A0A093H4S9_STRCA Loading...

Zinc finger BED domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A093H4S9, Species STRCA (Struthio camelus australis), Gene n/a, Length 695 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	32.5	Very low	33	Very low	240 Å²	240	148 Å²	148	100%	1.182	83%	0.826	S	S	*	*				0	128.5	0	-68.4	172.6	175.2	0	0	106.8
2	E	30	Very low	34.9	Very low	189 Å²	189	148.4 Å²	148.4	88%	0.883	83%	0.825	S	S	*	*			cis	-163.6	145.5	-13	-118.2	178	164.4	0	0	103.3
3	N	34.3	Very low	37.2	Very low	161 Å²	161	142 Å²	142	86%	0.861	79%	0.788	S	S	*	*			trans	-66.8	149.9	177.3	-88.3	-28.9	0	0	0	112.8
4	K	29.8	Very low	40	Very low	200 Å²	200	141.6 Å²	141.6	87%	0.87	77%	0.774	S	S	*	*			trans	-177.5	97.6	139.2	-101.1	170.6	-176.8	-178.3	0	108.3
5	S	27.1	Very low	43	Very low	95 Å²	95	133.7 Å²	133.7	66%	0.664	73%	0.731	S	S	*	*				72.4	107	84.6	65.2	0	0	0	0	115.2
6	L	34.5	Very low	45.7	Very low	165 Å²	165	128.6 Å²	128.6	86%	0.864	70%	0.704	S	S	*	*			trans	47.7	119.9	136.8	-69	148.5	0	0	0	119.5
7	E	26.9	Very low	47.9	Very low	199 Å²	199	123.5 Å²	123.5	93%	0.93	68%	0.683	S	S	*	*				174.5	137.5	112.8	-96.5	174	-177.1	0	0	111.3
8	G	27.7	Very low	49.6	Very low	73 Å²	73	118.9 Å²	118.9	75%	0.753	66%	0.656	S	S	*	*			trans	143	70.7	173.5	0	0	0	0	0	113.2
9	S	34.7	Very low	50.8	Low	93 Å²	93	118.2 Å²	118.2	65%	0.65	66%	0.657	S	S	*	*			trans	-52.2	131.8	158.7	50.3	0	0	0	0	109.8	S11	S9-S11 PolarHBondContact O-N 3.34Å; S9-S11 PolarHBondContact O-OG 3.39Å
10	P	41.4	Very low	51.9	Low	119 Å²	119	123.2 Å²	123.2	77%	0.773	67%	0.666	S	S	*	*			trans	-78.6	76.6	164.4	31.6	-28.2	0	0	0	107.6	D12	P10-D12 PolarHBondContact O-N 2.88Å
11	S	43.9	Very low	52.9	Low	94 Å²	94	119.1 Å²	119.1	66%	0.657	65%	0.649	S	S	*	*			trans	-60.6	116.5	162.3	30.1	0	0	0	0	109	S9	S9-S11 PolarHBondContact O-N 3.34Å; S9-S11 PolarHBondContact O-OG 3.39Å
12	D	55.6	Low	54.8	Low	153 Å²	153	116.9 Å²	116.9	82%	0.818	63%	0.632	S	S	*	*			trans	48	69.1	160.7	-66.4	-18.8	0	0	0	118.4	P10 K14	P10-D12 PolarHBondContact O-N 2.88Å; D12-K14 PolarHBondContact O-N 3.49Å; D12-K14 VanDerWaalsContact O-N 3.16Å
13	L	65.4	Low	57.2	Low	65 Å²	65	109.6 Å²	109.6	34%	0.34	60%	0.602	S	S	.	*			trans	-63.5	111.5	158.3	-68.5	168.5	0	0	0	109.4	L15 D32 M51	L13-L15 HydrophobicContact CB-CD2 4.27Å; L13-L15 HydrophobicContact CB-CG 4.49Å; L13-L15 PolarHBondContact O-N 3.01Å; L13-D32 HydrophobicContact CD2-CB 4.41Å; L13-D32 VanDerWaalsContact CD2-OD1 3.25Å; L13-D32 WeakPolarHBondContact CD2-OD1 3.41Å; L13-D32 VanDerWaalsContact CD2-OD2 3.32Å; L13-D32 WeakPolarHBondContact CD2-OD2 3.38Å; L13-M51 HydrophobicContact CB-CE 4.38Å; L13-M51 HydrophobicContact CD1-CE 3.79Å
14	K	76	Confident	59.6	Low	136 Å²	136	105 Å²	105	59%	0.591	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.2	97.8	172.4	-83	-176.4	178.5	174.8	0	109.6	D12 T33	D12-K14 PolarHBondContact O-N 3.49Å; D12-K14 VanDerWaalsContact O-N 3.16Å; K14-T33 WeakPolarHBondContact CB-OG1 3.32Å; K14-T33 PolarHBondContact O-N 3.48Å; K14-T33 PolarHBondContact O-OG1 2.93Å
15	L	85.6	Confident	62.3	Low	24 Å²	24	95.5 Å²	95.5	13%	0.126	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	121.6	-179.7	-60.7	-177.4	0	0	0	112.3	L13 F31 D32 Y46 R48 M51	L13-L15 HydrophobicContact CB-CD2 4.27Å; L13-L15 HydrophobicContact CB-CG 4.49Å; L13-L15 PolarHBondContact O-N 3.01Å; L15-F31 CarbonylContact C-O 3.55Å; L15-F31 VanDerWaalsContact CA-O 3.29Å; L15-F31 WeakPolarHBondContact CA-O 3.45Å; L15-D32 HydrophobicContact CD2-CB 4.38Å; L15-Y46 HydrophobicContact CD2-CD2 3.97Å; L15-Y46 HydrophobicContact CD2-CG 4.18Å; L15-R48 HydrophobicContact CD1-CG 4.06Å; L15-R48 PolarHBondContact O-NH1 3.08Å; L15-R48 VanDerWaalsContact O-NH1 3.11Å; L15-R48 PolarHBondContact O-NH2 3.34Å; L15-M51 HydrophobicContact CD1-CE 4.25Å; L15-M51 HydrophobicContact CD1-SD 4.14Å
16	V	85.3	Confident	65.2	Low	51 Å²	51	91.9 Å²	91.9	31%	0.309	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	145.2	175.3	-57	0	0	0	0	112	G30 F31 T33 I39	V16-G30 CarbonylContact O-C 3.57Å; V16-G30 WeakPolarHBondContact O-CA 3.49Å; V16-F31 PolarHBondContact N-O 2.96Å; V16-F31 PolarHBondContact O-N 3.16Å; V16-T33 HydrophobicContact CB-CG2 4.09Å; V16-T33 HydrophobicContact CG1-CG2 3.73Å; V16-T33 HydrophobicContact CG2-CG2 3.29Å; V16-I39 HydrophobicContact CG2-CD1 4.09Å; V16-I39 HydrophobicContact CG2-CG1 3.77Å
17	A	82.8	Confident	67.7	Low	42 Å²	42	90 Å²	90	35%	0.347	49%	0.49	S	S	.	.			trans	-72	161.6	173.5	0	0	0	0	0	111.4	W26	A17-W26 HydrophobicContact CB-CB 4.17Å
18	H	79.8	Confident	70.7	Confident	41 Å²	41	81.4 Å²	81.4	19%	0.19	45%	0.449	C	S	.	.			trans	-60.1	133.7	175.8	-171.3	-83.1	0	0	0	111.1	R20 A21 W26 F31 W42	H18-R20 PolarHBondContact ND1-N 2.81Å; H18-R20 VanDerWaalsContact ND1-N 3.12Å; H18-R20 PolarHBondContact O-N 3.18Å; H18-A21 HydrophobicContact CB-CB 4.15Å; H18-A21 WeakPolarHBondContact O-CB 3.33Å; H18-A21 PolarHBondContact O-N 3.45Å; H18-W26 HydrophobicContact CB-CD2 4.19Å; H18-W26 HydrophobicContact CB-CE3 3.94Å; H18-W26 HydrophobicContact CB-CH2 3.49Å; H18-W26 VanDerWaalsContact CB-CH2 3.49Å; H18-W26 HydrophobicContact CB-CZ2 3.75Å; H18-W26 HydrophobicContact CB-CZ3 3.56Å; H18-F31 HydrophobicContact CB-CE2 4.09Å; H18-W42 AromaticContact CD2-CZ3 3.64Å; H18-W42 AromaticContact NE2-CZ3 3.64Å
19	P	72.5	Confident	73.7	Confident	105 Å²	105	77.9 Å²	77.9	68%	0.682	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24	-175	-25.6	33.5	0	0	0	115.1	W42	P19-W42 HydrophobicContact CG-CH2 4.19Å
20	R	72.4	Confident	76.4	Confident	219 Å²	219	73.5 Å²	73.5	83%	0.826	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	16.9	175.9	-58.1	-178.6	178.3	171	-0.6	113.8	H18 K22	H18-R20 PolarHBondContact ND1-N 2.81Å; H18-R20 VanDerWaalsContact ND1-N 3.12Å; H18-R20 PolarHBondContact O-N 3.18Å; R20-K22 PolarHBondContact O-N 3.11Å
21	A	73.8	Confident	78.8	Confident	37 Å²	37	67.8 Å²	67.8	31%	0.306	35%	0.346	S	S	.	.			trans	-62.9	118.5	-179.8	0	0	0	0	0	111.7	H18 W26	H18-A21 HydrophobicContact CB-CB 4.15Å; H18-A21 WeakPolarHBondContact O-CB 3.33Å; H18-A21 PolarHBondContact O-N 3.45Å; A21-W26 HydrophobicContact CB-CB 3.95Å; A21-W26 HydrophobicContact CB-CD2 3.81Å; A21-W26 HydrophobicContact CB-CG 3.4Å
22	K	71.6	Confident	81	Confident	193 Å²	193	64.9 Å²	64.9	84%	0.839	32%	0.323	S	S	*	.			trans	-107.2	-21.1	171.5	-64.8	-174.2	179.2	-177.1	0	113.7	R20	R20-K22 PolarHBondContact O-N 3.11Å
23	S	80.4	Confident	82.4	Confident	36 Å²	36	58.1 Å²	58.1	25%	0.252	29%	0.287	S	S	.	.	S	Bend	trans	-81.3	146.1	-178	172.8	0	0	0	0	111.8	V25 W26	S23-V25 PolarHBondContact O-N 2.9Å; S23-V25 VanDerWaalsContact OG-CG1 3.31Å; S23-V25 WeakPolarHBondContact OG-CG1 3.44Å; S23-V25 PolarHBondContact OG-N 2.81Å; S23-W26 PolarHBondContact O-N 3.11Å
24	K	84.1	Confident	83.1	Confident	66 Å²	66	57.6 Å²	57.6	29%	0.287	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-68.6	-13.6	174.9	-72.1	-177.3	171.8	177.6	0	113.8	W26 K27 F78 S81	K24-W26 PolarHBondContact O-N 3.37Å; K24-W26 VanDerWaalsContact O-N 3.1Å; K24-K27 VanDerWaalsContact O-CB 3.28Å; K24-K27 WeakPolarHBondContact O-CB 3.4Å; K24-K27 PolarHBondContact O-N 3.09Å; K24-F78 HydrophobicContact CB-CD2 4.21Å; K24-F78 HydrophobicContact CB-CE2 4.3Å; K24-S81 VanDerWaalsContact CD-OG 3.25Å; K24-S81 WeakPolarHBondContact CD-OG 3.25Å; K24-S81 PolarHBondContact NZ-O 2.7Å; K24-S81 PolarHBondContact NZ-OG 3.13Å
25	V	85.8	Confident	82.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-57	-28.8	176.9	75.3	0	0	0	0	111.9	S23 K27 Y28 F29 T60 L63 L67 F78	S23-V25 PolarHBondContact O-N 2.9Å; S23-V25 VanDerWaalsContact OG-CG1 3.31Å; S23-V25 WeakPolarHBondContact OG-CG1 3.44Å; S23-V25 PolarHBondContact OG-N 2.81Å; V25-K27 PolarHBondContact O-N 3.39Å; V25-K27 VanDerWaalsContact O-N 3.13Å; V25-Y28 PolarHBondContact O-N 2.96Å; V25-F29 HydrophobicContact CG2-CD2 4.06Å; V25-F29 HydrophobicContact CG2-CE2 3.91Å; V25-F29 WeakPolarHBondContact O-CD2 3.21Å; V25-T60 HydrophobicContact CG1-CG2 3.62Å; V25-L63 HydrophobicContact CG1-CD2 4.48Å; V25-L63 HydrophobicContact CG2-CB 3.98Å; V25-L67 HydrophobicContact CG2-CD1 4.01Å; V25-F78 HydrophobicContact CB-CD2 4.26Å; V25-F78 HydrophobicContact CB-CE2 3.66Å; V25-F78 HydrophobicContact CB-CZ 3.86Å; V25-F78 HydrophobicContact CG2-CE2 4.38Å; V25-F78 HydrophobicContact CG2-CZ 4.28Å; V25-F78 VanDerWaalsContact N-CE2 3.29Å
26	W	88.8	Confident	82.2	Confident	18 Å²	18	60.9 Å²	60.9	7%	0.068	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-67.8	-9.2	179.4	-63.7	102.6	0	0	0	114	A17 H18 A21 S23 K24 Y28 F31 I45 Y56 T60 L63	A17-W26 HydrophobicContact CB-CB 4.17Å; H18-W26 HydrophobicContact CB-CD2 4.19Å; H18-W26 HydrophobicContact CB-CE3 3.94Å; H18-W26 HydrophobicContact CB-CH2 3.49Å; H18-W26 VanDerWaalsContact CB-CH2 3.49Å; H18-W26 HydrophobicContact CB-CZ2 3.75Å; H18-W26 HydrophobicContact CB-CZ3 3.56Å; A21-W26 HydrophobicContact CB-CB 3.95Å; A21-W26 HydrophobicContact CB-CD2 3.81Å; A21-W26 HydrophobicContact CB-CG 3.4Å; S23-W26 PolarHBondContact O-N 3.11Å; K24-W26 PolarHBondContact O-N 3.37Å; K24-W26 VanDerWaalsContact O-N 3.1Å; W26-Y28 PolarHBondContact O-N 2.79Å; W26-F31 AromaticContact CH2-CE2 3.98Å; W26-F31 HydrophobicContact CH2-CE2 3.98Å; W26-F31 HydrophobicContact CH2-CZ 4.34Å; W26-F31 HydrophobicContact CZ3-CD2 4.43Å; W26-F31 AromaticContact CZ3-CE2 3.64Å; W26-F31 HydrophobicContact CZ3-CE2 3.64Å; W26-F31 HydrophobicContact CZ3-CZ 4.28Å; W26-I45 HydrophobicContact CE3-CD1 4.04Å; W26-I45 HydrophobicContact CH2-CD1 4.06Å; W26-I45 HydrophobicContact CZ3-CD1 3.32Å; W26-Y56 HydrophobicContact CH2-CD2 4.33Å; W26-Y56 AromaticContact CH2-CE2 3.63Å; W26-Y56 HydrophobicContact CH2-CE2 3.63Å; W26-Y56 AromaticContact CH2-CZ 3.75Å; W26-Y56 HydrophobicContact CZ2-CE2 4.02Å; W26-T60 HydrophobicContact CZ2-CG2 3.98Å; W26-L63 HydrophobicContact CH2-CD2 4.32Å; W26-L63 HydrophobicContact CZ3-CD2 4.36Å
27	K	86.8	Confident	81.5	Confident	126 Å²	126	60.4 Å²	60.4	55%	0.548	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-60.8	-31.8	166.8	-177.1	-176.5	172.8	-164.5	0	111.6	K24 V25 R48 E77	K24-K27 VanDerWaalsContact O-CB 3.28Å; K24-K27 WeakPolarHBondContact O-CB 3.4Å; K24-K27 PolarHBondContact O-N 3.09Å; V25-K27 PolarHBondContact O-N 3.39Å; V25-K27 VanDerWaalsContact O-N 3.13Å; K27-R48 WeakPolarHBondContact O-CD 3.49Å; K27-E77 IonicContact NZ-OE1 3.01Å; K27-E77 PolarHBondContact NZ-OE1 3.26Å; K27-E77 IonicContact NZ-OE2 3.78Å
28	Y	90	Very high	81.3	Confident	18 Å²	18	62.1 Å²	62.1	7%	0.071	33%	0.33	C	S	.	.	S	Bend	trans	-102.3	-5.7	-172	-54.1	-79.1	0	0	0	113.5	V25 W26 R48 I49 L67 E74 E77 F78	V25-Y28 PolarHBondContact O-N 2.96Å; W26-Y28 PolarHBondContact O-N 2.79Å; Y28-R48 WeakPolarHBondContact O-CB 3.36Å; Y28-R48 PolarHBondContact O-N 3.13Å; Y28-I49 HydrophobicContact CD1-CD1 3.88Å; Y28-I49 HydrophobicContact CD1-CG1 4.42Å; Y28-L67 HydrophobicContact CD2-CD1 3.84Å; Y28-L67 HydrophobicContact CG-CD1 4.14Å; Y28-L67 HydrophobicContact CG-CD2 4.14Å; Y28-E74 HydrophobicContact CD1-CB 4.31Å; Y28-E74 HydrophobicContact CE1-CB 3.8Å; Y28-E74 HydrophobicContact CE1-CG 4.06Å; Y28-E77 PolarHBondContact OH-OE2 3.4Å; Y28-F78 HydrophobicContact CE2-CB 3.97Å
29	F	92.1	Very high	81.5	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	155.2	-176.1	-61	-82.3	0	0	0	112.7	V25 I45 Y46 C47 R48 I54 L63 H66 L67	V25-F29 HydrophobicContact CG2-CD2 4.06Å; V25-F29 HydrophobicContact CG2-CE2 3.91Å; V25-F29 WeakPolarHBondContact O-CD2 3.21Å; F29-I45 HydrophobicContact CB-CD1 3.53Å; F29-I45 HydrophobicContact CB-CG1 4.02Å; F29-I45 HydrophobicContact CG-CD1 4.41Å; F29-Y46 CarbonylContact C-O 3.47Å; F29-Y46 VanDerWaalsContact CA-O 3.27Å; F29-Y46 WeakPolarHBondContact CA-O 3.27Å; F29-C47 HydrophobicContact CD1-CB 4.04Å; F29-C47 HydrophobicContact CE1-CB 3.73Å; F29-R48 PolarHBondContact O-NE 3.33Å; F29-R48 VanDerWaalsContact O-NE 3.13Å; F29-I54 HydrophobicContact CD1-CD1 3.96Å; F29-I54 HydrophobicContact CE1-CD1 3.31Å; F29-I54 HydrophobicContact CZ-CD1 4.2Å; F29-L63 HydrophobicContact CB-CD2 4.24Å; F29-L63 HydrophobicContact CD1-CG 4.45Å; F29-L63 HydrophobicContact CD2-CB 3.88Å; F29-L63 HydrophobicContact CD2-CD2 3.96Å; F29-L63 HydrophobicContact CD2-CG 4.07Å; F29-L63 HydrophobicContact CE2-CB 3.64Å; F29-L63 HydrophobicContact CE2-CG 4.25Å; F29-L63 HydrophobicContact CG-CB 4.44Å; F29-L63 HydrophobicContact CG-CD2 4.08Å; F29-L63 HydrophobicContact CG-CG 4.17Å; F29-L63 HydrophobicContact CZ-CB 4.01Å; F29-L63 VanDerWaalsContact CZ-O 3.31Å; F29-L63 WeakPolarHBondContact CZ-O 3.25Å; F29-H66 AromaticContact CE1-CD2 3.69Å; F29-H66 HydrophobicContact CZ-CB 4.38Å; F29-H66 AromaticContact CZ-CD2 3.7Å; F29-L67 HydrophobicContact CE2-CD1 3.75Å; F29-L67 HydrophobicContact CE2-CD2 4.29Å; F29-L67 HydrophobicContact CE2-CG 3.71Å; F29-L67 HydrophobicContact CZ-CD1 4.35Å; F29-L67 HydrophobicContact CZ-CD2 4.24Å; F29-L67 HydrophobicContact CZ-CG 3.79Å
30	G	91.1	Very high	81.9	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	156.6	173.8	0	0	0	0	0	113.6	V16 I45 Y46	V16-G30 CarbonylContact O-C 3.57Å; V16-G30 WeakPolarHBondContact O-CA 3.49Å; G30-I45 VanDerWaalsContact O-CG1 3.31Å; G30-I45 WeakPolarHBondContact O-CG1 3.31Å; G30-Y46 PolarHBondContact N-O 3.46Å; G30-Y46 PolarHBondContact O-N 3.37Å
31	F	91.5	Very high	82.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	144.2	173.3	-67.1	-78.5	0	0	0	110.3	L15 V16 H18 W26 I39 W42 K44 I45 Y56	L15-F31 CarbonylContact C-O 3.55Å; L15-F31 VanDerWaalsContact CA-O 3.29Å; L15-F31 WeakPolarHBondContact CA-O 3.45Å; V16-F31 PolarHBondContact N-O 2.96Å; V16-F31 PolarHBondContact O-N 3.16Å; H18-F31 HydrophobicContact CB-CE2 4.09Å; W26-F31 AromaticContact CH2-CE2 3.98Å; W26-F31 HydrophobicContact CH2-CE2 3.98Å; W26-F31 HydrophobicContact CH2-CZ 4.34Å; W26-F31 HydrophobicContact CZ3-CD2 4.43Å; W26-F31 AromaticContact CZ3-CE2 3.64Å; W26-F31 HydrophobicContact CZ3-CE2 3.64Å; W26-F31 HydrophobicContact CZ3-CZ 4.28Å; F31-I39 HydrophobicContact CB-CB 4.41Å; F31-I39 HydrophobicContact CB-CD1 4.08Å; F31-I39 HydrophobicContact CB-CG1 3.89Å; F31-I39 HydrophobicContact CB-CG2 3.72Å; F31-I39 HydrophobicContact CD1-CG2 4.24Å; F31-I39 HydrophobicContact CD2-CD1 4.1Å; F31-I39 HydrophobicContact CG-CD1 4.24Å; F31-I39 HydrophobicContact CG-CG2 4.05Å; F31-W42 WeakPolarHBondContact CE1-O 3.22Å; F31-K44 WeakPolarHBondContact CD1-O 3.29Å; F31-I45 HydrophobicContact CD1-CB 4.23Å; F31-I45 HydrophobicContact CD1-CG1 4.32Å; F31-I45 HydrophobicContact CE1-CB 3.86Å; F31-I45 HydrophobicContact CE1-CD1 4.49Å; F31-I45 HydrophobicContact CE1-CG1 4.17Å; F31-I45 HydrophobicContact CE2-CD1 4.11Å; F31-I45 HydrophobicContact CE2-CG1 4.42Å; F31-I45 HydrophobicContact CG-CG1 4.49Å; F31-I45 HydrophobicContact CZ-CB 4.23Å; F31-I45 HydrophobicContact CZ-CD1 4.05Å; F31-I45 HydrophobicContact CZ-CG1 4.22Å; F31-Y56 HydrophobicContact CE1-CD1 4.14Å; F31-Y56 HydrophobicContact CE1-CG 4.33Å; F31-Y56 AromaticContact CZ-CD1 3.61Å; F31-Y56 HydrophobicContact CZ-CD1 3.61Å; F31-Y56 AromaticContact CZ-CE1 3.98Å; F31-Y56 HydrophobicContact CZ-CE1 3.98Å; F31-Y56 AromaticContact CZ-CG 3.89Å; F31-Y56 HydrophobicContact CZ-CG 3.89Å
32	D	89.2	Confident	82.7	Confident	33 Å²	33	59.8 Å²	59.8	18%	0.176	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	143.4	174	-171.3	26.9	0	0	0	111.8	L13 L15 I39 L40 Y46	L13-D32 HydrophobicContact CD2-CB 4.41Å; L13-D32 VanDerWaalsContact CD2-OD1 3.25Å; L13-D32 WeakPolarHBondContact CD2-OD1 3.41Å; L13-D32 VanDerWaalsContact CD2-OD2 3.32Å; L13-D32 WeakPolarHBondContact CD2-OD2 3.38Å; L15-D32 HydrophobicContact CD2-CB 4.38Å; D32-I39 WeakPolarHBondContact O-CA 3.48Å; D32-L40 PolarHBondContact O-N 2.99Å; D32-L40 WeakPolarHBondContact OD2-CD1 3.28Å; D32-Y46 HydrophobicContact CB-CD2 4.36Å; D32-Y46 HydrophobicContact CB-CE2 4.02Å
33	T	85.3	Confident	83.4	Confident	11 Å²	11	58.7 Å²	58.7	7%	0.067	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	153.4	-174.9	59.7	0	0	0	0	113	K14 V16 C38 I39	K14-T33 WeakPolarHBondContact CB-OG1 3.32Å; K14-T33 PolarHBondContact O-N 3.48Å; K14-T33 PolarHBondContact O-OG1 2.93Å; V16-T33 HydrophobicContact CB-CG2 4.09Å; V16-T33 HydrophobicContact CG1-CG2 3.73Å; V16-T33 HydrophobicContact CG2-CG2 3.29Å; T33-C38 WeakPolarHBondContact CA-O 3.37Å; T33-C38 WeakPolarHBondContact CB-O 3.19Å; T33-I39 HydrophobicContact CG2-CG1 4.11Å
34	N	79.7	Confident	83.7	Confident	54 Å²	54	60.5 Å²	60.5	29%	0.289	31%	0.309	S	S	.	.			trans	-73.5	177.6	167.1	66.1	-0.7	0	0	0	111.8	E36 G37 C38 L40	N34-E36 PolarHBondContact ND2-OE2 3.49Å; N34-E36 PolarHBondContact O-N 3.37Å; N34-E36 VanDerWaalsContact O-N 3.08Å; N34-E36 PolarHBondContact OD1-N 3.05Å; N34-E36 PolarHBondContact OD1-OE2 3.01Å; N34-G37 PolarHBondContact O-N 3.24Å; N34-G37 PolarHBondContact OD1-N 2.77Å; N34-G37 VanDerWaalsContact OD1-N 3.11Å; N34-C38 PolarHBondContact N-O 3.41Å; N34-C38 VanDerWaalsContact N-O 3.09Å; N34-C38 WeakPolarHBondContact OD1-CA 3.49Å; N34-C38 WeakPolarHBondContact OD1-CB 3.06Å; N34-C38 PolarHBondContact OD1-N 3.13Å; N34-C38 PolarHBondContact OD1-O 3.03Å; N34-L40 HydrophobicContact CB-CD2 4.15Å
35	A	72.3	Confident	84.1	Confident	83 Å²	83	57.3 Å²	57.3	69%	0.686	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-24.4	179.9	0	0	0	0	0	113.2
36	E	70.4	Confident	84.3	Confident	145 Å²	145	59.2 Å²	59.2	68%	0.678	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	0.8	178.5	-57	72.9	-156.2	0	0	114	N34	N34-E36 PolarHBondContact ND2-OE2 3.49Å; N34-E36 PolarHBondContact O-N 3.37Å; N34-E36 VanDerWaalsContact O-N 3.08Å; N34-E36 PolarHBondContact OD1-N 3.05Å; N34-E36 PolarHBondContact OD1-OE2 3.01Å
37	G	71.3	Confident	84.5	Confident	42 Å²	42	58.3 Å²	58.3	43%	0.433	30%	0.299	S	S	.	.			trans	80.6	11.9	176.5	0	0	0	0	0	115.5	N34	N34-G37 PolarHBondContact O-N 3.24Å; N34-G37 PolarHBondContact OD1-N 2.77Å; N34-G37 VanDerWaalsContact OD1-N 3.11Å
38	C	77.8	Confident	84.7	Confident	78 Å²	78	57.2 Å²	57.2	53%	0.527	29%	0.292	S	S	.	.			trans	-82.8	134	173.5	-70.1	0	0	0	0	111.4	T33 N34 L40	T33-C38 WeakPolarHBondContact CA-O 3.37Å; T33-C38 WeakPolarHBondContact CB-O 3.19Å; N34-C38 PolarHBondContact N-O 3.41Å; N34-C38 VanDerWaalsContact N-O 3.09Å; N34-C38 WeakPolarHBondContact OD1-CA 3.49Å; N34-C38 WeakPolarHBondContact OD1-CB 3.06Å; N34-C38 PolarHBondContact OD1-N 3.13Å; N34-C38 PolarHBondContact OD1-O 3.03Å; C38-L40 PolarHBondContact O-N 2.9Å
39	I	84.5	Confident	84.7	Confident	27 Å²	27	59.7 Å²	59.7	14%	0.138	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-68.5	123.6	-178.4	-68	166.9	0	0	0	110.7	V16 F31 D32 T33 W42	V16-I39 HydrophobicContact CG2-CD1 4.09Å; V16-I39 HydrophobicContact CG2-CG1 3.77Å; F31-I39 HydrophobicContact CB-CB 4.41Å; F31-I39 HydrophobicContact CB-CD1 4.08Å; F31-I39 HydrophobicContact CB-CG1 3.89Å; F31-I39 HydrophobicContact CB-CG2 3.72Å; F31-I39 HydrophobicContact CD1-CG2 4.24Å; F31-I39 HydrophobicContact CD2-CD1 4.1Å; F31-I39 HydrophobicContact CG-CD1 4.24Å; F31-I39 HydrophobicContact CG-CG2 4.05Å; D32-I39 WeakPolarHBondContact O-CA 3.48Å; T33-I39 HydrophobicContact CG2-CG1 4.11Å; I39-W42 HydrophobicContact CB-CZ2 4.06Å; I39-W42 HydrophobicContact CD1-CE3 4.33Å; I39-W42 HydrophobicContact CD1-CH2 3.48Å; I39-W42 VanDerWaalsContact CD1-CH2 3.48Å; I39-W42 HydrophobicContact CD1-CZ2 3.68Å; I39-W42 HydrophobicContact CD1-CZ3 3.82Å; I39-W42 HydrophobicContact CG1-CZ2 4.4Å; I39-W42 HydrophobicContact CG2-CD2 4Å; I39-W42 HydrophobicContact CG2-CG 4.14Å; I39-W42 HydrophobicContact CG2-CZ2 4.43Å
40	L	81	Confident	84.5	Confident	98 Å²	98	62.6 Å²	62.6	51%	0.513	33%	0.325	S	S	.	.	S	Bend	trans	-75.5	-44.2	-177.5	-67.8	173	0	0	0	112.5	D32 N34 C38	D32-L40 PolarHBondContact O-N 2.99Å; D32-L40 WeakPolarHBondContact OD2-CD1 3.28Å; N34-L40 HydrophobicContact CB-CD2 4.15Å; C38-L40 PolarHBondContact O-N 2.9Å
41	Q	82.1	Confident	84.4	Confident	99 Å²	99	67 Å²	67	46%	0.463	35%	0.347	S	S	.	.			trans	-140.6	107.3	-176.9	-65	-171.6	6.3	0	0	112.7	K43 K44	Q41-K43 VanDerWaalsContact C-N 3.27Å; Q41-K43 PolarHBondContact O-N 2.85Å; Q41-K44 HydrophobicContact CB-CB 4.39Å; Q41-K44 PolarHBondContact O-N 2.96Å; Q41-K44 VanDerWaalsContact O-O 3.1Å
42	W	81.9	Confident	84.1	Confident	128 Å²	128	68.8 Å²	68.8	49%	0.485	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.9	-178.2	-71.5	89.2	0	0	0	115.4	H18 P19 F31 I39 Y56	H18-W42 AromaticContact CD2-CZ3 3.64Å; H18-W42 AromaticContact NE2-CZ3 3.64Å; P19-W42 HydrophobicContact CG-CH2 4.19Å; F31-W42 WeakPolarHBondContact CE1-O 3.22Å; I39-W42 HydrophobicContact CB-CZ2 4.06Å; I39-W42 HydrophobicContact CD1-CE3 4.33Å; I39-W42 HydrophobicContact CD1-CH2 3.48Å; I39-W42 VanDerWaalsContact CD1-CH2 3.48Å; I39-W42 HydrophobicContact CD1-CZ2 3.68Å; I39-W42 HydrophobicContact CD1-CZ3 3.82Å; I39-W42 HydrophobicContact CG1-CZ2 4.4Å; I39-W42 HydrophobicContact CG2-CD2 4Å; I39-W42 HydrophobicContact CG2-CG 4.14Å; I39-W42 HydrophobicContact CG2-CZ2 4.43Å; W42-Y56 WeakPolarHBondContact O-CD1 3.25Å
43	K	85.3	Confident	84.2	Confident	170 Å²	170	72.2 Å²	72.2	74%	0.739	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-6.5	178.9	-67.8	-172.2	177.2	-177.7	0	113.5	Q41 Y56	Q41-K43 VanDerWaalsContact C-N 3.27Å; Q41-K43 PolarHBondContact O-N 2.85Å; K43-Y56 PolarHBondContact O-N 3.31Å
44	K	86.4	Confident	84.4	Confident	74 Å²	74	72.8 Å²	72.8	32%	0.322	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.9	-177.1	-64.5	-174.2	-171.3	165.5	0	109.9	F31 Q41 Q53	F31-K44 WeakPolarHBondContact CD1-O 3.29Å; Q41-K44 HydrophobicContact CB-CB 4.39Å; Q41-K44 PolarHBondContact O-N 2.96Å; Q41-K44 VanDerWaalsContact O-O 3.1Å; K44-Q53 HydrophobicContact CB-CG 4.21Å; K44-Q53 HydrophobicContact CD-CG 4.38Å
45	I	92.1	Very high	84.8	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.5	178.5	-164.1	177.3	0	0	0	109.3	W26 F29 G30 F31 I54 L63	W26-I45 HydrophobicContact CE3-CD1 4.04Å; W26-I45 HydrophobicContact CH2-CD1 4.06Å; W26-I45 HydrophobicContact CZ3-CD1 3.32Å; F29-I45 HydrophobicContact CB-CD1 3.53Å; F29-I45 HydrophobicContact CB-CG1 4.02Å; F29-I45 HydrophobicContact CG-CD1 4.41Å; G30-I45 VanDerWaalsContact O-CG1 3.31Å; G30-I45 WeakPolarHBondContact O-CG1 3.31Å; F31-I45 HydrophobicContact CD1-CB 4.23Å; F31-I45 HydrophobicContact CD1-CG1 4.32Å; F31-I45 HydrophobicContact CE1-CB 3.86Å; F31-I45 HydrophobicContact CE1-CD1 4.49Å; F31-I45 HydrophobicContact CE1-CG1 4.17Å; F31-I45 HydrophobicContact CE2-CD1 4.11Å; F31-I45 HydrophobicContact CE2-CG1 4.42Å; F31-I45 HydrophobicContact CG-CG1 4.49Å; F31-I45 HydrophobicContact CZ-CB 4.23Å; F31-I45 HydrophobicContact CZ-CD1 4.05Å; F31-I45 HydrophobicContact CZ-CG1 4.22Å; I45-I54 HydrophobicContact CG2-CB 3.93Å; I45-I54 HydrophobicContact CG2-CG2 4.46Å; I45-I54 PolarHBondContact N-O 2.84Å; I45-I54 PolarHBondContact O-N 3.33Å; I45-L63 HydrophobicContact CD1-CD2 3.88Å; I45-L63 HydrophobicContact CG2-CD1 4.48Å
46	Y	91.6	Very high	85.5	Confident	39 Å²	39	71 Å²	71	15%	0.153	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	138.3	-178.9	-66.2	-91.9	0	0	0	110.6	L15 F29 G30 D32 A52 Q53	L15-Y46 HydrophobicContact CD2-CD2 3.97Å; L15-Y46 HydrophobicContact CD2-CG 4.18Å; F29-Y46 CarbonylContact C-O 3.47Å; F29-Y46 VanDerWaalsContact CA-O 3.27Å; F29-Y46 WeakPolarHBondContact CA-O 3.27Å; G30-Y46 PolarHBondContact N-O 3.46Å; G30-Y46 PolarHBondContact O-N 3.37Å; D32-Y46 HydrophobicContact CB-CD2 4.36Å; D32-Y46 HydrophobicContact CB-CE2 4.02Å; Y46-A52 WeakPolarHBondContact CA-O 3.39Å; Y46-Q53 HydrophobicContact CD1-CB 4.05Å; Y46-Q53 HydrophobicContact CD1-CG 4.3Å; Y46-Q53 HydrophobicContact CE1-CB 3.7Å; Y46-Q53 HydrophobicContact CE1-CG 3.75Å; Y46-Q53 HydrophobicContact CE2-CG 4.46Å; Y46-Q53 PolarHBondContact OH-OE1 3.24Å; Y46-Q53 VanDerWaalsContact OH-OE1 3.05Å
47	C	92.6	Very high	86	Confident	0 Å²	0	68 Å²	68	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128.5	165.6	-176.3	0	0	0	0	109.4	F29 I49 C50 M51 A52 I54	F29-C47 HydrophobicContact CD1-CB 4.04Å; F29-C47 HydrophobicContact CE1-CB 3.73Å; C47-I49 PolarHBondContact O-N 3.26Å; C47-I49 PolarHBondContact SG-N 2.76Å; C47-C50 VanDerWaalsContact CB-SG 3.58Å; C47-C50 VanDerWaalsContact SG-SG 3.62Å; C47-M51 WeakPolarHBondContact O-CA 3.26Å; C47-M51 PolarHBondContact O-N 2.83Å; C47-A52 PolarHBondContact N-O 3.28Å; C47-I54 HydrophobicContact CB-CD1 4.49Å
48	R	90.9	Very high	86.3	Confident	102 Å²	102	68.6 Å²	68.6	39%	0.385	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-14.5	178.2	-64.6	175.3	-176.5	-92	-2.5	113	L15 K27 Y28 F29	L15-R48 HydrophobicContact CD1-CG 4.06Å; L15-R48 PolarHBondContact O-NH1 3.08Å; L15-R48 VanDerWaalsContact O-NH1 3.11Å; L15-R48 PolarHBondContact O-NH2 3.34Å; K27-R48 WeakPolarHBondContact O-CD 3.49Å; Y28-R48 WeakPolarHBondContact O-CB 3.36Å; Y28-R48 PolarHBondContact O-N 3.13Å; F29-R48 PolarHBondContact O-NE 3.33Å; F29-R48 VanDerWaalsContact O-NE 3.13Å
49	I	88.9	Confident	86.4	Confident	71 Å²	71	68.5 Å²	68.5	36%	0.364	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-59.1	-178.2	-51.4	167.4	0	0	0	110.2	Y28 C47 L67 H71 E74	Y28-I49 HydrophobicContact CD1-CD1 3.88Å; Y28-I49 HydrophobicContact CD1-CG1 4.42Å; C47-I49 PolarHBondContact O-N 3.26Å; C47-I49 PolarHBondContact SG-N 2.76Å; I49-L67 HydrophobicContact CD1-CD2 4.07Å; I49-H71 HydrophobicContact CD1-CB 4.03Å; I49-H71 VanDerWaalsContact CG2-CE1 3.41Å; I49-H71 WeakPolarHBondContact CG2-CE1 3.39Å; I49-E74 HydrophobicContact CD1-CB 4.09Å; I49-E74 HydrophobicContact CD1-CG 3.76Å
50	C	87.7	Confident	86.5	Confident	60 Å²	60	69.3 Å²	69.3	41%	0.405	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-1.1	-176.5	63	0	0	0	0	114.4	C47 A52 H66 H71	C47-C50 VanDerWaalsContact CB-SG 3.58Å; C47-C50 VanDerWaalsContact SG-SG 3.62Å; C50-A52 PolarHBondContact O-N 2.96Å; C50-A52 WeakPolarHBondContact SG-CB 3.48Å; C50-H66 PolarHBondContact SG-NE2 2.93Å; C50-H66 VanDerWaalsContact SG-NE2 3.37Å; C50-H71 PolarHBondContact SG-NE2 2.95Å
51	M	88.9	Confident	86.6	Confident	93 Å²	93	68.1 Å²	68.1	46%	0.458	37%	0.366	S	S	.	.			trans	56.8	14	-174.1	-61.2	-62	-76	0	0	114.3	L13 L15 C47 Q53	L13-M51 HydrophobicContact CB-CE 4.38Å; L13-M51 HydrophobicContact CD1-CE 3.79Å; L15-M51 HydrophobicContact CD1-CE 4.25Å; L15-M51 HydrophobicContact CD1-SD 4.14Å; C47-M51 WeakPolarHBondContact O-CA 3.26Å; C47-M51 PolarHBondContact O-N 2.83Å; M51-Q53 PolarHBondContact O-N 3.48Å
52	A	87	Confident	86.7	Confident	38 Å²	38	66.8 Å²	66.8	31%	0.314	36%	0.362	S	S	.	.			trans	-65.7	135	175.2	0	0	0	0	0	110.6	Y46 C47 C50	Y46-A52 WeakPolarHBondContact CA-O 3.39Å; C47-A52 PolarHBondContact N-O 3.28Å; C50-A52 PolarHBondContact O-N 2.96Å; C50-A52 WeakPolarHBondContact SG-CB 3.48Å
53	Q	90.5	Very high	87.2	Confident	105 Å²	105	60.7 Å²	60.7	49%	0.491	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.1	176.7	-168.6	-166	-79.3	0	0	110.1	K44 Y46 M51	K44-Q53 HydrophobicContact CB-CG 4.21Å; K44-Q53 HydrophobicContact CD-CG 4.38Å; Y46-Q53 HydrophobicContact CD1-CB 4.05Å; Y46-Q53 HydrophobicContact CD1-CG 4.3Å; Y46-Q53 HydrophobicContact CE1-CB 3.7Å; Y46-Q53 HydrophobicContact CE1-CG 3.75Å; Y46-Q53 HydrophobicContact CE2-CG 4.46Å; Y46-Q53 PolarHBondContact OH-OE1 3.24Å; Y46-Q53 VanDerWaalsContact OH-OE1 3.05Å; M51-Q53 PolarHBondContact O-N 3.48Å
54	I	90.5	Very high	87.2	Confident	22 Å²	22	53.9 Å²	53.9	11%	0.113	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.8	-175.5	-54.7	166	0	0	0	109.1	F29 I45 C47 N62 H66	F29-I54 HydrophobicContact CD1-CD1 3.96Å; F29-I54 HydrophobicContact CE1-CD1 3.31Å; F29-I54 HydrophobicContact CZ-CD1 4.2Å; I45-I54 HydrophobicContact CG2-CB 3.93Å; I45-I54 HydrophobicContact CG2-CG2 4.46Å; I45-I54 PolarHBondContact N-O 2.84Å; I45-I54 PolarHBondContact O-N 3.33Å; C47-I54 HydrophobicContact CB-CD1 4.49Å; I54-N62 HydrophobicContact CG2-CB 4.43Å; I54-H66 HydrophobicContact CD1-CB 3.7Å
55	A	87.4	Confident	87.2	Confident	67 Å²	67	57 Å²	57	55%	0.554	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	125.1	174	0	0	0	0	0	111.1	N62	A55-N62 PolarHBondContact O-ND2 2.79Å
56	Y	86.7	Confident	87.1	Confident	34 Å²	34	58.1 Å²	58.1	13%	0.133	33%	0.329	C	S	.	.			trans	-101.2	122.3	175.8	-176.7	-113.1	0	0	0	111.2	W26 F31 W42 K43 G58 N59 L63	W26-Y56 HydrophobicContact CH2-CD2 4.33Å; W26-Y56 AromaticContact CH2-CE2 3.63Å; W26-Y56 HydrophobicContact CH2-CE2 3.63Å; W26-Y56 AromaticContact CH2-CZ 3.75Å; W26-Y56 HydrophobicContact CZ2-CE2 4.02Å; F31-Y56 HydrophobicContact CE1-CD1 4.14Å; F31-Y56 HydrophobicContact CE1-CG 4.33Å; F31-Y56 AromaticContact CZ-CD1 3.61Å; F31-Y56 HydrophobicContact CZ-CD1 3.61Å; F31-Y56 AromaticContact CZ-CE1 3.98Å; F31-Y56 HydrophobicContact CZ-CE1 3.98Å; F31-Y56 AromaticContact CZ-CG 3.89Å; F31-Y56 HydrophobicContact CZ-CG 3.89Å; W42-Y56 WeakPolarHBondContact O-CD1 3.25Å; K43-Y56 PolarHBondContact O-N 3.31Å; Y56-G58 PolarHBondContact OH-O 3.04Å; Y56-N59 WeakPolarHBondContact CE2-O 3.26Å; Y56-L63 HydrophobicContact CD2-CD1 4.03Å
57	S	80.1	Confident	87.1	Confident	81 Å²	81	56.2 Å²	56.2	57%	0.566	32%	0.321	S	S	*	.			trans	-113.4	15.1	-176.8	53.9	0	0	0	0	113.6
58	G	77.6	Confident	87	Confident	54 Å²	54	60.7 Å²	60.7	56%	0.557	34%	0.342	S	S	*	.	S	Bend	trans	94.7	-4.7	177.5	0	0	0	0	0	115.5	Y56	Y56-G58 PolarHBondContact OH-O 3.04Å
59	N	80.3	Confident	86.7	Confident	77 Å²	77	61.8 Å²	61.8	41%	0.412	35%	0.35	S	S	.	.	S	Bend	trans	-123	170.9	170	69.6	45	0	0	0	111.2	Y56 S61	Y56-N59 WeakPolarHBondContact CE2-O 3.26Å; N59-S61 WeakPolarHBondContact OD1-CB 3.39Å; N59-S61 PolarHBondContact OD1-N 3.1Å; N59-S61 VanDerWaalsContact OD1-N 3.08Å; N59-S61 PolarHBondContact OD1-OG 3.25Å
60	T	86.4	Confident	86.5	Confident	43 Å²	43	62.9 Å²	62.9	26%	0.264	36%	0.356	S	S	.	.	S	Bend	trans	-96.3	4.5	-177.8	56.3	0	0	0	0	113.7	V25 W26 N62 L63 S64	V25-T60 HydrophobicContact CG1-CG2 3.62Å; W26-T60 HydrophobicContact CZ2-CG2 3.98Å; T60-N62 PolarHBondContact O-N 2.9Å; T60-L63 HydrophobicContact CG2-CD2 4.44Å; T60-L63 WeakPolarHBondContact O-CB 3.05Å; T60-L63 PolarHBondContact O-N 3.13Å; T60-L63 VanDerWaalsContact O-N 3.13Å; T60-S64 PolarHBondContact O-N 3.03Å; T60-S64 PolarHBondContact O-OG 3.46Å
61	S	82.9	Confident	86.6	Confident	74 Å²	74	61 Å²	61	52%	0.517	34%	0.341	S	S	.	.	H	α-helix	trans	-63.6	-42.8	-173.1	-54.9	0	0	0	0	112.3	N59 L63 S64 Y65	N59-S61 WeakPolarHBondContact OD1-CB 3.39Å; N59-S61 PolarHBondContact OD1-N 3.1Å; N59-S61 VanDerWaalsContact OD1-N 3.08Å; N59-S61 PolarHBondContact OD1-OG 3.25Å; S61-L63 PolarHBondContact O-N 3.24Å; S61-S64 PolarHBondContact O-N 2.84Å; S61-Y65 PolarHBondContact O-N 3.31Å
62	N	85.9	Confident	86.1	Confident	70 Å²	70	60.2 Å²	60.2	37%	0.374	34%	0.344	S	S	.	.	H	α-helix	trans	-65.1	-29.6	176.9	-67	-5.3	0	0	0	112.6	I54 A55 T60 H66	I54-N62 HydrophobicContact CG2-CB 4.43Å; A55-N62 PolarHBondContact O-ND2 2.79Å; T60-N62 PolarHBondContact O-N 2.9Å; N62-H66 WeakPolarHBondContact O-CB 3.31Å; N62-H66 PolarHBondContact O-N 3.39Å; N62-H66 VanDerWaalsContact O-N 3.1Å
63	L	90.6	Very high	85.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-75.4	-44.1	-179.5	-69.6	60.9	0	0	0	109.6	V25 W26 F29 I45 Y56 T60 S61 H66 L67	V25-L63 HydrophobicContact CG1-CD2 4.48Å; V25-L63 HydrophobicContact CG2-CB 3.98Å; W26-L63 HydrophobicContact CH2-CD2 4.32Å; W26-L63 HydrophobicContact CZ3-CD2 4.36Å; F29-L63 HydrophobicContact CB-CD2 4.24Å; F29-L63 HydrophobicContact CD1-CG 4.45Å; F29-L63 HydrophobicContact CD2-CB 3.88Å; F29-L63 HydrophobicContact CD2-CD2 3.96Å; F29-L63 HydrophobicContact CD2-CG 4.07Å; F29-L63 HydrophobicContact CE2-CB 3.64Å; F29-L63 HydrophobicContact CE2-CG 4.25Å; F29-L63 HydrophobicContact CG-CB 4.44Å; F29-L63 HydrophobicContact CG-CD2 4.08Å; F29-L63 HydrophobicContact CG-CG 4.17Å; F29-L63 HydrophobicContact CZ-CB 4.01Å; F29-L63 VanDerWaalsContact CZ-O 3.31Å; F29-L63 WeakPolarHBondContact CZ-O 3.25Å; I45-L63 HydrophobicContact CD1-CD2 3.88Å; I45-L63 HydrophobicContact CG2-CD1 4.48Å; Y56-L63 HydrophobicContact CD2-CD1 4.03Å; T60-L63 HydrophobicContact CG2-CD2 4.44Å; T60-L63 WeakPolarHBondContact O-CB 3.05Å; T60-L63 PolarHBondContact O-N 3.13Å; T60-L63 VanDerWaalsContact O-N 3.13Å; S61-L63 PolarHBondContact O-N 3.24Å; L63-H66 PolarHBondContact O-N 3.5Å; L63-L67 PolarHBondContact O-N 3.45Å; L63-L67 VanDerWaalsContact O-N 3.07Å
64	S	86.5	Confident	85.6	Confident	27 Å²	27	62.4 Å²	62.4	19%	0.189	35%	0.352	C	S	.	.	H	α-helix	trans	-61.8	-44.8	173.9	-61	0	0	0	0	111.8	T60 S61 H66 L67 E68	T60-S64 PolarHBondContact O-N 3.03Å; T60-S64 PolarHBondContact O-OG 3.46Å; S61-S64 PolarHBondContact O-N 2.84Å; S64-H66 VanDerWaalsContact C-N 3.32Å; S64-H66 PolarHBondContact O-N 3.49Å; S64-L67 PolarHBondContact O-N 3.23Å; S64-E68 WeakPolarHBondContact O-CB 3.21Å; S64-E68 PolarHBondContact O-N 3.49Å
65	Y	86.8	Confident	85.5	Confident	141 Å²	141	63.7 Å²	63.7	55%	0.553	36%	0.356	S	S	*	.	H	α-helix	trans	-62	-39.4	176.9	-177.7	-98.7	0	0	0	112.3	S61 E68 K69	S61-Y65 PolarHBondContact O-N 3.31Å; Y65-E68 PolarHBondContact O-N 3.5Å; Y65-K69 HydrophobicContact CD1-CG 4.41Å; Y65-K69 HydrophobicContact CD2-CG 4.44Å; Y65-K69 HydrophobicContact CE1-CG 3.99Å; Y65-K69 HydrophobicContact CE2-CG 4.05Å; Y65-K69 WeakPolarHBondContact O-CG 3.49Å; Y65-K69 PolarHBondContact O-N 2.96Å
66	H	90.1	Very high	85	Confident	22 Å²	22	63.2 Å²	63.2	10%	0.102	35%	0.348	C	S	.	.	H	α-helix	trans	-62.9	-44.4	174.8	174.9	85.6	0	0	0	112.2	F29 C50 I54 N62 L63 S64 K69 N70 H71	F29-H66 AromaticContact CE1-CD2 3.69Å; F29-H66 HydrophobicContact CZ-CB 4.38Å; F29-H66 AromaticContact CZ-CD2 3.7Å; C50-H66 PolarHBondContact SG-NE2 2.93Å; C50-H66 VanDerWaalsContact SG-NE2 3.37Å; I54-H66 HydrophobicContact CD1-CB 3.7Å; N62-H66 WeakPolarHBondContact O-CB 3.31Å; N62-H66 PolarHBondContact O-N 3.39Å; N62-H66 VanDerWaalsContact O-N 3.1Å; L63-H66 PolarHBondContact O-N 3.5Å; S64-H66 VanDerWaalsContact C-N 3.32Å; S64-H66 PolarHBondContact O-N 3.49Å; H66-K69 PolarHBondContact O-N 2.95Å; H66-N70 PolarHBondContact ND1-ND2 3.47Å; H66-N70 WeakPolarHBondContact O-CB 3.45Å; H66-N70 PolarHBondContact O-N 3.24Å; H66-N70 PolarHBondContact O-ND2 3.02Å; H66-H71 AromaticContact CD2-CD2 3.99Å; H66-H71 AromaticContact NE2-CD2 3.63Å; H66-H71 AromaticContact NE2-NE2 3.62Å
67	L	90.9	Very high	84.9	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-61.9	-47.8	175.1	-77.6	174.7	0	0	0	111	V25 Y28 F29 I49 L63 S64 K69 N70 H71 E74 F75	V25-L67 HydrophobicContact CG2-CD1 4.01Å; Y28-L67 HydrophobicContact CD2-CD1 3.84Å; Y28-L67 HydrophobicContact CG-CD1 4.14Å; Y28-L67 HydrophobicContact CG-CD2 4.14Å; F29-L67 HydrophobicContact CE2-CD1 3.75Å; F29-L67 HydrophobicContact CE2-CD2 4.29Å; F29-L67 HydrophobicContact CE2-CG 3.71Å; F29-L67 HydrophobicContact CZ-CD1 4.35Å; F29-L67 HydrophobicContact CZ-CD2 4.24Å; F29-L67 HydrophobicContact CZ-CG 3.79Å; I49-L67 HydrophobicContact CD1-CD2 4.07Å; L63-L67 PolarHBondContact O-N 3.45Å; L63-L67 VanDerWaalsContact O-N 3.07Å; S64-L67 PolarHBondContact O-N 3.23Å; L67-K69 VanDerWaalsContact C-N 3.27Å; L67-K69 PolarHBondContact O-N 3.07Å; L67-N70 PolarHBondContact O-N 2.96Å; L67-H71 HydrophobicContact CD2-CB 3.81Å; L67-H71 CarbonylContact O-C 3.55Å; L67-H71 VanDerWaalsContact O-CA 3.26Å; L67-H71 WeakPolarHBondContact O-CA 3.44Å; L67-H71 PolarHBondContact O-N 3.36Å; L67-E74 HydrophobicContact CD2-CB 4.41Å; L67-F75 HydrophobicContact CB-CB 4.07Å; L67-F75 HydrophobicContact CB-CD2 3.89Å; L67-F75 HydrophobicContact CB-CG 4.45Å
68	E	89.5	Confident	85	Confident	93 Å²	93	62.8 Å²	62.8	44%	0.435	34%	0.338	S	S	.	.	H	α-helix	trans	-56.2	-41.3	179.7	-174.8	-178.1	-171.1	0	0	112.6	S64 Y65 F75	S64-E68 WeakPolarHBondContact O-CB 3.21Å; S64-E68 PolarHBondContact O-N 3.49Å; Y65-E68 PolarHBondContact O-N 3.5Å; E68-F75 HydrophobicContact CB-CD1 4Å; E68-F75 HydrophobicContact CB-CD2 3.89Å; E68-F75 HydrophobicContact CB-CE1 3.96Å; E68-F75 HydrophobicContact CB-CE2 3.84Å; E68-F75 HydrophobicContact CB-CG 3.96Å; E68-F75 HydrophobicContact CB-CZ 3.87Å; E68-F75 HydrophobicContact CG-CD1 4.03Å; E68-F75 HydrophobicContact CG-CE1 3.77Å; E68-F75 HydrophobicContact CG-CE2 4.49Å; E68-F75 HydrophobicContact CG-CG 4.49Å; E68-F75 HydrophobicContact CG-CZ 4.02Å
69	K	86.4	Confident	85.2	Confident	125 Å²	125	63.2 Å²	63.2	54%	0.543	33%	0.33	S	S	.	.	H	α-helix	trans	-85.2	-33.7	-176.2	-67.8	-59.7	-176.7	-169.8	0	114.8	Y65 H66 L67	Y65-K69 HydrophobicContact CD1-CG 4.41Å; Y65-K69 HydrophobicContact CD2-CG 4.44Å; Y65-K69 HydrophobicContact CE1-CG 3.99Å; Y65-K69 HydrophobicContact CE2-CG 4.05Å; Y65-K69 WeakPolarHBondContact O-CG 3.49Å; Y65-K69 PolarHBondContact O-N 2.96Å; H66-K69 PolarHBondContact O-N 2.95Å; L67-K69 VanDerWaalsContact C-N 3.27Å; L67-K69 PolarHBondContact O-N 3.07Å
70	N	84.6	Confident	85.2	Confident	94 Å²	94	65.8 Å²	65.8	50%	0.503	34%	0.338	S	S	.	.	H	α-helix	trans	-114.2	-17.1	-169.7	-54.4	-80.3	0	0	0	113.5	H66 L67	H66-N70 PolarHBondContact ND1-ND2 3.47Å; H66-N70 WeakPolarHBondContact O-CB 3.45Å; H66-N70 PolarHBondContact O-N 3.24Å; H66-N70 PolarHBondContact O-ND2 3.02Å; L67-N70 PolarHBondContact O-N 2.96Å
71	H	88.6	Confident	84.7	Confident	20 Å²	20	65.3 Å²	65.3	9%	0.093	34%	0.336	C	S	.	.			trans	-141.5	62	-175	-60.3	-57.8	0	0	0	110.7	I49 C50 H66 L67 D73 E74 F75	I49-H71 HydrophobicContact CD1-CB 4.03Å; I49-H71 VanDerWaalsContact CG2-CE1 3.41Å; I49-H71 WeakPolarHBondContact CG2-CE1 3.39Å; C50-H71 PolarHBondContact SG-NE2 2.95Å; H66-H71 AromaticContact CD2-CD2 3.99Å; H66-H71 AromaticContact NE2-CD2 3.63Å; H66-H71 AromaticContact NE2-NE2 3.62Å; L67-H71 HydrophobicContact CD2-CB 3.81Å; L67-H71 CarbonylContact O-C 3.55Å; L67-H71 VanDerWaalsContact O-CA 3.26Å; L67-H71 WeakPolarHBondContact O-CA 3.44Å; L67-H71 PolarHBondContact O-N 3.36Å; H71-D73 VanDerWaalsContact C-N 3.3Å; H71-D73 PolarHBondContact O-N 3.1Å; H71-E74 WeakPolarHBondContact CA-OE2 3.27Å; H71-E74 HydrophobicContact CB-CB 4.23Å; H71-E74 WeakPolarHBondContact CB-OE2 3.41Å; H71-E74 PolarHBondContact O-N 3.44Å; H71-F75 WeakPolarHBondContact O-CB 3.31Å; H71-F75 PolarHBondContact O-N 3.43Å
72	P	78.4	Confident	84.3	Confident	78 Å²	78	64.5 Å²	64.5	51%	0.506	33%	0.326	S	S	.	.	H	α-helix	trans	-64.6	-31	-169	24.7	-33.8	0	0	0	113.6	F75 C76	P72-F75 PolarHBondContact O-N 2.92Å; P72-C76 WeakPolarHBondContact O-CB 3.47Å; P72-C76 PolarHBondContact O-N 3.39Å
73	D	81.8	Confident	83.8	Confident	132 Å²	132	64.1 Å²	64.1	71%	0.706	33%	0.327	S	S	*	.	H	α-helix	trans	-70.9	-44.7	177.7	-66.7	-36.7	0	0	0	111.1	H71 F75 C76 E77	H71-D73 VanDerWaalsContact C-N 3.3Å; H71-D73 PolarHBondContact O-N 3.1Å; D73-F75 VanDerWaalsContact C-N 3.32Å; D73-F75 PolarHBondContact O-N 3.26Å; D73-C76 WeakPolarHBondContact O-CB 3.46Å; D73-C76 PolarHBondContact O-N 3.06Å; D73-E77 PolarHBondContact O-N 3.4Å
74	E	86.7	Confident	83.1	Confident	57 Å²	57	69.6 Å²	69.6	27%	0.266	35%	0.352	S	S	.	.	H	α-helix	trans	-69.3	-30.8	175	-62.1	85.9	168.3	0	0	112	Y28 I49 L67 H71 E77 F78	Y28-E74 HydrophobicContact CD1-CB 4.31Å; Y28-E74 HydrophobicContact CE1-CB 3.8Å; Y28-E74 HydrophobicContact CE1-CG 4.06Å; I49-E74 HydrophobicContact CD1-CB 4.09Å; I49-E74 HydrophobicContact CD1-CG 3.76Å; L67-E74 HydrophobicContact CD2-CB 4.41Å; H71-E74 WeakPolarHBondContact CA-OE2 3.27Å; H71-E74 HydrophobicContact CB-CB 4.23Å; H71-E74 WeakPolarHBondContact CB-OE2 3.41Å; H71-E74 PolarHBondContact O-N 3.44Å; E74-E77 PolarHBondContact O-N 2.89Å; E74-F78 WeakPolarHBondContact O-CB 3.44Å; E74-F78 PolarHBondContact O-N 2.9Å
75	F	86.4	Confident	82.3	Confident	48 Å²	48	71.9 Å²	71.9	21%	0.211	36%	0.36	C	S	.	.	H	α-helix	trans	-64.1	-44.3	170.2	-176.7	-108.4	0	0	0	111.1	L67 E68 H71 P72 D73 F78 V79	L67-F75 HydrophobicContact CB-CB 4.07Å; L67-F75 HydrophobicContact CB-CD2 3.89Å; L67-F75 HydrophobicContact CB-CG 4.45Å; E68-F75 HydrophobicContact CB-CD1 4Å; E68-F75 HydrophobicContact CB-CD2 3.89Å; E68-F75 HydrophobicContact CB-CE1 3.96Å; E68-F75 HydrophobicContact CB-CE2 3.84Å; E68-F75 HydrophobicContact CB-CG 3.96Å; E68-F75 HydrophobicContact CB-CZ 3.87Å; E68-F75 HydrophobicContact CG-CD1 4.03Å; E68-F75 HydrophobicContact CG-CE1 3.77Å; E68-F75 HydrophobicContact CG-CE2 4.49Å; E68-F75 HydrophobicContact CG-CG 4.49Å; E68-F75 HydrophobicContact CG-CZ 4.02Å; H71-F75 WeakPolarHBondContact O-CB 3.31Å; H71-F75 PolarHBondContact O-N 3.43Å; P72-F75 PolarHBondContact O-N 2.92Å; D73-F75 VanDerWaalsContact C-N 3.32Å; D73-F75 PolarHBondContact O-N 3.26Å; F75-F78 HydrophobicContact CD2-CD1 4.17Å; F75-F78 HydrophobicContact CE2-CD1 4.35Å; F75-F78 WeakPolarHBondContact O-CB 3.49Å; F75-F78 PolarHBondContact O-N 2.93Å; F75-V79 HydrophobicContact CD1-CG2 4.31Å; F75-V79 HydrophobicContact CD2-CG2 4.47Å; F75-V79 HydrophobicContact CE1-CG2 3.99Å; F75-V79 HydrophobicContact CE2-CG2 4.15Å; F75-V79 HydrophobicContact CZ-CG2 3.9Å; F75-V79 VanDerWaalsContact O-CG2 3.27Å; F75-V79 WeakPolarHBondContact O-CG2 3.37Å; F75-V79 PolarHBondContact O-N 3.17Å
76	C	78.5	Confident	81.2	Confident	57 Å²	57	70.2 Å²	70.2	39%	0.385	36%	0.358	S	S	.	.	H	α-helix	trans	-62.9	-42.6	175.9	-168.7	0	0	0	0	111.7	P72 D73 V79 K80	P72-C76 WeakPolarHBondContact O-CB 3.47Å; P72-C76 PolarHBondContact O-N 3.39Å; D73-C76 WeakPolarHBondContact O-CB 3.46Å; D73-C76 PolarHBondContact O-N 3.06Å; C76-V79 PolarHBondContact O-N 3.06Å; C76-K80 WeakPolarHBondContact O-CB 3.5Å; C76-K80 VanDerWaalsContact O-CG 3.31Å; C76-K80 WeakPolarHBondContact O-CG 3.47Å; C76-K80 PolarHBondContact O-N 2.82Å
77	E	83.6	Confident	80.2	Confident	91 Å²	91	77.8 Å²	77.8	43%	0.425	39%	0.386	S	S	.	.	H	α-helix	trans	-61.9	-45.3	173.8	-164.3	-156.3	162.4	0	0	111.6	K27 Y28 D73 E74 V79 K80 S81	K27-E77 IonicContact NZ-OE1 3.01Å; K27-E77 PolarHBondContact NZ-OE1 3.26Å; K27-E77 IonicContact NZ-OE2 3.78Å; Y28-E77 PolarHBondContact OH-OE2 3.4Å; D73-E77 PolarHBondContact O-N 3.4Å; E74-E77 PolarHBondContact O-N 2.89Å; E77-V79 PolarHBondContact O-N 3.48Å; E77-K80 PolarHBondContact O-N 2.89Å; E77-S81 VanDerWaalsContact O-CB 3.26Å; E77-S81 WeakPolarHBondContact O-CB 3.31Å; E77-S81 PolarHBondContact O-N 2.9Å
78	F	83.5	Confident	79	Confident	15 Å²	15	84.1 Å²	84.1	7%	0.066	42%	0.416	C	S	.	.	H	α-helix	trans	-58.7	-47.8	176.3	162.1	-113.6	0	0	0	111.8	K24 V25 Y28 E74 F75 S81 N82	K24-F78 HydrophobicContact CB-CD2 4.21Å; K24-F78 HydrophobicContact CB-CE2 4.3Å; V25-F78 HydrophobicContact CB-CD2 4.26Å; V25-F78 HydrophobicContact CB-CE2 3.66Å; V25-F78 HydrophobicContact CB-CZ 3.86Å; V25-F78 HydrophobicContact CG2-CE2 4.38Å; V25-F78 HydrophobicContact CG2-CZ 4.28Å; V25-F78 VanDerWaalsContact N-CE2 3.29Å; Y28-F78 HydrophobicContact CE2-CB 3.97Å; E74-F78 WeakPolarHBondContact O-CB 3.44Å; E74-F78 PolarHBondContact O-N 2.9Å; F75-F78 HydrophobicContact CD2-CD1 4.17Å; F75-F78 HydrophobicContact CE2-CD1 4.35Å; F75-F78 WeakPolarHBondContact O-CB 3.49Å; F75-F78 PolarHBondContact O-N 2.93Å; F78-S81 PolarHBondContact O-N 3.47Å; F78-N82 HydrophobicContact CE2-CB 4.28Å; F78-N82 VanDerWaalsContact O-CB 3.25Å; F78-N82 WeakPolarHBondContact O-CB 3.2Å; F78-N82 PolarHBondContact O-N 3.44Å
79	V	81.3	Confident	77.6	Confident	64 Å²	64	82.4 Å²	82.4	39%	0.388	42%	0.417	S	S	.	.	H	α-helix	trans	-63.8	-44.3	179.7	171.6	0	0	0	0	110.9	F75 C76 E77 N82 T83	F75-V79 HydrophobicContact CD1-CG2 4.31Å; F75-V79 HydrophobicContact CD2-CG2 4.47Å; F75-V79 HydrophobicContact CE1-CG2 3.99Å; F75-V79 HydrophobicContact CE2-CG2 4.15Å; F75-V79 HydrophobicContact CZ-CG2 3.9Å; F75-V79 VanDerWaalsContact O-CG2 3.27Å; F75-V79 WeakPolarHBondContact O-CG2 3.37Å; F75-V79 PolarHBondContact O-N 3.17Å; C76-V79 PolarHBondContact O-N 3.06Å; E77-V79 PolarHBondContact O-N 3.48Å; V79-N82 PolarHBondContact O-N 3.01Å; V79-T83 WeakPolarHBondContact O-CB 3.4Å; V79-T83 PolarHBondContact O-N 3.34Å; V79-T83 PolarHBondContact O-OG1 3.12Å
80	K	79.1	Confident	75.9	Confident	130 Å²	130	82.7 Å²	82.7	57%	0.565	42%	0.419	S	S	*	.	H	α-helix	trans	-59.7	-49.9	175.2	-73.6	171.7	-179.2	172	0	111.5	C76 E77 N82 T83 E84	C76-K80 WeakPolarHBondContact O-CB 3.5Å; C76-K80 VanDerWaalsContact O-CG 3.31Å; C76-K80 WeakPolarHBondContact O-CG 3.47Å; C76-K80 PolarHBondContact O-N 2.82Å; E77-K80 PolarHBondContact O-N 2.89Å; K80-N82 PolarHBondContact O-N 3.31Å; K80-T83 WeakPolarHBondContact O-CB 3.19Å; K80-T83 PolarHBondContact O-N 3.29Å; K80-E84 WeakPolarHBondContact O-CG 3.47Å; K80-E84 PolarHBondContact O-N 2.67Å
81	S	76.8	Confident	74.7	Confident	34 Å²	34	81 Å²	81	24%	0.238	42%	0.418	C	S	.	.	H	α-helix	trans	-65.8	-35.3	-177.7	-160.2	0	0	0	0	113.3	K24 E77 F78 Q85	K24-S81 VanDerWaalsContact CD-OG 3.25Å; K24-S81 WeakPolarHBondContact CD-OG 3.25Å; K24-S81 PolarHBondContact NZ-O 2.7Å; K24-S81 PolarHBondContact NZ-OG 3.13Å; E77-S81 VanDerWaalsContact O-CB 3.26Å; E77-S81 WeakPolarHBondContact O-CB 3.31Å; E77-S81 PolarHBondContact O-N 2.9Å; F78-S81 PolarHBondContact O-N 3.47Å; S81-Q85 WeakPolarHBondContact O-CB 3.29Å; S81-Q85 PolarHBondContact O-N 2.98Å
82	N	75.1	Confident	73.1	Confident	56 Å²	56	83.8 Å²	83.8	30%	0.299	44%	0.436	S	S	.	.	H	α-helix	trans	-71.9	-34.9	175.9	-165.6	64.9	0	0	0	111.3	F78 V79 K80 M86	F78-N82 HydrophobicContact CE2-CB 4.28Å; F78-N82 VanDerWaalsContact O-CB 3.25Å; F78-N82 WeakPolarHBondContact O-CB 3.2Å; F78-N82 PolarHBondContact O-N 3.44Å; V79-N82 PolarHBondContact O-N 3.01Å; K80-N82 PolarHBondContact O-N 3.31Å; N82-M86 VanDerWaalsContact O-CG 3.27Å; N82-M86 WeakPolarHBondContact O-CG 3.28Å; N82-M86 PolarHBondContact O-N 3.38Å; N82-M86 VanDerWaalsContact O-N 3.09Å
83	T	75	Confident	71.7	Confident	63 Å²	63	83 Å²	83	39%	0.387	44%	0.437	S	S	.	.	H	α-helix	trans	-69.5	-40.2	175.5	-52.6	0	0	0	0	111.8	V79 K80 M86 R87	V79-T83 WeakPolarHBondContact O-CB 3.4Å; V79-T83 PolarHBondContact O-N 3.34Å; V79-T83 PolarHBondContact O-OG1 3.12Å; K80-T83 WeakPolarHBondContact O-CB 3.19Å; K80-T83 PolarHBondContact O-N 3.29Å; T83-M86 PolarHBondContact O-N 3.36Å; T83-R87 PolarHBondContact O-N 3.25Å
84	E	74.8	Confident	69.9	Low	114 Å²	114	84.3 Å²	84.3	53%	0.533	44%	0.436	S	S	.	.	H	α-helix	trans	-65.9	-42.7	174.1	-74.1	172.6	172	0	0	112.3	K80 M86 R87 E88	K80-E84 WeakPolarHBondContact O-CG 3.47Å; K80-E84 PolarHBondContact O-N 2.67Å; E84-M86 VanDerWaalsContact C-N 3.29Å; E84-M86 PolarHBondContact O-N 3.08Å; E84-R87 CarbonylContact O-C 3.6Å; E84-R87 WeakPolarHBondContact O-CB 3.48Å; E84-R87 PolarHBondContact O-N 3.24Å; E84-R87 VanDerWaalsContact O-N 3.12Å; E84-E88 PolarHBondContact O-N 2.8Å
85	Q	70.9	Confident	67.9	Low	76 Å²	76	85.7 Å²	85.7	36%	0.355	45%	0.452	S	S	.	.	H	α-helix	trans	-62.6	-37.8	176.1	-170.2	179	12.3	0	0	111.9	S81 A89	S81-Q85 WeakPolarHBondContact O-CB 3.29Å; S81-Q85 PolarHBondContact O-N 2.98Å; Q85-A89 VanDerWaalsContact O-CB 3.28Å; Q85-A89 WeakPolarHBondContact O-CB 3.27Å; Q85-A89 PolarHBondContact O-N 2.82Å
86	M	63.3	Low	65.8	Low	105 Å²	105	91.9 Å²	91.9	52%	0.517	48%	0.479	S	S	.	.	H	α-helix	trans	-65.3	-45.3	172.7	-71.4	-69.5	-76.1	0	0	110.5	N82 T83 E84 E88 A89 F90	N82-M86 VanDerWaalsContact O-CG 3.27Å; N82-M86 WeakPolarHBondContact O-CG 3.28Å; N82-M86 PolarHBondContact O-N 3.38Å; N82-M86 VanDerWaalsContact O-N 3.09Å; T83-M86 PolarHBondContact O-N 3.36Å; E84-M86 VanDerWaalsContact C-N 3.29Å; E84-M86 PolarHBondContact O-N 3.08Å; M86-E88 PolarHBondContact O-N 3.26Å; M86-A89 PolarHBondContact O-N 3.44Å; M86-F90 HydrophobicContact CE-CE2 4.25Å; M86-F90 VanDerWaalsContact O-CD2 3.24Å; M86-F90 WeakPolarHBondContact O-CD2 3.48Å; M86-F90 PolarHBondContact O-N 3.37Å
87	R	69.2	Low	64.1	Low	182 Å²	182	95.9 Å²	95.9	69%	0.687	50%	0.495	S	S	*	.	H	α-helix	trans	-59.2	-43.2	175	-87.3	-173.5	-178.5	128.5	0.4	113.2	T83 E84 F90 A91	T83-R87 PolarHBondContact O-N 3.25Å; E84-R87 CarbonylContact O-C 3.6Å; E84-R87 WeakPolarHBondContact O-CB 3.48Å; E84-R87 PolarHBondContact O-N 3.24Å; E84-R87 VanDerWaalsContact O-N 3.12Å; R87-F90 PolarHBondContact O-N 2.66Å; R87-A91 WeakPolarHBondContact O-CB 3.37Å; R87-A91 PolarHBondContact O-N 3.12Å
88	E	65	Low	61.6	Low	133 Å²	133	101 Å²	101	62%	0.621	52%	0.516	S	S	*	.	H	α-helix	trans	-68.2	-39.4	176.7	-80.4	-177.8	156.5	0	0	112.2	E84 M86 F90 A91 T92	E84-E88 PolarHBondContact O-N 2.8Å; M86-E88 PolarHBondContact O-N 3.26Å; E88-F90 VanDerWaalsContact C-N 3.29Å; E88-F90 PolarHBondContact O-N 3.43Å; E88-A91 PolarHBondContact O-N 2.93Å; E88-T92 VanDerWaalsContact O-CB 3.29Å; E88-T92 WeakPolarHBondContact O-CB 3.34Å; E88-T92 PolarHBondContact O-N 3.3Å; E88-T92 PolarHBondContact O-OG1 3.39Å
89	A	60.4	Low	59.3	Low	57 Å²	57	106.1 Å²	106.1	47%	0.471	55%	0.551	S	S	.	*	H	α-helix	trans	-62.6	-38.1	174.2	0	0	0	0	0	111.5	Q85 M86 A93	Q85-A89 VanDerWaalsContact O-CB 3.28Å; Q85-A89 WeakPolarHBondContact O-CB 3.27Å; Q85-A89 PolarHBondContact O-N 2.82Å; M86-A89 PolarHBondContact O-N 3.44Å; A89-A93 WeakPolarHBondContact O-CB 3.42Å; A89-A93 PolarHBondContact O-N 3.09Å; A89-A93 VanDerWaalsContact O-N 3.09Å
90	F	51.8	Low	56.7	Low	130 Å²	130	112 Å²	112	57%	0.57	57%	0.574	S	S	*	*	H	α-helix	trans	-67.7	-45.1	171.8	-89.7	-81.2	0	0	0	112	M86 R87 E88 T92 A93 F94	M86-F90 HydrophobicContact CE-CE2 4.25Å; M86-F90 VanDerWaalsContact O-CD2 3.24Å; M86-F90 WeakPolarHBondContact O-CD2 3.48Å; M86-F90 PolarHBondContact O-N 3.37Å; R87-F90 PolarHBondContact O-N 2.66Å; E88-F90 VanDerWaalsContact C-N 3.29Å; E88-F90 PolarHBondContact O-N 3.43Å; F90-T92 VanDerWaalsContact C-N 3.33Å; F90-T92 PolarHBondContact O-N 2.96Å; F90-A93 PolarHBondContact O-N 3.43Å; F90-F94 WeakPolarHBondContact O-CD2 3.38Å; F90-F94 PolarHBondContact O-N 3.02Å
91	A	57.7	Low	54.5	Low	59 Å²	59	110.7 Å²	110.7	49%	0.488	58%	0.582	S	S	.	*	H	α-helix	trans	-65.6	-33.8	178.2	0	0	0	0	0	113.1	R87 E88 F94 S95	R87-A91 WeakPolarHBondContact O-CB 3.37Å; R87-A91 PolarHBondContact O-N 3.12Å; E88-A91 PolarHBondContact O-N 2.93Å; A91-F94 PolarHBondContact O-N 2.71Å; A91-S95 WeakPolarHBondContact O-CB 3.19Å; A91-S95 PolarHBondContact O-N 3.36Å; A91-S95 PolarHBondContact O-OG 3.02Å
92	T	55.1	Low	52.2	Low	78 Å²	78	115.1 Å²	115.1	48%	0.479	61%	0.613	S	S	.	*	H	α-helix	trans	-75.7	-32	177.7	-48.3	0	0	0	0	111.8	E88 F90 F94 S95	E88-T92 VanDerWaalsContact O-CB 3.29Å; E88-T92 WeakPolarHBondContact O-CB 3.34Å; E88-T92 PolarHBondContact O-N 3.3Å; E88-T92 PolarHBondContact O-OG1 3.39Å; F90-T92 VanDerWaalsContact C-N 3.33Å; F90-T92 PolarHBondContact O-N 2.96Å; T92-F94 VanDerWaalsContact C-N 3.33Å; T92-S95 WeakPolarHBondContact CA-OG 3.46Å; T92-S95 PolarHBondContact O-OG 3.05Å
93	A	49.3	Very low	50.5	Low	62 Å²	62	121.5 Å²	121.5	51%	0.512	64%	0.64	S	S	.	*	H	α-helix	trans	-68.9	-33.4	171.1	0	0	0	0	0	111.9	A89 F90	A89-A93 WeakPolarHBondContact O-CB 3.42Å; A89-A93 PolarHBondContact O-N 3.09Å; A89-A93 VanDerWaalsContact O-N 3.09Å; F90-A93 PolarHBondContact O-N 3.43Å
94	F	44.8	Very low	48.9	Very low	159 Å²	159	126.9 Å²	126.9	70%	0.697	66%	0.661	S	S	*	*	H	α-helix	trans	-83	-26.5	179.2	-92.9	-89.8	0	0	0	114.6	F90 A91 T92	F90-F94 WeakPolarHBondContact O-CD2 3.38Å; F90-F94 PolarHBondContact O-N 3.02Å; A91-F94 PolarHBondContact O-N 2.71Å; T92-F94 VanDerWaalsContact C-N 3.33Å
95	S	45.3	Very low	47.3	Very low	86 Å²	86	126.8 Å²	126.8	60%	0.601	67%	0.668	S	S	*	*	H	α-helix	trans	-81.8	-10.3	179.5	46.2	0	0	0	0	114.5	A91 T92 I97	A91-S95 WeakPolarHBondContact O-CB 3.19Å; A91-S95 PolarHBondContact O-N 3.36Å; A91-S95 PolarHBondContact O-OG 3.02Å; T92-S95 WeakPolarHBondContact CA-OG 3.46Å; T92-S95 PolarHBondContact O-OG 3.05Å; S95-I97 PolarHBondContact O-N 2.87Å
96	K	40.5	Very low	46	Very low	179 Å²	179	128.3 Å²	128.3	78%	0.778	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	5.2	174.8	-77.1	-175	178.6	-178.2	0	114.8
97	I	43.4	Very low	45.1	Very low	140 Å²	140	131.4 Å²	131.4	72%	0.718	70%	0.696	S	S	*	*			trans	-114.4	81.1	176.6	-51.5	175.5	0	0	0	109.6	S95	S95-I97 PolarHBondContact O-N 2.87Å
98	K	31.7	Very low	43.9	Very low	199 Å²	199	128.5 Å²	128.5	87%	0.865	69%	0.694	S	S	*	*			trans	-154	113.6	155.2	-132.1	-176.6	-176.4	-173.4	0	109.8
99	P	34.7	Very low	42.9	Very low	123 Å²	123	126.6 Å²	126.6	80%	0.799	69%	0.688	S	S	*	*			trans	-93.3	130.4	168	30	-22.1	0	0	0	110
100	E	27.7	Very low	42.4	Very low	186 Å²	186	129.2 Å²	129.2	87%	0.869	69%	0.693	S	S	*	*			trans	-90.6	126.3	161.8	-87.9	-176.1	167.2	0	0	110.7
101	S	32	Very low	42.4	Very low	104 Å²	104	127.6 Å²	127.6	73%	0.727	69%	0.689	S	S	*	*			trans	46.3	109.2	153.4	63.9	0	0	0	0	120.7
102	S	29.6	Very low	42	Very low	127 Å²	127	130 Å²	130	89%	0.888	69%	0.692	S	S	*	*				-149.1	131.4	116.7	-83	0	0	0	0	110
103	Q	38.7	Very low	41.8	Very low	189 Å²	189	132.9 Å²	132.9	88%	0.883	70%	0.698	S	S	*	*			trans	-75.7	127.8	-171.3	-69.8	167.3	-34.1	0	0	110.9
104	Q	41.2	Very low	41.9	Very low	177 Å²	177	134.5 Å²	134.5	83%	0.827	70%	0.702	S	S	*	*			trans	151.9	142.3	139.6	-83.7	171.8	-8.3	0	0	108.5
105	V	41.3	Very low	42.6	Very low	112 Å²	112	133.9 Å²	133.9	68%	0.679	70%	0.696	S	S	*	*			trans	88.9	74.6	-172.4	-161.7	0	0	0	0	114.8
106	V	43.7	Very low	43.2	Very low	107 Å²	107	134.4 Å²	134.4	65%	0.648	69%	0.689	S	S	*	*			trans	-112	-8.9	-177.9	175.8	0	0	0	0	114.9	L110	V106-L110 HydrophobicContact CG1-CD1 4.4Å
107	Q	44.8	Very low	44.2	Very low	171 Å²	171	131.4 Å²	131.4	80%	0.799	68%	0.681	S	S	*	*	S	Bend	trans	-89.8	-32.9	-175.9	-87.9	174.5	-34.7	0	0	115.7
108	D	43.1	Very low	45	Very low	121 Å²	121	132.1 Å²	132.1	65%	0.647	68%	0.676	S	S	*	*	H	α-helix	trans	-82.2	-29.5	-175.5	-67.7	-25.8	0	0	0	114.4	L110 M112	D108-L110 PolarHBondContact O-N 3.37Å; D108-M112 PolarHBondContact O-N 3.33Å
109	N	44.2	Very low	46.7	Very low	93 Å²	93	125 Å²	125	50%	0.497	65%	0.645	S	S	.	*	H	α-helix	trans	-74.9	-24	-176	-88.6	-35.9	0	0	0	114.5	K113	N109-K113 WeakPolarHBondContact O-CG 3.27Å; N109-K113 PolarHBondContact O-N 3.3Å
110	L	49	Very low	48.8	Very low	112 Å²	112	123.5 Å²	123.5	59%	0.586	63%	0.631	S	S	*	*	H	α-helix	trans	-76.4	-36.6	176.6	-79.2	162.8	0	0	0	111.5	V106 D108 T114	V106-L110 HydrophobicContact CG1-CD1 4.4Å; D108-L110 PolarHBondContact O-N 3.37Å; L110-T114 WeakPolarHBondContact O-CB 3.2Å; L110-T114 PolarHBondContact O-N 2.93Å; L110-T114 VanDerWaalsContact O-N 3.15Å; L110-T114 PolarHBondContact O-OG1 2.91Å
111	I	53.1	Low	51.6	Low	95 Å²	95	120.6 Å²	120.6	49%	0.487	62%	0.615	S	S	.	*	H	α-helix	trans	-65.3	-51.4	174	-60.3	177.6	0	0	0	108.4	K113 T114 Y115	I111-K113 PolarHBondContact O-N 3.29Å; I111-T114 PolarHBondContact O-N 3Å; I111-Y115 HydrophobicContact CG2-CD2 3.48Å; I111-Y115 VanDerWaalsContact CG2-CD2 3.48Å; I111-Y115 HydrophobicContact CG2-CE2 3.4Å; I111-Y115 VanDerWaalsContact O-CD2 3.27Å; I111-Y115 WeakPolarHBondContact O-CD2 3.3Å; I111-Y115 PolarHBondContact O-N 3.37Å
112	M	49.9	Very low	54.3	Low	109 Å²	109	119 Å²	119	54%	0.537	60%	0.595	S	S	.	*	H	α-helix	trans	-61.2	-38.3	-177.8	-142.9	173.3	85.4	0	0	114.1	D108 Q116	D108-M112 PolarHBondContact O-N 3.33Å; M112-Q116 WeakPolarHBondContact O-CB 3.43Å; M112-Q116 WeakPolarHBondContact O-CG 3.16Å; M112-Q116 PolarHBondContact O-N 3.29Å
113	K	49.1	Very low	57.2	Low	140 Å²	140	114.7 Å²	114.7	61%	0.609	56%	0.561	S	S	*	*	H	α-helix	trans	-69	-34.5	173.6	-79.1	-178.7	177.2	179.6	0	113.3	N109 I111 N117	N109-K113 WeakPolarHBondContact O-CG 3.27Å; N109-K113 PolarHBondContact O-N 3.3Å; I111-K113 PolarHBondContact O-N 3.29Å; K113-N117 WeakPolarHBondContact O-CB 3.17Å; K113-N117 PolarHBondContact O-N 3.3Å
114	T	52.8	Low	59.6	Low	96 Å²	96	111.9 Å²	111.9	59%	0.589	55%	0.548	S	S	*	.	H	α-helix	trans	-71.6	-39.7	176.8	-50.8	0	0	0	0	110.8	L110 I111 Y118	L110-T114 WeakPolarHBondContact O-CB 3.2Å; L110-T114 PolarHBondContact O-N 2.93Å; L110-T114 VanDerWaalsContact O-N 3.15Å; L110-T114 PolarHBondContact O-OG1 2.91Å; I111-T114 PolarHBondContact O-N 3Å; T114-Y118 VanDerWaalsContact O-CB 3.23Å; T114-Y118 WeakPolarHBondContact O-CB 3.09Å; T114-Y118 PolarHBondContact O-N 2.77Å
115	Y	58.1	Low	62.1	Low	146 Å²	146	108.4 Å²	108.4	57%	0.573	53%	0.532	S	S	*	.	H	α-helix	trans	-65.4	-44.1	173.2	-87.5	-93.5	0	0	0	112.3	I111 Y118 E119	I111-Y115 HydrophobicContact CG2-CD2 3.48Å; I111-Y115 VanDerWaalsContact CG2-CD2 3.48Å; I111-Y115 HydrophobicContact CG2-CE2 3.4Å; I111-Y115 VanDerWaalsContact O-CD2 3.27Å; I111-Y115 WeakPolarHBondContact O-CD2 3.3Å; I111-Y115 PolarHBondContact O-N 3.37Å; Y115-Y118 PolarHBondContact O-N 3.41Å; Y115-E119 WeakPolarHBondContact O-CB 3.4Å; Y115-E119 WeakPolarHBondContact O-CG 3.38Å; Y115-E119 PolarHBondContact O-N 3.29Å
116	Q	58.8	Low	64.5	Low	97 Å²	97	104.8 Å²	104.8	45%	0.453	51%	0.508	S	S	.	.	H	α-helix	trans	-65.6	-38.5	175.7	-77.7	178.7	-18.4	0	0	113.2	M112 N120	M112-Q116 WeakPolarHBondContact O-CB 3.43Å; M112-Q116 WeakPolarHBondContact O-CG 3.16Å; M112-Q116 PolarHBondContact O-N 3.29Å; Q116-N120 WeakPolarHBondContact O-CB 3.36Å; Q116-N120 PolarHBondContact O-N 3.32Å; Q116-N120 PolarHBondContact O-ND2 3.3Å
117	N	61.4	Low	66.9	Low	116 Å²	116	100.6 Å²	100.6	62%	0.62	48%	0.483	S	S	*	.	H	α-helix	trans	-68.1	-38.7	173.8	-87.6	-6.7	0	0	0	112.1	K113 K121	K113-N117 WeakPolarHBondContact O-CB 3.17Å; K113-N117 PolarHBondContact O-N 3.3Å; N117-K121 WeakPolarHBondContact O-CB 3.45Å; N117-K121 PolarHBondContact O-N 2.9Å
118	Y	60.6	Low	69.2	Low	154 Å²	154	95.6 Å²	95.6	60%	0.604	47%	0.467	S	S	*	.	H	α-helix	trans	-64.1	-42.2	174.6	-179.7	-97.3	0	0	0	111.7	T114 Y115 K121 K122	T114-Y118 VanDerWaalsContact O-CB 3.23Å; T114-Y118 WeakPolarHBondContact O-CB 3.09Å; T114-Y118 PolarHBondContact O-N 2.77Å; Y115-Y118 PolarHBondContact O-N 3.41Å; Y118-K121 PolarHBondContact O-N 2.83Å; Y118-K122 WeakPolarHBondContact O-CB 3.37Å; Y118-K122 PolarHBondContact O-N 3.44Å
119	E	67.4	Low	71.7	Confident	49 Å²	49	92.5 Å²	92.5	23%	0.229	46%	0.458	C	S	.	.	H	α-helix	trans	-64	-44.5	175	-78.6	171.6	-172.3	0	0	112.7	Y115 K121 K122 H123 R159	Y115-E119 WeakPolarHBondContact O-CB 3.4Å; Y115-E119 WeakPolarHBondContact O-CG 3.38Å; Y115-E119 PolarHBondContact O-N 3.29Å; E119-K121 VanDerWaalsContact C-N 3.29Å; E119-K121 PolarHBondContact O-N 3.3Å; E119-K122 PolarHBondContact O-N 3.38Å; E119-H123 PolarHBondContact O-CD2 3.36Å; E119-H123 PolarHBondContact O-N 3.15Å; E119-R159 VanDerWaalsContact CD-NH1 3.33Å; E119-R159 IonicContact OE1-CZ 3.42Å; E119-R159 IonicContact OE1-NH1 3.72Å; E119-R159 PolarHBondContact OE1-NH1 3.43Å; E119-R159 IonicContact OE1-NH2 3.41Å; E119-R159 PolarHBondContact OE1-NH2 2.75Å; E119-R159 VanDerWaalsContact OE1-NH2 3.17Å; E119-R159 IonicContact OE2-NH1 3.2Å
120	N	78.6	Confident	74.1	Confident	93 Å²	93	88.3 Å²	88.3	50%	0.497	44%	0.436	S	S	.	.	H	α-helix	trans	-61.6	-39	175.1	-79.5	-26.3	0	0	0	112	Q116 H123 Q124	Q116-N120 WeakPolarHBondContact O-CB 3.36Å; Q116-N120 PolarHBondContact O-N 3.32Å; Q116-N120 PolarHBondContact O-ND2 3.3Å; N120-H123 PolarHBondContact O-N 3.46Å; N120-Q124 VanDerWaalsContact O-CG 3.26Å; N120-Q124 WeakPolarHBondContact O-CG 3.37Å; N120-Q124 PolarHBondContact O-N 2.97Å
121	K	86.9	Confident	76.3	Confident	124 Å²	124	84.1 Å²	84.1	54%	0.539	41%	0.414	S	S	.	.	H	α-helix	trans	-64.4	-46.4	175	-169.2	-175	179.2	-162.8	0	111.2	N117 Y118 E119 H123 Q124 E125	N117-K121 WeakPolarHBondContact O-CB 3.45Å; N117-K121 PolarHBondContact O-N 2.9Å; Y118-K121 PolarHBondContact O-N 2.83Å; E119-K121 VanDerWaalsContact C-N 3.29Å; E119-K121 PolarHBondContact O-N 3.3Å; K121-H123 VanDerWaalsContact C-N 3.33Å; K121-H123 PolarHBondContact O-N 3.3Å; K121-Q124 WeakPolarHBondContact O-CB 3.39Å; K121-Q124 PolarHBondContact O-N 3.48Å; K121-Q124 VanDerWaalsContact O-N 3.16Å; K121-E125 WeakPolarHBondContact CE-OE1 3.28Å; K121-E125 IonicContact NZ-OE1 3.17Å; K121-E125 WeakPolarHBondContact O-CG 3.24Å; K121-E125 PolarHBondContact O-N 2.8Å
122	K	87.9	Confident	78.1	Confident	70 Å²	70	81.2 Å²	81.2	30%	0.304	40%	0.402	S	S	.	.	H	α-helix	trans	-61	-39.9	177.6	-168.4	-174.6	176.9	-156.6	0	112.2	Y118 E119 E125 L126 D157	Y118-K122 WeakPolarHBondContact O-CB 3.37Å; Y118-K122 PolarHBondContact O-N 3.44Å; E119-K122 PolarHBondContact O-N 3.38Å; K122-E125 PolarHBondContact O-N 3.25Å; K122-L126 WeakPolarHBondContact O-CG 3.28Å; K122-L126 PolarHBondContact O-N 3.35Å; K122-D157 IonicContact NZ-OD2 3.39Å; K122-D157 PolarHBondContact NZ-OD2 3.34Å
123	H	90.8	Very high	80.2	Confident	38 Å²	38	78.8 Å²	78.8	18%	0.176	39%	0.391	C	S	.	.	H	α-helix	trans	-67.3	-36.1	175.3	-71.4	-172.4	0	0	0	112.6	E119 N120 K121 L126 T127 R159 Y160	E119-H123 PolarHBondContact O-CD2 3.36Å; E119-H123 PolarHBondContact O-N 3.15Å; N120-H123 PolarHBondContact O-N 3.46Å; K121-H123 VanDerWaalsContact C-N 3.33Å; K121-H123 PolarHBondContact O-N 3.3Å; H123-L126 PolarHBondContact O-N 3.39Å; H123-T127 WeakPolarHBondContact O-CB 3.33Å; H123-T127 PolarHBondContact O-N 3.14Å; H123-T127 PolarHBondContact O-OG1 2.95Å; H123-R159 PolarHBondContact CE1-O 2.78Å; H123-Y160 HydrophobicContact CB-CD2 3.94Å; H123-Y160 HydrophobicContact CB-CE2 4.34Å; H123-Y160 AromaticContact CD2-CD2 4Å; H123-Y160 AromaticContact CG-CD2 3.82Å
124	Q	89.9	Confident	82.3	Confident	129 Å²	129	72.1 Å²	72.1	60%	0.603	36%	0.362	S	S	*	.	H	α-helix	trans	-66.1	-41.1	172.7	-73.3	171.3	-1.1	0	0	111.4	N120 K121 T127 S128	N120-Q124 VanDerWaalsContact O-CG 3.26Å; N120-Q124 WeakPolarHBondContact O-CG 3.37Å; N120-Q124 PolarHBondContact O-N 2.97Å; K121-Q124 WeakPolarHBondContact O-CB 3.39Å; K121-Q124 PolarHBondContact O-N 3.48Å; K121-Q124 VanDerWaalsContact O-N 3.16Å; Q124-T127 PolarHBondContact O-N 3.42Å; Q124-S128 WeakPolarHBondContact O-CB 3.49Å; Q124-S128 PolarHBondContact O-N 2.77Å; Q124-S128 PolarHBondContact O-OG 2.96Å
125	E	92	Very high	84.2	Confident	104 Å²	104	67.6 Å²	67.6	49%	0.486	33%	0.334	S	S	.	.	H	α-helix	trans	-62.3	-45.4	174.7	-72.4	168.8	-177.3	0	0	111	K121 K122 S128 A129	K121-E125 WeakPolarHBondContact CE-OE1 3.28Å; K121-E125 IonicContact NZ-OE1 3.17Å; K121-E125 WeakPolarHBondContact O-CG 3.24Å; K121-E125 PolarHBondContact O-N 2.8Å; K122-E125 PolarHBondContact O-N 3.25Å; E125-S128 WeakPolarHBondContact O-CB 3.46Å; E125-S128 PolarHBondContact O-N 3.09Å; E125-A129 WeakPolarHBondContact O-CB 3.18Å; E125-A129 PolarHBondContact O-N 2.93Å
126	L	93.1	Very high	85.6	Confident	36 Å²	36	64 Å²	64	19%	0.188	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-45.3	173.6	-77	172	0	0	0	112.2	K122 H123 S128 A129 V130 D157 Y160	K122-L126 WeakPolarHBondContact O-CG 3.28Å; K122-L126 PolarHBondContact O-N 3.35Å; H123-L126 PolarHBondContact O-N 3.39Å; L126-S128 VanDerWaalsContact C-N 3.28Å; L126-S128 PolarHBondContact O-N 3.4Å; L126-A129 PolarHBondContact O-N 3.06Å; L126-V130 WeakPolarHBondContact O-CG2 3.28Å; L126-V130 PolarHBondContact O-N 2.78Å; L126-D157 HydrophobicContact CD1-CB 4.13Å; L126-Y160 HydrophobicContact CB-CD1 4.49Å; L126-Y160 HydrophobicContact CB-CD2 4.26Å; L126-Y160 HydrophobicContact CB-CE1 4.25Å; L126-Y160 HydrophobicContact CB-CE2 4.03Å; L126-Y160 HydrophobicContact CB-CG 4.48Å; L126-Y160 HydrophobicContact CD1-CD1 4.12Å; L126-Y160 HydrophobicContact CD1-CD2 4.12Å; L126-Y160 HydrophobicContact CD1-CG 3.8Å
127	T	94.1	Very high	87	Confident	20 Å²	20	60.1 Å²	60.1	12%	0.123	31%	0.309	C	S	.	.	H	α-helix	trans	-60.6	-42.5	176.5	-55.3	0	0	0	0	110.6	H123 Q124 V130 I131 Y160 P163 Y167	H123-T127 WeakPolarHBondContact O-CB 3.33Å; H123-T127 PolarHBondContact O-N 3.14Å; H123-T127 PolarHBondContact O-OG1 2.95Å; Q124-T127 PolarHBondContact O-N 3.42Å; T127-V130 PolarHBondContact O-N 2.85Å; T127-I131 HydrophobicContact CG2-CD1 4.38Å; T127-I131 WeakPolarHBondContact O-CG1 3.5Å; T127-I131 PolarHBondContact O-N 3.31Å; T127-Y160 WeakPolarHBondContact CA-OH 3.38Å; T127-Y160 PolarHBondContact OG1-OH 2.92Å; T127-P163 HydrophobicContact CG2-CG 4.09Å; T127-Y167 HydrophobicContact CG2-CE1 4.34Å
128	S	92.9	Very high	88.4	Confident	65 Å²	65	54.6 Å²	54.6	46%	0.455	28%	0.279	S	S	.	.	H	α-helix	trans	-63.8	-41.2	177.6	-57.1	0	0	0	0	111.5	Q124 E125 L126 V130 I131 S132	Q124-S128 WeakPolarHBondContact O-CB 3.49Å; Q124-S128 PolarHBondContact O-N 2.77Å; Q124-S128 PolarHBondContact O-OG 2.96Å; E125-S128 WeakPolarHBondContact O-CB 3.46Å; E125-S128 PolarHBondContact O-N 3.09Å; L126-S128 VanDerWaalsContact C-N 3.28Å; L126-S128 PolarHBondContact O-N 3.4Å; S128-V130 VanDerWaalsContact C-N 3.34Å; S128-V130 PolarHBondContact O-N 3.07Å; S128-I131 WeakPolarHBondContact O-CB 3.42Å; S128-I131 PolarHBondContact O-N 3.41Å; S128-I131 VanDerWaalsContact O-N 3.17Å; S128-S132 PolarHBondContact O-N 2.83Å
129	A	94.2	Very high	89.9	Confident	57 Å²	57	51.4 Å²	51.4	47%	0.471	27%	0.266	S	S	.	.	H	α-helix	trans	-62.9	-38.5	174.5	0	0	0	0	0	112.1	E125 L126 S132 L133	E125-A129 WeakPolarHBondContact O-CB 3.18Å; E125-A129 PolarHBondContact O-N 2.93Å; L126-A129 PolarHBondContact O-N 3.06Å; A129-S132 PolarHBondContact O-N 3.02Å; A129-L133 WeakPolarHBondContact O-CB 3.42Å; A129-L133 PolarHBondContact O-N 3.48Å
130	V	95.8	Very high	91.1	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.03	26%	0.263	C	S	.	.	H	α-helix	trans	-65.9	-39.6	173.1	177.5	0	0	0	0	111.3	L126 T127 S128 S132 L133 I134 V144 F149 L153 L162 F168	L126-V130 WeakPolarHBondContact O-CG2 3.28Å; L126-V130 PolarHBondContact O-N 2.78Å; T127-V130 PolarHBondContact O-N 2.85Å; S128-V130 VanDerWaalsContact C-N 3.34Å; S128-V130 PolarHBondContact O-N 3.07Å; V130-S132 VanDerWaalsContact C-N 3.35Å; V130-L133 PolarHBondContact O-N 2.71Å; V130-I134 HydrophobicContact CG1-CD1 4.04Å; V130-I134 WeakPolarHBondContact O-CG1 3.45Å; V130-I134 PolarHBondContact O-N 3.04Å; V130-V144 HydrophobicContact CG1-CG1 3.91Å; V130-F149 HydrophobicContact CG1-CE1 4.32Å; V130-F149 HydrophobicContact CG1-CZ 4.35Å; V130-F149 HydrophobicContact CG2-CZ 4.19Å; V130-L153 HydrophobicContact CG2-CD1 4.17Å; V130-L153 HydrophobicContact CG2-CD2 4.43Å; V130-L162 HydrophobicContact CG1-CD1 4.2Å; V130-L162 HydrophobicContact CG2-CD1 4.14Å; V130-F168 HydrophobicContact CB-CE1 4.27Å; V130-F168 HydrophobicContact CB-CZ 4.14Å; V130-F168 HydrophobicContact CG1-CE1 3.77Å; V130-F168 HydrophobicContact CG1-CE2 4.33Å; V130-F168 HydrophobicContact CG1-CZ 3.54Å
131	I	93.9	Very high	91.7	Very high	24 Å²	24	46.1 Å²	46.1	12%	0.123	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-46.1	173.7	-63.1	166.3	0	0	0	110	T127 S128 I134 C135 F168 A172 K176	T127-I131 HydrophobicContact CG2-CD1 4.38Å; T127-I131 WeakPolarHBondContact O-CG1 3.5Å; T127-I131 PolarHBondContact O-N 3.31Å; S128-I131 WeakPolarHBondContact O-CB 3.42Å; S128-I131 PolarHBondContact O-N 3.41Å; S128-I131 VanDerWaalsContact O-N 3.17Å; I131-I134 PolarHBondContact O-N 3.12Å; I131-C135 WeakPolarHBondContact O-CB 3.34Å; I131-C135 PolarHBondContact O-N 3.36Å; I131-C135 PolarHBondContact O-SG 3.12Å; I131-F168 HydrophobicContact CG1-CD1 4.03Å; I131-F168 HydrophobicContact CG1-CE1 3.72Å; I131-A172 HydrophobicContact CD1-CB 3.83Å; I131-A172 HydrophobicContact CG1-CB 4.07Å; I131-K176 HydrophobicContact CG2-CD 3.55Å
132	S	92.5	Very high	92	Very high	33 Å²	33	42.5 Å²	42.5	23%	0.231	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-44.6	175.8	-76.6	0	0	0	0	112	S128 A129 V130 I134 C135 E136 G137 K176	S128-S132 PolarHBondContact O-N 2.83Å; A129-S132 PolarHBondContact O-N 3.02Å; V130-S132 VanDerWaalsContact C-N 3.35Å; S132-I134 VanDerWaalsContact C-N 3.31Å; S132-I134 PolarHBondContact O-N 3.32Å; S132-C135 PolarHBondContact O-N 3.15Å; S132-E136 VanDerWaalsContact CB-OE1 3.27Å; S132-E136 WeakPolarHBondContact CB-OE1 3.39Å; S132-E136 WeakPolarHBondContact O-CA 3.41Å; S132-E136 VanDerWaalsContact O-CB 3.27Å; S132-E136 WeakPolarHBondContact O-CB 3.41Å; S132-E136 PolarHBondContact O-N 2.63Å; S132-E136 PolarHBondContact OG-OE1 3.39Å; S132-G137 PolarHBondContact O-N 2.79Å; S132-K176 PolarHBondContact OG-NZ 3.31Å
133	L	93.1	Very high	92.3	Very high	59 Å²	59	40.9 Å²	40.9	31%	0.309	23%	0.227	S	C	.	.	H	α-helix	trans	-54.7	-47.4	173.7	-178.5	69.9	0	0	0	111.7	A129 V130 G137 Y139 I143 F149	A129-L133 WeakPolarHBondContact O-CB 3.42Å; A129-L133 PolarHBondContact O-N 3.48Å; V130-L133 PolarHBondContact O-N 2.71Å; L133-G137 WeakPolarHBondContact O-CA 3.44Å; L133-G137 PolarHBondContact O-N 3.25Å; L133-G137 VanDerWaalsContact O-N 3.1Å; L133-Y139 HydrophobicContact CD1-CD2 4.05Å; L133-Y139 HydrophobicContact CD1-CE2 3.94Å; L133-Y139 HydrophobicContact CG-CD2 4.19Å; L133-Y139 WeakPolarHBondContact O-CD2 3.48Å; L133-I143 HydrophobicContact CD2-CD1 4.08Å; L133-F149 HydrophobicContact CD2-CE2 3.59Å; L133-F149 HydrophobicContact CD2-CZ 3.68Å
134	I	93.4	Very high	92.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-44.1	179.7	-69	167.4	0	0	0	111.5	V130 I131 S132 M138 Y139 I143 V144 F168 I173	V130-I134 HydrophobicContact CG1-CD1 4.04Å; V130-I134 WeakPolarHBondContact O-CG1 3.45Å; V130-I134 PolarHBondContact O-N 3.04Å; I131-I134 PolarHBondContact O-N 3.12Å; S132-I134 VanDerWaalsContact C-N 3.31Å; S132-I134 PolarHBondContact O-N 3.32Å; I134-M138 WeakPolarHBondContact O-CA 2.88Å; I134-M138 PolarHBondContact O-N 2.88Å; I134-Y139 WeakPolarHBondContact CG2-O 3.29Å; I134-Y139 PolarHBondContact O-N 3.12Å; I134-I143 HydrophobicContact CD1-CG2 4.43Å; I134-I143 HydrophobicContact CG1-CG2 4.01Å; I134-V144 HydrophobicContact CD1-CG1 3.87Å; I134-F168 HydrophobicContact CD1-CB 4.48Å; I134-F168 HydrophobicContact CD1-CD1 3.87Å; I134-F168 HydrophobicContact CD1-CE1 4.25Å; I134-F168 HydrophobicContact CD1-CG 4.12Å; I134-I173 HydrophobicContact CG2-CD1 3.79Å; I134-I173 HydrophobicContact CG2-CG1 4.37Å
135	C	91.9	Very high	92.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-85.1	-57.4	-172.3	-57.7	0	0	0	0	112.6	I131 S132 M138 K176 L646 Y647	I131-C135 WeakPolarHBondContact O-CB 3.34Å; I131-C135 PolarHBondContact O-N 3.36Å; I131-C135 PolarHBondContact O-SG 3.12Å; S132-C135 PolarHBondContact O-N 3.15Å; C135-M138 PolarHBondContact O-N 3.29Å; C135-K176 HydrophobicContact CB-CD 4.46Å; C135-L646 HydrophobicContact CB-CB 4.07Å; C135-L646 HydrophobicContact CB-CD1 4.27Å; C135-Y647 WeakPolarHBondContact O-CA 3.39Å
136	E	88.6	Confident	93	Very high	72 Å²	72	34.6 Å²	34.6	34%	0.336	20%	0.2	S	C	.	.	H	α-helix	trans	-75.4	-27.3	-177.6	-65	151.5	-137.6	0	0	111.7	S132 K176 Y647 T650	S132-E136 VanDerWaalsContact CB-OE1 3.27Å; S132-E136 WeakPolarHBondContact CB-OE1 3.39Å; S132-E136 WeakPolarHBondContact O-CA 3.41Å; S132-E136 VanDerWaalsContact O-CB 3.27Å; S132-E136 WeakPolarHBondContact O-CB 3.41Å; S132-E136 PolarHBondContact O-N 2.63Å; S132-E136 PolarHBondContact OG-OE1 3.39Å; E136-K176 IonicContact OE1-NZ 2.62Å; E136-K176 PolarHBondContact OE1-NZ 3Å; E136-Y647 WeakPolarHBondContact O-CD2 3.46Å; E136-Y647 WeakPolarHBondContact O-CE2 3.36Å; E136-T650 VanDerWaalsContact CG-OG1 3.24Å; E136-T650 WeakPolarHBondContact CG-OG1 3.24Å
137	G	87.6	Confident	93.1	Very high	15 Å²	15	37.4 Å²	37.4	16%	0.155	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.4	172.3	0	0	0	0	0	114.6	S132 L133 Y139	S132-G137 PolarHBondContact O-N 2.79Å; L133-G137 WeakPolarHBondContact O-CA 3.44Å; L133-G137 PolarHBondContact O-N 3.25Å; L133-G137 VanDerWaalsContact O-N 3.1Å; G137-Y139 VanDerWaalsContact C-N 3.3Å; G137-Y139 WeakPolarHBondContact O-CD2 3.42Å; G137-Y139 PolarHBondContact O-N 3.23Å
138	M	90.8	Very high	93.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	45.1	-173.8	-157.2	-168.8	-49.6	0	0	112.8	I134 C135 V628 K631 R632 L635 I644 Y647	I134-M138 WeakPolarHBondContact O-CA 2.88Å; I134-M138 PolarHBondContact O-N 2.88Å; C135-M138 PolarHBondContact O-N 3.29Å; M138-V628 HydrophobicContact CE-CG1 4.45Å; M138-K631 HydrophobicContact CB-CB 4.1Å; M138-K631 HydrophobicContact CB-CD 4.2Å; M138-K631 HydrophobicContact CB-CG 4.4Å; M138-K631 HydrophobicContact CE-CB 4.29Å; M138-K631 HydrophobicContact CG-CB 4.2Å; M138-K631 HydrophobicContact SD-CB 3.6Å; M138-R632 HydrophobicContact SD-CG 3.85Å; M138-L635 HydrophobicContact CG-CD1 3.85Å; M138-L635 HydrophobicContact CG-CD2 4.1Å; M138-L635 HydrophobicContact CG-CG 4.32Å; M138-L635 HydrophobicContact SD-CD1 4Å; M138-I644 HydrophobicContact SD-CG1 4.47Å; M138-Y647 HydrophobicContact CB-CD2 3.59Å; M138-Y647 HydrophobicContact CB-CE2 3.76Å; M138-Y647 HydrophobicContact CB-CG 4.18Å; M138-Y647 HydrophobicContact CE-CD1 3.16Å; M138-Y647 HydrophobicContact CE-CD2 3.66Å; M138-Y647 HydrophobicContact CE-CE1 3.22Å; M138-Y647 HydrophobicContact CE-CE2 3.67Å; M138-Y647 HydrophobicContact CE-CG 3.34Å; M138-Y647 VanDerWaalsContact CE-CZ 3.42Å; M138-Y647 HydrophobicContact CG-CD2 4.38Å
139	Y	92.1	Very high	93.5	Very high	86 Å²	86	39.3 Å²	39.3	34%	0.337	23%	0.227	S	C	.	.			trans	-89.5	144.2	175.5	-74.6	-91.6	0	0	0	110.9	L133 I134 G137 A141 I143 Q643	L133-Y139 HydrophobicContact CD1-CD2 4.05Å; L133-Y139 HydrophobicContact CD1-CE2 3.94Å; L133-Y139 HydrophobicContact CG-CD2 4.19Å; L133-Y139 WeakPolarHBondContact O-CD2 3.48Å; I134-Y139 WeakPolarHBondContact CG2-O 3.29Å; I134-Y139 PolarHBondContact O-N 3.12Å; G137-Y139 VanDerWaalsContact C-N 3.3Å; G137-Y139 WeakPolarHBondContact O-CD2 3.42Å; G137-Y139 PolarHBondContact O-N 3.23Å; Y139-A141 PolarHBondContact O-N 3.23Å; Y139-I143 HydrophobicContact CD1-CD1 3.86Å; Y139-I143 HydrophobicContact CE1-CD1 4.43Å; Y139-I143 HydrophobicContact CG-CD1 4.19Å; Y139-Q643 PolarHBondContact O-NE2 3.3Å
140	P	91.9	Very high	93.5	Very high	25 Å²	25	40 Å²	40	16%	0.162	22%	0.22	C	C	.	.			trans	-60.6	138.7	169.6	-21.9	33.8	0	0	0	110.5	S142 I143 R634	P140-S142 PolarHBondContact O-N 3.45Å; P140-I143 WeakPolarHBondContact O-CG2 3.3Å; P140-I143 PolarHBondContact O-N 3.18Å; P140-R634 HydrophobicContact CG-CB 3.76Å; P140-R634 WeakPolarHBondContact CG-O 3.28Å
141	A	92.5	Very high	93.5	Very high	6 Å²	6	42 Å²	42	5%	0.05	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-59	-15.2	178	0	0	0	0	0	113.6	Y139 I143 V144 R165 C169 I173	Y139-A141 PolarHBondContact O-N 3.23Å; A141-I143 PolarHBondContact O-N 3.09Å; A141-V144 VanDerWaalsContact O-CG2 3.28Å; A141-V144 WeakPolarHBondContact O-CG2 3.47Å; A141-V144 PolarHBondContact O-N 3.03Å; A141-R165 HydrophobicContact CB-CG 4.43Å; A141-C169 VanDerWaalsContact CB-SG 3.53Å; A141-I173 HydrophobicContact CB-CD1 4.23Å
142	S	92.4	Very high	93.7	Very high	49 Å²	49	46.1 Å²	46.1	34%	0.343	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-65.1	-12.6	172.3	54.3	0	0	0	0	114.4	P140 V144 D145	P140-S142 PolarHBondContact O-N 3.45Å; S142-V144 PolarHBondContact O-N 3.03Å; S142-D145 WeakPolarHBondContact O-CB 3.48Å; S142-D145 PolarHBondContact O-N 3.42Å
143	I	94.5	Very high	93.8	Very high	35 Å²	35	45.4 Å²	45.4	18%	0.179	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-56.1	-32.3	173.8	-166.4	168	0	0	0	112.1	L133 I134 Y139 P140 A141 D145 E146 F149	L133-I143 HydrophobicContact CD2-CD1 4.08Å; I134-I143 HydrophobicContact CD1-CG2 4.43Å; I134-I143 HydrophobicContact CG1-CG2 4.01Å; Y139-I143 HydrophobicContact CD1-CD1 3.86Å; Y139-I143 HydrophobicContact CE1-CD1 4.43Å; Y139-I143 HydrophobicContact CG-CD1 4.19Å; P140-I143 WeakPolarHBondContact O-CG2 3.3Å; P140-I143 PolarHBondContact O-N 3.18Å; A141-I143 PolarHBondContact O-N 3.09Å; I143-D145 PolarHBondContact O-N 3.01Å; I143-E146 VanDerWaalsContact O-CB 3.24Å; I143-E146 WeakPolarHBondContact O-CB 3.45Å; I143-E146 PolarHBondContact O-N 3.41Å; I143-E146 VanDerWaalsContact O-N 3.07Å; I143-F149 HydrophobicContact CD1-CD2 4.47Å; I143-F149 HydrophobicContact CG1-CD1 4.29Å; I143-F149 HydrophobicContact CG1-CD2 4.33Å; I143-F149 HydrophobicContact CG1-CG 4.13Å; I143-F149 VanDerWaalsContact O-CD1 3.32Å; I143-F149 WeakPolarHBondContact O-CD1 3.44Å
144	V	95.4	Very high	93.8	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.012	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-70.8	-13.8	179	-48	0	0	0	0	113.1	V130 I134 A141 S142 F149 K150 L162 R165 F168	V130-V144 HydrophobicContact CG1-CG1 3.91Å; I134-V144 HydrophobicContact CD1-CG1 3.87Å; A141-V144 VanDerWaalsContact O-CG2 3.28Å; A141-V144 WeakPolarHBondContact O-CG2 3.47Å; A141-V144 PolarHBondContact O-N 3.03Å; S142-V144 PolarHBondContact O-N 3.03Å; V144-F149 HydrophobicContact CG1-CE1 4.4Å; V144-K150 WeakPolarHBondContact O-CE 3.47Å; V144-L162 HydrophobicContact CB-CD2 3.93Å; V144-L162 HydrophobicContact CB-CG 4.39Å; V144-L162 WeakPolarHBondContact O-CD2 3.35Å; V144-R165 HydrophobicContact CG2-CB 3.76Å; V144-F168 HydrophobicContact CB-CD2 4.36Å; V144-F168 HydrophobicContact CB-CE2 4.21Å; V144-F168 HydrophobicContact CG1-CD2 3.86Å; V144-F168 HydrophobicContact CG1-CE2 3.71Å; V144-F168 HydrophobicContact CG1-CZ 4.28Å; V144-F168 HydrophobicContact CG2-CD2 4.05Å; V144-F168 HydrophobicContact CG2-CE2 4.33Å
145	D	95.3	Very high	93.8	Very high	70 Å²	70	56 Å²	56	37%	0.374	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-88.2	-16	174.7	-65.8	-36	0	0	0	112.1	S142 I143 K150 R165	S142-D145 WeakPolarHBondContact O-CB 3.48Å; S142-D145 PolarHBondContact O-N 3.42Å; I143-D145 PolarHBondContact O-N 3.01Å; D145-K150 WeakPolarHBondContact O-CE 3.31Å; D145-K150 PolarHBondContact O-NZ 3.25Å; D145-R165 WeakPolarHBondContact OD2-CB 3.26Å; D145-R165 WeakPolarHBondContact OD2-CD 3.35Å
146	E	96.3	Very high	93.9	Very high	68 Å²	68	59 Å²	59	32%	0.318	33%	0.326	S	S	.	.			trans	-69.3	126.7	-172.6	-159.7	-70.6	129.2	0	0	111.3	I143 T148 F149 K150	I143-E146 VanDerWaalsContact O-CB 3.24Å; I143-E146 WeakPolarHBondContact O-CB 3.45Å; I143-E146 PolarHBondContact O-N 3.41Å; I143-E146 VanDerWaalsContact O-N 3.07Å; E146-T148 PolarHBondContact O-N 3.34Å; E146-T148 WeakPolarHBondContact OE1-CG2 3.46Å; E146-T148 PolarHBondContact OE1-N 2.82Å; E146-T148 PolarHBondContact OE1-OG1 3.45Å; E146-T148 VanDerWaalsContact OE1-OG1 3.12Å; E146-T148 VanDerWaalsContact OE2-C 3.31Å; E146-T148 WeakPolarHBondContact OE2-CA 3.33Å; E146-T148 WeakPolarHBondContact OE2-CB 3.22Å; E146-T148 PolarHBondContact OE2-N 3.37Å; E146-T148 PolarHBondContact OE2-OG1 2.94Å; E146-F149 HydrophobicContact CB-CB 4.21Å; E146-F149 PolarHBondContact O-N 3.24Å; E146-F149 PolarHBondContact OE2-N 3.36Å; E146-K150 WeakPolarHBondContact O-CG 3.45Å; E146-K150 PolarHBondContact O-N 3.17Å
147	P	96.8	Very high	94	Very high	95 Å²	95	55.8 Å²	55.8	62%	0.617	31%	0.311	S	S	*	.	H	α-helix	trans	-58.3	-41.2	-176.1	-28.1	35.3	0	0	0	115.3	K150 A151	P147-K150 PolarHBondContact O-N 3.09Å; P147-A151 WeakPolarHBondContact O-CB 3.21Å; P147-A151 PolarHBondContact O-N 3.15Å
148	T	97.5	Very high	94.2	Very high	102 Å²	102	60.1 Å²	60.1	63%	0.626	34%	0.337	S	S	*	.	H	α-helix	trans	-70.8	-33.5	-179.4	71.7	0	0	0	0	112.7	E146 A151 L152	E146-T148 PolarHBondContact O-N 3.34Å; E146-T148 WeakPolarHBondContact OE1-CG2 3.46Å; E146-T148 PolarHBondContact OE1-N 2.82Å; E146-T148 PolarHBondContact OE1-OG1 3.45Å; E146-T148 VanDerWaalsContact OE1-OG1 3.12Å; E146-T148 VanDerWaalsContact OE2-C 3.31Å; E146-T148 WeakPolarHBondContact OE2-CA 3.33Å; E146-T148 WeakPolarHBondContact OE2-CB 3.22Å; E146-T148 PolarHBondContact OE2-N 3.37Å; E146-T148 PolarHBondContact OE2-OG1 2.94Å; T148-A151 WeakPolarHBondContact O-CB 3.19Å; T148-A151 PolarHBondContact O-N 2.99Å; T148-L152 WeakPolarHBondContact O-CB 3.5Å; T148-L152 PolarHBondContact O-N 3.45Å
149	F	96.5	Very high	94.1	Very high	23 Å²	23	66.7 Å²	66.7	10%	0.101	36%	0.361	C	S	.	.	H	α-helix	trans	-68.8	-41.1	174.2	-175.1	-110.5	0	0	0	110.9	V130 L133 I143 V144 E146 A151 L152 L153 L162	V130-F149 HydrophobicContact CG1-CE1 4.32Å; V130-F149 HydrophobicContact CG1-CZ 4.35Å; V130-F149 HydrophobicContact CG2-CZ 4.19Å; L133-F149 HydrophobicContact CD2-CE2 3.59Å; L133-F149 HydrophobicContact CD2-CZ 3.68Å; I143-F149 HydrophobicContact CD1-CD2 4.47Å; I143-F149 HydrophobicContact CG1-CD1 4.29Å; I143-F149 HydrophobicContact CG1-CD2 4.33Å; I143-F149 HydrophobicContact CG1-CG 4.13Å; I143-F149 VanDerWaalsContact O-CD1 3.32Å; I143-F149 WeakPolarHBondContact O-CD1 3.44Å; V144-F149 HydrophobicContact CG1-CE1 4.4Å; E146-F149 HydrophobicContact CB-CB 4.21Å; E146-F149 PolarHBondContact O-N 3.24Å; E146-F149 PolarHBondContact OE2-N 3.36Å; F149-A151 VanDerWaalsContact C-N 3.32Å; F149-A151 PolarHBondContact O-N 3.33Å; F149-L152 HydrophobicContact CD2-CD2 4.36Å; F149-L152 WeakPolarHBondContact O-CB 3.27Å; F149-L152 PolarHBondContact O-N 3.33Å; F149-L153 HydrophobicContact CD1-CD1 4Å; F149-L153 HydrophobicContact CE1-CD1 3.55Å; F149-L153 HydrophobicContact CE1-CG 4.5Å; F149-L153 HydrophobicContact CE2-CD1 4.48Å; F149-L153 HydrophobicContact CZ-CD1 3.83Å; F149-L153 HydrophobicContact CZ-CG 4.42Å; F149-L153 WeakPolarHBondContact O-CG 3.31Å; F149-L153 PolarHBondContact O-N 2.85Å; F149-L162 HydrophobicContact CD1-CD2 4.3Å; F149-L162 HydrophobicContact CE1-CD2 4.3Å
150	K	95.3	Very high	94.1	Very high	71 Å²	71	63.2 Å²	63.2	31%	0.309	35%	0.348	S	S	.	.	H	α-helix	trans	-60.9	-42.2	169.7	-71.5	170.3	-178.2	164.5	0	111.6	V144 D145 E146 P147 L153 R154 L162	V144-K150 WeakPolarHBondContact O-CE 3.47Å; D145-K150 WeakPolarHBondContact O-CE 3.31Å; D145-K150 PolarHBondContact O-NZ 3.25Å; E146-K150 WeakPolarHBondContact O-CG 3.45Å; E146-K150 PolarHBondContact O-N 3.17Å; P147-K150 PolarHBondContact O-N 3.09Å; K150-L153 PolarHBondContact O-N 3.08Å; K150-R154 WeakPolarHBondContact O-CB 3.46Å; K150-R154 VanDerWaalsContact O-CG 3.31Å; K150-R154 WeakPolarHBondContact O-CG 3.3Å; K150-R154 PolarHBondContact O-N 3.12Å; K150-L162 HydrophobicContact CG-CD2 4.07Å
151	A	96.3	Very high	94	Very high	46 Å²	46	70.3 Å²	70.3	38%	0.38	38%	0.379	S	S	.	.	H	α-helix	trans	-64.5	-42.3	177.2	0	0	0	0	0	111.7	P147 T148 F149 L153 R154 T155	P147-A151 WeakPolarHBondContact O-CB 3.21Å; P147-A151 PolarHBondContact O-N 3.15Å; T148-A151 WeakPolarHBondContact O-CB 3.19Å; T148-A151 PolarHBondContact O-N 2.99Å; F149-A151 VanDerWaalsContact C-N 3.32Å; F149-A151 PolarHBondContact O-N 3.33Å; A151-L153 PolarHBondContact O-N 3.01Å; A151-R154 PolarHBondContact O-N 3.39Å; A151-T155 PolarHBondContact O-N 3.28Å; A151-T155 PolarHBondContact O-OG1 3.46Å
152	L	96.7	Very high	94.1	Very high	111 Å²	111	71.9 Å²	71.9	58%	0.581	39%	0.386	S	S	*	.	H	α-helix	trans	-55.8	-51	174.7	176	67.2	0	0	0	111.4	T148 F149 R154 T155 A156	T148-L152 WeakPolarHBondContact O-CB 3.5Å; T148-L152 PolarHBondContact O-N 3.45Å; F149-L152 HydrophobicContact CD2-CD2 4.36Å; F149-L152 WeakPolarHBondContact O-CB 3.27Å; F149-L152 PolarHBondContact O-N 3.33Å; L152-R154 PolarHBondContact O-N 3.25Å; L152-T155 WeakPolarHBondContact O-CB 3.33Å; L152-T155 PolarHBondContact O-N 3.24Å; L152-A156 PolarHBondContact O-N 2.67Å
153	L	94.8	Very high	94.3	Very high	19 Å²	19	71 Å²	71	10%	0.099	38%	0.38	C	S	.	.	H	α-helix	trans	-66.4	-36.2	-179.2	-69.9	170.7	0	0	0	112.6	V130 F149 K150 A151 A156 D157 Y160 L162	V130-L153 HydrophobicContact CG2-CD1 4.17Å; V130-L153 HydrophobicContact CG2-CD2 4.43Å; F149-L153 HydrophobicContact CD1-CD1 4Å; F149-L153 HydrophobicContact CE1-CD1 3.55Å; F149-L153 HydrophobicContact CE1-CG 4.5Å; F149-L153 HydrophobicContact CE2-CD1 4.48Å; F149-L153 HydrophobicContact CZ-CD1 3.83Å; F149-L153 HydrophobicContact CZ-CG 4.42Å; F149-L153 WeakPolarHBondContact O-CG 3.31Å; F149-L153 PolarHBondContact O-N 2.85Å; K150-L153 PolarHBondContact O-N 3.08Å; A151-L153 PolarHBondContact O-N 3.01Å; L153-A156 PolarHBondContact O-N 3.03Å; L153-D157 PolarHBondContact O-N 3.38Å; L153-Y160 HydrophobicContact CB-CD1 4.31Å; L153-Y160 HydrophobicContact CD1-CE1 4.22Å; L153-L162 HydrophobicContact CD1-CB 4.5Å; L153-L162 HydrophobicContact CD1-CD1 3.81Å; L153-L162 HydrophobicContact CD1-CD2 3.83Å; L153-L162 HydrophobicContact CD1-CG 4.26Å
154	R	92.6	Very high	94.3	Very high	161 Å²	161	72.7 Å²	72.7	61%	0.608	39%	0.394	S	S	*	.	H	α-helix	trans	-66.9	-35	172.6	-75.1	174.8	179.7	167.5	-0.4	112.7	K150 A151 L152 D157 P158	K150-R154 WeakPolarHBondContact O-CB 3.46Å; K150-R154 VanDerWaalsContact O-CG 3.31Å; K150-R154 WeakPolarHBondContact O-CG 3.3Å; K150-R154 PolarHBondContact O-N 3.12Å; A151-R154 PolarHBondContact O-N 3.39Å; L152-R154 PolarHBondContact O-N 3.25Å; R154-D157 CarbonylContact O-C 3.6Å; R154-D157 VanDerWaalsContact O-C 3.22Å; R154-P158 WeakPolarHBondContact O-CA 3.35Å; R154-P158 VanDerWaalsContact O-CD 3.28Å; R154-P158 WeakPolarHBondContact O-CD 3.33Å; R154-P158 VanDerWaalsContact O-CG 3.32Å; R154-P158 WeakPolarHBondContact O-CG 3.32Å
155	T	95.3	Very high	94.3	Very high	119 Å²	119	77.5 Å²	77.5	73%	0.73	41%	0.412	S	S	*	.	H	α-helix	trans	-68	-39.4	174.1	-60.3	0	0	0	0	110.7	A151 L152	A151-T155 PolarHBondContact O-N 3.28Å; A151-T155 PolarHBondContact O-OG1 3.46Å; L152-T155 WeakPolarHBondContact O-CB 3.33Å; L152-T155 PolarHBondContact O-N 3.24Å
156	A	92.1	Very high	94.2	Very high	64 Å²	64	81.5 Å²	81.5	53%	0.529	43%	0.426	S	S	.	.	H	α-helix	trans	-68.3	-41.8	176.8	0	0	0	0	0	112.8	L152 L153	L152-A156 PolarHBondContact O-N 2.67Å; L153-A156 PolarHBondContact O-N 3.03Å
157	D	91.9	Very high	94.2	Very high	5 Å²	5	81.9 Å²	81.9	3%	0.027	43%	0.425	C	S	.	.			trans	-150	106.9	169.1	-160	-40.5	0	0	0	111.1	K122 L126 L153 R154 R159 Y160	K122-D157 IonicContact NZ-OD2 3.39Å; K122-D157 PolarHBondContact NZ-OD2 3.34Å; L126-D157 HydrophobicContact CD1-CB 4.13Å; L153-D157 PolarHBondContact O-N 3.38Å; R154-D157 CarbonylContact O-C 3.6Å; R154-D157 VanDerWaalsContact O-C 3.22Å; D157-R159 PolarHBondContact O-N 3.21Å; D157-R159 WeakPolarHBondContact OD1-CB 3.25Å; D157-R159 PolarHBondContact OD1-N 3.45Å; D157-R159 VanDerWaalsContact OD1-N 3.1Å; D157-R159 IonicContact OD1-NE 3.24Å; D157-Y160 PolarHBondContact O-N 2.82Å; D157-Y160 VanDerWaalsContact O-N 3.1Å
158	P	90.6	Very high	94.1	Very high	106 Å²	106	77.4 Å²	77.4	69%	0.688	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-16.9	-177.7	-25.7	33.7	0	0	0	114.7	R154	R154-P158 WeakPolarHBondContact O-CA 3.35Å; R154-P158 VanDerWaalsContact O-CD 3.28Å; R154-P158 WeakPolarHBondContact O-CD 3.33Å; R154-P158 VanDerWaalsContact O-CG 3.32Å; R154-P158 WeakPolarHBondContact O-CG 3.32Å
159	R	90.2	Very high	93.9	Very high	137 Å²	137	73.5 Å²	73.5	52%	0.517	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-9.2	-177.2	-59.1	173.1	-64.2	175.6	11.2	112.7	E119 H123 D157 E161	E119-R159 VanDerWaalsContact CD-NH1 3.33Å; E119-R159 IonicContact OE1-CZ 3.42Å; E119-R159 IonicContact OE1-NH1 3.72Å; E119-R159 PolarHBondContact OE1-NH1 3.43Å; E119-R159 IonicContact OE1-NH2 3.41Å; E119-R159 PolarHBondContact OE1-NH2 2.75Å; E119-R159 VanDerWaalsContact OE1-NH2 3.17Å; E119-R159 IonicContact OE2-NH1 3.2Å; H123-R159 PolarHBondContact CE1-O 2.78Å; D157-R159 PolarHBondContact O-N 3.21Å; D157-R159 WeakPolarHBondContact OD1-CB 3.25Å; D157-R159 PolarHBondContact OD1-N 3.45Å; D157-R159 VanDerWaalsContact OD1-N 3.1Å; D157-R159 IonicContact OD1-NE 3.24Å; R159-E161 PolarHBondContact O-N 3.4Å
160	Y	92.4	Very high	93.8	Very high	13 Å²	13	76.9 Å²	76.9	5%	0.051	40%	0.395	C	S	.	.			trans	-75.7	121.6	178.3	174.6	-116.9	0	0	0	110.8	H123 L126 T127 L153 D157 L162 P163	H123-Y160 HydrophobicContact CB-CD2 3.94Å; H123-Y160 HydrophobicContact CB-CE2 4.34Å; H123-Y160 AromaticContact CD2-CD2 4Å; H123-Y160 AromaticContact CG-CD2 3.82Å; L126-Y160 HydrophobicContact CB-CD1 4.49Å; L126-Y160 HydrophobicContact CB-CD2 4.26Å; L126-Y160 HydrophobicContact CB-CE1 4.25Å; L126-Y160 HydrophobicContact CB-CE2 4.03Å; L126-Y160 HydrophobicContact CB-CG 4.48Å; L126-Y160 HydrophobicContact CD1-CD1 4.12Å; L126-Y160 HydrophobicContact CD1-CD2 4.12Å; L126-Y160 HydrophobicContact CD1-CG 3.8Å; T127-Y160 WeakPolarHBondContact CA-OH 3.38Å; T127-Y160 PolarHBondContact OG1-OH 2.92Å; L153-Y160 HydrophobicContact CB-CD1 4.31Å; L153-Y160 HydrophobicContact CD1-CE1 4.22Å; D157-Y160 PolarHBondContact O-N 2.82Å; D157-Y160 VanDerWaalsContact O-N 3.1Å; Y160-L162 HydrophobicContact CE1-CB 4.06Å; Y160-L162 HydrophobicContact CE1-CD1 4.09Å; Y160-P163 WeakPolarHBondContact OH-CD 3.26Å
161	E	89.9	Confident	93.7	Very high	174 Å²	174	78 Å²	78	81%	0.813	40%	0.4	S	S	*	.			trans	-94.3	106.2	171.2	-67.6	-170.2	170.5	0	0	109.9	R159 P163	R159-E161 PolarHBondContact O-N 3.4Å; E161-P163 WeakPolarHBondContact O-CD 3.4Å
162	L	94.4	Very high	93.6	Very high	40 Å²	40	76 Å²	76	21%	0.209	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-62.7	124.6	175.9	178.1	64.1	0	0	0	110.5	V130 V144 F149 K150 L153 Y160 F168	V130-L162 HydrophobicContact CG1-CD1 4.2Å; V130-L162 HydrophobicContact CG2-CD1 4.14Å; V144-L162 HydrophobicContact CB-CD2 3.93Å; V144-L162 HydrophobicContact CB-CG 4.39Å; V144-L162 WeakPolarHBondContact O-CD2 3.35Å; F149-L162 HydrophobicContact CD1-CD2 4.3Å; F149-L162 HydrophobicContact CE1-CD2 4.3Å; K150-L162 HydrophobicContact CG-CD2 4.07Å; L153-L162 HydrophobicContact CD1-CB 4.5Å; L153-L162 HydrophobicContact CD1-CD1 3.81Å; L153-L162 HydrophobicContact CD1-CD2 3.83Å; L153-L162 HydrophobicContact CD1-CG 4.26Å; Y160-L162 HydrophobicContact CE1-CB 4.06Å; Y160-L162 HydrophobicContact CE1-CD1 4.09Å; L162-F168 HydrophobicContact CD1-CE2 4.14Å; L162-F168 HydrophobicContact CD1-CZ 4.16Å
163	P	95	Very high	93.5	Very high	31 Å²	31	70.8 Å²	70.8	20%	0.201	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-59.7	153.2	175	-26.9	36.5	0	0	0	113.1	T127 Y160 E161 Y167 F168	T127-P163 HydrophobicContact CG2-CG 4.09Å; Y160-P163 WeakPolarHBondContact OH-CD 3.26Å; E161-P163 WeakPolarHBondContact O-CD 3.4Å; P163-Y167 HydrophobicContact CB-CD1 3.36Å; P163-Y167 HydrophobicContact CB-CE1 3.95Å; P163-Y167 HydrophobicContact CB-CG 3.8Å; P163-Y167 HydrophobicContact CG-CD1 4.07Å; P163-Y167 HydrophobicContact CG-CE1 4.14Å; P163-F168 HydrophobicContact CB-CD2 4.48Å; P163-F168 HydrophobicContact CB-CE2 3.84Å; P163-F168 HydrophobicContact CB-CZ 4.25Å; P163-F168 HydrophobicContact CG-CE2 4.42Å; P163-F168 HydrophobicContact CG-CZ 4.38Å; P163-F168 VanDerWaalsContact O-CE2 3.3Å; P163-F168 WeakPolarHBondContact O-CE2 3.48Å
164	S	94.9	Very high	93.5	Very high	69 Å²	69	71.2 Å²	71.2	48%	0.483	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-66.7	155.2	179.4	68.6	0	0	0	0	112.8	K166 Y167 F168	S164-K166 PolarHBondContact O-N 3.41Å; S164-K166 VanDerWaalsContact O-N 3.12Å; S164-Y167 WeakPolarHBondContact O-CA 3.28Å; S164-Y167 VanDerWaalsContact O-CB 3.29Å; S164-Y167 WeakPolarHBondContact O-CB 3.35Å; S164-Y167 PolarHBondContact O-N 3.36Å; S164-Y167 PolarHBondContact OG-N 3.01Å; S164-F168 WeakPolarHBondContact O-CD2 3.29Å; S164-F168 PolarHBondContact O-N 2.87Å
165	R	95.1	Very high	93.7	Very high	103 Å²	103	68.7 Å²	68.7	39%	0.389	36%	0.355	S	S	.	.	H	α-helix	trans	-49.4	-38.8	169.4	179.5	179.6	174	-175.9	1.2	113.1	A141 V144 D145 Y167 F168 C169	A141-R165 HydrophobicContact CB-CG 4.43Å; V144-R165 HydrophobicContact CG2-CB 3.76Å; D145-R165 WeakPolarHBondContact OD2-CB 3.26Å; D145-R165 WeakPolarHBondContact OD2-CD 3.35Å; R165-Y167 VanDerWaalsContact C-N 3.31Å; R165-Y167 PolarHBondContact O-N 3.22Å; R165-F168 PolarHBondContact O-N 3.07Å; R165-C169 PolarHBondContact O-N 3.48Å; R165-C169 PolarHBondContact O-SG 3.2Å
166	K	94.9	Very high	93.7	Very high	154 Å²	154	65.1 Å²	65.1	67%	0.67	33%	0.33	S	S	*	.	H	α-helix	trans	-58.7	-42.4	176.5	-176.3	177.4	178.7	178.9	0	111.7	S164 T170	S164-K166 PolarHBondContact O-N 3.41Å; S164-K166 VanDerWaalsContact O-N 3.12Å; K166-T170 HydrophobicContact CG-CG2 4.21Å; K166-T170 WeakPolarHBondContact O-CB 3.43Å; K166-T170 WeakPolarHBondContact O-CG2 3.27Å; K166-T170 PolarHBondContact O-N 3.5Å; K166-T170 PolarHBondContact O-OG1 2.92Å
167	Y	95.4	Very high	93.9	Very high	77 Å²	77	63.2 Å²	63.2	30%	0.302	31%	0.309	S	S	.	.	H	α-helix	trans	-60.4	-46.2	175.9	169.2	-91.8	0	0	0	111.3	T127 P163 S164 R165 K171 A172	T127-Y167 HydrophobicContact CG2-CE1 4.34Å; P163-Y167 HydrophobicContact CB-CD1 3.36Å; P163-Y167 HydrophobicContact CB-CE1 3.95Å; P163-Y167 HydrophobicContact CB-CG 3.8Å; P163-Y167 HydrophobicContact CG-CD1 4.07Å; P163-Y167 HydrophobicContact CG-CE1 4.14Å; S164-Y167 WeakPolarHBondContact O-CA 3.28Å; S164-Y167 VanDerWaalsContact O-CB 3.29Å; S164-Y167 WeakPolarHBondContact O-CB 3.35Å; S164-Y167 PolarHBondContact O-N 3.36Å; S164-Y167 PolarHBondContact OG-N 3.01Å; R165-Y167 VanDerWaalsContact C-N 3.31Å; R165-Y167 PolarHBondContact O-N 3.22Å; Y167-K171 HydrophobicContact CD2-CB 4.5Å; Y167-K171 HydrophobicContact CD2-CD 4.23Å; Y167-K171 HydrophobicContact CE2-CD 3.81Å; Y167-K171 WeakPolarHBondContact O-CB 3.32Å; Y167-K171 PolarHBondContact O-N 3.4Å; Y167-A172 HydrophobicContact CD1-CB 4.25Å; Y167-A172 HydrophobicContact CE1-CB 3.76Å; Y167-A172 PolarHBondContact O-N 3.42Å; Y167-A172 VanDerWaalsContact O-N 3.11Å
168	F	94.8	Very high	94.1	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.33	C	S	.	.	I	π-helix	trans	-63.3	-50.1	179.1	-71.8	-79.4	0	0	0	112.3	V130 I131 I134 V144 L162 P163 S164 R165 A172 I173	V130-F168 HydrophobicContact CB-CE1 4.27Å; V130-F168 HydrophobicContact CB-CZ 4.14Å; V130-F168 HydrophobicContact CG1-CE1 3.77Å; V130-F168 HydrophobicContact CG1-CE2 4.33Å; V130-F168 HydrophobicContact CG1-CZ 3.54Å; I131-F168 HydrophobicContact CG1-CD1 4.03Å; I131-F168 HydrophobicContact CG1-CE1 3.72Å; I134-F168 HydrophobicContact CD1-CB 4.48Å; I134-F168 HydrophobicContact CD1-CD1 3.87Å; I134-F168 HydrophobicContact CD1-CE1 4.25Å; I134-F168 HydrophobicContact CD1-CG 4.12Å; V144-F168 HydrophobicContact CB-CD2 4.36Å; V144-F168 HydrophobicContact CB-CE2 4.21Å; V144-F168 HydrophobicContact CG1-CD2 3.86Å; V144-F168 HydrophobicContact CG1-CE2 3.71Å; V144-F168 HydrophobicContact CG1-CZ 4.28Å; V144-F168 HydrophobicContact CG2-CD2 4.05Å; V144-F168 HydrophobicContact CG2-CE2 4.33Å; L162-F168 HydrophobicContact CD1-CE2 4.14Å; L162-F168 HydrophobicContact CD1-CZ 4.16Å; P163-F168 HydrophobicContact CB-CD2 4.48Å; P163-F168 HydrophobicContact CB-CE2 3.84Å; P163-F168 HydrophobicContact CB-CZ 4.25Å; P163-F168 HydrophobicContact CG-CE2 4.42Å; P163-F168 HydrophobicContact CG-CZ 4.38Å; P163-F168 VanDerWaalsContact O-CE2 3.3Å; P163-F168 WeakPolarHBondContact O-CE2 3.48Å; S164-F168 WeakPolarHBondContact O-CD2 3.29Å; S164-F168 PolarHBondContact O-N 2.87Å; R165-F168 PolarHBondContact O-N 3.07Å; F168-A172 HydrophobicContact CD1-CB 4.11Å; F168-A172 PolarHBondContact O-N 2.67Å; F168-I173 WeakPolarHBondContact O-CB 3.41Å; F168-I173 WeakPolarHBondContact O-CG1 3.47Å; F168-I173 PolarHBondContact O-N 3.23Å
169	C	93.6	Very high	94.4	Very high	20 Å²	20	64.6 Å²	64.6	14%	0.135	32%	0.318	C	S	.	.	I	π-helix	trans	-69.2	-35.2	-177	-67	0	0	0	0	114	A141 R165	A141-C169 VanDerWaalsContact CB-SG 3.53Å; R165-C169 PolarHBondContact O-N 3.48Å; R165-C169 PolarHBondContact O-SG 3.2Å
170	T	93.3	Very high	94.7	Very high	95 Å²	95	59.7 Å²	59.7	58%	0.583	30%	0.302	S	S	*	.	I	π-helix	trans	-101	-10.6	-172	64.3	0	0	0	0	114.1	K166	K166-T170 HydrophobicContact CG-CG2 4.21Å; K166-T170 WeakPolarHBondContact O-CB 3.43Å; K166-T170 WeakPolarHBondContact O-CG2 3.27Å; K166-T170 PolarHBondContact O-N 3.5Å; K166-T170 PolarHBondContact O-OG1 2.92Å
171	K	94.4	Very high	94.9	Very high	94 Å²	94	61 Å²	61	41%	0.409	31%	0.307	S	S	.	.	I	π-helix	trans	-135.6	-64.5	-176.9	-171.6	-180	176.1	-171.1	0	112.6	Y167 I173 P174 E175	Y167-K171 HydrophobicContact CD2-CB 4.5Å; Y167-K171 HydrophobicContact CD2-CD 4.23Å; Y167-K171 HydrophobicContact CE2-CD 3.81Å; Y167-K171 WeakPolarHBondContact O-CB 3.32Å; Y167-K171 PolarHBondContact O-N 3.4Å; K171-I173 PolarHBondContact O-N 2.87Å; K171-P174 WeakPolarHBondContact O-CD 3.37Å; K171-E175 WeakPolarHBondContact CE-OE1 3.43Å; K171-E175 HydrophobicContact CG-CG 4.35Å; K171-E175 VanDerWaalsContact CG-OE1 3.29Å; K171-E175 WeakPolarHBondContact CG-OE1 3.37Å; K171-E175 VanDerWaalsContact O-CB 3.32Å; K171-E175 WeakPolarHBondContact O-CB 3.47Å; K171-E175 VanDerWaalsContact O-CG 3.27Å; K171-E175 WeakPolarHBondContact O-CG 3.39Å; K171-E175 PolarHBondContact O-N 3.19Å
172	A	94.2	Very high	95.2	Very high	4 Å²	4	57.9 Å²	57.9	3%	0.033	29%	0.292	C	S	.	.	I	π-helix	trans	-65.9	-44.6	-167	0	0	0	0	0	113.8	I131 Y167 F168 K176	I131-A172 HydrophobicContact CD1-CB 3.83Å; I131-A172 HydrophobicContact CG1-CB 4.07Å; Y167-A172 HydrophobicContact CD1-CB 4.25Å; Y167-A172 HydrophobicContact CE1-CB 3.76Å; Y167-A172 PolarHBondContact O-N 3.42Å; Y167-A172 VanDerWaalsContact O-N 3.11Å; F168-A172 HydrophobicContact CD1-CB 4.11Å; F168-A172 PolarHBondContact O-N 2.67Å; A172-K176 PolarHBondContact O-N 3.23Å; A172-K176 VanDerWaalsContact O-N 3.07Å
173	I	94.1	Very high	95.2	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-67.1	-50.2	177.5	-65	167.4	0	0	0	110.5	I134 A141 F168 K171 E175 K176 Y177 E642 L646	I134-I173 HydrophobicContact CG2-CD1 3.79Å; I134-I173 HydrophobicContact CG2-CG1 4.37Å; A141-I173 HydrophobicContact CB-CD1 4.23Å; F168-I173 WeakPolarHBondContact O-CB 3.41Å; F168-I173 WeakPolarHBondContact O-CG1 3.47Å; F168-I173 PolarHBondContact O-N 3.23Å; K171-I173 PolarHBondContact O-N 2.87Å; I173-E175 VanDerWaalsContact C-N 3.34Å; I173-E175 PolarHBondContact O-N 2.82Å; I173-K176 PolarHBondContact O-N 3.09Å; I173-Y177 WeakPolarHBondContact O-CB 3.42Å; I173-Y177 PolarHBondContact O-N 2.89Å; I173-E642 HydrophobicContact CG2-CB 4.47Å; I173-L646 HydrophobicContact CG2-CD1 3.88Å
174	P	95.6	Very high	95.2	Very high	28 Å²	28	58.9 Å²	58.9	18%	0.182	30%	0.295	C	S	.	.	H	α-helix	trans	-57.2	-39.8	174.3	-29.2	35.4	0	0	0	114.6	K171 Y177 N178	K171-P174 WeakPolarHBondContact O-CD 3.37Å; P174-Y177 PolarHBondContact O-N 2.86Å; P174-N178 WeakPolarHBondContact O-CB 3.46Å; P174-N178 VanDerWaalsContact O-CG 3.31Å; P174-N178 PolarHBondContact O-N 3.11Å; P174-N178 PolarHBondContact O-ND2 3.33Å
175	E	95.8	Very high	95.3	Very high	108 Å²	108	57.9 Å²	57.9	51%	0.505	28%	0.284	S	S	.	.	H	α-helix	trans	-63.3	-44.4	176.3	-77.4	174.4	173.8	0	0	111.4	K171 I173 A179	K171-E175 WeakPolarHBondContact CE-OE1 3.43Å; K171-E175 HydrophobicContact CG-CG 4.35Å; K171-E175 VanDerWaalsContact CG-OE1 3.29Å; K171-E175 WeakPolarHBondContact CG-OE1 3.37Å; K171-E175 VanDerWaalsContact O-CB 3.32Å; K171-E175 WeakPolarHBondContact O-CB 3.47Å; K171-E175 VanDerWaalsContact O-CG 3.27Å; K171-E175 WeakPolarHBondContact O-CG 3.39Å; K171-E175 PolarHBondContact O-N 3.19Å; I173-E175 VanDerWaalsContact C-N 3.34Å; I173-E175 PolarHBondContact O-N 2.82Å; E175-A179 WeakPolarHBondContact O-CB 3.33Å; E175-A179 PolarHBondContact O-N 2.99Å
176	K	94.8	Very high	95.2	Very high	43 Å²	43	60.2 Å²	60.2	19%	0.187	30%	0.297	C	S	.	.	H	α-helix	trans	-65.5	-42.2	175.3	-168.2	169.8	177.5	173.3	0	111.3	I131 S132 C135 E136 A172 I173 A179 I180 L646	I131-K176 HydrophobicContact CG2-CD 3.55Å; S132-K176 PolarHBondContact OG-NZ 3.31Å; C135-K176 HydrophobicContact CB-CD 4.46Å; E136-K176 IonicContact OE1-NZ 2.62Å; E136-K176 PolarHBondContact OE1-NZ 3Å; A172-K176 PolarHBondContact O-N 3.23Å; A172-K176 VanDerWaalsContact O-N 3.07Å; I173-K176 PolarHBondContact O-N 3.09Å; K176-A179 PolarHBondContact O-N 2.89Å; K176-I180 WeakPolarHBondContact O-CG1 3.42Å; K176-I180 PolarHBondContact O-N 3.24Å; K176-L646 HydrophobicContact CB-CD1 4.47Å; K176-L646 HydrophobicContact CB-CD2 4.35Å; K176-L646 HydrophobicContact CG-CD2 3.88Å
177	Y	96	Very high	95.1	Very high	25 Å²	25	55.6 Å²	55.6	10%	0.098	28%	0.278	C	S	.	.	H	α-helix	trans	-56.3	-52.4	176.2	174.2	-90.6	0	0	0	110.9	I173 P174 A179 I180 R181 E642 F645	I173-Y177 WeakPolarHBondContact O-CB 3.42Å; I173-Y177 PolarHBondContact O-N 2.89Å; P174-Y177 PolarHBondContact O-N 2.86Å; Y177-A179 VanDerWaalsContact C-N 3.34Å; Y177-A179 PolarHBondContact O-N 3.01Å; Y177-I180 PolarHBondContact O-N 3.47Å; Y177-R181 HydrophobicContact CE1-CB 4.44Å; Y177-R181 VanDerWaalsContact O-CB 3.23Å; Y177-R181 WeakPolarHBondContact O-CB 3.23Å; Y177-R181 PolarHBondContact O-N 3.39Å; Y177-E642 HydrophobicContact CD2-CB 4.04Å; Y177-E642 HydrophobicContact CD2-CG 4.03Å; Y177-E642 HydrophobicContact CE2-CG 4.31Å; Y177-E642 HydrophobicContact CG-CG 4.29Å; Y177-F645 HydrophobicContact CD2-CB 4.15Å; Y177-F645 AromaticContact CD2-CD1 3.33Å; Y177-F645 HydrophobicContact CD2-CD1 3.33Å; Y177-F645 AromaticContact CD2-CE1 3.93Å; Y177-F645 HydrophobicContact CD2-CE1 3.93Å; Y177-F645 AromaticContact CD2-CG 3.86Å; Y177-F645 HydrophobicContact CD2-CG 3.86Å; Y177-F645 HydrophobicContact CE2-CB 3.78Å; Y177-F645 AromaticContact CE2-CD1 3.37Å; Y177-F645 HydrophobicContact CE2-CD1 3.37Å; Y177-F645 HydrophobicContact CE2-CD2 4.05Å; Y177-F645 AromaticContact CE2-CE1 3.95Å; Y177-F645 HydrophobicContact CE2-CE1 3.95Å; Y177-F645 AromaticContact CE2-CG 3.44Å; Y177-F645 HydrophobicContact CE2-CG 3.44Å; Y177-F645 VanDerWaalsContact CE2-CG 3.44Å; Y177-F645 HydrophobicContact CG-CD1 4.37Å
178	N	97	Very high	95	Very high	86 Å²	86	52 Å²	52	46%	0.46	26%	0.264	S	S	.	.	H	α-helix	trans	-61.8	-41.3	179.4	-71.8	-41.5	0	0	0	112.2	P174 I180 R181 E182	P174-N178 WeakPolarHBondContact O-CB 3.46Å; P174-N178 VanDerWaalsContact O-CG 3.31Å; P174-N178 PolarHBondContact O-N 3.11Å; P174-N178 PolarHBondContact O-ND2 3.33Å; N178-I180 PolarHBondContact O-N 3.42Å; N178-R181 PolarHBondContact O-N 2.94Å; N178-E182 WeakPolarHBondContact O-CG 3.07Å; N178-E182 PolarHBondContact O-N 3.4Å
179	A	96.3	Very high	94.8	Very high	54 Å²	54	56.3 Å²	56.3	45%	0.446	29%	0.29	S	S	.	.	H	α-helix	trans	-60.5	-45.5	177.6	0	0	0	0	0	112.2	E175 K176 Y177 I183	E175-A179 WeakPolarHBondContact O-CB 3.33Å; E175-A179 PolarHBondContact O-N 2.99Å; K176-A179 PolarHBondContact O-N 2.89Å; Y177-A179 VanDerWaalsContact C-N 3.34Å; Y177-A179 PolarHBondContact O-N 3.01Å; A179-I183 WeakPolarHBondContact O-CG1 3.46Å; A179-I183 PolarHBondContact O-N 3.33Å
180	I	96.2	Very high	94.4	Very high	33 Å²	33	63 Å²	63	17%	0.169	32%	0.32	C	S	.	.	H	α-helix	trans	-70.4	-38.7	177.5	-61	-57.9	0	0	0	111.3	K176 Y177 N178 E182 I183 V184 F645 L646 N649 T650	K176-I180 WeakPolarHBondContact O-CG1 3.42Å; K176-I180 PolarHBondContact O-N 3.24Å; Y177-I180 PolarHBondContact O-N 3.47Å; N178-I180 PolarHBondContact O-N 3.42Å; I180-E182 VanDerWaalsContact C-N 3.32Å; I180-E182 PolarHBondContact O-N 3.42Å; I180-I183 HydrophobicContact CD1-CD1 4.21Å; I180-I183 WeakPolarHBondContact O-CB 3.27Å; I180-I183 PolarHBondContact O-N 3Å; I180-I183 VanDerWaalsContact O-N 3.11Å; I180-V184 HydrophobicContact CG2-CG2 4.37Å; I180-V184 WeakPolarHBondContact O-CG2 3.31Å; I180-V184 PolarHBondContact O-N 3.35Å; I180-F645 HydrophobicContact CB-CE1 4.04Å; I180-F645 HydrophobicContact CG2-CE1 3.73Å; I180-F645 HydrophobicContact CG2-CZ 4.16Å; I180-L646 HydrophobicContact CB-CD2 4.26Å; I180-L646 HydrophobicContact CG1-CD2 3.92Å; I180-N649 HydrophobicContact CG2-CB 3.71Å; I180-T650 HydrophobicContact CD1-CG2 3.99Å; I180-T650 HydrophobicContact CG1-CG2 3.89Å
181	R	96.9	Very high	94.3	Very high	42 Å²	42	59.1 Å²	59.1	16%	0.158	30%	0.295	C	S	.	.	H	α-helix	trans	-56.3	-45.1	175.9	-175.5	-177.2	-179.9	-71.2	-3.4	111.9	Y177 N178 I183 V184 L185 E257 W258 F645	Y177-R181 HydrophobicContact CE1-CB 4.44Å; Y177-R181 VanDerWaalsContact O-CB 3.23Å; Y177-R181 WeakPolarHBondContact O-CB 3.23Å; Y177-R181 PolarHBondContact O-N 3.39Å; N178-R181 PolarHBondContact O-N 2.94Å; R181-I183 VanDerWaalsContact C-N 3.32Å; R181-I183 PolarHBondContact O-N 2.98Å; R181-V184 PolarHBondContact O-N 3.5Å; R181-L185 WeakPolarHBondContact O-CB 3.11Å; R181-L185 PolarHBondContact O-N 2.88Å; R181-E257 IonicContact CZ-OE1 3.36Å; R181-E257 IonicContact NE-OE1 2.75Å; R181-E257 PolarHBondContact NE-OE1 3.01Å; R181-E257 VanDerWaalsContact NH2-CG 3.3Å; R181-E257 IonicContact NH2-OE1 3.01Å; R181-E257 PolarHBondContact NH2-OE1 3.49Å; R181-W258 HydrophobicContact CB-CH2 4.33Å; R181-W258 HydrophobicContact CG-CH2 3.59Å; R181-W258 HydrophobicContact CG-CZ2 4.18Å; R181-W258 HydrophobicContact CG-CZ3 4.1Å; R181-F645 HydrophobicContact CB-CE1 4.41Å; R181-F645 HydrophobicContact CB-CZ 4.16Å
182	E	96.7	Very high	94	Very high	108 Å²	108	59.8 Å²	59.8	51%	0.505	30%	0.303	S	S	.	.	H	α-helix	trans	-64.2	-35.9	176.9	-69.6	-56.3	125.9	0	0	112.7	N178 I180 K186	N178-E182 WeakPolarHBondContact O-CG 3.07Å; N178-E182 PolarHBondContact O-N 3.4Å; I180-E182 VanDerWaalsContact C-N 3.32Å; I180-E182 PolarHBondContact O-N 3.42Å; E182-K186 WeakPolarHBondContact O-CB 3.45Å; E182-K186 PolarHBondContact O-N 3.46Å
183	I	94.8	Very high	93.9	Very high	91 Å²	91	61.4 Å²	61.4	47%	0.467	31%	0.308	S	S	.	.	H	α-helix	trans	-63.2	-50.2	174.6	-65.8	167.8	0	0	0	110.1	A179 I180 R181 L185 K186 E187	A179-I183 WeakPolarHBondContact O-CG1 3.46Å; A179-I183 PolarHBondContact O-N 3.33Å; I180-I183 HydrophobicContact CD1-CD1 4.21Å; I180-I183 WeakPolarHBondContact O-CB 3.27Å; I180-I183 PolarHBondContact O-N 3Å; I180-I183 VanDerWaalsContact O-N 3.11Å; R181-I183 VanDerWaalsContact C-N 3.32Å; R181-I183 PolarHBondContact O-N 2.98Å; I183-L185 VanDerWaalsContact C-N 3.34Å; I183-L185 PolarHBondContact O-N 2.92Å; I183-K186 WeakPolarHBondContact O-CB 3.26Å; I183-K186 PolarHBondContact O-N 3.36Å; I183-E187 WeakPolarHBondContact O-CG 3.17Å; I183-E187 PolarHBondContact O-N 3.18Å
184	V	95.4	Very high	94	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.006	31%	0.308	C	S	.	.	H	α-helix	trans	-62.5	-42.4	179.2	176.4	0	0	0	0	111	I180 R181 K186 E187 L188 R231 L233 W258 F645	I180-V184 HydrophobicContact CG2-CG2 4.37Å; I180-V184 WeakPolarHBondContact O-CG2 3.31Å; I180-V184 PolarHBondContact O-N 3.35Å; R181-V184 PolarHBondContact O-N 3.5Å; V184-K186 VanDerWaalsContact C-N 3.29Å; V184-K186 PolarHBondContact O-N 3.47Å; V184-E187 PolarHBondContact O-N 3Å; V184-L188 HydrophobicContact CG1-CD1 3.97Å; V184-L188 HydrophobicContact CG1-CG 4.35Å; V184-L188 WeakPolarHBondContact O-CG 3.07Å; V184-L188 PolarHBondContact O-N 2.87Å; V184-R231 HydrophobicContact CG1-CB 3.82Å; V184-R231 HydrophobicContact CG1-CG 3.95Å; V184-R231 HydrophobicContact CG2-CB 4.37Å; V184-R231 HydrophobicContact CG2-CG 4.13Å; V184-L233 HydrophobicContact CG1-CD2 4.14Å; V184-W258 HydrophobicContact CB-CH2 4.08Å; V184-W258 HydrophobicContact CB-CZ3 3.7Å; V184-W258 HydrophobicContact CG1-CE3 4.09Å; V184-W258 HydrophobicContact CG1-CH2 3.92Å; V184-W258 HydrophobicContact CG1-CZ3 3.44Å; V184-W258 VanDerWaalsContact CG1-CZ3 3.44Å; V184-F645 HydrophobicContact CG2-CZ 4.39Å
185	L	95.6	Very high	94.1	Very high	48 Å²	48	60 Å²	60	25%	0.251	30%	0.299	S	S	.	.	H	α-helix	trans	-58.9	-44.6	177.9	-169.5	72.9	0	0	0	110.7	R181 I183 L188 T189 W258	R181-L185 WeakPolarHBondContact O-CB 3.11Å; R181-L185 PolarHBondContact O-N 2.88Å; I183-L185 VanDerWaalsContact C-N 3.34Å; I183-L185 PolarHBondContact O-N 2.92Å; L185-L188 PolarHBondContact O-N 2.92Å; L185-T189 WeakPolarHBondContact O-CG2 3.48Å; L185-T189 PolarHBondContact O-N 3.36Å; L185-W258 HydrophobicContact CB-CZ3 4.34Å; L185-W258 HydrophobicContact CD1-CE3 4.05Å
186	K	93.7	Very high	94.2	Very high	152 Å²	152	54.8 Å²	54.8	66%	0.661	28%	0.275	S	S	*	.	H	α-helix	trans	-60.8	-47	176.4	-173.5	-178	177.2	-174.3	0	111.7	E182 I183 V184 L188 T189	E182-K186 WeakPolarHBondContact O-CB 3.45Å; E182-K186 PolarHBondContact O-N 3.46Å; I183-K186 WeakPolarHBondContact O-CB 3.26Å; I183-K186 PolarHBondContact O-N 3.36Å; V184-K186 VanDerWaalsContact C-N 3.29Å; V184-K186 PolarHBondContact O-N 3.47Å; K186-L188 VanDerWaalsContact C-N 3.27Å; K186-L188 PolarHBondContact O-N 3.46Å; K186-T189 PolarHBondContact O-N 2.65Å; K186-T189 PolarHBondContact O-OG1 3.09Å
187	E	92.5	Very high	94.3	Very high	56 Å²	56	53 Å²	53	26%	0.262	27%	0.267	S	S	.	.	H	α-helix	trans	-56.1	-42.7	176.9	-69.7	176.3	169.9	0	0	111.6	I183 V184 T189 F217 R231	I183-E187 WeakPolarHBondContact O-CG 3.17Å; I183-E187 PolarHBondContact O-N 3.18Å; V184-E187 PolarHBondContact O-N 3Å; E187-T189 VanDerWaalsContact C-N 3.31Å; E187-T189 PolarHBondContact O-N 2.87Å; E187-F217 HydrophobicContact CB-CZ 4.11Å; E187-R231 IonicContact OE1-CZ 3.54Å; E187-R231 IonicContact OE1-NE 2.76Å; E187-R231 IonicContact OE1-NH2 3.4Å; E187-R231 PolarHBondContact OE1-NH2 3.49Å; E187-R231 IonicContact OE2-CZ 2.82Å; E187-R231 IonicContact OE2-NE 3.86Å; E187-R231 PolarHBondContact OE2-NE 3.24Å; E187-R231 IonicContact OE2-NH2 2.78Å; E187-R231 PolarHBondContact OE2-NH2 3.47Å
188	L	94.1	Very high	94.3	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-72.8	-17.9	-177.2	-65.7	176.1	0	0	0	114.3	V184 L185 K186 E190 V191 V215 F217 L233 W258 I260 K263	V184-L188 HydrophobicContact CG1-CD1 3.97Å; V184-L188 HydrophobicContact CG1-CG 4.35Å; V184-L188 WeakPolarHBondContact O-CG 3.07Å; V184-L188 PolarHBondContact O-N 2.87Å; L185-L188 PolarHBondContact O-N 2.92Å; K186-L188 VanDerWaalsContact C-N 3.27Å; K186-L188 PolarHBondContact O-N 3.46Å; L188-E190 VanDerWaalsContact C-N 3.33Å; L188-E190 PolarHBondContact O-N 3.37Å; L188-V191 HydrophobicContact CD2-CG2 4.33Å; L188-V191 PolarHBondContact O-N 3.44Å; L188-V215 HydrophobicContact CD1-CG1 4.2Å; L188-V215 HydrophobicContact CD2-CG1 3.83Å; L188-V215 HydrophobicContact CD2-CG2 4.19Å; L188-F217 HydrophobicContact CD2-CD1 3.75Å; L188-F217 HydrophobicContact CD2-CE1 3.46Å; L188-F217 VanDerWaalsContact CD2-CE1 3.46Å; L188-F217 HydrophobicContact CD2-CZ 4.16Å; L188-L233 HydrophobicContact CD1-CD2 4.1Å; L188-W258 HydrophobicContact CD1-CB 4.23Å; L188-W258 HydrophobicContact CD1-CD2 4.43Å; L188-W258 HydrophobicContact CD1-CE3 3.85Å; L188-I260 HydrophobicContact CB-CG2 4.35Å; L188-I260 HydrophobicContact CD1-CG2 4.14Å; L188-I260 HydrophobicContact CD2-CG2 4.45Å; L188-K263 PolarHBondContact O-NZ 2.9Å
189	T	91	Very high	94.1	Very high	91 Å²	91	48.2 Å²	48.2	56%	0.558	24%	0.244	S	C	*	.	H	α-helix	trans	-62.4	-40.8	177.9	59.4	0	0	0	0	112.4	L185 K186 E187 V191 K263	L185-T189 WeakPolarHBondContact O-CG2 3.48Å; L185-T189 PolarHBondContact O-N 3.36Å; K186-T189 PolarHBondContact O-N 2.65Å; K186-T189 PolarHBondContact O-OG1 3.09Å; E187-T189 VanDerWaalsContact C-N 3.31Å; E187-T189 PolarHBondContact O-N 2.87Å; T189-V191 VanDerWaalsContact C-N 3.32Å; T189-V191 PolarHBondContact O-N 3.34Å; T189-K263 PolarHBondContact O-NZ 3.48Å
190	E	84.3	Confident	93.8	Very high	161 Å²	161	49.2 Å²	49.2	75%	0.752	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-8	-175.3	-62.2	-179.6	-178.4	0	0	113.3	L188	L188-E190 VanDerWaalsContact C-N 3.33Å; L188-E190 PolarHBondContact O-N 3.37Å
191	V	90.1	Very high	93.5	Very high	12 Å²	12	48.9 Å²	48.9	7%	0.073	24%	0.238	C	C	.	.			trans	-72.5	130.7	-178.8	175.9	0	0	0	0	110.9	L188 T189 W193 C194 F217 K263	L188-V191 HydrophobicContact CD2-CG2 4.33Å; L188-V191 PolarHBondContact O-N 3.44Å; T189-V191 VanDerWaalsContact C-N 3.32Å; T189-V191 PolarHBondContact O-N 3.34Å; V191-W193 WeakPolarHBondContact CG1-O 3.33Å; V191-C194 HydrophobicContact CG1-CB 4.12Å; V191-F217 HydrophobicContact CG1-CB 3.69Å; V191-F217 HydrophobicContact CG1-CG 4.18Å; V191-F217 HydrophobicContact CG2-CB 3.99Å; V191-F217 HydrophobicContact CG2-CD1 4.15Å; V191-F217 HydrophobicContact CG2-CD2 3.35Å; V191-F217 HydrophobicContact CG2-CE2 3.75Å; V191-F217 HydrophobicContact CG2-CG 3.57Å; V191-F217 HydrophobicContact CG2-CZ 4.31Å; V191-K263 VanDerWaalsContact O-CD 3.28Å; V191-K263 WeakPolarHBondContact O-CD 3.44Å; V191-K263 VanDerWaalsContact O-CE 3.3Å; V191-K263 WeakPolarHBondContact O-CE 3.29Å; V191-K263 PolarHBondContact O-NZ 2.94Å
192	L	88.6	Confident	93.1	Very high	109 Å²	109	51.8 Å²	51.8	57%	0.571	25%	0.249	S	C	*	.	S	Bend	trans	-83.5	-46.2	173.2	-69.7	168.7	0	0	0	111.9
193	W	92.8	Very high	92.8	Very high	37 Å²	37	46.7 Å²	46.7	14%	0.14	23%	0.225	C	C	.	.			trans	-136.6	140	-177.2	-60.7	104.8	0	0	0	109.8	V191 F265 L504 K606	V191-W193 WeakPolarHBondContact CG1-O 3.33Å; W193-F265 HydrophobicContact CE3-CB 3.88Å; W193-F265 HydrophobicContact CE3-CD2 4.2Å; W193-F265 HydrophobicContact CE3-CG 4.23Å; W193-F265 HydrophobicContact CZ3-CB 4.39Å; W193-F265 AromaticContact CZ3-CD2 3.93Å; W193-F265 HydrophobicContact CZ3-CD2 3.93Å; W193-F265 HydrophobicContact CZ3-CG 4.43Å; W193-L504 HydrophobicContact CZ2-CD2 4.06Å; W193-K606 HydrophobicContact CB-CB 4.39Å; W193-K606 HydrophobicContact CD2-CB 4.34Å; W193-K606 HydrophobicContact CD2-CD 4.26Å; W193-K606 HydrophobicContact CD2-CG 3.95Å; W193-K606 HydrophobicContact CE3-CG 4.46Å; W193-K606 HydrophobicContact CG-CB 3.91Å; W193-K606 HydrophobicContact CG-CG 4Å; W193-K606 HydrophobicContact CZ2-CD 4.07Å
194	C	96.4	Very high	92.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.8	172.2	62.6	0	0	0	0	111	V191 V215 H216 F217 K263 V264 F265	V191-C194 HydrophobicContact CG1-CB 4.12Å; C194-V215 HydrophobicContact CB-CG2 3.53Å; C194-H216 CarbonylContact C-O 3.49Å; C194-H216 WeakPolarHBondContact CA-O 3.18Å; C194-H216 WeakPolarHBondContact CB-O 3.31Å; C194-F217 HydrophobicContact CB-CB 4.26Å; C194-K263 PolarHBondContact N-O 3.2Å; C194-V264 CarbonylContact O-C 3.49Å; C194-V264 WeakPolarHBondContact O-CA 3.12Å; C194-F265 PolarHBondContact O-N 2.97Å
195	G	96.9	Very high	91.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	160.9	159.7	0	0	0	0	0	109.2	V215 H216 G266 C609	G195-V215 CarbonylContact O-C 3.22Å; G195-V215 WeakPolarHBondContact O-CA 3.38Å; G195-H216 PolarHBondContact N-O 2.81Å; G195-H216 PolarHBondContact O-N 2.82Å; G195-G266 CarbonylContact C-O 2.96Å; G195-G266 VanDerWaalsContact CA-O 3.24Å; G195-G266 WeakPolarHBondContact CA-O 3.37Å; G195-C609 VanDerWaalsContact CA-O 3.29Å; G195-C609 WeakPolarHBondContact CA-O 3.39Å; G195-C609 PolarHBondContact N-O 3.35Å; G195-C609 PolarHBondContact N-SG 3.05Å; G195-C609 VanDerWaalsContact N-SG 3.39Å
196	I	97.6	Very high	90.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	160.7	166.1	66.2	174	0	0	0	110	A214 L251 F255 V264 G266 A267 T268 I284	I196-A214 CarbonylContact C-O 3.32Å; I196-A214 WeakPolarHBondContact CA-O 3.3Å; I196-A214 WeakPolarHBondContact CB-O 3.43Å; I196-L251 HydrophobicContact CD1-CD2 4.39Å; I196-F255 HydrophobicContact CD1-CE1 3.81Å; I196-F255 HydrophobicContact CD1-CZ 3.56Å; I196-F255 HydrophobicContact CG2-CE1 4.16Å; I196-V264 HydrophobicContact CG1-CG1 4.44Å; I196-V264 HydrophobicContact CG2-CG1 4.24Å; I196-V264 HydrophobicContact CG2-CG2 3.98Å; I196-G266 PolarHBondContact N-O 2.85Å; I196-A267 HydrophobicContact CD1-CB 3.92Å; I196-A267 HydrophobicContact CG1-CB 3.52Å; I196-A267 CarbonylContact O-C 3.58Å; I196-A267 VanDerWaalsContact O-CA 3.3Å; I196-A267 WeakPolarHBondContact O-CA 3.28Å; I196-T268 PolarHBondContact O-N 3.22Å; I196-I284 HydrophobicContact CD1-CD1 4.02Å
197	S	96.9	Very high	90.7	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.028	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	153.9	162.6	78.2	0	0	0	0	111.1	V213 A214 H216 T268 R614	S197-V213 WeakPolarHBondContact O-CA 3.48Å; S197-A214 PolarHBondContact N-O 3.4Å; S197-A214 PolarHBondContact O-N 2.94Å; S197-H216 VanDerWaalsContact CB-NE2 3.27Å; S197-H216 WeakPolarHBondContact CB-NE2 3.44Å; S197-H216 PolarHBondContact OG-NE2 3.11Å; S197-T268 VanDerWaalsContact CA-O 3.25Å; S197-T268 WeakPolarHBondContact CA-O 3.32Å; S197-R614 WeakPolarHBondContact CB-O 3.38Å; S197-R614 PolarHBondContact OG-O 3.47Å
198	T	95.8	Very high	90.6	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.012	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.5	177.5	63	0	0	0	0	110.7	V211 T212 T268 T269 I275	T198-V211 HydrophobicContact CG2-CG1 4.5Å; T198-T212 CarbonylContact C-O 3.4Å; T198-T212 WeakPolarHBondContact CA-O 3.4Å; T198-T268 PolarHBondContact N-O 3.32Å; T198-T268 VanDerWaalsContact N-O 3.17Å; T198-T269 WeakPolarHBondContact OG1-CG2 3.49Å; T198-I275 HydrophobicContact CG2-CD1 3.78Å; T198-I275 HydrophobicContact CG2-CG1 4.34Å
199	D	93.4	Very high	90.5	Very high	9 Å²	9	56.4 Å²	56.4	5%	0.048	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	105.1	173.8	-176.2	29.1	0	0	0	109.9	V211 T212 R614 V615 R632	D199-V211 WeakPolarHBondContact O-CA 3.46Å; D199-T212 PolarHBondContact N-O 2.62Å; D199-T212 PolarHBondContact O-N 3.4Å; D199-R614 IonicContact OD1-CZ 3.49Å; D199-R614 VanDerWaalsContact OD1-CZ 3.25Å; D199-R614 IonicContact OD1-NE 3.41Å; D199-R614 IonicContact OD1-NH1 2.73Å; D199-R614 PolarHBondContact OD1-NH1 2.76Å; D199-R614 IonicContact OD1-NH2 2.75Å; D199-R614 PolarHBondContact OD1-NH2 2.91Å; D199-V615 HydrophobicContact CB-CG1 3.45Å; D199-V615 VanDerWaalsContact CB-CG1 3.45Å; D199-V615 VanDerWaalsContact CG-CG1 3.41Å; D199-R632 IonicContact OD2-CZ 3.6Å; D199-R632 IonicContact OD2-NH1 3.77Å; D199-R632 PolarHBondContact OD2-NH1 3Å; D199-R632 IonicContact OD2-NH2 2.66Å; D199-R632 PolarHBondContact OD2-NH2 3.42Å
200	L	90.6	Very high	90.7	Very high	76 Å²	76	52.3 Å²	52.3	40%	0.398	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	125	169.7	-178.4	70.3	0	0	0	109.2	Y210 V211 R614	L200-Y210 WeakPolarHBondContact CA-O 3.24Å; L200-V211 HydrophobicContact CB-CG2 4.5Å; L200-V211 HydrophobicContact CD1-CG2 3.59Å; L200-R614 PolarHBondContact O-NH1 3.39Å
201	W	90.3	Very high	91.2	Very high	25 Å²	25	44.8 Å²	44.8	10%	0.095	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	150.7	177.3	59.6	-85.6	0	0	0	111.3	Y210 T212 T235 R632 V640 I644	W201-Y210 HydrophobicContact CD2-CD2 4.4Å; W201-Y210 VanDerWaalsContact CE2-CB 3.49Å; W201-Y210 HydrophobicContact CE3-CD2 4.05Å; W201-Y210 AromaticContact CH2-CD2 3.41Å; W201-Y210 HydrophobicContact CH2-CD2 3.41Å; W201-Y210 VanDerWaalsContact CH2-CD2 3.41Å; W201-Y210 AromaticContact CH2-CE2 3.92Å; W201-Y210 HydrophobicContact CH2-CE2 3.92Å; W201-Y210 AromaticContact CH2-CG 3.82Å; W201-Y210 HydrophobicContact CH2-CG 3.82Å; W201-Y210 AromaticContact CZ2-CD2 3.81Å; W201-Y210 HydrophobicContact CZ2-CD2 3.81Å; W201-Y210 AromaticContact CZ2-CG 3.73Å; W201-Y210 HydrophobicContact CZ2-CG 3.73Å; W201-Y210 AromaticContact CZ3-CD2 3.56Å; W201-Y210 HydrophobicContact CZ3-CD2 3.56Å; W201-Y210 HydrophobicContact CZ3-CE2 4.08Å; W201-Y210 HydrophobicContact CZ3-CG 4.32Å; W201-Y210 PolarHBondContact N-O 3.29Å; W201-Y210 PolarHBondContact O-N 3.03Å; W201-T212 PolarHBondContact NE1-OG1 2.96Å; W201-T212 VanDerWaalsContact NE1-OG1 3.08Å; W201-T235 HydrophobicContact CZ2-CG2 4Å; W201-R632 HydrophobicContact CE3-CB 4.17Å; W201-R632 HydrophobicContact CH2-CB 3.82Å; W201-R632 HydrophobicContact CH2-CG 4.17Å; W201-R632 HydrophobicContact CZ2-CB 4.44Å; W201-R632 HydrophobicContact CZ2-CG 4.31Å; W201-R632 HydrophobicContact CZ3-CB 3.66Å; W201-R632 HydrophobicContact CZ3-CG 4.33Å; W201-V640 HydrophobicContact CH2-CG1 3.99Å; W201-V640 HydrophobicContact CZ2-CG1 3.9Å; W201-I644 HydrophobicContact CH2-CD1 4.12Å; W201-I644 HydrophobicContact CZ2-CD1 3.45Å; W201-I644 VanDerWaalsContact CZ2-CD1 3.45Å
202	R	88.8	Confident	91.5	Very high	104 Å²	104	44.6 Å²	44.6	39%	0.392	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.9	178.1	-166.5	178.7	-172.6	102.3	-7.8	109.4	N207 R208 S209 E240	R202-N207 PolarHBondContact NE-OD1 3.35Å; R202-N207 PolarHBondContact NH2-OD1 2.96Å; R202-R208 CarbonylContact C-O 3.59Å; R202-R208 WeakPolarHBondContact CA-O 3.47Å; R202-R208 WeakPolarHBondContact CG-O 3.35Å; R202-S209 PolarHBondContact NH1-OG 3.4Å; R202-E240 IonicContact CZ-OE1 2.73Å; R202-E240 IonicContact NH1-OE1 3.23Å; R202-E240 IonicContact NH2-OE1 3.18Å; R202-E240 PolarHBondContact NH2-OE1 3.31Å
203	S	88.6	Confident	92	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	110.2	165.7	-175.1	0	0	0	0	110.1	Q206 N207 R208 N633	S203-Q206 PolarHBondContact O-N 2.88Å; S203-N207 WeakPolarHBondContact O-CA 3.46Å; S203-N207 PolarHBondContact O-N 3.07Å; S203-R208 PolarHBondContact N-O 3.05Å; S203-R208 PolarHBondContact O-N 3.31Å; S203-N633 WeakPolarHBondContact CA-OD1 3.39Å; S203-N633 WeakPolarHBondContact CB-OD1 3.44Å; S203-N633 PolarHBondContact OG-OD1 3.11Å
204	E	82.2	Confident	92.2	Very high	154 Å²	154	38.4 Å²	38.4	72%	0.72	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-44.7	-177	-64.1	-174	169.6	0	0	111.7	Q206 N207 N633	E204-Q206 PolarHBondContact O-N 3.47Å; E204-N207 PolarHBondContact O-N 3.2Å; E204-N633 PolarHBondContact N-OD1 3.4Å
205	N	81.7	Confident	92.2	Very high	127 Å²	127	38.4 Å²	38.4	68%	0.679	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-30.2	-179.8	-70.1	-13.6	0	0	0	113.3	N633	N205-N633 PolarHBondContact ND2-O 3.4Å
206	Q	83.4	Confident	92.1	Very high	52 Å²	52	38.8 Å²	38.8	24%	0.243	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-8.9	-174.6	-61.3	172.6	39.2	0	0	112.5	S203 E204 R208 Y210 L635 P637	S203-Q206 PolarHBondContact O-N 2.88Å; E204-Q206 PolarHBondContact O-N 3.47Å; Q206-R208 HydrophobicContact CB-CB 4.4Å; Q206-R208 HydrophobicContact CB-CG 4.2Å; Q206-R208 PolarHBondContact O-N 3.04Å; Q206-Y210 PolarHBondContact OE1-OH 3.47Å; Q206-L635 PolarHBondContact NE2-O 3.48Å; Q206-P637 VanDerWaalsContact OE1-CG 3.24Å
207	N	88.1	Confident	91.9	Very high	105 Å²	105	38.9 Å²	38.9	56%	0.561	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	42.7	-172	-162.8	46.9	0	0	0	113.1	R202 S203 E204	R202-N207 PolarHBondContact NE-OD1 3.35Å; R202-N207 PolarHBondContact NH2-OD1 2.96Å; S203-N207 WeakPolarHBondContact O-CA 3.46Å; S203-N207 PolarHBondContact O-N 3.07Å; E204-N207 PolarHBondContact O-N 3.2Å
208	R	90.8	Very high	91.7	Very high	91 Å²	91	39.1 Å²	39.1	34%	0.343	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	143.3	-178	-71.1	178.7	-176.1	-122.9	-3.9	110.9	R202 S203 Q206 Y210 E237	R202-R208 CarbonylContact C-O 3.59Å; R202-R208 WeakPolarHBondContact CA-O 3.47Å; R202-R208 WeakPolarHBondContact CG-O 3.35Å; S203-R208 PolarHBondContact N-O 3.05Å; S203-R208 PolarHBondContact O-N 3.31Å; Q206-R208 HydrophobicContact CB-CB 4.4Å; Q206-R208 HydrophobicContact CB-CG 4.2Å; Q206-R208 PolarHBondContact O-N 3.04Å; R208-Y210 HydrophobicContact CB-CD2 4.39Å; R208-Y210 HydrophobicContact CB-CE2 3.65Å; R208-Y210 WeakPolarHBondContact CD-OH 3.33Å; R208-E237 VanDerWaalsContact CD-OE1 3.31Å; R208-E237 WeakPolarHBondContact CD-OE1 3.44Å; R208-E237 WeakPolarHBondContact CG-OE1 3.47Å; R208-E237 IonicContact CZ-OE1 2.69Å; R208-E237 IonicContact CZ-OE2 3.44Å; R208-E237 IonicContact NE-OE1 2.71Å; R208-E237 IonicContact NH1-OE1 3.12Å; R208-E237 PolarHBondContact NH1-OE1 2.84Å; R208-E237 IonicContact NH1-OE2 3.25Å; R208-E237 PolarHBondContact NH1-OE2 3.21Å
209	S	92.9	Very high	91.1	Very high	26 Å²	26	40.7 Å²	40.7	18%	0.182	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	138.9	173.4	-60.7	0	0	0	0	109.7	R202 E237 V238	R202-S209 PolarHBondContact NH1-OG 3.4Å; S209-E237 CarbonylContact O-C 3.52Å; S209-E237 WeakPolarHBondContact O-CA 3.36Å; S209-V238 PolarHBondContact O-N 3.39Å
210	Y	94.7	Very high	90.1	Very high	5 Å²	5	43 Å²	43	2%	0.02	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.3	-179.9	-64	-86	0	0	0	110.4	L200 W201 Q206 R208 T235 F236 E237 V640	L200-Y210 WeakPolarHBondContact CA-O 3.24Å; W201-Y210 HydrophobicContact CD2-CD2 4.4Å; W201-Y210 VanDerWaalsContact CE2-CB 3.49Å; W201-Y210 HydrophobicContact CE3-CD2 4.05Å; W201-Y210 AromaticContact CH2-CD2 3.41Å; W201-Y210 HydrophobicContact CH2-CD2 3.41Å; W201-Y210 VanDerWaalsContact CH2-CD2 3.41Å; W201-Y210 AromaticContact CH2-CE2 3.92Å; W201-Y210 HydrophobicContact CH2-CE2 3.92Å; W201-Y210 AromaticContact CH2-CG 3.82Å; W201-Y210 HydrophobicContact CH2-CG 3.82Å; W201-Y210 AromaticContact CZ2-CD2 3.81Å; W201-Y210 HydrophobicContact CZ2-CD2 3.81Å; W201-Y210 AromaticContact CZ2-CG 3.73Å; W201-Y210 HydrophobicContact CZ2-CG 3.73Å; W201-Y210 AromaticContact CZ3-CD2 3.56Å; W201-Y210 HydrophobicContact CZ3-CD2 3.56Å; W201-Y210 HydrophobicContact CZ3-CE2 4.08Å; W201-Y210 HydrophobicContact CZ3-CG 4.32Å; W201-Y210 PolarHBondContact N-O 3.29Å; W201-Y210 PolarHBondContact O-N 3.03Å; Q206-Y210 PolarHBondContact OE1-OH 3.47Å; R208-Y210 HydrophobicContact CB-CD2 4.39Å; R208-Y210 HydrophobicContact CB-CE2 3.65Å; R208-Y210 WeakPolarHBondContact CD-OH 3.33Å; Y210-T235 HydrophobicContact CD1-CG2 4.37Å; Y210-F236 CarbonylContact C-O 3.54Å; Y210-F236 VanDerWaalsContact CA-O 3.26Å; Y210-F236 WeakPolarHBondContact CA-O 3.4Å; Y210-E237 HydrophobicContact CD1-CB 3.98Å; Y210-E237 HydrophobicContact CE1-CB 3.84Å; Y210-E237 HydrophobicContact CE1-CG 4.38Å; Y210-V640 HydrophobicContact CD1-CG1 4.03Å; Y210-V640 HydrophobicContact CE1-CB 4.28Å; Y210-V640 HydrophobicContact CE1-CG1 4.01Å; Y210-V640 HydrophobicContact CE1-CG2 4.2Å
211	V	95.4	Very high	88.9	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.7	168.1	171.6	0	0	0	0	108.2	T198 D199 L200 V213 T235 F236 V238 I247	T198-V211 HydrophobicContact CG2-CG1 4.5Å; D199-V211 WeakPolarHBondContact O-CA 3.46Å; L200-V211 HydrophobicContact CB-CG2 4.5Å; L200-V211 HydrophobicContact CD1-CG2 3.59Å; V211-V213 HydrophobicContact CG1-CG2 4.18Å; V211-T235 WeakPolarHBondContact O-CA 3.37Å; V211-F236 HydrophobicContact CB-CD1 4.44Å; V211-F236 HydrophobicContact CB-CE1 3.9Å; V211-F236 HydrophobicContact CB-CE2 4.16Å; V211-F236 HydrophobicContact CB-CZ 3.74Å; V211-F236 HydrophobicContact CG1-CE1 3.81Å; V211-F236 HydrophobicContact CG1-CZ 3.83Å; V211-F236 PolarHBondContact N-O 2.95Å; V211-F236 WeakPolarHBondContact O-CD1 3.3Å; V211-F236 PolarHBondContact O-N 3.28Å; V211-V238 HydrophobicContact CB-CG2 4.06Å; V211-V238 HydrophobicContact CG2-CG2 3.57Å; V211-I247 HydrophobicContact CG2-CD1 4.47Å; V211-I247 HydrophobicContact CG2-CG1 4.48Å
212	T	96.6	Very high	87.5	Confident	8 Å²	8	46.8 Å²	46.8	5%	0.049	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.2	169.8	-56.2	0	0	0	0	109.5	T198 D199 W201 K234 T235 I644	T198-T212 CarbonylContact C-O 3.4Å; T198-T212 WeakPolarHBondContact CA-O 3.4Å; D199-T212 PolarHBondContact N-O 2.62Å; D199-T212 PolarHBondContact O-N 3.4Å; W201-T212 PolarHBondContact NE1-OG1 2.96Å; W201-T212 VanDerWaalsContact NE1-OG1 3.08Å; T212-K234 CarbonylContact C-O 3.59Å; T212-K234 WeakPolarHBondContact CA-O 3.48Å; T212-T235 VanDerWaalsContact CG2-OG1 3.32Å; T212-T235 WeakPolarHBondContact CG2-OG1 3.44Å; T212-T235 VanDerWaalsContact OG1-CG2 3.27Å; T212-T235 WeakPolarHBondContact OG1-CG2 3.43Å; T212-T235 PolarHBondContact OG1-OG1 2.89Å; T212-I644 HydrophobicContact CG2-CG2 4.14Å
213	V	97.4	Very high	86.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.6	-178.3	-174.5	0	0	0	0	108.3	S197 V211 L233 K234 F236 L251	S197-V213 WeakPolarHBondContact O-CA 3.48Å; V211-V213 HydrophobicContact CG1-CG2 4.18Å; V213-L233 PolarHBondContact O-N 2.9Å; V213-K234 PolarHBondContact N-O 3.36Å; V213-K234 PolarHBondContact O-N 3.46Å; V213-F236 HydrophobicContact CG2-CD1 4.49Å; V213-F236 HydrophobicContact CG2-CE1 3.76Å; V213-L251 HydrophobicContact CB-CD2 4.43Å; V213-L251 HydrophobicContact CG1-CD2 3.94Å; V213-L251 HydrophobicContact CG2-CD2 3.57Å
214	A	97	Very high	85.2	Confident	16 Å²	16	51.5 Å²	51.5	13%	0.132	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	153.2	170.5	0	0	0	0	0	110.3	I196 S197 R231	I196-A214 CarbonylContact C-O 3.32Å; I196-A214 WeakPolarHBondContact CA-O 3.3Å; I196-A214 WeakPolarHBondContact CB-O 3.43Å; S197-A214 PolarHBondContact N-O 3.4Å; S197-A214 PolarHBondContact O-N 2.94Å; A214-R231 CarbonylContact C-O 3.36Å; A214-R231 VanDerWaalsContact CA-O 3.22Å; A214-R231 WeakPolarHBondContact CA-O 3.37Å
215	V	96.9	Very high	85.1	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	143.5	172	66	0	0	0	0	109.5	L188 C194 G195 F217 S230 R231 L233 I260	L188-V215 HydrophobicContact CD1-CG1 4.2Å; L188-V215 HydrophobicContact CD2-CG1 3.83Å; L188-V215 HydrophobicContact CD2-CG2 4.19Å; C194-V215 HydrophobicContact CB-CG2 3.53Å; G195-V215 CarbonylContact O-C 3.22Å; G195-V215 WeakPolarHBondContact O-CA 3.38Å; V215-F217 HydrophobicContact CG1-CE1 4.49Å; V215-S230 CarbonylContact O-C 3.52Å; V215-S230 VanDerWaalsContact O-CA 3.3Å; V215-S230 WeakPolarHBondContact O-CA 3.43Å; V215-R231 HydrophobicContact CG1-CB 3.99Å; V215-R231 PolarHBondContact N-O 2.94Å; V215-R231 PolarHBondContact O-N 3.47Å; V215-L233 HydrophobicContact CB-CD1 3.77Å; V215-L233 HydrophobicContact CB-CD2 4.4Å; V215-L233 HydrophobicContact CB-CG 4.04Å; V215-L233 HydrophobicContact CG1-CD1 3.87Å; V215-L233 HydrophobicContact CG1-CD2 3.59Å; V215-L233 HydrophobicContact CG1-CG 3.76Å; V215-I260 HydrophobicContact CG2-CD1 4.22Å
216	H	95.4	Very high	85.4	Confident	8 Å²	8	40.8 Å²	40.8	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.1	-175.6	-52.7	-65.7	0	0	0	109.5	C194 G195 S197 N229 S230 C609 L611	C194-H216 CarbonylContact C-O 3.49Å; C194-H216 WeakPolarHBondContact CA-O 3.18Å; C194-H216 WeakPolarHBondContact CB-O 3.31Å; G195-H216 PolarHBondContact N-O 2.81Å; G195-H216 PolarHBondContact O-N 2.82Å; S197-H216 VanDerWaalsContact CB-NE2 3.27Å; S197-H216 WeakPolarHBondContact CB-NE2 3.44Å; S197-H216 PolarHBondContact OG-NE2 3.11Å; H216-N229 VanDerWaalsContact CA-O 3.31Å; H216-N229 WeakPolarHBondContact CA-O 3.22Å; H216-S230 VanDerWaalsContact ND1-CB 3.31Å; H216-S230 WeakPolarHBondContact ND1-CB 3.49Å; H216-S230 PolarHBondContact ND1-OG 3.34Å; H216-C609 WeakPolarHBondContact CB-O 3.26Å; H216-L611 HydrophobicContact CB-CD1 4.44Å; H216-L611 HydrophobicContact CB-CD2 4.39Å; H216-L611 HydrophobicContact CB-CG 4.11Å; H216-L611 WeakPolarHBondContact CE1-CD1 3.44Å; H216-L611 VanDerWaalsContact ND1-CD1 3.32Å; H216-L611 WeakPolarHBondContact ND1-CD1 3.33Å
217	F	93.8	Very high	85.6	Confident	3 Å²	3	40 Å²	40	1%	0.013	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	154.4	-178.8	56	-86.3	0	0	0	110.8	E187 L188 V191 C194 V215 N229 R231	E187-F217 HydrophobicContact CB-CZ 4.11Å; L188-F217 HydrophobicContact CD2-CD1 3.75Å; L188-F217 HydrophobicContact CD2-CE1 3.46Å; L188-F217 VanDerWaalsContact CD2-CE1 3.46Å; L188-F217 HydrophobicContact CD2-CZ 4.16Å; V191-F217 HydrophobicContact CG1-CB 3.69Å; V191-F217 HydrophobicContact CG1-CG 4.18Å; V191-F217 HydrophobicContact CG2-CB 3.99Å; V191-F217 HydrophobicContact CG2-CD1 4.15Å; V191-F217 HydrophobicContact CG2-CD2 3.35Å; V191-F217 HydrophobicContact CG2-CE2 3.75Å; V191-F217 HydrophobicContact CG2-CG 3.57Å; V191-F217 HydrophobicContact CG2-CZ 4.31Å; C194-F217 HydrophobicContact CB-CB 4.26Å; V215-F217 HydrophobicContact CG1-CE1 4.49Å; F217-N229 HydrophobicContact CD1-CB 4.49Å; F217-N229 HydrophobicContact CD2-CB 4.15Å; F217-N229 HydrophobicContact CE1-CB 3.99Å; F217-N229 HydrophobicContact CE2-CB 3.63Å; F217-N229 HydrophobicContact CZ-CB 3.54Å; F217-N229 PolarHBondContact N-O 2.88Å; F217-N229 PolarHBondContact O-N 2.98Å; F217-R231 HydrophobicContact CE1-CG 4.37Å
218	L	91.4	Very high	85.5	Confident	9 Å²	9	37 Å²	37	5%	0.047	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	118.6	168.7	-86.4	70.8	0	0	0	108.3	A227 P417 L587 L604 Q605 W608	L218-A227 WeakPolarHBondContact CA-O 3.36Å; L218-P417 HydrophobicContact CD1-CG 4.18Å; L218-L587 HydrophobicContact CD2-CD2 3.93Å; L218-L604 HydrophobicContact CD2-CD2 3.7Å; L218-L604 HydrophobicContact CD2-CG 4.37Å; L218-Q605 HydrophobicContact CB-CB 4.38Å; L218-Q605 HydrophobicContact CB-CG 3.83Å; L218-W608 HydrophobicContact CD1-CB 3.7Å; L218-W608 WeakPolarHBondContact CD1-O 3.31Å; L218-W608 HydrophobicContact CD2-CB 3.84Å; L218-W608 HydrophobicContact CD2-CE3 4.46Å; L218-W608 HydrophobicContact CG-CB 4.45Å
219	S	83.5	Confident	85.5	Confident	35 Å²	35	34.1 Å²	34.1	25%	0.245	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	147.2	172.4	69.8	0	0	0	0	110.4	L226 A227 N229	S219-L226 WeakPolarHBondContact O-CA 3.36Å; S219-A227 PolarHBondContact N-O 3.39Å; S219-A227 PolarHBondContact O-N 3.03Å; S219-N229 WeakPolarHBondContact CB-ND2 3.47Å; S219-N229 PolarHBondContact OG-ND2 3.37Å
220	S	72.4	Confident	85.4	Confident	57 Å²	57	34 Å²	34	40%	0.399	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	113.7	160.6	-161.9	0	0	0	0	108.3
221	S	65.6	Low	85.4	Confident	40 Å²	40	36.3 Å²	36.3	28%	0.28	23%	0.229	S	C	.	.			trans	-58.9	156.5	171.8	168.3	0	0	0	0	110.5	S223 N224 C225	S221-S223 WeakPolarHBondContact CB-OG 3.4Å; S221-S223 PolarHBondContact O-N 3.04Å; S221-S223 PolarHBondContact OG-N 3.03Å; S221-S223 PolarHBondContact OG-OG 3.37Å; S221-N224 WeakPolarHBondContact O-CA 3.22Å; S221-N224 PolarHBondContact O-N 3.11Å; S221-C225 WeakPolarHBondContact CB-O 3Å; S221-C225 PolarHBondContact N-O 3.22Å
222	P	61	Low	85.5	Confident	141 Å²	141	36.5 Å²	36.5	92%	0.916	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-20.7	169.2	-27.1	34.1	0	0	0	114.5	N224	P222-N224 VanDerWaalsContact C-N 3.32Å
223	S	62.1	Low	85.5	Confident	90 Å²	90	36.1 Å²	36.1	63%	0.629	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	10.4	172.6	54.9	0	0	0	0	115.2	S221 C225	S221-S223 WeakPolarHBondContact CB-OG 3.4Å; S221-S223 PolarHBondContact O-N 3.04Å; S221-S223 PolarHBondContact OG-N 3.03Å; S221-S223 PolarHBondContact OG-OG 3.37Å; S223-C225 PolarHBondContact O-N 3.03Å
224	N	66.3	Low	85.5	Confident	112 Å²	112	38 Å²	38	60%	0.599	24%	0.236	S	C	*	.	S	Bend	trans	54.2	32.5	-171.1	-72.9	-26.5	0	0	0	113.8	S221 P222 L594	S221-N224 WeakPolarHBondContact O-CA 3.22Å; S221-N224 PolarHBondContact O-N 3.11Å; P222-N224 VanDerWaalsContact C-N 3.32Å; N224-L594 HydrophobicContact CB-CD1 4.23Å; N224-L594 WeakPolarHBondContact O-CD1 3.3Å
225	C	80.1	Confident	85.5	Confident	52 Å²	52	37.4 Å²	37.4	35%	0.351	23%	0.231	S	C	.	.			trans	-100.6	125.6	174.7	-169	0	0	0	0	109.6	S221 S223 A227	S221-C225 WeakPolarHBondContact CB-O 3Å; S221-C225 PolarHBondContact N-O 3.22Å; S223-C225 PolarHBondContact O-N 3.03Å; C225-A227 PolarHBondContact O-N 2.78Å
226	L	87.6	Confident	85.4	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	125.1	171.4	-68.6	174.6	0	0	0	109.3	S219 L587 W590 S591 L594 P601 L604	S219-L226 WeakPolarHBondContact O-CA 3.36Å; L226-L587 HydrophobicContact CB-CD2 4.06Å; L226-W590 HydrophobicContact CD1-CB 3.82Å; L226-S591 PolarHBondContact N-OG 3.19Å; L226-L594 HydrophobicContact CD1-CD2 4.05Å; L226-L594 HydrophobicContact CG-CD2 4.32Å; L226-P601 HydrophobicContact CD1-CB 4.49Å; L226-L604 HydrophobicContact CD1-CD2 3.86Å
227	A	87.9	Confident	85.4	Confident	37 Å²	37	41.6 Å²	41.6	31%	0.306	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.4	175.2	0	0	0	0	0	110.2	L218 S219 C225 N229	L218-A227 WeakPolarHBondContact CA-O 3.36Å; S219-A227 PolarHBondContact N-O 3.39Å; S219-A227 PolarHBondContact O-N 3.03Å; C225-A227 PolarHBondContact O-N 2.78Å; A227-N229 PolarHBondContact O-ND2 3.09Å
228	V	87.6	Confident	85.4	Confident	40 Å²	40	41.8 Å²	41.8	24%	0.242	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	133.1	170.4	-158.7	0	0	0	0	108.1	P417 L587 L611	V228-P417 HydrophobicContact CB-CG 4.35Å; V228-P417 HydrophobicContact CG1-CG 4.24Å; V228-P417 HydrophobicContact CG2-CB 4.41Å; V228-P417 HydrophobicContact CG2-CG 3.21Å; V228-L587 HydrophobicContact CG2-CD1 3.67Å; V228-L611 HydrophobicContact CG1-CD2 4.43Å
229	N	89.6	Confident	85.2	Confident	32 Å²	32	44.2 Å²	44.2	17%	0.171	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142.8	169.4	-60.6	-86.5	0	0	0	108.7	H216 F217 S219 A227	H216-N229 VanDerWaalsContact CA-O 3.31Å; H216-N229 WeakPolarHBondContact CA-O 3.22Å; F217-N229 HydrophobicContact CD1-CB 4.49Å; F217-N229 HydrophobicContact CD2-CB 4.15Å; F217-N229 HydrophobicContact CE1-CB 3.99Å; F217-N229 HydrophobicContact CE2-CB 3.63Å; F217-N229 HydrophobicContact CZ-CB 3.54Å; F217-N229 PolarHBondContact N-O 2.88Å; F217-N229 PolarHBondContact O-N 2.98Å; S219-N229 WeakPolarHBondContact CB-ND2 3.47Å; S219-N229 PolarHBondContact OG-ND2 3.37Å; A227-N229 PolarHBondContact O-ND2 3.09Å
230	S	91.8	Very high	85.1	Confident	22 Å²	22	49.1 Å²	49.1	15%	0.154	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.3	173.1	-59.9	0	0	0	0	107.8	V215 H216	V215-S230 CarbonylContact O-C 3.52Å; V215-S230 VanDerWaalsContact O-CA 3.3Å; V215-S230 WeakPolarHBondContact O-CA 3.43Å; H216-S230 VanDerWaalsContact ND1-CB 3.31Å; H216-S230 WeakPolarHBondContact ND1-CB 3.49Å; H216-S230 PolarHBondContact ND1-OG 3.34Å
231	R	94.3	Very high	85.6	Confident	55 Å²	55	52.5 Å²	52.5	21%	0.208	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.6	177.9	-62.1	-64.3	-177.4	-119.9	1.6	109.9	V184 E187 A214 V215 F217 N649	V184-R231 HydrophobicContact CG1-CB 3.82Å; V184-R231 HydrophobicContact CG1-CG 3.95Å; V184-R231 HydrophobicContact CG2-CB 4.37Å; V184-R231 HydrophobicContact CG2-CG 4.13Å; E187-R231 IonicContact OE1-CZ 3.54Å; E187-R231 IonicContact OE1-NE 2.76Å; E187-R231 IonicContact OE1-NH2 3.4Å; E187-R231 PolarHBondContact OE1-NH2 3.49Å; E187-R231 IonicContact OE2-CZ 2.82Å; E187-R231 IonicContact OE2-NE 3.86Å; E187-R231 PolarHBondContact OE2-NE 3.24Å; E187-R231 IonicContact OE2-NH2 2.78Å; E187-R231 PolarHBondContact OE2-NH2 3.47Å; A214-R231 CarbonylContact C-O 3.36Å; A214-R231 VanDerWaalsContact CA-O 3.22Å; A214-R231 WeakPolarHBondContact CA-O 3.37Å; V215-R231 HydrophobicContact CG1-CB 3.99Å; V215-R231 PolarHBondContact N-O 2.94Å; V215-R231 PolarHBondContact O-N 3.47Å; F217-R231 HydrophobicContact CE1-CG 4.37Å; R231-N649 WeakPolarHBondContact CA-OD1 3.39Å; R231-N649 WeakPolarHBondContact CB-OD1 3.44Å; R231-N649 WeakPolarHBondContact CD-OD1 3.47Å
232	C	96.3	Very high	86.3	Confident	5 Å²	5	55.9 Å²	55.9	3%	0.034	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	133	168.7	-179	0	0	0	0	108.5	F645 E648 N649	C232-F645 WeakPolarHBondContact O-CD2 3.45Å; C232-F645 WeakPolarHBondContact O-CE2 3.36Å; C232-E648 HydrophobicContact CB-CB 3.43Å; C232-E648 VanDerWaalsContact CB-CB 3.43Å; C232-E648 HydrophobicContact CB-CG 3.89Å; C232-N649 PolarHBondContact N-OD1 3.37Å; C232-N649 PolarHBondContact O-ND2 3.38Å
233	L	97.5	Very high	87.6	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-41.1	-179.9	-63.9	-167.6	0	0	0	112.3	V184 L188 V213 V215 T254 W258 I260	V184-L233 HydrophobicContact CG1-CD2 4.14Å; L188-L233 HydrophobicContact CD1-CD2 4.1Å; V213-L233 PolarHBondContact O-N 2.9Å; V215-L233 HydrophobicContact CB-CD1 3.77Å; V215-L233 HydrophobicContact CB-CD2 4.4Å; V215-L233 HydrophobicContact CB-CG 4.04Å; V215-L233 HydrophobicContact CG1-CD1 3.87Å; V215-L233 HydrophobicContact CG1-CD2 3.59Å; V215-L233 HydrophobicContact CG1-CG 3.76Å; L233-T254 HydrophobicContact CB-CG2 3.92Å; L233-T254 HydrophobicContact CD1-CG2 4.08Å; L233-W258 HydrophobicContact CD1-CB 4.36Å; L233-W258 HydrophobicContact CD1-CG 4.06Å; L233-W258 HydrophobicContact CD2-CD2 3.72Å; L233-W258 HydrophobicContact CD2-CE3 4.05Å; L233-W258 HydrophobicContact CD2-CG 4.08Å; L233-W258 HydrophobicContact CD2-CH2 4.32Å; L233-W258 HydrophobicContact CD2-CZ2 4.06Å; L233-W258 HydrophobicContact CD2-CZ3 4.35Å; L233-W258 HydrophobicContact CG-CG 4.5Å; L233-W258 PolarHBondContact O-NE1 3.28Å; L233-I260 HydrophobicContact CD1-CD1 3.69Å
234	K	97.1	Very high	89.1	Confident	38 Å²	38	46.2 Å²	46.2	17%	0.165	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	142.9	-173	-163	162.8	-164.3	146.4	0	112.1	T212 V213 F236 V250 T254 E257 D641	T212-K234 CarbonylContact C-O 3.59Å; T212-K234 WeakPolarHBondContact CA-O 3.48Å; V213-K234 PolarHBondContact N-O 3.36Å; V213-K234 PolarHBondContact O-N 3.46Å; K234-F236 HydrophobicContact CG-CD1 4.38Å; K234-V250 HydrophobicContact CD-CG1 3.85Å; K234-T254 HydrophobicContact CB-CG2 4.29Å; K234-T254 VanDerWaalsContact CD-OG1 3.29Å; K234-T254 WeakPolarHBondContact CD-OG1 3.37Å; K234-E257 IonicContact NZ-OE2 3.07Å; K234-D641 WeakPolarHBondContact CA-OD1 3.43Å
235	T	97.3	Very high	90.4	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.5	160.4	-56.8	0	0	0	0	109.9	W201 Y210 V211 T212 V640 D641 I644	W201-T235 HydrophobicContact CZ2-CG2 4Å; Y210-T235 HydrophobicContact CD1-CG2 4.37Å; V211-T235 WeakPolarHBondContact O-CA 3.37Å; T212-T235 VanDerWaalsContact CG2-OG1 3.32Å; T212-T235 WeakPolarHBondContact CG2-OG1 3.44Å; T212-T235 VanDerWaalsContact OG1-CG2 3.27Å; T212-T235 WeakPolarHBondContact OG1-CG2 3.43Å; T212-T235 PolarHBondContact OG1-OG1 2.89Å; T235-V640 HydrophobicContact CG2-CG1 3.71Å; T235-D641 PolarHBondContact N-OD1 3.42Å; T235-D641 VanDerWaalsContact O-CB 3.26Å; T235-D641 WeakPolarHBondContact O-CB 3.35Å; T235-D641 VanDerWaalsContact O-CG 3.3Å; T235-I644 HydrophobicContact CG2-CD1 4Å; T235-I644 WeakPolarHBondContact OG1-CG2 3.26Å
236	F	95.9	Very high	91.1	Very high	18 Å²	18	43.5 Å²	43.5	8%	0.079	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	149.2	-178.8	62.8	-84.7	0	0	0	111.7	Y210 V211 V213 K234 V238 I247 V250	Y210-F236 CarbonylContact C-O 3.54Å; Y210-F236 VanDerWaalsContact CA-O 3.26Å; Y210-F236 WeakPolarHBondContact CA-O 3.4Å; V211-F236 HydrophobicContact CB-CD1 4.44Å; V211-F236 HydrophobicContact CB-CE1 3.9Å; V211-F236 HydrophobicContact CB-CE2 4.16Å; V211-F236 HydrophobicContact CB-CZ 3.74Å; V211-F236 HydrophobicContact CG1-CE1 3.81Å; V211-F236 HydrophobicContact CG1-CZ 3.83Å; V211-F236 PolarHBondContact N-O 2.95Å; V211-F236 WeakPolarHBondContact O-CD1 3.3Å; V211-F236 PolarHBondContact O-N 3.28Å; V213-F236 HydrophobicContact CG2-CD1 4.49Å; V213-F236 HydrophobicContact CG2-CE1 3.76Å; K234-F236 HydrophobicContact CG-CD1 4.38Å; F236-V238 HydrophobicContact CD2-CG2 3.86Å; F236-V238 HydrophobicContact CE2-CG2 3.58Å; F236-V238 HydrophobicContact CZ-CG2 4.49Å; F236-I247 HydrophobicContact CE2-CG1 4.28Å; F236-I247 HydrophobicContact CZ-CG1 4.42Å; F236-V250 HydrophobicContact CB-CG1 4.14Å; F236-V250 HydrophobicContact CD1-CB 4.23Å; F236-V250 HydrophobicContact CD1-CG1 3.39Å; F236-V250 HydrophobicContact CD2-CB 3.97Å; F236-V250 HydrophobicContact CD2-CG1 3.88Å; F236-V250 HydrophobicContact CD2-CG2 3.93Å; F236-V250 HydrophobicContact CE1-CB 4.08Å; F236-V250 HydrophobicContact CE1-CG1 3.58Å; F236-V250 HydrophobicContact CE2-CB 3.8Å; F236-V250 HydrophobicContact CE2-CG1 4.04Å; F236-V250 HydrophobicContact CE2-CG2 4.08Å; F236-V250 HydrophobicContact CG-CB 4.17Å; F236-V250 HydrophobicContact CG-CG1 3.54Å; F236-V250 HydrophobicContact CG-CG2 4.34Å; F236-V250 HydrophobicContact CZ-CB 3.86Å; F236-V250 HydrophobicContact CZ-CG1 3.9Å
237	E	94.9	Very high	91.5	Very high	78 Å²	78	43.5 Å²	43.5	36%	0.364	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	139.1	174	-177.1	175.3	-174.2	0	0	110.4	R208 S209 Y210	R208-E237 VanDerWaalsContact CD-OE1 3.31Å; R208-E237 WeakPolarHBondContact CD-OE1 3.44Å; R208-E237 WeakPolarHBondContact CG-OE1 3.47Å; R208-E237 IonicContact CZ-OE1 2.69Å; R208-E237 IonicContact CZ-OE2 3.44Å; R208-E237 IonicContact NE-OE1 2.71Å; R208-E237 IonicContact NH1-OE1 3.12Å; R208-E237 PolarHBondContact NH1-OE1 2.84Å; R208-E237 IonicContact NH1-OE2 3.25Å; R208-E237 PolarHBondContact NH1-OE2 3.21Å; S209-E237 CarbonylContact O-C 3.52Å; S209-E237 WeakPolarHBondContact O-CA 3.36Å; Y210-E237 HydrophobicContact CD1-CB 3.98Å; Y210-E237 HydrophobicContact CE1-CB 3.84Å; Y210-E237 HydrophobicContact CE1-CG 4.38Å
238	V	92.4	Very high	92	Very high	6 Å²	6	42.7 Å²	42.7	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	111.7	175.1	-171.3	0	0	0	0	108.6	S209 V211 F236 T243 I247	S209-V238 PolarHBondContact O-N 3.39Å; V211-V238 HydrophobicContact CB-CG2 4.06Å; V211-V238 HydrophobicContact CG2-CG2 3.57Å; F236-V238 HydrophobicContact CD2-CG2 3.86Å; F236-V238 HydrophobicContact CE2-CG2 3.58Å; F236-V238 HydrophobicContact CZ-CG2 4.49Å; V238-T243 HydrophobicContact CG1-CG2 3.51Å; V238-I247 HydrophobicContact CG1-CD1 4.33Å; V238-I247 HydrophobicContact CG1-CG1 4.12Å; V238-I247 HydrophobicContact CG2-CG1 4.1Å
239	P	87.4	Confident	92.4	Very high	61 Å²	61	46.8 Å²	46.8	40%	0.396	23%	0.233	S	C	.	.			trans	-66.5	156.6	175.1	28.8	-31.8	0	0	0	110.6	D241 T243	P239-D241 VanDerWaalsContact C-N 3.26Å; P239-D241 PolarHBondContact O-N 2.82Å; P239-T243 PolarHBondContact O-OG1 2.62Å
240	E	82.9	Confident	92.8	Very high	137 Å²	137	45.7 Å²	45.7	64%	0.64	23%	0.227	S	C	*	.	S	Bend	trans	-66.7	-28.9	180	-63.8	-173.8	167.3	0	0	112.4	R202 T243	R202-E240 IonicContact CZ-OE1 2.73Å; R202-E240 IonicContact NH1-OE1 3.23Å; R202-E240 IonicContact NH2-OE1 3.18Å; R202-E240 PolarHBondContact NH2-OE1 3.31Å; E240-T243 PolarHBondContact O-OG1 3.39Å
241	D	82.4	Confident	93.1	Very high	128 Å²	128	44.7 Å²	44.7	68%	0.684	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	136.4	174.2	-63.4	-42.9	0	0	0	111.2	P239 T243	P239-D241 VanDerWaalsContact C-N 3.26Å; P239-D241 PolarHBondContact O-N 2.82Å; D241-T243 VanDerWaalsContact C-N 3.31Å; D241-T243 PolarHBondContact O-N 2.93Å
242	N	80.5	Confident	93.3	Very high	111 Å²	111	48.5 Å²	48.5	59%	0.594	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	39.3	178.8	-48.5	-66.9	0	0	0	113.7	A244 E245 T246	N242-A244 PolarHBondContact O-N 3.02Å; N242-E245 VanDerWaalsContact CA-OE2 3.28Å; N242-E245 WeakPolarHBondContact CA-OE2 3.44Å; N242-E245 HydrophobicContact CB-CB 4.25Å; N242-E245 PolarHBondContact O-N 3.2Å; N242-T246 WeakPolarHBondContact O-CB 3.45Å; N242-T246 PolarHBondContact O-N 3.05Å; N242-T246 PolarHBondContact O-OG1 2.73Å
243	T	88.9	Confident	93.4	Very high	29 Å²	29	52.1 Å²	52.1	18%	0.178	25%	0.252	C	S	.	.	H	α-helix	trans	-50.9	-55.1	179.3	-51.9	0	0	0	0	111.4	V238 P239 E240 D241 E245 T246 I247 D274	V238-T243 HydrophobicContact CG1-CG2 3.51Å; P239-T243 PolarHBondContact O-OG1 2.62Å; E240-T243 PolarHBondContact O-OG1 3.39Å; D241-T243 VanDerWaalsContact C-N 3.31Å; D241-T243 PolarHBondContact O-N 2.93Å; T243-E245 PolarHBondContact O-N 3.45Å; T243-T246 PolarHBondContact O-N 2.83Å; T243-I247 HydrophobicContact CG2-CD1 3.85Å; T243-I247 WeakPolarHBondContact O-CB 3.08Å; T243-I247 WeakPolarHBondContact O-CG1 3.43Å; T243-I247 PolarHBondContact O-N 3.18Å; T243-D274 HydrophobicContact CG2-CB 3.67Å
244	A	92.1	Very high	93.4	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-42.9	-177.5	0	0	0	0	0	112.7	N242 I247 T248 D274 K277	N242-A244 PolarHBondContact O-N 3.02Å; A244-I247 PolarHBondContact O-N 3.44Å; A244-T248 WeakPolarHBondContact O-CB 3.27Å; A244-T248 PolarHBondContact O-N 2.99Å; A244-T248 PolarHBondContact O-OG1 3.34Å; A244-D274 HydrophobicContact CB-CB 4.01Å; A244-K277 HydrophobicContact CB-CB 4.23Å; A244-K277 HydrophobicContact CB-CD 3.71Å; A244-K277 HydrophobicContact CB-CG 4.2Å
245	E	93.6	Very high	93.4	Very high	84 Å²	84	50.7 Å²	50.7	39%	0.393	25%	0.246	S	C	.	.	H	α-helix	trans	-65.4	-41.1	179.5	-65.2	69.2	-153.5	0	0	111	N242 T243 T248 R249 K277	N242-E245 VanDerWaalsContact CA-OE2 3.28Å; N242-E245 WeakPolarHBondContact CA-OE2 3.44Å; N242-E245 HydrophobicContact CB-CB 4.25Å; N242-E245 PolarHBondContact O-N 3.2Å; T243-E245 PolarHBondContact O-N 3.45Å; E245-T248 PolarHBondContact O-N 3.03Å; E245-R249 WeakPolarHBondContact O-CB 3.26Å; E245-R249 PolarHBondContact O-N 2.9Å; E245-K277 IonicContact OE1-NZ 3.93Å; E245-K277 PolarHBondContact OE1-NZ 2.66Å
246	T	95.4	Very high	93.4	Very high	22 Å²	22	54.3 Å²	54.3	14%	0.135	26%	0.264	C	S	.	.	H	α-helix	trans	-63.8	-48.7	176.2	-59.6	0	0	0	0	111.1	N242 T243 T248 R249 V250	N242-T246 WeakPolarHBondContact O-CB 3.45Å; N242-T246 PolarHBondContact O-N 3.05Å; N242-T246 PolarHBondContact O-OG1 2.73Å; T243-T246 PolarHBondContact O-N 2.83Å; T246-T248 PolarHBondContact O-N 3.14Å; T246-R249 PolarHBondContact O-N 3.35Å; T246-V250 HydrophobicContact CG2-CG2 4.43Å; T246-V250 WeakPolarHBondContact O-CG2 3.46Å; T246-V250 PolarHBondContact O-N 3.43Å
247	I	96.4	Very high	93.5	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-58.1	-49.1	176.5	-69.5	168.5	0	0	0	110.3	V211 F236 V238 T243 A244 R249 V250 L251 D274 I275 A278	V211-I247 HydrophobicContact CG2-CD1 4.47Å; V211-I247 HydrophobicContact CG2-CG1 4.48Å; F236-I247 HydrophobicContact CE2-CG1 4.28Å; F236-I247 HydrophobicContact CZ-CG1 4.42Å; V238-I247 HydrophobicContact CG1-CD1 4.33Å; V238-I247 HydrophobicContact CG1-CG1 4.12Å; V238-I247 HydrophobicContact CG2-CG1 4.1Å; T243-I247 HydrophobicContact CG2-CD1 3.85Å; T243-I247 WeakPolarHBondContact O-CB 3.08Å; T243-I247 WeakPolarHBondContact O-CG1 3.43Å; T243-I247 PolarHBondContact O-N 3.18Å; A244-I247 PolarHBondContact O-N 3.44Å; I247-R249 PolarHBondContact O-N 3.48Å; I247-V250 PolarHBondContact O-N 3.39Å; I247-L251 HydrophobicContact CG2-CD1 3.76Å; I247-L251 HydrophobicContact CG2-CG 4.2Å; I247-L251 WeakPolarHBondContact O-CB 3.49Å; I247-L251 WeakPolarHBondContact O-CG 3.4Å; I247-L251 PolarHBondContact O-N 3.35Å; I247-D274 HydrophobicContact CD1-CB 4.23Å; I247-I275 HydrophobicContact CD1-CD1 4.35Å; I247-I275 HydrophobicContact CG2-CD1 3.43Å; I247-I275 VanDerWaalsContact CG2-CD1 3.43Å; I247-A278 HydrophobicContact CB-CB 4.08Å; I247-A278 HydrophobicContact CG2-CB 3.47Å; I247-A278 VanDerWaalsContact CG2-CB 3.47Å
248	T	97.2	Very high	93.6	Very high	21 Å²	21	53.6 Å²	53.6	13%	0.129	26%	0.261	C	S	.	.	H	α-helix	trans	-56	-51.3	-179.3	-55.6	0	0	0	0	110.9	A244 E245 T246 L251 Y252 A278 L281 L282	A244-T248 WeakPolarHBondContact O-CB 3.27Å; A244-T248 PolarHBondContact O-N 2.99Å; A244-T248 PolarHBondContact O-OG1 3.34Å; E245-T248 PolarHBondContact O-N 3.03Å; T246-T248 PolarHBondContact O-N 3.14Å; T248-L251 PolarHBondContact O-N 2.95Å; T248-Y252 WeakPolarHBondContact O-CB 3.48Å; T248-Y252 PolarHBondContact O-N 2.94Å; T248-A278 VanDerWaalsContact OG1-CA 3.26Å; T248-A278 WeakPolarHBondContact OG1-CA 3.26Å; T248-A278 VanDerWaalsContact OG1-CB 3.26Å; T248-A278 WeakPolarHBondContact OG1-CB 3.37Å; T248-L281 HydrophobicContact CG2-CB 3.83Å; T248-L281 HydrophobicContact CG2-CD1 4.18Å; T248-L282 HydrophobicContact CG2-CD2 3.98Å; T248-L282 HydrophobicContact CG2-CG 4.06Å
249	R	97.3	Very high	93.8	Very high	126 Å²	126	55.1 Å²	55.1	48%	0.475	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-47.5	-179.1	-179	-178	57.1	70.6	4.9	111.6	E245 T246 I247 Y252 E253	E245-R249 WeakPolarHBondContact O-CB 3.26Å; E245-R249 PolarHBondContact O-N 2.9Å; T246-R249 PolarHBondContact O-N 3.35Å; I247-R249 PolarHBondContact O-N 3.48Å; R249-Y252 PolarHBondContact O-N 3Å; R249-E253 VanDerWaalsContact CG-OE1 3.28Å; R249-E253 WeakPolarHBondContact CG-OE1 3.18Å; R249-E253 IonicContact CZ-OE1 2.65Å; R249-E253 IonicContact NH1-OE1 3.76Å; R249-E253 PolarHBondContact NH1-OE1 3.5Å; R249-E253 IonicContact NH1-OE2 2.95Å; R249-E253 PolarHBondContact NH1-OE2 3.35Å; R249-E253 WeakPolarHBondContact O-CG 3.28Å; R249-E253 PolarHBondContact O-N 3.47Å
250	V	97.5	Very high	94.2	Very high	9 Å²	9	52.2 Å²	52.2	6%	0.055	26%	0.259	C	S	.	.	H	α-helix	trans	-70.5	-37.3	-176.5	179.4	0	0	0	0	111.7	K234 F236 T246 I247 E253 T254	K234-V250 HydrophobicContact CD-CG1 3.85Å; F236-V250 HydrophobicContact CB-CG1 4.14Å; F236-V250 HydrophobicContact CD1-CB 4.23Å; F236-V250 HydrophobicContact CD1-CG1 3.39Å; F236-V250 HydrophobicContact CD2-CB 3.97Å; F236-V250 HydrophobicContact CD2-CG1 3.88Å; F236-V250 HydrophobicContact CD2-CG2 3.93Å; F236-V250 HydrophobicContact CE1-CB 4.08Å; F236-V250 HydrophobicContact CE1-CG1 3.58Å; F236-V250 HydrophobicContact CE2-CB 3.8Å; F236-V250 HydrophobicContact CE2-CG1 4.04Å; F236-V250 HydrophobicContact CE2-CG2 4.08Å; F236-V250 HydrophobicContact CG-CB 4.17Å; F236-V250 HydrophobicContact CG-CG1 3.54Å; F236-V250 HydrophobicContact CG-CG2 4.34Å; F236-V250 HydrophobicContact CZ-CB 3.86Å; F236-V250 HydrophobicContact CZ-CG1 3.9Å; T246-V250 HydrophobicContact CG2-CG2 4.43Å; T246-V250 WeakPolarHBondContact O-CG2 3.46Å; T246-V250 PolarHBondContact O-N 3.43Å; I247-V250 PolarHBondContact O-N 3.39Å; V250-E253 PolarHBondContact O-N 3.2Å; V250-T254 VanDerWaalsContact O-CB 3.31Å; V250-T254 WeakPolarHBondContact O-CB 3.35Å; V250-T254 PolarHBondContact O-N 2.99Å; V250-T254 PolarHBondContact O-OG1 2.73Å
251	L	97.9	Very high	94.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-46.1	172.2	-75.4	179.7	0	0	0	111.2	I196 V213 I247 T248 T254 F255 I275 L282	I196-L251 HydrophobicContact CD1-CD2 4.39Å; V213-L251 HydrophobicContact CB-CD2 4.43Å; V213-L251 HydrophobicContact CG1-CD2 3.94Å; V213-L251 HydrophobicContact CG2-CD2 3.57Å; I247-L251 HydrophobicContact CG2-CD1 3.76Å; I247-L251 HydrophobicContact CG2-CG 4.2Å; I247-L251 WeakPolarHBondContact O-CB 3.49Å; I247-L251 WeakPolarHBondContact O-CG 3.4Å; I247-L251 PolarHBondContact O-N 3.35Å; T248-L251 PolarHBondContact O-N 2.95Å; L251-T254 WeakPolarHBondContact O-CB 3.48Å; L251-T254 PolarHBondContact O-N 3.42Å; L251-F255 HydrophobicContact CB-CE1 4.41Å; L251-F255 HydrophobicContact CB-CZ 4.14Å; L251-F255 HydrophobicContact CD2-CE1 4.29Å; L251-F255 HydrophobicContact CD2-CZ 4.42Å; L251-F255 WeakPolarHBondContact O-CD1 3.48Å; L251-F255 WeakPolarHBondContact O-CG 3.21Å; L251-F255 PolarHBondContact O-N 3.45Å; L251-I275 HydrophobicContact CD1-CD1 4.43Å; L251-L282 HydrophobicContact CB-CD1 3.5Å; L251-L282 VanDerWaalsContact CB-CD1 3.5Å; L251-L282 HydrophobicContact CD1-CD1 3.91Å; L251-L282 HydrophobicContact CG-CD1 4.38Å
252	Y	98.1	Very high	95.3	Very high	136 Å²	136	48.8 Å²	48.8	53%	0.533	25%	0.249	S	C	.	.	H	α-helix	trans	-57.7	-50.6	175.4	-179.7	-100.8	0	0	0	112.1	T248 R249 T254 F255 I256 L282	T248-Y252 WeakPolarHBondContact O-CB 3.48Å; T248-Y252 PolarHBondContact O-N 2.94Å; R249-Y252 PolarHBondContact O-N 3Å; Y252-T254 VanDerWaalsContact C-N 3.29Å; Y252-T254 PolarHBondContact O-N 3.31Å; Y252-F255 PolarHBondContact O-N 3.28Å; Y252-I256 HydrophobicContact CD1-CG1 4.47Å; Y252-I256 HydrophobicContact CE1-CG1 4.08Å; Y252-I256 HydrophobicContact CE2-CD1 4.43Å; Y252-I256 HydrophobicContact CE2-CG1 4.35Å; Y252-I256 WeakPolarHBondContact O-CG1 3.33Å; Y252-I256 PolarHBondContact O-N 2.84Å; Y252-I256 VanDerWaalsContact O-N 3.09Å; Y252-L282 HydrophobicContact CD2-CD2 4.16Å; Y252-L282 HydrophobicContact CG-CD2 4.46Å
253	E	98.2	Very high	96	Very high	80 Å²	80	45 Å²	45	37%	0.374	23%	0.227	S	C	.	.	H	α-helix	trans	-56.4	-44.3	176.4	-73.8	168.1	-169.2	0	0	111.3	R249 V250 I256 E257	R249-E253 VanDerWaalsContact CG-OE1 3.28Å; R249-E253 WeakPolarHBondContact CG-OE1 3.18Å; R249-E253 IonicContact CZ-OE1 2.65Å; R249-E253 IonicContact NH1-OE1 3.76Å; R249-E253 PolarHBondContact NH1-OE1 3.5Å; R249-E253 IonicContact NH1-OE2 2.95Å; R249-E253 PolarHBondContact NH1-OE2 3.35Å; R249-E253 WeakPolarHBondContact O-CG 3.28Å; R249-E253 PolarHBondContact O-N 3.47Å; V250-E253 PolarHBondContact O-N 3.2Å; E253-I256 PolarHBondContact O-N 3.47Å; E253-E257 VanDerWaalsContact O-CB 3.28Å; E253-E257 WeakPolarHBondContact O-CB 3.3Å; E253-E257 PolarHBondContact O-N 3.37Å
254	T	98.1	Very high	96.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-44.5	177.7	-55.8	0	0	0	0	110.8	L233 K234 V250 L251 Y252 I256 E257 W258	L233-T254 HydrophobicContact CB-CG2 3.92Å; L233-T254 HydrophobicContact CD1-CG2 4.08Å; K234-T254 HydrophobicContact CB-CG2 4.29Å; K234-T254 VanDerWaalsContact CD-OG1 3.29Å; K234-T254 WeakPolarHBondContact CD-OG1 3.37Å; V250-T254 VanDerWaalsContact O-CB 3.31Å; V250-T254 WeakPolarHBondContact O-CB 3.35Å; V250-T254 PolarHBondContact O-N 2.99Å; V250-T254 PolarHBondContact O-OG1 2.73Å; L251-T254 WeakPolarHBondContact O-CB 3.48Å; L251-T254 PolarHBondContact O-N 3.42Å; Y252-T254 VanDerWaalsContact C-N 3.29Å; Y252-T254 PolarHBondContact O-N 3.31Å; T254-I256 VanDerWaalsContact C-N 3.3Å; T254-I256 PolarHBondContact O-N 3.22Å; T254-E257 PolarHBondContact O-N 2.97Å; T254-W258 WeakPolarHBondContact O-CB 3.21Å; T254-W258 PolarHBondContact O-N 3Å
255	F	97.6	Very high	96.6	Very high	9 Å²	9	45.4 Å²	45.4	4%	0.039	23%	0.228	C	C	.	.	H	α-helix	trans	-63.7	-37.3	-179.5	-64	-8.6	0	0	0	112.8	I196 L251 Y252 G259 I260 N261 V264 L282 I284	I196-F255 HydrophobicContact CD1-CE1 3.81Å; I196-F255 HydrophobicContact CD1-CZ 3.56Å; I196-F255 HydrophobicContact CG2-CE1 4.16Å; L251-F255 HydrophobicContact CB-CE1 4.41Å; L251-F255 HydrophobicContact CB-CZ 4.14Å; L251-F255 HydrophobicContact CD2-CE1 4.29Å; L251-F255 HydrophobicContact CD2-CZ 4.42Å; L251-F255 WeakPolarHBondContact O-CD1 3.48Å; L251-F255 WeakPolarHBondContact O-CG 3.21Å; L251-F255 PolarHBondContact O-N 3.45Å; Y252-F255 PolarHBondContact O-N 3.28Å; F255-G259 PolarHBondContact O-N 3.18Å; F255-G259 VanDerWaalsContact O-N 3.15Å; F255-I260 HydrophobicContact CB-CG1 4.12Å; F255-I260 HydrophobicContact CD1-CD1 3.92Å; F255-I260 HydrophobicContact CD1-CG1 4.08Å; F255-I260 HydrophobicContact CG-CG1 4.36Å; F255-I260 PolarHBondContact O-N 3.48Å; F255-N261 HydrophobicContact CB-CB 3.88Å; F255-N261 PolarHBondContact O-N 3.21Å; F255-V264 HydrophobicContact CD1-CG2 4.2Å; F255-V264 HydrophobicContact CD2-CG2 4.43Å; F255-V264 HydrophobicContact CE1-CG2 4.14Å; F255-V264 HydrophobicContact CE2-CG2 4.35Å; F255-V264 HydrophobicContact CG-CG2 4.38Å; F255-V264 HydrophobicContact CZ-CG1 4.43Å; F255-V264 HydrophobicContact CZ-CG2 4.24Å; F255-L282 HydrophobicContact CE2-CD1 3.97Å; F255-L282 HydrophobicContact CZ-CD1 4.4Å; F255-I284 HydrophobicContact CE2-CD1 4.19Å; F255-I284 HydrophobicContact CZ-CD1 4.08Å
256	I	97.5	Very high	96.7	Very high	82 Å²	82	41.4 Å²	41.4	42%	0.421	21%	0.209	S	C	.	.	H	α-helix	trans	-70.5	-47.6	175.7	-62.3	-64.6	0	0	0	110.5	Y252 E253 T254 W258 G259 N261	Y252-I256 HydrophobicContact CD1-CG1 4.47Å; Y252-I256 HydrophobicContact CE1-CG1 4.08Å; Y252-I256 HydrophobicContact CE2-CD1 4.43Å; Y252-I256 HydrophobicContact CE2-CG1 4.35Å; Y252-I256 WeakPolarHBondContact O-CG1 3.33Å; Y252-I256 PolarHBondContact O-N 2.84Å; Y252-I256 VanDerWaalsContact O-N 3.09Å; E253-I256 PolarHBondContact O-N 3.47Å; T254-I256 VanDerWaalsContact C-N 3.3Å; T254-I256 PolarHBondContact O-N 3.22Å; I256-W258 VanDerWaalsContact C-N 3.26Å; I256-W258 PolarHBondContact O-N 3.02Å; I256-G259 PolarHBondContact O-N 3.12Å; I256-G259 VanDerWaalsContact O-N 3.12Å; I256-N261 HydrophobicContact CD1-CB 3.85Å
257	E	96.8	Very high	96.8	Very high	76 Å²	76	40.4 Å²	40.4	36%	0.355	20%	0.203	S	C	.	.	H	α-helix	trans	-57.1	-40.2	-178.9	-176.2	-177.6	170.3	0	0	112.2	R181 K234 E253 T254	R181-E257 IonicContact CZ-OE1 3.36Å; R181-E257 IonicContact NE-OE1 2.75Å; R181-E257 PolarHBondContact NE-OE1 3.01Å; R181-E257 VanDerWaalsContact NH2-CG 3.3Å; R181-E257 IonicContact NH2-OE1 3.01Å; R181-E257 PolarHBondContact NH2-OE1 3.49Å; K234-E257 IonicContact NZ-OE2 3.07Å; E253-E257 VanDerWaalsContact O-CB 3.28Å; E253-E257 WeakPolarHBondContact O-CB 3.3Å; E253-E257 PolarHBondContact O-N 3.37Å; T254-E257 PolarHBondContact O-N 2.97Å
258	W	97.6	Very high	96.8	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.015	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-0.6	-178.7	-68.6	98.6	0	0	0	113.9	R181 V184 L185 L188 L233 T254 I256 I260 F645	R181-W258 HydrophobicContact CB-CH2 4.33Å; R181-W258 HydrophobicContact CG-CH2 3.59Å; R181-W258 HydrophobicContact CG-CZ2 4.18Å; R181-W258 HydrophobicContact CG-CZ3 4.1Å; V184-W258 HydrophobicContact CB-CH2 4.08Å; V184-W258 HydrophobicContact CB-CZ3 3.7Å; V184-W258 HydrophobicContact CG1-CE3 4.09Å; V184-W258 HydrophobicContact CG1-CH2 3.92Å; V184-W258 HydrophobicContact CG1-CZ3 3.44Å; V184-W258 VanDerWaalsContact CG1-CZ3 3.44Å; L185-W258 HydrophobicContact CB-CZ3 4.34Å; L185-W258 HydrophobicContact CD1-CE3 4.05Å; L188-W258 HydrophobicContact CD1-CB 4.23Å; L188-W258 HydrophobicContact CD1-CD2 4.43Å; L188-W258 HydrophobicContact CD1-CE3 3.85Å; L233-W258 HydrophobicContact CD1-CB 4.36Å; L233-W258 HydrophobicContact CD1-CG 4.06Å; L233-W258 HydrophobicContact CD2-CD2 3.72Å; L233-W258 HydrophobicContact CD2-CE3 4.05Å; L233-W258 HydrophobicContact CD2-CG 4.08Å; L233-W258 HydrophobicContact CD2-CH2 4.32Å; L233-W258 HydrophobicContact CD2-CZ2 4.06Å; L233-W258 HydrophobicContact CD2-CZ3 4.35Å; L233-W258 HydrophobicContact CG-CG 4.5Å; L233-W258 PolarHBondContact O-NE1 3.28Å; T254-W258 WeakPolarHBondContact O-CB 3.21Å; T254-W258 PolarHBondContact O-N 3Å; I256-W258 VanDerWaalsContact C-N 3.26Å; I256-W258 PolarHBondContact O-N 3.02Å; W258-I260 VanDerWaalsContact C-N 3.33Å; W258-I260 HydrophobicContact CB-CG1 4.31Å; W258-I260 HydrophobicContact CB-CG2 4.45Å; W258-I260 PolarHBondContact O-N 3.04Å; W258-F645 AromaticContact CH2-CE2 3.56Å; W258-F645 HydrophobicContact CH2-CE2 3.56Å; W258-F645 AromaticContact CH2-CZ 3.83Å; W258-F645 HydrophobicContact CH2-CZ 3.83Å; W258-F645 HydrophobicContact CZ2-CD2 4.47Å; W258-F645 AromaticContact CZ2-CE2 3.64Å; W258-F645 HydrophobicContact CZ2-CE2 3.64Å; W258-F645 HydrophobicContact CZ2-CZ 4.31Å
259	G	96.2	Very high	96.8	Very high	38 Å²	38	39.2 Å²	39.2	39%	0.392	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	30.7	178.6	0	0	0	0	0	114.4	F255 I256 K263	F255-G259 PolarHBondContact O-N 3.18Å; F255-G259 VanDerWaalsContact O-N 3.15Å; I256-G259 PolarHBondContact O-N 3.12Å; I256-G259 VanDerWaalsContact O-N 3.12Å; G259-K263 WeakPolarHBondContact O-CE 3.31Å
260	I	96.8	Very high	96.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.			trans	-111.7	1.2	-176.7	64.2	171.3	0	0	0	113.9	L188 V215 L233 F255 W258 T262 K263 V264	L188-I260 HydrophobicContact CB-CG2 4.35Å; L188-I260 HydrophobicContact CD1-CG2 4.14Å; L188-I260 HydrophobicContact CD2-CG2 4.45Å; V215-I260 HydrophobicContact CG2-CD1 4.22Å; L233-I260 HydrophobicContact CD1-CD1 3.69Å; F255-I260 HydrophobicContact CB-CG1 4.12Å; F255-I260 HydrophobicContact CD1-CD1 3.92Å; F255-I260 HydrophobicContact CD1-CG1 4.08Å; F255-I260 HydrophobicContact CG-CG1 4.36Å; F255-I260 PolarHBondContact O-N 3.48Å; W258-I260 VanDerWaalsContact C-N 3.33Å; W258-I260 HydrophobicContact CB-CG1 4.31Å; W258-I260 HydrophobicContact CB-CG2 4.45Å; W258-I260 PolarHBondContact O-N 3.04Å; I260-T262 PolarHBondContact O-N 2.83Å; I260-T262 VanDerWaalsContact O-N 3.08Å; I260-K263 HydrophobicContact CB-CB 4.4Å; I260-K263 HydrophobicContact CG2-CD 4.44Å; I260-K263 WeakPolarHBondContact O-CA 3.35Å; I260-K263 WeakPolarHBondContact O-CB 3.28Å; I260-K263 PolarHBondContact O-N 3.34Å; I260-V264 HydrophobicContact CB-CG2 4.38Å; I260-V264 HydrophobicContact CD1-CG2 3.98Å; I260-V264 HydrophobicContact CG1-CG2 4.13Å; I260-V264 WeakPolarHBondContact O-CG2 2.96Å; I260-V264 PolarHBondContact O-N 3.24Å; I260-V264 VanDerWaalsContact O-N 3.11Å
261	N	94.9	Very high	96	Very high	80 Å²	80	38.6 Å²	38.6	43%	0.428	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-30.5	-175.3	67.6	-60.9	0	0	0	115	F255 I256	F255-N261 HydrophobicContact CB-CB 3.88Å; F255-N261 PolarHBondContact O-N 3.21Å; I256-N261 HydrophobicContact CD1-CB 3.85Å
262	T	92.8	Very high	95.6	Very high	114 Å²	114	40 Å²	40	70%	0.699	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	0.6	175.2	63.7	0	0	0	0	113.6	I260	I260-T262 PolarHBondContact O-N 2.83Å; I260-T262 VanDerWaalsContact O-N 3.08Å
263	K	95.2	Very high	95.4	Very high	31 Å²	31	42.5 Å²	42.5	14%	0.135	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-21.7	-173.1	-54.6	-177	178.9	-157.8	0	112.8	L188 T189 V191 C194 G259 I260 F265	L188-K263 PolarHBondContact O-NZ 2.9Å; T189-K263 PolarHBondContact O-NZ 3.48Å; V191-K263 VanDerWaalsContact O-CD 3.28Å; V191-K263 WeakPolarHBondContact O-CD 3.44Å; V191-K263 VanDerWaalsContact O-CE 3.3Å; V191-K263 WeakPolarHBondContact O-CE 3.29Å; V191-K263 PolarHBondContact O-NZ 2.94Å; C194-K263 PolarHBondContact N-O 3.2Å; G259-K263 WeakPolarHBondContact O-CE 3.31Å; I260-K263 HydrophobicContact CB-CB 4.4Å; I260-K263 HydrophobicContact CG2-CD 4.44Å; I260-K263 WeakPolarHBondContact O-CA 3.35Å; I260-K263 WeakPolarHBondContact O-CB 3.28Å; I260-K263 PolarHBondContact O-N 3.34Å; K263-F265 PolarHBondContact O-N 2.77Å
264	V	97.3	Very high	95.2	Very high	16 Å²	16	42.1 Å²	42.1	10%	0.097	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	114.4	178.9	176.7	0	0	0	0	109.6	C194 I196 F255 I260 I284	C194-V264 CarbonylContact O-C 3.49Å; C194-V264 WeakPolarHBondContact O-CA 3.12Å; I196-V264 HydrophobicContact CG1-CG1 4.44Å; I196-V264 HydrophobicContact CG2-CG1 4.24Å; I196-V264 HydrophobicContact CG2-CG2 3.98Å; F255-V264 HydrophobicContact CD1-CG2 4.2Å; F255-V264 HydrophobicContact CD2-CG2 4.43Å; F255-V264 HydrophobicContact CE1-CG2 4.14Å; F255-V264 HydrophobicContact CE2-CG2 4.35Å; F255-V264 HydrophobicContact CG-CG2 4.38Å; F255-V264 HydrophobicContact CZ-CG1 4.43Å; F255-V264 HydrophobicContact CZ-CG2 4.24Å; I260-V264 HydrophobicContact CB-CG2 4.38Å; I260-V264 HydrophobicContact CD1-CG2 3.98Å; I260-V264 HydrophobicContact CG1-CG2 4.13Å; I260-V264 WeakPolarHBondContact O-CG2 2.96Å; I260-V264 PolarHBondContact O-N 3.24Å; I260-V264 VanDerWaalsContact O-N 3.11Å; V264-I284 HydrophobicContact CG1-CD1 4.3Å; V264-I284 HydrophobicContact CG1-CG1 4.35Å; V264-I284 HydrophobicContact CG1-CG2 4.33Å
265	F	95.7	Very high	94.9	Very high	22 Å²	22	42.5 Å²	42.5	10%	0.096	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-24.5	178.6	-170.1	-116.2	0	0	0	113.2	W193 C194 K263 P285 V286 F468 K606 I610	W193-F265 HydrophobicContact CE3-CB 3.88Å; W193-F265 HydrophobicContact CE3-CD2 4.2Å; W193-F265 HydrophobicContact CE3-CG 4.23Å; W193-F265 HydrophobicContact CZ3-CB 4.39Å; W193-F265 AromaticContact CZ3-CD2 3.93Å; W193-F265 HydrophobicContact CZ3-CD2 3.93Å; W193-F265 HydrophobicContact CZ3-CG 4.43Å; C194-F265 PolarHBondContact O-N 2.97Å; K263-F265 PolarHBondContact O-N 2.77Å; F265-P285 HydrophobicContact CD2-CB 4.17Å; F265-P285 HydrophobicContact CD2-CG 4.04Å; F265-P285 HydrophobicContact CE2-CB 3.89Å; F265-P285 HydrophobicContact CE2-CG 4.14Å; F265-P285 HydrophobicContact CZ-CB 4.5Å; F265-P285 WeakPolarHBondContact O-CD 3.29Å; F265-V286 HydrophobicContact CD1-CG2 4.33Å; F265-V286 HydrophobicContact CE1-CG2 3.82Å; F265-V286 HydrophobicContact CZ-CG2 4.05Å; F265-V286 PolarHBondContact O-N 3.01Å; F265-V286 VanDerWaalsContact O-N 3.14Å; F265-F468 HydrophobicContact CD1-CE2 4.33Å; F265-F468 HydrophobicContact CE1-CD2 4.35Å; F265-F468 AromaticContact CE1-CE2 3.86Å; F265-F468 HydrophobicContact CE1-CE2 3.86Å; F265-K606 HydrophobicContact CD1-CD 4.45Å; F265-K606 HydrophobicContact CD1-CG 3.7Å; F265-K606 WeakPolarHBondContact CD1-O 3.25Å; F265-K606 VanDerWaalsContact CD2-CE 3.5Å; F265-K606 HydrophobicContact CD2-CG 4.47Å; F265-K606 HydrophobicContact CE1-CD 4.28Å; F265-K606 VanDerWaalsContact CE1-CE 3.42Å; F265-K606 HydrophobicContact CE1-CG 3.9Å; F265-K606 HydrophobicContact CE2-CD 4.5Å; F265-K606 HydrophobicContact CG-CG 4.03Å; F265-K606 HydrophobicContact CZ-CD 4.35Å; F265-K606 HydrophobicContact CZ-CG 4.42Å; F265-I610 HydrophobicContact CD1-CD1 3.95Å
266	G	96.5	Very high	94.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	166.7	175.6	0	0	0	0	0	114	G195 I196 V286	G195-G266 CarbonylContact C-O 2.96Å; G195-G266 VanDerWaalsContact CA-O 3.24Å; G195-G266 WeakPolarHBondContact CA-O 3.37Å; I196-G266 PolarHBondContact N-O 2.85Å; G266-V286 CarbonylContact C-O 3.37Å; G266-V286 WeakPolarHBondContact CA-O 3.02Å
267	A	97.3	Very high	94.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	123.7	179.9	0	0	0	0	0	110.6	I196 T269 I284 V286 M288	I196-A267 HydrophobicContact CD1-CB 3.92Å; I196-A267 HydrophobicContact CG1-CB 3.52Å; I196-A267 CarbonylContact O-C 3.58Å; I196-A267 VanDerWaalsContact O-CA 3.3Å; I196-A267 WeakPolarHBondContact O-CA 3.28Å; A267-T269 HydrophobicContact CB-CG2 4.06Å; A267-I284 HydrophobicContact CB-CD1 4.15Å; A267-I284 HydrophobicContact CB-CG2 4.06Å; A267-V286 PolarHBondContact N-O 2.78Å; A267-M288 PolarHBondContact O-N 2.75Å
268	T	97.4	Very high	94.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	114.9	171.1	-53.7	0	0	0	0	110	I196 S197 T198 M288 C290 I610 L611 R614	I196-T268 PolarHBondContact O-N 3.22Å; S197-T268 VanDerWaalsContact CA-O 3.25Å; S197-T268 WeakPolarHBondContact CA-O 3.32Å; T198-T268 PolarHBondContact N-O 3.32Å; T198-T268 VanDerWaalsContact N-O 3.17Å; T268-M288 VanDerWaalsContact CA-O 3.29Å; T268-M288 WeakPolarHBondContact CA-O 3.37Å; T268-C290 HydrophobicContact CG2-CB 4.28Å; T268-I610 WeakPolarHBondContact OG1-CG2 3.31Å; T268-L611 VanDerWaalsContact CG2-O 3.26Å; T268-L611 WeakPolarHBondContact CG2-O 3.37Å; T268-L611 PolarHBondContact OG1-O 3.1Å; T268-R614 HydrophobicContact CG2-CB 4.47Å
269	T	95.4	Very high	94.4	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	170.8	-171.2	74	0	0	0	0	111.5	T198 A267 Y271 I275 M288 C290	T198-T269 WeakPolarHBondContact OG1-CG2 3.49Å; A267-T269 HydrophobicContact CB-CG2 4.06Å; T269-Y271 PolarHBondContact O-N 3.23Å; T269-Y271 PolarHBondContact OG1-N 2.87Å; T269-I275 HydrophobicContact CG2-CG1 3.83Å; T269-I275 HydrophobicContact CG2-CG2 4.29Å; T269-M288 PolarHBondContact N-O 3.4Å; T269-C290 WeakPolarHBondContact O-CB 3.43Å; T269-C290 PolarHBondContact O-N 2.76Å
270	D	90.1	Very high	94.4	Very high	19 Å²	19	41.4 Å²	41.4	10%	0.102	22%	0.216	C	C	.	.			trans	-73.7	3.3	167.3	56	17.9	0	0	0	113.2	G272 H293 R614	D270-G272 PolarHBondContact O-N 3.38Å; D270-G272 PolarHBondContact OD1-N 3.13Å; D270-H293 PolarHBondContact O-CD2 3.03Å; D270-H293 PolarHBondContact O-NE2 3.48Å; D270-R614 IonicContact OD2-NH1 3.05Å; D270-R614 PolarHBondContact OD2-NH1 3.12Å; D270-R614 VanDerWaalsContact OD2-NH1 3.12Å
271	Y	89	Confident	94.3	Very high	103 Å²	103	46.2 Å²	46.2	40%	0.404	24%	0.241	S	C	.	.			trans	61.6	23.9	-179.9	-139.2	-109.1	0	0	0	113.8	T269 V276 Q287 P289	T269-Y271 PolarHBondContact O-N 3.23Å; T269-Y271 PolarHBondContact OG1-N 2.87Å; Y271-V276 HydrophobicContact CD1-CG2 4.21Å; Y271-V276 HydrophobicContact CD2-CG2 3.88Å; Y271-V276 HydrophobicContact CE1-CG2 4.44Å; Y271-V276 HydrophobicContact CE2-CG2 4.12Å; Y271-V276 HydrophobicContact CG-CG2 3.94Å; Y271-Q287 HydrophobicContact CE2-CB 4.39Å; Y271-P289 HydrophobicContact CD2-CB 4.09Å; Y271-P289 HydrophobicContact CD2-CG 3.72Å; Y271-P289 HydrophobicContact CE2-CG 3.8Å; Y271-P289 HydrophobicContact CG-CB 4.34Å; Y271-P289 HydrophobicContact CG-CG 4.24Å
272	G	90.1	Very high	94.4	Very high	29 Å²	29	44 Å²	44	30%	0.299	23%	0.229	S	C	.	.			trans	-59.8	148.1	171.2	0	0	0	0	0	112.4	D270 D274 I275 V276	D270-G272 PolarHBondContact O-N 3.38Å; D270-G272 PolarHBondContact OD1-N 3.13Å; G272-D274 VanDerWaalsContact C-N 3.27Å; G272-D274 PolarHBondContact O-N 3Å; G272-I275 VanDerWaalsContact O-CG2 3.26Å; G272-I275 WeakPolarHBondContact O-CG2 3.41Å; G272-I275 PolarHBondContact O-N 3.32Å; G272-V276 WeakPolarHBondContact O-CB 3.27Å; G272-V276 VanDerWaalsContact O-CG2 3.3Å; G272-V276 WeakPolarHBondContact O-CG2 3.29Å; G272-V276 PolarHBondContact O-N 2.98Å
273	K	92.4	Very high	94.5	Very high	189 Å²	189	45.4 Å²	45.4	82%	0.822	23%	0.232	S	C	*	.	H	α-helix	trans	-55.3	-41.7	-174.9	-65.1	179.7	-178	176.2	0	113	K277	K273-K277 WeakPolarHBondContact O-CB 3.32Å; K273-K277 PolarHBondContact O-N 2.87Å
274	D	93.7	Very high	94.6	Very high	71 Å²	71	44.4 Å²	44.4	38%	0.38	23%	0.228	S	C	.	.	H	α-helix	trans	-72.6	-40.6	-176.8	-62.8	-55.2	0	0	0	112.9	T243 A244 I247 G272 K277 A278	T243-D274 HydrophobicContact CG2-CB 3.67Å; A244-D274 HydrophobicContact CB-CB 4.01Å; I247-D274 HydrophobicContact CD1-CB 4.23Å; G272-D274 VanDerWaalsContact C-N 3.27Å; G272-D274 PolarHBondContact O-N 3Å; D274-K277 PolarHBondContact O-N 3.4Å; D274-A278 WeakPolarHBondContact O-CB 3.22Å; D274-A278 PolarHBondContact O-N 2.97Å
275	I	93.4	Very high	94.4	Very high	9 Å²	9	47.1 Å²	47.1	5%	0.046	25%	0.246	C	C	.	.	H	α-helix	trans	-70	-39.3	177.4	-161.9	80.5	0	0	0	110.9	T198 I247 L251 T269 G272 K277 A278 C279	T198-I275 HydrophobicContact CG2-CD1 3.78Å; T198-I275 HydrophobicContact CG2-CG1 4.34Å; I247-I275 HydrophobicContact CD1-CD1 4.35Å; I247-I275 HydrophobicContact CG2-CD1 3.43Å; I247-I275 VanDerWaalsContact CG2-CD1 3.43Å; L251-I275 HydrophobicContact CD1-CD1 4.43Å; T269-I275 HydrophobicContact CG2-CG1 3.83Å; T269-I275 HydrophobicContact CG2-CG2 4.29Å; G272-I275 VanDerWaalsContact O-CG2 3.26Å; G272-I275 WeakPolarHBondContact O-CG2 3.41Å; G272-I275 PolarHBondContact O-N 3.32Å; I275-K277 PolarHBondContact O-N 3.37Å; I275-A278 PolarHBondContact O-N 3.11Å; I275-C279 WeakPolarHBondContact O-CB 3.27Å; I275-C279 PolarHBondContact O-N 2.89Å; I275-C279 PolarHBondContact O-SG 2.91Å
276	V	92.9	Very high	94.4	Very high	32 Å²	32	47 Å²	47	19%	0.194	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-44.1	174.3	167.9	0	0	0	0	110.7	Y271 G272 A278 C279 S280 Q287	Y271-V276 HydrophobicContact CD1-CG2 4.21Å; Y271-V276 HydrophobicContact CD2-CG2 3.88Å; Y271-V276 HydrophobicContact CE1-CG2 4.44Å; Y271-V276 HydrophobicContact CE2-CG2 4.12Å; Y271-V276 HydrophobicContact CG-CG2 3.94Å; G272-V276 WeakPolarHBondContact O-CB 3.27Å; G272-V276 VanDerWaalsContact O-CG2 3.3Å; G272-V276 WeakPolarHBondContact O-CG2 3.29Å; G272-V276 PolarHBondContact O-N 2.98Å; V276-A278 VanDerWaalsContact C-N 3.34Å; V276-A278 PolarHBondContact O-N 2.93Å; V276-C279 PolarHBondContact O-N 2.83Å; V276-S280 WeakPolarHBondContact O-CB 3.46Å; V276-S280 PolarHBondContact O-N 3.04Å; V276-S280 PolarHBondContact O-OG 3.33Å; V276-Q287 PolarHBondContact O-OE1 3.25Å
277	K	95	Very high	94.4	Very high	95 Å²	95	48.7 Å²	48.7	41%	0.413	26%	0.255	S	S	.	.	H	α-helix	trans	-60.1	-44.9	173.9	-176.4	179.4	173	-159.3	0	110.9	A244 E245 K273 D274 I275 S280 L281	A244-K277 HydrophobicContact CB-CB 4.23Å; A244-K277 HydrophobicContact CB-CD 3.71Å; A244-K277 HydrophobicContact CB-CG 4.2Å; E245-K277 IonicContact OE1-NZ 3.93Å; E245-K277 PolarHBondContact OE1-NZ 2.66Å; K273-K277 WeakPolarHBondContact O-CB 3.32Å; K273-K277 PolarHBondContact O-N 2.87Å; D274-K277 PolarHBondContact O-N 3.4Å; I275-K277 PolarHBondContact O-N 3.37Å; K277-S280 PolarHBondContact O-N 2.95Å; K277-L281 HydrophobicContact CG-CD1 4.22Å; K277-L281 WeakPolarHBondContact O-CG 3.2Å; K277-L281 PolarHBondContact O-N 2.87Å
278	A	95.8	Very high	94.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.6	-46.3	178.8	0	0	0	0	0	113.1	I247 T248 D274 I275 V276 S280 L281 L282	I247-A278 HydrophobicContact CB-CB 4.08Å; I247-A278 HydrophobicContact CG2-CB 3.47Å; I247-A278 VanDerWaalsContact CG2-CB 3.47Å; T248-A278 VanDerWaalsContact OG1-CA 3.26Å; T248-A278 WeakPolarHBondContact OG1-CA 3.26Å; T248-A278 VanDerWaalsContact OG1-CB 3.26Å; T248-A278 WeakPolarHBondContact OG1-CB 3.37Å; D274-A278 WeakPolarHBondContact O-CB 3.22Å; D274-A278 PolarHBondContact O-N 2.97Å; I275-A278 PolarHBondContact O-N 3.11Å; V276-A278 VanDerWaalsContact C-N 3.34Å; V276-A278 PolarHBondContact O-N 2.93Å; A278-S280 VanDerWaalsContact C-N 3.25Å; A278-S280 PolarHBondContact O-N 2.85Å; A278-L281 PolarHBondContact O-N 2.81Å; A278-L282 WeakPolarHBondContact O-CG 3.27Å; A278-L282 PolarHBondContact O-N 3.11Å; A278-L282 VanDerWaalsContact O-N 3.09Å
279	C	95.3	Very high	94.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.1	-38.8	175.3	-69.5	0	0	0	0	111.9	I275 V276 L282 D283 I284 Q287	I275-C279 WeakPolarHBondContact O-CB 3.27Å; I275-C279 PolarHBondContact O-N 2.89Å; I275-C279 PolarHBondContact O-SG 2.91Å; V276-C279 PolarHBondContact O-N 2.83Å; C279-L282 PolarHBondContact O-N 2.89Å; C279-D283 PolarHBondContact O-N 2.91Å; C279-I284 HydrophobicContact CB-CB 4.33Å; C279-I284 HydrophobicContact CB-CD1 4.15Å; C279-I284 PolarHBondContact O-N 2.82Å; C279-Q287 HydrophobicContact CB-CG 3.86Å
280	S	95.1	Very high	94.3	Very high	58 Å²	58	48.9 Å²	48.9	41%	0.406	26%	0.256	S	S	.	.	H	α-helix	trans	-67.4	-40.2	177	-53.9	0	0	0	0	112.1	V276 K277 A278 L282 D283 Q287	V276-S280 WeakPolarHBondContact O-CB 3.46Å; V276-S280 PolarHBondContact O-N 3.04Å; V276-S280 PolarHBondContact O-OG 3.33Å; K277-S280 PolarHBondContact O-N 2.95Å; A278-S280 VanDerWaalsContact C-N 3.25Å; A278-S280 PolarHBondContact O-N 2.85Å; S280-L282 PolarHBondContact O-N 3.41Å; S280-D283 PolarHBondContact O-N 2.82Å; S280-Q287 PolarHBondContact OG-NE2 3.31Å
281	L	96.2	Very high	94.6	Very high	101 Å²	101	48 Å²	48	53%	0.529	25%	0.251	S	S	.	.	H	α-helix	trans	-69.1	-20.3	176.3	-71.5	172.6	0	0	0	113.6	T248 K277 A278	T248-L281 HydrophobicContact CG2-CB 3.83Å; T248-L281 HydrophobicContact CG2-CD1 4.18Å; K277-L281 HydrophobicContact CG-CD1 4.22Å; K277-L281 WeakPolarHBondContact O-CG 3.2Å; K277-L281 PolarHBondContact O-N 2.87Å; A278-L281 PolarHBondContact O-N 2.81Å
282	L	96.3	Very high	94.7	Very high	35 Å²	35	43.1 Å²	43.1	18%	0.183	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	6.7	176.2	-64.4	172.7	0	0	0	112.8	T248 L251 Y252 F255 A278 C279 S280 I284	T248-L282 HydrophobicContact CG2-CD2 3.98Å; T248-L282 HydrophobicContact CG2-CG 4.06Å; L251-L282 HydrophobicContact CB-CD1 3.5Å; L251-L282 VanDerWaalsContact CB-CD1 3.5Å; L251-L282 HydrophobicContact CD1-CD1 3.91Å; L251-L282 HydrophobicContact CG-CD1 4.38Å; Y252-L282 HydrophobicContact CD2-CD2 4.16Å; Y252-L282 HydrophobicContact CG-CD2 4.46Å; F255-L282 HydrophobicContact CE2-CD1 3.97Å; F255-L282 HydrophobicContact CZ-CD1 4.4Å; A278-L282 WeakPolarHBondContact O-CG 3.27Å; A278-L282 PolarHBondContact O-N 3.11Å; A278-L282 VanDerWaalsContact O-N 3.09Å; C279-L282 PolarHBondContact O-N 2.89Å; S280-L282 PolarHBondContact O-N 3.41Å; L282-I284 HydrophobicContact CB-CD1 4.39Å; L282-I284 HydrophobicContact CB-CG1 4.02Å; L282-I284 PolarHBondContact O-N 3.32Å
283	D	95.4	Very high	94.8	Very high	143 Å²	143	45.2 Å²	45.2	77%	0.765	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	36.6	-177.9	-60.6	-48.2	0	0	0	113.1	C279 S280 P285	C279-D283 PolarHBondContact O-N 2.91Å; S280-D283 PolarHBondContact O-N 2.82Å; D283-P285 VanDerWaalsContact O-CD 3.25Å; D283-P285 WeakPolarHBondContact O-CD 3.16Å
284	I	96	Very high	94.9	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.051	20%	0.196	C	C	.	.			trans	-68.3	118.2	177.4	-63.7	-178.3	0	0	0	108.7	I196 F255 V264 A267 C279 L282 V286	I196-I284 HydrophobicContact CD1-CD1 4.02Å; F255-I284 HydrophobicContact CE2-CD1 4.19Å; F255-I284 HydrophobicContact CZ-CD1 4.08Å; V264-I284 HydrophobicContact CG1-CD1 4.3Å; V264-I284 HydrophobicContact CG1-CG1 4.35Å; V264-I284 HydrophobicContact CG1-CG2 4.33Å; A267-I284 HydrophobicContact CB-CD1 4.15Å; A267-I284 HydrophobicContact CB-CG2 4.06Å; C279-I284 HydrophobicContact CB-CB 4.33Å; C279-I284 HydrophobicContact CB-CD1 4.15Å; C279-I284 PolarHBondContact O-N 2.82Å; L282-I284 HydrophobicContact CB-CD1 4.39Å; L282-I284 HydrophobicContact CB-CG1 4.02Å; L282-I284 PolarHBondContact O-N 3.32Å; I284-V286 PolarHBondContact O-N 2.86Å
285	P	93.9	Very high	95	Very high	73 Å²	73	33 Å²	33	47%	0.474	18%	0.178	S	C	.	.	S	Bend	trans	-63.6	-39.1	-168.9	-25.7	33.9	0	0	0	114.6	F265 D283	F265-P285 HydrophobicContact CD2-CB 4.17Å; F265-P285 HydrophobicContact CD2-CG 4.04Å; F265-P285 HydrophobicContact CE2-CB 3.89Å; F265-P285 HydrophobicContact CE2-CG 4.14Å; F265-P285 HydrophobicContact CZ-CB 4.5Å; F265-P285 WeakPolarHBondContact O-CD 3.29Å; D283-P285 VanDerWaalsContact O-CD 3.25Å; D283-P285 WeakPolarHBondContact O-CD 3.16Å
286	V	95.5	Very high	95	Very high	18 Å²	18	34.4 Å²	34.4	11%	0.109	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	114.7	-178.1	-178.8	0	0	0	0	110	F265 G266 A267 I284 M288 F468 I610	F265-V286 HydrophobicContact CD1-CG2 4.33Å; F265-V286 HydrophobicContact CE1-CG2 3.82Å; F265-V286 HydrophobicContact CZ-CG2 4.05Å; F265-V286 PolarHBondContact O-N 3.01Å; F265-V286 VanDerWaalsContact O-N 3.14Å; G266-V286 CarbonylContact C-O 3.37Å; G266-V286 WeakPolarHBondContact CA-O 3.02Å; A267-V286 PolarHBondContact N-O 2.78Å; I284-V286 PolarHBondContact O-N 2.86Å; V286-M288 HydrophobicContact CG1-CE 4.06Å; V286-F468 HydrophobicContact CG1-CD1 4.48Å; V286-F468 HydrophobicContact CG1-CD2 4.14Å; V286-F468 HydrophobicContact CG1-CE2 4.35Å; V286-F468 HydrophobicContact CG1-CG 4.23Å; V286-F468 HydrophobicContact CG2-CD2 3.78Å; V286-F468 HydrophobicContact CG2-CE2 4.04Å; V286-I610 HydrophobicContact CB-CD1 3.98Å; V286-I610 HydrophobicContact CG1-CD1 4.06Å; V286-I610 HydrophobicContact CG2-CD1 4.37Å
287	Q	95.4	Very high	95	Very high	37 Å²	37	33.8 Å²	33.8	17%	0.173	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	95.5	172.2	-59.5	-175.3	36.7	0	0	108.5	Y271 V276 C279 S280 P289	Y271-Q287 HydrophobicContact CE2-CB 4.39Å; V276-Q287 PolarHBondContact O-OE1 3.25Å; C279-Q287 HydrophobicContact CB-CG 3.86Å; S280-Q287 PolarHBondContact OG-NE2 3.31Å; Q287-P289 WeakPolarHBondContact O-CD 3.41Å
288	M	97.1	Very high	95.1	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	120.1	-175.3	-173.1	57.4	59.6	0	0	110.6	A267 T268 T269 V286 I419 Y459 I465 F468 L469 I610	A267-M288 PolarHBondContact O-N 2.75Å; T268-M288 VanDerWaalsContact CA-O 3.29Å; T268-M288 WeakPolarHBondContact CA-O 3.37Å; T269-M288 PolarHBondContact N-O 3.4Å; V286-M288 HydrophobicContact CG1-CE 4.06Å; M288-I419 HydrophobicContact CE-CD1 4.22Å; M288-I419 HydrophobicContact CG-CD1 4.23Å; M288-I419 HydrophobicContact SD-CD1 4.26Å; M288-Y459 HydrophobicContact SD-CE1 4.36Å; M288-I465 HydrophobicContact CE-CG2 4.11Å; M288-I465 HydrophobicContact SD-CG2 4.02Å; M288-F468 HydrophobicContact CE-CD1 3.44Å; M288-F468 VanDerWaalsContact CE-CD1 3.44Å; M288-F468 HydrophobicContact CE-CE1 3.81Å; M288-F468 HydrophobicContact CE-CG 4.29Å; M288-L469 HydrophobicContact CE-CD2 3.85Å; M288-L469 HydrophobicContact CE-CG 4.09Å; M288-L469 HydrophobicContact SD-CD2 4.06Å; M288-L469 HydrophobicContact SD-CG 4.41Å; M288-I610 HydrophobicContact CB-CG2 3.84Å; M288-I610 HydrophobicContact CG-CG2 4.06Å
289	P	96.1	Very high	95.2	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.013	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	138.3	168.7	-18.7	31.5	0	0	0	110.3	Y271 Q287 L291 T458 Y459 I465	Y271-P289 HydrophobicContact CD2-CB 4.09Å; Y271-P289 HydrophobicContact CD2-CG 3.72Å; Y271-P289 HydrophobicContact CE2-CG 3.8Å; Y271-P289 HydrophobicContact CG-CB 4.34Å; Y271-P289 HydrophobicContact CG-CG 4.24Å; Q287-P289 WeakPolarHBondContact O-CD 3.41Å; P289-L291 PolarHBondContact O-N 3.07Å; P289-T458 HydrophobicContact CB-CG2 3.48Å; P289-T458 VanDerWaalsContact CB-CG2 3.48Å; P289-T458 HydrophobicContact CG-CG2 3.56Å; P289-Y459 HydrophobicContact CB-CE1 4.21Å; P289-Y459 HydrophobicContact CG-CE1 4.4Å; P289-Y459 PolarHBondContact O-OH 3.5Å; P289-I465 HydrophobicContact CG-CD1 3.87Å
290	C	95.7	Very high	95.2	Very high	1 Å²	1	32 Å²	32	1%	0.007	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-70.4	119.9	174.5	172.3	0	0	0	0	110.3	T268 T269 G292 H293 T294 R614	T268-C290 HydrophobicContact CG2-CB 4.28Å; T269-C290 WeakPolarHBondContact O-CB 3.43Å; T269-C290 PolarHBondContact O-N 2.76Å; C290-G292 VanDerWaalsContact C-N 3.3Å; C290-G292 PolarHBondContact O-N 2.91Å; C290-H293 HydrophobicContact CB-CB 3.88Å; C290-H293 WeakPolarHBondContact O-CB 3.47Å; C290-H293 PolarHBondContact O-N 2.79Å; C290-T294 PolarHBondContact O-N 3.48Å; C290-T294 PolarHBondContact O-OG1 3.41Å; C290-T294 VanDerWaalsContact O-OG1 3.08Å; C290-R614 HydrophobicContact CB-CB 4.11Å; C290-R614 HydrophobicContact CB-CG 4.27Å; C290-R614 PolarHBondContact SG-N 3.15Å; C290-R614 VanDerWaalsContact SG-N 3.35Å
291	L	95.4	Very high	95.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-55.9	-44.7	-179.4	-173.8	64.7	0	0	0	112.4	P289 H293 T294 F295 M411 V422 L426 Y459 A612	P289-L291 PolarHBondContact O-N 3.07Å; L291-H293 VanDerWaalsContact C-N 3.3Å; L291-H293 PolarHBondContact O-N 3.14Å; L291-T294 PolarHBondContact O-N 3.44Å; L291-F295 HydrophobicContact CD1-CD1 4.06Å; L291-F295 HydrophobicContact CD1-CE1 3.4Å; L291-F295 HydrophobicContact CD1-CZ 3.75Å; L291-F295 HydrophobicContact CD2-CE1 4.4Å; L291-F295 HydrophobicContact CD2-CE2 4.34Å; L291-F295 HydrophobicContact CD2-CZ 3.88Å; L291-F295 HydrophobicContact CG-CD1 4.28Å; L291-F295 HydrophobicContact CG-CE1 3.75Å; L291-F295 HydrophobicContact CG-CE2 4.14Å; L291-F295 HydrophobicContact CG-CZ 3.66Å; L291-F295 WeakPolarHBondContact O-CD1 3.4Å; L291-F295 WeakPolarHBondContact O-CG 3.32Å; L291-F295 PolarHBondContact O-N 2.84Å; L291-M411 HydrophobicContact CD2-CE 4.01Å; L291-M411 HydrophobicContact CD2-SD 3.87Å; L291-V422 HydrophobicContact CD1-CG1 4.32Å; L291-V422 HydrophobicContact CD2-CG2 4.31Å; L291-L426 HydrophobicContact CD1-CD2 4.11Å; L291-Y459 WeakPolarHBondContact CA-OH 3.28Å; L291-Y459 HydrophobicContact CD1-CE2 3.83Å; L291-Y459 PolarHBondContact N-OH 3.36Å; L291-Y459 VanDerWaalsContact N-OH 3.17Å; L291-A612 WeakPolarHBondContact CB-O 3.44Å; L291-A612 PolarHBondContact N-O 3.16Å
292	G	92.8	Very high	95.4	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-33.6	178.6	0	0	0	0	0	113.5	C290 N296	C290-G292 VanDerWaalsContact C-N 3.3Å; C290-G292 PolarHBondContact O-N 2.91Å; G292-N296 PolarHBondContact O-N 2.78Å; G292-N296 VanDerWaalsContact O-N 3.12Å
293	H	92	Very high	95.4	Very high	72 Å²	72	27.6 Å²	27.6	33%	0.333	15%	0.147	S	C	.	.	H	α-helix	trans	-69.4	-43.5	173.5	-174.5	79.4	0	0	0	111.1	D270 C290 L291 F295 N296 A297	D270-H293 PolarHBondContact O-CD2 3.03Å; D270-H293 PolarHBondContact O-NE2 3.48Å; C290-H293 HydrophobicContact CB-CB 3.88Å; C290-H293 WeakPolarHBondContact O-CB 3.47Å; C290-H293 PolarHBondContact O-N 2.79Å; L291-H293 VanDerWaalsContact C-N 3.3Å; L291-H293 PolarHBondContact O-N 3.14Å; H293-F295 VanDerWaalsContact C-N 3.33Å; H293-F295 PolarHBondContact O-N 3.44Å; H293-N296 PolarHBondContact O-N 2.85Å; H293-A297 WeakPolarHBondContact O-CB 3.39Å; H293-A297 PolarHBondContact O-N 2.88Å
294	T	94.9	Very high	95.5	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-40.3	176.9	-42.1	0	0	0	0	111.9	C290 L291 A297 G298 E454 L455 T458 Y459	C290-T294 PolarHBondContact O-N 3.48Å; C290-T294 PolarHBondContact O-OG1 3.41Å; C290-T294 VanDerWaalsContact O-OG1 3.08Å; L291-T294 PolarHBondContact O-N 3.44Å; T294-A297 PolarHBondContact O-N 2.9Å; T294-G298 PolarHBondContact O-N 3.38Å; T294-E454 HydrophobicContact CG2-CG 3.99Å; T294-L455 HydrophobicContact CG2-CD2 3.81Å; T294-T458 HydrophobicContact CG2-CG2 3.91Å; T294-T458 WeakPolarHBondContact CG2-OG1 3.45Å; T294-Y459 HydrophobicContact CG2-CE2 3.86Å; T294-Y459 PolarHBondContact OG1-OH 3.12Å
295	F	94.6	Very high	95.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.3	-50.1	173.5	-73	1.6	0	0	0	110.9	L291 H293 A297 G298 I299 F404 V407 L429 L455	L291-F295 HydrophobicContact CD1-CD1 4.06Å; L291-F295 HydrophobicContact CD1-CE1 3.4Å; L291-F295 HydrophobicContact CD1-CZ 3.75Å; L291-F295 HydrophobicContact CD2-CE1 4.4Å; L291-F295 HydrophobicContact CD2-CE2 4.34Å; L291-F295 HydrophobicContact CD2-CZ 3.88Å; L291-F295 HydrophobicContact CG-CD1 4.28Å; L291-F295 HydrophobicContact CG-CE1 3.75Å; L291-F295 HydrophobicContact CG-CE2 4.14Å; L291-F295 HydrophobicContact CG-CZ 3.66Å; L291-F295 WeakPolarHBondContact O-CD1 3.4Å; L291-F295 WeakPolarHBondContact O-CG 3.32Å; L291-F295 PolarHBondContact O-N 2.84Å; H293-F295 VanDerWaalsContact C-N 3.33Å; H293-F295 PolarHBondContact O-N 3.44Å; F295-A297 PolarHBondContact O-N 3.23Å; F295-G298 PolarHBondContact O-N 3.31Å; F295-I299 WeakPolarHBondContact O-CB 3.26Å; F295-I299 VanDerWaalsContact O-CG1 3.31Å; F295-I299 WeakPolarHBondContact O-CG1 3.27Å; F295-I299 PolarHBondContact O-N 2.88Å; F295-F404 HydrophobicContact CB-CD1 4.45Å; F295-F404 HydrophobicContact CD1-CD1 4.23Å; F295-F404 HydrophobicContact CD1-CE1 4.14Å; F295-F404 AromaticContact CD2-CD1 3.89Å; F295-F404 HydrophobicContact CD2-CD1 3.89Å; F295-F404 HydrophobicContact CE1-CD1 4.41Å; F295-F404 HydrophobicContact CE1-CE1 4.26Å; F295-F404 HydrophobicContact CE2-CD1 4.11Å; F295-F404 AromaticContact CG-CD1 3.94Å; F295-F404 HydrophobicContact CG-CD1 3.94Å; F295-F404 HydrophobicContact CG-CE1 4.28Å; F295-F404 HydrophobicContact CZ-CD1 4.36Å; F295-V407 HydrophobicContact CE2-CB 4.43Å; F295-V407 HydrophobicContact CE2-CG1 3.85Å; F295-V407 HydrophobicContact CZ-CG1 4.22Å; F295-L429 HydrophobicContact CE1-CD1 3.82Å; F295-L429 HydrophobicContact CE2-CD1 4.31Å; F295-L429 HydrophobicContact CZ-CD1 3.45Å; F295-L429 VanDerWaalsContact CZ-CD1 3.45Å; F295-L455 HydrophobicContact CD1-CD2 3.63Å; F295-L455 HydrophobicContact CE1-CD1 4.48Å; F295-L455 HydrophobicContact CE1-CD2 3.85Å
296	N	92.7	Very high	95.8	Very high	37 Å²	37	29.4 Å²	29.4	20%	0.198	15%	0.154	C	C	.	.	H	α-helix	trans	-60.5	-46.4	177.6	-171.4	58.8	0	0	0	111.8	G292 H293 G298 I299 Q300 W353	G292-N296 PolarHBondContact O-N 2.78Å; G292-N296 VanDerWaalsContact O-N 3.12Å; H293-N296 PolarHBondContact O-N 2.85Å; N296-G298 PolarHBondContact O-N 2.89Å; N296-I299 PolarHBondContact O-N 3.08Å; N296-Q300 VanDerWaalsContact O-CB 3.25Å; N296-Q300 WeakPolarHBondContact O-CB 3.3Å; N296-Q300 WeakPolarHBondContact O-CG 3.38Å; N296-Q300 PolarHBondContact O-N 2.9Å; N296-Q300 PolarHBondContact OD1-NE2 3Å; N296-W353 HydrophobicContact CB-CE3 4.34Å; N296-W353 HydrophobicContact CB-CZ3 3.74Å
297	A	94.1	Very high	95.8	Very high	19 Å²	19	34.8 Å²	34.8	16%	0.157	18%	0.176	C	C	.	.	H	α-helix	trans	-56.5	-49.3	179.1	0	0	0	0	0	111.7	H293 T294 F295 Q301 E454	H293-A297 WeakPolarHBondContact O-CB 3.39Å; H293-A297 PolarHBondContact O-N 2.88Å; T294-A297 PolarHBondContact O-N 2.9Å; F295-A297 PolarHBondContact O-N 3.23Å; A297-Q301 WeakPolarHBondContact O-CB 3.41Å; A297-Q301 VanDerWaalsContact O-CG 3.24Å; A297-Q301 WeakPolarHBondContact O-CG 3.35Å; A297-Q301 PolarHBondContact O-N 2.88Å; A297-E454 HydrophobicContact CB-CG 4.31Å
298	G	96.6	Very high	95.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.6	-44.6	179.9	0	0	0	0	0	112.7	T294 F295 N296 Q301 A302 I451	T294-G298 PolarHBondContact O-N 3.38Å; F295-G298 PolarHBondContact O-N 3.31Å; N296-G298 PolarHBondContact O-N 2.89Å; G298-Q301 PolarHBondContact O-N 2.98Å; G298-A302 PolarHBondContact O-N 3.17Å; G298-I451 WeakPolarHBondContact O-CG1 3.15Å
299	I	97.1	Very high	95.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.9	-40.9	-179.4	-67.3	164.8	0	0	0	111.2	F295 N296 A302 F303 W354 L401 F404 I451	F295-I299 WeakPolarHBondContact O-CB 3.26Å; F295-I299 VanDerWaalsContact O-CG1 3.31Å; F295-I299 WeakPolarHBondContact O-CG1 3.27Å; F295-I299 PolarHBondContact O-N 2.88Å; N296-I299 PolarHBondContact O-N 3.08Å; I299-A302 WeakPolarHBondContact O-CB 3.25Å; I299-A302 PolarHBondContact O-N 2.81Å; I299-F303 HydrophobicContact CG2-CD1 4.31Å; I299-F303 HydrophobicContact CG2-CD2 4.12Å; I299-F303 HydrophobicContact CG2-CE1 3.84Å; I299-F303 HydrophobicContact CG2-CE2 3.63Å; I299-F303 HydrophobicContact CG2-CG 4.44Å; I299-F303 HydrophobicContact CG2-CZ 3.47Å; I299-F303 VanDerWaalsContact CG2-CZ 3.47Å; I299-F303 WeakPolarHBondContact O-CG 3.29Å; I299-F303 PolarHBondContact O-N 3.49Å; I299-W354 HydrophobicContact CB-CB 4.35Å; I299-W354 HydrophobicContact CB-CG 4.31Å; I299-W354 HydrophobicContact CD1-CD2 3.71Å; I299-W354 HydrophobicContact CD1-CE3 4.36Å; I299-W354 HydrophobicContact CD1-CG 3.78Å; I299-W354 HydrophobicContact CD1-CZ2 4.4Å; I299-W354 HydrophobicContact CG2-CB 3.53Å; I299-W354 HydrophobicContact CG2-CG 3.93Å; I299-L401 HydrophobicContact CD1-CD2 3.9Å; I299-L401 HydrophobicContact CG1-CD2 4.02Å; I299-L401 HydrophobicContact CG2-CD2 3.73Å; I299-F404 HydrophobicContact CD1-CB 4.4Å; I299-F404 HydrophobicContact CD1-CD1 4.17Å; I299-F404 HydrophobicContact CD1-CD2 4.45Å; I299-F404 HydrophobicContact CD1-CG 4.09Å; I299-I451 HydrophobicContact CG1-CD1 3.98Å; I299-I451 HydrophobicContact CG1-CG1 4.26Å
300	Q	95.4	Very high	96	Very high	57 Å²	57	38.4 Å²	38.4	27%	0.266	21%	0.205	S	C	.	.	H	α-helix	trans	-63.7	-42.4	175.6	-68	-60.9	-23.5	0	0	110.9	N296 A302 F303 Q304	N296-Q300 VanDerWaalsContact O-CB 3.25Å; N296-Q300 WeakPolarHBondContact O-CB 3.3Å; N296-Q300 WeakPolarHBondContact O-CG 3.38Å; N296-Q300 PolarHBondContact O-N 2.9Å; N296-Q300 PolarHBondContact OD1-NE2 3Å; Q300-A302 VanDerWaalsContact C-N 3.28Å; Q300-A302 PolarHBondContact O-N 3.15Å; Q300-F303 PolarHBondContact O-N 3.17Å; Q300-F303 VanDerWaalsContact O-N 3.16Å; Q300-Q304 WeakPolarHBondContact O-CG 3.38Å; Q300-Q304 PolarHBondContact O-N 2.82Å; Q300-Q304 VanDerWaalsContact O-N 3.09Å
301	Q	97.2	Very high	96.1	Very high	92 Å²	92	38.6 Å²	38.6	43%	0.43	21%	0.206	S	C	.	.	H	α-helix	trans	-58.4	-41.1	172.9	-73.5	176.7	52.4	0	0	111.8	A297 G298 Q304 V450 E454	A297-Q301 WeakPolarHBondContact O-CB 3.41Å; A297-Q301 VanDerWaalsContact O-CG 3.24Å; A297-Q301 WeakPolarHBondContact O-CG 3.35Å; A297-Q301 PolarHBondContact O-N 2.88Å; G298-Q301 PolarHBondContact O-N 2.98Å; Q301-Q304 PolarHBondContact O-N 2.82Å; Q301-V450 HydrophobicContact CB-CG1 3.5Å; Q301-E454 PolarHBondContact NE2-OE2 3.32Å
302	A	98.3	Very high	96.2	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-64.5	-40.4	174.9	0	0	0	0	0	112.5	G298 I299 Q300 Q304 L305 L308 A447 V450 I451	G298-A302 PolarHBondContact O-N 3.17Å; I299-A302 WeakPolarHBondContact O-CB 3.25Å; I299-A302 PolarHBondContact O-N 2.81Å; Q300-A302 VanDerWaalsContact C-N 3.28Å; Q300-A302 PolarHBondContact O-N 3.15Å; A302-Q304 PolarHBondContact O-N 2.81Å; A302-L305 WeakPolarHBondContact O-CB 3.44Å; A302-L305 WeakPolarHBondContact O-CG 3.41Å; A302-L305 PolarHBondContact O-N 3.17Å; A302-L308 WeakPolarHBondContact O-CD1 3.44Å; A302-A447 HydrophobicContact CB-CB 3.84Å; A302-V450 HydrophobicContact CB-CG1 4.42Å; A302-I451 HydrophobicContact CB-CD1 4.12Å; A302-I451 HydrophobicContact CB-CG1 4Å
303	F	97.4	Very high	96.4	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.035	22%	0.221	C	C	.	.	H	α-helix	trans	-65	-24.5	176.3	-69.3	-12.6	0	0	0	113.6	I299 Q300 L305 C309 L312 W354 T357 L397 L401	I299-F303 HydrophobicContact CG2-CD1 4.31Å; I299-F303 HydrophobicContact CG2-CD2 4.12Å; I299-F303 HydrophobicContact CG2-CE1 3.84Å; I299-F303 HydrophobicContact CG2-CE2 3.63Å; I299-F303 HydrophobicContact CG2-CG 4.44Å; I299-F303 HydrophobicContact CG2-CZ 3.47Å; I299-F303 VanDerWaalsContact CG2-CZ 3.47Å; I299-F303 WeakPolarHBondContact O-CG 3.29Å; I299-F303 PolarHBondContact O-N 3.49Å; Q300-F303 PolarHBondContact O-N 3.17Å; Q300-F303 VanDerWaalsContact O-N 3.16Å; F303-L305 PolarHBondContact O-N 3.02Å; F303-C309 VanDerWaalsContact O-CA 3.29Å; F303-C309 WeakPolarHBondContact O-CA 3.29Å; F303-C309 WeakPolarHBondContact O-CB 3.46Å; F303-C309 PolarHBondContact O-N 3.37Å; F303-L312 HydrophobicContact CB-CD1 3.8Å; F303-L312 HydrophobicContact CD1-CD1 3.79Å; F303-L312 HydrophobicContact CD2-CD1 4.18Å; F303-L312 HydrophobicContact CE1-CD1 4.38Å; F303-L312 HydrophobicContact CG-CD1 3.67Å; F303-W354 HydrophobicContact CE2-CB 3.84Å; F303-W354 HydrophobicContact CZ-CB 4.24Å; F303-T357 HydrophobicContact CE2-CG2 3.86Å; F303-T357 HydrophobicContact CZ-CG2 3.87Å; F303-L397 HydrophobicContact CE1-CD2 4.49Å; F303-L401 HydrophobicContact CE1-CD1 4.01Å; F303-L401 HydrophobicContact CZ-CD1 3.71Å; F303-L401 HydrophobicContact CZ-CD2 4.38Å
304	Q	97.4	Very high	96.7	Very high	128 Å²	128	40.7 Å²	40.7	60%	0.598	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-4.8	173.7	-62.8	-55.9	-32.7	0	0	113.7	Q300 Q301 A302	Q300-Q304 WeakPolarHBondContact O-CG 3.38Å; Q300-Q304 PolarHBondContact O-N 2.82Å; Q300-Q304 VanDerWaalsContact O-N 3.09Å; Q301-Q304 PolarHBondContact O-N 2.82Å; A302-Q304 PolarHBondContact O-N 2.81Å
305	L	98.1	Very high	96.8	Very high	29 Å²	29	40.5 Å²	40.5	15%	0.152	22%	0.218	C	C	.	.	S	Bend	trans	-59.3	131	172.9	-69.7	174.2	0	0	0	109.7	A302 F303 K307 L308 C309 M446 A447 V450	A302-L305 WeakPolarHBondContact O-CB 3.44Å; A302-L305 WeakPolarHBondContact O-CG 3.41Å; A302-L305 PolarHBondContact O-N 3.17Å; F303-L305 PolarHBondContact O-N 3.02Å; L305-K307 VanDerWaalsContact C-N 3.33Å; L305-K307 PolarHBondContact O-N 3.34Å; L305-L308 HydrophobicContact CB-CB 4.35Å; L305-L308 HydrophobicContact CB-CD1 4.29Å; L305-L308 HydrophobicContact CB-CG 4.34Å; L305-L308 HydrophobicContact CD1-CD1 4.1Å; L305-L308 PolarHBondContact O-N 3.25Å; L305-C309 WeakPolarHBondContact O-CB 3.22Å; L305-C309 PolarHBondContact O-N 2.88Å; L305-M446 HydrophobicContact CD1-CB 3.77Å; L305-M446 HydrophobicContact CD2-CE 4.08Å; L305-A447 HydrophobicContact CD1-CB 4.31Å; L305-V450 HydrophobicContact CD2-CG2 4.43Å
306	P	97.2	Very high	96.9	Very high	107 Å²	107	45 Å²	45	70%	0.695	24%	0.235	S	C	*	.	H	α-helix	trans	-51	-45.2	-164.1	-31.9	34.8	0	0	0	115.4	S310	P306-S310 PolarHBondContact O-N 3.43Å; P306-S310 PolarHBondContact O-OG 2.94Å
307	K	96	Very high	97.1	Very high	132 Å²	132	49.5 Å²	49.5	57%	0.574	25%	0.252	S	S	*	.	H	α-helix	trans	-70.2	-39.7	179.2	-73.5	-172	172.8	-166.4	0	113.3	L305 S310 L311 E443	L305-K307 VanDerWaalsContact C-N 3.33Å; L305-K307 PolarHBondContact O-N 3.34Å; K307-S310 WeakPolarHBondContact CA-OG 3.49Å; K307-S310 PolarHBondContact O-OG 2.97Å; K307-L311 WeakPolarHBondContact O-CB 3.45Å; K307-L311 PolarHBondContact O-N 3.46Å; K307-E443 HydrophobicContact CB-CG 3.91Å; K307-E443 HydrophobicContact CD-CG 3.69Å; K307-E443 WeakPolarHBondContact CD-OE1 3.46Å; K307-E443 WeakPolarHBondContact CE-OE1 3.36Å; K307-E443 HydrophobicContact CG-CG 4.48Å; K307-E443 IonicContact NZ-OE1 2.9Å; K307-E443 PolarHBondContact NZ-OE1 2.97Å
308	L	97.9	Very high	97.2	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-69.1	-44	177.5	-63.3	-175.3	0	0	0	110.3	A302 L305 S310 L311 L312 T393 L397 E443 A447	A302-L308 WeakPolarHBondContact O-CD1 3.44Å; L305-L308 HydrophobicContact CB-CB 4.35Å; L305-L308 HydrophobicContact CB-CD1 4.29Å; L305-L308 HydrophobicContact CB-CG 4.34Å; L305-L308 HydrophobicContact CD1-CD1 4.1Å; L305-L308 PolarHBondContact O-N 3.25Å; L308-S310 VanDerWaalsContact C-N 3.32Å; L308-S310 PolarHBondContact O-N 2.88Å; L308-L311 PolarHBondContact O-N 3.27Å; L308-L312 WeakPolarHBondContact O-CB 3.39Å; L308-L312 VanDerWaalsContact O-CG 3.28Å; L308-L312 WeakPolarHBondContact O-CG 3.33Å; L308-L312 PolarHBondContact O-N 3.03Å; L308-T393 HydrophobicContact CD2-CG2 3.62Å; L308-L397 HydrophobicContact CD1-CD2 4.14Å; L308-L397 HydrophobicContact CD2-CD1 4.18Å; L308-L397 HydrophobicContact CD2-CD2 4.3Å; L308-L397 HydrophobicContact CD2-CG 4.4Å; L308-E443 HydrophobicContact CD2-CB 3.84Å; L308-E443 HydrophobicContact CG-CB 4.31Å; L308-A447 HydrophobicContact CD1-CB 3.94Å
309	C	97.8	Very high	97.2	Very high	47 Å²	47	48.7 Å²	48.7	32%	0.318	25%	0.245	S	C	.	.	H	α-helix	trans	-57	-45.6	175.3	-174.4	0	0	0	0	111.5	F303 L305 A313	F303-C309 VanDerWaalsContact O-CA 3.29Å; F303-C309 WeakPolarHBondContact O-CA 3.29Å; F303-C309 WeakPolarHBondContact O-CB 3.46Å; F303-C309 PolarHBondContact O-N 3.37Å; L305-C309 WeakPolarHBondContact O-CB 3.22Å; L305-C309 PolarHBondContact O-N 2.88Å; C309-A313 WeakPolarHBondContact O-CB 3.44Å; C309-A313 PolarHBondContact O-N 2.92Å
310	S	97.4	Very high	97.1	Very high	68 Å²	68	52.9 Å²	52.9	48%	0.476	27%	0.265	S	S	.	.	H	α-helix	trans	-64.8	-41.3	176.9	55.3	0	0	0	0	112.9	P306 K307 L308 A313 R314	P306-S310 PolarHBondContact O-N 3.43Å; P306-S310 PolarHBondContact O-OG 2.94Å; K307-S310 WeakPolarHBondContact CA-OG 3.49Å; K307-S310 PolarHBondContact O-OG 2.97Å; L308-S310 VanDerWaalsContact C-N 3.32Å; L308-S310 PolarHBondContact O-N 2.88Å; S310-A313 PolarHBondContact O-N 3.49Å; S310-R314 PolarHBondContact O-N 3.22Å; S310-R314 VanDerWaalsContact O-N 3.08Å
311	L	98	Very high	97.1	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-64.5	-47.3	178.2	173.6	58.5	0	0	0	111.6	K307 L308 A313 R314 C315 E390 T393 I394	K307-L311 WeakPolarHBondContact O-CB 3.45Å; K307-L311 PolarHBondContact O-N 3.46Å; L308-L311 PolarHBondContact O-N 3.27Å; L311-A313 VanDerWaalsContact C-N 3.29Å; L311-A313 PolarHBondContact O-N 3.32Å; L311-R314 WeakPolarHBondContact O-CB 3.26Å; L311-R314 PolarHBondContact O-N 3.33Å; L311-R314 VanDerWaalsContact O-N 3.09Å; L311-C315 PolarHBondContact O-N 3.24Å; L311-C315 PolarHBondContact O-SG 2.98Å; L311-E390 HydrophobicContact CD1-CB 3.64Å; L311-E390 HydrophobicContact CD1-CG 3.88Å; L311-T393 HydrophobicContact CD2-CG2 3.51Å; L311-I394 HydrophobicContact CD1-CD1 4.42Å; L311-I394 HydrophobicContact CD1-CG1 4.39Å; L311-I394 HydrophobicContact CD2-CG1 4.18Å; L311-I394 HydrophobicContact CG-CG1 4.49Å
312	L	97.6	Very high	97	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-60.8	-39.8	177.4	-68.5	175.3	0	0	0	111.1	F303 L308 R314 C315 R316 T357 L361 L397	F303-L312 HydrophobicContact CB-CD1 3.8Å; F303-L312 HydrophobicContact CD1-CD1 3.79Å; F303-L312 HydrophobicContact CD2-CD1 4.18Å; F303-L312 HydrophobicContact CE1-CD1 4.38Å; F303-L312 HydrophobicContact CG-CD1 3.67Å; L308-L312 WeakPolarHBondContact O-CB 3.39Å; L308-L312 VanDerWaalsContact O-CG 3.28Å; L308-L312 WeakPolarHBondContact O-CG 3.33Å; L308-L312 PolarHBondContact O-N 3.03Å; L312-R314 VanDerWaalsContact C-N 3.33Å; L312-R314 PolarHBondContact O-N 3.2Å; L312-C315 WeakPolarHBondContact O-CB 3.45Å; L312-C315 PolarHBondContact O-N 3.18Å; L312-R316 WeakPolarHBondContact O-CG 3.44Å; L312-R316 PolarHBondContact O-N 3.3Å; L312-T357 HydrophobicContact CD1-CG2 4.46Å; L312-T357 HydrophobicContact CD2-CG2 3.68Å; L312-L361 HydrophobicContact CD2-CD1 4.13Å; L312-L361 HydrophobicContact CD2-CD2 4.09Å; L312-L361 HydrophobicContact CD2-CG 4.44Å; L312-L397 HydrophobicContact CD2-CD1 4.38Å
313	A	97	Very high	96.6	Very high	39 Å²	39	49.8 Å²	49.8	32%	0.322	25%	0.249	S	C	.	.	H	α-helix	trans	-62.4	-37.8	174.3	0	0	0	0	0	112.7	C309 S310 L311 K317	C309-A313 WeakPolarHBondContact O-CB 3.44Å; C309-A313 PolarHBondContact O-N 2.92Å; S310-A313 PolarHBondContact O-N 3.49Å; L311-A313 VanDerWaalsContact C-N 3.29Å; L311-A313 PolarHBondContact O-N 3.32Å; A313-K317 WeakPolarHBondContact O-CG 3.41Å; A313-K317 PolarHBondContact O-N 2.92Å; A313-K317 VanDerWaalsContact O-N 3.16Å
314	R	97.4	Very high	96.3	Very high	76 Å²	76	55.8 Å²	55.8	29%	0.287	28%	0.277	S	S	.	.	H	α-helix	trans	-66.8	-42.9	173.3	-71.4	-177.5	66	172.9	0.8	112.1	S310 L311 L312 R316 K317 L318 M385 L386 E390	S310-R314 PolarHBondContact O-N 3.22Å; S310-R314 VanDerWaalsContact O-N 3.08Å; L311-R314 WeakPolarHBondContact O-CB 3.26Å; L311-R314 PolarHBondContact O-N 3.33Å; L311-R314 VanDerWaalsContact O-N 3.09Å; L312-R314 VanDerWaalsContact C-N 3.33Å; L312-R314 PolarHBondContact O-N 3.2Å; R314-R316 VanDerWaalsContact C-N 3.31Å; R314-R316 PolarHBondContact O-N 3.15Å; R314-K317 PolarHBondContact O-N 2.86Å; R314-L318 WeakPolarHBondContact O-CB 3.27Å; R314-L318 PolarHBondContact O-N 3.33Å; R314-M385 PolarHBondContact NH2-O 3.07Å; R314-L386 HydrophobicContact CB-CD2 3.99Å; R314-E390 VanDerWaalsContact CD-OE1 3.3Å; R314-E390 WeakPolarHBondContact CD-OE1 3.43Å; R314-E390 IonicContact CZ-OE1 3.42Å; R314-E390 IonicContact CZ-OE2 3.9Å; R314-E390 IonicContact NE-OE1 3.38Å; R314-E390 PolarHBondContact NE-OE1 2.92Å; R314-E390 IonicContact NE-OE2 3.19Å; R314-E390 IonicContact NH1-OE1 3.18Å; R314-E390 PolarHBondContact NH1-OE1 3.42Å; R314-E390 IonicContact NH1-OE2 3.32Å; R314-E390 PolarHBondContact NH1-OE2 2.88Å; R314-E390 IonicContact NH2-OE2 2.69Å; R314-E390 PolarHBondContact NH2-OE2 3.01Å
315	C	97.7	Very high	96.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57.4	-45.1	175.6	-64.7	0	0	0	0	111.2	L311 L312 L318 V319 M360 L361 L364	L311-C315 PolarHBondContact O-N 3.24Å; L311-C315 PolarHBondContact O-SG 2.98Å; L312-C315 WeakPolarHBondContact O-CB 3.45Å; L312-C315 PolarHBondContact O-N 3.18Å; C315-L318 WeakPolarHBondContact O-CB 3.41Å; C315-L318 PolarHBondContact O-N 2.87Å; C315-V319 WeakPolarHBondContact O-CG2 3.3Å; C315-V319 PolarHBondContact O-N 3.05Å; C315-M360 HydrophobicContact CB-CE 3.94Å; C315-L361 HydrophobicContact CB-CD2 4.48Å; C315-L364 HydrophobicContact CB-CD1 3.69Å
316	R	96.9	Very high	95.7	Very high	95 Å²	95	53.7 Å²	53.7	36%	0.358	28%	0.284	S	S	.	.	H	α-helix	trans	-59.9	-47.1	176.3	-71	179.2	-168.3	115.3	5.6	112.6	L312 R314 L318 V319 E320 D349 M360	L312-R316 WeakPolarHBondContact O-CG 3.44Å; L312-R316 PolarHBondContact O-N 3.3Å; R314-R316 VanDerWaalsContact C-N 3.31Å; R314-R316 PolarHBondContact O-N 3.15Å; R316-L318 VanDerWaalsContact C-N 3.31Å; R316-L318 PolarHBondContact O-N 2.66Å; R316-V319 PolarHBondContact O-N 2.94Å; R316-E320 VanDerWaalsContact O-CB 3.27Å; R316-E320 WeakPolarHBondContact O-CB 3.23Å; R316-E320 PolarHBondContact O-N 2.93Å; R316-D349 VanDerWaalsContact CD-OD1 3.29Å; R316-D349 WeakPolarHBondContact CD-OD1 3.42Å; R316-D349 VanDerWaalsContact CG-OD1 3.23Å; R316-D349 WeakPolarHBondContact CG-OD1 3.27Å; R316-D349 IonicContact CZ-OD1 2.66Å; R316-D349 IonicContact CZ-OD2 3.3Å; R316-D349 VanDerWaalsContact NE-CG 3.26Å; R316-D349 IonicContact NE-OD1 3.14Å; R316-D349 PolarHBondContact NE-OD1 3.41Å; R316-D349 IonicContact NE-OD2 3.57Å; R316-D349 PolarHBondContact NE-OD2 2.88Å; R316-D349 IonicContact NH2-OD2 2.68Å; R316-D349 PolarHBondContact NH2-OD2 2.71Å; R316-M360 HydrophobicContact CG-CE 4.08Å; R316-M360 HydrophobicContact CG-SD 4.12Å
317	K	96.5	Very high	95.5	Very high	131 Å²	131	53.2 Å²	53.2	57%	0.57	28%	0.279	S	S	*	.	H	α-helix	trans	-61.6	-39.7	177.4	-73.3	180	178.3	-174.7	0	112.5	A313 R314 E320 Y321 L384	A313-K317 WeakPolarHBondContact O-CG 3.41Å; A313-K317 PolarHBondContact O-N 2.92Å; A313-K317 VanDerWaalsContact O-N 3.16Å; R314-K317 PolarHBondContact O-N 2.86Å; K317-E320 PolarHBondContact O-N 3.32Å; K317-Y321 PolarHBondContact O-N 3.43Å; K317-L384 HydrophobicContact CB-CD2 4.35Å
318	L	96.9	Very high	95.3	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-49.9	176.2	174.8	62.3	0	0	0	111	R314 C315 R316 E320 Y321 F322 L364 I371 L375 L384 L386	R314-L318 WeakPolarHBondContact O-CB 3.27Å; R314-L318 PolarHBondContact O-N 3.33Å; C315-L318 WeakPolarHBondContact O-CB 3.41Å; C315-L318 PolarHBondContact O-N 2.87Å; R316-L318 VanDerWaalsContact C-N 3.31Å; R316-L318 PolarHBondContact O-N 2.66Å; L318-E320 PolarHBondContact O-N 3.21Å; L318-Y321 PolarHBondContact O-N 3.46Å; L318-F322 HydrophobicContact CD1-CD2 4.17Å; L318-F322 HydrophobicContact CD1-CE2 3.8Å; L318-F322 WeakPolarHBondContact O-CD2 3.4Å; L318-F322 PolarHBondContact O-N 3.4Å; L318-L364 HydrophobicContact CD2-CD2 3.87Å; L318-L364 HydrophobicContact CG-CD2 4.32Å; L318-I371 HydrophobicContact CD1-CG2 4.01Å; L318-I371 HydrophobicContact CD2-CG2 4.18Å; L318-L375 HydrophobicContact CD1-CD1 3.89Å; L318-L384 HydrophobicContact CD1-CB 4.08Å; L318-L386 HydrophobicContact CD2-CD1 4Å; L318-L386 HydrophobicContact CD2-CG 4.15Å
319	V	96.1	Very high	95	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-45.3	176.4	172.5	0	0	0	0	111.3	C315 R316 Y321 F322 Q323 L346 M360 L364	C315-V319 WeakPolarHBondContact O-CG2 3.3Å; C315-V319 PolarHBondContact O-N 3.05Å; R316-V319 PolarHBondContact O-N 2.94Å; V319-Y321 VanDerWaalsContact C-N 3.31Å; V319-Y321 PolarHBondContact O-N 2.91Å; V319-F322 PolarHBondContact O-N 3.24Å; V319-Q323 HydrophobicContact CG1-CG 4.15Å; V319-Q323 WeakPolarHBondContact O-CG 3.34Å; V319-Q323 PolarHBondContact O-N 3.16Å; V319-L346 HydrophobicContact CG1-CB 4.1Å; V319-L346 HydrophobicContact CG2-CB 4.3Å; V319-M360 HydrophobicContact CG2-CG 3.93Å; V319-M360 HydrophobicContact CG2-SD 4.04Å; V319-L364 HydrophobicContact CG2-CD1 4.09Å; V319-L364 HydrophobicContact CG2-CD2 3.82Å; V319-L364 HydrophobicContact CG2-CG 4.09Å
320	E	95.2	Very high	94.7	Very high	88 Å²	88	54 Å²	54	41%	0.411	28%	0.276	S	S	.	.	H	α-helix	trans	-57.4	-43.3	179.6	-176.4	176.6	-164.2	0	0	111.9	R316 K317 L318 F322 Q323 Q324	R316-E320 VanDerWaalsContact O-CB 3.27Å; R316-E320 WeakPolarHBondContact O-CB 3.23Å; R316-E320 PolarHBondContact O-N 2.93Å; K317-E320 PolarHBondContact O-N 3.32Å; L318-E320 PolarHBondContact O-N 3.21Å; E320-F322 PolarHBondContact O-N 2.89Å; E320-Q323 PolarHBondContact O-N 2.82Å; E320-Q324 VanDerWaalsContact CG-CD 3.49Å; E320-Q324 HydrophobicContact CG-CG 4.18Å; E320-Q324 WeakPolarHBondContact O-CB 3.42Å; E320-Q324 WeakPolarHBondContact O-CG 3.5Å; E320-Q324 PolarHBondContact O-N 2.9Å; E320-Q324 PolarHBondContact OE1-NE2 2.74Å
321	Y	95.3	Very high	94.5	Very high	27 Å²	27	52.7 Å²	52.7	11%	0.106	26%	0.262	C	S	.	.	H	α-helix	trans	-57.3	-48	175.8	161.8	-100	0	0	0	112.2	K317 L318 V319 Q323 Q324 S325 A328 L375 D378 N381 L384	K317-Y321 PolarHBondContact O-N 3.43Å; L318-Y321 PolarHBondContact O-N 3.46Å; V319-Y321 VanDerWaalsContact C-N 3.31Å; V319-Y321 PolarHBondContact O-N 2.91Å; Y321-Q323 VanDerWaalsContact C-N 3.33Å; Y321-Q323 PolarHBondContact O-N 2.9Å; Y321-Q324 PolarHBondContact O-N 3.34Å; Y321-S325 VanDerWaalsContact O-CB 3.24Å; Y321-S325 WeakPolarHBondContact O-CB 3.19Å; Y321-S325 PolarHBondContact O-N 2.86Å; Y321-A328 HydrophobicContact CD1-CB 4.21Å; Y321-A328 HydrophobicContact CE1-CB 3.45Å; Y321-A328 VanDerWaalsContact CE1-CB 3.45Å; Y321-A328 HydrophobicContact CE2-CB 4.18Å; Y321-A328 VanDerWaalsContact CZ-CB 3.42Å; Y321-A328 WeakPolarHBondContact OH-CB 3.36Å; Y321-L375 HydrophobicContact CE1-CD2 4.03Å; Y321-D378 PolarHBondContact OH-OD2 3.4Å; Y321-N381 HydrophobicContact CE2-CB 3.93Å; Y321-N381 VanDerWaalsContact CE2-CG 3.4Å; Y321-N381 VanDerWaalsContact CE2-ND2 3.35Å; Y321-N381 WeakPolarHBondContact CE2-ND2 3.43Å; Y321-L384 HydrophobicContact CD1-CD1 3.8Å; Y321-L384 HydrophobicContact CD2-CD1 4.01Å; Y321-L384 HydrophobicContact CG-CD1 3.49Å; Y321-L384 VanDerWaalsContact CG-CD1 3.49Å
322	F	94	Very high	94.3	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.018	26%	0.261	C	S	.	.	H	α-helix	trans	-67.7	-31.8	177.7	-81.1	-82.4	0	0	0	112.8	L318 V319 E320 A328 M329 L332 L346 I371 V374	L318-F322 HydrophobicContact CD1-CD2 4.17Å; L318-F322 HydrophobicContact CD1-CE2 3.8Å; L318-F322 WeakPolarHBondContact O-CD2 3.4Å; L318-F322 PolarHBondContact O-N 3.4Å; V319-F322 PolarHBondContact O-N 3.24Å; E320-F322 PolarHBondContact O-N 2.89Å; F322-A328 HydrophobicContact CD1-CB 3.93Å; F322-A328 HydrophobicContact CE1-CB 4.2Å; F322-M329 VanDerWaalsContact O-CE 3.31Å; F322-M329 WeakPolarHBondContact O-CE 3.38Å; F322-L332 HydrophobicContact CD1-CB 3.92Å; F322-L332 HydrophobicContact CD1-CD1 4.25Å; F322-L332 HydrophobicContact CD1-CD2 4.01Å; F322-L332 HydrophobicContact CD1-CG 4.29Å; F322-L332 HydrophobicContact CE1-CB 3.86Å; F322-L332 HydrophobicContact CE1-CD1 3.86Å; F322-L332 HydrophobicContact CE1-CD2 4.45Å; F322-L332 HydrophobicContact CE1-CG 4.28Å; F322-L332 HydrophobicContact CZ-CD1 4.4Å; F322-L346 HydrophobicContact CB-CD1 3.85Å; F322-L346 HydrophobicContact CB-CG 4.38Å; F322-L346 HydrophobicContact CD2-CD1 3.57Å; F322-L346 HydrophobicContact CE2-CD1 4.3Å; F322-L346 HydrophobicContact CG-CD1 3.77Å; F322-I371 HydrophobicContact CE2-CG1 4.4Å; F322-I371 HydrophobicContact CE2-CG2 3.96Å; F322-I371 HydrophobicContact CZ-CG1 4.49Å; F322-I371 HydrophobicContact CZ-CG2 4.25Å; F322-V374 HydrophobicContact CE1-CB 4.09Å; F322-V374 HydrophobicContact CE1-CG1 3.76Å; F322-V374 HydrophobicContact CE1-CG2 4.3Å; F322-V374 HydrophobicContact CZ-CB 4.02Å; F322-V374 HydrophobicContact CZ-CG1 3.93Å
323	Q	90.8	Very high	94	Very high	56 Å²	56	52.8 Å²	52.8	26%	0.262	26%	0.264	S	S	.	.	H	α-helix	trans	-76.1	-29.6	177.8	-72.3	-175.3	-15.2	0	0	113.1	V319 E320 Y321 L346	V319-Q323 HydrophobicContact CG1-CG 4.15Å; V319-Q323 WeakPolarHBondContact O-CG 3.34Å; V319-Q323 PolarHBondContact O-N 3.16Å; E320-Q323 PolarHBondContact O-N 2.82Å; Y321-Q323 VanDerWaalsContact C-N 3.33Å; Y321-Q323 PolarHBondContact O-N 2.9Å; Q323-L346 PolarHBondContact NE2-O 3.5Å
324	Q	90.9	Very high	93.9	Very high	133 Å²	133	53.6 Å²	53.6	62%	0.621	26%	0.261	S	S	*	.	H	α-helix	trans	-96.3	-23.7	-176.3	-68.5	178.9	1.5	0	0	113.7	E320 Y321	E320-Q324 VanDerWaalsContact CG-CD 3.49Å; E320-Q324 HydrophobicContact CG-CG 4.18Å; E320-Q324 WeakPolarHBondContact O-CB 3.42Å; E320-Q324 WeakPolarHBondContact O-CG 3.5Å; E320-Q324 PolarHBondContact O-N 2.9Å; E320-Q324 PolarHBondContact OE1-NE2 2.74Å; Y321-Q324 PolarHBondContact O-N 3.34Å
325	S	92.6	Very high	93.7	Very high	32 Å²	32	51.5 Å²	51.5	22%	0.224	25%	0.254	C	S	.	.			trans	-97.1	106.8	179.9	177.2	0	0	0	0	111.3	Y321 V327 A328 M329	Y321-S325 VanDerWaalsContact O-CB 3.24Å; Y321-S325 WeakPolarHBondContact O-CB 3.19Å; Y321-S325 PolarHBondContact O-N 2.86Å; S325-V327 PolarHBondContact O-N 3.24Å; S325-A328 PolarHBondContact O-N 2.96Å; S325-A328 VanDerWaalsContact O-N 3.15Å; S325-A328 WeakPolarHBondContact OG-CB 3.37Å; S325-A328 PolarHBondContact OG-N 3.46Å; S325-A328 VanDerWaalsContact OG-N 3.14Å; S325-M329 WeakPolarHBondContact O-CB 3.46Å; S325-M329 PolarHBondContact O-N 3.35Å
326	A	91.1	Very high	93.5	Very high	81 Å²	81	51.5 Å²	51.5	67%	0.669	25%	0.254	S	S	*	.	H	α-helix	trans	-56.1	-32.8	174.3	0	0	0	0	0	112.5	Y330	A326-Y330 WeakPolarHBondContact O-CB 3.43Å; A326-Y330 PolarHBondContact O-N 3.17Å
327	V	91.9	Very high	93.3	Very high	97 Å²	97	52.7 Å²	52.7	59%	0.588	26%	0.261	S	S	*	.	H	α-helix	trans	-71	-47.2	177.4	-174.1	0	0	0	0	110.8	S325 M329 Y330 M331	S325-V327 PolarHBondContact O-N 3.24Å; V327-M329 VanDerWaalsContact C-N 3.3Å; V327-M329 PolarHBondContact O-N 3.4Å; V327-Y330 PolarHBondContact O-N 3.17Å; V327-M331 HydrophobicContact CG1-CE 4.01Å; V327-M331 HydrophobicContact CG1-SD 4.43Å; V327-M331 VanDerWaalsContact O-CG 3.31Å; V327-M331 WeakPolarHBondContact O-CG 2.96Å; V327-M331 PolarHBondContact O-N 3.02Å
328	A	92.3	Very high	93.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-41.3	177.8	0	0	0	0	0	111.7	Y321 F322 S325 M331 L332	Y321-A328 HydrophobicContact CD1-CB 4.21Å; Y321-A328 HydrophobicContact CE1-CB 3.45Å; Y321-A328 VanDerWaalsContact CE1-CB 3.45Å; Y321-A328 HydrophobicContact CE2-CB 4.18Å; Y321-A328 VanDerWaalsContact CZ-CB 3.42Å; Y321-A328 WeakPolarHBondContact OH-CB 3.36Å; F322-A328 HydrophobicContact CD1-CB 3.93Å; F322-A328 HydrophobicContact CE1-CB 4.2Å; S325-A328 PolarHBondContact O-N 2.96Å; S325-A328 VanDerWaalsContact O-N 3.15Å; S325-A328 WeakPolarHBondContact OG-CB 3.37Å; S325-A328 PolarHBondContact OG-N 3.46Å; S325-A328 VanDerWaalsContact OG-N 3.14Å; A328-M331 HydrophobicContact CB-CE 4.49Å; A328-M331 PolarHBondContact O-N 2.96Å; A328-L332 WeakPolarHBondContact O-CB 3.46Å; A328-L332 PolarHBondContact O-N 3.24Å
329	M	90.8	Very high	92.7	Very high	50 Å²	50	56.3 Å²	56.3	25%	0.246	28%	0.281	C	S	.	.	H	α-helix	trans	-60.5	-47.8	175.6	-179.2	174.4	-63.7	0	0	111.5	F322 S325 V327 L332 S333 W666	F322-M329 VanDerWaalsContact O-CE 3.31Å; F322-M329 WeakPolarHBondContact O-CE 3.38Å; S325-M329 WeakPolarHBondContact O-CB 3.46Å; S325-M329 PolarHBondContact O-N 3.35Å; V327-M329 VanDerWaalsContact C-N 3.3Å; V327-M329 PolarHBondContact O-N 3.4Å; M329-L332 WeakPolarHBondContact O-CB 3.35Å; M329-L332 PolarHBondContact O-N 2.84Å; M329-S333 PolarHBondContact O-N 2.86Å; M329-W666 HydrophobicContact CG-CE3 4.43Å; M329-W666 HydrophobicContact CG-CH2 3.64Å; M329-W666 HydrophobicContact CG-CZ3 3.28Å; M329-W666 VanDerWaalsContact O-CH2 3.28Å; M329-W666 WeakPolarHBondContact O-CH2 3.4Å; M329-W666 HydrophobicContact SD-CZ3 4Å
330	Y	91.9	Very high	92.3	Very high	148 Å²	148	63.6 Å²	63.6	58%	0.58	32%	0.319	S	S	*	.	H	α-helix	trans	-60.8	-45.5	173.7	175.8	-95	0	0	0	112.3	A326 V327 L332 S333 E334	A326-Y330 WeakPolarHBondContact O-CB 3.43Å; A326-Y330 PolarHBondContact O-N 3.17Å; V327-Y330 PolarHBondContact O-N 3.17Å; Y330-L332 VanDerWaalsContact C-N 3.33Å; Y330-L332 PolarHBondContact O-N 3.23Å; Y330-S333 WeakPolarHBondContact O-CB 3.33Å; Y330-S333 PolarHBondContact O-N 2.87Å; Y330-E334 HydrophobicContact CD1-CG 4.21Å; Y330-E334 HydrophobicContact CD2-CG 4.5Å; Y330-E334 HydrophobicContact CE1-CG 3.67Å; Y330-E334 HydrophobicContact CE2-CG 4.01Å; Y330-E334 WeakPolarHBondContact O-CG 3.44Å; Y330-E334 PolarHBondContact O-N 3.37Å
331	M	92.9	Very high	92	Very high	39 Å²	39	62.3 Å²	62.3	19%	0.192	32%	0.315	C	S	.	.	H	α-helix	trans	-61.3	-41.2	177.6	-70.8	-173.8	-63.6	0	0	111.8	V327 A328 E334 K335 V374 D378	V327-M331 HydrophobicContact CG1-CE 4.01Å; V327-M331 HydrophobicContact CG1-SD 4.43Å; V327-M331 VanDerWaalsContact O-CG 3.31Å; V327-M331 WeakPolarHBondContact O-CG 2.96Å; V327-M331 PolarHBondContact O-N 3.02Å; A328-M331 HydrophobicContact CB-CE 4.49Å; A328-M331 PolarHBondContact O-N 2.96Å; M331-E334 PolarHBondContact O-N 3.1Å; M331-K335 WeakPolarHBondContact O-CB 3.47Å; M331-K335 VanDerWaalsContact O-CG 3.25Å; M331-K335 WeakPolarHBondContact O-CG 3.47Å; M331-K335 PolarHBondContact O-N 2.68Å; M331-V374 HydrophobicContact CB-CG1 3.79Å; M331-V374 HydrophobicContact CB-CG2 4.02Å; M331-V374 HydrophobicContact CE-CG1 3.78Å; M331-V374 HydrophobicContact SD-CG1 4.38Å; M331-D378 HydrophobicContact CE-CB 4.4Å
332	L	93.6	Very high	91.5	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-58.5	-50	175.2	-172.8	74.2	0	0	0	110.9	F322 A328 M329 Y330 E334 K335 Q336 L346 V370 I371 W666	F322-L332 HydrophobicContact CD1-CB 3.92Å; F322-L332 HydrophobicContact CD1-CD1 4.25Å; F322-L332 HydrophobicContact CD1-CD2 4.01Å; F322-L332 HydrophobicContact CD1-CG 4.29Å; F322-L332 HydrophobicContact CE1-CB 3.86Å; F322-L332 HydrophobicContact CE1-CD1 3.86Å; F322-L332 HydrophobicContact CE1-CD2 4.45Å; F322-L332 HydrophobicContact CE1-CG 4.28Å; F322-L332 HydrophobicContact CZ-CD1 4.4Å; A328-L332 WeakPolarHBondContact O-CB 3.46Å; A328-L332 PolarHBondContact O-N 3.24Å; M329-L332 WeakPolarHBondContact O-CB 3.35Å; M329-L332 PolarHBondContact O-N 2.84Å; Y330-L332 VanDerWaalsContact C-N 3.33Å; Y330-L332 PolarHBondContact O-N 3.23Å; L332-E334 PolarHBondContact O-N 2.77Å; L332-K335 PolarHBondContact O-N 3.33Å; L332-Q336 VanDerWaalsContact O-CG 3.27Å; L332-Q336 WeakPolarHBondContact O-CG 3.41Å; L332-Q336 PolarHBondContact O-N 3.21Å; L332-L346 HydrophobicContact CD2-CD2 4.27Å; L332-L346 HydrophobicContact CD2-CG 3.99Å; L332-V370 HydrophobicContact CD1-CB 4.36Å; L332-V370 HydrophobicContact CD1-CG1 3.62Å; L332-V370 HydrophobicContact CG-CG1 4.41Å; L332-I371 HydrophobicContact CD1-CG1 4.15Å; L332-W666 HydrophobicContact CD2-CZ2 4.46Å
333	S	93.1	Very high	91.1	Very high	9 Å²	9	68.8 Å²	68.8	6%	0.063	35%	0.349	C	S	.	.	H	α-helix	trans	-53.5	-51.2	175.6	158.8	0	0	0	0	112	M329 Y330 K335 Q336 K337 H343	M329-S333 PolarHBondContact O-N 2.86Å; Y330-S333 WeakPolarHBondContact O-CB 3.33Å; Y330-S333 PolarHBondContact O-N 2.87Å; S333-K335 PolarHBondContact O-N 2.9Å; S333-Q336 WeakPolarHBondContact O-CB 3.4Å; S333-Q336 PolarHBondContact O-N 2.97Å; S333-K337 WeakPolarHBondContact O-CG 3.27Å; S333-K337 PolarHBondContact O-N 3.27Å; S333-K337 VanDerWaalsContact O-N 3.08Å; S333-H343 VanDerWaalsContact CB-CE1 3.49Å; S333-H343 WeakPolarHBondContact CB-CE1 3.38Å; S333-H343 PolarHBondContact OG-CE1 3.38Å
334	E	93.4	Very high	91	Very high	56 Å²	56	66.4 Å²	66.4	26%	0.262	34%	0.339	S	S	.	.	H	α-helix	trans	-65.7	-39.9	-177.8	-71.6	-63.2	101.6	0	0	112.1	Y330 M331 L332 K337 Q338	Y330-E334 HydrophobicContact CD1-CG 4.21Å; Y330-E334 HydrophobicContact CD2-CG 4.5Å; Y330-E334 HydrophobicContact CE1-CG 3.67Å; Y330-E334 HydrophobicContact CE2-CG 4.01Å; Y330-E334 WeakPolarHBondContact O-CG 3.44Å; Y330-E334 PolarHBondContact O-N 3.37Å; M331-E334 PolarHBondContact O-N 3.1Å; L332-E334 PolarHBondContact O-N 2.77Å; E334-K337 PolarHBondContact O-N 2.93Å; E334-K337 IonicContact OE1-NZ 2.78Å; E334-K337 PolarHBondContact OE1-NZ 3.36Å; E334-Q338 VanDerWaalsContact O-CG 3.24Å; E334-Q338 WeakPolarHBondContact O-CG 3.37Å; E334-Q338 PolarHBondContact O-N 3.32Å
335	K	93.8	Very high	90.9	Very high	31 Å²	31	62.5 Å²	62.5	14%	0.135	32%	0.321	C	S	.	.	H	α-helix	trans	-67.3	-36.7	176	-67.3	-61.6	-178.4	-175	0	112.2	M331 L332 S333 Q338 Q339 V370 A373 V374 E377	M331-K335 WeakPolarHBondContact O-CB 3.47Å; M331-K335 VanDerWaalsContact O-CG 3.25Å; M331-K335 WeakPolarHBondContact O-CG 3.47Å; M331-K335 PolarHBondContact O-N 2.68Å; L332-K335 PolarHBondContact O-N 3.33Å; S333-K335 PolarHBondContact O-N 2.9Å; K335-Q338 PolarHBondContact O-N 3.32Å; K335-Q339 WeakPolarHBondContact O-CB 3.42Å; K335-Q339 WeakPolarHBondContact O-CG 3.28Å; K335-Q339 PolarHBondContact O-N 3.46Å; K335-V370 HydrophobicContact CB-CG1 3.53Å; K335-A373 HydrophobicContact CD-CB 4.39Å; K335-V374 HydrophobicContact CB-CG2 4.34Å; K335-V374 HydrophobicContact CG-CG2 3.84Å; K335-E377 WeakPolarHBondContact CE-OE1 3.34Å; K335-E377 VanDerWaalsContact CE-OE2 3.32Å; K335-E377 WeakPolarHBondContact CE-OE2 3.21Å; K335-E377 VanDerWaalsContact NZ-CD 3.35Å; K335-E377 IonicContact NZ-OE1 3.45Å; K335-E377 PolarHBondContact NZ-OE1 3.29Å; K335-E377 IonicContact NZ-OE2 2.65Å; K335-E377 PolarHBondContact NZ-OE2 2.99Å
336	Q	94.2	Very high	90.9	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59.6	-48.3	173.1	-75.1	169.3	-17.1	0	0	111.2	L332 S333 Q338 Q339 N340 I341 H343 C344 Q367 V370	L332-Q336 VanDerWaalsContact O-CG 3.27Å; L332-Q336 WeakPolarHBondContact O-CG 3.41Å; L332-Q336 PolarHBondContact O-N 3.21Å; S333-Q336 WeakPolarHBondContact O-CB 3.4Å; S333-Q336 PolarHBondContact O-N 2.97Å; Q336-Q338 PolarHBondContact O-N 3.19Å; Q336-Q339 PolarHBondContact O-N 3.42Å; Q336-N340 PolarHBondContact O-N 3.25Å; Q336-I341 PolarHBondContact O-N 2.99Å; Q336-I341 VanDerWaalsContact O-N 3.13Å; Q336-H343 PolarHBondContact OE1-ND1 3.43Å; Q336-C344 PolarHBondContact NE2-O 3.34Å; Q336-C344 PolarHBondContact OE1-O 3.2Å; Q336-Q367 VanDerWaalsContact NE2-CD 3.3Å; Q336-V370 HydrophobicContact CG-CG1 3.86Å; Q336-V370 HydrophobicContact CG-CG2 4.32Å
337	K	92.3	Very high	90.9	Very high	120 Å²	120	58.3 Å²	58.3	52%	0.522	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-44.9	177	-69.2	175.7	-170.2	168.5	0	111.9	S333 E334 Q339 N340	S333-K337 WeakPolarHBondContact O-CG 3.27Å; S333-K337 PolarHBondContact O-N 3.27Å; S333-K337 VanDerWaalsContact O-N 3.08Å; E334-K337 PolarHBondContact O-N 2.93Å; E334-K337 IonicContact OE1-NZ 2.78Å; E334-K337 PolarHBondContact OE1-NZ 3.36Å; K337-Q339 VanDerWaalsContact C-N 3.29Å; K337-Q339 PolarHBondContact O-N 3.21Å; K337-N340 PolarHBondContact O-N 3.04Å
338	Q	91.7	Very high	90.7	Very high	129 Å²	129	54.9 Å²	54.9	60%	0.603	27%	0.265	S	S	*	.	H	α-helix	trans	-62.8	-34	179	-73.4	169.9	14.5	0	0	113.1	E334 K335 Q336	E334-Q338 VanDerWaalsContact O-CG 3.24Å; E334-Q338 WeakPolarHBondContact O-CG 3.37Å; E334-Q338 PolarHBondContact O-N 3.32Å; K335-Q338 PolarHBondContact O-N 3.32Å; Q336-Q338 PolarHBondContact O-N 3.19Å
339	Q	89.1	Confident	90.5	Very high	80 Å²	80	55.8 Å²	55.8	37%	0.374	27%	0.271	S	S	.	.	H	α-helix	trans	-93	-0.3	-179.4	-64.5	-176.9	13.7	0	0	113.4	K335 Q336 K337 I341	K335-Q339 WeakPolarHBondContact O-CB 3.42Å; K335-Q339 WeakPolarHBondContact O-CG 3.28Å; K335-Q339 PolarHBondContact O-N 3.46Å; Q336-Q339 PolarHBondContact O-N 3.42Å; K337-Q339 VanDerWaalsContact C-N 3.29Å; K337-Q339 PolarHBondContact O-N 3.21Å; Q339-I341 VanDerWaalsContact C-N 3.26Å; Q339-I341 HydrophobicContact CB-CD1 3.89Å; Q339-I341 HydrophobicContact CB-CG1 4.08Å; Q339-I341 PolarHBondContact O-N 2.73Å
340	N	88	Confident	89.8	Confident	153 Å²	153	62.1 Å²	62.1	82%	0.818	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	42	-176.4	-164.5	49.4	0	0	0	113	Q336 K337	Q336-N340 PolarHBondContact O-N 3.25Å; K337-N340 PolarHBondContact O-N 3.04Å
341	I	88.6	Confident	89	Confident	62 Å²	62	56.5 Å²	56.5	32%	0.318	27%	0.272	S	S	.	.			trans	-102.5	158.2	175.7	-64	172.2	0	0	0	108.6	Q336 Q339 H343 V370	Q336-I341 PolarHBondContact O-N 2.99Å; Q336-I341 VanDerWaalsContact O-N 3.13Å; Q339-I341 VanDerWaalsContact C-N 3.26Å; Q339-I341 HydrophobicContact CB-CD1 3.89Å; Q339-I341 HydrophobicContact CB-CG1 4.08Å; Q339-I341 PolarHBondContact O-N 2.73Å; I341-H343 PolarHBondContact O-N 2.57Å; I341-V370 HydrophobicContact CD1-CG2 3.86Å
342	L	83.8	Confident	88	Confident	114 Å²	114	60.4 Å²	60.4	60%	0.597	30%	0.304	S	S	*	.			trans	-45.3	123	175.5	-177.5	67.9	0	0	0	111.3	C344 Q367	L342-C344 HydrophobicContact CD2-CB 4.32Å; L342-C344 HydrophobicContact CG-CB 4.24Å; L342-C344 PolarHBondContact O-N 2.93Å; L342-Q367 PolarHBondContact O-NE2 3.48Å
343	H	86.1	Confident	87.5	Confident	53 Å²	53	62 Å²	62	25%	0.245	31%	0.31	C	S	.	.			trans	-80.5	98	177.7	-171.4	44.6	0	0	0	109.2	S333 Q336 I341 W666	S333-H343 VanDerWaalsContact CB-CE1 3.49Å; S333-H343 WeakPolarHBondContact CB-CE1 3.38Å; S333-H343 PolarHBondContact OG-CE1 3.38Å; Q336-H343 PolarHBondContact OE1-ND1 3.43Å; I341-H343 PolarHBondContact O-N 2.57Å; H343-W666 AromaticContact CD2-CD1 3.26Å; H343-W666 AromaticContact CD2-CG 3.89Å; H343-W666 AromaticContact CD2-NE1 3.64Å; H343-W666 AromaticContact CE1-CD1 3.45Å; H343-W666 VanDerWaalsContact CE1-CD1 3.45Å; H343-W666 AromaticContact CE1-CD2 3.72Å; H343-W666 AromaticContact CE1-CE2 3.37Å; H343-W666 AromaticContact CE1-CG 3.78Å; H343-W666 AromaticContact CE1-CZ2 3.97Å; H343-W666 AromaticContact CE1-NE1 3.16Å; H343-W666 PolarHBondContact CE1-NE1 2.98Å; H343-W666 AromaticContact CG-CD1 3.52Å; H343-W666 AromaticContact CG-NE1 3.44Å; H343-W666 AromaticContact ND1-CD1 3.65Å; H343-W666 AromaticContact ND1-CE2 3.71Å; H343-W666 AromaticContact ND1-NE1 3.15Å; H343-W666 PolarHBondContact ND1-NE1 2.94Å; H343-W666 VanDerWaalsContact ND1-NE1 3.15Å; H343-W666 AromaticContact NE2-CD1 3.24Å; H343-W666 AromaticContact NE2-CD2 3.84Å; H343-W666 AromaticContact NE2-CE2 3.9Å; H343-W666 AromaticContact NE2-CG 3.45Å; H343-W666 AromaticContact NE2-NE1 3.51Å; H343-W666 PolarHBondContact O-NE1 3.37Å
344	C	88.6	Confident	87.4	Confident	6 Å²	6	61.6 Å²	61.6	4%	0.041	31%	0.307	C	S	.	.			trans	-147.5	155.7	-177.8	63.2	0	0	0	0	112.9	Q336 L342 R363 Q367 W666	Q336-C344 PolarHBondContact NE2-O 3.34Å; Q336-C344 PolarHBondContact OE1-O 3.2Å; L342-C344 HydrophobicContact CD2-CB 4.32Å; L342-C344 HydrophobicContact CG-CB 4.24Å; L342-C344 PolarHBondContact O-N 2.93Å; C344-R363 VanDerWaalsContact SG-CD 3.51Å; C344-Q367 PolarHBondContact SG-NE2 2.67Å; C344-W666 WeakPolarHBondContact O-CZ2 3.37Å
345	M	89.3	Confident	87.2	Confident	50 Å²	50	59.9 Å²	59.9	25%	0.246	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-76.8	163.4	173.3	-62.8	-168.4	-63.9	0	0	111.4	R363 G664 E665 W666	M345-R363 PolarHBondContact O-NH1 2.73Å; M345-G664 PolarHBondContact N-O 3.25Å; M345-E665 WeakPolarHBondContact CE-O 3.32Å; M345-W666 HydrophobicContact CG-CD2 3.9Å; M345-W666 HydrophobicContact CG-CE3 3.98Å; M345-W666 HydrophobicContact CG-CG 4.47Å; M345-W666 HydrophobicContact CG-CH2 4.26Å; M345-W666 HydrophobicContact CG-CZ2 4.19Å; M345-W666 HydrophobicContact CG-CZ3 4.17Å
346	L	93.1	Very high	87	Confident	5 Å²	5	59.1 Å²	59.1	3%	0.026	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-77.4	138.3	167.2	-57	-173.2	0	0	0	110.2	V319 F322 Q323 L332 R363 L364 Q367 I371	V319-L346 HydrophobicContact CG1-CB 4.1Å; V319-L346 HydrophobicContact CG2-CB 4.3Å; F322-L346 HydrophobicContact CB-CD1 3.85Å; F322-L346 HydrophobicContact CB-CG 4.38Å; F322-L346 HydrophobicContact CD2-CD1 3.57Å; F322-L346 HydrophobicContact CE2-CD1 4.3Å; F322-L346 HydrophobicContact CG-CD1 3.77Å; Q323-L346 PolarHBondContact NE2-O 3.5Å; L332-L346 HydrophobicContact CD2-CD2 4.27Å; L332-L346 HydrophobicContact CD2-CG 3.99Å; L346-R363 HydrophobicContact CD2-CG 4.03Å; L346-L364 HydrophobicContact CD1-CD2 4.11Å; L346-Q367 HydrophobicContact CD2-CB 4Å; L346-Q367 HydrophobicContact CD2-CG 4.04Å; L346-I371 HydrophobicContact CD1-CD1 3.96Å; L346-I371 HydrophobicContact CD1-CG1 4.24Å; L346-I371 HydrophobicContact CD2-CD1 4Å; L346-I371 HydrophobicContact CD2-CG1 4.47Å
347	V	91.1	Very high	87	Confident	20 Å²	20	59.4 Å²	59.4	12%	0.121	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-97.1	139.3	179.4	-103.8	0	0	0	0	111.1	M360 R363	V347-M360 WeakPolarHBondContact O-CB 3.5Å; V347-M360 VanDerWaalsContact O-CG 3.28Å; V347-M360 WeakPolarHBondContact O-CG 3.41Å; V347-R363 HydrophobicContact CG2-CB 3.41Å; V347-R363 VanDerWaalsContact CG2-CB 3.41Å; V347-R363 HydrophobicContact CG2-CG 3.62Å
348	S	87.6	Confident	87.1	Confident	25 Å²	25	53.7 Å²	53.7	18%	0.175	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-99.6	149.9	179.3	57	0	0	0	0	111.8	R350	S348-R350 VanDerWaalsContact C-N 3.25Å; S348-R350 PolarHBondContact O-N 2.93Å; S348-R350 WeakPolarHBondContact OG-CD 3.27Å; S348-R350 WeakPolarHBondContact OG-CG 3.24Å; S348-R350 PolarHBondContact OG-NE 3.18Å
349	D	88.6	Confident	87.2	Confident	20 Å²	20	49.3 Å²	49.3	11%	0.107	27%	0.266	C	S	.	.			trans	-89.1	38.4	176.9	76.7	-27.4	0	0	0	113.7	R316 V351 S356 T357 M360	R316-D349 VanDerWaalsContact CD-OD1 3.29Å; R316-D349 WeakPolarHBondContact CD-OD1 3.42Å; R316-D349 VanDerWaalsContact CG-OD1 3.23Å; R316-D349 WeakPolarHBondContact CG-OD1 3.27Å; R316-D349 IonicContact CZ-OD1 2.66Å; R316-D349 IonicContact CZ-OD2 3.3Å; R316-D349 VanDerWaalsContact NE-CG 3.26Å; R316-D349 IonicContact NE-OD1 3.14Å; R316-D349 PolarHBondContact NE-OD1 3.41Å; R316-D349 IonicContact NE-OD2 3.57Å; R316-D349 PolarHBondContact NE-OD2 2.88Å; R316-D349 IonicContact NH2-OD2 2.68Å; R316-D349 PolarHBondContact NH2-OD2 2.71Å; D349-V351 PolarHBondContact O-N 2.88Å; D349-S356 WeakPolarHBondContact CA-OG 3.34Å; D349-T357 PolarHBondContact OD2-OG1 3.42Å; D349-T357 VanDerWaalsContact OD2-OG1 3.12Å; D349-M360 HydrophobicContact CB-CB 4.31Å; D349-M360 HydrophobicContact CB-CE 4.1Å; D349-M360 HydrophobicContact CB-SD 4.15Å
350	R	76.2	Confident	87.5	Confident	183 Å²	183	45.6 Å²	45.6	69%	0.691	25%	0.248	S	C	*	.			trans	-63.4	-28.2	-176.5	-66.6	176.3	-164.8	-157.7	3.9	112.9	S348 S352	S348-R350 VanDerWaalsContact C-N 3.25Å; S348-R350 PolarHBondContact O-N 2.93Å; S348-R350 WeakPolarHBondContact OG-CD 3.27Å; S348-R350 WeakPolarHBondContact OG-CG 3.24Å; S348-R350 PolarHBondContact OG-NE 3.18Å; R350-S352 PolarHBondContact O-N 3.05Å
351	V	74.1	Confident	87.9	Confident	29 Å²	29	38.3 Å²	38.3	18%	0.176	21%	0.209	C	C	.	.	S	Bend	trans	-69.2	126	174.7	-177.8	0	0	0	0	108.7	D349 W353 S356 N626	D349-V351 PolarHBondContact O-N 2.88Å; V351-W353 HydrophobicContact CG1-CB 4.13Å; V351-W353 PolarHBondContact O-N 3Å; V351-S356 PolarHBondContact O-OG 3.03Å; V351-N626 VanDerWaalsContact CG1-ND2 3.31Å; V351-N626 WeakPolarHBondContact CG1-ND2 3.44Å; V351-N626 WeakPolarHBondContact CG1-OD1 3.38Å; V351-N626 WeakPolarHBondContact CG2-ND2 3.3Å
352	S	72.1	Confident	88.3	Confident	122 Å²	122	37.4 Å²	37.4	85%	0.853	20%	0.203	S	C	*	.	S	Bend	trans	-72.9	61.7	-177.6	-164.8	0	0	0	0	112.6	R350	R350-S352 PolarHBondContact O-N 3.05Å
353	W	82.4	Confident	88.9	Confident	34 Å²	34	34.1 Å²	34.1	13%	0.129	18%	0.183	C	C	.	.	S	Bend	trans	-152.7	143.2	-176.3	173.7	-120.6	0	0	0	110.2	N296 V351 G355 S356 F621	N296-W353 HydrophobicContact CB-CE3 4.34Å; N296-W353 HydrophobicContact CB-CZ3 3.74Å; V351-W353 HydrophobicContact CG1-CB 4.13Å; V351-W353 PolarHBondContact O-N 3Å; W353-G355 PolarHBondContact O-N 3.47Å; W353-S356 PolarHBondContact O-N 3.21Å; W353-S356 PolarHBondContact O-OG 3.05Å; W353-F621 AromaticContact CH2-CD1 3.34Å; W353-F621 HydrophobicContact CH2-CD1 3.34Å; W353-F621 AromaticContact CH2-CE1 3.67Å; W353-F621 HydrophobicContact CH2-CE1 3.67Å; W353-F621 HydrophobicContact CZ2-CB 4.28Å; W353-F621 AromaticContact CZ2-CD1 3.36Å; W353-F621 HydrophobicContact CZ2-CD1 3.36Å; W353-F621 HydrophobicContact CZ2-CE1 4.09Å; W353-F621 HydrophobicContact CZ2-CG 4.27Å; W353-F621 HydrophobicContact CZ3-CD1 4.42Å; W353-F621 PolarHBondContact NE1-O 3.21Å
354	W	91.1	Very high	89.4	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-66.5	-21	-178.9	59	-98.5	0	0	0	114	I299 F303 S356 T357 L358 F404 K405	I299-W354 HydrophobicContact CB-CB 4.35Å; I299-W354 HydrophobicContact CB-CG 4.31Å; I299-W354 HydrophobicContact CD1-CD2 3.71Å; I299-W354 HydrophobicContact CD1-CE3 4.36Å; I299-W354 HydrophobicContact CD1-CG 3.78Å; I299-W354 HydrophobicContact CD1-CZ2 4.4Å; I299-W354 HydrophobicContact CG2-CB 3.53Å; I299-W354 HydrophobicContact CG2-CG 3.93Å; F303-W354 HydrophobicContact CE2-CB 3.84Å; F303-W354 HydrophobicContact CZ-CB 4.24Å; W354-S356 VanDerWaalsContact C-N 3.32Å; W354-S356 PolarHBondContact O-N 2.89Å; W354-T357 WeakPolarHBondContact O-CB 3.41Å; W354-T357 PolarHBondContact O-N 3.07Å; W354-L358 HydrophobicContact CZ3-CD2 4.27Å; W354-L358 PolarHBondContact O-N 2.88Å; W354-F404 HydrophobicContact CH2-CB 3.66Å; W354-F404 HydrophobicContact CZ2-CB 3.97Å; W354-F404 HydrophobicContact CZ3-CB 4.14Å; W354-K405 HydrophobicContact CH2-CB 4.34Å; W354-K405 HydrophobicContact CZ3-CB 4.19Å
355	G	89.9	Confident	89.7	Confident	19 Å²	19	34.7 Å²	34.7	20%	0.196	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-32	176.2	0	0	0	0	0	113.1	W353 L358 A359	W353-G355 PolarHBondContact O-N 3.47Å; G355-L358 PolarHBondContact O-N 2.9Å; G355-A359 WeakPolarHBondContact O-CB 3.48Å; G355-A359 PolarHBondContact O-N 3.19Å
356	S	89	Confident	89.9	Confident	16 Å²	16	37.3 Å²	37.3	11%	0.112	20%	0.196	C	C	.	.	H	α-helix	trans	-71.1	-37.8	174.4	73	0	0	0	0	111.1	D349 V351 W353 W354 A359 M360	D349-S356 WeakPolarHBondContact CA-OG 3.34Å; V351-S356 PolarHBondContact O-OG 3.03Å; W353-S356 PolarHBondContact O-N 3.21Å; W353-S356 PolarHBondContact O-OG 3.05Å; W354-S356 VanDerWaalsContact C-N 3.32Å; W354-S356 PolarHBondContact O-N 2.89Å; S356-A359 PolarHBondContact O-N 3.49Å; S356-M360 WeakPolarHBondContact O-CB 3.35Å; S356-M360 PolarHBondContact O-N 3.36Å
357	T	93.9	Very high	90	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-45.4	170.9	-53.7	0	0	0	0	110.6	F303 L312 D349 W354 A359 M360 L361	F303-T357 HydrophobicContact CE2-CG2 3.86Å; F303-T357 HydrophobicContact CZ-CG2 3.87Å; L312-T357 HydrophobicContact CD1-CG2 4.46Å; L312-T357 HydrophobicContact CD2-CG2 3.68Å; D349-T357 PolarHBondContact OD2-OG1 3.42Å; D349-T357 VanDerWaalsContact OD2-OG1 3.12Å; W354-T357 WeakPolarHBondContact O-CB 3.41Å; W354-T357 PolarHBondContact O-N 3.07Å; T357-A359 PolarHBondContact O-N 3.12Å; T357-M360 HydrophobicContact CG2-CE 4.45Å; T357-M360 PolarHBondContact O-N 2.78Å; T357-L361 HydrophobicContact CG2-CD1 4.22Å; T357-L361 HydrophobicContact CG2-CG 4.39Å; T357-L361 WeakPolarHBondContact O-CB 3.43Å; T357-L361 VanDerWaalsContact O-CG 3.25Å; T357-L361 WeakPolarHBondContact O-CG 3.3Å; T357-L361 PolarHBondContact O-N 2.81Å
358	L	95.5	Very high	90.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.7	-46.8	175.1	179.1	56.4	0	0	0	111.7	W354 G355 M360 L361 Q362 V398 L401 K405	W354-L358 HydrophobicContact CZ3-CD2 4.27Å; W354-L358 PolarHBondContact O-N 2.88Å; G355-L358 PolarHBondContact O-N 2.9Å; L358-M360 PolarHBondContact O-N 3.45Å; L358-L361 PolarHBondContact O-N 2.69Å; L358-Q362 HydrophobicContact CD1-CG 4.1Å; L358-Q362 HydrophobicContact CG-CG 4.45Å; L358-Q362 WeakPolarHBondContact O-CB 3.35Å; L358-Q362 VanDerWaalsContact O-CG 3.3Å; L358-Q362 WeakPolarHBondContact O-CG 3.48Å; L358-Q362 PolarHBondContact O-N 3.46Å; L358-V398 HydrophobicContact CD1-CB 4.32Å; L358-V398 HydrophobicContact CD1-CG1 4.22Å; L358-V398 HydrophobicContact CD1-CG2 4.23Å; L358-L401 HydrophobicContact CB-CD1 4.3Å; L358-L401 HydrophobicContact CD1-CB 3.81Å; L358-L401 HydrophobicContact CD1-CD1 4.28Å; L358-L401 HydrophobicContact CD2-CB 3.95Å; L358-L401 HydrophobicContact CG-CB 4.31Å; L358-K405 HydrophobicContact CD2-CB 3.86Å; L358-K405 HydrophobicContact CD2-CD 3.85Å; L358-K405 HydrophobicContact CD2-CG 4.36Å
359	A	92.9	Very high	90.5	Very high	38 Å²	38	44.5 Å²	44.5	31%	0.314	22%	0.223	S	C	.	.	H	α-helix	trans	-60.6	-43.7	178	0	0	0	0	0	112.4	G355 S356 T357 Q362 R363	G355-A359 WeakPolarHBondContact O-CB 3.48Å; G355-A359 PolarHBondContact O-N 3.19Å; S356-A359 PolarHBondContact O-N 3.49Å; T357-A359 PolarHBondContact O-N 3.12Å; A359-Q362 PolarHBondContact O-N 2.97Å; A359-R363 WeakPolarHBondContact O-CB 3.26Å; A359-R363 PolarHBondContact O-N 3.14Å
360	M	95.6	Very high	90.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-58.7	-49.2	173.9	175.7	178.9	72.3	0	0	111.4	C315 R316 V319 V347 D349 S356 T357 L358 Q362 R363 L364	C315-M360 HydrophobicContact CB-CE 3.94Å; R316-M360 HydrophobicContact CG-CE 4.08Å; R316-M360 HydrophobicContact CG-SD 4.12Å; V319-M360 HydrophobicContact CG2-CG 3.93Å; V319-M360 HydrophobicContact CG2-SD 4.04Å; V347-M360 WeakPolarHBondContact O-CB 3.5Å; V347-M360 VanDerWaalsContact O-CG 3.28Å; V347-M360 WeakPolarHBondContact O-CG 3.41Å; D349-M360 HydrophobicContact CB-CB 4.31Å; D349-M360 HydrophobicContact CB-CE 4.1Å; D349-M360 HydrophobicContact CB-SD 4.15Å; S356-M360 WeakPolarHBondContact O-CB 3.35Å; S356-M360 PolarHBondContact O-N 3.36Å; T357-M360 HydrophobicContact CG2-CE 4.45Å; T357-M360 PolarHBondContact O-N 2.78Å; L358-M360 PolarHBondContact O-N 3.45Å; M360-Q362 PolarHBondContact O-N 3.27Å; M360-R363 PolarHBondContact O-N 2.95Å; M360-L364 HydrophobicContact CG-CD1 4.03Å; M360-L364 HydrophobicContact CG-CG 4.48Å; M360-L364 WeakPolarHBondContact O-CB 3.22Å; M360-L364 WeakPolarHBondContact O-CG 3.48Å; M360-L364 PolarHBondContact O-N 2.65Å
361	L	97.5	Very high	91.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-40.4	-179.3	-68.1	-178.6	0	0	0	112.3	L312 C315 T357 L358 K365 I394 L397 V398	L312-L361 HydrophobicContact CD2-CD1 4.13Å; L312-L361 HydrophobicContact CD2-CD2 4.09Å; L312-L361 HydrophobicContact CD2-CG 4.44Å; C315-L361 HydrophobicContact CB-CD2 4.48Å; T357-L361 HydrophobicContact CG2-CD1 4.22Å; T357-L361 HydrophobicContact CG2-CG 4.39Å; T357-L361 WeakPolarHBondContact O-CB 3.43Å; T357-L361 VanDerWaalsContact O-CG 3.25Å; T357-L361 WeakPolarHBondContact O-CG 3.3Å; T357-L361 PolarHBondContact O-N 2.81Å; L358-L361 PolarHBondContact O-N 2.69Å; L361-K365 WeakPolarHBondContact O-CB 3.33Å; L361-K365 PolarHBondContact O-N 2.95Å; L361-I394 HydrophobicContact CB-CG2 4.14Å; L361-I394 HydrophobicContact CD2-CG1 4.1Å; L361-I394 HydrophobicContact CD2-CG2 4.1Å; L361-L397 HydrophobicContact CD1-CB 3.93Å; L361-L397 HydrophobicContact CD1-CD1 3.93Å; L361-V398 HydrophobicContact CB-CG2 3.76Å
362	Q	96.6	Very high	92.6	Very high	43 Å²	43	35.3 Å²	35.3	20%	0.201	19%	0.192	C	C	.	.	H	α-helix	trans	-61	-49.7	174.1	-73	-178.9	-74	0	0	111.2	L358 A359 M360 L364 K365 E366 V398	L358-Q362 HydrophobicContact CD1-CG 4.1Å; L358-Q362 HydrophobicContact CG-CG 4.45Å; L358-Q362 WeakPolarHBondContact O-CB 3.35Å; L358-Q362 VanDerWaalsContact O-CG 3.3Å; L358-Q362 WeakPolarHBondContact O-CG 3.48Å; L358-Q362 PolarHBondContact O-N 3.46Å; A359-Q362 PolarHBondContact O-N 2.97Å; M360-Q362 PolarHBondContact O-N 3.27Å; Q362-L364 PolarHBondContact O-N 2.87Å; Q362-K365 WeakPolarHBondContact O-CB 3.43Å; Q362-K365 PolarHBondContact O-N 2.94Å; Q362-K365 VanDerWaalsContact O-N 3.17Å; Q362-E366 WeakPolarHBondContact O-CG 3.31Å; Q362-E366 PolarHBondContact O-N 3.31Å; Q362-V398 HydrophobicContact CG-CG1 3.82Å; Q362-V398 HydrophobicContact CG-CG2 4.12Å
363	R	95.3	Very high	93.6	Very high	46 Å²	46	30.8 Å²	30.8	17%	0.174	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-41.3	179.2	-177.1	61.1	56.4	86	1.2	112.3	C344 M345 L346 V347 A359 M360 K365 E366 Q367	C344-R363 VanDerWaalsContact SG-CD 3.51Å; M345-R363 PolarHBondContact O-NH1 2.73Å; L346-R363 HydrophobicContact CD2-CG 4.03Å; V347-R363 HydrophobicContact CG2-CB 3.41Å; V347-R363 VanDerWaalsContact CG2-CB 3.41Å; V347-R363 HydrophobicContact CG2-CG 3.62Å; A359-R363 WeakPolarHBondContact O-CB 3.26Å; A359-R363 PolarHBondContact O-N 3.14Å; M360-R363 PolarHBondContact O-N 2.95Å; R363-K365 VanDerWaalsContact C-N 3.33Å; R363-K365 PolarHBondContact O-N 3.34Å; R363-E366 IonicContact NE-OE2 2.77Å; R363-E366 PolarHBondContact O-N 3.08Å; R363-Q367 WeakPolarHBondContact O-CB 3.32Å; R363-Q367 WeakPolarHBondContact O-CG 3.32Å; R363-Q367 PolarHBondContact O-N 3.02Å
364	L	96.5	Very high	94.2	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-61.3	-42.7	175.4	-76.6	174.4	0	0	0	111.5	C315 L318 V319 L346 M360 Q362 Q367 Q368 I371 W391	C315-L364 HydrophobicContact CB-CD1 3.69Å; L318-L364 HydrophobicContact CD2-CD2 3.87Å; L318-L364 HydrophobicContact CG-CD2 4.32Å; V319-L364 HydrophobicContact CG2-CD1 4.09Å; V319-L364 HydrophobicContact CG2-CD2 3.82Å; V319-L364 HydrophobicContact CG2-CG 4.09Å; L346-L364 HydrophobicContact CD1-CD2 4.11Å; M360-L364 HydrophobicContact CG-CD1 4.03Å; M360-L364 HydrophobicContact CG-CG 4.48Å; M360-L364 WeakPolarHBondContact O-CB 3.22Å; M360-L364 WeakPolarHBondContact O-CG 3.48Å; M360-L364 PolarHBondContact O-N 2.65Å; Q362-L364 PolarHBondContact O-N 2.87Å; L364-Q367 CarbonylContact O-C 3.54Å; L364-Q367 PolarHBondContact O-N 2.75Å; L364-Q368 WeakPolarHBondContact O-CA 3.45Å; L364-Q368 PolarHBondContact O-N 2.99Å; L364-I371 HydrophobicContact CD2-CD1 3.69Å; L364-W391 HydrophobicContact CB-CH2 4.18Å; L364-W391 HydrophobicContact CB-CZ3 4.07Å; L364-W391 WeakPolarHBondContact O-CH2 3.33Å; L364-W391 WeakPolarHBondContact O-CZ3 3.42Å
365	K	95.4	Very high	94.3	Very high	70 Å²	70	29.1 Å²	29.1	30%	0.304	16%	0.156	S	C	.	.	H	α-helix	trans	-64	-46.8	176.6	-173.5	-175.7	-178.5	-176.1	0	111.6	L361 Q362 R363 Q367 Q368 E395	L361-K365 WeakPolarHBondContact O-CB 3.33Å; L361-K365 PolarHBondContact O-N 2.95Å; Q362-K365 WeakPolarHBondContact O-CB 3.43Å; Q362-K365 PolarHBondContact O-N 2.94Å; Q362-K365 VanDerWaalsContact O-N 3.17Å; R363-K365 VanDerWaalsContact C-N 3.33Å; R363-K365 PolarHBondContact O-N 3.34Å; K365-Q367 PolarHBondContact O-N 3.07Å; K365-Q368 WeakPolarHBondContact O-CB 3.39Å; K365-Q368 PolarHBondContact O-N 2.92Å; K365-E395 WeakPolarHBondContact CE-OE1 3.33Å; K365-E395 VanDerWaalsContact NZ-CD 3.29Å; K365-E395 IonicContact NZ-OE1 3.57Å; K365-E395 PolarHBondContact NZ-OE1 3.01Å
366	E	94.6	Very high	94.4	Very high	104 Å²	104	32.7 Å²	32.7	49%	0.486	17%	0.173	S	C	.	.	H	α-helix	trans	-58	-35.6	177.2	-72.9	164.3	-172.5	0	0	112.3	Q362 R363	Q362-E366 WeakPolarHBondContact O-CG 3.31Å; Q362-E366 PolarHBondContact O-N 3.31Å; R363-E366 IonicContact NE-OE2 2.77Å; R363-E366 PolarHBondContact O-N 3.08Å
367	Q	94.6	Very high	94.5	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.009	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	9.6	-175.9	-61.4	-66.1	-34.9	0	0	113.4	Q336 L342 C344 L346 R363 L364 K365 F369 V370 I371	Q336-Q367 VanDerWaalsContact NE2-CD 3.3Å; L342-Q367 PolarHBondContact O-NE2 3.48Å; C344-Q367 PolarHBondContact SG-NE2 2.67Å; L346-Q367 HydrophobicContact CD2-CB 4Å; L346-Q367 HydrophobicContact CD2-CG 4.04Å; R363-Q367 WeakPolarHBondContact O-CB 3.32Å; R363-Q367 WeakPolarHBondContact O-CG 3.32Å; R363-Q367 PolarHBondContact O-N 3.02Å; L364-Q367 CarbonylContact O-C 3.54Å; L364-Q367 PolarHBondContact O-N 2.75Å; K365-Q367 PolarHBondContact O-N 3.07Å; Q367-F369 PolarHBondContact O-N 3.44Å; Q367-V370 PolarHBondContact O-N 2.7Å; Q367-V370 VanDerWaalsContact O-N 3.12Å; Q367-I371 HydrophobicContact CB-CD1 3.83Å; Q367-I371 HydrophobicContact CB-CG1 4.12Å; Q367-I371 WeakPolarHBondContact O-CB 3.36Å; Q367-I371 VanDerWaalsContact O-CG1 3.3Å; Q367-I371 WeakPolarHBondContact O-CG1 3.5Å; Q367-I371 PolarHBondContact O-N 3.35Å
368	Q	94.6	Very high	94.2	Very high	52 Å²	52	38.4 Å²	38.4	24%	0.243	20%	0.199	C	C	.	.	H	α-helix	trans	-50.7	-50.1	-170.6	174.2	178.9	-3.3	0	0	113.5	L364 K365 A372 W391	L364-Q368 WeakPolarHBondContact O-CA 3.45Å; L364-Q368 PolarHBondContact O-N 2.99Å; K365-Q368 WeakPolarHBondContact O-CB 3.39Å; K365-Q368 PolarHBondContact O-N 2.92Å; Q368-A372 WeakPolarHBondContact O-CB 3.45Å; Q368-A372 PolarHBondContact O-N 2.89Å; Q368-W391 HydrophobicContact CB-CE3 4.46Å; Q368-W391 HydrophobicContact CB-CH2 4.08Å; Q368-W391 HydrophobicContact CB-CZ2 4.26Å; Q368-W391 HydrophobicContact CB-CZ3 4.19Å; Q368-W391 HydrophobicContact CG-CD2 3.86Å; Q368-W391 HydrophobicContact CG-CE3 4.15Å; Q368-W391 HydrophobicContact CG-CG 4.43Å; Q368-W391 HydrophobicContact CG-CH2 4.1Å; Q368-W391 HydrophobicContact CG-CZ2 3.8Å; Q368-W391 HydrophobicContact CG-CZ3 4.27Å
369	F	93.5	Very high	93.6	Very high	147 Å²	147	42.6 Å²	42.6	65%	0.645	23%	0.228	S	C	*	.	H	α-helix	trans	-71.3	-35.2	-177	-62.6	-66.3	0	0	0	112.9	Q367 A373	Q367-F369 PolarHBondContact O-N 3.44Å; F369-A373 WeakPolarHBondContact O-CB 3.27Å; F369-A373 PolarHBondContact O-N 3.36Å
370	V	95.1	Very high	93.5	Very high	1 Å²	1	47 Å²	47	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-67.2	-47.5	176.6	-176	0	0	0	0	109.8	L332 K335 Q336 I341 Q367 A372 A373 V374	L332-V370 HydrophobicContact CD1-CB 4.36Å; L332-V370 HydrophobicContact CD1-CG1 3.62Å; L332-V370 HydrophobicContact CG-CG1 4.41Å; K335-V370 HydrophobicContact CB-CG1 3.53Å; Q336-V370 HydrophobicContact CG-CG1 3.86Å; Q336-V370 HydrophobicContact CG-CG2 4.32Å; I341-V370 HydrophobicContact CD1-CG2 3.86Å; Q367-V370 PolarHBondContact O-N 2.7Å; Q367-V370 VanDerWaalsContact O-N 3.12Å; V370-A372 VanDerWaalsContact C-N 3.32Å; V370-A372 PolarHBondContact O-N 3.07Å; V370-A373 WeakPolarHBondContact O-CB 3.45Å; V370-A373 PolarHBondContact O-N 3.42Å; V370-A373 VanDerWaalsContact O-N 3.15Å; V370-V374 WeakPolarHBondContact O-CG2 3.32Å; V370-V374 PolarHBondContact O-N 3.29Å
371	I	94.9	Very high	93.3	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-56.7	-47.7	176.5	-69.7	165.5	0	0	0	110.2	L318 F322 L332 L346 L364 Q367 A373 V374 L375	L318-I371 HydrophobicContact CD1-CG2 4.01Å; L318-I371 HydrophobicContact CD2-CG2 4.18Å; F322-I371 HydrophobicContact CE2-CG1 4.4Å; F322-I371 HydrophobicContact CE2-CG2 3.96Å; F322-I371 HydrophobicContact CZ-CG1 4.49Å; F322-I371 HydrophobicContact CZ-CG2 4.25Å; L332-I371 HydrophobicContact CD1-CG1 4.15Å; L346-I371 HydrophobicContact CD1-CD1 3.96Å; L346-I371 HydrophobicContact CD1-CG1 4.24Å; L346-I371 HydrophobicContact CD2-CD1 4Å; L346-I371 HydrophobicContact CD2-CG1 4.47Å; L364-I371 HydrophobicContact CD2-CD1 3.69Å; Q367-I371 HydrophobicContact CB-CD1 3.83Å; Q367-I371 HydrophobicContact CB-CG1 4.12Å; Q367-I371 WeakPolarHBondContact O-CB 3.36Å; Q367-I371 VanDerWaalsContact O-CG1 3.3Å; Q367-I371 WeakPolarHBondContact O-CG1 3.5Å; Q367-I371 PolarHBondContact O-N 3.35Å; I371-A373 VanDerWaalsContact C-N 3.33Å; I371-A373 PolarHBondContact O-N 3.44Å; I371-V374 PolarHBondContact O-N 3.21Å; I371-L375 HydrophobicContact CG2-CD1 3.93Å; I371-L375 HydrophobicContact CG2-CG 4.38Å; I371-L375 WeakPolarHBondContact O-CG 3.15Å; I371-L375 PolarHBondContact O-N 3.33Å
372	A	93.6	Very high	92.9	Very high	37 Å²	37	52.7 Å²	52.7	31%	0.306	27%	0.274	S	S	.	.	H	α-helix	trans	-60	-42.8	177.9	0	0	0	0	0	111.9	Q368 V370 V374 L375 V376	Q368-A372 WeakPolarHBondContact O-CB 3.45Å; Q368-A372 PolarHBondContact O-N 2.89Å; V370-A372 VanDerWaalsContact C-N 3.32Å; V370-A372 PolarHBondContact O-N 3.07Å; A372-V374 PolarHBondContact O-N 3.42Å; A372-L375 PolarHBondContact O-N 2.74Å; A372-V376 VanDerWaalsContact O-CG2 3.24Å; A372-V376 WeakPolarHBondContact O-CG2 3.26Å; A372-V376 PolarHBondContact O-N 3.14Å
373	A	93.5	Very high	92.6	Very high	26 Å²	26	56.9 Å²	56.9	22%	0.215	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-42.1	178	0	0	0	0	0	112.6	K335 F369 V370 I371 E377	K335-A373 HydrophobicContact CD-CB 4.39Å; F369-A373 WeakPolarHBondContact O-CB 3.27Å; F369-A373 PolarHBondContact O-N 3.36Å; V370-A373 WeakPolarHBondContact O-CB 3.45Å; V370-A373 PolarHBondContact O-N 3.42Å; V370-A373 VanDerWaalsContact O-N 3.15Å; I371-A373 VanDerWaalsContact C-N 3.33Å; I371-A373 PolarHBondContact O-N 3.44Å; A373-E377 PolarHBondContact O-N 3.12Å
374	V	94.3	Very high	92.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.2	-47.4	176.2	176.6	0	0	0	0	111	F322 M331 K335 V370 I371 A372 V376 E377 D378	F322-V374 HydrophobicContact CE1-CB 4.09Å; F322-V374 HydrophobicContact CE1-CG1 3.76Å; F322-V374 HydrophobicContact CE1-CG2 4.3Å; F322-V374 HydrophobicContact CZ-CB 4.02Å; F322-V374 HydrophobicContact CZ-CG1 3.93Å; M331-V374 HydrophobicContact CB-CG1 3.79Å; M331-V374 HydrophobicContact CB-CG2 4.02Å; M331-V374 HydrophobicContact CE-CG1 3.78Å; M331-V374 HydrophobicContact SD-CG1 4.38Å; K335-V374 HydrophobicContact CB-CG2 4.34Å; K335-V374 HydrophobicContact CG-CG2 3.84Å; V370-V374 WeakPolarHBondContact O-CG2 3.32Å; V370-V374 PolarHBondContact O-N 3.29Å; I371-V374 PolarHBondContact O-N 3.21Å; A372-V374 PolarHBondContact O-N 3.42Å; V374-V376 VanDerWaalsContact C-N 3.3Å; V374-V376 PolarHBondContact O-N 3.26Å; V374-E377 PolarHBondContact O-N 2.87Å; V374-E377 VanDerWaalsContact O-N 3.12Å; V374-D378 PolarHBondContact O-N 2.69Å
375	L	94.2	Very high	92.4	Very high	2 Å²	2	60 Å²	60	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-63.8	-36.8	-179.1	-69.3	178	0	0	0	111.4	L318 Y321 I371 A372 E377 D378 N381 H382 L384 M385	L318-L375 HydrophobicContact CD1-CD1 3.89Å; Y321-L375 HydrophobicContact CE1-CD2 4.03Å; I371-L375 HydrophobicContact CG2-CD1 3.93Å; I371-L375 HydrophobicContact CG2-CG 4.38Å; I371-L375 WeakPolarHBondContact O-CG 3.15Å; I371-L375 PolarHBondContact O-N 3.33Å; A372-L375 PolarHBondContact O-N 2.74Å; L375-E377 PolarHBondContact O-N 3.02Å; L375-D378 CarbonylContact O-C 3.5Å; L375-D378 PolarHBondContact O-N 3.42Å; L375-N381 HydrophobicContact CD2-CB 4.39Å; L375-H382 PolarHBondContact O-CD2 3.45Å; L375-H382 PolarHBondContact O-NE2 3.17Å; L375-L384 HydrophobicContact CD1-CB 4.36Å; L375-L384 HydrophobicContact CD2-CB 4.32Å; L375-M385 HydrophobicContact CD1-CB 4.17Å
376	V	92.3	Very high	92.4	Very high	93 Å²	93	57.1 Å²	57.1	56%	0.564	30%	0.3	S	S	*	.	H	α-helix	trans	-58.7	-36.6	175.2	167.3	0	0	0	0	111.9	A372 V374 H382	A372-V376 VanDerWaalsContact O-CG2 3.24Å; A372-V376 WeakPolarHBondContact O-CG2 3.26Å; A372-V376 PolarHBondContact O-N 3.14Å; V374-V376 VanDerWaalsContact C-N 3.3Å; V374-V376 PolarHBondContact O-N 3.26Å; V376-H382 PolarHBondContact O-NE2 2.71Å
377	E	89.9	Confident	92.4	Very high	114 Å²	114	57.7 Å²	57.7	53%	0.533	30%	0.302	S	S	.	.	H	α-helix	trans	-78.2	-29.6	177.9	-68.9	179.6	-178.1	0	0	113.2	K335 A373 V374 L375 S379	K335-E377 WeakPolarHBondContact CE-OE1 3.34Å; K335-E377 VanDerWaalsContact CE-OE2 3.32Å; K335-E377 WeakPolarHBondContact CE-OE2 3.21Å; K335-E377 VanDerWaalsContact NZ-CD 3.35Å; K335-E377 IonicContact NZ-OE1 3.45Å; K335-E377 PolarHBondContact NZ-OE1 3.29Å; K335-E377 IonicContact NZ-OE2 2.65Å; K335-E377 PolarHBondContact NZ-OE2 2.99Å; A373-E377 PolarHBondContact O-N 3.12Å; V374-E377 PolarHBondContact O-N 2.87Å; V374-E377 VanDerWaalsContact O-N 3.12Å; L375-E377 PolarHBondContact O-N 3.02Å; E377-S379 PolarHBondContact O-N 3.38Å
378	D	89	Confident	92.5	Very high	28 Å²	28	61.1 Å²	61.1	15%	0.15	33%	0.331	C	S	.	.			trans	-93.7	82.7	176.3	-171.7	-4.5	0	0	0	112.7	Y321 M331 V374 L375 N380 N381 H382	Y321-D378 PolarHBondContact OH-OD2 3.4Å; M331-D378 HydrophobicContact CE-CB 4.4Å; V374-D378 PolarHBondContact O-N 2.69Å; L375-D378 CarbonylContact O-C 3.5Å; L375-D378 PolarHBondContact O-N 3.42Å; D378-N380 PolarHBondContact O-N 2.92Å; D378-N380 PolarHBondContact OD1-N 3.43Å; D378-N381 PolarHBondContact O-N 3.3Å; D378-N381 PolarHBondContact OD1-ND2 2.93Å; D378-N381 PolarHBondContact OD2-ND2 3.36Å; D378-H382 PolarHBondContact O-CD2 2.69Å; D378-H382 PolarHBondContact O-N 3.26Å
379	S	82.4	Confident	92.6	Very high	88 Å²	88	61.6 Å²	61.6	62%	0.615	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-54.5	-26.6	-179.3	58.7	0	0	0	0	115.2	E377 N381	E377-S379 PolarHBondContact O-N 3.38Å; S379-N381 VanDerWaalsContact C-N 3.29Å; S379-N381 PolarHBondContact O-N 3.49Å
380	N	89.5	Confident	92.7	Very high	131 Å²	131	55.8 Å²	55.8	70%	0.701	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-74.5	-22.8	179	-65.4	-47.3	0	0	0	112.3	D378 H383	D378-N380 PolarHBondContact O-N 2.92Å; D378-N380 PolarHBondContact OD1-N 3.43Å; N380-H383 PolarHBondContact O-ND1 2.92Å
381	N	91.5	Very high	92.9	Very high	38 Å²	38	57 Å²	57	20%	0.203	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-114.2	13.5	-173.8	-67.2	-68.2	0	0	0	113.7	Y321 L375 D378 S379 H383 L384	Y321-N381 HydrophobicContact CE2-CB 3.93Å; Y321-N381 VanDerWaalsContact CE2-CG 3.4Å; Y321-N381 VanDerWaalsContact CE2-ND2 3.35Å; Y321-N381 WeakPolarHBondContact CE2-ND2 3.43Å; L375-N381 HydrophobicContact CD2-CB 4.39Å; D378-N381 PolarHBondContact O-N 3.3Å; D378-N381 PolarHBondContact OD1-ND2 2.93Å; D378-N381 PolarHBondContact OD2-ND2 3.36Å; S379-N381 VanDerWaalsContact C-N 3.29Å; S379-N381 PolarHBondContact O-N 3.49Å; N381-H383 PolarHBondContact O-N 2.97Å; N381-L384 HydrophobicContact CB-CD1 4.23Å; N381-L384 WeakPolarHBondContact O-CB 3.4Å; N381-L384 PolarHBondContact O-N 3.24Å
382	H	88.8	Confident	93	Very high	82 Å²	82	61 Å²	61	38%	0.38	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-53	-30	175.3	-83	-157.3	0	0	0	113.9	L375 V376 D378 L384 M385	L375-H382 PolarHBondContact O-CD2 3.45Å; L375-H382 PolarHBondContact O-NE2 3.17Å; V376-H382 PolarHBondContact O-NE2 2.71Å; D378-H382 PolarHBondContact O-CD2 2.69Å; D378-H382 PolarHBondContact O-N 3.26Å; H382-L384 PolarHBondContact O-N 2.7Å; H382-L384 VanDerWaalsContact O-N 3.15Å; H382-M385 VanDerWaalsContact O-CB 3.25Å; H382-M385 WeakPolarHBondContact O-CB 3.34Å; H382-M385 PolarHBondContact O-N 3.21Å
383	H	90.5	Very high	93.2	Very high	130 Å²	130	60 Å²	60	60%	0.602	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-64.2	-15.2	179.2	68.4	-84.8	0	0	0	114	N380 N381 M385	N380-H383 PolarHBondContact O-ND1 2.92Å; N381-H383 PolarHBondContact O-N 2.97Å; H383-M385 VanDerWaalsContact C-N 3.34Å
384	L	94.3	Very high	93.4	Very high	20 Å²	20	58.8 Å²	58.8	11%	0.105	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-82.2	-11	174.8	-61.7	177.4	0	0	0	113.2	K317 L318 Y321 L375 N381 H382 L386	K317-L384 HydrophobicContact CB-CD2 4.35Å; L318-L384 HydrophobicContact CD1-CB 4.08Å; Y321-L384 HydrophobicContact CD1-CD1 3.8Å; Y321-L384 HydrophobicContact CD2-CD1 4.01Å; Y321-L384 HydrophobicContact CG-CD1 3.49Å; Y321-L384 VanDerWaalsContact CG-CD1 3.49Å; L375-L384 HydrophobicContact CD1-CB 4.36Å; L375-L384 HydrophobicContact CD2-CB 4.32Å; N381-L384 HydrophobicContact CB-CD1 4.23Å; N381-L384 WeakPolarHBondContact O-CB 3.4Å; N381-L384 PolarHBondContact O-N 3.24Å; H382-L384 PolarHBondContact O-N 2.7Å; H382-L384 VanDerWaalsContact O-N 3.15Å; L384-L386 PolarHBondContact O-N 3.35Å
385	M	94.3	Very high	93.6	Very high	92 Å²	92	62.3 Å²	62.3	45%	0.453	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-64.8	126.2	-178.7	-169.1	166.3	68.2	0	0	110.9	R314 L375 H382 H383	R314-M385 PolarHBondContact NH2-O 3.07Å; L375-M385 HydrophobicContact CD1-CB 4.17Å; H382-M385 VanDerWaalsContact O-CB 3.25Å; H382-M385 WeakPolarHBondContact O-CB 3.34Å; H382-M385 PolarHBondContact O-N 3.21Å; H383-M385 VanDerWaalsContact C-N 3.34Å
386	L	95.9	Very high	93.8	Very high	11 Å²	11	62.9 Å²	62.9	6%	0.058	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-82.6	143.3	177.7	-59.8	-179.6	0	0	0	111.2	R314 L318 L384 E390 W391 I394	R314-L386 HydrophobicContact CB-CD2 3.99Å; L318-L386 HydrophobicContact CD2-CD1 4Å; L318-L386 HydrophobicContact CD2-CG 4.15Å; L384-L386 PolarHBondContact O-N 3.35Å; L386-E390 WeakPolarHBondContact CA-OE2 3.44Å; L386-E390 HydrophobicContact CB-CB 4.29Å; L386-W391 HydrophobicContact CB-CZ2 4.11Å; L386-W391 HydrophobicContact CD1-CH2 4.03Å; L386-W391 HydrophobicContact CD1-CZ2 3.86Å; L386-W391 HydrophobicContact CD1-CZ3 4.43Å; L386-W391 HydrophobicContact CG-CZ2 4.36Å; L386-W391 PolarHBondContact O-NE1 3.4Å; L386-I394 HydrophobicContact CD1-CD1 3.67Å
387	E	94.8	Very high	94.1	Very high	116 Å²	116	58.5 Å²	58.5	54%	0.542	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-77.2	161.3	178.7	-63.4	177.7	-167.3	0	0	112.3	S389 E390 W391	E387-S389 VanDerWaalsContact C-N 3.25Å; E387-S389 PolarHBondContact O-N 3.24Å; E387-S389 PolarHBondContact OE2-OG 3.27Å; E387-E390 HydrophobicContact CB-CG 4.23Å; E387-E390 PolarHBondContact N-OE2 3.14Å; E387-E390 WeakPolarHBondContact O-CB 3.34Å; E387-E390 PolarHBondContact O-N 3.15Å; E387-W391 VanDerWaalsContact O-CD1 3.23Å; E387-W391 PolarHBondContact O-N 3Å
388	A	95.6	Very high	94.5	Very high	73 Å²	73	53.7 Å²	53.7	60%	0.603	30%	0.295	S	S	*	.	H	α-helix	trans	-59.1	-36.6	177	0	0	0	0	0	112.8	E390 W391 N392	A388-E390 VanDerWaalsContact C-N 3.31Å; A388-E390 PolarHBondContact O-N 3.36Å; A388-W391 PolarHBondContact O-N 2.99Å; A388-N392 PolarHBondContact O-N 3.14Å; A388-N392 PolarHBondContact O-ND2 3.1Å; A388-N392 PolarHBondContact O-OD1 3.49Å
389	S	96.1	Very high	94.8	Very high	63 Å²	63	58.3 Å²	58.3	44%	0.441	32%	0.316	S	S	.	.	H	α-helix	trans	-62.5	-37.7	174.4	54.1	0	0	0	0	112.4	E387 T393	E387-S389 VanDerWaalsContact C-N 3.25Å; E387-S389 PolarHBondContact O-N 3.24Å; E387-S389 PolarHBondContact OE2-OG 3.27Å; S389-T393 PolarHBondContact O-N 3.49Å; S389-T393 VanDerWaalsContact O-N 3.1Å; S389-T393 PolarHBondContact O-OG1 3.27Å
390	E	97.3	Very high	95.6	Very high	25 Å²	25	54.5 Å²	54.5	12%	0.117	29%	0.288	C	S	.	.	H	α-helix	trans	-70	-44.1	177.3	-67.5	-176.9	122.9	0	0	111	L311 R314 L386 E387 A388 N392 T393 I394	L311-E390 HydrophobicContact CD1-CB 3.64Å; L311-E390 HydrophobicContact CD1-CG 3.88Å; R314-E390 VanDerWaalsContact CD-OE1 3.3Å; R314-E390 WeakPolarHBondContact CD-OE1 3.43Å; R314-E390 IonicContact CZ-OE1 3.42Å; R314-E390 IonicContact CZ-OE2 3.9Å; R314-E390 IonicContact NE-OE1 3.38Å; R314-E390 PolarHBondContact NE-OE1 2.92Å; R314-E390 IonicContact NE-OE2 3.19Å; R314-E390 IonicContact NH1-OE1 3.18Å; R314-E390 PolarHBondContact NH1-OE1 3.42Å; R314-E390 IonicContact NH1-OE2 3.32Å; R314-E390 PolarHBondContact NH1-OE2 2.88Å; R314-E390 IonicContact NH2-OE2 2.69Å; R314-E390 PolarHBondContact NH2-OE2 3.01Å; L386-E390 WeakPolarHBondContact CA-OE2 3.44Å; L386-E390 HydrophobicContact CB-CB 4.29Å; E387-E390 HydrophobicContact CB-CG 4.23Å; E387-E390 PolarHBondContact N-OE2 3.14Å; E387-E390 WeakPolarHBondContact O-CB 3.34Å; E387-E390 PolarHBondContact O-N 3.15Å; A388-E390 VanDerWaalsContact C-N 3.31Å; A388-E390 PolarHBondContact O-N 3.36Å; E390-N392 PolarHBondContact O-N 2.82Å; E390-T393 CarbonylContact O-C 3.5Å; E390-T393 WeakPolarHBondContact O-CA 3.43Å; E390-T393 WeakPolarHBondContact O-CB 3.33Å; E390-T393 PolarHBondContact O-N 2.9Å; E390-T393 VanDerWaalsContact O-N 3.08Å; E390-I394 WeakPolarHBondContact O-CG1 3.28Å; E390-I394 PolarHBondContact O-N 3.16Å
391	W	97.9	Very high	95.9	Very high	25 Å²	25	48.3 Å²	48.3	10%	0.095	26%	0.255	C	S	.	.	H	α-helix	trans	-60.2	-42.3	174	-73.8	115.7	0	0	0	112.8	L364 Q368 L386 E387 A388 T393 I394 E395	L364-W391 HydrophobicContact CB-CH2 4.18Å; L364-W391 HydrophobicContact CB-CZ3 4.07Å; L364-W391 WeakPolarHBondContact O-CH2 3.33Å; L364-W391 WeakPolarHBondContact O-CZ3 3.42Å; Q368-W391 HydrophobicContact CB-CE3 4.46Å; Q368-W391 HydrophobicContact CB-CH2 4.08Å; Q368-W391 HydrophobicContact CB-CZ2 4.26Å; Q368-W391 HydrophobicContact CB-CZ3 4.19Å; Q368-W391 HydrophobicContact CG-CD2 3.86Å; Q368-W391 HydrophobicContact CG-CE3 4.15Å; Q368-W391 HydrophobicContact CG-CG 4.43Å; Q368-W391 HydrophobicContact CG-CH2 4.1Å; Q368-W391 HydrophobicContact CG-CZ2 3.8Å; Q368-W391 HydrophobicContact CG-CZ3 4.27Å; L386-W391 HydrophobicContact CB-CZ2 4.11Å; L386-W391 HydrophobicContact CD1-CH2 4.03Å; L386-W391 HydrophobicContact CD1-CZ2 3.86Å; L386-W391 HydrophobicContact CD1-CZ3 4.43Å; L386-W391 HydrophobicContact CG-CZ2 4.36Å; L386-W391 PolarHBondContact O-NE1 3.4Å; E387-W391 VanDerWaalsContact O-CD1 3.23Å; E387-W391 PolarHBondContact O-N 3Å; A388-W391 PolarHBondContact O-N 2.99Å; W391-T393 PolarHBondContact O-N 3.44Å; W391-I394 HydrophobicContact CD2-CD1 4.41Å; W391-I394 HydrophobicContact CE3-CB 4.49Å; W391-I394 HydrophobicContact CE3-CD1 3.72Å; W391-I394 HydrophobicContact CZ3-CD1 3.85Å; W391-I394 WeakPolarHBondContact O-CB 3.27Å; W391-I394 PolarHBondContact O-N 3.17Å; W391-E395 PolarHBondContact O-N 2.61Å
392	N	97.4	Very high	96.2	Very high	87 Å²	87	48.6 Å²	48.6	47%	0.465	26%	0.256	S	S	.	.	H	α-helix	trans	-61.4	-36.5	174.3	-66.5	-14.6	0	0	0	111.6	A388 E390 G396 L441	A388-N392 PolarHBondContact O-N 3.14Å; A388-N392 PolarHBondContact O-ND2 3.1Å; A388-N392 PolarHBondContact O-OD1 3.49Å; E390-N392 PolarHBondContact O-N 2.82Å; N392-G396 PolarHBondContact O-N 3.1Å; N392-L441 HydrophobicContact CB-CD1 4.07Å; N392-L441 WeakPolarHBondContact O-CD1 3.39Å
393	T	98.2	Very high	96.5	Very high	16 Å²	16	46 Å²	46	10%	0.098	25%	0.246	C	C	.	.	H	α-helix	trans	-70.6	-39.3	176.5	-53	0	0	0	0	111.5	L308 L311 S389 E390 W391 E395 G396 L397 E443 I444	L308-T393 HydrophobicContact CD2-CG2 3.62Å; L311-T393 HydrophobicContact CD2-CG2 3.51Å; S389-T393 PolarHBondContact O-N 3.49Å; S389-T393 VanDerWaalsContact O-N 3.1Å; S389-T393 PolarHBondContact O-OG1 3.27Å; E390-T393 CarbonylContact O-C 3.5Å; E390-T393 WeakPolarHBondContact O-CA 3.43Å; E390-T393 WeakPolarHBondContact O-CB 3.33Å; E390-T393 PolarHBondContact O-N 2.9Å; E390-T393 VanDerWaalsContact O-N 3.08Å; W391-T393 PolarHBondContact O-N 3.44Å; T393-E395 VanDerWaalsContact C-N 3.35Å; T393-G396 PolarHBondContact O-N 3.05Å; T393-L397 WeakPolarHBondContact O-CG 3.39Å; T393-L397 PolarHBondContact O-N 2.78Å; T393-E443 HydrophobicContact CG2-CB 4.44Å; T393-I444 HydrophobicContact CG2-CD1 4.45Å
394	I	98.4	Very high	96.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-47.1	173.1	-70.2	172.4	0	0	0	110.3	L311 L361 L386 E390 W391 L397 V398	L311-I394 HydrophobicContact CD1-CD1 4.42Å; L311-I394 HydrophobicContact CD1-CG1 4.39Å; L311-I394 HydrophobicContact CD2-CG1 4.18Å; L311-I394 HydrophobicContact CG-CG1 4.49Å; L361-I394 HydrophobicContact CB-CG2 4.14Å; L361-I394 HydrophobicContact CD2-CG1 4.1Å; L361-I394 HydrophobicContact CD2-CG2 4.1Å; L386-I394 HydrophobicContact CD1-CD1 3.67Å; E390-I394 WeakPolarHBondContact O-CG1 3.28Å; E390-I394 PolarHBondContact O-N 3.16Å; W391-I394 HydrophobicContact CD2-CD1 4.41Å; W391-I394 HydrophobicContact CE3-CB 4.49Å; W391-I394 HydrophobicContact CE3-CD1 3.72Å; W391-I394 HydrophobicContact CZ3-CD1 3.85Å; W391-I394 WeakPolarHBondContact O-CB 3.27Å; W391-I394 PolarHBondContact O-N 3.17Å; I394-L397 PolarHBondContact O-N 3.1Å; I394-V398 WeakPolarHBondContact O-CG2 3.48Å; I394-V398 PolarHBondContact O-N 3.34Å
395	E	97.9	Very high	96.7	Very high	75 Å²	75	42.3 Å²	42.3	35%	0.35	23%	0.227	S	C	.	.	H	α-helix	trans	-59	-47.8	176.4	174.5	159.7	-131.7	0	0	111.9	K365 W391 T393 L397 V398 E399	K365-E395 WeakPolarHBondContact CE-OE1 3.33Å; K365-E395 VanDerWaalsContact NZ-CD 3.29Å; K365-E395 IonicContact NZ-OE1 3.57Å; K365-E395 PolarHBondContact NZ-OE1 3.01Å; W391-E395 PolarHBondContact O-N 2.61Å; T393-E395 VanDerWaalsContact C-N 3.35Å; E395-L397 VanDerWaalsContact C-N 3.32Å; E395-L397 PolarHBondContact O-N 3.02Å; E395-V398 PolarHBondContact O-N 3.02Å; E395-E399 WeakPolarHBondContact O-CG 3.4Å; E395-E399 PolarHBondContact O-N 3.48Å
396	G	97.8	Very high	96.7	Very high	13 Å²	13	43.2 Å²	43.2	13%	0.134	23%	0.23	C	C	.	.	H	α-helix	trans	-61.2	-36.7	176.2	0	0	0	0	0	113.7	N392 T393 L400	N392-G396 PolarHBondContact O-N 3.1Å; T393-G396 PolarHBondContact O-N 3.05Å; G396-L400 VanDerWaalsContact O-CB 3.31Å; G396-L400 WeakPolarHBondContact O-CB 3.37Å; G396-L400 PolarHBondContact O-N 3.06Å
397	L	98.1	Very high	96.5	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-67.7	-42.5	174.1	-78.1	178.2	0	0	0	112	F303 L308 L312 L361 T393 I394 E395 E399 L400 L401 I444	F303-L397 HydrophobicContact CE1-CD2 4.49Å; L308-L397 HydrophobicContact CD1-CD2 4.14Å; L308-L397 HydrophobicContact CD2-CD1 4.18Å; L308-L397 HydrophobicContact CD2-CD2 4.3Å; L308-L397 HydrophobicContact CD2-CG 4.4Å; L312-L397 HydrophobicContact CD2-CD1 4.38Å; L361-L397 HydrophobicContact CD1-CB 3.93Å; L361-L397 HydrophobicContact CD1-CD1 3.93Å; T393-L397 WeakPolarHBondContact O-CG 3.39Å; T393-L397 PolarHBondContact O-N 2.78Å; I394-L397 PolarHBondContact O-N 3.1Å; E395-L397 VanDerWaalsContact C-N 3.32Å; E395-L397 PolarHBondContact O-N 3.02Å; L397-E399 VanDerWaalsContact C-N 3.35Å; L397-L400 PolarHBondContact O-N 2.88Å; L397-L401 WeakPolarHBondContact O-CB 3.4Å; L397-L401 VanDerWaalsContact O-CG 3.24Å; L397-L401 WeakPolarHBondContact O-CG 3.34Å; L397-L401 PolarHBondContact O-N 3.38Å; L397-I444 HydrophobicContact CB-CD1 4.46Å; L397-I444 HydrophobicContact CD2-CD1 3.8Å; L397-I444 HydrophobicContact CG-CD1 3.81Å
398	V	98.2	Very high	96.3	Very high	13 Å²	13	37.6 Å²	37.6	8%	0.079	21%	0.205	C	C	.	.	H	α-helix	trans	-59	-49.6	176.5	170	0	0	0	0	109.5	L358 L361 Q362 I394 E395 L400 L401 Q402	L358-V398 HydrophobicContact CD1-CB 4.32Å; L358-V398 HydrophobicContact CD1-CG1 4.22Å; L358-V398 HydrophobicContact CD1-CG2 4.23Å; L361-V398 HydrophobicContact CB-CG2 3.76Å; Q362-V398 HydrophobicContact CG-CG1 3.82Å; Q362-V398 HydrophobicContact CG-CG2 4.12Å; I394-V398 WeakPolarHBondContact O-CG2 3.48Å; I394-V398 PolarHBondContact O-N 3.34Å; E395-V398 PolarHBondContact O-N 3.02Å; V398-L400 VanDerWaalsContact C-N 3.33Å; V398-L400 PolarHBondContact O-N 3.45Å; V398-L401 PolarHBondContact O-N 3.42Å; V398-Q402 HydrophobicContact CG1-CG 4.29Å; V398-Q402 VanDerWaalsContact O-CG 3.31Å; V398-Q402 WeakPolarHBondContact O-CG 3.17Å; V398-Q402 PolarHBondContact O-N 2.82Å
399	E	96.9	Very high	96	Very high	125 Å²	125	39 Å²	39	58%	0.584	20%	0.199	S	C	*	.	H	α-helix	trans	-60.4	-39.6	177.8	-71	-177.5	-177.1	0	0	113.2	E395 L397 P403	E395-E399 WeakPolarHBondContact O-CG 3.4Å; E395-E399 PolarHBondContact O-N 3.48Å; L397-E399 VanDerWaalsContact C-N 3.35Å; E399-P403 VanDerWaalsContact O-CD 3.25Å; E399-P403 WeakPolarHBondContact O-CD 3.5Å
400	L	97.8	Very high	95.7	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-41	177.1	174.4	59.7	0	0	0	112.4	G396 L397 V398 P403 F404 T433 L434 I444 A447 K448 I451	G396-L400 VanDerWaalsContact O-CB 3.31Å; G396-L400 WeakPolarHBondContact O-CB 3.37Å; G396-L400 PolarHBondContact O-N 3.06Å; L397-L400 PolarHBondContact O-N 2.88Å; V398-L400 VanDerWaalsContact C-N 3.33Å; V398-L400 PolarHBondContact O-N 3.45Å; L400-P403 WeakPolarHBondContact O-CD 3.31Å; L400-F404 WeakPolarHBondContact O-CD2 3.46Å; L400-T433 HydrophobicContact CD1-CG2 4.36Å; L400-L434 HydrophobicContact CD1-CD2 3.89Å; L400-I444 HydrophobicContact CD2-CG2 4.47Å; L400-A447 HydrophobicContact CD2-CB 3.83Å; L400-K448 HydrophobicContact CD1-CG 3.64Å; L400-K448 HydrophobicContact CD2-CG 4.41Å; L400-I451 HydrophobicContact CD2-CD1 4.11Å
401	L	97.2	Very high	95.2	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-86.5	-23.1	-173.6	-63.7	172.6	0	0	0	113.3	I299 F303 L358 L397 V398 F404 K405	I299-L401 HydrophobicContact CD1-CD2 3.9Å; I299-L401 HydrophobicContact CG1-CD2 4.02Å; I299-L401 HydrophobicContact CG2-CD2 3.73Å; F303-L401 HydrophobicContact CE1-CD1 4.01Å; F303-L401 HydrophobicContact CZ-CD1 3.71Å; F303-L401 HydrophobicContact CZ-CD2 4.38Å; L358-L401 HydrophobicContact CB-CD1 4.3Å; L358-L401 HydrophobicContact CD1-CB 3.81Å; L358-L401 HydrophobicContact CD1-CD1 4.28Å; L358-L401 HydrophobicContact CD2-CB 3.95Å; L358-L401 HydrophobicContact CG-CB 4.31Å; L397-L401 WeakPolarHBondContact O-CB 3.4Å; L397-L401 VanDerWaalsContact O-CG 3.24Å; L397-L401 WeakPolarHBondContact O-CG 3.34Å; L397-L401 PolarHBondContact O-N 3.38Å; V398-L401 PolarHBondContact O-N 3.42Å; L401-F404 WeakPolarHBondContact O-CB 3.49Å; L401-F404 PolarHBondContact O-N 3.07Å; L401-F404 VanDerWaalsContact O-N 3.1Å; L401-K405 PolarHBondContact O-N 2.81Å; L401-K405 VanDerWaalsContact O-N 3.17Å
402	Q	96.1	Very high	94.6	Very high	45 Å²	45	39.5 Å²	39.5	21%	0.21	20%	0.199	C	C	.	.	H	α-helix	trans	-52.1	-48	179.5	-81.6	-45.5	-53.8	0	0	113.7	V398 F404 K405 Q406	V398-Q402 HydrophobicContact CG1-CG 4.29Å; V398-Q402 VanDerWaalsContact O-CG 3.31Å; V398-Q402 WeakPolarHBondContact O-CG 3.17Å; V398-Q402 PolarHBondContact O-N 2.82Å; Q402-F404 VanDerWaalsContact C-N 3.27Å; Q402-F404 PolarHBondContact O-N 3.1Å; Q402-K405 WeakPolarHBondContact O-CB 3.43Å; Q402-K405 PolarHBondContact O-N 2.94Å; Q402-K405 VanDerWaalsContact O-N 3.1Å; Q402-Q406 WeakPolarHBondContact O-CG 3.24Å; Q402-Q406 PolarHBondContact O-N 3.07Å
403	P	96.9	Very high	94	Very high	27 Å²	27	39.2 Å²	39.2	18%	0.175	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-34.9	179.6	-26.5	38	0	0	0	113	E399 L400 Q406 V407 L429 T433	E399-P403 VanDerWaalsContact O-CD 3.25Å; E399-P403 WeakPolarHBondContact O-CD 3.5Å; L400-P403 WeakPolarHBondContact O-CD 3.31Å; P403-Q406 PolarHBondContact O-N 2.92Å; P403-V407 VanDerWaalsContact O-CG2 3.31Å; P403-V407 WeakPolarHBondContact O-CG2 3.35Å; P403-V407 PolarHBondContact O-N 3.36Å; P403-L429 HydrophobicContact CB-CD2 4.14Å; P403-T433 HydrophobicContact CB-CG2 3.95Å; P403-T433 HydrophobicContact CG-CG2 3.73Å
404	F	95.6	Very high	93.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-39.3	175.6	-68.3	-89.6	0	0	0	111.7	F295 I299 W354 L400 L401 Q402 V407 A408 L429 T433 L434 I451 L455	F295-F404 HydrophobicContact CB-CD1 4.45Å; F295-F404 HydrophobicContact CD1-CD1 4.23Å; F295-F404 HydrophobicContact CD1-CE1 4.14Å; F295-F404 AromaticContact CD2-CD1 3.89Å; F295-F404 HydrophobicContact CD2-CD1 3.89Å; F295-F404 HydrophobicContact CE1-CD1 4.41Å; F295-F404 HydrophobicContact CE1-CE1 4.26Å; F295-F404 HydrophobicContact CE2-CD1 4.11Å; F295-F404 AromaticContact CG-CD1 3.94Å; F295-F404 HydrophobicContact CG-CD1 3.94Å; F295-F404 HydrophobicContact CG-CE1 4.28Å; F295-F404 HydrophobicContact CZ-CD1 4.36Å; I299-F404 HydrophobicContact CD1-CB 4.4Å; I299-F404 HydrophobicContact CD1-CD1 4.17Å; I299-F404 HydrophobicContact CD1-CD2 4.45Å; I299-F404 HydrophobicContact CD1-CG 4.09Å; W354-F404 HydrophobicContact CH2-CB 3.66Å; W354-F404 HydrophobicContact CZ2-CB 3.97Å; W354-F404 HydrophobicContact CZ3-CB 4.14Å; L400-F404 WeakPolarHBondContact O-CD2 3.46Å; L401-F404 WeakPolarHBondContact O-CB 3.49Å; L401-F404 PolarHBondContact O-N 3.07Å; L401-F404 VanDerWaalsContact O-N 3.1Å; Q402-F404 VanDerWaalsContact C-N 3.27Å; Q402-F404 PolarHBondContact O-N 3.1Å; F404-V407 PolarHBondContact O-N 3.41Å; F404-A408 WeakPolarHBondContact O-CB 3.38Å; F404-A408 PolarHBondContact O-N 2.47Å; F404-L429 HydrophobicContact CD1-CD1 4.27Å; F404-L429 HydrophobicContact CD1-CD2 4.32Å; F404-L429 HydrophobicContact CD2-CD2 4.47Å; F404-L429 HydrophobicContact CE1-CD1 3.97Å; F404-L429 HydrophobicContact CE1-CD2 4.14Å; F404-L429 HydrophobicContact CE2-CD2 4.29Å; F404-L429 HydrophobicContact CG-CD2 4.49Å; F404-L429 HydrophobicContact CZ-CD2 4.12Å; F404-T433 HydrophobicContact CE2-CG2 4.12Å; F404-L434 HydrophobicContact CE2-CD2 4.2Å; F404-L434 HydrophobicContact CZ-CD1 4.21Å; F404-L434 HydrophobicContact CZ-CD2 4.07Å; F404-L434 HydrophobicContact CZ-CG 4.35Å; F404-I451 HydrophobicContact CE1-CG2 4.23Å; F404-I451 HydrophobicContact CZ-CG2 3.7Å; F404-L455 HydrophobicContact CE1-CD1 4.36Å
405	K	92.8	Very high	92.1	Very high	72 Å²	72	48.7 Å²	48.7	31%	0.313	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-45.4	174.1	-172.4	-177.9	178.8	-176.2	0	111.4	W354 L358 L401 Q402 V407 A408 E409	W354-K405 HydrophobicContact CH2-CB 4.34Å; W354-K405 HydrophobicContact CZ3-CB 4.19Å; L358-K405 HydrophobicContact CD2-CB 3.86Å; L358-K405 HydrophobicContact CD2-CD 3.85Å; L358-K405 HydrophobicContact CD2-CG 4.36Å; L401-K405 PolarHBondContact O-N 2.81Å; L401-K405 VanDerWaalsContact O-N 3.17Å; Q402-K405 WeakPolarHBondContact O-CB 3.43Å; Q402-K405 PolarHBondContact O-N 2.94Å; Q402-K405 VanDerWaalsContact O-N 3.1Å; K405-V407 VanDerWaalsContact C-N 3.34Å; K405-V407 PolarHBondContact O-N 2.97Å; K405-A408 WeakPolarHBondContact O-CB 3.19Å; K405-A408 PolarHBondContact O-N 3.49Å; K405-E409 WeakPolarHBondContact CE-OE1 3.07Å; K405-E409 WeakPolarHBondContact O-CG 3.32Å; K405-E409 PolarHBondContact O-N 2.97Å
406	Q	92.9	Very high	91.2	Very high	112 Å²	112	47 Å²	47	52%	0.523	24%	0.242	S	C	.	.	H	α-helix	trans	-63.2	-39.1	177.7	-68.4	172.9	-2.3	0	0	112.5	Q402 P403 M410	Q402-Q406 WeakPolarHBondContact O-CG 3.24Å; Q402-Q406 PolarHBondContact O-N 3.07Å; P403-Q406 PolarHBondContact O-N 2.92Å; Q406-M410 VanDerWaalsContact O-CB 3.31Å; Q406-M410 WeakPolarHBondContact O-CB 3.48Å; Q406-M410 PolarHBondContact O-N 2.92Å
407	V	93.4	Very high	90.5	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-44.7	174	172.1	0	0	0	0	110.9	F295 P403 F404 K405 M410 M411 L425 M428	F295-V407 HydrophobicContact CE2-CB 4.43Å; F295-V407 HydrophobicContact CE2-CG1 3.85Å; F295-V407 HydrophobicContact CZ-CG1 4.22Å; P403-V407 VanDerWaalsContact O-CG2 3.31Å; P403-V407 WeakPolarHBondContact O-CG2 3.35Å; P403-V407 PolarHBondContact O-N 3.36Å; F404-V407 PolarHBondContact O-N 3.41Å; K405-V407 VanDerWaalsContact C-N 3.34Å; K405-V407 PolarHBondContact O-N 2.97Å; V407-M410 PolarHBondContact O-N 3.06Å; V407-M411 HydrophobicContact CG1-CG 4.42Å; V407-M411 HydrophobicContact CG1-SD 4.06Å; V407-M411 VanDerWaalsContact O-CG 3.31Å; V407-M411 WeakPolarHBondContact O-CG 3.24Å; V407-M411 PolarHBondContact O-N 3.32Å; V407-L425 HydrophobicContact CB-CD2 4.48Å; V407-L425 HydrophobicContact CG1-CD1 3.75Å; V407-L425 HydrophobicContact CG1-CD2 3.99Å; V407-L425 HydrophobicContact CG1-CG 4.34Å; V407-L425 HydrophobicContact CG2-CD2 3.76Å; V407-M428 HydrophobicContact CG2-CE 3.74Å
408	A	90	Very high	90.1	Very high	5 Å²	5	46.9 Å²	46.9	4%	0.041	24%	0.239	C	C	.	.	H	α-helix	trans	-57.3	-50.5	175.8	0	0	0	0	0	112.2	F404 K405 M410 M411 S412 F621	F404-A408 WeakPolarHBondContact O-CB 3.38Å; F404-A408 PolarHBondContact O-N 2.47Å; K405-A408 WeakPolarHBondContact O-CB 3.19Å; K405-A408 PolarHBondContact O-N 3.49Å; A408-M410 VanDerWaalsContact C-N 3.34Å; A408-M410 PolarHBondContact O-N 2.84Å; A408-M411 PolarHBondContact O-N 3.11Å; A408-S412 PolarHBondContact O-N 3.48Å; A408-S412 PolarHBondContact O-OG 3.42Å; A408-S412 VanDerWaalsContact O-OG 3.07Å; A408-F621 VanDerWaalsContact CA-CD2 3.48Å; A408-F621 HydrophobicContact CB-CB 3.52Å; A408-F621 HydrophobicContact CB-CD1 3.97Å; A408-F621 HydrophobicContact CB-CD2 3.42Å; A408-F621 VanDerWaalsContact CB-CD2 3.42Å; A408-F621 HydrophobicContact CB-CE1 4.48Å; A408-F621 HydrophobicContact CB-CE2 4.03Å; A408-F621 HydrophobicContact CB-CG 3.36Å
409	E	88.6	Confident	90	Very high	104 Å²	104	46.3 Å²	46.3	49%	0.486	24%	0.236	S	C	.	.	H	α-helix	trans	-60.2	-42.2	177.6	-71.3	168	175.1	0	0	112	K405 M411 S412 A413	K405-E409 WeakPolarHBondContact CE-OE1 3.07Å; K405-E409 WeakPolarHBondContact O-CG 3.32Å; K405-E409 PolarHBondContact O-N 2.97Å; E409-M411 PolarHBondContact O-N 2.75Å; E409-S412 PolarHBondContact O-N 3.15Å; E409-A413 WeakPolarHBondContact O-CB 3.46Å; E409-A413 PolarHBondContact O-N 2.88Å
410	M	89.4	Confident	89.9	Confident	97 Å²	97	40.3 Å²	40.3	48%	0.478	21%	0.208	S	C	.	.	H	α-helix	trans	-61.6	-42.5	176.1	-179	-169.9	-60.5	0	0	112.1	Q406 V407 A408 S414 L425	Q406-M410 VanDerWaalsContact O-CB 3.31Å; Q406-M410 WeakPolarHBondContact O-CB 3.48Å; Q406-M410 PolarHBondContact O-N 2.92Å; V407-M410 PolarHBondContact O-N 3.06Å; A408-M410 VanDerWaalsContact C-N 3.34Å; A408-M410 PolarHBondContact O-N 2.84Å; M410-S414 PolarHBondContact O-N 3.3Å; M410-L425 HydrophobicContact SD-CD2 4.41Å
411	M	88.6	Confident	89.7	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-68.1	-40.9	178.9	-71.1	-179.4	78.5	0	0	111.6	L291 V407 A408 E409 S414 T418 L425 A612 T613 P617 F621	L291-M411 HydrophobicContact CD2-CE 4.01Å; L291-M411 HydrophobicContact CD2-SD 3.87Å; V407-M411 HydrophobicContact CG1-CG 4.42Å; V407-M411 HydrophobicContact CG1-SD 4.06Å; V407-M411 VanDerWaalsContact O-CG 3.31Å; V407-M411 WeakPolarHBondContact O-CG 3.24Å; V407-M411 PolarHBondContact O-N 3.32Å; A408-M411 PolarHBondContact O-N 3.11Å; E409-M411 PolarHBondContact O-N 2.75Å; M411-S414 WeakPolarHBondContact O-CB 3.16Å; M411-S414 PolarHBondContact O-N 3.37Å; M411-T418 HydrophobicContact CB-CG2 4.25Å; M411-T418 HydrophobicContact CE-CG2 4.27Å; M411-T418 HydrophobicContact CG-CG2 4.32Å; M411-L425 HydrophobicContact CG-CD1 4.5Å; M411-L425 HydrophobicContact SD-CD1 4.4Å; M411-A612 HydrophobicContact CE-CB 3.62Å; M411-T613 HydrophobicContact CE-CG2 3.73Å; M411-P617 HydrophobicContact CB-CB 4.04Å; M411-P617 HydrophobicContact CB-CG 4.05Å; M411-F621 HydrophobicContact CB-CE2 4.32Å; M411-F621 HydrophobicContact SD-CE2 4.09Å; M411-F621 HydrophobicContact SD-CZ 4.46Å
412	S	84.3	Confident	89.7	Confident	24 Å²	24	40.1 Å²	40.1	17%	0.168	21%	0.207	C	C	.	.	H	α-helix	trans	-62.5	-43.9	174.3	-58.2	0	0	0	0	111.8	A408 E409 S414 P617 E618	A408-S412 PolarHBondContact O-N 3.48Å; A408-S412 PolarHBondContact O-OG 3.42Å; A408-S412 VanDerWaalsContact O-OG 3.07Å; E409-S412 PolarHBondContact O-N 3.15Å; S412-S414 PolarHBondContact O-N 3.3Å; S412-S414 VanDerWaalsContact O-N 3.08Å; S412-P617 WeakPolarHBondContact OG-CB 3.27Å; S412-E618 PolarHBondContact OG-N 2.96Å
413	A	84	Confident	89.6	Confident	80 Å²	80	38.5 Å²	38.5	66%	0.661	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-7.6	178.3	0	0	0	0	0	114.1	E409	E409-A413 WeakPolarHBondContact O-CB 3.46Å; E409-A413 PolarHBondContact O-N 2.88Å
414	S	80.9	Confident	89.6	Confident	25 Å²	25	38.4 Å²	38.4	18%	0.175	20%	0.199	C	C	.	.			trans	-78.4	130.3	-174	-164.3	0	0	0	0	112.5	M410 M411 S412 Y416 M421	M410-S414 PolarHBondContact O-N 3.3Å; M411-S414 WeakPolarHBondContact O-CB 3.16Å; M411-S414 PolarHBondContact O-N 3.37Å; S412-S414 PolarHBondContact O-N 3.3Å; S412-S414 VanDerWaalsContact O-N 3.08Å; S414-Y416 WeakPolarHBondContact OG-CD2 3.38Å; S414-Y416 WeakPolarHBondContact OG-CE2 3.49Å; S414-Y416 PolarHBondContact OG-O 2.94Å; S414-M421 WeakPolarHBondContact OG-CE 3.46Å
415	K	76.5	Confident	89.6	Confident	191 Å²	191	39 Å²	39	83%	0.83	20%	0.202	S	C	*	.	S	Bend	trans	-94.9	4.9	178	-60.7	-175.5	-179.6	-178.1	0	113.8
416	Y	80.2	Confident	89.7	Confident	39 Å²	39	35.7 Å²	35.7	15%	0.153	19%	0.187	C	C	.	.	S	Bend	trans	-138.2	168.4	-174.3	48.2	-99	0	0	0	109.7	S414 T418 M421 R478 P586	S414-Y416 WeakPolarHBondContact OG-CD2 3.38Å; S414-Y416 WeakPolarHBondContact OG-CE2 3.49Å; S414-Y416 PolarHBondContact OG-O 2.94Å; Y416-T418 PolarHBondContact O-N 3.48Å; Y416-M421 HydrophobicContact CD2-CE 4.07Å; Y416-M421 HydrophobicContact CE2-CE 3.23Å; Y416-R478 VanDerWaalsContact CE2-NH2 3.31Å; Y416-R478 PolarHBondContact OH-NH1 3.48Å; Y416-P586 HydrophobicContact CD1-CG 4.38Å; Y416-P586 HydrophobicContact CD2-CG 3.58Å; Y416-P586 HydrophobicContact CE2-CG 3.78Å; Y416-P586 HydrophobicContact CG-CG 3.91Å
417	P	81.2	Confident	89.8	Confident	2 Å²	2	34 Å²	34	1%	0.013	18%	0.179	C	C	.	.			trans	-59.3	130.3	-172.9	-24.5	36.7	0	0	0	111.1	L218 V228 I419 W608	L218-P417 HydrophobicContact CD1-CG 4.18Å; V228-P417 HydrophobicContact CB-CG 4.35Å; V228-P417 HydrophobicContact CG1-CG 4.24Å; V228-P417 HydrophobicContact CG2-CB 4.41Å; V228-P417 HydrophobicContact CG2-CG 3.21Å; P417-I419 VanDerWaalsContact C-N 3.32Å; P417-I419 HydrophobicContact CB-CG2 4.21Å; P417-W608 HydrophobicContact CB-CB 4.17Å; P417-W608 HydrophobicContact CB-CD2 4.34Å; P417-W608 HydrophobicContact CB-CE3 4.11Å; P417-W608 HydrophobicContact CB-CG 4.42Å; P417-W608 HydrophobicContact CG-CB 4.04Å; P417-W608 HydrophobicContact CG-CD2 4.31Å; P417-W608 HydrophobicContact CG-CE3 3.72Å; P417-W608 HydrophobicContact CG-CG 4.5Å
418	T	90.4	Very high	89.9	Confident	11 Å²	11	37.5 Å²	37.5	7%	0.067	20%	0.196	C	C	.	.	S	Bend	trans	-85.6	-5.8	-179.6	51.1	0	0	0	0	112.9	M411 Y416 S420 M421 A612	M411-T418 HydrophobicContact CB-CG2 4.25Å; M411-T418 HydrophobicContact CE-CG2 4.27Å; M411-T418 HydrophobicContact CG-CG2 4.32Å; Y416-T418 PolarHBondContact O-N 3.48Å; T418-S420 VanDerWaalsContact C-N 3.27Å; T418-S420 PolarHBondContact O-N 3.29Å; T418-M421 HydrophobicContact CG2-CE 4.43Å; T418-M421 HydrophobicContact CG2-SD 4.17Å; T418-M421 VanDerWaalsContact O-CB 3.31Å; T418-M421 WeakPolarHBondContact O-CB 3.45Å; T418-M421 PolarHBondContact O-N 3.27Å; T418-A612 WeakPolarHBondContact OG1-CB 3.42Å
419	I	95.5	Very high	90.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-61	-34.4	-177.6	-167.8	63.3	0	0	0	113	M288 P417 M421 V422 F468 L469 A472 W608 I610	M288-I419 HydrophobicContact CE-CD1 4.22Å; M288-I419 HydrophobicContact CG-CD1 4.23Å; M288-I419 HydrophobicContact SD-CD1 4.26Å; P417-I419 VanDerWaalsContact C-N 3.32Å; P417-I419 HydrophobicContact CB-CG2 4.21Å; I419-M421 PolarHBondContact O-N 2.7Å; I419-V422 HydrophobicContact CD1-CG2 4.23Å; I419-V422 WeakPolarHBondContact O-CG2 3.42Å; I419-V422 PolarHBondContact O-N 2.73Å; I419-F468 HydrophobicContact CD1-CE1 4.38Å; I419-F468 HydrophobicContact CG1-CE1 4.01Å; I419-L469 HydrophobicContact CD1-CD2 3.51Å; I419-L469 HydrophobicContact CG1-CD2 4.08Å; I419-A472 HydrophobicContact CG1-CB 4.37Å; I419-A472 HydrophobicContact CG2-CB 4.42Å; I419-W608 HydrophobicContact CG2-CB 4.47Å; I419-W608 HydrophobicContact CG2-CG 4.24Å; I419-I610 WeakPolarHBondContact CB-O 2.98Å; I419-I610 HydrophobicContact CD1-CG2 4.4Å; I419-I610 VanDerWaalsContact CG2-O 3.32Å; I419-I610 WeakPolarHBondContact CG2-O 3.16Å
420	S	95.3	Very high	90.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-71.5	-15.9	176.3	64.8	0	0	0	0	113.7	T418 A472 T473 D476	T418-S420 VanDerWaalsContact C-N 3.27Å; T418-S420 PolarHBondContact O-N 3.29Å; S420-A472 WeakPolarHBondContact CB-O 3.5Å; S420-T473 PolarHBondContact O-OG1 3.39Å; S420-D476 WeakPolarHBondContact CB-OD2 3.32Å; S420-D476 PolarHBondContact OG-OD2 3.36Å
421	M	94.6	Very high	90.7	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-84.3	-18.7	178.1	-55	-179.7	-179.6	0	0	112.4	S414 Y416 T418 I419 K423 P424 L425 Y479	S414-M421 WeakPolarHBondContact OG-CE 3.46Å; Y416-M421 HydrophobicContact CD2-CE 4.07Å; Y416-M421 HydrophobicContact CE2-CE 3.23Å; T418-M421 HydrophobicContact CG2-CE 4.43Å; T418-M421 HydrophobicContact CG2-SD 4.17Å; T418-M421 VanDerWaalsContact O-CB 3.31Å; T418-M421 WeakPolarHBondContact O-CB 3.45Å; T418-M421 PolarHBondContact O-N 3.27Å; I419-M421 PolarHBondContact O-N 2.7Å; M421-K423 PolarHBondContact O-N 2.92Å; M421-P424 VanDerWaalsContact O-CD 3.26Å; M421-P424 WeakPolarHBondContact O-CD 3.35Å; M421-L425 HydrophobicContact CB-CD1 3.69Å; M421-L425 HydrophobicContact CB-CG 4.21Å; M421-L425 VanDerWaalsContact O-CB 3.3Å; M421-L425 WeakPolarHBondContact O-CB 3.24Å; M421-L425 WeakPolarHBondContact O-CD1 3.09Å; M421-L425 WeakPolarHBondContact O-CG 3.44Å; M421-L425 PolarHBondContact O-N 2.76Å; M421-Y479 HydrophobicContact CG-CE2 4.34Å
422	V	95.9	Very high	90.9	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-58.4	-48.4	-170.1	178.4	0	0	0	0	111.7	L291 I419 L425 L426 Y459 L469 A612	L291-V422 HydrophobicContact CD1-CG1 4.32Å; L291-V422 HydrophobicContact CD2-CG2 4.31Å; I419-V422 HydrophobicContact CD1-CG2 4.23Å; I419-V422 WeakPolarHBondContact O-CG2 3.42Å; I419-V422 PolarHBondContact O-N 2.73Å; V422-L425 PolarHBondContact O-N 3.46Å; V422-L426 HydrophobicContact CG1-CD1 3.68Å; V422-L426 HydrophobicContact CG1-CG 4.18Å; V422-L426 WeakPolarHBondContact O-CB 3.35Å; V422-L426 WeakPolarHBondContact O-CG 3.44Å; V422-L426 PolarHBondContact O-N 2.98Å; V422-Y459 HydrophobicContact CG1-CD1 4.45Å; V422-Y459 HydrophobicContact CG1-CE1 4.43Å; V422-L469 HydrophobicContact CB-CD1 4.38Å; V422-L469 HydrophobicContact CB-CD2 3.93Å; V422-L469 HydrophobicContact CG1-CD1 3.72Å; V422-L469 HydrophobicContact CG1-CD2 4.09Å; V422-L469 HydrophobicContact CG2-CD2 4.26Å; V422-A612 HydrophobicContact CG2-CB 3.53Å
423	K	95.4	Very high	91.4	Very high	11 Å²	11	36.7 Å²	36.7	5%	0.048	20%	0.199	C	C	.	.	H	α-helix	trans	-65.8	-48.9	180	-75.5	-79.1	171.7	-162.5	0	113.4	M421 L425 L426 H427 Y459 D466 L469 N470 T473 F484	M421-K423 PolarHBondContact O-N 2.92Å; K423-L425 VanDerWaalsContact C-N 3.29Å; K423-L425 PolarHBondContact O-N 3.29Å; K423-L426 PolarHBondContact O-N 3.22Å; K423-H427 WeakPolarHBondContact O-CB 3.25Å; K423-H427 PolarHBondContact O-N 2.98Å; K423-Y459 PolarHBondContact NZ-O 2.72Å; K423-D466 WeakPolarHBondContact CE-OD1 3.43Å; K423-D466 IonicContact NZ-OD1 3.69Å; K423-D466 PolarHBondContact NZ-OD1 3.5Å; K423-L469 HydrophobicContact CD-CB 4.23Å; K423-L469 HydrophobicContact CG-CB 3.6Å; K423-N470 WeakPolarHBondContact CD-OD1 3.44Å; K423-T473 HydrophobicContact CB-CG2 4.44Å; K423-T473 WeakPolarHBondContact CB-OG1 3.37Å; K423-F484 HydrophobicContact CB-CE2 4.17Å; K423-F484 HydrophobicContact CB-CZ 3.83Å
424	P	95.4	Very high	92	Very high	25 Å²	25	33.2 Å²	33.2	16%	0.162	17%	0.169	C	C	.	.	H	α-helix	trans	-54.8	-44.2	173.8	-27.5	33.3	0	0	0	113	M421 H427 M428 T473 Y479	M421-P424 VanDerWaalsContact O-CD 3.26Å; M421-P424 WeakPolarHBondContact O-CD 3.35Å; P424-H427 PolarHBondContact O-N 3.38Å; P424-M428 WeakPolarHBondContact O-CB 3.5Å; P424-M428 PolarHBondContact O-N 3.46Å; P424-T473 HydrophobicContact CG-CG2 3.74Å; P424-Y479 HydrophobicContact CB-CD1 4.24Å; P424-Y479 HydrophobicContact CB-CE1 4.21Å; P424-Y479 HydrophobicContact CG-CD1 3.8Å; P424-Y479 HydrophobicContact CG-CD2 3.86Å; P424-Y479 HydrophobicContact CG-CE1 4.13Å; P424-Y479 HydrophobicContact CG-CE2 4.21Å; P424-Y479 HydrophobicContact CG-CG 3.65Å
425	L	95.6	Very high	92.7	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.063	19%	0.185	C	C	.	.	H	α-helix	trans	-66.2	-46	179.7	-69.2	172	0	0	0	112	V407 M410 M411 M421 V422 K423 H427 M428 L429	V407-L425 HydrophobicContact CB-CD2 4.48Å; V407-L425 HydrophobicContact CG1-CD1 3.75Å; V407-L425 HydrophobicContact CG1-CD2 3.99Å; V407-L425 HydrophobicContact CG1-CG 4.34Å; V407-L425 HydrophobicContact CG2-CD2 3.76Å; M410-L425 HydrophobicContact SD-CD2 4.41Å; M411-L425 HydrophobicContact CG-CD1 4.5Å; M411-L425 HydrophobicContact SD-CD1 4.4Å; M421-L425 HydrophobicContact CB-CD1 3.69Å; M421-L425 HydrophobicContact CB-CG 4.21Å; M421-L425 VanDerWaalsContact O-CB 3.3Å; M421-L425 WeakPolarHBondContact O-CB 3.24Å; M421-L425 WeakPolarHBondContact O-CD1 3.09Å; M421-L425 WeakPolarHBondContact O-CG 3.44Å; M421-L425 PolarHBondContact O-N 2.76Å; V422-L425 PolarHBondContact O-N 3.46Å; K423-L425 VanDerWaalsContact C-N 3.29Å; K423-L425 PolarHBondContact O-N 3.29Å; L425-H427 VanDerWaalsContact C-N 3.34Å; L425-H427 PolarHBondContact O-N 3.28Å; L425-M428 HydrophobicContact CD2-CE 4.28Å; L425-M428 PolarHBondContact O-N 3.25Å; L425-L429 WeakPolarHBondContact O-CB 3.3Å; L425-L429 VanDerWaalsContact O-CG 3.29Å; L425-L429 WeakPolarHBondContact O-CG 3.17Å; L425-L429 PolarHBondContact O-N 2.87Å
426	L	95.8	Very high	93.6	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-43.1	175.6	-73.4	173.2	0	0	0	111.5	L291 V422 K423 M428 L429 L430 L455 Y459	L291-L426 HydrophobicContact CD1-CD2 4.11Å; V422-L426 HydrophobicContact CG1-CD1 3.68Å; V422-L426 HydrophobicContact CG1-CG 4.18Å; V422-L426 WeakPolarHBondContact O-CB 3.35Å; V422-L426 WeakPolarHBondContact O-CG 3.44Å; V422-L426 PolarHBondContact O-N 2.98Å; K423-L426 PolarHBondContact O-N 3.22Å; L426-M428 PolarHBondContact O-N 2.91Å; L426-L429 PolarHBondContact O-N 3.41Å; L426-L430 HydrophobicContact CB-CD1 4.49Å; L426-L430 VanDerWaalsContact O-CB 3.24Å; L426-L430 WeakPolarHBondContact O-CB 3.35Å; L426-L430 VanDerWaalsContact O-CG 3.29Å; L426-L430 WeakPolarHBondContact O-CG 3.21Å; L426-L430 PolarHBondContact O-N 2.85Å; L426-L455 HydrophobicContact CD2-CB 4.23Å; L426-L455 HydrophobicContact CD2-CD1 4.35Å; L426-L455 HydrophobicContact CD2-CD2 4.33Å; L426-Y459 VanDerWaalsContact CD1-CB 3.44Å; L426-Y459 HydrophobicContact CD1-CD1 4.23Å; L426-Y459 HydrophobicContact CD1-CD2 3.72Å; L426-Y459 HydrophobicContact CD1-CG 3.54Å; L426-Y459 HydrophobicContact CD2-CD2 3.94Å; L426-Y459 HydrophobicContact CD2-CE2 4.46Å; L426-Y459 HydrophobicContact CG-CD2 4.47Å
427	H	94.4	Very high	94.2	Very high	78 Å²	78	35.8 Å²	35.8	36%	0.361	19%	0.186	S	C	.	.	H	α-helix	trans	-61.7	-44.4	177.3	-176.3	83.1	0	0	0	111.7	K423 P424 L425 N431 F484	K423-H427 WeakPolarHBondContact O-CB 3.25Å; K423-H427 PolarHBondContact O-N 2.98Å; P424-H427 PolarHBondContact O-N 3.38Å; L425-H427 VanDerWaalsContact C-N 3.34Å; L425-H427 PolarHBondContact O-N 3.28Å; H427-N431 PolarHBondContact CE1-ND2 2.94Å; H427-N431 PolarHBondContact ND1-ND2 3.36Å; H427-N431 PolarHBondContact NE2-ND2 2.92Å; H427-N431 VanDerWaalsContact O-CB 3.29Å; H427-N431 WeakPolarHBondContact O-CB 3.38Å; H427-N431 PolarHBondContact O-N 3.33Å; H427-N431 VanDerWaalsContact O-N 3.08Å; H427-N431 PolarHBondContact O-ND2 3.23Å; H427-F484 HydrophobicContact CB-CD1 4.42Å; H427-F484 HydrophobicContact CB-CG 4.44Å; H427-F484 WeakPolarHBondContact CE1-CB 3.35Å; H427-F484 WeakPolarHBondContact ND1-CB 3.45Å; H427-F484 AromaticContact ND1-CG 3.94Å
428	M	95.6	Very high	94.6	Very high	75 Å²	75	45.1 Å²	45.1	37%	0.369	23%	0.229	S	C	.	.	H	α-helix	trans	-61.5	-51.6	175.5	179	-163.5	70.4	0	0	111.3	V407 P424 L425 L426 T432	V407-M428 HydrophobicContact CG2-CE 3.74Å; P424-M428 WeakPolarHBondContact O-CB 3.5Å; P424-M428 PolarHBondContact O-N 3.46Å; L425-M428 HydrophobicContact CD2-CE 4.28Å; L425-M428 PolarHBondContact O-N 3.25Å; L426-M428 PolarHBondContact O-N 2.91Å; M428-T432 WeakPolarHBondContact O-CA 3.31Å; M428-T432 WeakPolarHBondContact O-CB 3.41Å; M428-T432 PolarHBondContact O-N 3.09Å; M428-T432 PolarHBondContact O-OG1 3.24Å
429	L	96.9	Very high	94.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.267	C	S	.	.	I	π-helix	trans	-62.4	-48	-177.4	-72.1	169.5	0	0	0	111.5	F295 P403 F404 L425 L426 T433 L434	F295-L429 HydrophobicContact CE1-CD1 3.82Å; F295-L429 HydrophobicContact CE2-CD1 4.31Å; F295-L429 HydrophobicContact CZ-CD1 3.45Å; F295-L429 VanDerWaalsContact CZ-CD1 3.45Å; P403-L429 HydrophobicContact CB-CD2 4.14Å; F404-L429 HydrophobicContact CD1-CD1 4.27Å; F404-L429 HydrophobicContact CD1-CD2 4.32Å; F404-L429 HydrophobicContact CD2-CD2 4.47Å; F404-L429 HydrophobicContact CE1-CD1 3.97Å; F404-L429 HydrophobicContact CE1-CD2 4.14Å; F404-L429 HydrophobicContact CE2-CD2 4.29Å; F404-L429 HydrophobicContact CG-CD2 4.49Å; F404-L429 HydrophobicContact CZ-CD2 4.12Å; L425-L429 WeakPolarHBondContact O-CB 3.3Å; L425-L429 VanDerWaalsContact O-CG 3.29Å; L425-L429 WeakPolarHBondContact O-CG 3.17Å; L425-L429 PolarHBondContact O-N 2.87Å; L426-L429 PolarHBondContact O-N 3.41Å; L429-T433 HydrophobicContact CD2-CG2 4.42Å; L429-T433 WeakPolarHBondContact O-CB 3.4Å; L429-T433 PolarHBondContact O-N 2.81Å; L429-T433 VanDerWaalsContact O-N 3.12Å; L429-L434 WeakPolarHBondContact O-CB 3.07Å; L429-L434 WeakPolarHBondContact O-CG 3.44Å; L429-L434 PolarHBondContact O-N 2.84Å
430	L	95.8	Very high	94.6	Very high	18 Å²	18	54.1 Å²	54.1	9%	0.094	28%	0.277	C	S	.	.	I	π-helix	trans	-67.2	-42.6	-177.7	-72.1	166.7	0	0	0	112.5	L426 L434 A452 L455 Q460	L426-L430 HydrophobicContact CB-CD1 4.49Å; L426-L430 VanDerWaalsContact O-CB 3.24Å; L426-L430 WeakPolarHBondContact O-CB 3.35Å; L426-L430 VanDerWaalsContact O-CG 3.29Å; L426-L430 WeakPolarHBondContact O-CG 3.21Å; L426-L430 PolarHBondContact O-N 2.85Å; L430-L434 HydrophobicContact CD2-CD1 4.05Å; L430-A452 HydrophobicContact CD2-CB 3.86Å; L430-L455 HydrophobicContact CD2-CB 4.17Å; L430-L455 HydrophobicContact CD2-CD1 4.44Å; L430-Q460 VanDerWaalsContact CD1-NE2 3.26Å
431	N	92.5	Very high	94.7	Very high	81 Å²	81	57.2 Å²	57.2	43%	0.433	29%	0.293	S	S	.	.	I	π-helix	trans	-92.9	-18.8	-172	-61	-47	0	0	0	114.2	H427 N435	H427-N431 PolarHBondContact CE1-ND2 2.94Å; H427-N431 PolarHBondContact ND1-ND2 3.36Å; H427-N431 PolarHBondContact NE2-ND2 2.92Å; H427-N431 VanDerWaalsContact O-CB 3.29Å; H427-N431 WeakPolarHBondContact O-CB 3.38Å; H427-N431 PolarHBondContact O-N 3.33Å; H427-N431 VanDerWaalsContact O-N 3.08Å; H427-N431 PolarHBondContact O-ND2 3.23Å; N431-N435 WeakPolarHBondContact O-CB 3.17Å
432	T	92.7	Very high	94.8	Very high	95 Å²	95	64.2 Å²	64.2	58%	0.583	32%	0.323	S	S	*	.	I	π-helix	trans	-113.2	-53.8	-178.4	-48.8	0	0	0	0	112	M428	M428-T432 WeakPolarHBondContact O-CA 3.31Å; M428-T432 WeakPolarHBondContact O-CB 3.41Å; M428-T432 PolarHBondContact O-N 3.09Å; M428-T432 PolarHBondContact O-OG1 3.24Å
433	T	94.7	Very high	94.8	Very high	21 Å²	21	65.5 Å²	65.5	13%	0.129	33%	0.329	C	S	.	.	I	π-helix	trans	-77.3	-46.9	-174.4	-57.6	0	0	0	0	112.4	L400 P403 F404 L429 K448	L400-T433 HydrophobicContact CD1-CG2 4.36Å; P403-T433 HydrophobicContact CB-CG2 3.95Å; P403-T433 HydrophobicContact CG-CG2 3.73Å; F404-T433 HydrophobicContact CE2-CG2 4.12Å; L429-T433 HydrophobicContact CD2-CG2 4.42Å; L429-T433 WeakPolarHBondContact O-CB 3.4Å; L429-T433 PolarHBondContact O-N 2.81Å; L429-T433 VanDerWaalsContact O-N 3.12Å; T433-K448 VanDerWaalsContact O-CE 3.32Å; T433-K448 WeakPolarHBondContact O-CE 3.32Å
434	L	97.4	Very high	94.9	Very high	7 Å²	7	65.3 Å²	65.3	4%	0.037	33%	0.329	C	S	.	.	S	Bend	trans	-93.2	-1.1	-173.1	-60.8	171.7	0	0	0	113.2	L400 F404 L429 L430 I436 K448 I451 A452 L455	L400-L434 HydrophobicContact CD1-CD2 3.89Å; F404-L434 HydrophobicContact CE2-CD2 4.2Å; F404-L434 HydrophobicContact CZ-CD1 4.21Å; F404-L434 HydrophobicContact CZ-CD2 4.07Å; F404-L434 HydrophobicContact CZ-CG 4.35Å; L429-L434 WeakPolarHBondContact O-CB 3.07Å; L429-L434 WeakPolarHBondContact O-CG 3.44Å; L429-L434 PolarHBondContact O-N 2.84Å; L430-L434 HydrophobicContact CD2-CD1 4.05Å; L434-I436 PolarHBondContact O-N 3.4Å; L434-K448 HydrophobicContact CD2-CB 4.39Å; L434-K448 HydrophobicContact CD2-CG 4.3Å; L434-I451 HydrophobicContact CD1-CB 4.43Å; L434-I451 HydrophobicContact CD1-CG2 3.86Å; L434-I451 HydrophobicContact CD2-CB 3.91Å; L434-I451 HydrophobicContact CD2-CD1 4.38Å; L434-I451 HydrophobicContact CD2-CG2 3.85Å; L434-A452 HydrophobicContact CB-CB 4.14Å; L434-A452 HydrophobicContact CD1-CB 4.06Å; L434-L455 HydrophobicContact CD1-CD1 3.7Å
435	N	94.3	Very high	95.1	Very high	95 Å²	95	65.1 Å²	65.1	51%	0.508	33%	0.328	S	S	.	.	S	Bend	trans	-66.8	130.4	172.4	-165.6	7.9	0	0	0	109.8	N431 K448	N431-N435 WeakPolarHBondContact O-CB 3.17Å; N435-K448 PolarHBondContact O-NZ 2.97Å; N435-K448 VanDerWaalsContact O-NZ 3.07Å
436	I	95.1	Very high	95.2	Very high	84 Å²	84	68.1 Å²	68.1	43%	0.431	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-79	125	-177.7	-60.6	173.5	0	0	0	108.2	L434 K448 E449	L434-I436 PolarHBondContact O-N 3.4Å; I436-K448 HydrophobicContact CG1-CB 4.4Å; I436-E449 HydrophobicContact CD1-CB 4.46Å
437	K	92.9	Very high	95.3	Very high	130 Å²	130	68.1 Å²	68.1	57%	0.565	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-100.8	151.5	177.6	-57.7	176.7	-177.4	173.6	0	109.6	N439 D440	K437-N439 PolarHBondContact O-N 3.03Å; K437-D440 PolarHBondContact N-OD2 3.29Å; K437-D440 WeakPolarHBondContact O-CB 3.5Å; K437-D440 PolarHBondContact O-N 2.87Å
438	E	90.3	Very high	95.5	Very high	199 Å²	199	65 Å²	65	93%	0.93	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.6	-179.1	-65.7	-176	166.2	0	0	113.4
439	N	92.2	Very high	95.6	Very high	160 Å²	160	67.2 Å²	67.2	86%	0.856	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	3.1	-179.5	-65.1	-20.1	0	0	0	113.8	K437	K437-N439 PolarHBondContact O-N 3.03Å
440	D	94.6	Very high	95.7	Very high	39 Å²	39	68.9 Å²	68.9	21%	0.209	35%	0.347	C	S	.	.	S	Bend	trans	-67.3	138.9	177.9	-73.3	-22	0	0	0	110.4	K437 S445 K448	K437-D440 PolarHBondContact N-OD2 3.29Å; K437-D440 WeakPolarHBondContact O-CB 3.5Å; K437-D440 PolarHBondContact O-N 2.87Å; D440-S445 WeakPolarHBondContact CB-OG 3.48Å; D440-K448 VanDerWaalsContact CG-NZ 3.35Å; D440-K448 IonicContact OD1-NZ 3.77Å; D440-K448 PolarHBondContact OD1-NZ 2.86Å; D440-K448 IonicContact OD2-NZ 3.77Å; D440-K448 PolarHBondContact OD2-NZ 3.29Å
441	L	96.2	Very high	95.8	Very high	66 Å²	66	68 Å²	68	35%	0.346	34%	0.343	S	S	.	.			trans	-59.9	142.5	168.3	-63.5	174.5	0	0	0	109.5	N392 E443 I444 S445	N392-L441 HydrophobicContact CB-CD1 4.07Å; N392-L441 WeakPolarHBondContact O-CD1 3.39Å; L441-E443 PolarHBondContact O-N 3.17Å; L441-E443 VanDerWaalsContact O-N 3.11Å; L441-I444 HydrophobicContact CB-CB 4.41Å; L441-I444 HydrophobicContact CB-CG1 4.02Å; L441-I444 WeakPolarHBondContact O-CA 3.45Å; L441-I444 WeakPolarHBondContact O-CB 3.46Å; L441-I444 PolarHBondContact O-N 3.21Å; L441-S445 PolarHBondContact O-N 2.97Å; L441-S445 PolarHBondContact O-OG 3.36Å
442	K	96.6	Very high	96.1	Very high	148 Å²	148	65.2 Å²	65.2	64%	0.643	33%	0.331	S	S	*	.	H	α-helix	trans	-51.8	-42.2	-177.2	-178.5	177.7	178.1	177.5	0	112.1	I444 S445 M446	K442-I444 VanDerWaalsContact C-N 3.33Å; K442-I444 PolarHBondContact O-N 3.43Å; K442-S445 PolarHBondContact O-N 3.08Å; K442-M446 HydrophobicContact CG-SD 4.31Å; K442-M446 VanDerWaalsContact O-CG 3.29Å; K442-M446 WeakPolarHBondContact O-CG 3.47Å; K442-M446 PolarHBondContact O-N 2.55Å
443	E	96.4	Very high	96.3	Very high	30 Å²	30	67.7 Å²	67.7	14%	0.14	33%	0.334	C	S	.	.	H	α-helix	trans	-64.9	-37	-180	-63.3	71.9	-159.6	0	0	112	K307 L308 T393 L441 A447	K307-E443 HydrophobicContact CB-CG 3.91Å; K307-E443 HydrophobicContact CD-CG 3.69Å; K307-E443 WeakPolarHBondContact CD-OE1 3.46Å; K307-E443 WeakPolarHBondContact CE-OE1 3.36Å; K307-E443 HydrophobicContact CG-CG 4.48Å; K307-E443 IonicContact NZ-OE1 2.9Å; K307-E443 PolarHBondContact NZ-OE1 2.97Å; L308-E443 HydrophobicContact CD2-CB 3.84Å; L308-E443 HydrophobicContact CG-CB 4.31Å; T393-E443 HydrophobicContact CG2-CB 4.44Å; L441-E443 PolarHBondContact O-N 3.17Å; L441-E443 VanDerWaalsContact O-N 3.11Å; E443-A447 WeakPolarHBondContact O-CB 3.39Å; E443-A447 PolarHBondContact O-N 3.23Å
444	I	98.2	Very high	96.5	Very high	6 Å²	6	69.1 Å²	69.1	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-74.2	-40.4	177.8	-57.8	-57.8	0	0	0	110.8	T393 L397 L400 L441 K442 M446 A447 K448	T393-I444 HydrophobicContact CG2-CD1 4.45Å; L397-I444 HydrophobicContact CB-CD1 4.46Å; L397-I444 HydrophobicContact CD2-CD1 3.8Å; L397-I444 HydrophobicContact CG-CD1 3.81Å; L400-I444 HydrophobicContact CD2-CG2 4.47Å; L441-I444 HydrophobicContact CB-CB 4.41Å; L441-I444 HydrophobicContact CB-CG1 4.02Å; L441-I444 WeakPolarHBondContact O-CA 3.45Å; L441-I444 WeakPolarHBondContact O-CB 3.46Å; L441-I444 PolarHBondContact O-N 3.21Å; K442-I444 VanDerWaalsContact C-N 3.33Å; K442-I444 PolarHBondContact O-N 3.43Å; I444-M446 VanDerWaalsContact C-N 3.32Å; I444-M446 PolarHBondContact O-N 2.82Å; I444-A447 WeakPolarHBondContact O-CB 3.36Å; I444-A447 PolarHBondContact O-N 2.91Å; I444-K448 HydrophobicContact CG2-CD 4.49Å; I444-K448 WeakPolarHBondContact O-CG 3.39Å; I444-K448 PolarHBondContact O-N 2.87Å
445	S	98.3	Very high	96.4	Very high	21 Å²	21	68.8 Å²	68.8	15%	0.147	34%	0.337	C	S	.	.	H	α-helix	trans	-59.4	-43.5	173.8	-55.3	0	0	0	0	111.7	D440 L441 K442 K448 E449	D440-S445 WeakPolarHBondContact CB-OG 3.48Å; L441-S445 PolarHBondContact O-N 2.97Å; L441-S445 PolarHBondContact O-OG 3.36Å; K442-S445 PolarHBondContact O-N 3.08Å; S445-K448 PolarHBondContact O-N 3.13Å; S445-E449 PolarHBondContact O-N 3.29Å
446	M	98.2	Very high	96.5	Very high	76 Å²	76	65.2 Å²	65.2	37%	0.374	32%	0.32	S	S	.	.	H	α-helix	trans	-64.2	-41.7	175.2	-69.9	176.8	69.2	0	0	111.9	L305 K442 I444 E449 V450	L305-M446 HydrophobicContact CD1-CB 3.77Å; L305-M446 HydrophobicContact CD2-CE 4.08Å; K442-M446 HydrophobicContact CG-SD 4.31Å; K442-M446 VanDerWaalsContact O-CG 3.29Å; K442-M446 WeakPolarHBondContact O-CG 3.47Å; K442-M446 PolarHBondContact O-N 2.55Å; I444-M446 VanDerWaalsContact C-N 3.32Å; I444-M446 PolarHBondContact O-N 2.82Å; M446-E449 PolarHBondContact O-N 2.79Å; M446-V450 WeakPolarHBondContact O-CG2 3.41Å; M446-V450 PolarHBondContact O-N 2.86Å
447	A	98.6	Very high	96.5	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.008	32%	0.319	C	S	.	.	H	α-helix	trans	-61.1	-45.5	175.5	0	0	0	0	0	111.9	A302 L305 L308 L400 E443 I444 E449 V450 I451	A302-A447 HydrophobicContact CB-CB 3.84Å; L305-A447 HydrophobicContact CD1-CB 4.31Å; L308-A447 HydrophobicContact CD1-CB 3.94Å; L400-A447 HydrophobicContact CD2-CB 3.83Å; E443-A447 WeakPolarHBondContact O-CB 3.39Å; E443-A447 PolarHBondContact O-N 3.23Å; I444-A447 WeakPolarHBondContact O-CB 3.36Å; I444-A447 PolarHBondContact O-N 2.91Å; A447-E449 PolarHBondContact O-N 3.09Å; A447-V450 PolarHBondContact O-N 3.47Å; A447-I451 WeakPolarHBondContact O-CD1 3.23Å; A447-I451 VanDerWaalsContact O-CG1 3.26Å; A447-I451 WeakPolarHBondContact O-CG1 3.2Å; A447-I451 PolarHBondContact O-N 3.37Å
448	K	98.6	Very high	96.6	Very high	12 Å²	12	59.3 Å²	59.3	5%	0.052	30%	0.298	C	S	.	.	H	α-helix	trans	-57.5	-46.6	175.4	-76.5	178.6	175.6	-176.8	0	112	L400 T433 L434 N435 I436 D440 I444 S445 I451 A452	L400-K448 HydrophobicContact CD1-CG 3.64Å; L400-K448 HydrophobicContact CD2-CG 4.41Å; T433-K448 VanDerWaalsContact O-CE 3.32Å; T433-K448 WeakPolarHBondContact O-CE 3.32Å; L434-K448 HydrophobicContact CD2-CB 4.39Å; L434-K448 HydrophobicContact CD2-CG 4.3Å; N435-K448 PolarHBondContact O-NZ 2.97Å; N435-K448 VanDerWaalsContact O-NZ 3.07Å; I436-K448 HydrophobicContact CG1-CB 4.4Å; D440-K448 VanDerWaalsContact CG-NZ 3.35Å; D440-K448 IonicContact OD1-NZ 3.77Å; D440-K448 PolarHBondContact OD1-NZ 2.86Å; D440-K448 IonicContact OD2-NZ 3.77Å; D440-K448 PolarHBondContact OD2-NZ 3.29Å; I444-K448 HydrophobicContact CG2-CD 4.49Å; I444-K448 WeakPolarHBondContact O-CG 3.39Å; I444-K448 PolarHBondContact O-N 2.87Å; S445-K448 PolarHBondContact O-N 3.13Å; K448-I451 PolarHBondContact O-N 3.39Å; K448-A452 VanDerWaalsContact O-CB 3.23Å; K448-A452 WeakPolarHBondContact O-CB 3.38Å; K448-A452 PolarHBondContact O-N 2.85Å
449	E	98.3	Very high	96.7	Very high	123 Å²	123	49.9 Å²	49.9	58%	0.575	25%	0.254	S	S	*	.	H	α-helix	trans	-61.1	-45.5	179	-172.5	-179.4	-179.4	0	0	112	I436 S445 M446 A447 A452 K453	I436-E449 HydrophobicContact CD1-CB 4.46Å; S445-E449 PolarHBondContact O-N 3.29Å; M446-E449 PolarHBondContact O-N 2.79Å; A447-E449 PolarHBondContact O-N 3.09Å; E449-A452 PolarHBondContact O-N 2.81Å; E449-K453 VanDerWaalsContact O-CB 3.3Å; E449-K453 WeakPolarHBondContact O-CB 3.32Å; E449-K453 PolarHBondContact O-N 2.98Å
450	V	98.3	Very high	96.5	Very high	34 Å²	34	46.1 Å²	46.1	21%	0.206	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-47.8	178.1	169.8	0	0	0	0	111.3	Q301 A302 L305 M446 A447 K453 E454	Q301-V450 HydrophobicContact CB-CG1 3.5Å; A302-V450 HydrophobicContact CB-CG1 4.42Å; L305-V450 HydrophobicContact CD2-CG2 4.43Å; M446-V450 WeakPolarHBondContact O-CG2 3.41Å; M446-V450 PolarHBondContact O-N 2.86Å; A447-V450 PolarHBondContact O-N 3.47Å; V450-K453 PolarHBondContact O-N 3.05Å; V450-E454 PolarHBondContact O-N 2.95Å
451	I	98.5	Very high	96.2	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-64.7	-45.6	179.2	-62.1	162.2	0	0	0	110.3	G298 I299 A302 L400 F404 L434 A447 K448 K453 E454 L455	G298-I451 WeakPolarHBondContact O-CG1 3.15Å; I299-I451 HydrophobicContact CG1-CD1 3.98Å; I299-I451 HydrophobicContact CG1-CG1 4.26Å; A302-I451 HydrophobicContact CB-CD1 4.12Å; A302-I451 HydrophobicContact CB-CG1 4Å; L400-I451 HydrophobicContact CD2-CD1 4.11Å; F404-I451 HydrophobicContact CE1-CG2 4.23Å; F404-I451 HydrophobicContact CZ-CG2 3.7Å; L434-I451 HydrophobicContact CD1-CB 4.43Å; L434-I451 HydrophobicContact CD1-CG2 3.86Å; L434-I451 HydrophobicContact CD2-CB 3.91Å; L434-I451 HydrophobicContact CD2-CD1 4.38Å; L434-I451 HydrophobicContact CD2-CG2 3.85Å; A447-I451 WeakPolarHBondContact O-CD1 3.23Å; A447-I451 VanDerWaalsContact O-CG1 3.26Å; A447-I451 WeakPolarHBondContact O-CG1 3.2Å; A447-I451 PolarHBondContact O-N 3.37Å; K448-I451 PolarHBondContact O-N 3.39Å; I451-K453 VanDerWaalsContact C-N 3.33Å; I451-K453 PolarHBondContact O-N 2.65Å; I451-E454 PolarHBondContact O-N 2.76Å; I451-L455 HydrophobicContact CG2-CD1 4.23Å; I451-L455 HydrophobicContact CG2-CG 4.43Å; I451-L455 WeakPolarHBondContact O-CG 3.28Å; I451-L455 PolarHBondContact O-N 3.48Å; I451-L455 VanDerWaalsContact O-N 3.12Å
452	A	98.3	Very high	95.8	Very high	21 Å²	21	49.1 Å²	49.1	17%	0.174	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-43.8	179.5	0	0	0	0	0	111.9	L430 L434 K448 E449 E454 L455 S456	L430-A452 HydrophobicContact CD2-CB 3.86Å; L434-A452 HydrophobicContact CB-CB 4.14Å; L434-A452 HydrophobicContact CD1-CB 4.06Å; K448-A452 VanDerWaalsContact O-CB 3.23Å; K448-A452 WeakPolarHBondContact O-CB 3.38Å; K448-A452 PolarHBondContact O-N 2.85Å; E449-A452 PolarHBondContact O-N 2.81Å; A452-E454 VanDerWaalsContact C-N 3.34Å; A452-E454 PolarHBondContact O-N 3.19Å; A452-L455 PolarHBondContact O-N 3.25Å; A452-S456 WeakPolarHBondContact O-CB 3.48Å; A452-S456 PolarHBondContact O-N 2.93Å; A452-S456 PolarHBondContact O-OG 3.49Å
453	K	97.7	Very high	95.6	Very high	148 Å²	148	46.9 Å²	46.9	64%	0.643	25%	0.246	S	C	*	.	H	α-helix	trans	-59.3	-44.2	178.1	-177.7	-178.1	177.6	-175.7	0	112.3	E449 V450 I451 T457	E449-K453 VanDerWaalsContact O-CB 3.3Å; E449-K453 WeakPolarHBondContact O-CB 3.32Å; E449-K453 PolarHBondContact O-N 2.98Å; V450-K453 PolarHBondContact O-N 3.05Å; I451-K453 VanDerWaalsContact C-N 3.33Å; I451-K453 PolarHBondContact O-N 2.65Å; K453-T457 VanDerWaalsContact O-CB 3.23Å; K453-T457 WeakPolarHBondContact O-CB 3.46Å; K453-T457 PolarHBondContact O-N 3.06Å; K453-T457 PolarHBondContact O-OG1 3.36Å
454	E	96.9	Very high	95.3	Very high	51 Å²	51	52.9 Å²	52.9	24%	0.238	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-48.9	177.6	-176.8	65.2	-156	0	0	111.1	T294 A297 Q301 V450 I451 A452 T458	T294-E454 HydrophobicContact CG2-CG 3.99Å; A297-E454 HydrophobicContact CB-CG 4.31Å; Q301-E454 PolarHBondContact NE2-OE2 3.32Å; V450-E454 PolarHBondContact O-N 2.95Å; I451-E454 PolarHBondContact O-N 2.76Å; A452-E454 VanDerWaalsContact C-N 3.34Å; A452-E454 PolarHBondContact O-N 3.19Å; E454-T458 WeakPolarHBondContact O-CB 3.46Å; E454-T458 PolarHBondContact O-N 2.89Å; E454-T458 VanDerWaalsContact O-N 3.09Å; E454-T458 PolarHBondContact O-OG1 2.79Å
455	L	96.8	Very high	95.2	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-46.7	179.9	-62.3	-178	0	0	0	112.5	T294 F295 F404 L426 L430 L434 I451 A452 T458 Y459	T294-L455 HydrophobicContact CG2-CD2 3.81Å; F295-L455 HydrophobicContact CD1-CD2 3.63Å; F295-L455 HydrophobicContact CE1-CD1 4.48Å; F295-L455 HydrophobicContact CE1-CD2 3.85Å; F404-L455 HydrophobicContact CE1-CD1 4.36Å; L426-L455 HydrophobicContact CD2-CB 4.23Å; L426-L455 HydrophobicContact CD2-CD1 4.35Å; L426-L455 HydrophobicContact CD2-CD2 4.33Å; L430-L455 HydrophobicContact CD2-CB 4.17Å; L430-L455 HydrophobicContact CD2-CD1 4.44Å; L434-L455 HydrophobicContact CD1-CD1 3.7Å; I451-L455 HydrophobicContact CG2-CD1 4.23Å; I451-L455 HydrophobicContact CG2-CG 4.43Å; I451-L455 WeakPolarHBondContact O-CG 3.28Å; I451-L455 PolarHBondContact O-N 3.48Å; I451-L455 VanDerWaalsContact O-N 3.12Å; A452-L455 PolarHBondContact O-N 3.25Å; L455-T458 PolarHBondContact O-N 2.82Å; L455-Y459 WeakPolarHBondContact O-CD2 3.48Å; L455-Y459 PolarHBondContact O-N 2.97Å
456	S	95.6	Very high	95	Very high	20 Å²	20	53.8 Å²	53.8	14%	0.14	28%	0.277	C	S	.	.	H	α-helix	trans	-64.6	-43.7	179.9	-74.9	0	0	0	0	111.8	A452 T458 Y459 Q460 H461	A452-S456 WeakPolarHBondContact O-CB 3.48Å; A452-S456 PolarHBondContact O-N 2.93Å; A452-S456 PolarHBondContact O-OG 3.49Å; S456-T458 VanDerWaalsContact C-N 3.28Å; S456-T458 PolarHBondContact O-N 2.66Å; S456-Y459 PolarHBondContact O-N 2.56Å; S456-Q460 VanDerWaalsContact CB-OE1 3.3Å; S456-Q460 WeakPolarHBondContact O-CA 3.49Å; S456-Q460 WeakPolarHBondContact O-CB 3.46Å; S456-Q460 PolarHBondContact O-N 3.07Å; S456-Q460 PolarHBondContact OG-OE1 3.46Å; S456-H461 PolarHBondContact O-N 3.44Å
457	T	94.9	Very high	94.9	Very high	68 Å²	68	52.6 Å²	52.6	42%	0.417	27%	0.271	S	S	.	.	H	α-helix	trans	-63.2	-37.8	178.8	-61.4	0	0	0	0	111.6	K453	K453-T457 VanDerWaalsContact O-CB 3.23Å; K453-T457 WeakPolarHBondContact O-CB 3.46Å; K453-T457 PolarHBondContact O-N 3.06Å; K453-T457 PolarHBondContact O-OG1 3.36Å
458	T	94.4	Very high	94.9	Very high	21 Å²	21	53 Å²	53	13%	0.129	27%	0.273	C	S	.	.	H	α-helix	trans	-71	-45.7	180	-57.3	0	0	0	0	112.6	P289 T294 E454 L455 S456 T462	P289-T458 HydrophobicContact CB-CG2 3.48Å; P289-T458 VanDerWaalsContact CB-CG2 3.48Å; P289-T458 HydrophobicContact CG-CG2 3.56Å; T294-T458 HydrophobicContact CG2-CG2 3.91Å; T294-T458 WeakPolarHBondContact CG2-OG1 3.45Å; E454-T458 WeakPolarHBondContact O-CB 3.46Å; E454-T458 PolarHBondContact O-N 2.89Å; E454-T458 VanDerWaalsContact O-N 3.09Å; E454-T458 PolarHBondContact O-OG1 2.79Å; L455-T458 PolarHBondContact O-N 2.82Å; S456-T458 VanDerWaalsContact C-N 3.28Å; S456-T458 PolarHBondContact O-N 2.66Å; T458-T462 PolarHBondContact O-OG1 3.48Å
459	Y	94.3	Very high	94.8	Very high	1 Å²	1	52.5 Å²	52.5	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-116.7	-16	-165.8	-64.9	-72.6	0	0	0	116.8	M288 P289 L291 T294 V422 K423 L426 L455 S456 I465 L469	M288-Y459 HydrophobicContact SD-CE1 4.36Å; P289-Y459 HydrophobicContact CB-CE1 4.21Å; P289-Y459 HydrophobicContact CG-CE1 4.4Å; P289-Y459 PolarHBondContact O-OH 3.5Å; L291-Y459 WeakPolarHBondContact CA-OH 3.28Å; L291-Y459 HydrophobicContact CD1-CE2 3.83Å; L291-Y459 PolarHBondContact N-OH 3.36Å; L291-Y459 VanDerWaalsContact N-OH 3.17Å; T294-Y459 HydrophobicContact CG2-CE2 3.86Å; T294-Y459 PolarHBondContact OG1-OH 3.12Å; V422-Y459 HydrophobicContact CG1-CD1 4.45Å; V422-Y459 HydrophobicContact CG1-CE1 4.43Å; K423-Y459 PolarHBondContact NZ-O 2.72Å; L426-Y459 VanDerWaalsContact CD1-CB 3.44Å; L426-Y459 HydrophobicContact CD1-CD1 4.23Å; L426-Y459 HydrophobicContact CD1-CD2 3.72Å; L426-Y459 HydrophobicContact CD1-CG 3.54Å; L426-Y459 HydrophobicContact CD2-CD2 3.94Å; L426-Y459 HydrophobicContact CD2-CE2 4.46Å; L426-Y459 HydrophobicContact CG-CD2 4.47Å; L455-Y459 WeakPolarHBondContact O-CD2 3.48Å; L455-Y459 PolarHBondContact O-N 2.97Å; S456-Y459 PolarHBondContact O-N 2.56Å; Y459-I465 HydrophobicContact CD1-CG2 3.99Å; Y459-L469 HydrophobicContact CD1-CD1 3.72Å; Y459-L469 HydrophobicContact CE1-CD1 4.42Å
460	Q	87.1	Confident	94.8	Very high	82 Å²	82	46.8 Å²	46.8	38%	0.383	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-35.9	179.2	-64.2	178.3	-26.2	0	0	111.5	L430 S456 T462	L430-Q460 VanDerWaalsContact CD1-NE2 3.26Å; S456-Q460 VanDerWaalsContact CB-OE1 3.3Å; S456-Q460 WeakPolarHBondContact O-CA 3.49Å; S456-Q460 WeakPolarHBondContact O-CB 3.46Å; S456-Q460 PolarHBondContact O-N 3.07Å; S456-Q460 PolarHBondContact OG-OE1 3.46Å; Q460-T462 VanDerWaalsContact C-N 3.32Å; Q460-T462 PolarHBondContact O-N 3.21Å
461	H	87.3	Confident	94.8	Very high	128 Å²	128	45.2 Å²	45.2	59%	0.593	23%	0.234	S	C	*	.	S	Bend	trans	-84.2	-4.5	-177.8	-61.3	169.6	0	0	0	114.2	S456 P463	S456-H461 PolarHBondContact O-N 3.44Å; H461-P463 WeakPolarHBondContact O-CD 3.32Å
462	T	89.3	Confident	94.8	Very high	40 Å²	40	45.1 Å²	45.1	25%	0.245	23%	0.234	C	C	.	.			trans	-105.1	99.2	174.5	-50.9	0	0	0	0	109.5	T458 Q460 E464 I465 D466	T458-T462 PolarHBondContact O-OG1 3.48Å; Q460-T462 VanDerWaalsContact C-N 3.32Å; Q460-T462 PolarHBondContact O-N 3.21Å; T462-E464 VanDerWaalsContact C-N 3.32Å; T462-E464 PolarHBondContact O-N 2.94Å; T462-I465 HydrophobicContact CG2-CB 4.15Å; T462-I465 HydrophobicContact CG2-CD1 3.61Å; T462-I465 HydrophobicContact CG2-CG1 3.8Å; T462-I465 PolarHBondContact O-N 3.41Å; T462-D466 WeakPolarHBondContact O-CB 3.21Å; T462-D466 PolarHBondContact O-N 3.25Å
463	P	91.4	Very high	94.7	Very high	101 Å²	101	44.1 Å²	44.1	66%	0.656	23%	0.226	S	C	*	.	H	α-helix	trans	-60.8	-36.1	-168.2	-26	35.5	0	0	0	114.4	H461 D466 M467	H461-P463 WeakPolarHBondContact O-CD 3.32Å; P463-D466 PolarHBondContact O-N 3.29Å; P463-M467 WeakPolarHBondContact O-CB 3.44Å; P463-M467 PolarHBondContact O-N 3.26Å
464	E	91.1	Very high	94.8	Very high	155 Å²	155	37.2 Å²	37.2	72%	0.724	20%	0.196	S	C	*	.	H	α-helix	trans	-65.9	-44.8	179.6	-66.1	174.8	178.3	0	0	111.6	T462 F468	T462-E464 VanDerWaalsContact C-N 3.32Å; T462-E464 PolarHBondContact O-N 2.94Å; E464-F468 WeakPolarHBondContact O-CB 3.28Å; E464-F468 PolarHBondContact O-N 2.91Å
465	I	94.6	Very high	94.8	Very high	9 Å²	9	34.8 Å²	34.8	5%	0.046	18%	0.184	C	C	.	.	H	α-helix	trans	-66.1	-44.3	175	-64.7	172.5	0	0	0	110.1	M288 P289 Y459 T462 F468 L469	M288-I465 HydrophobicContact CE-CG2 4.11Å; M288-I465 HydrophobicContact SD-CG2 4.02Å; P289-I465 HydrophobicContact CG-CD1 3.87Å; Y459-I465 HydrophobicContact CD1-CG2 3.99Å; T462-I465 HydrophobicContact CG2-CB 4.15Å; T462-I465 HydrophobicContact CG2-CD1 3.61Å; T462-I465 HydrophobicContact CG2-CG1 3.8Å; T462-I465 PolarHBondContact O-N 3.41Å; I465-F468 PolarHBondContact O-N 2.99Å; I465-L469 HydrophobicContact CG2-CD1 3.85Å; I465-L469 HydrophobicContact CG2-CG 4.23Å; I465-L469 WeakPolarHBondContact O-CB 3.32Å; I465-L469 VanDerWaalsContact O-CG 3.27Å; I465-L469 WeakPolarHBondContact O-CG 3.32Å; I465-L469 PolarHBondContact O-N 3.24Å
466	D	95.4	Very high	94.8	Very high	37 Å²	37	34.8 Å²	34.8	20%	0.198	18%	0.184	C	C	.	.	H	α-helix	trans	-57.7	-52.4	179.5	-174.1	85.3	0	0	0	111.2	K423 T462 P463 F468 L469 N470	K423-D466 WeakPolarHBondContact CE-OD1 3.43Å; K423-D466 IonicContact NZ-OD1 3.69Å; K423-D466 PolarHBondContact NZ-OD1 3.5Å; T462-D466 WeakPolarHBondContact O-CB 3.21Å; T462-D466 PolarHBondContact O-N 3.25Å; P463-D466 PolarHBondContact O-N 3.29Å; D466-F468 PolarHBondContact O-N 3.37Å; D466-L469 PolarHBondContact O-N 3.32Å; D466-N470 WeakPolarHBondContact O-CB 3.5Å; D466-N470 PolarHBondContact O-N 3.26Å; D466-N470 PolarHBondContact O-ND2 2.76Å; D466-N470 VanDerWaalsContact O-ND2 3.16Å; D466-N470 PolarHBondContact OD2-ND2 3.49Å
467	M	96.3	Very high	94.9	Very high	52 Å²	52	33.9 Å²	33.9	26%	0.256	18%	0.178	S	C	.	.	H	α-helix	trans	-62.5	-43.3	177	-176.9	56.9	67.2	0	0	111.8	P463 L469 N470 V471 Q492 V493 R496	P463-M467 WeakPolarHBondContact O-CB 3.44Å; P463-M467 PolarHBondContact O-N 3.26Å; M467-L469 VanDerWaalsContact C-N 3.34Å; M467-L469 PolarHBondContact O-N 3.39Å; M467-N470 PolarHBondContact O-N 2.97Å; M467-V471 WeakPolarHBondContact O-CG2 3.37Å; M467-V471 PolarHBondContact O-N 3.09Å; M467-V471 HydrophobicContact SD-CG2 4.35Å; M467-Q492 HydrophobicContact CE-CB 4.04Å; M467-V493 HydrophobicContact SD-CG2 3.99Å; M467-R496 HydrophobicContact CG-CG 4.49Å; M467-R496 HydrophobicContact SD-CB 4.43Å
468	F	97.3	Very high	94.9	Very high	10 Å²	10	31.2 Å²	31.2	4%	0.044	16%	0.16	C	C	.	.	H	α-helix	trans	-57.6	-48.7	177.9	177.4	-83.1	0	0	0	111.5	F265 V286 M288 I419 E464 I465 D466 N470 V471 A472 Y607 I610	F265-F468 HydrophobicContact CD1-CE2 4.33Å; F265-F468 HydrophobicContact CE1-CD2 4.35Å; F265-F468 AromaticContact CE1-CE2 3.86Å; F265-F468 HydrophobicContact CE1-CE2 3.86Å; V286-F468 HydrophobicContact CG1-CD1 4.48Å; V286-F468 HydrophobicContact CG1-CD2 4.14Å; V286-F468 HydrophobicContact CG1-CE2 4.35Å; V286-F468 HydrophobicContact CG1-CG 4.23Å; V286-F468 HydrophobicContact CG2-CD2 3.78Å; V286-F468 HydrophobicContact CG2-CE2 4.04Å; M288-F468 HydrophobicContact CE-CD1 3.44Å; M288-F468 VanDerWaalsContact CE-CD1 3.44Å; M288-F468 HydrophobicContact CE-CE1 3.81Å; M288-F468 HydrophobicContact CE-CG 4.29Å; I419-F468 HydrophobicContact CD1-CE1 4.38Å; I419-F468 HydrophobicContact CG1-CE1 4.01Å; E464-F468 WeakPolarHBondContact O-CB 3.28Å; E464-F468 PolarHBondContact O-N 2.91Å; I465-F468 PolarHBondContact O-N 2.99Å; D466-F468 PolarHBondContact O-N 3.37Å; F468-N470 VanDerWaalsContact C-N 3.34Å; F468-N470 PolarHBondContact O-N 3.12Å; F468-V471 PolarHBondContact O-N 3.07Å; F468-A472 HydrophobicContact CE1-CB 4.48Å; F468-A472 PolarHBondContact O-N 3.08Å; F468-Y607 HydrophobicContact CB-CE1 4.47Å; F468-Y607 HydrophobicContact CD1-CD1 4.36Å; F468-Y607 AromaticContact CD2-CD1 3.5Å; F468-Y607 HydrophobicContact CD2-CD1 3.5Å; F468-Y607 AromaticContact CD2-CE1 3.38Å; F468-Y607 HydrophobicContact CD2-CE1 3.38Å; F468-Y607 HydrophobicContact CE1-CD1 4.18Å; F468-Y607 AromaticContact CE2-CD1 3.27Å; F468-Y607 HydrophobicContact CE2-CD1 3.27Å; F468-Y607 AromaticContact CE2-CE1 3.63Å; F468-Y607 HydrophobicContact CE2-CE1 3.63Å; F468-Y607 AromaticContact CE2-CG 3.99Å; F468-Y607 HydrophobicContact CE2-CG 3.99Å; F468-Y607 HydrophobicContact CG-CD1 4.03Å; F468-Y607 AromaticContact CG-CE1 3.98Å; F468-Y607 HydrophobicContact CG-CE1 3.98Å; F468-Y607 AromaticContact CZ-CD1 3.64Å; F468-Y607 HydrophobicContact CZ-CD1 3.64Å; F468-Y607 HydrophobicContact CZ-CE1 4.39Å; F468-Y607 HydrophobicContact CZ-CG 4.23Å; F468-Y607 WeakPolarHBondContact CZ-O 3.19Å; F468-I610 HydrophobicContact CE1-CB 4.44Å; F468-I610 HydrophobicContact CE1-CD1 4.22Å; F468-I610 HydrophobicContact CE1-CG2 4.49Å; F468-I610 HydrophobicContact CE2-CD1 3.6Å; F468-I610 HydrophobicContact CZ-CB 4.08Å; F468-I610 HydrophobicContact CZ-CD1 3.33Å; F468-I610 HydrophobicContact CZ-CG1 4.25Å
469	L	97.7	Very high	95	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67	-35.6	179.2	-70.2	176.7	0	0	0	112.2	M288 I419 V422 K423 Y459 I465 D466 M467 A472 T473	M288-L469 HydrophobicContact CE-CD2 3.85Å; M288-L469 HydrophobicContact CE-CG 4.09Å; M288-L469 HydrophobicContact SD-CD2 4.06Å; M288-L469 HydrophobicContact SD-CG 4.41Å; I419-L469 HydrophobicContact CD1-CD2 3.51Å; I419-L469 HydrophobicContact CG1-CD2 4.08Å; V422-L469 HydrophobicContact CB-CD1 4.38Å; V422-L469 HydrophobicContact CB-CD2 3.93Å; V422-L469 HydrophobicContact CG1-CD1 3.72Å; V422-L469 HydrophobicContact CG1-CD2 4.09Å; V422-L469 HydrophobicContact CG2-CD2 4.26Å; K423-L469 HydrophobicContact CD-CB 4.23Å; K423-L469 HydrophobicContact CG-CB 3.6Å; Y459-L469 HydrophobicContact CD1-CD1 3.72Å; Y459-L469 HydrophobicContact CE1-CD1 4.42Å; I465-L469 HydrophobicContact CG2-CD1 3.85Å; I465-L469 HydrophobicContact CG2-CG 4.23Å; I465-L469 WeakPolarHBondContact O-CB 3.32Å; I465-L469 VanDerWaalsContact O-CG 3.27Å; I465-L469 WeakPolarHBondContact O-CG 3.32Å; I465-L469 PolarHBondContact O-N 3.24Å; D466-L469 PolarHBondContact O-N 3.32Å; M467-L469 VanDerWaalsContact C-N 3.34Å; M467-L469 PolarHBondContact O-N 3.39Å; L469-A472 PolarHBondContact O-N 2.98Å; L469-T473 VanDerWaalsContact O-CB 3.28Å; L469-T473 WeakPolarHBondContact O-CB 3.43Å; L469-T473 PolarHBondContact O-N 3.31Å; L469-T473 PolarHBondContact O-OG1 2.77Å
470	N	97.8	Very high	95	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-63.1	-42.1	174.6	-70.2	-28.4	0	0	0	111.3	K423 D466 M467 F468 T473 F474 L485 V493	K423-N470 WeakPolarHBondContact CD-OD1 3.44Å; D466-N470 WeakPolarHBondContact O-CB 3.5Å; D466-N470 PolarHBondContact O-N 3.26Å; D466-N470 PolarHBondContact O-ND2 2.76Å; D466-N470 VanDerWaalsContact O-ND2 3.16Å; D466-N470 PolarHBondContact OD2-ND2 3.49Å; M467-N470 PolarHBondContact O-N 2.97Å; F468-N470 VanDerWaalsContact C-N 3.34Å; F468-N470 PolarHBondContact O-N 3.12Å; N470-T473 PolarHBondContact O-N 3.01Å; N470-F474 WeakPolarHBondContact O-CB 3.47Å; N470-F474 PolarHBondContact O-N 3.22Å; N470-L485 HydrophobicContact CB-CD1 4.35Å; N470-V493 HydrophobicContact CB-CG2 3.61Å
471	V	98.1	Very high	95.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.2	-47.2	174.1	173.7	0	0	0	0	111.3	M467 F468 T473 F474 L475 V493 R496 V497 Y607	M467-V471 WeakPolarHBondContact O-CG2 3.37Å; M467-V471 PolarHBondContact O-N 3.09Å; M467-V471 HydrophobicContact SD-CG2 4.35Å; F468-V471 PolarHBondContact O-N 3.07Å; V471-T473 PolarHBondContact O-N 2.81Å; V471-F474 WeakPolarHBondContact O-CB 3.34Å; V471-F474 PolarHBondContact O-N 2.77Å; V471-F474 VanDerWaalsContact O-N 3.14Å; V471-L475 HydrophobicContact CG1-CD1 4.04Å; V471-L475 WeakPolarHBondContact O-CG 3.44Å; V471-L475 PolarHBondContact O-N 2.96Å; V471-L475 VanDerWaalsContact O-N 3.07Å; V471-V493 HydrophobicContact CG2-CG1 4.02Å; V471-R496 HydrophobicContact CG2-CB 4.06Å; V471-R496 HydrophobicContact CG2-CG 3.83Å; V471-V497 HydrophobicContact CG1-CG2 3.76Å; V471-V497 HydrophobicContact CG2-CG2 4.45Å; V471-Y607 HydrophobicContact CB-CD1 3.99Å; V471-Y607 HydrophobicContact CB-CE1 3.53Å; V471-Y607 HydrophobicContact CG1-CD1 3.76Å; V471-Y607 HydrophobicContact CG1-CD2 4.02Å; V471-Y607 HydrophobicContact CG1-CE1 3.44Å; V471-Y607 VanDerWaalsContact CG1-CE1 3.44Å; V471-Y607 HydrophobicContact CG1-CE2 3.72Å; V471-Y607 HydrophobicContact CG1-CG 4.04Å; V471-Y607 VanDerWaalsContact CG1-CZ 3.41Å; V471-Y607 HydrophobicContact CG2-CE1 4.27Å
472	A	97.6	Very high	95.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.3	-38.8	177.6	0	0	0	0	0	112.1	I419 S420 F468 L469 Y607 W608	I419-A472 HydrophobicContact CG1-CB 4.37Å; I419-A472 HydrophobicContact CG2-CB 4.42Å; S420-A472 WeakPolarHBondContact CB-O 3.5Å; F468-A472 HydrophobicContact CE1-CB 4.48Å; F468-A472 PolarHBondContact O-N 3.08Å; L469-A472 PolarHBondContact O-N 2.98Å; A472-Y607 HydrophobicContact CB-CD1 4.37Å; A472-W608 PolarHBondContact O-NE1 3.32Å
473	T	97.9	Very high	96	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-71.6	-39.5	176.2	-55.6	0	0	0	0	111.9	S420 K423 P424 L469 N470 V471 L475 D476 Y479 L482 F484	S420-T473 PolarHBondContact O-OG1 3.39Å; K423-T473 HydrophobicContact CB-CG2 4.44Å; K423-T473 WeakPolarHBondContact CB-OG1 3.37Å; P424-T473 HydrophobicContact CG-CG2 3.74Å; L469-T473 VanDerWaalsContact O-CB 3.28Å; L469-T473 WeakPolarHBondContact O-CB 3.43Å; L469-T473 PolarHBondContact O-N 3.31Å; L469-T473 PolarHBondContact O-OG1 2.77Å; N470-T473 PolarHBondContact O-N 3.01Å; V471-T473 PolarHBondContact O-N 2.81Å; T473-L475 VanDerWaalsContact C-N 3.3Å; T473-L475 PolarHBondContact O-N 3.42Å; T473-D476 VanDerWaalsContact O-CB 3.3Å; T473-D476 WeakPolarHBondContact O-CB 3.19Å; T473-D476 PolarHBondContact O-N 2.96Å; T473-D476 VanDerWaalsContact O-N 3.09Å; T473-Y479 HydrophobicContact CG2-CD2 4.4Å; T473-Y479 HydrophobicContact CG2-CG 4.26Å; T473-L482 HydrophobicContact CG2-CD2 3.54Å; T473-F484 HydrophobicContact CG2-CZ 4.29Å
474	F	98.3	Very high	96	Very high	3 Å²	3	30.1 Å²	30.1	1%	0.013	15%	0.147	C	C	.	.	H	α-helix	trans	-60	-41.6	177.7	178.8	-102.3	0	0	0	112.1	N470 V471 D476 K480 L482 V493 E494 V497 L571 F574 K575	N470-F474 WeakPolarHBondContact O-CB 3.47Å; N470-F474 PolarHBondContact O-N 3.22Å; V471-F474 WeakPolarHBondContact O-CB 3.34Å; V471-F474 PolarHBondContact O-N 2.77Å; V471-F474 VanDerWaalsContact O-N 3.14Å; F474-D476 PolarHBondContact O-N 3.38Å; F474-K480 WeakPolarHBondContact CD2-O 3.4Å; F474-K480 WeakPolarHBondContact O-CA 3.13Å; F474-K480 WeakPolarHBondContact O-CB 3.3Å; F474-L482 HydrophobicContact CB-CD1 4.02Å; F474-L482 HydrophobicContact CD2-CD1 3.96Å; F474-L482 HydrophobicContact CD2-CG 4.46Å; F474-L482 HydrophobicContact CG-CD1 4.44Å; F474-V493 HydrophobicContact CB-CG1 3.71Å; F474-V493 HydrophobicContact CD2-CG1 4.45Å; F474-V493 HydrophobicContact CG-CG1 4.01Å; F474-E494 HydrophobicContact CE2-CG 4.09Å; F474-E494 HydrophobicContact CZ-CG 4Å; F474-V497 HydrophobicContact CD1-CG2 3.85Å; F474-V497 HydrophobicContact CE1-CG2 4.24Å; F474-L571 HydrophobicContact CE1-CD1 3.5Å; F474-L571 VanDerWaalsContact CE1-CD1 3.5Å; F474-L571 HydrophobicContact CZ-CD1 3.67Å; F474-F574 HydrophobicContact CD1-CE1 4.26Å; F474-F574 HydrophobicContact CE1-CD1 4.05Å; F474-F574 AromaticContact CE1-CE1 3.82Å; F474-F574 HydrophobicContact CE1-CE1 3.82Å; F474-F574 HydrophobicContact CZ-CD1 4.1Å; F474-F574 AromaticContact CZ-CE1 3.97Å; F474-F574 HydrophobicContact CZ-CE1 3.97Å; F474-F574 WeakPolarHBondContact O-CE1 3.32Å; F474-F574 WeakPolarHBondContact O-CZ 3.46Å; F474-K575 HydrophobicContact CE2-CG 4.43Å; F474-K575 HydrophobicContact CZ-CD 4.23Å; F474-K575 HydrophobicContact CZ-CG 4.02Å
475	L	97.4	Very high	96.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-6.1	178.7	-63.5	170.2	0	0	0	113	V471 T473 P477 V497 W590 V603 L604 Y607	V471-L475 HydrophobicContact CG1-CD1 4.04Å; V471-L475 WeakPolarHBondContact O-CG 3.44Å; V471-L475 PolarHBondContact O-N 2.96Å; V471-L475 VanDerWaalsContact O-N 3.07Å; T473-L475 VanDerWaalsContact C-N 3.3Å; T473-L475 PolarHBondContact O-N 3.42Å; L475-P477 WeakPolarHBondContact O-CD 3.41Å; L475-V497 HydrophobicContact CD2-CG1 4.29Å; L475-V497 HydrophobicContact CD2-CG2 4.45Å; L475-W590 WeakPolarHBondContact O-CZ2 3.43Å; L475-W590 PolarHBondContact O-NE1 2.96Å; L475-V603 HydrophobicContact CD1-CB 4.47Å; L475-V603 HydrophobicContact CD1-CG1 3.94Å; L475-L604 HydrophobicContact CB-CD1 3.86Å; L475-Y607 HydrophobicContact CD1-CD2 4.5Å
476	D	97.1	Very high	96.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-83.2	117.2	170.4	-161.6	-50.2	0	0	0	110.4	S420 T473 F474 R478 Y479 K480 W608	S420-D476 WeakPolarHBondContact CB-OD2 3.32Å; S420-D476 PolarHBondContact OG-OD2 3.36Å; T473-D476 VanDerWaalsContact O-CB 3.3Å; T473-D476 WeakPolarHBondContact O-CB 3.19Å; T473-D476 PolarHBondContact O-N 2.96Å; T473-D476 VanDerWaalsContact O-N 3.09Å; F474-D476 PolarHBondContact O-N 3.38Å; D476-R478 PolarHBondContact O-N 3.42Å; D476-R478 VanDerWaalsContact OD1-CB 3.24Å; D476-R478 WeakPolarHBondContact OD1-CB 3.36Å; D476-R478 WeakPolarHBondContact OD1-CG 3.44Å; D476-R478 IonicContact OD1-CZ 2.74Å; D476-R478 PolarHBondContact OD1-N 2.87Å; D476-R478 IonicContact OD1-NE 3.94Å; D476-R478 PolarHBondContact OD1-NE 3.33Å; D476-R478 IonicContact OD1-NH2 2.87Å; D476-R478 IonicContact OD2-CZ 3.07Å; D476-R478 IonicContact OD2-NE 3.22Å; D476-R478 PolarHBondContact OD2-NE 3.12Å; D476-R478 IonicContact OD2-NH2 3.44Å; D476-R478 PolarHBondContact OD2-NH2 3Å; D476-Y479 HydrophobicContact CB-CD2 3.76Å; D476-Y479 HydrophobicContact CB-CG 4.46Å; D476-Y479 PolarHBondContact O-N 2.96Å; D476-K480 PolarHBondContact O-N 3.43Å; D476-W608 HydrophobicContact CB-CH2 4.28Å; D476-W608 HydrophobicContact CB-CZ2 3.82Å
477	P	96.8	Very high	96.3	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.3	-179.5	-23.2	33.5	0	0	0	114.3	L475 F574 L580 W589	L475-P477 WeakPolarHBondContact O-CD 3.41Å; P477-F574 HydrophobicContact CG-CE2 4.29Å; P477-L580 HydrophobicContact CB-CB 3.8Å; P477-L580 HydrophobicContact CB-CD2 4.24Å; P477-L580 PolarHBondContact O-N 2.82Å; P477-L580 VanDerWaalsContact O-N 3.09Å; P477-W589 HydrophobicContact CB-CD2 3.84Å; P477-W589 HydrophobicContact CB-CE3 4.01Å; P477-W589 HydrophobicContact CB-CG 4.22Å; P477-W589 HydrophobicContact CB-CZ3 4.43Å; P477-W589 HydrophobicContact CG-CB 4.38Å; P477-W589 HydrophobicContact CG-CD2 3.51Å; P477-W589 HydrophobicContact CG-CE3 3.24Å; P477-W589 HydrophobicContact CG-CG 4.02Å; P477-W589 HydrophobicContact CG-CH2 4.45Å; P477-W589 HydrophobicContact CG-CZ3 3.77Å
478	R	95.7	Very high	96.4	Very high	12 Å²	12	32.1 Å²	32.1	5%	0.045	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-32.2	176.8	-56.4	172.8	-63.7	165.3	1.7	112.3	Y416 D476 V579 L580 G581 L582	Y416-R478 VanDerWaalsContact CE2-NH2 3.31Å; Y416-R478 PolarHBondContact OH-NH1 3.48Å; D476-R478 PolarHBondContact O-N 3.42Å; D476-R478 VanDerWaalsContact OD1-CB 3.24Å; D476-R478 WeakPolarHBondContact OD1-CB 3.36Å; D476-R478 WeakPolarHBondContact OD1-CG 3.44Å; D476-R478 IonicContact OD1-CZ 2.74Å; D476-R478 PolarHBondContact OD1-N 2.87Å; D476-R478 IonicContact OD1-NE 3.94Å; D476-R478 PolarHBondContact OD1-NE 3.33Å; D476-R478 IonicContact OD1-NH2 2.87Å; D476-R478 IonicContact OD2-CZ 3.07Å; D476-R478 IonicContact OD2-NE 3.22Å; D476-R478 PolarHBondContact OD2-NE 3.12Å; D476-R478 IonicContact OD2-NH2 3.44Å; D476-R478 PolarHBondContact OD2-NH2 3Å; R478-V579 WeakPolarHBondContact O-CG1 3.32Å; R478-L580 WeakPolarHBondContact CA-O 3.29Å; R478-L580 HydrophobicContact CG-CB 3.75Å; R478-L580 HydrophobicContact CG-CD2 3.89Å; R478-L580 HydrophobicContact CG-CG 3.93Å; R478-G581 WeakPolarHBondContact CD-O 3.47Å; R478-G581 WeakPolarHBondContact CG-O 3.31Å; R478-L582 HydrophobicContact CB-CD2 4.34Å; R478-L582 PolarHBondContact NH1-O 2.92Å
479	Y	95.8	Very high	96.3	Very high	38 Å²	38	35.3 Å²	35.3	15%	0.149	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-4	-170.1	-50.6	-54.9	0	0	0	114.7	M421 P424 T473 D476 K481 L482 L582	M421-Y479 HydrophobicContact CG-CE2 4.34Å; P424-Y479 HydrophobicContact CB-CD1 4.24Å; P424-Y479 HydrophobicContact CB-CE1 4.21Å; P424-Y479 HydrophobicContact CG-CD1 3.8Å; P424-Y479 HydrophobicContact CG-CD2 3.86Å; P424-Y479 HydrophobicContact CG-CE1 4.13Å; P424-Y479 HydrophobicContact CG-CE2 4.21Å; P424-Y479 HydrophobicContact CG-CG 3.65Å; T473-Y479 HydrophobicContact CG2-CD2 4.4Å; T473-Y479 HydrophobicContact CG2-CG 4.26Å; D476-Y479 HydrophobicContact CB-CD2 3.76Å; D476-Y479 HydrophobicContact CB-CG 4.46Å; D476-Y479 PolarHBondContact O-N 2.96Å; Y479-K481 PolarHBondContact O-N 3.36Å; Y479-L482 PolarHBondContact O-N 3.01Å; Y479-L582 HydrophobicContact CD1-CD2 4.26Å; Y479-L582 HydrophobicContact CE1-CD2 3.45Å; Y479-L582 VanDerWaalsContact CE1-CD2 3.45Å
480	K	95.3	Very high	96.3	Very high	14 Å²	14	39.4 Å²	39.4	6%	0.061	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-16.6	-176.3	70.3	-179.2	-178.3	-173.9	0	117.9	F474 D476 F574 Q577	F474-K480 WeakPolarHBondContact CD2-O 3.4Å; F474-K480 WeakPolarHBondContact O-CA 3.13Å; F474-K480 WeakPolarHBondContact O-CB 3.3Å; D476-K480 PolarHBondContact O-N 3.43Å; K480-F574 HydrophobicContact CB-CE1 3.8Å; K480-F574 HydrophobicContact CB-CZ 3.78Å; K480-F574 HydrophobicContact CD-CE1 3.92Å; K480-F574 HydrophobicContact CD-CE2 4.14Å; K480-F574 HydrophobicContact CD-CZ 3.71Å; K480-F574 HydrophobicContact CG-CZ 4.41Å; K480-F574 PolarHBondContact NZ-O 3.04Å; K480-Q577 WeakPolarHBondContact CE-O 3.26Å; K480-Q577 PolarHBondContact NZ-O 3.19Å
481	K	94.9	Very high	96.3	Very high	147 Å²	147	43.7 Å²	43.7	64%	0.639	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-22.5	176.7	-73.8	-173	171	177.8	0	113.8	Y479 R490 V579	Y479-K481 PolarHBondContact O-N 3.36Å; K481-R490 PolarHBondContact O-NE 2.89Å; K481-V579 HydrophobicContact CD-CG2 3.89Å; K481-V579 VanDerWaalsContact CE-CG2 3.48Å; K481-V579 HydrophobicContact CG-CG2 4.07Å
482	L	95.2	Very high	96.2	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	24%	0.241	C	C	.	.			trans	43.7	57	179.5	-56.4	176.9	0	0	0	113.7	T473 F474 Y479 F484 L485 R490 V493	T473-L482 HydrophobicContact CG2-CD2 3.54Å; F474-L482 HydrophobicContact CB-CD1 4.02Å; F474-L482 HydrophobicContact CD2-CD1 3.96Å; F474-L482 HydrophobicContact CD2-CG 4.46Å; F474-L482 HydrophobicContact CG-CD1 4.44Å; Y479-L482 PolarHBondContact O-N 3.01Å; L482-F484 HydrophobicContact CB-CZ 4.49Å; L482-F484 HydrophobicContact CD2-CE1 4.27Å; L482-F484 HydrophobicContact CD2-CE2 4.32Å; L482-F484 HydrophobicContact CD2-CZ 3.65Å; L482-F484 PolarHBondContact O-N 3.42Å; L482-L485 HydrophobicContact CB-CB 4.44Å; L482-L485 HydrophobicContact CB-CD1 4.09Å; L482-L485 HydrophobicContact CB-CG 4.25Å; L482-L485 HydrophobicContact CD1-CD1 3.8Å; L482-L485 HydrophobicContact CG-CD1 4.46Å; L482-L485 PolarHBondContact O-N 3.5Å; L482-R490 HydrophobicContact CB-CG 4.24Å; L482-R490 PolarHBondContact O-NE 3.28Å; L482-R490 PolarHBondContact O-NH2 3.47Å; L482-V493 HydrophobicContact CD1-CB 4.44Å; L482-V493 HydrophobicContact CD1-CG1 4.1Å; L482-V493 HydrophobicContact CD1-CG2 4.42Å
483	P	94.6	Very high	96.2	Very high	101 Å²	101	47.5 Å²	47.5	66%	0.656	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.2	-171.6	26	-35.2	0	0	0	113.7	L485 R490	P483-L485 VanDerWaalsContact C-N 3.33Å; P483-R490 VanDerWaalsContact CA-NH2 3.34Å; P483-R490 PolarHBondContact O-NH2 2.87Å
484	F	92.1	Very high	96.2	Very high	49 Å²	49	48.7 Å²	48.7	22%	0.215	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-9	-179.7	51.7	-98.3	0	0	0	114.7	K423 H427 T473 L482	K423-F484 HydrophobicContact CB-CE2 4.17Å; K423-F484 HydrophobicContact CB-CZ 3.83Å; H427-F484 HydrophobicContact CB-CD1 4.42Å; H427-F484 HydrophobicContact CB-CG 4.44Å; H427-F484 WeakPolarHBondContact CE1-CB 3.35Å; H427-F484 WeakPolarHBondContact ND1-CB 3.45Å; H427-F484 AromaticContact ND1-CG 3.94Å; T473-F484 HydrophobicContact CG2-CZ 4.29Å; L482-F484 HydrophobicContact CB-CZ 4.49Å; L482-F484 HydrophobicContact CD2-CE1 4.27Å; L482-F484 HydrophobicContact CD2-CE2 4.32Å; L482-F484 HydrophobicContact CD2-CZ 3.65Å; L482-F484 PolarHBondContact O-N 3.42Å
485	L	94.9	Very high	96.1	Very high	17 Å²	17	52.2 Å²	52.2	9%	0.089	27%	0.265	C	S	.	.	S	Bend	trans	-99.2	148.8	174.4	-61.3	-174.6	0	0	0	110.9	N470 L482 P483 E489 R490 V493	N470-L485 HydrophobicContact CB-CD1 4.35Å; L482-L485 HydrophobicContact CB-CB 4.44Å; L482-L485 HydrophobicContact CB-CD1 4.09Å; L482-L485 HydrophobicContact CB-CG 4.25Å; L482-L485 HydrophobicContact CD1-CD1 3.8Å; L482-L485 HydrophobicContact CG-CD1 4.46Å; L482-L485 PolarHBondContact O-N 3.5Å; P483-L485 VanDerWaalsContact C-N 3.33Å; L485-E489 HydrophobicContact CB-CB 3.95Å; L485-E489 HydrophobicContact CD1-CB 4.32Å; L485-E489 HydrophobicContact CD2-CB 4.38Å; L485-E489 HydrophobicContact CG-CB 4.44Å; L485-R490 HydrophobicContact CB-CG 3.87Å; L485-R490 PolarHBondContact O-NE 3.36Å; L485-R490 VanDerWaalsContact O-NE 3.13Å; L485-R490 PolarHBondContact O-NH2 2.94Å; L485-V493 HydrophobicContact CD1-CG2 4.05Å
486	S	96.2	Very high	96.1	Very high	56 Å²	56	56.8 Å²	56.8	39%	0.392	28%	0.282	S	S	.	.			trans	-65.6	163.6	167.5	69.6	0	0	0	0	111.7	F488 E489 R490	S486-F488 PolarHBondContact O-N 3.04Å; S486-E489 WeakPolarHBondContact CB-OE2 3.31Å; S486-E489 PolarHBondContact N-OE2 3.4Å; S486-E489 PolarHBondContact O-N 3.04Å; S486-E489 WeakPolarHBondContact OG-CG 3.21Å; S486-E489 PolarHBondContact OG-N 3.22Å; S486-E489 PolarHBondContact OG-OE2 2.98Å; S486-R490 WeakPolarHBondContact O-CG 3.4Å; S486-R490 PolarHBondContact O-N 3.35Å
487	A	96.3	Very high	96.1	Very high	82 Å²	82	56.8 Å²	56.8	68%	0.678	28%	0.282	S	S	*	.	H	α-helix	trans	-59.4	-35.6	177.2	0	0	0	0	0	112.6	Q491	A487-Q491 PolarHBondContact O-N 3.41Å; A487-Q491 VanDerWaalsContact O-N 3.1Å
488	F	96.9	Very high	96.1	Very high	140 Å²	140	57.4 Å²	57.4	61%	0.614	29%	0.286	S	S	*	.	H	α-helix	trans	-66.6	-47.9	177.1	176.2	-101.4	0	0	0	111.7	S486 R490 Q491 Q492	S486-F488 PolarHBondContact O-N 3.04Å; F488-R490 VanDerWaalsContact C-N 3.34Å; F488-R490 PolarHBondContact O-N 2.81Å; F488-Q491 WeakPolarHBondContact O-CB 3.39Å; F488-Q491 PolarHBondContact O-N 3.35Å; F488-Q491 VanDerWaalsContact O-N 3.14Å; F488-Q492 HydrophobicContact CD1-CG 4.46Å; F488-Q492 HydrophobicContact CE1-CG 4.08Å; F488-Q492 HydrophobicContact CZ-CG 4.17Å; F488-Q492 PolarHBondContact O-N 2.9Å
489	E	96.1	Very high	96	Very high	76 Å²	76	61.7 Å²	61.7	36%	0.355	31%	0.307	S	S	.	.	H	α-helix	trans	-63.2	-40.1	177.9	-70.9	162.3	132.2	0	0	111.6	L485 S486 Q491 Q492 V493	L485-E489 HydrophobicContact CB-CB 3.95Å; L485-E489 HydrophobicContact CD1-CB 4.32Å; L485-E489 HydrophobicContact CD2-CB 4.38Å; L485-E489 HydrophobicContact CG-CB 4.44Å; S486-E489 WeakPolarHBondContact CB-OE2 3.31Å; S486-E489 PolarHBondContact N-OE2 3.4Å; S486-E489 PolarHBondContact O-N 3.04Å; S486-E489 WeakPolarHBondContact OG-CG 3.21Å; S486-E489 PolarHBondContact OG-N 3.22Å; S486-E489 PolarHBondContact OG-OE2 2.98Å; E489-Q491 VanDerWaalsContact C-N 3.3Å; E489-Q491 PolarHBondContact O-N 3.21Å; E489-Q492 WeakPolarHBondContact O-CB 3.36Å; E489-Q492 PolarHBondContact O-N 3.21Å; E489-Q492 VanDerWaalsContact O-N 3.14Å; E489-V493 WeakPolarHBondContact O-CG2 3.24Å; E489-V493 PolarHBondContact O-N 3.43Å
490	R	97.6	Very high	96	Very high	87 Å²	87	60.3 Å²	60.3	33%	0.328	30%	0.302	S	S	.	.	H	α-helix	trans	-59	-42.5	173.1	-68.7	-179.6	-161.3	162	12.2	111.8	K481 L482 P483 L485 S486 F488 Q492 V493 E494	K481-R490 PolarHBondContact O-NE 2.89Å; L482-R490 HydrophobicContact CB-CG 4.24Å; L482-R490 PolarHBondContact O-NE 3.28Å; L482-R490 PolarHBondContact O-NH2 3.47Å; P483-R490 VanDerWaalsContact CA-NH2 3.34Å; P483-R490 PolarHBondContact O-NH2 2.87Å; L485-R490 HydrophobicContact CB-CG 3.87Å; L485-R490 PolarHBondContact O-NE 3.36Å; L485-R490 VanDerWaalsContact O-NE 3.13Å; L485-R490 PolarHBondContact O-NH2 2.94Å; S486-R490 WeakPolarHBondContact O-CG 3.4Å; S486-R490 PolarHBondContact O-N 3.35Å; F488-R490 VanDerWaalsContact C-N 3.34Å; F488-R490 PolarHBondContact O-N 2.81Å; R490-Q492 VanDerWaalsContact C-N 3.31Å; R490-Q492 PolarHBondContact O-N 3.12Å; R490-V493 PolarHBondContact O-N 3.32Å; R490-E494 WeakPolarHBondContact O-CG 3.43Å; R490-E494 PolarHBondContact O-N 3.45Å
491	Q	96.8	Very high	95.9	Very high	93 Å²	93	59.6 Å²	59.6	44%	0.435	30%	0.299	S	S	.	.	H	α-helix	trans	-63.1	-38.4	176	-172.2	63.2	50.3	0	0	111.9	A487 F488 E489 E494 N495	A487-Q491 PolarHBondContact O-N 3.41Å; A487-Q491 VanDerWaalsContact O-N 3.1Å; F488-Q491 WeakPolarHBondContact O-CB 3.39Å; F488-Q491 PolarHBondContact O-N 3.35Å; F488-Q491 VanDerWaalsContact O-N 3.14Å; E489-Q491 VanDerWaalsContact C-N 3.3Å; E489-Q491 PolarHBondContact O-N 3.21Å; Q491-E494 PolarHBondContact O-N 2.94Å; Q491-N495 PolarHBondContact NE2-OD1 2.75Å; Q491-N495 WeakPolarHBondContact O-CB 3.29Å; Q491-N495 PolarHBondContact O-N 2.99Å; Q491-N495 PolarHBondContact O-OD1 2.76Å
492	Q	97.4	Very high	95.8	Very high	80 Å²	80	55.3 Å²	55.3	37%	0.374	28%	0.28	S	S	.	.	H	α-helix	trans	-63.2	-41.5	175.2	-68.3	-177.6	-51.5	0	0	112	M467 F488 E489 R490 N495 R496	M467-Q492 HydrophobicContact CE-CB 4.04Å; F488-Q492 HydrophobicContact CD1-CG 4.46Å; F488-Q492 HydrophobicContact CE1-CG 4.08Å; F488-Q492 HydrophobicContact CZ-CG 4.17Å; F488-Q492 PolarHBondContact O-N 2.9Å; E489-Q492 WeakPolarHBondContact O-CB 3.36Å; E489-Q492 PolarHBondContact O-N 3.21Å; E489-Q492 VanDerWaalsContact O-N 3.14Å; R490-Q492 VanDerWaalsContact C-N 3.31Å; R490-Q492 PolarHBondContact O-N 3.12Å; Q492-N495 PolarHBondContact O-N 3.17Å; Q492-R496 WeakPolarHBondContact O-CB 3.17Å; Q492-R496 PolarHBondContact O-N 3.27Å
493	V	97.9	Very high	95.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.6	-45	175.6	176.4	0	0	0	0	111	M467 N470 V471 F474 L482 L485 E489 R490 R496 V497	M467-V493 HydrophobicContact SD-CG2 3.99Å; N470-V493 HydrophobicContact CB-CG2 3.61Å; V471-V493 HydrophobicContact CG2-CG1 4.02Å; F474-V493 HydrophobicContact CB-CG1 3.71Å; F474-V493 HydrophobicContact CD2-CG1 4.45Å; F474-V493 HydrophobicContact CG-CG1 4.01Å; L482-V493 HydrophobicContact CD1-CB 4.44Å; L482-V493 HydrophobicContact CD1-CG1 4.1Å; L482-V493 HydrophobicContact CD1-CG2 4.42Å; L485-V493 HydrophobicContact CD1-CG2 4.05Å; E489-V493 WeakPolarHBondContact O-CG2 3.24Å; E489-V493 PolarHBondContact O-N 3.43Å; R490-V493 PolarHBondContact O-N 3.32Å; V493-R496 WeakPolarHBondContact O-CB 3.26Å; V493-R496 PolarHBondContact O-N 2.96Å; V493-V497 WeakPolarHBondContact O-CG2 3.12Å; V493-V497 PolarHBondContact O-N 2.91Å
494	E	97.3	Very high	95.3	Very high	26 Å²	26	53.2 Å²	53.2	12%	0.121	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-46.5	176.6	-72.1	178.1	-154	0	0	112	F474 R490 Q491 R496 V497 V498 L571 K575	F474-E494 HydrophobicContact CE2-CG 4.09Å; F474-E494 HydrophobicContact CZ-CG 4Å; R490-E494 WeakPolarHBondContact O-CG 3.43Å; R490-E494 PolarHBondContact O-N 3.45Å; Q491-E494 PolarHBondContact O-N 2.94Å; E494-R496 PolarHBondContact O-N 3.04Å; E494-V497 PolarHBondContact O-N 3.48Å; E494-V497 VanDerWaalsContact O-N 3.17Å; E494-V498 WeakPolarHBondContact O-CG2 3.25Å; E494-V498 PolarHBondContact O-N 3.39Å; E494-L571 HydrophobicContact CB-CD2 4.26Å; E494-K575 WeakPolarHBondContact OE1-CE 3.43Å; E494-K575 IonicContact OE1-NZ 3.64Å; E494-K575 PolarHBondContact OE1-NZ 3.25Å; E494-K575 IonicContact OE2-NZ 3.52Å; E494-K575 PolarHBondContact OE2-NZ 3.35Å
495	N	96.5	Very high	94.9	Very high	77 Å²	77	51.9 Å²	51.9	41%	0.412	26%	0.262	S	S	.	.	H	α-helix	trans	-58.4	-41.1	175.8	-69.8	-7.6	0	0	0	111	Q491 Q492 V497 V498 E499	Q491-N495 PolarHBondContact NE2-OD1 2.75Å; Q491-N495 WeakPolarHBondContact O-CB 3.29Å; Q491-N495 PolarHBondContact O-N 2.99Å; Q491-N495 PolarHBondContact O-OD1 2.76Å; Q492-N495 PolarHBondContact O-N 3.17Å; N495-V497 PolarHBondContact O-N 3.09Å; N495-V498 PolarHBondContact O-N 3.44Å; N495-E499 WeakPolarHBondContact O-CG 3.24Å; N495-E499 PolarHBondContact O-N 2.96Å
496	R	97.4	Very high	94.4	Very high	95 Å²	95	54.8 Å²	54.8	36%	0.358	28%	0.275	S	S	.	.	H	α-helix	trans	-63	-42.3	177.6	-175	57.6	-177.9	-168.1	0.8	112.2	M467 V471 Q492 V493 E494 V498 E499 E500	M467-R496 HydrophobicContact CG-CG 4.49Å; M467-R496 HydrophobicContact SD-CB 4.43Å; V471-R496 HydrophobicContact CG2-CB 4.06Å; V471-R496 HydrophobicContact CG2-CG 3.83Å; Q492-R496 WeakPolarHBondContact O-CB 3.17Å; Q492-R496 PolarHBondContact O-N 3.27Å; V493-R496 WeakPolarHBondContact O-CB 3.26Å; V493-R496 PolarHBondContact O-N 2.96Å; E494-R496 PolarHBondContact O-N 3.04Å; R496-V498 VanDerWaalsContact C-N 3.3Å; R496-V498 PolarHBondContact O-N 3.35Å; R496-E499 IonicContact NH1-OE2 3.86Å; R496-E499 PolarHBondContact NH1-OE2 3.07Å; R496-E499 PolarHBondContact O-N 2.92Å; R496-E500 HydrophobicContact CG-CG 4.47Å; R496-E500 IonicContact CZ-OE1 3.55Å; R496-E500 VanDerWaalsContact CZ-OE1 3.23Å; R496-E500 IonicContact NE-OE1 3.21Å; R496-E500 PolarHBondContact NE-OE1 2.97Å; R496-E500 IonicContact NH2-OE1 3.9Å; R496-E500 PolarHBondContact NH2-OE1 3.43Å; R496-E500 WeakPolarHBondContact O-CB 3.46Å; R496-E500 VanDerWaalsContact O-CG 3.22Å; R496-E500 WeakPolarHBondContact O-CG 3.39Å; R496-E500 PolarHBondContact O-N 3.19Å
497	V	97.5	Very high	93.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-42	174.9	172.3	0	0	0	0	111.1	V471 F474 L475 V493 E494 N495 E500 A501 L571 L600	V471-V497 HydrophobicContact CG1-CG2 3.76Å; V471-V497 HydrophobicContact CG2-CG2 4.45Å; F474-V497 HydrophobicContact CD1-CG2 3.85Å; F474-V497 HydrophobicContact CE1-CG2 4.24Å; L475-V497 HydrophobicContact CD2-CG1 4.29Å; L475-V497 HydrophobicContact CD2-CG2 4.45Å; V493-V497 WeakPolarHBondContact O-CG2 3.12Å; V493-V497 PolarHBondContact O-N 2.91Å; E494-V497 PolarHBondContact O-N 3.48Å; E494-V497 VanDerWaalsContact O-N 3.17Å; N495-V497 PolarHBondContact O-N 3.09Å; V497-E500 PolarHBondContact O-N 3.21Å; V497-A501 VanDerWaalsContact O-CB 3.3Å; V497-A501 WeakPolarHBondContact O-CB 3.3Å; V497-A501 PolarHBondContact O-N 2.98Å; V497-L571 HydrophobicContact CG1-CD1 4.33Å; V497-L600 HydrophobicContact CG1-CD2 3.6Å
498	V	95.9	Very high	92.4	Very high	13 Å²	13	56.1 Å²	56.1	8%	0.079	26%	0.264	C	S	.	.	H	α-helix	trans	-64.4	-44.6	177.5	173.9	0	0	0	0	111.5	E494 N495 R496 A501 K502 I567 L571	E494-V498 WeakPolarHBondContact O-CG2 3.25Å; E494-V498 PolarHBondContact O-N 3.39Å; N495-V498 PolarHBondContact O-N 3.44Å; R496-V498 VanDerWaalsContact C-N 3.3Å; R496-V498 PolarHBondContact O-N 3.35Å; V498-A501 PolarHBondContact O-N 3.38Å; V498-K502 HydrophobicContact CG1-CD 4.12Å; V498-K502 VanDerWaalsContact CG1-CE 3.49Å; V498-K502 HydrophobicContact CG1-CG 4.49Å; V498-K502 VanDerWaalsContact O-CG 3.31Å; V498-K502 WeakPolarHBondContact O-CG 3.4Å; V498-K502 PolarHBondContact O-N 3.25Å; V498-I567 HydrophobicContact CB-CG2 4.32Å; V498-I567 HydrophobicContact CG1-CG2 4.13Å; V498-I567 HydrophobicContact CG2-CG2 4.11Å; V498-L571 HydrophobicContact CG2-CD2 3.71Å
499	E	94.6	Very high	91	Very high	102 Å²	102	52.5 Å²	52.5	48%	0.477	25%	0.248	S	C	.	.	H	α-helix	trans	-59.2	-45.7	176.2	-73.6	169.4	-173.6	0	0	111.8	N495 R496 K502 S503	N495-E499 WeakPolarHBondContact O-CG 3.24Å; N495-E499 PolarHBondContact O-N 2.96Å; R496-E499 IonicContact NH1-OE2 3.86Å; R496-E499 PolarHBondContact NH1-OE2 3.07Å; R496-E499 PolarHBondContact O-N 2.92Å; E499-K502 PolarHBondContact O-N 3.46Å; E499-S503 PolarHBondContact O-N 3.2Å
500	E	94.3	Very high	89.4	Confident	9 Å²	9	55.2 Å²	55.2	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-43.6	178.3	-69.2	-70.1	174.8	0	0	111.7	R496 V497 S503 L504 V603 K606 Y607	R496-E500 HydrophobicContact CG-CG 4.47Å; R496-E500 IonicContact CZ-OE1 3.55Å; R496-E500 VanDerWaalsContact CZ-OE1 3.23Å; R496-E500 IonicContact NE-OE1 3.21Å; R496-E500 PolarHBondContact NE-OE1 2.97Å; R496-E500 IonicContact NH2-OE1 3.9Å; R496-E500 PolarHBondContact NH2-OE1 3.43Å; R496-E500 WeakPolarHBondContact O-CB 3.46Å; R496-E500 VanDerWaalsContact O-CG 3.22Å; R496-E500 WeakPolarHBondContact O-CG 3.39Å; R496-E500 PolarHBondContact O-N 3.19Å; V497-E500 PolarHBondContact O-N 3.21Å; E500-S503 PolarHBondContact O-N 3.23Å; E500-L504 WeakPolarHBondContact O-CG 3.43Å; E500-L504 PolarHBondContact O-N 2.85Å; E500-L504 VanDerWaalsContact O-N 3.09Å; E500-V603 HydrophobicContact CB-CG1 4.03Å; E500-V603 HydrophobicContact CB-CG2 4.44Å; E500-K606 IonicContact OE1-NZ 3.24Å; E500-K606 IonicContact OE2-NZ 2.63Å; E500-K606 PolarHBondContact OE2-NZ 3.35Å; E500-Y607 HydrophobicContact CG-CE2 4.1Å
501	A	94.3	Very high	87.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.8	-44.2	175.9	0	0	0	0	0	112.1	V497 V498 L504 L505 I567 V599 V603	V497-A501 VanDerWaalsContact O-CB 3.3Å; V497-A501 WeakPolarHBondContact O-CB 3.3Å; V497-A501 PolarHBondContact O-N 2.98Å; V498-A501 PolarHBondContact O-N 3.38Å; A501-L504 PolarHBondContact O-N 2.87Å; A501-L505 PolarHBondContact O-N 3.33Å; A501-I567 HydrophobicContact CB-CD1 3.72Å; A501-I567 HydrophobicContact CB-CG1 4Å; A501-I567 HydrophobicContact CB-CG2 3.71Å; A501-V599 HydrophobicContact CB-CG1 3.7Å; A501-V603 HydrophobicContact CB-CG2 3.88Å
502	K	91.9	Very high	85.7	Confident	57 Å²	57	55.3 Å²	55.3	25%	0.248	27%	0.273	C	S	.	.	H	α-helix	trans	-60.8	-48.7	176.1	-74.8	172.1	-178.1	168.2	0	111.6	V498 E499 L504 L505 E506 H564 I567	V498-K502 HydrophobicContact CG1-CD 4.12Å; V498-K502 VanDerWaalsContact CG1-CE 3.49Å; V498-K502 HydrophobicContact CG1-CG 4.49Å; V498-K502 VanDerWaalsContact O-CG 3.31Å; V498-K502 WeakPolarHBondContact O-CG 3.4Å; V498-K502 PolarHBondContact O-N 3.25Å; E499-K502 PolarHBondContact O-N 3.46Å; K502-L504 PolarHBondContact O-N 3.31Å; K502-L505 PolarHBondContact O-N 2.9Å; K502-L505 VanDerWaalsContact O-N 3.07Å; K502-E506 PolarHBondContact O-N 3.08Å; K502-H564 WeakPolarHBondContact CE-CD2 3.26Å; K502-H564 PolarHBondContact NZ-CD2 2.75Å; K502-H564 PolarHBondContact NZ-NE2 2.73Å; K502-I567 HydrophobicContact CB-CD1 4.3Å; K502-I567 HydrophobicContact CG-CD1 3.59Å
503	S	90.6	Very high	83.4	Confident	41 Å²	41	57.1 Å²	57.1	29%	0.287	28%	0.28	S	S	.	.	H	α-helix	trans	-59.3	-34.2	179.2	-174.7	0	0	0	0	112.5	E499 E500 K507	E499-S503 PolarHBondContact O-N 3.2Å; E500-S503 PolarHBondContact O-N 3.23Å; S503-K507 WeakPolarHBondContact O-CG 3.4Å; S503-K507 PolarHBondContact O-N 2.97Å
504	L	87.9	Confident	80.8	Confident	17 Å²	17	65.7 Å²	65.7	9%	0.089	31%	0.313	C	S	.	.	H	α-helix	trans	-69.2	-38.9	175.6	-70.4	170.2	0	0	0	112.6	W193 E500 A501 K502 V508 K602 V603	W193-L504 HydrophobicContact CZ2-CD2 4.06Å; E500-L504 WeakPolarHBondContact O-CG 3.43Å; E500-L504 PolarHBondContact O-N 2.85Å; E500-L504 VanDerWaalsContact O-N 3.09Å; A501-L504 PolarHBondContact O-N 2.87Å; K502-L504 PolarHBondContact O-N 3.31Å; L504-V508 WeakPolarHBondContact O-CG2 3.05Å; L504-V508 PolarHBondContact O-N 3.09Å; L504-K602 HydrophobicContact CD1-CB 3.88Å; L504-V603 HydrophobicContact CD1-CB 4.45Å; L504-V603 HydrophobicContact CD1-CG2 3.78Å
505	L	84.9	Confident	77.9	Confident	22 Å²	22	69 Å²	69	12%	0.115	34%	0.335	C	S	.	.	H	α-helix	trans	-67.5	-40.4	176.5	-68.6	-179.9	0	0	0	111.9	A501 K502 K507 V508 K509 W563 I567 V599	A501-L505 PolarHBondContact O-N 3.33Å; K502-L505 PolarHBondContact O-N 2.9Å; K502-L505 VanDerWaalsContact O-N 3.07Å; L505-K507 PolarHBondContact O-N 3.41Å; L505-V508 PolarHBondContact O-N 3.16Å; L505-K509 PolarHBondContact O-N 2.88Å; L505-K509 VanDerWaalsContact O-N 3.09Å; L505-W563 HydrophobicContact CB-CD2 4.08Å; L505-W563 HydrophobicContact CB-CE3 3.91Å; L505-W563 HydrophobicContact CB-CH2 4.43Å; L505-W563 HydrophobicContact CB-CZ3 4.1Å; L505-W563 HydrophobicContact CD1-CB 3.82Å; L505-W563 HydrophobicContact CD1-CD2 4.1Å; L505-W563 HydrophobicContact CD1-CG 3.78Å; L505-I567 HydrophobicContact CD1-CD1 3.76Å; L505-I567 HydrophobicContact CD1-CG1 4.15Å; L505-V599 HydrophobicContact CD1-CG2 4.25Å; L505-V599 HydrophobicContact CD2-CG1 4.4Å; L505-V599 HydrophobicContact CD2-CG2 4.01Å; L505-V599 HydrophobicContact CG-CG1 4.25Å; L505-V599 HydrophobicContact CG-CG2 4.4Å
506	E	83.8	Confident	75	Confident	78 Å²	78	71.1 Å²	71.1	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-59	-45.9	176.1	-72.7	175.1	163.5	0	0	111.8	K502 V508 K509 E510 Q560 W563	K502-E506 PolarHBondContact O-N 3.08Å; E506-V508 VanDerWaalsContact C-N 3.33Å; E506-V508 PolarHBondContact O-N 3.38Å; E506-K509 WeakPolarHBondContact O-CB 3.31Å; E506-K509 PolarHBondContact O-N 3.03Å; E506-E510 PolarHBondContact O-N 3.01Å; E506-Q560 PolarHBondContact OE1-NE2 3.5Å; E506-Q560 VanDerWaalsContact OE1-NE2 3.12Å; E506-W563 HydrophobicContact CG-CE3 4.49Å; E506-W563 HydrophobicContact CG-CZ3 3.79Å
507	K	78.1	Confident	71.9	Confident	93 Å²	93	73.4 Å²	73.4	40%	0.404	36%	0.357	S	S	.	.	H	α-helix	trans	-63.2	-35.5	177.2	-74	178.3	179.5	-177.2	0	113.5	S503 L505 K509 N511	S503-K507 WeakPolarHBondContact O-CG 3.4Å; S503-K507 PolarHBondContact O-N 2.97Å; L505-K507 PolarHBondContact O-N 3.41Å; K507-K509 VanDerWaalsContact C-N 3.34Å; K507-N511 PolarHBondContact O-N 3.44Å; K507-N511 VanDerWaalsContact O-N 3.12Å
508	V	72.4	Confident	68.7	Low	73 Å²	73	81.8 Å²	81.8	44%	0.442	39%	0.393	S	S	.	.	H	α-helix	trans	-66.4	-40.2	175.9	172.1	0	0	0	0	110.4	L504 L505 E506 N511 T512	L504-V508 WeakPolarHBondContact O-CG2 3.05Å; L504-V508 PolarHBondContact O-N 3.09Å; L505-V508 PolarHBondContact O-N 3.16Å; E506-V508 VanDerWaalsContact C-N 3.33Å; E506-V508 PolarHBondContact O-N 3.38Å; V508-N511 PolarHBondContact O-N 3.17Å; V508-T512 WeakPolarHBondContact O-CB 3.45Å; V508-T512 PolarHBondContact O-N 2.81Å; V508-T512 PolarHBondContact O-OG1 3.05Å
509	K	68.1	Low	65.6	Low	64 Å²	64	89.6 Å²	89.6	28%	0.278	43%	0.426	S	S	.	.	H	α-helix	trans	-63.1	-49.1	176.5	-174.9	171	177.4	176.7	0	111.2	L505 E506 K507 N511 T512 F513 D559 W563	L505-K509 PolarHBondContact O-N 2.88Å; L505-K509 VanDerWaalsContact O-N 3.09Å; E506-K509 WeakPolarHBondContact O-CB 3.31Å; E506-K509 PolarHBondContact O-N 3.03Å; K507-K509 VanDerWaalsContact C-N 3.34Å; K509-N511 VanDerWaalsContact C-N 3.34Å; K509-N511 PolarHBondContact O-N 2.86Å; K509-T512 PolarHBondContact O-N 3.44Å; K509-T512 VanDerWaalsContact O-N 3.12Å; K509-F513 HydrophobicContact CD-CE2 4.06Å; K509-F513 HydrophobicContact CG-CD2 3.79Å; K509-F513 HydrophobicContact CG-CE2 3.42Å; K509-F513 VanDerWaalsContact CG-CE2 3.42Å; K509-F513 WeakPolarHBondContact O-CD2 3.31Å; K509-F513 PolarHBondContact O-N 3.29Å; K509-D559 IonicContact NZ-OD2 3.17Å; K509-D559 PolarHBondContact NZ-OD2 2.91Å; K509-W563 HydrophobicContact CB-CH2 3.73Å; K509-W563 HydrophobicContact CB-CZ2 4.29Å; K509-W563 HydrophobicContact CD-CH2 3.36Å; K509-W563 HydrophobicContact CD-CZ2 3.77Å; K509-W563 HydrophobicContact CD-CZ3 4.43Å; K509-W563 HydrophobicContact CG-CH2 4.13Å
510	E	62.8	Low	62.6	Low	132 Å²	132	93.4 Å²	93.4	62%	0.617	44%	0.442	S	S	*	.	H	α-helix	trans	-59	-40.9	177.7	-72	-177.5	172	0	0	113.3	E506 T512 R514	E506-E510 PolarHBondContact O-N 3.01Å; E510-T512 VanDerWaalsContact C-N 3.34Å; E510-R514 PolarHBondContact O-N 3.29Å; E510-R514 VanDerWaalsContact O-N 3.14Å
511	N	59.8	Low	59.4	Low	110 Å²	110	99 Å²	99	59%	0.588	48%	0.477	S	S	*	.	H	α-helix	trans	-69.1	-31.3	176.5	-81.9	-7	0	0	0	113.3	K507 V508 K509 T515	K507-N511 PolarHBondContact O-N 3.44Å; K507-N511 VanDerWaalsContact O-N 3.12Å; V508-N511 PolarHBondContact O-N 3.17Å; K509-N511 VanDerWaalsContact C-N 3.34Å; K509-N511 PolarHBondContact O-N 2.86Å; N511-T515 PolarHBondContact O-N 3.01Å; N511-T515 PolarHBondContact O-OG1 3.47Å
512	T	55.8	Low	56.5	Low	72 Å²	72	105.4 Å²	105.4	44%	0.442	52%	0.515	S	S	.	.	H	α-helix	trans	-68.5	-47	176.4	-52.7	0	0	0	0	110.2	V508 K509 E510 R514 T515 E516	V508-T512 WeakPolarHBondContact O-CB 3.45Å; V508-T512 PolarHBondContact O-N 2.81Å; V508-T512 PolarHBondContact O-OG1 3.05Å; K509-T512 PolarHBondContact O-N 3.44Å; K509-T512 VanDerWaalsContact O-N 3.12Å; E510-T512 VanDerWaalsContact C-N 3.34Å; T512-R514 PolarHBondContact O-N 3.42Å; T512-T515 PolarHBondContact O-N 3.35Å; T512-T515 VanDerWaalsContact O-N 3.15Å; T512-E516 PolarHBondContact O-N 3.38Å
513	F	49.7	Very low	53.5	Low	118 Å²	118	108.1 Å²	108.1	52%	0.518	54%	0.542	S	S	.	.	H	α-helix	trans	-61.4	-39	176.1	-78	-70.8	0	0	0	113.2	K509 T515 E516 E517	K509-F513 HydrophobicContact CD-CE2 4.06Å; K509-F513 HydrophobicContact CG-CD2 3.79Å; K509-F513 HydrophobicContact CG-CE2 3.42Å; K509-F513 VanDerWaalsContact CG-CE2 3.42Å; K509-F513 WeakPolarHBondContact O-CD2 3.31Å; K509-F513 PolarHBondContact O-N 3.29Å; F513-T515 VanDerWaalsContact C-N 3.27Å; F513-T515 PolarHBondContact O-N 3.05Å; F513-E516 PolarHBondContact O-N 3Å; F513-E517 PolarHBondContact O-N 3.03Å
514	R	43.6	Very low	50.9	Low	181 Å²	181	114.8 Å²	114.8	68%	0.683	57%	0.568	S	S	*	*	H	α-helix	trans	-69.6	-21	177.2	-75.4	-157.7	172.9	-99.5	-0.1	114.6	E510 T512	E510-R514 PolarHBondContact O-N 3.29Å; E510-R514 VanDerWaalsContact O-N 3.14Å; T512-R514 PolarHBondContact O-N 3.42Å
515	T	37.3	Very low	48.2	Very low	95 Å²	95	122.5 Å²	122.5	58%	0.583	60%	0.604	S	S	*	*	H	α-helix	trans	-82.1	-33.9	177.4	-54.6	0	0	0	0	111	N511 T512 F513	N511-T515 PolarHBondContact O-N 3.01Å; N511-T515 PolarHBondContact O-OG1 3.47Å; T512-T515 PolarHBondContact O-N 3.35Å; T512-T515 VanDerWaalsContact O-N 3.15Å; F513-T515 VanDerWaalsContact C-N 3.27Å; F513-T515 PolarHBondContact O-N 3.05Å
516	E	35.3	Very low	45.8	Very low	121 Å²	121	126.5 Å²	126.5	57%	0.565	63%	0.631	S	S	*	*	H	α-helix	trans	-71.9	-34.9	176.3	-68.9	-177.6	166.9	0	0	112.9	T512 F513 K518 F519	T512-E516 PolarHBondContact O-N 3.38Å; F513-E516 PolarHBondContact O-N 3Å; E516-K518 PolarHBondContact O-N 3.31Å; E516-F519 PolarHBondContact O-N 3.36Å
517	E	32.4	Very low	43.6	Very low	144 Å²	144	129 Å²	129	67%	0.673	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-64.8	-22.6	176.8	-76.5	-174	160	0	0	114	F513 F519	F513-E517 PolarHBondContact O-N 3.03Å; E517-F519 VanDerWaalsContact C-N 3.26Å; E517-F519 PolarHBondContact O-N 3.01Å
518	K	29.5	Very low	41.4	Very low	176 Å²	176	131.6 Å²	131.6	77%	0.765	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-76.9	-6.2	178.2	-78.8	-176.8	178.3	176.3	0	114.4	E516	E516-K518 PolarHBondContact O-N 3.31Å
519	F	30.8	Very low	39.6	Very low	176 Å²	176	137 Å²	137	77%	0.772	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-96.4	1.3	178.8	-91	-83.4	0	0	0	115.4	E516 E517	E516-F519 PolarHBondContact O-N 3.36Å; E517-F519 VanDerWaalsContact C-N 3.26Å; E517-F519 PolarHBondContact O-N 3.01Å
520	F	31.7	Very low	37.9	Very low	182 Å²	182	143.2 Å²	143.2	80%	0.798	72%	0.722	S	S	*	*			trans	-107.4	70.8	171.7	-72.7	-82.9	0	0	0	111.5
521	T	26.8	Very low	36.3	Very low	128 Å²	128	144 Å²	144	79%	0.785	73%	0.729	S	S	*	*			trans	-86.5	114.9	155.6	42.1	0	0	0	0	108.1	S523	T521-S523 PolarHBondContact O-N 3.18Å; T521-S523 VanDerWaalsContact O-N 3.13Å
522	V	33.8	Very low	35.3	Very low	133 Å²	133	146.4 Å²	146.4	81%	0.806	74%	0.74	S	S	*	*			trans	-60.8	110.4	172.9	177	0	0	0	0	108	E524	V522-E524 HydrophobicContact CG1-CG 4.43Å
523	S	28.2	Very low	34.3	Very low	114 Å²	114	150.1 Å²	150.1	80%	0.797	76%	0.756	S	S	*	*			trans	-90.2	104.8	166.7	-170.5	0	0	0	0	107.8	T521	T521-S523 PolarHBondContact O-N 3.18Å; T521-S523 VanDerWaalsContact O-N 3.13Å
524	E	36.6	Very low	33.8	Very low	181 Å²	181	149.5 Å²	149.5	85%	0.846	77%	0.766	S	S	*	*			trans	-77.9	107.8	163.1	-78.5	-173.8	146.1	0	0	108.7	V522	V522-E524 HydrophobicContact CG1-CG 4.43Å
525	E	31.1	Very low	33.6	Very low	179 Å²	179	146 Å²	146	84%	0.836	77%	0.769	S	S	*	*			trans	-151.7	151.7	152	-107	-171.9	-176.2	0	0	110.7
526	P	35	Very low	34.1	Very low	106 Å²	106	147.5 Å²	147.5	69%	0.688	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-83.9	165.3	-156.4	34.9	-36	0	0	0	114	V528	P526-V528 PolarHBondContact O-N 3.2Å
527	P	36.9	Very low	34.7	Very low	130 Å²	130	145.6 Å²	145.6	84%	0.844	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-82.7	122.1	-166.9	32.3	-32.2	0	0	0	112.2
528	V	32.4	Very low	35.7	Very low	148 Å²	148	142.7 Å²	142.7	90%	0.897	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-102.5	131.9	162.5	-176.7	0	0	0	0	109.5	P526	P526-V528 PolarHBondContact O-N 3.2Å
529	K	34.9	Very low	36.9	Very low	186 Å²	186	138.9 Å²	138.9	81%	0.809	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-75	147.4	-170.4	-77.5	176.6	174.1	171.9	0	114.5
530	K	32.2	Very low	38.2	Very low	196 Å²	196	134.8 Å²	134.8	85%	0.852	75%	0.753	S	S	*	*			trans	80	134.9	158.7	-65.2	171.7	179.4	-176.1	0	114.7
531	I	29.5	Very low	39.8	Very low	148 Å²	148	127.8 Å²	127.8	76%	0.759	73%	0.727	S	S	*	*			cis	-146.5	137	46.1	-69.1	166	0	0	0	110.6	I533	I531-I533 HydrophobicContact CG2-CG1 4.37Å; I531-I533 PolarHBondContact O-N 2.91Å
532	I	38.8	Very low	41.9	Very low	160 Å²	160	124.8 Å²	124.8	82%	0.821	71%	0.708	S	S	*	*			trans	-75.5	116.5	170.8	-63.7	166.7	0	0	0	108.5
533	I	33.7	Very low	43.9	Very low	151 Å²	151	123 Å²	123	77%	0.774	69%	0.693	S	S	*	*			trans	-115.8	106.3	154.1	-61.8	175.8	0	0	0	105.5	I531 S535	I531-I533 HydrophobicContact CG2-CG1 4.37Å; I531-I533 PolarHBondContact O-N 2.91Å; I533-S535 PolarHBondContact O-N 3.32Å
534	S	40.1	Very low	46	Very low	105 Å²	105	122 Å²	122	73%	0.734	68%	0.679	S	S	*	*			trans	-73.3	103.9	175.4	56	0	0	0	0	109.7
535	S	39.3	Very low	47.5	Very low	106 Å²	106	118.8 Å²	118.8	74%	0.741	67%	0.667	S	S	*	*			trans	-106.1	99.8	153	58.6	0	0	0	0	107.5	I533	I533-S535 PolarHBondContact O-N 3.32Å
536	T	46.3	Very low	49.6	Very low	127 Å²	127	115.3 Å²	115.3	78%	0.779	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-56.1	126.9	165.3	38.4	0	0	0	0	108.8
537	P	48	Very low	51.5	Low	82 Å²	82	113.7 Å²	113.7	53%	0.532	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-56.8	146.7	170	-18.3	29.6	0	0	0	109.6	S541	P537-S541 WeakPolarHBondContact CB-OG 3.33Å
538	P	53.7	Low	53	Low	83 Å²	83	109.5 Å²	109.5	54%	0.539	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-57.2	142.4	174.6	23.4	-31.3	0	0	0	109.8	T540 S541	P538-T540 PolarHBondContact O-N 3.38Å; P538-S541 WeakPolarHBondContact O-CB 3.31Å; P538-S541 PolarHBondContact O-N 3.29Å; P538-S541 PolarHBondContact O-OG 2.87Å
539	P	56.1	Low	54.6	Low	95 Å²	95	110 Å²	110	62%	0.617	61%	0.606	S	S	*	*	H	α-helix	trans	-57.1	-25.4	-175.8	20	-31.1	0	0	0	113.1	S541 V542 I543	P539-S541 VanDerWaalsContact C-N 3.28Å; P539-S541 PolarHBondContact O-N 3.1Å; P539-V542 PolarHBondContact O-N 3.49Å; P539-I543 WeakPolarHBondContact O-CG1 3.31Å; P539-I543 PolarHBondContact O-N 2.92Å
540	T	56.9	Low	56.4	Low	90 Å²	90	106.1 Å²	106.1	55%	0.552	59%	0.594	S	S	*	*	H	α-helix	trans	-59.5	-34.4	173	-22.1	0	0	0	0	112.9	P538 N544	P538-T540 PolarHBondContact O-N 3.38Å; T540-N544 WeakPolarHBondContact O-CB 3.39Å; T540-N544 PolarHBondContact O-N 2.9Å; T540-N544 PolarHBondContact O-ND2 3.1Å; T540-N544 PolarHBondContact O-OD1 3.17Å
541	S	65.2	Low	58	Low	36 Å²	36	104.3 Å²	104.3	25%	0.252	59%	0.586	S	S	.	*	H	α-helix	trans	-73.5	-35.5	179.5	66.1	0	0	0	0	112.8	P537 P538 P539 N545	P537-S541 WeakPolarHBondContact CB-OG 3.33Å; P538-S541 WeakPolarHBondContact O-CB 3.31Å; P538-S541 PolarHBondContact O-N 3.29Å; P538-S541 PolarHBondContact O-OG 2.87Å; P539-S541 VanDerWaalsContact C-N 3.28Å; P539-S541 PolarHBondContact O-N 3.1Å; S541-N545 WeakPolarHBondContact O-CB 3.44Å; S541-N545 PolarHBondContact O-N 2.74Å; S541-N545 PolarHBondContact O-ND2 3.12Å; S541-N545 PolarHBondContact O-OD1 3.07Å
542	V	71.3	Confident	59.5	Low	65 Å²	65	101 Å²	101	39%	0.394	58%	0.575	S	S	.	*	H	α-helix	trans	-74.4	-42.4	178	-179.7	0	0	0	0	110.4	P539 N545 M546	P539-V542 PolarHBondContact O-N 3.49Å; V542-N545 PolarHBondContact O-N 3.12Å; V542-M546 HydrophobicContact CG1-CE 3.73Å; V542-M546 HydrophobicContact CG1-SD 4.2Å; V542-M546 WeakPolarHBondContact O-CG 3.29Å; V542-M546 PolarHBondContact O-N 2.87Å
543	I	75.4	Confident	60.4	Low	96 Å²	96	99.7 Å²	99.7	49%	0.492	57%	0.565	S	S	.	*	H	α-helix	trans	-63.7	-43.3	174.4	-66.3	169.7	0	0	0	110.1	P539 N545 M546 L547	P539-I543 WeakPolarHBondContact O-CG1 3.31Å; P539-I543 PolarHBondContact O-N 2.92Å; I543-N545 VanDerWaalsContact C-N 3.31Å; I543-N545 PolarHBondContact O-N 2.98Å; I543-M546 PolarHBondContact O-N 3.06Å; I543-L547 HydrophobicContact CG2-CD1 3.72Å; I543-L547 HydrophobicContact CG2-CG 4.05Å; I543-L547 VanDerWaalsContact O-CB 3.3Å; I543-L547 WeakPolarHBondContact O-CB 3.4Å; I543-L547 WeakPolarHBondContact O-CG 3.16Å; I543-L547 PolarHBondContact O-N 3.38Å
544	N	72.9	Confident	61.5	Low	92 Å²	92	98.9 Å²	98.9	49%	0.492	57%	0.568	S	S	.	*	H	α-helix	trans	-62.9	-36.9	176.2	-74.1	-7.8	0	0	0	112.4	T540 A548	T540-N544 WeakPolarHBondContact O-CB 3.39Å; T540-N544 PolarHBondContact O-N 2.9Å; T540-N544 PolarHBondContact O-ND2 3.1Å; T540-N544 PolarHBondContact O-OD1 3.17Å; N544-A548 VanDerWaalsContact O-CB 3.27Å; N544-A548 WeakPolarHBondContact O-CB 3.45Å; N544-A548 PolarHBondContact O-N 3.31Å
545	N	67.9	Low	61.9	Low	113 Å²	113	97 Å²	97	60%	0.604	57%	0.565	S	S	*	*	H	α-helix	trans	-68.8	-41.7	175.3	-69.8	-8.8	0	0	0	111.9	S541 V542 I543 A548 E549	S541-N545 WeakPolarHBondContact O-CB 3.44Å; S541-N545 PolarHBondContact O-N 2.74Å; S541-N545 PolarHBondContact O-ND2 3.12Å; S541-N545 PolarHBondContact O-OD1 3.07Å; V542-N545 PolarHBondContact O-N 3.12Å; I543-N545 VanDerWaalsContact C-N 3.31Å; I543-N545 PolarHBondContact O-N 2.98Å; N545-A548 PolarHBondContact O-N 3.27Å; N545-E549 WeakPolarHBondContact O-CB 3.29Å; N545-E549 PolarHBondContact O-N 2.99Å
546	M	75.1	Confident	63	Low	106 Å²	106	94 Å²	94	52%	0.522	55%	0.55	S	S	.	*	H	α-helix	trans	-66.8	-39.2	174.8	-70.5	175.2	176.5	0	0	111.9	V542 I543 E549 I550	V542-M546 HydrophobicContact CG1-CE 3.73Å; V542-M546 HydrophobicContact CG1-SD 4.2Å; V542-M546 WeakPolarHBondContact O-CG 3.29Å; V542-M546 PolarHBondContact O-N 2.87Å; I543-M546 PolarHBondContact O-N 3.06Å; M546-E549 PolarHBondContact O-N 3.21Å; M546-I550 WeakPolarHBondContact O-CB 3.37Å; M546-I550 WeakPolarHBondContact O-CD1 3.37Å; M546-I550 WeakPolarHBondContact O-CG1 3.43Å; M546-I550 PolarHBondContact O-N 3.06Å
547	L	74.4	Confident	63.2	Low	73 Å²	73	92.9 Å²	92.9	38%	0.382	54%	0.543	S	S	.	.	H	α-helix	trans	-65.1	-40.3	173.2	-72	174.2	0	0	0	110.7	I543 E549 I550 F551	I543-L547 HydrophobicContact CG2-CD1 3.72Å; I543-L547 HydrophobicContact CG2-CG 4.05Å; I543-L547 VanDerWaalsContact O-CB 3.3Å; I543-L547 WeakPolarHBondContact O-CB 3.4Å; I543-L547 WeakPolarHBondContact O-CG 3.16Å; I543-L547 PolarHBondContact O-N 3.38Å; L547-E549 VanDerWaalsContact C-N 3.31Å; L547-E549 PolarHBondContact O-N 2.94Å; L547-I550 PolarHBondContact O-N 3.04Å; L547-F551 HydrophobicContact CB-CD2 4.28Å; L547-F551 HydrophobicContact CD2-CD2 3.8Å; L547-F551 HydrophobicContact CD2-CE2 3.5Å; L547-F551 VanDerWaalsContact CD2-CE2 3.5Å; L547-F551 VanDerWaalsContact O-CB 3.28Å; L547-F551 WeakPolarHBondContact O-CB 3.4Å; L547-F551 WeakPolarHBondContact O-CD2 3.46Å; L547-F551 PolarHBondContact O-N 2.87Å
548	A	68.7	Low	63.6	Low	42 Å²	42	94.8 Å²	94.8	35%	0.347	55%	0.545	S	S	.	.	H	α-helix	trans	-63.2	-38.6	173.4	0	0	0	0	0	111.4	N544 N545 I550 C552	N544-A548 VanDerWaalsContact O-CB 3.27Å; N544-A548 WeakPolarHBondContact O-CB 3.45Å; N544-A548 PolarHBondContact O-N 3.31Å; N545-A548 PolarHBondContact O-N 3.27Å; A548-I550 VanDerWaalsContact C-N 3.33Å; A548-I550 PolarHBondContact O-N 3.38Å; A548-C552 CarbonylContact O-C 3.58Å; A548-C552 WeakPolarHBondContact O-CA 3.47Å; A548-C552 WeakPolarHBondContact O-CB 3.26Å; A548-C552 PolarHBondContact O-N 2.82Å
549	E	67.1	Low	64.1	Low	157 Å²	157	92.3 Å²	92.3	73%	0.734	53%	0.527	S	S	*	.	H	α-helix	trans	-69.4	-30.4	177.1	-147.6	171.2	-162.2	0	0	112.7	N545 M546 L547	N545-E549 WeakPolarHBondContact O-CB 3.29Å; N545-E549 PolarHBondContact O-N 2.99Å; M546-E549 PolarHBondContact O-N 3.21Å; L547-E549 VanDerWaalsContact C-N 3.31Å; L547-E549 PolarHBondContact O-N 2.94Å
550	I	71.2	Confident	64.8	Low	106 Å²	106	93 Å²	93	54%	0.544	52%	0.522	S	S	.	.	H	α-helix	trans	-84.4	-42.2	178.8	-66.8	163.8	0	0	0	112.3	M546 L547 A548	M546-I550 WeakPolarHBondContact O-CB 3.37Å; M546-I550 WeakPolarHBondContact O-CD1 3.37Å; M546-I550 WeakPolarHBondContact O-CG1 3.43Å; M546-I550 PolarHBondContact O-N 3.06Å; L547-I550 PolarHBondContact O-N 3.04Å; A548-I550 VanDerWaalsContact C-N 3.33Å; A548-I550 PolarHBondContact O-N 3.38Å
551	F	67.4	Low	65.8	Low	158 Å²	158	95.3 Å²	95.3	69%	0.693	53%	0.527	S	S	*	.	H	α-helix	trans	-107	-14.8	-170.2	-67.4	-82.6	0	0	0	114.1	L547	L547-F551 HydrophobicContact CB-CD2 4.28Å; L547-F551 HydrophobicContact CD2-CD2 3.8Å; L547-F551 HydrophobicContact CD2-CE2 3.5Å; L547-F551 VanDerWaalsContact CD2-CE2 3.5Å; L547-F551 VanDerWaalsContact O-CB 3.28Å; L547-F551 WeakPolarHBondContact O-CB 3.4Å; L547-F551 WeakPolarHBondContact O-CD2 3.46Å; L547-F551 PolarHBondContact O-N 2.87Å
552	C	61.1	Low	66.5	Low	77 Å²	77	99.8 Å²	99.8	52%	0.52	54%	0.544	S	S	.	.			trans	-116.3	57.8	175.9	-49.9	0	0	0	0	109.8	A548 T554	A548-C552 CarbonylContact O-C 3.58Å; A548-C552 WeakPolarHBondContact O-CA 3.47Å; A548-C552 WeakPolarHBondContact O-CB 3.26Å; A548-C552 PolarHBondContact O-N 2.82Å; C552-T554 PolarHBondContact O-N 3.21Å
553	Q	57.1	Low	67	Low	134 Å²	134	99 Å²	99	63%	0.626	53%	0.534	S	S	*	.			trans	-60.7	105.9	172.1	-68.2	-174.7	13.1	0	0	108.6
554	T	56.9	Low	67.5	Low	134 Å²	134	98.3 Å²	98.3	82%	0.822	53%	0.528	S	S	*	.			trans	-99.3	98.3	-178.6	28.6	0	0	0	0	108.3	C552	C552-T554 PolarHBondContact O-N 3.21Å
555	G	48.8	Very low	68.3	Low	66 Å²	66	96.7 Å²	96.7	68%	0.68	53%	0.527	S	S	*	.	S	Bend	trans	162.7	87.4	171.1	0	0	0	0	0	117.1
556	G	61.2	Low	69.3	Low	42 Å²	42	95 Å²	95	43%	0.433	52%	0.516	S	S	.	.	S	Bend	trans	87.7	143.5	153	0	0	0	0	0	117.1	E558	G556-E558 PolarHBondContact O-N 3.44Å
557	V	51.9	Low	70.2	Confident	104 Å²	104	90 Å²	90	63%	0.63	49%	0.491	S	S	*	.	S	Bend	trans	57.5	-49.7	-172.4	-167.2	0	0	0	0	115.1	D559 Q560 E561	V557-D559 PolarHBondContact O-N 3.03Å; V557-Q560 PolarHBondContact O-N 3.44Å; V557-Q560 VanDerWaalsContact O-N 3.15Å; V557-E561 PolarHBondContact O-N 2.88Å
558	E	54.5	Low	71.1	Confident	122 Å²	122	89.6 Å²	89.6	57%	0.57	49%	0.492	S	S	*	.	H	α-helix	trans	-62.3	-39.6	179.3	-66	-176.7	167.5	0	0	112	G556 Q560 E561 E562	G556-E558 PolarHBondContact O-N 3.44Å; E558-Q560 VanDerWaalsContact C-N 3.31Å; E558-Q560 PolarHBondContact O-N 3.41Å; E558-E561 PolarHBondContact O-N 3.14Å; E558-E562 WeakPolarHBondContact O-CB 3.41Å; E558-E562 PolarHBondContact O-N 3.05Å
559	D	65.4	Low	72.3	Confident	30 Å²	30	94.5 Å²	94.5	16%	0.16	51%	0.508	C	S	.	.	H	α-helix	trans	-62.1	-34.4	175.1	-63.2	-26.4	0	0	0	113.1	K509 V557 W563	K509-D559 IonicContact NZ-OD2 3.17Å; K509-D559 PolarHBondContact NZ-OD2 2.91Å; V557-D559 PolarHBondContact O-N 3.03Å; D559-W563 WeakPolarHBondContact O-CB 3.33Å; D559-W563 PolarHBondContact O-N 3.16Å
560	Q	69.9	Low	73.6	Confident	109 Å²	109	87.5 Å²	87.5	51%	0.509	48%	0.475	S	S	.	.	H	α-helix	trans	-76.4	-37	-177.8	-81.4	-169.1	-25.8	0	0	111.8	E506 V557 E558 H564	E506-Q560 PolarHBondContact OE1-NE2 3.5Å; E506-Q560 VanDerWaalsContact OE1-NE2 3.12Å; V557-Q560 PolarHBondContact O-N 3.44Å; V557-Q560 VanDerWaalsContact O-N 3.15Å; E558-Q560 VanDerWaalsContact C-N 3.31Å; E558-Q560 PolarHBondContact O-N 3.41Å; Q560-H564 VanDerWaalsContact O-CB 3.3Å; Q560-H564 WeakPolarHBondContact O-CB 3.42Å; Q560-H564 PolarHBondContact O-N 2.81Å
561	E	77.8	Confident	74.8	Confident	139 Å²	139	83 Å²	83	65%	0.65	45%	0.452	S	S	*	.	H	α-helix	trans	-68.4	-39.8	173.4	-70.9	-171.8	172.1	0	0	111.3	V557 E558 H564 A565	V557-E561 PolarHBondContact O-N 2.88Å; E558-E561 PolarHBondContact O-N 3.14Å; E561-H564 WeakPolarHBondContact O-CB 3.49Å; E561-H564 PolarHBondContact O-N 2.84Å; E561-A565 WeakPolarHBondContact O-CB 3.47Å; E561-A565 PolarHBondContact O-N 3.49Å
562	E	80.4	Confident	76.2	Confident	131 Å²	131	79 Å²	79	61%	0.612	44%	0.443	S	S	*	.	H	α-helix	trans	-63.6	-46.5	175.6	-170.8	176.1	-161.6	0	0	111.8	E558 H564 A565 Q566	E558-E562 WeakPolarHBondContact O-CB 3.41Å; E558-E562 PolarHBondContact O-N 3.05Å; E562-H564 VanDerWaalsContact C-N 3.32Å; E562-H564 PolarHBondContact O-N 3.47Å; E562-A565 PolarHBondContact O-N 3.34Å; E562-Q566 WeakPolarHBondContact O-CB 3.23Å; E562-Q566 PolarHBondContact O-N 2.97Å
563	W	81.7	Confident	77.9	Confident	48 Å²	48	77.7 Å²	77.7	18%	0.182	43%	0.431	C	S	.	.	H	α-helix	trans	-62.2	-40	174.7	-68.5	-8	0	0	0	112.6	L505 E506 K509 D559 A565 Q566 I567	L505-W563 HydrophobicContact CB-CD2 4.08Å; L505-W563 HydrophobicContact CB-CE3 3.91Å; L505-W563 HydrophobicContact CB-CH2 4.43Å; L505-W563 HydrophobicContact CB-CZ3 4.1Å; L505-W563 HydrophobicContact CD1-CB 3.82Å; L505-W563 HydrophobicContact CD1-CD2 4.1Å; L505-W563 HydrophobicContact CD1-CG 3.78Å; E506-W563 HydrophobicContact CG-CE3 4.49Å; E506-W563 HydrophobicContact CG-CZ3 3.79Å; K509-W563 HydrophobicContact CB-CH2 3.73Å; K509-W563 HydrophobicContact CB-CZ2 4.29Å; K509-W563 HydrophobicContact CD-CH2 3.36Å; K509-W563 HydrophobicContact CD-CZ2 3.77Å; K509-W563 HydrophobicContact CD-CZ3 4.43Å; K509-W563 HydrophobicContact CG-CH2 4.13Å; D559-W563 WeakPolarHBondContact O-CB 3.33Å; D559-W563 PolarHBondContact O-N 3.16Å; W563-A565 VanDerWaalsContact C-N 3.33Å; W563-Q566 PolarHBondContact O-N 3.47Å; W563-I567 WeakPolarHBondContact O-CB 3.14Å; W563-I567 WeakPolarHBondContact O-CD1 3.46Å; W563-I567 VanDerWaalsContact O-CG1 3.22Å; W563-I567 WeakPolarHBondContact O-CG1 3.48Å; W563-I567 PolarHBondContact O-N 3.26Å
564	H	86.9	Confident	79.8	Confident	81 Å²	81	71.3 Å²	71.3	38%	0.375	40%	0.402	S	S	.	.	H	α-helix	trans	-60.1	-46.5	174.6	-172.8	-41.7	0	0	0	110.8	K502 Q560 E561 E562 I567 V568	K502-H564 WeakPolarHBondContact CE-CD2 3.26Å; K502-H564 PolarHBondContact NZ-CD2 2.75Å; K502-H564 PolarHBondContact NZ-NE2 2.73Å; Q560-H564 VanDerWaalsContact O-CB 3.3Å; Q560-H564 WeakPolarHBondContact O-CB 3.42Å; Q560-H564 PolarHBondContact O-N 2.81Å; E561-H564 WeakPolarHBondContact O-CB 3.49Å; E561-H564 PolarHBondContact O-N 2.84Å; E562-H564 VanDerWaalsContact C-N 3.32Å; E562-H564 PolarHBondContact O-N 3.47Å; H564-I567 PolarHBondContact O-N 3.29Å; H564-V568 VanDerWaalsContact CE1-CG2 3.44Å; H564-V568 WeakPolarHBondContact CE1-CG2 3.24Å; H564-V568 WeakPolarHBondContact ND1-CG2 3.46Å; H564-V568 WeakPolarHBondContact O-CB 3.23Å; H564-V568 VanDerWaalsContact O-CG2 3.26Å; H564-V568 WeakPolarHBondContact O-CG2 3.29Å; H564-V568 PolarHBondContact O-N 3.2Å
565	A	88.2	Confident	81.7	Confident	58 Å²	58	69.5 Å²	69.5	48%	0.479	38%	0.382	S	S	.	.	H	α-helix	trans	-61.8	-46.3	178.3	0	0	0	0	0	111	E561 E562 W563 I567 V568 E569	E561-A565 WeakPolarHBondContact O-CB 3.47Å; E561-A565 PolarHBondContact O-N 3.49Å; E562-A565 PolarHBondContact O-N 3.34Å; W563-A565 VanDerWaalsContact C-N 3.33Å; A565-I567 PolarHBondContact O-N 2.95Å; A565-V568 PolarHBondContact O-N 3.5Å; A565-E569 WeakPolarHBondContact O-CB 3.47Å; A565-E569 PolarHBondContact O-N 3.46Å
566	Q	89.7	Confident	83.9	Confident	78 Å²	78	70.5 Å²	70.5	36%	0.364	38%	0.379	S	S	.	.	H	α-helix	trans	-58.1	-48.7	177.4	-174.9	-177.4	14.8	0	0	112.2	E562 W563 V568 E569 E570	E562-Q566 WeakPolarHBondContact O-CB 3.23Å; E562-Q566 PolarHBondContact O-N 2.97Å; W563-Q566 PolarHBondContact O-N 3.47Å; Q566-V568 VanDerWaalsContact C-N 3.34Å; Q566-V568 PolarHBondContact O-N 3.32Å; Q566-E569 PolarHBondContact O-N 3.43Å; Q566-E570 WeakPolarHBondContact O-CB 3.42Å; Q566-E570 PolarHBondContact O-N 2.99Å
567	I	93.4	Very high	85.6	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-63.9	-41.3	179.9	-68.7	164.3	0	0	0	110.9	V498 A501 K502 L505 W563 H564 A565 E570 L571 V599	V498-I567 HydrophobicContact CB-CG2 4.32Å; V498-I567 HydrophobicContact CG1-CG2 4.13Å; V498-I567 HydrophobicContact CG2-CG2 4.11Å; A501-I567 HydrophobicContact CB-CD1 3.72Å; A501-I567 HydrophobicContact CB-CG1 4Å; A501-I567 HydrophobicContact CB-CG2 3.71Å; K502-I567 HydrophobicContact CB-CD1 4.3Å; K502-I567 HydrophobicContact CG-CD1 3.59Å; L505-I567 HydrophobicContact CD1-CD1 3.76Å; L505-I567 HydrophobicContact CD1-CG1 4.15Å; W563-I567 WeakPolarHBondContact O-CB 3.14Å; W563-I567 WeakPolarHBondContact O-CD1 3.46Å; W563-I567 VanDerWaalsContact O-CG1 3.22Å; W563-I567 WeakPolarHBondContact O-CG1 3.48Å; W563-I567 PolarHBondContact O-N 3.26Å; H564-I567 PolarHBondContact O-N 3.29Å; A565-I567 PolarHBondContact O-N 2.95Å; I567-E570 PolarHBondContact O-N 3.41Å; I567-L571 VanDerWaalsContact O-CB 3.28Å; I567-L571 WeakPolarHBondContact O-CB 3.48Å; I567-L571 PolarHBondContact O-N 3.26Å; I567-V599 HydrophobicContact CG1-CG1 4.45Å
568	V	93.8	Very high	87.7	Confident	65 Å²	65	75 Å²	75	39%	0.394	38%	0.379	S	S	.	.	H	α-helix	trans	-67	-40.3	179	169.7	0	0	0	0	111.3	H564 A565 Q566 L571 S572	H564-V568 VanDerWaalsContact CE1-CG2 3.44Å; H564-V568 WeakPolarHBondContact CE1-CG2 3.24Å; H564-V568 WeakPolarHBondContact ND1-CG2 3.46Å; H564-V568 WeakPolarHBondContact O-CB 3.23Å; H564-V568 VanDerWaalsContact O-CG2 3.26Å; H564-V568 WeakPolarHBondContact O-CG2 3.29Å; H564-V568 PolarHBondContact O-N 3.2Å; A565-V568 PolarHBondContact O-N 3.5Å; Q566-V568 VanDerWaalsContact C-N 3.34Å; Q566-V568 PolarHBondContact O-N 3.32Å; V568-L571 PolarHBondContact O-N 3.42Å; V568-S572 VanDerWaalsContact O-CB 3.27Å; V568-S572 WeakPolarHBondContact O-CB 3.28Å; V568-S572 PolarHBondContact O-N 3.08Å
569	E	93.8	Very high	89.7	Confident	145 Å²	145	71.6 Å²	71.6	68%	0.678	37%	0.366	S	S	*	.	H	α-helix	trans	-62.4	-46.8	173.9	-176	178.2	-173.6	0	0	111.1	A565 Q566 L571 S572 N573	A565-E569 WeakPolarHBondContact O-CB 3.47Å; A565-E569 PolarHBondContact O-N 3.46Å; Q566-E569 PolarHBondContact O-N 3.43Å; E569-L571 PolarHBondContact O-N 2.96Å; E569-S572 WeakPolarHBondContact O-CB 3.43Å; E569-S572 PolarHBondContact O-N 2.92Å; E569-N573 WeakPolarHBondContact O-CB 3.31Å; E569-N573 PolarHBondContact O-N 3.31Å
570	E	95.1	Very high	91.2	Very high	9 Å²	9	70.9 Å²	70.9	4%	0.042	36%	0.363	C	S	.	.	H	α-helix	trans	-59	-45.7	177.4	-169.9	-179.9	163.7	0	0	111.5	Q566 I567 N573 F574 F597 P598 V599 L600	Q566-E570 WeakPolarHBondContact O-CB 3.42Å; Q566-E570 PolarHBondContact O-N 2.99Å; I567-E570 PolarHBondContact O-N 3.41Å; E570-N573 PolarHBondContact O-N 3Å; E570-F574 PolarHBondContact O-N 2.98Å; E570-F597 HydrophobicContact CG-CB 4.38Å; E570-F597 HydrophobicContact CG-CD1 3.6Å; E570-F597 HydrophobicContact CG-CE1 4.43Å; E570-F597 HydrophobicContact CG-CG 4.48Å; E570-F597 WeakPolarHBondContact OE1-CA 3.27Å; E570-F597 VanDerWaalsContact OE1-CB 3.25Å; E570-F597 WeakPolarHBondContact OE1-CB 3.37Å; E570-P598 WeakPolarHBondContact OE2-CD 3.41Å; E570-V599 PolarHBondContact OE1-N 3.17Å; E570-V599 VanDerWaalsContact OE2-CB 3.28Å; E570-V599 WeakPolarHBondContact OE2-CB 3.46Å; E570-V599 WeakPolarHBondContact OE2-CG2 3.25Å; E570-V599 PolarHBondContact OE2-N 3.45Å; E570-V599 VanDerWaalsContact OE2-N 3.11Å; E570-L600 HydrophobicContact CG-CD1 3.91Å; E570-L600 HydrophobicContact CG-CG 3.95Å; E570-L600 WeakPolarHBondContact OE1-CB 3.5Å; E570-L600 WeakPolarHBondContact OE1-CG 3.25Å; E570-L600 PolarHBondContact OE1-N 3.16Å
571	L	96.2	Very high	92.3	Very high	11 Å²	11	67.1 Å²	67.1	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-63.9	-42.5	176.1	-177.1	64.3	0	0	0	112.2	F474 E494 V497 V498 I567 V568 E569 F574 K575	F474-L571 HydrophobicContact CE1-CD1 3.5Å; F474-L571 VanDerWaalsContact CE1-CD1 3.5Å; F474-L571 HydrophobicContact CZ-CD1 3.67Å; E494-L571 HydrophobicContact CB-CD2 4.26Å; V497-L571 HydrophobicContact CG1-CD1 4.33Å; V498-L571 HydrophobicContact CG2-CD2 3.71Å; I567-L571 VanDerWaalsContact O-CB 3.28Å; I567-L571 WeakPolarHBondContact O-CB 3.48Å; I567-L571 PolarHBondContact O-N 3.26Å; V568-L571 PolarHBondContact O-N 3.42Å; E569-L571 PolarHBondContact O-N 2.96Å; L571-F574 PolarHBondContact O-N 3.4Å; L571-K575 HydrophobicContact CG-CD 4.33Å; L571-K575 WeakPolarHBondContact O-CB 3.35Å; L571-K575 WeakPolarHBondContact O-CG 3.44Å; L571-K575 PolarHBondContact O-N 2.85Å
572	S	96.3	Very high	92.9	Very high	74 Å²	74	65.7 Å²	65.7	52%	0.517	35%	0.349	S	S	.	.	H	α-helix	trans	-61.8	-45.2	176	-175.2	0	0	0	0	111	V568 E569 K575 S576	V568-S572 VanDerWaalsContact O-CB 3.27Å; V568-S572 WeakPolarHBondContact O-CB 3.28Å; V568-S572 PolarHBondContact O-N 3.08Å; E569-S572 WeakPolarHBondContact O-CB 3.43Å; E569-S572 PolarHBondContact O-N 2.92Å; S572-K575 PolarHBondContact O-N 3.22Å; S572-S576 WeakPolarHBondContact O-CB 3.39Å; S572-S576 PolarHBondContact O-N 3.44Å
573	N	96.4	Very high	93.3	Very high	51 Å²	51	67.5 Å²	67.5	27%	0.273	36%	0.363	S	S	.	.	H	α-helix	trans	-57.9	-52.3	173.8	-174.9	0.6	0	0	0	110.3	E569 E570 K575 S576 Q577 F597	E569-N573 WeakPolarHBondContact O-CB 3.31Å; E569-N573 PolarHBondContact O-N 3.31Å; E570-N573 PolarHBondContact O-N 3Å; N573-K575 VanDerWaalsContact C-N 3.31Å; N573-K575 PolarHBondContact O-N 2.92Å; N573-S576 PolarHBondContact O-N 3.09Å; N573-S576 PolarHBondContact O-OG 3.27Å; N573-Q577 WeakPolarHBondContact O-CG 3.48Å; N573-Q577 PolarHBondContact O-N 2.91Å; N573-Q577 VanDerWaalsContact O-N 3.08Å; N573-Q577 PolarHBondContact OD1-NE2 3.38Å; N573-F597 HydrophobicContact CB-CE1 4.2Å
574	F	97.4	Very high	93.8	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-53.3	-46.2	177.6	171.2	-109.3	0	0	0	112.3	F474 P477 K480 E570 L571 S576 Q577 W589 W590 F597 L600	F474-F574 HydrophobicContact CD1-CE1 4.26Å; F474-F574 HydrophobicContact CE1-CD1 4.05Å; F474-F574 AromaticContact CE1-CE1 3.82Å; F474-F574 HydrophobicContact CE1-CE1 3.82Å; F474-F574 HydrophobicContact CZ-CD1 4.1Å; F474-F574 AromaticContact CZ-CE1 3.97Å; F474-F574 HydrophobicContact CZ-CE1 3.97Å; F474-F574 WeakPolarHBondContact O-CE1 3.32Å; F474-F574 WeakPolarHBondContact O-CZ 3.46Å; P477-F574 HydrophobicContact CG-CE2 4.29Å; K480-F574 HydrophobicContact CB-CE1 3.8Å; K480-F574 HydrophobicContact CB-CZ 3.78Å; K480-F574 HydrophobicContact CD-CE1 3.92Å; K480-F574 HydrophobicContact CD-CE2 4.14Å; K480-F574 HydrophobicContact CD-CZ 3.71Å; K480-F574 HydrophobicContact CG-CZ 4.41Å; K480-F574 PolarHBondContact NZ-O 3.04Å; E570-F574 PolarHBondContact O-N 2.98Å; L571-F574 PolarHBondContact O-N 3.4Å; F574-S576 VanDerWaalsContact C-N 3.34Å; F574-S576 PolarHBondContact O-N 2.69Å; F574-Q577 PolarHBondContact O-N 3.3Å; F574-W589 AromaticContact CD2-CH2 3.76Å; F574-W589 HydrophobicContact CD2-CH2 3.76Å; F574-W589 HydrophobicContact CD2-CZ3 4.01Å; F574-W589 HydrophobicContact CE2-CH2 4.02Å; F574-W589 AromaticContact CE2-CZ3 3.99Å; F574-W589 HydrophobicContact CE2-CZ3 3.99Å; F574-W590 AromaticContact CD2-CH2 3.63Å; F574-W590 HydrophobicContact CD2-CH2 3.63Å; F574-W590 AromaticContact CD2-CZ2 3.9Å; F574-W590 HydrophobicContact CD2-CZ2 3.9Å; F574-W590 HydrophobicContact CD2-CZ3 4.49Å; F574-W590 AromaticContact CE2-CH2 3.75Å; F574-W590 HydrophobicContact CE2-CH2 3.75Å; F574-W590 AromaticContact CE2-CZ2 3.49Å; F574-W590 HydrophobicContact CE2-CZ2 3.49Å; F574-W590 VanDerWaalsContact CE2-CZ2 3.49Å; F574-W590 HydrophobicContact CG-CH2 4.35Å; F574-W590 HydrophobicContact CZ-CZ2 4.09Å; F574-F597 HydrophobicContact CB-CD1 4.49Å; F574-F597 HydrophobicContact CB-CE1 3.78Å; F574-F597 HydrophobicContact CB-CZ 4.23Å; F574-L600 HydrophobicContact CB-CD1 3.79Å; F574-L600 HydrophobicContact CG-CD1 4.2Å
575	K	96.4	Very high	94.1	Very high	96 Å²	96	69.4 Å²	69.4	42%	0.417	38%	0.376	S	S	.	.	H	α-helix	trans	-63.9	-37.5	178	-74.9	174.9	56.1	169.5	0	112.5	F474 E494 L571 S572 N573	F474-K575 HydrophobicContact CE2-CG 4.43Å; F474-K575 HydrophobicContact CZ-CD 4.23Å; F474-K575 HydrophobicContact CZ-CG 4.02Å; E494-K575 WeakPolarHBondContact OE1-CE 3.43Å; E494-K575 IonicContact OE1-NZ 3.64Å; E494-K575 PolarHBondContact OE1-NZ 3.25Å; E494-K575 IonicContact OE2-NZ 3.52Å; E494-K575 PolarHBondContact OE2-NZ 3.35Å; L571-K575 HydrophobicContact CG-CD 4.33Å; L571-K575 WeakPolarHBondContact O-CB 3.35Å; L571-K575 WeakPolarHBondContact O-CG 3.44Å; L571-K575 PolarHBondContact O-N 2.85Å; S572-K575 PolarHBondContact O-N 3.22Å; N573-K575 VanDerWaalsContact C-N 3.31Å; N573-K575 PolarHBondContact O-N 2.92Å
576	S	96	Very high	94.4	Very high	87 Å²	87	66.7 Å²	66.7	61%	0.608	35%	0.353	S	S	*	.	H	α-helix	trans	-73	-24.4	-179.8	77.5	0	0	0	0	114.1	S572 N573 F574	S572-S576 WeakPolarHBondContact O-CB 3.39Å; S572-S576 PolarHBondContact O-N 3.44Å; N573-S576 PolarHBondContact O-N 3.09Å; N573-S576 PolarHBondContact O-OG 3.27Å; F574-S576 VanDerWaalsContact C-N 3.34Å; F574-S576 PolarHBondContact O-N 2.69Å
577	Q	96.3	Very high	94.5	Very high	58 Å²	58	63.2 Å²	63.2	27%	0.271	34%	0.338	S	S	.	.	S	Bend	trans	-57.7	151.3	177.4	-66.4	-63.3	-42.9	0	0	111.1	K480 N573 F574 V579 W589 F597	K480-Q577 WeakPolarHBondContact CE-O 3.26Å; K480-Q577 PolarHBondContact NZ-O 3.19Å; N573-Q577 WeakPolarHBondContact O-CG 3.48Å; N573-Q577 PolarHBondContact O-N 2.91Å; N573-Q577 VanDerWaalsContact O-N 3.08Å; N573-Q577 PolarHBondContact OD1-NE2 3.38Å; F574-Q577 PolarHBondContact O-N 3.3Å; Q577-V579 PolarHBondContact O-N 3.02Å; Q577-W589 HydrophobicContact CB-CH2 4.42Å; Q577-W589 HydrophobicContact CB-CZ2 3.84Å; Q577-W589 HydrophobicContact CG-CH2 4.22Å; Q577-W589 HydrophobicContact CG-CZ2 3.91Å; Q577-F597 HydrophobicContact CG-CZ 4.16Å
578	K	95.9	Very high	94.5	Very high	182 Å²	182	69.1 Å²	69.1	79%	0.791	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-58.5	142.2	174.3	-169.5	-177.5	173.6	-173.1	0	110.5	L580	K578-L580 PolarHBondContact O-N 2.94Å
579	V	96.8	Very high	94.5	Very high	50 Å²	50	66.8 Å²	66.8	30%	0.303	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-64.8	132.1	171.5	177.1	0	0	0	0	108.9	R478 K481 Q577	R478-V579 WeakPolarHBondContact O-CG1 3.32Å; K481-V579 HydrophobicContact CD-CG2 3.89Å; K481-V579 VanDerWaalsContact CE-CG2 3.48Å; K481-V579 HydrophobicContact CG-CG2 4.07Å; Q577-V579 PolarHBondContact O-N 3.02Å
580	L	96.4	Very high	94.6	Very high	16 Å²	16	59.9 Å²	59.9	8%	0.084	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-75.3	144.1	178.9	-173.4	66.8	0	0	0	110.5	P477 R478 K578 E584 P586 W589	P477-L580 HydrophobicContact CB-CB 3.8Å; P477-L580 HydrophobicContact CB-CD2 4.24Å; P477-L580 PolarHBondContact O-N 2.82Å; P477-L580 VanDerWaalsContact O-N 3.09Å; R478-L580 WeakPolarHBondContact CA-O 3.29Å; R478-L580 HydrophobicContact CG-CB 3.75Å; R478-L580 HydrophobicContact CG-CD2 3.89Å; R478-L580 HydrophobicContact CG-CG 3.93Å; K578-L580 PolarHBondContact O-N 2.94Å; L580-E584 HydrophobicContact CD1-CB 3.65Å; L580-E584 VanDerWaalsContact CD1-CD 3.43Å; L580-E584 HydrophobicContact CD1-CG 4.16Å; L580-E584 WeakPolarHBondContact CD1-OE2 3.22Å; L580-E584 HydrophobicContact CD2-CB 4.1Å; L580-E584 HydrophobicContact CG-CB 3.72Å; L580-P586 HydrophobicContact CD2-CB 4.31Å; L580-W589 HydrophobicContact CD1-CG 4.46Å; L580-W589 HydrophobicContact CD2-CB 3.82Å; L580-W589 HydrophobicContact CD2-CG 4.16Å
581	G	94.2	Very high	94.5	Very high	30 Å²	30	60.2 Å²	60.2	31%	0.309	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-65.1	149.7	176.1	0	0	0	0	0	112.5	R478 N583 E584	R478-G581 WeakPolarHBondContact CD-O 3.47Å; R478-G581 WeakPolarHBondContact CG-O 3.31Å; G581-N583 PolarHBondContact O-N 3.44Å; G581-E584 VanDerWaalsContact CA-OE2 3.26Å; G581-E584 WeakPolarHBondContact CA-OE2 3.21Å; G581-E584 PolarHBondContact N-OE2 3.5Å; G581-E584 WeakPolarHBondContact O-CB 3.49Å; G581-E584 PolarHBondContact O-N 2.91Å; G581-E584 VanDerWaalsContact O-N 3.09Å
582	L	90.8	Very high	94.3	Very high	108 Å²	108	65 Å²	65	57%	0.565	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-30.4	-175.3	-64.3	-179.5	0	0	0	113.6	R478 Y479	R478-L582 HydrophobicContact CB-CD2 4.34Å; R478-L582 PolarHBondContact NH1-O 2.92Å; Y479-L582 HydrophobicContact CD1-CD2 4.26Å; Y479-L582 HydrophobicContact CE1-CD2 3.45Å; Y479-L582 VanDerWaalsContact CE1-CD2 3.45Å
583	N	88.6	Confident	94.2	Very high	169 Å²	169	64.5 Å²	64.5	90%	0.904	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	0.2	-179.3	-60.3	-17.9	0	0	0	113.4	G581	G581-N583 PolarHBondContact O-N 3.44Å
584	E	92.1	Very high	94	Very high	106 Å²	106	64.1 Å²	64.1	50%	0.495	33%	0.328	S	S	.	.	S	Bend	trans	-92.6	156.1	179.2	-60.5	-179.1	83.4	0	0	111	L580 G581 P586	L580-E584 HydrophobicContact CD1-CB 3.65Å; L580-E584 VanDerWaalsContact CD1-CD 3.43Å; L580-E584 HydrophobicContact CD1-CG 4.16Å; L580-E584 WeakPolarHBondContact CD1-OE2 3.22Å; L580-E584 HydrophobicContact CD2-CB 4.1Å; L580-E584 HydrophobicContact CG-CB 3.72Å; G581-E584 VanDerWaalsContact CA-OE2 3.26Å; G581-E584 WeakPolarHBondContact CA-OE2 3.21Å; G581-E584 PolarHBondContact N-OE2 3.5Å; G581-E584 WeakPolarHBondContact O-CB 3.49Å; G581-E584 PolarHBondContact O-N 2.91Å; G581-E584 VanDerWaalsContact O-N 3.09Å; E584-P586 WeakPolarHBondContact O-CD 3.49Å
585	D	91.9	Very high	93.6	Very high	64 Å²	64	69.1 Å²	69.1	34%	0.342	37%	0.37	S	S	.	.			trans	-83.9	114.5	-176.8	-179.1	-16.2	0	0	0	111.4	L587 K588 W589	D585-L587 WeakPolarHBondContact OD1-CA 3.49Å; D585-L587 WeakPolarHBondContact OD1-CB 3.29Å; D585-L587 PolarHBondContact OD1-N 3.11Å; D585-K588 HydrophobicContact CB-CB 3.81Å; D585-K588 PolarHBondContact OD1-N 2.81Å; D585-K588 VanDerWaalsContact OD1-N 3.07Å; D585-W589 PolarHBondContact O-N 3.18Å; D585-W589 VanDerWaalsContact O-N 3.11Å
586	P	94.4	Very high	93.3	Very high	0 Å²	0	69 Å²	69	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-71.9	-29.8	-179.8	31.2	-36.3	0	0	0	113.5	Y416 L580 E584 W589 W590 W608	Y416-P586 HydrophobicContact CD1-CG 4.38Å; Y416-P586 HydrophobicContact CD2-CG 3.58Å; Y416-P586 HydrophobicContact CE2-CG 3.78Å; Y416-P586 HydrophobicContact CG-CG 3.91Å; L580-P586 HydrophobicContact CD2-CB 4.31Å; E584-P586 WeakPolarHBondContact O-CD 3.49Å; P586-W589 WeakPolarHBondContact O-CB 3.36Å; P586-W589 PolarHBondContact O-N 2.68Å; P586-W590 PolarHBondContact O-N 3.21Å; P586-W608 HydrophobicContact CB-CH2 3.9Å; P586-W608 HydrophobicContact CB-CZ3 4.33Å; P586-W608 HydrophobicContact CG-CH2 3.97Å; P586-W608 HydrophobicContact CG-CZ3 4.15Å
587	L	92.9	Very high	93.2	Very high	6 Å²	6	64.9 Å²	64.9	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-70.3	-38.4	176.1	-76.7	-175	0	0	0	111	L218 L226 V228 D585 W589 W590 S591 L604 W608	L218-L587 HydrophobicContact CD2-CD2 3.93Å; L226-L587 HydrophobicContact CB-CD2 4.06Å; V228-L587 HydrophobicContact CG2-CD1 3.67Å; D585-L587 WeakPolarHBondContact OD1-CA 3.49Å; D585-L587 WeakPolarHBondContact OD1-CB 3.29Å; D585-L587 PolarHBondContact OD1-N 3.11Å; L587-W589 VanDerWaalsContact C-N 3.32Å; L587-W590 PolarHBondContact O-N 3.3Å; L587-S591 WeakPolarHBondContact O-CB 3.28Å; L587-S591 PolarHBondContact O-N 3.41Å; L587-S591 PolarHBondContact O-OG 2.96Å; L587-L604 HydrophobicContact CD2-CD2 4.26Å; L587-W608 HydrophobicContact CD2-CE3 3.75Å; L587-W608 HydrophobicContact CD2-CZ3 3.73Å; L587-W608 HydrophobicContact CG-CE3 4.46Å; L587-W608 HydrophobicContact CG-CZ3 4.14Å
588	K	92.8	Very high	92.8	Very high	124 Å²	124	65.2 Å²	65.2	54%	0.539	35%	0.352	S	S	.	.	H	α-helix	trans	-60.1	-44.4	170.3	-177.3	173.5	179.4	176.1	0	111.3	D585 W590 S591 D592	D585-K588 HydrophobicContact CB-CB 3.81Å; D585-K588 PolarHBondContact OD1-N 2.81Å; D585-K588 VanDerWaalsContact OD1-N 3.07Å; K588-W590 VanDerWaalsContact C-N 3.31Å; K588-W590 PolarHBondContact O-N 3.06Å; K588-S591 PolarHBondContact O-N 2.89Å; K588-D592 VanDerWaalsContact O-CG 3.24Å; K588-D592 PolarHBondContact O-N 2.92Å
589	W	94.7	Very high	92.6	Very high	16 Å²	16	56.7 Å²	56.7	6%	0.061	32%	0.315	C	S	.	.	H	α-helix	trans	-57.7	-43.2	177.7	-175.5	95.2	0	0	0	112.9	P477 F574 Q577 L580 D585 P586 L587 R593 F597	P477-W589 HydrophobicContact CB-CD2 3.84Å; P477-W589 HydrophobicContact CB-CE3 4.01Å; P477-W589 HydrophobicContact CB-CG 4.22Å; P477-W589 HydrophobicContact CB-CZ3 4.43Å; P477-W589 HydrophobicContact CG-CB 4.38Å; P477-W589 HydrophobicContact CG-CD2 3.51Å; P477-W589 HydrophobicContact CG-CE3 3.24Å; P477-W589 HydrophobicContact CG-CG 4.02Å; P477-W589 HydrophobicContact CG-CH2 4.45Å; P477-W589 HydrophobicContact CG-CZ3 3.77Å; F574-W589 AromaticContact CD2-CH2 3.76Å; F574-W589 HydrophobicContact CD2-CH2 3.76Å; F574-W589 HydrophobicContact CD2-CZ3 4.01Å; F574-W589 HydrophobicContact CE2-CH2 4.02Å; F574-W589 AromaticContact CE2-CZ3 3.99Å; F574-W589 HydrophobicContact CE2-CZ3 3.99Å; Q577-W589 HydrophobicContact CB-CH2 4.42Å; Q577-W589 HydrophobicContact CB-CZ2 3.84Å; Q577-W589 HydrophobicContact CG-CH2 4.22Å; Q577-W589 HydrophobicContact CG-CZ2 3.91Å; L580-W589 HydrophobicContact CD1-CG 4.46Å; L580-W589 HydrophobicContact CD2-CB 3.82Å; L580-W589 HydrophobicContact CD2-CG 4.16Å; D585-W589 PolarHBondContact O-N 3.18Å; D585-W589 VanDerWaalsContact O-N 3.11Å; P586-W589 WeakPolarHBondContact O-CB 3.36Å; P586-W589 PolarHBondContact O-N 2.68Å; L587-W589 VanDerWaalsContact C-N 3.32Å; W589-R593 PolarHBondContact O-NH1 3.26Å; W589-F597 AromaticContact CH2-CE2 3.61Å; W589-F597 HydrophobicContact CH2-CE2 3.61Å; W589-F597 AromaticContact CH2-CZ 3.98Å; W589-F597 HydrophobicContact CH2-CZ 3.98Å; W589-F597 HydrophobicContact CZ3-CD2 4.46Å; W589-F597 AromaticContact CZ3-CE2 3.96Å; W589-F597 HydrophobicContact CZ3-CE2 3.96Å
590	W	94.6	Very high	92.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.9	-44.4	175.2	-81	114.5	0	0	0	112	L226 L475 F574 P586 L587 K588 D592 R593 L594 F597 L600 P601 L604	L226-W590 HydrophobicContact CD1-CB 3.82Å; L475-W590 WeakPolarHBondContact O-CZ2 3.43Å; L475-W590 PolarHBondContact O-NE1 2.96Å; F574-W590 AromaticContact CD2-CH2 3.63Å; F574-W590 HydrophobicContact CD2-CH2 3.63Å; F574-W590 AromaticContact CD2-CZ2 3.9Å; F574-W590 HydrophobicContact CD2-CZ2 3.9Å; F574-W590 HydrophobicContact CD2-CZ3 4.49Å; F574-W590 AromaticContact CE2-CH2 3.75Å; F574-W590 HydrophobicContact CE2-CH2 3.75Å; F574-W590 AromaticContact CE2-CZ2 3.49Å; F574-W590 HydrophobicContact CE2-CZ2 3.49Å; F574-W590 VanDerWaalsContact CE2-CZ2 3.49Å; F574-W590 HydrophobicContact CG-CH2 4.35Å; F574-W590 HydrophobicContact CZ-CZ2 4.09Å; P586-W590 PolarHBondContact O-N 3.21Å; L587-W590 PolarHBondContact O-N 3.3Å; K588-W590 VanDerWaalsContact C-N 3.31Å; K588-W590 PolarHBondContact O-N 3.06Å; W590-D592 VanDerWaalsContact C-N 3.34Å; W590-D592 PolarHBondContact O-N 3.35Å; W590-R593 CarbonylContact O-C 3.5Å; W590-R593 PolarHBondContact O-N 3.05Å; W590-L594 WeakPolarHBondContact O-CG 3.48Å; W590-L594 PolarHBondContact O-N 2.66Å; W590-F597 HydrophobicContact CE3-CB 4.47Å; W590-F597 HydrophobicContact CE3-CD2 4.14Å; W590-F597 HydrophobicContact CE3-CG 4.48Å; W590-F597 HydrophobicContact CZ3-CB 3.87Å; W590-F597 HydrophobicContact CZ3-CD1 4.4Å; W590-F597 AromaticContact CZ3-CD2 3.76Å; W590-F597 HydrophobicContact CZ3-CD2 3.76Å; W590-F597 HydrophobicContact CZ3-CE2 4.43Å; W590-F597 AromaticContact CZ3-CG 3.76Å; W590-F597 HydrophobicContact CZ3-CG 3.76Å; W590-L600 HydrophobicContact CH2-CB 3.87Å; W590-L600 HydrophobicContact CH2-CD1 4.18Å; W590-L600 HydrophobicContact CZ3-CB 4.05Å; W590-P601 HydrophobicContact CE3-CG 3.93Å; W590-P601 HydrophobicContact CZ3-CG 4.11Å; W590-L604 HydrophobicContact CG-CD2 4.36Å; W590-L604 HydrophobicContact CZ2-CD1 4.39Å
591	S	92.9	Very high	92.3	Very high	17 Å²	17	54 Å²	54	12%	0.119	30%	0.299	C	S	.	.	H	α-helix	trans	-58.1	-45.5	179.4	-58.9	0	0	0	0	111.9	L226 L587 K588 R593	L226-S591 PolarHBondContact N-OG 3.19Å; L587-S591 WeakPolarHBondContact O-CB 3.28Å; L587-S591 PolarHBondContact O-N 3.41Å; L587-S591 PolarHBondContact O-OG 2.96Å; K588-S591 PolarHBondContact O-N 2.89Å; S591-R593 PolarHBondContact O-N 3.46Å
592	D	93.2	Very high	92.2	Very high	110 Å²	110	56 Å²	56	59%	0.588	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-12.7	177.8	-66.7	-16.7	0	0	0	113.1	K588 W590	K588-D592 VanDerWaalsContact O-CG 3.24Å; K588-D592 PolarHBondContact O-N 2.92Å; W590-D592 VanDerWaalsContact C-N 3.34Å; W590-D592 PolarHBondContact O-N 3.35Å
593	R	93.6	Very high	92.4	Very high	65 Å²	65	50.9 Å²	50.9	25%	0.245	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	13.4	-171.3	-64.9	172.9	-175.5	63.8	7	114	W589 W590 S591 A595 L596 F597	W589-R593 PolarHBondContact O-NH1 3.26Å; W590-R593 CarbonylContact O-C 3.5Å; W590-R593 PolarHBondContact O-N 3.05Å; S591-R593 PolarHBondContact O-N 3.46Å; R593-A595 PolarHBondContact O-N 3.5Å; R593-A595 VanDerWaalsContact O-N 3.13Å; R593-L596 HydrophobicContact CB-CB 4.46Å; R593-L596 HydrophobicContact CB-CD1 4.21Å; R593-L596 HydrophobicContact CG-CD1 4.05Å; R593-L596 WeakPolarHBondContact O-CA 3.31Å; R593-L596 WeakPolarHBondContact O-CB 3.44Å; R593-L596 PolarHBondContact O-N 2.9Å; R593-F597 HydrophobicContact CB-CD2 3.7Å; R593-F597 HydrophobicContact CB-CE2 3.76Å; R593-F597 HydrophobicContact CG-CE2 4.44Å; R593-F597 WeakPolarHBondContact O-CD2 3.45Å; R593-F597 PolarHBondContact O-N 3.43Å
594	L	91.1	Very high	92.7	Very high	42 Å²	42	42.8 Å²	42.8	22%	0.22	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-54.9	-35.5	179	-68.6	177.4	0	0	0	112.5	N224 L226 W590 L596 F597 P601	N224-L594 HydrophobicContact CB-CD1 4.23Å; N224-L594 WeakPolarHBondContact O-CD1 3.3Å; L226-L594 HydrophobicContact CD1-CD2 4.05Å; L226-L594 HydrophobicContact CG-CD2 4.32Å; W590-L594 WeakPolarHBondContact O-CG 3.48Å; W590-L594 PolarHBondContact O-N 2.66Å; L594-L596 VanDerWaalsContact C-N 3.28Å; L594-L596 PolarHBondContact O-N 3.04Å; L594-F597 CarbonylContact O-C 3.59Å; L594-F597 VanDerWaalsContact O-C 3.32Å; L594-F597 PolarHBondContact O-N 3.41Å; L594-F597 VanDerWaalsContact O-O 3.08Å; L594-P601 HydrophobicContact CD2-CB 3.75Å; L594-P601 HydrophobicContact CD2-CG 3.68Å
595	A	89.5	Confident	92.7	Very high	105 Å²	105	39.2 Å²	39.2	87%	0.868	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-68	-24.4	176.7	0	0	0	0	0	113.9	R593	R593-A595 PolarHBondContact O-N 3.5Å; R593-A595 VanDerWaalsContact O-N 3.13Å
596	L	91.4	Very high	92.8	Very high	94 Å²	94	36.9 Å²	36.9	49%	0.492	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-84.7	-20	175.6	-61.3	177.3	0	0	0	112.3	R593 L594	R593-L596 HydrophobicContact CB-CB 4.46Å; R593-L596 HydrophobicContact CB-CD1 4.21Å; R593-L596 HydrophobicContact CG-CD1 4.05Å; R593-L596 WeakPolarHBondContact O-CA 3.31Å; R593-L596 WeakPolarHBondContact O-CB 3.44Å; R593-L596 PolarHBondContact O-N 2.9Å; L594-L596 VanDerWaalsContact C-N 3.28Å; L594-L596 PolarHBondContact O-N 3.04Å
597	F	92.9	Very high	92.9	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	20%	0.2	C	C	.	.			trans	-131.6	82.5	-171.8	-59.2	-66.1	0	0	0	110.5	E570 N573 F574 Q577 W589 W590 R593 L594 L600 P601	E570-F597 HydrophobicContact CG-CB 4.38Å; E570-F597 HydrophobicContact CG-CD1 3.6Å; E570-F597 HydrophobicContact CG-CE1 4.43Å; E570-F597 HydrophobicContact CG-CG 4.48Å; E570-F597 WeakPolarHBondContact OE1-CA 3.27Å; E570-F597 VanDerWaalsContact OE1-CB 3.25Å; E570-F597 WeakPolarHBondContact OE1-CB 3.37Å; N573-F597 HydrophobicContact CB-CE1 4.2Å; F574-F597 HydrophobicContact CB-CD1 4.49Å; F574-F597 HydrophobicContact CB-CE1 3.78Å; F574-F597 HydrophobicContact CB-CZ 4.23Å; Q577-F597 HydrophobicContact CG-CZ 4.16Å; W589-F597 AromaticContact CH2-CE2 3.61Å; W589-F597 HydrophobicContact CH2-CE2 3.61Å; W589-F597 AromaticContact CH2-CZ 3.98Å; W589-F597 HydrophobicContact CH2-CZ 3.98Å; W589-F597 HydrophobicContact CZ3-CD2 4.46Å; W589-F597 AromaticContact CZ3-CE2 3.96Å; W589-F597 HydrophobicContact CZ3-CE2 3.96Å; W590-F597 HydrophobicContact CE3-CB 4.47Å; W590-F597 HydrophobicContact CE3-CD2 4.14Å; W590-F597 HydrophobicContact CE3-CG 4.48Å; W590-F597 HydrophobicContact CZ3-CB 3.87Å; W590-F597 HydrophobicContact CZ3-CD1 4.4Å; W590-F597 AromaticContact CZ3-CD2 3.76Å; W590-F597 HydrophobicContact CZ3-CD2 3.76Å; W590-F597 HydrophobicContact CZ3-CE2 4.43Å; W590-F597 AromaticContact CZ3-CG 3.76Å; W590-F597 HydrophobicContact CZ3-CG 3.76Å; R593-F597 HydrophobicContact CB-CD2 3.7Å; R593-F597 HydrophobicContact CB-CE2 3.76Å; R593-F597 HydrophobicContact CG-CE2 4.44Å; R593-F597 WeakPolarHBondContact O-CD2 3.45Å; R593-F597 PolarHBondContact O-N 3.43Å; L594-F597 CarbonylContact O-C 3.59Å; L594-F597 VanDerWaalsContact O-C 3.32Å; L594-F597 PolarHBondContact O-N 3.41Å; L594-F597 VanDerWaalsContact O-O 3.08Å; F597-L600 HydrophobicContact CD1-CD1 4.2Å; F597-P601 HydrophobicContact CB-CG 4.03Å; F597-P601 WeakPolarHBondContact O-CD 3.44Å; F597-P601 WeakPolarHBondContact O-CG 3.36Å
598	P	88	Confident	93	Very high	65 Å²	65	36.9 Å²	36.9	42%	0.422	20%	0.199	S	C	.	.	S	Bend	trans	-73.3	-22.6	-176.8	26.4	-33.7	0	0	0	114.8	E570 K602	E570-P598 WeakPolarHBondContact OE2-CD 3.41Å; P598-K602 WeakPolarHBondContact O-CE 3.45Å
599	V	91.8	Very high	93.1	Very high	3 Å²	3	31 Å²	31	2%	0.018	17%	0.173	C	C	.	.	S	Bend	trans	-114.5	-43.4	-172.5	-168.7	0	0	0	0	112.7	A501 L505 I567 E570 P601 K602 V603	A501-V599 HydrophobicContact CB-CG1 3.7Å; L505-V599 HydrophobicContact CD1-CG2 4.25Å; L505-V599 HydrophobicContact CD2-CG1 4.4Å; L505-V599 HydrophobicContact CD2-CG2 4.01Å; L505-V599 HydrophobicContact CG-CG1 4.25Å; L505-V599 HydrophobicContact CG-CG2 4.4Å; I567-V599 HydrophobicContact CG1-CG1 4.45Å; E570-V599 PolarHBondContact OE1-N 3.17Å; E570-V599 VanDerWaalsContact OE2-CB 3.28Å; E570-V599 WeakPolarHBondContact OE2-CB 3.46Å; E570-V599 WeakPolarHBondContact OE2-CG2 3.25Å; E570-V599 PolarHBondContact OE2-N 3.45Å; E570-V599 VanDerWaalsContact OE2-N 3.11Å; V599-P601 VanDerWaalsContact C-CD 3.49Å; V599-K602 VanDerWaalsContact O-CB 3.31Å; V599-K602 WeakPolarHBondContact O-CB 3.48Å; V599-K602 PolarHBondContact O-N 3.19Å; V599-V603 PolarHBondContact O-N 3.4Å
600	L	94.8	Very high	93.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.4	-38.3	-176.6	-67.5	179.7	0	0	0	114	V497 E570 F574 W590 F597 K602 V603 L604	V497-L600 HydrophobicContact CG1-CD2 3.6Å; E570-L600 HydrophobicContact CG-CD1 3.91Å; E570-L600 HydrophobicContact CG-CG 3.95Å; E570-L600 WeakPolarHBondContact OE1-CB 3.5Å; E570-L600 WeakPolarHBondContact OE1-CG 3.25Å; E570-L600 PolarHBondContact OE1-N 3.16Å; F574-L600 HydrophobicContact CB-CD1 3.79Å; F574-L600 HydrophobicContact CG-CD1 4.2Å; W590-L600 HydrophobicContact CH2-CB 3.87Å; W590-L600 HydrophobicContact CH2-CD1 4.18Å; W590-L600 HydrophobicContact CZ3-CB 4.05Å; F597-L600 HydrophobicContact CD1-CD1 4.2Å; L600-K602 PolarHBondContact O-N 3.39Å; L600-V603 WeakPolarHBondContact O-CB 3.5Å; L600-V603 PolarHBondContact O-N 3.02Å; L600-V603 VanDerWaalsContact O-N 3.09Å; L600-L604 PolarHBondContact O-N 3.38Å
601	P	92.8	Very high	93.1	Very high	8 Å²	8	31 Å²	31	5%	0.052	17%	0.174	C	C	.	.	H	α-helix	trans	-61.7	-26.6	174.4	-26.6	37.7	0	0	0	113.7	L226 W590 L594 F597 V599 L604 Q605	L226-P601 HydrophobicContact CD1-CB 4.49Å; W590-P601 HydrophobicContact CE3-CG 3.93Å; W590-P601 HydrophobicContact CZ3-CG 4.11Å; L594-P601 HydrophobicContact CD2-CB 3.75Å; L594-P601 HydrophobicContact CD2-CG 3.68Å; F597-P601 HydrophobicContact CB-CG 4.03Å; F597-P601 WeakPolarHBondContact O-CD 3.44Å; F597-P601 WeakPolarHBondContact O-CG 3.36Å; V599-P601 VanDerWaalsContact C-CD 3.49Å; P601-L604 WeakPolarHBondContact O-CB 3.46Å; P601-L604 PolarHBondContact O-N 2.66Å; P601-Q605 VanDerWaalsContact O-CG 3.28Å; P601-Q605 WeakPolarHBondContact O-CG 3.49Å; P601-Q605 PolarHBondContact O-N 3.08Å
602	K	91	Very high	93.2	Very high	73 Å²	73	30.2 Å²	30.2	32%	0.317	17%	0.169	S	C	.	.	H	α-helix	trans	-73.1	-36.8	174.6	-57.2	177.9	-178.1	172.8	0	111.2	L504 P598 V599 L600 Q605 K606	L504-K602 HydrophobicContact CD1-CB 3.88Å; P598-K602 WeakPolarHBondContact O-CE 3.45Å; V599-K602 VanDerWaalsContact O-CB 3.31Å; V599-K602 WeakPolarHBondContact O-CB 3.48Å; V599-K602 PolarHBondContact O-N 3.19Å; L600-K602 PolarHBondContact O-N 3.39Å; K602-Q605 PolarHBondContact O-N 3.02Å; K602-K606 PolarHBondContact O-N 3.37Å
603	V	95	Very high	93.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.3	-45.8	170.2	-173.7	0	0	0	0	109.5	L475 E500 A501 L504 V599 L600 Q605 K606 Y607	L475-V603 HydrophobicContact CD1-CB 4.47Å; L475-V603 HydrophobicContact CD1-CG1 3.94Å; E500-V603 HydrophobicContact CB-CG1 4.03Å; E500-V603 HydrophobicContact CB-CG2 4.44Å; A501-V603 HydrophobicContact CB-CG2 3.88Å; L504-V603 HydrophobicContact CD1-CB 4.45Å; L504-V603 HydrophobicContact CD1-CG2 3.78Å; V599-V603 PolarHBondContact O-N 3.4Å; L600-V603 WeakPolarHBondContact O-CB 3.5Å; L600-V603 PolarHBondContact O-N 3.02Å; L600-V603 VanDerWaalsContact O-N 3.09Å; V603-Q605 VanDerWaalsContact C-N 3.33Å; V603-Q605 PolarHBondContact O-N 2.86Å; V603-K606 WeakPolarHBondContact O-CB 3.47Å; V603-K606 PolarHBondContact O-N 2.93Å; V603-K606 VanDerWaalsContact O-N 3.07Å; V603-Y607 HydrophobicContact CG1-CD2 3.89Å; V603-Y607 HydrophobicContact CG1-CE2 3.88Å; V603-Y607 WeakPolarHBondContact O-CD2 3.37Å; V603-Y607 PolarHBondContact O-N 2.9Å; V603-Y607 VanDerWaalsContact O-N 3.17Å
604	L	94.8	Very high	93	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-54	-47.8	175.2	-176.5	106.2	0	0	0	111.6	L218 L226 L475 L587 W590 L600 P601 K606 Y607 W608	L218-L604 HydrophobicContact CD2-CD2 3.7Å; L218-L604 HydrophobicContact CD2-CG 4.37Å; L226-L604 HydrophobicContact CD1-CD2 3.86Å; L475-L604 HydrophobicContact CB-CD1 3.86Å; L587-L604 HydrophobicContact CD2-CD2 4.26Å; W590-L604 HydrophobicContact CG-CD2 4.36Å; W590-L604 HydrophobicContact CZ2-CD1 4.39Å; L600-L604 PolarHBondContact O-N 3.38Å; P601-L604 WeakPolarHBondContact O-CB 3.46Å; P601-L604 PolarHBondContact O-N 2.66Å; L604-K606 VanDerWaalsContact C-N 3.25Å; L604-K606 PolarHBondContact O-N 3.2Å; L604-Y607 PolarHBondContact O-N 2.95Å; L604-Y607 VanDerWaalsContact O-N 3.14Å; L604-W608 HydrophobicContact CD1-CD2 3.58Å; L604-W608 VanDerWaalsContact CD1-CE2 3.48Å; L604-W608 HydrophobicContact CD1-CE3 3.9Å; L604-W608 HydrophobicContact CD1-CG 4.09Å; L604-W608 HydrophobicContact CD1-CH2 4.13Å; L604-W608 HydrophobicContact CD1-CZ2 3.76Å; L604-W608 HydrophobicContact CD1-CZ3 4.18Å; L604-W608 HydrophobicContact CD2-CD2 4.39Å; L604-W608 HydrophobicContact CD2-CE3 4.18Å; L604-W608 HydrophobicContact CG-CB 4.43Å; L604-W608 HydrophobicContact CG-CD2 3.83Å; L604-W608 HydrophobicContact CG-CE3 4.12Å; L604-W608 HydrophobicContact CG-CG 3.96Å; L604-W608 VanDerWaalsContact O-CB 3.29Å; L604-W608 WeakPolarHBondContact O-CB 3.38Å; L604-W608 PolarHBondContact O-N 3.46Å
605	Q	93.1	Very high	92.8	Very high	31 Å²	31	22.3 Å²	22.3	15%	0.145	13%	0.13	C	C	.	.	H	α-helix	trans	-55.1	-39.3	177.2	-76.6	171.7	-10	0	0	112.9	L218 P601 K602 V603 C609	L218-Q605 HydrophobicContact CB-CB 4.38Å; L218-Q605 HydrophobicContact CB-CG 3.83Å; P601-Q605 VanDerWaalsContact O-CG 3.28Å; P601-Q605 WeakPolarHBondContact O-CG 3.49Å; P601-Q605 PolarHBondContact O-N 3.08Å; K602-Q605 PolarHBondContact O-N 3.02Å; V603-Q605 VanDerWaalsContact C-N 3.33Å; V603-Q605 PolarHBondContact O-N 2.86Å; Q605-C609 VanDerWaalsContact O-CB 3.27Å; Q605-C609 WeakPolarHBondContact O-CB 3.42Å; Q605-C609 PolarHBondContact O-N 2.69Å; Q605-C609 PolarHBondContact O-SG 3.02Å
606	K	93.9	Very high	92.4	Very high	14 Å²	14	21.5 Å²	21.5	6%	0.061	11%	0.107	C	C	.	.	H	α-helix	trans	-68.9	-36.2	178.3	-177.2	178.6	175.8	-175	0	113.4	W193 F265 E500 K602 V603 L604 C609	W193-K606 HydrophobicContact CB-CB 4.39Å; W193-K606 HydrophobicContact CD2-CB 4.34Å; W193-K606 HydrophobicContact CD2-CD 4.26Å; W193-K606 HydrophobicContact CD2-CG 3.95Å; W193-K606 HydrophobicContact CE3-CG 4.46Å; W193-K606 HydrophobicContact CG-CB 3.91Å; W193-K606 HydrophobicContact CG-CG 4Å; W193-K606 HydrophobicContact CZ2-CD 4.07Å; F265-K606 HydrophobicContact CD1-CD 4.45Å; F265-K606 HydrophobicContact CD1-CG 3.7Å; F265-K606 WeakPolarHBondContact CD1-O 3.25Å; F265-K606 VanDerWaalsContact CD2-CE 3.5Å; F265-K606 HydrophobicContact CD2-CG 4.47Å; F265-K606 HydrophobicContact CE1-CD 4.28Å; F265-K606 VanDerWaalsContact CE1-CE 3.42Å; F265-K606 HydrophobicContact CE1-CG 3.9Å; F265-K606 HydrophobicContact CE2-CD 4.5Å; F265-K606 HydrophobicContact CG-CG 4.03Å; F265-K606 HydrophobicContact CZ-CD 4.35Å; F265-K606 HydrophobicContact CZ-CG 4.42Å; E500-K606 IonicContact OE1-NZ 3.24Å; E500-K606 IonicContact OE2-NZ 2.63Å; E500-K606 PolarHBondContact OE2-NZ 3.35Å; K602-K606 PolarHBondContact O-N 3.37Å; V603-K606 WeakPolarHBondContact O-CB 3.47Å; V603-K606 PolarHBondContact O-N 2.93Å; V603-K606 VanDerWaalsContact O-N 3.07Å; L604-K606 VanDerWaalsContact C-N 3.25Å; L604-K606 PolarHBondContact O-N 3.2Å; K606-C609 PolarHBondContact O-SG 3.42Å
607	Y	96.4	Very high	91.9	Very high	6 Å²	6	17.6 Å²	17.6	2%	0.024	9%	0.087	C	C	.	.	H	α-helix	trans	-88	-38.1	-178.3	-80.7	-98	0	0	0	112.5	F468 V471 A472 L475 E500 V603 L604 C609 I610	F468-Y607 HydrophobicContact CB-CE1 4.47Å; F468-Y607 HydrophobicContact CD1-CD1 4.36Å; F468-Y607 AromaticContact CD2-CD1 3.5Å; F468-Y607 HydrophobicContact CD2-CD1 3.5Å; F468-Y607 AromaticContact CD2-CE1 3.38Å; F468-Y607 HydrophobicContact CD2-CE1 3.38Å; F468-Y607 HydrophobicContact CE1-CD1 4.18Å; F468-Y607 AromaticContact CE2-CD1 3.27Å; F468-Y607 HydrophobicContact CE2-CD1 3.27Å; F468-Y607 AromaticContact CE2-CE1 3.63Å; F468-Y607 HydrophobicContact CE2-CE1 3.63Å; F468-Y607 AromaticContact CE2-CG 3.99Å; F468-Y607 HydrophobicContact CE2-CG 3.99Å; F468-Y607 HydrophobicContact CG-CD1 4.03Å; F468-Y607 AromaticContact CG-CE1 3.98Å; F468-Y607 HydrophobicContact CG-CE1 3.98Å; F468-Y607 AromaticContact CZ-CD1 3.64Å; F468-Y607 HydrophobicContact CZ-CD1 3.64Å; F468-Y607 HydrophobicContact CZ-CE1 4.39Å; F468-Y607 HydrophobicContact CZ-CG 4.23Å; F468-Y607 WeakPolarHBondContact CZ-O 3.19Å; V471-Y607 HydrophobicContact CB-CD1 3.99Å; V471-Y607 HydrophobicContact CB-CE1 3.53Å; V471-Y607 HydrophobicContact CG1-CD1 3.76Å; V471-Y607 HydrophobicContact CG1-CD2 4.02Å; V471-Y607 HydrophobicContact CG1-CE1 3.44Å; V471-Y607 VanDerWaalsContact CG1-CE1 3.44Å; V471-Y607 HydrophobicContact CG1-CE2 3.72Å; V471-Y607 HydrophobicContact CG1-CG 4.04Å; V471-Y607 VanDerWaalsContact CG1-CZ 3.41Å; V471-Y607 HydrophobicContact CG2-CE1 4.27Å; A472-Y607 HydrophobicContact CB-CD1 4.37Å; L475-Y607 HydrophobicContact CD1-CD2 4.5Å; E500-Y607 HydrophobicContact CG-CE2 4.1Å; V603-Y607 HydrophobicContact CG1-CD2 3.89Å; V603-Y607 HydrophobicContact CG1-CE2 3.88Å; V603-Y607 WeakPolarHBondContact O-CD2 3.37Å; V603-Y607 PolarHBondContact O-N 2.9Å; V603-Y607 VanDerWaalsContact O-N 3.17Å; L604-Y607 PolarHBondContact O-N 2.95Å; L604-Y607 VanDerWaalsContact O-N 3.14Å; Y607-C609 VanDerWaalsContact C-N 3.33Å; Y607-I610 PolarHBondContact O-N 2.84Å
608	W	95.8	Very high	91.1	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-86.7	-4.7	-174.2	-73.3	25	0	0	0	113.4	L218 P417 I419 A472 D476 P586 L587 L604 I610	L218-W608 HydrophobicContact CD1-CB 3.7Å; L218-W608 WeakPolarHBondContact CD1-O 3.31Å; L218-W608 HydrophobicContact CD2-CB 3.84Å; L218-W608 HydrophobicContact CD2-CE3 4.46Å; L218-W608 HydrophobicContact CG-CB 4.45Å; P417-W608 HydrophobicContact CB-CB 4.17Å; P417-W608 HydrophobicContact CB-CD2 4.34Å; P417-W608 HydrophobicContact CB-CE3 4.11Å; P417-W608 HydrophobicContact CB-CG 4.42Å; P417-W608 HydrophobicContact CG-CB 4.04Å; P417-W608 HydrophobicContact CG-CD2 4.31Å; P417-W608 HydrophobicContact CG-CE3 3.72Å; P417-W608 HydrophobicContact CG-CG 4.5Å; I419-W608 HydrophobicContact CG2-CB 4.47Å; I419-W608 HydrophobicContact CG2-CG 4.24Å; A472-W608 PolarHBondContact O-NE1 3.32Å; D476-W608 HydrophobicContact CB-CH2 4.28Å; D476-W608 HydrophobicContact CB-CZ2 3.82Å; P586-W608 HydrophobicContact CB-CH2 3.9Å; P586-W608 HydrophobicContact CB-CZ3 4.33Å; P586-W608 HydrophobicContact CG-CH2 3.97Å; P586-W608 HydrophobicContact CG-CZ3 4.15Å; L587-W608 HydrophobicContact CD2-CE3 3.75Å; L587-W608 HydrophobicContact CD2-CZ3 3.73Å; L587-W608 HydrophobicContact CG-CE3 4.46Å; L587-W608 HydrophobicContact CG-CZ3 4.14Å; L604-W608 HydrophobicContact CD1-CD2 3.58Å; L604-W608 VanDerWaalsContact CD1-CE2 3.48Å; L604-W608 HydrophobicContact CD1-CE3 3.9Å; L604-W608 HydrophobicContact CD1-CG 4.09Å; L604-W608 HydrophobicContact CD1-CH2 4.13Å; L604-W608 HydrophobicContact CD1-CZ2 3.76Å; L604-W608 HydrophobicContact CD1-CZ3 4.18Å; L604-W608 HydrophobicContact CD2-CD2 4.39Å; L604-W608 HydrophobicContact CD2-CE3 4.18Å; L604-W608 HydrophobicContact CG-CB 4.43Å; L604-W608 HydrophobicContact CG-CD2 3.83Å; L604-W608 HydrophobicContact CG-CE3 4.12Å; L604-W608 HydrophobicContact CG-CG 3.96Å; L604-W608 VanDerWaalsContact O-CB 3.29Å; L604-W608 WeakPolarHBondContact O-CB 3.38Å; L604-W608 PolarHBondContact O-N 3.46Å; W608-I610 PolarHBondContact O-N 2.84Å
609	C	94.4	Very high	90.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-12.7	168.3	70.3	0	0	0	0	112.8	G195 H216 Q605 K606 Y607	G195-C609 VanDerWaalsContact CA-O 3.29Å; G195-C609 WeakPolarHBondContact CA-O 3.39Å; G195-C609 PolarHBondContact N-O 3.35Å; G195-C609 PolarHBondContact N-SG 3.05Å; G195-C609 VanDerWaalsContact N-SG 3.39Å; H216-C609 WeakPolarHBondContact CB-O 3.26Å; Q605-C609 VanDerWaalsContact O-CB 3.27Å; Q605-C609 WeakPolarHBondContact O-CB 3.42Å; Q605-C609 PolarHBondContact O-N 2.69Å; Q605-C609 PolarHBondContact O-SG 3.02Å; K606-C609 PolarHBondContact O-SG 3.42Å; Y607-C609 VanDerWaalsContact C-N 3.33Å
610	I	95.5	Very high	90	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-93.7	132.8	172.7	-66.1	157.8	0	0	0	107.9	F265 T268 V286 M288 I419 F468 Y607 W608	F265-I610 HydrophobicContact CD1-CD1 3.95Å; T268-I610 WeakPolarHBondContact OG1-CG2 3.31Å; V286-I610 HydrophobicContact CB-CD1 3.98Å; V286-I610 HydrophobicContact CG1-CD1 4.06Å; V286-I610 HydrophobicContact CG2-CD1 4.37Å; M288-I610 HydrophobicContact CB-CG2 3.84Å; M288-I610 HydrophobicContact CG-CG2 4.06Å; I419-I610 WeakPolarHBondContact CB-O 2.98Å; I419-I610 HydrophobicContact CD1-CG2 4.4Å; I419-I610 VanDerWaalsContact CG2-O 3.32Å; I419-I610 WeakPolarHBondContact CG2-O 3.16Å; F468-I610 HydrophobicContact CE1-CB 4.44Å; F468-I610 HydrophobicContact CE1-CD1 4.22Å; F468-I610 HydrophobicContact CE1-CG2 4.49Å; F468-I610 HydrophobicContact CE2-CD1 3.6Å; F468-I610 HydrophobicContact CZ-CB 4.08Å; F468-I610 HydrophobicContact CZ-CD1 3.33Å; F468-I610 HydrophobicContact CZ-CG1 4.25Å; Y607-I610 PolarHBondContact O-N 2.84Å; W608-I610 PolarHBondContact O-N 2.84Å
611	L	93.3	Very high	89	Confident	17 Å²	17	21.4 Å²	21.4	9%	0.089	10%	0.098	C	C	.	.			trans	-93.6	155	-178.7	-60.2	-169.7	0	0	0	111.7	H216 V228 T268 T613	H216-L611 HydrophobicContact CB-CD1 4.44Å; H216-L611 HydrophobicContact CB-CD2 4.39Å; H216-L611 HydrophobicContact CB-CG 4.11Å; H216-L611 WeakPolarHBondContact CE1-CD1 3.44Å; H216-L611 VanDerWaalsContact ND1-CD1 3.32Å; H216-L611 WeakPolarHBondContact ND1-CD1 3.33Å; V228-L611 HydrophobicContact CG1-CD2 4.43Å; T268-L611 VanDerWaalsContact CG2-O 3.26Å; T268-L611 WeakPolarHBondContact CG2-O 3.37Å; T268-L611 PolarHBondContact OG1-O 3.1Å; L611-T613 VanDerWaalsContact C-N 3.25Å; L611-T613 WeakPolarHBondContact CB-O 3.35Å; L611-T613 PolarHBondContact O-N 3.05Å
612	A	94.8	Very high	87.8	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.008	11%	0.108	C	C	.	.	S	Bend	trans	-72.3	-21.2	171.9	0	0	0	0	0	112.9	L291 M411 T418 V422	L291-A612 WeakPolarHBondContact CB-O 3.44Å; L291-A612 PolarHBondContact N-O 3.16Å; M411-A612 HydrophobicContact CE-CB 3.62Å; T418-A612 WeakPolarHBondContact OG1-CB 3.42Å; V422-A612 HydrophobicContact CG2-CB 3.53Å
613	T	93.7	Very high	86.6	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.012	11%	0.106	C	C	.	.	S	Bend	trans	-127.8	146.1	-175	52.9	0	0	0	0	111.3	M411 L611 V615 P617 L620 F621	M411-T613 HydrophobicContact CE-CG2 3.73Å; L611-T613 VanDerWaalsContact C-N 3.25Å; L611-T613 WeakPolarHBondContact CB-O 3.35Å; L611-T613 PolarHBondContact O-N 3.05Å; T613-V615 VanDerWaalsContact C-N 3.32Å; T613-V615 VanDerWaalsContact CB-O 3.25Å; T613-V615 WeakPolarHBondContact CB-O 3.32Å; T613-V615 PolarHBondContact OG1-O 3.06Å; T613-P617 HydrophobicContact CG2-CG 4.46Å; T613-L620 VanDerWaalsContact CB-CD1 3.46Å; T613-L620 HydrophobicContact CG2-CD1 3.61Å; T613-F621 HydrophobicContact CG2-CE2 4.38Å; T613-F621 HydrophobicContact CG2-CZ 4.34Å
614	R	89.9	Confident	85.4	Confident	34 Å²	34	20.8 Å²	20.8	13%	0.128	11%	0.107	C	C	.	.	S	Bend	trans	-74.8	-21	-178.3	71.2	-176.3	-175.9	128	20	114.1	S197 D199 L200 T268 D270 C290	S197-R614 WeakPolarHBondContact CB-O 3.38Å; S197-R614 PolarHBondContact OG-O 3.47Å; D199-R614 IonicContact OD1-CZ 3.49Å; D199-R614 VanDerWaalsContact OD1-CZ 3.25Å; D199-R614 IonicContact OD1-NE 3.41Å; D199-R614 IonicContact OD1-NH1 2.73Å; D199-R614 PolarHBondContact OD1-NH1 2.76Å; D199-R614 IonicContact OD1-NH2 2.75Å; D199-R614 PolarHBondContact OD1-NH2 2.91Å; L200-R614 PolarHBondContact O-NH1 3.39Å; T268-R614 HydrophobicContact CG2-CB 4.47Å; D270-R614 IonicContact OD2-NH1 3.05Å; D270-R614 PolarHBondContact OD2-NH1 3.12Å; D270-R614 VanDerWaalsContact OD2-NH1 3.12Å; C290-R614 HydrophobicContact CB-CB 4.11Å; C290-R614 HydrophobicContact CB-CG 4.27Å; C290-R614 PolarHBondContact SG-N 3.15Å; C290-R614 VanDerWaalsContact SG-N 3.35Å
615	V	85.6	Confident	84.4	Confident	14 Å²	14	22.3 Å²	22.3	9%	0.085	12%	0.12	C	C	.	.	S	Bend	trans	-136.3	171.8	169.6	-61.6	0	0	0	0	108.5	D199 T613 R619 L620	D199-V615 HydrophobicContact CB-CG1 3.45Å; D199-V615 VanDerWaalsContact CB-CG1 3.45Å; D199-V615 VanDerWaalsContact CG-CG1 3.41Å; T613-V615 VanDerWaalsContact C-N 3.32Å; T613-V615 VanDerWaalsContact CB-O 3.25Å; T613-V615 WeakPolarHBondContact CB-O 3.32Å; T613-V615 PolarHBondContact OG1-O 3.06Å; V615-R619 HydrophobicContact CG2-CB 3.95Å; V615-R619 HydrophobicContact CG2-CG 4.21Å; V615-L620 HydrophobicContact CG2-CD1 4.13Å; V615-L620 HydrophobicContact CG2-CD2 3.63Å; V615-L620 HydrophobicContact CG2-CG 3.44Å; V615-L620 VanDerWaalsContact CG2-CG 3.44Å
616	F	82.1	Confident	83.6	Confident	88 Å²	88	23.6 Å²	23.6	39%	0.386	13%	0.128	S	C	.	.			trans	-51.6	132.5	173.8	-68.5	-70.1	0	0	0	110.9	E618 R619 L620	F616-E618 WeakPolarHBondContact CB-OE2 3.47Å; F616-E618 PolarHBondContact O-N 3.31Å; F616-E618 VanDerWaalsContact O-N 3.12Å; F616-R619 WeakPolarHBondContact O-CB 3.47Å; F616-R619 PolarHBondContact O-N 3.34Å; F616-L620 PolarHBondContact O-N 3.18Å
617	P	80.5	Confident	83	Confident	12 Å²	12	23.8 Å²	23.8	8%	0.078	13%	0.13	C	C	.	.	H	α-helix	trans	-55	-31.3	-173	-27.6	36.1	0	0	0	114.2	M411 S412 T613 R619 L620 F621	M411-P617 HydrophobicContact CB-CB 4.04Å; M411-P617 HydrophobicContact CB-CG 4.05Å; S412-P617 WeakPolarHBondContact OG-CB 3.27Å; T613-P617 HydrophobicContact CG2-CG 4.46Å; P617-R619 PolarHBondContact O-N 3.47Å; P617-L620 PolarHBondContact O-N 2.81Å; P617-F621 HydrophobicContact CB-CD2 3.7Å; P617-F621 HydrophobicContact CB-CE2 3.88Å; P617-F621 WeakPolarHBondContact O-CB 3.39Å; P617-F621 WeakPolarHBondContact O-CD2 3.37Å; P617-F621 WeakPolarHBondContact O-CG 3.47Å; P617-F621 PolarHBondContact O-N 3.34Å
618	E	76.6	Confident	82.4	Confident	73 Å²	73	23.5 Å²	23.5	34%	0.341	13%	0.129	S	C	.	.	H	α-helix	trans	-56.3	-38.2	174.5	-61.2	79.1	-179.1	0	0	111.8	S412 F616 G622 S624	S412-E618 PolarHBondContact OG-N 2.96Å; F616-E618 WeakPolarHBondContact CB-OE2 3.47Å; F616-E618 PolarHBondContact O-N 3.31Å; F616-E618 VanDerWaalsContact O-N 3.12Å; E618-G622 WeakPolarHBondContact O-CA 3.44Å; E618-G622 PolarHBondContact O-N 3.05Å; E618-S624 PolarHBondContact O-OG 3.44Å
619	R	77.5	Confident	81.8	Confident	31 Å²	31	25.8 Å²	25.8	12%	0.117	15%	0.145	C	C	.	.	H	α-helix	trans	-81.5	-16.3	178.9	-167.6	-175.8	-60.7	168.9	-0	113	V615 F616 P617 A625 E648	V615-R619 HydrophobicContact CG2-CB 3.95Å; V615-R619 HydrophobicContact CG2-CG 4.21Å; F616-R619 WeakPolarHBondContact O-CB 3.47Å; F616-R619 PolarHBondContact O-N 3.34Å; P617-R619 PolarHBondContact O-N 3.47Å; R619-A625 WeakPolarHBondContact O-CB 3.42Å; R619-E648 IonicContact CZ-OE1 2.97Å; R619-E648 IonicContact CZ-OE2 2.61Å; R619-E648 IonicContact NH1-OE1 3.14Å; R619-E648 PolarHBondContact NH1-OE1 3.41Å; R619-E648 IonicContact NH1-OE2 2.78Å; R619-E648 PolarHBondContact NH1-OE2 3.05Å; R619-E648 VanDerWaalsContact NH2-CD 3.25Å; R619-E648 IonicContact NH2-OE1 3.49Å; R619-E648 PolarHBondContact NH2-OE1 2.74Å; R619-E648 IonicContact NH2-OE2 3.58Å; R619-E648 PolarHBondContact NH2-OE2 3.19Å
620	L	77.9	Confident	81.4	Confident	23 Å²	23	27.9 Å²	27.9	12%	0.12	16%	0.162	C	C	.	.	H	α-helix	trans	-90.7	-38.1	172.6	-73.1	173.3	0	0	0	112.3	T613 V615 F616 P617	T613-L620 VanDerWaalsContact CB-CD1 3.46Å; T613-L620 HydrophobicContact CG2-CD1 3.61Å; V615-L620 HydrophobicContact CG2-CD1 4.13Å; V615-L620 HydrophobicContact CG2-CD2 3.63Å; V615-L620 HydrophobicContact CG2-CG 3.44Å; V615-L620 VanDerWaalsContact CG2-CG 3.44Å; F616-L620 PolarHBondContact O-N 3.18Å; P617-L620 PolarHBondContact O-N 2.81Å
621	F	74.3	Confident	81.1	Confident	22 Å²	22	28.6 Å²	28.6	10%	0.096	17%	0.165	C	C	.	.	H	α-helix	trans	-111.9	-12.4	-163.6	-56.1	-40.4	0	0	0	114.1	W353 A408 M411 T613 P617	W353-F621 AromaticContact CH2-CD1 3.34Å; W353-F621 HydrophobicContact CH2-CD1 3.34Å; W353-F621 AromaticContact CH2-CE1 3.67Å; W353-F621 HydrophobicContact CH2-CE1 3.67Å; W353-F621 HydrophobicContact CZ2-CB 4.28Å; W353-F621 AromaticContact CZ2-CD1 3.36Å; W353-F621 HydrophobicContact CZ2-CD1 3.36Å; W353-F621 HydrophobicContact CZ2-CE1 4.09Å; W353-F621 HydrophobicContact CZ2-CG 4.27Å; W353-F621 HydrophobicContact CZ3-CD1 4.42Å; W353-F621 PolarHBondContact NE1-O 3.21Å; A408-F621 VanDerWaalsContact CA-CD2 3.48Å; A408-F621 HydrophobicContact CB-CB 3.52Å; A408-F621 HydrophobicContact CB-CD1 3.97Å; A408-F621 HydrophobicContact CB-CD2 3.42Å; A408-F621 VanDerWaalsContact CB-CD2 3.42Å; A408-F621 HydrophobicContact CB-CE1 4.48Å; A408-F621 HydrophobicContact CB-CE2 4.03Å; A408-F621 HydrophobicContact CB-CG 3.36Å; M411-F621 HydrophobicContact CB-CE2 4.32Å; M411-F621 HydrophobicContact SD-CE2 4.09Å; M411-F621 HydrophobicContact SD-CZ 4.46Å; T613-F621 HydrophobicContact CG2-CE2 4.38Å; T613-F621 HydrophobicContact CG2-CZ 4.34Å; P617-F621 HydrophobicContact CB-CD2 3.7Å; P617-F621 HydrophobicContact CB-CE2 3.88Å; P617-F621 WeakPolarHBondContact O-CB 3.39Å; P617-F621 WeakPolarHBondContact O-CD2 3.37Å; P617-F621 WeakPolarHBondContact O-CG 3.47Å; P617-F621 PolarHBondContact O-N 3.34Å
622	G	68.9	Low	81	Confident	25 Å²	25	28.4 Å²	28.4	26%	0.258	16%	0.163	S	C	.	.	S	Bend	trans	-114.5	172.7	-175	0	0	0	0	0	114.9	E618 S624 A625	E618-G622 WeakPolarHBondContact O-CA 3.44Å; E618-G622 PolarHBondContact O-N 3.05Å; G622-S624 PolarHBondContact O-N 3.18Å; G622-A625 WeakPolarHBondContact O-CB 3.5Å; G622-A625 PolarHBondContact O-N 3.34Å
623	S	65.6	Low	80.7	Confident	41 Å²	41	29.2 Å²	29.2	29%	0.287	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.5	174.1	55.1	0	0	0	0	112.6	A625 N626 E659	S623-A625 PolarHBondContact O-N 3.23Å; S623-N626 WeakPolarHBondContact O-CB 3.46Å; S623-N626 PolarHBondContact O-N 3.14Å; S623-E659 VanDerWaalsContact OG-CG 3.31Å; S623-E659 WeakPolarHBondContact OG-CG 3.41Å; S623-E659 PolarHBondContact OG-OE2 3.15Å; S623-E659 VanDerWaalsContact OG-OE2 3.07Å
624	S	69.9	Low	80.5	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-54.5	-25.9	177.1	78.3	0	0	0	0	114.4	E618 G622 N626 V627 V628	E618-S624 PolarHBondContact O-OG 3.44Å; G622-S624 PolarHBondContact O-N 3.18Å; S624-N626 PolarHBondContact O-N 2.9Å; S624-V627 PolarHBondContact O-N 2.85Å; S624-V628 WeakPolarHBondContact O-CG2 3.49Å; S624-V628 PolarHBondContact O-N 2.88Å
625	A	73.2	Confident	80.5	Confident	31 Å²	31	33 Å²	33	26%	0.256	18%	0.182	S	C	.	.	H	α-helix	trans	-54.8	-40.7	174	0	0	0	0	0	111.9	R619 G622 S623 S629	R619-A625 WeakPolarHBondContact O-CB 3.42Å; G622-A625 WeakPolarHBondContact O-CB 3.5Å; G622-A625 PolarHBondContact O-N 3.34Å; S623-A625 PolarHBondContact O-N 3.23Å; A625-S629 WeakPolarHBondContact O-CB 3.35Å; A625-S629 PolarHBondContact O-N 3.39Å
626	N	76.1	Confident	80.6	Confident	58 Å²	58	34.3 Å²	34.3	31%	0.31	19%	0.194	S	C	.	.	H	α-helix	trans	-71.3	-44.9	179.5	-62.7	-33.8	0	0	0	111.5	V351 S623 S624 V628 S629 A630	V351-N626 VanDerWaalsContact CG1-ND2 3.31Å; V351-N626 WeakPolarHBondContact CG1-ND2 3.44Å; V351-N626 WeakPolarHBondContact CG1-OD1 3.38Å; V351-N626 WeakPolarHBondContact CG2-ND2 3.3Å; S623-N626 WeakPolarHBondContact O-CB 3.46Å; S623-N626 PolarHBondContact O-N 3.14Å; S624-N626 PolarHBondContact O-N 2.9Å; N626-V628 VanDerWaalsContact C-N 3.31Å; N626-V628 PolarHBondContact O-N 3.23Å; N626-S629 PolarHBondContact O-N 3.27Å; N626-A630 VanDerWaalsContact O-CB 3.28Å; N626-A630 WeakPolarHBondContact O-CB 3.49Å; N626-A630 PolarHBondContact O-N 2.53Å
627	V	81.1	Confident	81	Confident	18 Å²	18	32.8 Å²	32.8	11%	0.109	19%	0.193	C	C	.	.	H	α-helix	trans	-58.9	-46.4	178.7	178.4	0	0	0	0	110	S624 A630 K631	S624-V627 PolarHBondContact O-N 2.85Å; V627-A630 PolarHBondContact O-N 3.12Å; V627-K631 HydrophobicContact CG1-CD 4.23Å; V627-K631 WeakPolarHBondContact O-CB 3.28Å; V627-K631 VanDerWaalsContact O-CG 3.27Å; V627-K631 WeakPolarHBondContact O-CG 3.22Å; V627-K631 PolarHBondContact O-N 3.42Å
628	V	83.3	Confident	81.4	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-66.6	-43.5	176.9	175.7	0	0	0	0	111.3	M138 S624 N626 A630 K631 R632 E657	M138-V628 HydrophobicContact CE-CG1 4.45Å; S624-V628 WeakPolarHBondContact O-CG2 3.49Å; S624-V628 PolarHBondContact O-N 2.88Å; N626-V628 VanDerWaalsContact C-N 3.31Å; N626-V628 PolarHBondContact O-N 3.23Å; V628-A630 PolarHBondContact O-N 3.29Å; V628-K631 PolarHBondContact O-N 3.07Å; V628-R632 HydrophobicContact CG1-CG 4.34Å; V628-R632 WeakPolarHBondContact O-CB 3.49Å; V628-R632 VanDerWaalsContact O-CG 3.3Å; V628-R632 WeakPolarHBondContact O-CG 3.49Å; V628-R632 PolarHBondContact O-N 3.05Å; V628-E657 HydrophobicContact CG2-CG 4.21Å
629	S	84.4	Confident	81.9	Confident	47 Å²	47	34.9 Å²	34.9	33%	0.329	22%	0.216	S	C	.	.	H	α-helix	trans	-59.7	-45.1	176.1	-175.4	0	0	0	0	111.8	A625 N626 R632 N633	A625-S629 WeakPolarHBondContact O-CB 3.35Å; A625-S629 PolarHBondContact O-N 3.39Å; N626-S629 PolarHBondContact O-N 3.27Å; S629-R632 PolarHBondContact O-N 3.35Å; S629-N633 WeakPolarHBondContact O-CB 3.24Å; S629-N633 VanDerWaalsContact O-CG 3.27Å; S629-N633 PolarHBondContact O-N 3.39Å; S629-N633 PolarHBondContact O-ND2 3.01Å
630	A	86.2	Confident	82.7	Confident	44 Å²	44	33.5 Å²	33.5	36%	0.364	21%	0.211	S	C	.	.	H	α-helix	trans	-63	-42.8	176.4	0	0	0	0	0	111.8	N626 V627 V628 N633 R634	N626-A630 VanDerWaalsContact O-CB 3.28Å; N626-A630 WeakPolarHBondContact O-CB 3.49Å; N626-A630 PolarHBondContact O-N 2.53Å; V627-A630 PolarHBondContact O-N 3.12Å; V628-A630 PolarHBondContact O-N 3.29Å; A630-N633 PolarHBondContact O-N 3.01Å; A630-R634 WeakPolarHBondContact O-CG 3.36Å; A630-R634 PolarHBondContact O-N 3.15Å
631	K	89.3	Confident	83.5	Confident	16 Å²	16	34.6 Å²	34.6	7%	0.07	22%	0.217	C	C	.	.	H	α-helix	trans	-58.7	-51.1	172.8	-74.9	167.2	175	175	0	111.1	M138 V627 V628 N633 R634 Y647 E657	M138-K631 HydrophobicContact CB-CB 4.1Å; M138-K631 HydrophobicContact CB-CD 4.2Å; M138-K631 HydrophobicContact CB-CG 4.4Å; M138-K631 HydrophobicContact CE-CB 4.29Å; M138-K631 HydrophobicContact CG-CB 4.2Å; M138-K631 HydrophobicContact SD-CB 3.6Å; V627-K631 HydrophobicContact CG1-CD 4.23Å; V627-K631 WeakPolarHBondContact O-CB 3.28Å; V627-K631 VanDerWaalsContact O-CG 3.27Å; V627-K631 WeakPolarHBondContact O-CG 3.22Å; V627-K631 PolarHBondContact O-N 3.42Å; V628-K631 PolarHBondContact O-N 3.07Å; K631-N633 VanDerWaalsContact C-N 3.32Å; K631-N633 PolarHBondContact O-N 3.02Å; K631-R634 PolarHBondContact O-N 2.86Å; K631-R634 VanDerWaalsContact O-N 3.15Å; K631-Y647 PolarHBondContact NZ-OH 2.91Å; K631-E657 IonicContact NZ-OE2 2.87Å; K631-E657 PolarHBondContact NZ-OE2 3.4Å
632	R	90.9	Very high	84.4	Confident	12 Å²	12	36 Å²	36	5%	0.045	22%	0.224	C	C	.	.	H	α-helix	trans	-57.4	-42.2	177.8	-74.6	175.8	175.2	-180	-2.4	112.2	M138 D199 W201 V628 S629 R634 L635 I644 E648	M138-R632 HydrophobicContact SD-CG 3.85Å; D199-R632 IonicContact OD2-CZ 3.6Å; D199-R632 IonicContact OD2-NH1 3.77Å; D199-R632 PolarHBondContact OD2-NH1 3Å; D199-R632 IonicContact OD2-NH2 2.66Å; D199-R632 PolarHBondContact OD2-NH2 3.42Å; W201-R632 HydrophobicContact CE3-CB 4.17Å; W201-R632 HydrophobicContact CH2-CB 3.82Å; W201-R632 HydrophobicContact CH2-CG 4.17Å; W201-R632 HydrophobicContact CZ2-CB 4.44Å; W201-R632 HydrophobicContact CZ2-CG 4.31Å; W201-R632 HydrophobicContact CZ3-CB 3.66Å; W201-R632 HydrophobicContact CZ3-CG 4.33Å; V628-R632 HydrophobicContact CG1-CG 4.34Å; V628-R632 WeakPolarHBondContact O-CB 3.49Å; V628-R632 VanDerWaalsContact O-CG 3.3Å; V628-R632 WeakPolarHBondContact O-CG 3.49Å; V628-R632 PolarHBondContact O-N 3.05Å; S629-R632 PolarHBondContact O-N 3.35Å; R632-R634 PolarHBondContact O-N 3.39Å; R632-R634 VanDerWaalsContact O-N 3.14Å; R632-L635 PolarHBondContact O-N 3.05Å; R632-L635 VanDerWaalsContact O-N 3.12Å; R632-I644 HydrophobicContact CG-CD1 4.14Å; R632-E648 IonicContact NH2-OE1 3.7Å
633	N	88.6	Confident	85.6	Confident	18 Å²	18	35 Å²	35	10%	0.096	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-16.9	180	-81.2	-29.8	0	0	0	114.9	S203 E204 N205 S629 A630 K631	S203-N633 WeakPolarHBondContact CA-OD1 3.39Å; S203-N633 WeakPolarHBondContact CB-OD1 3.44Å; S203-N633 PolarHBondContact OG-OD1 3.11Å; E204-N633 PolarHBondContact N-OD1 3.4Å; N205-N633 PolarHBondContact ND2-O 3.4Å; S629-N633 WeakPolarHBondContact O-CB 3.24Å; S629-N633 VanDerWaalsContact O-CG 3.27Å; S629-N633 PolarHBondContact O-N 3.39Å; S629-N633 PolarHBondContact O-ND2 3.01Å; A630-N633 PolarHBondContact O-N 3.01Å; K631-N633 VanDerWaalsContact C-N 3.32Å; K631-N633 PolarHBondContact O-N 3.02Å
634	R	89	Confident	87	Confident	115 Å²	115	33 Å²	33	43%	0.434	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-13.7	177.4	-65.1	-176.4	-61.1	-127.9	8.8	113.5	P140 A630 K631 R632	P140-R634 HydrophobicContact CG-CB 3.76Å; P140-R634 WeakPolarHBondContact CG-O 3.28Å; A630-R634 WeakPolarHBondContact O-CG 3.36Å; A630-R634 PolarHBondContact O-N 3.15Å; K631-R634 PolarHBondContact O-N 2.86Å; K631-R634 VanDerWaalsContact O-N 3.15Å; R632-R634 PolarHBondContact O-N 3.39Å; R632-R634 VanDerWaalsContact O-N 3.14Å
635	L	89.9	Confident	88.2	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	20%	0.198	C	C	.	.	S	Bend	trans	-76.5	137.7	-175	-58.4	-170.4	0	0	0	111.5	M138 Q206 R632 V640 Q643 I644	M138-L635 HydrophobicContact CG-CD1 3.85Å; M138-L635 HydrophobicContact CG-CD2 4.1Å; M138-L635 HydrophobicContact CG-CG 4.32Å; M138-L635 HydrophobicContact SD-CD1 4Å; Q206-L635 PolarHBondContact NE2-O 3.48Å; R632-L635 PolarHBondContact O-N 3.05Å; R632-L635 VanDerWaalsContact O-N 3.12Å; L635-V640 HydrophobicContact CB-CG2 3.98Å; L635-Q643 HydrophobicContact CD1-CB 4.06Å; L635-I644 HydrophobicContact CD1-CD1 4.48Å; L635-I644 HydrophobicContact CD1-CG1 4Å
636	A	88	Confident	89.3	Confident	41 Å²	41	31.4 Å²	31.4	34%	0.339	19%	0.186	S	C	.	.			trans	-73.8	141.2	174.2	0	0	0	0	0	110.5	A638 H639 V640	A636-A638 PolarHBondContact O-N 3.47Å; A636-H639 PolarHBondContact O-N 2.75Å; A636-V640 WeakPolarHBondContact O-CG2 3.3Å; A636-V640 PolarHBondContact O-N 3.29Å
637	P	89.7	Confident	90.1	Very high	57 Å²	57	28.7 Å²	28.7	37%	0.37	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-48.1	-41.1	-176	-28.7	30.3	0	0	0	114.6	Q206 H639 V640	Q206-P637 VanDerWaalsContact OE1-CG 3.24Å; P637-H639 PolarHBondContact O-N 3.03Å; P637-H639 VanDerWaalsContact O-N 3.11Å; P637-V640 PolarHBondContact O-N 3.39Å
638	A	88.6	Confident	90.5	Very high	86 Å²	86	29.2 Å²	29.2	71%	0.711	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-65	-13.4	-178.5	0	0	0	0	0	114.7	A636	A636-A638 PolarHBondContact O-N 3.47Å
639	H	88.4	Confident	91	Very high	43 Å²	43	30 Å²	30	20%	0.199	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-123.3	-1.3	-175.8	-58.4	-52.6	0	0	0	113.3	A636 P637 D641 Q643	A636-H639 PolarHBondContact O-N 2.75Å; P637-H639 PolarHBondContact O-N 3.03Å; P637-H639 VanDerWaalsContact O-N 3.11Å; H639-D641 VanDerWaalsContact C-N 3.33Å; H639-D641 PolarHBondContact O-N 3.18Å; H639-Q643 HydrophobicContact CB-CG 4.17Å; H639-Q643 VanDerWaalsContact O-CB 3.28Å; H639-Q643 WeakPolarHBondContact O-CB 3.46Å; H639-Q643 WeakPolarHBondContact O-CG 3.44Å; H639-Q643 PolarHBondContact O-N 2.97Å
640	V	92.9	Very high	91.1	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-56.6	-47.4	-176.9	171.5	0	0	0	0	111	W201 Y210 T235 L635 A636 P637 I644	W201-V640 HydrophobicContact CH2-CG1 3.99Å; W201-V640 HydrophobicContact CZ2-CG1 3.9Å; Y210-V640 HydrophobicContact CD1-CG1 4.03Å; Y210-V640 HydrophobicContact CE1-CB 4.28Å; Y210-V640 HydrophobicContact CE1-CG1 4.01Å; Y210-V640 HydrophobicContact CE1-CG2 4.2Å; T235-V640 HydrophobicContact CG2-CG1 3.71Å; L635-V640 HydrophobicContact CB-CG2 3.98Å; A636-V640 WeakPolarHBondContact O-CG2 3.3Å; A636-V640 PolarHBondContact O-N 3.29Å; P637-V640 PolarHBondContact O-N 3.39Å; V640-I644 HydrophobicContact CG1-CD1 3.6Å; V640-I644 HydrophobicContact CG1-CG1 4.47Å; V640-I644 VanDerWaalsContact O-CB 3.29Å; V640-I644 WeakPolarHBondContact O-CB 3.49Å; V640-I644 VanDerWaalsContact O-CG1 3.27Å; V640-I644 WeakPolarHBondContact O-CG1 3.33Å; V640-I644 PolarHBondContact O-N 2.91Å
641	D	95.3	Very high	90.4	Very high	45 Å²	45	29.7 Å²	29.7	24%	0.241	16%	0.162	C	C	.	.	H	α-helix	trans	-60.4	-60.1	-179.6	-168.8	17.8	0	0	0	112	K234 T235 H639 Q643 I644 F645	K234-D641 WeakPolarHBondContact CA-OD1 3.43Å; T235-D641 PolarHBondContact N-OD1 3.42Å; T235-D641 VanDerWaalsContact O-CB 3.26Å; T235-D641 WeakPolarHBondContact O-CB 3.35Å; T235-D641 VanDerWaalsContact O-CG 3.3Å; H639-D641 VanDerWaalsContact C-N 3.33Å; H639-D641 PolarHBondContact O-N 3.18Å; D641-Q643 VanDerWaalsContact C-N 3.33Å; D641-Q643 PolarHBondContact O-N 3.26Å; D641-I644 PolarHBondContact O-N 3.45Å; D641-F645 WeakPolarHBondContact O-CB 3.37Å; D641-F645 PolarHBondContact O-N 3.36Å
642	E	94.2	Very high	89	Confident	53 Å²	53	33.8 Å²	33.8	25%	0.248	19%	0.185	C	C	.	.	H	α-helix	trans	-59.7	-41.7	-177.2	-66.7	-178.8	170.4	0	0	112.6	I173 Y177 L646	I173-E642 HydrophobicContact CG2-CB 4.47Å; Y177-E642 HydrophobicContact CD2-CB 4.04Å; Y177-E642 HydrophobicContact CD2-CG 4.03Å; Y177-E642 HydrophobicContact CE2-CG 4.31Å; Y177-E642 HydrophobicContact CG-CG 4.29Å; E642-L646 WeakPolarHBondContact O-CB 3.31Å; E642-L646 VanDerWaalsContact O-CG 3.26Å; E642-L646 WeakPolarHBondContact O-CG 3.49Å; E642-L646 PolarHBondContact O-N 3.33Å
643	Q	93.3	Very high	87.1	Confident	3 Å²	3	37 Å²	37	1%	0.014	22%	0.222	C	C	.	.	H	α-helix	trans	-74.6	-39.3	-176.9	-68.5	-168.8	-65.9	0	0	112.5	Y139 L635 H639 D641 Y647	Y139-Q643 PolarHBondContact O-NE2 3.3Å; L635-Q643 HydrophobicContact CD1-CB 4.06Å; H639-Q643 HydrophobicContact CB-CG 4.17Å; H639-Q643 VanDerWaalsContact O-CB 3.28Å; H639-Q643 WeakPolarHBondContact O-CB 3.46Å; H639-Q643 WeakPolarHBondContact O-CG 3.44Å; H639-Q643 PolarHBondContact O-N 2.97Å; D641-Q643 VanDerWaalsContact C-N 3.33Å; D641-Q643 PolarHBondContact O-N 3.26Å; Q643-Y647 VanDerWaalsContact O-CB 3.26Å; Q643-Y647 WeakPolarHBondContact O-CB 3.25Å; Q643-Y647 PolarHBondContact O-N 3.13Å
644	I	94.5	Very high	85	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.6	-43.5	174.2	-68.2	174.7	0	0	0	109.8	M138 W201 T212 T235 R632 L635 V640 D641 L646 Y647 E648	M138-I644 HydrophobicContact SD-CG1 4.47Å; W201-I644 HydrophobicContact CH2-CD1 4.12Å; W201-I644 HydrophobicContact CZ2-CD1 3.45Å; W201-I644 VanDerWaalsContact CZ2-CD1 3.45Å; T212-I644 HydrophobicContact CG2-CG2 4.14Å; T235-I644 HydrophobicContact CG2-CD1 4Å; T235-I644 WeakPolarHBondContact OG1-CG2 3.26Å; R632-I644 HydrophobicContact CG-CD1 4.14Å; L635-I644 HydrophobicContact CD1-CD1 4.48Å; L635-I644 HydrophobicContact CD1-CG1 4Å; V640-I644 HydrophobicContact CG1-CD1 3.6Å; V640-I644 HydrophobicContact CG1-CG1 4.47Å; V640-I644 VanDerWaalsContact O-CB 3.29Å; V640-I644 WeakPolarHBondContact O-CB 3.49Å; V640-I644 VanDerWaalsContact O-CG1 3.27Å; V640-I644 WeakPolarHBondContact O-CG1 3.33Å; V640-I644 PolarHBondContact O-N 2.91Å; D641-I644 PolarHBondContact O-N 3.45Å; I644-L646 VanDerWaalsContact C-N 3.3Å; I644-L646 PolarHBondContact O-N 3.39Å; I644-Y647 WeakPolarHBondContact O-CB 3.44Å; I644-Y647 PolarHBondContact O-N 3.36Å; I644-E648 HydrophobicContact CG2-CG 3.84Å; I644-E648 WeakPolarHBondContact O-CB 3.4Å; I644-E648 WeakPolarHBondContact O-CG 3.43Å; I644-E648 PolarHBondContact O-N 3.15Å
645	F	96	Very high	83.4	Confident	0 Å²	0	42 Å²	42	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-53.1	-49.3	174.5	175.8	-86.5	0	0	0	111.5	Y177 I180 R181 V184 C232 W258 D641 N649	Y177-F645 HydrophobicContact CD2-CB 4.15Å; Y177-F645 AromaticContact CD2-CD1 3.33Å; Y177-F645 HydrophobicContact CD2-CD1 3.33Å; Y177-F645 AromaticContact CD2-CE1 3.93Å; Y177-F645 HydrophobicContact CD2-CE1 3.93Å; Y177-F645 AromaticContact CD2-CG 3.86Å; Y177-F645 HydrophobicContact CD2-CG 3.86Å; Y177-F645 HydrophobicContact CE2-CB 3.78Å; Y177-F645 AromaticContact CE2-CD1 3.37Å; Y177-F645 HydrophobicContact CE2-CD1 3.37Å; Y177-F645 HydrophobicContact CE2-CD2 4.05Å; Y177-F645 AromaticContact CE2-CE1 3.95Å; Y177-F645 HydrophobicContact CE2-CE1 3.95Å; Y177-F645 AromaticContact CE2-CG 3.44Å; Y177-F645 HydrophobicContact CE2-CG 3.44Å; Y177-F645 VanDerWaalsContact CE2-CG 3.44Å; Y177-F645 HydrophobicContact CG-CD1 4.37Å; I180-F645 HydrophobicContact CB-CE1 4.04Å; I180-F645 HydrophobicContact CG2-CE1 3.73Å; I180-F645 HydrophobicContact CG2-CZ 4.16Å; R181-F645 HydrophobicContact CB-CE1 4.41Å; R181-F645 HydrophobicContact CB-CZ 4.16Å; V184-F645 HydrophobicContact CG2-CZ 4.39Å; C232-F645 WeakPolarHBondContact O-CD2 3.45Å; C232-F645 WeakPolarHBondContact O-CE2 3.36Å; W258-F645 AromaticContact CH2-CE2 3.56Å; W258-F645 HydrophobicContact CH2-CE2 3.56Å; W258-F645 AromaticContact CH2-CZ 3.83Å; W258-F645 HydrophobicContact CH2-CZ 3.83Å; W258-F645 HydrophobicContact CZ2-CD2 4.47Å; W258-F645 AromaticContact CZ2-CE2 3.64Å; W258-F645 HydrophobicContact CZ2-CE2 3.64Å; W258-F645 HydrophobicContact CZ2-CZ 4.31Å; D641-F645 WeakPolarHBondContact O-CB 3.37Å; D641-F645 PolarHBondContact O-N 3.36Å; F645-N649 VanDerWaalsContact CD2-ND2 3.27Å; F645-N649 WeakPolarHBondContact CD2-ND2 3.49Å; F645-N649 WeakPolarHBondContact CE2-ND2 3.47Å; F645-N649 VanDerWaalsContact CZ-ND2 3.31Å; F645-N649 WeakPolarHBondContact CZ-ND2 3.27Å; F645-N649 VanDerWaalsContact O-CB 3.26Å; F645-N649 WeakPolarHBondContact O-CB 3.24Å; F645-N649 PolarHBondContact O-N 3.47Å; F645-N649 VanDerWaalsContact O-N 3.11Å; F645-N649 PolarHBondContact O-ND2 3.08Å
646	L	95.2	Very high	81.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.7	-47.1	178.2	-76.5	173	0	0	0	111.4	C135 I173 K176 I180 E642 I644 E648 N649 T650	C135-L646 HydrophobicContact CB-CB 4.07Å; C135-L646 HydrophobicContact CB-CD1 4.27Å; I173-L646 HydrophobicContact CG2-CD1 3.88Å; K176-L646 HydrophobicContact CB-CD1 4.47Å; K176-L646 HydrophobicContact CB-CD2 4.35Å; K176-L646 HydrophobicContact CG-CD2 3.88Å; I180-L646 HydrophobicContact CB-CD2 4.26Å; I180-L646 HydrophobicContact CG1-CD2 3.92Å; E642-L646 WeakPolarHBondContact O-CB 3.31Å; E642-L646 VanDerWaalsContact O-CG 3.26Å; E642-L646 WeakPolarHBondContact O-CG 3.49Å; E642-L646 PolarHBondContact O-N 3.33Å; I644-L646 VanDerWaalsContact C-N 3.3Å; I644-L646 PolarHBondContact O-N 3.39Å; L646-E648 PolarHBondContact O-N 3.03Å; L646-N649 PolarHBondContact O-N 3.28Å; L646-T650 HydrophobicContact CD2-CG2 4.32Å; L646-T650 VanDerWaalsContact O-CB 3.27Å; L646-T650 WeakPolarHBondContact O-CB 3.48Å; L646-T650 VanDerWaalsContact O-CG2 3.27Å; L646-T650 WeakPolarHBondContact O-CG2 3.25Å; L646-T650 PolarHBondContact O-N 3.48Å; L646-T650 PolarHBondContact O-OG1 2.96Å
647	Y	92.4	Very high	80.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-54.1	-52.2	178.6	-179	-101.8	0	0	0	112.8	C135 E136 M138 K631 Q643 I644 N649 R651 E657	C135-Y647 WeakPolarHBondContact O-CA 3.39Å; E136-Y647 WeakPolarHBondContact O-CD2 3.46Å; E136-Y647 WeakPolarHBondContact O-CE2 3.36Å; M138-Y647 HydrophobicContact CB-CD2 3.59Å; M138-Y647 HydrophobicContact CB-CE2 3.76Å; M138-Y647 HydrophobicContact CB-CG 4.18Å; M138-Y647 HydrophobicContact CE-CD1 3.16Å; M138-Y647 HydrophobicContact CE-CD2 3.66Å; M138-Y647 HydrophobicContact CE-CE1 3.22Å; M138-Y647 HydrophobicContact CE-CE2 3.67Å; M138-Y647 HydrophobicContact CE-CG 3.34Å; M138-Y647 VanDerWaalsContact CE-CZ 3.42Å; M138-Y647 HydrophobicContact CG-CD2 4.38Å; K631-Y647 PolarHBondContact NZ-OH 2.91Å; Q643-Y647 VanDerWaalsContact O-CB 3.26Å; Q643-Y647 WeakPolarHBondContact O-CB 3.25Å; Q643-Y647 PolarHBondContact O-N 3.13Å; I644-Y647 WeakPolarHBondContact O-CB 3.44Å; I644-Y647 PolarHBondContact O-N 3.36Å; Y647-N649 PolarHBondContact O-N 3.12Å; Y647-R651 VanDerWaalsContact O-CG 3.24Å; Y647-R651 WeakPolarHBondContact O-CG 3.49Å; Y647-R651 PolarHBondContact O-N 3.48Å; Y647-R651 PolarHBondContact OH-NH1 2.92Å; Y647-E657 VanDerWaalsContact CZ-OE1 3.25Å; Y647-E657 PolarHBondContact OH-OE1 3.06Å; Y647-E657 PolarHBondContact OH-OE2 3.02Å
648	E	90.4	Very high	79.5	Confident	30 Å²	30	46.2 Å²	46.2	14%	0.14	29%	0.291	C	S	.	.	H	α-helix	trans	-70.8	-32.3	-175.3	-59.9	-72.1	177.7	0	0	112.3	C232 R619 R632 I644 L646	C232-E648 HydrophobicContact CB-CB 3.43Å; C232-E648 VanDerWaalsContact CB-CB 3.43Å; C232-E648 HydrophobicContact CB-CG 3.89Å; R619-E648 IonicContact CZ-OE1 2.97Å; R619-E648 IonicContact CZ-OE2 2.61Å; R619-E648 IonicContact NH1-OE1 3.14Å; R619-E648 PolarHBondContact NH1-OE1 3.41Å; R619-E648 IonicContact NH1-OE2 2.78Å; R619-E648 PolarHBondContact NH1-OE2 3.05Å; R619-E648 VanDerWaalsContact NH2-CD 3.25Å; R619-E648 IonicContact NH2-OE1 3.49Å; R619-E648 PolarHBondContact NH2-OE1 2.74Å; R619-E648 IonicContact NH2-OE2 3.58Å; R619-E648 PolarHBondContact NH2-OE2 3.19Å; R632-E648 IonicContact NH2-OE1 3.7Å; I644-E648 HydrophobicContact CG2-CG 3.84Å; I644-E648 WeakPolarHBondContact O-CB 3.4Å; I644-E648 WeakPolarHBondContact O-CG 3.43Å; I644-E648 PolarHBondContact O-N 3.15Å; L646-E648 PolarHBondContact O-N 3.03Å
649	N	92.9	Very high	78.2	Confident	18 Å²	18	47.5 Å²	47.5	10%	0.096	28%	0.283	C	S	.	.	H	α-helix	trans	-93	-16.8	-175.7	-68.9	-46.4	0	0	0	114.6	I180 R231 C232 F645 L646 Y647	I180-N649 HydrophobicContact CG2-CB 3.71Å; R231-N649 WeakPolarHBondContact CA-OD1 3.39Å; R231-N649 WeakPolarHBondContact CB-OD1 3.44Å; R231-N649 WeakPolarHBondContact CD-OD1 3.47Å; C232-N649 PolarHBondContact N-OD1 3.37Å; C232-N649 PolarHBondContact O-ND2 3.38Å; F645-N649 VanDerWaalsContact CD2-ND2 3.27Å; F645-N649 WeakPolarHBondContact CD2-ND2 3.49Å; F645-N649 WeakPolarHBondContact CE2-ND2 3.47Å; F645-N649 VanDerWaalsContact CZ-ND2 3.31Å; F645-N649 WeakPolarHBondContact CZ-ND2 3.27Å; F645-N649 VanDerWaalsContact O-CB 3.26Å; F645-N649 WeakPolarHBondContact O-CB 3.24Å; F645-N649 PolarHBondContact O-N 3.47Å; F645-N649 VanDerWaalsContact O-N 3.11Å; F645-N649 PolarHBondContact O-ND2 3.08Å; L646-N649 PolarHBondContact O-N 3.28Å; Y647-N649 PolarHBondContact O-N 3.12Å
650	T	86.6	Confident	76.6	Confident	30 Å²	30	50.7 Å²	50.7	18%	0.184	30%	0.301	C	S	.	.	H	α-helix	trans	-99.8	-18.1	-179.7	58	0	0	0	0	113.9	E136 I180 L646	E136-T650 VanDerWaalsContact CG-OG1 3.24Å; E136-T650 WeakPolarHBondContact CG-OG1 3.24Å; I180-T650 HydrophobicContact CD1-CG2 3.99Å; I180-T650 HydrophobicContact CG1-CG2 3.89Å; L646-T650 HydrophobicContact CD2-CG2 4.32Å; L646-T650 VanDerWaalsContact O-CB 3.27Å; L646-T650 WeakPolarHBondContact O-CB 3.48Å; L646-T650 VanDerWaalsContact O-CG2 3.27Å; L646-T650 WeakPolarHBondContact O-CG2 3.25Å; L646-T650 PolarHBondContact O-N 3.48Å; L646-T650 PolarHBondContact O-OG1 2.96Å
651	R	72.9	Confident	74.6	Confident	54 Å²	54	58.4 Å²	58.4	20%	0.204	34%	0.337	C	S	.	.	S	Bend	trans	-70.6	134.1	174.1	-75.2	178.4	67.1	120.5	4.7	110.3	Y647 G653 E655 E657	Y647-R651 VanDerWaalsContact O-CG 3.24Å; Y647-R651 WeakPolarHBondContact O-CG 3.49Å; Y647-R651 PolarHBondContact O-N 3.48Å; Y647-R651 PolarHBondContact OH-NH1 2.92Å; R651-G653 PolarHBondContact O-N 3.3Å; R651-E655 PolarHBondContact NH2-O 3.24Å; R651-E657 IonicContact CZ-OE1 2.92Å; R651-E657 IonicContact CZ-OE2 2.75Å; R651-E657 IonicContact NE-OE1 2.55Å; R651-E657 IonicContact NH1-OE1 3.8Å; R651-E657 PolarHBondContact NH1-OE1 3.13Å; R651-E657 IonicContact NH1-OE2 2.85Å; R651-E657 PolarHBondContact NH1-OE2 3.43Å; R651-E657 VanDerWaalsContact NH2-CD 3.29Å; R651-E657 IonicContact NH2-OE1 3.79Å; R651-E657 PolarHBondContact NH2-OE1 2.79Å; R651-E657 IonicContact NH2-OE2 2.69Å; R651-E657 PolarHBondContact NH2-OE2 2.95Å
652	N	58.2	Low	72.4	Confident	101 Å²	101	63 Å²	63	54%	0.54	36%	0.362	S	S	.	.			trans	-65.2	118.5	165.7	-74.5	-28	0	0	0	107.6	S654 E655	N652-S654 PolarHBondContact O-N 3.03Å; N652-E655 HydrophobicContact CB-CG 4.45Å; N652-E655 PolarHBondContact O-N 3.01Å
653	G	51.2	Low	70.4	Confident	81 Å²	81	66.5 Å²	66.5	84%	0.835	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	2	-179.2	0	0	0	0	0	115.6	R651	R651-G653 PolarHBondContact O-N 3.3Å
654	S	45.3	Very low	68.5	Low	112 Å²	112	66.8 Å²	66.8	78%	0.783	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-9.3	173.1	57.6	0	0	0	0	114.4	N652	N652-S654 PolarHBondContact O-N 3.03Å
655	E	54.8	Low	66.7	Low	125 Å²	125	73.4 Å²	73.4	58%	0.584	41%	0.412	S	S	*	.	S	Bend	trans	-91.1	110.6	178.3	-75.9	178.9	-170.5	0	0	110.2	R651 N652	R651-E655 PolarHBondContact NH2-O 3.24Å; N652-E655 HydrophobicContact CB-CG 4.45Å; N652-E655 PolarHBondContact O-N 3.01Å
656	A	58.8	Low	64.6	Low	82 Å²	82	75.4 Å²	75.4	68%	0.678	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-53.4	141.7	173.4	0	0	0	0	0	110.3
657	E	67.6	Low	62.6	Low	21 Å²	21	78.9 Å²	78.9	10%	0.098	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-58.3	135.5	163.9	-71.1	-73.7	176.3	0	0	108.5	V628 K631 Y647 R651 E659	V628-E657 HydrophobicContact CG2-CG 4.21Å; K631-E657 IonicContact NZ-OE2 2.87Å; K631-E657 PolarHBondContact NZ-OE2 3.4Å; Y647-E657 VanDerWaalsContact CZ-OE1 3.25Å; Y647-E657 PolarHBondContact OH-OE1 3.06Å; Y647-E657 PolarHBondContact OH-OE2 3.02Å; R651-E657 IonicContact CZ-OE1 2.92Å; R651-E657 IonicContact CZ-OE2 2.75Å; R651-E657 IonicContact NE-OE1 2.55Å; R651-E657 IonicContact NH1-OE1 3.8Å; R651-E657 PolarHBondContact NH1-OE1 3.13Å; R651-E657 IonicContact NH1-OE2 2.85Å; R651-E657 PolarHBondContact NH1-OE2 3.43Å; R651-E657 VanDerWaalsContact NH2-CD 3.29Å; R651-E657 IonicContact NH2-OE1 3.79Å; R651-E657 PolarHBondContact NH2-OE1 2.79Å; R651-E657 IonicContact NH2-OE2 2.69Å; R651-E657 PolarHBondContact NH2-OE2 2.95Å; E657-E659 PolarHBondContact O-N 3.47Å; E657-E659 VanDerWaalsContact O-N 3.17Å
658	P	60.8	Low	60.2	Low	85 Å²	85	85.2 Å²	85.2	55%	0.552	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-57.1	126	169.5	23.9	-30.8	0	0	0	108
659	E	59.7	Low	57.8	Low	113 Å²	113	92.5 Å²	92.5	53%	0.528	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-85.2	144.3	172.9	-58.6	-164.8	-177.8	0	0	108.6	S623 E657 E661	S623-E659 VanDerWaalsContact OG-CG 3.31Å; S623-E659 WeakPolarHBondContact OG-CG 3.41Å; S623-E659 PolarHBondContact OG-OE2 3.15Å; S623-E659 VanDerWaalsContact OG-OE2 3.07Å; E657-E659 PolarHBondContact O-N 3.47Å; E657-E659 VanDerWaalsContact O-N 3.17Å; E659-E661 VanDerWaalsContact C-N 3.33Å; E659-E661 PolarHBondContact O-N 2.91Å
660	D	55.9	Low	55.1	Low	109 Å²	109	100.6 Å²	100.6	58%	0.583	56%	0.56	S	S	*	*			trans	-75.3	90.4	170.1	-68.4	-35.4	0	0	0	107.3	D662	D660-D662 PolarHBondContact O-N 2.84Å
661	E	51.3	Low	52.6	Low	165 Å²	165	108 Å²	108	77%	0.771	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-9.1	-177.1	-69.3	-177.9	178	0	0	113.5	E659 E663	E659-E661 VanDerWaalsContact C-N 3.33Å; E659-E661 PolarHBondContact O-N 2.91Å; E661-E663 PolarHBondContact O-N 2.88Å; E661-E663 VanDerWaalsContact O-N 3.16Å
662	D	49	Very low	50.6	Low	141 Å²	141	112.6 Å²	112.6	75%	0.754	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-3.2	-175.2	-68.3	-23.6	0	0	0	114.2	D660 G664	D660-D662 PolarHBondContact O-N 2.84Å; D662-G664 PolarHBondContact O-N 3.06Å
663	E	52.4	Low	49.2	Very low	127 Å²	127	115 Å²	115	59%	0.593	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	89.5	179.5	-72.5	-162.8	174.6	0	0	112.6	E661	E661-E663 PolarHBondContact O-N 2.88Å; E661-E663 VanDerWaalsContact O-N 3.16Å
664	G	52.4	Low	48	Very low	9 Å²	9	118.6 Å²	118.6	9%	0.093	62%	0.621	C	S	.	*	T	Hydrogen-bonded Turn	trans	123.5	0.1	164.5	0	0	0	0	0	115.9	M345 D662	M345-G664 PolarHBondContact N-O 3.25Å; D662-G664 PolarHBondContact O-N 3.06Å
665	E	55.8	Low	47	Very low	138 Å²	138	119.9 Å²	119.9	65%	0.645	62%	0.619	S	S	*	*			trans	-84.6	143.4	168.7	-62.8	-164	166.3	0	0	111.1	M345 G667	M345-E665 WeakPolarHBondContact CE-O 3.32Å; E665-G667 PolarHBondContact O-N 3.06Å
666	W	52.6	Low	45.8	Very low	43 Å²	43	121.7 Å²	121.7	16%	0.163	63%	0.632	C	S	.	*			trans	-67.3	-15.8	179.1	-70.4	99.1	0	0	0	113.4	M329 L332 H343 C344 M345 L668	M329-W666 HydrophobicContact CG-CE3 4.43Å; M329-W666 HydrophobicContact CG-CH2 3.64Å; M329-W666 HydrophobicContact CG-CZ3 3.28Å; M329-W666 VanDerWaalsContact O-CH2 3.28Å; M329-W666 WeakPolarHBondContact O-CH2 3.4Å; M329-W666 HydrophobicContact SD-CZ3 4Å; L332-W666 HydrophobicContact CD2-CZ2 4.46Å; H343-W666 AromaticContact CD2-CD1 3.26Å; H343-W666 AromaticContact CD2-CG 3.89Å; H343-W666 AromaticContact CD2-NE1 3.64Å; H343-W666 AromaticContact CE1-CD1 3.45Å; H343-W666 VanDerWaalsContact CE1-CD1 3.45Å; H343-W666 AromaticContact CE1-CD2 3.72Å; H343-W666 AromaticContact CE1-CE2 3.37Å; H343-W666 AromaticContact CE1-CG 3.78Å; H343-W666 AromaticContact CE1-CZ2 3.97Å; H343-W666 AromaticContact CE1-NE1 3.16Å; H343-W666 PolarHBondContact CE1-NE1 2.98Å; H343-W666 AromaticContact CG-CD1 3.52Å; H343-W666 AromaticContact CG-NE1 3.44Å; H343-W666 AromaticContact ND1-CD1 3.65Å; H343-W666 AromaticContact ND1-CE2 3.71Å; H343-W666 AromaticContact ND1-NE1 3.15Å; H343-W666 PolarHBondContact ND1-NE1 2.94Å; H343-W666 VanDerWaalsContact ND1-NE1 3.15Å; H343-W666 AromaticContact NE2-CD1 3.24Å; H343-W666 AromaticContact NE2-CD2 3.84Å; H343-W666 AromaticContact NE2-CE2 3.9Å; H343-W666 AromaticContact NE2-CG 3.45Å; H343-W666 AromaticContact NE2-NE1 3.51Å; H343-W666 PolarHBondContact O-NE1 3.37Å; C344-W666 WeakPolarHBondContact O-CZ2 3.37Å; M345-W666 HydrophobicContact CG-CD2 3.9Å; M345-W666 HydrophobicContact CG-CE3 3.98Å; M345-W666 HydrophobicContact CG-CG 4.47Å; M345-W666 HydrophobicContact CG-CH2 4.26Å; M345-W666 HydrophobicContact CG-CZ2 4.19Å; M345-W666 HydrophobicContact CG-CZ3 4.17Å; W666-L668 HydrophobicContact CB-CB 4.27Å; W666-L668 HydrophobicContact CB-CD1 4.47Å; W666-L668 HydrophobicContact CB-CG 4.46Å; W666-L668 PolarHBondContact O-N 3.4Å
667	G	52.7	Low	44.5	Very low	73 Å²	73	124.8 Å²	124.8	75%	0.753	64%	0.637	S	S	*	*	S	Bend	trans	63.7	18.7	-172.4	0	0	0	0	0	113.5	E665	E665-G667 PolarHBondContact O-N 3.06Å
668	L	43.2	Very low	42.6	Very low	132 Å²	132	131.6 Å²	131.6	69%	0.691	67%	0.674	S	S	*	*			trans	-113.6	3.1	-173	-70.9	175	0	0	0	114.5	W666 Q670	W666-L668 HydrophobicContact CB-CB 4.27Å; W666-L668 HydrophobicContact CB-CD1 4.47Å; W666-L668 HydrophobicContact CB-CG 4.46Å; W666-L668 PolarHBondContact O-N 3.4Å; L668-Q670 VanDerWaalsContact C-N 3.3Å; L668-Q670 PolarHBondContact O-N 3.38Å
669	E	39.3	Very low	41	Very low	183 Å²	183	133.2 Å²	133.2	86%	0.855	69%	0.687	S	S	*	*			trans	-86.7	70.8	174.7	-68.6	-165.8	178	0	0	112
670	Q	35.7	Very low	39.6	Very low	189 Å²	189	134.1 Å²	134.1	88%	0.883	70%	0.7	S	S	*	*			trans	-135.5	53.3	150.4	-92.5	-169.8	7.8	0	0	109.9	L668	L668-Q670 VanDerWaalsContact C-N 3.3Å; L668-Q670 PolarHBondContact O-N 3.38Å
671	E	34.5	Very low	38.2	Very low	185 Å²	185	136.1 Å²	136.1	86%	0.864	71%	0.711	S	S	*	*			trans	-93.9	99.3	149.1	-77.8	-167.9	168.7	0	0	107.5	I673	E671-I673 PolarHBondContact O-N 2.65Å
672	Q	32.4	Very low	37.1	Very low	151 Å²	151	135 Å²	135	71%	0.706	72%	0.715	S	S	*	*			trans	-42.5	114.9	165.3	-74	171.5	-26.6	0	0	108.8	F674	Q672-F674 HydrophobicContact CB-CD2 3.98Å; Q672-F674 HydrophobicContact CB-CE2 4.23Å; Q672-F674 PolarHBondContact O-N 3.37Å
673	I	26.8	Very low	35.9	Very low	150 Å²	150	134.8 Å²	134.8	77%	0.769	71%	0.714	S	S	*	*			trans	-64	84.5	158.1	-60.3	172.5	0	0	0	105.6	E671 N675	E671-I673 PolarHBondContact O-N 2.65Å; I673-N675 VanDerWaalsContact C-N 3.3Å; I673-N675 PolarHBondContact O-N 3.29Å
674	F	26.8	Very low	34.7	Very low	157 Å²	157	135 Å²	135	69%	0.689	72%	0.719	S	S	*	*			trans	-67.3	100.8	156.5	-92	-76.7	0	0	0	105.8	Q672 L676	Q672-F674 HydrophobicContact CB-CD2 3.98Å; Q672-F674 HydrophobicContact CB-CE2 4.23Å; Q672-F674 PolarHBondContact O-N 3.37Å; F674-L676 PolarHBondContact O-N 2.97Å
675	N	25.5	Very low	33.4	Very low	140 Å²	140	140.4 Å²	140.4	75%	0.749	75%	0.746	S	S	*	*			trans	-56.9	97.2	158.6	-82.3	-34.2	0	0	0	107.4	I673 N677	I673-N675 VanDerWaalsContact C-N 3.3Å; I673-N675 PolarHBondContact O-N 3.29Å; N675-N677 PolarHBondContact O-N 3.43Å
676	L	28.7	Very low	32	Very low	163 Å²	163	141 Å²	141	85%	0.853	75%	0.747	S	S	*	*			trans	-69.3	76.5	162.3	-92.5	154.7	0	0	0	107.8	F674	F674-L676 PolarHBondContact O-N 2.97Å
677	N	31.1	Very low	30.8	Very low	146 Å²	146	146.1 Å²	146.1	78%	0.781	77%	0.771	S	S	*	*			trans	-169.3	79.8	154.9	-95.5	-13.3	0	0	0	107.6	N675	N675-N677 PolarHBondContact O-N 3.43Å
678	D	27.8	Very low	29.5	Very low	164 Å²	164	147.8 Å²	147.8	88%	0.877	76%	0.762	S	S	*	*			trans	-165.4	99.8	136.1	-94.6	-21.9	0	0	0	109.1	V680	D678-V680 PolarHBondContact O-N 3.36Å
679	S	27.6	Very low	28.8	Very low	119 Å²	119	147.4 Å²	147.4	83%	0.832	76%	0.759	S	S	*	*			trans	-82.2	92	169.4	43.7	0	0	0	0	109.7
680	V	29.6	Very low	28.2	Very low	133 Å²	133	149.2 Å²	149.2	81%	0.806	76%	0.759	S	S	*	*			trans	-140.1	108.4	154.2	-174.7	0	0	0	0	111.2	D678	D678-V680 PolarHBondContact O-N 3.36Å
681	N	26.5	Very low	27.8	Very low	150 Å²	150	147.8 Å²	147.8	80%	0.802	76%	0.757	S	S	*	*			trans	-9.8	119.8	155.4	-74.9	-34	0	0	0	116.9
682	V	28.8	Very low	27.5	Very low	143 Å²	143	144.6 Å²	144.6	87%	0.867	76%	0.755	S	S	*	*				-147.2	110.3	121.1	-177.4	0	0	0	0	110.2
683	N	24.5	Very low	27.1	Very low	135 Å²	135	140.6 Å²	140.6	72%	0.722	75%	0.754	S	S	*	*			trans	-6.6	124.5	151.1	-91.7	-15.7	0	0	0	120.1
684	N	25.7	Very low	27.1	Very low	132 Å²	132	143.2 Å²	143.2	71%	0.706	76%	0.761	S	S	*	*				79.9	132.1	118.2	-92.7	-3.8	0	0	0	122.5
685	N	26.1	Very low	27.3	Very low	122 Å²	122	146 Å²	146	65%	0.652	79%	0.79	S	S	*	*			trans	97.4	124.5	147	-61.9	-10	0	0	0	116.1
686	F	25.8	Very low	27.4	Very low	151 Å²	151	146.3 Å²	146.3	66%	0.662	79%	0.792	S	S	*	*			cis	-170.7	138.2	16.9	-129.1	-127.9	0	0	0	108.2
687	F	28.4	Very low	27.3	Very low	151 Å²	151	145.4 Å²	145.4	66%	0.662	79%	0.788	S	S	*	*			trans	60.7	140.7	136.2	-80.5	-112.5	0	0	0	120.2
688	N	25.1	Very low	27.1	Very low	107 Å²	107	145.3 Å²	145.3	57%	0.572	79%	0.789	S	S	*	*			cis	176.7	149.5	-6.4	-129.8	-0.8	0	0	0	106.9
689	I	27.8	Very low	27	Very low	124 Å²	124	144.2 Å²	144.2	64%	0.636	78%	0.784	S	S	*	*			trans	70.5	132.7	135.3	-70.2	173.9	0	0	0	117.4
690	R	27.9	Very low	27	Very low	222 Å²	222	145.8 Å²	145.8	84%	0.838	78%	0.78	S	S	*	*			cis	-164.6	141	18.3	-130.6	166.8	-166	171.9	-3.6	109.8
691	D	26.1	Very low	26.8	Very low	159 Å²	159	146.7 Å²	146.7	85%	0.85	78%	0.779	S	S	*	*			trans	-61.7	143.1	147.7	-80.4	-48	0	0	0	111.4
692	S	27.9	Very low	26.8	Very low	118 Å²	118	146.4 Å²	146.4	83%	0.825	78%	0.777	S	S	*	*			trans	-146.5	116.1	148.5	54.5	0	0	0	0	108.1
693	G	24.9	Very low	26.7	Very low	67 Å²	67	146.7 Å²	146.7	69%	0.691	77%	0.77	S	S	*	*			trans	-81.6	167.4	-173.8	0	0	0	0	0	115.3
694	F	26.5	Very low	26.9	Very low	205 Å²	205	147.7 Å²	147.7	90%	0.899	77%	0.774	S	S	*	*			trans	31.8	109.7	142.8	-78.3	-86.7	0	0	0	119
695	V	30.3	Very low	27	Very low	214 Å²	214	149.1 Å²	149.1	100%	1.297	78%	0.78	S	S	*	*				-130	0	112.8	177.7	0	0	0	0	108.1

Retrieved 695 of 695 residues in 704.1 ms (Link to these results)

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