; K533-F535 HydrophobicContact CB-CZ 4.42Å; K533-F535 HydrophobicContact CD-CE2 4.43Å; K533-F535 HydrophobicContact CD-CZ 3.95Å; K533-F535 HydrophobicContact CG-CE2 3.9Å; K533-F535 HydrophobicContact CG-CZ 3.86Å; K533-F535 VanDerWaalsContact O-CD2 3.3Å; K533-F535 WeakPolarHBondContact O-CD2 3.49Å; K533-F535 WeakPolarHBondContact O-CE2 3.31Å; F535-H537 VanDerWaalsContact C-N 3.29Å; F535-N540 HydrophobicContact CB-CB 4.3Å; F535-N540 HydrophobicContact CD1-CB 3.77Å; F535-N540 HydrophobicContact CG-CB 4.28Å; F535-L541 HydrophobicContact CB-CB 4.47Å; F535-L541 HydrophobicContact CD2-CB 3.98Å; F535-L541 HydrophobicContact CD2-CD1 4.14Å; F535-L541 HydrophobicContact CE2-CD1 4.26Å; F535-L541 HydrophobicContact CG-CB 4.35Å; F535-H544 HydrophobicContact CE1-CB 4.16Å; F535-H544 HydrophobicContact CE2-CB 4.07Å; F535-H544 AromaticContact CE2-CD2 3.28Å; F535-H544 WeakPolarHBondContact CE2-CD2 3.31Å; F535-H544 AromaticContact CE2-CG 3.89Å; F535-H544 HydrophobicContact CZ-CB 3.58Å; F535-H544 AromaticContact CZ-CD2 3.26Å; F535-H544 WeakPolarHBondContact CZ-CD2 3.13Å; F535-H544 AromaticContact CZ-CG 3.44Å; F535-H544 VanDerWaalsContact CZ-CG 3.44Å
536	S	87.5	Confident	90.9	Very high	36 Å²	36	63.7 Å²	63.7	25%	0.252	34%	0.344	S	S	.	.	S	Bend	trans	-79.6	-9.6	173.1	53.5	0	0	0	0	113.7	R518	R518-S536 PolarHBondContact NH1-O 3.42Å
537	H	88	Confident	90.7	Very high	60 Å²	60	64.5 Å²	64.5	28%	0.278	36%	0.358	S	S	.	.			trans	-131.5	133.9	-178.3	-93.8	-172.4	0	0	0	111.5	I515 F535 N540 L541	I515-H537 VanDerWaalsContact CD1-NE2 3.35Å; I515-H537 WeakPolarHBondContact CD1-NE2 3.47Å; I515-H537 WeakPolarHBondContact CG2-NE2 3.49Å; F535-H537 VanDerWaalsContact C-N 3.29Å; H537-N540 HydrophobicContact CB-CB 3.95Å; H537-N540 PolarHBondContact O-N 3.19Å; H537-L541 PolarHBondContact O-N 2.82Å
538	S	90.3	Very high	90.6	Very high	67 Å²	67	61.7 Å²	61.7	47%	0.469	35%	0.347	S	S	.	.	H	α-helix	trans	-65.9	-34.4	172.8	51.5	0	0	0	0	113.1	Y526 N540 L541 H542	Y526-S538 VanDerWaalsContact CD2-N 3.25Å; S538-N540 VanDerWaalsContact C-N 3.29Å; S538-N540 PolarHBondContact O-N 3.41Å; S538-L541 WeakPolarHBondContact O-CB 3.42Å; S538-L541 PolarHBondContact O-N 3.02Å; S538-H542 PolarHBondContact O-N 2.68Å
539	S	88.7	Confident	90.4	Very high	61 Å²	61	66 Å²	66	43%	0.427	37%	0.373	S	S	.	.	H	α-helix	trans	-64	-34.7	174.4	52.8	0	0	0	0	112.5	H542 I543	S539-H542 PolarHBondContact O-N 3.24Å; S539-I543 WeakPolarHBondContact O-CD1 3.26Å; S539-I543 VanDerWaalsContact O-CG1 3.27Å; S539-I543 WeakPolarHBondContact O-CG1 3.49Å; S539-I543 PolarHBondContact O-N 3.41Å
540	N	89.9	Confident	90.1	Very high	69 Å²	69	61.2 Å²	61.2	37%	0.369	36%	0.357	S	S	.	.	H	α-helix	trans	-71.4	-37.9	176.7	-65.8	9.6	0	0	0	111	F535 H537 S538 H544	F535-N540 HydrophobicContact CB-CB 4.3Å; F535-N540 HydrophobicContact CD1-CB 3.77Å; F535-N540 HydrophobicContact CG-CB 4.28Å; H537-N540 HydrophobicContact CB-CB 3.95Å; H537-N540 PolarHBondContact O-N 3.19Å; S538-N540 VanDerWaalsContact C-N 3.29Å; S538-N540 PolarHBondContact O-N 3.41Å; N540-H544 WeakPolarHBondContact O-CB 3.38Å; N540-H544 PolarHBondContact O-N 3.28Å
541	L	92.4	Very high	90.1	Very high	21 Å²	21	60.7 Å²	60.7	11%	0.11	35%	0.352	C	S	.	.	H	α-helix	trans	-60.3	-50.2	170.1	170.1	60.2	0	0	0	111.2	K527 C528 F535 H537 S538 I543 H544 Q545	K527-L541 WeakPolarHBondContact O-CD2 3.44Å; C528-L541 VanDerWaalsContact CA-CD1 3.48Å; C528-L541 HydrophobicContact CB-CD1 3.56Å; F535-L541 HydrophobicContact CB-CB 4.47Å; F535-L541 HydrophobicContact CD2-CB 3.98Å; F535-L541 HydrophobicContact CD2-CD1 4.14Å; F535-L541 HydrophobicContact CE2-CD1 4.26Å; F535-L541 HydrophobicContact CG-CB 4.35Å; H537-L541 PolarHBondContact O-N 2.82Å; S538-L541 WeakPolarHBondContact O-CB 3.42Å; S538-L541 PolarHBondContact O-N 3.02Å; L541-I543 VanDerWaalsContact C-N 3.33Å; L541-I543 PolarHBondContact O-N 3.09Å; L541-H544 CarbonylContact O-C 3.48Å; L541-H544 WeakPolarHBondContact O-CA 3.41Å; L541-H544 WeakPolarHBondContact O-CB 3.26Å; L541-H544 PolarHBondContact O-N 3.03Å; L541-Q545 HydrophobicContact CD1-CG 4.11Å; L541-Q545 PolarHBondContact O-N 3.4Å
542	H	89.6	Confident	90	Very high	92 Å²	92	63.7 Å²	63.7	43%	0.426	36%	0.358	S	S	.	.	H	α-helix	trans	-62.8	-36.6	-179.5	179.9	61.4	0	0	0	113.3	S538 S539 H544 R546	S538-H542 PolarHBondContact O-N 2.68Å; S539-H542 PolarHBondContact O-N 3.24Å; H542-H544 VanDerWaalsContact C-N 3.3Å; H542-R546 PolarHBondContact NE2-NH2 3.44Å
543	I	88.2	Confident	90	Very high	42 Å²	42	64.6 Å²	64.6	22%	0.215	35%	0.354	C	S	.	.	H	α-helix	trans	-68.1	-32.3	172.2	-68.2	164	0	0	0	111.2	S539 L541 H565	S539-I543 WeakPolarHBondContact O-CD1 3.26Å; S539-I543 VanDerWaalsContact O-CG1 3.27Å; S539-I543 WeakPolarHBondContact O-CG1 3.49Å; S539-I543 PolarHBondContact O-N 3.41Å; L541-I543 VanDerWaalsContact C-N 3.33Å; L541-I543 PolarHBondContact O-N 3.09Å; I543-H565 HydrophobicContact CG2-CB 4.13Å
544	H	91	Very high	90	Very high	26 Å²	26	62.5 Å²	62.5	12%	0.12	34%	0.343	C	S	.	.	H	α-helix	trans	-73.6	-36.9	177.1	172.2	43.9	0	0	0	113.5	C531 F535 N540 L541 H542 R546 V547 H548	C531-H544 PolarHBondContact SG-NE2 2.8Å; F535-H544 HydrophobicContact CE1-CB 4.16Å; F535-H544 HydrophobicContact CE2-CB 4.07Å; F535-H544 AromaticContact CE2-CD2 3.28Å; F535-H544 WeakPolarHBondContact CE2-CD2 3.31Å; F535-H544 AromaticContact CE2-CG 3.89Å; F535-H544 HydrophobicContact CZ-CB 3.58Å; F535-H544 AromaticContact CZ-CD2 3.26Å; F535-H544 WeakPolarHBondContact CZ-CD2 3.13Å; F535-H544 AromaticContact CZ-CG 3.44Å; F535-H544 VanDerWaalsContact CZ-CG 3.44Å; N540-H544 WeakPolarHBondContact O-CB 3.38Å; N540-H544 PolarHBondContact O-N 3.28Å; L541-H544 CarbonylContact O-C 3.48Å; L541-H544 WeakPolarHBondContact O-CA 3.41Å; L541-H544 WeakPolarHBondContact O-CB 3.26Å; L541-H544 PolarHBondContact O-N 3.03Å; H542-H544 VanDerWaalsContact C-N 3.3Å; H544-R546 PolarHBondContact O-N 3.37Å; H544-R546 VanDerWaalsContact O-N 3.1Å; H544-V547 WeakPolarHBondContact O-CB 3.34Å; H544-V547 VanDerWaalsContact O-CG2 3.31Å; H544-V547 WeakPolarHBondContact O-CG2 3.31Å; H544-V547 PolarHBondContact O-N 2.92Å; H544-H548 AromaticContact CE1-NE2 3.52Å; H544-H548 AromaticContact NE2-NE2 3.5Å; H544-H548 PolarHBondContact NE2-NE2 3.11Å
545	Q	91.3	Very high	90	Very high	62 Å²	62	68.2 Å²	68.2	29%	0.29	36%	0.364	S	S	.	.	H	α-helix	trans	-55.4	-30.1	176.1	-74.1	171.4	-47.8	0	0	112.4	L541 V547 H548 T549	L541-Q545 HydrophobicContact CD1-CG 4.11Å; L541-Q545 PolarHBondContact O-N 3.4Å; Q545-V547 PolarHBondContact O-N 3.19Å; Q545-V547 VanDerWaalsContact O-N 3.14Å; Q545-H548 WeakPolarHBondContact O-CB 3.39Å; Q545-H548 PolarHBondContact O-N 3.36Å; Q545-T549 PolarHBondContact O-N 3.39Å; Q545-T549 VanDerWaalsContact O-N 3.1Å
546	R	91.8	Very high	90.2	Very high	34 Å²	34	66.6 Å²	66.6	13%	0.128	36%	0.357	C	S	.	.	H	α-helix	trans	-65.2	-11.1	173.1	-57.2	178.7	-172.7	-176.2	-5.4	114.9	H542 H544 G550 E551 S564	H542-R546 PolarHBondContact NE2-NH2 3.44Å; H544-R546 PolarHBondContact O-N 3.37Å; H544-R546 VanDerWaalsContact O-N 3.1Å; R546-G550 CarbonylContact O-C 3.54Å; R546-G550 WeakPolarHBondContact O-CA 3.31Å; R546-G550 PolarHBondContact O-N 3.01Å; R546-G550 VanDerWaalsContact O-N 3.1Å; R546-E551 HydrophobicContact CB-CB 4Å; R546-E551 HydrophobicContact CG-CB 3.97Å; R546-E551 PolarHBondContact O-N 2.71Å; R546-S564 PolarHBondContact NH1-O 3.28Å
547	V	89.8	Confident	90.3	Very high	101 Å²	101	70 Å²	70	61%	0.612	39%	0.388	S	S	*	.	H	α-helix	trans	-75.5	-34.4	169	-178	0	0	0	0	110.4	H544 Q545	H544-V547 WeakPolarHBondContact O-CB 3.34Å; H544-V547 VanDerWaalsContact O-CG2 3.31Å; H544-V547 WeakPolarHBondContact O-CG2 3.31Å; H544-V547 PolarHBondContact O-N 2.92Å; Q545-V547 PolarHBondContact O-N 3.19Å; Q545-V547 VanDerWaalsContact O-N 3.14Å
548	H	90.3	Very high	90.3	Very high	81 Å²	81	74.4 Å²	74.4	38%	0.375	41%	0.406	S	S	.	.	H	α-helix	trans	-80.4	-43	177.4	-55.1	-58.2	0	0	0	111.6	D530 C531 H544 Q545 G550	D530-H548 IonicContact OD2-CD2 3.19Å; D530-H548 PolarHBondContact OD2-CD2 3.25Å; D530-H548 IonicContact OD2-CG 3.76Å; C531-H548 PolarHBondContact SG-NE2 3.31Å; H544-H548 AromaticContact CE1-NE2 3.52Å; H544-H548 AromaticContact NE2-NE2 3.5Å; H544-H548 PolarHBondContact NE2-NE2 3.11Å; Q545-H548 WeakPolarHBondContact O-CB 3.39Å; Q545-H548 PolarHBondContact O-N 3.36Å; H548-G550 VanDerWaalsContact C-N 3.3Å; H548-G550 PolarHBondContact O-N 3.49Å
549	T	89.3	Confident	90.4	Very high	90 Å²	90	74.3 Å²	74.3	55%	0.552	40%	0.404	S	S	*	.	S	Bend	trans	-79.2	-10.1	176.1	68.3	0	0	0	0	114.1	Q545 E551	Q545-T549 PolarHBondContact O-N 3.39Å; Q545-T549 VanDerWaalsContact O-N 3.1Å; T549-E551 PolarHBondContact O-N 3.28Å; T549-E551 WeakPolarHBondContact OG1-CG 3.46Å
550	G	88	Confident	90.3	Very high	42 Å²	42	74 Å²	74	43%	0.433	41%	0.41	S	S	.	.			trans	71.1	0.3	-175.9	0	0	0	0	0	115.4	R546 H548 K552	R546-G550 CarbonylContact O-C 3.54Å; R546-G550 WeakPolarHBondContact O-CA 3.31Å; R546-G550 PolarHBondContact O-N 3.01Å; R546-G550 VanDerWaalsContact O-N 3.1Å; H548-G550 VanDerWaalsContact C-N 3.3Å; H548-G550 PolarHBondContact O-N 3.49Å; G550-K552 PolarHBondContact O-N 3.23Å
551	E	90.1	Very high	90.3	Very high	94 Å²	94	76.7 Å²	76.7	44%	0.439	42%	0.419	S	S	.	.			trans	-54	127.8	-174.5	-87.6	177.4	-144.8	0	0	113.9	R546 T549	R546-E551 HydrophobicContact CB-CB 4Å; R546-E551 HydrophobicContact CG-CB 3.97Å; R546-E551 PolarHBondContact O-N 2.71Å; T549-E551 PolarHBondContact O-N 3.28Å; T549-E551 WeakPolarHBondContact OG1-CG 3.46Å
552	K	90.6	Very high	90.2	Very high	127 Å²	127	76.8 Å²	76.8	55%	0.552	43%	0.425	S	S	*	.			trans	-128.8	69.9	177.2	-73.6	159.7	-172.4	164.3	0	111.5	G550 Y554 F563	G550-K552 PolarHBondContact O-N 3.23Å; K552-Y554 PolarHBondContact O-N 3.08Å; K552-Y554 VanDerWaalsContact O-N 3.09Å; K552-F563 CarbonylContact C-O 3.56Å; K552-F563 VanDerWaalsContact C-O 3.3Å; K552-F563 WeakPolarHBondContact CA-O 3.42Å
553	P	90.6	Very high	90.1	Very high	72 Å²	72	74 Å²	74	47%	0.468	41%	0.412	S	S	.	.			trans	-67.2	-12.3	-172.6	-20.8	34.9	0	0	0	114.8
554	Y	91.8	Very high	90.1	Very high	79 Å²	79	74.1 Å²	74.1	31%	0.31	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	94.5	-176.7	-54.4	-75.7	0	0	0	109.9	K552 F563 H565 S566	K552-Y554 PolarHBondContact O-N 3.08Å; K552-Y554 VanDerWaalsContact O-N 3.09Å; Y554-F563 PolarHBondContact N-O 3.37Å; Y554-F563 VanDerWaalsContact N-O 3.16Å; Y554-F563 PolarHBondContact O-N 2.88Å; Y554-H565 VanDerWaalsContact CD2-CA 3.46Å; Y554-S566 VanDerWaalsContact CD2-N 3.29Å
555	Q	92.1	Very high	89.9	Confident	141 Å²	141	76 Å²	76	66%	0.659	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	145.2	179.5	-66	178.9	-7	0	0	112.2	L569	Q555-L569 WeakPolarHBondContact O-CD2 3.4Å
556	C	92.6	Very high	89.8	Confident	2 Å²	2	75.6 Å²	75.6	1%	0.014	43%	0.429	C	S	.	.			trans	-85.5	110.3	174	-170.4	0	0	0	0	111.3	K558 C559 G560 K561 L569	C556-K558 PolarHBondContact O-N 3.12Å; C556-C559 PolarHBondContact O-N 3.03Å; C556-G560 WeakPolarHBondContact O-CA 3.29Å; C556-G560 PolarHBondContact O-N 3.46Å; C556-K561 PolarHBondContact N-O 3.05Å; C556-L569 HydrophobicContact CB-CD1 3.61Å
557	A	91.1	Very high	89.6	Confident	108 Å²	108	76.2 Å²	76.2	89%	0.893	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-21.9	178.3	0	0	0	0	0	114.7
558	K	87.8	Confident	89.5	Confident	152 Å²	152	73.1 Å²	73.1	66%	0.661	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-17	177.5	-74.9	-170.9	173.4	-168.5	0	114.8	C556 H576	C556-K558 PolarHBondContact O-N 3.12Å; K558-H576 HydrophobicContact CD-CB 3.6Å; K558-H576 PolarHBondContact NZ-O 3.33Å
559	C	91.6	Very high	89.5	Confident	64 Å²	64	70.2 Å²	70.2	43%	0.432	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.1	10.5	-173.8	70.6	0	0	0	0	115.7	C556 K561 H572 H576	C556-C559 PolarHBondContact O-N 3.03Å; C559-K561 PolarHBondContact O-N 3.13Å; C559-K561 VanDerWaalsContact SG-CB 3.57Å; C559-H572 PolarHBondContact SG-NE2 3.09Å; C559-H576 PolarHBondContact SG-NE2 3.29Å
560	G	87.5	Confident	89.5	Confident	54 Å²	54	73.7 Å²	73.7	56%	0.557	41%	0.413	S	S	*	.			trans	69.4	-13.9	-178	0	0	0	0	0	116	C556 G562	C556-G560 WeakPolarHBondContact O-CA 3.29Å; C556-G560 PolarHBondContact O-N 3.46Å; G560-G562 PolarHBondContact O-N 3.44Å
561	K	89.8	Confident	89.4	Confident	127 Å²	127	73.4 Å²	73.4	55%	0.552	40%	0.402	S	S	*	.			trans	-60.7	120.4	-170.8	-166.4	166.6	-173.8	167.4	0	112.3	C556 C559 F563	C556-K561 PolarHBondContact N-O 3.05Å; C559-K561 PolarHBondContact O-N 3.13Å; C559-K561 VanDerWaalsContact SG-CB 3.57Å; K561-F563 HydrophobicContact CB-CE2 4.04Å; K561-F563 HydrophobicContact CB-CZ 4.38Å; K561-F563 HydrophobicContact CD-CE2 4.45Å; K561-F563 HydrophobicContact CD-CZ 3.95Å; K561-F563 HydrophobicContact CG-CE2 3.89Å; K561-F563 HydrophobicContact CG-CZ 3.84Å; K561-F563 WeakPolarHBondContact O-CD2 3.41Å; K561-F563 WeakPolarHBondContact O-CE2 3.43Å
562	G	89.1	Confident	89.3	Confident	23 Å²	23	70.4 Å²	70.4	24%	0.237	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	142.5	-179.1	0	0	0	0	0	114.3	G560	G560-G562 PolarHBondContact O-N 3.44Å
563	F	89.1	Confident	89.1	Confident	34 Å²	34	68.7 Å²	68.7	15%	0.149	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	145.5	179.7	-60.4	-93.2	0	0	0	111.3	K552 Y554 K561 A568 L569 H572	K552-F563 CarbonylContact C-O 3.56Å; K552-F563 VanDerWaalsContact C-O 3.3Å; K552-F563 WeakPolarHBondContact CA-O 3.42Å; Y554-F563 PolarHBondContact N-O 3.37Å; Y554-F563 VanDerWaalsContact N-O 3.16Å; Y554-F563 PolarHBondContact O-N 2.88Å; K561-F563 HydrophobicContact CB-CE2 4.04Å; K561-F563 HydrophobicContact CB-CZ 4.38Å; K561-F563 HydrophobicContact CD-CE2 4.45Å; K561-F563 HydrophobicContact CD-CZ 3.95Å; K561-F563 HydrophobicContact CG-CE2 3.89Å; K561-F563 HydrophobicContact CG-CZ 3.84Å; K561-F563 WeakPolarHBondContact O-CD2 3.41Å; K561-F563 WeakPolarHBondContact O-CE2 3.43Å; F563-A568 HydrophobicContact CB-CB 4.28Å; F563-A568 HydrophobicContact CD1-CB 3.73Å; F563-A568 HydrophobicContact CG-CB 4.31Å; F563-L569 HydrophobicContact CB-CB 4.3Å; F563-L569 HydrophobicContact CD2-CB 3.91Å; F563-L569 HydrophobicContact CD2-CD1 3.95Å; F563-L569 HydrophobicContact CE2-CD1 4.09Å; F563-L569 HydrophobicContact CG-CB 4.2Å; F563-H572 HydrophobicContact CE1-CB 3.99Å; F563-H572 HydrophobicContact CE2-CB 4.1Å; F563-H572 AromaticContact CE2-CD2 3.25Å; F563-H572 WeakPolarHBondContact CE2-CD2 3.32Å; F563-H572 AromaticContact CE2-CG 3.83Å; F563-H572 HydrophobicContact CZ-CB 3.49Å; F563-H572 VanDerWaalsContact CZ-CB 3.49Å; F563-H572 AromaticContact CZ-CD2 3.28Å; F563-H572 WeakPolarHBondContact CZ-CD2 3.34Å; F563-H572 AromaticContact CZ-CG 3.36Å
564	S	86.3	Confident	89	Confident	43 Å²	43	67.2 Å²	67.2	30%	0.301	37%	0.367	S	S	.	.	S	Bend	trans	-76	-21.2	179.5	53.7	0	0	0	0	114	R546	R546-S564 PolarHBondContact NH1-O 3.28Å
565	H	87.5	Confident	88.7	Confident	65 Å²	65	67.9 Å²	67.9	30%	0.301	38%	0.379	S	S	.	.	S	Bend	trans	-140.7	142.7	176.4	-169.6	-132.5	0	0	0	113	I543 Y554 S567 A568	I543-H565 HydrophobicContact CG2-CB 4.13Å; Y554-H565 VanDerWaalsContact CD2-CA 3.46Å; H565-S567 VanDerWaalsContact C-N 3.26Å; H565-S567 PolarHBondContact ND1-OG 3.02Å; H565-S567 PolarHBondContact O-N 3.43Å; H565-A568 WeakPolarHBondContact O-CB 3.32Å; H565-A568 PolarHBondContact O-N 3.3Å; H565-A568 VanDerWaalsContact O-N 3.07Å
566	S	89.2	Confident	88.4	Confident	54 Å²	54	64.4 Å²	64.4	38%	0.378	36%	0.362	S	S	.	.	H	α-helix	trans	-60.7	-29	-173.2	58.7	0	0	0	0	114.3	Y554 A568 L569 R570	Y554-S566 VanDerWaalsContact CD2-N 3.29Å; S566-A568 VanDerWaalsContact C-N 3.29Å; S566-A568 PolarHBondContact O-N 3.04Å; S566-L569 PolarHBondContact O-N 3.44Å; S566-R570 PolarHBondContact O-N 3.39Å
567	S	88.3	Confident	88	Confident	48 Å²	48	67.2 Å²	67.2	34%	0.336	39%	0.386	S	S	.	.	H	α-helix	trans	-61.7	-38.1	175.9	61.3	0	0	0	0	112.2	H565 R570 I571	H565-S567 VanDerWaalsContact C-N 3.26Å; H565-S567 PolarHBondContact ND1-OG 3.02Å; H565-S567 PolarHBondContact O-N 3.43Å; S567-R570 PolarHBondContact O-N 3.32Å; S567-I571 VanDerWaalsContact O-CD1 3.31Å; S567-I571 WeakPolarHBondContact O-CD1 3.48Å; S567-I571 VanDerWaalsContact O-CG1 3.24Å; S567-I571 WeakPolarHBondContact O-CG1 3.33Å; S567-I571 PolarHBondContact O-N 3.12Å
568	A	87.4	Confident	87.4	Confident	35 Å²	35	64.9 Å²	64.9	29%	0.289	37%	0.372	S	S	.	.	H	α-helix	trans	-71.3	-41.3	179	0	0	0	0	0	111.5	F563 H565 S566 R570 I571 H572	F563-A568 HydrophobicContact CB-CB 4.28Å; F563-A568 HydrophobicContact CD1-CB 3.73Å; F563-A568 HydrophobicContact CG-CB 4.31Å; H565-A568 WeakPolarHBondContact O-CB 3.32Å; H565-A568 PolarHBondContact O-N 3.3Å; H565-A568 VanDerWaalsContact O-N 3.07Å; S566-A568 VanDerWaalsContact C-N 3.29Å; S566-A568 PolarHBondContact O-N 3.04Å; A568-R570 VanDerWaalsContact C-N 3.35Å; A568-R570 PolarHBondContact O-N 2.92Å; A568-I571 PolarHBondContact O-N 3.25Å; A568-H572 WeakPolarHBondContact O-CB 3.35Å; A568-H572 PolarHBondContact O-N 3.45Å
569	L	90.9	Very high	87	Confident	21 Å²	21	62.4 Å²	62.4	11%	0.11	36%	0.363	C	S	.	.	H	α-helix	trans	-57.3	-47.4	170.8	172.1	59.7	0	0	0	111.1	Q555 C556 F563 S566 I571 H572 Q573	Q555-L569 WeakPolarHBondContact O-CD2 3.4Å; C556-L569 HydrophobicContact CB-CD1 3.61Å; F563-L569 HydrophobicContact CB-CB 4.3Å; F563-L569 HydrophobicContact CD2-CB 3.91Å; F563-L569 HydrophobicContact CD2-CD1 3.95Å; F563-L569 HydrophobicContact CE2-CD1 4.09Å; F563-L569 HydrophobicContact CG-CB 4.2Å; S566-L569 PolarHBondContact O-N 3.44Å; L569-I571 VanDerWaalsContact C-N 3.34Å; L569-I571 PolarHBondContact O-N 2.87Å; L569-H572 PolarHBondContact O-N 3.23Å; L569-Q573 HydrophobicContact CD1-CG 4.02Å; L569-Q573 HydrophobicContact CG-CG 4.39Å; L569-Q573 WeakPolarHBondContact O-CG 3.49Å; L569-Q573 PolarHBondContact O-N 3.43Å
570	R	87.9	Confident	86.4	Confident	162 Å²	162	65.5 Å²	65.5	61%	0.611	37%	0.369	S	S	*	.	H	α-helix	trans	-63.5	-36.6	179.8	-171.1	-179	64.9	176.4	-0.7	113.1	S566 S567 A568	S566-R570 PolarHBondContact O-N 3.39Å; S567-R570 PolarHBondContact O-N 3.32Å; A568-R570 VanDerWaalsContact C-N 3.35Å; A568-R570 PolarHBondContact O-N 2.92Å
571	I	86.2	Confident	85.8	Confident	37 Å²	37	66.2 Å²	66.2	19%	0.19	36%	0.364	C	S	.	.	H	α-helix	trans	-66	-47.2	173.6	-66.7	156.1	0	0	0	109.7	S567 A568 L569 Q573 R574 H593	S567-I571 VanDerWaalsContact O-CD1 3.31Å; S567-I571 WeakPolarHBondContact O-CD1 3.48Å; S567-I571 VanDerWaalsContact O-CG1 3.24Å; S567-I571 WeakPolarHBondContact O-CG1 3.33Å; S567-I571 PolarHBondContact O-N 3.12Å; A568-I571 PolarHBondContact O-N 3.25Å; L569-I571 VanDerWaalsContact C-N 3.34Å; L569-I571 PolarHBondContact O-N 2.87Å; I571-Q573 VanDerWaalsContact C-N 3.33Å; I571-Q573 PolarHBondContact O-N 3.02Å; I571-R574 VanDerWaalsContact O-CB 3.23Å; I571-R574 WeakPolarHBondContact O-CB 3.38Å; I571-R574 PolarHBondContact O-N 3.31Å; I571-R574 VanDerWaalsContact O-N 3.11Å; I571-H593 WeakPolarHBondContact CD1-CD2 3.13Å; I571-H593 HydrophobicContact CG2-CB 3.95Å
572	H	88.1	Confident	85.1	Confident	30 Å²	30	63.7 Å²	63.7	14%	0.139	35%	0.351	C	S	.	.	H	α-helix	trans	-62.2	-35.4	177.7	165	58.3	0	0	0	113.5	C559 F563 A568 L569 R574 V575 H576	C559-H572 PolarHBondContact SG-NE2 3.09Å; F563-H572 HydrophobicContact CE1-CB 3.99Å; F563-H572 HydrophobicContact CE2-CB 4.1Å; F563-H572 AromaticContact CE2-CD2 3.25Å; F563-H572 WeakPolarHBondContact CE2-CD2 3.32Å; F563-H572 AromaticContact CE2-CG 3.83Å; F563-H572 HydrophobicContact CZ-CB 3.49Å; F563-H572 VanDerWaalsContact CZ-CB 3.49Å; F563-H572 AromaticContact CZ-CD2 3.28Å; F563-H572 WeakPolarHBondContact CZ-CD2 3.34Å; F563-H572 AromaticContact CZ-CG 3.36Å; A568-H572 WeakPolarHBondContact O-CB 3.35Å; A568-H572 PolarHBondContact O-N 3.45Å; L569-H572 PolarHBondContact O-N 3.23Å; H572-R574 PolarHBondContact O-N 2.99Å; H572-V575 VanDerWaalsContact O-CB 3.28Å; H572-V575 WeakPolarHBondContact O-CB 2.9Å; H572-V575 WeakPolarHBondContact O-CG2 3.23Å; H572-V575 PolarHBondContact O-N 3.22Å; H572-H576 AromaticContact CE1-CD2 3.67Å; H572-H576 AromaticContact CE1-NE2 3.21Å; H572-H576 PolarHBondContact CE1-NE2 3.25Å; H572-H576 AromaticContact NE2-CD2 3.73Å; H572-H576 AromaticContact NE2-NE2 3.32Å; H572-H576 PolarHBondContact NE2-NE2 3.19Å
573	Q	87.6	Confident	84.2	Confident	91 Å²	91	69.9 Å²	69.9	43%	0.425	37%	0.372	S	S	.	.	H	α-helix	trans	-58.7	-28.8	174.8	-78.2	170.3	-37.5	0	0	112.8	L569 I571 V575 H576 A577	L569-Q573 HydrophobicContact CD1-CG 4.02Å; L569-Q573 HydrophobicContact CG-CG 4.39Å; L569-Q573 WeakPolarHBondContact O-CG 3.49Å; L569-Q573 PolarHBondContact O-N 3.43Å; I571-Q573 VanDerWaalsContact C-N 3.33Å; I571-Q573 PolarHBondContact O-N 3.02Å; Q573-V575 VanDerWaalsContact C-N 3.3Å; Q573-V575 PolarHBondContact O-N 3.23Å; Q573-H576 PolarHBondContact O-N 3.48Å; Q573-H576 VanDerWaalsContact O-N 3.16Å; Q573-A577 PolarHBondContact O-N 2.6Å
574	R	87.8	Confident	83.2	Confident	41 Å²	41	68.4 Å²	68.4	16%	0.155	37%	0.366	C	S	.	.	H	α-helix	trans	-62.9	-35.3	173.4	-63.7	-176.9	167	155	-1.1	113.1	I571 H572 H576 A577 G578 E579 D592	I571-R574 VanDerWaalsContact O-CB 3.23Å; I571-R574 WeakPolarHBondContact O-CB 3.38Å; I571-R574 PolarHBondContact O-N 3.31Å; I571-R574 VanDerWaalsContact O-N 3.11Å; H572-R574 PolarHBondContact O-N 2.99Å; R574-H576 PolarHBondContact O-N 3.13Å; R574-A577 CarbonylContact O-C 3.41Å; R574-A577 WeakPolarHBondContact O-CA 3.48Å; R574-A577 PolarHBondContact O-N 3.2Å; R574-G578 PolarHBondContact O-N 3.41Å; R574-E579 HydrophobicContact CB-CB 3.7Å; R574-E579 HydrophobicContact CG-CB 3.86Å; R574-E579 IonicContact NE-OE2 3.52Å; R574-E579 PolarHBondContact NE-OE2 2.9Å; R574-E579 PolarHBondContact O-N 3.41Å; R574-E579 VanDerWaalsContact O-N 3.08Å; R574-D592 HydrophobicContact CB-CB 4.47Å; R574-D592 WeakPolarHBondContact CD-O 3.44Å; R574-D592 PolarHBondContact NH1-O 3.17Å
575	V	85.8	Confident	82.1	Confident	93 Å²	93	73.8 Å²	73.8	56%	0.564	39%	0.386	S	S	*	.	H	α-helix	trans	-60.1	-38.4	175.9	-171.7	0	0	0	0	110.1	H572 Q573 A577	H572-V575 VanDerWaalsContact O-CB 3.28Å; H572-V575 WeakPolarHBondContact O-CB 2.9Å; H572-V575 WeakPolarHBondContact O-CG2 3.23Å; H572-V575 PolarHBondContact O-N 3.22Å; Q573-V575 VanDerWaalsContact C-N 3.3Å; Q573-V575 PolarHBondContact O-N 3.23Å; V575-A577 VanDerWaalsContact C-N 3.25Å; V575-A577 PolarHBondContact O-N 2.91Å
576	H	85.3	Confident	80.9	Confident	68 Å²	68	76.4 Å²	76.4	32%	0.315	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	3.5	173.9	-65.8	-66	0	0	0	115.3	K558 C559 H572 Q573 R574	K558-H576 HydrophobicContact CD-CB 3.6Å; K558-H576 PolarHBondContact NZ-O 3.33Å; C559-H576 PolarHBondContact SG-NE2 3.29Å; H572-H576 AromaticContact CE1-CD2 3.67Å; H572-H576 AromaticContact CE1-NE2 3.21Å; H572-H576 PolarHBondContact CE1-NE2 3.25Å; H572-H576 AromaticContact NE2-CD2 3.73Å; H572-H576 AromaticContact NE2-NE2 3.32Å; H572-H576 PolarHBondContact NE2-NE2 3.19Å; Q573-H576 PolarHBondContact O-N 3.48Å; Q573-H576 VanDerWaalsContact O-N 3.16Å; R574-H576 PolarHBondContact O-N 3.13Å
577	A	83.1	Confident	79.8	Confident	61 Å²	61	79.9 Å²	79.9	50%	0.504	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-4.1	176.9	0	0	0	0	0	112.7	Q573 R574 V575 E579	Q573-A577 PolarHBondContact O-N 2.6Å; R574-A577 CarbonylContact O-C 3.41Å; R574-A577 WeakPolarHBondContact O-CA 3.48Å; R574-A577 PolarHBondContact O-N 3.2Å; V575-A577 VanDerWaalsContact C-N 3.25Å; V575-A577 PolarHBondContact O-N 2.91Å; A577-E579 HydrophobicContact CB-CB 4.41Å; A577-E579 HydrophobicContact CB-CG 4.14Å; A577-E579 PolarHBondContact O-N 3.24Å
578	G	79.3	Confident	78.3	Confident	59 Å²	59	87.1 Å²	87.1	61%	0.608	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	2.8	-169.9	0	0	0	0	0	114.6	R574 K580	R574-G578 PolarHBondContact O-N 3.41Å; G578-K580 PolarHBondContact O-N 3.19Å
579	E	79.7	Confident	77.4	Confident	100 Å²	100	92.1 Å²	92.1	47%	0.467	44%	0.44	S	S	.	.			trans	-60.9	117.5	-174.7	-91.4	-176.8	-133.6	0	0	111.7	R574 A577	R574-E579 HydrophobicContact CB-CB 3.7Å; R574-E579 HydrophobicContact CG-CB 3.86Å; R574-E579 IonicContact NE-OE2 3.52Å; R574-E579 PolarHBondContact NE-OE2 2.9Å; R574-E579 PolarHBondContact O-N 3.41Å; R574-E579 VanDerWaalsContact O-N 3.08Å; A577-E579 HydrophobicContact CB-CB 4.41Å; A577-E579 HydrophobicContact CB-CG 4.14Å; A577-E579 PolarHBondContact O-N 3.24Å
580	K	78.8	Confident	76.2	Confident	130 Å²	130	92 Å²	92	57%	0.565	45%	0.445	S	S	*	.			trans	-125.3	72.5	176.6	-76.6	169.8	166.7	-175.7	0	111.1	G578 Y582 G590 F591	G578-K580 PolarHBondContact O-N 3.19Å; K580-Y582 VanDerWaalsContact C-N 3.29Å; K580-Y582 PolarHBondContact O-N 3.42Å; K580-G590 VanDerWaalsContact CD-O 3.22Å; K580-G590 WeakPolarHBondContact CD-O 3.43Å; K580-G590 WeakPolarHBondContact CE-O 3.41Å; K580-F591 CarbonylContact C-O 3.59Å; K580-F591 VanDerWaalsContact C-O 3.3Å; K580-F591 VanDerWaalsContact CA-O 3.32Å; K580-F591 WeakPolarHBondContact CA-O 3.46Å
581	P	75.2	Confident	75.4	Confident	68 Å²	68	86 Å²	86	44%	0.442	42%	0.423	S	S	.	.			trans	-70.3	-23.2	-171.9	-18.4	33.8	0	0	0	113.8	F591	P581-F591 WeakPolarHBondContact CD-O 3.36Å
582	Y	73.9	Confident	74.7	Confident	75 Å²	75	86 Å²	86	29%	0.294	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	95.6	-177.7	-51.6	-73.1	0	0	0	109.5	K580 G590 F591 D592 H593 N594	K580-Y582 VanDerWaalsContact C-N 3.29Å; K580-Y582 PolarHBondContact O-N 3.42Å; Y582-G590 WeakPolarHBondContact O-CA 3.49Å; Y582-F591 PolarHBondContact N-O 3.14Å; Y582-F591 PolarHBondContact O-N 3.39Å; Y582-D592 WeakPolarHBondContact CE2-O 3.25Å; Y582-H593 VanDerWaalsContact CD2-C 3.49Å; Y582-N594 HydrophobicContact CD1-CB 3.98Å; Y582-N594 HydrophobicContact CD2-CB 4.35Å; Y582-N594 HydrophobicContact CE1-CB 3.91Å; Y582-N594 HydrophobicContact CE2-CB 4.26Å; Y582-N594 HydrophobicContact CG-CB 4.21Å
583	K	71	Confident	74.2	Confident	152 Å²	152	87.6 Å²	87.6	66%	0.661	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.8	174.7	-61.6	-176.9	-178.1	-179	0	110
584	C	69.1	Low	73.3	Confident	4 Å²	4	86.3 Å²	86.3	3%	0.027	43%	0.427	C	S	.	.			trans	-79.9	123.2	163.6	-174.2	0	0	0	0	109	Y588 K589 F591 L597 H601	C584-Y588 VanDerWaalsContact O-CA 3.26Å; C584-Y588 WeakPolarHBondContact O-CA 3.46Å; C584-Y588 PolarHBondContact O-N 2.97Å; C584-K589 PolarHBondContact N-O 3.31Å; C584-F591 HydrophobicContact CB-CE2 4.3Å; C584-L597 HydrophobicContact CB-CD1 3.45Å; C584-L597 VanDerWaalsContact CB-CD1 3.45Å; C584-H601 PolarHBondContact SG-CE1 3.23Å; C584-H601 PolarHBondContact SG-NE2 3.31Å
585	H	62.4	Low	72.4	Confident	156 Å²	156	86.6 Å²	86.6	72%	0.722	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-28.2	177.8	-97.1	-88	0	0	0	113.2
586	E	62.8	Low	71.5	Confident	119 Å²	119	86 Å²	86	56%	0.556	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-29.4	-179.4	-67.1	161.9	-169.3	0	0	112.9	H601	E586-H601 VanDerWaalsContact CD-CE1 3.4Å; E586-H601 IonicContact OE1-CE1 3.51Å; E586-H601 IonicContact OE1-ND1 3.59Å; E586-H601 IonicContact OE2-CE1 2.8Å; E586-H601 PolarHBondContact OE2-CE1 3.36Å; E586-H601 IonicContact OE2-ND1 3.35Å; E586-H601 PolarHBondContact OE2-ND1 3.21Å
587	Y	64.6	Low	70.4	Confident	128 Å²	128	83.9 Å²	83.9	50%	0.502	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	3.9	-172.6	-57.5	-67.4	0	0	0	114.6	K589	Y587-K589 PolarHBondContact O-N 3.5Å
588	Y	57.5	Low	69.4	Low	199 Å²	199	86.5 Å²	86.5	78%	0.78	42%	0.418	S	S	*	.			trans	52.2	5.1	-173.5	-67.4	-86.5	0	0	0	116.5	C584 G590	C584-Y588 VanDerWaalsContact O-CA 3.26Å; C584-Y588 WeakPolarHBondContact O-CA 3.46Å; C584-Y588 PolarHBondContact O-N 2.97Å; Y588-G590 PolarHBondContact O-N 3.12Å
589	K	68.4	Low	68.5	Low	140 Å²	140	88.2 Å²	88.2	61%	0.609	41%	0.414	S	S	*	.			trans	-73.9	124.8	178.8	-76	171.2	178.1	168.9	0	110.7	C584 Y587 F591	C584-K589 PolarHBondContact N-O 3.31Å; Y587-K589 PolarHBondContact O-N 3.5Å; K589-F591 HydrophobicContact CB-CE2 4.2Å; K589-F591 HydrophobicContact CB-CZ 4.24Å
590	G	65.9	Low	67.5	Low	20 Å²	20	86.9 Å²	86.9	21%	0.206	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	138.3	174.9	0	0	0	0	0	113	K580 Y582 Y588	K580-G590 VanDerWaalsContact CD-O 3.22Å; K580-G590 WeakPolarHBondContact CD-O 3.43Å; K580-G590 WeakPolarHBondContact CE-O 3.41Å; Y582-G590 WeakPolarHBondContact O-CA 3.49Å; Y588-G590 PolarHBondContact O-N 3.12Å
591	F	71.8	Confident	66.5	Low	36 Å²	36	83.4 Å²	83.4	16%	0.158	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	149	179.8	-57.8	-85.3	0	0	0	112.1	K580 P581 Y582 C584 K589 H596 L597	K580-F591 CarbonylContact C-O 3.59Å; K580-F591 VanDerWaalsContact C-O 3.3Å; K580-F591 VanDerWaalsContact CA-O 3.32Å; K580-F591 WeakPolarHBondContact CA-O 3.46Å; P581-F591 WeakPolarHBondContact CD-O 3.36Å; Y582-F591 PolarHBondContact N-O 3.14Å; Y582-F591 PolarHBondContact O-N 3.39Å; C584-F591 HydrophobicContact CB-CE2 4.3Å; K589-F591 HydrophobicContact CB-CE2 4.2Å; K589-F591 HydrophobicContact CB-CZ 4.24Å; F591-H596 HydrophobicContact CB-CB 4.14Å; F591-H596 HydrophobicContact CD1-CB 3.5Å; F591-H596 HydrophobicContact CE1-CB 4.11Å; F591-H596 HydrophobicContact CG-CB 3.96Å; F591-L597 HydrophobicContact CD2-CB 4.22Å; F591-L597 HydrophobicContact CD2-CD1 4.29Å; F591-L597 HydrophobicContact CE2-CD1 4.22Å
592	D	70.4	Confident	65.4	Low	37 Å²	37	90.4 Å²	90.4	20%	0.198	41%	0.413	C	S	.	.	S	Bend	trans	-71	-30	172.8	61.9	-26.2	0	0	0	113.1	R574 Y582 H596	R574-D592 HydrophobicContact CB-CB 4.47Å; R574-D592 WeakPolarHBondContact CD-O 3.44Å; R574-D592 PolarHBondContact NH1-O 3.17Å; Y582-D592 WeakPolarHBondContact CE2-O 3.25Å; D592-H596 IonicContact OD1-CE1 3.31Å; D592-H596 PolarHBondContact OD1-CE1 2.98Å; D592-H596 IonicContact OD1-ND1 3.74Å; D592-H596 PolarHBondContact OD1-ND1 3.11Å
593	H	77.1	Confident	64.4	Low	63 Å²	63	96.4 Å²	96.4	29%	0.292	44%	0.435	S	S	.	.	S	Bend	trans	-137.5	139.2	-173.6	-166.7	-118.4	0	0	0	113.8	I571 Y582 S595 H596	I571-H593 WeakPolarHBondContact CD1-CD2 3.13Å; I571-H593 HydrophobicContact CG2-CB 3.95Å; Y582-H593 VanDerWaalsContact CD2-C 3.49Å; H593-S595 VanDerWaalsContact C-N 3.32Å; H593-S595 PolarHBondContact CE1-OG 3.26Å; H593-S595 PolarHBondContact ND1-OG 3.15Å; H593-S595 PolarHBondContact O-N 3.2Å; H593-H596 WeakPolarHBondContact O-CB 3.46Å; H593-H596 PolarHBondContact O-N 3.45Å; H593-H596 VanDerWaalsContact O-N 3.13Å
594	N	68.9	Low	63.2	Low	64 Å²	64	91 Å²	91	34%	0.342	42%	0.422	S	S	.	.	H	α-helix	trans	-67.5	-25.1	-173.5	-168.7	19.8	0	0	0	114.1	Y582 H596 L597 H598	Y582-N594 HydrophobicContact CD1-CB 3.98Å; Y582-N594 HydrophobicContact CD2-CB 4.35Å; Y582-N594 HydrophobicContact CE1-CB 3.91Å; Y582-N594 HydrophobicContact CE2-CB 4.26Å; Y582-N594 HydrophobicContact CG-CB 4.21Å; N594-H596 VanDerWaalsContact C-N 3.25Å; N594-H596 PolarHBondContact O-N 3Å; N594-L597 WeakPolarHBondContact O-CB 3.49Å; N594-L597 PolarHBondContact O-N 3.22Å; N594-H598 PolarHBondContact O-N 2.97Å; N594-H598 VanDerWaalsContact O-N 3.1Å; N594-H598 PolarHBondContact O-ND1 3.28Å; N594-H598 PolarHBondContact OD1-CE1 3.4Å; N594-H598 PolarHBondContact OD1-ND1 3.43Å
595	S	69.4	Low	62	Low	47 Å²	47	97.2 Å²	97.2	33%	0.329	46%	0.455	S	S	.	.	H	α-helix	trans	-67.9	-27.3	174.8	68.8	0	0	0	0	112.4	H593 N599	H593-S595 VanDerWaalsContact C-N 3.32Å; H593-S595 PolarHBondContact CE1-OG 3.26Å; H593-S595 PolarHBondContact ND1-OG 3.15Å; H593-S595 PolarHBondContact O-N 3.2Å; S595-N599 VanDerWaalsContact O-CB 3.26Å; S595-N599 WeakPolarHBondContact O-CB 3.46Å; S595-N599 PolarHBondContact O-N 3.46Å
596	H	67.7	Low	60.7	Low	81 Å²	81	100.1 Å²	100.1	38%	0.375	48%	0.475	S	S	.	.	H	α-helix	trans	-68.4	-37.9	174.5	-58.4	152	0	0	0	110.7	F591 D592 H593 N594 N600	F591-H596 HydrophobicContact CB-CB 4.14Å; F591-H596 HydrophobicContact CD1-CB 3.5Å; F591-H596 HydrophobicContact CE1-CB 4.11Å; F591-H596 HydrophobicContact CG-CB 3.96Å; D592-H596 IonicContact OD1-CE1 3.31Å; D592-H596 PolarHBondContact OD1-CE1 2.98Å; D592-H596 IonicContact OD1-ND1 3.74Å; D592-H596 PolarHBondContact OD1-ND1 3.11Å; H593-H596 WeakPolarHBondContact O-CB 3.46Å; H593-H596 PolarHBondContact O-N 3.45Å; H593-H596 VanDerWaalsContact O-N 3.13Å; N594-H596 VanDerWaalsContact C-N 3.25Å; N594-H596 PolarHBondContact O-N 3Å; H596-N600 PolarHBondContact O-N 3.17Å; H596-N600 PolarHBondContact O-ND2 2.99Å
597	L	61.8	Low	60.6	Low	23 Å²	23	99.2 Å²	99.2	12%	0.12	47%	0.471	C	S	.	.	H	α-helix	trans	-62.1	-53.9	172.3	-179.3	62.5	0	0	0	111.5	C584 F591 N594 N599 N600 H601	C584-L597 HydrophobicContact CB-CD1 3.45Å; C584-L597 VanDerWaalsContact CB-CD1 3.45Å; F591-L597 HydrophobicContact CD2-CB 4.22Å; F591-L597 HydrophobicContact CD2-CD1 4.29Å; F591-L597 HydrophobicContact CE2-CD1 4.22Å; N594-L597 WeakPolarHBondContact O-CB 3.49Å; N594-L597 PolarHBondContact O-N 3.22Å; L597-N599 VanDerWaalsContact C-N 3.34Å; L597-N599 PolarHBondContact O-N 3.11Å; L597-N600 PolarHBondContact O-N 3.39Å; L597-N600 VanDerWaalsContact O-N 3.11Å; L597-H601 WeakPolarHBondContact CD1-NE2 3.44Å; L597-H601 PolarHBondContact O-CD2 2.89Å; L597-H601 PolarHBondContact O-N 3.3Å
598	H	61	Low	60.4	Low	115 Å²	115	97.7 Å²	97.7	53%	0.532	47%	0.469	S	S	.	.	H	α-helix	trans	-61.3	-38.2	-179	-79.9	60.9	0	0	0	113.3	N594 N600 R602	N594-H598 PolarHBondContact O-N 2.97Å; N594-H598 VanDerWaalsContact O-N 3.1Å; N594-H598 PolarHBondContact O-ND1 3.28Å; N594-H598 PolarHBondContact OD1-CE1 3.4Å; N594-H598 PolarHBondContact OD1-ND1 3.43Å; H598-N600 VanDerWaalsContact C-N 3.29Å; H598-N600 PolarHBondContact O-N 3.24Å; H598-R602 PolarHBondContact O-N 3.09Å
599	N	61.3	Low	60.6	Low	95 Å²	95	92.1 Å²	92.1	51%	0.508	45%	0.452	S	S	.	.	H	α-helix	trans	-71.3	-21.3	178	-72.6	-5.1	0	0	0	113.3	S595 L597 R603	S595-N599 VanDerWaalsContact O-CB 3.26Å; S595-N599 WeakPolarHBondContact O-CB 3.46Å; S595-N599 PolarHBondContact O-N 3.46Å; L597-N599 VanDerWaalsContact C-N 3.34Å; L597-N599 PolarHBondContact O-N 3.11Å; N599-R603 WeakPolarHBondContact O-CG 3.44Å
600	N	58.1	Low	60.1	Low	72 Å²	72	89.2 Å²	89.2	39%	0.385	44%	0.443	S	S	.	.	H	α-helix	trans	-81.1	-44.7	173.9	-83	-82.9	0	0	0	111.8	H596 L597 H598 R602 R603 G604	H596-N600 PolarHBondContact O-N 3.17Å; H596-N600 PolarHBondContact O-ND2 2.99Å; L597-N600 PolarHBondContact O-N 3.39Å; L597-N600 VanDerWaalsContact O-N 3.11Å; H598-N600 VanDerWaalsContact C-N 3.29Å; H598-N600 PolarHBondContact O-N 3.24Å; N600-R602 PolarHBondContact O-N 2.88Å; N600-R603 CarbonylContact O-C 3.57Å; N600-R603 WeakPolarHBondContact O-CA 3.28Å; N600-R603 PolarHBondContact O-N 3.16Å; N600-G604 PolarHBondContact O-N 3.03Å
601	H	57.5	Low	59.7	Low	58 Å²	58	93.6 Å²	93.6	27%	0.269	46%	0.458	S	S	.	.	H	α-helix	trans	-60	-31.7	173.8	-68.7	-78.4	0	0	0	112.3	C584 E586 L597 R603 N605	C584-H601 PolarHBondContact SG-CE1 3.23Å; C584-H601 PolarHBondContact SG-NE2 3.31Å; E586-H601 VanDerWaalsContact CD-CE1 3.4Å; E586-H601 IonicContact OE1-CE1 3.51Å; E586-H601 IonicContact OE1-ND1 3.59Å; E586-H601 IonicContact OE2-CE1 2.8Å; E586-H601 PolarHBondContact OE2-CE1 3.36Å; E586-H601 IonicContact OE2-ND1 3.35Å; E586-H601 PolarHBondContact OE2-ND1 3.21Å; L597-H601 WeakPolarHBondContact CD1-NE2 3.44Å; L597-H601 PolarHBondContact O-CD2 2.89Å; L597-H601 PolarHBondContact O-N 3.3Å; H601-R603 VanDerWaalsContact C-N 3.28Å; H601-R603 PolarHBondContact O-N 2.8Å; H601-N605 PolarHBondContact O-ND2 3.44Å
602	R	51.8	Low	58.9	Low	215 Å²	215	97.4 Å²	97.4	81%	0.811	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-10.3	170.8	-95.9	-170.4	171.6	-160.3	-3.9	115.6	H598 N600	H598-R602 PolarHBondContact O-N 3.09Å; N600-R602 PolarHBondContact O-N 2.88Å
603	R	52.9	Low	58.1	Low	201 Å²	201	101.7 Å²	101.7	76%	0.758	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	-14.3	178.6	-79.7	-178.8	168.4	-169.6	-5	113.9	N599 N600 H601 N605	N599-R603 WeakPolarHBondContact O-CG 3.44Å; N600-R603 CarbonylContact O-C 3.57Å; N600-R603 WeakPolarHBondContact O-CA 3.28Å; N600-R603 PolarHBondContact O-N 3.16Å; H601-R603 VanDerWaalsContact C-N 3.28Å; H601-R603 PolarHBondContact O-N 2.8Å; R603-N605 VanDerWaalsContact C-N 3.33Å
604	G	47.4	Very low	56.6	Low	37 Å²	37	104.7 Å²	104.7	38%	0.381	51%	0.513	S	S	.	.	S	Bend	trans	-93.1	18.4	170.2	0	0	0	0	0	114.2	N600	N600-G604 PolarHBondContact O-N 3.03Å
605	N	42.9	Very low	55.6	Low	136 Å²	136	108.1 Å²	108.1	73%	0.727	53%	0.528	S	S	*	.			trans	-124.5	33.9	174.4	-78.3	-86.4	0	0	0	110.4	H601 R603	H601-N605 PolarHBondContact O-ND2 3.44Å; R603-N605 VanDerWaalsContact C-N 3.33Å
606	L	35.4	Very low	54.4	Low	217 Å²	217	113.6 Å²	113.6	100%	1.136	55%	0.546	S	S	*	.			trans	-141.7	0	170.7	-78.1	173.2	0	0	0	107.1

Retrieved 606 of 606 residues in 116.9 ms (Link to these results)

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