A0A087XYH8_POEFO Loading...

Peptidoglycan recognition protein 6

AlphaFold DB , UniProt , Accession A0A087XYH8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 470 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.4	Very low	32.2	Very low	244 Å²	244	150.7 Å²	150.7	100%	1.202	80%	0.803	S	S	*	*				0	128.2	0	-70.7	165.4	68.1	0	0	106.4
2	D	35.4	Very low	32.3	Very low	127 Å²	127	149.8 Å²	149.8	68%	0.679	80%	0.797	S	S	*	*			cis	-172.6	149	-5.3	-159.6	14.9	0	0	0	104.4
3	K	34.5	Very low	32.1	Very low	185 Å²	185	149.5 Å²	149.5	80%	0.804	80%	0.795	S	S	*	*			trans	65.3	122.6	160.9	-63.2	170.2	-174.6	174.5	0	121.5
4	G	29.5	Very low	32.3	Very low	70 Å²	70	146.3 Å²	146.3	72%	0.722	78%	0.783	S	S	*	*				119.3	111.7	118.5	0	0	0	0	0	119
5	W	34.2	Very low	32.2	Very low	240 Å²	240	145.6 Å²	145.6	91%	0.909	78%	0.778	S	S	*	*			trans	59	140.6	150.1	-107.1	-39.4	0	0	0	117.8
6	C	25	Very low	32.4	Very low	86 Å²	86	146.3 Å²	146.3	58%	0.581	78%	0.781	S	S	*	*			cis	-168.5	134.4	34.2	-147	0	0	0	0	114.2
7	K	29.5	Very low	32.3	Very low	169 Å²	169	144.2 Å²	144.2	74%	0.735	77%	0.774	S	S	*	*			trans	54.8	126.5	142.9	-68.2	174.5	-171.5	-178.4	0	120.1
8	L	29.2	Very low	32.5	Very low	165 Å²	165	141.1 Å²	141.1	86%	0.864	77%	0.766	S	S	*	*				-161.4	127.8	91.4	-120	101.8	0	0	0	111.9
9	T	36.1	Very low	32.6	Very low	129 Å²	129	139.9 Å²	139.9	79%	0.791	76%	0.764	S	S	*	*			trans	-66.6	132.2	165.6	40.4	0	0	0	0	110.9
10	L	32	Very low	33	Very low	153 Å²	153	140 Å²	140	80%	0.801	76%	0.763	S	S	*	*			trans	-125.9	98.8	152.7	-148.7	81.3	0	0	0	107.9	L12	L10-L12 HydrophobicContact CD2-CD1 4.22Å; L10-L12 PolarHBondContact O-N 3.2Å
11	A	36.6	Very low	33.2	Very low	90 Å²	90	137.5 Å²	137.5	74%	0.744	76%	0.761	S	S	*	*			trans	-69.5	104.8	168	0	0	0	0	0	108	L13	A11-L13 VanDerWaalsContact C-N 3.34Å; A11-L13 PolarHBondContact O-N 3.2Å
12	L	33.1	Very low	33.8	Very low	140 Å²	140	133.6 Å²	133.6	73%	0.733	74%	0.74	S	S	*	*			trans	-80.4	90.9	161.4	-118.2	98	0	0	0	107.5	L10 V14	L10-L12 HydrophobicContact CD2-CD1 4.22Å; L10-L12 PolarHBondContact O-N 3.2Å; L12-V14 HydrophobicContact CD2-CG2 3.82Å; L12-V14 PolarHBondContact O-N 2.97Å
13	L	30.3	Very low	34.6	Very low	146 Å²	146	130.5 Å²	130.5	76%	0.764	73%	0.732	S	S	*	*			trans	-66.3	86.2	155.9	-113.9	131.4	0	0	0	106.7	A11 L15	A11-L13 VanDerWaalsContact C-N 3.34Å; A11-L13 PolarHBondContact O-N 3.2Å; L13-L15 HydrophobicContact CD2-CG 4.38Å; L13-L15 PolarHBondContact O-N 2.8Å
14	V	34.5	Very low	36.3	Very low	104 Å²	104	126.8 Å²	126.8	63%	0.63	73%	0.73	S	S	*	*			trans	-72	90.2	159.8	-179.6	0	0	0	0	105.3	L12 L16	L12-V14 HydrophobicContact CD2-CG2 3.82Å; L12-V14 PolarHBondContact O-N 2.97Å; V14-L16 PolarHBondContact O-N 2.89Å
15	L	31.1	Very low	38.8	Very low	136 Å²	136	125 Å²	125	71%	0.712	70%	0.702	S	S	*	*			trans	-55.9	98.1	156.2	-81.3	157.4	0	0	0	106.1	L13 V17	L13-L15 HydrophobicContact CD2-CG 4.38Å; L13-L15 PolarHBondContact O-N 2.8Å; L15-V17 PolarHBondContact O-N 2.97Å
16	L	35.5	Very low	41.5	Very low	157 Å²	157	114 Å²	114	82%	0.822	66%	0.662	S	S	*	*			trans	-58.3	86.8	152.7	-88.4	152.9	0	0	0	105.5	V14 S18	V14-L16 PolarHBondContact O-N 2.89Å; L16-S18 PolarHBondContact O-N 2.82Å
17	V	30.4	Very low	44.8	Very low	110 Å²	110	112 Å²	112	67%	0.667	64%	0.642	S	S	*	*			trans	-64.8	91.6	154.7	-179.6	0	0	0	0	103.5	L15 T19	L15-V17 PolarHBondContact O-N 2.97Å; V17-T19 HydrophobicContact CG1-CG2 4.06Å; V17-T19 PolarHBondContact O-N 2.88Å
18	S	36.3	Very low	48	Very low	89 Å²	89	105.9 Å²	105.9	62%	0.622	62%	0.616	S	S	*	*			trans	-56.1	92.9	156.1	39.2	0	0	0	0	105.7	L16 N20	L16-S18 PolarHBondContact O-N 2.82Å; S18-N20 PolarHBondContact O-N 2.78Å
19	T	34.4	Very low	51.3	Low	119 Å²	119	98 Å²	98	73%	0.73	58%	0.575	S	S	*	*			trans	-66.4	79.8	156.4	54.7	0	0	0	0	105.3	V17 A21	V17-T19 HydrophobicContact CG1-CG2 4.06Å; V17-T19 PolarHBondContact O-N 2.88Å; T19-A21 PolarHBondContact O-N 2.94Å
20	N	39.5	Very low	54.1	Low	141 Å²	141	94.8 Å²	94.8	75%	0.754	55%	0.551	S	S	*	*			trans	-63.4	74.4	149.9	-80.7	-9.3	0	0	0	105.2	S18 E22	S18-N20 PolarHBondContact O-N 2.78Å; N20-E22 PolarHBondContact O-N 2.8Å
21	A	38	Very low	57.1	Low	87 Å²	87	88.5 Å²	88.5	72%	0.719	52%	0.518	S	S	*	.			trans	-61.6	98.6	150.1	0	0	0	0	0	103.2	T19 A23	T19-A21 PolarHBondContact O-N 2.94Å; A21-A23 VanDerWaalsContact C-N 3.28Å; A21-A23 PolarHBondContact O-N 3.45Å
22	E	45.3	Very low	60	Low	163 Å²	163	84.2 Å²	84.2	76%	0.762	48%	0.483	S	S	*	.			trans	-51.4	104.2	166.8	-75.8	-179.7	157.7	0	0	105.6	N20 S24	N20-E22 PolarHBondContact O-N 2.8Å; E22-S24 VanDerWaalsContact C-N 3.27Å; E22-S24 PolarHBondContact O-N 2.85Å
23	A	52	Low	63	Low	61 Å²	61	78.2 Å²	78.2	50%	0.504	45%	0.451	S	S	.	.			trans	-63.1	100.5	174.4	0	0	0	0	0	105.7	A21 F25	A21-A23 VanDerWaalsContact C-N 3.28Å; A21-A23 PolarHBondContact O-N 3.45Å; A23-F25 VanDerWaalsContact C-N 3.31Å; A23-F25 WeakPolarHBondContact O-CD2 3.32Å; A23-F25 PolarHBondContact O-N 3.34Å
24	S	70.8	Confident	66.2	Low	108 Å²	108	77.6 Å²	77.6	76%	0.755	44%	0.439	S	S	*	.			trans	-64.9	97.1	171.8	173.2	0	0	0	0	106.9	E22 S26	E22-S24 VanDerWaalsContact C-N 3.27Å; E22-S24 PolarHBondContact O-N 2.85Å; S24-S26 PolarHBondContact O-N 2.81Å
25	F	81.1	Confident	69.1	Low	32 Å²	32	72.7 Å²	72.7	14%	0.14	41%	0.409	C	S	.	.			trans	-62.7	128.1	173.6	-63.9	-76.6	0	0	0	109.2	A23 D31 R34 A35 L83 Y86	A23-F25 VanDerWaalsContact C-N 3.31Å; A23-F25 WeakPolarHBondContact O-CD2 3.32Å; A23-F25 PolarHBondContact O-N 3.34Å; F25-D31 HydrophobicContact CB-CB 4.39Å; F25-D31 HydrophobicContact CD1-CB 4.16Å; F25-D31 WeakPolarHBondContact CD1-O 3.35Å; F25-R34 HydrophobicContact CE1-CB 4.46Å; F25-A35 HydrophobicContact CD1-CB 4.05Å; F25-A35 HydrophobicContact CE1-CB 3.7Å; F25-A35 HydrophobicContact CE2-CB 4.27Å; F25-A35 HydrophobicContact CG-CB 4.47Å; F25-A35 HydrophobicContact CZ-CB 3.83Å; F25-L83 HydrophobicContact CE2-CD2 3.69Å; F25-L83 HydrophobicContact CZ-CD2 3.97Å; F25-Y86 HydrophobicContact CB-CD1 4.34Å; F25-Y86 HydrophobicContact CB-CD2 3.47Å; F25-Y86 VanDerWaalsContact CB-CD2 3.47Å; F25-Y86 HydrophobicContact CB-CE1 4.15Å; F25-Y86 HydrophobicContact CB-CE2 3.22Å; F25-Y86 HydrophobicContact CB-CG 4.02Å; F25-Y86 HydrophobicContact CD2-CD1 4.25Å; F25-Y86 HydrophobicContact CD2-CD2 4.31Å; F25-Y86 HydrophobicContact CD2-CG 4.05Å; F25-Y86 HydrophobicContact CG-CD1 4.32Å; F25-Y86 HydrophobicContact CG-CD2 4.2Å; F25-Y86 HydrophobicContact CG-CE1 4.29Å; F25-Y86 HydrophobicContact CG-CE2 4.17Å; F25-Y86 HydrophobicContact CG-CG 4.26Å
26	S	90	Very high	72.2	Confident	9 Å²	9	66.2 Å²	66.2	6%	0.063	38%	0.375	C	S	.	.			trans	-81.7	-179.1	169.3	76.8	0	0	0	0	110.7	S24 H28 D31 Y86	S24-S26 PolarHBondContact O-N 2.81Å; S26-H28 PolarHBondContact O-N 3.46Å; S26-H28 WeakPolarHBondContact OG-CB 3.5Å; S26-H28 PolarHBondContact OG-CD2 2.68Å; S26-H28 PolarHBondContact OG-N 3.01Å; S26-D31 VanDerWaalsContact CB-OD2 3.27Å; S26-D31 WeakPolarHBondContact CB-OD2 3.49Å; S26-D31 PolarHBondContact N-OD2 3.37Å; S26-D31 PolarHBondContact OG-OD2 3.4Å; S26-Y86 WeakPolarHBondContact O-CE2 3.2Å; S26-Y86 PolarHBondContact O-OH 2.82Å; S26-Y86 VanDerWaalsContact O-OH 3.06Å
27	Y	95.1	Very high	75	Confident	44 Å²	44	63.1 Å²	63.1	17%	0.173	36%	0.355	C	S	.	.	S	Bend	trans	-87.6	26.1	170.9	-62.4	-70.9	0	0	0	113.4	K89 A90 V105 L106 W163 P169 Q170	Y27-K89 HydrophobicContact CE1-CB 4.34Å; Y27-A90 HydrophobicContact CE1-CB 4.48Å; Y27-V105 CarbonylContact O-C 3.57Å; Y27-V105 WeakPolarHBondContact O-CA 3.28Å; Y27-V105 VanDerWaalsContact O-CB 3.26Å; Y27-V105 WeakPolarHBondContact O-CB 3.32Å; Y27-L106 PolarHBondContact O-N 3.36Å; Y27-W163 HydrophobicContact CD2-CZ3 4.25Å; Y27-W163 HydrophobicContact CG-CH2 4.24Å; Y27-W163 HydrophobicContact CG-CZ3 4.3Å; Y27-P169 WeakPolarHBondContact CD2-O 3.47Å; Y27-P169 PolarHBondContact N-O 2.85Å; Y27-Q170 VanDerWaalsContact CE2-O 3.27Å; Y27-Q170 WeakPolarHBondContact CE2-O 3.43Å
28	H	96.8	Very high	78	Confident	41 Å²	41	61.2 Å²	61.2	19%	0.19	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-77.1	143.7	165.1	-76.7	-60.7	0	0	0	111.4	S26 E30 D31 F32 L106 V166 T167 P169	S26-H28 PolarHBondContact O-N 3.46Å; S26-H28 WeakPolarHBondContact OG-CB 3.5Å; S26-H28 PolarHBondContact OG-CD2 2.68Å; S26-H28 PolarHBondContact OG-N 3.01Å; H28-E30 PolarHBondContact O-N 3.26Å; H28-D31 PolarHBondContact O-N 3.35Å; H28-D31 VanDerWaalsContact O-N 3.14Å; H28-F32 PolarHBondContact O-N 3.37Å; H28-F32 VanDerWaalsContact O-N 3.07Å; H28-L106 CarbonylContact C-O 3.28Å; H28-V166 PolarHBondContact CE1-O 3.41Å; H28-V166 PolarHBondContact NE2-O 2.81Å; H28-T167 PolarHBondContact NE2-O 2.97Å; H28-P169 VanDerWaalsContact CD2-CD 3.43Å; H28-P169 WeakPolarHBondContact CD2-CD 3.3Å; H28-P169 WeakPolarHBondContact NE2-CD 3.19Å
29	M	97.5	Very high	80.7	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.3	-33.9	176.3	179.4	57.5	77.6	0	0	111.8	D31 F32 I33 V105 L106 T107 V113 L118 Y217	M29-D31 VanDerWaalsContact C-N 3.33Å; M29-D31 PolarHBondContact O-N 3.42Å; M29-F32 WeakPolarHBondContact O-CB 3.32Å; M29-F32 PolarHBondContact O-N 3.14Å; M29-F32 HydrophobicContact SD-CB 4.36Å; M29-F32 HydrophobicContact SD-CD1 3.99Å; M29-I33 HydrophobicContact CG-CD1 3.82Å; M29-I33 HydrophobicContact CG-CG1 4.31Å; M29-I33 WeakPolarHBondContact O-CB 3.15Å; M29-I33 WeakPolarHBondContact O-CG1 3.45Å; M29-I33 PolarHBondContact O-N 2.85Å; M29-I33 HydrophobicContact SD-CD1 4.27Å; M29-I33 HydrophobicContact SD-CG1 4.19Å; M29-V105 HydrophobicContact CB-CG2 4.43Å; M29-V105 HydrophobicContact CE-CG2 3.44Å; M29-V105 VanDerWaalsContact CE-CG2 3.44Å; M29-V105 HydrophobicContact SD-CG2 4.31Å; M29-L106 WeakPolarHBondContact CB-O 3.35Å; M29-L106 PolarHBondContact N-O 2.83Å; M29-T107 HydrophobicContact CB-CG2 4.05Å; M29-T107 HydrophobicContact CE-CG2 3.97Å; M29-T107 HydrophobicContact CG-CG2 4.3Å; M29-V113 HydrophobicContact CE-CG2 3.49Å; M29-V113 VanDerWaalsContact CE-CG2 3.49Å; M29-L118 HydrophobicContact CE-CD2 4.39Å; M29-Y217 HydrophobicContact CE-CD1 4.34Å; M29-Y217 HydrophobicContact CE-CD2 3.84Å; M29-Y217 HydrophobicContact CE-CE1 4.1Å; M29-Y217 HydrophobicContact CE-CE2 3.55Å; M29-Y217 HydrophobicContact CE-CG 4.23Å; M29-Y217 HydrophobicContact CG-CD1 4.36Å; M29-Y217 HydrophobicContact CG-CD2 3.82Å; M29-Y217 HydrophobicContact CG-CG 3.75Å; M29-Y217 HydrophobicContact SD-CD2 3.86Å; M29-Y217 HydrophobicContact SD-CE2 4.07Å; M29-Y217 HydrophobicContact SD-CG 4.36Å
30	E	95.8	Very high	83.5	Confident	61 Å²	61	51.4 Å²	51.4	29%	0.285	28%	0.275	S	S	.	.	H	α-helix	trans	-63.4	-38.8	176	-72.9	69.2	-156.6	0	0	112.4	H28 I33 R34 P108 S218	H28-E30 PolarHBondContact O-N 3.26Å; E30-I33 PolarHBondContact O-N 2.66Å; E30-R34 WeakPolarHBondContact O-CB 3.45Å; E30-R34 PolarHBondContact O-N 3.16Å; E30-P108 WeakPolarHBondContact OE1-CB 3.35Å; E30-P108 WeakPolarHBondContact OE1-CD 3.33Å; E30-P108 WeakPolarHBondContact OE1-CG 3.11Å; E30-S218 PolarHBondContact OE1-OG 3.07Å
31	D	95.6	Very high	86.1	Confident	21 Å²	21	49.2 Å²	49.2	11%	0.112	26%	0.263	C	S	.	.	H	α-helix	trans	-70.5	-38.2	176.3	-76.5	-16.3	0	0	0	110.3	F25 S26 H28 M29 R34 A35	F25-D31 HydrophobicContact CB-CB 4.39Å; F25-D31 HydrophobicContact CD1-CB 4.16Å; F25-D31 WeakPolarHBondContact CD1-O 3.35Å; S26-D31 VanDerWaalsContact CB-OD2 3.27Å; S26-D31 WeakPolarHBondContact CB-OD2 3.49Å; S26-D31 PolarHBondContact N-OD2 3.37Å; S26-D31 PolarHBondContact OG-OD2 3.4Å; H28-D31 PolarHBondContact O-N 3.35Å; H28-D31 VanDerWaalsContact O-N 3.14Å; M29-D31 VanDerWaalsContact C-N 3.33Å; M29-D31 PolarHBondContact O-N 3.42Å; D31-R34 PolarHBondContact O-N 3.39Å; D31-R34 IonicContact OD1-CZ 3.73Å; D31-R34 IonicContact OD1-NH1 2.67Å; D31-R34 PolarHBondContact OD1-NH1 3.22Å; D31-R34 VanDerWaalsContact OD1-NH1 3.15Å; D31-R34 IonicContact OD1-NH2 2.63Å; D31-R34 PolarHBondContact OD1-NH2 2.93Å; D31-A35 WeakPolarHBondContact O-CB 3.45Å; D31-A35 PolarHBondContact O-N 2.84Å
32	F	96.9	Very high	88.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.8	-47.9	171.2	-178.5	-92.9	0	0	0	111.6	H28 M29 R34 A35 V36 Y86 F87 A90 V91 V115 L119 L213	H28-F32 PolarHBondContact O-N 3.37Å; H28-F32 VanDerWaalsContact O-N 3.07Å; M29-F32 WeakPolarHBondContact O-CB 3.32Å; M29-F32 PolarHBondContact O-N 3.14Å; M29-F32 HydrophobicContact SD-CB 4.36Å; M29-F32 HydrophobicContact SD-CD1 3.99Å; F32-R34 VanDerWaalsContact C-N 3.31Å; F32-R34 PolarHBondContact O-N 3.3Å; F32-A35 PolarHBondContact O-N 3.46Å; F32-V36 HydrophobicContact CD1-CG2 4.16Å; F32-V36 HydrophobicContact CE1-CG2 3.67Å; F32-V36 HydrophobicContact CZ-CG2 3.91Å; F32-V36 WeakPolarHBondContact O-CG2 3.4Å; F32-V36 PolarHBondContact O-N 3.13Å; F32-Y86 WeakPolarHBondContact CA-OH 3.32Å; F32-Y86 HydrophobicContact CD2-CE1 4.17Å; F32-Y86 PolarHBondContact N-OH 3.25Å; F32-F87 HydrophobicContact CD2-CD1 4.29Å; F32-F87 AromaticContact CD2-CE1 3.96Å; F32-F87 HydrophobicContact CD2-CE1 3.96Å; F32-F87 AromaticContact CE2-CD1 3.59Å; F32-F87 HydrophobicContact CE2-CD1 3.59Å; F32-F87 AromaticContact CE2-CE1 3.44Å; F32-F87 HydrophobicContact CE2-CE1 3.44Å; F32-F87 VanDerWaalsContact CE2-CE1 3.44Å; F32-F87 HydrophobicContact CZ-CD1 4.26Å; F32-F87 AromaticContact CZ-CE1 3.89Å; F32-F87 HydrophobicContact CZ-CE1 3.89Å; F32-A90 HydrophobicContact CD2-CB 4.16Å; F32-V91 HydrophobicContact CE2-CG2 3.74Å; F32-V91 HydrophobicContact CZ-CG2 4.28Å; F32-V115 HydrophobicContact CD2-CG1 4.4Å; F32-V115 HydrophobicContact CE1-CG1 3.89Å; F32-V115 HydrophobicContact CE2-CG1 3.64Å; F32-V115 HydrophobicContact CZ-CG1 3.37Å; F32-L119 HydrophobicContact CE1-CD2 4.43Å; F32-L119 HydrophobicContact CZ-CD1 4.3Å; F32-L119 HydrophobicContact CZ-CD2 4.29Å; F32-L213 HydrophobicContact CD1-CD1 4.31Å; F32-L213 HydrophobicContact CE1-CD1 3.93Å
33	I	97	Very high	90.6	Very high	13 Å²	13	45 Å²	45	7%	0.067	23%	0.23	C	C	.	.	H	α-helix	trans	-61.2	-40.3	176.7	-69.2	165.3	0	0	0	110.8	M29 E30 V36 K37 L213 K214	M29-I33 HydrophobicContact CG-CD1 3.82Å; M29-I33 HydrophobicContact CG-CG1 4.31Å; M29-I33 WeakPolarHBondContact O-CB 3.15Å; M29-I33 WeakPolarHBondContact O-CG1 3.45Å; M29-I33 PolarHBondContact O-N 2.85Å; M29-I33 HydrophobicContact SD-CD1 4.27Å; M29-I33 HydrophobicContact SD-CG1 4.19Å; E30-I33 PolarHBondContact O-N 2.66Å; I33-V36 PolarHBondContact O-N 3.38Å; I33-K37 WeakPolarHBondContact O-CB 3.3Å; I33-K37 PolarHBondContact O-N 3.33Å; I33-L213 HydrophobicContact CD1-CB 3.95Å; I33-L213 HydrophobicContact CG1-CB 3.7Å; I33-L213 HydrophobicContact CG1-CD1 4.34Å; I33-K214 HydrophobicContact CG2-CB 4.31Å
34	R	96.3	Very high	92.2	Very high	134 Å²	134	46.6 Å²	46.6	51%	0.506	24%	0.236	S	C	.	.	H	α-helix	trans	-64.3	-42.7	176.7	-167.1	-174.1	-50.8	144.5	18.1	111.6	F25 E30 D31 F32 K37 Q38	F25-R34 HydrophobicContact CE1-CB 4.46Å; E30-R34 WeakPolarHBondContact O-CB 3.45Å; E30-R34 PolarHBondContact O-N 3.16Å; D31-R34 PolarHBondContact O-N 3.39Å; D31-R34 IonicContact OD1-CZ 3.73Å; D31-R34 IonicContact OD1-NH1 2.67Å; D31-R34 PolarHBondContact OD1-NH1 3.22Å; D31-R34 VanDerWaalsContact OD1-NH1 3.15Å; D31-R34 IonicContact OD1-NH2 2.63Å; D31-R34 PolarHBondContact OD1-NH2 2.93Å; F32-R34 VanDerWaalsContact C-N 3.31Å; F32-R34 PolarHBondContact O-N 3.3Å; R34-K37 WeakPolarHBondContact O-CB 3.43Å; R34-K37 PolarHBondContact O-N 2.94Å; R34-Q38 PolarHBondContact O-N 3.38Å
35	A	95.3	Very high	92.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-40.9	175	0	0	0	0	0	111.6	F25 D31 F32 K37 Q38 I39 L83 Y86 F87	F25-A35 HydrophobicContact CD1-CB 4.05Å; F25-A35 HydrophobicContact CE1-CB 3.7Å; F25-A35 HydrophobicContact CE2-CB 4.27Å; F25-A35 HydrophobicContact CG-CB 4.47Å; F25-A35 HydrophobicContact CZ-CB 3.83Å; D31-A35 WeakPolarHBondContact O-CB 3.45Å; D31-A35 PolarHBondContact O-N 2.84Å; F32-A35 PolarHBondContact O-N 3.46Å; A35-K37 VanDerWaalsContact C-N 3.35Å; A35-Q38 PolarHBondContact O-N 3.11Å; A35-I39 PolarHBondContact O-N 3.1Å; A35-L83 HydrophobicContact CB-CD2 4.22Å; A35-Y86 HydrophobicContact CB-CD1 3.83Å; A35-Y86 HydrophobicContact CB-CE1 3.64Å; A35-F87 HydrophobicContact CB-CE1 4.25Å; A35-F87 HydrophobicContact CB-CE2 4.03Å; A35-F87 HydrophobicContact CB-CZ 3.51Å
36	V	95.8	Very high	93.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-44.8	174.4	170.9	0	0	0	0	110.4	F32 I33 Q38 I39 E40 V51 L55 F87 L209	F32-V36 HydrophobicContact CD1-CG2 4.16Å; F32-V36 HydrophobicContact CE1-CG2 3.67Å; F32-V36 HydrophobicContact CZ-CG2 3.91Å; F32-V36 WeakPolarHBondContact O-CG2 3.4Å; F32-V36 PolarHBondContact O-N 3.13Å; I33-V36 PolarHBondContact O-N 3.38Å; V36-Q38 VanDerWaalsContact C-N 3.29Å; V36-Q38 PolarHBondContact O-N 2.93Å; V36-I39 WeakPolarHBondContact O-CB 3.47Å; V36-I39 PolarHBondContact O-N 2.79Å; V36-I39 VanDerWaalsContact O-N 3.16Å; V36-E40 WeakPolarHBondContact O-CG 3.46Å; V36-E40 PolarHBondContact O-N 3.08Å; V36-E40 VanDerWaalsContact O-N 3.13Å; V36-V51 HydrophobicContact CG1-CG1 4.37Å; V36-L55 HydrophobicContact CG2-CD1 4.02Å; V36-F87 HydrophobicContact CG2-CE1 3.89Å; V36-F87 HydrophobicContact CG2-CZ 4.01Å; V36-L209 HydrophobicContact CG1-CB 4.07Å; V36-L209 HydrophobicContact CG1-CD2 3.8Å; V36-L209 HydrophobicContact CG1-CG 3.96Å
37	K	95.1	Very high	93.2	Very high	92 Å²	92	47.1 Å²	47.1	40%	0.4	25%	0.249	S	C	.	.	H	α-helix	trans	-60	-39.3	177.4	-177.1	175.8	165.9	44.6	0	111.8	I33 R34 A35 I39 E40 D41	I33-K37 WeakPolarHBondContact O-CB 3.3Å; I33-K37 PolarHBondContact O-N 3.33Å; R34-K37 WeakPolarHBondContact O-CB 3.43Å; R34-K37 PolarHBondContact O-N 2.94Å; A35-K37 VanDerWaalsContact C-N 3.35Å; K37-I39 VanDerWaalsContact C-N 3.3Å; K37-I39 PolarHBondContact O-N 3.12Å; K37-E40 CarbonylContact O-C 3.37Å; K37-E40 WeakPolarHBondContact O-CB 3.45Å; K37-E40 PolarHBondContact O-N 3.41Å; K37-E40 VanDerWaalsContact O-N 3.11Å; K37-D41 VanDerWaalsContact CE-OD2 3.3Å; K37-D41 WeakPolarHBondContact CE-OD2 3.47Å; K37-D41 WeakPolarHBondContact CG-OD2 3.49Å; K37-D41 IonicContact NZ-OD1 3.76Å; K37-D41 PolarHBondContact NZ-OD1 2.54Å; K37-D41 IonicContact NZ-OD2 2.66Å; K37-D41 PolarHBondContact NZ-OD2 3.21Å; K37-D41 WeakPolarHBondContact O-CB 3.39Å; K37-D41 VanDerWaalsContact O-CG 3.26Å; K37-D41 PolarHBondContact O-N 3.04Å
38	Q	94.1	Very high	93.1	Very high	71 Å²	71	45.5 Å²	45.5	33%	0.332	24%	0.244	S	C	.	.	H	α-helix	trans	-59.3	-41.5	176.6	-174.5	176.3	-17.1	0	0	111.9	R34 A35 V36 E40 D41 E42 L83	R34-Q38 PolarHBondContact O-N 3.38Å; A35-Q38 PolarHBondContact O-N 3.11Å; V36-Q38 VanDerWaalsContact C-N 3.29Å; V36-Q38 PolarHBondContact O-N 2.93Å; Q38-E40 VanDerWaalsContact C-N 3.32Å; Q38-E40 PolarHBondContact O-N 3.37Å; Q38-D41 PolarHBondContact O-N 3.35Å; Q38-E42 PolarHBondContact NE2-OE1 3.32Å; Q38-E42 WeakPolarHBondContact O-CG 3.06Å; Q38-E42 PolarHBondContact O-N 3.08Å; Q38-L83 HydrophobicContact CG-CD1 4.19Å
39	I	92.4	Very high	92.8	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-41.2	174.7	-64	163.3	0	0	0	111.2	A35 V36 K37 D43 V51 R54 L55 M79 L83 F87	A35-I39 PolarHBondContact O-N 3.1Å; V36-I39 WeakPolarHBondContact O-CB 3.47Å; V36-I39 PolarHBondContact O-N 2.79Å; V36-I39 VanDerWaalsContact O-N 3.16Å; K37-I39 VanDerWaalsContact C-N 3.3Å; K37-I39 PolarHBondContact O-N 3.12Å; I39-D43 PolarHBondContact O-N 2.91Å; I39-V51 HydrophobicContact CG2-CG1 4.3Å; I39-R54 VanDerWaalsContact CG2-NH1 3.32Å; I39-L55 HydrophobicContact CD1-CD2 3.53Å; I39-M79 HydrophobicContact CD1-CE 4.25Å; I39-M79 HydrophobicContact CD1-SD 3.32Å; I39-M79 WeakPolarHBondContact CD1-SD 3.26Å; I39-M79 HydrophobicContact CG1-SD 3.92Å; I39-M79 HydrophobicContact CG2-SD 4.47Å; I39-L83 HydrophobicContact CG1-CD1 4.14Å; I39-F87 HydrophobicContact CD1-CD2 4Å; I39-F87 HydrophobicContact CD1-CE2 3.22Å; I39-F87 HydrophobicContact CD1-CZ 3.61Å; I39-F87 HydrophobicContact CG1-CE2 4.22Å
40	E	93.9	Very high	92.6	Very high	2 Å²	2	46 Å²	46	1%	0.009	25%	0.25	C	S	.	.	H	α-helix	trans	-70.9	-31	-179.7	-70.2	178.2	140.8	0	0	113.4	V36 K37 Q38 D43 P44 V51 K208 L209 S210	V36-E40 WeakPolarHBondContact O-CG 3.46Å; V36-E40 PolarHBondContact O-N 3.08Å; V36-E40 VanDerWaalsContact O-N 3.13Å; K37-E40 CarbonylContact O-C 3.37Å; K37-E40 WeakPolarHBondContact O-CB 3.45Å; K37-E40 PolarHBondContact O-N 3.41Å; K37-E40 VanDerWaalsContact O-N 3.11Å; Q38-E40 VanDerWaalsContact C-N 3.32Å; Q38-E40 PolarHBondContact O-N 3.37Å; E40-D43 CarbonylContact O-C 3.59Å; E40-P44 WeakPolarHBondContact O-CA 3.49Å; E40-V51 HydrophobicContact CG-CG1 4.26Å; E40-V51 HydrophobicContact CG-CG2 3.93Å; E40-K208 HydrophobicContact CB-CD 4.15Å; E40-K208 HydrophobicContact CG-CD 4.15Å; E40-K208 WeakPolarHBondContact OE1-CB 3.37Å; E40-L209 WeakPolarHBondContact OE1-CA 3.42Å; E40-L209 WeakPolarHBondContact OE1-CB 3.34Å; E40-L209 PolarHBondContact OE1-N 2.9Å; E40-S210 PolarHBondContact OE1-N 2.88Å; E40-S210 WeakPolarHBondContact OE2-CB 3.31Å; E40-S210 PolarHBondContact OE2-N 2.81Å; E40-S210 PolarHBondContact OE2-OG 3.43Å
41	D	92.6	Very high	92.6	Very high	95 Å²	95	43 Å²	43	51%	0.508	24%	0.237	S	C	.	.	H	α-helix	trans	-79.2	-30.8	177.2	-67.9	-16.8	0	0	0	111	K37 Q38 D43 P44	K37-D41 VanDerWaalsContact CE-OD2 3.3Å; K37-D41 WeakPolarHBondContact CE-OD2 3.47Å; K37-D41 WeakPolarHBondContact CG-OD2 3.49Å; K37-D41 IonicContact NZ-OD1 3.76Å; K37-D41 PolarHBondContact NZ-OD1 2.54Å; K37-D41 IonicContact NZ-OD2 2.66Å; K37-D41 PolarHBondContact NZ-OD2 3.21Å; K37-D41 WeakPolarHBondContact O-CB 3.39Å; K37-D41 VanDerWaalsContact O-CG 3.26Å; K37-D41 PolarHBondContact O-N 3.04Å; Q38-D41 PolarHBondContact O-N 3.35Å; D41-D43 VanDerWaalsContact C-N 3.35Å; D41-P44 WeakPolarHBondContact O-CD 3.33Å; D41-P44 WeakPolarHBondContact O-CG 3.44Å
42	E	90.3	Very high	92.5	Very high	96 Å²	96	42 Å²	42	45%	0.449	23%	0.231	S	C	.	.	H	α-helix	trans	-68.3	-30.8	171.8	-77.4	174.3	-165.4	0	0	112.9	Q38	Q38-E42 PolarHBondContact NE2-OE1 3.32Å; Q38-E42 WeakPolarHBondContact O-CG 3.06Å; Q38-E42 PolarHBondContact O-N 3.08Å
43	D	87.9	Confident	92.4	Very high	64 Å²	64	43.5 Å²	43.5	34%	0.342	24%	0.238	S	C	.	.			trans	-132.9	81.3	173	-176.2	5.9	0	0	0	111.5	I39 E40 D41 G45 S46	I39-D43 PolarHBondContact O-N 2.91Å; E40-D43 CarbonylContact O-C 3.59Å; D41-D43 VanDerWaalsContact C-N 3.35Å; D43-G45 PolarHBondContact O-N 3.46Å; D43-G45 VanDerWaalsContact O-N 3.12Å; D43-G45 PolarHBondContact OD1-N 3.34Å; D43-S46 VanDerWaalsContact CG-OG 3.3Å; D43-S46 WeakPolarHBondContact O-CB 3.45Å; D43-S46 PolarHBondContact O-N 3.4Å; D43-S46 VanDerWaalsContact O-N 3.08Å; D43-S46 PolarHBondContact OD1-N 3Å; D43-S46 WeakPolarHBondContact OD2-CB 3.48Å; D43-S46 PolarHBondContact OD2-OG 2.96Å
44	P	86.4	Confident	92.3	Very high	96 Å²	96	43.6 Å²	43.6	62%	0.623	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.8	-176.9	-25.7	35.7	0	0	0	113.9	E40 D41 K208	E40-P44 WeakPolarHBondContact O-CA 3.49Å; D41-P44 WeakPolarHBondContact O-CD 3.33Å; D41-P44 WeakPolarHBondContact O-CG 3.44Å; P44-K208 PolarHBondContact O-NZ 3.35Å
45	G	84.8	Confident	92.3	Very high	71 Å²	71	37.2 Å²	37.2	73%	0.732	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-17.5	179.5	0	0	0	0	0	114.2	D43 D47	D43-G45 PolarHBondContact O-N 3.46Å; D43-G45 VanDerWaalsContact O-N 3.12Å; D43-G45 PolarHBondContact OD1-N 3.34Å; G45-D47 PolarHBondContact O-N 3.2Å
46	S	87.6	Confident	92.3	Very high	13 Å²	13	37.2 Å²	37.2	9%	0.091	21%	0.214	C	C	.	.			trans	-62.9	129.4	177.8	-97.1	0	0	0	0	111.7	D43 K208	D43-S46 VanDerWaalsContact CG-OG 3.3Å; D43-S46 WeakPolarHBondContact O-CB 3.45Å; D43-S46 PolarHBondContact O-N 3.4Å; D43-S46 VanDerWaalsContact O-N 3.08Å; D43-S46 PolarHBondContact OD1-N 3Å; D43-S46 WeakPolarHBondContact OD2-CB 3.48Å; D43-S46 PolarHBondContact OD2-OG 2.96Å; S46-K208 PolarHBondContact O-NZ 2.86Å; S46-K208 VanDerWaalsContact O-NZ 3.1Å
47	D	90.2	Very high	92.2	Very high	75 Å²	75	40.2 Å²	40.2	40%	0.401	23%	0.225	S	C	.	.			trans	-74.5	157.4	169.9	75.5	89.3	0	0	0	111.1	G45 A49 T50 V51	G45-D47 PolarHBondContact O-N 3.2Å; D47-A49 VanDerWaalsContact C-N 3.27Å; D47-A49 PolarHBondContact O-N 2.54Å; D47-A49 WeakPolarHBondContact OD1-CA 3.33Å; D47-A49 VanDerWaalsContact OD1-CB 3.23Å; D47-A49 WeakPolarHBondContact OD1-CB 3.36Å; D47-A49 PolarHBondContact OD1-N 2.72Å; D47-T50 WeakPolarHBondContact O-CB 3.5Å; D47-T50 PolarHBondContact O-N 3.15Å; D47-T50 VanDerWaalsContact O-N 3.11Å; D47-T50 PolarHBondContact OD1-N 3.39Å; D47-T50 VanDerWaalsContact OD1-N 3.13Å; D47-T50 WeakPolarHBondContact OD2-CB 3.44Å; D47-T50 PolarHBondContact OD2-OG1 3.05Å; D47-V51 PolarHBondContact O-N 3.46Å
48	P	92.1	Very high	92.1	Very high	11 Å²	11	36.7 Å²	36.7	7%	0.071	21%	0.213	C	C	.	.	H	α-helix	trans	-60.6	-28.6	-176.8	-27	36.6	0	0	0	115.1	V51 L52 I126 L206 L207	P48-V51 PolarHBondContact O-N 3.19Å; P48-L52 WeakPolarHBondContact O-CD1 3.48Å; P48-L52 VanDerWaalsContact O-CG 3.28Å; P48-L52 WeakPolarHBondContact O-CG 3.4Å; P48-L52 PolarHBondContact O-N 2.95Å; P48-I126 HydrophobicContact CB-CD1 4Å; P48-L206 HydrophobicContact CG-CB 4.3Å; P48-L207 WeakPolarHBondContact CG-O 3.2Å
49	A	92.1	Very high	92.1	Very high	8 Å²	8	33.4 Å²	33.4	7%	0.066	20%	0.198	C	C	.	.	H	α-helix	trans	-71.4	-37.1	177.1	0	0	0	0	0	111.3	D47 L52 M53 I126 L127	D47-A49 VanDerWaalsContact C-N 3.27Å; D47-A49 PolarHBondContact O-N 2.54Å; D47-A49 WeakPolarHBondContact OD1-CA 3.33Å; D47-A49 VanDerWaalsContact OD1-CB 3.23Å; D47-A49 WeakPolarHBondContact OD1-CB 3.36Å; D47-A49 PolarHBondContact OD1-N 2.72Å; A49-L52 PolarHBondContact O-N 3.46Å; A49-M53 WeakPolarHBondContact O-CB 3.34Å; A49-M53 PolarHBondContact O-N 3.17Å; A49-I126 HydrophobicContact CB-CG2 3.99Å; A49-L127 HydrophobicContact CB-CD2 3.68Å; A49-L127 HydrophobicContact CB-CG 4.12Å
50	T	93.2	Very high	92	Very high	42 Å²	42	36 Å²	36	26%	0.258	23%	0.225	S	C	.	.	H	α-helix	trans	-61.8	-43.1	172.4	-65.4	0	0	0	0	111.5	D47 M53 R54	D47-T50 WeakPolarHBondContact O-CB 3.5Å; D47-T50 PolarHBondContact O-N 3.15Å; D47-T50 VanDerWaalsContact O-N 3.11Å; D47-T50 PolarHBondContact OD1-N 3.39Å; D47-T50 VanDerWaalsContact OD1-N 3.13Å; D47-T50 WeakPolarHBondContact OD2-CB 3.44Å; D47-T50 PolarHBondContact OD2-OG1 3.05Å; T50-M53 PolarHBondContact O-N 2.97Å; T50-R54 WeakPolarHBondContact O-CG 3.38Å; T50-R54 PolarHBondContact O-N 3.19Å
51	V	94.5	Very high	91.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.2	-49.2	174.7	178.3	0	0	0	0	110.7	V36 I39 E40 D47 P48 M53 R54 L55 L209	V36-V51 HydrophobicContact CG1-CG1 4.37Å; I39-V51 HydrophobicContact CG2-CG1 4.3Å; E40-V51 HydrophobicContact CG-CG1 4.26Å; E40-V51 HydrophobicContact CG-CG2 3.93Å; D47-V51 PolarHBondContact O-N 3.46Å; P48-V51 PolarHBondContact O-N 3.19Å; V51-M53 VanDerWaalsContact C-N 3.29Å; V51-M53 PolarHBondContact O-N 3.1Å; V51-R54 WeakPolarHBondContact O-CB 3.47Å; V51-R54 PolarHBondContact O-N 2.91Å; V51-R54 VanDerWaalsContact O-N 3.12Å; V51-L55 HydrophobicContact CG1-CD1 4.46Å; V51-L55 WeakPolarHBondContact O-CG 3.44Å; V51-L55 PolarHBondContact O-N 2.7Å; V51-L209 HydrophobicContact CG1-CD2 4.23Å
52	L	95	Very high	92	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.6	-40.6	177.6	-73.7	160.9	0	0	0	112.4	P48 A49 R54 L55 R56 L119 I122 E123 I126 L209	P48-L52 WeakPolarHBondContact O-CD1 3.48Å; P48-L52 VanDerWaalsContact O-CG 3.28Å; P48-L52 WeakPolarHBondContact O-CG 3.4Å; P48-L52 PolarHBondContact O-N 2.95Å; A49-L52 PolarHBondContact O-N 3.46Å; L52-R54 PolarHBondContact O-N 3.19Å; L52-L55 PolarHBondContact O-N 2.88Å; L52-R56 WeakPolarHBondContact O-CG 3.4Å; L52-R56 PolarHBondContact O-N 3.25Å; L52-L119 HydrophobicContact CD2-CB 3.92Å; L52-L119 HydrophobicContact CD2-CD2 3.73Å; L52-L119 HydrophobicContact CD2-CG 4.3Å; L52-I122 HydrophobicContact CD1-CB 4.4Å; L52-I122 HydrophobicContact CD1-CG2 3.77Å; L52-E123 HydrophobicContact CB-CB 4.13Å; L52-E123 HydrophobicContact CB-CG 3.99Å; L52-E123 HydrophobicContact CD1-CB 3.78Å; L52-E123 HydrophobicContact CD1-CG 4.19Å; L52-E123 HydrophobicContact CG-CB 4.43Å; L52-I126 HydrophobicContact CD1-CD1 3.53Å; L52-L209 HydrophobicContact CD2-CD1 4.15Å; L52-L209 HydrophobicContact CD2-CD2 3.57Å; L52-L209 HydrophobicContact CG-CD2 3.89Å
53	M	94.8	Very high	92	Very high	30 Å²	30	31 Å²	31	15%	0.148	20%	0.202	C	C	.	.	H	α-helix	trans	-63.1	-39.9	176.7	-166.4	174.9	56.4	0	0	111.9	A49 T50 V51 R56 R57 P71 A73 A76	A49-M53 WeakPolarHBondContact O-CB 3.34Å; A49-M53 PolarHBondContact O-N 3.17Å; T50-M53 PolarHBondContact O-N 2.97Å; V51-M53 VanDerWaalsContact C-N 3.29Å; V51-M53 PolarHBondContact O-N 3.1Å; M53-R56 PolarHBondContact O-N 3.28Å; M53-R57 PolarHBondContact O-N 2.87Å; M53-P71 HydrophobicContact SD-CB 4.15Å; M53-A73 HydrophobicContact CG-CB 4.45Å; M53-A76 HydrophobicContact CB-CB 4.34Å; M53-A76 HydrophobicContact CE-CB 3.87Å; M53-A76 HydrophobicContact CG-CB 3.93Å; M53-A76 HydrophobicContact SD-CB 4.49Å
54	R	94.9	Very high	92	Very high	16 Å²	16	29.7 Å²	29.7	6%	0.06	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-44.6	172.9	-68.5	174.6	75.5	-169.3	-1	111.9	I39 T50 V51 L52 R56 R57 A58 A76 S77 E78 M79	I39-R54 VanDerWaalsContact CG2-NH1 3.32Å; T50-R54 WeakPolarHBondContact O-CG 3.38Å; T50-R54 PolarHBondContact O-N 3.19Å; V51-R54 WeakPolarHBondContact O-CB 3.47Å; V51-R54 PolarHBondContact O-N 2.91Å; V51-R54 VanDerWaalsContact O-N 3.12Å; L52-R54 PolarHBondContact O-N 3.19Å; R54-R56 VanDerWaalsContact C-N 3.35Å; R54-R56 PolarHBondContact O-N 3.19Å; R54-R57 WeakPolarHBondContact O-CB 3.45Å; R54-R57 PolarHBondContact O-N 3.42Å; R54-A58 PolarHBondContact O-N 2.99Å; R54-A76 HydrophobicContact CB-CB 4.45Å; R54-A76 HydrophobicContact CG-CB 3.82Å; R54-S77 PolarHBondContact NE-OG 3.44Å; R54-E78 PolarHBondContact NH2-O 2.86Å; R54-M79 HydrophobicContact CB-CG 4.22Å; R54-M79 HydrophobicContact CB-SD 3.98Å
55	L	95.3	Very high	92.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60	-44.5	175.7	-63.1	-178.6	0	0	0	111.4	V36 I39 V51 L52 R57 A58 A59 M79 F87 L119 L209	V36-L55 HydrophobicContact CG2-CD1 4.02Å; I39-L55 HydrophobicContact CD1-CD2 3.53Å; V51-L55 HydrophobicContact CG1-CD1 4.46Å; V51-L55 WeakPolarHBondContact O-CG 3.44Å; V51-L55 PolarHBondContact O-N 2.7Å; L52-L55 PolarHBondContact O-N 2.88Å; L55-R57 VanDerWaalsContact C-N 3.34Å; L55-R57 PolarHBondContact O-N 2.93Å; L55-A58 PolarHBondContact O-N 3.27Å; L55-A59 WeakPolarHBondContact O-CB 3.38Å; L55-A59 PolarHBondContact O-N 3.48Å; L55-M79 HydrophobicContact CD2-CE 4.22Å; L55-M79 HydrophobicContact CD2-SD 4.38Å; L55-F87 HydrophobicContact CD2-CD1 3.53Å; L55-F87 HydrophobicContact CD2-CD2 3.82Å; L55-F87 HydrophobicContact CD2-CE1 3.44Å; L55-F87 VanDerWaalsContact CD2-CE1 3.44Å; L55-F87 HydrophobicContact CD2-CE2 3.8Å; L55-F87 HydrophobicContact CD2-CG 3.71Å; L55-F87 HydrophobicContact CD2-CZ 3.58Å; L55-L119 HydrophobicContact CB-CD1 4.11Å; L55-L119 HydrophobicContact CD1-CD1 4.04Å; L55-L119 HydrophobicContact CD1-CD2 4.32Å; L55-L209 HydrophobicContact CD1-CD2 3.84Å
56	R	95	Very high	92.5	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61	-41.6	174.9	-75.3	-165	-60.3	122.4	-8.2	112.2	L52 M53 R54 A59 G60 L61 P71 A73 E123	L52-R56 WeakPolarHBondContact O-CG 3.4Å; L52-R56 PolarHBondContact O-N 3.25Å; M53-R56 PolarHBondContact O-N 3.28Å; R54-R56 VanDerWaalsContact C-N 3.35Å; R54-R56 PolarHBondContact O-N 3.19Å; R56-A59 PolarHBondContact O-N 3.05Å; R56-G60 PolarHBondContact O-N 3.31Å; R56-L61 HydrophobicContact CB-CB 4.02Å; R56-L61 HydrophobicContact CG-CB 4.02Å; R56-L61 HydrophobicContact CG-CD1 4.42Å; R56-L61 PolarHBondContact NH1-O 3.24Å; R56-L61 PolarHBondContact O-N 2.86Å; R56-P71 PolarHBondContact NH1-O 2.94Å; R56-P71 PolarHBondContact NH2-O 3.28Å; R56-A73 HydrophobicContact CB-CB 4.07Å; R56-E123 WeakPolarHBondContact CD-OE2 3.47Å; R56-E123 IonicContact CZ-OE1 3.72Å; R56-E123 VanDerWaalsContact CZ-OE1 3.3Å; R56-E123 IonicContact CZ-OE2 3.48Å; R56-E123 VanDerWaalsContact NE-CD 3.3Å; R56-E123 IonicContact NE-OE1 3.67Å; R56-E123 PolarHBondContact NE-OE1 2.72Å; R56-E123 VanDerWaalsContact NE-OE1 3.16Å; R56-E123 IonicContact NE-OE2 2.82Å; R56-E123 PolarHBondContact NE-OE2 3.5Å; R56-E123 IonicContact NH2-OE1 3.46Å; R56-E123 PolarHBondContact NH2-OE1 2.94Å; R56-E123 IonicContact NH2-OE2 3.61Å
57	R	94.7	Very high	92.7	Very high	63 Å²	63	27.5 Å²	27.5	24%	0.238	16%	0.155	C	C	.	.	H	α-helix	trans	-59	-50.7	177.6	-169.3	177.6	179.2	-150.3	-19.2	110.6	M53 R54 L55 A59 G60 A73 A76 E78	M53-R57 PolarHBondContact O-N 2.87Å; R54-R57 WeakPolarHBondContact O-CB 3.45Å; R54-R57 PolarHBondContact O-N 3.42Å; L55-R57 VanDerWaalsContact C-N 3.34Å; L55-R57 PolarHBondContact O-N 2.93Å; R57-A59 VanDerWaalsContact C-N 3.32Å; R57-A59 PolarHBondContact O-N 3.34Å; R57-G60 PolarHBondContact O-N 3.33Å; R57-A73 HydrophobicContact CB-CB 4.17Å; R57-A73 WeakPolarHBondContact CB-O 3.39Å; R57-A73 WeakPolarHBondContact CD-O 3.09Å; R57-A76 HydrophobicContact CB-CB 4.46Å; R57-A76 WeakPolarHBondContact CD-O 3.49Å; R57-A76 PolarHBondContact NH1-O 3.32Å; R57-E78 IonicContact CZ-OE1 3.09Å; R57-E78 IonicContact NH1-OE1 3.42Å; R57-E78 IonicContact NH2-OE1 3.45Å; R57-E78 PolarHBondContact NH2-OE1 3.05Å
58	A	93.1	Very high	92.8	Very high	18 Å²	18	26.9 Å²	26.9	15%	0.149	15%	0.149	C	C	.	.	H	α-helix	trans	-63.6	-35.2	178.5	0	0	0	0	0	113.5	R54 L55 G60 M79 F87	R54-A58 PolarHBondContact O-N 2.99Å; L55-A58 PolarHBondContact O-N 3.27Å; A58-G60 VanDerWaalsContact C-N 3.3Å; A58-G60 PolarHBondContact O-N 3.12Å; A58-M79 HydrophobicContact CB-CE 3.32Å; A58-F87 HydrophobicContact CB-CB 4.18Å
59	A	92.6	Very high	92.8	Very high	2 Å²	2	26.9 Å²	26.9	2%	0.017	15%	0.148	C	C	.	.	H	α-helix	trans	-80.4	-6.3	178.7	0	0	0	0	0	114.5	L55 R56 R57 L61 V91 H92	L55-A59 WeakPolarHBondContact O-CB 3.38Å; L55-A59 PolarHBondContact O-N 3.48Å; R56-A59 PolarHBondContact O-N 3.05Å; R57-A59 VanDerWaalsContact C-N 3.32Å; R57-A59 PolarHBondContact O-N 3.34Å; A59-L61 VanDerWaalsContact C-N 3.27Å; A59-L61 HydrophobicContact CB-CD1 4.12Å; A59-L61 HydrophobicContact CB-CG 3.82Å; A59-L61 PolarHBondContact O-N 2.53Å; A59-V91 HydrophobicContact CB-CB 3.61Å; A59-V91 HydrophobicContact CB-CG1 3.52Å; A59-H92 PolarHBondContact O-ND1 2.88Å; A59-H92 VanDerWaalsContact O-ND1 3.14Å
60	G	92.1	Very high	92.9	Very high	55 Å²	55	26.8 Å²	26.8	57%	0.567	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	23.9	-173	0	0	0	0	0	113.8	R56 R57 A58 N62	R56-G60 PolarHBondContact O-N 3.31Å; R57-G60 PolarHBondContact O-N 3.33Å; A58-G60 VanDerWaalsContact C-N 3.3Å; A58-G60 PolarHBondContact O-N 3.12Å; G60-N62 VanDerWaalsContact C-N 3.34Å; G60-N62 PolarHBondContact O-N 2.91Å; G60-N62 VanDerWaalsContact O-N 3.08Å
61	L	91.8	Very high	92.9	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.063	15%	0.152	C	C	.	.			trans	-84.6	71.3	-179.5	-65.4	-177.6	0	0	0	111.7	R56 A59 I66 V91 A116	R56-L61 HydrophobicContact CB-CB 4.02Å; R56-L61 HydrophobicContact CG-CB 4.02Å; R56-L61 HydrophobicContact CG-CD1 4.42Å; R56-L61 PolarHBondContact NH1-O 3.24Å; R56-L61 PolarHBondContact O-N 2.86Å; A59-L61 VanDerWaalsContact C-N 3.27Å; A59-L61 HydrophobicContact CB-CD1 4.12Å; A59-L61 HydrophobicContact CB-CG 3.82Å; A59-L61 PolarHBondContact O-N 2.53Å; L61-I66 HydrophobicContact CB-CD1 4.12Å; L61-V91 HydrophobicContact CD1-CG1 3.56Å; L61-V91 HydrophobicContact CG-CG1 4.43Å; L61-A116 HydrophobicContact CD1-CB 3.73Å; L61-A116 HydrophobicContact CD2-CB 4.11Å
62	N	93.1	Very high	92.8	Very high	25 Å²	25	30.7 Å²	30.7	13%	0.134	17%	0.169	C	C	.	.			trans	-146.5	30	-173.9	-160.2	44.8	0	0	0	114.8	G60 R67 D72 A73	G60-N62 VanDerWaalsContact C-N 3.34Å; G60-N62 PolarHBondContact O-N 2.91Å; G60-N62 VanDerWaalsContact O-N 3.08Å; N62-R67 PolarHBondContact O-NE 2.67Å; N62-R67 VanDerWaalsContact OD1-CG 3.26Å; N62-R67 WeakPolarHBondContact OD1-CG 3.39Å; N62-D72 PolarHBondContact ND2-OD1 2.65Å; N62-A73 HydrophobicContact CB-CB 3.91Å; N62-A73 WeakPolarHBondContact OD1-CB 3.3Å; N62-A73 PolarHBondContact OD1-N 2.92Å
63	D	90.1	Very high	92.7	Very high	51 Å²	51	30.7 Å²	30.7	27%	0.273	17%	0.169	S	C	.	.			trans	-65.8	171.5	178.6	67.7	46	0	0	0	113	F65 I66 R67 K141	D63-F65 PolarHBondContact O-N 2.99Å; D63-F65 WeakPolarHBondContact OD1-CA 3.47Å; D63-F65 VanDerWaalsContact OD1-CB 3.27Å; D63-F65 WeakPolarHBondContact OD1-CB 3.44Å; D63-F65 PolarHBondContact OD1-N 3.47Å; D63-I66 PolarHBondContact O-N 3.18Å; D63-I66 PolarHBondContact OD1-N 3.35Å; D63-R67 WeakPolarHBondContact O-CG 3.27Å; D63-R67 PolarHBondContact O-N 3.45Å; D63-K141 WeakPolarHBondContact OD2-CE 3.47Å; D63-K141 IonicContact OD2-NZ 2.94Å; D63-K141 PolarHBondContact OD2-NZ 3.41Å
64	A	89.7	Confident	92.5	Very high	36 Å²	36	34.6 Å²	34.6	30%	0.298	19%	0.187	S	C	.	.	H	α-helix	trans	-59.8	-28.3	-179.1	0	0	0	0	0	113.7	H68	A64-H68 PolarHBondContact O-N 3.11Å
65	F	88.8	Confident	92.1	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-74.8	-43.3	177.1	-178.9	-94.6	0	0	0	110.9	D63 H68 F69 H136 L137 A140 T257 L260 Q261 L264	D63-F65 PolarHBondContact O-N 2.99Å; D63-F65 WeakPolarHBondContact OD1-CA 3.47Å; D63-F65 VanDerWaalsContact OD1-CB 3.27Å; D63-F65 WeakPolarHBondContact OD1-CB 3.44Å; D63-F65 PolarHBondContact OD1-N 3.47Å; F65-H68 WeakPolarHBondContact O-CB 3.36Å; F65-H68 PolarHBondContact O-N 3.13Å; F65-F69 HydrophobicContact CD2-CE2 4.42Å; F65-F69 HydrophobicContact CE1-CD2 4.4Å; F65-F69 HydrophobicContact CE1-CE2 4.12Å; F65-F69 AromaticContact CE2-CE2 3.84Å; F65-F69 HydrophobicContact CE2-CE2 3.84Å; F65-F69 HydrophobicContact CZ-CD2 4.37Å; F65-F69 AromaticContact CZ-CE2 3.65Å; F65-F69 HydrophobicContact CZ-CE2 3.65Å; F65-F69 WeakPolarHBondContact O-CD2 3.27Å; F65-H136 HydrophobicContact CZ-CB 4.49Å; F65-L137 HydrophobicContact CD1-CD2 4.33Å; F65-L137 HydrophobicContact CE1-CD2 4.09Å; F65-A140 HydrophobicContact CE1-CB 4.25Å; F65-A140 HydrophobicContact CE2-CB 4.45Å; F65-A140 HydrophobicContact CZ-CB 3.75Å; F65-T257 HydrophobicContact CE2-CG2 3.66Å; F65-T257 HydrophobicContact CZ-CG2 3.38Å; F65-L260 HydrophobicContact CE2-CD2 4.24Å; F65-L260 HydrophobicContact CE2-CG 4.33Å; F65-Q261 HydrophobicContact CD2-CB 3.79Å; F65-Q261 HydrophobicContact CD2-CG 4.12Å; F65-Q261 HydrophobicContact CE2-CB 4.07Å; F65-Q261 HydrophobicContact CG-CG 4.45Å; F65-L264 HydrophobicContact CD2-CD1 4Å
66	I	91.4	Very high	91.7	Very high	1 Å²	1	38 Å²	38	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-49.1	175.1	-65.7	170.7	0	0	0	110.4	L61 D63 H68 F69 L70 L120 L137	L61-I66 HydrophobicContact CB-CD1 4.12Å; D63-I66 PolarHBondContact O-N 3.18Å; D63-I66 PolarHBondContact OD1-N 3.35Å; I66-H68 PolarHBondContact O-N 3.2Å; I66-H68 VanDerWaalsContact O-N 3.11Å; I66-F69 PolarHBondContact O-N 2.82Å; I66-L70 HydrophobicContact CG2-CB 4.36Å; I66-L70 HydrophobicContact CG2-CD1 4.13Å; I66-L70 PolarHBondContact O-N 2.86Å; I66-L120 HydrophobicContact CD1-CD1 4.19Å; I66-L120 HydrophobicContact CD1-CD2 4.18Å; I66-L120 HydrophobicContact CG1-CD1 4.39Å; I66-L120 HydrophobicContact CG1-CD2 4.25Å; I66-L120 HydrophobicContact CG2-CD2 3.93Å; I66-L137 HydrophobicContact CG1-CD2 4.32Å
67	R	92.7	Very high	91.3	Very high	128 Å²	128	41.3 Å²	41.3	48%	0.483	24%	0.242	S	C	.	.	H	α-helix	trans	-62.6	-18.3	178.4	-70.8	-171.2	-64.5	146.6	3.1	114	N62 D63 F69 L70 D72	N62-R67 PolarHBondContact O-NE 2.67Å; N62-R67 VanDerWaalsContact OD1-CG 3.26Å; N62-R67 WeakPolarHBondContact OD1-CG 3.39Å; D63-R67 WeakPolarHBondContact O-CG 3.27Å; D63-R67 PolarHBondContact O-N 3.45Å; R67-F69 VanDerWaalsContact C-N 3.27Å; R67-L70 CarbonylContact C-O 3.19Å; R67-L70 WeakPolarHBondContact CA-O 3.44Å; R67-D72 WeakPolarHBondContact CD-OD2 2.91Å; R67-D72 IonicContact NH1-OD2 2.64Å
68	H	91.9	Very high	90.8	Very high	63 Å²	63	45.3 Å²	45.3	29%	0.292	26%	0.263	S	S	.	.	H	α-helix	trans	-68.3	-29.5	171.4	-175.5	82.4	0	0	0	112.3	A64 F65 I66 K130 L264	A64-H68 PolarHBondContact O-N 3.11Å; F65-H68 WeakPolarHBondContact O-CB 3.36Å; F65-H68 PolarHBondContact O-N 3.13Å; I66-H68 PolarHBondContact O-N 3.2Å; I66-H68 VanDerWaalsContact O-N 3.11Å; H68-K130 PolarHBondContact CD2-NZ 2.64Å; H68-K130 PolarHBondContact CE1-NZ 3.47Å; H68-K130 VanDerWaalsContact CE1-NZ 3.3Å; H68-K130 PolarHBondContact NE2-NZ 3.47Å; H68-K130 WeakPolarHBondContact O-CE 3.48Å; H68-K130 PolarHBondContact O-NZ 2.63Å; H68-L264 HydrophobicContact CB-CD1 3.57Å; H68-L264 HydrophobicContact CB-CD2 4.44Å
69	F	91.6	Very high	90.5	Very high	10 Å²	10	45.3 Å²	45.3	4%	0.044	26%	0.26	C	S	.	.	H	α-helix	trans	-109.7	-28.5	-175.7	-66.9	-75.1	0	0	0	113.6	F65 I66 R67 T129 K130 A133 H136 L137 L260	F65-F69 HydrophobicContact CD2-CE2 4.42Å; F65-F69 HydrophobicContact CE1-CD2 4.4Å; F65-F69 HydrophobicContact CE1-CE2 4.12Å; F65-F69 AromaticContact CE2-CE2 3.84Å; F65-F69 HydrophobicContact CE2-CE2 3.84Å; F65-F69 HydrophobicContact CZ-CD2 4.37Å; F65-F69 AromaticContact CZ-CE2 3.65Å; F65-F69 HydrophobicContact CZ-CE2 3.65Å; F65-F69 WeakPolarHBondContact O-CD2 3.27Å; I66-F69 PolarHBondContact O-N 2.82Å; R67-F69 VanDerWaalsContact C-N 3.27Å; F69-T129 VanDerWaalsContact O-CB 3.24Å; F69-T129 WeakPolarHBondContact O-CB 3.24Å; F69-T129 WeakPolarHBondContact O-CG2 3.33Å; F69-T129 PolarHBondContact O-OG1 3.26Å; F69-K130 HydrophobicContact CD1-CB 4.33Å; F69-K130 HydrophobicContact CD1-CD 4.06Å; F69-K130 HydrophobicContact CE1-CD 4.4Å; F69-A133 HydrophobicContact CB-CB 4.29Å; F69-A133 HydrophobicContact CD1-CB 3.77Å; F69-A133 HydrophobicContact CG-CB 4.36Å; F69-H136 HydrophobicContact CE1-CB 3.96Å; F69-H136 AromaticContact CE1-CD2 3.81Å; F69-H136 HydrophobicContact CE2-CB 3.9Å; F69-H136 HydrophobicContact CZ-CB 3.49Å; F69-H136 VanDerWaalsContact CZ-CB 3.49Å; F69-H136 AromaticContact CZ-CD2 3.85Å; F69-H136 AromaticContact CZ-CG 3.72Å; F69-L137 HydrophobicContact CB-CD1 3.83Å; F69-L137 HydrophobicContact CB-CD2 4.18Å; F69-L137 HydrophobicContact CB-CG 4.12Å; F69-L137 HydrophobicContact CD2-CD2 3.94Å; F69-L137 HydrophobicContact CD2-CG 4.13Å; F69-L137 HydrophobicContact CG-CD1 4.43Å; F69-L137 HydrophobicContact CG-CD2 4.39Å; F69-L137 HydrophobicContact CG-CG 4.25Å; F69-L260 HydrophobicContact CE2-CD2 3.93Å; F69-L260 HydrophobicContact CZ-CD2 3.52Å
70	L	93.6	Very high	90.2	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.037	27%	0.274	C	S	.	.	S	Bend	trans	-123.4	155.8	-174.8	-60.1	178.5	0	0	0	110.8	I66 R67 L120 E123 A124 L127 L137	I66-L70 HydrophobicContact CG2-CB 4.36Å; I66-L70 HydrophobicContact CG2-CD1 4.13Å; I66-L70 PolarHBondContact O-N 2.86Å; R67-L70 CarbonylContact C-O 3.19Å; R67-L70 WeakPolarHBondContact CA-O 3.44Å; L70-L120 HydrophobicContact CD1-CD2 3.66Å; L70-E123 HydrophobicContact CD1-CB 4.26Å; L70-E123 HydrophobicContact CD1-CG 4.32Å; L70-E123 HydrophobicContact CD2-CB 4.29Å; L70-E123 HydrophobicContact CD2-CG 4.05Å; L70-A124 HydrophobicContact CD2-CB 4.07Å; L70-L127 HydrophobicContact CD2-CD1 4.13Å; L70-L137 HydrophobicContact CD1-CD1 3.93Å; L70-L137 HydrophobicContact CD2-CD1 4.27Å; L70-L137 HydrophobicContact CG-CD1 3.93Å
71	P	93.8	Very high	89.9	Confident	58 Å²	58	50.7 Å²	50.7	38%	0.377	28%	0.283	S	S	.	.			trans	-55.2	154.7	172	-24.3	34.6	0	0	0	112.5	M53 R56 A73 L127	M53-P71 HydrophobicContact SD-CB 4.15Å; R56-P71 PolarHBondContact NH1-O 2.94Å; R56-P71 PolarHBondContact NH2-O 3.28Å; P71-A73 PolarHBondContact O-N 3.44Å; P71-L127 HydrophobicContact CG-CD1 3.83Å
72	D	93.5	Very high	89.6	Confident	65 Å²	65	54.1 Å²	54.1	35%	0.348	30%	0.301	S	S	.	.			trans	-63.2	117.7	177.4	-163.4	-38.1	0	0	0	110.3	N62 R67 Q74 A75	N62-D72 PolarHBondContact ND2-OD1 2.65Å; R67-D72 WeakPolarHBondContact CD-OD2 2.91Å; R67-D72 IonicContact NH1-OD2 2.64Å; D72-Q74 PolarHBondContact O-N 3.09Å; D72-Q74 WeakPolarHBondContact OD1-CB 3.46Å; D72-Q74 PolarHBondContact OD1-N 2.93Å; D72-A75 WeakPolarHBondContact O-CB 3.34Å; D72-A75 PolarHBondContact O-N 3.14Å
73	A	92.1	Very high	89.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-62.3	-24	-178.4	0	0	0	0	0	113	M53 R56 R57 N62 P71 A75 A76	M53-A73 HydrophobicContact CG-CB 4.45Å; R56-A73 HydrophobicContact CB-CB 4.07Å; R57-A73 HydrophobicContact CB-CB 4.17Å; R57-A73 WeakPolarHBondContact CB-O 3.39Å; R57-A73 WeakPolarHBondContact CD-O 3.09Å; N62-A73 HydrophobicContact CB-CB 3.91Å; N62-A73 WeakPolarHBondContact OD1-CB 3.3Å; N62-A73 PolarHBondContact OD1-N 2.92Å; P71-A73 PolarHBondContact O-N 3.44Å; A73-A75 PolarHBondContact O-N 3.31Å; A73-A76 WeakPolarHBondContact O-CB 3.16Å; A73-A76 PolarHBondContact O-N 3.42Å; A73-A76 VanDerWaalsContact O-N 3.1Å
74	Q	90.7	Very high	89.5	Confident	112 Å²	112	52.3 Å²	52.3	52%	0.523	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-68.3	-13.9	-179.2	-63.1	-61.5	-3.3	0	0	113.1	D72 A76	D72-Q74 PolarHBondContact O-N 3.09Å; D72-Q74 WeakPolarHBondContact OD1-CB 3.46Å; D72-Q74 PolarHBondContact OD1-N 2.93Å; Q74-A76 VanDerWaalsContact C-N 3.28Å
75	A	86.6	Confident	89.6	Confident	84 Å²	84	55 Å²	55	69%	0.694	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-75.1	-16	173.2	0	0	0	0	0	113.3	D72 A73	D72-A75 WeakPolarHBondContact O-CB 3.34Å; D72-A75 PolarHBondContact O-N 3.14Å; A73-A75 PolarHBondContact O-N 3.31Å
76	A	87.4	Confident	89.8	Confident	5 Å²	5	55.8 Å²	55.8	4%	0.041	30%	0.304	C	S	.	.	S	Bend	trans	-71.2	153.7	178.3	0	0	0	0	0	111.9	M53 R54 R57 A73 Q74	M53-A76 HydrophobicContact CB-CB 4.34Å; M53-A76 HydrophobicContact CE-CB 3.87Å; M53-A76 HydrophobicContact CG-CB 3.93Å; M53-A76 HydrophobicContact SD-CB 4.49Å; R54-A76 HydrophobicContact CB-CB 4.45Å; R54-A76 HydrophobicContact CG-CB 3.82Å; R57-A76 HydrophobicContact CB-CB 4.46Å; R57-A76 WeakPolarHBondContact CD-O 3.49Å; R57-A76 PolarHBondContact NH1-O 3.32Å; A73-A76 WeakPolarHBondContact O-CB 3.16Å; A73-A76 PolarHBondContact O-N 3.42Å; A73-A76 VanDerWaalsContact O-N 3.1Å; Q74-A76 VanDerWaalsContact C-N 3.28Å
77	S	86.6	Confident	89.9	Confident	68 Å²	68	55.7 Å²	55.7	48%	0.476	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-66.9	155.3	171.6	55.1	0	0	0	0	112.5	R54	R54-S77 PolarHBondContact NE-OG 3.44Å
78	E	84.3	Confident	89.9	Confident	147 Å²	147	54.4 Å²	54.4	69%	0.687	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-69.5	155.6	174.4	-65.4	-171.5	176.4	0	0	111.2	R54 R57	R54-E78 PolarHBondContact NH2-O 2.86Å; R57-E78 IonicContact CZ-OE1 3.09Å; R57-E78 IonicContact NH1-OE1 3.42Å; R57-E78 IonicContact NH2-OE1 3.45Å; R57-E78 PolarHBondContact NH2-OE1 3.05Å
79	M	86.4	Confident	89.8	Confident	19 Å²	19	54.9 Å²	54.9	9%	0.094	30%	0.3	C	S	.	.			trans	-107.2	156.2	175.6	-62.3	-161.2	-63.2	0	0	109.6	I39 R54 L55 A58 T81 F87	I39-M79 HydrophobicContact CD1-CE 4.25Å; I39-M79 HydrophobicContact CD1-SD 3.32Å; I39-M79 WeakPolarHBondContact CD1-SD 3.26Å; I39-M79 HydrophobicContact CG1-SD 3.92Å; I39-M79 HydrophobicContact CG2-SD 4.47Å; R54-M79 HydrophobicContact CB-CG 4.22Å; R54-M79 HydrophobicContact CB-SD 3.98Å; L55-M79 HydrophobicContact CD2-CE 4.22Å; L55-M79 HydrophobicContact CD2-SD 4.38Å; A58-M79 HydrophobicContact CB-CE 3.32Å; M79-T81 PolarHBondContact O-N 3.08Å; M79-F87 HydrophobicContact CE-CB 4.26Å; M79-F87 HydrophobicContact CE-CD2 3.59Å; M79-F87 HydrophobicContact CE-CE2 4.37Å; M79-F87 HydrophobicContact CE-CG 4.18Å; M79-F87 HydrophobicContact SD-CD2 4.46Å
80	P	85.7	Confident	89.9	Confident	47 Å²	47	54.4 Å²	54.4	31%	0.305	30%	0.298	S	S	.	.			trans	-47.4	138.9	169.6	-28.4	36.2	0	0	0	111.6	N82 L83 S84	P80-N82 VanDerWaalsContact C-N 3.28Å; P80-N82 WeakPolarHBondContact CB-OD1 3.48Å; P80-N82 PolarHBondContact O-N 2.88Å; P80-L83 HydrophobicContact CB-CD1 4.41Å; P80-L83 HydrophobicContact CG-CD1 4.24Å; P80-L83 PolarHBondContact O-N 3.18Å; P80-L83 VanDerWaalsContact O-N 3.14Å; P80-S84 WeakPolarHBondContact O-CB 3.22Å; P80-S84 PolarHBondContact O-N 3.4Å
81	T	85.2	Confident	90	Very high	122 Å²	122	54 Å²	54	75%	0.748	30%	0.296	S	S	*	.	H	α-helix	trans	-57	-40.4	-169.5	-50.5	0	0	0	0	112.8	M79 S84 E85	M79-T81 PolarHBondContact O-N 3.08Å; T81-S84 PolarHBondContact O-N 3.33Å; T81-E85 PolarHBondContact O-N 3.06Å
82	N	86.9	Confident	89.9	Confident	84 Å²	84	54.8 Å²	54.8	45%	0.449	29%	0.294	S	S	.	.	H	α-helix	trans	-61	-48.9	177.5	60.7	-16.1	0	0	0	112.4	P80 E85 Y86	P80-N82 VanDerWaalsContact C-N 3.28Å; P80-N82 WeakPolarHBondContact CB-OD1 3.48Å; P80-N82 PolarHBondContact O-N 2.88Å; N82-E85 PolarHBondContact O-N 3.48Å; N82-Y86 PolarHBondContact O-N 3.18Å; N82-Y86 VanDerWaalsContact O-N 3.07Å
83	L	90.1	Very high	89.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66	-43.1	176.7	-71.1	175.3	0	0	0	110.7	F25 A35 Q38 I39 P80 E85 Y86 F87	F25-L83 HydrophobicContact CE2-CD2 3.69Å; F25-L83 HydrophobicContact CZ-CD2 3.97Å; A35-L83 HydrophobicContact CB-CD2 4.22Å; Q38-L83 HydrophobicContact CG-CD1 4.19Å; I39-L83 HydrophobicContact CG1-CD1 4.14Å; P80-L83 HydrophobicContact CB-CD1 4.41Å; P80-L83 HydrophobicContact CG-CD1 4.24Å; P80-L83 PolarHBondContact O-N 3.18Å; P80-L83 VanDerWaalsContact O-N 3.14Å; L83-E85 VanDerWaalsContact C-N 3.3Å; L83-E85 PolarHBondContact O-N 3.24Å; L83-Y86 PolarHBondContact O-N 2.88Å; L83-F87 HydrophobicContact CB-CD2 4.31Å; L83-F87 HydrophobicContact CB-CE2 4.26Å; L83-F87 HydrophobicContact CD2-CE2 4.32Å; L83-F87 WeakPolarHBondContact O-CD2 3.42Å; L83-F87 PolarHBondContact O-N 3.45Å
84	S	90.6	Very high	89.6	Confident	38 Å²	38	58.9 Å²	58.9	27%	0.266	31%	0.306	S	S	.	.	H	α-helix	trans	-57.4	-43.9	177.3	-173.7	0	0	0	0	111.7	P80 T81 R88	P80-S84 WeakPolarHBondContact O-CB 3.22Å; P80-S84 PolarHBondContact O-N 3.4Å; T81-S84 PolarHBondContact O-N 3.33Å; S84-R88 WeakPolarHBondContact O-CB 3.23Å; S84-R88 PolarHBondContact O-N 2.66Å
85	E	91.3	Very high	89.5	Confident	94 Å²	94	56 Å²	56	44%	0.439	30%	0.297	S	S	.	.	H	α-helix	trans	-65.9	-43.3	176.5	-170.2	-177.4	169	0	0	112.3	T81 N82 L83 R88 K89	T81-E85 PolarHBondContact O-N 3.06Å; N82-E85 PolarHBondContact O-N 3.48Å; L83-E85 VanDerWaalsContact C-N 3.3Å; L83-E85 PolarHBondContact O-N 3.24Å; E85-R88 WeakPolarHBondContact O-CB 3.48Å; E85-R88 PolarHBondContact O-N 3.07Å; E85-K89 PolarHBondContact O-N 3.14Å; E85-K89 VanDerWaalsContact O-N 3.08Å; E85-K89 WeakPolarHBondContact OE1-CE 3.13Å; E85-K89 IonicContact OE1-NZ 3.23Å; E85-K89 PolarHBondContact OE1-NZ 3.31Å
86	Y	92.6	Very high	89.6	Confident	19 Å²	19	54.7 Å²	54.7	8%	0.075	28%	0.277	C	S	.	.	H	α-helix	trans	-58.3	-52.3	175.7	173.7	-107.9	0	0	0	111.4	F25 S26 F32 A35 N82 L83 R88 K89 A90	F25-Y86 HydrophobicContact CB-CD1 4.34Å; F25-Y86 HydrophobicContact CB-CD2 3.47Å; F25-Y86 VanDerWaalsContact CB-CD2 3.47Å; F25-Y86 HydrophobicContact CB-CE1 4.15Å; F25-Y86 HydrophobicContact CB-CE2 3.22Å; F25-Y86 HydrophobicContact CB-CG 4.02Å; F25-Y86 HydrophobicContact CD2-CD1 4.25Å; F25-Y86 HydrophobicContact CD2-CD2 4.31Å; F25-Y86 HydrophobicContact CD2-CG 4.05Å; F25-Y86 HydrophobicContact CG-CD1 4.32Å; F25-Y86 HydrophobicContact CG-CD2 4.2Å; F25-Y86 HydrophobicContact CG-CE1 4.29Å; F25-Y86 HydrophobicContact CG-CE2 4.17Å; F25-Y86 HydrophobicContact CG-CG 4.26Å; S26-Y86 WeakPolarHBondContact O-CE2 3.2Å; S26-Y86 PolarHBondContact O-OH 2.82Å; S26-Y86 VanDerWaalsContact O-OH 3.06Å; F32-Y86 WeakPolarHBondContact CA-OH 3.32Å; F32-Y86 HydrophobicContact CD2-CE1 4.17Å; F32-Y86 PolarHBondContact N-OH 3.25Å; A35-Y86 HydrophobicContact CB-CD1 3.83Å; A35-Y86 HydrophobicContact CB-CE1 3.64Å; N82-Y86 PolarHBondContact O-N 3.18Å; N82-Y86 VanDerWaalsContact O-N 3.07Å; L83-Y86 PolarHBondContact O-N 2.88Å; Y86-R88 VanDerWaalsContact C-N 3.28Å; Y86-R88 PolarHBondContact O-N 3.41Å; Y86-K89 PolarHBondContact O-N 3.45Å; Y86-A90 HydrophobicContact CE1-CB 4.23Å; Y86-A90 HydrophobicContact CE2-CB 4.19Å; Y86-A90 WeakPolarHBondContact O-CB 3.42Å; Y86-A90 PolarHBondContact O-N 3.45Å
87	F	93.8	Very high	89.4	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.6	-34.9	178.9	-74.9	-63.8	0	0	0	112.5	F32 A35 V36 I39 L55 A58 M79 L83 K89 V91	F32-F87 HydrophobicContact CD2-CD1 4.29Å; F32-F87 AromaticContact CD2-CE1 3.96Å; F32-F87 HydrophobicContact CD2-CE1 3.96Å; F32-F87 AromaticContact CE2-CD1 3.59Å; F32-F87 HydrophobicContact CE2-CD1 3.59Å; F32-F87 AromaticContact CE2-CE1 3.44Å; F32-F87 HydrophobicContact CE2-CE1 3.44Å; F32-F87 VanDerWaalsContact CE2-CE1 3.44Å; F32-F87 HydrophobicContact CZ-CD1 4.26Å; F32-F87 AromaticContact CZ-CE1 3.89Å; F32-F87 HydrophobicContact CZ-CE1 3.89Å; A35-F87 HydrophobicContact CB-CE1 4.25Å; A35-F87 HydrophobicContact CB-CE2 4.03Å; A35-F87 HydrophobicContact CB-CZ 3.51Å; V36-F87 HydrophobicContact CG2-CE1 3.89Å; V36-F87 HydrophobicContact CG2-CZ 4.01Å; I39-F87 HydrophobicContact CD1-CD2 4Å; I39-F87 HydrophobicContact CD1-CE2 3.22Å; I39-F87 HydrophobicContact CD1-CZ 3.61Å; I39-F87 HydrophobicContact CG1-CE2 4.22Å; L55-F87 HydrophobicContact CD2-CD1 3.53Å; L55-F87 HydrophobicContact CD2-CD2 3.82Å; L55-F87 HydrophobicContact CD2-CE1 3.44Å; L55-F87 VanDerWaalsContact CD2-CE1 3.44Å; L55-F87 HydrophobicContact CD2-CE2 3.8Å; L55-F87 HydrophobicContact CD2-CG 3.71Å; L55-F87 HydrophobicContact CD2-CZ 3.58Å; A58-F87 HydrophobicContact CB-CB 4.18Å; M79-F87 HydrophobicContact CE-CB 4.26Å; M79-F87 HydrophobicContact CE-CD2 3.59Å; M79-F87 HydrophobicContact CE-CE2 4.37Å; M79-F87 HydrophobicContact CE-CG 4.18Å; M79-F87 HydrophobicContact SD-CD2 4.46Å; L83-F87 HydrophobicContact CB-CD2 4.31Å; L83-F87 HydrophobicContact CB-CE2 4.26Å; L83-F87 HydrophobicContact CD2-CE2 4.32Å; L83-F87 WeakPolarHBondContact O-CD2 3.42Å; L83-F87 PolarHBondContact O-N 3.45Å; F87-K89 VanDerWaalsContact C-N 3.31Å; F87-K89 PolarHBondContact O-N 2.71Å; F87-V91 HydrophobicContact CB-CG2 4.49Å; F87-V91 HydrophobicContact CD1-CG2 4.14Å; F87-V91 WeakPolarHBondContact O-CB 3.4Å; F87-V91 VanDerWaalsContact O-CG2 3.3Å; F87-V91 WeakPolarHBondContact O-CG2 3.28Å; F87-V91 PolarHBondContact O-N 2.83Å
88	R	92.5	Very high	89.4	Confident	101 Å²	101	64.2 Å²	64.2	38%	0.381	32%	0.316	S	S	.	.	H	α-helix	trans	-57	-46.2	171.6	-169.7	-168.8	64.7	73.3	-1.6	110.8	S84 E85 Y86 H92	S84-R88 WeakPolarHBondContact O-CB 3.23Å; S84-R88 PolarHBondContact O-N 2.66Å; E85-R88 WeakPolarHBondContact O-CB 3.48Å; E85-R88 PolarHBondContact O-N 3.07Å; Y86-R88 VanDerWaalsContact C-N 3.28Å; Y86-R88 PolarHBondContact O-N 3.41Å; R88-H92 WeakPolarHBondContact O-CB 3.32Å; R88-H92 PolarHBondContact O-N 3.21Å; R88-H92 VanDerWaalsContact O-N 3.09Å
89	K	91.3	Very high	89.7	Confident	72 Å²	72	61.1 Å²	61.1	31%	0.313	30%	0.3	S	S	.	.	H	α-helix	trans	-74.3	-42.7	-180	-66.8	177	-174.1	166.4	0	113.3	Y27 E85 Y86 F87 G103	Y27-K89 HydrophobicContact CE1-CB 4.34Å; E85-K89 PolarHBondContact O-N 3.14Å; E85-K89 VanDerWaalsContact O-N 3.08Å; E85-K89 WeakPolarHBondContact OE1-CE 3.13Å; E85-K89 IonicContact OE1-NZ 3.23Å; E85-K89 PolarHBondContact OE1-NZ 3.31Å; Y86-K89 PolarHBondContact O-N 3.45Å; F87-K89 VanDerWaalsContact C-N 3.31Å; F87-K89 PolarHBondContact O-N 2.71Å; K89-G103 WeakPolarHBondContact O-CA 3.38Å; K89-G103 PolarHBondContact O-N 3.16Å
90	A	93.1	Very high	90	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-75.1	-25.4	-175.5	0	0	0	0	0	113.4	Y27 F32 Y86 G103	Y27-A90 HydrophobicContact CE1-CB 4.48Å; F32-A90 HydrophobicContact CD2-CB 4.16Å; Y86-A90 HydrophobicContact CE1-CB 4.23Å; Y86-A90 HydrophobicContact CE2-CB 4.19Å; Y86-A90 WeakPolarHBondContact O-CB 3.42Å; Y86-A90 PolarHBondContact O-N 3.45Å; A90-G103 CarbonylContact O-C 3.43Å; A90-G103 WeakPolarHBondContact O-CA 3.12Å
91	V	94.6	Very high	90.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-108.6	-35.8	-175.4	-175.1	0	0	0	0	112.5	F32 A59 L61 F87 H93 V115 A116 L119	F32-V91 HydrophobicContact CE2-CG2 3.74Å; F32-V91 HydrophobicContact CZ-CG2 4.28Å; A59-V91 HydrophobicContact CB-CB 3.61Å; A59-V91 HydrophobicContact CB-CG1 3.52Å; L61-V91 HydrophobicContact CD1-CG1 3.56Å; L61-V91 HydrophobicContact CG-CG1 4.43Å; F87-V91 HydrophobicContact CB-CG2 4.49Å; F87-V91 HydrophobicContact CD1-CG2 4.14Å; F87-V91 WeakPolarHBondContact O-CB 3.4Å; F87-V91 VanDerWaalsContact O-CG2 3.3Å; F87-V91 WeakPolarHBondContact O-CG2 3.28Å; F87-V91 PolarHBondContact O-N 2.83Å; V91-H93 PolarHBondContact O-N 3.46Å; V91-V115 HydrophobicContact CG1-CG1 4.49Å; V91-V115 HydrophobicContact CG2-CB 4.33Å; V91-V115 HydrophobicContact CG2-CG1 3.89Å; V91-A116 HydrophobicContact CG1-CB 4.17Å; V91-A116 WeakPolarHBondContact O-CB 3.45Å; V91-L119 HydrophobicContact CG1-CD1 3.92Å; V91-L119 HydrophobicContact CG2-CD1 4.13Å
92	H	91.8	Very high	90.8	Very high	74 Å²	74	58.9 Å²	58.9	34%	0.343	28%	0.276	S	S	.	.			trans	-70.8	103	-178.6	-170.8	85.6	0	0	0	110.9	A59 R88	A59-H92 PolarHBondContact O-ND1 2.88Å; A59-H92 VanDerWaalsContact O-ND1 3.14Å; R88-H92 WeakPolarHBondContact O-CB 3.32Å; R88-H92 PolarHBondContact O-N 3.21Å; R88-H92 VanDerWaalsContact O-N 3.09Å
93	H	91.6	Very high	91.1	Very high	41 Å²	41	55 Å²	55	19%	0.19	26%	0.256	C	S	.	.			trans	-78.7	131.5	-179.1	179.6	-97	0	0	0	112.5	V91 E101 E102 T114 Q185	V91-H93 PolarHBondContact O-N 3.46Å; H93-E101 IonicContact CD2-OE1 3.12Å; H93-E101 IonicContact CE1-OE1 3.22Å; H93-E101 IonicContact NE2-OE1 2.92Å; H93-E101 PolarHBondContact NE2-OE1 3.21Å; H93-E102 WeakPolarHBondContact CA-O 3.36Å; H93-E102 PolarHBondContact CD2-O 2.96Å; H93-T114 WeakPolarHBondContact CD2-CG2 3.3Å; H93-Q185 PolarHBondContact CE1-NE2 3.34Å; H93-Q185 PolarHBondContact ND1-NE2 3Å
94	R	88.8	Confident	91.3	Very high	109 Å²	109	55.1 Å²	55.1	41%	0.411	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	151.7	166.2	59.4	-178.3	-179.8	168.1	9.4	110.8	L96 E102	R94-L96 HydrophobicContact CG-CD2 4.15Å; R94-E102 HydrophobicContact CG-CB 4.04Å; R94-E102 HydrophobicContact CG-CG 4.46Å; R94-E102 IonicContact CZ-OE1 2.67Å; R94-E102 IonicContact CZ-OE2 2.85Å; R94-E102 PolarHBondContact N-O 3.44Å; R94-E102 VanDerWaalsContact NE-CD 3.31Å; R94-E102 IonicContact NE-OE1 3.71Å; R94-E102 IonicContact NE-OE2 2.66Å; R94-E102 PolarHBondContact NE-OE2 3.1Å; R94-E102 IonicContact NH2-OE1 3.78Å; R94-E102 PolarHBondContact NH2-OE1 2.93Å; R94-E102 IonicContact NH2-OE2 3.94Å; R94-E102 PolarHBondContact NH2-OE2 3.49Å; R94-E102 PolarHBondContact O-N 3.24Å
95	V	88.4	Confident	91.6	Very high	52 Å²	52	53.3 Å²	53.3	32%	0.315	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.8	168.7	-177.3	0	0	0	0	108.2	K100 E101 L174 P178 T182	V95-K100 WeakPolarHBondContact CA-O 3.31Å; V95-E101 HydrophobicContact CG2-CB 4.27Å; V95-E101 HydrophobicContact CG2-CG 4.16Å; V95-L174 HydrophobicContact CG1-CD1 3.73Å; V95-L174 HydrophobicContact CG2-CD1 4.23Å; V95-P178 HydrophobicContact CG1-CG 4.04Å; V95-P178 HydrophobicContact CG2-CG 4.41Å; V95-T182 HydrophobicContact CG2-CG2 4.26Å
96	L	88.8	Confident	91.9	Very high	56 Å²	56	49 Å²	49	29%	0.293	22%	0.224	S	C	.	.			trans	-84.2	169.2	179.8	-55.7	-175.1	0	0	0	111.3	R94 D98 F99 K100	R94-L96 HydrophobicContact CG-CD2 4.15Å; L96-D98 VanDerWaalsContact CB-OD1 3.31Å; L96-D98 WeakPolarHBondContact CB-OD1 3.37Å; L96-D98 PolarHBondContact O-N 2.96Å; L96-F99 PolarHBondContact O-N 3.38Å; L96-K100 HydrophobicContact CB-CB 4.28Å; L96-K100 HydrophobicContact CD1-CB 4.12Å; L96-K100 HydrophobicContact CG-CB 4.4Å; L96-K100 PolarHBondContact N-O 3.04Å
97	E	83.3	Confident	92.1	Very high	198 Å²	198	48.1 Å²	48.1	93%	0.925	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.1	-177.3	-65	-172.4	165.5	0	0	113.3	F99	E97-F99 PolarHBondContact O-N 3.32Å
98	D	86.9	Confident	92.3	Very high	75 Å²	75	49.6 Å²	49.6	40%	0.401	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	23	178	65.2	-13.8	0	0	0	113.2	L96 K100	L96-D98 VanDerWaalsContact CB-OD1 3.31Å; L96-D98 WeakPolarHBondContact CB-OD1 3.37Å; L96-D98 PolarHBondContact O-N 2.96Å; D98-K100 PolarHBondContact O-N 3.28Å; D98-K100 VanDerWaalsContact O-N 3.08Å; D98-K100 WeakPolarHBondContact OD1-CB 3.42Å; D98-K100 WeakPolarHBondContact OD1-CG 3.49Å; D98-K100 PolarHBondContact OD1-N 3.06Å; D98-K100 WeakPolarHBondContact OD2-CD 3.4Å; D98-K100 WeakPolarHBondContact OD2-CE 3.06Å; D98-K100 IonicContact OD2-NZ 2.68Å; D98-K100 PolarHBondContact OD2-NZ 2.95Å
99	F	90.6	Very high	92.4	Very high	82 Å²	82	45 Å²	45	36%	0.36	21%	0.213	S	C	.	.	S	Bend	trans	63.3	7.8	-179.4	-51.7	-60.3	0	0	0	115.3	L96 E97 E101 T173 L174 K177	L96-F99 PolarHBondContact O-N 3.38Å; E97-F99 PolarHBondContact O-N 3.32Å; F99-E101 PolarHBondContact O-N 2.86Å; F99-T173 HydrophobicContact CB-CG2 4.31Å; F99-L174 HydrophobicContact CB-CB 4.17Å; F99-L174 WeakPolarHBondContact O-CG 3.18Å; F99-L174 PolarHBondContact O-N 2.97Å; F99-K177 HydrophobicContact CD1-CB 4.44Å; F99-K177 HydrophobicContact CE1-CB 3.62Å; F99-K177 HydrophobicContact CE1-CG 4.01Å; F99-K177 HydrophobicContact CZ-CB 4.37Å
100	K	93.1	Very high	92.6	Very high	83 Å²	83	41.6 Å²	41.6	36%	0.361	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	130.2	170.3	-69	178.3	-174.7	142.8	0	109.9	V95 L96 D98 V171 F172	V95-K100 WeakPolarHBondContact CA-O 3.31Å; L96-K100 HydrophobicContact CB-CB 4.28Å; L96-K100 HydrophobicContact CD1-CB 4.12Å; L96-K100 HydrophobicContact CG-CB 4.4Å; L96-K100 PolarHBondContact N-O 3.04Å; D98-K100 PolarHBondContact O-N 3.28Å; D98-K100 VanDerWaalsContact O-N 3.08Å; D98-K100 WeakPolarHBondContact OD1-CB 3.42Å; D98-K100 WeakPolarHBondContact OD1-CG 3.49Å; D98-K100 PolarHBondContact OD1-N 3.06Å; D98-K100 WeakPolarHBondContact OD2-CD 3.4Å; D98-K100 WeakPolarHBondContact OD2-CE 3.06Å; D98-K100 IonicContact OD2-NZ 2.68Å; D98-K100 PolarHBondContact OD2-NZ 2.95Å; K100-V171 HydrophobicContact CD-CG1 3.93Å; K100-V171 HydrophobicContact CG-CG1 3.9Å; K100-F172 WeakPolarHBondContact CA-O 3.43Å
101	E	93.4	Very high	92.8	Very high	5 Å²	5	42.4 Å²	42.4	2%	0.023	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.2	175.3	175.1	175	-142.7	0	0	109.3	H93 V95 F99 V104 F172 L174 T182	H93-E101 IonicContact CD2-OE1 3.12Å; H93-E101 IonicContact CE1-OE1 3.22Å; H93-E101 IonicContact NE2-OE1 2.92Å; H93-E101 PolarHBondContact NE2-OE1 3.21Å; V95-E101 HydrophobicContact CG2-CB 4.27Å; V95-E101 HydrophobicContact CG2-CG 4.16Å; F99-E101 PolarHBondContact O-N 2.86Å; E101-V104 HydrophobicContact CG-CG1 3.72Å; E101-V104 HydrophobicContact CG-CG2 4.38Å; E101-V104 WeakPolarHBondContact O-CG2 3.46Å; E101-F172 HydrophobicContact CB-CD1 4.09Å; E101-F172 PolarHBondContact N-O 3.35Å; E101-F172 WeakPolarHBondContact OE2-CE1 3.39Å; E101-L174 HydrophobicContact CB-CD1 4.47Å; E101-L174 HydrophobicContact CB-CD2 4.47Å; E101-L174 HydrophobicContact CB-CG 4.26Å; E101-L174 WeakPolarHBondContact OE2-CD2 3.36Å; E101-T182 WeakPolarHBondContact OE1-CB 3.3Å; E101-T182 VanDerWaalsContact OE1-CG2 3.29Å; E101-T182 WeakPolarHBondContact OE1-CG2 3.38Å; E101-T182 PolarHBondContact OE1-OG1 2.68Å; E101-T182 PolarHBondContact OE2-OG1 3.3Å
102	E	92.7	Very high	92.8	Very high	54 Å²	54	42.7 Å²	42.7	25%	0.252	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	163.3	176.6	-65.1	-175.9	-173.6	0	0	110.8	H93 R94 V104	H93-E102 WeakPolarHBondContact CA-O 3.36Å; H93-E102 PolarHBondContact CD2-O 2.96Å; R94-E102 HydrophobicContact CG-CB 4.04Å; R94-E102 HydrophobicContact CG-CG 4.46Å; R94-E102 IonicContact CZ-OE1 2.67Å; R94-E102 IonicContact CZ-OE2 2.85Å; R94-E102 PolarHBondContact N-O 3.44Å; R94-E102 VanDerWaalsContact NE-CD 3.31Å; R94-E102 IonicContact NE-OE1 3.71Å; R94-E102 IonicContact NE-OE2 2.66Å; R94-E102 PolarHBondContact NE-OE2 3.1Å; R94-E102 IonicContact NH2-OE1 3.78Å; R94-E102 PolarHBondContact NH2-OE1 2.93Å; R94-E102 IonicContact NH2-OE2 3.94Å; R94-E102 PolarHBondContact NH2-OE2 3.49Å; R94-E102 PolarHBondContact O-N 3.24Å; E102-V104 VanDerWaalsContact C-N 3.33Å
103	G	92.9	Very high	93.1	Very high	2 Å²	2	39.1 Å²	39.1	2%	0.021	19%	0.189	C	C	.	.	S	Bend	trans	75.1	24.5	-177.3	0	0	0	0	0	113.7	K89 A90 T114 V115	K89-G103 WeakPolarHBondContact O-CA 3.38Å; K89-G103 PolarHBondContact O-N 3.16Å; A90-G103 CarbonylContact O-C 3.43Å; A90-G103 WeakPolarHBondContact O-CA 3.12Å; G103-T114 WeakPolarHBondContact O-CA 3.43Å; G103-V115 PolarHBondContact O-N 3.42Å
104	V	94.9	Very high	93.2	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	151	176.7	-68.4	0	0	0	0	110.9	E101 E102 T112 V113 T114 W163 F172 A184	E101-V104 HydrophobicContact CG-CG1 3.72Å; E101-V104 HydrophobicContact CG-CG2 4.38Å; E101-V104 WeakPolarHBondContact O-CG2 3.46Å; E102-V104 VanDerWaalsContact C-N 3.33Å; V104-T112 HydrophobicContact CB-CG2 3.8Å; V104-T112 HydrophobicContact CG1-CG2 4.29Å; V104-T112 HydrophobicContact CG2-CG2 4.32Å; V104-V113 CarbonylContact C-O 3.59Å; V104-V113 VanDerWaalsContact CA-O 3.28Å; V104-V113 WeakPolarHBondContact CA-O 3.13Å; V104-T114 HydrophobicContact CG1-CG2 3.56Å; V104-W163 HydrophobicContact CB-CZ2 4.49Å; V104-W163 HydrophobicContact CG2-CH2 3.82Å; V104-W163 HydrophobicContact CG2-CZ2 4.02Å; V104-F172 HydrophobicContact CG2-CB 3.69Å; V104-F172 HydrophobicContact CG2-CD1 3.96Å; V104-F172 HydrophobicContact CG2-CG 4.01Å; V104-A184 HydrophobicContact CB-CB 4.44Å; V104-A184 HydrophobicContact CG1-CB 3.54Å
105	V	96.9	Very high	93.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.8	174.9	-61.7	0	0	0	0	110.8	Y27 M29 T112 V113 V115	Y27-V105 CarbonylContact O-C 3.57Å; Y27-V105 WeakPolarHBondContact O-CA 3.28Å; Y27-V105 VanDerWaalsContact O-CB 3.26Å; Y27-V105 WeakPolarHBondContact O-CB 3.32Å; M29-V105 HydrophobicContact CB-CG2 4.43Å; M29-V105 HydrophobicContact CE-CG2 3.44Å; M29-V105 VanDerWaalsContact CE-CG2 3.44Å; M29-V105 HydrophobicContact SD-CG2 4.31Å; V105-T112 WeakPolarHBondContact O-CA 3.15Å; V105-V113 HydrophobicContact CG2-CG2 3.49Å; V105-V113 VanDerWaalsContact CG2-CG2 3.49Å; V105-V113 PolarHBondContact N-O 2.87Å; V105-V113 PolarHBondContact O-N 3.37Å; V105-V115 HydrophobicContact CB-CG2 4.37Å; V105-V115 HydrophobicContact CG1-CG2 3.81Å; V105-V115 HydrophobicContact CG2-CG2 3.64Å
106	L	97.7	Very high	93.8	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.016	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	126.4	172.2	178.4	52.9	0	0	0	109.1	Y27 H28 M29 T111 W163 V166 P169 M304	Y27-L106 PolarHBondContact O-N 3.36Å; H28-L106 CarbonylContact C-O 3.28Å; M29-L106 WeakPolarHBondContact CB-O 3.35Å; M29-L106 PolarHBondContact N-O 2.83Å; L106-T111 WeakPolarHBondContact CD1-O 3.39Å; L106-W163 HydrophobicContact CB-CZ2 4.19Å; L106-V166 HydrophobicContact CD2-CB 4.07Å; L106-V166 HydrophobicContact CD2-CG1 4.43Å; L106-V166 VanDerWaalsContact CD2-O 3.27Å; L106-V166 WeakPolarHBondContact CD2-O 3.45Å; L106-P169 HydrophobicContact CB-CG 4.29Å; L106-P169 HydrophobicContact CD2-CG 4.38Å; L106-M304 HydrophobicContact CD1-CE 3.63Å
107	T	97.5	Very high	94.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	14%	0.137	C	C	.	.			trans	-93.6	153.2	175.3	50.9	0	0	0	0	110.6	M29 D109 G110 T111 V113 Y217	M29-T107 HydrophobicContact CB-CG2 4.05Å; M29-T107 HydrophobicContact CE-CG2 3.97Å; M29-T107 HydrophobicContact CG-CG2 4.3Å; T107-D109 WeakPolarHBondContact CB-OD1 3.27Å; T107-D109 PolarHBondContact O-N 2.66Å; T107-D109 VanDerWaalsContact O-N 3.09Å; T107-D109 PolarHBondContact OG1-OD1 2.82Å; T107-G110 PolarHBondContact O-N 2.8Å; T107-T111 PolarHBondContact N-O 3.27Å; T107-T111 PolarHBondContact OG1-N 2.82Å; T107-T111 PolarHBondContact OG1-O 3.05Å; T107-T111 PolarHBondContact OG1-OG1 3.17Å; T107-V113 HydrophobicContact CG2-CB 4.49Å; T107-V113 HydrophobicContact CG2-CG1 3.82Å; T107-V113 HydrophobicContact CG2-CG2 3.79Å; T107-Y217 HydrophobicContact CG2-CD1 3.53Å; T107-Y217 HydrophobicContact CG2-CE1 3.63Å; T107-Y217 HydrophobicContact CG2-CG 4.41Å
108	P	96.8	Very high	94.6	Very high	30 Å²	30	18.3 Å²	18.3	20%	0.195	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.5	179.5	23.5	-37.7	0	0	0	114.6	E30 G110 Y217 F339	E30-P108 WeakPolarHBondContact OE1-CB 3.35Å; E30-P108 WeakPolarHBondContact OE1-CD 3.33Å; E30-P108 WeakPolarHBondContact OE1-CG 3.11Å; P108-G110 PolarHBondContact O-N 2.99Å; P108-Y217 WeakPolarHBondContact CG-O 3.27Å; P108-F339 WeakPolarHBondContact O-CB 3.12Å
109	D	96.2	Very high	95	Very high	4 Å²	4	14.7 Å²	14.7	2%	0.021	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	7.1	172.1	73.7	-5.9	0	0	0	113.6	T107 T111 S234 Q235 Y373	T107-D109 WeakPolarHBondContact CB-OD1 3.27Å; T107-D109 PolarHBondContact O-N 2.66Å; T107-D109 VanDerWaalsContact O-N 3.09Å; T107-D109 PolarHBondContact OG1-OD1 2.82Å; D109-T111 VanDerWaalsContact C-N 3.3Å; D109-T111 PolarHBondContact O-N 2.92Å; D109-T111 WeakPolarHBondContact OD1-CB 3.26Å; D109-T111 PolarHBondContact OD1-N 3.19Å; D109-T111 PolarHBondContact OD1-OG1 2.86Å; D109-T111 PolarHBondContact OD2-OG1 3.15Å; D109-S234 WeakPolarHBondContact OD2-CB 3.48Å; D109-S234 PolarHBondContact OD2-OG 3.09Å; D109-Q235 HydrophobicContact CB-CG 3.86Å; D109-Y373 HydrophobicContact CB-CE2 3.85Å; D109-Y373 VanDerWaalsContact CG-OH 3.23Å; D109-Y373 WeakPolarHBondContact O-CE2 3.25Å; D109-Y373 PolarHBondContact OD2-OH 3.17Å
110	G	95.5	Very high	95.2	Very high	2 Å²	2	11.3 Å²	11.3	2%	0.021	6%	0.06	C	C	.	.	S	Bend	trans	82	0.4	178.9	0	0	0	0	0	114.9	T107 P108 M304 F339	T107-G110 PolarHBondContact O-N 2.8Å; P108-G110 PolarHBondContact O-N 2.99Å; G110-M304 VanDerWaalsContact O-CE 3.27Å; G110-M304 WeakPolarHBondContact O-CE 3.19Å; G110-F339 VanDerWaalsContact CA-CD2 3.44Å; G110-F339 VanDerWaalsContact CA-CG 3.43Å
111	T	95.8	Very high	95.2	Very high	17 Å²	17	7.3 Å²	7.3	10%	0.104	4%	0.042	C	C	.	.			trans	-87.9	164.4	177	66.6	0	0	0	0	112.4	L106 T107 D109 R237 I300 Y373	L106-T111 WeakPolarHBondContact CD1-O 3.39Å; T107-T111 PolarHBondContact N-O 3.27Å; T107-T111 PolarHBondContact OG1-N 2.82Å; T107-T111 PolarHBondContact OG1-O 3.05Å; T107-T111 PolarHBondContact OG1-OG1 3.17Å; D109-T111 VanDerWaalsContact C-N 3.3Å; D109-T111 PolarHBondContact O-N 2.92Å; D109-T111 WeakPolarHBondContact OD1-CB 3.26Å; D109-T111 PolarHBondContact OD1-N 3.19Å; D109-T111 PolarHBondContact OD1-OG1 2.86Å; D109-T111 PolarHBondContact OD2-OG1 3.15Å; T111-R237 PolarHBondContact OG1-NH1 2.7Å; T111-R237 PolarHBondContact OG1-NH2 3.38Å; T111-I300 HydrophobicContact CG2-CD1 4.45Å; T111-Y373 HydrophobicContact CG2-CE1 3.52Å; T111-Y373 WeakPolarHBondContact CG2-OH 3.38Å
112	T	96.3	Very high	95.2	Very high	5 Å²	5	7.1 Å²	7.1	3%	0.031	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.6	174.4	-59.1	0	0	0	0	109.1	V104 V105 W163 F172 A184 N187	V104-T112 HydrophobicContact CB-CG2 3.8Å; V104-T112 HydrophobicContact CG1-CG2 4.29Å; V104-T112 HydrophobicContact CG2-CG2 4.32Å; V105-T112 WeakPolarHBondContact O-CA 3.15Å; T112-W163 HydrophobicContact CG2-CZ2 3.98Å; T112-W163 PolarHBondContact OG1-NE1 3.44Å; T112-W163 VanDerWaalsContact OG1-NE1 3.08Å; T112-F172 HydrophobicContact CG2-CD1 4.41Å; T112-F172 HydrophobicContact CG2-CD2 4.28Å; T112-F172 HydrophobicContact CG2-CE1 4.12Å; T112-F172 HydrophobicContact CG2-CE2 3.97Å; T112-F172 HydrophobicContact CG2-CG 4.49Å; T112-F172 HydrophobicContact CG2-CZ 3.87Å; T112-A184 HydrophobicContact CG2-CB 3.79Å; T112-A184 WeakPolarHBondContact O-CA 3.44Å; T112-N187 PolarHBondContact O-ND2 3.38Å
113	V	96.4	Very high	95.3	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.8	-177.1	-52.6	0	0	0	0	111.6	M29 V104 V105 T107 N187 Y217	M29-V113 HydrophobicContact CE-CG2 3.49Å; M29-V113 VanDerWaalsContact CE-CG2 3.49Å; V104-V113 CarbonylContact C-O 3.59Å; V104-V113 VanDerWaalsContact CA-O 3.28Å; V104-V113 WeakPolarHBondContact CA-O 3.13Å; V105-V113 HydrophobicContact CG2-CG2 3.49Å; V105-V113 VanDerWaalsContact CG2-CG2 3.49Å; V105-V113 PolarHBondContact N-O 2.87Å; V105-V113 PolarHBondContact O-N 3.37Å; T107-V113 HydrophobicContact CG2-CB 4.49Å; T107-V113 HydrophobicContact CG2-CG1 3.82Å; T107-V113 HydrophobicContact CG2-CG2 3.79Å; V113-N187 HydrophobicContact CB-CB 4.42Å; V113-N187 HydrophobicContact CG1-CB 3.8Å; V113-Y217 HydrophobicContact CG1-CE1 4.4Å
114	T	94.9	Very high	95.3	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	132	165.2	57.5	0	0	0	0	110.8	H93 G103 V104 P117 A184 Q185 G188	H93-T114 WeakPolarHBondContact CD2-CG2 3.3Å; G103-T114 WeakPolarHBondContact O-CA 3.43Å; V104-T114 HydrophobicContact CG1-CG2 3.56Å; T114-P117 WeakPolarHBondContact OG1-CD 3.2Å; T114-P117 WeakPolarHBondContact OG1-CG 3.1Å; T114-A184 HydrophobicContact CG2-CB 4.07Å; T114-A184 PolarHBondContact N-O 2.71Å; T114-A184 PolarHBondContact OG1-O 2.51Å; T114-Q185 HydrophobicContact CG2-CB 4.28Å; T114-Q185 HydrophobicContact CG2-CG 3.64Å; T114-Q185 WeakPolarHBondContact OG1-CA 3.41Å; T114-G188 WeakPolarHBondContact O-CA 3.33Å
115	V	95.6	Very high	95.1	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-80.9	-34.1	-173.3	-178.1	0	0	0	0	112.8	F32 V91 G103 V105 L118 L119	F32-V115 HydrophobicContact CD2-CG1 4.4Å; F32-V115 HydrophobicContact CE1-CG1 3.89Å; F32-V115 HydrophobicContact CE2-CG1 3.64Å; F32-V115 HydrophobicContact CZ-CG1 3.37Å; V91-V115 HydrophobicContact CG1-CG1 4.49Å; V91-V115 HydrophobicContact CG2-CB 4.33Å; V91-V115 HydrophobicContact CG2-CG1 3.89Å; G103-V115 PolarHBondContact O-N 3.42Å; V105-V115 HydrophobicContact CB-CG2 4.37Å; V105-V115 HydrophobicContact CG1-CG2 3.81Å; V105-V115 HydrophobicContact CG2-CG2 3.64Å; V115-L118 WeakPolarHBondContact O-CB 3.16Å; V115-L118 PolarHBondContact O-N 3.25Å; V115-L119 HydrophobicContact CG1-CD1 3.87Å; V115-L119 HydrophobicContact CG1-CD2 4.23Å; V115-L119 HydrophobicContact CG1-CG 3.81Å; V115-L119 WeakPolarHBondContact O-CG 2.95Å; V115-L119 PolarHBondContact O-N 3.31Å
116	A	94.5	Very high	94.8	Very high	8 Å²	8	5.7 Å²	5.7	7%	0.066	4%	0.035	C	C	.	.	H	α-helix	trans	-51.8	-56.5	-178.8	0	0	0	0	0	115	L61 V91 L118 L119 L120	L61-A116 HydrophobicContact CD1-CB 3.73Å; L61-A116 HydrophobicContact CD2-CB 4.11Å; V91-A116 HydrophobicContact CG1-CB 4.17Å; V91-A116 WeakPolarHBondContact O-CB 3.45Å; A116-L118 VanDerWaalsContact C-N 3.27Å; A116-L118 PolarHBondContact O-N 3.11Å; A116-L119 PolarHBondContact O-N 2.91Å; A116-L120 VanDerWaalsContact O-CG 3.3Å; A116-L120 WeakPolarHBondContact O-CG 3.42Å; A116-L120 PolarHBondContact O-N 3.19Å; A116-L120 VanDerWaalsContact O-N 3.15Å
117	P	93.1	Very high	94.4	Very high	10 Å²	10	8.5 Å²	8.5	7%	0.065	5%	0.05	C	C	.	.	H	α-helix	trans	-67.4	-27.9	-179.1	26.6	-34.7	0	0	0	113.2	T114 G121 R189	T114-P117 WeakPolarHBondContact OG1-CD 3.2Å; T114-P117 WeakPolarHBondContact OG1-CG 3.1Å; P117-G121 PolarHBondContact O-N 2.94Å; P117-R189 HydrophobicContact CB-CB 4.41Å; P117-R189 HydrophobicContact CB-CG 3.54Å; P117-R189 HydrophobicContact CG-CG 3.85Å
118	L	95.1	Very high	93.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.8	-55	172.9	164.9	67.8	0	0	0	110.6	M29 V115 A116 L120 G121 I122 G188 D191 L195 L213 Y217	M29-L118 HydrophobicContact CE-CD2 4.39Å; V115-L118 WeakPolarHBondContact O-CB 3.16Å; V115-L118 PolarHBondContact O-N 3.25Å; A116-L118 VanDerWaalsContact C-N 3.27Å; A116-L118 PolarHBondContact O-N 3.11Å; L118-L120 VanDerWaalsContact C-N 3.35Å; L118-L120 PolarHBondContact O-N 3.21Å; L118-G121 PolarHBondContact O-N 3.32Å; L118-I122 HydrophobicContact CD1-CD1 3.7Å; L118-I122 HydrophobicContact CD1-CG1 4.3Å; L118-I122 HydrophobicContact CG-CD1 4.07Å; L118-I122 WeakPolarHBondContact O-CG1 3.41Å; L118-I122 PolarHBondContact O-N 3.21Å; L118-I122 VanDerWaalsContact O-N 3.09Å; L118-G188 WeakPolarHBondContact CA-O 3.48Å; L118-G188 PolarHBondContact N-O 3.3Å; L118-D191 HydrophobicContact CD1-CB 3.77Å; L118-L195 HydrophobicContact CD1-CD1 3.84Å; L118-L213 HydrophobicContact CD2-CD2 4.11Å; L118-Y217 HydrophobicContact CD2-CE2 3.9Å; L118-Y217 WeakPolarHBondContact CD2-OH 3.41Å
119	L	95.1	Very high	92.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.6	-42.8	-178.8	-60.7	-177.2	0	0	0	111.9	F32 L52 L55 V91 V115 A116 G121 I122 E123	F32-L119 HydrophobicContact CE1-CD2 4.43Å; F32-L119 HydrophobicContact CZ-CD1 4.3Å; F32-L119 HydrophobicContact CZ-CD2 4.29Å; L52-L119 HydrophobicContact CD2-CB 3.92Å; L52-L119 HydrophobicContact CD2-CD2 3.73Å; L52-L119 HydrophobicContact CD2-CG 4.3Å; L55-L119 HydrophobicContact CB-CD1 4.11Å; L55-L119 HydrophobicContact CD1-CD1 4.04Å; L55-L119 HydrophobicContact CD1-CD2 4.32Å; V91-L119 HydrophobicContact CG1-CD1 3.92Å; V91-L119 HydrophobicContact CG2-CD1 4.13Å; V115-L119 HydrophobicContact CG1-CD1 3.87Å; V115-L119 HydrophobicContact CG1-CD2 4.23Å; V115-L119 HydrophobicContact CG1-CG 3.81Å; V115-L119 WeakPolarHBondContact O-CG 2.95Å; V115-L119 PolarHBondContact O-N 3.31Å; A116-L119 PolarHBondContact O-N 2.91Å; L119-G121 VanDerWaalsContact C-N 3.3Å; L119-G121 PolarHBondContact O-N 3.09Å; L119-I122 PolarHBondContact O-N 3.42Å; L119-E123 WeakPolarHBondContact O-CB 3.3Å; L119-E123 PolarHBondContact O-N 3.2Å
120	L	94.5	Very high	91.4	Very high	10 Å²	10	18.9 Å²	18.9	5%	0.052	10%	0.097	C	C	.	.	H	α-helix	trans	-61.6	-38.5	178	-68.9	173.9	0	0	0	112.4	I66 L70 A116 L118 A124 L137	I66-L120 HydrophobicContact CD1-CD1 4.19Å; I66-L120 HydrophobicContact CD1-CD2 4.18Å; I66-L120 HydrophobicContact CG1-CD1 4.39Å; I66-L120 HydrophobicContact CG1-CD2 4.25Å; I66-L120 HydrophobicContact CG2-CD2 3.93Å; L70-L120 HydrophobicContact CD1-CD2 3.66Å; A116-L120 VanDerWaalsContact O-CG 3.3Å; A116-L120 WeakPolarHBondContact O-CG 3.42Å; A116-L120 PolarHBondContact O-N 3.19Å; A116-L120 VanDerWaalsContact O-N 3.15Å; L118-L120 VanDerWaalsContact C-N 3.35Å; L118-L120 PolarHBondContact O-N 3.21Å; L120-A124 VanDerWaalsContact O-CB 3.3Å; L120-A124 WeakPolarHBondContact O-CB 3.46Å; L120-A124 PolarHBondContact O-N 3.39Å; L120-L137 HydrophobicContact CB-CB 4.15Å
121	G	93.3	Very high	90.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.3	-46	177	0	0	0	0	0	112.4	P117 L118 L119 G125 G192 G196	P117-G121 PolarHBondContact O-N 2.94Å; L118-G121 PolarHBondContact O-N 3.32Å; L119-G121 VanDerWaalsContact C-N 3.3Å; L119-G121 PolarHBondContact O-N 3.09Å; G121-G125 PolarHBondContact O-N 3Å; G121-G125 VanDerWaalsContact O-N 3.07Å; G121-G192 CarbonylContact C-O 3.21Å; G121-G192 VanDerWaalsContact CA-O 3.27Å; G121-G192 WeakPolarHBondContact CA-O 3.45Å; G121-G196 VanDerWaalsContact O-CA 3.23Å; G121-G196 WeakPolarHBondContact O-CA 3.04Å
122	I	93.8	Very high	89.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.1	-51.1	177.4	-65.5	169.5	0	0	0	110.7	L52 L118 L119 A124 G125 I126 L195 I199 L209 L212 L213	L52-I122 HydrophobicContact CD1-CB 4.4Å; L52-I122 HydrophobicContact CD1-CG2 3.77Å; L118-I122 HydrophobicContact CD1-CD1 3.7Å; L118-I122 HydrophobicContact CD1-CG1 4.3Å; L118-I122 HydrophobicContact CG-CD1 4.07Å; L118-I122 WeakPolarHBondContact O-CG1 3.41Å; L118-I122 PolarHBondContact O-N 3.21Å; L118-I122 VanDerWaalsContact O-N 3.09Å; L119-I122 PolarHBondContact O-N 3.42Å; I122-A124 VanDerWaalsContact C-N 3.31Å; I122-A124 PolarHBondContact O-N 2.86Å; I122-G125 WeakPolarHBondContact O-CA 3.36Å; I122-G125 PolarHBondContact O-N 3.07Å; I122-I126 HydrophobicContact CG2-CD1 3.75Å; I122-I126 HydrophobicContact CG2-CG1 4.39Å; I122-I126 WeakPolarHBondContact O-CG1 3.38Å; I122-I126 PolarHBondContact O-N 3.33Å; I122-L195 HydrophobicContact CD1-CB 4.44Å; I122-L195 HydrophobicContact CD1-CD1 3.89Å; I122-L195 HydrophobicContact CG1-CB 3.83Å; I122-L195 HydrophobicContact CG1-CD1 4.2Å; I122-I199 HydrophobicContact CG2-CD1 3.87Å; I122-L209 HydrophobicContact CD1-CD1 4.16Å; I122-L209 HydrophobicContact CG2-CD1 4.13Å; I122-L212 HydrophobicContact CD1-CD2 4.24Å; I122-L212 HydrophobicContact CG2-CD2 4.08Å; I122-L213 HydrophobicContact CD1-CD2 4Å
123	E	94	Very high	88.3	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-42.1	-177.2	-166.6	-180	159.9	0	0	111.9	L52 R56 L70 L119 G125 I126 L127	L52-E123 HydrophobicContact CB-CB 4.13Å; L52-E123 HydrophobicContact CB-CG 3.99Å; L52-E123 HydrophobicContact CD1-CB 3.78Å; L52-E123 HydrophobicContact CD1-CG 4.19Å; L52-E123 HydrophobicContact CG-CB 4.43Å; R56-E123 WeakPolarHBondContact CD-OE2 3.47Å; R56-E123 IonicContact CZ-OE1 3.72Å; R56-E123 VanDerWaalsContact CZ-OE1 3.3Å; R56-E123 IonicContact CZ-OE2 3.48Å; R56-E123 VanDerWaalsContact NE-CD 3.3Å; R56-E123 IonicContact NE-OE1 3.67Å; R56-E123 PolarHBondContact NE-OE1 2.72Å; R56-E123 VanDerWaalsContact NE-OE1 3.16Å; R56-E123 IonicContact NE-OE2 2.82Å; R56-E123 PolarHBondContact NE-OE2 3.5Å; R56-E123 IonicContact NH2-OE1 3.46Å; R56-E123 PolarHBondContact NH2-OE1 2.94Å; R56-E123 IonicContact NH2-OE2 3.61Å; L70-E123 HydrophobicContact CD1-CB 4.26Å; L70-E123 HydrophobicContact CD1-CG 4.32Å; L70-E123 HydrophobicContact CD2-CB 4.29Å; L70-E123 HydrophobicContact CD2-CG 4.05Å; L119-E123 WeakPolarHBondContact O-CB 3.3Å; L119-E123 PolarHBondContact O-N 3.2Å; E123-G125 VanDerWaalsContact C-N 3.27Å; E123-G125 PolarHBondContact O-N 3.4Å; E123-I126 PolarHBondContact O-N 2.87Å; E123-L127 HydrophobicContact CG-CD1 3.98Å; E123-L127 HydrophobicContact CG-CG 4.45Å; E123-L127 WeakPolarHBondContact O-CB 3.41Å; E123-L127 WeakPolarHBondContact O-CG 3.48Å; E123-L127 PolarHBondContact O-N 2.9Å
124	A	92.4	Very high	87.3	Confident	2 Å²	2	33.4 Å²	33.4	2%	0.017	15%	0.152	C	C	.	.	H	α-helix	trans	-65	-32.1	175.6	0	0	0	0	0	112.9	L70 L120 I122 K128 A133 H134 L137	L70-A124 HydrophobicContact CD2-CB 4.07Å; L120-A124 VanDerWaalsContact O-CB 3.3Å; L120-A124 WeakPolarHBondContact O-CB 3.46Å; L120-A124 PolarHBondContact O-N 3.39Å; I122-A124 VanDerWaalsContact C-N 3.31Å; I122-A124 PolarHBondContact O-N 2.86Å; A124-K128 PolarHBondContact O-N 3.31Å; A124-A133 HydrophobicContact CB-CB 3.94Å; A124-H134 HydrophobicContact CB-CB 4.01Å; A124-L137 HydrophobicContact CB-CD1 3.74Å
125	G	91.5	Very high	86.4	Confident	0 Å²	0	35 Å²	35	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.8	-46	173	0	0	0	0	0	112.6	G121 I122 E123 K128 G196	G121-G125 PolarHBondContact O-N 3Å; G121-G125 VanDerWaalsContact O-N 3.07Å; I122-G125 WeakPolarHBondContact O-CA 3.36Å; I122-G125 PolarHBondContact O-N 3.07Å; E123-G125 VanDerWaalsContact C-N 3.27Å; E123-G125 PolarHBondContact O-N 3.4Å; G125-K128 WeakPolarHBondContact O-CG 3.43Å; G125-G196 WeakPolarHBondContact CA-O 3.47Å
126	I	90.7	Very high	85.6	Confident	26 Å²	26	36 Å²	36	13%	0.133	17%	0.166	C	C	.	.	H	α-helix	trans	-63.2	-52.7	179.4	-65.6	164.6	0	0	0	110.9	P48 A49 L52 I122 E123 K128 I199 L206	P48-I126 HydrophobicContact CB-CD1 4Å; A49-I126 HydrophobicContact CB-CG2 3.99Å; L52-I126 HydrophobicContact CD1-CD1 3.53Å; I122-I126 HydrophobicContact CG2-CD1 3.75Å; I122-I126 HydrophobicContact CG2-CG1 4.39Å; I122-I126 WeakPolarHBondContact O-CG1 3.38Å; I122-I126 PolarHBondContact O-N 3.33Å; E123-I126 PolarHBondContact O-N 2.87Å; I126-K128 VanDerWaalsContact C-N 3.28Å; I126-K128 PolarHBondContact O-N 2.95Å; I126-I199 HydrophobicContact CG1-CG2 3.75Å; I126-L206 HydrophobicContact CD1-CD2 4.37Å; I126-L206 HydrophobicContact CG1-CD2 3.87Å; I126-L206 HydrophobicContact CG2-CD1 4.02Å; I126-L206 HydrophobicContact CG2-CD2 4.32Å
127	L	89.9	Confident	85	Confident	62 Å²	62	35.9 Å²	35.9	33%	0.325	16%	0.163	S	C	.	.	H	α-helix	trans	-75.7	-18.4	-172.1	-67.9	178.5	0	0	0	113.4	A49 L70 P71 E123 T129	A49-L127 HydrophobicContact CB-CD2 3.68Å; A49-L127 HydrophobicContact CB-CG 4.12Å; L70-L127 HydrophobicContact CD2-CD1 4.13Å; P71-L127 HydrophobicContact CG-CD1 3.83Å; E123-L127 HydrophobicContact CG-CD1 3.98Å; E123-L127 HydrophobicContact CG-CG 4.45Å; E123-L127 WeakPolarHBondContact O-CB 3.41Å; E123-L127 WeakPolarHBondContact O-CG 3.48Å; E123-L127 PolarHBondContact O-N 2.9Å; L127-T129 HydrophobicContact CB-CG2 3.41Å; L127-T129 VanDerWaalsContact CB-CG2 3.41Å; L127-T129 HydrophobicContact CD1-CG2 3.89Å; L127-T129 HydrophobicContact CG-CG2 4.3Å; L127-T129 PolarHBondContact O-N 3.35Å
128	K	85	Confident	84.4	Confident	106 Å²	106	35.4 Å²	35.4	46%	0.461	16%	0.161	S	C	.	.			trans	50	25	-175.7	-55.5	-179.7	-175.8	-178.7	0	113.2	A124 G125 I126 K130 S200 S203	A124-K128 PolarHBondContact O-N 3.31Å; G125-K128 WeakPolarHBondContact O-CG 3.43Å; I126-K128 VanDerWaalsContact C-N 3.28Å; I126-K128 PolarHBondContact O-N 2.95Å; K128-K130 VanDerWaalsContact C-N 3.32Å; K128-K130 PolarHBondContact O-N 2.98Å; K128-K130 VanDerWaalsContact O-N 3.16Å; K128-S200 WeakPolarHBondContact CE-O 3.38Å; K128-S203 PolarHBondContact NZ-OG 3.23Å
129	T	66.2	Low	83.2	Confident	59 Å²	59	36.4 Å²	36.4	36%	0.362	17%	0.166	S	C	.	.			trans	-54.2	-44	-163.9	51.9	0	0	0	0	113.6	F69 L127	F69-T129 VanDerWaalsContact O-CB 3.24Å; F69-T129 WeakPolarHBondContact O-CB 3.24Å; F69-T129 WeakPolarHBondContact O-CG2 3.33Å; F69-T129 PolarHBondContact O-OG1 3.26Å; L127-T129 HydrophobicContact CB-CG2 3.41Å; L127-T129 VanDerWaalsContact CB-CG2 3.41Å; L127-T129 HydrophobicContact CD1-CG2 3.89Å; L127-T129 HydrophobicContact CG-CG2 4.3Å; L127-T129 PolarHBondContact O-N 3.35Å
130	K	75.2	Confident	81.4	Confident	89 Å²	89	36.4 Å²	36.4	39%	0.387	17%	0.166	S	C	.	.	S	Bend	trans	-141.7	145.8	179	-69.2	-178.5	174.2	171.9	0	109.7	H68 F69 K128 Q132 A133	H68-K130 PolarHBondContact CD2-NZ 2.64Å; H68-K130 PolarHBondContact CE1-NZ 3.47Å; H68-K130 VanDerWaalsContact CE1-NZ 3.3Å; H68-K130 PolarHBondContact NE2-NZ 3.47Å; H68-K130 WeakPolarHBondContact O-CE 3.48Å; H68-K130 PolarHBondContact O-NZ 2.63Å; F69-K130 HydrophobicContact CD1-CB 4.33Å; F69-K130 HydrophobicContact CD1-CD 4.06Å; F69-K130 HydrophobicContact CE1-CD 4.4Å; K128-K130 VanDerWaalsContact C-N 3.32Å; K128-K130 PolarHBondContact O-N 2.98Å; K128-K130 VanDerWaalsContact O-N 3.16Å; K130-Q132 PolarHBondContact O-N 3.3Å; K130-A133 HydrophobicContact CB-CB 4.26Å; K130-A133 WeakPolarHBondContact O-CB 3.19Å; K130-A133 PolarHBondContact O-N 3.05Å
131	R	72.9	Confident	79.5	Confident	227 Å²	227	39 Å²	39	86%	0.857	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	118.7	177.3	-172.6	176.2	-177	179.5	3.3	109.9	A133	R131-A133 VanDerWaalsContact C-N 3.3Å; R131-A133 PolarHBondContact O-N 3.3Å
132	Q	73.9	Confident	77.8	Confident	83 Å²	83	40.5 Å²	40.5	39%	0.388	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	32.4	178.9	-58.9	171.3	-11.4	0	0	114.5	K130 H134 I135 H136	K130-Q132 PolarHBondContact O-N 3.3Å; Q132-H134 VanDerWaalsContact C-N 3.32Å; Q132-H134 PolarHBondContact O-N 2.77Å; Q132-I135 HydrophobicContact CB-CB 4.31Å; Q132-I135 HydrophobicContact CB-CD1 3.84Å; Q132-I135 HydrophobicContact CB-CG1 4.03Å; Q132-I135 HydrophobicContact CG-CD1 3.84Å; Q132-I135 PolarHBondContact O-N 3.46Å; Q132-H136 PolarHBondContact O-CD2 2.82Å; Q132-H136 PolarHBondContact O-N 3.08Å
133	A	76.6	Confident	76	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.2	-43.3	174.9	0	0	0	0	0	112.4	F69 A124 K130 R131 I135 H136 L137	F69-A133 HydrophobicContact CB-CB 4.29Å; F69-A133 HydrophobicContact CD1-CB 3.77Å; F69-A133 HydrophobicContact CG-CB 4.36Å; A124-A133 HydrophobicContact CB-CB 3.94Å; K130-A133 HydrophobicContact CB-CB 4.26Å; K130-A133 WeakPolarHBondContact O-CB 3.19Å; K130-A133 PolarHBondContact O-N 3.05Å; R131-A133 VanDerWaalsContact C-N 3.3Å; R131-A133 PolarHBondContact O-N 3.3Å; A133-I135 VanDerWaalsContact C-N 3.28Å; A133-I135 PolarHBondContact O-N 3.37Å; A133-H136 PolarHBondContact O-N 2.92Å; A133-L137 PolarHBondContact O-N 2.97Å
134	H	74.4	Confident	73.9	Confident	18 Å²	18	41.9 Å²	41.9	8%	0.083	20%	0.195	C	C	.	.	H	α-helix	trans	-53.5	-44.5	176.4	52.8	-91.6	0	0	0	111.4	A124 Q132 H136 L137 T138 T197	A124-H134 HydrophobicContact CB-CB 4.01Å; Q132-H134 VanDerWaalsContact C-N 3.32Å; Q132-H134 PolarHBondContact O-N 2.77Å; H134-H136 PolarHBondContact O-N 3.36Å; H134-L137 PolarHBondContact O-N 3.31Å; H134-T138 WeakPolarHBondContact O-CB 3.42Å; H134-T138 VanDerWaalsContact O-CG2 3.28Å; H134-T138 WeakPolarHBondContact O-CG2 3.47Å; H134-T138 PolarHBondContact O-N 3.24Å; H134-T138 PolarHBondContact O-OG1 3.34Å; H134-T197 PolarHBondContact CD2-OG1 3.37Å; H134-T197 PolarHBondContact NE2-OG1 2.9Å
135	I	76.8	Confident	72	Confident	35 Å²	35	44 Å²	44	18%	0.179	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-40.4	178	-50.6	-172.5	0	0	0	111.7	Q132 A133 L139 M193 K253	Q132-I135 HydrophobicContact CB-CB 4.31Å; Q132-I135 HydrophobicContact CB-CD1 3.84Å; Q132-I135 HydrophobicContact CB-CG1 4.03Å; Q132-I135 HydrophobicContact CG-CD1 3.84Å; Q132-I135 PolarHBondContact O-N 3.46Å; A133-I135 VanDerWaalsContact C-N 3.28Å; A133-I135 PolarHBondContact O-N 3.37Å; I135-L139 HydrophobicContact CG2-CD1 3.46Å; I135-L139 VanDerWaalsContact CG2-CD1 3.46Å; I135-L139 HydrophobicContact CG2-CG 4.22Å; I135-L139 VanDerWaalsContact O-CB 3.28Å; I135-L139 WeakPolarHBondContact O-CB 3.42Å; I135-L139 WeakPolarHBondContact O-CD1 3.16Å; I135-L139 WeakPolarHBondContact O-CG 3.45Å; I135-L139 PolarHBondContact O-N 2.92Å; I135-M193 HydrophobicContact CG1-SD 4.38Å; I135-M193 HydrophobicContact CG2-SD 4.39Å; I135-K253 HydrophobicContact CG2-CD 4.35Å; I135-K253 HydrophobicContact CG2-CG 3.73Å
136	H	79.2	Confident	70.2	Confident	21 Å²	21	44.7 Å²	44.7	10%	0.097	21%	0.212	C	C	.	.	H	α-helix	trans	-69.4	-43.2	179.8	-76.5	-66	0	0	0	111.9	F65 F69 Q132 A133 H134 L139 A140 K253 T257	F65-H136 HydrophobicContact CZ-CB 4.49Å; F69-H136 HydrophobicContact CE1-CB 3.96Å; F69-H136 AromaticContact CE1-CD2 3.81Å; F69-H136 HydrophobicContact CE2-CB 3.9Å; F69-H136 HydrophobicContact CZ-CB 3.49Å; F69-H136 VanDerWaalsContact CZ-CB 3.49Å; F69-H136 AromaticContact CZ-CD2 3.85Å; F69-H136 AromaticContact CZ-CG 3.72Å; Q132-H136 PolarHBondContact O-CD2 2.82Å; Q132-H136 PolarHBondContact O-N 3.08Å; A133-H136 PolarHBondContact O-N 2.92Å; H134-H136 PolarHBondContact O-N 3.36Å; H136-L139 PolarHBondContact O-N 3.38Å; H136-A140 VanDerWaalsContact O-CB 3.27Å; H136-A140 WeakPolarHBondContact O-CB 3.49Å; H136-A140 PolarHBondContact O-N 3.08Å; H136-K253 PolarHBondContact CD2-NZ 3.44Å; H136-K253 VanDerWaalsContact CD2-NZ 3.33Å; H136-K253 WeakPolarHBondContact CE1-CE 3.36Å; H136-K253 PolarHBondContact CE1-NZ 3.27Å; H136-K253 WeakPolarHBondContact NE2-CE 3.48Å; H136-K253 PolarHBondContact NE2-NZ 2.94Å; H136-T257 HydrophobicContact CB-CG2 3.89Å; H136-T257 PolarHBondContact CE1-OG1 3.44Å; H136-T257 WeakPolarHBondContact ND1-CG2 3.28Å; H136-T257 PolarHBondContact ND1-OG1 3.34Å
137	L	81.8	Confident	68.3	Low	4 Å²	4	46.2 Å²	46.2	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-68.3	-35	-179.4	-70.7	164.3	0	0	0	112.2	F65 I66 F69 L70 L120 A124 A133 H134	F65-L137 HydrophobicContact CD1-CD2 4.33Å; F65-L137 HydrophobicContact CE1-CD2 4.09Å; I66-L137 HydrophobicContact CG1-CD2 4.32Å; F69-L137 HydrophobicContact CB-CD1 3.83Å; F69-L137 HydrophobicContact CB-CD2 4.18Å; F69-L137 HydrophobicContact CB-CG 4.12Å; F69-L137 HydrophobicContact CD2-CD2 3.94Å; F69-L137 HydrophobicContact CD2-CG 4.13Å; F69-L137 HydrophobicContact CG-CD1 4.43Å; F69-L137 HydrophobicContact CG-CD2 4.39Å; F69-L137 HydrophobicContact CG-CG 4.25Å; L70-L137 HydrophobicContact CD1-CD1 3.93Å; L70-L137 HydrophobicContact CD2-CD1 4.27Å; L70-L137 HydrophobicContact CG-CD1 3.93Å; L120-L137 HydrophobicContact CB-CB 4.15Å; A124-L137 HydrophobicContact CB-CD1 3.74Å; A133-L137 PolarHBondContact O-N 2.97Å; H134-L137 PolarHBondContact O-N 3.31Å
138	T	79.1	Confident	66.4	Low	1 Å²	1	50.3 Å²	50.3	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-86.4	-8.4	179.5	62.8	0	0	0	0	114.5	H134 R189 M193	H134-T138 WeakPolarHBondContact O-CB 3.42Å; H134-T138 VanDerWaalsContact O-CG2 3.28Å; H134-T138 WeakPolarHBondContact O-CG2 3.47Å; H134-T138 PolarHBondContact O-N 3.24Å; H134-T138 PolarHBondContact O-OG1 3.34Å; T138-R189 WeakPolarHBondContact O-CB 3.45Å; T138-R189 WeakPolarHBondContact O-CD 3.32Å; T138-R189 WeakPolarHBondContact O-CG 3.27Å; T138-R189 PolarHBondContact O-NH1 3.42Å; T138-M193 HydrophobicContact CG2-CB 4.38Å
139	L	71.1	Confident	64.8	Low	21 Å²	21	54.6 Å²	54.6	11%	0.11	24%	0.242	C	C	.	.	H	α-helix	trans	-109	-26.2	-179.1	-68.6	-180	0	0	0	115.9	I135 H136 L250 K253	I135-L139 HydrophobicContact CG2-CD1 3.46Å; I135-L139 VanDerWaalsContact CG2-CD1 3.46Å; I135-L139 HydrophobicContact CG2-CG 4.22Å; I135-L139 VanDerWaalsContact O-CB 3.28Å; I135-L139 WeakPolarHBondContact O-CB 3.42Å; I135-L139 WeakPolarHBondContact O-CD1 3.16Å; I135-L139 WeakPolarHBondContact O-CG 3.45Å; I135-L139 PolarHBondContact O-N 2.92Å; H136-L139 PolarHBondContact O-N 3.38Å; L139-L250 HydrophobicContact CD1-CD1 3.5Å; L139-L250 VanDerWaalsContact CD1-CD1 3.5Å; L139-L250 HydrophobicContact CD2-CD1 3.65Å; L139-L250 HydrophobicContact CG-CD1 4.25Å; L139-K253 HydrophobicContact CD1-CB 4.45Å; L139-K253 HydrophobicContact CD1-CG 4.14Å
140	A	56.8	Low	64.1	Low	0 Å²	0	54.4 Å²	54.4	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-104.8	-37.6	-150.2	0	0	0	0	0	117.7	F65 H136 D142 L143 T257 Q261	F65-A140 HydrophobicContact CE1-CB 4.25Å; F65-A140 HydrophobicContact CE2-CB 4.45Å; F65-A140 HydrophobicContact CZ-CB 3.75Å; H136-A140 VanDerWaalsContact O-CB 3.27Å; H136-A140 WeakPolarHBondContact O-CB 3.49Å; H136-A140 PolarHBondContact O-N 3.08Å; A140-D142 VanDerWaalsContact C-N 3.27Å; A140-D142 PolarHBondContact O-N 2.59Å; A140-D142 VanDerWaalsContact O-N 3.1Å; A140-L143 PolarHBondContact O-N 3.01Å; A140-T257 HydrophobicContact CB-CG2 3.03Å; A140-Q261 PolarHBondContact O-OE1 3.5Å; A140-Q261 VanDerWaalsContact O-OE1 3.14Å
141	K	55.9	Low	62.7	Low	64 Å²	64	53.5 Å²	53.5	28%	0.278	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-36.2	-158.6	-172.2	172.6	165.5	174.1	0	113.8	D63 Q261	D63-K141 WeakPolarHBondContact OD2-CE 3.47Å; D63-K141 IonicContact OD2-NZ 2.94Å; D63-K141 PolarHBondContact OD2-NZ 3.41Å; K141-Q261 PolarHBondContact O-NE2 3.11Å; K141-Q261 PolarHBondContact O-OE1 3.23Å
142	D	56.7	Low	61.7	Low	32 Å²	32	48.7 Å²	48.7	17%	0.171	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-13	-170.7	-42	-39.6	0	0	0	114.2	A140 V145 S146 F181 Q185 R189	A140-D142 VanDerWaalsContact C-N 3.27Å; A140-D142 PolarHBondContact O-N 2.59Å; A140-D142 VanDerWaalsContact O-N 3.1Å; D142-V145 PolarHBondContact O-N 3.33Å; D142-S146 VanDerWaalsContact O-CB 3.27Å; D142-S146 WeakPolarHBondContact O-CB 3.43Å; D142-S146 PolarHBondContact O-N 2.9Å; D142-S146 PolarHBondContact O-OG 2.72Å; D142-F181 HydrophobicContact CB-CD1 4.19Å; D142-F181 HydrophobicContact CB-CE1 3.61Å; D142-F181 HydrophobicContact CB-CZ 4.44Å; D142-Q185 PolarHBondContact OD2-NE2 2.97Å; D142-Q185 VanDerWaalsContact OD2-NE2 3.08Å; D142-R189 IonicContact OD2-CZ 2.72Å; D142-R189 IonicContact OD2-NH2 3.93Å; D142-R189 PolarHBondContact OD2-NH2 2.73Å
143	L	55.9	Low	60.7	Low	18 Å²	18	46.2 Å²	46.2	9%	0.094	24%	0.24	C	C	.	.	H	α-helix	trans	-67.8	-36.8	174.9	-77	169	0	0	0	112.2	A140 V145 F147 L180 F181 T254 V258	A140-L143 PolarHBondContact O-N 3.01Å; L143-V145 VanDerWaalsContact C-N 3.34Å; L143-F147 PolarHBondContact O-N 3.12Å; L143-L180 HydrophobicContact CD2-CB 4.46Å; L143-L180 HydrophobicContact CD2-CD1 3.97Å; L143-L180 HydrophobicContact CD2-CD2 4.25Å; L143-L180 HydrophobicContact CD2-CG 4.48Å; L143-F181 HydrophobicContact CD1-CE2 3.9Å; L143-F181 HydrophobicContact CD1-CZ 4.11Å; L143-F181 HydrophobicContact CD2-CD2 4.29Å; L143-F181 HydrophobicContact CD2-CE2 3.53Å; L143-F181 HydrophobicContact CD2-CZ 4.09Å; L143-F181 HydrophobicContact CG-CE2 3.45Å; L143-F181 VanDerWaalsContact CG-CE2 3.45Å; L143-F181 HydrophobicContact CG-CZ 3.54Å; L143-T254 HydrophobicContact CD1-CG2 3.33Å; L143-V258 HydrophobicContact CB-CG2 4.21Å
144	G	50.2	Low	59.8	Low	12 Å²	12	52 Å²	52	12%	0.124	28%	0.276	C	S	.	.	H	α-helix	trans	-69.7	-29.7	176.4	0	0	0	0	0	113.6
145	V	51.9	Low	59.4	Low	45 Å²	45	56.5 Å²	56.5	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-78.9	-42.3	176.7	178.9	0	0	0	0	110.6	D142 L143 F147 R148	D142-V145 PolarHBondContact O-N 3.33Å; L143-V145 VanDerWaalsContact C-N 3.34Å; V145-F147 VanDerWaalsContact C-N 3.35Å; V145-F147 PolarHBondContact O-N 3.08Å; V145-R148 PolarHBondContact O-N 3.47Å
146	S	53.1	Low	59.1	Low	15 Å²	15	57 Å²	57	11%	0.105	30%	0.296	C	S	.	.	H	α-helix	trans	-72.4	-24.8	-174.5	-55.5	0	0	0	0	113.5	D142 R148 R149 H150 L180	D142-S146 VanDerWaalsContact O-CB 3.27Å; D142-S146 WeakPolarHBondContact O-CB 3.43Å; D142-S146 PolarHBondContact O-N 2.9Å; D142-S146 PolarHBondContact O-OG 2.72Å; S146-R148 PolarHBondContact O-N 2.99Å; S146-R149 CarbonylContact O-C 3.58Å; S146-R149 PolarHBondContact O-N 3.34Å; S146-H150 PolarHBondContact O-N 3.46Å; S146-L180 PolarHBondContact OG-O 2.86Å
147	F	51.6	Low	58.8	Low	59 Å²	59	56.4 Å²	56.4	26%	0.259	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.2	169.6	-177.8	-95.9	0	0	0	113	L143 V145 R149 T274 K277 L278 V281	L143-F147 PolarHBondContact O-N 3.12Å; V145-F147 VanDerWaalsContact C-N 3.35Å; V145-F147 PolarHBondContact O-N 3.08Å; F147-R149 VanDerWaalsContact C-N 3.27Å; F147-R149 PolarHBondContact O-N 3.33Å; F147-T274 HydrophobicContact CE1-CG2 3.79Å; F147-T274 HydrophobicContact CZ-CG2 4.13Å; F147-K277 HydrophobicContact CE2-CB 4.12Å; F147-K277 HydrophobicContact CZ-CB 4.01Å; F147-L278 HydrophobicContact CB-CD1 4.23Å; F147-L278 HydrophobicContact CD2-CB 4.29Å; F147-L278 HydrophobicContact CD2-CD1 3.8Å; F147-L278 HydrophobicContact CE2-CB 4.16Å; F147-L278 HydrophobicContact CE2-CD1 4.49Å; F147-L278 HydrophobicContact CG-CD1 4.15Å; F147-V281 HydrophobicContact CD2-CG2 4.43Å; F147-V281 HydrophobicContact CE2-CG2 4.35Å
148	R	50.5	Low	58.3	Low	147 Å²	147	56.4 Å²	56.4	56%	0.555	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-17.8	177.9	-67.1	-173.1	-72	-104.1	1.6	113.1	V145 S146	V145-R148 PolarHBondContact O-N 3.47Å; S146-R148 PolarHBondContact O-N 2.99Å
149	R	51.3	Low	58.5	Low	197 Å²	197	57.3 Å²	57.3	74%	0.743	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-4.6	-174.9	-66.8	-177.5	175.2	175.7	-2.9	113.3	S146 F147 S151	S146-R149 CarbonylContact O-C 3.58Å; S146-R149 PolarHBondContact O-N 3.34Å; F147-R149 VanDerWaalsContact C-N 3.27Å; F147-R149 PolarHBondContact O-N 3.33Å; R149-S151 PolarHBondContact O-N 3.3Å
150	H	51.1	Low	59.3	Low	54 Å²	54	58.3 Å²	58.3	25%	0.25	31%	0.306	C	S	.	.			trans	-69.8	93.8	-178	-168.9	63.7	0	0	0	110.7	S146 Y156	S146-H150 PolarHBondContact O-N 3.46Å; H150-Y156 AromaticContact CE1-CD1 3.94Å; H150-Y156 AromaticContact CE1-CE1 3.78Å; H150-Y156 AromaticContact NE2-CE1 3.63Å
151	S	46.9	Very low	61	Low	71 Å²	71	58.4 Å²	58.4	50%	0.497	31%	0.307	S	S	.	.			trans	-70.8	151.9	153.7	38.9	0	0	0	0	108.9	R149 G153	R149-S151 PolarHBondContact O-N 3.3Å; S151-G153 PolarHBondContact O-N 3.26Å
152	S	51.5	Low	62.9	Low	126 Å²	126	57.4 Å²	57.4	88%	0.881	31%	0.307	S	S	*	.	S	Bend	trans	-59.5	56	-172.5	54.7	0	0	0	0	115.9
153	G	52.8	Low	64.8	Low	30 Å²	30	56.7 Å²	56.7	31%	0.309	30%	0.302	S	S	.	.			trans	-81.1	155.9	178.1	0	0	0	0	0	112.9	S151	S151-G153 PolarHBondContact O-N 3.26Å
154	T	56.2	Low	66.6	Low	123 Å²	123	60.5 Å²	60.5	76%	0.755	32%	0.323	S	S	*	.	S	Bend	trans	-81.1	-20.2	-178.4	48.4	0	0	0	0	114.1
155	H	67.7	Low	68.6	Low	111 Å²	111	63.4 Å²	63.4	51%	0.514	34%	0.336	S	S	.	.			trans	-118.5	131.7	179.4	-64.6	-76	0	0	0	110.8	N179 E288	H155-N179 WeakPolarHBondContact O-CB 3.47Å; H155-N179 PolarHBondContact O-ND2 3.3Å; H155-E288 IonicContact ND1-OE1 2.98Å
156	Y	69.4	Low	70.6	Confident	45 Å²	45	62.8 Å²	62.8	18%	0.176	33%	0.332	C	S	.	.	S	Bend	trans	-86.6	-30.7	179	-67.2	-82.6	0	0	0	111.6	H150 L180 V281 M284 A285 E288	H150-Y156 AromaticContact CE1-CD1 3.94Å; H150-Y156 AromaticContact CE1-CE1 3.78Å; H150-Y156 AromaticContact NE2-CE1 3.63Å; Y156-L180 HydrophobicContact CD1-CD1 4.46Å; Y156-L180 WeakPolarHBondContact O-CB 3.27Å; Y156-L180 VanDerWaalsContact O-CD1 3.26Å; Y156-L180 WeakPolarHBondContact O-CD1 3.42Å; Y156-L180 WeakPolarHBondContact O-CG 3.28Å; Y156-L180 PolarHBondContact O-N 3.44Å; Y156-V281 HydrophobicContact CD1-CG1 4.08Å; Y156-V281 HydrophobicContact CE1-CG1 4.11Å; Y156-M284 HydrophobicContact CD2-CB 3.71Å; Y156-M284 HydrophobicContact CE1-CB 4.16Å; Y156-M284 HydrophobicContact CE2-CB 3.28Å; Y156-M284 HydrophobicContact CE2-CE 4.19Å; Y156-M284 HydrophobicContact CE2-CG 4.02Å; Y156-M284 HydrophobicContact CG-CB 4.31Å; Y156-A285 HydrophobicContact CG-CB 4.37Å; Y156-E288 WeakPolarHBondContact CA-OE2 3.37Å; Y156-E288 VanDerWaalsContact CB-OE2 3.31Å; Y156-E288 WeakPolarHBondContact CB-OE2 3.38Å; Y156-E288 WeakPolarHBondContact CD2-OE2 3.47Å; Y156-E288 PolarHBondContact N-OE1 3.43Å; Y156-E288 PolarHBondContact N-OE2 2.99Å
157	L	74.1	Confident	72.4	Confident	10 Å²	10	67.8 Å²	67.8	5%	0.052	36%	0.362	C	S	.	.	S	Bend	trans	-85.8	148.3	173.8	-54.9	-179.6	0	0	0	109.8	I186 E288 F289 M292 Y293	L157-I186 HydrophobicContact CB-CD1 4.43Å; L157-I186 HydrophobicContact CD1-CD1 4.11Å; L157-I186 HydrophobicContact CD2-CD1 4.08Å; L157-I186 HydrophobicContact CG-CD1 4.43Å; L157-E288 HydrophobicContact CD1-CB 4.45Å; L157-E288 HydrophobicContact CD1-CG 4.06Å; L157-E288 HydrophobicContact CG-CB 4.47Å; L157-E288 HydrophobicContact CG-CG 4.08Å; L157-E288 PolarHBondContact N-OE1 3.03Å; L157-F289 HydrophobicContact CD1-CB 4Å; L157-F289 HydrophobicContact CD1-CD2 4.48Å; L157-M292 HydrophobicContact CB-CE 4.49Å; L157-M292 HydrophobicContact CD1-SD 4.25Å; L157-Y293 HydrophobicContact CD1-CD2 4.13Å; L157-Y293 HydrophobicContact CD1-CE2 3.73Å
158	G	71.4	Confident	74.3	Confident	4 Å²	4	67.7 Å²	67.7	4%	0.041	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-80.1	163.6	177.7	0	0	0	0	0	111.4	F181	G158-F181 WeakPolarHBondContact CA-O 3.41Å; G158-F181 PolarHBondContact N-O 3.38Å
159	P	83.2	Confident	76.4	Confident	19 Å²	19	60.7 Å²	60.7	12%	0.123	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-72.1	168.7	-177.1	34	-38.5	0	0	0	112.1	L174 S175 S176 I183	P159-L174 HydrophobicContact CG-CB 4.15Å; P159-S175 VanDerWaalsContact CB-OG 3.29Å; P159-S175 WeakPolarHBondContact CB-OG 3.1Å; P159-S176 WeakPolarHBondContact CB-OG 3.34Å; P159-S176 WeakPolarHBondContact CG-O 3.37Å; P159-S176 VanDerWaalsContact CG-OG 3.28Å; P159-S176 WeakPolarHBondContact CG-OG 3.34Å; P159-I183 PolarHBondContact O-N 2.84Å
160	D	88	Confident	78.3	Confident	43 Å²	43	55.4 Å²	55.4	23%	0.23	33%	0.326	C	S	.	.			trans	-75.3	178.4	159.7	-147	-10.8	0	0	0	110.7	S175 I183	D160-S175 PolarHBondContact O-N 3.2Å; D160-S175 PolarHBondContact O-OG 3.47Å; D160-I183 HydrophobicContact CB-CB 4.34Å; D160-I183 HydrophobicContact CB-CD1 3.61Å; D160-I183 HydrophobicContact CB-CG1 3.96Å
161	G	92.3	Very high	80.3	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	-176	172.5	0	0	0	0	0	112.8	F172 T173	G161-F172 VanDerWaalsContact N-CZ 3.34Å; G161-F172 WeakPolarHBondContact O-CE2 3.43Å; G161-T173 CarbonylContact C-O 3.59Å; G161-T173 WeakPolarHBondContact CA-O 3.37Å
162	C	95.3	Very high	82.6	Confident	43 Å²	43	52.1 Å²	52.1	29%	0.291	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.6	178.8	-56.9	0	0	0	0	109.5	F172 T173 C303	C162-F172 WeakPolarHBondContact O-CA 3.36Å; C162-T173 PolarHBondContact N-O 3.18Å; C162-T173 PolarHBondContact O-N 2.92Å; C162-C303 HydrophobicContact CB-CB 3.69Å; C162-C303 WeakPolarHBondContact CB-SG 3.28Å; C162-C303 WeakPolarHBondContact SG-CB 3.46Å; C162-C303 CovalentContact SG-SG 2.02Å; C162-C303 PolarHBondContact SG-SG 3.12Å
163	W	95.8	Very high	84.7	Confident	17 Å²	17	48.8 Å²	48.8	6%	0.064	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	141.9	164.5	-68.5	98.9	0	0	0	109.7	Y27 V104 L106 T112 N165 V166 P169 V171 F172	Y27-W163 HydrophobicContact CD2-CZ3 4.25Å; Y27-W163 HydrophobicContact CG-CH2 4.24Å; Y27-W163 HydrophobicContact CG-CZ3 4.3Å; V104-W163 HydrophobicContact CB-CZ2 4.49Å; V104-W163 HydrophobicContact CG2-CH2 3.82Å; V104-W163 HydrophobicContact CG2-CZ2 4.02Å; L106-W163 HydrophobicContact CB-CZ2 4.19Å; T112-W163 HydrophobicContact CG2-CZ2 3.98Å; T112-W163 PolarHBondContact OG1-NE1 3.44Å; T112-W163 VanDerWaalsContact OG1-NE1 3.08Å; W163-N165 PolarHBondContact O-N 3.05Å; W163-V166 HydrophobicContact CB-CG1 4.16Å; W163-P169 HydrophobicContact CD2-CB 3.58Å; W163-P169 HydrophobicContact CE3-CB 3.32Å; W163-P169 HydrophobicContact CG-CB 4.14Å; W163-P169 HydrophobicContact CH2-CB 4.25Å; W163-P169 HydrophobicContact CZ3-CB 3.68Å; W163-V171 WeakPolarHBondContact CA-O 3.43Å; W163-F172 AromaticContact CD1-CD2 3.7Å; W163-F172 AromaticContact CD1-CE2 3.96Å; W163-F172 HydrophobicContact CD2-CB 4.08Å; W163-F172 AromaticContact CD2-CD2 3.68Å; W163-F172 HydrophobicContact CD2-CD2 3.68Å; W163-F172 HydrophobicContact CD2-CG 4.32Å; W163-F172 AromaticContact CE2-CD2 3.54Å; W163-F172 HydrophobicContact CE3-CB 3.84Å; W163-F172 HydrophobicContact CE3-CD2 4.31Å; W163-F172 AromaticContact CG-CD2 3.82Å; W163-F172 HydrophobicContact CG-CD2 3.82Å; W163-F172 HydrophobicContact CG-CE2 4.47Å; W163-F172 HydrophobicContact CH2-CB 3.94Å; W163-F172 HydrophobicContact CZ2-CB 4.11Å; W163-F172 HydrophobicContact CZ2-CD2 4.13Å; W163-F172 HydrophobicContact CZ2-CG 4.31Å; W163-F172 HydrophobicContact CZ3-CB 3.78Å; W163-F172 AromaticContact NE1-CD2 3.5Å; W163-F172 AromaticContact NE1-CE2 3.78Å
164	N	93.5	Very high	86.7	Confident	98 Å²	98	47.6 Å²	47.6	52%	0.524	27%	0.267	S	S	.	.	S	Bend	trans	-59.3	-31.7	170.9	69	-55.1	0	0	0	112.3	Q170 V171	N164-Q170 PolarHBondContact OD1-N 3.02Å; N164-Q170 VanDerWaalsContact OD1-N 3.1Å; N164-V171 HydrophobicContact CB-CB 4.44Å; N164-V171 PolarHBondContact N-O 3.43Å; N164-V171 PolarHBondContact OD1-N 2.94Å; N164-V171 PolarHBondContact OD1-O 3.49Å
165	N	92.8	Very high	88.2	Confident	74 Å²	74	46.1 Å²	46.1	40%	0.396	26%	0.262	S	S	.	.			trans	-154.3	120.2	174.8	-175	-52.8	0	0	0	108.7	W163 T167 S168 P169	W163-N165 PolarHBondContact O-N 3.05Å; N165-T167 WeakPolarHBondContact OD1-CA 3.36Å; N165-T167 VanDerWaalsContact OD1-CB 3.3Å; N165-T167 WeakPolarHBondContact OD1-CB 3.43Å; N165-T167 PolarHBondContact OD1-N 2.89Å; N165-S168 CarbonylContact O-C 3.45Å; N165-S168 PolarHBondContact OD1-N 2.91Å; N165-P169 WeakPolarHBondContact O-CA 3.36Å
166	V	93.6	Very high	89.1	Confident	31 Å²	31	43.6 Å²	43.6	19%	0.188	26%	0.256	C	S	.	.	S	Bend	trans	-75.6	-22.8	-179	-65.7	0	0	0	0	113.5	H28 L106 W163 M304	H28-V166 PolarHBondContact CE1-O 3.41Å; H28-V166 PolarHBondContact NE2-O 2.81Å; L106-V166 HydrophobicContact CD2-CB 4.07Å; L106-V166 HydrophobicContact CD2-CG1 4.43Å; L106-V166 VanDerWaalsContact CD2-O 3.27Å; L106-V166 WeakPolarHBondContact CD2-O 3.45Å; W163-V166 HydrophobicContact CB-CG1 4.16Å; V166-M304 HydrophobicContact CG1-CE 4.33Å; V166-M304 HydrophobicContact CG1-SD 4.42Å
167	T	91.6	Very high	89.6	Confident	120 Å²	120	48.2 Å²	48.2	74%	0.736	28%	0.278	S	S	*	.	S	Bend	trans	-75.4	-35.9	175	-52.5	0	0	0	0	111.5	H28 N165	H28-T167 PolarHBondContact NE2-O 2.97Å; N165-T167 WeakPolarHBondContact OD1-CA 3.36Å; N165-T167 VanDerWaalsContact OD1-CB 3.3Å; N165-T167 WeakPolarHBondContact OD1-CB 3.43Å; N165-T167 PolarHBondContact OD1-N 2.89Å
168	S	91.9	Very high	89.5	Confident	58 Å²	58	49.5 Å²	49.5	41%	0.406	29%	0.286	S	S	.	.	S	Bend	trans	-136.1	77	178.1	173.9	0	0	0	0	110.2	N165 Q170	N165-S168 CarbonylContact O-C 3.45Å; N165-S168 PolarHBondContact OD1-N 2.91Å; S168-Q170 PolarHBondContact O-N 3.5Å
169	P	93.7	Very high	89.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.294	C	S	.	.			trans	-66.3	127.9	-174.8	26.7	-34.3	0	0	0	111.2	Y27 H28 L106 W163 N165	Y27-P169 WeakPolarHBondContact CD2-O 3.47Å; Y27-P169 PolarHBondContact N-O 2.85Å; H28-P169 VanDerWaalsContact CD2-CD 3.43Å; H28-P169 WeakPolarHBondContact CD2-CD 3.3Å; H28-P169 WeakPolarHBondContact NE2-CD 3.19Å; L106-P169 HydrophobicContact CB-CG 4.29Å; L106-P169 HydrophobicContact CD2-CG 4.38Å; W163-P169 HydrophobicContact CD2-CB 3.58Å; W163-P169 HydrophobicContact CE3-CB 3.32Å; W163-P169 HydrophobicContact CG-CB 4.14Å; W163-P169 HydrophobicContact CH2-CB 4.25Å; W163-P169 HydrophobicContact CZ3-CB 3.68Å; N165-P169 WeakPolarHBondContact O-CA 3.36Å
170	Q	91.6	Very high	88.9	Confident	86 Å²	86	50.6 Å²	50.6	40%	0.402	29%	0.29	S	S	.	.			trans	-129.5	-39.5	179.7	-65.9	-61.9	-37.2	0	0	112.4	Y27 N164 S168	Y27-Q170 VanDerWaalsContact CE2-O 3.27Å; Y27-Q170 WeakPolarHBondContact CE2-O 3.43Å; N164-Q170 PolarHBondContact OD1-N 3.02Å; N164-Q170 VanDerWaalsContact OD1-N 3.1Å; S168-Q170 PolarHBondContact O-N 3.5Å
171	V	93.6	Very high	88.6	Confident	53 Å²	53	49.4 Å²	49.4	32%	0.321	28%	0.283	S	S	.	.			trans	-134.7	124.4	-178.3	-178	0	0	0	0	109.1	K100 W163 N164	K100-V171 HydrophobicContact CD-CG1 3.93Å; K100-V171 HydrophobicContact CG-CG1 3.9Å; W163-V171 WeakPolarHBondContact CA-O 3.43Å; N164-V171 HydrophobicContact CB-CB 4.44Å; N164-V171 PolarHBondContact N-O 3.43Å; N164-V171 PolarHBondContact OD1-N 2.94Å; N164-V171 PolarHBondContact OD1-O 3.49Å
172	F	95.4	Very high	88.4	Confident	3 Å²	3	49.4 Å²	49.4	1%	0.013	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.7	171	-169.1	-111	0	0	0	109.6	K100 E101 V104 T112 G161 C162 W163 L174	K100-F172 WeakPolarHBondContact CA-O 3.43Å; E101-F172 HydrophobicContact CB-CD1 4.09Å; E101-F172 PolarHBondContact N-O 3.35Å; E101-F172 WeakPolarHBondContact OE2-CE1 3.39Å; V104-F172 HydrophobicContact CG2-CB 3.69Å; V104-F172 HydrophobicContact CG2-CD1 3.96Å; V104-F172 HydrophobicContact CG2-CG 4.01Å; T112-F172 HydrophobicContact CG2-CD1 4.41Å; T112-F172 HydrophobicContact CG2-CD2 4.28Å; T112-F172 HydrophobicContact CG2-CE1 4.12Å; T112-F172 HydrophobicContact CG2-CE2 3.97Å; T112-F172 HydrophobicContact CG2-CG 4.49Å; T112-F172 HydrophobicContact CG2-CZ 3.87Å; G161-F172 VanDerWaalsContact N-CZ 3.34Å; G161-F172 WeakPolarHBondContact O-CE2 3.43Å; C162-F172 WeakPolarHBondContact O-CA 3.36Å; W163-F172 AromaticContact CD1-CD2 3.7Å; W163-F172 AromaticContact CD1-CE2 3.96Å; W163-F172 HydrophobicContact CD2-CB 4.08Å; W163-F172 AromaticContact CD2-CD2 3.68Å; W163-F172 HydrophobicContact CD2-CD2 3.68Å; W163-F172 HydrophobicContact CD2-CG 4.32Å; W163-F172 AromaticContact CE2-CD2 3.54Å; W163-F172 HydrophobicContact CE3-CB 3.84Å; W163-F172 HydrophobicContact CE3-CD2 4.31Å; W163-F172 AromaticContact CG-CD2 3.82Å; W163-F172 HydrophobicContact CG-CD2 3.82Å; W163-F172 HydrophobicContact CG-CE2 4.47Å; W163-F172 HydrophobicContact CH2-CB 3.94Å; W163-F172 HydrophobicContact CZ2-CB 4.11Å; W163-F172 HydrophobicContact CZ2-CD2 4.13Å; W163-F172 HydrophobicContact CZ2-CG 4.31Å; W163-F172 HydrophobicContact CZ3-CB 3.78Å; W163-F172 AromaticContact NE1-CD2 3.5Å; W163-F172 AromaticContact NE1-CE2 3.78Å; F172-L174 HydrophobicContact CE1-CD2 4.08Å
173	T	95.3	Very high	88.2	Confident	55 Å²	55	48.6 Å²	48.6	34%	0.337	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.4	-176.5	-50.6	0	0	0	0	109.8	F99 G161 C162	F99-T173 HydrophobicContact CB-CG2 4.31Å; G161-T173 CarbonylContact C-O 3.59Å; G161-T173 WeakPolarHBondContact CA-O 3.37Å; C162-T173 PolarHBondContact N-O 3.18Å; C162-T173 PolarHBondContact O-N 2.92Å
174	L	93.9	Very high	88	Confident	6 Å²	6	47.8 Å²	47.8	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	144.7	178.3	-60.7	172.2	0	0	0	111.2	V95 F99 E101 P159 F172 S176 P178 T182	V95-L174 HydrophobicContact CG1-CD1 3.73Å; V95-L174 HydrophobicContact CG2-CD1 4.23Å; F99-L174 HydrophobicContact CB-CB 4.17Å; F99-L174 WeakPolarHBondContact O-CG 3.18Å; F99-L174 PolarHBondContact O-N 2.97Å; E101-L174 HydrophobicContact CB-CD1 4.47Å; E101-L174 HydrophobicContact CB-CD2 4.47Å; E101-L174 HydrophobicContact CB-CG 4.26Å; E101-L174 WeakPolarHBondContact OE2-CD2 3.36Å; P159-L174 HydrophobicContact CG-CB 4.15Å; F172-L174 HydrophobicContact CE1-CD2 4.08Å; L174-S176 WeakPolarHBondContact CB-O 3.35Å; L174-S176 PolarHBondContact O-N 3.18Å; L174-P178 HydrophobicContact CD1-CB 4.28Å; L174-P178 HydrophobicContact CD1-CG 3.77Å; L174-T182 HydrophobicContact CD1-CG2 3.67Å; L174-T182 HydrophobicContact CD2-CG2 3.71Å; L174-T182 HydrophobicContact CG-CG2 4.34Å
175	S	89.1	Confident	87.9	Confident	92 Å²	92	43.8 Å²	43.8	64%	0.643	25%	0.25	S	S	*	.	S	Bend	trans	-73	-17.4	178.7	64.5	0	0	0	0	113.4	P159 D160	P159-S175 VanDerWaalsContact CB-OG 3.29Å; P159-S175 WeakPolarHBondContact CB-OG 3.1Å; D160-S175 PolarHBondContact O-N 3.2Å; D160-S175 PolarHBondContact O-OG 3.47Å
176	S	85.1	Confident	87.9	Confident	57 Å²	57	40.5 Å²	40.5	40%	0.399	23%	0.233	S	C	.	.	S	Bend	trans	-157.9	-176.3	173.4	63.2	0	0	0	0	111.6	P159 L174	P159-S176 WeakPolarHBondContact CB-OG 3.34Å; P159-S176 WeakPolarHBondContact CG-O 3.37Å; P159-S176 VanDerWaalsContact CG-OG 3.28Å; P159-S176 WeakPolarHBondContact CG-OG 3.34Å; L174-S176 WeakPolarHBondContact CB-O 3.35Å; L174-S176 PolarHBondContact O-N 3.18Å
177	K	80.2	Confident	87.9	Confident	143 Å²	143	39.3 Å²	39.3	62%	0.622	23%	0.225	S	C	*	.			trans	-71.4	127.1	177.4	-167.3	172	-178.4	175.9	0	110.9	F99	F99-K177 HydrophobicContact CD1-CB 4.44Å; F99-K177 HydrophobicContact CE1-CB 3.62Å; F99-K177 HydrophobicContact CE1-CG 4.01Å; F99-K177 HydrophobicContact CZ-CB 4.37Å
178	P	73.4	Confident	88.1	Confident	36 Å²	36	33.6 Å²	33.6	23%	0.234	19%	0.19	C	C	.	.			trans	-73.4	138.7	176.8	28.8	-33	0	0	0	112	V95 L174 T182	V95-P178 HydrophobicContact CG1-CG 4.04Å; V95-P178 HydrophobicContact CG2-CG 4.41Å; L174-P178 HydrophobicContact CD1-CB 4.28Å; L174-P178 HydrophobicContact CD1-CG 3.77Å; P178-T182 HydrophobicContact CB-CG2 3.99Å; P178-T182 HydrophobicContact CG-CG2 4.43Å
179	N	68.8	Low	88.1	Confident	38 Å²	38	32 Å²	32	20%	0.203	18%	0.175	C	C	.	.	S	Bend	trans	-93.6	-46.8	179	-71.4	-39.6	0	0	0	113.4	H155	H155-N179 WeakPolarHBondContact O-CB 3.47Å; H155-N179 PolarHBondContact O-ND2 3.3Å
180	L	72.3	Confident	88.1	Confident	8 Å²	8	32 Å²	32	4%	0.042	18%	0.176	C	C	.	.	S	Bend	trans	-127.3	-60.6	174.4	-62.9	175	0	0	0	112.6	L143 S146 Y156 A285	L143-L180 HydrophobicContact CD2-CB 4.46Å; L143-L180 HydrophobicContact CD2-CD1 3.97Å; L143-L180 HydrophobicContact CD2-CD2 4.25Å; L143-L180 HydrophobicContact CD2-CG 4.48Å; S146-L180 PolarHBondContact OG-O 2.86Å; Y156-L180 HydrophobicContact CD1-CD1 4.46Å; Y156-L180 WeakPolarHBondContact O-CB 3.27Å; Y156-L180 VanDerWaalsContact O-CD1 3.26Å; Y156-L180 WeakPolarHBondContact O-CD1 3.42Å; Y156-L180 WeakPolarHBondContact O-CG 3.28Å; Y156-L180 PolarHBondContact O-N 3.44Å; L180-A285 HydrophobicContact CD1-CB 3.53Å
181	F	81.4	Confident	88.3	Confident	19 Å²	19	28 Å²	28	8%	0.083	16%	0.157	C	C	.	.			trans	-137.2	133.7	-176.5	-66.2	-65.7	0	0	0	111	D142 L143 G158 Q185 I186 R189	D142-F181 HydrophobicContact CB-CD1 4.19Å; D142-F181 HydrophobicContact CB-CE1 3.61Å; D142-F181 HydrophobicContact CB-CZ 4.44Å; L143-F181 HydrophobicContact CD1-CE2 3.9Å; L143-F181 HydrophobicContact CD1-CZ 4.11Å; L143-F181 HydrophobicContact CD2-CD2 4.29Å; L143-F181 HydrophobicContact CD2-CE2 3.53Å; L143-F181 HydrophobicContact CD2-CZ 4.09Å; L143-F181 HydrophobicContact CG-CE2 3.45Å; L143-F181 VanDerWaalsContact CG-CE2 3.45Å; L143-F181 HydrophobicContact CG-CZ 3.54Å; G158-F181 WeakPolarHBondContact CA-O 3.41Å; G158-F181 PolarHBondContact N-O 3.38Å; F181-Q185 VanDerWaalsContact CA-OE1 3.27Å; F181-Q185 HydrophobicContact CB-CB 4.31Å; F181-Q185 HydrophobicContact CD1-CB 4.28Å; F181-I186 HydrophobicContact CB-CD1 4.11Å; F181-I186 HydrophobicContact CB-CG1 3.88Å; F181-R189 VanDerWaalsContact CE1-NE 3.31Å
182	T	88.1	Confident	88.4	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.141	C	C	.	.			trans	-67.6	162.2	168.1	64.7	0	0	0	0	110.6	V95 E101 L174 P178 A184 Q185 I186	V95-T182 HydrophobicContact CG2-CG2 4.26Å; E101-T182 WeakPolarHBondContact OE1-CB 3.3Å; E101-T182 VanDerWaalsContact OE1-CG2 3.29Å; E101-T182 WeakPolarHBondContact OE1-CG2 3.38Å; E101-T182 PolarHBondContact OE1-OG1 2.68Å; E101-T182 PolarHBondContact OE2-OG1 3.3Å; L174-T182 HydrophobicContact CD1-CG2 3.67Å; L174-T182 HydrophobicContact CD2-CG2 3.71Å; L174-T182 HydrophobicContact CG-CG2 4.34Å; P178-T182 HydrophobicContact CB-CG2 3.99Å; P178-T182 HydrophobicContact CG-CG2 4.43Å; T182-A184 PolarHBondContact O-N 2.9Å; T182-Q185 WeakPolarHBondContact O-CB 3.34Å; T182-Q185 PolarHBondContact O-N 2.98Å; T182-Q185 VanDerWaalsContact OG1-CG 3.31Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.35Å; T182-Q185 PolarHBondContact OG1-N 2.88Å; T182-Q185 VanDerWaalsContact OG1-N 3.15Å; T182-Q185 PolarHBondContact OG1-OE1 2.89Å; T182-I186 WeakPolarHBondContact O-CG1 3.38Å; T182-I186 PolarHBondContact O-N 3.44Å; T182-I186 VanDerWaalsContact O-N 3.1Å
183	I	90.3	Very high	88.2	Confident	27 Å²	27	25.5 Å²	25.5	14%	0.138	14%	0.142	C	C	.	.	H	α-helix	trans	-59.5	-39.1	174	-58.9	-153.9	0	0	0	111	P159 D160 Q185 I186 N187 Y293	P159-I183 PolarHBondContact O-N 2.84Å; D160-I183 HydrophobicContact CB-CB 4.34Å; D160-I183 HydrophobicContact CB-CD1 3.61Å; D160-I183 HydrophobicContact CB-CG1 3.96Å; I183-Q185 VanDerWaalsContact C-N 3.34Å; I183-Q185 PolarHBondContact O-N 2.61Å; I183-I186 WeakPolarHBondContact O-CB 3.46Å; I183-I186 PolarHBondContact O-N 3.45Å; I183-I186 VanDerWaalsContact O-N 3.12Å; I183-N187 PolarHBondContact O-N 3.37Å; I183-Y293 WeakPolarHBondContact CG1-OH 3.28Å; I183-Y293 HydrophobicContact CG2-CE1 4.35Å
184	A	93.1	Very high	88.2	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.9	-41.9	177.4	0	0	0	0	0	112.6	V104 T112 T114 T182 I186 N187 G188	V104-A184 HydrophobicContact CB-CB 4.44Å; V104-A184 HydrophobicContact CG1-CB 3.54Å; T112-A184 HydrophobicContact CG2-CB 3.79Å; T112-A184 WeakPolarHBondContact O-CA 3.44Å; T114-A184 HydrophobicContact CG2-CB 4.07Å; T114-A184 PolarHBondContact N-O 2.71Å; T114-A184 PolarHBondContact OG1-O 2.51Å; T182-A184 PolarHBondContact O-N 2.9Å; A184-I186 VanDerWaalsContact C-N 3.32Å; A184-I186 PolarHBondContact O-N 3.09Å; A184-N187 PolarHBondContact O-N 3.32Å; A184-G188 PolarHBondContact O-N 3.29Å
185	Q	91.6	Very high	88.2	Confident	13 Å²	13	22.7 Å²	22.7	6%	0.061	13%	0.125	C	C	.	.	H	α-helix	trans	-60.8	-43.1	173.7	-76.3	178.6	-55.2	0	0	111.6	H93 T114 D142 F181 T182 I183 R189	H93-Q185 PolarHBondContact CE1-NE2 3.34Å; H93-Q185 PolarHBondContact ND1-NE2 3Å; T114-Q185 HydrophobicContact CG2-CB 4.28Å; T114-Q185 HydrophobicContact CG2-CG 3.64Å; T114-Q185 WeakPolarHBondContact OG1-CA 3.41Å; D142-Q185 PolarHBondContact OD2-NE2 2.97Å; D142-Q185 VanDerWaalsContact OD2-NE2 3.08Å; F181-Q185 VanDerWaalsContact CA-OE1 3.27Å; F181-Q185 HydrophobicContact CB-CB 4.31Å; F181-Q185 HydrophobicContact CD1-CB 4.28Å; T182-Q185 WeakPolarHBondContact O-CB 3.34Å; T182-Q185 PolarHBondContact O-N 2.98Å; T182-Q185 VanDerWaalsContact OG1-CG 3.31Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.35Å; T182-Q185 PolarHBondContact OG1-N 2.88Å; T182-Q185 VanDerWaalsContact OG1-N 3.15Å; T182-Q185 PolarHBondContact OG1-OE1 2.89Å; I183-Q185 VanDerWaalsContact C-N 3.34Å; I183-Q185 PolarHBondContact O-N 2.61Å; Q185-R189 WeakPolarHBondContact O-CB 3.45Å; Q185-R189 WeakPolarHBondContact O-CD 3.23Å; Q185-R189 WeakPolarHBondContact O-CG 3.23Å; Q185-R189 PolarHBondContact O-N 3.09Å
186	I	91.3	Very high	88.3	Confident	5 Å²	5	18.3 Å²	18.3	3%	0.026	9%	0.094	C	C	.	.	H	α-helix	trans	-63.5	-47.8	179.3	-70.8	166.8	0	0	0	110.4	L157 F181 T182 I183 A184 G188 R189 M190 F289 Y293	L157-I186 HydrophobicContact CB-CD1 4.43Å; L157-I186 HydrophobicContact CD1-CD1 4.11Å; L157-I186 HydrophobicContact CD2-CD1 4.08Å; L157-I186 HydrophobicContact CG-CD1 4.43Å; F181-I186 HydrophobicContact CB-CD1 4.11Å; F181-I186 HydrophobicContact CB-CG1 3.88Å; T182-I186 WeakPolarHBondContact O-CG1 3.38Å; T182-I186 PolarHBondContact O-N 3.44Å; T182-I186 VanDerWaalsContact O-N 3.1Å; I183-I186 WeakPolarHBondContact O-CB 3.46Å; I183-I186 PolarHBondContact O-N 3.45Å; I183-I186 VanDerWaalsContact O-N 3.12Å; A184-I186 VanDerWaalsContact C-N 3.32Å; A184-I186 PolarHBondContact O-N 3.09Å; I186-G188 PolarHBondContact O-N 3.06Å; I186-R189 PolarHBondContact O-N 2.91Å; I186-M190 HydrophobicContact CG2-CE 3.61Å; I186-M190 HydrophobicContact CG2-CG 4.43Å; I186-M190 HydrophobicContact CG2-SD 4.32Å; I186-M190 WeakPolarHBondContact O-CG 3.45Å; I186-M190 PolarHBondContact O-N 3.41Å; I186-F289 HydrophobicContact CG2-CD2 4.38Å; I186-F289 HydrophobicContact CG2-CE2 3.71Å; I186-Y293 HydrophobicContact CB-CE1 4.24Å; I186-Y293 HydrophobicContact CB-CE2 4.5Å; I186-Y293 HydrophobicContact CD1-CD2 4.38Å; I186-Y293 HydrophobicContact CD1-CE2 3.47Å; I186-Y293 VanDerWaalsContact CD1-CE2 3.47Å; I186-Y293 WeakPolarHBondContact CD1-OH 3.33Å; I186-Y293 HydrophobicContact CG1-CE2 4.5Å; I186-Y293 HydrophobicContact CG2-CD1 3.74Å; I186-Y293 HydrophobicContact CG2-CD2 4.09Å; I186-Y293 HydrophobicContact CG2-CE1 3.49Å; I186-Y293 VanDerWaalsContact CG2-CE1 3.49Å; I186-Y293 HydrophobicContact CG2-CE2 3.9Å; I186-Y293 HydrophobicContact CG2-CG 4.02Å
187	N	94.8	Very high	88.6	Confident	7 Å²	7	17.4 Å²	17.4	4%	0.037	9%	0.086	C	C	.	.	H	α-helix	trans	-60.1	-48.9	178.6	-69.1	-27.5	0	0	0	112.1	T112 V113 I183 A184 R189 M190 D191	T112-N187 PolarHBondContact O-ND2 3.38Å; V113-N187 HydrophobicContact CB-CB 4.42Å; V113-N187 HydrophobicContact CG1-CB 3.8Å; I183-N187 PolarHBondContact O-N 3.37Å; A184-N187 PolarHBondContact O-N 3.32Å; N187-R189 VanDerWaalsContact C-N 3.29Å; N187-R189 PolarHBondContact O-N 3.07Å; N187-M190 PolarHBondContact O-N 2.98Å; N187-M190 VanDerWaalsContact O-N 3.17Å; N187-M190 WeakPolarHBondContact OD1-CE 3.43Å; N187-D191 VanDerWaalsContact O-CG 3.26Å; N187-D191 PolarHBondContact O-N 3.04Å
188	G	95.2	Very high	89.1	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.1	-34.6	178.7	0	0	0	0	0	113.6	T114 L118 A184 I186 G192	T114-G188 WeakPolarHBondContact O-CA 3.33Å; L118-G188 WeakPolarHBondContact CA-O 3.48Å; L118-G188 PolarHBondContact N-O 3.3Å; A184-G188 PolarHBondContact O-N 3.29Å; I186-G188 PolarHBondContact O-N 3.06Å; G188-G192 PolarHBondContact O-N 3.3Å
189	R	92.6	Very high	89.8	Confident	23 Å²	23	12.1 Å²	12.1	9%	0.087	6%	0.061	C	C	.	.	H	α-helix	trans	-70	-40.5	174.6	-72.3	171.4	178.6	-69.4	-5.9	112.4	P117 T138 D142 F181 Q185 I186 N187 M193	P117-R189 HydrophobicContact CB-CB 4.41Å; P117-R189 HydrophobicContact CB-CG 3.54Å; P117-R189 HydrophobicContact CG-CG 3.85Å; T138-R189 WeakPolarHBondContact O-CB 3.45Å; T138-R189 WeakPolarHBondContact O-CD 3.32Å; T138-R189 WeakPolarHBondContact O-CG 3.27Å; T138-R189 PolarHBondContact O-NH1 3.42Å; D142-R189 IonicContact OD2-CZ 2.72Å; D142-R189 IonicContact OD2-NH2 3.93Å; D142-R189 PolarHBondContact OD2-NH2 2.73Å; F181-R189 VanDerWaalsContact CE1-NE 3.31Å; Q185-R189 WeakPolarHBondContact O-CB 3.45Å; Q185-R189 WeakPolarHBondContact O-CD 3.23Å; Q185-R189 WeakPolarHBondContact O-CG 3.23Å; Q185-R189 PolarHBondContact O-N 3.09Å; I186-R189 PolarHBondContact O-N 2.91Å; N187-R189 VanDerWaalsContact C-N 3.29Å; N187-R189 PolarHBondContact O-N 3.07Å; R189-M193 WeakPolarHBondContact O-CB 3.45Å; R189-M193 PolarHBondContact O-N 3.46Å; R189-M193 VanDerWaalsContact O-N 3.11Å
190	M	93.4	Very high	90.8	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-61.1	-48.6	174.2	-70	-168.5	-74.2	0	0	110.3	I186 N187 M193 I194 R237 F241 F289 Y293	I186-M190 HydrophobicContact CG2-CE 3.61Å; I186-M190 HydrophobicContact CG2-CG 4.43Å; I186-M190 HydrophobicContact CG2-SD 4.32Å; I186-M190 WeakPolarHBondContact O-CG 3.45Å; I186-M190 PolarHBondContact O-N 3.41Å; N187-M190 PolarHBondContact O-N 2.98Å; N187-M190 VanDerWaalsContact O-N 3.17Å; N187-M190 WeakPolarHBondContact OD1-CE 3.43Å; M190-M193 PolarHBondContact O-N 3.15Å; M190-M193 VanDerWaalsContact O-N 3.15Å; M190-I194 WeakPolarHBondContact O-CD1 3.35Å; M190-I194 VanDerWaalsContact O-CG1 3.23Å; M190-I194 WeakPolarHBondContact O-CG1 3.42Å; M190-I194 PolarHBondContact O-N 2.98Å; M190-R237 HydrophobicContact CB-CG 3.86Å; M190-R237 HydrophobicContact CE-CG 4.01Å; M190-R237 HydrophobicContact SD-CG 4.34Å; M190-F241 HydrophobicContact CB-CB 4.41Å; M190-F241 HydrophobicContact CB-CD2 3.58Å; M190-F241 HydrophobicContact CB-CE2 3.99Å; M190-F241 HydrophobicContact CB-CG 4.11Å; M190-F241 HydrophobicContact CG-CB 4.3Å; M190-F241 HydrophobicContact CG-CD1 4.12Å; M190-F241 HydrophobicContact CG-CD2 3.42Å; M190-F241 VanDerWaalsContact CG-CD2 3.42Å; M190-F241 HydrophobicContact CG-CE1 4.29Å; M190-F241 HydrophobicContact CG-CE2 3.56Å; M190-F241 HydrophobicContact CG-CG 3.69Å; M190-F241 HydrophobicContact CG-CZ 4Å; M190-F241 HydrophobicContact SD-CB 4.04Å; M190-F241 HydrophobicContact SD-CD1 3.96Å; M190-F241 HydrophobicContact SD-CD2 4.19Å; M190-F241 HydrophobicContact SD-CE1 4.46Å; M190-F241 HydrophobicContact SD-CG 3.8Å; M190-F289 HydrophobicContact SD-CZ 4.27Å; M190-Y293 HydrophobicContact CE-CD1 3.77Å; M190-Y293 HydrophobicContact CE-CE1 4.28Å
191	D	96.3	Very high	91.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.4	-45.8	-177.2	-65	-7.1	0	0	0	111.8	L118 N187 M193 I194 L195 Y216 Y217 R237	L118-D191 HydrophobicContact CD1-CB 3.77Å; N187-D191 VanDerWaalsContact O-CG 3.26Å; N187-D191 PolarHBondContact O-N 3.04Å; D191-M193 PolarHBondContact O-N 3.25Å; D191-I194 PolarHBondContact O-N 2.83Å; D191-L195 WeakPolarHBondContact O-CB 2.97Å; D191-L195 WeakPolarHBondContact O-CG 3.04Å; D191-L195 PolarHBondContact O-N 3.16Å; D191-Y216 HydrophobicContact CB-CE1 3.99Å; D191-Y216 PolarHBondContact OD1-OH 2.97Å; D191-Y217 WeakPolarHBondContact CB-OH 3.45Å; D191-Y217 VanDerWaalsContact CG-OH 3.32Å; D191-Y217 WeakPolarHBondContact OD2-CE1 3.41Å; D191-Y217 PolarHBondContact OD2-OH 3.41Å; D191-R237 WeakPolarHBondContact OD1-CD 3.48Å; D191-R237 WeakPolarHBondContact OD1-CG 3.25Å; D191-R237 IonicContact OD1-CZ 2.72Å; D191-R237 IonicContact OD1-NE 3.15Å; D191-R237 PolarHBondContact OD1-NE 3.03Å; D191-R237 IonicContact OD1-NH2 2.93Å; D191-R237 IonicContact OD2-CZ 3.92Å; D191-R237 IonicContact OD2-NE 3.99Å; D191-R237 PolarHBondContact OD2-NE 2.9Å; D191-R237 VanDerWaalsContact OD2-NE 3.09Å; D191-R237 IonicContact OD2-NH2 3.14Å; D191-R237 PolarHBondContact OD2-NH2 2.9Å
192	G	94.7	Very high	91.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.3	-36.3	174.6	0	0	0	0	0	112.9	G121 G188 G196	G121-G192 CarbonylContact C-O 3.21Å; G121-G192 VanDerWaalsContact CA-O 3.27Å; G121-G192 WeakPolarHBondContact CA-O 3.45Å; G188-G192 PolarHBondContact O-N 3.3Å; G192-G196 WeakPolarHBondContact O-CA 3.29Å; G192-G196 PolarHBondContact O-N 2.97Å
193	M	92.1	Very high	89.8	Confident	4 Å²	4	22.9 Å²	22.9	2%	0.02	14%	0.139	C	C	.	.	H	α-helix	trans	-74.7	-40.3	177.9	-162.5	174.3	80.7	0	0	112.1	I135 T138 R189 M190 D191 T197 F241 L244 V245	I135-M193 HydrophobicContact CG1-SD 4.38Å; I135-M193 HydrophobicContact CG2-SD 4.39Å; T138-M193 HydrophobicContact CG2-CB 4.38Å; R189-M193 WeakPolarHBondContact O-CB 3.45Å; R189-M193 PolarHBondContact O-N 3.46Å; R189-M193 VanDerWaalsContact O-N 3.11Å; M190-M193 PolarHBondContact O-N 3.15Å; M190-M193 VanDerWaalsContact O-N 3.15Å; D191-M193 PolarHBondContact O-N 3.25Å; M193-T197 VanDerWaalsContact O-CB 3.26Å; M193-T197 WeakPolarHBondContact O-CB 3.22Å; M193-T197 PolarHBondContact O-N 3.46Å; M193-T197 PolarHBondContact O-OG1 3.39Å; M193-F241 HydrophobicContact CB-CE2 4.36Å; M193-F241 HydrophobicContact CE-CD2 3.51Å; M193-F241 HydrophobicContact CE-CE1 4.48Å; M193-F241 HydrophobicContact CE-CE2 3.03Å; M193-F241 HydrophobicContact CE-CG 4.45Å; M193-F241 HydrophobicContact CE-CZ 3.61Å; M193-F241 HydrophobicContact SD-CE2 4Å; M193-L244 HydrophobicContact CE-CB 3.83Å; M193-L244 HydrophobicContact CE-CD1 4.29Å; M193-V245 HydrophobicContact CE-CG2 3.28Å
194	I	94.2	Very high	88.1	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-61.1	-58.1	176.9	-68.7	159.3	0	0	0	109.8	M190 D191 T197 E198 L232 R237 N240 F241 L244	M190-I194 WeakPolarHBondContact O-CD1 3.35Å; M190-I194 VanDerWaalsContact O-CG1 3.23Å; M190-I194 WeakPolarHBondContact O-CG1 3.42Å; M190-I194 PolarHBondContact O-N 2.98Å; D191-I194 PolarHBondContact O-N 2.83Å; I194-T197 PolarHBondContact O-N 3.06Å; I194-E198 WeakPolarHBondContact O-CB 3.29Å; I194-E198 PolarHBondContact O-N 2.97Å; I194-L232 HydrophobicContact CG2-CD1 3.66Å; I194-R237 HydrophobicContact CD1-CG 4.21Å; I194-R237 WeakPolarHBondContact CD1-O 3.39Å; I194-N240 HydrophobicContact CD1-CB 3.81Å; I194-N240 HydrophobicContact CG1-CB 4.06Å; I194-N240 HydrophobicContact CG2-CB 4.14Å; I194-F241 HydrophobicContact CD1-CB 4.16Å; I194-F241 HydrophobicContact CG1-CB 4.48Å; I194-L244 HydrophobicContact CB-CD1 4.37Å; I194-L244 HydrophobicContact CG1-CD1 3.96Å
195	L	93.9	Very high	86.2	Confident	0 Å²	0	32 Å²	32	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.5	-42	-176.7	-64.5	176.9	0	0	0	111.5	L118 I122 D191 T197 E198 I199 L212 Y216 L232	L118-L195 HydrophobicContact CD1-CD1 3.84Å; I122-L195 HydrophobicContact CD1-CB 4.44Å; I122-L195 HydrophobicContact CD1-CD1 3.89Å; I122-L195 HydrophobicContact CG1-CB 3.83Å; I122-L195 HydrophobicContact CG1-CD1 4.2Å; D191-L195 WeakPolarHBondContact O-CB 2.97Å; D191-L195 WeakPolarHBondContact O-CG 3.04Å; D191-L195 PolarHBondContact O-N 3.16Å; L195-T197 VanDerWaalsContact C-N 3.3Å; L195-T197 PolarHBondContact O-N 3.09Å; L195-E198 PolarHBondContact O-N 3.37Å; L195-I199 WeakPolarHBondContact O-CB 3.4Å; L195-I199 WeakPolarHBondContact O-CD1 3.38Å; L195-I199 WeakPolarHBondContact O-CG1 3.3Å; L195-I199 PolarHBondContact O-N 3.43Å; L195-L212 HydrophobicContact CD2-CD1 4.26Å; L195-Y216 HydrophobicContact CD1-CD1 4.06Å; L195-Y216 HydrophobicContact CD1-CE1 4.49Å; L195-Y216 HydrophobicContact CD1-CG 4.11Å; L195-Y216 HydrophobicContact CD2-CD2 3.73Å; L195-Y216 HydrophobicContact CD2-CE2 4.2Å; L195-Y216 HydrophobicContact CD2-CG 3.95Å; L195-Y216 HydrophobicContact CG-CD2 4.42Å; L195-Y216 HydrophobicContact CG-CG 4.42Å; L195-L232 HydrophobicContact CD2-CD1 4.22Å; L195-L232 HydrophobicContact CD2-CD2 4.21Å; L195-L232 HydrophobicContact CD2-CG 4.26Å
196	G	92.2	Very high	84.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61	-37.5	176.1	0	0	0	0	0	113.4	G121 G125 G192 S200	G121-G196 VanDerWaalsContact O-CA 3.23Å; G121-G196 WeakPolarHBondContact O-CA 3.04Å; G125-G196 WeakPolarHBondContact CA-O 3.47Å; G192-G196 WeakPolarHBondContact O-CA 3.29Å; G192-G196 PolarHBondContact O-N 2.97Å; G196-S200 VanDerWaalsContact O-CB 3.29Å; G196-S200 WeakPolarHBondContact O-CB 3.49Å; G196-S200 PolarHBondContact O-N 2.88Å
197	T	90.9	Very high	83.9	Confident	38 Å²	38	39.7 Å²	39.7	23%	0.233	25%	0.245	C	C	.	.	H	α-helix	trans	-70.9	-45.9	176.2	-56.3	0	0	0	0	111.1	H134 M193 I194 L195 S200 A201 L244	H134-T197 PolarHBondContact CD2-OG1 3.37Å; H134-T197 PolarHBondContact NE2-OG1 2.9Å; M193-T197 VanDerWaalsContact O-CB 3.26Å; M193-T197 WeakPolarHBondContact O-CB 3.22Å; M193-T197 PolarHBondContact O-N 3.46Å; M193-T197 PolarHBondContact O-OG1 3.39Å; I194-T197 PolarHBondContact O-N 3.06Å; L195-T197 VanDerWaalsContact C-N 3.3Å; L195-T197 PolarHBondContact O-N 3.09Å; T197-S200 PolarHBondContact O-N 3.42Å; T197-A201 PolarHBondContact O-N 3.31Å; T197-A201 VanDerWaalsContact O-N 3.17Å; T197-L244 HydrophobicContact CG2-CD2 3.98Å
198	E	90.6	Very high	83.8	Confident	45 Å²	45	42.2 Å²	42.2	21%	0.21	26%	0.256	C	S	.	.	H	α-helix	trans	-59.6	-49.7	-178.7	-170.2	64.9	-157	0	0	111.8	I194 L195 S200 A201 N202 R231 L232	I194-E198 WeakPolarHBondContact O-CB 3.29Å; I194-E198 PolarHBondContact O-N 2.97Å; L195-E198 PolarHBondContact O-N 3.37Å; E198-S200 VanDerWaalsContact C-N 3.32Å; E198-S200 PolarHBondContact O-N 2.93Å; E198-A201 PolarHBondContact O-N 3.29Å; E198-A201 VanDerWaalsContact O-N 3.15Å; E198-N202 PolarHBondContact O-N 3.32Å; E198-N202 PolarHBondContact OE1-ND2 3.37Å; E198-R231 IonicContact OE1-NH2 2.76Å; E198-R231 PolarHBondContact OE1-NH2 3.22Å; E198-R231 IonicContact OE2-CZ 3.73Å; E198-R231 IonicContact OE2-NH2 3.59Å; E198-R231 PolarHBondContact OE2-NH2 2.88Å; E198-L232 HydrophobicContact CB-CD1 4.47Å; E198-L232 HydrophobicContact CG-CD1 4.29Å; E198-L232 HydrophobicContact CG-CD2 3.89Å
199	I	88.9	Confident	83.8	Confident	24 Å²	24	42.3 Å²	42.3	12%	0.123	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-38.3	179.9	-64.4	162.8	0	0	0	111.2	I122 I126 L195 A201 L206 L212	I122-I199 HydrophobicContact CG2-CD1 3.87Å; I126-I199 HydrophobicContact CG1-CG2 3.75Å; L195-I199 WeakPolarHBondContact O-CB 3.4Å; L195-I199 WeakPolarHBondContact O-CD1 3.38Å; L195-I199 WeakPolarHBondContact O-CG1 3.3Å; L195-I199 PolarHBondContact O-N 3.43Å; I199-A201 PolarHBondContact O-N 3.17Å; I199-L206 HydrophobicContact CG2-CD2 4Å; I199-L212 HydrophobicContact CD1-CD1 4.49Å; I199-L212 HydrophobicContact CD1-CD2 3.52Å
200	S	88.2	Confident	83.9	Confident	40 Å²	40	41.7 Å²	41.7	28%	0.28	26%	0.255	S	S	.	.	H	α-helix	trans	-63.7	-30.4	177.7	-179	0	0	0	0	112.1	K128 G196 T197 E198	K128-S200 WeakPolarHBondContact CE-O 3.38Å; G196-S200 VanDerWaalsContact O-CB 3.29Å; G196-S200 WeakPolarHBondContact O-CB 3.49Å; G196-S200 PolarHBondContact O-N 2.88Å; T197-S200 PolarHBondContact O-N 3.42Å; E198-S200 VanDerWaalsContact C-N 3.32Å; E198-S200 PolarHBondContact O-N 2.93Å
201	A	85.4	Confident	84	Confident	71 Å²	71	43.8 Å²	43.8	59%	0.587	27%	0.27	S	S	*	.	H	α-helix	trans	-85.1	-44.1	-179.5	0	0	0	0	0	112.3	T197 E198 I199	T197-A201 PolarHBondContact O-N 3.31Å; T197-A201 VanDerWaalsContact O-N 3.17Å; E198-A201 PolarHBondContact O-N 3.29Å; E198-A201 VanDerWaalsContact O-N 3.15Å; I199-A201 PolarHBondContact O-N 3.17Å
202	N	76.8	Confident	83.9	Confident	91 Å²	91	45 Å²	45	49%	0.487	28%	0.276	S	S	.	.			trans	-102.1	98	-175.6	-73.5	-29	0	0	0	110.5	E198 S204	E198-N202 PolarHBondContact O-N 3.32Å; E198-N202 PolarHBondContact OE1-ND2 3.37Å; N202-S204 VanDerWaalsContact C-N 3.29Å; N202-S204 PolarHBondContact O-N 3.15Å
203	S	59.8	Low	84	Confident	88 Å²	88	45 Å²	45	62%	0.615	28%	0.276	S	S	*	.			trans	-88.8	19.4	-174.2	-49.2	0	0	0	0	114.1	K128	K128-S203 PolarHBondContact NZ-OG 3.23Å
204	S	54.3	Low	84.1	Confident	98 Å²	98	51 Å²	51	69%	0.685	30%	0.302	S	S	*	.	S	Bend	trans	-74.2	143.8	175.4	38.3	0	0	0	0	110.8	N202 L206	N202-S204 VanDerWaalsContact C-N 3.29Å; N202-S204 PolarHBondContact O-N 3.15Å; S204-L206 PolarHBondContact O-N 2.66Å
205	C	52.5	Low	84.2	Confident	122 Å²	122	56.2 Å²	56.2	82%	0.824	33%	0.327	S	S	*	.			trans	-5.9	100.6	-179.4	-165.2	0	0	0	0	114.4	L207	C205-L207 PolarHBondContact O-N 2.02Å
206	L	61.6	Low	84.3	Confident	92 Å²	92	56.3 Å²	56.3	48%	0.482	33%	0.327	S	S	.	.			trans	-56.4	109.1	179.4	-89.2	153.4	0	0	0	109.6	P48 I126 I199 S204	P48-L206 HydrophobicContact CG-CB 4.3Å; I126-L206 HydrophobicContact CD1-CD2 4.37Å; I126-L206 HydrophobicContact CG1-CD2 3.87Å; I126-L206 HydrophobicContact CG2-CD1 4.02Å; I126-L206 HydrophobicContact CG2-CD2 4.32Å; I199-L206 HydrophobicContact CG2-CD2 4Å; S204-L206 PolarHBondContact O-N 2.66Å
207	L	74.4	Confident	84.6	Confident	86 Å²	86	56.4 Å²	56.4	45%	0.45	33%	0.327	S	S	.	.			trans	-59.7	146.2	167.8	-66	168.3	0	0	0	108.7	P48 C205	P48-L207 WeakPolarHBondContact CG-O 3.2Å; C205-L207 PolarHBondContact O-N 2.02Å
208	K	92.1	Very high	84.7	Confident	61 Å²	61	56.2 Å²	56.2	27%	0.265	33%	0.327	S	S	.	.			trans	-45.3	143.4	164.5	-71.2	-70.7	-174.7	175.9	0	109.8	E40 P44 S46 S210 S211 L212	E40-K208 HydrophobicContact CB-CD 4.15Å; E40-K208 HydrophobicContact CG-CD 4.15Å; E40-K208 WeakPolarHBondContact OE1-CB 3.37Å; P44-K208 PolarHBondContact O-NZ 3.35Å; S46-K208 PolarHBondContact O-NZ 2.86Å; S46-K208 VanDerWaalsContact O-NZ 3.1Å; K208-S210 VanDerWaalsContact C-N 3.26Å; K208-S210 PolarHBondContact O-N 2.75Å; K208-S211 WeakPolarHBondContact O-CB 3.49Å; K208-S211 PolarHBondContact O-N 3.36Å; K208-L212 PolarHBondContact O-N 2.92Å
209	L	94.6	Very high	84.9	Confident	2 Å²	2	57 Å²	57	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-56.3	-41.8	179.8	177.4	63.7	0	0	0	111	V36 E40 V51 L52 L55 I122 S211 L212 L213	V36-L209 HydrophobicContact CG1-CB 4.07Å; V36-L209 HydrophobicContact CG1-CD2 3.8Å; V36-L209 HydrophobicContact CG1-CG 3.96Å; E40-L209 WeakPolarHBondContact OE1-CA 3.42Å; E40-L209 WeakPolarHBondContact OE1-CB 3.34Å; E40-L209 PolarHBondContact OE1-N 2.9Å; V51-L209 HydrophobicContact CG1-CD2 4.23Å; L52-L209 HydrophobicContact CD2-CD1 4.15Å; L52-L209 HydrophobicContact CD2-CD2 3.57Å; L52-L209 HydrophobicContact CG-CD2 3.89Å; L55-L209 HydrophobicContact CD1-CD2 3.84Å; I122-L209 HydrophobicContact CD1-CD1 4.16Å; I122-L209 HydrophobicContact CG2-CD1 4.13Å; L209-S211 VanDerWaalsContact C-N 3.3Å; L209-S211 PolarHBondContact O-N 2.95Å; L209-L212 HydrophobicContact CD1-CD2 4.45Å; L209-L212 PolarHBondContact O-N 3.24Å; L209-L213 HydrophobicContact CD1-CD1 4.14Å; L209-L213 HydrophobicContact CD1-CG 4.08Å; L209-L213 HydrophobicContact CG-CD1 3.96Å; L209-L213 HydrophobicContact CG-CG 4.32Å; L209-L213 WeakPolarHBondContact O-CG 3.33Å; L209-L213 PolarHBondContact O-N 3.4Å
210	S	95.8	Very high	85.1	Confident	9 Å²	9	64 Å²	64	6%	0.063	36%	0.363	C	S	.	.	H	α-helix	trans	-60.1	-39.9	176.5	61.5	0	0	0	0	112.4	E40 K208 L213 K214	E40-S210 PolarHBondContact OE1-N 2.88Å; E40-S210 WeakPolarHBondContact OE2-CB 3.31Å; E40-S210 PolarHBondContact OE2-N 2.81Å; E40-S210 PolarHBondContact OE2-OG 3.43Å; K208-S210 VanDerWaalsContact C-N 3.26Å; K208-S210 PolarHBondContact O-N 2.75Å; S210-L213 PolarHBondContact O-N 2.94Å; S210-K214 WeakPolarHBondContact O-CB 3.48Å; S210-K214 PolarHBondContact O-N 3.26Å
211	S	94.3	Very high	85.4	Confident	46 Å²	46	63 Å²	63	32%	0.322	36%	0.355	S	S	.	.	H	α-helix	trans	-65.5	-42.7	177	-64.3	0	0	0	0	112.2	K208 L209 K214 Q215	K208-S211 WeakPolarHBondContact O-CB 3.49Å; K208-S211 PolarHBondContact O-N 3.36Å; L209-S211 VanDerWaalsContact C-N 3.3Å; L209-S211 PolarHBondContact O-N 2.95Å; S211-K214 PolarHBondContact O-N 2.74Å; S211-Q215 WeakPolarHBondContact O-CG 3.48Å; S211-Q215 PolarHBondContact O-N 2.96Å
212	L	94.2	Very high	85.8	Confident	25 Å²	25	63.7 Å²	63.7	13%	0.131	35%	0.349	C	S	.	.	H	α-helix	trans	-60.5	-51.1	175.1	173.8	70.8	0	0	0	111.2	I122 L195 I199 K208 L209 K214 Q215 Y216	I122-L212 HydrophobicContact CD1-CD2 4.24Å; I122-L212 HydrophobicContact CG2-CD2 4.08Å; L195-L212 HydrophobicContact CD2-CD1 4.26Å; I199-L212 HydrophobicContact CD1-CD1 4.49Å; I199-L212 HydrophobicContact CD1-CD2 3.52Å; K208-L212 PolarHBondContact O-N 2.92Å; L209-L212 HydrophobicContact CD1-CD2 4.45Å; L209-L212 PolarHBondContact O-N 3.24Å; L212-K214 VanDerWaalsContact C-N 3.31Å; L212-K214 PolarHBondContact O-N 3.34Å; L212-Q215 PolarHBondContact O-N 3.39Å; L212-Y216 PolarHBondContact O-N 3.05Å
213	L	96.4	Very high	86.3	Confident	0 Å²	0	71 Å²	71	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-63	-39.8	-179.4	-66.9	175.5	0	0	0	111.2	F32 I33 L118 I122 L209 S210 Y216 Y217	F32-L213 HydrophobicContact CD1-CD1 4.31Å; F32-L213 HydrophobicContact CE1-CD1 3.93Å; I33-L213 HydrophobicContact CD1-CB 3.95Å; I33-L213 HydrophobicContact CG1-CB 3.7Å; I33-L213 HydrophobicContact CG1-CD1 4.34Å; L118-L213 HydrophobicContact CD2-CD2 4.11Å; I122-L213 HydrophobicContact CD1-CD2 4Å; L209-L213 HydrophobicContact CD1-CD1 4.14Å; L209-L213 HydrophobicContact CD1-CG 4.08Å; L209-L213 HydrophobicContact CG-CD1 3.96Å; L209-L213 HydrophobicContact CG-CG 4.32Å; L209-L213 WeakPolarHBondContact O-CG 3.33Å; L209-L213 PolarHBondContact O-N 3.4Å; S210-L213 PolarHBondContact O-N 2.94Å; L213-Y216 PolarHBondContact O-N 3.23Å; L213-Y217 HydrophobicContact CB-CD2 4.48Å; L213-Y217 HydrophobicContact CD2-CD2 4.34Å; L213-Y217 HydrophobicContact CD2-CE2 4.01Å; L213-Y217 WeakPolarHBondContact O-CB 3.47Å; L213-Y217 WeakPolarHBondContact O-CD2 3.41Å; L213-Y217 PolarHBondContact O-N 3.15Å
214	K	96.1	Very high	87.7	Confident	132 Å²	132	73.3 Å²	73.3	57%	0.574	37%	0.37	S	S	*	.	H	α-helix	trans	-63.3	-43.2	175.9	-173.4	176	-179.5	178.3	0	112.4	I33 S210 S211 L212 Y216 S218	I33-K214 HydrophobicContact CG2-CB 4.31Å; S210-K214 WeakPolarHBondContact O-CB 3.48Å; S210-K214 PolarHBondContact O-N 3.26Å; S211-K214 PolarHBondContact O-N 2.74Å; L212-K214 VanDerWaalsContact C-N 3.31Å; L212-K214 PolarHBondContact O-N 3.34Å; K214-Y216 VanDerWaalsContact C-N 3.3Å; K214-Y216 PolarHBondContact O-N 3.24Å; K214-S218 CarbonylContact O-C 3.45Å; K214-S218 WeakPolarHBondContact O-CA 3.14Å; K214-S218 WeakPolarHBondContact O-CB 3.45Å; K214-S218 PolarHBondContact O-N 3.38Å
215	Q	94.3	Very high	89.6	Confident	111 Å²	111	68.7 Å²	68.7	52%	0.519	34%	0.339	S	S	.	.	H	α-helix	trans	-63.4	-38	176.3	-75.2	176.1	14.7	0	0	111.9	S211 L212	S211-Q215 WeakPolarHBondContact O-CG 3.48Å; S211-Q215 PolarHBondContact O-N 2.96Å; L212-Q215 PolarHBondContact O-N 3.39Å
216	Y	96.8	Very high	91.7	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-77.4	-47.8	-177.7	-173.3	-107.5	0	0	0	113.4	D191 L195 L212 L213 K214 L232 I233 S234	D191-Y216 HydrophobicContact CB-CE1 3.99Å; D191-Y216 PolarHBondContact OD1-OH 2.97Å; L195-Y216 HydrophobicContact CD1-CD1 4.06Å; L195-Y216 HydrophobicContact CD1-CE1 4.49Å; L195-Y216 HydrophobicContact CD1-CG 4.11Å; L195-Y216 HydrophobicContact CD2-CD2 3.73Å; L195-Y216 HydrophobicContact CD2-CE2 4.2Å; L195-Y216 HydrophobicContact CD2-CG 3.95Å; L195-Y216 HydrophobicContact CG-CD2 4.42Å; L195-Y216 HydrophobicContact CG-CG 4.42Å; L212-Y216 PolarHBondContact O-N 3.05Å; L213-Y216 PolarHBondContact O-N 3.23Å; K214-Y216 VanDerWaalsContact C-N 3.3Å; K214-Y216 PolarHBondContact O-N 3.24Å; Y216-L232 HydrophobicContact CD2-CG 4.16Å; Y216-L232 WeakPolarHBondContact CD2-O 3.49Å; Y216-L232 HydrophobicContact CE2-CD1 4.47Å; Y216-I233 VanDerWaalsContact CE2-C 3.47Å; Y216-I233 CarbonylContact O-C 3.54Å; Y216-I233 WeakPolarHBondContact O-CA 3.48Å; Y216-S234 PolarHBondContact O-N 3.37Å; Y216-S234 PolarHBondContact O-OG 3.03Å
217	Y	97.7	Very high	93.3	Very high	1 Å²	1	61.9 Å²	61.9	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-90.9	-38.2	-174.4	-71.6	-68.7	0	0	0	113.3	M29 T107 P108 V113 L118 D191 L213 H219	M29-Y217 HydrophobicContact CE-CD1 4.34Å; M29-Y217 HydrophobicContact CE-CD2 3.84Å; M29-Y217 HydrophobicContact CE-CE1 4.1Å; M29-Y217 HydrophobicContact CE-CE2 3.55Å; M29-Y217 HydrophobicContact CE-CG 4.23Å; M29-Y217 HydrophobicContact CG-CD1 4.36Å; M29-Y217 HydrophobicContact CG-CD2 3.82Å; M29-Y217 HydrophobicContact CG-CG 3.75Å; M29-Y217 HydrophobicContact SD-CD2 3.86Å; M29-Y217 HydrophobicContact SD-CE2 4.07Å; M29-Y217 HydrophobicContact SD-CG 4.36Å; T107-Y217 HydrophobicContact CG2-CD1 3.53Å; T107-Y217 HydrophobicContact CG2-CE1 3.63Å; T107-Y217 HydrophobicContact CG2-CG 4.41Å; P108-Y217 WeakPolarHBondContact CG-O 3.27Å; V113-Y217 HydrophobicContact CG1-CE1 4.4Å; L118-Y217 HydrophobicContact CD2-CE2 3.9Å; L118-Y217 WeakPolarHBondContact CD2-OH 3.41Å; D191-Y217 WeakPolarHBondContact CB-OH 3.45Å; D191-Y217 VanDerWaalsContact CG-OH 3.32Å; D191-Y217 WeakPolarHBondContact OD2-CE1 3.41Å; D191-Y217 PolarHBondContact OD2-OH 3.41Å; L213-Y217 HydrophobicContact CB-CD2 4.48Å; L213-Y217 HydrophobicContact CD2-CD2 4.34Å; L213-Y217 HydrophobicContact CD2-CE2 4.01Å; L213-Y217 WeakPolarHBondContact O-CB 3.47Å; L213-Y217 WeakPolarHBondContact O-CD2 3.41Å; L213-Y217 PolarHBondContact O-N 3.15Å; Y217-H219 PolarHBondContact O-N 3.24Å
218	S	94.6	Very high	94.3	Very high	34 Å²	34	60.1 Å²	60.1	24%	0.238	29%	0.289	C	S	.	.	S	Bend	trans	-103	31.4	-170.1	-49.8	0	0	0	0	112.9	E30 K214 Q220	E30-S218 PolarHBondContact OE1-OG 3.07Å; K214-S218 CarbonylContact O-C 3.45Å; K214-S218 WeakPolarHBondContact O-CA 3.14Å; K214-S218 WeakPolarHBondContact O-CB 3.45Å; K214-S218 PolarHBondContact O-N 3.38Å; S218-Q220 PolarHBondContact O-N 3.4Å
219	H	94.4	Very high	94.4	Very high	61 Å²	61	57.6 Å²	57.6	28%	0.282	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-71.9	125.6	173.4	-176.9	74.3	0	0	0	110.4	Y217 P230 I233	Y217-H219 PolarHBondContact O-N 3.24Å; H219-P230 WeakPolarHBondContact NE2-CD 3.35Å; H219-I233 HydrophobicContact CB-CB 4.27Å; H219-I233 HydrophobicContact CB-CG2 3.58Å
220	Q	92.8	Very high	94.4	Very high	171 Å²	171	60.5 Å²	60.5	80%	0.799	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-94.2	124	176.7	-66.9	-176.1	-13.6	0	0	109.8	S218	S218-Q220 PolarHBondContact O-N 3.4Å
221	L	95.1	Very high	94.3	Very high	21 Å²	21	65.2 Å²	65.2	11%	0.11	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-69.2	137.1	174.9	-62.6	-179.2	0	0	0	110.5	M226 A229 L337	L221-M226 HydrophobicContact CD1-CG 3.91Å; L221-M226 HydrophobicContact CD1-SD 3.85Å; L221-M226 HydrophobicContact CD2-SD 3.83Å; L221-M226 HydrophobicContact CG-SD 4.47Å; L221-A229 HydrophobicContact CD2-CB 3.57Å; L221-L337 HydrophobicContact CB-CB 4.33Å
222	D	92.6	Very high	94.4	Very high	85 Å²	85	65.4 Å²	65.4	46%	0.455	31%	0.312	S	S	.	.			trans	-82.4	-171.4	168.3	65.3	30.2	0	0	0	110.9	E224 G225 S228 L337	D222-E224 PolarHBondContact O-N 3.49Å; D222-E224 WeakPolarHBondContact OD1-CA 3.39Å; D222-E224 WeakPolarHBondContact OD1-CB 3.16Å; D222-E224 PolarHBondContact OD1-N 3.4Å; D222-G225 WeakPolarHBondContact O-CA 3.48Å; D222-G225 PolarHBondContact O-N 3.1Å; D222-G225 PolarHBondContact OD1-N 2.63Å; D222-S228 PolarHBondContact OD1-OG 3.35Å; D222-S228 VanDerWaalsContact OD1-OG 3.11Å; D222-L337 VanDerWaalsContact O-CD1 3.27Å; D222-L337 WeakPolarHBondContact O-CD1 3.41Å
223	R	88.9	Confident	94.5	Very high	243 Å²	243	64.2 Å²	64.2	92%	0.917	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.5	-179	-66.2	-175.6	178.6	-174.1	-1.3	114.1
224	E	88.8	Confident	94.5	Very high	137 Å²	137	64.2 Å²	64.2	64%	0.64	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-12.6	173.7	-60	-177.5	177.6	0	0	111.1	D222 D227 S228	D222-E224 PolarHBondContact O-N 3.49Å; D222-E224 WeakPolarHBondContact OD1-CA 3.39Å; D222-E224 WeakPolarHBondContact OD1-CB 3.16Å; D222-E224 PolarHBondContact OD1-N 3.4Å; E224-D227 PolarHBondContact O-N 3.05Å; E224-S228 WeakPolarHBondContact CB-OG 3.09Å; E224-S228 VanDerWaalsContact OE2-CB 3.27Å; E224-S228 WeakPolarHBondContact OE2-CB 3.1Å
225	G	93.1	Very high	94.6	Very high	2 Å²	2	59 Å²	59	2%	0.021	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	67.7	-142.4	166.2	0	0	0	0	0	112.6	D222 D227 S228 A229	D222-G225 WeakPolarHBondContact O-CA 3.48Å; D222-G225 PolarHBondContact O-N 3.1Å; D222-G225 PolarHBondContact OD1-N 2.63Å; G225-D227 PolarHBondContact O-N 3.1Å; G225-S228 PolarHBondContact O-N 3.45Å; G225-S228 PolarHBondContact O-OG 3.5Å; G225-A229 PolarHBondContact O-N 3.37Å
226	M	96.4	Very high	94.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-65.2	-19.5	-179.3	-74.3	-63.5	-61.7	0	0	113.8	L221 A229 I233 Q235 R236 H411	L221-M226 HydrophobicContact CD1-CG 3.91Å; L221-M226 HydrophobicContact CD1-SD 3.85Å; L221-M226 HydrophobicContact CD2-SD 3.83Å; L221-M226 HydrophobicContact CG-SD 4.47Å; M226-A229 HydrophobicContact SD-CB 4.3Å; M226-I233 HydrophobicContact SD-CD1 4.42Å; M226-Q235 HydrophobicContact CE-CB 3.91Å; M226-Q235 HydrophobicContact SD-CB 3.85Å; M226-Q235 HydrophobicContact SD-CG 4.4Å; M226-R236 HydrophobicContact CE-CG 3.59Å; M226-R236 PolarHBondContact O-NH2 3.14Å; M226-H411 HydrophobicContact CB-CB 3.68Å
227	D	95.8	Very high	94.6	Very high	71 Å²	71	55.8 Å²	55.8	38%	0.38	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-72.5	-32.9	-176.9	-68.5	-13.3	0	0	0	112.2	E224 G225 S409 Q410 H411	E224-D227 PolarHBondContact O-N 3.05Å; G225-D227 PolarHBondContact O-N 3.1Å; D227-S409 WeakPolarHBondContact OD2-CA 3.41Å; D227-S409 WeakPolarHBondContact OD2-CB 3.19Å; D227-Q410 PolarHBondContact OD1-N 3.01Å; D227-Q410 PolarHBondContact OD2-N 3.35Å; D227-H411 VanDerWaalsContact OD1-CB 3.31Å; D227-H411 WeakPolarHBondContact OD1-CB 3.49Å; D227-H411 PolarHBondContact OD1-N 3.21Å
228	S	94.8	Very high	94.5	Very high	48 Å²	48	57.5 Å²	57.5	34%	0.336	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-15.3	175.9	68	0	0	0	0	113.3	D222 E224 G225	D222-S228 PolarHBondContact OD1-OG 3.35Å; D222-S228 VanDerWaalsContact OD1-OG 3.11Å; E224-S228 WeakPolarHBondContact CB-OG 3.09Å; E224-S228 VanDerWaalsContact OE2-CB 3.27Å; E224-S228 WeakPolarHBondContact OE2-CB 3.1Å; G225-S228 PolarHBondContact O-N 3.45Å; G225-S228 PolarHBondContact O-OG 3.5Å
229	A	95.6	Very high	94.5	Very high	9 Å²	9	58.3 Å²	58.3	7%	0.074	27%	0.274	C	S	.	.			trans	-60	138.3	-170.8	0	0	0	0	0	112.9	L221 G225 M226 I233 R236	L221-A229 HydrophobicContact CD2-CB 3.57Å; G225-A229 PolarHBondContact O-N 3.37Å; M226-A229 HydrophobicContact SD-CB 4.3Å; A229-I233 HydrophobicContact CB-CD1 3.78Å; A229-R236 PolarHBondContact O-NE 3.12Å; A229-R236 PolarHBondContact O-NH2 3.17Å
230	P	95.1	Very high	94.6	Very high	63 Å²	63	55.6 Å²	55.6	41%	0.409	26%	0.261	S	S	.	.			trans	-60.9	153	-178.6	25	-31.4	0	0	0	111.3	H219 L232 I233 R236	H219-P230 WeakPolarHBondContact NE2-CD 3.35Å; P230-L232 PolarHBondContact O-N 3.48Å; P230-I233 HydrophobicContact CG-CG2 3.81Å; P230-I233 WeakPolarHBondContact O-CG1 3.32Å; P230-R236 WeakPolarHBondContact O-CD 3.47Å
231	R	93.8	Very high	94.5	Very high	108 Å²	108	47.7 Å²	47.7	41%	0.408	22%	0.224	S	C	.	.	S	Bend	trans	-59.1	-46.4	-177.1	-175.3	-175.2	69.7	85	-4.2	112.3	E198 I233 N240	E198-R231 IonicContact OE1-NH2 2.76Å; E198-R231 PolarHBondContact OE1-NH2 3.22Å; E198-R231 IonicContact OE2-CZ 3.73Å; E198-R231 IonicContact OE2-NH2 3.59Å; E198-R231 PolarHBondContact OE2-NH2 2.88Å; R231-I233 PolarHBondContact O-N 3.48Å; R231-I233 VanDerWaalsContact O-N 3.09Å; R231-N240 WeakPolarHBondContact CG-OD1 3.44Å; R231-N240 PolarHBondContact NH1-OD1 2.67Å; R231-N240 PolarHBondContact O-ND2 3.23Å; R231-N240 PolarHBondContact O-OD1 3.25Å
232	L	94.5	Very high	94.4	Very high	49 Å²	49	49.9 Å²	49.9	26%	0.257	23%	0.233	S	C	.	.	S	Bend	trans	-89.8	67	-167.6	-165.1	72.4	0	0	0	112.6	I194 L195 E198 Y216 P230	I194-L232 HydrophobicContact CG2-CD1 3.66Å; L195-L232 HydrophobicContact CD2-CD1 4.22Å; L195-L232 HydrophobicContact CD2-CD2 4.21Å; L195-L232 HydrophobicContact CD2-CG 4.26Å; E198-L232 HydrophobicContact CB-CD1 4.47Å; E198-L232 HydrophobicContact CG-CD1 4.29Å; E198-L232 HydrophobicContact CG-CD2 3.89Å; Y216-L232 HydrophobicContact CD2-CG 4.16Å; Y216-L232 WeakPolarHBondContact CD2-O 3.49Å; Y216-L232 HydrophobicContact CE2-CD1 4.47Å; P230-L232 PolarHBondContact O-N 3.48Å
233	I	97.1	Very high	94.3	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	24%	0.244	C	C	.	.	S	Bend	trans	-132.5	158.7	175.5	64.5	179.7	0	0	0	111.2	Y216 H219 M226 A229 P230 R231 Q235 R236	Y216-I233 VanDerWaalsContact CE2-C 3.47Å; Y216-I233 CarbonylContact O-C 3.54Å; Y216-I233 WeakPolarHBondContact O-CA 3.48Å; H219-I233 HydrophobicContact CB-CB 4.27Å; H219-I233 HydrophobicContact CB-CG2 3.58Å; M226-I233 HydrophobicContact SD-CD1 4.42Å; A229-I233 HydrophobicContact CB-CD1 3.78Å; P230-I233 HydrophobicContact CG-CG2 3.81Å; P230-I233 WeakPolarHBondContact O-CG1 3.32Å; R231-I233 PolarHBondContact O-N 3.48Å; R231-I233 VanDerWaalsContact O-N 3.09Å; I233-Q235 HydrophobicContact CD1-CB 4.28Å; I233-Q235 HydrophobicContact CG1-CB 4.42Å; I233-Q235 PolarHBondContact O-N 2.89Å; I233-R236 HydrophobicContact CD1-CG 4.26Å; I233-R236 HydrophobicContact CG1-CB 4.11Å; I233-R236 HydrophobicContact CG1-CG 3.91Å; I233-R236 PolarHBondContact O-N 3.46Å; I233-R236 VanDerWaalsContact O-N 3.1Å
234	S	97.2	Very high	94.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-63	-36.3	-176.9	60.1	0	0	0	0	113.7	D109 Y216 R236 R237	D109-S234 WeakPolarHBondContact OD2-CB 3.48Å; D109-S234 PolarHBondContact OD2-OG 3.09Å; Y216-S234 PolarHBondContact O-N 3.37Å; Y216-S234 PolarHBondContact O-OG 3.03Å; S234-R236 PolarHBondContact O-N 2.92Å; S234-R236 VanDerWaalsContact O-N 3.13Å; S234-R237 WeakPolarHBondContact O-CB 3.35Å; S234-R237 PolarHBondContact O-N 2.92Å
235	Q	96.9	Very high	94	Very high	23 Å²	23	38.4 Å²	38.4	11%	0.107	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-59.1	-27.8	174.1	-60.9	93	-32.3	0	0	112.6	D109 M226 I233 Y373	D109-Q235 HydrophobicContact CB-CG 3.86Å; M226-Q235 HydrophobicContact CE-CB 3.91Å; M226-Q235 HydrophobicContact SD-CB 3.85Å; M226-Q235 HydrophobicContact SD-CG 4.4Å; I233-Q235 HydrophobicContact CD1-CB 4.28Å; I233-Q235 HydrophobicContact CG1-CB 4.42Å; I233-Q235 PolarHBondContact O-N 2.89Å; Q235-Y373 HydrophobicContact CB-CE2 4.25Å; Q235-Y373 HydrophobicContact CG-CE2 3.93Å
236	R	96.6	Very high	93.6	Very high	38 Å²	38	44.1 Å²	44.1	14%	0.143	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-95.8	13.2	176.6	-66.1	-172.3	177.3	-80.4	10.5	113.5	M226 A229 P230 I233 S234 R238 E239 N240	M226-R236 HydrophobicContact CE-CG 3.59Å; M226-R236 PolarHBondContact O-NH2 3.14Å; A229-R236 PolarHBondContact O-NE 3.12Å; A229-R236 PolarHBondContact O-NH2 3.17Å; P230-R236 WeakPolarHBondContact O-CD 3.47Å; I233-R236 HydrophobicContact CD1-CG 4.26Å; I233-R236 HydrophobicContact CG1-CB 4.11Å; I233-R236 HydrophobicContact CG1-CG 3.91Å; I233-R236 PolarHBondContact O-N 3.46Å; I233-R236 VanDerWaalsContact O-N 3.1Å; S234-R236 PolarHBondContact O-N 2.92Å; S234-R236 VanDerWaalsContact O-N 3.13Å; R236-R238 PolarHBondContact O-N 3.27Å; R236-E239 WeakPolarHBondContact CG-OE2 3.27Å; R236-E239 IonicContact CZ-OE2 2.71Å; R236-E239 IonicContact NH1-OE1 2.73Å; R236-E239 IonicContact NH1-OE2 3.67Å; R236-E239 PolarHBondContact NH1-OE2 3.01Å; R236-E239 PolarHBondContact O-N 2.91Å; R236-E239 VanDerWaalsContact O-N 3.17Å; R236-N240 WeakPolarHBondContact O-CB 3.34Å; R236-N240 PolarHBondContact O-N 2.76Å; R236-N240 PolarHBondContact O-ND2 2.9Å; R236-N240 VanDerWaalsContact O-ND2 3.15Å
237	R	95.8	Very high	93	Very high	6 Å²	6	46.2 Å²	46.2	2%	0.023	23%	0.232	C	C	.	.	H	α-helix	trans	-47.3	-53.8	-178.4	170.5	-172.8	-53.6	125	2	112.7	T111 M190 D191 I194 S234 E239 N240 F241	T111-R237 PolarHBondContact OG1-NH1 2.7Å; T111-R237 PolarHBondContact OG1-NH2 3.38Å; M190-R237 HydrophobicContact CB-CG 3.86Å; M190-R237 HydrophobicContact CE-CG 4.01Å; M190-R237 HydrophobicContact SD-CG 4.34Å; D191-R237 WeakPolarHBondContact OD1-CD 3.48Å; D191-R237 WeakPolarHBondContact OD1-CG 3.25Å; D191-R237 IonicContact OD1-CZ 2.72Å; D191-R237 IonicContact OD1-NE 3.15Å; D191-R237 PolarHBondContact OD1-NE 3.03Å; D191-R237 IonicContact OD1-NH2 2.93Å; D191-R237 IonicContact OD2-CZ 3.92Å; D191-R237 IonicContact OD2-NE 3.99Å; D191-R237 PolarHBondContact OD2-NE 2.9Å; D191-R237 VanDerWaalsContact OD2-NE 3.09Å; D191-R237 IonicContact OD2-NH2 3.14Å; D191-R237 PolarHBondContact OD2-NH2 2.9Å; I194-R237 HydrophobicContact CD1-CG 4.21Å; I194-R237 WeakPolarHBondContact CD1-O 3.39Å; S234-R237 WeakPolarHBondContact O-CB 3.35Å; S234-R237 PolarHBondContact O-N 2.92Å; R237-E239 PolarHBondContact O-N 3.46Å; R237-N240 PolarHBondContact O-N 3.28Å; R237-F241 VanDerWaalsContact O-CB 3.26Å; R237-F241 WeakPolarHBondContact O-CB 2.96Å; R237-F241 PolarHBondContact O-N 2.64Å
238	R	94.8	Very high	92.4	Very high	37 Å²	37	46.3 Å²	46.3	14%	0.14	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-41.5	-176.6	-66.3	-176	-177.1	-161.8	2	111.6	R236 F241 K242 M292 C296 P297	R236-R238 PolarHBondContact O-N 3.27Å; R238-F241 PolarHBondContact O-N 3.46Å; R238-K242 VanDerWaalsContact O-CG 3.25Å; R238-K242 WeakPolarHBondContact O-CG 3.46Å; R238-K242 PolarHBondContact O-N 3.49Å; R238-M292 PolarHBondContact NH1-O 3.29Å; R238-C296 PolarHBondContact NH1-O 3.03Å; R238-P297 VanDerWaalsContact NH1-C 3.26Å; R238-P297 PolarHBondContact NH1-O 3.05Å
239	E	94.9	Very high	92	Very high	52 Å²	52	53 Å²	53	24%	0.243	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-49.5	176.6	-65.3	168.2	-167	0	0	111.7	R236 R237 F241 K242 L243 H411	R236-E239 WeakPolarHBondContact CG-OE2 3.27Å; R236-E239 IonicContact CZ-OE2 2.71Å; R236-E239 IonicContact NH1-OE1 2.73Å; R236-E239 IonicContact NH1-OE2 3.67Å; R236-E239 PolarHBondContact NH1-OE2 3.01Å; R236-E239 PolarHBondContact O-N 2.91Å; R236-E239 VanDerWaalsContact O-N 3.17Å; R237-E239 PolarHBondContact O-N 3.46Å; E239-F241 VanDerWaalsContact C-N 3.32Å; E239-F241 PolarHBondContact O-N 2.03Å; E239-K242 WeakPolarHBondContact O-CB 3.03Å; E239-K242 PolarHBondContact O-N 2.54Å; E239-L243 PolarHBondContact O-N 3.25Å; E239-H411 IonicContact OE1-CD2 3.3Å; E239-H411 PolarHBondContact OE1-CD2 3.49Å; E239-H411 IonicContact OE1-CE1 3.77Å; E239-H411 IonicContact OE1-NE2 2.66Å; E239-H411 PolarHBondContact OE1-NE2 2.83Å
240	N	95.1	Very high	91.3	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-61.7	-41.4	176.9	-76	-44.4	0	0	0	112.2	I194 R231 R236 R237 K242 L243	I194-N240 HydrophobicContact CD1-CB 3.81Å; I194-N240 HydrophobicContact CG1-CB 4.06Å; I194-N240 HydrophobicContact CG2-CB 4.14Å; R231-N240 WeakPolarHBondContact CG-OD1 3.44Å; R231-N240 PolarHBondContact NH1-OD1 2.67Å; R231-N240 PolarHBondContact O-ND2 3.23Å; R231-N240 PolarHBondContact O-OD1 3.25Å; R236-N240 WeakPolarHBondContact O-CB 3.34Å; R236-N240 PolarHBondContact O-N 2.76Å; R236-N240 PolarHBondContact O-ND2 2.9Å; R236-N240 VanDerWaalsContact O-ND2 3.15Å; R237-N240 PolarHBondContact O-N 3.28Å; N240-K242 PolarHBondContact O-N 3.35Å; N240-L243 WeakPolarHBondContact O-CB 3.18Å; N240-L243 PolarHBondContact O-N 3.47Å
241	F	92.5	Very high	90.8	Very high	6 Å²	6	53.5 Å²	53.5	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-65	-39	179.7	-170.3	-96.4	0	0	0	112.3	M190 M193 I194 R237 R238 E239 L243 L244 V245 F289 M294	M190-F241 HydrophobicContact CB-CB 4.41Å; M190-F241 HydrophobicContact CB-CD2 3.58Å; M190-F241 HydrophobicContact CB-CE2 3.99Å; M190-F241 HydrophobicContact CB-CG 4.11Å; M190-F241 HydrophobicContact CG-CB 4.3Å; M190-F241 HydrophobicContact CG-CD1 4.12Å; M190-F241 HydrophobicContact CG-CD2 3.42Å; M190-F241 VanDerWaalsContact CG-CD2 3.42Å; M190-F241 HydrophobicContact CG-CE1 4.29Å; M190-F241 HydrophobicContact CG-CE2 3.56Å; M190-F241 HydrophobicContact CG-CG 3.69Å; M190-F241 HydrophobicContact CG-CZ 4Å; M190-F241 HydrophobicContact SD-CB 4.04Å; M190-F241 HydrophobicContact SD-CD1 3.96Å; M190-F241 HydrophobicContact SD-CD2 4.19Å; M190-F241 HydrophobicContact SD-CE1 4.46Å; M190-F241 HydrophobicContact SD-CG 3.8Å; M193-F241 HydrophobicContact CB-CE2 4.36Å; M193-F241 HydrophobicContact CE-CD2 3.51Å; M193-F241 HydrophobicContact CE-CE1 4.48Å; M193-F241 HydrophobicContact CE-CE2 3.03Å; M193-F241 HydrophobicContact CE-CG 4.45Å; M193-F241 HydrophobicContact CE-CZ 3.61Å; M193-F241 HydrophobicContact SD-CE2 4Å; I194-F241 HydrophobicContact CD1-CB 4.16Å; I194-F241 HydrophobicContact CG1-CB 4.48Å; R237-F241 VanDerWaalsContact O-CB 3.26Å; R237-F241 WeakPolarHBondContact O-CB 2.96Å; R237-F241 PolarHBondContact O-N 2.64Å; R238-F241 PolarHBondContact O-N 3.46Å; E239-F241 VanDerWaalsContact C-N 3.32Å; E239-F241 PolarHBondContact O-N 2.03Å; F241-L243 PolarHBondContact O-N 3.31Å; F241-L244 PolarHBondContact O-N 3.46Å; F241-V245 HydrophobicContact CD1-CB 4.45Å; F241-V245 HydrophobicContact CD1-CG2 3.96Å; F241-V245 HydrophobicContact CD2-CG2 4.47Å; F241-V245 HydrophobicContact CE1-CB 4.04Å; F241-V245 HydrophobicContact CE1-CG1 4.35Å; F241-V245 HydrophobicContact CE1-CG2 3.41Å; F241-V245 VanDerWaalsContact CE1-CG2 3.41Å; F241-V245 HydrophobicContact CE2-CG2 4.05Å; F241-V245 HydrophobicContact CG-CG2 4.46Å; F241-V245 HydrophobicContact CZ-CG2 3.5Å; F241-V245 PolarHBondContact O-N 3.18Å; F241-F289 HydrophobicContact CD1-CE1 4.26Å; F241-F289 HydrophobicContact CD1-CZ 4.03Å; F241-F289 AromaticContact CE1-CE1 3.52Å; F241-F289 HydrophobicContact CE1-CE1 3.52Å; F241-F289 AromaticContact CE1-CZ 3.33Å; F241-F289 HydrophobicContact CE1-CZ 3.33Å; F241-F289 HydrophobicContact CZ-CE1 4.32Å; F241-F289 AromaticContact CZ-CZ 3.86Å; F241-F289 HydrophobicContact CZ-CZ 3.86Å; F241-M294 HydrophobicContact CD1-CE 3.98Å; F241-M294 HydrophobicContact CE1-CE 4.02Å
242	K	91.8	Very high	90.4	Very high	66 Å²	66	57.3 Å²	57.3	29%	0.287	27%	0.265	S	S	.	.	H	α-helix	trans	-55.6	-38.4	175.5	-73.7	165.4	-175.5	-173.1	0	112.3	R238 E239 N240 L244 V245 M294	R238-K242 VanDerWaalsContact O-CG 3.25Å; R238-K242 WeakPolarHBondContact O-CG 3.46Å; R238-K242 PolarHBondContact O-N 3.49Å; E239-K242 WeakPolarHBondContact O-CB 3.03Å; E239-K242 PolarHBondContact O-N 2.54Å; N240-K242 PolarHBondContact O-N 3.35Å; K242-L244 PolarHBondContact O-N 2.64Å; K242-V245 PolarHBondContact O-N 2.67Å; K242-M294 VanDerWaalsContact CE-C 3.49Å; K242-M294 WeakPolarHBondContact CE-O 3.3Å; K242-M294 HydrophobicContact CG-CB 4.17Å; K242-M294 HydrophobicContact CG-CG 4.06Å; K242-M294 PolarHBondContact NZ-O 2.92Å
243	L	90.8	Very high	89.9	Confident	133 Å²	133	56.6 Å²	56.6	70%	0.696	26%	0.26	S	S	*	.	H	α-helix	trans	-66.1	-22	178.9	-59.6	175.7	0	0	0	113	E239 N240 F241	E239-L243 PolarHBondContact O-N 3.25Å; N240-L243 WeakPolarHBondContact O-CB 3.18Å; N240-L243 PolarHBondContact O-N 3.47Å; F241-L243 PolarHBondContact O-N 3.31Å
244	L	86.6	Confident	89.3	Confident	70 Å²	70	56.7 Å²	56.7	37%	0.366	26%	0.261	S	S	.	.	H	α-helix	trans	-96.3	-16.8	-175.8	-58.4	-178	0	0	0	113.6	M193 I194 T197 F241 K242	M193-L244 HydrophobicContact CE-CB 3.83Å; M193-L244 HydrophobicContact CE-CD1 4.29Å; I194-L244 HydrophobicContact CB-CD1 4.37Å; I194-L244 HydrophobicContact CG1-CD1 3.96Å; T197-L244 HydrophobicContact CG2-CD2 3.98Å; F241-L244 PolarHBondContact O-N 3.46Å; K242-L244 PolarHBondContact O-N 2.64Å
245	V	84	Confident	88.7	Confident	21 Å²	21	57.4 Å²	57.4	13%	0.127	26%	0.264	C	S	.	.			trans	-121.2	128.1	-166.6	178	0	0	0	0	112.4	M193 F241 K242 L250 M294	M193-V245 HydrophobicContact CE-CG2 3.28Å; F241-V245 HydrophobicContact CD1-CB 4.45Å; F241-V245 HydrophobicContact CD1-CG2 3.96Å; F241-V245 HydrophobicContact CD2-CG2 4.47Å; F241-V245 HydrophobicContact CE1-CB 4.04Å; F241-V245 HydrophobicContact CE1-CG1 4.35Å; F241-V245 HydrophobicContact CE1-CG2 3.41Å; F241-V245 VanDerWaalsContact CE1-CG2 3.41Å; F241-V245 HydrophobicContact CE2-CG2 4.05Å; F241-V245 HydrophobicContact CG-CG2 4.46Å; F241-V245 HydrophobicContact CZ-CG2 3.5Å; F241-V245 PolarHBondContact O-N 3.18Å; K242-V245 PolarHBondContact O-N 2.67Å; V245-L250 HydrophobicContact CG1-CB 4.03Å; V245-L250 HydrophobicContact CG1-CD1 4.24Å; V245-L250 HydrophobicContact CG1-CD2 3.92Å; V245-L250 HydrophobicContact CG1-CG 4.3Å; V245-M294 HydrophobicContact CB-CE 3.6Å; V245-M294 HydrophobicContact CG1-CE 3.63Å
246	F	86.1	Confident	88.3	Confident	123 Å²	123	59.7 Å²	59.7	54%	0.539	28%	0.279	S	S	.	.			trans	-112.3	117.7	167	-176.4	-118.6	0	0	0	109.2	P248 R249 L250	F246-P248 HydrophobicContact CD1-CB 4.09Å; F246-P248 HydrophobicContact CD1-CG 4.01Å; F246-P248 HydrophobicContact CE1-CB 3.74Å; F246-P248 HydrophobicContact CE1-CG 3.47Å; F246-P248 VanDerWaalsContact CE1-CG 3.47Å; F246-P248 HydrophobicContact CE2-CG 4.43Å; F246-P248 HydrophobicContact CZ-CB 4.46Å; F246-P248 HydrophobicContact CZ-CG 3.71Å; F246-R249 HydrophobicContact CB-CB 4.32Å; F246-R249 HydrophobicContact CD1-CB 4.33Å; F246-R249 HydrophobicContact CD1-CG 3.98Å; F246-R249 WeakPolarHBondContact O-CA 3.35Å; F246-R249 WeakPolarHBondContact O-CB 3.48Å; F246-R249 PolarHBondContact O-N 2.96Å; F246-L250 PolarHBondContact O-N 3.11Å
247	P	82.9	Confident	87.8	Confident	43 Å²	43	57.9 Å²	57.9	28%	0.279	27%	0.273	S	S	.	.	H	α-helix	trans	-53.8	-40.7	-168.7	-25.4	31.6	0	0	0	115.4	R249 L250 M251 I286 V290	P247-R249 VanDerWaalsContact C-N 3.32Å; P247-R249 PolarHBondContact O-N 2.94Å; P247-L250 WeakPolarHBondContact O-CB 3.36Å; P247-L250 PolarHBondContact O-N 3.17Å; P247-M251 PolarHBondContact O-N 3.31Å; P247-I286 HydrophobicContact CB-CG2 4.19Å; P247-V290 HydrophobicContact CB-CG2 4.03Å; P247-V290 HydrophobicContact CG-CG2 3.75Å
248	P	84.6	Confident	87.2	Confident	73 Å²	73	57.7 Å²	57.7	47%	0.474	27%	0.272	S	S	.	.	H	α-helix	trans	-62.2	-35.6	174.2	-26.2	36.2	0	0	0	114.1	F246 R252	F246-P248 HydrophobicContact CD1-CB 4.09Å; F246-P248 HydrophobicContact CD1-CG 4.01Å; F246-P248 HydrophobicContact CE1-CB 3.74Å; F246-P248 HydrophobicContact CE1-CG 3.47Å; F246-P248 VanDerWaalsContact CE1-CG 3.47Å; F246-P248 HydrophobicContact CE2-CG 4.43Å; F246-P248 HydrophobicContact CZ-CB 4.46Å; F246-P248 HydrophobicContact CZ-CG 3.71Å; P248-R252 PolarHBondContact O-N 3.22Å
249	R	84.8	Confident	86.8	Confident	190 Å²	190	58.6 Å²	58.6	72%	0.717	28%	0.278	S	S	*	.	H	α-helix	trans	-71.5	-39.2	174.8	-79	176.3	-177.6	-170.5	2.5	110.9	F246 P247 M251 R252 K253	F246-R249 HydrophobicContact CB-CB 4.32Å; F246-R249 HydrophobicContact CD1-CB 4.33Å; F246-R249 HydrophobicContact CD1-CG 3.98Å; F246-R249 WeakPolarHBondContact O-CA 3.35Å; F246-R249 WeakPolarHBondContact O-CB 3.48Å; F246-R249 PolarHBondContact O-N 2.96Å; P247-R249 VanDerWaalsContact C-N 3.32Å; P247-R249 PolarHBondContact O-N 2.94Å; R249-M251 VanDerWaalsContact C-N 3.34Å; R249-M251 PolarHBondContact O-N 3.5Å; R249-R252 PolarHBondContact O-N 2.62Å; R249-K253 WeakPolarHBondContact O-CB 3.5Å; R249-K253 PolarHBondContact O-N 2.76Å
250	L	81.9	Confident	86.4	Confident	16 Å²	16	57.4 Å²	57.4	8%	0.084	27%	0.273	C	S	.	.	H	α-helix	trans	-56.9	-48.7	175.7	-171.3	66.6	0	0	0	110.8	L139 V245 F246 P247 R252 K253 T254 I286 F289	L139-L250 HydrophobicContact CD1-CD1 3.5Å; L139-L250 VanDerWaalsContact CD1-CD1 3.5Å; L139-L250 HydrophobicContact CD2-CD1 3.65Å; L139-L250 HydrophobicContact CG-CD1 4.25Å; V245-L250 HydrophobicContact CG1-CB 4.03Å; V245-L250 HydrophobicContact CG1-CD1 4.24Å; V245-L250 HydrophobicContact CG1-CD2 3.92Å; V245-L250 HydrophobicContact CG1-CG 4.3Å; F246-L250 PolarHBondContact O-N 3.11Å; P247-L250 WeakPolarHBondContact O-CB 3.36Å; P247-L250 PolarHBondContact O-N 3.17Å; L250-R252 PolarHBondContact O-N 3.43Å; L250-K253 PolarHBondContact O-N 3.32Å; L250-T254 WeakPolarHBondContact O-CB 3.15Å; L250-T254 PolarHBondContact O-N 2.78Å; L250-T254 PolarHBondContact O-OG1 3.41Å; L250-I286 HydrophobicContact CB-CD1 4.38Å; L250-I286 HydrophobicContact CD2-CD1 4.31Å; L250-I286 HydrophobicContact CD2-CG1 4.12Å; L250-I286 HydrophobicContact CD2-CG2 4.3Å; L250-I286 HydrophobicContact CG-CD1 4.13Å; L250-I286 HydrophobicContact CG-CG1 4.45Å; L250-F289 HydrophobicContact CD2-CD1 4.47Å
251	M	83.5	Confident	85.9	Confident	65 Å²	65	58.4 Å²	58.4	32%	0.32	28%	0.278	S	S	.	.	H	α-helix	trans	-56.7	-48	177.8	-173.3	-169.3	72.2	0	0	112.4	P247 R249 M255 V282 I286	P247-M251 PolarHBondContact O-N 3.31Å; R249-M251 VanDerWaalsContact C-N 3.34Å; R249-M251 PolarHBondContact O-N 3.5Å; M251-M255 WeakPolarHBondContact O-CG 3.46Å; M251-M255 PolarHBondContact O-N 3.06Å; M251-M255 VanDerWaalsContact O-N 3.1Å; M251-V282 HydrophobicContact CG-CG1 4.13Å; M251-I286 HydrophobicContact CB-CD1 3.6Å; M251-I286 HydrophobicContact CG-CD1 4.16Å
252	R	85.4	Confident	85.5	Confident	188 Å²	188	59.4 Å²	59.4	71%	0.709	28%	0.283	S	S	*	.	H	α-helix	trans	-61.8	-47.3	179.1	-172.6	-176.8	-62.4	-175.8	-0.1	110.8	P248 R249 L250 M255 T256	P248-R252 PolarHBondContact O-N 3.22Å; R249-R252 PolarHBondContact O-N 2.62Å; L250-R252 PolarHBondContact O-N 3.43Å; R252-M255 PolarHBondContact O-N 3.15Å; R252-T256 PolarHBondContact O-N 2.92Å; R252-T256 PolarHBondContact O-OG1 3.1Å
253	K	84.6	Confident	85.3	Confident	34 Å²	34	65.2 Å²	65.2	15%	0.148	30%	0.303	C	S	.	.	H	α-helix	trans	-63	-44.4	-178.4	-166.2	70.4	165.1	-174.9	0	111.2	I135 H136 L139 R249 L250 M255 T256 T257	I135-K253 HydrophobicContact CG2-CD 4.35Å; I135-K253 HydrophobicContact CG2-CG 3.73Å; H136-K253 PolarHBondContact CD2-NZ 3.44Å; H136-K253 VanDerWaalsContact CD2-NZ 3.33Å; H136-K253 WeakPolarHBondContact CE1-CE 3.36Å; H136-K253 PolarHBondContact CE1-NZ 3.27Å; H136-K253 WeakPolarHBondContact NE2-CE 3.48Å; H136-K253 PolarHBondContact NE2-NZ 2.94Å; L139-K253 HydrophobicContact CD1-CB 4.45Å; L139-K253 HydrophobicContact CD1-CG 4.14Å; R249-K253 WeakPolarHBondContact O-CB 3.5Å; R249-K253 PolarHBondContact O-N 2.76Å; L250-K253 PolarHBondContact O-N 3.32Å; K253-M255 PolarHBondContact O-N 3.46Å; K253-T256 PolarHBondContact O-N 3.13Å; K253-T257 WeakPolarHBondContact O-CB 3.41Å; K253-T257 PolarHBondContact O-N 3.45Å; K253-T257 PolarHBondContact O-OG1 3.26Å
254	T	83.9	Confident	85.2	Confident	4 Å²	4	61.3 Å²	61.3	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-55.6	-51.4	174.5	-66	0	0	0	0	111.6	L143 L250 T256 T257 V258 V282	L143-T254 HydrophobicContact CD1-CG2 3.33Å; L250-T254 WeakPolarHBondContact O-CB 3.15Å; L250-T254 PolarHBondContact O-N 2.78Å; L250-T254 PolarHBondContact O-OG1 3.41Å; T254-T256 PolarHBondContact O-N 3.38Å; T254-T257 PolarHBondContact O-N 3.33Å; T254-T257 VanDerWaalsContact O-N 3.13Å; T254-V258 WeakPolarHBondContact O-CG2 3.49Å; T254-V258 PolarHBondContact O-N 3.39Å; T254-V282 HydrophobicContact CG2-CB 4.5Å; T254-V282 HydrophobicContact CG2-CG1 3.65Å; T254-V282 HydrophobicContact CG2-CG2 3.95Å
255	M	85.2	Confident	85	Confident	15 Å²	15	61.5 Å²	61.5	7%	0.074	29%	0.286	C	S	.	.	H	α-helix	trans	-60.1	-47	179.2	-69.9	-61.2	-58.1	0	0	112.4	M251 R252 K253 T257 V258 E259 K275 L278 R279 V282	M251-M255 WeakPolarHBondContact O-CG 3.46Å; M251-M255 PolarHBondContact O-N 3.06Å; M251-M255 VanDerWaalsContact O-N 3.1Å; R252-M255 PolarHBondContact O-N 3.15Å; K253-M255 PolarHBondContact O-N 3.46Å; M255-T257 PolarHBondContact O-N 2.87Å; M255-V258 PolarHBondContact O-N 3.32Å; M255-E259 WeakPolarHBondContact O-CG 3.14Å; M255-E259 PolarHBondContact O-N 3.39Å; M255-E259 VanDerWaalsContact O-N 3.15Å; M255-K275 HydrophobicContact CE-CG 4.23Å; M255-L278 HydrophobicContact CE-CB 4.42Å; M255-L278 HydrophobicContact CE-CD2 3.86Å; M255-L278 HydrophobicContact CE-CG 4.05Å; M255-L278 HydrophobicContact SD-CD2 4.14Å; M255-L278 HydrophobicContact SD-CG 3.98Å; M255-R279 HydrophobicContact CE-CB 4.19Å; M255-R279 HydrophobicContact SD-CB 4.28Å; M255-V282 HydrophobicContact SD-CB 4.21Å; M255-V282 HydrophobicContact SD-CG1 4.47Å; M255-V282 HydrophobicContact SD-CG2 3.93Å
256	T	87.7	Confident	85.1	Confident	70 Å²	70	63.8 Å²	63.8	43%	0.429	31%	0.314	S	S	.	.	H	α-helix	trans	-60.6	-35.8	177.2	-60.8	0	0	0	0	111.7	R252 K253 T254 L260	R252-T256 PolarHBondContact O-N 2.92Å; R252-T256 PolarHBondContact O-OG1 3.1Å; K253-T256 PolarHBondContact O-N 3.13Å; T254-T256 PolarHBondContact O-N 3.38Å; T256-L260 WeakPolarHBondContact O-CB 3.15Å; T256-L260 PolarHBondContact O-N 3.49Å
257	T	85.9	Confident	84.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-77.3	-36.5	-176.9	-37.3	0	0	0	0	112.8	F65 H136 A140 K253 T254 M255 E259 L260 Q261	F65-T257 HydrophobicContact CE2-CG2 3.66Å; F65-T257 HydrophobicContact CZ-CG2 3.38Å; H136-T257 HydrophobicContact CB-CG2 3.89Å; H136-T257 PolarHBondContact CE1-OG1 3.44Å; H136-T257 WeakPolarHBondContact ND1-CG2 3.28Å; H136-T257 PolarHBondContact ND1-OG1 3.34Å; A140-T257 HydrophobicContact CB-CG2 3.03Å; K253-T257 WeakPolarHBondContact O-CB 3.41Å; K253-T257 PolarHBondContact O-N 3.45Å; K253-T257 PolarHBondContact O-OG1 3.26Å; T254-T257 PolarHBondContact O-N 3.33Å; T254-T257 VanDerWaalsContact O-N 3.13Å; M255-T257 PolarHBondContact O-N 2.87Å; T257-E259 VanDerWaalsContact C-N 3.31Å; T257-E259 PolarHBondContact O-N 2.67Å; T257-L260 PolarHBondContact O-N 3Å; T257-Q261 WeakPolarHBondContact O-CB 3.19Å; T257-Q261 PolarHBondContact O-N 2.73Å
258	V	84.1	Confident	85	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.012	33%	0.327	C	S	.	.	H	α-helix	trans	-61.1	-42.1	171.5	174.8	0	0	0	0	110.9	L143 T254 M255 L260 Q261 Q262 M270 L278	L143-V258 HydrophobicContact CB-CG2 4.21Å; T254-V258 WeakPolarHBondContact O-CG2 3.49Å; T254-V258 PolarHBondContact O-N 3.39Å; M255-V258 PolarHBondContact O-N 3.32Å; V258-L260 PolarHBondContact O-N 2.99Å; V258-Q261 PolarHBondContact O-N 3.37Å; V258-Q262 WeakPolarHBondContact O-CG 3.28Å; V258-Q262 PolarHBondContact O-N 3.3Å; V258-M270 HydrophobicContact CG1-CE 4.26Å; V258-L278 HydrophobicContact CB-CD2 4.31Å; V258-L278 HydrophobicContact CG1-CD2 3.72Å
259	E	85.7	Confident	85	Confident	57 Å²	57	70.9 Å²	70.9	27%	0.266	35%	0.346	S	S	.	.	H	α-helix	trans	-64	-39.2	175.7	-72.1	179.2	169.1	0	0	112.7	M255 T257 R263 M270 K275	M255-E259 WeakPolarHBondContact O-CG 3.14Å; M255-E259 PolarHBondContact O-N 3.39Å; M255-E259 VanDerWaalsContact O-N 3.15Å; T257-E259 VanDerWaalsContact C-N 3.31Å; T257-E259 PolarHBondContact O-N 2.67Å; E259-R263 PolarHBondContact O-N 2.66Å; E259-R263 VanDerWaalsContact O-N 3.17Å; E259-M270 HydrophobicContact CG-CE 3.62Å; E259-K275 WeakPolarHBondContact OE1-CD 3.27Å; E259-K275 WeakPolarHBondContact OE1-CE 3.41Å; E259-K275 IonicContact OE1-NZ 3.16Å; E259-K275 PolarHBondContact OE1-NZ 3.28Å; E259-K275 IonicContact OE2-NZ 3.38Å
260	L	87.3	Confident	85	Confident	27 Å²	27	63 Å²	63	14%	0.141	32%	0.318	C	S	.	.	H	α-helix	trans	-63.9	-45.3	175	178.8	61.3	0	0	0	111.2	F65 F69 T256 T257 V258 Q262 R263 L264	F65-L260 HydrophobicContact CE2-CD2 4.24Å; F65-L260 HydrophobicContact CE2-CG 4.33Å; F69-L260 HydrophobicContact CE2-CD2 3.93Å; F69-L260 HydrophobicContact CZ-CD2 3.52Å; T256-L260 WeakPolarHBondContact O-CB 3.15Å; T256-L260 PolarHBondContact O-N 3.49Å; T257-L260 PolarHBondContact O-N 3Å; V258-L260 PolarHBondContact O-N 2.99Å; L260-Q262 PolarHBondContact O-N 3.22Å; L260-R263 WeakPolarHBondContact O-CB 3.25Å; L260-R263 PolarHBondContact O-N 3.3Å; L260-L264 HydrophobicContact CD1-CD1 3.91Å; L260-L264 HydrophobicContact CD1-CG 4.1Å; L260-L264 HydrophobicContact CG-CD1 3.86Å; L260-L264 HydrophobicContact CG-CG 4.43Å; L260-L264 WeakPolarHBondContact O-CG 3.28Å; L260-L264 PolarHBondContact O-N 2.82Å
261	Q	84.3	Confident	85.3	Confident	23 Å²	23	70.3 Å²	70.3	11%	0.107	35%	0.348	C	S	.	.	H	α-helix	trans	-60.6	-43.4	178.6	-175.3	-179.9	-6.7	0	0	112.1	F65 A140 K141 T257 V258 R263 L264 T265	F65-Q261 HydrophobicContact CD2-CB 3.79Å; F65-Q261 HydrophobicContact CD2-CG 4.12Å; F65-Q261 HydrophobicContact CE2-CB 4.07Å; F65-Q261 HydrophobicContact CG-CG 4.45Å; A140-Q261 PolarHBondContact O-OE1 3.5Å; A140-Q261 VanDerWaalsContact O-OE1 3.14Å; K141-Q261 PolarHBondContact O-NE2 3.11Å; K141-Q261 PolarHBondContact O-OE1 3.23Å; T257-Q261 WeakPolarHBondContact O-CB 3.19Å; T257-Q261 PolarHBondContact O-N 2.73Å; V258-Q261 PolarHBondContact O-N 3.37Å; Q261-R263 VanDerWaalsContact C-N 3.35Å; Q261-R263 PolarHBondContact O-N 3.01Å; Q261-L264 PolarHBondContact O-N 2.83Å; Q261-T265 WeakPolarHBondContact O-CB 3.09Å; Q261-T265 WeakPolarHBondContact O-CG2 3.35Å; Q261-T265 PolarHBondContact O-N 3.25Å; Q261-T265 PolarHBondContact O-OG1 3.46Å
262	Q	84.4	Confident	85.6	Confident	28 Å²	28	74.5 Å²	74.5	13%	0.131	37%	0.369	C	S	.	.	H	α-helix	trans	-59.2	-46.3	175.1	-76.5	177.5	-15.2	0	0	112.1	V258 L260 L264 T265 G266 Q267 M270	V258-Q262 WeakPolarHBondContact O-CG 3.28Å; V258-Q262 PolarHBondContact O-N 3.3Å; L260-Q262 PolarHBondContact O-N 3.22Å; Q262-L264 VanDerWaalsContact C-N 3.34Å; Q262-L264 PolarHBondContact O-N 2.81Å; Q262-T265 WeakPolarHBondContact CA-OG1 3.43Å; Q262-T265 PolarHBondContact O-N 3.05Å; Q262-T265 PolarHBondContact O-OG1 3Å; Q262-T265 VanDerWaalsContact O-OG1 3.12Å; Q262-G266 PolarHBondContact O-N 3.18Å; Q262-Q267 HydrophobicContact CB-CB 4.1Å; Q262-Q267 HydrophobicContact CG-CB 4.33Å; Q262-Q267 PolarHBondContact O-N 2.8Å; Q262-M270 VanDerWaalsContact NE2-CG 3.27Å; Q262-M270 PolarHBondContact NE2-SD 3.38Å
263	R	87.9	Confident	85.7	Confident	187 Å²	187	70.6 Å²	70.6	71%	0.706	36%	0.359	S	S	*	.	H	α-helix	trans	-59.6	-45.2	178.5	-170.2	-171.6	-53.6	178.7	3.8	111.7	E259 L260 Q261 T265 G266	E259-R263 PolarHBondContact O-N 2.66Å; E259-R263 VanDerWaalsContact O-N 3.17Å; L260-R263 WeakPolarHBondContact O-CB 3.25Å; L260-R263 PolarHBondContact O-N 3.3Å; Q261-R263 VanDerWaalsContact C-N 3.35Å; Q261-R263 PolarHBondContact O-N 3.01Å; R263-T265 VanDerWaalsContact C-N 3.3Å; R263-T265 PolarHBondContact O-N 2.87Å; R263-G266 PolarHBondContact O-N 3.23Å
264	L	88.5	Confident	85.7	Confident	52 Å²	52	71.3 Å²	71.3	27%	0.272	37%	0.366	S	S	.	.	H	α-helix	trans	-72.1	-23.6	-178.4	-67.3	173.1	0	0	0	113.4	F65 H68 L260 Q261 Q262 G266	F65-L264 HydrophobicContact CD2-CD1 4Å; H68-L264 HydrophobicContact CB-CD1 3.57Å; H68-L264 HydrophobicContact CB-CD2 4.44Å; L260-L264 HydrophobicContact CD1-CD1 3.91Å; L260-L264 HydrophobicContact CD1-CG 4.1Å; L260-L264 HydrophobicContact CG-CD1 3.86Å; L260-L264 HydrophobicContact CG-CG 4.43Å; L260-L264 WeakPolarHBondContact O-CG 3.28Å; L260-L264 PolarHBondContact O-N 2.82Å; Q261-L264 PolarHBondContact O-N 2.83Å; Q262-L264 VanDerWaalsContact C-N 3.34Å; Q262-L264 PolarHBondContact O-N 2.81Å; L264-G266 VanDerWaalsContact C-N 3.32Å
265	T	83.1	Confident	85.9	Confident	74 Å²	74	73.9 Å²	73.9	45%	0.454	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	8.8	176.9	51.5	0	0	0	0	112.9	Q261 Q262 R263 Q267	Q261-T265 WeakPolarHBondContact O-CB 3.09Å; Q261-T265 WeakPolarHBondContact O-CG2 3.35Å; Q261-T265 PolarHBondContact O-N 3.25Å; Q261-T265 PolarHBondContact O-OG1 3.46Å; Q262-T265 WeakPolarHBondContact CA-OG1 3.43Å; Q262-T265 PolarHBondContact O-N 3.05Å; Q262-T265 PolarHBondContact O-OG1 3Å; Q262-T265 VanDerWaalsContact O-OG1 3.12Å; R263-T265 VanDerWaalsContact C-N 3.3Å; R263-T265 PolarHBondContact O-N 2.87Å; T265-Q267 PolarHBondContact O-N 3.42Å
266	G	84.7	Confident	86.1	Confident	69 Å²	69	81.6 Å²	81.6	71%	0.711	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	13.5	-179.2	0	0	0	0	0	113.9	Q262 R263 L264	Q262-G266 PolarHBondContact O-N 3.18Å; R263-G266 PolarHBondContact O-N 3.23Å; L264-G266 VanDerWaalsContact C-N 3.32Å
267	Q	82.6	Confident	86	Confident	75 Å²	75	83.3 Å²	83.3	35%	0.35	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-73.8	142.1	176.7	-65.6	-163.8	-18.4	0	0	110.4	Q262 T265	Q262-Q267 HydrophobicContact CB-CB 4.1Å; Q262-Q267 HydrophobicContact CG-CB 4.33Å; Q262-Q267 PolarHBondContact O-N 2.8Å; T265-Q267 PolarHBondContact O-N 3.42Å
268	P	84.3	Confident	85.9	Confident	114 Å²	114	83.5 Å²	83.5	74%	0.74	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-62.1	150.7	177.6	26.5	-34.2	0	0	0	110.7	M270	P268-M270 PolarHBondContact O-N 2.85Å
269	K	84.7	Confident	86.1	Confident	198 Å²	198	89.9 Å²	89.9	86%	0.861	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-55.3	131.4	176.8	-171.7	178.6	-179.3	-179.3	0	110	K271	K269-K271 PolarHBondContact O-N 3.27Å
270	M	85.6	Confident	86.1	Confident	26 Å²	26	89.8 Å²	89.8	13%	0.128	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-53.1	129.6	176.6	-85.4	179.7	-67.5	0	0	111.9	V258 E259 Q262 P268 T274 K275 L278	V258-M270 HydrophobicContact CG1-CE 4.26Å; E259-M270 HydrophobicContact CG-CE 3.62Å; Q262-M270 VanDerWaalsContact NE2-CG 3.27Å; Q262-M270 PolarHBondContact NE2-SD 3.38Å; P268-M270 PolarHBondContact O-N 2.85Å; M270-T274 HydrophobicContact CG-CG2 4.29Å; M270-T274 HydrophobicContact SD-CG2 4.44Å; M270-K275 HydrophobicContact CB-CB 4.34Å; M270-L278 HydrophobicContact CE-CD2 3.82Å; M270-L278 HydrophobicContact SD-CD2 3.68Å
271	K	88.7	Confident	85.9	Confident	168 Å²	168	89.4 Å²	89.4	73%	0.73	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-57.4	148	165.7	-64.2	-176.3	-179.3	-178.4	0	109.5	K269 E273 T274 K275	K269-K271 PolarHBondContact O-N 3.27Å; K271-E273 PolarHBondContact O-N 2.76Å; K271-T274 PolarHBondContact O-N 3.03Å; K271-T274 VanDerWaalsContact O-N 3.12Å; K271-K275 PolarHBondContact O-N 2.88Å
272	M	88.9	Confident	85.8	Confident	153 Å²	153	88.5 Å²	88.5	75%	0.754	44%	0.436	S	S	*	.	H	α-helix	trans	-56	-38.3	-177.6	-80	-64.7	-72.9	0	0	113	K275 R276	M272-K275 PolarHBondContact O-N 3.12Å; M272-R276 PolarHBondContact O-N 3.46Å
273	E	87.6	Confident	85.9	Confident	106 Å²	106	93.8 Å²	93.8	50%	0.495	46%	0.458	S	S	.	.	H	α-helix	trans	-64	-47	177.3	-165.7	-165.5	154	0	0	112.2	K271 K275 R276 K277	K271-E273 PolarHBondContact O-N 2.76Å; E273-K275 VanDerWaalsContact C-N 3.32Å; E273-K275 PolarHBondContact O-N 3.27Å; E273-R276 WeakPolarHBondContact O-CB 3.48Å; E273-R276 PolarHBondContact O-N 2.92Å; E273-K277 PolarHBondContact O-N 3.34Å; E273-K277 WeakPolarHBondContact OE1-CE 3.49Å; E273-K277 IonicContact OE1-NZ 3.89Å; E273-K277 PolarHBondContact OE1-NZ 3.11Å
274	T	85.2	Confident	85.8	Confident	50 Å²	50	88.8 Å²	88.8	31%	0.307	44%	0.444	S	S	.	.	H	α-helix	trans	-60.3	-43.3	175.5	-49.4	0	0	0	0	111	F147 M270 K271 R276 K277 L278	F147-T274 HydrophobicContact CE1-CG2 3.79Å; F147-T274 HydrophobicContact CZ-CG2 4.13Å; M270-T274 HydrophobicContact CG-CG2 4.29Å; M270-T274 HydrophobicContact SD-CG2 4.44Å; K271-T274 PolarHBondContact O-N 3.03Å; K271-T274 VanDerWaalsContact O-N 3.12Å; T274-R276 VanDerWaalsContact C-N 3.31Å; T274-R276 PolarHBondContact O-N 2.85Å; T274-K277 PolarHBondContact O-N 2.87Å; T274-L278 WeakPolarHBondContact O-CB 3.23Å; T274-L278 PolarHBondContact O-N 3.4Å
275	K	87.3	Confident	85.5	Confident	57 Å²	57	86.7 Å²	86.7	25%	0.248	43%	0.434	C	S	.	.	H	α-helix	trans	-61.8	-37.5	176.5	-178.1	169.9	173.6	163	0	112.1	M255 E259 M270 K271 M272 E273 R279	M255-K275 HydrophobicContact CE-CG 4.23Å; E259-K275 WeakPolarHBondContact OE1-CD 3.27Å; E259-K275 WeakPolarHBondContact OE1-CE 3.41Å; E259-K275 IonicContact OE1-NZ 3.16Å; E259-K275 PolarHBondContact OE1-NZ 3.28Å; E259-K275 IonicContact OE2-NZ 3.38Å; M270-K275 HydrophobicContact CB-CB 4.34Å; K271-K275 PolarHBondContact O-N 2.88Å; M272-K275 PolarHBondContact O-N 3.12Å; E273-K275 VanDerWaalsContact C-N 3.32Å; E273-K275 PolarHBondContact O-N 3.27Å; K275-R279 WeakPolarHBondContact O-CB 3.26Å; K275-R279 PolarHBondContact O-N 3.48Å
276	R	88.9	Confident	85.6	Confident	177 Å²	177	84 Å²	84	67%	0.668	42%	0.417	S	S	*	.	H	α-helix	trans	-66.2	-45.7	174.7	-174.2	178.1	66.3	161.6	-0.6	111.5	M272 E273 T274 R279 A280	M272-R276 PolarHBondContact O-N 3.46Å; E273-R276 WeakPolarHBondContact O-CB 3.48Å; E273-R276 PolarHBondContact O-N 2.92Å; T274-R276 VanDerWaalsContact C-N 3.31Å; T274-R276 PolarHBondContact O-N 2.85Å; R276-R279 PolarHBondContact O-N 3.43Å; R276-A280 PolarHBondContact O-N 3Å; R276-A280 VanDerWaalsContact O-N 3.15Å
277	K	86.1	Confident	85.7	Confident	106 Å²	106	87.8 Å²	87.8	46%	0.461	41%	0.413	S	S	.	.	H	α-helix	trans	-60.8	-47	176	-70	178.7	-175.1	170.5	0	111.3	F147 E273 T274 R279 A280 V281	F147-K277 HydrophobicContact CE2-CB 4.12Å; F147-K277 HydrophobicContact CZ-CB 4.01Å; E273-K277 PolarHBondContact O-N 3.34Å; E273-K277 WeakPolarHBondContact OE1-CE 3.49Å; E273-K277 IonicContact OE1-NZ 3.89Å; E273-K277 PolarHBondContact OE1-NZ 3.11Å; T274-K277 PolarHBondContact O-N 2.87Å; K277-R279 VanDerWaalsContact C-N 3.33Å; K277-R279 PolarHBondContact O-N 3.32Å; K277-A280 WeakPolarHBondContact O-CB 3.5Å; K277-A280 PolarHBondContact O-N 3.3Å; K277-A280 VanDerWaalsContact O-N 3.14Å; K277-V281 PolarHBondContact O-N 3.1Å
278	L	84.1	Confident	85.8	Confident	4 Å²	4	85.5 Å²	85.5	2%	0.021	40%	0.403	C	S	.	.	H	α-helix	trans	-58.7	-44.2	176.5	178.4	64.5	0	0	0	111.8	F147 M255 V258 M270 T274 A280 V281 V282	F147-L278 HydrophobicContact CB-CD1 4.23Å; F147-L278 HydrophobicContact CD2-CB 4.29Å; F147-L278 HydrophobicContact CD2-CD1 3.8Å; F147-L278 HydrophobicContact CE2-CB 4.16Å; F147-L278 HydrophobicContact CE2-CD1 4.49Å; F147-L278 HydrophobicContact CG-CD1 4.15Å; M255-L278 HydrophobicContact CE-CB 4.42Å; M255-L278 HydrophobicContact CE-CD2 3.86Å; M255-L278 HydrophobicContact CE-CG 4.05Å; M255-L278 HydrophobicContact SD-CD2 4.14Å; M255-L278 HydrophobicContact SD-CG 3.98Å; V258-L278 HydrophobicContact CB-CD2 4.31Å; V258-L278 HydrophobicContact CG1-CD2 3.72Å; M270-L278 HydrophobicContact CE-CD2 3.82Å; M270-L278 HydrophobicContact SD-CD2 3.68Å; T274-L278 WeakPolarHBondContact O-CB 3.23Å; T274-L278 PolarHBondContact O-N 3.4Å; L278-A280 VanDerWaalsContact C-N 3.27Å; L278-A280 PolarHBondContact O-N 3.23Å; L278-V281 PolarHBondContact O-N 2.94Å; L278-V282 HydrophobicContact CD1-CG2 3.98Å; L278-V282 HydrophobicContact CG-CG2 4.2Å; L278-V282 WeakPolarHBondContact O-CB 3.39Å; L278-V282 VanDerWaalsContact O-CG2 3.32Å; L278-V282 WeakPolarHBondContact O-CG2 3.27Å; L278-V282 PolarHBondContact O-N 2.89Å
279	R	87.3	Confident	86	Confident	136 Å²	136	81.2 Å²	81.2	51%	0.513	37%	0.373	S	S	.	.	H	α-helix	trans	-59.2	-39.5	177.3	-175.2	-177.3	-68.6	-176.7	-3	112	M255 K275 R276 K277 K283	M255-R279 HydrophobicContact CE-CB 4.19Å; M255-R279 HydrophobicContact SD-CB 4.28Å; K275-R279 WeakPolarHBondContact O-CB 3.26Å; K275-R279 PolarHBondContact O-N 3.48Å; R276-R279 PolarHBondContact O-N 3.43Å; K277-R279 VanDerWaalsContact C-N 3.33Å; K277-R279 PolarHBondContact O-N 3.32Å; R279-K283 WeakPolarHBondContact O-CB 3.11Å; R279-K283 PolarHBondContact O-N 2.81Å
280	A	86.5	Confident	86.1	Confident	55 Å²	55	73.2 Å²	73.2	46%	0.455	34%	0.34	S	S	.	.	H	α-helix	trans	-65.3	-46.7	176.8	0	0	0	0	0	111.5	R276 K277 L278 K283 M284	R276-A280 PolarHBondContact O-N 3Å; R276-A280 VanDerWaalsContact O-N 3.15Å; K277-A280 WeakPolarHBondContact O-CB 3.5Å; K277-A280 PolarHBondContact O-N 3.3Å; K277-A280 VanDerWaalsContact O-N 3.14Å; L278-A280 VanDerWaalsContact C-N 3.27Å; L278-A280 PolarHBondContact O-N 3.23Å; A280-K283 WeakPolarHBondContact O-CB 3.39Å; A280-K283 PolarHBondContact O-N 2.75Å; A280-M284 WeakPolarHBondContact O-CG 3.34Å; A280-M284 PolarHBondContact O-N 3.19Å
281	V	82.8	Confident	86.2	Confident	20 Å²	20	74.3 Å²	74.3	12%	0.121	35%	0.345	C	S	.	.	H	α-helix	trans	-60	-48.3	176.3	174.2	0	0	0	0	111.2	F147 Y156 K277 L278 K283 M284 A285	F147-V281 HydrophobicContact CD2-CG2 4.43Å; F147-V281 HydrophobicContact CE2-CG2 4.35Å; Y156-V281 HydrophobicContact CD1-CG1 4.08Å; Y156-V281 HydrophobicContact CE1-CG1 4.11Å; K277-V281 PolarHBondContact O-N 3.1Å; L278-V281 PolarHBondContact O-N 2.94Å; V281-K283 VanDerWaalsContact C-N 3.3Å; V281-K283 PolarHBondContact O-N 3.47Å; V281-M284 PolarHBondContact O-N 3.11Å; V281-A285 WeakPolarHBondContact O-CB 3.28Å; V281-A285 PolarHBondContact O-N 2.73Å
282	V	83.5	Confident	86.1	Confident	4 Å²	4	69 Å²	69	2%	0.024	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-40.2	178	170.3	0	0	0	0	111.2	M251 T254 M255 L278 I286	M251-V282 HydrophobicContact CG-CG1 4.13Å; T254-V282 HydrophobicContact CG2-CB 4.5Å; T254-V282 HydrophobicContact CG2-CG1 3.65Å; T254-V282 HydrophobicContact CG2-CG2 3.95Å; M255-V282 HydrophobicContact SD-CB 4.21Å; M255-V282 HydrophobicContact SD-CG1 4.47Å; M255-V282 HydrophobicContact SD-CG2 3.93Å; L278-V282 HydrophobicContact CD1-CG2 3.98Å; L278-V282 HydrophobicContact CG-CG2 4.2Å; L278-V282 WeakPolarHBondContact O-CB 3.39Å; L278-V282 VanDerWaalsContact O-CG2 3.32Å; L278-V282 WeakPolarHBondContact O-CG2 3.27Å; L278-V282 PolarHBondContact O-N 2.89Å; V282-I286 HydrophobicContact CG1-CD1 3.71Å; V282-I286 HydrophobicContact CG1-CG1 4.37Å; V282-I286 WeakPolarHBondContact O-CB 3.47Å; V282-I286 VanDerWaalsContact O-CG1 3.27Å; V282-I286 WeakPolarHBondContact O-CG1 3.46Å; V282-I286 PolarHBondContact O-N 3.37Å
283	K	86.6	Confident	86.1	Confident	138 Å²	138	61.8 Å²	61.8	60%	0.6	29%	0.288	S	S	*	.	H	α-helix	trans	-61	-45.4	176.4	-178	-178.2	177.7	-175.3	0	111.3	R279 A280 V281 K287	R279-K283 WeakPolarHBondContact O-CB 3.11Å; R279-K283 PolarHBondContact O-N 2.81Å; A280-K283 WeakPolarHBondContact O-CB 3.39Å; A280-K283 PolarHBondContact O-N 2.75Å; V281-K283 VanDerWaalsContact C-N 3.3Å; V281-K283 PolarHBondContact O-N 3.47Å; K283-K287 PolarHBondContact O-N 3.33Å
284	M	85.1	Confident	86.1	Confident	83 Å²	83	57.6 Å²	57.6	41%	0.409	27%	0.268	S	S	.	.	H	α-helix	trans	-68.6	-44.3	179.3	-65.4	-59	-67.3	0	0	112	Y156 A280 V281 I286 K287 E288	Y156-M284 HydrophobicContact CD2-CB 3.71Å; Y156-M284 HydrophobicContact CE1-CB 4.16Å; Y156-M284 HydrophobicContact CE2-CB 3.28Å; Y156-M284 HydrophobicContact CE2-CE 4.19Å; Y156-M284 HydrophobicContact CE2-CG 4.02Å; Y156-M284 HydrophobicContact CG-CB 4.31Å; A280-M284 WeakPolarHBondContact O-CG 3.34Å; A280-M284 PolarHBondContact O-N 3.19Å; V281-M284 PolarHBondContact O-N 3.11Å; M284-I286 VanDerWaalsContact C-N 3.31Å; M284-I286 PolarHBondContact O-N 2.68Å; M284-K287 WeakPolarHBondContact O-CB 3.34Å; M284-K287 PolarHBondContact O-N 3.37Å; M284-K287 VanDerWaalsContact O-N 3.11Å; M284-E288 PolarHBondContact O-N 2.92Å
285	A	83	Confident	86.3	Confident	7 Å²	7	58.1 Å²	58.1	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-39.6	176.1	0	0	0	0	0	112.5	Y156 L180 V281 E288 F289	Y156-A285 HydrophobicContact CG-CB 4.37Å; L180-A285 HydrophobicContact CD1-CB 3.53Å; V281-A285 WeakPolarHBondContact O-CB 3.28Å; V281-A285 PolarHBondContact O-N 2.73Å; A285-E288 PolarHBondContact O-N 2.76Å; A285-F289 VanDerWaalsContact O-CB 3.23Å; A285-F289 WeakPolarHBondContact O-CB 3.29Å; A285-F289 PolarHBondContact O-N 2.99Å
286	I	85.1	Confident	86.6	Confident	19 Å²	19	55.9 Å²	55.9	10%	0.097	26%	0.261	C	S	.	.	H	α-helix	trans	-68.2	-39.8	175.1	-72.3	172	0	0	0	111.3	P247 L250 M251 V282 M284 E288 F289 V290	P247-I286 HydrophobicContact CB-CG2 4.19Å; L250-I286 HydrophobicContact CB-CD1 4.38Å; L250-I286 HydrophobicContact CD2-CD1 4.31Å; L250-I286 HydrophobicContact CD2-CG1 4.12Å; L250-I286 HydrophobicContact CD2-CG2 4.3Å; L250-I286 HydrophobicContact CG-CD1 4.13Å; L250-I286 HydrophobicContact CG-CG1 4.45Å; M251-I286 HydrophobicContact CB-CD1 3.6Å; M251-I286 HydrophobicContact CG-CD1 4.16Å; V282-I286 HydrophobicContact CG1-CD1 3.71Å; V282-I286 HydrophobicContact CG1-CG1 4.37Å; V282-I286 WeakPolarHBondContact O-CB 3.47Å; V282-I286 VanDerWaalsContact O-CG1 3.27Å; V282-I286 WeakPolarHBondContact O-CG1 3.46Å; V282-I286 PolarHBondContact O-N 3.37Å; M284-I286 VanDerWaalsContact C-N 3.31Å; M284-I286 PolarHBondContact O-N 2.68Å; I286-E288 VanDerWaalsContact C-N 3.33Å; I286-E288 PolarHBondContact O-N 3.1Å; I286-F289 PolarHBondContact O-N 3.13Å; I286-V290 HydrophobicContact CG2-CG2 4.28Å; I286-V290 VanDerWaalsContact O-CG2 3.25Å; I286-V290 WeakPolarHBondContact O-CG2 3.34Å; I286-V290 PolarHBondContact O-N 3.45Å
287	K	86.1	Confident	87	Confident	147 Å²	147	47.6 Å²	47.6	64%	0.639	23%	0.23	S	C	*	.	H	α-helix	trans	-59.8	-46.8	175.7	-176.3	-176.2	175.9	-172.7	0	110.8	K283 M284 V290 H291	K283-K287 PolarHBondContact O-N 3.33Å; M284-K287 WeakPolarHBondContact O-CB 3.34Å; M284-K287 PolarHBondContact O-N 3.37Å; M284-K287 VanDerWaalsContact O-N 3.11Å; K287-V290 PolarHBondContact O-N 3.15Å; K287-H291 WeakPolarHBondContact O-CB 3.04Å; K287-H291 PolarHBondContact O-N 3.43Å
288	E	85.1	Confident	87.4	Confident	27 Å²	27	43.3 Å²	43.3	13%	0.126	21%	0.213	C	C	.	.	H	α-helix	trans	-65.1	-39.6	176.7	-172.4	175.6	153.2	0	0	112.3	H155 Y156 L157 M284 A285 I286 H291 M292	H155-E288 IonicContact ND1-OE1 2.98Å; Y156-E288 WeakPolarHBondContact CA-OE2 3.37Å; Y156-E288 VanDerWaalsContact CB-OE2 3.31Å; Y156-E288 WeakPolarHBondContact CB-OE2 3.38Å; Y156-E288 WeakPolarHBondContact CD2-OE2 3.47Å; Y156-E288 PolarHBondContact N-OE1 3.43Å; Y156-E288 PolarHBondContact N-OE2 2.99Å; L157-E288 HydrophobicContact CD1-CB 4.45Å; L157-E288 HydrophobicContact CD1-CG 4.06Å; L157-E288 HydrophobicContact CG-CB 4.47Å; L157-E288 HydrophobicContact CG-CG 4.08Å; L157-E288 PolarHBondContact N-OE1 3.03Å; M284-E288 PolarHBondContact O-N 2.92Å; A285-E288 PolarHBondContact O-N 2.76Å; I286-E288 VanDerWaalsContact C-N 3.33Å; I286-E288 PolarHBondContact O-N 3.1Å; E288-H291 PolarHBondContact O-N 3.47Å; E288-M292 WeakPolarHBondContact O-CB 3.41Å; E288-M292 PolarHBondContact O-N 3.01Å
289	F	87.5	Confident	88	Confident	25 Å²	25	45.2 Å²	45.2	11%	0.11	22%	0.223	C	C	.	.	H	α-helix	trans	-61	-47.2	175.1	175.4	-84	0	0	0	112.3	L157 I186 M190 F241 L250 A285 I286 H291 M292 Y293 M294	L157-F289 HydrophobicContact CD1-CB 4Å; L157-F289 HydrophobicContact CD1-CD2 4.48Å; I186-F289 HydrophobicContact CG2-CD2 4.38Å; I186-F289 HydrophobicContact CG2-CE2 3.71Å; M190-F289 HydrophobicContact SD-CZ 4.27Å; F241-F289 HydrophobicContact CD1-CE1 4.26Å; F241-F289 HydrophobicContact CD1-CZ 4.03Å; F241-F289 AromaticContact CE1-CE1 3.52Å; F241-F289 HydrophobicContact CE1-CE1 3.52Å; F241-F289 AromaticContact CE1-CZ 3.33Å; F241-F289 HydrophobicContact CE1-CZ 3.33Å; F241-F289 HydrophobicContact CZ-CE1 4.32Å; F241-F289 AromaticContact CZ-CZ 3.86Å; F241-F289 HydrophobicContact CZ-CZ 3.86Å; L250-F289 HydrophobicContact CD2-CD1 4.47Å; A285-F289 VanDerWaalsContact O-CB 3.23Å; A285-F289 WeakPolarHBondContact O-CB 3.29Å; A285-F289 PolarHBondContact O-N 2.99Å; I286-F289 PolarHBondContact O-N 3.13Å; F289-H291 VanDerWaalsContact C-N 3.33Å; F289-M292 PolarHBondContact O-N 3.35Å; F289-Y293 AromaticContact CD2-CD2 3.83Å; F289-Y293 HydrophobicContact CD2-CD2 3.83Å; F289-Y293 HydrophobicContact CD2-CE2 4.49Å; F289-Y293 HydrophobicContact CD2-CG 4.41Å; F289-Y293 HydrophobicContact CE2-CD2 4.04Å; F289-Y293 HydrophobicContact CE2-CG 4.19Å; F289-Y293 HydrophobicContact CG-CD2 4.42Å; F289-Y293 WeakPolarHBondContact O-CB 3.13Å; F289-Y293 PolarHBondContact O-N 3.47Å; F289-M294 HydrophobicContact CE1-CE 4.2Å; F289-M294 HydrophobicContact CE1-CG 4.43Å
290	V	87.2	Confident	88.5	Confident	29 Å²	29	39.1 Å²	39.1	18%	0.176	20%	0.2	C	C	.	.	I	π-helix	trans	-59	-50	176.1	170.5	0	0	0	0	109.1	P247 I286 K287 M292 M294 D295	P247-V290 HydrophobicContact CB-CG2 4.03Å; P247-V290 HydrophobicContact CG-CG2 3.75Å; I286-V290 HydrophobicContact CG2-CG2 4.28Å; I286-V290 VanDerWaalsContact O-CG2 3.25Å; I286-V290 WeakPolarHBondContact O-CG2 3.34Å; I286-V290 PolarHBondContact O-N 3.45Å; K287-V290 PolarHBondContact O-N 3.15Å; V290-M292 PolarHBondContact O-N 2.73Å; V290-M294 HydrophobicContact CB-SD 4.31Å; V290-M294 HydrophobicContact CG1-CB 4.21Å; V290-M294 HydrophobicContact CG1-SD 4.2Å; V290-M294 HydrophobicContact CG2-SD 3.86Å; V290-M294 CarbonylContact O-C 3.6Å; V290-M294 WeakPolarHBondContact O-CA 3.41Å; V290-M294 WeakPolarHBondContact O-CB 3.43Å; V290-M294 PolarHBondContact O-N 2.85Å; V290-D295 PolarHBondContact O-N 2.69Å
291	H	87.8	Confident	89	Confident	50 Å²	50	37.5 Å²	37.5	23%	0.231	19%	0.186	C	C	.	.	I	π-helix	trans	-57.2	-51	178.8	179.8	50.6	0	0	0	112.7	K287 E288 F289 D295 C296 N426	K287-H291 WeakPolarHBondContact O-CB 3.04Å; K287-H291 PolarHBondContact O-N 3.43Å; E288-H291 PolarHBondContact O-N 3.47Å; F289-H291 VanDerWaalsContact C-N 3.33Å; H291-D295 WeakPolarHBondContact CA-OD2 3.44Å; H291-D295 WeakPolarHBondContact O-CB 3.27Å; H291-D295 PolarHBondContact O-N 3.33Å; H291-C296 PolarHBondContact O-N 2.92Å; H291-C296 PolarHBondContact O-SG 3.06Å; H291-N426 WeakPolarHBondContact CE1-CB 3.27Å
292	M	87.1	Confident	89.7	Confident	55 Å²	55	38.8 Å²	38.8	27%	0.271	19%	0.188	S	C	.	.	I	π-helix	trans	-75.9	-35.5	-173.2	-174.3	-178.5	-64.8	0	0	114.2	L157 R238 E288 F289 V290 C296	L157-M292 HydrophobicContact CB-CE 4.49Å; L157-M292 HydrophobicContact CD1-SD 4.25Å; R238-M292 PolarHBondContact NH1-O 3.29Å; E288-M292 WeakPolarHBondContact O-CB 3.41Å; E288-M292 PolarHBondContact O-N 3.01Å; F289-M292 PolarHBondContact O-N 3.35Å; V290-M292 PolarHBondContact O-N 2.73Å; M292-C296 WeakPolarHBondContact O-CB 3.48Å
293	Y	88.5	Confident	90.3	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.008	20%	0.202	C	C	.	.	I	π-helix	trans	-114.1	-15.8	-171.1	-65.8	-84.7	0	0	0	114	L157 I183 I186 M190 F289	L157-Y293 HydrophobicContact CD1-CD2 4.13Å; L157-Y293 HydrophobicContact CD1-CE2 3.73Å; I183-Y293 WeakPolarHBondContact CG1-OH 3.28Å; I183-Y293 HydrophobicContact CG2-CE1 4.35Å; I186-Y293 HydrophobicContact CB-CE1 4.24Å; I186-Y293 HydrophobicContact CB-CE2 4.5Å; I186-Y293 HydrophobicContact CD1-CD2 4.38Å; I186-Y293 HydrophobicContact CD1-CE2 3.47Å; I186-Y293 VanDerWaalsContact CD1-CE2 3.47Å; I186-Y293 WeakPolarHBondContact CD1-OH 3.33Å; I186-Y293 HydrophobicContact CG1-CE2 4.5Å; I186-Y293 HydrophobicContact CG2-CD1 3.74Å; I186-Y293 HydrophobicContact CG2-CD2 4.09Å; I186-Y293 HydrophobicContact CG2-CE1 3.49Å; I186-Y293 VanDerWaalsContact CG2-CE1 3.49Å; I186-Y293 HydrophobicContact CG2-CE2 3.9Å; I186-Y293 HydrophobicContact CG2-CG 4.02Å; M190-Y293 HydrophobicContact CE-CD1 3.77Å; M190-Y293 HydrophobicContact CE-CE1 4.28Å; F289-Y293 AromaticContact CD2-CD2 3.83Å; F289-Y293 HydrophobicContact CD2-CD2 3.83Å; F289-Y293 HydrophobicContact CD2-CE2 4.49Å; F289-Y293 HydrophobicContact CD2-CG 4.41Å; F289-Y293 HydrophobicContact CE2-CD2 4.04Å; F289-Y293 HydrophobicContact CE2-CG 4.19Å; F289-Y293 HydrophobicContact CG-CD2 4.42Å; F289-Y293 WeakPolarHBondContact O-CB 3.13Å; F289-Y293 PolarHBondContact O-N 3.47Å
294	M	87.5	Confident	90.8	Very high	18 Å²	18	34.4 Å²	34.4	9%	0.089	17%	0.174	C	C	.	.	I	π-helix	trans	-106.8	-34	173.7	-55.8	-175.6	153.8	0	0	112.6	F241 K242 V245 F289 V290	F241-M294 HydrophobicContact CD1-CE 3.98Å; F241-M294 HydrophobicContact CE1-CE 4.02Å; K242-M294 VanDerWaalsContact CE-C 3.49Å; K242-M294 WeakPolarHBondContact CE-O 3.3Å; K242-M294 HydrophobicContact CG-CB 4.17Å; K242-M294 HydrophobicContact CG-CG 4.06Å; K242-M294 PolarHBondContact NZ-O 2.92Å; V245-M294 HydrophobicContact CB-CE 3.6Å; V245-M294 HydrophobicContact CG1-CE 3.63Å; F289-M294 HydrophobicContact CE1-CE 4.2Å; F289-M294 HydrophobicContact CE1-CG 4.43Å; V290-M294 HydrophobicContact CB-SD 4.31Å; V290-M294 HydrophobicContact CG1-CB 4.21Å; V290-M294 HydrophobicContact CG1-SD 4.2Å; V290-M294 HydrophobicContact CG2-SD 3.86Å; V290-M294 CarbonylContact O-C 3.6Å; V290-M294 WeakPolarHBondContact O-CA 3.41Å; V290-M294 WeakPolarHBondContact O-CB 3.43Å; V290-M294 PolarHBondContact O-N 2.85Å
295	D	89.8	Confident	91.4	Very high	62 Å²	62	30.5 Å²	30.5	33%	0.332	16%	0.155	S	C	.	.	I	π-helix	trans	-97.9	-42	-176.9	-52.9	-27.4	0	0	0	111.4	V290 H291	V290-D295 PolarHBondContact O-N 2.69Å; H291-D295 WeakPolarHBondContact CA-OD2 3.44Å; H291-D295 WeakPolarHBondContact O-CB 3.27Å; H291-D295 PolarHBondContact O-N 3.33Å
296	C	93.9	Very high	92.1	Very high	10 Å²	10	31.7 Å²	31.7	7%	0.068	17%	0.168	C	C	.	.	S	Bend	trans	-81.3	145	-179.7	-65.1	0	0	0	0	113.6	R238 H291 M292 C423	R238-C296 PolarHBondContact NH1-O 3.03Å; H291-C296 PolarHBondContact O-N 2.92Å; H291-C296 PolarHBondContact O-SG 3.06Å; M292-C296 WeakPolarHBondContact O-CB 3.48Å; C296-C423 HydrophobicContact CB-CB 3.76Å; C296-C423 WeakPolarHBondContact CB-SG 3.46Å; C296-C423 WeakPolarHBondContact SG-CB 3.46Å; C296-C423 CovalentContact SG-SG 2.03Å; C296-C423 PolarHBondContact SG-SG 2.94Å
297	P	95.7	Very high	92.7	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.019	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-69.8	159.4	175.9	31.8	-34.2	0	0	0	110.5	R238 I299 I374 L415 Q419 L420	R238-P297 VanDerWaalsContact NH1-C 3.26Å; R238-P297 PolarHBondContact NH1-O 3.05Å; P297-I299 HydrophobicContact CG-CG1 4.34Å; P297-I299 PolarHBondContact O-N 2.85Å; P297-I374 HydrophobicContact CB-CG1 3.99Å; P297-I374 HydrophobicContact CG-CG1 4.09Å; P297-L415 HydrophobicContact CB-CD2 3.92Å; P297-Q419 HydrophobicContact CB-CB 3.94Å; P297-Q419 HydrophobicContact CG-CB 4.21Å; P297-L420 HydrophobicContact CG-CB 4.01Å; P297-L420 HydrophobicContact CG-CD1 3.76Å
298	P	94.8	Very high	93.2	Very high	15 Å²	15	30.5 Å²	30.5	10%	0.097	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-70	123.2	169.6	32.4	-33.9	0	0	0	109.8	Y373 I374	P298-Y373 HydrophobicContact CB-CD1 3.57Å; P298-Y373 HydrophobicContact CB-CE1 3.54Å; P298-Y373 HydrophobicContact CG-CD1 3.71Å; P298-Y373 HydrophobicContact CG-CE1 3.85Å; P298-I374 PolarHBondContact O-N 3.28Å
299	I	97.3	Very high	93.8	Very high	45 Å²	45	33.7 Å²	33.7	23%	0.231	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.1	-178.8	-58.4	174	0	0	0	109	P297 F366 I374 E376 W380 L420	P297-I299 HydrophobicContact CG-CG1 4.34Å; P297-I299 PolarHBondContact O-N 2.85Å; I299-F366 HydrophobicContact CD1-CE1 4.22Å; I299-F366 HydrophobicContact CG2-CE1 4.42Å; I299-I374 CarbonylContact C-O 3.58Å; I299-I374 WeakPolarHBondContact CA-O 3.33Å; I299-I374 HydrophobicContact CG1-CB 4.16Å; I299-I374 HydrophobicContact CG1-CG2 4.32Å; I299-E376 HydrophobicContact CG2-CB 3.97Å; I299-W380 HydrophobicContact CD1-CZ2 3.7Å; I299-L420 HydrophobicContact CD1-CD1 4.21Å
300	I	97.9	Very high	94.2	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.036	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	118.6	169.4	-59.1	-61.4	0	0	0	108.1	T111 M304 W305 F339 Y373 I374 Y375 E376	T111-I300 HydrophobicContact CG2-CD1 4.45Å; I300-M304 HydrophobicContact CG2-CB 3.74Å; I300-W305 HydrophobicContact CG2-CB 4.28Å; I300-F339 HydrophobicContact CG2-CE2 3.93Å; I300-Y373 HydrophobicContact CD1-CD1 3.82Å; I300-Y373 HydrophobicContact CD1-CE1 4.27Å; I300-Y373 HydrophobicContact CD1-CG 4.21Å; I300-Y373 HydrophobicContact CG1-CD1 3.98Å; I300-Y373 HydrophobicContact CG1-CG 4.04Å; I300-I374 PolarHBondContact N-O 2.83Å; I300-Y375 HydrophobicContact CB-CD1 3.83Å; I300-Y375 HydrophobicContact CB-CE1 3.89Å; I300-Y375 HydrophobicContact CB-CG 4.34Å; I300-Y375 HydrophobicContact CG1-CD1 4.4Å; I300-Y375 HydrophobicContact CG1-CE1 4.05Å; I300-Y375 HydrophobicContact CG2-CD1 3.87Å; I300-Y375 HydrophobicContact CG2-CE1 3.78Å; I300-E376 WeakPolarHBondContact O-CB 3.44Å; I300-E376 PolarHBondContact O-N 2.78Å
301	S	96.7	Very high	94.7	Very high	22 Å²	22	38.1 Å²	38.1	15%	0.154	20%	0.204	C	C	.	.			trans	-70.9	160.2	-177.8	69.2	0	0	0	0	112.3	C303 M304 W305 E376	S301-C303 VanDerWaalsContact C-N 3.31Å; S301-C303 PolarHBondContact O-N 3.42Å; S301-C303 PolarHBondContact OG-SG 2.98Å; S301-C303 VanDerWaalsContact OG-SG 3.35Å; S301-M304 PolarHBondContact O-N 2.88Å; S301-M304 WeakPolarHBondContact OG-CG 3.3Å; S301-W305 PolarHBondContact O-N 3.28Å; S301-E376 WeakPolarHBondContact CA-OE2 3.34Å
302	R	97.5	Very high	95	Very high	47 Å²	47	38.7 Å²	38.7	18%	0.177	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-47.2	177.8	-70.4	-176.1	66.3	86.2	-1.9	114.6	M304 W305 G306 A307 E308 Q350 D361 E376 G377	R302-M304 VanDerWaalsContact C-N 3.29Å; R302-M304 PolarHBondContact O-N 3.15Å; R302-W305 HydrophobicContact CG-CZ2 4.22Å; R302-G306 PolarHBondContact O-N 3.32Å; R302-A307 HydrophobicContact CB-CB 3.78Å; R302-A307 HydrophobicContact CG-CB 4.35Å; R302-A307 WeakPolarHBondContact O-CB 3.4Å; R302-A307 PolarHBondContact O-N 3.41Å; R302-E308 PolarHBondContact NH2-O 2.86Å; R302-Q350 VanDerWaalsContact NH2-NE2 3.12Å; R302-D361 IonicContact CZ-OD1 2.97Å; R302-D361 IonicContact CZ-OD2 2.65Å; R302-D361 IonicContact NH1-OD1 3.38Å; R302-D361 PolarHBondContact NH1-OD1 3.02Å; R302-D361 IonicContact NH1-OD2 3.87Å; R302-D361 PolarHBondContact NH1-OD2 3.16Å; R302-D361 VanDerWaalsContact NH2-CG 3.29Å; R302-D361 IonicContact NH2-OD1 3.82Å; R302-D361 PolarHBondContact NH2-OD1 3.38Å; R302-D361 IonicContact NH2-OD2 3.58Å; R302-D361 PolarHBondContact NH2-OD2 2.81Å; R302-D361 VanDerWaalsContact NH2-OD2 3.12Å; R302-E376 HydrophobicContact CG-CB 4.25Å; R302-E376 HydrophobicContact CG-CG 3.95Å; R302-E376 PolarHBondContact N-OE2 2.75Å; R302-G377 WeakPolarHBondContact CD-O 3.21Å; R302-G377 PolarHBondContact NH1-O 3.15Å
303	C	95.9	Very high	95.5	Very high	45 Å²	45	42 Å²	42	30%	0.304	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-30.9	-177.5	64	0	0	0	0	112.7	C162 S301 G306	C162-C303 HydrophobicContact CB-CB 3.69Å; C162-C303 WeakPolarHBondContact CB-SG 3.28Å; C162-C303 WeakPolarHBondContact SG-CB 3.46Å; C162-C303 CovalentContact SG-SG 2.02Å; C162-C303 PolarHBondContact SG-SG 3.12Å; S301-C303 VanDerWaalsContact C-N 3.31Å; S301-C303 PolarHBondContact O-N 3.42Å; S301-C303 PolarHBondContact OG-SG 2.98Å; S301-C303 VanDerWaalsContact OG-SG 3.35Å; C303-G306 PolarHBondContact O-N 3.48Å
304	M	96.8	Very high	95.8	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.025	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-40.6	-178	-68.7	-60.5	-61.6	0	0	111.7	L106 G110 V166 I300 S301 R302 G306 F339	L106-M304 HydrophobicContact CD1-CE 3.63Å; G110-M304 VanDerWaalsContact O-CE 3.27Å; G110-M304 WeakPolarHBondContact O-CE 3.19Å; V166-M304 HydrophobicContact CG1-CE 4.33Å; V166-M304 HydrophobicContact CG1-SD 4.42Å; I300-M304 HydrophobicContact CG2-CB 3.74Å; S301-M304 PolarHBondContact O-N 2.88Å; S301-M304 WeakPolarHBondContact OG-CG 3.3Å; R302-M304 VanDerWaalsContact C-N 3.29Å; R302-M304 PolarHBondContact O-N 3.15Å; M304-G306 PolarHBondContact O-N 3.17Å; M304-F339 WeakPolarHBondContact O-CZ 3.48Å
305	W	97.8	Very high	96.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	2.7	173.4	63.2	-101.9	0	0	0	113.6	I300 S301 R302 A307 S343 M346 R347 Q350 Y375 E376	I300-W305 HydrophobicContact CG2-CB 4.28Å; S301-W305 PolarHBondContact O-N 3.28Å; R302-W305 HydrophobicContact CG-CZ2 4.22Å; W305-A307 HydrophobicContact CD2-CB 4.01Å; W305-A307 HydrophobicContact CE3-CB 3.87Å; W305-A307 HydrophobicContact CH2-CB 3.17Å; W305-A307 HydrophobicContact CZ2-CB 3.33Å; W305-A307 HydrophobicContact CZ3-CB 3.47Å; W305-A307 VanDerWaalsContact CZ3-CB 3.47Å; W305-S343 WeakPolarHBondContact CB-OG 3.38Å; W305-M346 HydrophobicContact CD2-CB 3.9Å; W305-M346 HydrophobicContact CD2-CE 4.26Å; W305-M346 HydrophobicContact CD2-CG 4.45Å; W305-M346 HydrophobicContact CE3-CB 3.58Å; W305-M346 HydrophobicContact CG-CB 4.38Å; W305-M346 HydrophobicContact CH2-CE 4.23Å; W305-M346 HydrophobicContact CZ2-CE 3.76Å; W305-M346 HydrophobicContact CZ3-CB 3.97Å; W305-R347 HydrophobicContact CE3-CG 4.02Å; W305-R347 HydrophobicContact CZ3-CG 4.21Å; W305-R347 WeakPolarHBondContact O-CG 3.42Å; W305-R347 PolarHBondContact O-NH1 3.04Å; W305-Q350 HydrophobicContact CH2-CB 4.34Å; W305-Q350 HydrophobicContact CH2-CG 4.49Å; W305-Q350 HydrophobicContact CZ3-CB 4.37Å; W305-Y375 HydrophobicContact CB-CD1 3.93Å; W305-Y375 HydrophobicContact CB-CE1 4.12Å; W305-Y375 AromaticContact CD1-CD1 3.91Å; W305-Y375 HydrophobicContact CG-CD1 4.1Å; W305-E376 VanDerWaalsContact CZ2-O 3.3Å; W305-E376 WeakPolarHBondContact CZ2-O 3.4Å; W305-E376 PolarHBondContact NE1-O 3.29Å
306	G	97.1	Very high	96.7	Very high	32 Å²	32	48.8 Å²	48.8	33%	0.33	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	44.5	176.3	0	0	0	0	0	113	R302 C303 M304 R347	R302-G306 PolarHBondContact O-N 3.32Å; C303-G306 PolarHBondContact O-N 3.48Å; M304-G306 PolarHBondContact O-N 3.17Å; G306-R347 WeakPolarHBondContact O-CD 3.03Å
307	A	98.2	Very high	96.8	Very high	24 Å²	24	49.3 Å²	49.3	20%	0.198	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-63.5	137.7	175.9	0	0	0	0	0	112.2	R302 W305	R302-A307 HydrophobicContact CB-CB 3.78Å; R302-A307 HydrophobicContact CG-CB 4.35Å; R302-A307 WeakPolarHBondContact O-CB 3.4Å; R302-A307 PolarHBondContact O-N 3.41Å; W305-A307 HydrophobicContact CD2-CB 4.01Å; W305-A307 HydrophobicContact CE3-CB 3.87Å; W305-A307 HydrophobicContact CH2-CB 3.17Å; W305-A307 HydrophobicContact CZ2-CB 3.33Å; W305-A307 HydrophobicContact CZ3-CB 3.47Å; W305-A307 VanDerWaalsContact CZ3-CB 3.47Å
308	E	97.9	Very high	97	Very high	117 Å²	117	54.2 Å²	54.2	55%	0.547	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-66	154.3	161.5	-69.7	-62.1	158.6	0	0	110.7	R302 Q350	R302-E308 PolarHBondContact NH2-O 2.86Å; E308-Q350 PolarHBondContact O-NE2 3.5Å
309	P	96.8	Very high	97.1	Very high	94 Å²	94	56.5 Å²	56.5	61%	0.61	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-59.3	150.6	173.5	-23.1	34.1	0	0	0	112.5	Q354	P309-Q354 PolarHBondContact O-NE2 3.02Å
310	Y	96.8	Very high	97.2	Very high	48 Å²	48	57.5 Å²	57.5	19%	0.188	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-60.4	134.8	165.5	-171.8	-78	0	0	0	109.6	P314 D360 D361 I382	Y310-P314 HydrophobicContact CD1-CB 4.41Å; Y310-P314 HydrophobicContact CD1-CG 3.67Å; Y310-P314 HydrophobicContact CD2-CG 4.41Å; Y310-P314 HydrophobicContact CE1-CB 4.11Å; Y310-P314 HydrophobicContact CE1-CG 3.81Å; Y310-P314 HydrophobicContact CE2-CB 4.36Å; Y310-P314 HydrophobicContact CG-CG 4.01Å; Y310-D360 HydrophobicContact CD1-CB 4.14Å; Y310-D360 HydrophobicContact CD2-CB 4.42Å; Y310-D360 HydrophobicContact CE1-CB 3.5Å; Y310-D360 VanDerWaalsContact CE1-CB 3.5Å; Y310-D360 HydrophobicContact CE2-CB 3.84Å; Y310-D360 WeakPolarHBondContact OH-CB 3.39Å; Y310-D360 PolarHBondContact OH-OD2 2.97Å; Y310-D361 HydrophobicContact CD2-CB 3.61Å; Y310-D361 HydrophobicContact CE2-CB 4.04Å; Y310-D361 HydrophobicContact CG-CB 4.36Å; Y310-I382 HydrophobicContact CE2-CG2 4Å
311	R	97.3	Very high	97.2	Very high	99 Å²	99	57.2 Å²	57.2	37%	0.374	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-92.6	135.7	176.3	-60.8	175	177.7	-171.8	-6.1	110.3	Q354 E355 D360	R311-Q354 PolarHBondContact NH1-O 3.47Å; R311-E355 IonicContact CZ-OE1 2.82Å; R311-E355 IonicContact CZ-OE2 3.61Å; R311-E355 IonicContact NH1-OE1 2.86Å; R311-E355 IonicContact NH1-OE2 3.15Å; R311-E355 PolarHBondContact NH1-OE2 3.41Å; R311-E355 IonicContact NH2-OE1 3.79Å; R311-E355 PolarHBondContact NH2-OE1 2.93Å; R311-E355 IonicContact NH2-OE2 3.45Å; R311-E355 PolarHBondContact NH2-OE2 3.37Å; R311-D360 PolarHBondContact N-O 3.42Å; R311-D360 WeakPolarHBondContact O-CB 3.43Å
312	G	94.8	Very high	97.2	Very high	63 Å²	63	58.8 Å²	58.8	65%	0.649	36%	0.362	S	S	*	.	S	Bend	trans	76.7	-157.8	-179	0	0	0	0	0	113.4
313	T	95.6	Very high	97.3	Very high	125 Å²	125	58 Å²	58	77%	0.767	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-101.6	119.3	-176.2	-55.6	0	0	0	0	110.4	T315	T313-T315 PolarHBondContact O-N 3.31Å
314	P	95.8	Very high	97.4	Very high	58 Å²	58	56.1 Å²	56.1	38%	0.377	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-62.1	135.5	178.6	-21.7	31.2	0	0	0	112.7	Y310 I382	Y310-P314 HydrophobicContact CD1-CB 4.41Å; Y310-P314 HydrophobicContact CD1-CG 3.67Å; Y310-P314 HydrophobicContact CD2-CG 4.41Å; Y310-P314 HydrophobicContact CE1-CB 4.11Å; Y310-P314 HydrophobicContact CE1-CG 3.81Å; Y310-P314 HydrophobicContact CE2-CB 4.36Å; Y310-P314 HydrophobicContact CG-CG 4.01Å; P314-I382 HydrophobicContact CB-CD1 3.64Å; P314-I382 HydrophobicContact CB-CG1 4.24Å; P314-I382 HydrophobicContact CB-CG2 3.91Å
315	T	97.1	Very high	97.5	Very high	73 Å²	73	55.9 Å²	55.9	45%	0.448	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-87.1	120.3	169.6	-59.2	0	0	0	0	109.7	T313 Q383	T313-T315 PolarHBondContact O-N 3.31Å; T315-Q383 HydrophobicContact CG2-CB 4.26Å; T315-Q383 WeakPolarHBondContact O-CB 3.46Å; T315-Q383 PolarHBondContact O-N 2.94Å
316	S	98.1	Very high	97.6	Very high	93 Å²	93	55.9 Å²	55.9	65%	0.65	35%	0.346	S	S	*	.	B	Isolated β-bridge	trans	-73	142.7	176.3	-58.4	0	0	0	0	112.3	D381	S316-D381 CarbonylContact C-O 3.56Å; S316-D381 WeakPolarHBondContact CA-O 3.46Å
317	L	98.1	Very high	97.6	Very high	20 Å²	20	54.5 Å²	54.5	11%	0.105	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-76	145.9	173.3	-73.1	162.1	0	0	0	111.5	L319 L321 W380 D381 I382 Q383 Y395	L317-L319 HydrophobicContact CB-CD2 3.83Å; L317-L319 HydrophobicContact CB-CG 4.36Å; L317-L319 HydrophobicContact CD1-CD2 4.46Å; L317-L319 PolarHBondContact O-N 3.45Å; L317-L321 HydrophobicContact CB-CD2 4.41Å; L317-L321 HydrophobicContact CD1-CD1 4.03Å; L317-L321 HydrophobicContact CD2-CD1 4.18Å; L317-L321 HydrophobicContact CD2-CD2 4.02Å; L317-W380 WeakPolarHBondContact CD1-O 3.38Å; L317-D381 PolarHBondContact N-O 2.99Å; L317-I382 WeakPolarHBondContact CD1-O 3.46Å; L317-Q383 HydrophobicContact CD2-CB 4.12Å; L317-Q383 HydrophobicContact CD2-CG 4.25Å; L317-Q383 HydrophobicContact CG-CB 4.41Å; L317-Y395 HydrophobicContact CD1-CE1 4.02Å
318	S	97.9	Very high	97.7	Very high	106 Å²	106	53.7 Å²	53.7	74%	0.741	32%	0.323	S	S	*	.			trans	-90.9	94.7	168	-179.3	0	0	0	0	109.4
319	L	97.8	Very high	97.7	Very high	63 Å²	63	48.8 Å²	48.8	33%	0.33	30%	0.301	S	S	.	.	S	Bend	trans	-82.6	153.3	-177.7	-55.7	-179.1	0	0	0	112.4	L317 L321 Y395	L317-L319 HydrophobicContact CB-CD2 3.83Å; L317-L319 HydrophobicContact CB-CG 4.36Å; L317-L319 HydrophobicContact CD1-CD2 4.46Å; L317-L319 PolarHBondContact O-N 3.45Å; L319-L321 HydrophobicContact CD2-CD1 4.25Å; L319-L321 HydrophobicContact CD2-CD2 4.12Å; L319-L321 HydrophobicContact CD2-CG 3.77Å; L319-Y395 WeakPolarHBondContact CD2-OH 3.47Å
320	P	98.5	Very high	97.7	Very high	67 Å²	67	48.8 Å²	48.8	44%	0.435	29%	0.293	S	S	.	.	S	Bend	cis	-76.4	149.4	-4.5	30.8	-35.4	0	0	0	112.9	G428 V431	P320-G428 WeakPolarHBondContact CA-O 3.35Å; P320-G428 WeakPolarHBondContact CB-O 3.39Å; P320-V431 HydrophobicContact CB-CG1 3.72Å; P320-V431 HydrophobicContact CG-CG1 3.54Å
321	L	98.4	Very high	97.6	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	145.8	177.4	-57.4	179.1	0	0	0	112.2	L317 L319 Y395 G429 L430 V431	L317-L321 HydrophobicContact CB-CD2 4.41Å; L317-L321 HydrophobicContact CD1-CD1 4.03Å; L317-L321 HydrophobicContact CD2-CD1 4.18Å; L317-L321 HydrophobicContact CD2-CD2 4.02Å; L319-L321 HydrophobicContact CD2-CD1 4.25Å; L319-L321 HydrophobicContact CD2-CD2 4.12Å; L319-L321 HydrophobicContact CD2-CG 3.77Å; L321-Y395 HydrophobicContact CD1-CD1 3.9Å; L321-Y395 HydrophobicContact CD1-CD2 3.93Å; L321-Y395 HydrophobicContact CD1-CE1 3.79Å; L321-Y395 HydrophobicContact CD1-CE2 3.8Å; L321-Y395 HydrophobicContact CD1-CG 3.97Å; L321-Y395 HydrophobicContact CG-CE2 4.4Å; L321-G429 PolarHBondContact N-O 3.44Å; L321-L430 HydrophobicContact CB-CD1 4.31Å; L321-L430 WeakPolarHBondContact O-CD1 3.38Å; L321-V431 PolarHBondContact O-N 3Å
322	P	98.2	Very high	97.7	Very high	54 Å²	54	48 Å²	48	35%	0.351	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-16.8	175.3	27.1	-32.9	0	0	0	115.6	K393 Y434 T435	P322-K393 WeakPolarHBondContact CD-O 3.45Å; P322-K393 WeakPolarHBondContact CG-O 3.28Å; P322-Y434 VanDerWaalsContact O-CA 3.29Å; P322-Y434 WeakPolarHBondContact O-CA 3.37Å; P322-Y434 WeakPolarHBondContact O-CB 3.31Å; P322-T435 PolarHBondContact O-N 3.28Å
323	F	98.5	Very high	97.8	Very high	32 Å²	32	47.6 Å²	47.6	14%	0.14	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	150.2	-171.7	-61.3	-76.9	0	0	0	114.6	F325 K393 G394 Y395 T435 V465	F323-F325 HydrophobicContact CB-CD2 4.27Å; F323-F325 HydrophobicContact CB-CE1 4.23Å; F323-F325 HydrophobicContact CB-CE2 3.57Å; F323-F325 HydrophobicContact CB-CZ 3.53Å; F323-F325 HydrophobicContact CD1-CZ 4.41Å; F323-F325 HydrophobicContact CD2-CZ 4.28Å; F323-F325 HydrophobicContact CG-CE2 4.31Å; F323-F325 AromaticContact CG-CZ 3.84Å; F323-F325 HydrophobicContact CG-CZ 3.84Å; F323-K393 HydrophobicContact CD2-CB 3.97Å; F323-K393 WeakPolarHBondContact CD2-O 3.43Å; F323-K393 HydrophobicContact CE2-CB 4.49Å; F323-K393 PolarHBondContact N-O 3.19Å; F323-G394 CarbonylContact O-C 3.58Å; F323-G394 WeakPolarHBondContact O-CA 3.42Å; F323-Y395 PolarHBondContact O-N 3.18Å; F323-Y395 VanDerWaalsContact O-N 3.16Å; F323-T435 WeakPolarHBondContact CA-O 3.25Å; F323-T435 HydrophobicContact CD1-CG2 4.33Å; F323-T435 HydrophobicContact CE1-CG2 4.24Å; F323-V465 HydrophobicContact CE1-CG2 3.6Å; F323-V465 HydrophobicContact CZ-CG2 3.9Å
324	L	98.6	Very high	97.8	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	117	165	-175.6	63.6	0	0	0	108.7	I326 V397 A421 Y434 T435 L436 Q437	L324-I326 HydrophobicContact CD2-CD1 4.44Å; L324-I326 HydrophobicContact CG-CD1 4.28Å; L324-V397 HydrophobicContact CD1-CG2 3.66Å; L324-A421 HydrophobicContact CD2-CB 4.2Å; L324-Y434 HydrophobicContact CB-CD2 3.93Å; L324-Y434 HydrophobicContact CB-CE2 4.09Å; L324-Y434 HydrophobicContact CD2-CE2 4.1Å; L324-T435 PolarHBondContact N-O 3.16Å; L324-L436 HydrophobicContact CD2-CD1 4.16Å; L324-L436 WeakPolarHBondContact O-CA 3.2Å; L324-Q437 PolarHBondContact O-N 3.18Å
325	F	98.8	Very high	97.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.7	-178.7	-61.7	-72.2	0	0	0	110.6	F323 H327 H386 T387 Q390 Y395 G396 V397 Q437 V442	F323-F325 HydrophobicContact CB-CD2 4.27Å; F323-F325 HydrophobicContact CB-CE1 4.23Å; F323-F325 HydrophobicContact CB-CE2 3.57Å; F323-F325 HydrophobicContact CB-CZ 3.53Å; F323-F325 HydrophobicContact CD1-CZ 4.41Å; F323-F325 HydrophobicContact CD2-CZ 4.28Å; F323-F325 HydrophobicContact CG-CE2 4.31Å; F323-F325 AromaticContact CG-CZ 3.84Å; F323-F325 HydrophobicContact CG-CZ 3.84Å; F325-H327 PolarHBondContact O-CD2 3.45Å; F325-H386 AromaticContact CD2-CE1 3.9Å; F325-T387 HydrophobicContact CD1-CG2 4.27Å; F325-T387 HydrophobicContact CE1-CG2 4.39Å; F325-T387 HydrophobicContact CG-CG2 4.41Å; F325-Q390 HydrophobicContact CE1-CB 4.34Å; F325-Q390 HydrophobicContact CE1-CG 4.43Å; F325-Q390 HydrophobicContact CE2-CB 3.68Å; F325-Q390 HydrophobicContact CZ-CB 3.52Å; F325-Q390 HydrophobicContact CZ-CG 3.94Å; F325-Y395 PolarHBondContact N-O 3.16Å; F325-G396 WeakPolarHBondContact O-CA 3.45Å; F325-V397 PolarHBondContact O-N 3.09Å; F325-Q437 CarbonylContact C-O 3.57Å; F325-Q437 WeakPolarHBondContact CA-O 3Å; F325-Q437 HydrophobicContact CD1-CB 4.03Å; F325-Q437 HydrophobicContact CE1-CB 4.2Å; F325-V442 HydrophobicContact CD1-CG2 4.3Å; F325-V442 HydrophobicContact CE1-CG1 4.44Å; F325-V442 HydrophobicContact CE1-CG2 4.01Å
326	I	98.8	Very high	97.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.8	178.2	-54.8	-56.7	0	0	0	110.5	L324 F399 V416 L436 Q437 H439 P448 F452 I456 W459	L324-I326 HydrophobicContact CD2-CD1 4.44Å; L324-I326 HydrophobicContact CG-CD1 4.28Å; I326-F399 HydrophobicContact CG2-CD2 4.27Å; I326-F399 HydrophobicContact CG2-CE2 4.07Å; I326-V416 HydrophobicContact CD1-CG1 4Å; I326-L436 HydrophobicContact CD1-CD1 4.36Å; I326-L436 HydrophobicContact CG1-CD1 4.2Å; I326-L436 HydrophobicContact CG1-CD2 3.93Å; I326-L436 HydrophobicContact CG1-CG 4.05Å; I326-Q437 PolarHBondContact N-O 3.14Å; I326-H439 PolarHBondContact O-N 3Å; I326-P448 HydrophobicContact CG2-CB 4.24Å; I326-P448 HydrophobicContact CG2-CG 4.41Å; I326-F452 HydrophobicContact CG2-CD1 4.28Å; I326-F452 HydrophobicContact CG2-CE1 3.4Å; I326-F452 HydrophobicContact CG2-CZ 3.64Å; I326-I456 HydrophobicContact CB-CD1 3.98Å; I326-I456 HydrophobicContact CG1-CD1 4.34Å; I326-I456 HydrophobicContact CG2-CD1 4.33Å; I326-I456 HydrophobicContact CG2-CG2 4.21Å; I326-W459 HydrophobicContact CD1-CZ3 4.47Å
327	H	98.9	Very high	97.9	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.009	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	162.4	178.7	-61.1	-102.9	0	0	0	111.2	F325 Y364 H386 T387 V397 S398 F399 H439 C447	F325-H327 PolarHBondContact O-CD2 3.45Å; H327-Y364 HydrophobicContact CB-CD1 4.43Å; H327-Y364 HydrophobicContact CB-CE1 3.97Å; H327-Y364 AromaticContact CG-CE1 3.96Å; H327-H386 PolarHBondContact CE1-O 3.32Å; H327-H386 AromaticContact NE2-ND1 3.69Å; H327-T387 PolarHBondContact CE1-OG1 2.63Å; H327-T387 PolarHBondContact NE2-OG1 3.48Å; H327-T387 VanDerWaalsContact NE2-OG1 3.16Å; H327-V397 PolarHBondContact N-O 2.76Å; H327-S398 WeakPolarHBondContact O-CA 3.02Å; H327-F399 PolarHBondContact O-N 3.31Å; H327-H439 AromaticContact CE1-CD2 3.78Å; H327-H439 AromaticContact CE1-CE1 3.65Å; H327-H439 AromaticContact CE1-CG 3.23Å; H327-H439 AromaticContact CE1-ND1 3.14Å; H327-H439 PolarHBondContact CE1-ND1 2.72Å; H327-H439 AromaticContact ND1-CE1 3.81Å; H327-H439 AromaticContact ND1-CG 3.41Å; H327-H439 AromaticContact ND1-ND1 3.01Å; H327-H439 PolarHBondContact ND1-ND1 3.06Å; H327-C447 WeakPolarHBondContact CA-SG 3.47Å
328	H	98.7	Very high	97.9	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.032	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	162.2	155.4	73.9	168.1	0	0	0	109	S398 F399 D402 Y403 C447 P448	H328-S398 VanDerWaalsContact C-OG 3.23Å; H328-F399 WeakPolarHBondContact CA-O 3.31Å; H328-D402 IonicContact CE1-OD1 3.75Å; H328-D402 PolarHBondContact CE1-OD1 2.68Å; H328-D402 IonicContact ND1-OD1 3.62Å; H328-Y403 HydrophobicContact CB-CD2 3.64Å; H328-Y403 HydrophobicContact CB-CE2 4.3Å; H328-Y403 PolarHBondContact ND1-N 3.28Å; H328-C447 PolarHBondContact N-SG 3.34Å; H328-C447 VanDerWaalsContact N-SG 3.42Å; H328-P448 HydrophobicContact CB-CB 4.45Å; H328-P448 WeakPolarHBondContact CB-O 3.41Å; H328-P448 VanDerWaalsContact CG-C 3.47Å; H328-P448 VanDerWaalsContact CG-O 3.24Å; H328-P448 PolarHBondContact ND1-O 3.47Å; H328-P448 VanDerWaalsContact ND1-O 3.16Å
329	T	98.3	Very high	97.9	Very high	14 Å²	14	39.5 Å²	39.5	9%	0.086	22%	0.223	C	C	.	.			trans	-77.6	-34.7	179.4	51.6	0	0	0	0	111.6	T331 P332 M349 S398 F399 I400 G401	T329-T331 PolarHBondContact O-N 3.27Å; T329-P332 PolarHBondContact OG1-O 3.32Å; T329-M349 HydrophobicContact CG2-CE 4.09Å; T329-M349 HydrophobicContact CG2-SD 3.28Å; T329-M349 WeakPolarHBondContact CG2-SD 3.25Å; T329-S398 WeakPolarHBondContact CG2-OG 3.14Å; T329-S398 PolarHBondContact N-OG 2.03Å; T329-F399 PolarHBondContact N-O 3.33Å; T329-F399 PolarHBondContact OG1-O 2.88Å; T329-I400 HydrophobicContact CG2-CG1 4.22Å; T329-I400 WeakPolarHBondContact OG1-CA 3.44Å; T329-G401 PolarHBondContact N-O 3.36Å; T329-G401 PolarHBondContact OG1-N 3.02Å; T329-G401 PolarHBondContact OG1-O 2.82Å
330	H	96.6	Very high	97.9	Very high	94 Å²	94	41.6 Å²	41.6	44%	0.435	23%	0.231	S	C	.	.	S	Bend	trans	59.3	-44.3	-166.7	-178.9	65.2	0	0	0	113.4	P332 S333 G401 D402	H330-P332 CarbonylContact C-O 3.34Å; H330-P332 CarbonylContact O-C 3.4Å; H330-S333 WeakPolarHBondContact O-CA 3.25Å; H330-S333 VanDerWaalsContact O-CB 3.25Å; H330-S333 WeakPolarHBondContact O-CB 3.41Å; H330-S333 PolarHBondContact O-N 2.87Å; H330-G401 PolarHBondContact N-O 2.66Å; H330-D402 IonicContact CE1-OD2 2.68Å; H330-D402 PolarHBondContact CE1-OD2 2.71Å; H330-D402 IonicContact ND1-OD1 2.73Å; H330-D402 IonicContact ND1-OD2 2.66Å; H330-D402 PolarHBondContact ND1-OD2 2.71Å
331	T	96	Very high	97.9	Very high	108 Å²	108	42.6 Å²	42.6	66%	0.663	23%	0.229	S	C	*	.	S	Bend	trans	-131.6	119.1	164.5	-60.8	0	0	0	0	108.3	T329	T329-T331 PolarHBondContact O-N 3.27Å
332	P	97.8	Very high	97.9	Very high	22 Å²	22	42.6 Å²	42.6	14%	0.143	23%	0.228	C	C	.	.	S	Bend	cis	-59.6	142.2	-1.4	-24.6	37.3	0	0	0	113.3	T329 H330 D345 I400	T329-P332 PolarHBondContact OG1-O 3.32Å; H330-P332 CarbonylContact C-O 3.34Å; H330-P332 CarbonylContact O-C 3.4Å; P332-D345 HydrophobicContact CB-CB 4.46Å; P332-D345 HydrophobicContact CG-CB 3.8Å; P332-D345 WeakPolarHBondContact CG-OD1 3.26Å; P332-I400 HydrophobicContact CB-CG2 4.36Å
333	S	96.9	Very high	97.9	Very high	56 Å²	56	40.1 Å²	40.1	39%	0.392	21%	0.212	S	C	.	.			trans	-92.4	-23	-173.1	60.9	0	0	0	0	113.8	H330 G401 D402	H330-S333 WeakPolarHBondContact O-CA 3.25Å; H330-S333 VanDerWaalsContact O-CB 3.25Å; H330-S333 WeakPolarHBondContact O-CB 3.41Å; H330-S333 PolarHBondContact O-N 2.87Å; S333-G401 CarbonylContact O-C 3.57Å; S333-G401 VanDerWaalsContact O-CA 3.31Å; S333-G401 WeakPolarHBondContact O-CA 3.31Å; S333-D402 PolarHBondContact O-N 3.01Å
334	E	97	Very high	97.9	Very high	130 Å²	130	40.4 Å²	40.4	61%	0.607	22%	0.221	S	C	*	.	S	Bend	trans	-95.7	140.3	-178.9	-64	-56.4	133.9	0	0	111.2	C336	E334-C336 PolarHBondContact O-N 3.26Å
335	P	96.9	Very high	97.9	Very high	54 Å²	54	40.8 Å²	40.8	35%	0.351	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-53.9	133.3	167.1	-24.7	34.6	0	0	0	111.6
336	C	97.9	Very high	97.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-89.5	131	173.1	68	0	0	0	0	110.1	E334 K341 C342 D345 S370 D371 I400	E334-C336 PolarHBondContact O-N 3.26Å; C336-K341 HydrophobicContact CB-CB 4.29Å; C336-K341 HydrophobicContact CB-CG 3.8Å; C336-C342 VanDerWaalsContact C-SG 3.5Å; C336-C342 HydrophobicContact CB-CB 3.85Å; C336-C342 WeakPolarHBondContact CB-SG 3.31Å; C336-C342 PolarHBondContact O-SG 2.95Å; C336-C342 WeakPolarHBondContact SG-CA 3.3Å; C336-C342 WeakPolarHBondContact SG-CB 3.25Å; C336-C342 CovalentContact SG-SG 2.03Å; C336-C342 PolarHBondContact SG-SG 3.37Å; C336-D345 WeakPolarHBondContact CB-OD2 3.01Å; C336-S370 CarbonylContact O-C 3.58Å; C336-S370 VanDerWaalsContact O-C 3.28Å; C336-S370 VanDerWaalsContact O-CA 3.28Å; C336-S370 WeakPolarHBondContact O-CA 3.49Å; C336-S370 VanDerWaalsContact O-CB 3.25Å; C336-S370 WeakPolarHBondContact O-CB 3.13Å; C336-S370 PolarHBondContact O-N 3.4Å; C336-D371 PolarHBondContact O-N 2.95Å; C336-D371 VanDerWaalsContact O-N 3.15Å; C336-I400 HydrophobicContact CB-CG2 4.26Å; C336-I400 WeakPolarHBondContact SG-CD1 3.3Å
337	L	97.5	Very high	97.9	Very high	44 Å²	44	44.8 Å²	44.8	23%	0.23	24%	0.238	C	C	.	.			trans	-117.8	-0.7	-170.5	-63.7	171.8	0	0	0	113.8	L221 D222	L221-L337 HydrophobicContact CB-CB 4.33Å; D222-L337 VanDerWaalsContact O-CD1 3.27Å; D222-L337 WeakPolarHBondContact O-CD1 3.41Å
338	T	97.8	Very high	97.9	Very high	62 Å²	62	46.8 Å²	46.8	38%	0.38	26%	0.255	S	S	.	.	S	Bend	trans	-133.1	155	174	84.3	0	0	0	0	109.7	E340 K341 C342	T338-E340 VanDerWaalsContact CB-OE2 3.28Å; T338-E340 WeakPolarHBondContact CB-OE2 3.44Å; T338-E340 PolarHBondContact O-N 3.21Å; T338-E340 PolarHBondContact OG1-N 3.18Å; T338-E340 PolarHBondContact OG1-OE2 3.37Å; T338-K341 PolarHBondContact O-N 3.41Å; T338-K341 PolarHBondContact OG1-N 3.37Å; T338-C342 WeakPolarHBondContact O-CB 3.49Å; T338-C342 PolarHBondContact O-N 3.39Å; T338-C342 PolarHBondContact O-SG 3.45Å
339	F	97.8	Very high	97.9	Very high	15 Å²	15	46.8 Å²	46.8	7%	0.066	26%	0.255	C	S	.	.	H	α-helix	trans	-54.9	-41.5	175.9	166.5	-113.6	0	0	0	111.9	P108 G110 I300 M304 S343 Y375	P108-F339 WeakPolarHBondContact O-CB 3.12Å; G110-F339 VanDerWaalsContact CA-CD2 3.44Å; G110-F339 VanDerWaalsContact CA-CG 3.43Å; I300-F339 HydrophobicContact CG2-CE2 3.93Å; M304-F339 WeakPolarHBondContact O-CZ 3.48Å; F339-S343 WeakPolarHBondContact CD2-OG 3.26Å; F339-S343 WeakPolarHBondContact CE2-OG 3.48Å; F339-S343 WeakPolarHBondContact O-CB 3.38Å; F339-S343 PolarHBondContact O-N 3.12Å; F339-S343 PolarHBondContact O-OG 2.99Å; F339-Y375 HydrophobicContact CD2-CE1 4.38Å
340	E	97.6	Very high	98	Very high	106 Å²	106	46.2 Å²	46.2	50%	0.495	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-43.9	-180	-57.5	77.9	-171.1	0	0	111.4	T338 A344	T338-E340 VanDerWaalsContact CB-OE2 3.28Å; T338-E340 WeakPolarHBondContact CB-OE2 3.44Å; T338-E340 PolarHBondContact O-N 3.21Å; T338-E340 PolarHBondContact OG1-N 3.18Å; T338-E340 PolarHBondContact OG1-OE2 3.37Å; E340-A344 VanDerWaalsContact O-CB 3.3Å; E340-A344 WeakPolarHBondContact O-CB 3.32Å; E340-A344 PolarHBondContact O-N 2.85Å
341	K	98.3	Very high	98	Very high	89 Å²	89	49 Å²	49	39%	0.387	26%	0.258	S	S	.	.	H	α-helix	trans	-68.9	-47	179.5	-178.1	59.1	170.8	77.8	0	111.2	C336 T338 S343 A344 D345	C336-K341 HydrophobicContact CB-CB 4.29Å; C336-K341 HydrophobicContact CB-CG 3.8Å; T338-K341 PolarHBondContact O-N 3.41Å; T338-K341 PolarHBondContact OG1-N 3.37Å; K341-S343 VanDerWaalsContact C-N 3.33Å; K341-S343 PolarHBondContact O-N 2.98Å; K341-A344 WeakPolarHBondContact O-CB 3.46Å; K341-A344 PolarHBondContact O-N 3.18Å; K341-D345 IonicContact NZ-OD1 2.63Å; K341-D345 PolarHBondContact NZ-OD1 3.02Å; K341-D345 IonicContact NZ-OD2 2.66Å; K341-D345 PolarHBondContact NZ-OD2 3.32Å; K341-D345 PolarHBondContact O-N 2.85Å
342	C	98.6	Very high	98.2	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-41.5	178.1	-69	0	0	0	0	111.4	C336 T338 A344 D345 M346 D371 Y375	C336-C342 VanDerWaalsContact C-SG 3.5Å; C336-C342 HydrophobicContact CB-CB 3.85Å; C336-C342 WeakPolarHBondContact CB-SG 3.31Å; C336-C342 PolarHBondContact O-SG 2.95Å; C336-C342 WeakPolarHBondContact SG-CA 3.3Å; C336-C342 WeakPolarHBondContact SG-CB 3.25Å; C336-C342 CovalentContact SG-SG 2.03Å; C336-C342 PolarHBondContact SG-SG 3.37Å; T338-C342 WeakPolarHBondContact O-CB 3.49Å; T338-C342 PolarHBondContact O-N 3.39Å; T338-C342 PolarHBondContact O-SG 3.45Å; C342-A344 VanDerWaalsContact C-N 3.35Å; C342-A344 PolarHBondContact O-N 3.37Å; C342-D345 PolarHBondContact O-N 3.24Å; C342-M346 VanDerWaalsContact O-CG 3.3Å; C342-M346 WeakPolarHBondContact O-CG 3.49Å; C342-M346 PolarHBondContact O-N 2.92Å; C342-D371 PolarHBondContact SG-OD1 2.94Å; C342-D371 PolarHBondContact SG-OD2 3.31Å; C342-Y375 HydrophobicContact CB-CE1 4.11Å; C342-Y375 HydrophobicContact CB-CE2 3.6Å; C342-Y375 WeakPolarHBondContact CB-OH 3.29Å
343	S	98.7	Very high	98.2	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-65.5	-36.7	174.6	-60.5	0	0	0	0	112.4	W305 F339 K341 M346 R347	W305-S343 WeakPolarHBondContact CB-OG 3.38Å; F339-S343 WeakPolarHBondContact CD2-OG 3.26Å; F339-S343 WeakPolarHBondContact CE2-OG 3.48Å; F339-S343 WeakPolarHBondContact O-CB 3.38Å; F339-S343 PolarHBondContact O-N 3.12Å; F339-S343 PolarHBondContact O-OG 2.99Å; K341-S343 VanDerWaalsContact C-N 3.33Å; K341-S343 PolarHBondContact O-N 2.98Å; S343-M346 PolarHBondContact O-N 3.09Å; S343-R347 VanDerWaalsContact CB-NH1 3.33Å; S343-R347 WeakPolarHBondContact O-CG 3.47Å; S343-R347 PolarHBondContact O-N 3.21Å; S343-R347 PolarHBondContact O-NH1 2.85Å
344	A	98.7	Very high	98.3	Very high	39 Å²	39	44.7 Å²	44.7	32%	0.322	22%	0.221	S	C	.	.	H	α-helix	trans	-64.5	-40.7	174	0	0	0	0	0	112	E340 K341 C342 R347 A348	E340-A344 VanDerWaalsContact O-CB 3.3Å; E340-A344 WeakPolarHBondContact O-CB 3.32Å; E340-A344 PolarHBondContact O-N 2.85Å; K341-A344 WeakPolarHBondContact O-CB 3.46Å; K341-A344 PolarHBondContact O-N 3.18Å; C342-A344 VanDerWaalsContact C-N 3.35Å; C342-A344 PolarHBondContact O-N 3.37Å; A344-R347 PolarHBondContact O-N 3Å; A344-A348 WeakPolarHBondContact O-CB 3.34Å; A344-A348 PolarHBondContact O-N 3.4Å
345	D	98.9	Very high	98.3	Very high	12 Å²	12	44 Å²	44	6%	0.064	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-42.3	175.9	-72.7	-18.2	0	0	0	111.8	P332 C336 K341 C342 R347 A348 M349 I400	P332-D345 HydrophobicContact CB-CB 4.46Å; P332-D345 HydrophobicContact CG-CB 3.8Å; P332-D345 WeakPolarHBondContact CG-OD1 3.26Å; C336-D345 WeakPolarHBondContact CB-OD2 3.01Å; K341-D345 IonicContact NZ-OD1 2.63Å; K341-D345 PolarHBondContact NZ-OD1 3.02Å; K341-D345 IonicContact NZ-OD2 2.66Å; K341-D345 PolarHBondContact NZ-OD2 3.32Å; K341-D345 PolarHBondContact O-N 2.85Å; C342-D345 PolarHBondContact O-N 3.24Å; D345-R347 PolarHBondContact O-N 2.88Å; D345-A348 PolarHBondContact O-N 3.32Å; D345-M349 WeakPolarHBondContact O-CG 3.45Å; D345-M349 PolarHBondContact O-N 3.34Å; D345-I400 HydrophobicContact CB-CD1 4.18Å; D345-I400 HydrophobicContact CB-CG2 4.31Å
346	M	98.9	Very high	98.4	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-56.6	-48.8	172.2	-73.4	-64.3	-66.5	0	0	111.8	W305 C342 S343 A348 M349 Q350 I362 V367 Y375	W305-M346 HydrophobicContact CD2-CB 3.9Å; W305-M346 HydrophobicContact CD2-CE 4.26Å; W305-M346 HydrophobicContact CD2-CG 4.45Å; W305-M346 HydrophobicContact CE3-CB 3.58Å; W305-M346 HydrophobicContact CG-CB 4.38Å; W305-M346 HydrophobicContact CH2-CE 4.23Å; W305-M346 HydrophobicContact CZ2-CE 3.76Å; W305-M346 HydrophobicContact CZ3-CB 3.97Å; C342-M346 VanDerWaalsContact O-CG 3.3Å; C342-M346 WeakPolarHBondContact O-CG 3.49Å; C342-M346 PolarHBondContact O-N 2.92Å; S343-M346 PolarHBondContact O-N 3.09Å; M346-A348 PolarHBondContact O-N 2.88Å; M346-M349 PolarHBondContact O-N 3.45Å; M346-M349 HydrophobicContact SD-CE 3.79Å; M346-Q350 WeakPolarHBondContact O-CB 3.27Å; M346-Q350 PolarHBondContact O-N 2.86Å; M346-I362 HydrophobicContact CE-CD1 3.66Å; M346-I362 HydrophobicContact SD-CD1 4.11Å; M346-V367 HydrophobicContact CE-CB 4.18Å; M346-V367 HydrophobicContact CE-CG2 3.99Å; M346-V367 HydrophobicContact SD-CB 3.48Å; M346-V367 WeakPolarHBondContact SD-CB 3.33Å; M346-V367 HydrophobicContact SD-CG1 3.69Å; M346-V367 HydrophobicContact SD-CG2 3.63Å; M346-Y375 HydrophobicContact CG-CD1 3.85Å; M346-Y375 HydrophobicContact CG-CG 3.96Å; M346-Y375 HydrophobicContact SD-CG 4.33Å
347	R	98.8	Very high	98.4	Very high	84 Å²	84	52.7 Å²	52.7	32%	0.317	25%	0.252	S	S	.	.	H	α-helix	trans	-64.7	-37.6	177	-70.1	-175.6	-60.2	-92.9	2.5	112.5	W305 G306 S343 A344 D345 R351	W305-R347 HydrophobicContact CE3-CG 4.02Å; W305-R347 HydrophobicContact CZ3-CG 4.21Å; W305-R347 WeakPolarHBondContact O-CG 3.42Å; W305-R347 PolarHBondContact O-NH1 3.04Å; G306-R347 WeakPolarHBondContact O-CD 3.03Å; S343-R347 VanDerWaalsContact CB-NH1 3.33Å; S343-R347 WeakPolarHBondContact O-CG 3.47Å; S343-R347 PolarHBondContact O-N 3.21Å; S343-R347 PolarHBondContact O-NH1 2.85Å; A344-R347 PolarHBondContact O-N 3Å; D345-R347 PolarHBondContact O-N 2.88Å; R347-R351 VanDerWaalsContact O-CB 3.3Å; R347-R351 WeakPolarHBondContact O-CB 3.39Å; R347-R351 PolarHBondContact O-N 3.43Å
348	A	98.7	Very high	98.4	Very high	44 Å²	44	53.4 Å²	53.4	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-63.7	-46	176.2	0	0	0	0	0	111.4	A344 D345 M346 R351 F352	A344-A348 WeakPolarHBondContact O-CB 3.34Å; A344-A348 PolarHBondContact O-N 3.4Å; D345-A348 PolarHBondContact O-N 3.32Å; M346-A348 PolarHBondContact O-N 2.88Å; A348-R351 PolarHBondContact O-N 3.49Å; A348-F352 WeakPolarHBondContact O-CB 3.42Å; A348-F352 PolarHBondContact O-N 2.93Å
349	M	98.9	Very high	98.4	Very high	7 Å²	7	53.9 Å²	53.9	3%	0.034	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-42.8	175.6	-72.4	-173.9	-74.4	0	0	112.6	T329 D345 M346 F352 H353 I362 Y364 V367 I400	T329-M349 HydrophobicContact CG2-CE 4.09Å; T329-M349 HydrophobicContact CG2-SD 3.28Å; T329-M349 WeakPolarHBondContact CG2-SD 3.25Å; D345-M349 WeakPolarHBondContact O-CG 3.45Å; D345-M349 PolarHBondContact O-N 3.34Å; M346-M349 PolarHBondContact O-N 3.45Å; M346-M349 HydrophobicContact SD-CE 3.79Å; M349-F352 PolarHBondContact O-N 2.63Å; M349-H353 WeakPolarHBondContact O-CB 3.23Å; M349-H353 PolarHBondContact O-N 3Å; M349-H353 PolarHBondContact O-ND1 3.31Å; M349-H353 VanDerWaalsContact O-ND1 3.11Å; M349-I362 HydrophobicContact CB-CD1 4.08Å; M349-I362 HydrophobicContact CB-CG1 4.42Å; M349-I362 HydrophobicContact CE-CD1 4.44Å; M349-Y364 HydrophobicContact SD-CE2 4.09Å; M349-V367 HydrophobicContact CE-CG1 4.07Å; M349-I400 HydrophobicContact CE-CD1 4.27Å; M349-I400 HydrophobicContact CE-CG1 4.11Å
350	Q	98.8	Very high	98.4	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.009	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-46.6	177.8	-173.2	-174.4	34.9	0	0	111.1	R302 W305 E308 M346 F352 H353 Q354 D361 I362	R302-Q350 VanDerWaalsContact NH2-NE2 3.12Å; W305-Q350 HydrophobicContact CH2-CB 4.34Å; W305-Q350 HydrophobicContact CH2-CG 4.49Å; W305-Q350 HydrophobicContact CZ3-CB 4.37Å; E308-Q350 PolarHBondContact O-NE2 3.5Å; M346-Q350 WeakPolarHBondContact O-CB 3.27Å; M346-Q350 PolarHBondContact O-N 2.86Å; Q350-F352 PolarHBondContact O-N 3.38Å; Q350-H353 PolarHBondContact O-N 2.97Å; Q350-Q354 HydrophobicContact CG-CG 4.41Å; Q350-Q354 WeakPolarHBondContact O-CB 3.19Å; Q350-Q354 PolarHBondContact O-N 2.94Å; Q350-D361 PolarHBondContact NE2-OD1 3.27Å; Q350-I362 HydrophobicContact CB-CB 4.17Å; Q350-I362 HydrophobicContact CG-CB 4.27Å
351	R	98.7	Very high	98.5	Very high	154 Å²	154	51.2 Å²	51.2	58%	0.581	26%	0.255	S	S	*	.	H	α-helix	trans	-58.2	-48.5	176.3	-170.6	-162	-37.5	-91.7	-6.8	111.4	R347 A348 H353 Q354 E355	R347-R351 VanDerWaalsContact O-CB 3.3Å; R347-R351 WeakPolarHBondContact O-CB 3.39Å; R347-R351 PolarHBondContact O-N 3.43Å; A348-R351 PolarHBondContact O-N 3.49Å; R351-H353 VanDerWaalsContact C-N 3.31Å; R351-H353 PolarHBondContact O-N 2.74Å; R351-Q354 PolarHBondContact O-N 2.82Å; R351-E355 HydrophobicContact CG-CG 3.93Å; R351-E355 WeakPolarHBondContact O-CB 3.22Å; R351-E355 WeakPolarHBondContact O-CG 3.4Å; R351-E355 PolarHBondContact O-N 3.22Å
352	F	98.7	Very high	98.5	Very high	85 Å²	85	47 Å²	47	37%	0.373	24%	0.236	S	C	.	.	I	π-helix	trans	-59.5	-43	177.3	171.8	-106.5	0	0	0	112	A348 M349 Q350 D356 R357	A348-F352 WeakPolarHBondContact O-CB 3.42Å; A348-F352 PolarHBondContact O-N 2.93Å; M349-F352 PolarHBondContact O-N 2.63Å; Q350-F352 PolarHBondContact O-N 3.38Å; F352-D356 WeakPolarHBondContact CA-OD2 3.5Å; F352-D356 HydrophobicContact CD2-CB 3.72Å; F352-D356 VanDerWaalsContact CD2-OD2 3.27Å; F352-D356 WeakPolarHBondContact CD2-OD2 3.29Å; F352-D356 HydrophobicContact CE2-CB 3.93Å; F352-D356 WeakPolarHBondContact O-CB 3.4Å; F352-D356 PolarHBondContact O-N 3.29Å; F352-D356 VanDerWaalsContact O-N 3.1Å; F352-R357 HydrophobicContact CE1-CG 4.21Å; F352-R357 VanDerWaalsContact CE1-CZ 3.48Å; F352-R357 VanDerWaalsContact CE1-NE 3.31Å; F352-R357 HydrophobicContact CZ-CG 4.23Å; F352-R357 PolarHBondContact O-N 3.43Å; F352-R357 VanDerWaalsContact O-N 3.11Å
353	H	98.7	Very high	98.5	Very high	5 Å²	5	47 Å²	47	2%	0.023	24%	0.236	C	C	.	.	I	π-helix	trans	-65.9	-41.2	176.9	-70.2	147	0	0	0	113	M349 Q350 R351 R357 G358 W359 G363 Y364	M349-H353 WeakPolarHBondContact O-CB 3.23Å; M349-H353 PolarHBondContact O-N 3Å; M349-H353 PolarHBondContact O-ND1 3.31Å; M349-H353 VanDerWaalsContact O-ND1 3.11Å; Q350-H353 PolarHBondContact O-N 2.97Å; R351-H353 VanDerWaalsContact C-N 3.31Å; R351-H353 PolarHBondContact O-N 2.74Å; H353-R357 CarbonylContact O-C 3.47Å; H353-R357 WeakPolarHBondContact O-CB 3.36Å; H353-G358 PolarHBondContact O-N 3.46Å; H353-W359 HydrophobicContact CB-CD2 4.41Å; H353-W359 HydrophobicContact CB-CE3 3.72Å; H353-W359 HydrophobicContact CB-CZ3 4.4Å; H353-W359 AromaticContact CD2-CE3 3.51Å; H353-W359 AromaticContact CD2-CZ3 3.3Å; H353-W359 WeakPolarHBondContact CD2-CZ3 2.78Å; H353-W359 AromaticContact CG-CE3 3.57Å; H353-W359 AromaticContact CG-CZ3 3.75Å; H353-W359 AromaticContact NE2-CZ3 3.54Å; H353-W359 VanDerWaalsContact O-CB 3.3Å; H353-W359 WeakPolarHBondContact O-CB 3.47Å; H353-W359 PolarHBondContact O-N 2.96Å; H353-G363 PolarHBondContact ND1-N 3Å; H353-G363 VanDerWaalsContact ND1-N 3.18Å; H353-Y364 AromaticContact CE1-CE2 3.8Å
354	Q	98.5	Very high	98.5	Very high	5 Å²	5	48 Å²	48	2%	0.023	24%	0.24	C	C	.	.	I	π-helix	trans	-79.9	-44.3	-177	-74.4	-173.6	-36.5	0	0	113.5	P309 R311 Q350 R351 G358 W359 D360	P309-Q354 PolarHBondContact O-NE2 3.02Å; R311-Q354 PolarHBondContact NH1-O 3.47Å; Q350-Q354 HydrophobicContact CG-CG 4.41Å; Q350-Q354 WeakPolarHBondContact O-CB 3.19Å; Q350-Q354 PolarHBondContact O-N 2.94Å; R351-Q354 PolarHBondContact O-N 2.82Å; Q354-G358 WeakPolarHBondContact O-CA 3.43Å; Q354-G358 PolarHBondContact O-N 3.38Å; Q354-W359 WeakPolarHBondContact CA-O 3.42Å; Q354-W359 WeakPolarHBondContact CG-O 3.16Å; Q354-D360 PolarHBondContact NE2-O 3.21Å
355	E	98.1	Very high	98.5	Very high	114 Å²	114	46.2 Å²	46.2	53%	0.533	23%	0.225	S	C	.	.	I	π-helix	trans	-89	-45.9	-173.4	-51.3	-59.3	-176.5	0	0	112.2	R311 R351	R311-E355 IonicContact CZ-OE1 2.82Å; R311-E355 IonicContact CZ-OE2 3.61Å; R311-E355 IonicContact NH1-OE1 2.86Å; R311-E355 IonicContact NH1-OE2 3.15Å; R311-E355 PolarHBondContact NH1-OE2 3.41Å; R311-E355 IonicContact NH2-OE1 3.79Å; R311-E355 PolarHBondContact NH2-OE1 2.93Å; R311-E355 IonicContact NH2-OE2 3.45Å; R311-E355 PolarHBondContact NH2-OE2 3.37Å; R351-E355 HydrophobicContact CG-CG 3.93Å; R351-E355 WeakPolarHBondContact O-CB 3.22Å; R351-E355 WeakPolarHBondContact O-CG 3.4Å; R351-E355 PolarHBondContact O-N 3.22Å
356	D	97.9	Very high	98.5	Very high	117 Å²	117	45.7 Å²	45.7	63%	0.626	22%	0.223	S	C	*	.	I	π-helix	trans	-88.7	-32.4	-173.7	-55.7	-55.9	0	0	0	112.3	F352	F352-D356 WeakPolarHBondContact CA-OD2 3.5Å; F352-D356 HydrophobicContact CD2-CB 3.72Å; F352-D356 VanDerWaalsContact CD2-OD2 3.27Å; F352-D356 WeakPolarHBondContact CD2-OD2 3.29Å; F352-D356 HydrophobicContact CE2-CB 3.93Å; F352-D356 WeakPolarHBondContact O-CB 3.4Å; F352-D356 PolarHBondContact O-N 3.29Å; F352-D356 VanDerWaalsContact O-N 3.1Å
357	R	97.1	Very high	98.5	Very high	121 Å²	121	45.7 Å²	45.7	46%	0.457	22%	0.223	S	C	.	.	S	Bend	trans	-100	-8.8	176.9	-61.7	-165	175.3	162.9	-4.5	114.8	F352 H353 W359	F352-R357 HydrophobicContact CE1-CG 4.21Å; F352-R357 VanDerWaalsContact CE1-CZ 3.48Å; F352-R357 VanDerWaalsContact CE1-NE 3.31Å; F352-R357 HydrophobicContact CZ-CG 4.23Å; F352-R357 PolarHBondContact O-N 3.43Å; F352-R357 VanDerWaalsContact O-N 3.11Å; H353-R357 CarbonylContact O-C 3.47Å; H353-R357 WeakPolarHBondContact O-CB 3.36Å; R357-W359 VanDerWaalsContact C-N 3.26Å; R357-W359 HydrophobicContact CB-CD2 4.08Å; R357-W359 HydrophobicContact CB-CG 4.08Å; R357-W359 VanDerWaalsContact CD-CZ2 3.47Å; R357-W359 VanDerWaalsContact O-CD1 3.28Å; R357-W359 PolarHBondContact O-N 3.35Å
358	G	97.8	Very high	98.5	Very high	59 Å²	59	41.8 Å²	41.8	61%	0.608	21%	0.208	S	C	*	.			trans	64.7	26.3	-178.6	0	0	0	0	0	114.2	H353 Q354	H353-G358 PolarHBondContact O-N 3.46Å; Q354-G358 WeakPolarHBondContact O-CA 3.43Å; Q354-G358 PolarHBondContact O-N 3.38Å
359	W	98.1	Very high	98.5	Very high	71 Å²	71	39.7 Å²	39.7	27%	0.269	19%	0.191	S	C	.	.			trans	-82.3	159	176.9	-61.5	-7.1	0	0	0	111.3	H353 Q354 R357 D361 A385	H353-W359 HydrophobicContact CB-CD2 4.41Å; H353-W359 HydrophobicContact CB-CE3 3.72Å; H353-W359 HydrophobicContact CB-CZ3 4.4Å; H353-W359 AromaticContact CD2-CE3 3.51Å; H353-W359 AromaticContact CD2-CZ3 3.3Å; H353-W359 WeakPolarHBondContact CD2-CZ3 2.78Å; H353-W359 AromaticContact CG-CE3 3.57Å; H353-W359 AromaticContact CG-CZ3 3.75Å; H353-W359 AromaticContact NE2-CZ3 3.54Å; H353-W359 VanDerWaalsContact O-CB 3.3Å; H353-W359 WeakPolarHBondContact O-CB 3.47Å; H353-W359 PolarHBondContact O-N 2.96Å; Q354-W359 WeakPolarHBondContact CA-O 3.42Å; Q354-W359 WeakPolarHBondContact CG-O 3.16Å; R357-W359 VanDerWaalsContact C-N 3.26Å; R357-W359 HydrophobicContact CB-CD2 4.08Å; R357-W359 HydrophobicContact CB-CG 4.08Å; R357-W359 VanDerWaalsContact CD-CZ2 3.47Å; R357-W359 VanDerWaalsContact O-CD1 3.28Å; R357-W359 PolarHBondContact O-N 3.35Å; W359-D361 VanDerWaalsContact C-N 3.26Å; W359-D361 PolarHBondContact O-N 3.38Å; W359-A385 HydrophobicContact CD2-CB 4.04Å; W359-A385 HydrophobicContact CE3-CB 3.86Å; W359-A385 VanDerWaalsContact CH2-O 3.26Å; W359-A385 WeakPolarHBondContact CH2-O 3.43Å; W359-A385 HydrophobicContact CZ3-CB 4.13Å
360	D	98.1	Very high	98.4	Very high	63 Å²	63	39.6 Å²	39.6	34%	0.337	19%	0.191	S	C	.	.	S	Bend	trans	-66.8	-28.3	180	-66.3	-17	0	0	0	113.8	Y310 R311 Q354	Y310-D360 HydrophobicContact CD1-CB 4.14Å; Y310-D360 HydrophobicContact CD2-CB 4.42Å; Y310-D360 HydrophobicContact CE1-CB 3.5Å; Y310-D360 VanDerWaalsContact CE1-CB 3.5Å; Y310-D360 HydrophobicContact CE2-CB 3.84Å; Y310-D360 WeakPolarHBondContact OH-CB 3.39Å; Y310-D360 PolarHBondContact OH-OD2 2.97Å; R311-D360 PolarHBondContact N-O 3.42Å; R311-D360 WeakPolarHBondContact O-CB 3.43Å; Q354-D360 PolarHBondContact NE2-O 3.21Å
361	D	98.7	Very high	98.3	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.011	19%	0.191	C	C	.	.	S	Bend	trans	-167.4	176.7	-174.8	-168.5	22.4	0	0	0	110.2	R302 Y310 Q350 W359 G363 R378	R302-D361 IonicContact CZ-OD1 2.97Å; R302-D361 IonicContact CZ-OD2 2.65Å; R302-D361 IonicContact NH1-OD1 3.38Å; R302-D361 PolarHBondContact NH1-OD1 3.02Å; R302-D361 IonicContact NH1-OD2 3.87Å; R302-D361 PolarHBondContact NH1-OD2 3.16Å; R302-D361 VanDerWaalsContact NH2-CG 3.29Å; R302-D361 IonicContact NH2-OD1 3.82Å; R302-D361 PolarHBondContact NH2-OD1 3.38Å; R302-D361 IonicContact NH2-OD2 3.58Å; R302-D361 PolarHBondContact NH2-OD2 2.81Å; R302-D361 VanDerWaalsContact NH2-OD2 3.12Å; Y310-D361 HydrophobicContact CD2-CB 3.61Å; Y310-D361 HydrophobicContact CE2-CB 4.04Å; Y310-D361 HydrophobicContact CG-CB 4.36Å; Q350-D361 PolarHBondContact NE2-OD1 3.27Å; W359-D361 VanDerWaalsContact C-N 3.26Å; W359-D361 PolarHBondContact O-N 3.38Å; D361-G363 PolarHBondContact O-N 3.28Å; D361-R378 HydrophobicContact CB-CG 4.42Å; D361-R378 PolarHBondContact O-NH2 3.14Å
362	I	98.8	Very high	98.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.			trans	-46.3	136.1	169.5	-166	173.2	0	0	0	110.9	M346 M349 Q350 Y364 V367 R378	M346-I362 HydrophobicContact CE-CD1 3.66Å; M346-I362 HydrophobicContact SD-CD1 4.11Å; M349-I362 HydrophobicContact CB-CD1 4.08Å; M349-I362 HydrophobicContact CB-CG1 4.42Å; M349-I362 HydrophobicContact CE-CD1 4.44Å; Q350-I362 HydrophobicContact CB-CB 4.17Å; Q350-I362 HydrophobicContact CG-CB 4.27Å; I362-Y364 VanDerWaalsContact C-N 3.34Å; I362-Y364 HydrophobicContact CD1-CD2 4.28Å; I362-Y364 HydrophobicContact CG1-CD2 4.09Å; I362-Y364 PolarHBondContact O-N 3.33Å; I362-V367 HydrophobicContact CD1-CG2 4.2Å; I362-R378 VanDerWaalsContact O-CG 3.25Å; I362-R378 WeakPolarHBondContact O-CG 3.46Å; I362-R378 PolarHBondContact O-NE 2.87Å
363	G	98.4	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-69.9	-26.5	-170.1	0	0	0	0	0	115.2	H353 D361 A385 H386	H353-G363 PolarHBondContact ND1-N 3Å; H353-G363 VanDerWaalsContact ND1-N 3.18Å; D361-G363 PolarHBondContact O-N 3.28Å; G363-A385 CarbonylContact O-C 3.36Å; G363-A385 PolarHBondContact O-N 3.16Å; G363-H386 WeakPolarHBondContact O-CB 3.4Å; G363-H386 PolarHBondContact O-CD2 3.46Å; G363-H386 VanDerWaalsContact O-CD2 3.32Å; G363-H386 PolarHBondContact O-N 2.94Å; G363-H386 VanDerWaalsContact O-N 3.16Å
364	Y	98.9	Very high	98.2	Very high	25 Å²	25	28.4 Å²	28.4	10%	0.098	15%	0.146	C	C	.	.			trans	-87.6	151.4	-172.1	-45.4	-70.9	0	0	0	112.4	H327 M349 H353 I362 V367 R378 H386	H327-Y364 HydrophobicContact CB-CD1 4.43Å; H327-Y364 HydrophobicContact CB-CE1 3.97Å; H327-Y364 AromaticContact CG-CE1 3.96Å; M349-Y364 HydrophobicContact SD-CE2 4.09Å; H353-Y364 AromaticContact CE1-CE2 3.8Å; I362-Y364 VanDerWaalsContact C-N 3.34Å; I362-Y364 HydrophobicContact CD1-CD2 4.28Å; I362-Y364 HydrophobicContact CG1-CD2 4.09Å; I362-Y364 PolarHBondContact O-N 3.33Å; Y364-V367 HydrophobicContact CD2-CG2 3.82Å; Y364-V367 HydrophobicContact CG-CG2 4.23Å; Y364-R378 PolarHBondContact O-N 2.86Å; Y364-H386 HydrophobicContact CD1-CB 3.71Å; Y364-H386 HydrophobicContact CE1-CB 4.22Å
365	S	98.9	Very high	98.2	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.007	15%	0.145	C	C	.	.	S	Bend	trans	-69.3	-47.3	169.4	-52	0	0	0	0	110.1	G377 R378 G379 G396	S365-G377 CarbonylContact O-C 3.53Å; S365-G377 VanDerWaalsContact O-CA 3.29Å; S365-G377 WeakPolarHBondContact O-CA 3.18Å; S365-G377 PolarHBondContact O-N 3.5Å; S365-R378 PolarHBondContact O-N 3.48Å; S365-G379 PolarHBondContact O-N 2.92Å; S365-G396 WeakPolarHBondContact CB-O 3.49Å; S365-G396 PolarHBondContact N-O 2.87Å; S365-G396 PolarHBondContact OG-N 2.65Å; S365-G396 VanDerWaalsContact OG-N 3.16Å
366	F	98.9	Very high	98.3	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	158.1	178.1	-62.8	-79.1	0	0	0	111	I299 I374 Y375 E376 W380 Y395 G396 V397 S398 L420	I299-F366 HydrophobicContact CD1-CE1 4.22Å; I299-F366 HydrophobicContact CG2-CE1 4.42Å; F366-I374 HydrophobicContact CB-CG2 3.84Å; F366-I374 HydrophobicContact CD1-CG2 3.92Å; F366-I374 HydrophobicContact CG-CG2 4.18Å; F366-Y375 WeakPolarHBondContact CA-O 3.43Å; F366-E376 HydrophobicContact CE1-CG 4.37Å; F366-W380 HydrophobicContact CD2-CZ3 4.45Å; F366-W380 HydrophobicContact CE1-CD2 4.42Å; F366-W380 AromaticContact CE1-CE2 3.93Å; F366-W380 HydrophobicContact CE1-CZ2 4.11Å; F366-W380 AromaticContact CE1-NE1 3.98Å; F366-W380 AromaticContact CE2-CD2 3.73Å; F366-W380 HydrophobicContact CE2-CD2 3.73Å; F366-W380 AromaticContact CE2-CE2 3.9Å; F366-W380 AromaticContact CE2-CE3 3.54Å; F366-W380 HydrophobicContact CE2-CE3 3.54Å; F366-W380 HydrophobicContact CE2-CG 4.44Å; F366-W380 AromaticContact CE2-CH2 3.83Å; F366-W380 HydrophobicContact CE2-CH2 3.83Å; F366-W380 AromaticContact CE2-CZ2 3.99Å; F366-W380 HydrophobicContact CE2-CZ2 3.99Å; F366-W380 AromaticContact CE2-CZ3 3.57Å; F366-W380 HydrophobicContact CE2-CZ3 3.57Å; F366-W380 AromaticContact CZ-CD1 3.86Å; F366-W380 AromaticContact CZ-CD2 3.33Å; F366-W380 HydrophobicContact CZ-CD2 3.33Å; F366-W380 AromaticContact CZ-CE2 3.22Å; F366-W380 AromaticContact CZ-CE3 3.69Å; F366-W380 HydrophobicContact CZ-CE3 3.69Å; F366-W380 AromaticContact CZ-CG 3.79Å; F366-W380 HydrophobicContact CZ-CG 3.79Å; F366-W380 AromaticContact CZ-CH2 3.93Å; F366-W380 HydrophobicContact CZ-CH2 3.93Å; F366-W380 AromaticContact CZ-CZ2 3.58Å; F366-W380 HydrophobicContact CZ-CZ2 3.58Å; F366-W380 AromaticContact CZ-CZ3 3.96Å; F366-W380 HydrophobicContact CZ-CZ3 3.96Å; F366-W380 AromaticContact CZ-NE1 3.54Å; F366-Y395 HydrophobicContact CE2-CD1 4.46Å; F366-G396 PolarHBondContact N-O 3.26Å; F366-V397 HydrophobicContact CB-CG1 4.37Å; F366-V397 HydrophobicContact CB-CG2 4.36Å; F366-V397 WeakPolarHBondContact O-CA 3.22Å; F366-S398 PolarHBondContact O-N 2.88Å; F366-S398 VanDerWaalsContact O-N 3.09Å; F366-L420 HydrophobicContact CB-CD2 4.11Å; F366-L420 HydrophobicContact CD2-CD1 4.49Å; F366-L420 HydrophobicContact CD2-CD2 4.23Å; F366-L420 HydrophobicContact CG-CD1 4.42Å; F366-L420 HydrophobicContact CG-CD2 4.22Å
367	V	98.9	Very high	98.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.4	176.2	-179.4	0	0	0	0	109.6	M346 M349 I362 Y364 I374 Y375 S398 I400	M346-V367 HydrophobicContact CE-CB 4.18Å; M346-V367 HydrophobicContact CE-CG2 3.99Å; M346-V367 HydrophobicContact SD-CB 3.48Å; M346-V367 WeakPolarHBondContact SD-CB 3.33Å; M346-V367 HydrophobicContact SD-CG1 3.69Å; M346-V367 HydrophobicContact SD-CG2 3.63Å; M349-V367 HydrophobicContact CE-CG1 4.07Å; I362-V367 HydrophobicContact CD1-CG2 4.2Å; Y364-V367 HydrophobicContact CD2-CG2 3.82Å; Y364-V367 HydrophobicContact CG-CG2 4.23Å; V367-I374 CarbonylContact O-C 3.51Å; V367-Y375 PolarHBondContact N-O 3.11Å; V367-Y375 PolarHBondContact O-N 2.9Å; V367-S398 CarbonylContact C-O 3.46Å; V367-S398 WeakPolarHBondContact CA-O 3.44Å; V367-S398 WeakPolarHBondContact CG1-O 3.48Å; V367-I400 HydrophobicContact CG1-CD1 3.74Å; V367-I400 HydrophobicContact CG1-CG1 3.44Å; V367-I400 VanDerWaalsContact CG1-CG1 3.44Å
368	A	98.8	Very high	98.4	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.008	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	121.5	176.2	0	0	0	0	0	110.6	I374 S398 F399 I400 V416	A368-I374 HydrophobicContact CB-CD1 3.71Å; A368-S398 PolarHBondContact N-O 3.37Å; A368-F399 HydrophobicContact CB-CD1 3.77Å; A368-F399 HydrophobicContact CB-CE1 3.95Å; A368-F399 HydrophobicContact CB-CG 4.1Å; A368-F399 HydrophobicContact CB-CZ 4.41Å; A368-I400 PolarHBondContact O-N 3.4Å; A368-V416 HydrophobicContact CB-CG2 3.86Å
369	G	98.2	Very high	98.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.055	C	C	.	.			trans	-86.8	161.6	167.2	0	0	0	0	0	111.3	D371 Y373	G369-D371 VanDerWaalsContact C-N 3.31Å; G369-Y373 PolarHBondContact N-O 3.49Å
370	S	97.2	Very high	98.4	Very high	6 Å²	6	9.7 Å²	9.7	4%	0.042	5%	0.046	C	C	.	.	S	Bend	trans	-92.1	3.3	173.2	-63.2	0	0	0	0	112.9	C336 G372	C336-S370 CarbonylContact O-C 3.58Å; C336-S370 VanDerWaalsContact O-C 3.28Å; C336-S370 VanDerWaalsContact O-CA 3.28Å; C336-S370 WeakPolarHBondContact O-CA 3.49Å; C336-S370 VanDerWaalsContact O-CB 3.25Å; C336-S370 WeakPolarHBondContact O-CB 3.13Å; C336-S370 PolarHBondContact O-N 3.4Å; S370-G372 PolarHBondContact O-N 2.98Å
371	D	97.6	Very high	98.3	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.021	5%	0.053	C	C	.	.	S	Bend	trans	-79.5	0.5	172.2	65.5	-21.4	0	0	0	113.6	C336 C342 G369 Y373 Y375	C336-D371 PolarHBondContact O-N 2.95Å; C336-D371 VanDerWaalsContact O-N 3.15Å; C342-D371 PolarHBondContact SG-OD1 2.94Å; C342-D371 PolarHBondContact SG-OD2 3.31Å; G369-D371 VanDerWaalsContact C-N 3.31Å; D371-Y373 PolarHBondContact OD1-N 3.2Å; D371-Y375 PolarHBondContact OD2-OH 2.74Å
372	G	96.3	Very high	98.3	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.01	6%	0.061	C	C	.	.	S	Bend	trans	93.9	13.3	177.7	0	0	0	0	0	114.9	S370 L415	S370-G372 PolarHBondContact O-N 2.98Å; G372-L415 WeakPolarHBondContact O-CD1 3.27Å
373	Y	98.3	Very high	98.3	Very high	5 Å²	5	15.2 Å²	15.2	2%	0.02	7%	0.074	C	C	.	.			trans	-125.6	152.4	-177.5	-70.3	-86.7	0	0	0	113.6	D109 T111 Q235 P298 I300 G369 D371	D109-Y373 HydrophobicContact CB-CE2 3.85Å; D109-Y373 VanDerWaalsContact CG-OH 3.23Å; D109-Y373 WeakPolarHBondContact O-CE2 3.25Å; D109-Y373 PolarHBondContact OD2-OH 3.17Å; T111-Y373 HydrophobicContact CG2-CE1 3.52Å; T111-Y373 WeakPolarHBondContact CG2-OH 3.38Å; Q235-Y373 HydrophobicContact CB-CE2 4.25Å; Q235-Y373 HydrophobicContact CG-CE2 3.93Å; P298-Y373 HydrophobicContact CB-CD1 3.57Å; P298-Y373 HydrophobicContact CB-CE1 3.54Å; P298-Y373 HydrophobicContact CG-CD1 3.71Å; P298-Y373 HydrophobicContact CG-CE1 3.85Å; I300-Y373 HydrophobicContact CD1-CD1 3.82Å; I300-Y373 HydrophobicContact CD1-CE1 4.27Å; I300-Y373 HydrophobicContact CD1-CG 4.21Å; I300-Y373 HydrophobicContact CG1-CD1 3.98Å; I300-Y373 HydrophobicContact CG1-CG 4.04Å; G369-Y373 PolarHBondContact N-O 3.49Å; D371-Y373 PolarHBondContact OD1-N 3.2Å
374	I	98.8	Very high	98.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	138.4	164.6	-58.3	-58.4	0	0	0	108.1	P297 P298 I299 I300 F366 V367 A368 L415 V416 L420	P297-I374 HydrophobicContact CB-CG1 3.99Å; P297-I374 HydrophobicContact CG-CG1 4.09Å; P298-I374 PolarHBondContact O-N 3.28Å; I299-I374 CarbonylContact C-O 3.58Å; I299-I374 WeakPolarHBondContact CA-O 3.33Å; I299-I374 HydrophobicContact CG1-CB 4.16Å; I299-I374 HydrophobicContact CG1-CG2 4.32Å; I300-I374 PolarHBondContact N-O 2.83Å; F366-I374 HydrophobicContact CB-CG2 3.84Å; F366-I374 HydrophobicContact CD1-CG2 3.92Å; F366-I374 HydrophobicContact CG-CG2 4.18Å; V367-I374 CarbonylContact O-C 3.51Å; A368-I374 HydrophobicContact CB-CD1 3.71Å; I374-L415 HydrophobicContact CD1-CB 3.99Å; I374-L415 HydrophobicContact CD1-CD1 4.43Å; I374-L415 HydrophobicContact CG1-CB 4.34Å; I374-V416 HydrophobicContact CD1-CG2 3.83Å; I374-L420 HydrophobicContact CG2-CD1 4.29Å; I374-L420 HydrophobicContact CG2-CD2 4.48Å
375	Y	98.9	Very high	98.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.3	177.3	-70.8	-101.5	0	0	0	109.5	I300 W305 F339 C342 M346 F366 V367 D371 G377	I300-Y375 HydrophobicContact CB-CD1 3.83Å; I300-Y375 HydrophobicContact CB-CE1 3.89Å; I300-Y375 HydrophobicContact CB-CG 4.34Å; I300-Y375 HydrophobicContact CG1-CD1 4.4Å; I300-Y375 HydrophobicContact CG1-CE1 4.05Å; I300-Y375 HydrophobicContact CG2-CD1 3.87Å; I300-Y375 HydrophobicContact CG2-CE1 3.78Å; W305-Y375 HydrophobicContact CB-CD1 3.93Å; W305-Y375 HydrophobicContact CB-CE1 4.12Å; W305-Y375 AromaticContact CD1-CD1 3.91Å; W305-Y375 HydrophobicContact CG-CD1 4.1Å; F339-Y375 HydrophobicContact CD2-CE1 4.38Å; C342-Y375 HydrophobicContact CB-CE1 4.11Å; C342-Y375 HydrophobicContact CB-CE2 3.6Å; C342-Y375 WeakPolarHBondContact CB-OH 3.29Å; M346-Y375 HydrophobicContact CG-CD1 3.85Å; M346-Y375 HydrophobicContact CG-CG 3.96Å; M346-Y375 HydrophobicContact SD-CG 4.33Å; F366-Y375 WeakPolarHBondContact CA-O 3.43Å; V367-Y375 PolarHBondContact N-O 3.11Å; V367-Y375 PolarHBondContact O-N 2.9Å; D371-Y375 PolarHBondContact OD2-OH 2.74Å; Y375-G377 PolarHBondContact O-N 2.73Å
376	E	98.8	Very high	98.2	Very high	51 Å²	51	15.6 Å²	15.6	24%	0.238	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	116.9	176.1	-174.9	179	-149.6	0	0	110.3	I299 I300 S301 R302 W305 F366	I299-E376 HydrophobicContact CG2-CB 3.97Å; I300-E376 WeakPolarHBondContact O-CB 3.44Å; I300-E376 PolarHBondContact O-N 2.78Å; S301-E376 WeakPolarHBondContact CA-OE2 3.34Å; R302-E376 HydrophobicContact CG-CB 4.25Å; R302-E376 HydrophobicContact CG-CG 3.95Å; R302-E376 PolarHBondContact N-OE2 2.75Å; W305-E376 VanDerWaalsContact CZ2-O 3.3Å; W305-E376 WeakPolarHBondContact CZ2-O 3.4Å; W305-E376 PolarHBondContact NE1-O 3.29Å; F366-E376 HydrophobicContact CE1-CG 4.37Å
377	G	98.8	Very high	98.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-87.5	-115.6	167.2	0	0	0	0	0	109.6	R302 S365 Y375 G379	R302-G377 WeakPolarHBondContact CD-O 3.21Å; R302-G377 PolarHBondContact NH1-O 3.15Å; S365-G377 CarbonylContact O-C 3.53Å; S365-G377 VanDerWaalsContact O-CA 3.29Å; S365-G377 WeakPolarHBondContact O-CA 3.18Å; S365-G377 PolarHBondContact O-N 3.5Å; Y375-G377 PolarHBondContact O-N 2.73Å; G377-G379 PolarHBondContact O-N 2.92Å
378	R	98.6	Very high	98	Very high	22 Å²	22	25.1 Å²	25.1	8%	0.083	12%	0.117	C	C	.	.	S	Bend	trans	-71.9	-12.6	171	-58	-163.1	-171	-158.6	-12.1	113.7	D361 I362 Y364 S365 I382 Q383	D361-R378 HydrophobicContact CB-CG 4.42Å; D361-R378 PolarHBondContact O-NH2 3.14Å; I362-R378 VanDerWaalsContact O-CG 3.25Å; I362-R378 WeakPolarHBondContact O-CG 3.46Å; I362-R378 PolarHBondContact O-NE 2.87Å; Y364-R378 PolarHBondContact O-N 2.86Å; S365-R378 PolarHBondContact O-N 3.48Å; R378-I382 HydrophobicContact CB-CB 4.26Å; R378-I382 HydrophobicContact CB-CG2 4.3Å; R378-I382 WeakPolarHBondContact O-CB 3.06Å; R378-Q383 WeakPolarHBondContact CD-O 3.46Å; R378-Q383 PolarHBondContact NH1-O 3.06Å
379	G	98.1	Very high	97.8	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.01	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-155.4	172.6	0	0	0	0	0	113.8	S365 G377	S365-G379 PolarHBondContact O-N 2.92Å; G377-G379 PolarHBondContact O-N 2.92Å
380	W	97.6	Very high	97.8	Very high	21 Å²	21	29.7 Å²	29.7	8%	0.08	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-34.5	-168.5	-63	107.7	0	0	0	114.1	I299 L317 F366 Y395 L420 A424 R427	I299-W380 HydrophobicContact CD1-CZ2 3.7Å; L317-W380 WeakPolarHBondContact CD1-O 3.38Å; F366-W380 HydrophobicContact CD2-CZ3 4.45Å; F366-W380 HydrophobicContact CE1-CD2 4.42Å; F366-W380 AromaticContact CE1-CE2 3.93Å; F366-W380 HydrophobicContact CE1-CZ2 4.11Å; F366-W380 AromaticContact CE1-NE1 3.98Å; F366-W380 AromaticContact CE2-CD2 3.73Å; F366-W380 HydrophobicContact CE2-CD2 3.73Å; F366-W380 AromaticContact CE2-CE2 3.9Å; F366-W380 AromaticContact CE2-CE3 3.54Å; F366-W380 HydrophobicContact CE2-CE3 3.54Å; F366-W380 HydrophobicContact CE2-CG 4.44Å; F366-W380 AromaticContact CE2-CH2 3.83Å; F366-W380 HydrophobicContact CE2-CH2 3.83Å; F366-W380 AromaticContact CE2-CZ2 3.99Å; F366-W380 HydrophobicContact CE2-CZ2 3.99Å; F366-W380 AromaticContact CE2-CZ3 3.57Å; F366-W380 HydrophobicContact CE2-CZ3 3.57Å; F366-W380 AromaticContact CZ-CD1 3.86Å; F366-W380 AromaticContact CZ-CD2 3.33Å; F366-W380 HydrophobicContact CZ-CD2 3.33Å; F366-W380 AromaticContact CZ-CE2 3.22Å; F366-W380 AromaticContact CZ-CE3 3.69Å; F366-W380 HydrophobicContact CZ-CE3 3.69Å; F366-W380 AromaticContact CZ-CG 3.79Å; F366-W380 HydrophobicContact CZ-CG 3.79Å; F366-W380 AromaticContact CZ-CH2 3.93Å; F366-W380 HydrophobicContact CZ-CH2 3.93Å; F366-W380 AromaticContact CZ-CZ2 3.58Å; F366-W380 HydrophobicContact CZ-CZ2 3.58Å; F366-W380 AromaticContact CZ-CZ3 3.96Å; F366-W380 HydrophobicContact CZ-CZ3 3.96Å; F366-W380 AromaticContact CZ-NE1 3.54Å; W380-Y395 HydrophobicContact CE3-CE1 4.05Å; W380-Y395 HydrophobicContact CE3-CE2 4.28Å; W380-Y395 AromaticContact CE3-CZ 3.83Å; W380-Y395 HydrophobicContact CZ3-CE2 4.33Å; W380-Y395 VanDerWaalsContact O-CE1 3.28Å; W380-Y395 WeakPolarHBondContact O-CE1 3.4Å; W380-Y395 PolarHBondContact O-OH 3.39Å; W380-Y395 VanDerWaalsContact O-OH 3.07Å; W380-L420 HydrophobicContact CH2-CD1 3.46Å; W380-L420 VanDerWaalsContact CH2-CD1 3.46Å; W380-L420 HydrophobicContact CH2-CG 4.08Å; W380-L420 HydrophobicContact CZ2-CD1 3.81Å; W380-A424 HydrophobicContact CH2-CB 4.17Å; W380-A424 HydrophobicContact CZ3-CB 3.63Å; W380-R427 VanDerWaalsContact CD1-NH1 3.29Å; W380-R427 VanDerWaalsContact NE1-NH1 3.12Å
381	D	97.7	Very high	97.8	Very high	88 Å²	88	30.8 Å²	30.8	47%	0.471	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-9.4	-163.7	-55	-60.1	0	0	0	113	S316 L317	S316-D381 CarbonylContact C-O 3.56Å; S316-D381 WeakPolarHBondContact CA-O 3.46Å; L317-D381 PolarHBondContact N-O 2.99Å
382	I	98.4	Very high	97.9	Very high	38 Å²	38	33.4 Å²	33.4	20%	0.195	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-110.6	135.9	-173.8	-54.8	-52.8	0	0	0	111.5	Y310 P314 L317 R378 G384	Y310-I382 HydrophobicContact CE2-CG2 4Å; P314-I382 HydrophobicContact CB-CD1 3.64Å; P314-I382 HydrophobicContact CB-CG1 4.24Å; P314-I382 HydrophobicContact CB-CG2 3.91Å; L317-I382 WeakPolarHBondContact CD1-O 3.46Å; R378-I382 HydrophobicContact CB-CB 4.26Å; R378-I382 HydrophobicContact CB-CG2 4.3Å; R378-I382 WeakPolarHBondContact O-CB 3.06Å; I382-G384 PolarHBondContact O-N 3.18Å
383	Q	98.4	Very high	97.9	Very high	55 Å²	55	37.9 Å²	37.9	26%	0.257	20%	0.196	S	C	.	.			trans	-62.9	132	179.7	-169.7	-172.9	-71.9	0	0	112.3	T315 L317 R378 N391	T315-Q383 HydrophobicContact CG2-CB 4.26Å; T315-Q383 WeakPolarHBondContact O-CB 3.46Å; T315-Q383 PolarHBondContact O-N 2.94Å; L317-Q383 HydrophobicContact CD2-CB 4.12Å; L317-Q383 HydrophobicContact CD2-CG 4.25Å; L317-Q383 HydrophobicContact CG-CB 4.41Å; R378-Q383 WeakPolarHBondContact CD-O 3.46Å; R378-Q383 PolarHBondContact NH1-O 3.06Å; Q383-N391 HydrophobicContact CG-CB 4.01Å; Q383-N391 WeakPolarHBondContact CG-O 3.26Å
384	G	97.8	Very high	97.9	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.021	20%	0.195	C	C	.	.			trans	-66.7	176.9	174	0	0	0	0	0	115.7	I382 N391	I382-G384 PolarHBondContact O-N 3.18Å; G384-N391 VanDerWaalsContact O-CB 3.31Å; G384-N391 WeakPolarHBondContact O-CB 3.44Å
385	A	97.9	Very high	97.9	Very high	20 Å²	20	37.8 Å²	37.8	17%	0.165	20%	0.196	C	C	.	.	S	Bend	trans	-131.4	24.1	163.8	0	0	0	0	0	111.9	W359 G363 N391	W359-A385 HydrophobicContact CD2-CB 4.04Å; W359-A385 HydrophobicContact CE3-CB 3.86Å; W359-A385 VanDerWaalsContact CH2-O 3.26Å; W359-A385 WeakPolarHBondContact CH2-O 3.43Å; W359-A385 HydrophobicContact CZ3-CB 4.13Å; G363-A385 CarbonylContact O-C 3.36Å; G363-A385 PolarHBondContact O-N 3.16Å; A385-N391 VanDerWaalsContact C-OD1 3.28Å; A385-N391 WeakPolarHBondContact CA-OD1 3.31Å
386	H	97.9	Very high	97.9	Very high	11 Å²	11	37.8 Å²	37.8	5%	0.051	20%	0.196	C	C	.	.	S	Bend	trans	-86	-31.8	-170	52.5	75.3	0	0	0	114.7	F325 H327 G363 Y364 N391 G394 G396 H439	F325-H386 AromaticContact CD2-CE1 3.9Å; H327-H386 PolarHBondContact CE1-O 3.32Å; H327-H386 AromaticContact NE2-ND1 3.69Å; G363-H386 WeakPolarHBondContact O-CB 3.4Å; G363-H386 PolarHBondContact O-CD2 3.46Å; G363-H386 VanDerWaalsContact O-CD2 3.32Å; G363-H386 PolarHBondContact O-N 2.94Å; G363-H386 VanDerWaalsContact O-N 3.16Å; Y364-H386 HydrophobicContact CD1-CB 3.71Å; Y364-H386 HydrophobicContact CE1-CB 4.22Å; H386-N391 PolarHBondContact N-OD1 2.82Å; H386-G394 PolarHBondContact NE2-O 3.38Å; H386-G396 VanDerWaalsContact CE1-CA 3.49Å; H386-G396 WeakPolarHBondContact CE1-CA 3.47Å; H386-G396 PolarHBondContact CE1-N 3.14Å; H386-G396 WeakPolarHBondContact NE2-CA 3.49Å; H386-G396 PolarHBondContact NE2-N 2.88Å; H386-H439 PolarHBondContact O-CE1 3.48Å; H386-H439 PolarHBondContact O-NE2 3.16Å
387	T	97.6	Very high	97.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-134.3	102.2	-173.2	-53.5	0	0	0	0	109.5	F325 H327 G389 Q390 N391 V442 V443	F325-T387 HydrophobicContact CD1-CG2 4.27Å; F325-T387 HydrophobicContact CE1-CG2 4.39Å; F325-T387 HydrophobicContact CG-CG2 4.41Å; H327-T387 PolarHBondContact CE1-OG1 2.63Å; H327-T387 PolarHBondContact NE2-OG1 3.48Å; H327-T387 VanDerWaalsContact NE2-OG1 3.16Å; T387-G389 PolarHBondContact O-N 3.07Å; T387-Q390 HydrophobicContact CG2-CB 3.75Å; T387-Q390 HydrophobicContact CG2-CG 3.88Å; T387-Q390 PolarHBondContact O-N 2.94Å; T387-N391 PolarHBondContact N-OD1 3.25Å; T387-N391 VanDerWaalsContact O-CG 3.31Å; T387-N391 PolarHBondContact O-N 3.03Å; T387-N391 VanDerWaalsContact O-N 3.13Å; T387-N391 PolarHBondContact O-OD1 2.97Å; T387-N391 VanDerWaalsContact O-OD1 3.07Å; T387-V442 HydrophobicContact CG2-CG2 3.35Å; T387-V443 HydrophobicContact CG2-CG2 4.06Å
388	Y	95.6	Very high	97.9	Very high	201 Å²	201	35.4 Å²	35.4	79%	0.788	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	131.7	-177.2	-176.3	-97	0	0	0	111.8	Q390	Y388-Q390 PolarHBondContact O-N 3.11Å
389	G	95.9	Very high	97.9	Very high	52 Å²	52	34.4 Å²	34.4	54%	0.536	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	-7	-176.8	0	0	0	0	0	116.1	T387	T387-G389 PolarHBondContact O-N 3.07Å
390	Q	97.4	Very high	98	Very high	45 Å²	45	34.3 Å²	34.3	21%	0.21	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-4	-177.2	-51.1	-60.1	-18.3	0	0	114.6	F325 T387 Y388 S392 K393 V442	F325-Q390 HydrophobicContact CE1-CB 4.34Å; F325-Q390 HydrophobicContact CE1-CG 4.43Å; F325-Q390 HydrophobicContact CE2-CB 3.68Å; F325-Q390 HydrophobicContact CZ-CB 3.52Å; F325-Q390 HydrophobicContact CZ-CG 3.94Å; T387-Q390 HydrophobicContact CG2-CB 3.75Å; T387-Q390 HydrophobicContact CG2-CG 3.88Å; T387-Q390 PolarHBondContact O-N 2.94Å; Y388-Q390 PolarHBondContact O-N 3.11Å; Q390-S392 PolarHBondContact O-N 3.15Å; Q390-K393 PolarHBondContact O-N 3.36Å; Q390-V442 HydrophobicContact CG-CB 4.28Å; Q390-V442 HydrophobicContact CG-CG2 4.21Å
391	N	98.1	Very high	98	Very high	29 Å²	29	33.3 Å²	33.3	16%	0.155	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-32.8	-176	-69.9	-36.6	0	0	0	115.2	Q383 G384 A385 H386 T387 K393	Q383-N391 HydrophobicContact CG-CB 4.01Å; Q383-N391 WeakPolarHBondContact CG-O 3.26Å; G384-N391 VanDerWaalsContact O-CB 3.31Å; G384-N391 WeakPolarHBondContact O-CB 3.44Å; A385-N391 VanDerWaalsContact C-OD1 3.28Å; A385-N391 WeakPolarHBondContact CA-OD1 3.31Å; H386-N391 PolarHBondContact N-OD1 2.82Å; T387-N391 PolarHBondContact N-OD1 3.25Å; T387-N391 VanDerWaalsContact O-CG 3.31Å; T387-N391 PolarHBondContact O-N 3.03Å; T387-N391 VanDerWaalsContact O-N 3.13Å; T387-N391 PolarHBondContact O-OD1 2.97Å; T387-N391 VanDerWaalsContact O-OD1 3.07Å; N391-K393 VanDerWaalsContact C-N 3.33Å
392	S	98.1	Very high	98	Very high	60 Å²	60	31.3 Å²	31.3	42%	0.42	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.7	179.2	58.7	0	0	0	0	114.5	Q390	Q390-S392 PolarHBondContact O-N 3.15Å
393	K	97.9	Very high	98	Very high	94 Å²	94	29.7 Å²	29.7	41%	0.409	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-3.6	-169.5	-57.2	-177.1	-173.9	166.6	0	114	P322 F323 Q390 N391	P322-K393 WeakPolarHBondContact CD-O 3.45Å; P322-K393 WeakPolarHBondContact CG-O 3.28Å; F323-K393 HydrophobicContact CD2-CB 3.97Å; F323-K393 WeakPolarHBondContact CD2-O 3.43Å; F323-K393 HydrophobicContact CE2-CB 4.49Å; F323-K393 PolarHBondContact N-O 3.19Å; Q390-K393 PolarHBondContact O-N 3.36Å; N391-K393 VanDerWaalsContact C-N 3.33Å
394	G	97.9	Very high	98	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	158	-178.5	0	0	0	0	0	113.7	F323 H386	F323-G394 CarbonylContact O-C 3.58Å; F323-G394 WeakPolarHBondContact O-CA 3.42Å; H386-G394 PolarHBondContact NE2-O 3.38Å
395	Y	98.9	Very high	98.1	Very high	3 Å²	3	35 Å²	35	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	135.2	169.3	-65.1	-62.6	0	0	0	109.7	L317 L319 L321 F323 F325 F366 W380 A424 G429 L430	L317-Y395 HydrophobicContact CD1-CE1 4.02Å; L319-Y395 WeakPolarHBondContact CD2-OH 3.47Å; L321-Y395 HydrophobicContact CD1-CD1 3.9Å; L321-Y395 HydrophobicContact CD1-CD2 3.93Å; L321-Y395 HydrophobicContact CD1-CE1 3.79Å; L321-Y395 HydrophobicContact CD1-CE2 3.8Å; L321-Y395 HydrophobicContact CD1-CG 3.97Å; L321-Y395 HydrophobicContact CG-CE2 4.4Å; F323-Y395 PolarHBondContact O-N 3.18Å; F323-Y395 VanDerWaalsContact O-N 3.16Å; F325-Y395 PolarHBondContact N-O 3.16Å; F366-Y395 HydrophobicContact CE2-CD1 4.46Å; W380-Y395 HydrophobicContact CE3-CE1 4.05Å; W380-Y395 HydrophobicContact CE3-CE2 4.28Å; W380-Y395 AromaticContact CE3-CZ 3.83Å; W380-Y395 HydrophobicContact CZ3-CE2 4.33Å; W380-Y395 VanDerWaalsContact O-CE1 3.28Å; W380-Y395 WeakPolarHBondContact O-CE1 3.4Å; W380-Y395 PolarHBondContact O-OH 3.39Å; W380-Y395 VanDerWaalsContact O-OH 3.07Å; Y395-A424 HydrophobicContact CE2-CB 4.2Å; Y395-G429 VanDerWaalsContact CE2-O 3.3Å; Y395-G429 WeakPolarHBondContact CE2-O 3.37Å; Y395-G429 WeakPolarHBondContact OH-CA 3.32Å; Y395-G429 PolarHBondContact OH-O 3.33Å; Y395-L430 HydrophobicContact CD2-CD1 4.23Å; Y395-L430 HydrophobicContact CE2-CB 4.34Å
396	G	98.8	Very high	98	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	119.6	169.4	0	0	0	0	0	110.3	F325 S365 F366 H386	F325-G396 WeakPolarHBondContact O-CA 3.45Å; S365-G396 WeakPolarHBondContact CB-O 3.49Å; S365-G396 PolarHBondContact N-O 2.87Å; S365-G396 PolarHBondContact OG-N 2.65Å; S365-G396 VanDerWaalsContact OG-N 3.16Å; F366-G396 PolarHBondContact N-O 3.26Å; H386-G396 VanDerWaalsContact CE1-CA 3.49Å; H386-G396 WeakPolarHBondContact CE1-CA 3.47Å; H386-G396 PolarHBondContact CE1-N 3.14Å; H386-G396 WeakPolarHBondContact NE2-CA 3.49Å; H386-G396 PolarHBondContact NE2-N 2.88Å
397	V	98.9	Very high	98	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	117.9	178.8	-172	0	0	0	0	109.3	L324 F325 H327 F366 V416 L420	L324-V397 HydrophobicContact CD1-CG2 3.66Å; F325-V397 PolarHBondContact O-N 3.09Å; H327-V397 PolarHBondContact N-O 2.76Å; F366-V397 HydrophobicContact CB-CG1 4.37Å; F366-V397 HydrophobicContact CB-CG2 4.36Å; F366-V397 WeakPolarHBondContact O-CA 3.22Å; V397-V416 HydrophobicContact CB-CG1 4.23Å; V397-V416 HydrophobicContact CG1-CB 4.47Å; V397-V416 HydrophobicContact CG1-CG1 3.8Å; V397-V416 HydrophobicContact CG1-CG2 3.77Å; V397-L420 HydrophobicContact CG1-CD2 4.07Å; V397-L420 HydrophobicContact CG2-CD2 3.78Å
398	S	98.8	Very high	98	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	142.1	178.8	-165.1	0	0	0	0	112	H327 H328 T329 F366 V367 A368	H327-S398 WeakPolarHBondContact O-CA 3.02Å; H328-S398 VanDerWaalsContact C-OG 3.23Å; T329-S398 WeakPolarHBondContact CG2-OG 3.14Å; T329-S398 PolarHBondContact N-OG 2.03Å; F366-S398 PolarHBondContact O-N 2.88Å; F366-S398 VanDerWaalsContact O-N 3.09Å; V367-S398 CarbonylContact C-O 3.46Å; V367-S398 WeakPolarHBondContact CA-O 3.44Å; V367-S398 WeakPolarHBondContact CG1-O 3.48Å; A368-S398 PolarHBondContact N-O 3.37Å
399	F	98.9	Very high	98	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	130	170.8	-70.7	-110.1	0	0	0	109.4	I326 H327 H328 T329 A368 G401 Y403 P408 A412 M413 V416 F452	I326-F399 HydrophobicContact CG2-CD2 4.27Å; I326-F399 HydrophobicContact CG2-CE2 4.07Å; H327-F399 PolarHBondContact O-N 3.31Å; H328-F399 WeakPolarHBondContact CA-O 3.31Å; T329-F399 PolarHBondContact N-O 3.33Å; T329-F399 PolarHBondContact OG1-O 2.88Å; A368-F399 HydrophobicContact CB-CD1 3.77Å; A368-F399 HydrophobicContact CB-CE1 3.95Å; A368-F399 HydrophobicContact CB-CG 4.1Å; A368-F399 HydrophobicContact CB-CZ 4.41Å; F399-G401 PolarHBondContact O-N 2.97Å; F399-G401 VanDerWaalsContact O-N 3.12Å; F399-Y403 HydrophobicContact CB-CD2 4.26Å; F399-Y403 HydrophobicContact CB-CE2 3.51Å; F399-P408 HydrophobicContact CB-CG 4.41Å; F399-P408 HydrophobicContact CD1-CB 3.73Å; F399-P408 HydrophobicContact CD1-CG 3.86Å; F399-P408 HydrophobicContact CE1-CB 4.2Å; F399-P408 HydrophobicContact CE1-CG 4.36Å; F399-P408 HydrophobicContact CG-CG 4.24Å; F399-A412 HydrophobicContact CD1-CB 4.25Å; F399-A412 HydrophobicContact CE1-CB 4.08Å; F399-M413 HydrophobicContact CE1-CG 4.17Å; F399-V416 HydrophobicContact CE1-CG2 4.05Å; F399-V416 HydrophobicContact CE2-CB 4.17Å; F399-V416 HydrophobicContact CE2-CG1 4.17Å; F399-V416 HydrophobicContact CE2-CG2 3.88Å; F399-V416 HydrophobicContact CZ-CB 3.64Å; F399-V416 HydrophobicContact CZ-CG1 4.13Å; F399-V416 HydrophobicContact CZ-CG2 3.41Å; F399-V416 VanDerWaalsContact CZ-CG2 3.41Å; F399-F452 HydrophobicContact CB-CE1 4.34Å; F399-F452 HydrophobicContact CD1-CE1 4.47Å; F399-F452 HydrophobicContact CD1-CZ 4.33Å; F399-F452 AromaticContact CD2-CE1 3.46Å; F399-F452 HydrophobicContact CD2-CE1 3.46Å; F399-F452 VanDerWaalsContact CD2-CE1 3.46Å; F399-F452 AromaticContact CD2-CZ 3.66Å; F399-F452 HydrophobicContact CD2-CZ 3.66Å; F399-F452 HydrophobicContact CE1-CZ 4.14Å; F399-F452 AromaticContact CE2-CE1 3.77Å; F399-F452 HydrophobicContact CE2-CE1 3.77Å; F399-F452 AromaticContact CE2-CZ 3.47Å; F399-F452 HydrophobicContact CE2-CZ 3.47Å; F399-F452 VanDerWaalsContact CE2-CZ 3.47Å; F399-F452 AromaticContact CG-CE1 3.85Å; F399-F452 HydrophobicContact CG-CE1 3.85Å; F399-F452 HydrophobicContact CG-CZ 4.09Å; F399-F452 HydrophobicContact CZ-CE1 4.36Å; F399-F452 AromaticContact CZ-CZ 3.7Å; F399-F452 HydrophobicContact CZ-CZ 3.7Å
400	I	98.8	Very high	98.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-70.4	107.3	177.8	-61.8	171	0	0	0	109	T329 P332 C336 D345 M349 V367 A368 Y403	T329-I400 HydrophobicContact CG2-CG1 4.22Å; T329-I400 WeakPolarHBondContact OG1-CA 3.44Å; P332-I400 HydrophobicContact CB-CG2 4.36Å; C336-I400 HydrophobicContact CB-CG2 4.26Å; C336-I400 WeakPolarHBondContact SG-CD1 3.3Å; D345-I400 HydrophobicContact CB-CD1 4.18Å; D345-I400 HydrophobicContact CB-CG2 4.31Å; M349-I400 HydrophobicContact CE-CD1 4.27Å; M349-I400 HydrophobicContact CE-CG1 4.11Å; V367-I400 HydrophobicContact CG1-CD1 3.74Å; V367-I400 HydrophobicContact CG1-CG1 3.44Å; V367-I400 VanDerWaalsContact CG1-CG1 3.44Å; A368-I400 PolarHBondContact O-N 3.4Å; I400-Y403 PolarHBondContact O-OH 3.32Å
401	G	98.3	Very high	98.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	152.5	174.8	177	0	0	0	0	0	113.3	T329 H330 S333 F399	T329-G401 PolarHBondContact N-O 3.36Å; T329-G401 PolarHBondContact OG1-N 3.02Å; T329-G401 PolarHBondContact OG1-O 2.82Å; H330-G401 PolarHBondContact N-O 2.66Å; S333-G401 CarbonylContact O-C 3.57Å; S333-G401 VanDerWaalsContact O-CA 3.31Å; S333-G401 WeakPolarHBondContact O-CA 3.31Å; F399-G401 PolarHBondContact O-N 2.97Å; F399-G401 VanDerWaalsContact O-N 3.12Å
402	D	98.5	Very high	98.1	Very high	46 Å²	46	35.8 Å²	35.8	25%	0.246	19%	0.191	C	C	.	.			trans	-103.2	126.7	164	-169.1	-6	0	0	0	110.1	H328 H330 S333 Q404	H328-D402 IonicContact CE1-OD1 3.75Å; H328-D402 PolarHBondContact CE1-OD1 2.68Å; H328-D402 IonicContact ND1-OD1 3.62Å; H330-D402 IonicContact CE1-OD2 2.68Å; H330-D402 PolarHBondContact CE1-OD2 2.71Å; H330-D402 IonicContact ND1-OD1 2.73Å; H330-D402 IonicContact ND1-OD2 2.66Å; H330-D402 PolarHBondContact ND1-OD2 2.71Å; S333-D402 PolarHBondContact O-N 3.01Å; D402-Q404 VanDerWaalsContact OD1-CG 3.22Å; D402-Q404 WeakPolarHBondContact OD1-CG 3.48Å; D402-Q404 PolarHBondContact OD1-N 3.1Å; D402-Q404 VanDerWaalsContact OD1-N 3.11Å
403	Y	98.5	Very high	98.1	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.016	17%	0.173	C	C	.	.			trans	-128.2	31.1	-172.1	-57.3	-63.4	0	0	0	111.9	H328 F399 I400 N406 L407 P408 G449 A451 F452	H328-Y403 HydrophobicContact CB-CD2 3.64Å; H328-Y403 HydrophobicContact CB-CE2 4.3Å; H328-Y403 PolarHBondContact ND1-N 3.28Å; F399-Y403 HydrophobicContact CB-CD2 4.26Å; F399-Y403 HydrophobicContact CB-CE2 3.51Å; I400-Y403 PolarHBondContact O-OH 3.32Å; Y403-N406 CarbonylContact C-O 3.59Å; Y403-N406 VanDerWaalsContact CA-O 3.25Å; Y403-N406 WeakPolarHBondContact CA-O 3.46Å; Y403-N406 VanDerWaalsContact CB-O 3.27Å; Y403-N406 WeakPolarHBondContact CB-O 3.44Å; Y403-N406 WeakPolarHBondContact CD1-O 3.45Å; Y403-L407 VanDerWaalsContact CD1-C 3.48Å; Y403-P408 HydrophobicContact CD1-CB 4.42Å; Y403-P408 HydrophobicContact CD1-CG 3.89Å; Y403-P408 VanDerWaalsContact CD1-N 3.34Å; Y403-P408 HydrophobicContact CD2-CG 3.87Å; Y403-P408 HydrophobicContact CE1-CB 3.82Å; Y403-P408 HydrophobicContact CE1-CG 3.75Å; Y403-P408 VanDerWaalsContact CE1-N 3.28Å; Y403-P408 HydrophobicContact CE2-CB 4.22Å; Y403-P408 HydrophobicContact CE2-CG 3.75Å; Y403-P408 HydrophobicContact CG-CG 3.94Å; Y403-G449 CarbonylContact O-C 3.58Å; Y403-G449 WeakPolarHBondContact O-CA 3.15Å; Y403-A451 PolarHBondContact O-N 2.7Å; Y403-F452 HydrophobicContact CD2-CD1 4.23Å; Y403-F452 HydrophobicContact CG-CB 4.4Å; Y403-F452 PolarHBondContact O-N 3.05Å
404	Q	98.5	Very high	98.1	Very high	51 Å²	51	30.5 Å²	30.5	24%	0.238	16%	0.164	C	C	.	.	S	Bend	trans	-60.9	-46	169.6	-71.6	-76.3	43.3	0	0	111.5	D402 G449 D450 A451	D402-Q404 VanDerWaalsContact OD1-CG 3.22Å; D402-Q404 WeakPolarHBondContact OD1-CG 3.48Å; D402-Q404 PolarHBondContact OD1-N 3.1Å; D402-Q404 VanDerWaalsContact OD1-N 3.11Å; Q404-G449 VanDerWaalsContact OE1-CA 3.28Å; Q404-D450 WeakPolarHBondContact O-CB 3.47Å; Q404-A451 WeakPolarHBondContact O-CB 3.42Å; Q404-A451 PolarHBondContact O-N 2.96Å
405	T	98.1	Very high	98.1	Very high	118 Å²	118	30.5 Å²	30.5	72%	0.724	16%	0.164	S	C	*	.	S	Bend	trans	-117.4	-15.6	-174.5	52.8	0	0	0	0	114.2
406	N	96.3	Very high	98.1	Very high	107 Å²	107	30.4 Å²	30.4	57%	0.572	16%	0.164	S	C	*	.	S	Bend	trans	-120.3	160.8	-179.3	-60.9	-49.1	0	0	0	110.7	Y403	Y403-N406 CarbonylContact C-O 3.59Å; Y403-N406 VanDerWaalsContact CA-O 3.25Å; Y403-N406 WeakPolarHBondContact CA-O 3.46Å; Y403-N406 VanDerWaalsContact CB-O 3.27Å; Y403-N406 WeakPolarHBondContact CB-O 3.44Å; Y403-N406 WeakPolarHBondContact CD1-O 3.45Å
407	L	97.9	Very high	98.1	Very high	84 Å²	84	34.1 Å²	34.1	44%	0.44	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-95.4	152.7	172.8	-63.7	179.3	0	0	0	110.9	Y403 M413 A451 F452 E455	Y403-L407 VanDerWaalsContact CD1-C 3.48Å; L407-M413 HydrophobicContact CB-CE 4.5Å; L407-A451 HydrophobicContact CD2-CB 4.17Å; L407-A451 WeakPolarHBondContact CD2-O 3.39Å; L407-F452 HydrophobicContact CD2-CB 4.5Å; L407-E455 HydrophobicContact CD2-CB 3.63Å; L407-E455 HydrophobicContact CD2-CG 4.21Å
408	P	97.6	Very high	97.9	Very high	6 Å²	6	37.9 Å²	37.9	4%	0.039	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-59.1	163.3	159.8	-11.4	23.6	0	0	0	110.6	F399 Y403 M413 F452	F399-P408 HydrophobicContact CB-CG 4.41Å; F399-P408 HydrophobicContact CD1-CB 3.73Å; F399-P408 HydrophobicContact CD1-CG 3.86Å; F399-P408 HydrophobicContact CE1-CB 4.2Å; F399-P408 HydrophobicContact CE1-CG 4.36Å; F399-P408 HydrophobicContact CG-CG 4.24Å; Y403-P408 HydrophobicContact CD1-CB 4.42Å; Y403-P408 HydrophobicContact CD1-CG 3.89Å; Y403-P408 VanDerWaalsContact CD1-N 3.34Å; Y403-P408 HydrophobicContact CD2-CG 3.87Å; Y403-P408 HydrophobicContact CE1-CB 3.82Å; Y403-P408 HydrophobicContact CE1-CG 3.75Å; Y403-P408 VanDerWaalsContact CE1-N 3.28Å; Y403-P408 HydrophobicContact CE2-CB 4.22Å; Y403-P408 HydrophobicContact CE2-CG 3.75Å; Y403-P408 HydrophobicContact CG-CG 3.94Å; P408-M413 HydrophobicContact CB-CG 3.93Å; P408-M413 HydrophobicContact CG-CG 4.1Å; P408-M413 HydrophobicContact CG-SD 4.33Å; P408-M413 WeakPolarHBondContact O-CE 3.38Å; P408-F452 HydrophobicContact CG-CD1 3.93Å; P408-F452 HydrophobicContact CG-CD2 3.82Å; P408-F452 HydrophobicContact CG-CE1 3.9Å; P408-F452 HydrophobicContact CG-CE2 3.79Å; P408-F452 HydrophobicContact CG-CG 3.92Å; P408-F452 HydrophobicContact CG-CZ 3.84Å
409	S	97.1	Very high	97.9	Very high	20 Å²	20	39.3 Å²	39.3	14%	0.14	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-58.7	147.3	173.9	65.4	0	0	0	0	111	D227 H411 A412 M413	D227-S409 WeakPolarHBondContact OD2-CA 3.41Å; D227-S409 WeakPolarHBondContact OD2-CB 3.19Å; S409-H411 PolarHBondContact O-N 3.37Å; S409-A412 PolarHBondContact O-N 3.42Å; S409-A412 VanDerWaalsContact OG-CB 3.29Å; S409-A412 WeakPolarHBondContact OG-CB 3.1Å; S409-A412 PolarHBondContact OG-N 3.42Å; S409-M413 WeakPolarHBondContact O-CG 3.43Å; S409-M413 PolarHBondContact O-N 2.65Å
410	Q	97.6	Very high	97.8	Very high	139 Å²	139	39.5 Å²	39.5	65%	0.65	21%	0.205	S	C	*	.	H	α-helix	trans	-59.4	-35.7	177.1	-63.9	-175.7	23.4	0	0	110.8	D227 M413 S414	D227-Q410 PolarHBondContact OD1-N 3.01Å; D227-Q410 PolarHBondContact OD2-N 3.35Å; Q410-M413 HydrophobicContact CG-CE 4.36Å; Q410-M413 PolarHBondContact O-N 2.82Å; Q410-S414 WeakPolarHBondContact O-CB 3.36Å; Q410-S414 PolarHBondContact O-N 2.84Å; Q410-S414 PolarHBondContact O-OG 3.48Å
411	H	97.6	Very high	97.8	Very high	18 Å²	18	39.6 Å²	39.6	8%	0.083	21%	0.207	C	C	.	.	H	α-helix	trans	-59.2	-53.4	173.9	-172.9	-97.3	0	0	0	112.3	M226 D227 E239 S409 M413 S414 L415	M226-H411 HydrophobicContact CB-CB 3.68Å; D227-H411 VanDerWaalsContact OD1-CB 3.31Å; D227-H411 WeakPolarHBondContact OD1-CB 3.49Å; D227-H411 PolarHBondContact OD1-N 3.21Å; E239-H411 IonicContact OE1-CD2 3.3Å; E239-H411 PolarHBondContact OE1-CD2 3.49Å; E239-H411 IonicContact OE1-CE1 3.77Å; E239-H411 IonicContact OE1-NE2 2.66Å; E239-H411 PolarHBondContact OE1-NE2 2.83Å; S409-H411 PolarHBondContact O-N 3.37Å; H411-M413 VanDerWaalsContact C-N 3.33Å; H411-M413 PolarHBondContact O-N 3.26Å; H411-S414 PolarHBondContact O-N 2.78Å; H411-L415 WeakPolarHBondContact O-CG 3.42Å; H411-L415 PolarHBondContact O-N 3.39Å
412	A	98	Very high	97.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-41.9	179.1	0	0	0	0	0	111.5	F399 S409 S414 L415 V416	F399-A412 HydrophobicContact CD1-CB 4.25Å; F399-A412 HydrophobicContact CE1-CB 4.08Å; S409-A412 PolarHBondContact O-N 3.42Å; S409-A412 VanDerWaalsContact OG-CB 3.29Å; S409-A412 WeakPolarHBondContact OG-CB 3.1Å; S409-A412 PolarHBondContact OG-N 3.42Å; A412-S414 VanDerWaalsContact C-N 3.34Å; A412-S414 PolarHBondContact O-N 2.95Å; A412-L415 PolarHBondContact O-N 2.82Å; A412-V416 PolarHBondContact O-N 3.45Å
413	M	98.5	Very high	97.6	Very high	9 Å²	9	40 Å²	40	4%	0.044	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-42.9	176	-69.8	-168.8	-67.2	0	0	111.6	F399 L407 P408 S409 Q410 H411 V416 R417 F452 E455 W459	F399-M413 HydrophobicContact CE1-CG 4.17Å; L407-M413 HydrophobicContact CB-CE 4.5Å; P408-M413 HydrophobicContact CB-CG 3.93Å; P408-M413 HydrophobicContact CG-CG 4.1Å; P408-M413 HydrophobicContact CG-SD 4.33Å; P408-M413 WeakPolarHBondContact O-CE 3.38Å; S409-M413 WeakPolarHBondContact O-CG 3.43Å; S409-M413 PolarHBondContact O-N 2.65Å; Q410-M413 HydrophobicContact CG-CE 4.36Å; Q410-M413 PolarHBondContact O-N 2.82Å; H411-M413 VanDerWaalsContact C-N 3.33Å; H411-M413 PolarHBondContact O-N 3.26Å; M413-V416 PolarHBondContact O-N 3.45Å; M413-R417 WeakPolarHBondContact O-CB 3.44Å; M413-R417 PolarHBondContact O-N 2.93Å; M413-F452 HydrophobicContact CG-CE2 3.98Å; M413-F452 HydrophobicContact SD-CD2 4.1Å; M413-F452 HydrophobicContact SD-CE2 3.71Å; M413-E455 HydrophobicContact CE-CG 4.42Å; M413-E455 HydrophobicContact SD-CG 3.7Å; M413-W459 HydrophobicContact CB-CH2 4.35Å; M413-W459 HydrophobicContact CB-CZ2 4Å; M413-W459 HydrophobicContact CG-CZ2 4.23Å; M413-W459 HydrophobicContact SD-CZ2 4.2Å
414	S	97.8	Very high	97.5	Very high	33 Å²	33	39.9 Å²	39.9	23%	0.231	21%	0.213	C	C	.	.	H	α-helix	trans	-68.9	-33.8	179	-55.7	0	0	0	0	112.4	Q410 H411 A412 V416 R417 D418 Q419	Q410-S414 WeakPolarHBondContact O-CB 3.36Å; Q410-S414 PolarHBondContact O-N 2.84Å; Q410-S414 PolarHBondContact O-OG 3.48Å; H411-S414 PolarHBondContact O-N 2.78Å; A412-S414 VanDerWaalsContact C-N 3.34Å; A412-S414 PolarHBondContact O-N 2.95Å; S414-V416 VanDerWaalsContact C-N 3.28Å; S414-V416 PolarHBondContact O-N 3.33Å; S414-R417 PolarHBondContact OG-NH2 3.32Å; S414-D418 WeakPolarHBondContact O-CB 3.43Å; S414-D418 PolarHBondContact O-N 2.79Å; S414-Q419 PolarHBondContact O-N 3.49Å
415	L	98	Very high	97.4	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.213	C	C	.	.	I	π-helix	trans	-58.7	-40.7	172.5	-73.8	176.4	0	0	0	111.6	P297 G372 I374 H411 A412 Q419 L420	P297-L415 HydrophobicContact CB-CD2 3.92Å; G372-L415 WeakPolarHBondContact O-CD1 3.27Å; I374-L415 HydrophobicContact CD1-CB 3.99Å; I374-L415 HydrophobicContact CD1-CD1 4.43Å; I374-L415 HydrophobicContact CG1-CB 4.34Å; H411-L415 WeakPolarHBondContact O-CG 3.42Å; H411-L415 PolarHBondContact O-N 3.39Å; A412-L415 PolarHBondContact O-N 2.82Å; L415-Q419 WeakPolarHBondContact O-CB 3.35Å; L415-Q419 PolarHBondContact O-N 3.3Å; L415-L420 WeakPolarHBondContact O-CB 3.47Å; L415-L420 PolarHBondContact O-N 3.06Å
416	V	98.6	Very high	97.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	I	π-helix	trans	-81.9	-53.3	180	177.4	0	0	0	0	111.7	I326 A368 I374 V397 F399 A412 M413 S414 D418 A421	I326-V416 HydrophobicContact CD1-CG1 4Å; A368-V416 HydrophobicContact CB-CG2 3.86Å; I374-V416 HydrophobicContact CD1-CG2 3.83Å; V397-V416 HydrophobicContact CB-CG1 4.23Å; V397-V416 HydrophobicContact CG1-CB 4.47Å; V397-V416 HydrophobicContact CG1-CG1 3.8Å; V397-V416 HydrophobicContact CG1-CG2 3.77Å; F399-V416 HydrophobicContact CE1-CG2 4.05Å; F399-V416 HydrophobicContact CE2-CB 4.17Å; F399-V416 HydrophobicContact CE2-CG1 4.17Å; F399-V416 HydrophobicContact CE2-CG2 3.88Å; F399-V416 HydrophobicContact CZ-CB 3.64Å; F399-V416 HydrophobicContact CZ-CG1 4.13Å; F399-V416 HydrophobicContact CZ-CG2 3.41Å; F399-V416 VanDerWaalsContact CZ-CG2 3.41Å; A412-V416 PolarHBondContact O-N 3.45Å; M413-V416 PolarHBondContact O-N 3.45Å; S414-V416 VanDerWaalsContact C-N 3.28Å; S414-V416 PolarHBondContact O-N 3.33Å; V416-D418 PolarHBondContact O-N 3Å; V416-A421 PolarHBondContact O-N 3.39Å
417	R	98.1	Very high	97	Very high	79 Å²	79	38.3 Å²	38.3	30%	0.298	19%	0.194	S	C	.	.	I	π-helix	trans	-59.1	-47.8	-175.7	-176	-172.6	66.9	-145.8	-11.3	111.8	M413 S414 A421 W459	M413-R417 WeakPolarHBondContact O-CB 3.44Å; M413-R417 PolarHBondContact O-N 2.93Å; S414-R417 PolarHBondContact OG-NH2 3.32Å; R417-A421 WeakPolarHBondContact O-CB 3.37Å; R417-W459 HydrophobicContact CB-CD2 4.19Å; R417-W459 HydrophobicContact CB-CE3 3.77Å; R417-W459 HydrophobicContact CB-CH2 3.9Å; R417-W459 HydrophobicContact CB-CZ2 4.27Å; R417-W459 HydrophobicContact CB-CZ3 3.64Å; R417-W459 HydrophobicContact CG-CD2 3.72Å; R417-W459 HydrophobicContact CG-CE3 3.58Å; R417-W459 HydrophobicContact CG-CG 4.18Å; R417-W459 HydrophobicContact CG-CZ3 4.02Å
418	D	95.6	Very high	96.9	Very high	78 Å²	78	36.1 Å²	36.1	42%	0.417	19%	0.192	S	C	.	.	I	π-helix	trans	-101.7	-49	-168.9	-51.6	-35.8	0	0	0	111.3	S414 V416 S422	S414-D418 WeakPolarHBondContact O-CB 3.43Å; S414-D418 PolarHBondContact O-N 2.79Å; V416-D418 PolarHBondContact O-N 3Å; D418-S422 WeakPolarHBondContact O-CB 3.37Å; D418-S422 PolarHBondContact O-N 2.85Å
419	Q	97.3	Very high	96.9	Very high	31 Å²	31	35.9 Å²	35.9	15%	0.145	19%	0.191	C	C	.	.	I	π-helix	trans	-85.8	-52.3	-170.3	-59.2	-175.6	47.7	0	0	112.2	P297 S414 L415 S422 C423	P297-Q419 HydrophobicContact CB-CB 3.94Å; P297-Q419 HydrophobicContact CG-CB 4.21Å; S414-Q419 PolarHBondContact O-N 3.49Å; L415-Q419 WeakPolarHBondContact O-CB 3.35Å; L415-Q419 PolarHBondContact O-N 3.3Å; Q419-S422 PolarHBondContact O-N 3.33Å; Q419-C423 WeakPolarHBondContact O-CB 3.3Å; Q419-C423 PolarHBondContact O-N 3.45Å
420	L	98.3	Very high	96.9	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	19%	0.185	C	C	.	.	I	π-helix	trans	-65.4	-45.3	-176.7	-168.8	70.3	0	0	0	111.1	P297 I299 F366 I374 W380 V397 L415 C423 A424	P297-L420 HydrophobicContact CG-CB 4.01Å; P297-L420 HydrophobicContact CG-CD1 3.76Å; I299-L420 HydrophobicContact CD1-CD1 4.21Å; F366-L420 HydrophobicContact CB-CD2 4.11Å; F366-L420 HydrophobicContact CD2-CD1 4.49Å; F366-L420 HydrophobicContact CD2-CD2 4.23Å; F366-L420 HydrophobicContact CG-CD1 4.42Å; F366-L420 HydrophobicContact CG-CD2 4.22Å; I374-L420 HydrophobicContact CG2-CD1 4.29Å; I374-L420 HydrophobicContact CG2-CD2 4.48Å; W380-L420 HydrophobicContact CH2-CD1 3.46Å; W380-L420 VanDerWaalsContact CH2-CD1 3.46Å; W380-L420 HydrophobicContact CH2-CG 4.08Å; W380-L420 HydrophobicContact CZ2-CD1 3.81Å; V397-L420 HydrophobicContact CG1-CD2 4.07Å; V397-L420 HydrophobicContact CG2-CD2 3.78Å; L415-L420 WeakPolarHBondContact O-CB 3.47Å; L415-L420 PolarHBondContact O-N 3.06Å; L420-C423 WeakPolarHBondContact O-CB 3.38Å; L420-C423 PolarHBondContact O-N 3.07Å; L420-A424 WeakPolarHBondContact O-CB 3.28Å; L420-A424 PolarHBondContact O-N 3.34Å
421	A	97.4	Very high	96.9	Very high	3 Å²	3	30.5 Å²	30.5	3%	0.025	17%	0.166	C	C	.	.	H	α-helix	trans	-62.2	-48.5	177.1	0	0	0	0	0	111.9	L324 V416 R417 C423 A424 V425 Y434	L324-A421 HydrophobicContact CD2-CB 4.2Å; V416-A421 PolarHBondContact O-N 3.39Å; R417-A421 WeakPolarHBondContact O-CB 3.37Å; A421-C423 VanDerWaalsContact C-N 3.33Å; A421-C423 PolarHBondContact O-N 3.13Å; A421-A424 WeakPolarHBondContact O-CB 3.35Å; A421-A424 PolarHBondContact O-N 3.38Å; A421-V425 WeakPolarHBondContact O-CG2 3.36Å; A421-V425 PolarHBondContact O-N 2.9Å; A421-Y434 HydrophobicContact CB-CE1 4.42Å; A421-Y434 WeakPolarHBondContact CB-OH 3.43Å
422	S	95.8	Very high	96.9	Very high	50 Å²	50	33.9 Å²	33.9	35%	0.35	19%	0.192	S	C	.	.	H	α-helix	trans	-61	-41.7	175.8	-179.4	0	0	0	0	112	D418 Q419 A424 V425 N426	D418-S422 WeakPolarHBondContact O-CB 3.37Å; D418-S422 PolarHBondContact O-N 2.85Å; Q419-S422 PolarHBondContact O-N 3.33Å; S422-A424 VanDerWaalsContact C-N 3.33Å; S422-A424 PolarHBondContact O-N 3.29Å; S422-V425 PolarHBondContact O-N 2.82Å; S422-N426 VanDerWaalsContact O-CB 3.31Å; S422-N426 WeakPolarHBondContact O-CB 2.99Å; S422-N426 VanDerWaalsContact O-CG 3.27Å; S422-N426 PolarHBondContact O-N 2.93Å; S422-N426 PolarHBondContact O-ND2 2.81Å; S422-N426 PolarHBondContact OG-ND2 3.16Å
423	C	96.4	Very high	96.8	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.02	22%	0.223	C	C	.	.	H	α-helix	trans	-58.3	-45.7	174.3	-171.8	0	0	0	0	111.5	C296 Q419 L420 A421 V425 N426 R427	C296-C423 HydrophobicContact CB-CB 3.76Å; C296-C423 WeakPolarHBondContact CB-SG 3.46Å; C296-C423 WeakPolarHBondContact SG-CB 3.46Å; C296-C423 CovalentContact SG-SG 2.03Å; C296-C423 PolarHBondContact SG-SG 2.94Å; Q419-C423 WeakPolarHBondContact O-CB 3.3Å; Q419-C423 PolarHBondContact O-N 3.45Å; L420-C423 WeakPolarHBondContact O-CB 3.38Å; L420-C423 PolarHBondContact O-N 3.07Å; A421-C423 VanDerWaalsContact C-N 3.33Å; A421-C423 PolarHBondContact O-N 3.13Å; C423-V425 PolarHBondContact O-N 3.46Å; C423-N426 PolarHBondContact O-N 3.45Å; C423-R427 WeakPolarHBondContact O-CB 3.42Å; C423-R427 VanDerWaalsContact O-CG 3.28Å; C423-R427 WeakPolarHBondContact O-CG 3.38Å; C423-R427 PolarHBondContact O-N 3Å
424	A	96.9	Very high	96.8	Very high	3 Å²	3	38.8 Å²	38.8	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-40.5	177.7	0	0	0	0	0	112.2	W380 Y395 L420 A421 S422 R427 G428 G429 L430	W380-A424 HydrophobicContact CH2-CB 4.17Å; W380-A424 HydrophobicContact CZ3-CB 3.63Å; Y395-A424 HydrophobicContact CE2-CB 4.2Å; L420-A424 WeakPolarHBondContact O-CB 3.28Å; L420-A424 PolarHBondContact O-N 3.34Å; A421-A424 WeakPolarHBondContact O-CB 3.35Å; A421-A424 PolarHBondContact O-N 3.38Å; S422-A424 VanDerWaalsContact C-N 3.33Å; S422-A424 PolarHBondContact O-N 3.29Å; A424-R427 WeakPolarHBondContact O-CG 3.31Å; A424-G428 PolarHBondContact O-N 3.27Å; A424-G429 CarbonylContact O-C 3.58Å; A424-G429 WeakPolarHBondContact O-CA 3.48Å; A424-G429 PolarHBondContact O-N 3.17Å; A424-L430 HydrophobicContact CB-CB 3.64Å; A424-L430 HydrophobicContact CB-CD2 4.12Å; A424-L430 PolarHBondContact O-N 3.26Å
425	V	96.9	Very high	96.8	Very high	38 Å²	38	39 Å²	39	23%	0.23	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-50.7	176	172.8	0	0	0	0	111.2	A421 S422 C423 R427 G428 L430 Y434	A421-V425 WeakPolarHBondContact O-CG2 3.36Å; A421-V425 PolarHBondContact O-N 2.9Å; S422-V425 PolarHBondContact O-N 2.82Å; C423-V425 PolarHBondContact O-N 3.46Å; V425-R427 PolarHBondContact O-N 2.94Å; V425-G428 PolarHBondContact O-N 3.5Å; V425-L430 WeakPolarHBondContact CA-O 3.49Å; V425-L430 HydrophobicContact CG2-CB 4.06Å; V425-L430 HydrophobicContact CG2-CD2 4.1Å; V425-L430 HydrophobicContact CG2-CG 4.25Å; V425-Y434 HydrophobicContact CG2-CD1 4.21Å; V425-Y434 HydrophobicContact CG2-CE1 4.36Å
426	N	92.6	Very high	96.9	Very high	90 Å²	90	39 Å²	39	48%	0.481	23%	0.225	S	C	.	.	H	α-helix	trans	-64.5	-29.3	-175.8	-75.2	-36.6	0	0	0	113.1	H291 S422 C423 G428	H291-N426 WeakPolarHBondContact CE1-CB 3.27Å; S422-N426 VanDerWaalsContact O-CB 3.31Å; S422-N426 WeakPolarHBondContact O-CB 2.99Å; S422-N426 VanDerWaalsContact O-CG 3.27Å; S422-N426 PolarHBondContact O-N 2.93Å; S422-N426 PolarHBondContact O-ND2 2.81Å; S422-N426 PolarHBondContact OG-ND2 3.16Å; C423-N426 PolarHBondContact O-N 3.45Å; N426-G428 VanDerWaalsContact C-N 3.31Å
427	R	92.7	Very high	96.9	Very high	115 Å²	115	39.3 Å²	39.3	43%	0.434	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-0.3	173.4	76.9	-175.8	-65.3	145.3	-0.3	114.2	W380 C423 A424 V425 G429	W380-R427 VanDerWaalsContact CD1-NH1 3.29Å; W380-R427 VanDerWaalsContact NE1-NH1 3.12Å; C423-R427 WeakPolarHBondContact O-CB 3.42Å; C423-R427 VanDerWaalsContact O-CG 3.28Å; C423-R427 WeakPolarHBondContact O-CG 3.38Å; C423-R427 PolarHBondContact O-N 3Å; A424-R427 WeakPolarHBondContact O-CG 3.31Å; V425-R427 PolarHBondContact O-N 2.94Å; R427-G429 VanDerWaalsContact C-N 3.28Å; R427-G429 PolarHBondContact O-N 2.89Å
428	G	95.6	Very high	96.9	Very high	38 Å²	38	35.5 Å²	35.5	39%	0.392	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	16.6	-176.7	0	0	0	0	0	114.5	P320 A424 V425 N426	P320-G428 WeakPolarHBondContact CA-O 3.35Å; P320-G428 WeakPolarHBondContact CB-O 3.39Å; A424-G428 PolarHBondContact O-N 3.27Å; V425-G428 PolarHBondContact O-N 3.5Å; N426-G428 VanDerWaalsContact C-N 3.31Å
429	G	97.2	Very high	97	Very high	1 Å²	1	33 Å²	33	1%	0.01	20%	0.198	C	C	.	.	S	Bend	trans	-85.4	-22	176.6	0	0	0	0	0	113.5	L321 Y395 A424 R427	L321-G429 PolarHBondContact N-O 3.44Å; Y395-G429 VanDerWaalsContact CE2-O 3.3Å; Y395-G429 WeakPolarHBondContact CE2-O 3.37Å; Y395-G429 WeakPolarHBondContact OH-CA 3.32Å; Y395-G429 PolarHBondContact OH-O 3.33Å; A424-G429 CarbonylContact O-C 3.58Å; A424-G429 WeakPolarHBondContact O-CA 3.48Å; A424-G429 PolarHBondContact O-N 3.17Å; R427-G429 VanDerWaalsContact C-N 3.28Å; R427-G429 PolarHBondContact O-N 2.89Å
430	L	98.3	Very high	97	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	138.7	-179.2	-169.2	70.3	0	0	0	108.7	L321 Y395 A424 V425 Y434	L321-L430 HydrophobicContact CB-CD1 4.31Å; L321-L430 WeakPolarHBondContact O-CD1 3.38Å; Y395-L430 HydrophobicContact CD2-CD1 4.23Å; Y395-L430 HydrophobicContact CE2-CB 4.34Å; A424-L430 HydrophobicContact CB-CB 3.64Å; A424-L430 HydrophobicContact CB-CD2 4.12Å; A424-L430 PolarHBondContact O-N 3.26Å; V425-L430 WeakPolarHBondContact CA-O 3.49Å; V425-L430 HydrophobicContact CG2-CB 4.06Å; V425-L430 HydrophobicContact CG2-CD2 4.1Å; V425-L430 HydrophobicContact CG2-CG 4.25Å; L430-Y434 HydrophobicContact CD1-CG 4.16Å; L430-Y434 HydrophobicContact CD2-CD1 3.55Å; L430-Y434 HydrophobicContact CD2-CD2 3.87Å; L430-Y434 HydrophobicContact CD2-CE1 3.96Å; L430-Y434 HydrophobicContact CD2-CE2 4.23Å; L430-Y434 HydrophobicContact CD2-CG 3.52Å; L430-Y434 HydrophobicContact CG-CD1 3.98Å; L430-Y434 HydrophobicContact CG-CD2 4.47Å; L430-Y434 HydrophobicContact CG-CG 3.79Å
431	V	98.2	Very high	96.9	Very high	42 Å²	42	36.3 Å²	36.3	26%	0.255	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	146.6	174.6	-60.7	0	0	0	0	109.7	P320 L321 S433 Y434	P320-V431 HydrophobicContact CB-CG1 3.72Å; P320-V431 HydrophobicContact CG-CG1 3.54Å; L321-V431 PolarHBondContact O-N 3Å; V431-S433 PolarHBondContact O-N 3.05Å; V431-Y434 WeakPolarHBondContact O-CB 3.37Å; V431-Y434 WeakPolarHBondContact O-CD1 3.47Å; V431-Y434 PolarHBondContact O-N 3.45Å; V431-Y434 VanDerWaalsContact O-N 3.11Å
432	S	97.1	Very high	96.9	Very high	90 Å²	90	38.7 Å²	38.7	63%	0.629	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	-25.8	179.4	55.3	0	0	0	0	113.2	Y434 H461	S432-Y434 VanDerWaalsContact C-N 3.32Å; S432-H461 PolarHBondContact O-CE1 2.88Å; S432-H461 VanDerWaalsContact O-CE1 3.23Å
433	S	96.6	Very high	96.8	Very high	94 Å²	94	38.1 Å²	38.1	66%	0.657	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	28.1	176.4	66.7	0	0	0	0	112.9	V431	V431-S433 PolarHBondContact O-N 3.05Å
434	Y	97.9	Very high	96.8	Very high	17 Å²	17	44.3 Å²	44.3	7%	0.067	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	154.7	-175.5	69.6	-82.6	0	0	0	111.3	P322 L324 A421 V425 L430 V431 S432 L436 H461	P322-Y434 VanDerWaalsContact O-CA 3.29Å; P322-Y434 WeakPolarHBondContact O-CA 3.37Å; P322-Y434 WeakPolarHBondContact O-CB 3.31Å; L324-Y434 HydrophobicContact CB-CD2 3.93Å; L324-Y434 HydrophobicContact CB-CE2 4.09Å; L324-Y434 HydrophobicContact CD2-CE2 4.1Å; A421-Y434 HydrophobicContact CB-CE1 4.42Å; A421-Y434 WeakPolarHBondContact CB-OH 3.43Å; V425-Y434 HydrophobicContact CG2-CD1 4.21Å; V425-Y434 HydrophobicContact CG2-CE1 4.36Å; L430-Y434 HydrophobicContact CD1-CG 4.16Å; L430-Y434 HydrophobicContact CD2-CD1 3.55Å; L430-Y434 HydrophobicContact CD2-CD2 3.87Å; L430-Y434 HydrophobicContact CD2-CE1 3.96Å; L430-Y434 HydrophobicContact CD2-CE2 4.23Å; L430-Y434 HydrophobicContact CD2-CG 3.52Å; L430-Y434 HydrophobicContact CG-CD1 3.98Å; L430-Y434 HydrophobicContact CG-CD2 4.47Å; L430-Y434 HydrophobicContact CG-CG 3.79Å; V431-Y434 WeakPolarHBondContact O-CB 3.37Å; V431-Y434 WeakPolarHBondContact O-CD1 3.47Å; V431-Y434 PolarHBondContact O-N 3.45Å; V431-Y434 VanDerWaalsContact O-N 3.11Å; S432-Y434 VanDerWaalsContact C-N 3.32Å; Y434-L436 HydrophobicContact CE2-CB 4.21Å; Y434-H461 AromaticContact CD1-CE1 3.91Å; Y434-H461 AromaticContact CD1-ND1 3.75Å; Y434-H461 HydrophobicContact CD2-CB 4.08Å; Y434-H461 HydrophobicContact CE1-CB 4.33Å; Y434-H461 AromaticContact CE1-CD2 3.59Å; Y434-H461 AromaticContact CE1-CE1 3.58Å; Y434-H461 AromaticContact CE1-CG 3.58Å; Y434-H461 AromaticContact CE1-ND1 3.57Å; Y434-H461 AromaticContact CE1-NE2 3.57Å; Y434-H461 HydrophobicContact CE2-CB 3.52Å; Y434-H461 AromaticContact CE2-CG 3.71Å; Y434-H461 AromaticContact CZ-CD2 3.41Å; Y434-H461 VanDerWaalsContact CZ-CD2 3.41Å; Y434-H461 AromaticContact CZ-CG 3.32Å; Y434-H461 AromaticContact CZ-ND1 3.8Å; Y434-H461 AromaticContact CZ-NE2 3.92Å; Y434-H461 PolarHBondContact O-ND1 2.99Å; Y434-H461 PolarHBondContact OH-CD2 2.93Å
435	T	98.4	Very high	96.8	Very high	39 Å²	39	46.8 Å²	46.8	24%	0.239	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.1	173.2	-56	0	0	0	0	109.6	P322 F323 L324 Q437 G463	P322-T435 PolarHBondContact O-N 3.28Å; F323-T435 WeakPolarHBondContact CA-O 3.25Å; F323-T435 HydrophobicContact CD1-CG2 4.33Å; F323-T435 HydrophobicContact CE1-CG2 4.24Å; L324-T435 PolarHBondContact N-O 3.16Å; T435-Q437 HydrophobicContact CG2-CG 4.13Å; T435-G463 WeakPolarHBondContact CG2-O 3.46Å
436	L	98.5	Very high	96.9	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	133.3	173.1	-172.4	150.4	0	0	0	110	L324 I326 Y434 I456 W459 H461 F462 G463	L324-L436 HydrophobicContact CD2-CD1 4.16Å; L324-L436 WeakPolarHBondContact O-CA 3.2Å; I326-L436 HydrophobicContact CD1-CD1 4.36Å; I326-L436 HydrophobicContact CG1-CD1 4.2Å; I326-L436 HydrophobicContact CG1-CD2 3.93Å; I326-L436 HydrophobicContact CG1-CG 4.05Å; Y434-L436 HydrophobicContact CE2-CB 4.21Å; L436-I456 HydrophobicContact CD2-CB 4.07Å; L436-I456 HydrophobicContact CD2-CD1 4.24Å; L436-I456 HydrophobicContact CD2-CG1 4.43Å; L436-W459 HydrophobicContact CD1-CE3 3.51Å; L436-W459 HydrophobicContact CD1-CZ3 3.96Å; L436-W459 HydrophobicContact CD2-CE3 4.44Å; L436-H461 HydrophobicContact CB-CB 4.05Å; L436-H461 PolarHBondContact N-O 3.1Å; L436-F462 HydrophobicContact CD2-CD2 3.93Å; L436-F462 WeakPolarHBondContact O-CA 3.38Å; L436-G463 PolarHBondContact O-N 3.22Å
437	Q	98.1	Very high	97.1	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.028	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	149.6	179.5	-70.7	-175	-30.3	0	0	111.2	L324 F325 I326 T435 D441 G463 V465	L324-Q437 PolarHBondContact O-N 3.18Å; F325-Q437 CarbonylContact C-O 3.57Å; F325-Q437 WeakPolarHBondContact CA-O 3Å; F325-Q437 HydrophobicContact CD1-CB 4.03Å; F325-Q437 HydrophobicContact CE1-CB 4.2Å; I326-Q437 PolarHBondContact N-O 3.14Å; T435-Q437 HydrophobicContact CG2-CG 4.13Å; Q437-D441 HydrophobicContact CB-CB 4.15Å; Q437-D441 HydrophobicContact CG-CB 4.4Å; Q437-G463 WeakPolarHBondContact CG-O 3.21Å; Q437-G463 PolarHBondContact NE2-O 3.05Å; Q437-V465 VanDerWaalsContact NE2-N 3.2Å
438	G	98.3	Very high	97.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	153.4	162.8	0	0	0	0	0	110.2	R440 D441	G438-R440 PolarHBondContact O-N 2.83Å; G438-R440 VanDerWaalsContact O-N 3.16Å; G438-D441 PolarHBondContact N-OD2 2.97Å; G438-D441 WeakPolarHBondContact O-CB 3.42Å; G438-D441 PolarHBondContact O-N 2.83Å
439	H	98.3	Very high	97.5	Very high	26 Å²	26	37.4 Å²	37.4	12%	0.12	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-51.4	-40.4	175.3	-169.8	178.9	0	0	0	112.6	I326 H327 H386 D441 V442 V443 T445 C447	I326-H439 PolarHBondContact O-N 3Å; H327-H439 AromaticContact CE1-CD2 3.78Å; H327-H439 AromaticContact CE1-CE1 3.65Å; H327-H439 AromaticContact CE1-CG 3.23Å; H327-H439 AromaticContact CE1-ND1 3.14Å; H327-H439 PolarHBondContact CE1-ND1 2.72Å; H327-H439 AromaticContact ND1-CE1 3.81Å; H327-H439 AromaticContact ND1-CG 3.41Å; H327-H439 AromaticContact ND1-ND1 3.01Å; H327-H439 PolarHBondContact ND1-ND1 3.06Å; H386-H439 PolarHBondContact O-CE1 3.48Å; H386-H439 PolarHBondContact O-NE2 3.16Å; H439-D441 PolarHBondContact O-N 3.17Å; H439-D441 VanDerWaalsContact O-N 3.14Å; H439-V442 WeakPolarHBondContact O-CG2 3.19Å; H439-V442 PolarHBondContact O-N 3.4Å; H439-V443 PolarHBondContact O-N 3.2Å; H439-V443 VanDerWaalsContact O-N 3.1Å; H439-T445 HydrophobicContact CB-CG2 4.1Å; H439-C447 HydrophobicContact CB-CB 3.86Å; H439-C447 VanDerWaalsContact CB-SG 3.56Å
440	R	97.4	Very high	97.6	Very high	60 Å²	60	41.7 Å²	41.7	23%	0.226	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-60.9	-17.4	177.3	64.8	173.8	72.6	-178.1	-3.7	115.9	G438 V442 V443 T445 T446 C447 G449 D450 Y453	G438-R440 PolarHBondContact O-N 2.83Å; G438-R440 VanDerWaalsContact O-N 3.16Å; R440-V442 PolarHBondContact O-N 2.72Å; R440-V443 WeakPolarHBondContact CA-O 3.49Å; R440-T445 HydrophobicContact CB-CG2 4.4Å; R440-T445 WeakPolarHBondContact CB-O 3.35Å; R440-T446 PolarHBondContact NE-O 3.18Å; R440-T446 PolarHBondContact NH2-O 3.13Å; R440-C447 WeakPolarHBondContact CB-O 3.44Å; R440-C447 WeakPolarHBondContact CG-O 3.5Å; R440-C447 PolarHBondContact N-O 2.75Å; R440-C447 PolarHBondContact NE-O 3.44Å; R440-G449 PolarHBondContact NH2-O 2.92Å; R440-D450 IonicContact CZ-OD1 3.21Å; R440-D450 IonicContact NH1-OD1 2.72Å; R440-D450 PolarHBondContact NH1-OD1 3.11Å; R440-D450 VanDerWaalsContact NH2-N 3.15Å; R440-D450 IonicContact NH2-OD1 2.75Å; R440-D450 PolarHBondContact NH2-OD1 2.98Å; R440-Y453 VanDerWaalsContact CD-CD2 3.45Å; R440-Y453 HydrophobicContact CG-CD2 3.61Å; R440-Y453 HydrophobicContact CG-CE2 3.63Å; R440-Y453 HydrophobicContact CG-CG 4.26Å
441	D	97.1	Very high	97.6	Very high	44 Å²	44	42.7 Å²	42.7	24%	0.235	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-70.9	-21.7	178.6	-71.4	-50.6	0	0	0	112.4	Q437 G438 H439 Y453	Q437-D441 HydrophobicContact CB-CB 4.15Å; Q437-D441 HydrophobicContact CG-CB 4.4Å; G438-D441 PolarHBondContact N-OD2 2.97Å; G438-D441 WeakPolarHBondContact O-CB 3.42Å; G438-D441 PolarHBondContact O-N 2.83Å; H439-D441 PolarHBondContact O-N 3.17Å; H439-D441 VanDerWaalsContact O-N 3.14Å; D441-Y453 PolarHBondContact OD1-OH 3.18Å
442	V	96.3	Very high	97.6	Very high	52 Å²	52	40.7 Å²	40.7	32%	0.315	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.2	-12.6	-171.5	-68.1	0	0	0	0	114	F325 T387 Q390 H439 R440	F325-V442 HydrophobicContact CD1-CG2 4.3Å; F325-V442 HydrophobicContact CE1-CG1 4.44Å; F325-V442 HydrophobicContact CE1-CG2 4.01Å; T387-V442 HydrophobicContact CG2-CG2 3.35Å; Q390-V442 HydrophobicContact CG-CB 4.28Å; Q390-V442 HydrophobicContact CG-CG2 4.21Å; H439-V442 WeakPolarHBondContact O-CG2 3.19Å; H439-V442 PolarHBondContact O-N 3.4Å; R440-V442 PolarHBondContact O-N 2.72Å
443	V	95.1	Very high	97.7	Very high	39 Å²	39	38.1 Å²	38.1	24%	0.236	23%	0.226	C	C	.	.	S	Bend	trans	-134.2	146.4	177.5	178.8	0	0	0	0	109.2	T387 H439 R440 T445	T387-V443 HydrophobicContact CG2-CG2 4.06Å; H439-V443 PolarHBondContact O-N 3.2Å; H439-V443 VanDerWaalsContact O-N 3.1Å; R440-V443 WeakPolarHBondContact CA-O 3.49Å; V443-T445 HydrophobicContact CB-CG2 4.31Å; V443-T445 HydrophobicContact CG1-CG2 4.38Å; V443-T445 PolarHBondContact O-N 3.04Å
444	S	96.3	Very high	97.8	Very high	133 Å²	133	41.1 Å²	41.1	93%	0.93	23%	0.227	S	C	*	.	S	Bend	trans	-72.2	94.2	174.1	-169.7	0	0	0	0	110.4
445	T	97.1	Very high	97.8	Very high	54 Å²	54	42.6 Å²	42.6	33%	0.331	23%	0.234	S	C	.	.	S	Bend	trans	-158.1	159.2	-178.7	179.1	0	0	0	0	110.3	H439 R440 V443 C447	H439-T445 HydrophobicContact CB-CG2 4.1Å; R440-T445 HydrophobicContact CB-CG2 4.4Å; R440-T445 WeakPolarHBondContact CB-O 3.35Å; V443-T445 HydrophobicContact CB-CG2 4.31Å; V443-T445 HydrophobicContact CG1-CG2 4.38Å; V443-T445 PolarHBondContact O-N 3.04Å; T445-C447 VanDerWaalsContact C-N 3.32Å; T445-C447 HydrophobicContact CG2-CB 3.89Å; T445-C447 WeakPolarHBondContact OG1-CB 3.47Å; T445-C447 PolarHBondContact OG1-N 3.48Å; T445-C447 VanDerWaalsContact OG1-N 3.1Å
446	T	96.9	Very high	97.8	Very high	77 Å²	77	40.8 Å²	40.8	47%	0.472	22%	0.223	S	C	.	.			trans	-83.8	-6.5	168.5	55.7	0	0	0	0	112.6	R440 G449	R440-T446 PolarHBondContact NE-O 3.18Å; R440-T446 PolarHBondContact NH2-O 3.13Å; T446-G449 WeakPolarHBondContact O-CA 3.44Å; T446-G449 PolarHBondContact O-N 3.14Å
447	C	98.1	Very high	97.8	Very high	8 Å²	8	43.1 Å²	43.1	5%	0.054	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	135.6	176.9	179.9	0	0	0	0	111.2	H327 H328 H439 R440 T445	H327-C447 WeakPolarHBondContact CA-SG 3.47Å; H328-C447 PolarHBondContact N-SG 3.34Å; H328-C447 VanDerWaalsContact N-SG 3.42Å; H439-C447 HydrophobicContact CB-CB 3.86Å; H439-C447 VanDerWaalsContact CB-SG 3.56Å; R440-C447 WeakPolarHBondContact CB-O 3.44Å; R440-C447 WeakPolarHBondContact CG-O 3.5Å; R440-C447 PolarHBondContact N-O 2.75Å; R440-C447 PolarHBondContact NE-O 3.44Å; T445-C447 VanDerWaalsContact C-N 3.32Å; T445-C447 HydrophobicContact CG2-CB 3.89Å; T445-C447 WeakPolarHBondContact OG1-CB 3.47Å; T445-C447 PolarHBondContact OG1-N 3.48Å; T445-C447 VanDerWaalsContact OG1-N 3.1Å
448	P	98.3	Very high	97.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	cis	-95.2	23.7	11.7	39.3	-38.8	0	0	0	115.6	I326 H328 F452 I456	I326-P448 HydrophobicContact CG2-CB 4.24Å; I326-P448 HydrophobicContact CG2-CG 4.41Å; H328-P448 HydrophobicContact CB-CB 4.45Å; H328-P448 WeakPolarHBondContact CB-O 3.41Å; H328-P448 VanDerWaalsContact CG-C 3.47Å; H328-P448 VanDerWaalsContact CG-O 3.24Å; H328-P448 PolarHBondContact ND1-O 3.47Å; H328-P448 VanDerWaalsContact ND1-O 3.16Å; P448-F452 HydrophobicContact CB-CD1 3.86Å; P448-F452 HydrophobicContact CB-CE1 4.36Å; P448-F452 HydrophobicContact CG-CD1 4.3Å; P448-I456 HydrophobicContact CG-CD1 3.98Å
449	G	98.4	Very high	97.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.27	C	S	.	.			trans	95.5	146.6	-173.1	0	0	0	0	0	112.9	Y403 Q404 R440 T446 F452 Y453	Y403-G449 CarbonylContact O-C 3.58Å; Y403-G449 WeakPolarHBondContact O-CA 3.15Å; Q404-G449 VanDerWaalsContact OE1-CA 3.28Å; R440-G449 PolarHBondContact NH2-O 2.92Å; T446-G449 WeakPolarHBondContact O-CA 3.44Å; T446-G449 PolarHBondContact O-N 3.14Å; G449-F452 PolarHBondContact O-N 3.08Å; G449-Y453 WeakPolarHBondContact O-CB 3.36Å; G449-Y453 PolarHBondContact O-N 3.46Å
450	D	98.6	Very high	97.6	Very high	91 Å²	91	55.9 Å²	55.9	49%	0.487	31%	0.306	S	S	.	.	H	α-helix	trans	-64.2	-47.4	-171.6	-72.4	-19.1	0	0	0	113.7	Q404 R440 K454	Q404-D450 WeakPolarHBondContact O-CB 3.47Å; R440-D450 IonicContact CZ-OD1 3.21Å; R440-D450 IonicContact NH1-OD1 2.72Å; R440-D450 PolarHBondContact NH1-OD1 3.11Å; R440-D450 VanDerWaalsContact NH2-N 3.15Å; R440-D450 IonicContact NH2-OD1 2.75Å; R440-D450 PolarHBondContact NH2-OD1 2.98Å; D450-K454 WeakPolarHBondContact O-CB 3.35Å; D450-K454 PolarHBondContact O-N 3.15Å
451	A	98.8	Very high	97.6	Very high	23 Å²	23	55.5 Å²	55.5	19%	0.19	31%	0.306	C	S	.	.	H	α-helix	trans	-60.9	-48.4	177	0	0	0	0	0	110.8	Y403 Q404 L407 K454 E455	Y403-A451 PolarHBondContact O-N 2.7Å; Q404-A451 WeakPolarHBondContact O-CB 3.42Å; Q404-A451 PolarHBondContact O-N 2.96Å; L407-A451 HydrophobicContact CD2-CB 4.17Å; L407-A451 WeakPolarHBondContact CD2-O 3.39Å; A451-K454 WeakPolarHBondContact O-CB 3.46Å; A451-K454 PolarHBondContact O-N 2.94Å; A451-E455 PolarHBondContact O-N 3.21Å; A451-E455 VanDerWaalsContact O-N 3.13Å
452	F	98.7	Very high	97.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-71.8	-34.8	-178.3	-172.6	-150.4	0	0	0	113.2	I326 F399 Y403 L407 P408 M413 P448 G449 K454 E455 I456 W459	I326-F452 HydrophobicContact CG2-CD1 4.28Å; I326-F452 HydrophobicContact CG2-CE1 3.4Å; I326-F452 HydrophobicContact CG2-CZ 3.64Å; F399-F452 HydrophobicContact CB-CE1 4.34Å; F399-F452 HydrophobicContact CD1-CE1 4.47Å; F399-F452 HydrophobicContact CD1-CZ 4.33Å; F399-F452 AromaticContact CD2-CE1 3.46Å; F399-F452 HydrophobicContact CD2-CE1 3.46Å; F399-F452 VanDerWaalsContact CD2-CE1 3.46Å; F399-F452 AromaticContact CD2-CZ 3.66Å; F399-F452 HydrophobicContact CD2-CZ 3.66Å; F399-F452 HydrophobicContact CE1-CZ 4.14Å; F399-F452 AromaticContact CE2-CE1 3.77Å; F399-F452 HydrophobicContact CE2-CE1 3.77Å; F399-F452 AromaticContact CE2-CZ 3.47Å; F399-F452 HydrophobicContact CE2-CZ 3.47Å; F399-F452 VanDerWaalsContact CE2-CZ 3.47Å; F399-F452 AromaticContact CG-CE1 3.85Å; F399-F452 HydrophobicContact CG-CE1 3.85Å; F399-F452 HydrophobicContact CG-CZ 4.09Å; F399-F452 HydrophobicContact CZ-CE1 4.36Å; F399-F452 AromaticContact CZ-CZ 3.7Å; F399-F452 HydrophobicContact CZ-CZ 3.7Å; Y403-F452 HydrophobicContact CD2-CD1 4.23Å; Y403-F452 HydrophobicContact CG-CB 4.4Å; Y403-F452 PolarHBondContact O-N 3.05Å; L407-F452 HydrophobicContact CD2-CB 4.5Å; P408-F452 HydrophobicContact CG-CD1 3.93Å; P408-F452 HydrophobicContact CG-CD2 3.82Å; P408-F452 HydrophobicContact CG-CE1 3.9Å; P408-F452 HydrophobicContact CG-CE2 3.79Å; P408-F452 HydrophobicContact CG-CG 3.92Å; P408-F452 HydrophobicContact CG-CZ 3.84Å; M413-F452 HydrophobicContact CG-CE2 3.98Å; M413-F452 HydrophobicContact SD-CD2 4.1Å; M413-F452 HydrophobicContact SD-CE2 3.71Å; P448-F452 HydrophobicContact CB-CD1 3.86Å; P448-F452 HydrophobicContact CB-CE1 4.36Å; P448-F452 HydrophobicContact CG-CD1 4.3Å; G449-F452 PolarHBondContact O-N 3.08Å; F452-K454 VanDerWaalsContact C-N 3.32Å; F452-K454 PolarHBondContact O-N 2.94Å; F452-E455 HydrophobicContact CD2-CB 4.3Å; F452-E455 HydrophobicContact CD2-CG 4.4Å; F452-E455 WeakPolarHBondContact O-CB 3.34Å; F452-E455 PolarHBondContact O-N 3.11Å; F452-I456 HydrophobicContact CD2-CG2 3.84Å; F452-I456 HydrophobicContact CE2-CG2 3.45Å; F452-I456 VanDerWaalsContact CE2-CG2 3.45Å; F452-I456 HydrophobicContact CZ-CG2 3.85Å; F452-I456 WeakPolarHBondContact O-CG2 3.48Å; F452-I456 PolarHBondContact O-N 2.89Å; F452-W459 HydrophobicContact CE2-CH2 4.22Å; F452-W459 HydrophobicContact CE2-CZ2 4.12Å; F452-W459 HydrophobicContact CZ-CH2 4.36Å
453	Y	98.7	Very high	97.4	Very high	36 Å²	36	54 Å²	54	14%	0.141	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-40.6	172.9	179.6	-97.3	0	0	0	112	R440 D441 G449 E455 I456 S457 F462 K464	R440-Y453 VanDerWaalsContact CD-CD2 3.45Å; R440-Y453 HydrophobicContact CG-CD2 3.61Å; R440-Y453 HydrophobicContact CG-CE2 3.63Å; R440-Y453 HydrophobicContact CG-CG 4.26Å; D441-Y453 PolarHBondContact OD1-OH 3.18Å; G449-Y453 WeakPolarHBondContact O-CB 3.36Å; G449-Y453 PolarHBondContact O-N 3.46Å; Y453-E455 VanDerWaalsContact C-N 3.31Å; Y453-E455 PolarHBondContact O-N 3.4Å; Y453-I456 HydrophobicContact CD2-CD1 4.15Å; Y453-I456 HydrophobicContact CD2-CG1 4.45Å; Y453-I456 WeakPolarHBondContact O-CG1 3.35Å; Y453-S457 PolarHBondContact O-N 3.22Å; Y453-S457 VanDerWaalsContact O-N 3.14Å; Y453-F462 HydrophobicContact CE2-CE2 4.2Å; Y453-F462 HydrophobicContact CE2-CZ 4.18Å; Y453-K464 WeakPolarHBondContact OH-CE 3.29Å
454	K	98.6	Very high	96.3	Very high	157 Å²	157	58.9 Å²	58.9	68%	0.683	32%	0.318	S	S	*	.	H	α-helix	trans	-60.4	-43	173.6	-176.7	-177.9	177	-175	0	111.1	D450 A451 F452 S457	D450-K454 WeakPolarHBondContact O-CB 3.35Å; D450-K454 PolarHBondContact O-N 3.15Å; A451-K454 WeakPolarHBondContact O-CB 3.46Å; A451-K454 PolarHBondContact O-N 2.94Å; F452-K454 VanDerWaalsContact C-N 3.32Å; F452-K454 PolarHBondContact O-N 2.94Å; K454-S457 PolarHBondContact O-N 2.93Å; K454-S457 PolarHBondContact O-OG 2.98Å
455	E	98.6	Very high	94.7	Very high	49 Å²	49	56.3 Å²	56.3	23%	0.229	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-54.4	176.9	172.1	54.8	-148.5	0	0	112.2	L407 M413 A451 F452 Y453 S457 T458 W459	L407-E455 HydrophobicContact CD2-CB 3.63Å; L407-E455 HydrophobicContact CD2-CG 4.21Å; M413-E455 HydrophobicContact CE-CG 4.42Å; M413-E455 HydrophobicContact SD-CG 3.7Å; A451-E455 PolarHBondContact O-N 3.21Å; A451-E455 VanDerWaalsContact O-N 3.13Å; F452-E455 HydrophobicContact CD2-CB 4.3Å; F452-E455 HydrophobicContact CD2-CG 4.4Å; F452-E455 WeakPolarHBondContact O-CB 3.34Å; F452-E455 PolarHBondContact O-N 3.11Å; Y453-E455 VanDerWaalsContact C-N 3.31Å; Y453-E455 PolarHBondContact O-N 3.4Å; E455-S457 PolarHBondContact O-N 3.06Å; E455-S457 VanDerWaalsContact O-N 3.08Å; E455-T458 WeakPolarHBondContact O-CB 3.34Å; E455-T458 PolarHBondContact O-N 2.79Å; E455-T458 PolarHBondContact O-OG1 3.01Å; E455-W459 PolarHBondContact OE1-NE1 3.32Å
456	I	98.3	Very high	92.2	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-22.9	-178.2	69.4	176.4	0	0	0	113	I326 L436 P448 F452 Y453 T458 W459 F462	I326-I456 HydrophobicContact CB-CD1 3.98Å; I326-I456 HydrophobicContact CG1-CD1 4.34Å; I326-I456 HydrophobicContact CG2-CD1 4.33Å; I326-I456 HydrophobicContact CG2-CG2 4.21Å; L436-I456 HydrophobicContact CD2-CB 4.07Å; L436-I456 HydrophobicContact CD2-CD1 4.24Å; L436-I456 HydrophobicContact CD2-CG1 4.43Å; P448-I456 HydrophobicContact CG-CD1 3.98Å; F452-I456 HydrophobicContact CD2-CG2 3.84Å; F452-I456 HydrophobicContact CE2-CG2 3.45Å; F452-I456 VanDerWaalsContact CE2-CG2 3.45Å; F452-I456 HydrophobicContact CZ-CG2 3.85Å; F452-I456 WeakPolarHBondContact O-CG2 3.48Å; F452-I456 PolarHBondContact O-N 2.89Å; Y453-I456 HydrophobicContact CD2-CD1 4.15Å; Y453-I456 HydrophobicContact CD2-CG1 4.45Å; Y453-I456 WeakPolarHBondContact O-CG1 3.35Å; I456-T458 PolarHBondContact O-N 3Å; I456-T458 VanDerWaalsContact O-N 3.15Å; I456-W459 HydrophobicContact CB-CD2 4.27Å; I456-W459 HydrophobicContact CB-CE3 4.45Å; I456-W459 HydrophobicContact CG2-CD2 4.25Å; I456-W459 HydrophobicContact CG2-CE3 4.29Å; I456-W459 HydrophobicContact CG2-CH2 3.91Å; I456-W459 HydrophobicContact CG2-CZ2 3.87Å; I456-W459 HydrophobicContact CG2-CZ3 4.13Å; I456-W459 WeakPolarHBondContact O-CB 3.2Å; I456-W459 PolarHBondContact O-N 3.23Å; I456-W459 VanDerWaalsContact O-N 3.11Å; I456-F462 HydrophobicContact CG1-CD2 4.36Å; I456-F462 HydrophobicContact CG1-CE2 4.33Å; I456-F462 WeakPolarHBondContact O-CB 3.29Å; I456-F462 WeakPolarHBondContact O-CD2 3.18Å
457	S	98	Very high	89.7	Confident	51 Å²	51	65.1 Å²	65.1	36%	0.357	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.9	176.1	79	0	0	0	0	113.8	Y453 K454 E455	Y453-S457 PolarHBondContact O-N 3.22Å; Y453-S457 VanDerWaalsContact O-N 3.14Å; K454-S457 PolarHBondContact O-N 2.93Å; K454-S457 PolarHBondContact O-OG 2.98Å; E455-S457 PolarHBondContact O-N 3.06Å; E455-S457 VanDerWaalsContact O-N 3.08Å
458	T	97.8	Very high	86.6	Confident	100 Å²	100	73.7 Å²	73.7	61%	0.613	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-8.4	176.8	72.7	0	0	0	0	113.5	E455 I456	E455-T458 WeakPolarHBondContact O-CB 3.34Å; E455-T458 PolarHBondContact O-N 2.79Å; E455-T458 PolarHBondContact O-OG1 3.01Å; I456-T458 PolarHBondContact O-N 3Å; I456-T458 VanDerWaalsContact O-N 3.15Å
459	W	97.8	Very high	83.3	Confident	14 Å²	14	82.6 Å²	82.6	5%	0.053	41%	0.411	C	S	.	.	S	Bend	trans	-76.4	147.4	-176.9	-62.7	5.3	0	0	0	111.1	I326 M413 R417 L436 F452 E455 I456 H461 F462	I326-W459 HydrophobicContact CD1-CZ3 4.47Å; M413-W459 HydrophobicContact CB-CH2 4.35Å; M413-W459 HydrophobicContact CB-CZ2 4Å; M413-W459 HydrophobicContact CG-CZ2 4.23Å; M413-W459 HydrophobicContact SD-CZ2 4.2Å; R417-W459 HydrophobicContact CB-CD2 4.19Å; R417-W459 HydrophobicContact CB-CE3 3.77Å; R417-W459 HydrophobicContact CB-CH2 3.9Å; R417-W459 HydrophobicContact CB-CZ2 4.27Å; R417-W459 HydrophobicContact CB-CZ3 3.64Å; R417-W459 HydrophobicContact CG-CD2 3.72Å; R417-W459 HydrophobicContact CG-CE3 3.58Å; R417-W459 HydrophobicContact CG-CG 4.18Å; R417-W459 HydrophobicContact CG-CZ3 4.02Å; L436-W459 HydrophobicContact CD1-CE3 3.51Å; L436-W459 HydrophobicContact CD1-CZ3 3.96Å; L436-W459 HydrophobicContact CD2-CE3 4.44Å; F452-W459 HydrophobicContact CE2-CH2 4.22Å; F452-W459 HydrophobicContact CE2-CZ2 4.12Å; F452-W459 HydrophobicContact CZ-CH2 4.36Å; E455-W459 PolarHBondContact OE1-NE1 3.32Å; I456-W459 HydrophobicContact CB-CD2 4.27Å; I456-W459 HydrophobicContact CB-CE3 4.45Å; I456-W459 HydrophobicContact CG2-CD2 4.25Å; I456-W459 HydrophobicContact CG2-CE3 4.29Å; I456-W459 HydrophobicContact CG2-CH2 3.91Å; I456-W459 HydrophobicContact CG2-CZ2 3.87Å; I456-W459 HydrophobicContact CG2-CZ3 4.13Å; I456-W459 WeakPolarHBondContact O-CB 3.2Å; I456-W459 PolarHBondContact O-N 3.23Å; I456-W459 VanDerWaalsContact O-N 3.11Å; W459-H461 VanDerWaalsContact C-N 3.29Å; W459-H461 PolarHBondContact O-N 3.14Å; W459-H461 VanDerWaalsContact O-N 3.14Å; W459-F462 VanDerWaalsContact O-CB 3.29Å; W459-F462 WeakPolarHBondContact O-CB 3.41Å; W459-F462 PolarHBondContact O-N 2.9Å
460	E	94.8	Very high	80.6	Confident	185 Å²	185	92 Å²	92	86%	0.864	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-40.8	-171.2	-177.1	178.3	-179.1	0	0	114.3
461	H	96.4	Very high	79.7	Confident	52 Å²	52	92.1 Å²	92.1	24%	0.241	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	2.9	-176.9	-73.5	-86	0	0	0	114.1	S432 Y434 L436 W459 G463	S432-H461 PolarHBondContact O-CE1 2.88Å; S432-H461 VanDerWaalsContact O-CE1 3.23Å; Y434-H461 AromaticContact CD1-CE1 3.91Å; Y434-H461 AromaticContact CD1-ND1 3.75Å; Y434-H461 HydrophobicContact CD2-CB 4.08Å; Y434-H461 HydrophobicContact CE1-CB 4.33Å; Y434-H461 AromaticContact CE1-CD2 3.59Å; Y434-H461 AromaticContact CE1-CE1 3.58Å; Y434-H461 AromaticContact CE1-CG 3.58Å; Y434-H461 AromaticContact CE1-ND1 3.57Å; Y434-H461 AromaticContact CE1-NE2 3.57Å; Y434-H461 HydrophobicContact CE2-CB 3.52Å; Y434-H461 AromaticContact CE2-CG 3.71Å; Y434-H461 AromaticContact CZ-CD2 3.41Å; Y434-H461 VanDerWaalsContact CZ-CD2 3.41Å; Y434-H461 AromaticContact CZ-CG 3.32Å; Y434-H461 AromaticContact CZ-ND1 3.8Å; Y434-H461 AromaticContact CZ-NE2 3.92Å; Y434-H461 PolarHBondContact O-ND1 2.99Å; Y434-H461 PolarHBondContact OH-CD2 2.93Å; L436-H461 HydrophobicContact CB-CB 4.05Å; L436-H461 PolarHBondContact N-O 3.1Å; W459-H461 VanDerWaalsContact C-N 3.29Å; W459-H461 PolarHBondContact O-N 3.14Å; W459-H461 VanDerWaalsContact O-N 3.14Å; H461-G463 PolarHBondContact O-N 2.66Å
462	F	97.7	Very high	78.7	Confident	44 Å²	44	95.7 Å²	95.7	19%	0.193	49%	0.487	C	S	.	.	B	Isolated β-bridge	trans	-64.9	127.4	-179.4	-176.9	-97.5	0	0	0	111.2	L436 Y453 I456 W459	L436-F462 HydrophobicContact CD2-CD2 3.93Å; L436-F462 WeakPolarHBondContact O-CA 3.38Å; Y453-F462 HydrophobicContact CE2-CE2 4.2Å; Y453-F462 HydrophobicContact CE2-CZ 4.18Å; I456-F462 HydrophobicContact CG1-CD2 4.36Å; I456-F462 HydrophobicContact CG1-CE2 4.33Å; I456-F462 WeakPolarHBondContact O-CB 3.29Å; I456-F462 WeakPolarHBondContact O-CD2 3.18Å; W459-F462 VanDerWaalsContact O-CB 3.29Å; W459-F462 WeakPolarHBondContact O-CB 3.41Å; W459-F462 PolarHBondContact O-N 2.9Å
463	G	91.6	Very high	77.6	Confident	21 Å²	21	101 Å²	101	22%	0.216	51%	0.514	C	S	.	.			trans	-155.4	132.9	-179.1	0	0	0	0	0	113.5	T435 L436 Q437 H461	T435-G463 WeakPolarHBondContact CG2-O 3.46Å; L436-G463 PolarHBondContact O-N 3.22Å; Q437-G463 WeakPolarHBondContact CG-O 3.21Å; Q437-G463 PolarHBondContact NE2-O 3.05Å; H461-G463 PolarHBondContact O-N 2.66Å
464	K	73.8	Confident	76.4	Confident	141 Å²	141	104.8 Å²	104.8	61%	0.613	54%	0.536	S	S	*	.			trans	-84.3	115.8	168.6	-65.5	-175.1	177	-175.7	0	108.5	Y453 K466	Y453-K464 WeakPolarHBondContact OH-CE 3.29Å; K464-K466 PolarHBondContact O-N 2.9Å
465	V	60.8	Low	75	Confident	80 Å²	80	101.6 Å²	101.6	49%	0.485	53%	0.527	S	S	.	.			trans	-63	113.4	167.1	175.7	0	0	0	0	105.9	F323 Q437 T467	F323-V465 HydrophobicContact CE1-CG2 3.6Å; F323-V465 HydrophobicContact CZ-CG2 3.9Å; Q437-V465 VanDerWaalsContact NE2-N 3.2Å; V465-T467 PolarHBondContact O-N 2.89Å
466	K	44.9	Very low	73.4	Confident	195 Å²	195	105.1 Å²	105.1	85%	0.848	55%	0.546	S	S	*	.			trans	-59.8	105.3	169.3	-74.4	-178.7	179.6	178	0	106.2	K464 Q468	K464-K466 PolarHBondContact O-N 2.9Å; K466-Q468 PolarHBondContact O-N 3.03Å
467	T	44.3	Very low	71.6	Confident	120 Å²	120	112.6 Å²	112.6	74%	0.736	59%	0.586	S	S	*	*			trans	-56.2	106.4	163.6	46	0	0	0	0	106	V465 K469	V465-T467 PolarHBondContact O-N 2.89Å; T467-K469 VanDerWaalsContact C-N 3.33Å; T467-K469 PolarHBondContact O-N 2.96Å
468	Q	33.1	Very low	69.6	Low	188 Å²	188	117.3 Å²	117.3	88%	0.879	60%	0.603	S	S	*	*			trans	-57.1	109.6	158.6	-79.7	-179.9	-10.9	0	0	104.5	K466	K466-Q468 PolarHBondContact O-N 3.03Å
469	K	30.1	Very low	67.2	Low	187 Å²	187	118.8 Å²	118.8	81%	0.813	60%	0.602	S	S	*	*			trans	-56.1	136.1	168.2	-85.4	-177.5	173	-178.3	0	106.6	T467	T467-K469 VanDerWaalsContact C-N 3.33Å; T467-K469 PolarHBondContact O-N 2.96Å
470	P	41.4	Very low	64.4	Low	198 Å²	198	128.3 Å²	128.3	100%	1.286	65%	0.652	S	S	*	*			trans	-56	0	-179.9	24.4	-33.6	0	0	0	112.2

Retrieved 470 of 470 residues in 518 ms (Link to these results)

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