A0A5K4FC15_SCHMA Loading...

Large ribosomal subunit protein uL18

AlphaFold DB , UniProt , Accession A0A5K4FC15, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 299 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	54	Low	84.8	Confident	234 Å²	234	134 Å²	134	100%	1.153	71%	0.714	S	S	*	*				0	133.5	0	-71.1	-175.8	-125.7	0	0	108.6	I3	M1-I3 PolarHBondContact O-N 3.5Å
2	A	65.8	Low	85.7	Confident	102 Å²	102	129.8 Å²	129.8	84%	0.843	68%	0.682	S	S	*	*			trans	-64.9	119.7	173.6	0	0	0	0	0	109	V4	A2-V4 PolarHBondContact O-N 3.34Å
3	I	79.5	Confident	86.6	Confident	172 Å²	172	129.7 Å²	129.7	88%	0.882	67%	0.673	S	S	*	*	S	Bend	trans	-75.7	-14	-171	-59.9	170.5	0	0	0	111.7	M1	M1-I3 PolarHBondContact O-N 3.5Å
4	V	86.1	Confident	87.3	Confident	123 Å²	123	132.4 Å²	132.4	75%	0.745	68%	0.677	S	S	*	*	S	Bend	trans	-119.7	123.4	-174.8	-175.3	0	0	0	0	111.7	A2 L6	A2-V4 PolarHBondContact O-N 3.34Å; V4-L6 PolarHBondContact O-N 3.25Å
5	K	88.3	Confident	87.8	Confident	180 Å²	180	138.6 Å²	138.6	78%	0.783	69%	0.688	S	S	*	*			trans	-60.9	131.5	171.1	-178.6	176.9	-179.5	174.9	0	110.5	V7	K5-V7 PolarHBondContact O-N 3.45Å
6	L	88.3	Confident	88.3	Confident	126 Å²	126	136.3 Å²	136.3	66%	0.66	67%	0.673	S	S	*	*			trans	-66.7	103.1	175.8	-177.1	66.6	0	0	0	111.1	V4 N9	V4-L6 PolarHBondContact O-N 3.25Å; L6-N9 HydrophobicContact CD2-CB 4.42Å
7	V	91.3	Very high	88.8	Confident	109 Å²	109	138.1 Å²	138.1	66%	0.661	68%	0.679	S	S	*	*	S	Bend	trans	-73.6	-41.4	178.9	-179.7	0	0	0	0	111.9	K5 N9	K5-V7 PolarHBondContact O-N 3.45Å; V7-N9 PolarHBondContact O-N 3.35Å
8	K	94.1	Very high	89.3	Confident	143 Å²	143	134.8 Å²	134.8	62%	0.622	67%	0.668	S	S	*	*	S	Bend	trans	-85	60	-180	-66.9	-178.7	179.1	174.1	0	111.7	F13	K8-F13 HydrophobicContact CB-CE2 4.31Å; K8-F13 HydrophobicContact CB-CZ 4.33Å
9	N	94.1	Very high	89.7	Confident	62 Å²	62	135.4 Å²	135.4	33%	0.332	67%	0.667	S	S	.	*			trans	-88.1	178.5	-179.3	65.9	16.5	0	0	0	112.7	L6 V7 A11 Y12 F13	L6-N9 HydrophobicContact CD2-CB 4.42Å; V7-N9 PolarHBondContact O-N 3.35Å; N9-A11 PolarHBondContact O-N 3.24Å; N9-A11 WeakPolarHBondContact OD1-CB 3.22Å; N9-A11 PolarHBondContact OD1-N 3.37Å; N9-A11 VanDerWaalsContact OD1-N 3.14Å; N9-Y12 WeakPolarHBondContact O-CB 3.49Å; N9-Y12 PolarHBondContact O-N 3.42Å; N9-Y12 VanDerWaalsContact O-N 3.15Å; N9-Y12 PolarHBondContact OD1-N 3.13Å; N9-F13 VanDerWaalsContact O-CD2 3.3Å; N9-F13 WeakPolarHBondContact O-CD2 3.38Å; N9-F13 PolarHBondContact O-N 3Å
10	K	95.9	Very high	90.1	Very high	170 Å²	170	135.7 Å²	135.7	74%	0.739	66%	0.664	S	S	*	*	H	α-helix	trans	-56.6	-35.2	176.6	-172.8	177.1	-178.3	178.7	0	112.4	K14	K10-K14 WeakPolarHBondContact O-CG 3.48Å; K10-K14 PolarHBondContact O-N 2.64Å
11	A	95.2	Very high	90.5	Very high	53 Å²	53	135.9 Å²	135.9	44%	0.438	66%	0.661	S	S	.	*	H	α-helix	trans	-68.6	-37.8	178.6	0	0	0	0	0	112.3	N9 K14 R15	N9-A11 PolarHBondContact O-N 3.24Å; N9-A11 WeakPolarHBondContact OD1-CB 3.22Å; N9-A11 PolarHBondContact OD1-N 3.37Å; N9-A11 VanDerWaalsContact OD1-N 3.14Å; A11-K14 PolarHBondContact O-N 2.6Å; A11-R15 PolarHBondContact O-N 3.22Å
12	Y	96.3	Very high	92.5	Very high	84 Å²	84	129.8 Å²	129.8	33%	0.329	63%	0.626	S	S	.	*	H	α-helix	trans	-57.2	-52.7	173.4	173.4	-88.5	0	0	0	111.2	N9 K14 R15 F16	N9-Y12 WeakPolarHBondContact O-CB 3.49Å; N9-Y12 PolarHBondContact O-N 3.42Å; N9-Y12 VanDerWaalsContact O-N 3.15Å; N9-Y12 PolarHBondContact OD1-N 3.13Å; Y12-K14 VanDerWaalsContact C-N 3.26Å; Y12-K14 PolarHBondContact O-N 2.79Å; Y12-R15 CarbonylContact O-C 3.58Å; Y12-R15 PolarHBondContact O-N 2.89Å; Y12-F16 HydrophobicContact CD1-CB 4.46Å; Y12-F16 HydrophobicContact CE1-CB 4.14Å; Y12-F16 AromaticContact CE1-CD2 3.68Å; Y12-F16 HydrophobicContact CE1-CD2 3.68Å; Y12-F16 HydrophobicContact CE1-CE2 4.3Å; Y12-F16 AromaticContact CE1-CG 3.99Å; Y12-F16 HydrophobicContact CE1-CG 3.99Å; Y12-F16 HydrophobicContact CE2-CD2 4.34Å; Y12-F16 AromaticContact CZ-CD2 3.47Å; Y12-F16 VanDerWaalsContact CZ-CD2 3.47Å; Y12-F16 AromaticContact CZ-CE2 3.91Å; Y12-F16 WeakPolarHBondContact O-CB 3.47Å; Y12-F16 PolarHBondContact O-N 3.44Å; Y12-F16 WeakPolarHBondContact OH-CD2 3.39Å; Y12-F16 WeakPolarHBondContact OH-CE2 3.1Å
13	F	96.5	Very high	94	Very high	128 Å²	128	131.8 Å²	131.8	56%	0.561	61%	0.611	S	S	*	*	H	α-helix	trans	-67.6	-24.6	-177.5	-68	-68.4	0	0	0	113.7	K8 N9 R15	K8-F13 HydrophobicContact CB-CE2 4.31Å; K8-F13 HydrophobicContact CB-CZ 4.33Å; N9-F13 VanDerWaalsContact O-CD2 3.3Å; N9-F13 WeakPolarHBondContact O-CD2 3.38Å; N9-F13 PolarHBondContact O-N 3Å; F13-R15 VanDerWaalsContact C-N 3.28Å; F13-R15 PolarHBondContact O-N 2.95Å
14	K	96.4	Very high	94.9	Very high	167 Å²	167	130.8 Å²	130.8	73%	0.726	60%	0.597	S	S	*	*	H	α-helix	trans	-66.5	-27.4	171.7	-77.7	-174.9	173.8	-166.6	0	113.2	K10 A11 Y12	K10-K14 WeakPolarHBondContact O-CG 3.48Å; K10-K14 PolarHBondContact O-N 2.64Å; A11-K14 PolarHBondContact O-N 2.6Å; Y12-K14 VanDerWaalsContact C-N 3.26Å; Y12-K14 PolarHBondContact O-N 2.79Å
15	R	95.4	Very high	95.4	Very high	226 Å²	226	128.9 Å²	128.9	85%	0.853	58%	0.579	S	S	*	*	H	α-helix	trans	-109.1	-2.4	-177.6	-60.6	179.5	-177.4	175.2	-0.1	113.2	A11 Y12 F13 Q17	A11-R15 PolarHBondContact O-N 3.22Å; Y12-R15 CarbonylContact O-C 3.58Å; Y12-R15 PolarHBondContact O-N 2.89Å; F13-R15 VanDerWaalsContact C-N 3.28Å; F13-R15 PolarHBondContact O-N 2.95Å; R15-Q17 PolarHBondContact O-N 3.35Å; R15-Q17 VanDerWaalsContact O-N 3.14Å
16	F	96.4	Very high	95.8	Very high	101 Å²	101	122.3 Å²	122.3	44%	0.443	56%	0.563	S	S	.	*			trans	-74.2	107.1	-174.7	-175.5	-107.9	0	0	0	111.2	Y12 V18	Y12-F16 HydrophobicContact CD1-CB 4.46Å; Y12-F16 HydrophobicContact CE1-CB 4.14Å; Y12-F16 AromaticContact CE1-CD2 3.68Å; Y12-F16 HydrophobicContact CE1-CD2 3.68Å; Y12-F16 HydrophobicContact CE1-CE2 4.3Å; Y12-F16 AromaticContact CE1-CG 3.99Å; Y12-F16 HydrophobicContact CE1-CG 3.99Å; Y12-F16 HydrophobicContact CE2-CD2 4.34Å; Y12-F16 AromaticContact CZ-CD2 3.47Å; Y12-F16 VanDerWaalsContact CZ-CD2 3.47Å; Y12-F16 AromaticContact CZ-CE2 3.91Å; Y12-F16 WeakPolarHBondContact O-CB 3.47Å; Y12-F16 PolarHBondContact O-N 3.44Å; Y12-F16 WeakPolarHBondContact OH-CD2 3.39Å; Y12-F16 WeakPolarHBondContact OH-CE2 3.1Å; F16-V18 HydrophobicContact CD1-CG1 4Å; F16-V18 HydrophobicContact CE1-CG1 3.83Å
17	Q	96.8	Very high	96.2	Very high	167 Å²	167	121.7 Å²	121.7	78%	0.78	56%	0.555	S	S	*	*			trans	-84	115.7	173.1	-167.8	-176.6	20.9	0	0	110.4	R15	R15-Q17 PolarHBondContact O-N 3.35Å; R15-Q17 VanDerWaalsContact O-N 3.14Å
18	V	96.8	Very high	96.5	Very high	79 Å²	79	117 Å²	117	48%	0.479	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-69.8	136.3	176.8	-65.2	0	0	0	0	111	F16	F16-V18 HydrophobicContact CD1-CG1 4Å; F16-V18 HydrophobicContact CE1-CG1 3.83Å
19	K	97.3	Very high	96.6	Very high	147 Å²	147	113 Å²	113	64%	0.639	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-68	163.7	166.2	-57.7	-61.3	-175	-177.6	0	110.3	R23 R24	K19-R23 HydrophobicContact CB-CB 4.29Å; K19-R23 HydrophobicContact CB-CG 4.09Å; K19-R24 HydrophobicContact CB-CG 4.17Å; K19-R24 WeakPolarHBondContact O-CD 3.44Å; K19-R24 WeakPolarHBondContact O-CG 3.25Å
20	F	97.5	Very high	96.8	Very high	140 Å²	140	113.8 Å²	113.8	61%	0.614	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-54.6	148.7	176.7	-60.1	-27.1	0	0	0	112.6	R22 R23 R24 Y30	F20-R22 PolarHBondContact O-N 2.68Å; F20-R23 HydrophobicContact CB-CB 4.49Å; F20-R23 WeakPolarHBondContact O-CA 3.42Å; F20-R23 WeakPolarHBondContact O-CB 3.47Å; F20-R23 PolarHBondContact O-N 3.02Å; F20-R24 PolarHBondContact O-N 3.41Å; F20-Y30 HydrophobicContact CB-CD2 4.43Å; F20-Y30 HydrophobicContact CB-CE2 3.74Å; F20-Y30 HydrophobicContact CD2-CD1 4.06Å; F20-Y30 AromaticContact CD2-CD2 3.88Å; F20-Y30 HydrophobicContact CD2-CD2 3.88Å; F20-Y30 HydrophobicContact CD2-CE1 4.02Å; F20-Y30 AromaticContact CD2-CE2 3.83Å; F20-Y30 HydrophobicContact CD2-CE2 3.83Å; F20-Y30 AromaticContact CD2-CG 3.99Å; F20-Y30 HydrophobicContact CD2-CG 3.99Å; F20-Y30 AromaticContact CD2-CZ 3.89Å; F20-Y30 HydrophobicContact CE2-CD1 4.47Å; F20-Y30 HydrophobicContact CG-CE2 4.3Å
21	K	97.9	Very high	96.9	Very high	140 Å²	140	113.1 Å²	113.1	61%	0.609	51%	0.505	S	S	*	.	H	α-helix	trans	-47.8	-53.9	-174.1	-178	-178.3	174.5	-175.8	0	113	R23 R24 E25	K21-R23 VanDerWaalsContact C-N 3.29Å; K21-R23 PolarHBondContact O-N 3.39Å; K21-R24 WeakPolarHBondContact O-CB 3.31Å; K21-R24 PolarHBondContact O-N 3.36Å; K21-E25 WeakPolarHBondContact CE-OE1 3.43Å; K21-E25 WeakPolarHBondContact CG-OE1 3.38Å; K21-E25 PolarHBondContact O-N 2.85Å
22	R	97.3	Very high	96.9	Very high	107 Å²	107	112.9 Å²	112.9	40%	0.404	50%	0.503	S	S	.	.	H	α-helix	trans	-68.7	-24.9	-178.7	-63.2	-178.1	63.4	87.3	1.2	113.9	F20 G26 K27 T28 Y30	F20-R22 PolarHBondContact O-N 2.68Å; R22-G26 PolarHBondContact O-N 3.06Å; R22-K27 PolarHBondContact O-N 2.78Å; R22-T28 PolarHBondContact NE-OG1 3.19Å; R22-T28 PolarHBondContact NH2-OG1 3.5Å; R22-T28 VanDerWaalsContact NH2-OG1 3.14Å; R22-Y30 HydrophobicContact CB-CE2 4.17Å
23	R	97.5	Very high	97	Very high	143 Å²	143	111.3 Å²	111.3	54%	0.54	50%	0.497	S	S	.	.	H	α-helix	trans	-73.1	-39.1	173.2	-177.7	62.2	-178.3	107.4	-7.8	111	K19 F20 K21 E25 G26 Y30	K19-R23 HydrophobicContact CB-CB 4.29Å; K19-R23 HydrophobicContact CB-CG 4.09Å; F20-R23 HydrophobicContact CB-CB 4.49Å; F20-R23 WeakPolarHBondContact O-CA 3.42Å; F20-R23 WeakPolarHBondContact O-CB 3.47Å; F20-R23 PolarHBondContact O-N 3.02Å; K21-R23 VanDerWaalsContact C-N 3.29Å; K21-R23 PolarHBondContact O-N 3.39Å; R23-E25 VanDerWaalsContact C-N 3.31Å; R23-G26 PolarHBondContact O-N 3.4Å; R23-G26 VanDerWaalsContact O-N 3.11Å; R23-Y30 HydrophobicContact CB-CD2 4.26Å; R23-Y30 HydrophobicContact CB-CE2 4.24Å
24	R	97.5	Very high	97	Very high	152 Å²	152	111.5 Å²	111.5	57%	0.574	50%	0.497	S	S	*	.	H	α-helix	trans	-65	-35.4	172.7	-62.2	-172.1	-59.7	-165.1	-0.9	112.1	K19 F20 K21 G26	K19-R24 HydrophobicContact CB-CG 4.17Å; K19-R24 WeakPolarHBondContact O-CD 3.44Å; K19-R24 WeakPolarHBondContact O-CG 3.25Å; F20-R24 PolarHBondContact O-N 3.41Å; K21-R24 WeakPolarHBondContact O-CB 3.31Å; K21-R24 PolarHBondContact O-N 3.36Å; R24-G26 PolarHBondContact O-N 2.86Å
25	E	97.5	Very high	97	Very high	82 Å²	82	110.1 Å²	110.1	38%	0.383	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-7	172.7	-67.3	175.9	-156.9	0	0	113.4	K21 R23 K27	K21-E25 WeakPolarHBondContact CE-OE1 3.43Å; K21-E25 WeakPolarHBondContact CG-OE1 3.38Å; K21-E25 PolarHBondContact O-N 2.85Å; R23-E25 VanDerWaalsContact C-N 3.31Å; E25-K27 VanDerWaalsContact C-N 3.32Å; E25-K27 HydrophobicContact CB-CD 4.11Å; E25-K27 HydrophobicContact CB-CG 4.09Å; E25-K27 PolarHBondContact O-N 2.85Å; E25-K27 WeakPolarHBondContact OE2-CD 3.45Å; E25-K27 WeakPolarHBondContact OE2-CE 3.48Å; E25-K27 IonicContact OE2-NZ 3.91Å; E25-K27 PolarHBondContact OE2-NZ 3.49Å
26	G	96.5	Very high	97.1	Very high	43 Å²	43	101.1 Å²	101.1	44%	0.443	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	25.9	-179.9	0	0	0	0	0	114.6	R22 R23 R24 L150	R22-G26 PolarHBondContact O-N 3.06Å; R23-G26 PolarHBondContact O-N 3.4Å; R23-G26 VanDerWaalsContact O-N 3.11Å; R24-G26 PolarHBondContact O-N 2.86Å; G26-L150 WeakPolarHBondContact O-CD1 3.33Å
27	K	97	Very high	97.1	Very high	112 Å²	112	98.9 Å²	98.9	49%	0.487	45%	0.448	S	S	.	.			trans	-104.6	-11.5	-173.6	-66.5	179.2	-175.1	162.1	0	114.8	R22 E25	R22-K27 PolarHBondContact O-N 2.78Å; E25-K27 VanDerWaalsContact C-N 3.32Å; E25-K27 HydrophobicContact CB-CD 4.11Å; E25-K27 HydrophobicContact CB-CG 4.09Å; E25-K27 PolarHBondContact O-N 2.85Å; E25-K27 WeakPolarHBondContact OE2-CD 3.45Å; E25-K27 WeakPolarHBondContact OE2-CE 3.48Å; E25-K27 IonicContact OE2-NZ 3.91Å; E25-K27 PolarHBondContact OE2-NZ 3.49Å
28	T	97.2	Very high	97	Very high	11 Å²	11	97.8 Å²	97.8	7%	0.067	44%	0.437	C	S	.	.			trans	-150.1	126.5	-172.6	-58.9	0	0	0	0	110.8	R22 Y30 R33	R22-T28 PolarHBondContact NE-OG1 3.19Å; R22-T28 PolarHBondContact NH2-OG1 3.5Å; R22-T28 VanDerWaalsContact NH2-OG1 3.14Å; T28-Y30 HydrophobicContact CG2-CD2 4.29Å; T28-Y30 HydrophobicContact CG2-CE2 4.32Å; T28-R33 HydrophobicContact CG2-CB 4.23Å
29	D	96.6	Very high	96.9	Very high	58 Å²	58	96 Å²	96	31%	0.31	42%	0.423	S	S	.	.			trans	-83.8	112.6	159.3	176.6	24	0	0	0	109.3	Y31 A32 R33 L150	D29-Y31 VanDerWaalsContact C-N 3.25Å; D29-Y31 PolarHBondContact O-N 2.94Å; D29-Y31 VanDerWaalsContact OD1-CB 3.29Å; D29-Y31 WeakPolarHBondContact OD1-CB 3.44Å; D29-Y31 PolarHBondContact OD1-N 2.96Å; D29-A32 HydrophobicContact CB-CB 4.4Å; D29-A32 WeakPolarHBondContact OD2-CB 3.44Å; D29-A32 PolarHBondContact OD2-N 3.36Å; D29-A32 VanDerWaalsContact OD2-N 3.07Å; D29-R33 VanDerWaalsContact O-CB 3.29Å; D29-R33 WeakPolarHBondContact O-CB 3.18Å; D29-R33 PolarHBondContact O-N 3.47Å; D29-L150 HydrophobicContact CB-CD2 3.66Å
30	Y	97.1	Very high	96.9	Very high	80 Å²	80	92.8 Å²	92.8	31%	0.314	41%	0.413	S	S	.	.	H	α-helix	trans	-73	-19.7	178.3	-80.8	-87.6	0	0	0	112.5	F20 R22 R23 T28 K34	F20-Y30 HydrophobicContact CB-CD2 4.43Å; F20-Y30 HydrophobicContact CB-CE2 3.74Å; F20-Y30 HydrophobicContact CD2-CD1 4.06Å; F20-Y30 AromaticContact CD2-CD2 3.88Å; F20-Y30 HydrophobicContact CD2-CD2 3.88Å; F20-Y30 HydrophobicContact CD2-CE1 4.02Å; F20-Y30 AromaticContact CD2-CE2 3.83Å; F20-Y30 HydrophobicContact CD2-CE2 3.83Å; F20-Y30 AromaticContact CD2-CG 3.99Å; F20-Y30 HydrophobicContact CD2-CG 3.99Å; F20-Y30 AromaticContact CD2-CZ 3.89Å; F20-Y30 HydrophobicContact CE2-CD1 4.47Å; F20-Y30 HydrophobicContact CG-CE2 4.3Å; R22-Y30 HydrophobicContact CB-CE2 4.17Å; R23-Y30 HydrophobicContact CB-CD2 4.26Å; R23-Y30 HydrophobicContact CB-CE2 4.24Å; T28-Y30 HydrophobicContact CG2-CD2 4.29Å; T28-Y30 HydrophobicContact CG2-CE2 4.32Å; Y30-K34 VanDerWaalsContact O-CB 3.28Å; Y30-K34 WeakPolarHBondContact O-CB 3.47Å; Y30-K34 PolarHBondContact O-N 2.63Å
31	Y	97.3	Very high	96.8	Very high	155 Å²	155	94.4 Å²	94.4	61%	0.608	42%	0.42	S	S	*	.	H	α-helix	trans	-69.2	-50.8	176.6	-176.2	-102.2	0	0	0	111.2	D29 R35	D29-Y31 VanDerWaalsContact C-N 3.25Å; D29-Y31 PolarHBondContact O-N 2.94Å; D29-Y31 VanDerWaalsContact OD1-CB 3.29Å; D29-Y31 WeakPolarHBondContact OD1-CB 3.44Å; D29-Y31 PolarHBondContact OD1-N 2.96Å; Y31-R35 VanDerWaalsContact CD2-NH1 3.29Å; Y31-R35 VanDerWaalsContact CE2-NH2 3.27Å; Y31-R35 VanDerWaalsContact CG-NH1 3.28Å; Y31-R35 PolarHBondContact O-NH1 2.89Å; Y31-R35 VanDerWaalsContact O-NH1 3.11Å; Y31-R35 PolarHBondContact OH-NH2 3.06Å
32	A	96.7	Very high	96.8	Very high	48 Å²	48	93.5 Å²	93.5	40%	0.397	42%	0.421	S	S	.	.	H	α-helix	trans	-63.3	-47	171	0	0	0	0	0	112	D29 K34 R35 L36	D29-A32 HydrophobicContact CB-CB 4.4Å; D29-A32 WeakPolarHBondContact OD2-CB 3.44Å; D29-A32 PolarHBondContact OD2-N 3.36Å; D29-A32 VanDerWaalsContact OD2-N 3.07Å; A32-K34 VanDerWaalsContact C-N 3.33Å; A32-K34 PolarHBondContact O-N 3.49Å; A32-R35 PolarHBondContact O-N 3.25Å; A32-L36 PolarHBondContact O-N 3.42Å; A32-L36 VanDerWaalsContact O-N 3.08Å
33	R	97	Very high	96.8	Very high	52 Å²	52	92.8 Å²	92.8	20%	0.196	42%	0.421	C	S	.	.	H	α-helix	trans	-58.8	-41.8	-178	-177.3	175.6	170.7	100.5	-1.1	112.5	T28 D29 R35 L36 I37 D72	T28-R33 HydrophobicContact CG2-CB 4.23Å; D29-R33 VanDerWaalsContact O-CB 3.29Å; D29-R33 WeakPolarHBondContact O-CB 3.18Å; D29-R33 PolarHBondContact O-N 3.47Å; R33-R35 VanDerWaalsContact C-N 3.33Å; R33-R35 PolarHBondContact O-N 2.83Å; R33-L36 PolarHBondContact O-N 3.14Å; R33-I37 HydrophobicContact CG-CD1 4.28Å; R33-I37 HydrophobicContact CG-CG2 4.1Å; R33-I37 WeakPolarHBondContact O-CG1 3.35Å; R33-I37 PolarHBondContact O-N 2.88Å; R33-D72 IonicContact CZ-OD1 3.49Å; R33-D72 IonicContact CZ-OD2 2.64Å; R33-D72 IonicContact NH1-OD2 3.6Å; R33-D72 PolarHBondContact NH1-OD2 3.17Å; R33-D72 VanDerWaalsContact NH1-OD2 3.07Å; R33-D72 IonicContact NH2-OD1 3.78Å; R33-D72 PolarHBondContact NH2-OD1 3.5Å; R33-D72 IonicContact NH2-OD2 3.58Å; R33-D72 PolarHBondContact NH2-OD2 2.95Å
34	K	96.6	Very high	96.6	Very high	131 Å²	131	95.7 Å²	95.7	57%	0.57	43%	0.434	S	S	*	.	H	α-helix	trans	-54.1	-50.1	177.9	-178.6	-178.1	177	-175.5	0	110.5	Y30 A32 L36 W38	Y30-K34 VanDerWaalsContact O-CB 3.28Å; Y30-K34 WeakPolarHBondContact O-CB 3.47Å; Y30-K34 PolarHBondContact O-N 2.63Å; A32-K34 VanDerWaalsContact C-N 3.33Å; A32-K34 PolarHBondContact O-N 3.49Å; K34-L36 PolarHBondContact O-N 3.35Å; K34-W38 HydrophobicContact CG-CE3 4.38Å; K34-W38 WeakPolarHBondContact O-CB 3.38Å; K34-W38 PolarHBondContact O-N 2.8Å; K34-W38 VanDerWaalsContact O-N 3.11Å
35	R	97.1	Very high	96.5	Very high	138 Å²	138	94.6 Å²	94.6	52%	0.521	44%	0.439	S	S	.	.	H	α-helix	trans	-66.5	-37.7	-179.2	-67.3	-177.8	176.3	79.5	-1.6	112.9	Y31 A32 R33 K48	Y31-R35 VanDerWaalsContact CD2-NH1 3.29Å; Y31-R35 VanDerWaalsContact CE2-NH2 3.27Å; Y31-R35 VanDerWaalsContact CG-NH1 3.28Å; Y31-R35 PolarHBondContact O-NH1 2.89Å; Y31-R35 VanDerWaalsContact O-NH1 3.11Å; Y31-R35 PolarHBondContact OH-NH2 3.06Å; A32-R35 PolarHBondContact O-N 3.25Å; R33-R35 VanDerWaalsContact C-N 3.33Å; R33-R35 PolarHBondContact O-N 2.83Å; R35-K48 PolarHBondContact O-NZ 2.96Å
36	L	96.7	Very high	96.4	Very high	38 Å²	38	94.6 Å²	94.6	20%	0.199	45%	0.445	C	S	.	.	H	α-helix	trans	-68.9	-42.6	-177.1	-169.9	61.5	0	0	0	112.3	A32 R33 K34 K48 R50 H145 D147	A32-L36 PolarHBondContact O-N 3.42Å; A32-L36 VanDerWaalsContact O-N 3.08Å; R33-L36 PolarHBondContact O-N 3.14Å; K34-L36 PolarHBondContact O-N 3.35Å; L36-K48 VanDerWaalsContact O-CD 3.32Å; L36-K48 WeakPolarHBondContact O-CD 3.49Å; L36-K48 VanDerWaalsContact O-CE 3.22Å; L36-K48 WeakPolarHBondContact O-CE 3.43Å; L36-K48 PolarHBondContact O-NZ 3.34Å; L36-R50 HydrophobicContact CD2-CB 4.45Å; L36-H145 HydrophobicContact CD1-CB 3.86Å; L36-D147 HydrophobicContact CD2-CB 3.41Å; L36-D147 VanDerWaalsContact CD2-CB 3.41Å; L36-D147 VanDerWaalsContact CD2-CG 3.45Å
37	I	96.5	Very high	96.4	Very high	53 Å²	53	94.3 Å²	94.3	27%	0.272	44%	0.435	S	S	.	.	H	α-helix	trans	-88.6	-21.9	-175.4	72.9	-177.9	0	0	0	114.2	R33 Q39 A67	R33-I37 HydrophobicContact CG-CD1 4.28Å; R33-I37 HydrophobicContact CG-CG2 4.1Å; R33-I37 WeakPolarHBondContact O-CG1 3.35Å; R33-I37 PolarHBondContact O-N 2.88Å; I37-Q39 PolarHBondContact O-N 3.34Å; I37-Q39 VanDerWaalsContact O-N 3.16Å; I37-A67 HydrophobicContact CB-CB 4.22Å; I37-A67 HydrophobicContact CG2-CB 4.45Å
38	W	95.1	Very high	96.5	Very high	145 Å²	145	91.4 Å²	91.4	55%	0.549	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-64.4	119.6	-175.9	-165.3	-79.2	0	0	0	109.6	K34 K48	K34-W38 HydrophobicContact CG-CE3 4.38Å; K34-W38 WeakPolarHBondContact O-CB 3.38Å; K34-W38 PolarHBondContact O-N 2.8Å; K34-W38 VanDerWaalsContact O-N 3.11Å; W38-K48 WeakPolarHBondContact O-CD 3.4Å; W38-K48 PolarHBondContact O-NZ 3.1Å
39	Q	95.9	Very high	96.5	Very high	42 Å²	42	93.5 Å²	93.5	20%	0.196	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-97.4	147.6	176.3	-176.3	65.9	-69.6	0	0	109.3	I37 K41 K43 T46 K48	I37-Q39 PolarHBondContact O-N 3.34Å; I37-Q39 VanDerWaalsContact O-N 3.16Å; Q39-K41 PolarHBondContact O-N 3.17Å; Q39-K43 HydrophobicContact CG-CB 4.11Å; Q39-K43 HydrophobicContact CG-CD 4.41Å; Q39-T46 PolarHBondContact NE2-O 3.12Å; Q39-K48 HydrophobicContact CB-CB 4.43Å
40	D	97	Very high	96.6	Very high	79 Å²	79	91.1 Å²	91.1	42%	0.422	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-64.3	130.9	174.1	-52	-43.3	0	0	0	109.4	N42 K43	D40-N42 WeakPolarHBondContact CB-OD1 3.35Å; D40-N42 PolarHBondContact O-N 2.67Å; D40-K43 HydrophobicContact CB-CD 4.18Å; D40-K43 HydrophobicContact CB-CG 4.38Å; D40-K43 WeakPolarHBondContact O-CB 3.38Å; D40-K43 PolarHBondContact O-N 3.27Å; D40-K43 IonicContact OD2-NZ 2.67Å; D40-K43 PolarHBondContact OD2-NZ 2.87Å
41	K	95.8	Very high	96.6	Very high	173 Å²	173	87.3 Å²	87.3	75%	0.752	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-64.9	-25.2	-172.1	-66.4	-177.4	177.3	-178.8	0	113	Q39 K43 Y44	Q39-K41 PolarHBondContact O-N 3.17Å; K41-K43 PolarHBondContact O-N 3.28Å; K41-Y44 PolarHBondContact O-N 2.91Å
42	N	97.3	Very high	96.7	Very high	121 Å²	121	80.4 Å²	80.4	65%	0.647	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-71.2	-9.4	174.8	63.5	-12.7	0	0	0	113.6	D40 Y44	D40-N42 WeakPolarHBondContact CB-OD1 3.35Å; D40-N42 PolarHBondContact O-N 2.67Å; N42-Y44 VanDerWaalsContact O-CD2 3.32Å; N42-Y44 WeakPolarHBondContact O-CD2 3.46Å; N42-Y44 WeakPolarHBondContact O-CE2 3.46Å
43	K	96	Very high	96.8	Very high	92 Å²	92	78.2 Å²	78.2	40%	0.4	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-92.3	0.8	172.4	-64.4	173.2	177.2	155.5	0	113.1	Q39 D40 K41 N45 T46	Q39-K43 HydrophobicContact CG-CB 4.11Å; Q39-K43 HydrophobicContact CG-CD 4.41Å; D40-K43 HydrophobicContact CB-CD 4.18Å; D40-K43 HydrophobicContact CB-CG 4.38Å; D40-K43 WeakPolarHBondContact O-CB 3.38Å; D40-K43 PolarHBondContact O-N 3.27Å; D40-K43 IonicContact OD2-NZ 2.67Å; D40-K43 PolarHBondContact OD2-NZ 2.87Å; K41-K43 PolarHBondContact O-N 3.28Å; K43-N45 PolarHBondContact O-N 2.87Å; K43-T46 WeakPolarHBondContact O-CB 3.01Å; K43-T46 PolarHBondContact O-N 3.27Å; K43-T46 PolarHBondContact O-OG1 3.26Å; K43-T46 VanDerWaalsContact O-OG1 3.1Å
44	Y	94.6	Very high	96.8	Very high	204 Å²	204	79 Å²	79	80%	0.8	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	-108.7	175.4	-57.1	-82.8	0	0	0	113.5	K41 N42	K41-Y44 PolarHBondContact O-N 2.91Å; N42-Y44 VanDerWaalsContact O-CD2 3.32Å; N42-Y44 WeakPolarHBondContact O-CD2 3.46Å; N42-Y44 WeakPolarHBondContact O-CE2 3.46Å
45	N	95	Very high	96.8	Very high	129 Å²	129	76 Å²	76	69%	0.69	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	2.4	-174.1	-80.2	-31.5	0	0	0	114.5	K43 P47	K43-N45 PolarHBondContact O-N 2.87Å; N45-P47 WeakPolarHBondContact O-CD 3.26Å
46	T	96.2	Very high	96.8	Very high	83 Å²	83	72.5 Å²	72.5	51%	0.509	34%	0.341	S	S	.	.			trans	-66.3	116.6	-180	-58.7	0	0	0	0	110.8	Q39 K43	Q39-T46 PolarHBondContact NE2-O 3.12Å; K43-T46 WeakPolarHBondContact O-CB 3.01Å; K43-T46 PolarHBondContact O-N 3.27Å; K43-T46 PolarHBondContact O-OG1 3.26Å; K43-T46 VanDerWaalsContact O-OG1 3.1Å
47	P	96.3	Very high	96.8	Very high	36 Å²	36	78.3 Å²	78.3	23%	0.234	37%	0.372	C	S	.	.			trans	-67.1	138	-178.6	27.2	-33.6	0	0	0	111.3	N45 Y49 Y66	N45-P47 WeakPolarHBondContact O-CD 3.26Å; P47-Y49 HydrophobicContact CB-CE1 4.22Å; P47-Y49 HydrophobicContact CB-CE2 4.21Å; P47-Y49 HydrophobicContact CG-CD2 4.5Å; P47-Y49 HydrophobicContact CG-CE1 4.17Å; P47-Y49 HydrophobicContact CG-CE2 3.62Å; P47-Y49 VanDerWaalsContact CG-CZ 3.42Å; P47-Y49 VanDerWaalsContact CG-OH 3.25Å; P47-Y49 WeakPolarHBondContact CG-OH 3.39Å; P47-Y66 HydrophobicContact CB-CD1 4.44Å; P47-Y66 HydrophobicContact CB-CD2 3.8Å; P47-Y66 HydrophobicContact CB-CE2 4.46Å; P47-Y66 HydrophobicContact CB-CG 3.78Å
48	K	97.7	Very high	96.8	Very high	51 Å²	51	84.4 Å²	84.4	22%	0.222	40%	0.397	C	S	.	.			trans	-93.4	104.7	169.1	-166.1	172.9	-176.3	-175.9	0	108.8	R35 L36 W38 Q39	R35-K48 PolarHBondContact O-NZ 2.96Å; L36-K48 VanDerWaalsContact O-CD 3.32Å; L36-K48 WeakPolarHBondContact O-CD 3.49Å; L36-K48 VanDerWaalsContact O-CE 3.22Å; L36-K48 WeakPolarHBondContact O-CE 3.43Å; L36-K48 PolarHBondContact O-NZ 3.34Å; W38-K48 WeakPolarHBondContact O-CD 3.4Å; W38-K48 PolarHBondContact O-NZ 3.1Å; Q39-K48 HydrophobicContact CB-CB 4.43Å
49	Y	98.2	Very high	96.9	Very high	56 Å²	56	78.8 Å²	78.8	22%	0.22	38%	0.378	C	S	.	.			trans	-80.3	143.9	-177.8	-62.5	-75.4	0	0	0	112	P47 I64 Y66 L75 F142 C144 H145	P47-Y49 HydrophobicContact CB-CE1 4.22Å; P47-Y49 HydrophobicContact CB-CE2 4.21Å; P47-Y49 HydrophobicContact CG-CD2 4.5Å; P47-Y49 HydrophobicContact CG-CE1 4.17Å; P47-Y49 HydrophobicContact CG-CE2 3.62Å; P47-Y49 VanDerWaalsContact CG-CZ 3.42Å; P47-Y49 VanDerWaalsContact CG-OH 3.25Å; P47-Y49 WeakPolarHBondContact CG-OH 3.39Å; Y49-I64 HydrophobicContact CD1-CG2 4.04Å; Y49-Y66 AromaticContact CD1-CD1 3.9Å; Y49-Y66 HydrophobicContact CD1-CD1 3.9Å; Y49-Y66 HydrophobicContact CD1-CG 4.34Å; Y49-Y66 AromaticContact CE1-CD1 3.52Å; Y49-Y66 HydrophobicContact CE1-CD1 3.52Å; Y49-Y66 HydrophobicContact CE1-CE1 4.16Å; Y49-Y66 HydrophobicContact CE1-CG 4.16Å; Y49-L75 HydrophobicContact CE1-CD2 4.13Å; Y49-F142 HydrophobicContact CD1-CE2 4.46Å; Y49-F142 AromaticContact CD1-CZ 3.68Å; Y49-F142 HydrophobicContact CD1-CZ 3.68Å; Y49-F142 HydrophobicContact CD2-CE1 4.28Å; Y49-F142 AromaticContact CD2-CE2 3.94Å; Y49-F142 HydrophobicContact CD2-CE2 3.94Å; Y49-F142 AromaticContact CD2-CZ 3.58Å; Y49-F142 HydrophobicContact CD2-CZ 3.58Å; Y49-F142 HydrophobicContact CE1-CE2 4.34Å; Y49-F142 AromaticContact CE1-CZ 3.95Å; Y49-F142 HydrophobicContact CE1-CZ 3.95Å; Y49-F142 AromaticContact CE2-CE2 3.81Å; Y49-F142 HydrophobicContact CE2-CE2 3.81Å; Y49-F142 AromaticContact CE2-CZ 3.87Å; Y49-F142 HydrophobicContact CE2-CZ 3.87Å; Y49-F142 HydrophobicContact CG-CE1 4.06Å; Y49-F142 HydrophobicContact CG-CE2 4.26Å; Y49-F142 AromaticContact CG-CZ 3.47Å; Y49-F142 HydrophobicContact CG-CZ 3.47Å; Y49-F142 VanDerWaalsContact CG-CZ 3.47Å; Y49-C144 WeakPolarHBondContact O-CA 3.32Å; Y49-H145 PolarHBondContact O-N 3Å
50	R	98.2	Very high	97	Very high	7 Å²	7	76.8 Å²	76.8	3%	0.026	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	140.4	173	53.1	167.3	-168.8	-129.6	-16.8	111.4	L36 V52 I64 I65 D72 H145 D147	L36-R50 HydrophobicContact CD2-CB 4.45Å; R50-V52 HydrophobicContact CG-CG2 3.97Å; R50-V52 PolarHBondContact O-N 2.79Å; R50-I64 WeakPolarHBondContact O-CA 3.42Å; R50-I65 HydrophobicContact CG-CB 4.26Å; R50-I65 WeakPolarHBondContact CG-O 3.49Å; R50-I65 PolarHBondContact N-O 3.41Å; R50-I65 VanDerWaalsContact NH2-CG2 3.26Å; R50-I65 PolarHBondContact O-N 2.88Å; R50-D72 IonicContact CZ-OD1 2.81Å; R50-D72 IonicContact CZ-OD2 2.7Å; R50-D72 IonicContact NH2-OD1 2.71Å; R50-D72 PolarHBondContact NH2-OD1 2.97Å; R50-D72 IonicContact NH2-OD2 3.09Å; R50-D72 PolarHBondContact NH2-OD2 3.04Å; R50-H145 CarbonylContact C-O 3.59Å; R50-H145 WeakPolarHBondContact CA-O 3.49Å; R50-H145 VanDerWaalsContact CB-O 3.28Å; R50-H145 WeakPolarHBondContact CB-O 3.36Å; R50-D147 HydrophobicContact CB-CB 4.36Å; R50-D147 WeakPolarHBondContact CD-OD2 3.46Å; R50-D147 IonicContact NE-OD2 3.26Å
51	L	98.3	Very high	97	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	100.6	168.1	179.8	65.9	0	0	0	108.4	V53 Q63 I64 H145 L146 D147 A166 I173	L51-V53 HydrophobicContact CD2-CG2 4.2Å; L51-V53 HydrophobicContact CG-CG2 3.96Å; L51-V53 PolarHBondContact O-N 3.26Å; L51-Q63 CarbonylContact C-O 3.41Å; L51-Q63 WeakPolarHBondContact CA-O 3.45Å; L51-I64 HydrophobicContact CD1-CG1 4.19Å; L51-H145 PolarHBondContact N-O 3.3Å; L51-L146 HydrophobicContact CD2-CD1 4.37Å; L51-D147 PolarHBondContact O-N 3.14Å; L51-A166 HydrophobicContact CD2-CB 3.55Å; L51-I173 HydrophobicContact CB-CD1 4.36Å; L51-I173 HydrophobicContact CD2-CD1 3.66Å
52	V	98.3	Very high	97.2	Very high	11 Å²	11	66.6 Å²	66.6	7%	0.067	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	111	176.6	-177.8	0	0	0	0	109.5	R50 R54 C62 Q63 I65 D147	R50-V52 HydrophobicContact CG-CG2 3.97Å; R50-V52 PolarHBondContact O-N 2.79Å; V52-R54 HydrophobicContact CG1-CG 4.03Å; V52-C62 WeakPolarHBondContact O-CA 3.41Å; V52-Q63 HydrophobicContact CB-CB 4.44Å; V52-Q63 PolarHBondContact N-O 2.98Å; V52-Q63 PolarHBondContact O-N 2.99Å; V52-I65 HydrophobicContact CB-CD1 3.94Å; V52-I65 HydrophobicContact CB-CG1 4.4Å; V52-I65 HydrophobicContact CG1-CD1 4.46Å; V52-I65 HydrophobicContact CG2-CB 4.18Å; V52-I65 HydrophobicContact CG2-CD1 3.59Å; V52-I65 HydrophobicContact CG2-CG1 3.91Å; V52-D147 HydrophobicContact CB-CB 4.42Å; V52-D147 HydrophobicContact CG2-CB 3.9Å
53	V	98	Very high	97.2	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122	176.4	-175.9	0	0	0	0	109.1	L51 F55 I61 L146 D147 I159 A162	L51-V53 HydrophobicContact CD2-CG2 4.2Å; L51-V53 HydrophobicContact CG-CG2 3.96Å; L51-V53 PolarHBondContact O-N 3.26Å; V53-F55 HydrophobicContact CG1-CD2 4.22Å; V53-F55 HydrophobicContact CG1-CE2 3.69Å; V53-I61 CarbonylContact C-O 3.5Å; V53-I61 WeakPolarHBondContact CA-O 3.42Å; V53-L146 HydrophobicContact CB-CD1 4.49Å; V53-L146 HydrophobicContact CG2-CD1 3.74Å; V53-D147 PolarHBondContact N-O 3.44Å; V53-I159 HydrophobicContact CB-CG2 4.21Å; V53-I159 HydrophobicContact CG1-CG1 4.27Å; V53-I159 HydrophobicContact CG1-CG2 4.21Å; V53-A162 HydrophobicContact CG1-CB 3.77Å; V53-A162 HydrophobicContact CG2-CB 3.97Å
54	R	97.9	Very high	97.3	Very high	68 Å²	68	58.3 Å²	58.3	26%	0.257	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.9	178.1	-62.7	-66.5	178.4	-92.7	-0.3	110.3	V52 I61 D147 I148 G149	V52-R54 HydrophobicContact CG1-CG 4.03Å; R54-I61 HydrophobicContact CB-CB 4.34Å; R54-I61 PolarHBondContact N-O 3.39Å; R54-I61 PolarHBondContact O-N 3.12Å; R54-D147 IonicContact CZ-OD1 3.05Å; R54-D147 PolarHBondContact NH1-O 2.96Å; R54-D147 IonicContact NH1-OD1 3.33Å; R54-D147 IonicContact NH2-OD1 3.96Å; R54-D147 PolarHBondContact NH2-OD1 3.19Å; R54-D147 IonicContact NH2-OD2 3.07Å; R54-I148 VanDerWaalsContact NH1-C 3.29Å; R54-G149 VanDerWaalsContact CZ-CA 3.49Å; R54-G149 VanDerWaalsContact NH2-CA 3.26Å
55	F	97.2	Very high	97.5	Very high	69 Å²	69	49.1 Å²	49.1	30%	0.303	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.6	171.3	-74.6	-105	0	0	0	109	V53 I60 A98 N158 I159	V53-F55 HydrophobicContact CG1-CD2 4.22Å; V53-F55 HydrophobicContact CG1-CE2 3.69Å; F55-I60 HydrophobicContact CD1-CD1 4.23Å; F55-I60 HydrophobicContact CD1-CG1 3.79Å; F55-I60 HydrophobicContact CE1-CB 4.47Å; F55-I60 HydrophobicContact CE1-CD1 3.48Å; F55-I60 VanDerWaalsContact CE1-CD1 3.48Å; F55-I60 HydrophobicContact CE1-CG1 3.54Å; F55-I60 HydrophobicContact CE1-CG2 4.19Å; F55-I60 HydrophobicContact CE2-CG2 4.15Å; F55-I60 HydrophobicContact CZ-CD1 3.96Å; F55-I60 HydrophobicContact CZ-CG1 4.15Å; F55-I60 HydrophobicContact CZ-CG2 3.94Å; F55-A98 HydrophobicContact CE1-CB 4.27Å; F55-A98 HydrophobicContact CZ-CB 3.71Å; F55-N158 HydrophobicContact CD1-CB 4.46Å; F55-N158 HydrophobicContact CE1-CB 3.51Å; F55-N158 HydrophobicContact CE2-CB 4.32Å; F55-N158 HydrophobicContact CZ-CB 3.43Å; F55-N158 VanDerWaalsContact CZ-CB 3.43Å; F55-N158 WeakPolarHBondContact CZ-O 3.46Å; F55-I159 HydrophobicContact CD2-CD1 4.37Å; F55-I159 HydrophobicContact CD2-CG1 3.58Å; F55-I159 HydrophobicContact CE2-CB 4.2Å; F55-I159 HydrophobicContact CE2-CG1 3.38Å; F55-I159 HydrophobicContact CZ-CG1 4.46Å
56	T	96.4	Very high	97.6	Very high	64 Å²	64	45.2 Å²	45.2	39%	0.393	22%	0.221	S	C	.	.			trans	-109	174.9	160.9	74	0	0	0	0	108.2	K58 D59 I61	T56-K58 PolarHBondContact O-N 3.34Å; T56-K58 VanDerWaalsContact O-N 3.12Å; T56-K58 PolarHBondContact OG1-N 3.07Å; T56-D59 PolarHBondContact N-O 3.48Å; T56-D59 WeakPolarHBondContact OG1-CA 3.39Å; T56-D59 WeakPolarHBondContact OG1-CB 3.47Å; T56-D59 PolarHBondContact OG1-N 3.23Å; T56-D59 PolarHBondContact OG1-O 3.33Å; T56-I61 HydrophobicContact CG2-CD1 3.99Å
57	N	96.2	Very high	97.7	Very high	160 Å²	160	43 Å²	43	86%	0.856	21%	0.212	S	C	*	.	S	Bend	trans	-64	-20.1	-178.8	-65.6	-3.2	0	0	0	113.7
58	K	96.1	Very high	97.7	Very high	181 Å²	181	46.7 Å²	46.7	79%	0.787	22%	0.221	S	C	*	.	S	Bend	trans	-134.4	-0	-174.5	-64.8	-171.4	176.8	-174.2	0	114.3	T56 T93	T56-K58 PolarHBondContact O-N 3.34Å; T56-K58 VanDerWaalsContact O-N 3.12Å; T56-K58 PolarHBondContact OG1-N 3.07Å; K58-T93 VanDerWaalsContact C-CG2 3.46Å
59	D	97.8	Very high	97.6	Very high	27 Å²	27	53.1 Å²	53.1	14%	0.144	26%	0.256	C	S	.	.			trans	-150.7	143.6	-174.5	-159.9	14.2	0	0	0	111.5	T56 S80 H81	T56-D59 PolarHBondContact N-O 3.48Å; T56-D59 WeakPolarHBondContact OG1-CA 3.39Å; T56-D59 WeakPolarHBondContact OG1-CB 3.47Å; T56-D59 PolarHBondContact OG1-N 3.23Å; T56-D59 PolarHBondContact OG1-O 3.33Å; D59-S80 VanDerWaalsContact CA-OG 3.28Å; D59-S80 WeakPolarHBondContact CA-OG 3.41Å; D59-S80 WeakPolarHBondContact OD1-CB 3.47Å; D59-S80 PolarHBondContact OD1-N 2.93Å; D59-S80 PolarHBondContact OD1-OG 3.09Å; D59-H81 PolarHBondContact OD1-N 2.97Å; D59-H81 VanDerWaalsContact OD1-N 3.15Å; D59-H81 IonicContact OD1-ND1 2.78Å; D59-H81 PolarHBondContact OD1-ND1 3.19Å; D59-H81 IonicContact OD2-CE1 2.79Å; D59-H81 IonicContact OD2-CG 3.47Å; D59-H81 IonicContact OD2-ND1 3.93Å; D59-H81 PolarHBondContact OD2-ND1 3.1Å
60	I	98.2	Very high	97.6	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.1	170.2	-51.3	174.3	0	0	0	107.9	F55 Y79 S80 L92 A97 A98 T101	F55-I60 HydrophobicContact CD1-CD1 4.23Å; F55-I60 HydrophobicContact CD1-CG1 3.79Å; F55-I60 HydrophobicContact CE1-CB 4.47Å; F55-I60 HydrophobicContact CE1-CD1 3.48Å; F55-I60 VanDerWaalsContact CE1-CD1 3.48Å; F55-I60 HydrophobicContact CE1-CG1 3.54Å; F55-I60 HydrophobicContact CE1-CG2 4.19Å; F55-I60 HydrophobicContact CE2-CG2 4.15Å; F55-I60 HydrophobicContact CZ-CD1 3.96Å; F55-I60 HydrophobicContact CZ-CG1 4.15Å; F55-I60 HydrophobicContact CZ-CG2 3.94Å; I60-Y79 CarbonylContact O-C 3.31Å; I60-Y79 WeakPolarHBondContact O-CA 3.41Å; I60-S80 PolarHBondContact N-OG 2.99Å; I60-S80 PolarHBondContact O-N 3.47Å; I60-L92 VanDerWaalsContact CD1-O 3.3Å; I60-L92 WeakPolarHBondContact CD1-O 3.09Å; I60-L92 WeakPolarHBondContact CG1-O 3.38Å; I60-A97 HydrophobicContact CD1-CB 4.14Å; I60-A98 VanDerWaalsContact CD1-CA 3.49Å; I60-A98 HydrophobicContact CD1-CB 3.76Å; I60-T101 HydrophobicContact CB-CG2 4.29Å
61	I	98.3	Very high	97.5	Very high	39 Å²	39	57.1 Å²	57.1	20%	0.2	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.6	-179	-55.8	167	0	0	0	108.1	V53 R54 T56 Q63 Y79	V53-I61 CarbonylContact C-O 3.5Å; V53-I61 WeakPolarHBondContact CA-O 3.42Å; R54-I61 HydrophobicContact CB-CB 4.34Å; R54-I61 PolarHBondContact N-O 3.39Å; R54-I61 PolarHBondContact O-N 3.12Å; T56-I61 HydrophobicContact CG2-CD1 3.99Å; I61-Q63 HydrophobicContact CG2-CG 3.94Å; I61-Y79 HydrophobicContact CB-CD1 4.29Å; I61-Y79 HydrophobicContact CB-CE1 4.31Å; I61-Y79 HydrophobicContact CG1-CD1 3.87Å; I61-Y79 HydrophobicContact CG1-CE1 4.02Å; I61-Y79 HydrophobicContact CG2-CD1 4.09Å; I61-Y79 HydrophobicContact CG2-CE1 3.67Å
62	C	98.4	Very high	97.4	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.7	174	-69.2	0	0	0	0	109	V52 S77 A78 C105	V52-C62 WeakPolarHBondContact O-CA 3.41Å; C62-S77 CarbonylContact O-C 3.53Å; C62-S77 WeakPolarHBondContact O-CA 3.29Å; C62-A78 PolarHBondContact N-O 2.88Å; C62-A78 PolarHBondContact O-N 3.03Å; C62-C105 HydrophobicContact CB-CB 4.06Å
63	Q	98.4	Very high	97.4	Very high	39 Å²	39	64.9 Å²	64.9	18%	0.182	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	136.8	-177.5	-67.9	179.4	-20.6	0	0	111.1	L51 V52 I61 I65 V74 C76 Y79	L51-Q63 CarbonylContact C-O 3.41Å; L51-Q63 WeakPolarHBondContact CA-O 3.45Å; V52-Q63 HydrophobicContact CB-CB 4.44Å; V52-Q63 PolarHBondContact N-O 2.98Å; V52-Q63 PolarHBondContact O-N 2.99Å; I61-Q63 HydrophobicContact CG2-CG 3.94Å; Q63-I65 HydrophobicContact CB-CD1 3.8Å; Q63-I65 HydrophobicContact CB-CG1 3.74Å; Q63-V74 HydrophobicContact CB-CG1 4.32Å; Q63-V74 HydrophobicContact CG-CG1 4.4Å; Q63-C76 WeakPolarHBondContact CA-O 3.43Å; Q63-Y79 PolarHBondContact NE2-OH 3.4Å
64	I	98.3	Very high	97.4	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.9	166.9	-60.2	-144.2	0	0	0	108.6	Y49 R50 L51 L75 C76 V109 F142 L171	Y49-I64 HydrophobicContact CD1-CG2 4.04Å; R50-I64 WeakPolarHBondContact O-CA 3.42Å; L51-I64 HydrophobicContact CD1-CG1 4.19Å; I64-L75 HydrophobicContact CB-CB 4.44Å; I64-L75 HydrophobicContact CG2-CB 4.22Å; I64-L75 HydrophobicContact CG2-CD2 4.19Å; I64-L75 PolarHBondContact O-N 2.94Å; I64-C76 PolarHBondContact N-O 3.45Å; I64-V109 HydrophobicContact CB-CG2 4.21Å; I64-V109 HydrophobicContact CD1-CB 4.33Å; I64-V109 HydrophobicContact CD1-CG1 4.25Å; I64-V109 HydrophobicContact CD1-CG2 3.72Å; I64-V109 HydrophobicContact CG1-CG2 3.84Å; I64-F142 HydrophobicContact CD1-CD1 4.27Å; I64-F142 HydrophobicContact CD1-CE1 3.71Å; I64-F142 HydrophobicContact CG2-CE1 3.8Å; I64-F142 HydrophobicContact CG2-CZ 3.85Å; I64-L171 HydrophobicContact CD1-CD1 3.63Å
65	I	98.2	Very high	97.3	Very high	11 Å²	11	67 Å²	67	6%	0.056	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	146.4	-170.4	-48.7	-172.1	0	0	0	110	R50 V52 Q63 D72 R73 V74	R50-I65 HydrophobicContact CG-CB 4.26Å; R50-I65 WeakPolarHBondContact CG-O 3.49Å; R50-I65 PolarHBondContact N-O 3.41Å; R50-I65 VanDerWaalsContact NH2-CG2 3.26Å; R50-I65 PolarHBondContact O-N 2.88Å; V52-I65 HydrophobicContact CB-CD1 3.94Å; V52-I65 HydrophobicContact CB-CG1 4.4Å; V52-I65 HydrophobicContact CG1-CD1 4.46Å; V52-I65 HydrophobicContact CG2-CB 4.18Å; V52-I65 HydrophobicContact CG2-CD1 3.59Å; V52-I65 HydrophobicContact CG2-CG1 3.91Å; Q63-I65 HydrophobicContact CB-CD1 3.8Å; Q63-I65 HydrophobicContact CB-CG1 3.74Å; I65-D72 HydrophobicContact CG2-CB 3.6Å; I65-R73 WeakPolarHBondContact CA-O 3.38Å; I65-R73 WeakPolarHBondContact CG2-O 3.32Å; I65-V74 HydrophobicContact CD1-CG2 4.11Å; I65-V74 HydrophobicContact CG1-CG2 4.16Å
66	Y	97.8	Very high	97.3	Very high	46 Å²	46	64.3 Å²	64.3	18%	0.18	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	158.1	164.8	64.5	-86.3	0	0	0	110.6	P47 Y49 R68 D72 R73	P47-Y66 HydrophobicContact CB-CD1 4.44Å; P47-Y66 HydrophobicContact CB-CD2 3.8Å; P47-Y66 HydrophobicContact CB-CE2 4.46Å; P47-Y66 HydrophobicContact CB-CG 3.78Å; Y49-Y66 AromaticContact CD1-CD1 3.9Å; Y49-Y66 HydrophobicContact CD1-CD1 3.9Å; Y49-Y66 HydrophobicContact CD1-CG 4.34Å; Y49-Y66 AromaticContact CE1-CD1 3.52Å; Y49-Y66 HydrophobicContact CE1-CD1 3.52Å; Y49-Y66 HydrophobicContact CE1-CE1 4.16Å; Y49-Y66 HydrophobicContact CE1-CG 4.16Å; Y66-R68 HydrophobicContact CD2-CG 4.26Å; Y66-R68 HydrophobicContact CE2-CG 3.84Å; Y66-D72 WeakPolarHBondContact O-CA 3.3Å; Y66-R73 HydrophobicContact CD1-CB 4.17Å; Y66-R73 HydrophobicContact CD2-CB 4.28Å; Y66-R73 HydrophobicContact CE1-CB 3.61Å; Y66-R73 HydrophobicContact CE2-CB 3.71Å; Y66-R73 HydrophobicContact CE2-CG 3.81Å; Y66-R73 HydrophobicContact CG-CB 4.49Å; Y66-R73 PolarHBondContact N-O 3.39Å; Y66-R73 PolarHBondContact O-N 3.23Å
67	A	97.7	Very high	97.4	Very high	38 Å²	38	62.7 Å²	62.7	31%	0.314	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	139.9	-176.7	0	0	0	0	0	112	I37	I37-A67 HydrophobicContact CB-CB 4.22Å; I37-A67 HydrophobicContact CG2-CB 4.45Å
68	R	96.7	Very high	97.5	Very high	113 Å²	113	55.1 Å²	55.1	43%	0.426	28%	0.28	S	S	.	.			trans	-126.1	174.3	164	-67.1	-69.7	-168	-173.1	-7.8	109.1	Y66 D70 G71 R73	Y66-R68 HydrophobicContact CD2-CG 4.26Å; Y66-R68 HydrophobicContact CE2-CG 3.84Å; R68-D70 WeakPolarHBondContact CB-OD1 3.18Å; R68-G71 CarbonylContact C-O 3.52Å; R68-G71 WeakPolarHBondContact CA-O 3.3Å; R68-G71 WeakPolarHBondContact CB-O 3.48Å; R68-G71 PolarHBondContact N-O 3.43Å; R68-G71 PolarHBondContact O-N 3.34Å; R68-R73 HydrophobicContact CG-CG 3.92Å
69	I	96	Very high	97.5	Very high	186 Å²	186	49 Å²	49	95%	0.954	25%	0.252	S	S	*	.	S	Bend	trans	-65.6	-41	-176.5	-65	172.8	0	0	0	111.5
70	D	96.4	Very high	97.5	Very high	117 Å²	117	47.7 Å²	47.7	63%	0.626	25%	0.245	S	C	*	.	S	Bend	trans	-83.5	-16.1	-177.9	66.9	-37	0	0	0	113.4	R68 R73	R68-D70 WeakPolarHBondContact CB-OD1 3.18Å; D70-R73 VanDerWaalsContact CG-NH2 3.35Å; D70-R73 IonicContact OD1-CZ 3.87Å; D70-R73 IonicContact OD1-NH2 3.54Å; D70-R73 PolarHBondContact OD1-NH2 2.94Å; D70-R73 IonicContact OD2-CZ 2.76Å; D70-R73 IonicContact OD2-NH1 3.8Å; D70-R73 IonicContact OD2-NH2 3.51Å; D70-R73 PolarHBondContact OD2-NH2 3.19Å
71	G	96.1	Very high	97.5	Very high	30 Å²	30	52.2 Å²	52.2	31%	0.309	27%	0.266	S	S	.	.			trans	162.5	-179.9	177.7	0	0	0	0	0	113.3	R68	R68-G71 CarbonylContact C-O 3.52Å; R68-G71 WeakPolarHBondContact CA-O 3.3Å; R68-G71 WeakPolarHBondContact CB-O 3.48Å; R68-G71 PolarHBondContact N-O 3.43Å; R68-G71 PolarHBondContact O-N 3.34Å
72	D	97.8	Very high	97.4	Very high	59 Å²	59	51.6 Å²	51.6	32%	0.316	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	139.8	173.1	-69.3	-32.8	0	0	0	110.2	R33 R50 I65 Y66	R33-D72 IonicContact CZ-OD1 3.49Å; R33-D72 IonicContact CZ-OD2 2.64Å; R33-D72 IonicContact NH1-OD2 3.6Å; R33-D72 PolarHBondContact NH1-OD2 3.17Å; R33-D72 VanDerWaalsContact NH1-OD2 3.07Å; R33-D72 IonicContact NH2-OD1 3.78Å; R33-D72 PolarHBondContact NH2-OD1 3.5Å; R33-D72 IonicContact NH2-OD2 3.58Å; R33-D72 PolarHBondContact NH2-OD2 2.95Å; R50-D72 IonicContact CZ-OD1 2.81Å; R50-D72 IonicContact CZ-OD2 2.7Å; R50-D72 IonicContact NH2-OD1 2.71Å; R50-D72 PolarHBondContact NH2-OD1 2.97Å; R50-D72 IonicContact NH2-OD2 3.09Å; R50-D72 PolarHBondContact NH2-OD2 3.04Å; I65-D72 HydrophobicContact CG2-CB 3.6Å; Y66-D72 WeakPolarHBondContact O-CA 3.3Å
73	R	98	Very high	97.3	Very high	114 Å²	114	51.6 Å²	51.6	43%	0.43	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123.7	172.9	-60.6	-61.5	-174.4	-165.6	-4.7	109.1	I65 Y66 R68 D70	I65-R73 WeakPolarHBondContact CA-O 3.38Å; I65-R73 WeakPolarHBondContact CG2-O 3.32Å; Y66-R73 HydrophobicContact CD1-CB 4.17Å; Y66-R73 HydrophobicContact CD2-CB 4.28Å; Y66-R73 HydrophobicContact CE1-CB 3.61Å; Y66-R73 HydrophobicContact CE2-CB 3.71Å; Y66-R73 HydrophobicContact CE2-CG 3.81Å; Y66-R73 HydrophobicContact CG-CB 4.49Å; Y66-R73 PolarHBondContact N-O 3.39Å; Y66-R73 PolarHBondContact O-N 3.23Å; R68-R73 HydrophobicContact CG-CG 3.92Å; D70-R73 VanDerWaalsContact CG-NH2 3.35Å; D70-R73 IonicContact OD1-CZ 3.87Å; D70-R73 IonicContact OD1-NH2 3.54Å; D70-R73 PolarHBondContact OD1-NH2 2.94Å; D70-R73 IonicContact OD2-CZ 2.76Å; D70-R73 IonicContact OD2-NH1 3.8Å; D70-R73 IonicContact OD2-NH2 3.51Å; D70-R73 PolarHBondContact OD2-NH2 3.19Å
74	V	97.8	Very high	97.2	Very high	74 Å²	74	52.2 Å²	52.2	45%	0.448	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	119.9	175.2	-175.9	0	0	0	0	107.7	Q63 I65 C76	Q63-V74 HydrophobicContact CB-CG1 4.32Å; Q63-V74 HydrophobicContact CG-CG1 4.4Å; I65-V74 HydrophobicContact CD1-CG2 4.11Å; I65-V74 HydrophobicContact CG1-CG2 4.16Å; V74-C76 WeakPolarHBondContact CG1-O 3.37Å
75	L	96.6	Very high	97.1	Very high	39 Å²	39	57.6 Å²	57.6	20%	0.204	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-46.6	175.3	-179	63.6	0	0	0	110.5	Y49 I64 V109 Q112 F142	Y49-L75 HydrophobicContact CE1-CD2 4.13Å; I64-L75 HydrophobicContact CB-CB 4.44Å; I64-L75 HydrophobicContact CG2-CB 4.22Å; I64-L75 HydrophobicContact CG2-CD2 4.19Å; I64-L75 PolarHBondContact O-N 2.94Å; L75-V109 HydrophobicContact CD2-CG1 4.16Å; L75-Q112 PolarHBondContact O-NE2 2.99Å; L75-Q112 PolarHBondContact O-OE1 3.16Å; L75-F142 HydrophobicContact CD2-CE2 4.04Å; L75-F142 HydrophobicContact CD2-CZ 3.86Å
76	C	96.7	Very high	97	Very high	14 Å²	14	57.6 Å²	57.6	10%	0.095	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	154.9	-179.2	-175.1	0	0	0	0	110.9	Q63 I64 V74 R108 V109	Q63-C76 WeakPolarHBondContact CA-O 3.43Å; I64-C76 PolarHBondContact N-O 3.45Å; V74-C76 WeakPolarHBondContact CG1-O 3.37Å; C76-R108 WeakPolarHBondContact SG-CB 3.35Å; C76-V109 HydrophobicContact CB-CG2 3.26Å
77	S	97.4	Very high	96.9	Very high	30 Å²	30	57 Å²	57	21%	0.21	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	144.9	173.8	58.2	0	0	0	0	111.5	C62 R108	C62-S77 CarbonylContact O-C 3.53Å; C62-S77 WeakPolarHBondContact O-CA 3.29Å; S77-R108 PolarHBondContact O-NH1 3.27Å
78	A	98	Very high	96.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.4	167.1	0	0	0	0	0	109.7	C62 L104 C105	C62-A78 PolarHBondContact N-O 2.88Å; C62-A78 PolarHBondContact O-N 3.03Å; A78-L104 HydrophobicContact CB-CB 4.2Å; A78-L104 HydrophobicContact CB-CD2 4.1Å; A78-L104 HydrophobicContact CB-CG 3.97Å; A78-C105 HydrophobicContact CB-CB 3.79Å
79	Y	98.1	Very high	96.7	Very high	52 Å²	52	55.4 Å²	55.4	20%	0.204	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	149	-176.7	-56.8	-87.9	0	0	0	111	I60 I61 Q63 H81 E82	I60-Y79 CarbonylContact O-C 3.31Å; I60-Y79 WeakPolarHBondContact O-CA 3.41Å; I61-Y79 HydrophobicContact CB-CD1 4.29Å; I61-Y79 HydrophobicContact CB-CE1 4.31Å; I61-Y79 HydrophobicContact CG1-CD1 3.87Å; I61-Y79 HydrophobicContact CG1-CE1 4.02Å; I61-Y79 HydrophobicContact CG2-CD1 4.09Å; I61-Y79 HydrophobicContact CG2-CE1 3.67Å; Q63-Y79 PolarHBondContact NE2-OH 3.4Å; Y79-H81 VanDerWaalsContact C-N 3.26Å; Y79-H81 WeakPolarHBondContact CB-CE1 3.48Å; Y79-H81 VanDerWaalsContact CB-ND1 3.32Å; Y79-H81 WeakPolarHBondContact CB-ND1 3.29Å; Y79-H81 AromaticContact CD1-CE1 3.77Å; Y79-H81 AromaticContact CD2-CE1 3.89Å; Y79-H81 AromaticContact CG-CE1 3.34Å; Y79-H81 AromaticContact CG-ND1 3.94Å; Y79-H81 PolarHBondContact O-N 3.42Å; Y79-E82 WeakPolarHBondContact CD2-OE1 3.18Å; Y79-E82 WeakPolarHBondContact O-CB 3.3Å; Y79-E82 PolarHBondContact O-N 3.48Å; Y79-E82 VanDerWaalsContact O-N 3.16Å
80	S	97.7	Very high	96.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-68.7	-27.4	178.8	70.3	0	0	0	0	112.9	D59 I60 E82 L83 L92 T101	D59-S80 VanDerWaalsContact CA-OG 3.28Å; D59-S80 WeakPolarHBondContact CA-OG 3.41Å; D59-S80 WeakPolarHBondContact OD1-CB 3.47Å; D59-S80 PolarHBondContact OD1-N 2.93Å; D59-S80 PolarHBondContact OD1-OG 3.09Å; I60-S80 PolarHBondContact N-OG 2.99Å; I60-S80 PolarHBondContact O-N 3.47Å; S80-E82 PolarHBondContact O-N 3.38Å; S80-E82 VanDerWaalsContact O-N 3.13Å; S80-L83 VanDerWaalsContact O-CB 3.24Å; S80-L83 WeakPolarHBondContact O-CB 3.38Å; S80-L83 WeakPolarHBondContact O-CG 3.46Å; S80-L83 PolarHBondContact O-N 3.46Å; S80-L92 WeakPolarHBondContact CB-O 3.07Å; S80-L92 PolarHBondContact OG-O 2.86Å; S80-L92 VanDerWaalsContact OG-O 3.12Å; S80-T101 VanDerWaalsContact CA-CG2 3.42Å
81	H	96.7	Very high	96.6	Very high	95 Å²	95	42.8 Å²	42.8	44%	0.44	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-67.9	-6.9	174.2	68.6	-103.5	0	0	0	114.3	D59 Y79 P84	D59-H81 PolarHBondContact OD1-N 2.97Å; D59-H81 VanDerWaalsContact OD1-N 3.15Å; D59-H81 IonicContact OD1-ND1 2.78Å; D59-H81 PolarHBondContact OD1-ND1 3.19Å; D59-H81 IonicContact OD2-CE1 2.79Å; D59-H81 IonicContact OD2-CG 3.47Å; D59-H81 IonicContact OD2-ND1 3.93Å; D59-H81 PolarHBondContact OD2-ND1 3.1Å; Y79-H81 VanDerWaalsContact C-N 3.26Å; Y79-H81 WeakPolarHBondContact CB-CE1 3.48Å; Y79-H81 VanDerWaalsContact CB-ND1 3.32Å; Y79-H81 WeakPolarHBondContact CB-ND1 3.29Å; Y79-H81 AromaticContact CD1-CE1 3.77Å; Y79-H81 AromaticContact CD2-CE1 3.89Å; Y79-H81 AromaticContact CG-CE1 3.34Å; Y79-H81 AromaticContact CG-ND1 3.94Å; Y79-H81 PolarHBondContact O-N 3.42Å; H81-P84 WeakPolarHBondContact O-CD 3.42Å
82	E	96.2	Very high	96.7	Very high	26 Å²	26	43.1 Å²	43.1	12%	0.121	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-89.3	-19.9	170.6	-59.3	174.6	168.4	0	0	112.3	Y79 S80 P84 R85 R108 H253	Y79-E82 WeakPolarHBondContact CD2-OE1 3.18Å; Y79-E82 WeakPolarHBondContact O-CB 3.3Å; Y79-E82 PolarHBondContact O-N 3.48Å; Y79-E82 VanDerWaalsContact O-N 3.16Å; S80-E82 PolarHBondContact O-N 3.38Å; S80-E82 VanDerWaalsContact O-N 3.13Å; E82-P84 VanDerWaalsContact C-N 3.31Å; E82-R85 VanDerWaalsContact O-CB 3.24Å; E82-R85 WeakPolarHBondContact O-CB 3.34Å; E82-R85 PolarHBondContact O-N 2.88Å; E82-R108 IonicContact OE1-NH1 3.67Å; E82-R108 PolarHBondContact OE1-NH1 3.03Å; E82-R108 IonicContact OE2-CZ 3.53Å; E82-R108 IonicContact OE2-NH1 3.49Å; E82-R108 PolarHBondContact OE2-NH1 2.91Å; E82-R108 IonicContact OE2-NH2 3.86Å; E82-R108 PolarHBondContact OE2-NH2 2.95Å; E82-H253 IonicContact OE1-CE1 3.46Å; E82-H253 PolarHBondContact OE1-CE1 2.72Å; E82-H253 VanDerWaalsContact OE1-CE1 3.26Å; E82-H253 IonicContact OE1-ND1 2.61Å; E82-H253 PolarHBondContact OE1-ND1 2.97Å
83	L	96.9	Very high	96.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-58.6	-28.7	-179.6	-62.1	178.7	0	0	0	115.4	S80 R85 Y86 G87 V88 L92 A97 C100 T101 L104 I247	S80-L83 VanDerWaalsContact O-CB 3.24Å; S80-L83 WeakPolarHBondContact O-CB 3.38Å; S80-L83 WeakPolarHBondContact O-CG 3.46Å; S80-L83 PolarHBondContact O-N 3.46Å; L83-R85 PolarHBondContact O-N 3.09Å; L83-R85 VanDerWaalsContact O-N 3.15Å; L83-Y86 CarbonylContact O-C 3.42Å; L83-Y86 WeakPolarHBondContact O-CA 3.47Å; L83-Y86 PolarHBondContact O-N 2.9Å; L83-G87 PolarHBondContact O-N 2.93Å; L83-V88 CarbonylContact C-O 3.51Å; L83-V88 HydrophobicContact CB-CB 4.06Å; L83-V88 PolarHBondContact O-N 3.45Å; L83-L92 HydrophobicContact CB-CD2 4.28Å; L83-A97 HydrophobicContact CD1-CB 3.85Å; L83-C100 HydrophobicContact CD1-CB 4Å; L83-C100 HydrophobicContact CD2-CB 3.64Å; L83-C100 HydrophobicContact CG-CB 4.49Å; L83-T101 HydrophobicContact CD1-CG2 3.87Å; L83-T101 HydrophobicContact CD2-CG2 4.34Å; L83-T101 HydrophobicContact CG-CG2 4.14Å; L83-L104 HydrophobicContact CD2-CD2 4.49Å; L83-I247 HydrophobicContact CD2-CD1 4.16Å
84	P	96.8	Very high	96.5	Very high	52 Å²	52	38.3 Å²	38.3	34%	0.338	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-56	-28.4	172.6	-29.8	37.2	0	0	0	114.1	H81 E82 Y86 G87 V88 L92	H81-P84 WeakPolarHBondContact O-CD 3.42Å; E82-P84 VanDerWaalsContact C-N 3.31Å; P84-Y86 PolarHBondContact O-N 3.31Å; P84-G87 PolarHBondContact O-N 3.14Å; P84-V88 VanDerWaalsContact CA-O 3.25Å; P84-V88 WeakPolarHBondContact CA-O 3.36Å; P84-V88 VanDerWaalsContact N-O 3.17Å; P84-L92 HydrophobicContact CG-CD1 4.49Å; P84-L92 HydrophobicContact CG-CD2 4.35Å
85	R	95.3	Very high	96.5	Very high	114 Å²	114	34.8 Å²	34.8	43%	0.43	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-61.4	-33.4	172.6	-176	-171.1	177.3	-167.8	-0.3	111.9	E82 L83 D250 S252	E82-R85 VanDerWaalsContact O-CB 3.24Å; E82-R85 WeakPolarHBondContact O-CB 3.34Å; E82-R85 PolarHBondContact O-N 2.88Å; L83-R85 PolarHBondContact O-N 3.09Å; L83-R85 VanDerWaalsContact O-N 3.15Å; R85-D250 IonicContact CZ-OD2 3.88Å; R85-D250 IonicContact NH1-OD2 2.73Å; R85-D250 IonicContact NH2-OD2 2.83Å; R85-D250 PolarHBondContact NH2-OD2 3.46Å; R85-S252 PolarHBondContact NH1-O 3.01Å; R85-S252 PolarHBondContact NH1-OG 3.14Å; R85-S252 VanDerWaalsContact NH1-OG 3.15Å
86	Y	96.7	Very high	96.6	Very high	11 Å²	11	33 Å²	33	4%	0.043	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-95.3	10	-177	-58.4	-72.5	0	0	0	112.7	L83 P84 L104 A243 A246 I247 D250 S252	L83-Y86 CarbonylContact O-C 3.42Å; L83-Y86 WeakPolarHBondContact O-CA 3.47Å; L83-Y86 PolarHBondContact O-N 2.9Å; P84-Y86 PolarHBondContact O-N 3.31Å; Y86-L104 HydrophobicContact CD2-CD2 4.44Å; Y86-L104 HydrophobicContact CE2-CD1 3.83Å; Y86-L104 HydrophobicContact CE2-CD2 3.82Å; Y86-L104 HydrophobicContact CE2-CG 4.49Å; Y86-A243 WeakPolarHBondContact O-CA 3.47Å; Y86-A243 VanDerWaalsContact O-CB 3.25Å; Y86-A243 WeakPolarHBondContact O-CB 3.47Å; Y86-A246 HydrophobicContact CD1-CB 3.91Å; Y86-I247 HydrophobicContact CD1-CG1 3.75Å; Y86-I247 HydrophobicContact CD2-CG1 3.91Å; Y86-I247 HydrophobicContact CE1-CG1 4.14Å; Y86-I247 HydrophobicContact CE2-CG1 4.3Å; Y86-I247 HydrophobicContact CG-CD1 4.45Å; Y86-I247 HydrophobicContact CG-CG1 3.61Å; Y86-D250 WeakPolarHBondContact CE1-O 3.37Å; Y86-D250 PolarHBondContact OH-O 3.11Å; Y86-S252 PolarHBondContact OH-O 3.47Å
87	G	95.2	Very high	96.6	Very high	34 Å²	34	32.3 Å²	32.3	35%	0.351	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.1	-16.6	175.4	0	0	0	0	0	115.5	L83 P84 K89	L83-G87 PolarHBondContact O-N 2.93Å; P84-G87 PolarHBondContact O-N 3.14Å; G87-K89 PolarHBondContact O-N 2.9Å; G87-K89 VanDerWaalsContact O-N 3.13Å
88	V	96.4	Very high	96.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.			trans	-85.6	88.5	177.5	-174.6	0	0	0	0	110	L83 P84 V90 L92 M239 Y240 A243	L83-V88 CarbonylContact C-O 3.51Å; L83-V88 HydrophobicContact CB-CB 4.06Å; L83-V88 PolarHBondContact O-N 3.45Å; P84-V88 VanDerWaalsContact CA-O 3.25Å; P84-V88 WeakPolarHBondContact CA-O 3.36Å; P84-V88 VanDerWaalsContact N-O 3.17Å; V88-V90 WeakPolarHBondContact CG1-O 3.4Å; V88-L92 HydrophobicContact CG1-CD2 4.39Å; V88-M239 HydrophobicContact CG1-CE 4.14Å; V88-M239 HydrophobicContact CG2-CE 4.44Å; V88-M239 HydrophobicContact CG2-CG 4.45Å; V88-Y240 HydrophobicContact CG1-CE1 3.84Å; V88-Y240 HydrophobicContact CG2-CD1 3.88Å; V88-Y240 HydrophobicContact CG2-CE1 3.85Å; V88-A243 HydrophobicContact CG2-CB 3.57Å
89	K	94.8	Very high	96.7	Very high	116 Å²	116	30.9 Å²	30.9	50%	0.504	16%	0.161	S	C	.	.			trans	-78	-25.9	-175.4	-65.3	-178.9	-178.9	173.7	0	114.2	G87	G87-K89 PolarHBondContact O-N 2.9Å; G87-K89 VanDerWaalsContact O-N 3.13Å
90	V	95.5	Very high	96.7	Very high	17 Å²	17	28.4 Å²	28.4	10%	0.103	15%	0.151	C	C	.	.	S	Bend	trans	-137.2	167.9	-174.7	-65.7	0	0	0	0	111.1	V88 Y226 H229 I231	V88-V90 WeakPolarHBondContact CG1-O 3.4Å; V90-Y226 HydrophobicContact CB-CD2 4.41Å; V90-Y226 HydrophobicContact CB-CE2 4.25Å; V90-Y226 HydrophobicContact CG2-CD1 3.68Å; V90-Y226 HydrophobicContact CG2-CD2 3.88Å; V90-Y226 HydrophobicContact CG2-CE1 3.6Å; V90-Y226 HydrophobicContact CG2-CE2 3.81Å; V90-Y226 HydrophobicContact CG2-CG 3.81Å; V90-H229 VanDerWaalsContact CG1-CD2 3.41Å; V90-H229 WeakPolarHBondContact CG1-CD2 3.25Å; V90-I231 HydrophobicContact CG2-CD1 3.58Å
91	G	94.7	Very high	96.7	Very high	21 Å²	21	28.4 Å²	28.4	22%	0.216	15%	0.151	C	C	.	.			trans	74	35.8	178.9	0	0	0	0	0	113.6	T93 N94 A97	G91-T93 PolarHBondContact O-N 2.75Å; G91-N94 PolarHBondContact O-N 3.27Å; G91-N94 PolarHBondContact O-OD1 2.74Å; G91-A97 WeakPolarHBondContact O-CB 3.47Å
92	L	96.8	Very high	96.8	Very high	37 Å²	37	23.9 Å²	23.9	19%	0.194	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-3.8	-170.1	-55.8	-178.1	0	0	0	115.2	I60 S80 L83 P84 V88	I60-L92 VanDerWaalsContact CD1-O 3.3Å; I60-L92 WeakPolarHBondContact CD1-O 3.09Å; I60-L92 WeakPolarHBondContact CG1-O 3.38Å; S80-L92 WeakPolarHBondContact CB-O 3.07Å; S80-L92 PolarHBondContact OG-O 2.86Å; S80-L92 VanDerWaalsContact OG-O 3.12Å; L83-L92 HydrophobicContact CB-CD2 4.28Å; P84-L92 HydrophobicContact CG-CD1 4.49Å; P84-L92 HydrophobicContact CG-CD2 4.35Å; V88-L92 HydrophobicContact CG1-CD2 4.39Å
93	T	97	Very high	96.8	Very high	53 Å²	53	22.6 Å²	22.6	33%	0.325	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	2.9	-177	54.5	0	0	0	0	114.1	K58 G91 N158	K58-T93 VanDerWaalsContact C-CG2 3.46Å; G91-T93 PolarHBondContact O-N 2.75Å; T93-N158 PolarHBondContact O-ND2 3.26Å
94	N	96.3	Very high	96.9	Very high	20 Å²	20	22.6 Å²	22.6	11%	0.107	12%	0.124	C	C	.	.	S	Bend	trans	-79.9	177.1	-179.8	70.7	6.9	0	0	0	112.3	G91 S96 A97 A98 Y240	G91-N94 PolarHBondContact O-N 3.27Å; G91-N94 PolarHBondContact O-OD1 2.74Å; N94-S96 VanDerWaalsContact C-N 3.33Å; N94-S96 PolarHBondContact O-N 2.81Å; N94-S96 PolarHBondContact OD1-N 3.13Å; N94-A97 PolarHBondContact O-N 3.27Å; N94-A97 WeakPolarHBondContact OD1-CB 3.41Å; N94-A97 PolarHBondContact OD1-N 3.31Å; N94-A98 PolarHBondContact O-N 2.93Å; N94-Y240 PolarHBondContact ND2-OH 3.46Å; N94-Y240 PolarHBondContact OD1-OH 3.46Å
95	Y	97.3	Very high	96.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.9	-42	-179.9	-168.4	-88.4	0	0	0	112.1	A98 Y99 G161 P181 H195 R198 I199	Y95-A98 VanDerWaalsContact O-CB 3.29Å; Y95-A98 WeakPolarHBondContact O-CB 3.28Å; Y95-A98 PolarHBondContact O-N 2.86Å; Y95-Y99 PolarHBondContact O-N 3.3Å; Y95-G161 PolarHBondContact OH-N 3.35Å; Y95-P181 HydrophobicContact CD2-CG 4.33Å; Y95-P181 HydrophobicContact CE1-CG 4.16Å; Y95-P181 HydrophobicContact CE2-CG 3.69Å; Y95-P181 WeakPolarHBondContact OH-CD 3.48Å; Y95-H195 AromaticContact CE1-NE2 3.76Å; Y95-H195 AromaticContact CZ-NE2 3.61Å; Y95-H195 PolarHBondContact OH-NE2 3.19Å; Y95-R198 HydrophobicContact CD1-CB 4.22Å; Y95-R198 HydrophobicContact CD1-CG 3.67Å; Y95-R198 HydrophobicContact CD2-CG 4.31Å; Y95-R198 HydrophobicContact CE1-CB 4.4Å; Y95-R198 HydrophobicContact CE1-CG 4.15Å; Y95-R198 HydrophobicContact CG-CG 3.77Å; Y95-I199 HydrophobicContact CE1-CG1 3.91Å
96	S	97.6	Very high	97.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.5	-45.5	179.6	-52.7	0	0	0	0	112.3	N94 A98 Y99 C100 R198 I199 G201 Y240	N94-S96 VanDerWaalsContact C-N 3.33Å; N94-S96 PolarHBondContact O-N 2.81Å; N94-S96 PolarHBondContact OD1-N 3.13Å; S96-A98 VanDerWaalsContact C-N 3.29Å; S96-A98 PolarHBondContact O-N 3.35Å; S96-Y99 WeakPolarHBondContact O-CB 3.42Å; S96-Y99 PolarHBondContact O-N 3.35Å; S96-C100 PolarHBondContact O-N 3.25Å; S96-C100 PolarHBondContact O-SG 2.97Å; S96-R198 PolarHBondContact OG-O 3.05Å; S96-I199 WeakPolarHBondContact CA-O 3.34Å; S96-I199 WeakPolarHBondContact CB-O 3.11Å; S96-I199 PolarHBondContact OG-O 3.12Å; S96-G201 VanDerWaalsContact OG-CA 3.29Å; S96-G201 WeakPolarHBondContact OG-CA 3.07Å; S96-G201 PolarHBondContact OG-N 3.04Å; S96-Y240 VanDerWaalsContact CB-CE1 3.44Å; S96-Y240 VanDerWaalsContact CB-CE2 3.46Å
97	A	97.9	Very high	97.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.7	-36	173.7	0	0	0	0	0	111.5	I60 L83 G91 N94 C100 T101	I60-A97 HydrophobicContact CD1-CB 4.14Å; L83-A97 HydrophobicContact CD1-CB 3.85Å; G91-A97 WeakPolarHBondContact O-CB 3.47Å; N94-A97 PolarHBondContact O-N 3.27Å; N94-A97 WeakPolarHBondContact OD1-CB 3.41Å; N94-A97 PolarHBondContact OD1-N 3.31Å; A97-C100 PolarHBondContact O-N 3.5Å; A97-T101 WeakPolarHBondContact O-CG2 3.26Å; A97-T101 PolarHBondContact O-N 3.45Å; A97-T101 PolarHBondContact O-OG1 2.94Å
98	A	98.3	Very high	97.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.9	-47.6	172.6	0	0	0	0	0	111	F55 I60 N94 Y95 S96 T101 G102 N158 A162	F55-A98 HydrophobicContact CE1-CB 4.27Å; F55-A98 HydrophobicContact CZ-CB 3.71Å; I60-A98 VanDerWaalsContact CD1-CA 3.49Å; I60-A98 HydrophobicContact CD1-CB 3.76Å; N94-A98 PolarHBondContact O-N 2.93Å; Y95-A98 VanDerWaalsContact O-CB 3.29Å; Y95-A98 WeakPolarHBondContact O-CB 3.28Å; Y95-A98 PolarHBondContact O-N 2.86Å; S96-A98 VanDerWaalsContact C-N 3.29Å; S96-A98 PolarHBondContact O-N 3.35Å; A98-T101 PolarHBondContact O-N 3.05Å; A98-T101 PolarHBondContact O-OG1 2.89Å; A98-G102 PolarHBondContact O-N 3.2Å; A98-N158 HydrophobicContact CB-CB 4.46Å; A98-N158 WeakPolarHBondContact CB-O 3.5Å; A98-A162 HydrophobicContact CB-CB 4.3Å; A98-A162 VanDerWaalsContact O-CA 3.22Å; A98-A162 WeakPolarHBondContact O-CA 3.29Å
99	Y	98.3	Very high	97.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-56.8	-50.4	173.9	180	-82.2	0	0	0	112	Y95 S96 T101 G102 L103 G161 K164 G165 D168 I199 H244	Y95-Y99 PolarHBondContact O-N 3.3Å; S96-Y99 WeakPolarHBondContact O-CB 3.42Å; S96-Y99 PolarHBondContact O-N 3.35Å; Y99-T101 VanDerWaalsContact C-N 3.34Å; Y99-T101 PolarHBondContact O-N 2.93Å; Y99-G102 PolarHBondContact O-N 3.32Å; Y99-L103 HydrophobicContact CE1-CD2 4.36Å; Y99-L103 WeakPolarHBondContact O-CB 3.17Å; Y99-L103 PolarHBondContact O-N 3.39Å; Y99-G161 VanDerWaalsContact CA-O 3.25Å; Y99-G161 WeakPolarHBondContact CA-O 3.48Å; Y99-K164 HydrophobicContact CD2-CB 4.19Å; Y99-K164 HydrophobicContact CD2-CG 4.04Å; Y99-K164 HydrophobicContact CE2-CB 4.41Å; Y99-K164 HydrophobicContact CE2-CG 3.83Å; Y99-G165 VanDerWaalsContact CD2-CA 3.5Å; Y99-G165 WeakPolarHBondContact O-CA 3.22Å; Y99-D168 HydrophobicContact CE2-CB 4.43Å; Y99-D168 WeakPolarHBondContact CE2-OD2 3.45Å; Y99-D168 WeakPolarHBondContact OH-CB 3.49Å; Y99-D168 PolarHBondContact OH-OD2 2.88Å; Y99-D168 VanDerWaalsContact OH-OD2 3.1Å; Y99-I199 HydrophobicContact CD1-CG2 3.71Å; Y99-I199 HydrophobicContact CD2-CB 4.49Å; Y99-I199 HydrophobicContact CD2-CD1 4.02Å; Y99-I199 HydrophobicContact CD2-CG1 3.92Å; Y99-I199 HydrophobicContact CD2-CG2 3.75Å; Y99-I199 HydrophobicContact CE1-CG2 3.95Å; Y99-I199 HydrophobicContact CE2-CD1 3.9Å; Y99-I199 HydrophobicContact CE2-CG1 4.28Å; Y99-I199 HydrophobicContact CE2-CG2 3.94Å; Y99-I199 HydrophobicContact CG-CG1 4.45Å; Y99-I199 HydrophobicContact CG-CG2 3.63Å; Y99-H244 AromaticContact CD1-CE1 3.73Å; Y99-H244 AromaticContact CD1-NE2 3.35Å; Y99-H244 WeakPolarHBondContact CD1-NE2 3.15Å; Y99-H244 AromaticContact CE1-CD2 3.99Å; Y99-H244 AromaticContact CE1-CE1 3.52Å; Y99-H244 AromaticContact CE1-NE2 3.47Å; Y99-H244 WeakPolarHBondContact CE1-NE2 3.49Å
100	C	98.1	Very high	97.3	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-59.8	-41.2	178.1	-55.7	0	0	0	0	112.6	L83 S96 A97 L103 L104 H244 I247	L83-C100 HydrophobicContact CD1-CB 4Å; L83-C100 HydrophobicContact CD2-CB 3.64Å; L83-C100 HydrophobicContact CG-CB 4.49Å; S96-C100 PolarHBondContact O-N 3.25Å; S96-C100 PolarHBondContact O-SG 2.97Å; A97-C100 PolarHBondContact O-N 3.5Å; C100-L103 PolarHBondContact O-N 2.82Å; C100-L104 WeakPolarHBondContact O-CB 3.4Å; C100-L104 PolarHBondContact O-N 3.21Å; C100-H244 PolarHBondContact SG-NE2 3.1Å; C100-I247 HydrophobicContact CB-CD1 3.99Å
101	T	98.3	Very high	97.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-67.5	-36.2	177.8	55.7	0	0	0	0	113	I60 S80 L83 A97 A98 Y99 C105	I60-T101 HydrophobicContact CB-CG2 4.29Å; S80-T101 VanDerWaalsContact CA-CG2 3.42Å; L83-T101 HydrophobicContact CD1-CG2 3.87Å; L83-T101 HydrophobicContact CD2-CG2 4.34Å; L83-T101 HydrophobicContact CG-CG2 4.14Å; A97-T101 WeakPolarHBondContact O-CG2 3.26Å; A97-T101 PolarHBondContact O-N 3.45Å; A97-T101 PolarHBondContact O-OG1 2.94Å; A98-T101 PolarHBondContact O-N 3.05Å; A98-T101 PolarHBondContact O-OG1 2.89Å; Y99-T101 VanDerWaalsContact C-N 3.34Å; Y99-T101 PolarHBondContact O-N 2.93Å; T101-C105 WeakPolarHBondContact O-CB 3.47Å; T101-C105 PolarHBondContact O-N 3.16Å
102	G	98	Very high	97.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.6	-48.7	172.4	0	0	0	0	0	111.7	A98 Y99 L104 C105 A106 A162	A98-G102 PolarHBondContact O-N 3.2Å; Y99-G102 PolarHBondContact O-N 3.32Å; G102-L104 VanDerWaalsContact C-N 3.35Å; G102-L104 PolarHBondContact O-N 3.25Å; G102-C105 WeakPolarHBondContact O-CB 3.5Å; G102-C105 PolarHBondContact O-N 3Å; G102-A106 PolarHBondContact O-N 2.85Å; G102-A162 WeakPolarHBondContact CA-O 3.29Å
103	L	97.7	Very high	97.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-58.1	-46	176.6	179.6	63.6	0	0	0	111.7	Y99 C100 C105 A106 R107 G165 G169 H244 I247	Y99-L103 HydrophobicContact CE1-CD2 4.36Å; Y99-L103 WeakPolarHBondContact O-CB 3.17Å; Y99-L103 PolarHBondContact O-N 3.39Å; C100-L103 PolarHBondContact O-N 2.82Å; L103-C105 VanDerWaalsContact C-N 3.34Å; L103-C105 PolarHBondContact O-N 3.05Å; L103-A106 PolarHBondContact O-N 2.97Å; L103-R107 HydrophobicContact CD1-CG 4.15Å; L103-R107 WeakPolarHBondContact O-CG 3.49Å; L103-R107 PolarHBondContact O-N 3.41Å; L103-G165 WeakPolarHBondContact CA-O 3.36Å; L103-G165 PolarHBondContact N-O 2.93Å; L103-G169 VanDerWaalsContact CD1-CA 3.49Å; L103-H244 HydrophobicContact CD2-CB 4.09Å; L103-I247 HydrophobicContact CD2-CG2 4.22Å; L103-I247 HydrophobicContact CG-CG2 3.95Å
104	L	97.9	Very high	97.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.3	-41.9	177.1	-179.1	59.7	0	0	0	112	A78 L83 Y86 C100 G102 R108 I247 P251	A78-L104 HydrophobicContact CB-CB 4.2Å; A78-L104 HydrophobicContact CB-CD2 4.1Å; A78-L104 HydrophobicContact CB-CG 3.97Å; L83-L104 HydrophobicContact CD2-CD2 4.49Å; Y86-L104 HydrophobicContact CD2-CD2 4.44Å; Y86-L104 HydrophobicContact CE2-CD1 3.83Å; Y86-L104 HydrophobicContact CE2-CD2 3.82Å; Y86-L104 HydrophobicContact CE2-CG 4.49Å; C100-L104 WeakPolarHBondContact O-CB 3.4Å; C100-L104 PolarHBondContact O-N 3.21Å; G102-L104 VanDerWaalsContact C-N 3.35Å; G102-L104 PolarHBondContact O-N 3.25Å; L104-R108 HydrophobicContact CD1-CG 4.42Å; L104-R108 WeakPolarHBondContact O-CB 3.39Å; L104-R108 VanDerWaalsContact O-CG 3.23Å; L104-R108 WeakPolarHBondContact O-CG 3.22Å; L104-R108 PolarHBondContact O-N 3.44Å; L104-I247 HydrophobicContact CB-CD1 4.42Å; L104-I247 HydrophobicContact CB-CG2 3.98Å; L104-I247 HydrophobicContact CD1-CG1 4.41Å; L104-I247 HydrophobicContact CD1-CG2 3.94Å; L104-P251 HydrophobicContact CD1-CB 4.37Å
105	C	97.8	Very high	97	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.2	-44.2	176.6	-165.6	0	0	0	0	111.7	C62 A78 T101 G102 L103 V109	C62-C105 HydrophobicContact CB-CB 4.06Å; A78-C105 HydrophobicContact CB-CB 3.79Å; T101-C105 WeakPolarHBondContact O-CB 3.47Å; T101-C105 PolarHBondContact O-N 3.16Å; G102-C105 WeakPolarHBondContact O-CB 3.5Å; G102-C105 PolarHBondContact O-N 3Å; L103-C105 VanDerWaalsContact C-N 3.34Å; L103-C105 PolarHBondContact O-N 3.05Å; C105-V109 VanDerWaalsContact O-CG2 3.31Å; C105-V109 WeakPolarHBondContact O-CG2 3.46Å; C105-V109 PolarHBondContact O-N 3.13Å; C105-V109 VanDerWaalsContact O-N 3.11Å
106	A	97.8	Very high	96.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.9	-54	177.7	0	0	0	0	0	112.5	G102 L103 R108 V109 L110 A166 L171	G102-A106 PolarHBondContact O-N 2.85Å; L103-A106 PolarHBondContact O-N 2.97Å; A106-R108 VanDerWaalsContact C-N 3.26Å; A106-R108 PolarHBondContact O-N 3.28Å; A106-V109 PolarHBondContact O-N 3.27Å; A106-V109 VanDerWaalsContact O-N 3.16Å; A106-L110 WeakPolarHBondContact O-CG 3.42Å; A106-L110 PolarHBondContact O-N 3.34Å; A106-A166 VanDerWaalsContact CB-O 3.3Å; A106-A166 WeakPolarHBondContact CB-O 3.14Å; A106-L171 HydrophobicContact CB-CD1 3.88Å; A106-L171 HydrophobicContact CB-CD2 4.29Å; A106-L171 HydrophobicContact CB-CG 3.63Å
107	R	97.5	Very high	96.4	Very high	21 Å²	21	24.2 Å²	24.2	8%	0.079	15%	0.146	C	C	.	.	H	α-helix	trans	-61	-35.5	-179.8	-63.7	-48.8	-62.3	166.8	-3.2	112.3	L103 K111 D116 Y119 A120 G169 I247 R248 P251	L103-R107 HydrophobicContact CD1-CG 4.15Å; L103-R107 WeakPolarHBondContact O-CG 3.49Å; L103-R107 PolarHBondContact O-N 3.41Å; R107-K111 VanDerWaalsContact O-CB 3.29Å; R107-K111 WeakPolarHBondContact O-CB 3.35Å; R107-K111 PolarHBondContact O-N 3.18Å; R107-D116 PolarHBondContact NH2-O 2.77Å; R107-Y119 PolarHBondContact NH1-O 3.2Å; R107-A120 PolarHBondContact NH1-O 3.38Å; R107-G169 VanDerWaalsContact CD-O 3.3Å; R107-G169 WeakPolarHBondContact CD-O 3.41Å; R107-G169 PolarHBondContact NH1-O 2.87Å; R107-G169 VanDerWaalsContact NH1-O 3.12Å; R107-I247 HydrophobicContact CG-CG2 4.46Å; R107-R248 HydrophobicContact CG-CG 4.45Å; R107-P251 HydrophobicContact CB-CB 3.69Å; R107-P251 HydrophobicContact CB-CG 4.08Å
108	R	97.1	Very high	96.1	Very high	19 Å²	19	27.6 Å²	27.6	7%	0.072	16%	0.164	C	C	.	.	H	α-helix	trans	-63	-48.3	173.9	-81.6	178.2	-179.5	169	8.6	113.2	C76 S77 E82 L104 A106 L110 K111 Q112 P251 S252	C76-R108 WeakPolarHBondContact SG-CB 3.35Å; S77-R108 PolarHBondContact O-NH1 3.27Å; E82-R108 IonicContact OE1-NH1 3.67Å; E82-R108 PolarHBondContact OE1-NH1 3.03Å; E82-R108 IonicContact OE2-CZ 3.53Å; E82-R108 IonicContact OE2-NH1 3.49Å; E82-R108 PolarHBondContact OE2-NH1 2.91Å; E82-R108 IonicContact OE2-NH2 3.86Å; E82-R108 PolarHBondContact OE2-NH2 2.95Å; L104-R108 HydrophobicContact CD1-CG 4.42Å; L104-R108 WeakPolarHBondContact O-CB 3.39Å; L104-R108 VanDerWaalsContact O-CG 3.23Å; L104-R108 WeakPolarHBondContact O-CG 3.22Å; L104-R108 PolarHBondContact O-N 3.44Å; A106-R108 VanDerWaalsContact C-N 3.26Å; A106-R108 PolarHBondContact O-N 3.28Å; R108-L110 VanDerWaalsContact C-N 3.35Å; R108-K111 PolarHBondContact O-N 2.89Å; R108-Q112 VanDerWaalsContact O-CB 3.29Å; R108-Q112 WeakPolarHBondContact O-CB 3.47Å; R108-Q112 PolarHBondContact O-N 3.47Å; R108-P251 WeakPolarHBondContact CD-O 3.43Å; R108-P251 HydrophobicContact CG-CB 3.89Å; R108-P251 WeakPolarHBondContact CG-O 3.32Å; R108-P251 PolarHBondContact NE-O 3.44Å; R108-S252 PolarHBondContact NH2-O 3.41Å
109	V	96.7	Very high	95.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.3	-44.5	-178.5	170.7	0	0	0	0	110.2	I64 L75 C76 C105 A106 Q112 L113 F142	I64-V109 HydrophobicContact CB-CG2 4.21Å; I64-V109 HydrophobicContact CD1-CB 4.33Å; I64-V109 HydrophobicContact CD1-CG1 4.25Å; I64-V109 HydrophobicContact CD1-CG2 3.72Å; I64-V109 HydrophobicContact CG1-CG2 3.84Å; L75-V109 HydrophobicContact CD2-CG1 4.16Å; C76-V109 HydrophobicContact CB-CG2 3.26Å; C105-V109 VanDerWaalsContact O-CG2 3.31Å; C105-V109 WeakPolarHBondContact O-CG2 3.46Å; C105-V109 PolarHBondContact O-N 3.13Å; C105-V109 VanDerWaalsContact O-N 3.11Å; A106-V109 PolarHBondContact O-N 3.27Å; A106-V109 VanDerWaalsContact O-N 3.16Å; V109-Q112 PolarHBondContact O-N 2.89Å; V109-L113 HydrophobicContact CG1-CD1 3.79Å; V109-L113 HydrophobicContact CG1-CG 4.45Å; V109-L113 WeakPolarHBondContact O-CB 3.2Å; V109-L113 VanDerWaalsContact O-CG 3.3Å; V109-L113 WeakPolarHBondContact O-CG 3.4Å; V109-L113 PolarHBondContact O-N 3.11Å; V109-F142 HydrophobicContact CG1-CD1 4.26Å; V109-F142 HydrophobicContact CG1-CD2 4.32Å; V109-F142 HydrophobicContact CG1-CE1 4.22Å; V109-F142 HydrophobicContact CG1-CE2 4.29Å; V109-F142 HydrophobicContact CG1-CG 4.29Å; V109-F142 HydrophobicContact CG1-CZ 4.22Å
110	L	96.6	Very high	95.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-43.5	178.5	-65.5	174.3	0	0	0	111.5	A106 R108 Q112 L113 G114 L115 D116 Y119 F142 G169 L171	A106-L110 WeakPolarHBondContact O-CG 3.42Å; A106-L110 PolarHBondContact O-N 3.34Å; R108-L110 VanDerWaalsContact C-N 3.35Å; L110-Q112 VanDerWaalsContact C-N 3.35Å; L110-Q112 PolarHBondContact O-N 2.94Å; L110-L113 CarbonylContact O-C 3.59Å; L110-L113 PolarHBondContact O-N 3.28Å; L110-G114 PolarHBondContact O-N 2.98Å; L110-L115 HydrophobicContact CB-CB 4.37Å; L110-L115 HydrophobicContact CD2-CB 3.75Å; L110-L115 HydrophobicContact CD2-CD1 4.3Å; L110-L115 PolarHBondContact O-N 2.92Å; L110-D116 HydrophobicContact CB-CB 4.21Å; L110-Y119 WeakPolarHBondContact CD1-O 3.19Å; L110-F142 HydrophobicContact CD2-CB 4.27Å; L110-G169 WeakPolarHBondContact CD1-O 3.34Å; L110-L171 HydrophobicContact CD2-CD2 4.18Å; L110-L171 HydrophobicContact CG-CD2 4.16Å
111	K	95.8	Very high	95.3	Very high	100 Å²	100	31 Å²	31	44%	0.435	19%	0.191	S	C	.	.	H	α-helix	trans	-62.6	-40.2	174.7	-171.6	172.3	-174.8	169.9	0	112.2	R107 R108 L113 G114 D116 D250 P251	R107-K111 VanDerWaalsContact O-CB 3.29Å; R107-K111 WeakPolarHBondContact O-CB 3.35Å; R107-K111 PolarHBondContact O-N 3.18Å; R108-K111 PolarHBondContact O-N 2.89Å; K111-L113 VanDerWaalsContact C-N 3.27Å; K111-L113 PolarHBondContact O-N 3.07Å; K111-G114 PolarHBondContact O-N 3.26Å; K111-D116 HydrophobicContact CB-CB 4.36Å; K111-D250 IonicContact NZ-OD1 2.87Å; K111-P251 HydrophobicContact CB-CG 4.21Å; K111-P251 HydrophobicContact CD-CG 3.57Å
112	Q	95	Very high	95.1	Very high	113 Å²	113	31.5 Å²	31.5	53%	0.528	20%	0.196	S	C	.	.	H	α-helix	trans	-65.5	-29.4	176.9	-176.8	178.8	-5.4	0	0	112.7	L75 R108 V109 L110	L75-Q112 PolarHBondContact O-NE2 2.99Å; L75-Q112 PolarHBondContact O-OE1 3.16Å; R108-Q112 VanDerWaalsContact O-CB 3.29Å; R108-Q112 WeakPolarHBondContact O-CB 3.47Å; R108-Q112 PolarHBondContact O-N 3.47Å; V109-Q112 PolarHBondContact O-N 2.89Å; L110-Q112 VanDerWaalsContact C-N 3.35Å; L110-Q112 PolarHBondContact O-N 2.94Å
113	L	94.7	Very high	94.4	Very high	64 Å²	64	39.9 Å²	39.9	34%	0.335	24%	0.235	S	C	.	.	H	α-helix	trans	-96.3	-3.2	179.4	-63.7	176	0	0	0	113.7	V109 L110 K111 L115 F142	V109-L113 HydrophobicContact CG1-CD1 3.79Å; V109-L113 HydrophobicContact CG1-CG 4.45Å; V109-L113 WeakPolarHBondContact O-CB 3.2Å; V109-L113 VanDerWaalsContact O-CG 3.3Å; V109-L113 WeakPolarHBondContact O-CG 3.4Å; V109-L113 PolarHBondContact O-N 3.11Å; L110-L113 CarbonylContact O-C 3.59Å; L110-L113 PolarHBondContact O-N 3.28Å; K111-L113 VanDerWaalsContact C-N 3.27Å; K111-L113 PolarHBondContact O-N 3.07Å; L113-L115 HydrophobicContact CB-CD1 4.16Å; L113-L115 HydrophobicContact CB-CG 4.16Å; L113-L115 HydrophobicContact CD1-CD1 4.46Å; L113-F142 HydrophobicContact CD1-CD2 3.33Å; L113-F142 HydrophobicContact CD1-CE2 3.55Å; L113-F142 HydrophobicContact CD1-CG 4.28Å
114	G	94.1	Very high	94	Very high	52 Å²	52	47.4 Å²	47.4	54%	0.536	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	34	-175.4	0	0	0	0	0	113.6	L110 K111	L110-G114 PolarHBondContact O-N 2.98Å; K111-G114 PolarHBondContact O-N 3.26Å
115	L	94	Very high	93.7	Very high	11 Å²	11	48.2 Å²	48.2	6%	0.058	27%	0.273	C	S	.	.			trans	-112.2	2.7	-179	-67.7	179.7	0	0	0	113	L110 L113 G117 L118 Y119 K139	L110-L115 HydrophobicContact CB-CB 4.37Å; L110-L115 HydrophobicContact CD2-CB 3.75Å; L110-L115 HydrophobicContact CD2-CD1 4.3Å; L110-L115 PolarHBondContact O-N 2.92Å; L113-L115 HydrophobicContact CB-CD1 4.16Å; L113-L115 HydrophobicContact CB-CG 4.16Å; L113-L115 HydrophobicContact CD1-CD1 4.46Å; L115-G117 VanDerWaalsContact C-N 3.31Å; L115-G117 PolarHBondContact O-N 3.28Å; L115-L118 HydrophobicContact CD2-CD1 4.22Å; L115-L118 PolarHBondContact O-N 2.7Å; L115-Y119 HydrophobicContact CB-CD2 4.26Å; L115-Y119 HydrophobicContact CD2-CE2 4.4Å; L115-Y119 PolarHBondContact O-N 2.79Å; L115-K139 HydrophobicContact CD2-CB 3.77Å; L115-K139 HydrophobicContact CD2-CD 3.96Å
116	D	91.4	Very high	93.4	Very high	60 Å²	60	50.9 Å²	50.9	32%	0.321	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-27	-173.6	56.7	-51.2	0	0	0	114	R107 L110 K111	R107-D116 PolarHBondContact NH2-O 2.77Å; L110-D116 HydrophobicContact CB-CB 4.21Å; K111-D116 HydrophobicContact CB-CB 4.36Å
117	G	91	Very high	93.1	Very high	69 Å²	69	50.9 Å²	50.9	71%	0.711	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-41.6	173.6	0	0	0	0	0	113.7	L115	L115-G117 VanDerWaalsContact C-N 3.31Å; L115-G117 PolarHBondContact O-N 3.28Å
118	L	92.1	Very high	92.9	Very high	70 Å²	70	55.3 Å²	55.3	37%	0.366	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-43	-179.6	-69.6	173.2	0	0	0	112	L115 E138	L115-L118 HydrophobicContact CD2-CD1 4.22Å; L115-L118 PolarHBondContact O-N 2.7Å; L118-E138 HydrophobicContact CD1-CB 4.13Å; L118-E138 HydrophobicContact CD1-CG 4.41Å; L118-E138 HydrophobicContact CD2-CB 4.47Å; L118-E138 HydrophobicContact CD2-CG 4Å
119	Y	94	Very high	92.8	Very high	7 Å²	7	59 Å²	59	3%	0.027	33%	0.327	C	S	.	.			trans	-114.9	77.8	-176.1	-58.3	-68.7	0	0	0	110.1	R107 L110 L115 G121 V132 E133 V135 K139 A141	R107-Y119 PolarHBondContact NH1-O 3.2Å; L110-Y119 WeakPolarHBondContact CD1-O 3.19Å; L115-Y119 HydrophobicContact CB-CD2 4.26Å; L115-Y119 HydrophobicContact CD2-CE2 4.4Å; L115-Y119 PolarHBondContact O-N 2.79Å; Y119-G121 PolarHBondContact O-N 2.86Å; Y119-V132 HydrophobicContact CD1-CG1 3.52Å; Y119-V132 HydrophobicContact CE1-CG1 4.13Å; Y119-V132 HydrophobicContact CG-CG1 4.28Å; Y119-E133 WeakPolarHBondContact CE1-O 3.29Å; Y119-V135 HydrophobicContact CE1-CG2 4.25Å; Y119-V135 PolarHBondContact OH-N 3.47Å; Y119-K139 VanDerWaalsContact CE2-O 3.22Å; Y119-K139 WeakPolarHBondContact CE2-O 3.06Å; Y119-K139 PolarHBondContact OH-O 3.32Å; Y119-A141 HydrophobicContact CD1-CB 4.22Å; Y119-A141 HydrophobicContact CE1-CB 3.89Å; Y119-A141 HydrophobicContact CE2-CB 4.35Å; Y119-A141 PolarHBondContact OH-N 3.2Å
120	A	92.2	Very high	92.6	Very high	53 Å²	53	62.4 Å²	62.4	44%	0.438	34%	0.34	S	S	.	.			trans	-66.7	-24.4	176.3	0	0	0	0	0	113	R107	R107-A120 PolarHBondContact NH1-O 3.38Å
121	G	92.7	Very high	92.6	Very high	11 Å²	11	66.1 Å²	66.1	11%	0.113	36%	0.357	C	S	.	.			trans	80.5	-158.7	-173.7	0	0	0	0	0	112.1	Y119 E123 D168	Y119-G121 PolarHBondContact O-N 2.86Å; G121-E123 PolarHBondContact O-N 3.17Å; G121-D168 CarbonylContact C-O 3.52Å; G121-D168 WeakPolarHBondContact CA-O 3.37Å
122	A	92.2	Very high	92.4	Very high	11 Å²	11	61.9 Å²	61.9	9%	0.091	34%	0.34	C	S	.	.			trans	-71	125	178.1	0	0	0	0	0	110.3	Y130 D168 R248	A122-Y130 HydrophobicContact CB-CD1 4.1Å; A122-Y130 HydrophobicContact CB-CE1 4.29Å; A122-Y130 HydrophobicContact CB-CG 4.28Å; A122-D168 HydrophobicContact CB-CB 4.1Å; A122-D168 PolarHBondContact N-O 3.44Å; A122-R248 PolarHBondContact O-NH2 3.45Å
123	E	83.4	Confident	92.3	Very high	176 Å²	176	64.6 Å²	64.6	82%	0.822	35%	0.352	S	S	*	.	S	Bend	trans	-68.1	-43.3	179.1	-64.9	-173.9	168	0	0	111.9	G121	G121-E123 PolarHBondContact O-N 3.17Å
124	K	90.1	Very high	92.2	Very high	159 Å²	159	64.2 Å²	64.2	69%	0.691	36%	0.355	S	S	*	.	S	Bend	trans	-107.5	145.1	-179.1	-63.6	-179.7	-174.9	174.2	0	110.2	D126	K124-D126 PolarHBondContact O-N 2.81Å
125	V	91.7	Very high	92.1	Very high	17 Å²	17	65.2 Å²	65.2	10%	0.103	35%	0.351	C	S	.	.			trans	-90.9	81	173.2	-173	0	0	0	0	107.8	R196 I199	V125-R196 WeakPolarHBondContact O-CD 3.3Å; V125-R196 WeakPolarHBondContact O-CG 3.4Å; V125-R196 PolarHBondContact O-NE 2.77Å; V125-I199 HydrophobicContact CG1-CB 4.37Å; V125-I199 HydrophobicContact CG1-CD1 4.2Å; V125-I199 HydrophobicContact CG1-CG2 3.65Å
126	D	91.1	Very high	92	Very high	56 Å²	56	72.4 Å²	72.4	30%	0.299	39%	0.389	S	S	.	.			trans	-97	-13.4	-179.4	59.5	7.7	0	0	0	113.3	K124 Q128	K124-D126 PolarHBondContact O-N 2.81Å; D126-Q128 HydrophobicContact CB-CG 4.16Å; D126-Q128 PolarHBondContact O-N 3Å; D126-Q128 WeakPolarHBondContact OD1-CB 3.31Å; D126-Q128 PolarHBondContact OD1-N 2.93Å; D126-Q128 WeakPolarHBondContact OD2-CG 3.34Å; D126-Q128 PolarHBondContact OD2-OE1 3.44Å
127	G	92	Very high	91.9	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	42%	0.417	C	S	.	.			trans	77.5	2.9	-176.4	0	0	0	0	0	114	Y190 H195	G127-Y190 WeakPolarHBondContact O-CE1 3.35Å; G127-Y190 PolarHBondContact O-OH 2.97Å; G127-H195 PolarHBondContact O-ND1 3.47Å
128	Q	93.7	Very high	92	Very high	113 Å²	113	75.7 Å²	75.7	53%	0.528	41%	0.407	S	S	.	.			trans	-68.4	161.1	-179.1	-66.9	-174.5	1.1	0	0	112.1	D126 Y130 K164 A192	D126-Q128 HydrophobicContact CB-CG 4.16Å; D126-Q128 PolarHBondContact O-N 3Å; D126-Q128 WeakPolarHBondContact OD1-CB 3.31Å; D126-Q128 PolarHBondContact OD1-N 2.93Å; D126-Q128 WeakPolarHBondContact OD2-CG 3.34Å; D126-Q128 PolarHBondContact OD2-OE1 3.44Å; Q128-Y130 PolarHBondContact O-N 3.23Å; Q128-K164 WeakPolarHBondContact O-CE 3.37Å; Q128-K164 PolarHBondContact O-NZ 3.23Å; Q128-A192 HydrophobicContact CG-CB 3.92Å
129	E	93.9	Very high	92	Very high	97 Å²	97	78.9 Å²	78.9	45%	0.453	42%	0.419	S	S	.	.			trans	-67.1	124.6	170.1	-175.4	167.8	-169.5	0	0	109.3	H131 Y175 P177	E129-H131 IonicContact OE1-CD2 3.36Å; E129-H131 IonicContact OE1-CE1 2.91Å; E129-H131 IonicContact OE1-NE2 2.74Å; E129-H131 PolarHBondContact OE1-NE2 3.49Å; E129-Y175 HydrophobicContact CG-CE2 4.24Å; E129-P177 WeakPolarHBondContact OE2-CG 3.23Å
130	Y	94.1	Very high	92	Very high	71 Å²	71	82.7 Å²	82.7	28%	0.278	45%	0.446	S	S	.	.			trans	-136.2	127.6	-177.5	176.5	-108.4	0	0	0	109	A122 Q128 V132 V167 Y175	A122-Y130 HydrophobicContact CB-CD1 4.1Å; A122-Y130 HydrophobicContact CB-CE1 4.29Å; A122-Y130 HydrophobicContact CB-CG 4.28Å; Q128-Y130 PolarHBondContact O-N 3.23Å; Y130-V132 HydrophobicContact CD1-CG2 4.33Å; Y130-V132 HydrophobicContact CE1-CG2 3.48Å; Y130-V132 VanDerWaalsContact CE1-CG2 3.48Å; Y130-V167 HydrophobicContact CD1-CG1 4.07Å; Y130-V167 WeakPolarHBondContact O-CG1 2.88Å; Y130-Y175 PolarHBondContact N-OH 3.3Å; Y130-Y175 WeakPolarHBondContact O-CE1 3.34Å; Y130-Y175 PolarHBondContact O-OH 3.31Å
131	H	94.8	Very high	92.2	Very high	78 Å²	78	80.6 Å²	80.6	36%	0.361	43%	0.429	S	S	.	.			trans	-123.9	131.2	173.3	-64.1	-76.9	0	0	0	107.7	E129 E133 Y175	E129-H131 IonicContact OE1-CD2 3.36Å; E129-H131 IonicContact OE1-CE1 2.91Å; E129-H131 IonicContact OE1-NE2 2.74Å; E129-H131 PolarHBondContact OE1-NE2 3.49Å; H131-E133 PolarHBondContact O-N 2.93Å; H131-Y175 AromaticContact CE1-CD1 3.75Å; H131-Y175 AromaticContact CE1-CE1 3.39Å; H131-Y175 WeakPolarHBondContact CE1-CE1 3.25Å; H131-Y175 AromaticContact CE1-CZ 3.66Å; H131-Y175 AromaticContact ND1-CE1 3.56Å
132	V	93.1	Very high	92.4	Very high	12 Å²	12	80.8 Å²	80.8	7%	0.073	43%	0.427	C	S	.	.			trans	-79.1	115.4	179.7	-176	0	0	0	0	108.2	Y119 Y130 A141	Y119-V132 HydrophobicContact CD1-CG1 3.52Å; Y119-V132 HydrophobicContact CE1-CG1 4.13Å; Y119-V132 HydrophobicContact CG-CG1 4.28Å; Y130-V132 HydrophobicContact CD1-CG2 4.33Å; Y130-V132 HydrophobicContact CE1-CG2 3.48Å; Y130-V132 VanDerWaalsContact CE1-CG2 3.48Å; V132-A141 HydrophobicContact CG1-CB 3.91Å
133	E	92.7	Very high	92.6	Very high	170 Å²	170	87.4 Å²	87.4	79%	0.794	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-84.5	145.9	172.2	-63.1	-173.8	167	0	0	110	Y119 H131	Y119-E133 WeakPolarHBondContact CE1-O 3.29Å; H131-E133 PolarHBondContact O-N 2.93Å
134	S	93	Very high	93.3	Very high	56 Å²	56	79 Å²	79	39%	0.392	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-77.7	137.8	174.9	-64.7	0	0	0	0	109.6	A141	S134-A141 PolarHBondContact OG-N 3.12Å
135	V	91.7	Very high	93.6	Very high	73 Å²	73	73.6 Å²	73.6	44%	0.442	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-79.6	129	176.7	-178.7	0	0	0	0	109.4	Y119 G137 E138	Y119-V135 HydrophobicContact CE1-CG2 4.25Å; Y119-V135 PolarHBondContact OH-N 3.47Å; V135-G137 PolarHBondContact O-N 3.11Å; V135-E138 HydrophobicContact CB-CB 4.19Å; V135-E138 HydrophobicContact CB-CG 4.48Å; V135-E138 HydrophobicContact CG1-CB 4.38Å; V135-E138 HydrophobicContact CG1-CG 4.19Å; V135-E138 PolarHBondContact O-N 2.94Å
136	D	90.4	Very high	93.9	Very high	162 Å²	162	74.6 Å²	74.6	87%	0.866	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	134.4	178.6	-72.5	-31.1	0	0	0	111.5	E138	D136-E138 PolarHBondContact O-N 3.27Å
137	G	90.4	Very high	94.2	Very high	88 Å²	88	72.6 Å²	72.6	91%	0.907	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-14.1	-178.3	0	0	0	0	0	115	V135	V135-G137 PolarHBondContact O-N 3.11Å
138	E	92.2	Very high	94.4	Very high	109 Å²	109	75.2 Å²	75.2	51%	0.509	39%	0.394	S	S	.	.	S	Bend	trans	-102.2	173.2	177.9	-70.4	-65.9	168.5	0	0	112.2	L118 V135 D136 S140	L118-E138 HydrophobicContact CD1-CB 4.13Å; L118-E138 HydrophobicContact CD1-CG 4.41Å; L118-E138 HydrophobicContact CD2-CB 4.47Å; L118-E138 HydrophobicContact CD2-CG 4Å; V135-E138 HydrophobicContact CB-CB 4.19Å; V135-E138 HydrophobicContact CB-CG 4.48Å; V135-E138 HydrophobicContact CG1-CB 4.38Å; V135-E138 HydrophobicContact CG1-CG 4.19Å; V135-E138 PolarHBondContact O-N 2.94Å; D136-E138 PolarHBondContact O-N 3.27Å; E138-S140 PolarHBondContact O-N 3.27Å
139	K	92.6	Very high	94.5	Very high	138 Å²	138	70.7 Å²	70.7	60%	0.6	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-61.9	131.7	172.9	-71.3	179.3	-176.8	170.3	0	109.9	L115 Y119	L115-K139 HydrophobicContact CD2-CB 3.77Å; L115-K139 HydrophobicContact CD2-CD 3.96Å; Y119-K139 VanDerWaalsContact CE2-O 3.22Å; Y119-K139 WeakPolarHBondContact CE2-O 3.06Å; Y119-K139 PolarHBondContact OH-O 3.32Å
140	S	94	Very high	94.6	Very high	87 Å²	87	70.9 Å²	70.9	61%	0.608	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-60	153.6	179.2	-47.3	0	0	0	0	113.3	E138	E138-S140 PolarHBondContact O-N 3.27Å
141	A	95.8	Very high	94.7	Very high	8 Å²	8	69.4 Å²	69.4	7%	0.066	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-57.3	146.6	176.3	0	0	0	0	0	111.4	Y119 V132 S134 R143 D172	Y119-A141 HydrophobicContact CD1-CB 4.22Å; Y119-A141 HydrophobicContact CE1-CB 3.89Å; Y119-A141 HydrophobicContact CE2-CB 4.35Å; Y119-A141 PolarHBondContact OH-N 3.2Å; V132-A141 HydrophobicContact CG1-CB 3.91Å; S134-A141 PolarHBondContact OG-N 3.12Å; A141-R143 PolarHBondContact O-N 3.11Å; A141-D172 HydrophobicContact CB-CB 4.04Å
142	F	97	Very high	94.7	Very high	16 Å²	16	76 Å²	76	7%	0.07	41%	0.405	C	S	.	.			trans	-72.5	101.8	-176.7	-173.5	-88.3	0	0	0	110.8	Y49 I64 L75 V109 L110 L113 C144 L171 D172	Y49-F142 HydrophobicContact CD1-CE2 4.46Å; Y49-F142 AromaticContact CD1-CZ 3.68Å; Y49-F142 HydrophobicContact CD1-CZ 3.68Å; Y49-F142 HydrophobicContact CD2-CE1 4.28Å; Y49-F142 AromaticContact CD2-CE2 3.94Å; Y49-F142 HydrophobicContact CD2-CE2 3.94Å; Y49-F142 AromaticContact CD2-CZ 3.58Å; Y49-F142 HydrophobicContact CD2-CZ 3.58Å; Y49-F142 HydrophobicContact CE1-CE2 4.34Å; Y49-F142 AromaticContact CE1-CZ 3.95Å; Y49-F142 HydrophobicContact CE1-CZ 3.95Å; Y49-F142 AromaticContact CE2-CE2 3.81Å; Y49-F142 HydrophobicContact CE2-CE2 3.81Å; Y49-F142 AromaticContact CE2-CZ 3.87Å; Y49-F142 HydrophobicContact CE2-CZ 3.87Å; Y49-F142 HydrophobicContact CG-CE1 4.06Å; Y49-F142 HydrophobicContact CG-CE2 4.26Å; Y49-F142 AromaticContact CG-CZ 3.47Å; Y49-F142 HydrophobicContact CG-CZ 3.47Å; Y49-F142 VanDerWaalsContact CG-CZ 3.47Å; I64-F142 HydrophobicContact CD1-CD1 4.27Å; I64-F142 HydrophobicContact CD1-CE1 3.71Å; I64-F142 HydrophobicContact CG2-CE1 3.8Å; I64-F142 HydrophobicContact CG2-CZ 3.85Å; L75-F142 HydrophobicContact CD2-CE2 4.04Å; L75-F142 HydrophobicContact CD2-CZ 3.86Å; V109-F142 HydrophobicContact CG1-CD1 4.26Å; V109-F142 HydrophobicContact CG1-CD2 4.32Å; V109-F142 HydrophobicContact CG1-CE1 4.22Å; V109-F142 HydrophobicContact CG1-CE2 4.29Å; V109-F142 HydrophobicContact CG1-CG 4.29Å; V109-F142 HydrophobicContact CG1-CZ 4.22Å; L110-F142 HydrophobicContact CD2-CB 4.27Å; L113-F142 HydrophobicContact CD1-CD2 3.33Å; L113-F142 HydrophobicContact CD1-CE2 3.55Å; L113-F142 HydrophobicContact CD1-CG 4.28Å; F142-C144 HydrophobicContact CD1-CB 4.36Å; F142-C144 HydrophobicContact CE1-CB 3.99Å; F142-L171 HydrophobicContact CB-CD2 4.07Å; F142-L171 HydrophobicContact CD1-CD2 3.94Å; F142-L171 HydrophobicContact CG-CD2 4.35Å; F142-D172 PolarHBondContact O-N 2.98Å
143	R	97.1	Very high	94.7	Very high	149 Å²	149	77.9 Å²	77.9	56%	0.562	42%	0.417	S	S	*	.	B	Isolated β-bridge	trans	-80.9	125.6	-179.4	-169.4	167.1	-171.3	172.7	3.5	112.9	A141 D172	A141-R143 PolarHBondContact O-N 3.11Å; R143-D172 CarbonylContact C-O 3.57Å; R143-D172 VanDerWaalsContact CA-O 3.29Å; R143-D172 WeakPolarHBondContact CA-O 3.43Å; R143-D172 HydrophobicContact CB-CB 4.38Å; R143-D172 WeakPolarHBondContact CB-OD2 3.44Å; R143-D172 VanDerWaalsContact CD-OD2 3.31Å; R143-D172 WeakPolarHBondContact CD-OD2 3.34Å; R143-D172 VanDerWaalsContact CG-OD2 3.25Å; R143-D172 WeakPolarHBondContact CG-OD2 3.34Å; R143-D172 IonicContact NE-OD2 3.17Å
144	C	97.2	Very high	94.8	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	40%	0.398	C	S	.	.			trans	-144.5	169.6	170.9	68.9	0	0	0	0	112.8	Y49 F142 D172 I173 P174	Y49-C144 WeakPolarHBondContact O-CA 3.32Å; F142-C144 HydrophobicContact CD1-CB 4.36Å; F142-C144 HydrophobicContact CE1-CB 3.99Å; C144-D172 PolarHBondContact N-O 3.49Å; C144-I173 WeakPolarHBondContact O-CA 3.34Å; C144-I173 VanDerWaalsContact SG-CG1 3.52Å; C144-P174 WeakPolarHBondContact O-CD 3.38Å
145	H	97.8	Very high	94.7	Very high	46 Å²	46	72 Å²	72	21%	0.213	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.6	-177.1	-55.3	-60.2	0	0	0	112.2	L36 Y49 R50 L51 D147	L36-H145 HydrophobicContact CD1-CB 3.86Å; Y49-H145 PolarHBondContact O-N 3Å; R50-H145 CarbonylContact C-O 3.59Å; R50-H145 WeakPolarHBondContact CA-O 3.49Å; R50-H145 VanDerWaalsContact CB-O 3.28Å; R50-H145 WeakPolarHBondContact CB-O 3.36Å; L51-H145 PolarHBondContact N-O 3.3Å; H145-D147 PolarHBondContact O-N 3.28Å
146	L	97.8	Very high	94.7	Very high	38 Å²	38	69.6 Å²	69.6	20%	0.199	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	125.5	178.6	-176.1	67.3	0	0	0	111.9	L51 V53 I148 I159 F160 L163	L51-L146 HydrophobicContact CD2-CD1 4.37Å; V53-L146 HydrophobicContact CB-CD1 4.49Å; V53-L146 HydrophobicContact CG2-CD1 3.74Å; L146-I148 HydrophobicContact CD2-CG2 3.77Å; L146-I148 HydrophobicContact CG-CG2 3.94Å; L146-I159 HydrophobicContact CD1-CG2 4.37Å; L146-I159 HydrophobicContact CD2-CG2 4.3Å; L146-F160 HydrophobicContact CD2-CD1 4.27Å; L146-F160 HydrophobicContact CD2-CE1 4.1Å; L146-L163 HydrophobicContact CB-CD1 4.38Å; L146-L163 HydrophobicContact CD1-CB 4.42Å; L146-L163 HydrophobicContact CD2-CB 4.3Å; L146-L163 HydrophobicContact CD2-CD1 4.42Å; L146-L163 HydrophobicContact CD2-CD2 4.15Å
147	D	97.7	Very high	95	Very high	14 Å²	14	62.7 Å²	62.7	8%	0.075	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	102.5	169.1	-174.3	-25.2	0	0	0	109.7	L36 R50 L51 V52 V53 R54 H145 G149	L36-D147 HydrophobicContact CD2-CB 3.41Å; L36-D147 VanDerWaalsContact CD2-CB 3.41Å; L36-D147 VanDerWaalsContact CD2-CG 3.45Å; R50-D147 HydrophobicContact CB-CB 4.36Å; R50-D147 WeakPolarHBondContact CD-OD2 3.46Å; R50-D147 IonicContact NE-OD2 3.26Å; L51-D147 PolarHBondContact O-N 3.14Å; V52-D147 HydrophobicContact CB-CB 4.42Å; V52-D147 HydrophobicContact CG2-CB 3.9Å; V53-D147 PolarHBondContact N-O 3.44Å; R54-D147 IonicContact CZ-OD1 3.05Å; R54-D147 PolarHBondContact NH1-O 2.96Å; R54-D147 IonicContact NH1-OD1 3.33Å; R54-D147 IonicContact NH2-OD1 3.96Å; R54-D147 PolarHBondContact NH2-OD1 3.19Å; R54-D147 IonicContact NH2-OD2 3.07Å; H145-D147 PolarHBondContact O-N 3.28Å; D147-G149 WeakPolarHBondContact OD1-CA 3.39Å; D147-G149 PolarHBondContact OD1-N 3.46Å
148	I	95.6	Very high	95.3	Very high	55 Å²	55	60.9 Å²	60.9	28%	0.282	32%	0.319	S	S	.	.			trans	-79.2	-15.2	178.4	61.4	170.8	0	0	0	114	R54 L146 L150 A151 T153 I159	R54-I148 VanDerWaalsContact NH1-C 3.29Å; L146-I148 HydrophobicContact CD2-CG2 3.77Å; L146-I148 HydrophobicContact CG-CG2 3.94Å; I148-L150 PolarHBondContact O-N 3.2Å; I148-A151 PolarHBondContact O-N 3.36Å; I148-T153 HydrophobicContact CB-CG2 4.43Å; I148-T153 HydrophobicContact CD1-CG2 3.42Å; I148-T153 VanDerWaalsContact CD1-CG2 3.42Å; I148-T153 HydrophobicContact CG2-CG2 4.07Å; I148-I159 HydrophobicContact CG2-CG2 4.12Å
149	G	95.5	Very high	95.5	Very high	17 Å²	17	56.4 Å²	56.4	18%	0.175	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	-113.1	-173.4	0	0	0	0	0	113.2	R54 D147	R54-G149 VanDerWaalsContact CZ-CA 3.49Å; R54-G149 VanDerWaalsContact NH2-CA 3.26Å; D147-G149 WeakPolarHBondContact OD1-CA 3.39Å; D147-G149 PolarHBondContact OD1-N 3.46Å
150	L	96.4	Very high	95.7	Very high	102 Å²	102	50.6 Å²	50.6	53%	0.534	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	5.1	-177.8	-67.2	176.4	0	0	0	112.8	G26 D29 I148	G26-L150 WeakPolarHBondContact O-CD1 3.33Å; D29-L150 HydrophobicContact CB-CD2 3.66Å; I148-L150 PolarHBondContact O-N 3.2Å
151	A	95.3	Very high	95.9	Very high	39 Å²	39	46.5 Å²	46.5	32%	0.322	24%	0.244	S	C	.	.			trans	-71.6	147.9	-177.8	0	0	0	0	0	111.6	I148 I159	I148-A151 PolarHBondContact O-N 3.36Å; A151-I159 HydrophobicContact CB-CD1 3.02Å; A151-I159 HydrophobicContact CB-CG1 4.49Å
152	R	95.1	Very high	96	Very high	217 Å²	217	46.1 Å²	46.1	82%	0.819	24%	0.241	S	C	*	.			trans	-75	127.5	175.5	-176.5	174.5	-73	-164.1	-2.6	109.7	S154	R152-S154 VanDerWaalsContact C-N 3.29Å; R152-S154 PolarHBondContact O-N 3.34Å
153	T	94.3	Very high	96	Very high	52 Å²	52	45.6 Å²	45.6	32%	0.319	24%	0.239	S	C	.	.			trans	-89.7	56.6	178.7	46	0	0	0	0	112	I148 F160 R179	I148-T153 HydrophobicContact CB-CG2 4.43Å; I148-T153 HydrophobicContact CD1-CG2 3.42Å; I148-T153 VanDerWaalsContact CD1-CG2 3.42Å; I148-T153 HydrophobicContact CG2-CG2 4.07Å; T153-F160 HydrophobicContact CG2-CE2 4.31Å; T153-F160 HydrophobicContact CG2-CZ 3.75Å; T153-R179 VanDerWaalsContact O-CZ 3.25Å; T153-R179 PolarHBondContact O-NE 3.49Å; T153-R179 PolarHBondContact O-NH1 2.74Å
154	S	93.1	Very high	96	Very high	57 Å²	57	38.5 Å²	38.5	40%	0.399	21%	0.212	S	C	.	.			trans	-72.6	156	170.4	52.7	0	0	0	0	110.9	R152 G156 A157	R152-S154 VanDerWaalsContact C-N 3.29Å; R152-S154 PolarHBondContact O-N 3.34Å; S154-G156 PolarHBondContact O-N 3.07Å; S154-A157 WeakPolarHBondContact O-CB 3.42Å; S154-A157 PolarHBondContact O-N 3.18Å
155	S	92.2	Very high	96.1	Very high	46 Å²	46	38.5 Å²	38.5	32%	0.322	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	134.5	171.9	-61.7	0	0	0	0	109.9	A157 S178 Q185	S155-A157 VanDerWaalsContact C-N 3.32Å; S155-A157 PolarHBondContact O-N 3.11Å; S155-S178 PolarHBondContact OG-O 3.47Å; S155-Q185 PolarHBondContact OG-NE2 3.37Å
156	G	92.2	Very high	96.1	Very high	21 Å²	21	36.3 Å²	36.3	22%	0.216	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	7.9	-178.5	0	0	0	0	0	115.7	S154 R179	S154-G156 PolarHBondContact O-N 3.07Å; G156-R179 PolarHBondContact N-O 3.41Å
157	A	95.9	Very high	96	Very high	17 Å²	17	34.5 Å²	34.5	14%	0.14	19%	0.193	C	C	.	.			trans	-62.4	138.6	176.5	0	0	0	0	0	111.7	S154 S155 I159 F160	S154-A157 WeakPolarHBondContact O-CB 3.42Å; S154-A157 PolarHBondContact O-N 3.18Å; S155-A157 VanDerWaalsContact C-N 3.32Å; S155-A157 PolarHBondContact O-N 3.11Å; A157-I159 PolarHBondContact O-N 3.11Å; A157-F160 HydrophobicContact CB-CD2 3.91Å; A157-F160 HydrophobicContact CB-CE2 4.11Å; A157-F160 WeakPolarHBondContact O-CB 3.46Å; A157-F160 PolarHBondContact O-N 3.49Å
158	N	95.7	Very high	96	Very high	50 Å²	50	33.9 Å²	33.9	27%	0.267	19%	0.19	S	C	.	.	H	α-helix	trans	-57.9	-23.5	-175.7	-63.9	-3.9	0	0	0	114.3	F55 T93 A98 F160 G161 A162	F55-N158 HydrophobicContact CD1-CB 4.46Å; F55-N158 HydrophobicContact CE1-CB 3.51Å; F55-N158 HydrophobicContact CE2-CB 4.32Å; F55-N158 HydrophobicContact CZ-CB 3.43Å; F55-N158 VanDerWaalsContact CZ-CB 3.43Å; F55-N158 WeakPolarHBondContact CZ-O 3.46Å; T93-N158 PolarHBondContact O-ND2 3.26Å; A98-N158 HydrophobicContact CB-CB 4.46Å; A98-N158 WeakPolarHBondContact CB-O 3.5Å; N158-F160 PolarHBondContact O-N 3.47Å; N158-G161 WeakPolarHBondContact O-CA 3.2Å; N158-G161 PolarHBondContact O-N 3.17Å; N158-A162 PolarHBondContact O-N 3.08Å
159	I	96.7	Very high	96.1	Very high	15 Å²	15	31.2 Å²	31.2	8%	0.077	18%	0.176	C	C	.	.	H	α-helix	trans	-58.7	-35.5	174.5	-69.3	170.2	0	0	0	111.8	V53 F55 L146 I148 A151 A157 G161 A162 L163	V53-I159 HydrophobicContact CB-CG2 4.21Å; V53-I159 HydrophobicContact CG1-CG1 4.27Å; V53-I159 HydrophobicContact CG1-CG2 4.21Å; F55-I159 HydrophobicContact CD2-CD1 4.37Å; F55-I159 HydrophobicContact CD2-CG1 3.58Å; F55-I159 HydrophobicContact CE2-CB 4.2Å; F55-I159 HydrophobicContact CE2-CG1 3.38Å; F55-I159 HydrophobicContact CZ-CG1 4.46Å; L146-I159 HydrophobicContact CD1-CG2 4.37Å; L146-I159 HydrophobicContact CD2-CG2 4.3Å; I148-I159 HydrophobicContact CG2-CG2 4.12Å; A151-I159 HydrophobicContact CB-CD1 3.02Å; A151-I159 HydrophobicContact CB-CG1 4.49Å; A157-I159 PolarHBondContact O-N 3.11Å; I159-G161 VanDerWaalsContact C-N 3.28Å; I159-G161 PolarHBondContact O-N 3.35Å; I159-A162 PolarHBondContact O-N 3.3Å; I159-L163 PolarHBondContact O-N 2.82Å; I159-L163 VanDerWaalsContact O-N 3.14Å
160	F	97.4	Very high	96.1	Very high	17 Å²	17	30.4 Å²	30.4	8%	0.075	17%	0.168	C	C	.	.	H	α-helix	trans	-73.3	-23.1	177.1	-61.1	-67.3	0	0	0	112.1	L146 T153 A157 N158 L163 K164 R179 F180	L146-F160 HydrophobicContact CD2-CD1 4.27Å; L146-F160 HydrophobicContact CD2-CE1 4.1Å; T153-F160 HydrophobicContact CG2-CE2 4.31Å; T153-F160 HydrophobicContact CG2-CZ 3.75Å; A157-F160 HydrophobicContact CB-CD2 3.91Å; A157-F160 HydrophobicContact CB-CE2 4.11Å; A157-F160 WeakPolarHBondContact O-CB 3.46Å; A157-F160 PolarHBondContact O-N 3.49Å; N158-F160 PolarHBondContact O-N 3.47Å; F160-L163 HydrophobicContact CD1-CD2 3.91Å; F160-L163 WeakPolarHBondContact O-CB 3.47Å; F160-L163 PolarHBondContact O-N 2.82Å; F160-K164 PolarHBondContact O-N 3.29Å; F160-R179 HydrophobicContact CD1-CB 4.01Å; F160-R179 HydrophobicContact CD2-CB 3.77Å; F160-R179 HydrophobicContact CE1-CB 3.82Å; F160-R179 HydrophobicContact CE1-CG 4.12Å; F160-R179 HydrophobicContact CE2-CB 3.58Å; F160-R179 HydrophobicContact CE2-CG 4.02Å; F160-R179 HydrophobicContact CG-CB 3.99Å; F160-R179 HydrophobicContact CZ-CB 3.6Å; F160-R179 HydrophobicContact CZ-CG 3.7Å; F160-F180 HydrophobicContact CB-CD1 3.8Å; F160-F180 HydrophobicContact CB-CE1 3.82Å; F160-F180 WeakPolarHBondContact O-CE1 3.38Å
161	G	97.3	Very high	96.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.5	-47.1	167.9	0	0	0	0	0	111.5	Y95 Y99 N158 I159 L163 K164 G165	Y95-G161 PolarHBondContact OH-N 3.35Å; Y99-G161 VanDerWaalsContact CA-O 3.25Å; Y99-G161 WeakPolarHBondContact CA-O 3.48Å; N158-G161 WeakPolarHBondContact O-CA 3.2Å; N158-G161 PolarHBondContact O-N 3.17Å; I159-G161 VanDerWaalsContact C-N 3.28Å; I159-G161 PolarHBondContact O-N 3.35Å; G161-L163 VanDerWaalsContact C-N 3.34Å; G161-L163 PolarHBondContact O-N 2.91Å; G161-K164 PolarHBondContact O-N 3.42Å; G161-G165 PolarHBondContact O-N 3.18Å
162	A	97.9	Very high	96.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.7	-35.8	175.3	0	0	0	0	0	113.2	V53 A98 G102 N158 I159 A166	V53-A162 HydrophobicContact CG1-CB 3.77Å; V53-A162 HydrophobicContact CG2-CB 3.97Å; A98-A162 HydrophobicContact CB-CB 4.3Å; A98-A162 VanDerWaalsContact O-CA 3.22Å; A98-A162 WeakPolarHBondContact O-CA 3.29Å; G102-A162 WeakPolarHBondContact CA-O 3.29Å; N158-A162 PolarHBondContact O-N 3.08Å; I159-A162 PolarHBondContact O-N 3.3Å; A162-A166 VanDerWaalsContact O-CB 3.26Å; A162-A166 WeakPolarHBondContact O-CB 3.35Å; A162-A166 PolarHBondContact O-N 2.92Å
163	L	97.8	Very high	96.4	Very high	5 Å²	5	15.1 Å²	15.1	3%	0.026	10%	0.097	C	C	.	.	H	α-helix	trans	-59.4	-53.4	170.8	171.8	68.1	0	0	0	111	L146 I159 F160 G161 G165 A166 V167 I173 Y175 F180	L146-L163 HydrophobicContact CB-CD1 4.38Å; L146-L163 HydrophobicContact CD1-CB 4.42Å; L146-L163 HydrophobicContact CD2-CB 4.3Å; L146-L163 HydrophobicContact CD2-CD1 4.42Å; L146-L163 HydrophobicContact CD2-CD2 4.15Å; I159-L163 PolarHBondContact O-N 2.82Å; I159-L163 VanDerWaalsContact O-N 3.14Å; F160-L163 HydrophobicContact CD1-CD2 3.91Å; F160-L163 WeakPolarHBondContact O-CB 3.47Å; F160-L163 PolarHBondContact O-N 2.82Å; G161-L163 VanDerWaalsContact C-N 3.34Å; G161-L163 PolarHBondContact O-N 2.91Å; L163-G165 PolarHBondContact O-N 2.97Å; L163-A166 WeakPolarHBondContact O-CB 3.28Å; L163-A166 PolarHBondContact O-N 3.47Å; L163-A166 VanDerWaalsContact O-N 3.13Å; L163-V167 HydrophobicContact CD1-CG2 4.22Å; L163-V167 WeakPolarHBondContact O-CG2 3.42Å; L163-V167 PolarHBondContact O-N 2.94Å; L163-I173 HydrophobicContact CD1-CB 3.95Å; L163-I173 HydrophobicContact CD1-CD1 3.98Å; L163-I173 HydrophobicContact CD1-CG2 3.45Å; L163-I173 VanDerWaalsContact CD1-CG2 3.45Å; L163-Y175 HydrophobicContact CD2-CG 4.22Å; L163-F180 HydrophobicContact CD2-CE1 4.23Å; L163-F180 HydrophobicContact CD2-CZ 4.12Å
164	K	97.9	Very high	96.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-44.8	-177.6	-179.1	61.2	173.4	149.9	0	111.3	Y99 Q128 F160 G161 A166 V167 D168 F180 I199	Y99-K164 HydrophobicContact CD2-CB 4.19Å; Y99-K164 HydrophobicContact CD2-CG 4.04Å; Y99-K164 HydrophobicContact CE2-CB 4.41Å; Y99-K164 HydrophobicContact CE2-CG 3.83Å; Q128-K164 WeakPolarHBondContact O-CE 3.37Å; Q128-K164 PolarHBondContact O-NZ 3.23Å; F160-K164 PolarHBondContact O-N 3.29Å; G161-K164 PolarHBondContact O-N 3.42Å; K164-A166 VanDerWaalsContact C-N 3.28Å; K164-A166 PolarHBondContact O-N 2.87Å; K164-V167 PolarHBondContact O-N 2.83Å; K164-D168 WeakPolarHBondContact CD-OD2 3.49Å; K164-D168 WeakPolarHBondContact CE-OD1 3.44Å; K164-D168 WeakPolarHBondContact CE-OD2 3.17Å; K164-D168 VanDerWaalsContact NZ-CG 3.31Å; K164-D168 IonicContact NZ-OD1 3.65Å; K164-D168 PolarHBondContact NZ-OD1 3.17Å; K164-D168 IonicContact NZ-OD2 3.77Å; K164-D168 PolarHBondContact NZ-OD2 3.04Å; K164-D168 VanDerWaalsContact NZ-OD2 3.17Å; K164-D168 WeakPolarHBondContact O-CB 3.25Å; K164-D168 VanDerWaalsContact O-CG 3.32Å; K164-D168 PolarHBondContact O-N 3.28Å; K164-F180 HydrophobicContact CB-CE1 3.78Å; K164-F180 HydrophobicContact CB-CZ 3.92Å; K164-F180 HydrophobicContact CD-CE2 4.35Å; K164-F180 HydrophobicContact CD-CZ 4.2Å; K164-I199 HydrophobicContact CG-CD1 4.21Å
165	G	97.5	Very high	96.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.5	-36.1	175.8	0	0	0	0	0	113.1	Y99 L103 G161 L163 G169	Y99-G165 VanDerWaalsContact CD2-CA 3.5Å; Y99-G165 WeakPolarHBondContact O-CA 3.22Å; L103-G165 WeakPolarHBondContact CA-O 3.36Å; L103-G165 PolarHBondContact N-O 2.93Å; G161-G165 PolarHBondContact O-N 3.18Å; L163-G165 PolarHBondContact O-N 2.97Å; G165-G169 PolarHBondContact O-N 2.98Å
166	A	97.8	Very high	96.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-69.9	-39.8	177.1	0	0	0	0	0	112.7	L51 A106 A162 L163 K164 G169 L171 I173	L51-A166 HydrophobicContact CD2-CB 3.55Å; A106-A166 VanDerWaalsContact CB-O 3.3Å; A106-A166 WeakPolarHBondContact CB-O 3.14Å; A162-A166 VanDerWaalsContact O-CB 3.26Å; A162-A166 WeakPolarHBondContact O-CB 3.35Å; A162-A166 PolarHBondContact O-N 2.92Å; L163-A166 WeakPolarHBondContact O-CB 3.28Å; L163-A166 PolarHBondContact O-N 3.47Å; L163-A166 VanDerWaalsContact O-N 3.13Å; K164-A166 VanDerWaalsContact C-N 3.28Å; K164-A166 PolarHBondContact O-N 2.87Å; A166-G169 PolarHBondContact O-N 2.76Å; A166-L171 HydrophobicContact CB-CD1 4.18Å; A166-L171 WeakPolarHBondContact O-CB 3.25Å; A166-L171 PolarHBondContact O-N 3.05Å; A166-I173 HydrophobicContact CB-CD1 3.94Å
167	V	97.5	Very high	96.9	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-64.7	-50.3	174.2	167.9	0	0	0	0	110.8	Y130 L163 K164 G169 G170 I173 Y175	Y130-V167 HydrophobicContact CD1-CG1 4.07Å; Y130-V167 WeakPolarHBondContact O-CG1 2.88Å; L163-V167 HydrophobicContact CD1-CG2 4.22Å; L163-V167 WeakPolarHBondContact O-CG2 3.42Å; L163-V167 PolarHBondContact O-N 2.94Å; K164-V167 PolarHBondContact O-N 2.83Å; V167-G169 PolarHBondContact O-N 3.27Å; V167-G169 VanDerWaalsContact O-N 3.12Å; V167-G170 PolarHBondContact O-N 3.34Å; V167-I173 HydrophobicContact CG2-CB 3.95Å; V167-I173 HydrophobicContact CG2-CD1 4.36Å; V167-I173 HydrophobicContact CG2-CG1 4.32Å; V167-Y175 HydrophobicContact CB-CE1 4.33Å; V167-Y175 HydrophobicContact CG1-CE1 3.74Å; V167-Y175 HydrophobicContact CG2-CD1 3.95Å; V167-Y175 HydrophobicContact CG2-CE1 3.81Å
168	D	97.1	Very high	96.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.9	-17.2	179	-67.9	-8.7	0	0	0	112.7	Y99 G121 A122 K164 G170	Y99-D168 HydrophobicContact CE2-CB 4.43Å; Y99-D168 WeakPolarHBondContact CE2-OD2 3.45Å; Y99-D168 WeakPolarHBondContact OH-CB 3.49Å; Y99-D168 PolarHBondContact OH-OD2 2.88Å; Y99-D168 VanDerWaalsContact OH-OD2 3.1Å; G121-D168 CarbonylContact C-O 3.52Å; G121-D168 WeakPolarHBondContact CA-O 3.37Å; A122-D168 HydrophobicContact CB-CB 4.1Å; A122-D168 PolarHBondContact N-O 3.44Å; K164-D168 WeakPolarHBondContact CD-OD2 3.49Å; K164-D168 WeakPolarHBondContact CE-OD1 3.44Å; K164-D168 WeakPolarHBondContact CE-OD2 3.17Å; K164-D168 VanDerWaalsContact NZ-CG 3.31Å; K164-D168 IonicContact NZ-OD1 3.65Å; K164-D168 PolarHBondContact NZ-OD1 3.17Å; K164-D168 IonicContact NZ-OD2 3.77Å; K164-D168 PolarHBondContact NZ-OD2 3.04Å; K164-D168 VanDerWaalsContact NZ-OD2 3.17Å; K164-D168 WeakPolarHBondContact O-CB 3.25Å; K164-D168 VanDerWaalsContact O-CG 3.32Å; K164-D168 PolarHBondContact O-N 3.28Å; D168-G170 VanDerWaalsContact C-N 3.34Å
169	G	96.6	Very high	96.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-10	171.4	0	0	0	0	0	115.1	L103 R107 L110 G165 A166 V167	L103-G169 VanDerWaalsContact CD1-CA 3.49Å; R107-G169 VanDerWaalsContact CD-O 3.3Å; R107-G169 WeakPolarHBondContact CD-O 3.41Å; R107-G169 PolarHBondContact NH1-O 2.87Å; R107-G169 VanDerWaalsContact NH1-O 3.12Å; L110-G169 WeakPolarHBondContact CD1-O 3.34Å; G165-G169 PolarHBondContact O-N 2.98Å; A166-G169 PolarHBondContact O-N 2.76Å; V167-G169 PolarHBondContact O-N 3.27Å; V167-G169 VanDerWaalsContact O-N 3.12Å
170	G	96.1	Very high	96.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.3	13.6	177.3	0	0	0	0	0	115.6	V167 D168	V167-G170 PolarHBondContact O-N 3.34Å; D168-G170 VanDerWaalsContact C-N 3.34Å
171	L	97.3	Very high	96.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.098	C	C	.	.			trans	-88.1	138.5	174.2	-57.2	-174.5	0	0	0	111.8	I64 A106 L110 F142 A166 I173	I64-L171 HydrophobicContact CD1-CD1 3.63Å; A106-L171 HydrophobicContact CB-CD1 3.88Å; A106-L171 HydrophobicContact CB-CD2 4.29Å; A106-L171 HydrophobicContact CB-CG 3.63Å; L110-L171 HydrophobicContact CD2-CD2 4.18Å; L110-L171 HydrophobicContact CG-CD2 4.16Å; F142-L171 HydrophobicContact CB-CD2 4.07Å; F142-L171 HydrophobicContact CD1-CD2 3.94Å; F142-L171 HydrophobicContact CG-CD2 4.35Å; A166-L171 HydrophobicContact CB-CD1 4.18Å; A166-L171 WeakPolarHBondContact O-CB 3.25Å; A166-L171 PolarHBondContact O-N 3.05Å; L171-I173 HydrophobicContact CB-CD1 4.25Å; L171-I173 HydrophobicContact CB-CG1 4.08Å; L171-I173 HydrophobicContact CD1-CD1 4.41Å; L171-I173 PolarHBondContact O-N 2.8Å
172	D	97.4	Very high	96.4	Very high	34 Å²	34	18.6 Å²	18.6	18%	0.182	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-79.8	103.6	167.8	169.5	22.1	0	0	0	108.9	A141 F142 R143 C144	A141-D172 HydrophobicContact CB-CB 4.04Å; F142-D172 PolarHBondContact O-N 2.98Å; R143-D172 CarbonylContact C-O 3.57Å; R143-D172 VanDerWaalsContact CA-O 3.29Å; R143-D172 WeakPolarHBondContact CA-O 3.43Å; R143-D172 HydrophobicContact CB-CB 4.38Å; R143-D172 WeakPolarHBondContact CB-OD2 3.44Å; R143-D172 VanDerWaalsContact CD-OD2 3.31Å; R143-D172 WeakPolarHBondContact CD-OD2 3.34Å; R143-D172 VanDerWaalsContact CG-OD2 3.25Å; R143-D172 WeakPolarHBondContact CG-OD2 3.34Å; R143-D172 IonicContact NE-OD2 3.17Å; C144-D172 PolarHBondContact N-O 3.49Å
173	I	97.6	Very high	96.3	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	12%	0.12	C	C	.	.			trans	-125.3	121.2	172.8	-51.8	179.6	0	0	0	107.2	L51 C144 L163 A166 V167 L171 Y175	L51-I173 HydrophobicContact CB-CD1 4.36Å; L51-I173 HydrophobicContact CD2-CD1 3.66Å; C144-I173 WeakPolarHBondContact O-CA 3.34Å; C144-I173 VanDerWaalsContact SG-CG1 3.52Å; L163-I173 HydrophobicContact CD1-CB 3.95Å; L163-I173 HydrophobicContact CD1-CD1 3.98Å; L163-I173 HydrophobicContact CD1-CG2 3.45Å; L163-I173 VanDerWaalsContact CD1-CG2 3.45Å; A166-I173 HydrophobicContact CB-CD1 3.94Å; V167-I173 HydrophobicContact CG2-CB 3.95Å; V167-I173 HydrophobicContact CG2-CD1 4.36Å; V167-I173 HydrophobicContact CG2-CG1 4.32Å; L171-I173 HydrophobicContact CB-CD1 4.25Å; L171-I173 HydrophobicContact CB-CG1 4.08Å; L171-I173 HydrophobicContact CD1-CD1 4.41Å; L171-I173 PolarHBondContact O-N 2.8Å; I173-Y175 VanDerWaalsContact O-CD1 3.26Å; I173-Y175 WeakPolarHBondContact O-CD1 3.38Å; I173-Y175 PolarHBondContact O-N 2.87Å
174	P	97	Very high	96.1	Very high	68 Å²	68	24.6 Å²	24.6	44%	0.442	14%	0.138	S	C	.	.			trans	-71.4	125.5	176.9	27.8	-33	0	0	0	110.2	C144	C144-P174 WeakPolarHBondContact O-CD 3.38Å
175	Y	96.2	Very high	95.7	Very high	33 Å²	33	30.5 Å²	30.5	13%	0.129	17%	0.165	C	C	.	.			trans	-147.1	172.9	175.8	72.3	-84.8	0	0	0	111.6	E129 Y130 H131 L163 V167 I173 F180	E129-Y175 HydrophobicContact CG-CE2 4.24Å; Y130-Y175 PolarHBondContact N-OH 3.3Å; Y130-Y175 WeakPolarHBondContact O-CE1 3.34Å; Y130-Y175 PolarHBondContact O-OH 3.31Å; H131-Y175 AromaticContact CE1-CD1 3.75Å; H131-Y175 AromaticContact CE1-CE1 3.39Å; H131-Y175 WeakPolarHBondContact CE1-CE1 3.25Å; H131-Y175 AromaticContact CE1-CZ 3.66Å; H131-Y175 AromaticContact ND1-CE1 3.56Å; L163-Y175 HydrophobicContact CD2-CG 4.22Å; V167-Y175 HydrophobicContact CB-CE1 4.33Å; V167-Y175 HydrophobicContact CG1-CE1 3.74Å; V167-Y175 HydrophobicContact CG2-CD1 3.95Å; V167-Y175 HydrophobicContact CG2-CE1 3.81Å; I173-Y175 VanDerWaalsContact O-CD1 3.26Å; I173-Y175 WeakPolarHBondContact O-CD1 3.38Å; I173-Y175 PolarHBondContact O-N 2.87Å; Y175-F180 AromaticContact CD2-CE2 3.56Å; Y175-F180 HydrophobicContact CD2-CE2 3.56Å; Y175-F180 AromaticContact CD2-CZ 3.8Å; Y175-F180 HydrophobicContact CD2-CZ 3.8Å; Y175-F180 HydrophobicContact CE2-CD2 4.44Å; Y175-F180 AromaticContact CE2-CE2 3.35Å; Y175-F180 HydrophobicContact CE2-CE2 3.35Å; Y175-F180 AromaticContact CE2-CZ 3.88Å; Y175-F180 HydrophobicContact CE2-CZ 3.88Å; Y175-F180 HydrophobicContact CG-CZ 4.5Å
176	S	94.7	Very high	95.4	Very high	69 Å²	69	39 Å²	39	48%	0.483	21%	0.205	S	C	.	.			trans	-126	146.1	167.5	166.6	0	0	0	0	108.2	S178	S176-S178 PolarHBondContact O-N 2.71Å
177	P	94.4	Very high	95.1	Very high	13 Å²	13	41.4 Å²	41.4	8%	0.084	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-66.9	-7.6	-177.8	27.9	-36.7	0	0	0	113.6	E129 R179 F180 Y190	E129-P177 WeakPolarHBondContact OE2-CG 3.23Å; P177-R179 PolarHBondContact O-N 2.64Å; P177-F180 HydrophobicContact CB-CD2 4.19Å; P177-F180 PolarHBondContact O-N 3.47Å; P177-Y190 HydrophobicContact CB-CD1 3.92Å; P177-Y190 HydrophobicContact CB-CD2 4.11Å; P177-Y190 HydrophobicContact CB-CE1 4.12Å; P177-Y190 HydrophobicContact CB-CE2 4.34Å; P177-Y190 HydrophobicContact CB-CG 3.89Å
178	S	94.7	Very high	94.9	Very high	34 Å²	34	48.9 Å²	48.9	24%	0.238	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-56.9	-15.7	-173.2	78.4	0	0	0	0	116.1	S155 S176 Y183	S155-S178 PolarHBondContact OG-O 3.47Å; S176-S178 PolarHBondContact O-N 2.71Å; S178-Y183 VanDerWaalsContact CA-CG 3.49Å; S178-Y183 WeakPolarHBondContact O-CD1 3.14Å
179	R	94.7	Very high	94.7	Very high	91 Å²	91	55.3 Å²	55.3	34%	0.343	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-109.2	-5.5	-178.9	-63.5	-60.2	-176.2	-172.6	0	113.8	T153 G156 F160 P177	T153-R179 VanDerWaalsContact O-CZ 3.25Å; T153-R179 PolarHBondContact O-NE 3.49Å; T153-R179 PolarHBondContact O-NH1 2.74Å; G156-R179 PolarHBondContact N-O 3.41Å; F160-R179 HydrophobicContact CD1-CB 4.01Å; F160-R179 HydrophobicContact CD2-CB 3.77Å; F160-R179 HydrophobicContact CE1-CB 3.82Å; F160-R179 HydrophobicContact CE1-CG 4.12Å; F160-R179 HydrophobicContact CE2-CB 3.58Å; F160-R179 HydrophobicContact CE2-CG 4.02Å; F160-R179 HydrophobicContact CG-CB 3.99Å; F160-R179 HydrophobicContact CZ-CB 3.6Å; F160-R179 HydrophobicContact CZ-CG 3.7Å; P177-R179 PolarHBondContact O-N 2.64Å
180	F	96.4	Very high	94.6	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.009	29%	0.294	C	S	.	.	S	Bend	trans	-76.5	154.8	177	-67.2	-44.6	0	0	0	112	F160 L163 K164 Y175 P177 Y183 Y190 H195	F160-F180 HydrophobicContact CB-CD1 3.8Å; F160-F180 HydrophobicContact CB-CE1 3.82Å; F160-F180 WeakPolarHBondContact O-CE1 3.38Å; L163-F180 HydrophobicContact CD2-CE1 4.23Å; L163-F180 HydrophobicContact CD2-CZ 4.12Å; K164-F180 HydrophobicContact CB-CE1 3.78Å; K164-F180 HydrophobicContact CB-CZ 3.92Å; K164-F180 HydrophobicContact CD-CE2 4.35Å; K164-F180 HydrophobicContact CD-CZ 4.2Å; Y175-F180 AromaticContact CD2-CE2 3.56Å; Y175-F180 HydrophobicContact CD2-CE2 3.56Å; Y175-F180 AromaticContact CD2-CZ 3.8Å; Y175-F180 HydrophobicContact CD2-CZ 3.8Å; Y175-F180 HydrophobicContact CE2-CD2 4.44Å; Y175-F180 AromaticContact CE2-CE2 3.35Å; Y175-F180 HydrophobicContact CE2-CE2 3.35Å; Y175-F180 AromaticContact CE2-CZ 3.88Å; Y175-F180 HydrophobicContact CE2-CZ 3.88Å; Y175-F180 HydrophobicContact CG-CZ 4.5Å; P177-F180 HydrophobicContact CB-CD2 4.19Å; P177-F180 PolarHBondContact O-N 3.47Å; F180-Y183 PolarHBondContact O-N 2.77Å; F180-Y190 HydrophobicContact CB-CE2 3.89Å; F180-H195 AromaticContact CD1-CE1 3.64Å; F180-H195 AromaticContact CD1-NE2 3.79Å; F180-H195 AromaticContact CD2-CE1 3.84Å; F180-H195 AromaticContact CG-CE1 3.5Å; F180-H195 AromaticContact CG-NE2 3.92Å
181	P	94.4	Very high	94.5	Very high	15 Å²	15	61.3 Å²	61.3	10%	0.097	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	139.3	161.3	-17.4	27.8	0	0	0	110	Y95 H195 R198	Y95-P181 HydrophobicContact CD2-CG 4.33Å; Y95-P181 HydrophobicContact CE1-CG 4.16Å; Y95-P181 HydrophobicContact CE2-CG 3.69Å; Y95-P181 WeakPolarHBondContact OH-CD 3.48Å; P181-H195 WeakPolarHBondContact O-CB 3.35Å; P181-R198 HydrophobicContact CB-CB 3.94Å; P181-R198 HydrophobicContact CB-CG 4.04Å; P181-R198 HydrophobicContact CG-CB 3.99Å; P181-R198 HydrophobicContact CG-CG 3.74Å
182	G	93.2	Very high	94.4	Very high	24 Å²	24	62.2 Å²	62.2	25%	0.247	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.5	-5.8	-178.4	0	0	0	0	0	115.3	N191	G182-N191 PolarHBondContact O-N 3.37Å
183	Y	95.5	Very high	94.4	Very high	55 Å²	55	67.9 Å²	67.9	22%	0.216	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-86.5	122	172.2	-169.7	-95.9	0	0	0	111.9	S178 F180 Q185 K188 Y190	S178-Y183 VanDerWaalsContact CA-CG 3.49Å; S178-Y183 WeakPolarHBondContact O-CD1 3.14Å; F180-Y183 PolarHBondContact O-N 2.77Å; Y183-Q185 HydrophobicContact CD1-CG 4.38Å; Y183-Q185 HydrophobicContact CE1-CG 4.44Å; Y183-K188 WeakPolarHBondContact CE2-O 3.29Å; Y183-K188 WeakPolarHBondContact OH-CA 3.4Å; Y183-K188 PolarHBondContact OH-O 3.37Å; Y183-Y190 HydrophobicContact CD2-CD2 4.28Å
184	N	93.4	Very high	94.2	Very high	75 Å²	75	71.2 Å²	71.2	40%	0.401	37%	0.366	S	S	.	.			trans	-93	122.3	172.3	-173.1	-15.5	0	0	0	110	E186 S187 K188 E189	N184-E186 VanDerWaalsContact C-N 3.31Å; N184-E186 PolarHBondContact O-N 3.46Å; N184-E186 PolarHBondContact OD1-N 3.15Å; N184-S187 WeakPolarHBondContact CB-OG 3.37Å; N184-K188 WeakPolarHBondContact O-CA 3.48Å; N184-K188 PolarHBondContact O-N 3.22Å; N184-E189 PolarHBondContact N-O 2.88Å
185	Q	89.7	Confident	94.2	Very high	124 Å²	124	68 Å²	68	58%	0.579	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-27	-179.6	-69.5	-176.2	8.2	0	0	113.2	S155 Y183	S155-Q185 PolarHBondContact OG-NE2 3.37Å; Y183-Q185 HydrophobicContact CD1-CG 4.38Å; Y183-Q185 HydrophobicContact CE1-CG 4.44Å
186	E	91.1	Very high	94.2	Very high	179 Å²	179	70.2 Å²	70.2	84%	0.836	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-52.8	-177.7	-63.9	178.9	178.7	0	0	111	N184 K188	N184-E186 VanDerWaalsContact C-N 3.31Å; N184-E186 PolarHBondContact O-N 3.46Å; N184-E186 PolarHBondContact OD1-N 3.15Å; E186-K188 VanDerWaalsContact C-N 3.32Å
187	S	92.7	Very high	94.3	Very high	51 Å²	51	68.2 Å²	68.2	36%	0.357	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-14.3	177.4	69.2	0	0	0	0	113.6	N184 E189	N184-S187 WeakPolarHBondContact CB-OG 3.37Å; S187-E189 PolarHBondContact O-N 2.92Å; S187-E189 WeakPolarHBondContact OG-CB 3.38Å; S187-E189 PolarHBondContact OG-N 3.45Å; S187-E189 PolarHBondContact OG-OE2 3.12Å; S187-E189 VanDerWaalsContact OG-OE2 3.13Å
188	K	92.4	Very high	94.4	Very high	158 Å²	158	72 Å²	72	69%	0.687	35%	0.353	S	S	*	.			trans	58.7	17.4	-172.4	-59.3	177.3	-177.9	170.9	0	114	Y183 N184 E186	Y183-K188 WeakPolarHBondContact CE2-O 3.29Å; Y183-K188 WeakPolarHBondContact OH-CA 3.4Å; Y183-K188 PolarHBondContact OH-O 3.37Å; N184-K188 WeakPolarHBondContact O-CA 3.48Å; N184-K188 PolarHBondContact O-N 3.22Å; E186-K188 VanDerWaalsContact C-N 3.32Å
189	E	93.8	Very high	94.6	Very high	135 Å²	135	70.3 Å²	70.3	63%	0.631	34%	0.342	S	S	*	.			trans	-92.3	149	179.5	-66.9	166.9	160.9	0	0	111.3	N184 S187	N184-E189 PolarHBondContact N-O 2.88Å; S187-E189 PolarHBondContact O-N 2.92Å; S187-E189 WeakPolarHBondContact OG-CB 3.38Å; S187-E189 PolarHBondContact OG-N 3.45Å; S187-E189 PolarHBondContact OG-OE2 3.12Å; S187-E189 VanDerWaalsContact OG-OE2 3.13Å
190	Y	93.7	Very high	94.7	Very high	52 Å²	52	66 Å²	66	20%	0.204	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-117.2	112.7	-179	-179.9	-126.7	0	0	0	111	G127 P177 F180 Y183 A192 H195	G127-Y190 WeakPolarHBondContact O-CE1 3.35Å; G127-Y190 PolarHBondContact O-OH 2.97Å; P177-Y190 HydrophobicContact CB-CD1 3.92Å; P177-Y190 HydrophobicContact CB-CD2 4.11Å; P177-Y190 HydrophobicContact CB-CE1 4.12Å; P177-Y190 HydrophobicContact CB-CE2 4.34Å; P177-Y190 HydrophobicContact CB-CG 3.89Å; F180-Y190 HydrophobicContact CB-CE2 3.89Å; Y183-Y190 HydrophobicContact CD2-CD2 4.28Å; Y190-A192 HydrophobicContact CE1-CB 4.37Å; Y190-H195 HydrophobicContact CE2-CB 4.31Å; Y190-H195 AromaticContact CZ-ND1 3.92Å; Y190-H195 WeakPolarHBondContact OH-CB 3.38Å; Y190-H195 VanDerWaalsContact OH-CG 3.24Å; Y190-H195 PolarHBondContact OH-ND1 3.29Å
191	N	95.1	Very high	94.7	Very high	73 Å²	73	65.9 Å²	65.9	39%	0.39	33%	0.325	S	S	.	.			trans	-91.2	103.7	174	-172	-34.5	0	0	0	110.6	G182 E193 V194 H195	G182-N191 PolarHBondContact O-N 3.37Å; N191-E193 VanDerWaalsContact C-N 3.33Å; N191-E193 PolarHBondContact O-N 3.27Å; N191-E193 WeakPolarHBondContact OD1-CB 3.41Å; N191-E193 PolarHBondContact OD1-N 3.43Å; N191-V194 HydrophobicContact CB-CB 4.38Å; N191-V194 HydrophobicContact CB-CG2 4.11Å; N191-V194 PolarHBondContact O-N 2.87Å; N191-V194 PolarHBondContact OD1-N 3.46Å; N191-V194 VanDerWaalsContact OD1-N 3.17Å; N191-H195 PolarHBondContact O-N 3.14Å
192	A	95.3	Very high	94.8	Very high	19 Å²	19	67.7 Å²	67.7	16%	0.157	33%	0.332	C	S	.	.	H	α-helix	trans	-65.1	-32.3	178.9	0	0	0	0	0	113.1	Q128 Y190 V194 H195 R196	Q128-A192 HydrophobicContact CG-CB 3.92Å; Y190-A192 HydrophobicContact CE1-CB 4.37Å; A192-V194 PolarHBondContact O-N 3.07Å; A192-H195 WeakPolarHBondContact O-CB 3.22Å; A192-H195 PolarHBondContact O-N 3.21Å; A192-H195 VanDerWaalsContact O-N 3.14Å; A192-R196 PolarHBondContact O-N 3.18Å
193	E	95.5	Very high	94.9	Very high	153 Å²	153	68.2 Å²	68.2	72%	0.715	33%	0.328	S	S	*	.	H	α-helix	trans	-65.5	-42	180	-58.1	-175.9	160.2	0	0	111.4	N191 H195 R196 A197	N191-E193 VanDerWaalsContact C-N 3.33Å; N191-E193 PolarHBondContact O-N 3.27Å; N191-E193 WeakPolarHBondContact OD1-CB 3.41Å; N191-E193 PolarHBondContact OD1-N 3.43Å; E193-H195 VanDerWaalsContact C-N 3.28Å; E193-H195 PolarHBondContact O-N 2.79Å; E193-R196 WeakPolarHBondContact O-CB 3.29Å; E193-R196 PolarHBondContact O-N 3.03Å; E193-A197 WeakPolarHBondContact O-CB 3.29Å; E193-A197 PolarHBondContact O-N 3.2Å
194	V	95.3	Very high	94.9	Very high	72 Å²	72	66.4 Å²	66.4	44%	0.436	32%	0.323	S	S	.	.	H	α-helix	trans	-62.3	-39.1	173.7	176	0	0	0	0	110.6	N191 A192 R198	N191-V194 HydrophobicContact CB-CB 4.38Å; N191-V194 HydrophobicContact CB-CG2 4.11Å; N191-V194 PolarHBondContact O-N 2.87Å; N191-V194 PolarHBondContact OD1-N 3.46Å; N191-V194 VanDerWaalsContact OD1-N 3.17Å; A192-V194 PolarHBondContact O-N 3.07Å; V194-R198 PolarHBondContact O-N 2.92Å; V194-R198 VanDerWaalsContact O-N 3.09Å
195	H	96.7	Very high	95.1	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.8	-46.2	175.4	-170.6	-160.6	0	0	0	111.8	Y95 G127 F180 P181 Y190 N191 A192 E193 A197 R198 I199	Y95-H195 AromaticContact CE1-NE2 3.76Å; Y95-H195 AromaticContact CZ-NE2 3.61Å; Y95-H195 PolarHBondContact OH-NE2 3.19Å; G127-H195 PolarHBondContact O-ND1 3.47Å; F180-H195 AromaticContact CD1-CE1 3.64Å; F180-H195 AromaticContact CD1-NE2 3.79Å; F180-H195 AromaticContact CD2-CE1 3.84Å; F180-H195 AromaticContact CG-CE1 3.5Å; F180-H195 AromaticContact CG-NE2 3.92Å; P181-H195 WeakPolarHBondContact O-CB 3.35Å; Y190-H195 HydrophobicContact CE2-CB 4.31Å; Y190-H195 AromaticContact CZ-ND1 3.92Å; Y190-H195 WeakPolarHBondContact OH-CB 3.38Å; Y190-H195 VanDerWaalsContact OH-CG 3.24Å; Y190-H195 PolarHBondContact OH-ND1 3.29Å; N191-H195 PolarHBondContact O-N 3.14Å; A192-H195 WeakPolarHBondContact O-CB 3.22Å; A192-H195 PolarHBondContact O-N 3.21Å; A192-H195 VanDerWaalsContact O-N 3.14Å; E193-H195 VanDerWaalsContact C-N 3.28Å; E193-H195 PolarHBondContact O-N 2.79Å; H195-A197 VanDerWaalsContact C-N 3.34Å; H195-A197 PolarHBondContact O-N 2.76Å; H195-R198 WeakPolarHBondContact O-CB 3.28Å; H195-R198 PolarHBondContact O-N 2.96Å; H195-R198 VanDerWaalsContact O-N 3.11Å; H195-I199 WeakPolarHBondContact O-CG1 3.35Å; H195-I199 PolarHBondContact O-N 3.33Å
196	R	96.5	Very high	95.4	Very high	81 Å²	81	63 Å²	63	31%	0.306	31%	0.306	S	S	.	.	H	α-helix	trans	-56	-48.5	175.7	179.3	-176.3	177.5	-78.2	-7	111.2	V125 A192 E193 R198 I199 L200 E237	V125-R196 WeakPolarHBondContact O-CD 3.3Å; V125-R196 WeakPolarHBondContact O-CG 3.4Å; V125-R196 PolarHBondContact O-NE 2.77Å; A192-R196 PolarHBondContact O-N 3.18Å; E193-R196 WeakPolarHBondContact O-CB 3.29Å; E193-R196 PolarHBondContact O-N 3.03Å; R196-R198 VanDerWaalsContact C-N 3.25Å; R196-R198 PolarHBondContact O-N 3.05Å; R196-I199 WeakPolarHBondContact O-CB 3.5Å; R196-I199 PolarHBondContact O-N 2.84Å; R196-I199 VanDerWaalsContact O-N 3.09Å; R196-L200 HydrophobicContact CG-CD1 3.82Å; R196-L200 HydrophobicContact CG-CG 4.43Å; R196-L200 WeakPolarHBondContact O-CG 3.43Å; R196-L200 PolarHBondContact O-N 3.47Å; R196-E237 IonicContact CZ-OE1 2.79Å; R196-E237 IonicContact NH1-OE1 3.73Å; R196-E237 IonicContact NH2-OE1 3.53Å; R196-E237 PolarHBondContact NH2-OE1 3Å
197	A	96.7	Very high	95.7	Very high	27 Å²	27	59.2 Å²	59.2	22%	0.223	29%	0.285	C	S	.	.	H	α-helix	trans	-56.9	-40.6	177	0	0	0	0	0	111.5	E193 H195 L200 G201 H202	E193-A197 WeakPolarHBondContact O-CB 3.29Å; E193-A197 PolarHBondContact O-N 3.2Å; H195-A197 VanDerWaalsContact C-N 3.34Å; H195-A197 PolarHBondContact O-N 2.76Å; A197-L200 PolarHBondContact O-N 3.43Å; A197-G201 PolarHBondContact O-N 2.89Å; A197-G201 VanDerWaalsContact O-N 3.14Å; A197-H202 HydrophobicContact CB-CB 4.01Å; A197-H202 WeakPolarHBondContact O-CB 3.37Å; A197-H202 PolarHBondContact O-N 3.39Å
198	R	96.5	Very high	95.8	Very high	91 Å²	91	56.8 Å²	56.8	34%	0.343	27%	0.268	S	S	.	.	H	α-helix	trans	-66.6	-42.1	174.8	-160.4	79.6	-179	-179.9	-0.5	112.6	Y95 S96 P181 V194 H195 R196 L200 G201 H203	Y95-R198 HydrophobicContact CD1-CB 4.22Å; Y95-R198 HydrophobicContact CD1-CG 3.67Å; Y95-R198 HydrophobicContact CD2-CG 4.31Å; Y95-R198 HydrophobicContact CE1-CB 4.4Å; Y95-R198 HydrophobicContact CE1-CG 4.15Å; Y95-R198 HydrophobicContact CG-CG 3.77Å; S96-R198 PolarHBondContact OG-O 3.05Å; P181-R198 HydrophobicContact CB-CB 3.94Å; P181-R198 HydrophobicContact CB-CG 4.04Å; P181-R198 HydrophobicContact CG-CB 3.99Å; P181-R198 HydrophobicContact CG-CG 3.74Å; V194-R198 PolarHBondContact O-N 2.92Å; V194-R198 VanDerWaalsContact O-N 3.09Å; H195-R198 WeakPolarHBondContact O-CB 3.28Å; H195-R198 PolarHBondContact O-N 2.96Å; H195-R198 VanDerWaalsContact O-N 3.11Å; R196-R198 VanDerWaalsContact C-N 3.25Å; R196-R198 PolarHBondContact O-N 3.05Å; R198-L200 VanDerWaalsContact C-N 3.33Å; R198-G201 PolarHBondContact O-N 2.9Å; R198-H203 WeakPolarHBondContact CD-ND1 3.41Å; R198-H203 VanDerWaalsContact CZ-CG 3.44Å; R198-H203 PolarHBondContact NE-NE2 2.76Å; R198-H203 PolarHBondContact NH1-CD2 2.72Å; R198-H203 PolarHBondContact NH2-CD2 2.95Å; R198-H203 PolarHBondContact O-CE1 2.97Å
199	I	97.2	Very high	96	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-45.2	176.4	-67.4	164.4	0	0	0	110.2	Y95 S96 Y99 V125 K164 H195 R196 G201	Y95-I199 HydrophobicContact CE1-CG1 3.91Å; S96-I199 WeakPolarHBondContact CA-O 3.34Å; S96-I199 WeakPolarHBondContact CB-O 3.11Å; S96-I199 PolarHBondContact OG-O 3.12Å; Y99-I199 HydrophobicContact CD1-CG2 3.71Å; Y99-I199 HydrophobicContact CD2-CB 4.49Å; Y99-I199 HydrophobicContact CD2-CD1 4.02Å; Y99-I199 HydrophobicContact CD2-CG1 3.92Å; Y99-I199 HydrophobicContact CD2-CG2 3.75Å; Y99-I199 HydrophobicContact CE1-CG2 3.95Å; Y99-I199 HydrophobicContact CE2-CD1 3.9Å; Y99-I199 HydrophobicContact CE2-CG1 4.28Å; Y99-I199 HydrophobicContact CE2-CG2 3.94Å; Y99-I199 HydrophobicContact CG-CG1 4.45Å; Y99-I199 HydrophobicContact CG-CG2 3.63Å; V125-I199 HydrophobicContact CG1-CB 4.37Å; V125-I199 HydrophobicContact CG1-CD1 4.2Å; V125-I199 HydrophobicContact CG1-CG2 3.65Å; K164-I199 HydrophobicContact CG-CD1 4.21Å; H195-I199 WeakPolarHBondContact O-CG1 3.35Å; H195-I199 PolarHBondContact O-N 3.33Å; R196-I199 WeakPolarHBondContact O-CB 3.5Å; R196-I199 PolarHBondContact O-N 2.84Å; R196-I199 VanDerWaalsContact O-N 3.09Å; I199-G201 PolarHBondContact O-N 3.05Å
200	L	96.9	Very high	96	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	5.9	-177.4	-60.9	176.2	0	0	0	114	R196 A197 R198 H202 E237 Y240 L241	R196-L200 HydrophobicContact CG-CD1 3.82Å; R196-L200 HydrophobicContact CG-CG 4.43Å; R196-L200 WeakPolarHBondContact O-CG 3.43Å; R196-L200 PolarHBondContact O-N 3.47Å; A197-L200 PolarHBondContact O-N 3.43Å; R198-L200 VanDerWaalsContact C-N 3.33Å; L200-H202 PolarHBondContact O-N 2.74Å; L200-E237 HydrophobicContact CB-CG 4.24Å; L200-E237 HydrophobicContact CD1-CG 4.07Å; L200-E237 WeakPolarHBondContact CD1-OE1 3.37Å; L200-Y240 WeakPolarHBondContact O-CD2 3.41Å; L200-L241 HydrophobicContact CD2-CD2 3.71Å; L200-L241 HydrophobicContact CD2-CG 3.99Å
201	G	96.4	Very high	96.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	17.7	170.3	0	0	0	0	0	114.6	S96 A197 R198 I199 H203 V204 A205	S96-G201 VanDerWaalsContact OG-CA 3.29Å; S96-G201 WeakPolarHBondContact OG-CA 3.07Å; S96-G201 PolarHBondContact OG-N 3.04Å; A197-G201 PolarHBondContact O-N 2.89Å; A197-G201 VanDerWaalsContact O-N 3.14Å; R198-G201 PolarHBondContact O-N 2.9Å; I199-G201 PolarHBondContact O-N 3.05Å; G201-H203 VanDerWaalsContact C-N 3.3Å; G201-H203 PolarHBondContact O-N 3.07Å; G201-V204 WeakPolarHBondContact O-CB 3.36Å; G201-V204 PolarHBondContact O-N 3.45Å; G201-A205 PolarHBondContact O-N 3.03Å; G201-A205 VanDerWaalsContact O-N 3.11Å
202	H	96.5	Very high	96	Very high	52 Å²	52	51 Å²	51	24%	0.241	24%	0.241	C	C	.	.	H	α-helix	trans	-55.5	-43.8	179.6	-72.2	-169.6	0	0	0	112.1	A197 L200 V204 A205 E206 E237	A197-H202 HydrophobicContact CB-CB 4.01Å; A197-H202 WeakPolarHBondContact O-CB 3.37Å; A197-H202 PolarHBondContact O-N 3.39Å; L200-H202 PolarHBondContact O-N 2.74Å; H202-V204 PolarHBondContact O-N 2.91Å; H202-V204 VanDerWaalsContact O-N 3.12Å; H202-A205 CarbonylContact O-C 3.54Å; H202-A205 WeakPolarHBondContact O-CA 3.43Å; H202-A205 WeakPolarHBondContact O-CB 3.46Å; H202-A205 PolarHBondContact O-N 2.73Å; H202-E206 WeakPolarHBondContact O-CG 3.46Å; H202-E206 PolarHBondContact O-N 3.02Å; H202-E237 IonicContact CD2-OE2 3.88Å; H202-E237 IonicContact CE1-OE2 2.79Å; H202-E237 IonicContact NE2-OE2 3.79Å; H202-E237 PolarHBondContact NE2-OE2 2.83Å
203	H	95.6	Very high	95.9	Very high	36 Å²	36	58 Å²	58	17%	0.167	27%	0.271	C	S	.	.	H	α-helix	trans	-55.2	-30.8	174	66.7	-73.1	0	0	0	115	R198 G201 Y207	R198-H203 WeakPolarHBondContact CD-ND1 3.41Å; R198-H203 VanDerWaalsContact CZ-CG 3.44Å; R198-H203 PolarHBondContact NE-NE2 2.76Å; R198-H203 PolarHBondContact NH1-CD2 2.72Å; R198-H203 PolarHBondContact NH2-CD2 2.95Å; R198-H203 PolarHBondContact O-CE1 2.97Å; G201-H203 VanDerWaalsContact C-N 3.3Å; G201-H203 PolarHBondContact O-N 3.07Å; H203-Y207 WeakPolarHBondContact O-CB 3.37Å; H203-Y207 PolarHBondContact O-N 3.38Å
204	V	96.2	Very high	95.9	Very high	17 Å²	17	58 Å²	58	10%	0.103	27%	0.271	C	S	.	.	H	α-helix	trans	-77.7	-40.5	175.1	-175.8	0	0	0	0	109.5	G201 H202 Y207 M208 F223 I236	G201-V204 WeakPolarHBondContact O-CB 3.36Å; G201-V204 PolarHBondContact O-N 3.45Å; H202-V204 PolarHBondContact O-N 2.91Å; H202-V204 VanDerWaalsContact O-N 3.12Å; V204-Y207 PolarHBondContact O-N 3.16Å; V204-M208 VanDerWaalsContact O-CG 3.29Å; V204-M208 WeakPolarHBondContact O-CG 3.35Å; V204-M208 PolarHBondContact O-N 3Å; V204-F223 HydrophobicContact CG1-CE1 3.97Å; V204-I236 HydrophobicContact CB-CD1 4.44Å; V204-I236 HydrophobicContact CG1-CD1 4.24Å
205	A	96.6	Very high	95.8	Very high	11 Å²	11	55.9 Å²	55.9	9%	0.091	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-43.7	175.7	0	0	0	0	0	112.1	G201 H202 M208 K209 A233 I236	G201-A205 PolarHBondContact O-N 3.03Å; G201-A205 VanDerWaalsContact O-N 3.11Å; H202-A205 CarbonylContact O-C 3.54Å; H202-A205 WeakPolarHBondContact O-CA 3.43Å; H202-A205 WeakPolarHBondContact O-CB 3.46Å; H202-A205 PolarHBondContact O-N 2.73Å; A205-M208 WeakPolarHBondContact O-CB 3.25Å; A205-M208 PolarHBondContact O-N 3.13Å; A205-K209 WeakPolarHBondContact O-CG 3.24Å; A205-K209 PolarHBondContact O-N 2.86Å; A205-A233 HydrophobicContact CB-CB 4.07Å; A205-A233 WeakPolarHBondContact CB-O 3.2Å; A205-I236 HydrophobicContact CB-CB 4.49Å; A205-I236 HydrophobicContact CB-CD1 3.97Å
206	E	96.4	Very high	95.6	Very high	115 Å²	115	62.2 Å²	62.2	54%	0.537	29%	0.289	S	S	.	.	H	α-helix	trans	-60.6	-47.3	174.1	-71.9	171.1	170.8	0	0	110.9	H202 M208 K209 Q210	H202-E206 WeakPolarHBondContact O-CG 3.46Å; H202-E206 PolarHBondContact O-N 3.02Å; E206-M208 VanDerWaalsContact C-N 3.28Å; E206-M208 PolarHBondContact O-N 3.13Å; E206-K209 PolarHBondContact O-N 3.47Å; E206-K209 VanDerWaalsContact O-N 3.12Å; E206-Q210 WeakPolarHBondContact O-CG 3.48Å; E206-Q210 PolarHBondContact O-N 3.33Å
207	Y	96.6	Very high	95.6	Very high	101 Å²	101	63.2 Å²	63.2	40%	0.396	31%	0.305	S	S	.	.	H	α-helix	trans	-65	-33	177.3	-174.1	-133.8	0	0	0	112.6	H203 V204 L211 Q222 F223	H203-Y207 WeakPolarHBondContact O-CB 3.37Å; H203-Y207 PolarHBondContact O-N 3.38Å; V204-Y207 PolarHBondContact O-N 3.16Å; Y207-L211 HydrophobicContact CD1-CD1 4.21Å; Y207-L211 HydrophobicContact CD2-CD1 4.15Å; Y207-L211 HydrophobicContact CD2-CG 4.11Å; Y207-L211 HydrophobicContact CE1-CD1 3.62Å; Y207-L211 HydrophobicContact CE2-CD1 3.58Å; Y207-L211 HydrophobicContact CE2-CD2 4.19Å; Y207-L211 HydrophobicContact CE2-CG 3.67Å; Y207-L211 HydrophobicContact CG-CD1 4.43Å; Y207-L211 WeakPolarHBondContact O-CB 3.42Å; Y207-L211 PolarHBondContact O-N 2.97Å; Y207-L211 WeakPolarHBondContact OH-CD1 3.24Å; Y207-Q222 HydrophobicContact CE1-CG 4.04Å; Y207-F223 HydrophobicContact CD1-CE2 4.06Å; Y207-F223 AromaticContact CD1-CZ 3.53Å; Y207-F223 HydrophobicContact CD1-CZ 3.53Å; Y207-F223 HydrophobicContact CE1-CE2 4.31Å; Y207-F223 HydrophobicContact CE1-CZ 4.06Å; Y207-F223 HydrophobicContact CG-CZ 4.27Å
208	M	96	Very high	95.5	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-45.5	170.9	-76.1	-179.3	73.4	0	0	111.6	V204 A205 E206 Q212 Y219 F223 Y226 A233 I236	V204-M208 VanDerWaalsContact O-CG 3.29Å; V204-M208 WeakPolarHBondContact O-CG 3.35Å; V204-M208 PolarHBondContact O-N 3Å; A205-M208 WeakPolarHBondContact O-CB 3.25Å; A205-M208 PolarHBondContact O-N 3.13Å; E206-M208 VanDerWaalsContact C-N 3.28Å; E206-M208 PolarHBondContact O-N 3.13Å; M208-Q212 WeakPolarHBondContact O-CB 3.42Å; M208-Q212 WeakPolarHBondContact O-CG 3.49Å; M208-Q212 PolarHBondContact O-N 3.15Å; M208-Y219 HydrophobicContact CB-CE2 4.2Å; M208-Y219 HydrophobicContact CE-CE2 3.98Å; M208-Y219 WeakPolarHBondContact CE-OH 3.16Å; M208-Y219 HydrophobicContact CG-CE2 4.31Å; M208-F223 HydrophobicContact CB-CE2 4.19Å; M208-F223 HydrophobicContact CB-CZ 4.24Å; M208-F223 HydrophobicContact CE-CG 4.5Å; M208-F223 HydrophobicContact CG-CD1 3.69Å; M208-F223 HydrophobicContact CG-CD2 3.83Å; M208-F223 HydrophobicContact CG-CE1 3.39Å; M208-F223 HydrophobicContact CG-CE2 3.5Å; M208-F223 HydrophobicContact CG-CG 3.89Å; M208-F223 HydrophobicContact CG-CZ 3.27Å; M208-F223 HydrophobicContact SD-CD1 4.1Å; M208-F223 HydrophobicContact SD-CE1 4.13Å; M208-Y226 HydrophobicContact CE-CD1 4.29Å; M208-Y226 HydrophobicContact CE-CG 4.35Å; M208-Y226 HydrophobicContact SD-CD1 4.05Å; M208-Y226 HydrophobicContact SD-CE1 4.38Å; M208-Y226 HydrophobicContact SD-CG 4.42Å; M208-A233 HydrophobicContact CB-CB 4.19Å; M208-I236 HydrophobicContact SD-CD1 3.59Å; M208-I236 VanDerWaalsContact SD-CD1 3.59Å
209	K	95.5	Very high	95.4	Very high	89 Å²	89	62.2 Å²	62.2	39%	0.387	30%	0.301	S	S	.	.	H	α-helix	trans	-64.3	-47.3	178.8	-70.1	178	-178.6	-171.1	0	111.4	A205 E206 L211 Q212 E213 A233 D234	A205-K209 WeakPolarHBondContact O-CG 3.24Å; A205-K209 PolarHBondContact O-N 2.86Å; E206-K209 PolarHBondContact O-N 3.47Å; E206-K209 VanDerWaalsContact O-N 3.12Å; K209-L211 PolarHBondContact O-N 3.3Å; K209-Q212 WeakPolarHBondContact O-CB 3.32Å; K209-Q212 PolarHBondContact O-N 3.26Å; K209-E213 PolarHBondContact O-N 3.05Å; K209-E213 VanDerWaalsContact O-N 3.14Å; K209-A233 HydrophobicContact CD-CB 4.35Å; K209-A233 HydrophobicContact CG-CB 3.87Å; K209-D234 WeakPolarHBondContact CE-OD1 3.42Å; K209-D234 IonicContact NZ-OD1 2.75Å; K209-D234 PolarHBondContact NZ-OD1 3.07Å
210	Q	95.3	Very high	95.3	Very high	104 Å²	104	67 Å²	67	49%	0.486	32%	0.323	S	S	.	.	H	α-helix	trans	-56.3	-49.7	176.2	-72.7	173.6	-10	0	0	112	E206 Q212 E213 E214	E206-Q210 WeakPolarHBondContact O-CG 3.48Å; E206-Q210 PolarHBondContact O-N 3.33Å; Q210-Q212 VanDerWaalsContact C-N 3.33Å; Q210-Q212 PolarHBondContact O-N 2.61Å; Q210-E213 PolarHBondContact O-N 3.19Å; Q210-E214 WeakPolarHBondContact O-CG 3.21Å; Q210-E214 PolarHBondContact O-N 3.41Å
211	L	95	Very high	95.3	Very high	11 Å²	11	76.4 Å²	76.4	6%	0.058	36%	0.358	C	S	.	.	H	α-helix	trans	-68.4	-30.4	179.7	-78.5	177.8	0	0	0	113.6	Y207 K209 E213 S215 D218 Y219 Q222 F223	Y207-L211 HydrophobicContact CD1-CD1 4.21Å; Y207-L211 HydrophobicContact CD2-CD1 4.15Å; Y207-L211 HydrophobicContact CD2-CG 4.11Å; Y207-L211 HydrophobicContact CE1-CD1 3.62Å; Y207-L211 HydrophobicContact CE2-CD1 3.58Å; Y207-L211 HydrophobicContact CE2-CD2 4.19Å; Y207-L211 HydrophobicContact CE2-CG 3.67Å; Y207-L211 HydrophobicContact CG-CD1 4.43Å; Y207-L211 WeakPolarHBondContact O-CB 3.42Å; Y207-L211 PolarHBondContact O-N 2.97Å; Y207-L211 WeakPolarHBondContact OH-CD1 3.24Å; K209-L211 PolarHBondContact O-N 3.3Å; L211-E213 VanDerWaalsContact C-N 3.28Å; L211-S215 CarbonylContact O-C 3.57Å; L211-S215 VanDerWaalsContact O-C 3.31Å; L211-S215 PolarHBondContact O-N 3.05Å; L211-D218 HydrophobicContact CD2-CB 4.15Å; L211-Y219 HydrophobicContact CB-CD2 4.25Å; L211-Q222 HydrophobicContact CD1-CB 4.22Å; L211-Q222 HydrophobicContact CD1-CG 4.21Å; L211-F223 HydrophobicContact CD1-CD2 4.23Å; L211-F223 HydrophobicContact CD1-CE2 3.61Å
212	Q	92.2	Very high	95.2	Very high	91 Å²	91	81.8 Å²	81.8	43%	0.425	38%	0.384	S	S	.	.	H	α-helix	trans	-64.1	-35.8	173.3	-77.8	173.4	-3.9	0	0	111.9	M208 K209 Q210 Y219	M208-Q212 WeakPolarHBondContact O-CB 3.42Å; M208-Q212 WeakPolarHBondContact O-CG 3.49Å; M208-Q212 PolarHBondContact O-N 3.15Å; K209-Q212 WeakPolarHBondContact O-CB 3.32Å; K209-Q212 PolarHBondContact O-N 3.26Å; Q210-Q212 VanDerWaalsContact C-N 3.33Å; Q210-Q212 PolarHBondContact O-N 2.61Å; Q212-Y219 HydrophobicContact CG-CD1 4.04Å; Q212-Y219 HydrophobicContact CG-CD2 3.5Å; Q212-Y219 VanDerWaalsContact CG-CD2 3.5Å; Q212-Y219 HydrophobicContact CG-CE1 4.01Å; Q212-Y219 HydrophobicContact CG-CE2 3.47Å; Q212-Y219 VanDerWaalsContact CG-CE2 3.47Å; Q212-Y219 HydrophobicContact CG-CG 3.8Å; Q212-Y219 PolarHBondContact NE2-OH 3.14Å
213	E	93.8	Very high	95.2	Very high	168 Å²	168	79.7 Å²	79.7	79%	0.785	37%	0.374	S	S	*	.	H	α-helix	trans	-78.6	-39.2	178.9	-68.9	172.3	-166.9	0	0	112.4	K209 Q210 L211	K209-E213 PolarHBondContact O-N 3.05Å; K209-E213 VanDerWaalsContact O-N 3.14Å; Q210-E213 PolarHBondContact O-N 3.19Å; L211-E213 VanDerWaalsContact C-N 3.28Å
214	E	95.1	Very high	95.2	Very high	151 Å²	151	81.5 Å²	81.5	71%	0.706	39%	0.39	S	S	*	.	H	α-helix	trans	-81.2	-48.3	-175.1	-70.4	178.3	-178.2	0	0	114.1	Q210	Q210-E214 WeakPolarHBondContact O-CG 3.21Å; Q210-E214 PolarHBondContact O-N 3.41Å
215	S	93.7	Very high	95.2	Very high	29 Å²	29	82 Å²	82	20%	0.203	40%	0.399	C	S	.	.			trans	-158	104.9	-170	174.9	0	0	0	0	111.5	L211 T217 D218 Y219	L211-S215 CarbonylContact O-C 3.57Å; L211-S215 VanDerWaalsContact O-C 3.31Å; L211-S215 PolarHBondContact O-N 3.05Å; S215-T217 PolarHBondContact O-N 3.02Å; S215-T217 PolarHBondContact OG-OG1 2.94Å; S215-T217 VanDerWaalsContact OG-OG1 3.12Å; S215-D218 VanDerWaalsContact CB-OD2 3.31Å; S215-D218 WeakPolarHBondContact CB-OD2 3.47Å; S215-D218 PolarHBondContact O-N 3.05Å; S215-D218 PolarHBondContact OG-N 3Å; S215-D218 PolarHBondContact OG-OD2 2.82Å; S215-Y219 PolarHBondContact O-N 3.49Å
216	E	93.1	Very high	95.2	Very high	132 Å²	132	82.3 Å²	82.3	62%	0.617	40%	0.398	S	S	*	.	H	α-helix	trans	-58.8	-34.9	176.9	-168.7	-177.7	169.9	0	0	112.1	Y219 Q220	E216-Y219 PolarHBondContact O-N 2.88Å; E216-Q220 HydrophobicContact CG-CG 4.41Å; E216-Q220 WeakPolarHBondContact O-CB 3.46Å; E216-Q220 VanDerWaalsContact O-CG 3.32Å; E216-Q220 WeakPolarHBondContact O-CG 2.98Å; E216-Q220 PolarHBondContact O-N 2.81Å; E216-Q220 PolarHBondContact OE1-NE2 2.96Å
217	T	95.3	Very high	95.1	Very high	103 Å²	103	80.7 Å²	80.7	63%	0.632	39%	0.392	S	S	*	.	H	α-helix	trans	-66.3	-42.3	-179.6	63.6	0	0	0	0	112.3	S215 Q220 R221	S215-T217 PolarHBondContact O-N 3.02Å; S215-T217 PolarHBondContact OG-OG1 2.94Å; S215-T217 VanDerWaalsContact OG-OG1 3.12Å; T217-Q220 PolarHBondContact O-N 2.84Å; T217-R221 WeakPolarHBondContact O-CB 3.37Å; T217-R221 PolarHBondContact O-N 2.86Å
218	D	95.2	Very high	95.1	Very high	70 Å²	70	84.2 Å²	84.2	37%	0.374	41%	0.409	S	S	.	.	H	α-helix	trans	-70.7	-37.1	176.2	-68.7	-51.7	0	0	0	111.4	L211 S215 R221 Q222	L211-D218 HydrophobicContact CD2-CB 4.15Å; S215-D218 VanDerWaalsContact CB-OD2 3.31Å; S215-D218 WeakPolarHBondContact CB-OD2 3.47Å; S215-D218 PolarHBondContact O-N 3.05Å; S215-D218 PolarHBondContact OG-N 3Å; S215-D218 PolarHBondContact OG-OD2 2.82Å; D218-R221 PolarHBondContact O-N 2.94Å; D218-Q222 VanDerWaalsContact O-CB 3.26Å; D218-Q222 WeakPolarHBondContact O-CB 3.42Å; D218-Q222 PolarHBondContact O-N 3.25Å
219	Y	95.6	Very high	95	Very high	27 Å²	27	88.2 Å²	88.2	11%	0.106	43%	0.428	C	S	.	.	H	α-helix	trans	-58.9	-50.3	172.9	176.7	-103.1	0	0	0	111.7	M208 L211 Q212 S215 E216 R221 Q222 F223 I227	M208-Y219 HydrophobicContact CB-CE2 4.2Å; M208-Y219 HydrophobicContact CE-CE2 3.98Å; M208-Y219 WeakPolarHBondContact CE-OH 3.16Å; M208-Y219 HydrophobicContact CG-CE2 4.31Å; L211-Y219 HydrophobicContact CB-CD2 4.25Å; Q212-Y219 HydrophobicContact CG-CD1 4.04Å; Q212-Y219 HydrophobicContact CG-CD2 3.5Å; Q212-Y219 VanDerWaalsContact CG-CD2 3.5Å; Q212-Y219 HydrophobicContact CG-CE1 4.01Å; Q212-Y219 HydrophobicContact CG-CE2 3.47Å; Q212-Y219 VanDerWaalsContact CG-CE2 3.47Å; Q212-Y219 HydrophobicContact CG-CG 3.8Å; Q212-Y219 PolarHBondContact NE2-OH 3.14Å; S215-Y219 PolarHBondContact O-N 3.49Å; E216-Y219 PolarHBondContact O-N 2.88Å; Y219-R221 VanDerWaalsContact C-N 3.32Å; Y219-R221 PolarHBondContact O-N 3.12Å; Y219-Q222 PolarHBondContact O-N 3.3Å; Y219-F223 HydrophobicContact CD2-CB 4.39Å; Y219-F223 AromaticContact CD2-CD2 3.55Å; Y219-F223 HydrophobicContact CD2-CD2 3.55Å; Y219-F223 HydrophobicContact CD2-CE2 4.25Å; Y219-F223 HydrophobicContact CD2-CG 4.37Å; Y219-F223 HydrophobicContact CE2-CB 4.05Å; Y219-F223 AromaticContact CE2-CD2 3.69Å; Y219-F223 HydrophobicContact CE2-CD2 3.69Å; Y219-F223 HydrophobicContact CE2-CE2 4.44Å; Y219-F223 HydrophobicContact CE2-CG 4.15Å; Y219-F223 WeakPolarHBondContact O-CB 3.41Å; Y219-F223 PolarHBondContact O-N 3.04Å; Y219-I227 HydrophobicContact CD1-CD1 4.06Å; Y219-I227 HydrophobicContact CE1-CD1 3.66Å; Y219-I227 HydrophobicContact CE1-CG1 3.93Å
220	Q	95	Very high	94.9	Very high	99 Å²	99	86.2 Å²	86.2	46%	0.463	43%	0.432	S	S	.	.	H	α-helix	trans	-61.2	-40.5	178	-71.8	-179.6	13.8	0	0	111.7	E216 T217 S224 I227	E216-Q220 HydrophobicContact CG-CG 4.41Å; E216-Q220 WeakPolarHBondContact O-CB 3.46Å; E216-Q220 VanDerWaalsContact O-CG 3.32Å; E216-Q220 WeakPolarHBondContact O-CG 2.98Å; E216-Q220 PolarHBondContact O-N 2.81Å; E216-Q220 PolarHBondContact OE1-NE2 2.96Å; T217-Q220 PolarHBondContact O-N 2.84Å; Q220-S224 VanDerWaalsContact O-CA 3.28Å; Q220-S224 WeakPolarHBondContact O-CA 3.28Å; Q220-S224 WeakPolarHBondContact O-CB 3.31Å; Q220-S224 PolarHBondContact O-N 3.17Å; Q220-I227 HydrophobicContact CB-CD1 4.4Å; Q220-I227 HydrophobicContact CG-CD1 4.16Å
221	R	95.9	Very high	94.9	Very high	198 Å²	198	82.2 Å²	82.2	75%	0.747	41%	0.414	S	S	*	.	H	α-helix	trans	-64	-52.6	177.1	179.2	-177	170.4	-172.1	-1.9	112	T217 D218 Y219	T217-R221 WeakPolarHBondContact O-CB 3.37Å; T217-R221 PolarHBondContact O-N 2.86Å; D218-R221 PolarHBondContact O-N 2.94Å; Y219-R221 VanDerWaalsContact C-N 3.32Å; Y219-R221 PolarHBondContact O-N 3.12Å
222	Q	95.4	Very high	94.8	Very high	114 Å²	114	84.6 Å²	84.6	53%	0.533	43%	0.429	S	S	.	.	H	α-helix	trans	-72.2	-40.5	-172.8	-177.2	63.7	10.9	0	0	112.2	Y207 L211 D218 Y219	Y207-Q222 HydrophobicContact CE1-CG 4.04Å; L211-Q222 HydrophobicContact CD1-CB 4.22Å; L211-Q222 HydrophobicContact CD1-CG 4.21Å; D218-Q222 VanDerWaalsContact O-CB 3.26Å; D218-Q222 WeakPolarHBondContact O-CB 3.42Å; D218-Q222 PolarHBondContact O-N 3.25Å; Y219-Q222 PolarHBondContact O-N 3.3Å
223	F	96.1	Very high	95	Very high	8 Å²	8	80.5 Å²	80.5	4%	0.035	41%	0.411	C	S	.	.	H	α-helix	trans	-111.7	18.9	-172.5	-62.3	-71.1	0	0	0	113.8	V204 Y207 M208 L211 Y219 G225 Y226 I227	V204-F223 HydrophobicContact CG1-CE1 3.97Å; Y207-F223 HydrophobicContact CD1-CE2 4.06Å; Y207-F223 AromaticContact CD1-CZ 3.53Å; Y207-F223 HydrophobicContact CD1-CZ 3.53Å; Y207-F223 HydrophobicContact CE1-CE2 4.31Å; Y207-F223 HydrophobicContact CE1-CZ 4.06Å; Y207-F223 HydrophobicContact CG-CZ 4.27Å; M208-F223 HydrophobicContact CB-CE2 4.19Å; M208-F223 HydrophobicContact CB-CZ 4.24Å; M208-F223 HydrophobicContact CE-CG 4.5Å; M208-F223 HydrophobicContact CG-CD1 3.69Å; M208-F223 HydrophobicContact CG-CD2 3.83Å; M208-F223 HydrophobicContact CG-CE1 3.39Å; M208-F223 HydrophobicContact CG-CE2 3.5Å; M208-F223 HydrophobicContact CG-CG 3.89Å; M208-F223 HydrophobicContact CG-CZ 3.27Å; M208-F223 HydrophobicContact SD-CD1 4.1Å; M208-F223 HydrophobicContact SD-CE1 4.13Å; L211-F223 HydrophobicContact CD1-CD2 4.23Å; L211-F223 HydrophobicContact CD1-CE2 3.61Å; Y219-F223 HydrophobicContact CD2-CB 4.39Å; Y219-F223 AromaticContact CD2-CD2 3.55Å; Y219-F223 HydrophobicContact CD2-CD2 3.55Å; Y219-F223 HydrophobicContact CD2-CE2 4.25Å; Y219-F223 HydrophobicContact CD2-CG 4.37Å; Y219-F223 HydrophobicContact CE2-CB 4.05Å; Y219-F223 AromaticContact CE2-CD2 3.69Å; Y219-F223 HydrophobicContact CE2-CD2 3.69Å; Y219-F223 HydrophobicContact CE2-CE2 4.44Å; Y219-F223 HydrophobicContact CE2-CG 4.15Å; Y219-F223 WeakPolarHBondContact O-CB 3.41Å; Y219-F223 PolarHBondContact O-N 3.04Å; F223-G225 PolarHBondContact O-N 3.02Å; F223-Y226 HydrophobicContact CB-CD2 4.32Å; F223-Y226 AromaticContact CD1-CD2 3.7Å; F223-Y226 HydrophobicContact CD1-CD2 3.7Å; F223-Y226 AromaticContact CD1-CE2 3.97Å; F223-Y226 HydrophobicContact CD1-CE2 3.97Å; F223-Y226 HydrophobicContact CD1-CG 4.27Å; F223-Y226 HydrophobicContact CE1-CE2 4.49Å; F223-Y226 WeakPolarHBondContact O-CA 3.32Å; F223-Y226 WeakPolarHBondContact O-CB 3.5Å; F223-Y226 PolarHBondContact O-N 3.47Å; F223-I227 PolarHBondContact O-N 3.13Å
224	S	96	Very high	95	Very high	73 Å²	73	77.9 Å²	77.9	51%	0.51	40%	0.402	S	S	.	.	H	α-helix	trans	-44.5	-41.3	175	51.2	0	0	0	0	114	Q220 I227 K228	Q220-S224 VanDerWaalsContact O-CA 3.28Å; Q220-S224 WeakPolarHBondContact O-CA 3.28Å; Q220-S224 WeakPolarHBondContact O-CB 3.31Å; Q220-S224 PolarHBondContact O-N 3.17Å; S224-I227 PolarHBondContact O-N 3.07Å; S224-K228 WeakPolarHBondContact O-CB 3.26Å; S224-K228 PolarHBondContact O-N 3.49Å
225	G	95.4	Very high	95	Very high	27 Å²	27	76.1 Å²	76.1	28%	0.278	39%	0.392	S	S	.	.	H	α-helix	trans	-65	-39.3	175.8	0	0	0	0	0	113.7	F223 H229	F223-G225 PolarHBondContact O-N 3.02Å; G225-H229 PolarHBondContact O-CD2 2.79Å; G225-H229 VanDerWaalsContact O-CD2 3.25Å; G225-H229 PolarHBondContact O-N 2.53Å
226	Y	96.3	Very high	95.1	Very high	19 Å²	19	74.8 Å²	74.8	8%	0.075	38%	0.383	C	S	.	.	H	α-helix	trans	-67.7	-43.4	177	-73.5	-102.8	0	0	0	110.9	V90 M208 F223 K228 H229 G230 I231 I236	V90-Y226 HydrophobicContact CB-CD2 4.41Å; V90-Y226 HydrophobicContact CB-CE2 4.25Å; V90-Y226 HydrophobicContact CG2-CD1 3.68Å; V90-Y226 HydrophobicContact CG2-CD2 3.88Å; V90-Y226 HydrophobicContact CG2-CE1 3.6Å; V90-Y226 HydrophobicContact CG2-CE2 3.81Å; V90-Y226 HydrophobicContact CG2-CG 3.81Å; M208-Y226 HydrophobicContact CE-CD1 4.29Å; M208-Y226 HydrophobicContact CE-CG 4.35Å; M208-Y226 HydrophobicContact SD-CD1 4.05Å; M208-Y226 HydrophobicContact SD-CE1 4.38Å; M208-Y226 HydrophobicContact SD-CG 4.42Å; F223-Y226 HydrophobicContact CB-CD2 4.32Å; F223-Y226 AromaticContact CD1-CD2 3.7Å; F223-Y226 HydrophobicContact CD1-CD2 3.7Å; F223-Y226 AromaticContact CD1-CE2 3.97Å; F223-Y226 HydrophobicContact CD1-CE2 3.97Å; F223-Y226 HydrophobicContact CD1-CG 4.27Å; F223-Y226 HydrophobicContact CE1-CE2 4.49Å; F223-Y226 WeakPolarHBondContact O-CA 3.32Å; F223-Y226 WeakPolarHBondContact O-CB 3.5Å; F223-Y226 PolarHBondContact O-N 3.47Å; Y226-K228 PolarHBondContact O-N 3.15Å; Y226-H229 CarbonylContact O-C 3.58Å; Y226-H229 PolarHBondContact O-N 3.37Å; Y226-H229 VanDerWaalsContact O-N 3.17Å; Y226-G230 PolarHBondContact O-N 3.33Å; Y226-I231 HydrophobicContact CD1-CB 3.97Å; Y226-I231 HydrophobicContact CD1-CG2 3.75Å; Y226-I231 HydrophobicContact CE1-CG2 4.26Å; Y226-I231 PolarHBondContact O-N 2.74Å; Y226-I236 HydrophobicContact CE1-CD1 4.29Å
227	I	95.1	Very high	95.2	Very high	80 Å²	80	71 Å²	71	41%	0.41	37%	0.365	S	S	.	.	H	α-helix	trans	-59.1	-48.7	175.8	-61.7	169.5	0	0	0	110.1	Y219 Q220 F223 S224 H229 G230	Y219-I227 HydrophobicContact CD1-CD1 4.06Å; Y219-I227 HydrophobicContact CE1-CD1 3.66Å; Y219-I227 HydrophobicContact CE1-CG1 3.93Å; Q220-I227 HydrophobicContact CB-CD1 4.4Å; Q220-I227 HydrophobicContact CG-CD1 4.16Å; F223-I227 PolarHBondContact O-N 3.13Å; S224-I227 PolarHBondContact O-N 3.07Å; I227-H229 PolarHBondContact O-N 2.99Å; I227-H229 VanDerWaalsContact O-N 3.13Å; I227-G230 PolarHBondContact O-N 3.24Å
228	K	96.1	Very high	95.3	Very high	175 Å²	175	70.2 Å²	70.2	76%	0.761	36%	0.36	S	S	*	.	H	α-helix	trans	-56.5	-31	178.3	-176.1	177.8	-179.7	178.7	0	113.4	S224 Y226	S224-K228 WeakPolarHBondContact O-CB 3.26Å; S224-K228 PolarHBondContact O-N 3.49Å; Y226-K228 PolarHBondContact O-N 3.15Å
229	H	94.5	Very high	95.3	Very high	85 Å²	85	67.7 Å²	67.7	39%	0.394	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	3.2	-179.7	-72.9	-61.6	0	0	0	114.1	V90 G225 Y226 I227 I231	V90-H229 VanDerWaalsContact CG1-CD2 3.41Å; V90-H229 WeakPolarHBondContact CG1-CD2 3.25Å; G225-H229 PolarHBondContact O-CD2 2.79Å; G225-H229 VanDerWaalsContact O-CD2 3.25Å; G225-H229 PolarHBondContact O-N 2.53Å; Y226-H229 CarbonylContact O-C 3.58Å; Y226-H229 PolarHBondContact O-N 3.37Å; Y226-H229 VanDerWaalsContact O-N 3.17Å; I227-H229 PolarHBondContact O-N 2.99Å; I227-H229 VanDerWaalsContact O-N 3.13Å; H229-I231 VanDerWaalsContact C-N 3.31Å; H229-I231 HydrophobicContact CB-CD1 3.9Å; H229-I231 HydrophobicContact CB-CG1 4.16Å; H229-I231 PolarHBondContact O-N 3.12Å
230	G	93.4	Very high	95.4	Very high	47 Å²	47	66.4 Å²	66.4	49%	0.485	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	28.4	178.8	0	0	0	0	0	114.4	Y226 I227	Y226-G230 PolarHBondContact O-N 3.33Å; I227-G230 PolarHBondContact O-N 3.24Å
231	I	94.4	Very high	95.5	Very high	20 Å²	20	65.1 Å²	65.1	10%	0.103	34%	0.337	C	S	.	.			trans	-93.5	112.2	-179	-59.5	165	0	0	0	108.7	V90 Y226 H229 I236 M239	V90-I231 HydrophobicContact CG2-CD1 3.58Å; Y226-I231 HydrophobicContact CD1-CB 3.97Å; Y226-I231 HydrophobicContact CD1-CG2 3.75Å; Y226-I231 HydrophobicContact CE1-CG2 4.26Å; Y226-I231 PolarHBondContact O-N 2.74Å; H229-I231 VanDerWaalsContact C-N 3.31Å; H229-I231 HydrophobicContact CB-CD1 3.9Å; H229-I231 HydrophobicContact CB-CG1 4.16Å; H229-I231 PolarHBondContact O-N 3.12Å; I231-I236 HydrophobicContact CG2-CG1 4.25Å; I231-M239 HydrophobicContact CD1-SD 4.08Å
232	T	94.3	Very high	95.5	Very high	60 Å²	60	58.8 Å²	58.8	37%	0.368	32%	0.324	S	S	.	.			trans	-92.9	163.4	175.1	58.1	0	0	0	0	111	D234 K235	T232-D234 VanDerWaalsContact C-N 3.27Å; T232-D234 PolarHBondContact O-N 3.42Å; T232-K235 PolarHBondContact O-N 2.86Å; T232-K235 VanDerWaalsContact O-N 3.07Å; T232-K235 WeakPolarHBondContact OG1-CG 3.4Å
233	A	95.1	Very high	95.6	Very high	6 Å²	6	53.4 Å²	53.4	5%	0.05	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-42.1	-178.8	0	0	0	0	0	112.7	A205 M208 K209 K235 I236	A205-A233 HydrophobicContact CB-CB 4.07Å; A205-A233 WeakPolarHBondContact CB-O 3.2Å; M208-A233 HydrophobicContact CB-CB 4.19Å; K209-A233 HydrophobicContact CD-CB 4.35Å; K209-A233 HydrophobicContact CG-CB 3.87Å; A233-K235 VanDerWaalsContact C-N 3.26Å; A233-K235 PolarHBondContact O-N 3.22Å; A233-I236 WeakPolarHBondContact O-CB 3.28Å; A233-I236 PolarHBondContact O-N 2.9Å
234	D	94.8	Very high	95.6	Very high	112 Å²	112	53.2 Å²	53.2	60%	0.599	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-20.6	-177.9	-47.8	-51.4	0	0	0	113.3	K209 T232 I236	K209-D234 WeakPolarHBondContact CE-OD1 3.42Å; K209-D234 IonicContact NZ-OD1 2.75Å; K209-D234 PolarHBondContact NZ-OD1 3.07Å; T232-D234 VanDerWaalsContact C-N 3.27Å; T232-D234 PolarHBondContact O-N 3.42Å; D234-I236 VanDerWaalsContact C-N 3.35Å
235	K	94.9	Very high	95.7	Very high	114 Å²	114	52.6 Å²	52.6	50%	0.496	30%	0.297	S	S	.	.	H	α-helix	trans	-84.6	-7	177.9	-68	179.1	-175.7	176.3	0	113.3	T232 A233 T238 M239	T232-K235 PolarHBondContact O-N 2.86Å; T232-K235 VanDerWaalsContact O-N 3.07Å; T232-K235 WeakPolarHBondContact OG1-CG 3.4Å; A233-K235 VanDerWaalsContact C-N 3.26Å; A233-K235 PolarHBondContact O-N 3.22Å; K235-T238 PolarHBondContact O-OG1 2.98Å; K235-M239 VanDerWaalsContact O-CB 3.28Å; K235-M239 WeakPolarHBondContact O-CB 3.39Å; K235-M239 PolarHBondContact O-N 3.04Å
236	I	95.9	Very high	95.7	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-66.6	-46	-174.4	-69.5	-178.1	0	0	0	111.6	V204 A205 M208 Y226 I231 A233 D234 M239 Y240	V204-I236 HydrophobicContact CB-CD1 4.44Å; V204-I236 HydrophobicContact CG1-CD1 4.24Å; A205-I236 HydrophobicContact CB-CB 4.49Å; A205-I236 HydrophobicContact CB-CD1 3.97Å; M208-I236 HydrophobicContact SD-CD1 3.59Å; M208-I236 VanDerWaalsContact SD-CD1 3.59Å; Y226-I236 HydrophobicContact CE1-CD1 4.29Å; I231-I236 HydrophobicContact CG2-CG1 4.25Å; A233-I236 WeakPolarHBondContact O-CB 3.28Å; A233-I236 PolarHBondContact O-N 2.9Å; D234-I236 VanDerWaalsContact C-N 3.35Å; I236-M239 WeakPolarHBondContact O-CB 3.46Å; I236-M239 PolarHBondContact O-N 3.4Å; I236-Y240 HydrophobicContact CG2-CD2 3.77Å; I236-Y240 HydrophobicContact CG2-CE2 3.56Å; I236-Y240 VanDerWaalsContact O-CD2 3.25Å; I236-Y240 WeakPolarHBondContact O-CD2 3.42Å; I236-Y240 PolarHBondContact O-N 3.34Å; I236-Y240 VanDerWaalsContact O-N 3.11Å
237	E	95.5	Very high	95.8	Very high	53 Å²	53	52.2 Å²	52.2	25%	0.248	30%	0.295	C	S	.	.	H	α-helix	trans	-62.8	-46.2	180	175.6	165.8	-172.3	0	0	111.2	R196 L200 H202 M239 Y240 L241	R196-E237 IonicContact CZ-OE1 2.79Å; R196-E237 IonicContact NH1-OE1 3.73Å; R196-E237 IonicContact NH2-OE1 3.53Å; R196-E237 PolarHBondContact NH2-OE1 3Å; L200-E237 HydrophobicContact CB-CG 4.24Å; L200-E237 HydrophobicContact CD1-CG 4.07Å; L200-E237 WeakPolarHBondContact CD1-OE1 3.37Å; H202-E237 IonicContact CD2-OE2 3.88Å; H202-E237 IonicContact CE1-OE2 2.79Å; H202-E237 IonicContact NE2-OE2 3.79Å; H202-E237 PolarHBondContact NE2-OE2 2.83Å; E237-M239 VanDerWaalsContact C-N 3.32Å; E237-M239 PolarHBondContact O-N 3.04Å; E237-Y240 PolarHBondContact O-N 3.5Å; E237-L241 HydrophobicContact CG-CD1 3.86Å; E237-L241 HydrophobicContact CG-CG 4.35Å; E237-L241 WeakPolarHBondContact O-CG 3.32Å; E237-L241 PolarHBondContact O-N 3.19Å
238	T	95.9	Very high	95.8	Very high	86 Å²	86	51.4 Å²	51.4	53%	0.528	29%	0.287	S	S	.	.	H	α-helix	trans	-65.3	-34.9	179.3	56.5	0	0	0	0	112.2	K235 S242	K235-T238 PolarHBondContact O-OG1 2.98Å; T238-S242 WeakPolarHBondContact O-CB 3.41Å; T238-S242 PolarHBondContact O-N 3.44Å; T238-S242 PolarHBondContact O-OG 2.9Å
239	M	96.7	Very high	95.8	Very high	17 Å²	17	47 Å²	47	8%	0.084	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-44.8	172.9	-178.5	-167	67.2	0	0	111.7	V88 I231 K235 I236 E237 S242 A243	V88-M239 HydrophobicContact CG1-CE 4.14Å; V88-M239 HydrophobicContact CG2-CE 4.44Å; V88-M239 HydrophobicContact CG2-CG 4.45Å; I231-M239 HydrophobicContact CD1-SD 4.08Å; K235-M239 VanDerWaalsContact O-CB 3.28Å; K235-M239 WeakPolarHBondContact O-CB 3.39Å; K235-M239 PolarHBondContact O-N 3.04Å; I236-M239 WeakPolarHBondContact O-CB 3.46Å; I236-M239 PolarHBondContact O-N 3.4Å; E237-M239 VanDerWaalsContact C-N 3.32Å; E237-M239 PolarHBondContact O-N 3.04Å; M239-S242 PolarHBondContact O-OG 2.98Å; M239-A243 WeakPolarHBondContact O-CB 3.37Å; M239-A243 PolarHBondContact O-N 3.25Å
240	Y	97.3	Very high	95.8	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-72.7	-40	179.4	-74.4	-59.7	0	0	0	112.7	V88 N94 S96 L200 I236 E237 S242 A243 H244	V88-Y240 HydrophobicContact CG1-CE1 3.84Å; V88-Y240 HydrophobicContact CG2-CD1 3.88Å; V88-Y240 HydrophobicContact CG2-CE1 3.85Å; N94-Y240 PolarHBondContact ND2-OH 3.46Å; N94-Y240 PolarHBondContact OD1-OH 3.46Å; S96-Y240 VanDerWaalsContact CB-CE1 3.44Å; S96-Y240 VanDerWaalsContact CB-CE2 3.46Å; L200-Y240 WeakPolarHBondContact O-CD2 3.41Å; I236-Y240 HydrophobicContact CG2-CD2 3.77Å; I236-Y240 HydrophobicContact CG2-CE2 3.56Å; I236-Y240 VanDerWaalsContact O-CD2 3.25Å; I236-Y240 WeakPolarHBondContact O-CD2 3.42Å; I236-Y240 PolarHBondContact O-N 3.34Å; I236-Y240 VanDerWaalsContact O-N 3.11Å; E237-Y240 PolarHBondContact O-N 3.5Å; Y240-S242 PolarHBondContact O-N 3.36Å; Y240-A243 PolarHBondContact O-N 2.95Å; Y240-H244 PolarHBondContact O-CD2 3.02Å; Y240-H244 VanDerWaalsContact O-CD2 3.25Å; Y240-H244 PolarHBondContact O-N 3.11Å; Y240-H244 PolarHBondContact O-ND1 3.19Å
241	L	96.5	Very high	95.8	Very high	72 Å²	72	43.3 Å²	43.3	38%	0.377	26%	0.256	S	S	.	.	H	α-helix	trans	-61.2	-45	175.5	-70.4	173.9	0	0	0	112	L200 E237 A243 H244 A245	L200-L241 HydrophobicContact CD2-CD2 3.71Å; L200-L241 HydrophobicContact CD2-CG 3.99Å; E237-L241 HydrophobicContact CG-CD1 3.86Å; E237-L241 HydrophobicContact CG-CG 4.35Å; E237-L241 WeakPolarHBondContact O-CG 3.32Å; E237-L241 PolarHBondContact O-N 3.19Å; L241-A243 VanDerWaalsContact C-N 3.33Å; L241-A243 PolarHBondContact O-N 3.39Å; L241-H244 PolarHBondContact O-N 2.78Å; L241-A245 PolarHBondContact O-N 3.14Å; L241-A245 VanDerWaalsContact O-N 3.07Å
242	S	96.3	Very high	95.8	Very high	65 Å²	65	44.5 Å²	44.5	46%	0.455	27%	0.266	S	S	.	.	H	α-helix	trans	-63.7	-38.5	175.4	56.8	0	0	0	0	112	T238 M239 Y240 A245 A246	T238-S242 WeakPolarHBondContact O-CB 3.41Å; T238-S242 PolarHBondContact O-N 3.44Å; T238-S242 PolarHBondContact O-OG 2.9Å; M239-S242 PolarHBondContact O-OG 2.98Å; Y240-S242 PolarHBondContact O-N 3.36Å; S242-A245 PolarHBondContact O-N 2.97Å; S242-A246 WeakPolarHBondContact O-CB 3.38Å; S242-A246 PolarHBondContact O-N 2.99Å
243	A	97.1	Very high	95.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-41.1	174	0	0	0	0	0	112.8	Y86 V88 M239 Y240 L241 A245 A246 I247	Y86-A243 WeakPolarHBondContact O-CA 3.47Å; Y86-A243 VanDerWaalsContact O-CB 3.25Å; Y86-A243 WeakPolarHBondContact O-CB 3.47Å; V88-A243 HydrophobicContact CG2-CB 3.57Å; M239-A243 WeakPolarHBondContact O-CB 3.37Å; M239-A243 PolarHBondContact O-N 3.25Å; Y240-A243 PolarHBondContact O-N 2.95Å; L241-A243 VanDerWaalsContact C-N 3.33Å; L241-A243 PolarHBondContact O-N 3.39Å; A243-A245 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 3.04Å; A243-A246 PolarHBondContact O-N 3.48Å; A243-I247 WeakPolarHBondContact O-CB 3.08Å; A243-I247 WeakPolarHBondContact O-CD1 3.48Å; A243-I247 WeakPolarHBondContact O-CG1 3.13Å; A243-I247 PolarHBondContact O-N 2.97Å
244	H	97.1	Very high	95.4	Very high	4 Å²	4	51 Å²	51	2%	0.019	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-41.8	176	-61.1	161.9	0	0	0	111.8	Y99 C100 L103 Y240 L241 R248	Y99-H244 AromaticContact CD1-CE1 3.73Å; Y99-H244 AromaticContact CD1-NE2 3.35Å; Y99-H244 WeakPolarHBondContact CD1-NE2 3.15Å; Y99-H244 AromaticContact CE1-CD2 3.99Å; Y99-H244 AromaticContact CE1-CE1 3.52Å; Y99-H244 AromaticContact CE1-NE2 3.47Å; Y99-H244 WeakPolarHBondContact CE1-NE2 3.49Å; C100-H244 PolarHBondContact SG-NE2 3.1Å; L103-H244 HydrophobicContact CD2-CB 4.09Å; Y240-H244 PolarHBondContact O-CD2 3.02Å; Y240-H244 VanDerWaalsContact O-CD2 3.25Å; Y240-H244 PolarHBondContact O-N 3.11Å; Y240-H244 PolarHBondContact O-ND1 3.19Å; L241-H244 PolarHBondContact O-N 2.78Å; H244-R248 WeakPolarHBondContact O-CG 3.37Å; H244-R248 PolarHBondContact O-N 3.28Å; H244-R248 VanDerWaalsContact O-N 3.13Å
245	A	96.5	Very high	95.1	Very high	61 Å²	61	51 Å²	51	50%	0.504	30%	0.297	S	S	.	.	H	α-helix	trans	-64.2	-46.2	175.1	0	0	0	0	0	111.5	L241 S242 A243 I247 R248 A249	L241-A245 PolarHBondContact O-N 3.14Å; L241-A245 VanDerWaalsContact O-N 3.07Å; S242-A245 PolarHBondContact O-N 2.97Å; A243-A245 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 3.04Å; A245-I247 PolarHBondContact O-N 3.28Å; A245-R248 PolarHBondContact O-N 2.98Å; A245-A249 WeakPolarHBondContact O-CB 3.45Å; A245-A249 PolarHBondContact O-N 3.15Å
246	A	97.1	Very high	94.7	Very high	37 Å²	37	54.5 Å²	54.5	31%	0.306	31%	0.312	S	S	.	.	H	α-helix	trans	-63.4	-38.8	179.1	0	0	0	0	0	112.8	Y86 S242 A243 A249 D250	Y86-A246 HydrophobicContact CD1-CB 3.91Å; S242-A246 WeakPolarHBondContact O-CB 3.38Å; S242-A246 PolarHBondContact O-N 2.99Å; A243-A246 PolarHBondContact O-N 3.48Å; A246-A249 PolarHBondContact O-N 3.47Å; A246-D250 PolarHBondContact O-N 2.83Å
247	I	97	Very high	94.3	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-64.6	-41.9	175.4	-72.2	165.5	0	0	0	111.2	L83 Y86 C100 L103 L104 R107 A243 A245 D250	L83-I247 HydrophobicContact CD2-CD1 4.16Å; Y86-I247 HydrophobicContact CD1-CG1 3.75Å; Y86-I247 HydrophobicContact CD2-CG1 3.91Å; Y86-I247 HydrophobicContact CE1-CG1 4.14Å; Y86-I247 HydrophobicContact CE2-CG1 4.3Å; Y86-I247 HydrophobicContact CG-CD1 4.45Å; Y86-I247 HydrophobicContact CG-CG1 3.61Å; C100-I247 HydrophobicContact CB-CD1 3.99Å; L103-I247 HydrophobicContact CD2-CG2 4.22Å; L103-I247 HydrophobicContact CG-CG2 3.95Å; L104-I247 HydrophobicContact CB-CD1 4.42Å; L104-I247 HydrophobicContact CB-CG2 3.98Å; L104-I247 HydrophobicContact CD1-CG1 4.41Å; L104-I247 HydrophobicContact CD1-CG2 3.94Å; R107-I247 HydrophobicContact CG-CG2 4.46Å; A243-I247 WeakPolarHBondContact O-CB 3.08Å; A243-I247 WeakPolarHBondContact O-CD1 3.48Å; A243-I247 WeakPolarHBondContact O-CG1 3.13Å; A243-I247 PolarHBondContact O-N 2.97Å; A245-I247 PolarHBondContact O-N 3.28Å; I247-D250 CarbonylContact O-C 3.55Å
248	R	95.3	Very high	93.9	Very high	63 Å²	63	65.6 Å²	65.6	24%	0.238	38%	0.382	C	S	.	.	H	α-helix	trans	-66.6	-38.2	176.9	-75.7	-171.5	176.3	92.7	-6.6	111.8	R107 A122 H244 A245	R107-R248 HydrophobicContact CG-CG 4.45Å; A122-R248 PolarHBondContact O-NH2 3.45Å; H244-R248 WeakPolarHBondContact O-CG 3.37Å; H244-R248 PolarHBondContact O-N 3.28Å; H244-R248 VanDerWaalsContact O-N 3.13Å; A245-R248 PolarHBondContact O-N 2.98Å
249	A	95.3	Very high	93.4	Very high	84 Å²	84	72.1 Å²	72.1	69%	0.694	40%	0.397	S	S	*	.	H	α-helix	trans	-67.5	-47.7	178.5	0	0	0	0	0	112.7	A245 A246	A245-A249 WeakPolarHBondContact O-CB 3.45Å; A245-A249 PolarHBondContact O-N 3.15Å; A246-A249 PolarHBondContact O-N 3.47Å
250	D	94.7	Very high	93	Very high	48 Å²	48	78.6 Å²	78.6	26%	0.257	43%	0.431	S	S	.	.			trans	-137.8	92.6	177.4	-176.5	23.1	0	0	0	113.5	R85 Y86 K111 A246 I247 S252	R85-D250 IonicContact CZ-OD2 3.88Å; R85-D250 IonicContact NH1-OD2 2.73Å; R85-D250 IonicContact NH2-OD2 2.83Å; R85-D250 PolarHBondContact NH2-OD2 3.46Å; Y86-D250 WeakPolarHBondContact CE1-O 3.37Å; Y86-D250 PolarHBondContact OH-O 3.11Å; K111-D250 IonicContact NZ-OD1 2.87Å; A246-D250 PolarHBondContact O-N 2.83Å; I247-D250 CarbonylContact O-C 3.55Å; D250-S252 PolarHBondContact O-N 2.8Å; D250-S252 WeakPolarHBondContact OD1-CB 3.41Å; D250-S252 PolarHBondContact OD1-N 2.98Å; D250-S252 PolarHBondContact OD1-OG 3.36Å; D250-S252 PolarHBondContact OD2-OG 3.24Å
251	P	95.3	Very high	92.5	Very high	6 Å²	6	83.4 Å²	83.4	4%	0.039	46%	0.461	C	S	.	.			trans	-79.1	3.7	174.8	32.6	-35.3	0	0	0	113	L104 R107 R108 K111	L104-P251 HydrophobicContact CD1-CB 4.37Å; R107-P251 HydrophobicContact CB-CB 3.69Å; R107-P251 HydrophobicContact CB-CG 4.08Å; R108-P251 WeakPolarHBondContact CD-O 3.43Å; R108-P251 HydrophobicContact CG-CB 3.89Å; R108-P251 WeakPolarHBondContact CG-O 3.32Å; R108-P251 PolarHBondContact NE-O 3.44Å; K111-P251 HydrophobicContact CB-CG 4.21Å; K111-P251 HydrophobicContact CD-CG 3.57Å
252	S	93.5	Very high	92.1	Very high	44 Å²	44	87.4 Å²	87.4	31%	0.308	48%	0.478	S	S	.	.			trans	-55.3	147.3	-173.9	66.6	0	0	0	0	114.1	R85 Y86 R108 D250	R85-S252 PolarHBondContact NH1-O 3.01Å; R85-S252 PolarHBondContact NH1-OG 3.14Å; R85-S252 VanDerWaalsContact NH1-OG 3.15Å; Y86-S252 PolarHBondContact OH-O 3.47Å; R108-S252 PolarHBondContact NH2-O 3.41Å; D250-S252 PolarHBondContact O-N 2.8Å; D250-S252 WeakPolarHBondContact OD1-CB 3.41Å; D250-S252 PolarHBondContact OD1-N 2.98Å; D250-S252 PolarHBondContact OD1-OG 3.36Å; D250-S252 PolarHBondContact OD2-OG 3.24Å
253	H	91.9	Very high	91.7	Very high	99 Å²	99	90 Å²	90	46%	0.458	49%	0.493	S	S	.	.			trans	-91.8	128.9	171.4	180	71.8	0	0	0	109.8	E82 T255	E82-H253 IonicContact OE1-CE1 3.46Å; E82-H253 PolarHBondContact OE1-CE1 2.72Å; E82-H253 VanDerWaalsContact OE1-CE1 3.26Å; E82-H253 IonicContact OE1-ND1 2.61Å; E82-H253 PolarHBondContact OE1-ND1 2.97Å; H253-T255 PolarHBondContact O-N 3.24Å
254	I	89.4	Confident	91.3	Very high	103 Å²	103	97.9 Å²	97.9	53%	0.528	53%	0.527	S	S	.	.			trans	-83.7	112.9	174.8	-59.5	176.9	0	0	0	108.8
255	T	87.1	Confident	91	Very high	113 Å²	113	104.4 Å²	104.4	69%	0.693	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-72	130.1	169.8	50.3	0	0	0	0	110.1	H253	H253-T255 PolarHBondContact O-N 3.24Å
256	K	87.5	Confident	90.9	Very high	188 Å²	188	109.8 Å²	109.8	82%	0.817	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-78.9	136.9	171.4	-66.4	179.7	-178.9	175	0	109.5
257	E	86.9	Confident	90.8	Very high	183 Å²	183	114.1 Å²	114.1	86%	0.855	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-60.1	138.2	174.4	-65.9	178.9	173.6	0	0	111.1	R259	E257-R259 PolarHBondContact O-N 3.34Å
258	A	86.8	Confident	90.5	Very high	103 Å²	103	125.5 Å²	125.5	85%	0.851	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-68.6	119.5	175.6	0	0	0	0	0	109
259	R	86.8	Confident	90.4	Very high	224 Å²	224	131.9 Å²	131.9	85%	0.845	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-81.2	129.3	174.5	-61.3	-179.6	-179.1	-177.4	-2.9	109.2	E257 V261	E257-R259 PolarHBondContact O-N 3.34Å; R259-V261 HydrophobicContact CB-CG2 3.78Å; R259-V261 PolarHBondContact O-N 2.93Å; R259-V261 VanDerWaalsContact O-N 3.1Å
260	D	86.9	Confident	90.4	Very high	152 Å²	152	137.1 Å²	137.1	81%	0.813	66%	0.656	S	S	*	*			trans	-74.1	97.7	167.9	-173.2	17.3	0	0	0	109.1
261	V	87.9	Confident	90.4	Very high	103 Å²	103	138.3 Å²	138.3	62%	0.624	66%	0.663	S	S	*	*			trans	-125.2	121.5	-180	-177.3	0	0	0	0	108.9	R259 P263	R259-V261 HydrophobicContact CB-CG2 3.78Å; R259-V261 PolarHBondContact O-N 2.93Å; R259-V261 VanDerWaalsContact O-N 3.1Å; V261-P263 WeakPolarHBondContact O-CD 3.43Å
262	Q	87.4	Confident	90.5	Very high	155 Å²	155	140.7 Å²	140.7	72%	0.724	68%	0.679	S	S	*	*			trans	-64.6	121.8	173.1	-66.3	-61	-29.7	0	0	110.2	K264	Q262-K264 PolarHBondContact O-N 3.25Å
263	P	87.7	Confident	90.6	Very high	121 Å²	121	142.5 Å²	142.5	79%	0.786	69%	0.692	S	S	*	*			trans	-69.8	103.9	-171.2	26	-33.5	0	0	0	111.5	V261	V261-P263 WeakPolarHBondContact O-CD 3.43Å
264	K	90.1	Very high	90.9	Very high	165 Å²	165	146.2 Å²	146.2	72%	0.717	71%	0.706	S	S	*	*			trans	-74.2	137.1	170.1	-169.8	174.3	-176.9	175.3	0	110.5	Q262 F266	Q262-K264 PolarHBondContact O-N 3.25Å; K264-F266 HydrophobicContact CB-CE2 4.27Å; K264-F266 HydrophobicContact CB-CZ 4.12Å; K264-F266 HydrophobicContact CD-CE1 4.17Å; K264-F266 HydrophobicContact CD-CZ 4.24Å; K264-F266 HydrophobicContact CG-CE1 4.46Å; K264-F266 HydrophobicContact CG-CZ 4.32Å; K264-F266 WeakPolarHBondContact O-CD2 3.42Å; K264-F266 WeakPolarHBondContact O-CE2 3.3Å
265	R	90.6	Very high	91.2	Very high	140 Å²	140	146.4 Å²	146.4	53%	0.528	71%	0.705	S	S	.	*			trans	-91.1	115.2	177.6	-172.5	179.8	178.4	142.5	12.5	111.5	N267 R268 R269	R265-N267 WeakPolarHBondContact CG-O 3.44Å; R265-N267 PolarHBondContact NE-O 3.23Å; R265-R268 PolarHBondContact NH2-O 3.45Å; R265-R269 VanDerWaalsContact NH2-CA 3.34Å
266	F	93.5	Very high	91.7	Very high	174 Å²	174	147.6 Å²	147.6	76%	0.763	70%	0.697	S	S	*	*			trans	-92.4	-19.6	175.4	-57	-80.7	0	0	0	113.7	K264	K264-F266 HydrophobicContact CB-CE2 4.27Å; K264-F266 HydrophobicContact CB-CZ 4.12Å; K264-F266 HydrophobicContact CD-CE1 4.17Å; K264-F266 HydrophobicContact CD-CZ 4.24Å; K264-F266 HydrophobicContact CG-CE1 4.46Å; K264-F266 HydrophobicContact CG-CZ 4.32Å; K264-F266 WeakPolarHBondContact O-CD2 3.42Å; K264-F266 WeakPolarHBondContact O-CE2 3.3Å
267	N	94.8	Very high	92.2	Very high	129 Å²	129	146 Å²	146	69%	0.69	69%	0.69	S	S	*	*	S	Bend	trans	-95.2	140.7	-175.6	-65.4	-27.9	0	0	0	112.2	R265	R265-N267 WeakPolarHBondContact CG-O 3.44Å; R265-N267 PolarHBondContact NE-O 3.23Å
268	R	92.3	Very high	92.7	Very high	239 Å²	239	140 Å²	140	90%	0.902	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-57.1	145.8	173.5	-70.4	-176.9	172.8	179.3	-2.5	111.7	R265	R265-R268 PolarHBondContact NH2-O 3.45Å
269	R	92.2	Very high	93.2	Very high	196 Å²	196	141.7 Å²	141.7	74%	0.74	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-70.4	140.8	170.6	-52	-149.8	169.9	175.2	-4.8	109.7	R265 L271	R265-R269 VanDerWaalsContact NH2-CA 3.34Å; R269-L271 PolarHBondContact O-N 3.35Å
270	K	95.2	Very high	93.6	Very high	194 Å²	194	134.9 Å²	134.9	84%	0.843	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-61.7	124	168.7	-75.9	-175.6	179.5	176.7	0	107.2	S272	K270-S272 PolarHBondContact O-N 3.48Å
271	L	94.5	Very high	94.1	Very high	74 Å²	74	135.3 Å²	135.3	39%	0.387	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-59.1	135.8	177.5	-70	170.4	0	0	0	110	R269 Q275 R276	R269-L271 PolarHBondContact O-N 3.35Å; L271-Q275 HydrophobicContact CB-CB 4.46Å; L271-Q275 HydrophobicContact CD2-CB 4.21Å; L271-R276 HydrophobicContact CB-CG 3.81Å; L271-R276 HydrophobicContact CD1-CG 4.4Å; L271-R276 PolarHBondContact O-NE 3Å; L271-R276 PolarHBondContact O-NH2 3.35Å
272	S	97.1	Very high	94.6	Very high	55 Å²	55	136 Å²	136	39%	0.385	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-66.8	159.5	173.3	76.8	0	0	0	0	110.8	K270 K274 Q275 R276	K270-S272 PolarHBondContact O-N 3.48Å; S272-K274 VanDerWaalsContact C-N 3.28Å; S272-K274 PolarHBondContact O-N 3.03Å; S272-Q275 PolarHBondContact O-N 3.03Å; S272-Q275 VanDerWaalsContact OG-CG 3.31Å; S272-Q275 WeakPolarHBondContact OG-CG 3.39Å; S272-Q275 PolarHBondContact OG-N 3.22Å; S272-Q275 PolarHBondContact OG-OE1 3.42Å; S272-R276 WeakPolarHBondContact O-CG 3.25Å; S272-R276 PolarHBondContact O-N 3.36Å
273	S	96.8	Very high	95	Very high	82 Å²	82	134.8 Å²	134.8	57%	0.573	61%	0.609	S	S	*	*	H	α-helix	trans	-56.6	-43.5	177.6	-176	0	0	0	0	111.6	R276 K277	S273-R276 PolarHBondContact O-N 3.48Å; S273-K277 PolarHBondContact O-N 3.23Å
274	K	97.1	Very high	95.5	Very high	177 Å²	177	136 Å²	136	77%	0.77	60%	0.601	S	S	*	*	H	α-helix	trans	-59.2	-48.7	176.4	-172.7	176.9	-179.8	179.1	0	111.9	S272 R276 K277 E278	S272-K274 VanDerWaalsContact C-N 3.28Å; S272-K274 PolarHBondContact O-N 3.03Å; K274-R276 VanDerWaalsContact C-N 3.3Å; K274-R276 PolarHBondContact O-N 3.25Å; K274-K277 PolarHBondContact O-N 2.97Å; K274-E278 WeakPolarHBondContact O-CB 3.42Å; K274-E278 PolarHBondContact O-N 2.96Å
275	Q	97	Very high	95.8	Very high	108 Å²	108	130.9 Å²	130.9	51%	0.505	59%	0.59	S	S	.	*	H	α-helix	trans	-60.5	-38.2	177.6	-73.2	171.2	-26	0	0	112.3	L271 S272 R279	L271-Q275 HydrophobicContact CB-CB 4.46Å; L271-Q275 HydrophobicContact CD2-CB 4.21Å; S272-Q275 PolarHBondContact O-N 3.03Å; S272-Q275 VanDerWaalsContact OG-CG 3.31Å; S272-Q275 WeakPolarHBondContact OG-CG 3.39Å; S272-Q275 PolarHBondContact OG-N 3.22Å; S272-Q275 PolarHBondContact OG-OE1 3.42Å; Q275-R279 VanDerWaalsContact O-CB 3.25Å; Q275-R279 WeakPolarHBondContact O-CB 3.33Å; Q275-R279 PolarHBondContact O-N 3.1Å
276	R	97.5	Very high	96.1	Very high	138 Å²	138	129.7 Å²	129.7	52%	0.521	59%	0.59	S	S	.	*	H	α-helix	trans	-66.7	-47.2	177	-67.5	178.5	-158	-179.8	5.9	111.8	L271 S272 S273 K274 E278 R279 V280	L271-R276 HydrophobicContact CB-CG 3.81Å; L271-R276 HydrophobicContact CD1-CG 4.4Å; L271-R276 PolarHBondContact O-NE 3Å; L271-R276 PolarHBondContact O-NH2 3.35Å; S272-R276 WeakPolarHBondContact O-CG 3.25Å; S272-R276 PolarHBondContact O-N 3.36Å; S273-R276 PolarHBondContact O-N 3.48Å; K274-R276 VanDerWaalsContact C-N 3.3Å; K274-R276 PolarHBondContact O-N 3.25Å; R276-E278 VanDerWaalsContact C-N 3.34Å; R276-R279 PolarHBondContact O-N 2.9Å; R276-V280 WeakPolarHBondContact O-CG2 3.31Å; R276-V280 PolarHBondContact O-N 3.3Å; R276-V280 VanDerWaalsContact O-N 3.1Å
277	K	97.4	Very high	96.3	Very high	155 Å²	155	128.6 Å²	128.6	67%	0.674	58%	0.582	S	S	*	*	H	α-helix	trans	-60.8	-45.8	177.7	-71.4	-176.6	179.7	-174	0	111.1	S273 K274 R279 V280 R281	S273-K277 PolarHBondContact O-N 3.23Å; K274-K277 PolarHBondContact O-N 2.97Å; K277-R279 PolarHBondContact O-N 3.23Å; K277-V280 PolarHBondContact O-N 3.05Å; K277-R281 PolarHBondContact O-N 3.3Å
278	E	97.3	Very high	96.3	Very high	56 Å²	56	127.2 Å²	127.2	26%	0.262	57%	0.574	S	S	.	*	H	α-helix	trans	-61.7	-46.3	179	-174.2	53.8	-144.5	0	0	111.9	K274 R276 V280 R281 Q282	K274-E278 WeakPolarHBondContact O-CB 3.42Å; K274-E278 PolarHBondContact O-N 2.96Å; R276-E278 VanDerWaalsContact C-N 3.34Å; E278-V280 VanDerWaalsContact C-N 3.27Å; E278-V280 PolarHBondContact O-N 3.03Å; E278-R281 WeakPolarHBondContact O-CB 3.33Å; E278-R281 PolarHBondContact O-N 3.14Å; E278-R281 VanDerWaalsContact O-N 3.09Å; E278-R281 IonicContact OE1-CZ 3.33Å; E278-R281 IonicContact OE1-NE 3.14Å; E278-R281 PolarHBondContact OE1-NE 3.09Å; E278-R281 VanDerWaalsContact OE1-NE 3.14Å; E278-R281 IonicContact OE1-NH2 2.72Å; E278-R281 PolarHBondContact OE1-NH2 3Å; E278-R281 IonicContact OE2-CZ 3.07Å; E278-R281 IonicContact OE2-NE 3.03Å; E278-R281 PolarHBondContact OE2-NE 3.35Å; E278-R281 IonicContact OE2-NH2 2.86Å; E278-R281 PolarHBondContact OE2-NH2 3.29Å; E278-Q282 HydrophobicContact CG-CG 4.41Å; E278-Q282 WeakPolarHBondContact O-CG 3.45Å; E278-Q282 PolarHBondContact O-N 3.05Å; E278-Q282 WeakPolarHBondContact OE1-CG 3.4Å; E278-Q282 PolarHBondContact OE1-NE2 3.34Å
279	R	96.3	Very high	96.5	Very high	139 Å²	139	118.4 Å²	118.4	53%	0.525	55%	0.549	S	S	.	.	H	α-helix	trans	-57.8	-40.2	176	-175.3	-178.9	-175.2	-162	0.4	112.3	Q275 R276 K277 K283	Q275-R279 VanDerWaalsContact O-CB 3.25Å; Q275-R279 WeakPolarHBondContact O-CB 3.33Å; Q275-R279 PolarHBondContact O-N 3.1Å; R276-R279 PolarHBondContact O-N 2.9Å; K277-R279 PolarHBondContact O-N 3.23Å; R279-K283 WeakPolarHBondContact O-CB 3.46Å; R279-K283 WeakPolarHBondContact O-CG 3.38Å; R279-K283 PolarHBondContact O-N 3.2Å
280	V	97	Very high	96.6	Very high	81 Å²	81	112.9 Å²	112.9	49%	0.491	53%	0.532	S	S	.	.	H	α-helix	trans	-66.5	-43.4	176.4	172	0	0	0	0	110.7	R276 K277 E278 K283 K284	R276-V280 WeakPolarHBondContact O-CG2 3.31Å; R276-V280 PolarHBondContact O-N 3.3Å; R276-V280 VanDerWaalsContact O-N 3.1Å; K277-V280 PolarHBondContact O-N 3.05Å; E278-V280 VanDerWaalsContact C-N 3.27Å; E278-V280 PolarHBondContact O-N 3.03Å; V280-K283 PolarHBondContact O-N 2.86Å; V280-K284 WeakPolarHBondContact O-CG 3.42Å; V280-K284 PolarHBondContact O-N 3.49Å
281	R	96.8	Very high	96.6	Very high	160 Å²	160	106.7 Å²	106.7	60%	0.604	51%	0.507	S	S	*	.	H	α-helix	trans	-58.5	-50.8	176.1	-174.8	177.8	72.3	158.3	6.8	111.6	K277 E278 K283 K284 A285	K277-R281 PolarHBondContact O-N 3.3Å; E278-R281 WeakPolarHBondContact O-CB 3.33Å; E278-R281 PolarHBondContact O-N 3.14Å; E278-R281 VanDerWaalsContact O-N 3.09Å; E278-R281 IonicContact OE1-CZ 3.33Å; E278-R281 IonicContact OE1-NE 3.14Å; E278-R281 PolarHBondContact OE1-NE 3.09Å; E278-R281 VanDerWaalsContact OE1-NE 3.14Å; E278-R281 IonicContact OE1-NH2 2.72Å; E278-R281 PolarHBondContact OE1-NH2 3Å; E278-R281 IonicContact OE2-CZ 3.07Å; E278-R281 IonicContact OE2-NE 3.03Å; E278-R281 PolarHBondContact OE2-NE 3.35Å; E278-R281 IonicContact OE2-NH2 2.86Å; E278-R281 PolarHBondContact OE2-NH2 3.29Å; R281-K283 VanDerWaalsContact C-N 3.33Å; R281-K283 PolarHBondContact O-N 2.72Å; R281-K284 PolarHBondContact O-N 2.96Å; R281-A285 PolarHBondContact O-N 3.4Å
282	Q	97.3	Very high	96.6	Very high	117 Å²	117	110.4 Å²	110.4	55%	0.547	52%	0.52	S	S	.	.	H	α-helix	trans	-58.5	-43.3	177.6	-70.9	175.8	-7.1	0	0	111.9	E278 A285 H286	E278-Q282 HydrophobicContact CG-CG 4.41Å; E278-Q282 WeakPolarHBondContact O-CG 3.45Å; E278-Q282 PolarHBondContact O-N 3.05Å; E278-Q282 WeakPolarHBondContact OE1-CG 3.4Å; E278-Q282 PolarHBondContact OE1-NE2 3.34Å; Q282-A285 PolarHBondContact O-N 2.91Å; Q282-H286 WeakPolarHBondContact O-CB 3.48Å; Q282-H286 PolarHBondContact O-N 2.86Å
283	K	97.4	Very high	96.4	Very high	131 Å²	131	114.1 Å²	114.1	57%	0.57	53%	0.53	S	S	*	.	H	α-helix	trans	-62.5	-43.4	176.2	-79.5	-172.7	171	-154.9	0	113.1	R279 V280 R281 H286 Y287	R279-K283 WeakPolarHBondContact O-CB 3.46Å; R279-K283 WeakPolarHBondContact O-CG 3.38Å; R279-K283 PolarHBondContact O-N 3.2Å; V280-K283 PolarHBondContact O-N 2.86Å; R281-K283 VanDerWaalsContact C-N 3.33Å; R281-K283 PolarHBondContact O-N 2.72Å; K283-H286 PolarHBondContact O-N 3Å; K283-Y287 WeakPolarHBondContact O-CB 3.48Å; K283-Y287 PolarHBondContact O-N 3.5Å
284	K	97.3	Very high	96.2	Very high	145 Å²	145	116.1 Å²	116.1	63%	0.63	53%	0.53	S	S	*	.	H	α-helix	trans	-63	-45.3	176.5	-74.1	-174.8	175.9	-168.6	0	111.4	V280 R281 Y287 L288	V280-K284 WeakPolarHBondContact O-CG 3.42Å; V280-K284 PolarHBondContact O-N 3.49Å; R281-K284 PolarHBondContact O-N 2.96Å; K284-Y287 PolarHBondContact O-N 3.39Å; K284-L288 WeakPolarHBondContact O-CG 3.48Å; K284-L288 PolarHBondContact O-N 3.22Å
285	A	97	Very high	96.1	Very high	58 Å²	58	111.8 Å²	111.8	48%	0.479	51%	0.514	S	S	.	.	H	α-helix	trans	-61.8	-44.7	177.8	0	0	0	0	0	112.1	R281 Q282 Y287 L288 S289	R281-A285 PolarHBondContact O-N 3.4Å; Q282-A285 PolarHBondContact O-N 2.91Å; A285-Y287 PolarHBondContact O-N 3.19Å; A285-L288 PolarHBondContact O-N 3.36Å; A285-S289 PolarHBondContact O-N 3.21Å
286	H	96.7	Very high	95.8	Very high	115 Å²	115	109.6 Å²	109.6	53%	0.532	52%	0.515	S	S	.	.	H	α-helix	trans	-60.6	-44.8	175.5	178.1	-85.1	0	0	0	112.2	Q282 K283 S289 Q290	Q282-H286 WeakPolarHBondContact O-CB 3.48Å; Q282-H286 PolarHBondContact O-N 2.86Å; K283-H286 PolarHBondContact O-N 3Å; H286-S289 WeakPolarHBondContact O-CB 3.38Å; H286-S289 PolarHBondContact O-N 3Å; H286-Q290 WeakPolarHBondContact O-CG 3.47Å; H286-Q290 PolarHBondContact O-N 2.99Å
287	Y	96.5	Very high	95.4	Very high	151 Å²	151	107 Å²	107	59%	0.592	52%	0.523	S	S	*	.	H	α-helix	trans	-59.8	-46.8	177.3	179.9	-99	0	0	0	112.1	K283 K284 A285 S289 Q290 L291	K283-Y287 WeakPolarHBondContact O-CB 3.48Å; K283-Y287 PolarHBondContact O-N 3.5Å; K284-Y287 PolarHBondContact O-N 3.39Å; A285-Y287 PolarHBondContact O-N 3.19Å; Y287-S289 VanDerWaalsContact C-N 3.27Å; Y287-S289 PolarHBondContact O-N 3.39Å; Y287-Q290 PolarHBondContact O-N 3.5Å; Y287-L291 PolarHBondContact O-N 3Å
288	L	95.9	Very high	94.9	Very high	100 Å²	100	103.9 Å²	103.9	52%	0.524	53%	0.526	S	S	.	.	H	α-helix	trans	-61.2	-36.8	176	-70.1	170.9	0	0	0	112.3	K284 A285 K292	K284-L288 WeakPolarHBondContact O-CG 3.48Å; K284-L288 PolarHBondContact O-N 3.22Å; A285-L288 PolarHBondContact O-N 3.36Å; L288-K292 WeakPolarHBondContact O-CG 3.33Å; L288-K292 PolarHBondContact O-N 2.99Å; L288-K292 VanDerWaalsContact O-N 3.08Å
289	S	95.2	Very high	93.8	Very high	54 Å²	54	111 Å²	111	38%	0.378	56%	0.56	S	S	.	*	H	α-helix	trans	-66.4	-38.1	175.3	177.4	0	0	0	0	113	A285 H286 Y287 K293	A285-S289 PolarHBondContact O-N 3.21Å; H286-S289 WeakPolarHBondContact O-CB 3.38Å; H286-S289 PolarHBondContact O-N 3Å; Y287-S289 VanDerWaalsContact C-N 3.27Å; Y287-S289 PolarHBondContact O-N 3.39Å; S289-K293 WeakPolarHBondContact O-CG 3.48Å; S289-K293 PolarHBondContact O-N 3.29Å
290	Q	94.9	Very high	93.7	Very high	80 Å²	80	109.7 Å²	109.7	37%	0.374	56%	0.561	S	S	.	*	H	α-helix	trans	-68.4	-46.7	177	-71.2	-70.4	-9.5	0	0	110.7	H286 Y287 K292 K293 E294	H286-Q290 WeakPolarHBondContact O-CG 3.47Å; H286-Q290 PolarHBondContact O-N 2.99Å; Y287-Q290 PolarHBondContact O-N 3.5Å; Q290-K292 VanDerWaalsContact C-N 3.28Å; Q290-K292 PolarHBondContact O-N 3.34Å; Q290-K293 WeakPolarHBondContact O-CA 3.25Å; Q290-K293 WeakPolarHBondContact O-CB 3.49Å; Q290-K293 PolarHBondContact O-N 2.91Å; Q290-E294 PolarHBondContact O-N 3.26Å
291	L	94.8	Very high	93.5	Very high	64 Å²	64	111.2 Å²	111.2	34%	0.335	57%	0.565	S	S	.	*	H	α-helix	trans	-56.3	-43	176.8	-162.5	94.6	0	0	0	111.8	Y287 K293 E294 I295	Y287-L291 PolarHBondContact O-N 3Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 3Å; L291-E294 PolarHBondContact O-N 3.08Å; L291-I295 HydrophobicContact CD2-CD1 4.13Å; L291-I295 HydrophobicContact CG-CD1 4.18Å; L291-I295 WeakPolarHBondContact O-CD1 3.41Å; L291-I295 VanDerWaalsContact O-CG1 3.25Å; L291-I295 WeakPolarHBondContact O-CG1 3.44Å; L291-I295 PolarHBondContact O-N 3.42Å
292	K	94.3	Very high	93.3	Very high	152 Å²	152	108.4 Å²	108.4	66%	0.661	56%	0.563	S	S	*	*	H	α-helix	trans	-61.6	-37.5	175.6	-77.4	-178.6	177.4	-166.9	0	113	L288 Q290 A296	L288-K292 WeakPolarHBondContact O-CG 3.33Å; L288-K292 PolarHBondContact O-N 2.99Å; L288-K292 VanDerWaalsContact O-N 3.08Å; Q290-K292 VanDerWaalsContact C-N 3.28Å; Q290-K292 PolarHBondContact O-N 3.34Å; K292-A296 WeakPolarHBondContact O-CB 3.34Å; K292-A296 PolarHBondContact O-N 3.42Å; K292-A296 VanDerWaalsContact O-N 3.09Å
293	K	93.9	Very high	93.1	Very high	133 Å²	133	107.9 Å²	107.9	58%	0.578	56%	0.564	S	S	*	*	H	α-helix	trans	-71.4	-40.1	177	-72.9	178.1	177.7	-171.8	0	112	S289 Q290 L291 I295 A296 A297	S289-K293 WeakPolarHBondContact O-CG 3.48Å; S289-K293 PolarHBondContact O-N 3.29Å; Q290-K293 WeakPolarHBondContact O-CA 3.25Å; Q290-K293 WeakPolarHBondContact O-CB 3.49Å; Q290-K293 PolarHBondContact O-N 2.91Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 3Å; K293-I295 VanDerWaalsContact C-N 3.35Å; K293-A296 PolarHBondContact O-N 3.14Å; K293-A297 WeakPolarHBondContact O-CB 3.37Å; K293-A297 PolarHBondContact O-N 3.18Å
294	E	93.6	Very high	92.8	Very high	125 Å²	125	106.5 Å²	106.5	58%	0.584	56%	0.564	S	S	*	*	H	α-helix	trans	-62.6	-42.8	176	-73	173.6	177.3	0	0	111.3	Q290 L291 A297 A298	Q290-E294 PolarHBondContact O-N 3.26Å; L291-E294 PolarHBondContact O-N 3.08Å; E294-A297 PolarHBondContact O-N 3.05Å; E294-A298 PolarHBondContact O-N 3.33Å; E294-A298 VanDerWaalsContact O-N 3.17Å
295	I	93	Very high	92.5	Very high	85 Å²	85	103.9 Å²	103.9	44%	0.436	56%	0.559	S	S	.	*	H	α-helix	trans	-62.3	-49.7	175.4	-66.8	164.1	0	0	0	110.5	L291 K293 A297 A298 E299	L291-I295 HydrophobicContact CD2-CD1 4.13Å; L291-I295 HydrophobicContact CG-CD1 4.18Å; L291-I295 WeakPolarHBondContact O-CD1 3.41Å; L291-I295 VanDerWaalsContact O-CG1 3.25Å; L291-I295 WeakPolarHBondContact O-CG1 3.44Å; L291-I295 PolarHBondContact O-N 3.42Å; K293-I295 VanDerWaalsContact C-N 3.35Å; I295-A297 PolarHBondContact O-N 3.17Å; I295-A298 PolarHBondContact O-N 3.01Å; I295-E299 PolarHBondContact O-N 3.09Å; I295-E299 VanDerWaalsContact O-N 3.14Å
296	A	91.5	Very high	92.2	Very high	63 Å²	63	107.2 Å²	107.2	52%	0.521	57%	0.565	S	S	.	*	H	α-helix	trans	-67.3	-14.7	179.8	0	0	0	0	0	114.5	K292 K293	K292-A296 WeakPolarHBondContact O-CB 3.34Å; K292-A296 PolarHBondContact O-N 3.42Å; K292-A296 VanDerWaalsContact O-N 3.09Å; K293-A296 PolarHBondContact O-N 3.14Å
297	A	90.3	Very high	91.9	Very high	84 Å²	84	106.6 Å²	106.6	69%	0.694	57%	0.567	S	S	*	*	H	α-helix	trans	-94.5	-13.4	174.1	0	0	0	0	0	112.9	K293 E294 I295	K293-A297 WeakPolarHBondContact O-CB 3.37Å; K293-A297 PolarHBondContact O-N 3.18Å; E294-A297 PolarHBondContact O-N 3.05Å; I295-A297 PolarHBondContact O-N 3.17Å
298	A	86.7	Confident	91.5	Very high	89 Å²	89	102.9 Å²	102.9	74%	0.736	57%	0.565	S	S	*	*	H	α-helix	trans	-94	-21.2	175.5	0	0	0	0	0	112.6	E294 I295	E294-A298 PolarHBondContact O-N 3.33Å; E294-A298 VanDerWaalsContact O-N 3.17Å; I295-A298 PolarHBondContact O-N 3.01Å
299	E	73.8	Confident	91.1	Very high	206 Å²	206	103.2 Å²	103.2	96%	0.963	57%	0.569	S	S	*	*			trans	-79	0	165.8	-68.2	177.2	168.8	0	0	111.2	I295	I295-E299 PolarHBondContact O-N 3.09Å; I295-E299 VanDerWaalsContact O-N 3.14Å

Retrieved 299 of 299 residues in 464.1 ms (Link to these results)

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