A0A077ZI39_TRITR Loading...

arginine kinase

AlphaFold DB , UniProt , Accession A0A077ZI39, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 576 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	42.5	Very low	42.3	Very low	120 Å²	120	72.3 Å²	72.3	59%	0.591	41%	0.407	S	S	*	.				0	-35.6	0	-68.1	-50.5	-168.1	0	0	111	W3 M4 T452	M1-W3 VanDerWaalsContact C-N 3.26Å; M1-W3 PolarHBondContact O-N 2.78Å; M1-W3 VanDerWaalsContact O-N 3.08Å; M1-M4 HydrophobicContact CB-SD 4.26Å; M1-M4 HydrophobicContact CG-SD 4.45Å; M1-M4 WeakPolarHBondContact O-CB 3.46Å; M1-M4 VanDerWaalsContact O-CG 3.27Å; M1-M4 WeakPolarHBondContact O-CG 3.44Å; M1-M4 PolarHBondContact O-N 2.84Å; M1-M4 HydrophobicContact SD-SD 3.58Å; M1-T452 HydrophobicContact CE-CG2 3.15Å; M1-T452 HydrophobicContact SD-CG2 4.16Å
2	D	39.1	Very low	42.4	Very low	93 Å²	93	78.8 Å²	78.8	50%	0.497	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-24.4	-57.9	168.9	-61.8	14.1	0	0	0	113.8	M4 H402	D2-M4 VanDerWaalsContact C-N 3.28Å; D2-M4 PolarHBondContact O-N 2.72Å; D2-H402 VanDerWaalsContact C-NE2 3.28Å; D2-H402 WeakPolarHBondContact CA-CD2 3.49Å; D2-H402 WeakPolarHBondContact CA-NE2 3.3Å; D2-H402 VanDerWaalsContact CB-NE2 3.29Å; D2-H402 WeakPolarHBondContact CB-NE2 3.46Å; D2-H402 WeakPolarHBondContact O-CB 3.43Å; D2-H402 PolarHBondContact O-CD2 2.86Å; D2-H402 PolarHBondContact O-NE2 2.71Å
3	W	49.1	Very low	43	Very low	49 Å²	49	79.6 Å²	79.6	19%	0.186	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-55.9	-22.5	178.1	61.8	-89.9	0	0	0	117.6	M1 Y5 A6 Q337 H501 I527	M1-W3 VanDerWaalsContact C-N 3.26Å; M1-W3 PolarHBondContact O-N 2.78Å; M1-W3 VanDerWaalsContact O-N 3.08Å; W3-Y5 PolarHBondContact O-N 2.74Å; W3-A6 PolarHBondContact O-N 2.93Å; W3-A6 VanDerWaalsContact O-N 3.13Å; W3-Q337 HydrophobicContact CH2-CB 4.07Å; W3-Q337 HydrophobicContact CZ2-CB 4.09Å; W3-H501 AromaticContact CE3-CE1 3.45Å; W3-H501 VanDerWaalsContact CE3-CE1 3.45Å; W3-H501 AromaticContact CE3-ND1 3.57Å; W3-H501 HydrophobicContact CH2-CB 3.18Å; W3-H501 AromaticContact CH2-CE1 3.93Å; W3-H501 AromaticContact CH2-CG 3.37Å; W3-H501 AromaticContact CH2-ND1 3.15Å; W3-H501 WeakPolarHBondContact CH2-ND1 3.48Å; W3-H501 HydrophobicContact CZ2-CB 4.48Å; W3-H501 HydrophobicContact CZ3-CB 3.34Å; W3-H501 AromaticContact CZ3-CD2 3.53Å; W3-H501 AromaticContact CZ3-CE1 3.1Å; W3-H501 WeakPolarHBondContact CZ3-CE1 3.32Å; W3-H501 AromaticContact CZ3-CG 3.03Å; W3-H501 AromaticContact CZ3-ND1 2.78Å; W3-H501 WeakPolarHBondContact CZ3-ND1 3.26Å; W3-H501 AromaticContact CZ3-NE2 3.59Å; W3-I527 HydrophobicContact CB-CG2 4.14Å; W3-I527 HydrophobicContact CD2-CG2 4.26Å; W3-I527 HydrophobicContact CE3-CG2 3.67Å; W3-I527 HydrophobicContact CG-CG2 4.42Å; W3-I527 HydrophobicContact CZ3-CG2 4.21Å
4	M	43	Very low	43.1	Very low	11 Å²	11	88.9 Å²	88.9	5%	0.054	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-58.8	-19.9	-175.8	-69.5	171.8	76.7	0	0	113.9	M1 D2 M450	M1-M4 HydrophobicContact CB-SD 4.26Å; M1-M4 HydrophobicContact CG-SD 4.45Å; M1-M4 WeakPolarHBondContact O-CB 3.46Å; M1-M4 VanDerWaalsContact O-CG 3.27Å; M1-M4 WeakPolarHBondContact O-CG 3.44Å; M1-M4 PolarHBondContact O-N 2.84Å; M1-M4 HydrophobicContact SD-SD 3.58Å; D2-M4 VanDerWaalsContact C-N 3.28Å; D2-M4 PolarHBondContact O-N 2.72Å; M4-M450 HydrophobicContact CB-CE 3.66Å; M4-M450 HydrophobicContact CE-CE 3.17Å; M4-M450 HydrophobicContact CG-CE 4.34Å; M4-M450 HydrophobicContact SD-CE 4.13Å
5	Y	56.1	Low	43.8	Very low	24 Å²	24	92.4 Å²	92.4	9%	0.094	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-122.1	12.5	-177.8	-29.4	-102.9	0	0	0	113.4	W3 G7 D401 H402 F403 K433 L436 M450	W3-Y5 PolarHBondContact O-N 2.74Å; Y5-G7 PolarHBondContact O-N 2.98Å; Y5-G7 VanDerWaalsContact O-N 3.11Å; Y5-D401 WeakPolarHBondContact CD2-O 3.42Å; Y5-D401 WeakPolarHBondContact CE2-O 3.46Å; Y5-D401 VanDerWaalsContact CG-O 3.3Å; Y5-H402 VanDerWaalsContact CB-C 3.41Å; Y5-H402 VanDerWaalsContact CB-CB 3.41Å; Y5-H402 WeakPolarHBondContact CB-O 3.12Å; Y5-H402 HydrophobicContact CD2-CB 4.01Å; Y5-H402 HydrophobicContact CG-CB 4.14Å; Y5-F403 AromaticContact CD1-CD1 3.42Å; Y5-F403 HydrophobicContact CD1-CD1 3.42Å; Y5-F403 VanDerWaalsContact CD1-CD1 3.42Å; Y5-F403 AromaticContact CD1-CE1 3.36Å; Y5-F403 HydrophobicContact CD1-CE1 3.36Å; Y5-F403 HydrophobicContact CD1-CZ 4.48Å; Y5-F403 HydrophobicContact CD2-CD1 4.47Å; Y5-F403 HydrophobicContact CD2-CE1 4.49Å; Y5-F403 AromaticContact CE1-CD1 3.51Å; Y5-F403 HydrophobicContact CE1-CD1 3.51Å; Y5-F403 AromaticContact CE1-CE1 2.9Å; Y5-F403 HydrophobicContact CE1-CE1 2.9Å; Y5-F403 AromaticContact CE1-CZ 3.74Å; Y5-F403 HydrophobicContact CE1-CZ 3.74Å; Y5-F403 HydrophobicContact CE2-CD1 4.5Å; Y5-F403 HydrophobicContact CE2-CE1 4.12Å; Y5-F403 HydrophobicContact CE2-CZ 4.46Å; Y5-F403 AromaticContact CG-CD1 3.92Å; Y5-F403 HydrophobicContact CG-CD1 3.92Å; Y5-F403 HydrophobicContact CG-CE1 4.14Å; Y5-F403 AromaticContact CZ-CE1 3.3Å; Y5-F403 AromaticContact CZ-CZ 3.67Å; Y5-K433 PolarHBondContact OH-O 3.03Å; Y5-L436 HydrophobicContact CD1-CD2 4.34Å; Y5-M450 HydrophobicContact CD1-CE 3.66Å; Y5-M450 HydrophobicContact CD1-SD 3.75Å; Y5-M450 HydrophobicContact CE1-CE 3.04Å; Y5-M450 HydrophobicContact CE1-SD 3.24Å; Y5-M450 WeakPolarHBondContact CE1-SD 3.47Å; Y5-M450 HydrophobicContact CE2-CE 4.21Å; Y5-M450 HydrophobicContact CG-CE 4.42Å; Y5-M450 VanDerWaalsContact CZ-CE 3.43Å
6	A	44.3	Very low	44.7	Very low	26 Å²	26	91.2 Å²	91.2	22%	0.215	47%	0.473	C	S	.	.			trans	-58.3	116.3	175.6	0	0	0	0	0	111.5	W3	W3-A6 PolarHBondContact O-N 2.93Å; W3-A6 VanDerWaalsContact O-N 3.13Å
7	G	38.6	Very low	45.6	Very low	45 Å²	45	94.9 Å²	94.9	46%	0.464	49%	0.485	S	S	.	.			trans	-71.5	164.4	165.3	0	0	0	0	0	111.5	Y5 S9	Y5-G7 PolarHBondContact O-N 2.98Å; Y5-G7 VanDerWaalsContact O-N 3.11Å; G7-S9 PolarHBondContact O-N 2.72Å
8	L	36	Very low	46	Very low	109 Å²	109	97.2 Å²	97.2	57%	0.571	50%	0.498	S	S	*	.	S	Bend	trans	-54.8	8.7	-169.6	-76.7	106.7	0	0	0	117.8	E530	L8-E530 HydrophobicContact CD2-CB 4.49Å; L8-E530 HydrophobicContact CD2-CG 4.22Å
9	S	37.1	Very low	47.2	Very low	83 Å²	83	96.9 Å²	96.9	58%	0.58	50%	0.501	S	S	*	.			trans	-147.1	49.9	-172.1	-49.2	0	0	0	0	113.7	G7 K406	G7-S9 PolarHBondContact O-N 2.72Å; S9-K406 PolarHBondContact O-NZ 3.23Å
10	S	38.2	Very low	47.2	Very low	54 Å²	54	95.5 Å²	95.5	38%	0.378	51%	0.511	S	S	.	.			trans	-101.1	59.5	169.7	48.2	0	0	0	0	111.2	I12 H528	S10-I12 PolarHBondContact O-N 2.92Å; S10-H528 PolarHBondContact OG-CD2 3.43Å
11	E	41	Very low	47.3	Very low	181 Å²	181	99.7 Å²	99.7	85%	0.846	52%	0.52	S	S	*	.			trans	-80.1	107.5	164.3	-77.6	175.7	161.8	0	0	108.4
12	I	44	Very low	47.5	Very low	150 Å²	150	104.3 Å²	104.3	77%	0.769	54%	0.536	S	S	*	.			trans	64.3	103	161.9	-51.3	168.4	0	0	0	114.8	S10 R14	S10-I12 PolarHBondContact O-N 2.92Å; I12-R14 PolarHBondContact O-N 3.19Å
13	D	49.5	Very low	47.8	Very low	90 Å²	90	104 Å²	104	48%	0.481	54%	0.538	S	S	.	.			trans	-69.4	111.4	172.2	-173.3	-1.4	0	0	0	111.2	E15 N16 F17	D13-E15 PolarHBondContact O-N 3.04Å; D13-E15 PolarHBondContact OD1-N 3.26Å; D13-E15 VanDerWaalsContact OD1-N 3.11Å; D13-N16 HydrophobicContact CB-CB 4.42Å; D13-N16 PolarHBondContact O-N 3.09Å; D13-N16 PolarHBondContact OD2-ND2 2.88Å; D13-N16 VanDerWaalsContact OD2-ND2 3.16Å; D13-F17 PolarHBondContact O-N 3.3Å
14	R	45.1	Very low	47.6	Very low	210 Å²	210	106 Å²	106	79%	0.792	55%	0.552	S	S	*	*	H	α-helix	trans	-59.3	-29.1	-178.4	-135.2	177.8	-170.9	172.8	2.2	112.4	I12 L18	I12-R14 PolarHBondContact O-N 3.19Å; R14-L18 WeakPolarHBondContact O-CG 3.26Å; R14-L18 PolarHBondContact O-N 2.84Å
15	E	53.2	Low	47.6	Very low	141 Å²	141	113.4 Å²	113.4	66%	0.659	58%	0.584	S	S	*	*	H	α-helix	trans	-73.1	-35.7	178.9	-70.3	-164.2	168.2	0	0	112.1	D13 F17 L18 T19	D13-E15 PolarHBondContact O-N 3.04Å; D13-E15 PolarHBondContact OD1-N 3.26Å; D13-E15 VanDerWaalsContact OD1-N 3.11Å; E15-F17 VanDerWaalsContact C-N 3.33Å; E15-F17 PolarHBondContact O-N 3.33Å; E15-L18 PolarHBondContact O-N 3.45Å; E15-T19 WeakPolarHBondContact O-CB 3.22Å; E15-T19 VanDerWaalsContact O-CG2 3.3Å; E15-T19 WeakPolarHBondContact O-CG2 3.44Å; E15-T19 PolarHBondContact O-N 2.99Å; E15-T19 PolarHBondContact O-OG1 2.83Å
16	N	58.9	Low	47	Very low	73 Å²	73	116.7 Å²	116.7	39%	0.39	60%	0.603	S	S	.	*	H	α-helix	trans	-66.8	-35.4	176.5	-73.5	-38.9	0	0	0	112.1	D13 T19	D13-N16 HydrophobicContact CB-CB 4.42Å; D13-N16 PolarHBondContact O-N 3.09Å; D13-N16 PolarHBondContact OD2-ND2 2.88Å; D13-N16 VanDerWaalsContact OD2-ND2 3.16Å; N16-T19 PolarHBondContact O-OG1 3.04Å
17	F	59	Low	47.1	Very low	154 Å²	154	122.3 Å²	122.3	68%	0.675	62%	0.623	S	S	*	*	H	α-helix	trans	-65.7	-39.9	172.9	-176.2	-98.2	0	0	0	112.4	D13 E15	D13-F17 PolarHBondContact O-N 3.3Å; E15-F17 VanDerWaalsContact C-N 3.33Å; E15-F17 PolarHBondContact O-N 3.33Å
18	L	53.5	Low	47.3	Very low	137 Å²	137	126.8 Å²	126.8	72%	0.717	63%	0.632	S	S	*	*	H	α-helix	trans	-76.4	-29.1	-178.8	-70.7	171.2	0	0	0	113.5	R14 E15	R14-L18 WeakPolarHBondContact O-CG 3.26Å; R14-L18 PolarHBondContact O-N 2.84Å; E15-L18 PolarHBondContact O-N 3.45Å
19	T	69.2	Low	47.7	Very low	92 Å²	92	128.2 Å²	128.2	56%	0.564	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-0.2	-176.6	54.1	0	0	0	0	114.2	E15 N16 R21	E15-T19 WeakPolarHBondContact O-CB 3.22Å; E15-T19 VanDerWaalsContact O-CG2 3.3Å; E15-T19 WeakPolarHBondContact O-CG2 3.44Å; E15-T19 PolarHBondContact O-N 2.99Å; E15-T19 PolarHBondContact O-OG1 2.83Å; N16-T19 PolarHBondContact O-OG1 3.04Å; T19-R21 PolarHBondContact O-N 3.42Å
20	G	47.1	Very low	48	Very low	67 Å²	67	132.2 Å²	132.2	69%	0.691	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.9	18.2	173.9	0	0	0	0	0	114.7
21	R	49.7	Very low	48.2	Very low	185 Å²	185	134.6 Å²	134.6	70%	0.698	65%	0.648	S	S	*	*			trans	-68.7	143.7	169.5	-72.2	-172	178	-163.6	0.8	109.3	T19 V23	T19-R21 PolarHBondContact O-N 3.42Å; R21-V23 PolarHBondContact O-N 3.04Å
22	K	46	Very low	48	Very low	216 Å²	216	131.5 Å²	131.5	94%	0.939	63%	0.633	S	S	*	*			trans	-52	109.3	-177.2	-72.7	-173.6	176.4	-175.4	0	110.2
23	V	44.7	Very low	47.9	Very low	87 Å²	87	130.1 Å²	130.1	53%	0.527	63%	0.627	S	S	.	*			trans	-71.7	145	166.8	-179.4	0	0	0	0	107.3	R21	R21-V23 PolarHBondContact O-N 3.04Å
24	D	46.3	Very low	47.8	Very low	91 Å²	91	132.5 Å²	132.5	49%	0.487	63%	0.634	S	S	.	*			trans	-42	141.8	-171	-167.8	6.6	0	0	0	114.6	N26 F27	D24-N26 PolarHBondContact O-N 3.31Å; D24-N26 VanDerWaalsContact O-N 3.09Å; D24-F27 WeakPolarHBondContact O-CB 3.49Å; D24-F27 PolarHBondContact O-N 2.76Å
25	K	41	Very low	47.4	Very low	167 Å²	167	129.6 Å²	129.6	73%	0.726	63%	0.627	S	S	*	*	H	α-helix	trans	-58.6	-23.3	-178.3	-70.5	-177.6	177.4	-179.7	0	112.9	F27 E28 Q29	K25-F27 PolarHBondContact O-N 3.02Å; K25-E28 PolarHBondContact O-N 3.44Å; K25-E28 VanDerWaalsContact O-N 3.12Å; K25-Q29 PolarHBondContact O-N 3.18Å
26	N	44.9	Very low	46.4	Very low	93 Å²	93	131.2 Å²	131.2	50%	0.497	63%	0.632	S	S	.	*	H	α-helix	trans	-59.7	-31.4	173.5	-79.2	28.5	0	0	0	112	D24 Q29 Y30	D24-N26 PolarHBondContact O-N 3.31Å; D24-N26 VanDerWaalsContact O-N 3.09Å; N26-Q29 PolarHBondContact O-N 3.23Å; N26-Y30 VanDerWaalsContact O-CD2 3.27Å; N26-Y30 WeakPolarHBondContact O-CD2 3.36Å; N26-Y30 PolarHBondContact O-N 2.87Å
27	F	45.4	Very low	45.3	Very low	143 Å²	143	134.2 Å²	134.2	63%	0.627	65%	0.653	S	S	*	*	H	α-helix	trans	-68.8	-33.4	176	-170.6	-98.1	0	0	0	112.8	D24 K25	D24-F27 WeakPolarHBondContact O-CB 3.49Å; D24-F27 PolarHBondContact O-N 2.76Å; K25-F27 PolarHBondContact O-N 3.02Å
28	E	43.1	Very low	44.5	Very low	140 Å²	140	131.1 Å²	131.1	65%	0.654	65%	0.648	S	S	*	*	H	α-helix	trans	-73.5	-34.9	176.1	-69.9	-174.5	163.1	0	0	111.9	K25 Y30 N31	K25-E28 PolarHBondContact O-N 3.44Å; K25-E28 VanDerWaalsContact O-N 3.12Å; E28-Y30 VanDerWaalsContact C-N 3.31Å; E28-Y30 PolarHBondContact O-N 3.4Å; E28-N31 PolarHBondContact O-N 2.92Å; E28-N31 VanDerWaalsContact O-N 3.09Å
29	Q	44.1	Very low	43.9	Very low	138 Å²	138	129 Å²	129	65%	0.645	64%	0.642	S	S	*	*	H	α-helix	trans	-65.1	-35.4	177.9	-124.3	175.2	-3.9	0	0	112.4	K25 N26 N31 E32	K25-Q29 PolarHBondContact O-N 3.18Å; N26-Q29 PolarHBondContact O-N 3.23Å; Q29-N31 PolarHBondContact O-N 2.83Å; Q29-E32 PolarHBondContact O-N 3.29Å
30	Y	43.5	Very low	42.4	Very low	167 Å²	167	135.3 Å²	135.3	66%	0.655	66%	0.656	S	S	*	*	H	α-helix	trans	-60.4	-27	173.2	-91.5	-76.5	0	0	0	113.2	N26 E28 F34	N26-Y30 VanDerWaalsContact O-CD2 3.27Å; N26-Y30 WeakPolarHBondContact O-CD2 3.36Å; N26-Y30 PolarHBondContact O-N 2.87Å; E28-Y30 VanDerWaalsContact C-N 3.31Å; E28-Y30 PolarHBondContact O-N 3.4Å; Y30-F34 WeakPolarHBondContact O-CD2 3.41Å; Y30-F34 WeakPolarHBondContact O-CE2 3.47Å
31	N	42.8	Very low	42.5	Very low	104 Å²	104	133.2 Å²	133.2	56%	0.556	63%	0.629	S	S	*	*	H	α-helix	trans	-81.1	-26.5	-179.2	-99.7	-21.2	0	0	0	113.9	E28 Q29 F34	E28-N31 PolarHBondContact O-N 2.92Å; E28-N31 VanDerWaalsContact O-N 3.09Å; Q29-N31 PolarHBondContact O-N 2.83Å; N31-F34 PolarHBondContact O-N 3Å
32	E	37.9	Very low	42.4	Very low	117 Å²	117	131.5 Å²	131.5	55%	0.547	63%	0.629	S	S	.	*	H	α-helix	trans	-73.3	-30.5	179.9	-80.2	-70.9	141.7	0	0	112.4	Q29 F34 K35	Q29-E32 PolarHBondContact O-N 3.29Å; E32-F34 PolarHBondContact O-N 3.46Å; E32-F34 VanDerWaalsContact O-N 3.16Å; E32-K35 VanDerWaalsContact CD-NZ 3.34Å; E32-K35 PolarHBondContact O-N 2.93Å; E32-K35 IonicContact OE1-NZ 3.81Å; E32-K35 PolarHBondContact OE1-NZ 3.34Å; E32-K35 IonicContact OE2-NZ 3.29Å; E32-K35 PolarHBondContact OE2-NZ 3.26Å; E32-K35 VanDerWaalsContact OE2-NZ 3.15Å
33	D	41.8	Very low	42.7	Very low	121 Å²	121	124.7 Å²	124.7	65%	0.647	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-64.5	-18.2	175	-79.1	-28.1	0	0	0	113.2	K35	D33-K35 VanDerWaalsContact C-N 3.29Å; D33-K35 PolarHBondContact O-N 2.83Å
34	F	45.9	Very low	42.9	Very low	140 Å²	140	124.5 Å²	124.5	61%	0.614	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-79.8	-0.5	177.6	-72.4	-81.1	0	0	0	114.8	Y30 N31 E32 K36	Y30-F34 WeakPolarHBondContact O-CD2 3.41Å; Y30-F34 WeakPolarHBondContact O-CE2 3.47Å; N31-F34 PolarHBondContact O-N 3Å; E32-F34 PolarHBondContact O-N 3.46Å; E32-F34 VanDerWaalsContact O-N 3.16Å; F34-K36 VanDerWaalsContact C-N 3.27Å; F34-K36 PolarHBondContact O-N 2.89Å
35	K	36.8	Very low	42.9	Very low	149 Å²	149	123.7 Å²	123.7	65%	0.648	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-80.6	-1.2	173.4	-74.2	178	-175.2	155.8	0	114.1	E32 D33	E32-K35 VanDerWaalsContact CD-NZ 3.34Å; E32-K35 PolarHBondContact O-N 2.93Å; E32-K35 IonicContact OE1-NZ 3.81Å; E32-K35 PolarHBondContact OE1-NZ 3.34Å; E32-K35 IonicContact OE2-NZ 3.29Å; E32-K35 PolarHBondContact OE2-NZ 3.26Å; E32-K35 VanDerWaalsContact OE2-NZ 3.15Å; D33-K35 VanDerWaalsContact C-N 3.29Å; D33-K35 PolarHBondContact O-N 2.83Å
36	K	33.6	Very low	42.6	Very low	174 Å²	174	123.5 Å²	123.5	76%	0.757	61%	0.607	S	S	*	*	S	Bend	trans	-84.8	120.9	173.2	-73.2	179.6	-178.1	168.2	0	111	F34	F34-K36 VanDerWaalsContact C-N 3.27Å; F34-K36 PolarHBondContact O-N 2.89Å
37	T	35.8	Very low	42.3	Very low	137 Å²	137	124.8 Å²	124.8	84%	0.84	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-59.3	120.8	-179.4	-36.3	0	0	0	0	111
38	P	41.1	Very low	41.9	Very low	89 Å²	89	122.1 Å²	122.1	58%	0.578	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-70.3	148.4	-175.8	24.9	-32	0	0	0	112.5
39	P	40.6	Very low	41.6	Very low	91 Å²	91	121.5 Å²	121.5	59%	0.591	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-66.7	143.7	-179	25.8	-31.9	0	0	0	112.5	I41	P39-I41 PolarHBondContact O-N 2.9Å
40	R	39.3	Very low	41.2	Very low	226 Å²	226	119.5 Å²	119.5	85%	0.853	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-63.3	117.7	-173.5	-152.6	176.3	-171.4	167.8	2.1	111.2	E42	R40-E42 PolarHBondContact O-N 2.91Å
41	I	48.1	Very low	40.8	Very low	22 Å²	22	119.7 Å²	119.7	11%	0.113	64%	0.643	C	S	.	*			trans	-86.5	97.3	176.9	-58.7	-179.3	0	0	0	109.7	P39 S43 L44 V79 E82	P39-I41 PolarHBondContact O-N 2.9Å; I41-S43 VanDerWaalsContact C-N 3.26Å; I41-S43 WeakPolarHBondContact CG2-OG 3.05Å; I41-S43 PolarHBondContact O-N 3.47Å; I41-L44 HydrophobicContact CB-CD1 4.36Å; I41-L44 HydrophobicContact CG2-CD1 4.12Å; I41-L44 HydrophobicContact CG2-CG 4.18Å; I41-L44 PolarHBondContact O-N 3.39Å; I41-V79 HydrophobicContact CD1-CG1 3.96Å; I41-E82 HydrophobicContact CD1-CB 4.15Å; I41-E82 HydrophobicContact CD1-CG 4.33Å
42	E	48.4	Very low	40.3	Very low	150 Å²	150	126.7 Å²	126.7	70%	0.701	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-65.1	-21.3	177.3	-78.2	179.9	163.2	0	0	114	R40 L44 S45	R40-E42 PolarHBondContact O-N 2.91Å; E42-L44 VanDerWaalsContact C-N 3.25Å; E42-L44 PolarHBondContact O-N 3.22Å; E42-S45 VanDerWaalsContact O-CB 3.25Å; E42-S45 WeakPolarHBondContact O-CB 3.48Å; E42-S45 PolarHBondContact O-N 3.17Å; E42-S45 PolarHBondContact O-OG 2.91Å
43	S	51.6	Low	40.4	Very low	72 Å²	72	130.7 Å²	130.7	50%	0.503	68%	0.678	S	S	.	*	G	3₁₀ helix	trans	-70.6	-17.4	-179.8	52.2	0	0	0	0	114.2	I41 S45	I41-S43 VanDerWaalsContact C-N 3.26Å; I41-S43 WeakPolarHBondContact CG2-OG 3.05Å; I41-S43 PolarHBondContact O-N 3.47Å; S43-S45 VanDerWaalsContact C-N 3.27Å
44	L	48	Very low	40.2	Very low	84 Å²	84	129.2 Å²	129.2	44%	0.44	68%	0.683	S	S	.	*	G	3₁₀ helix	trans	-83.5	-4.5	170.9	-71.6	165.7	0	0	0	112.6	I41 E42 V79	I41-L44 HydrophobicContact CB-CD1 4.36Å; I41-L44 HydrophobicContact CG2-CD1 4.12Å; I41-L44 HydrophobicContact CG2-CG 4.18Å; I41-L44 PolarHBondContact O-N 3.39Å; E42-L44 VanDerWaalsContact C-N 3.25Å; E42-L44 PolarHBondContact O-N 3.22Å; L44-V79 HydrophobicContact CD1-CG2 3.9Å
45	S	46.8	Very low	39.8	Very low	74 Å²	74	130.7 Å²	130.7	52%	0.517	70%	0.697	S	S	.	*	S	Bend	trans	-94.7	-14.9	-174.3	79.8	0	0	0	0	114.4	E42 S43 P47	E42-S45 VanDerWaalsContact O-CB 3.25Å; E42-S45 WeakPolarHBondContact O-CB 3.48Å; E42-S45 PolarHBondContact O-N 3.17Å; E42-S45 PolarHBondContact O-OG 2.91Å; S43-S45 VanDerWaalsContact C-N 3.27Å; S45-P47 VanDerWaalsContact O-CD 3.27Å; S45-P47 WeakPolarHBondContact O-CD 3.41Å
46	Q	35.9	Very low	39.8	Very low	162 Å²	162	127.6 Å²	127.6	76%	0.757	70%	0.7	S	S	*	*	S	Bend	trans	-92.7	110.3	178.5	-66.6	-167.4	-3.2	0	0	109.8	A48	Q46-A48 PolarHBondContact O-N 3.48Å
47	P	37.3	Very low	39.9	Very low	121 Å²	121	125.3 Å²	125.3	79%	0.786	70%	0.702	S	S	*	*			trans	-59.7	125.7	171.3	23.5	-30.1	0	0	0	108.3	S45 S49	S45-P47 VanDerWaalsContact O-CD 3.27Å; S45-P47 WeakPolarHBondContact O-CD 3.41Å; P47-S49 PolarHBondContact O-N 3.01Å
48	A	38.7	Very low	39.9	Very low	86 Å²	86	123.5 Å²	123.5	71%	0.711	69%	0.694	S	S	*	*			trans	-50.7	115.1	176.6	0	0	0	0	0	109.4	Q46 S50	Q46-A48 PolarHBondContact O-N 3.48Å; A48-S50 VanDerWaalsContact C-N 3.35Å; A48-S50 PolarHBondContact O-N 2.93Å; A48-S50 PolarHBondContact O-OG 3.28Å
49	S	35	Very low	39.8	Very low	128 Å²	128	129.1 Å²	129.1	90%	0.895	71%	0.71	S	S	*	*			trans	-54.5	95.5	177	-177.4	0	0	0	0	109.8	P47	P47-S49 PolarHBondContact O-N 3.01Å
50	S	36.7	Very low	40	Very low	96 Å²	96	133 Å²	133	67%	0.671	72%	0.717	S	S	*	*			trans	-127.7	98.1	174	-54.5	0	0	0	0	106.7	A48	A48-S50 VanDerWaalsContact C-N 3.35Å; A48-S50 PolarHBondContact O-N 2.93Å; A48-S50 PolarHBondContact O-OG 3.28Å
51	H	35.4	Very low	40.2	Very low	170 Å²	170	128.3 Å²	128.3	79%	0.787	71%	0.714	S	S	*	*			trans	35.4	110.9	158.2	-72.7	-76.4	0	0	0	118.9	F53	H51-F53 PolarHBondContact O-N 3.11Å
52	R	32.6	Very low	40.1	Very low	251 Å²	251	135.6 Å²	135.6	95%	0.947	75%	0.752	S	S	*	*			trans	-25.4	98.8	159.5	-57	-179.2	-167.5	-167.5	2.6	113
53	F	38.4	Very low	40	Very low	201 Å²	201	134 Å²	134	88%	0.882	75%	0.748	S	S	*	*			trans	-115.4	115.8	149.5	-89.2	-83.8	0	0	0	107.5	H51	H51-F53 PolarHBondContact O-N 3.11Å
54	A	37.8	Very low	40.4	Very low	91 Å²	91	135 Å²	135	75%	0.752	75%	0.747	S	S	*	*			trans	-56.3	138.8	-174.5	0	0	0	0	0	113.3	A56	A54-A56 PolarHBondContact O-N 3.04Å
55	D	37.8	Very low	40.9	Very low	170 Å²	170	137.2 Å²	137.2	91%	0.909	76%	0.759	S	S	*	*			trans	-2.4	98.6	158.7	-58.6	-39.9	0	0	0	117.1
56	A	36.7	Very low	41.5	Very low	85 Å²	85	136.9 Å²	136.9	70%	0.702	75%	0.751	S	S	*	*			trans	-132.9	123.5	151.4	0	0	0	0	0	108.7	A54 C58	A54-A56 PolarHBondContact O-N 3.04Å; A56-C58 PolarHBondContact O-N 3.38Å
57	P	36	Very low	42.8	Very low	125 Å²	125	131.3 Å²	131.3	81%	0.812	73%	0.728	S	S	*	*			trans	-76.8	94.6	-169.1	30.4	-32.8	0	0	0	109.9	K59	P57-K59 PolarHBondContact O-N 2.98Å
58	C	35.8	Very low	44.2	Very low	100 Å²	100	128.8 Å²	128.8	68%	0.676	71%	0.711	S	S	*	*			trans	-75.8	94.4	169.8	-157.5	0	0	0	0	108.5	A56 K60	A56-C58 PolarHBondContact O-N 3.38Å; C58-K60 PolarHBondContact O-N 2.98Å
59	K	37.9	Very low	45.3	Very low	206 Å²	206	130.4 Å²	130.4	90%	0.896	70%	0.698	S	S	*	*			trans	-64.9	78.8	167	-67.4	-177.4	178.9	-177.6	0	109.4	P57	P57-K59 PolarHBondContact O-N 2.98Å
60	K	46.4	Very low	46.8	Very low	174 Å²	174	132.9 Å²	132.9	76%	0.757	69%	0.693	S	S	*	*			trans	-95.7	125.5	161	-77.2	180	-178.9	175.6	0	107.6	C58 L62	C58-K60 PolarHBondContact O-N 2.98Å; K60-L62 PolarHBondContact O-N 3.3Å
61	T	43.7	Very low	48.4	Very low	127 Å²	127	135.3 Å²	135.3	78%	0.779	69%	0.694	S	S	*	*			trans	-17.4	116.7	172.7	46.2	0	0	0	0	114.8	L63	T61-L63 PolarHBondContact O-N 2.63Å
62	L	44.6	Very low	50.4	Low	174 Å²	174	130.1 Å²	130.1	91%	0.911	67%	0.672	S	S	*	*			trans	-66.8	59.2	175.1	-171.9	96.1	0	0	0	111.5	K60 D64	K60-L62 PolarHBondContact O-N 3.3Å; L62-D64 PolarHBondContact O-N 3.29Å
63	L	46.5	Very low	52.5	Low	117 Å²	117	122.3 Å²	122.3	61%	0.613	65%	0.653	S	S	*	*			trans	-74.2	116.5	150.8	-83.7	156.5	0	0	0	104.6	T61 L65 V68	T61-L63 PolarHBondContact O-N 2.63Å; L63-L65 PolarHBondContact O-N 2.98Å; L63-V68 HydrophobicContact CB-CG2 4.15Å
64	D	59.8	Low	54.3	Low	93 Å²	93	118.9 Å²	118.9	50%	0.497	64%	0.644	S	S	.	*			trans	-49.4	131.9	-178.7	-170.1	0.6	0	0	0	108.7	L62 D66 T67 V68	L62-D64 PolarHBondContact O-N 3.29Å; D64-D66 PolarHBondContact O-N 3.04Å; D64-D66 PolarHBondContact OD1-N 3.15Å; D64-T67 WeakPolarHBondContact O-CB 3.41Å; D64-T67 PolarHBondContact O-N 2.91Å; D64-V68 PolarHBondContact O-N 2.75Å
65	L	59.4	Low	56.3	Low	130 Å²	130	116.5 Å²	116.5	68%	0.681	62%	0.62	S	S	*	*	H	α-helix	trans	-57.2	-21.9	-179.9	-78.9	163.8	0	0	0	111	L63 R69	L63-L65 PolarHBondContact O-N 2.98Å; L65-R69 WeakPolarHBondContact O-CB 3.44Å; L65-R69 WeakPolarHBondContact O-CG 3.38Å; L65-R69 PolarHBondContact O-N 3.48Å; L65-R69 PolarHBondContact O-NE 2.9Å
66	D	59.9	Low	58	Low	67 Å²	67	111 Å²	111	36%	0.358	60%	0.595	S	S	.	*	H	α-helix	trans	-74.4	-35.3	172.8	-73	-9.7	0	0	0	113	D64 R69 K70	D64-D66 PolarHBondContact O-N 3.04Å; D64-D66 PolarHBondContact OD1-N 3.15Å; D66-R69 PolarHBondContact O-N 3.45Å; D66-R69 IonicContact OD1-CZ 3.71Å; D66-R69 IonicContact OD1-NE 3.74Å; D66-R69 IonicContact OD1-NH1 2.76Å; D66-R69 PolarHBondContact OD1-NH1 3.38Å; D66-R69 IonicContact OD1-NH2 3.77Å; D66-R69 PolarHBondContact OD1-NH2 3.46Å; D66-K70 WeakPolarHBondContact O-CG 3.36Å; D66-K70 PolarHBondContact O-N 3.28Å
67	T	63.5	Low	59.9	Low	45 Å²	45	111.7 Å²	111.7	28%	0.276	59%	0.585	S	S	.	*	H	α-helix	trans	-69.1	-46.9	176.6	-44.3	0	0	0	0	111	D64 R69 K70 E71	D64-T67 WeakPolarHBondContact O-CB 3.41Å; D64-T67 PolarHBondContact O-N 2.91Å; T67-R69 PolarHBondContact O-N 2.86Å; T67-K70 PolarHBondContact O-N 3.25Å; T67-K70 VanDerWaalsContact O-N 3.11Å; T67-E71 HydrophobicContact CG2-CG 4.36Å; T67-E71 WeakPolarHBondContact O-CB 3.47Å; T67-E71 PolarHBondContact O-N 2.92Å
68	V	64.8	Low	62	Low	68 Å²	68	111.2 Å²	111.2	41%	0.412	57%	0.571	S	S	.	*	H	α-helix	trans	-59.2	-37.1	174.7	-179.6	0	0	0	0	110.4	L63 D64 D72	L63-V68 HydrophobicContact CB-CG2 4.15Å; D64-V68 PolarHBondContact O-N 2.75Å; V68-D72 HydrophobicContact CG1-CB 4.45Å; V68-D72 WeakPolarHBondContact O-CB 3.42Å; V68-D72 PolarHBondContact O-N 3.46Å
69	R	62.8	Low	64.2	Low	120 Å²	120	108.4 Å²	108.4	45%	0.453	55%	0.55	S	S	.	*	H	α-helix	trans	-67.2	-35.6	176.4	-91.6	-178.5	-85	162.6	-4	114.1	L65 D66 T67 V75	L65-R69 WeakPolarHBondContact O-CB 3.44Å; L65-R69 WeakPolarHBondContact O-CG 3.38Å; L65-R69 PolarHBondContact O-N 3.48Å; L65-R69 PolarHBondContact O-NE 2.9Å; D66-R69 PolarHBondContact O-N 3.45Å; D66-R69 IonicContact OD1-CZ 3.71Å; D66-R69 IonicContact OD1-NE 3.74Å; D66-R69 IonicContact OD1-NH1 2.76Å; D66-R69 PolarHBondContact OD1-NH1 3.38Å; D66-R69 IonicContact OD1-NH2 3.77Å; D66-R69 PolarHBondContact OD1-NH2 3.46Å; T67-R69 PolarHBondContact O-N 2.86Å; R69-V75 HydrophobicContact CB-CG1 4.43Å; R69-V75 HydrophobicContact CG-CG1 4.16Å; R69-V75 WeakPolarHBondContact O-CG1 3.49Å
70	K	65.8	Low	66	Low	181 Å²	181	104.1 Å²	104.1	79%	0.787	53%	0.533	S	S	*	.	H	α-helix	trans	-80	-34.9	179.6	-75.6	-178.9	-179.2	177.9	0	112.8	D66 T67	D66-K70 WeakPolarHBondContact O-CG 3.36Å; D66-K70 PolarHBondContact O-N 3.28Å; T67-K70 PolarHBondContact O-N 3.25Å; T67-K70 VanDerWaalsContact O-N 3.11Å
71	E	70.5	Confident	67.3	Low	147 Å²	147	100.4 Å²	100.4	69%	0.687	52%	0.519	S	S	*	.	H	α-helix	trans	-100.1	-17.3	-170.7	-64.8	-177.4	-177.3	0	0	114	T67 P73	T67-E71 HydrophobicContact CG2-CG 4.36Å; T67-E71 WeakPolarHBondContact O-CB 3.47Å; T67-E71 PolarHBondContact O-N 2.92Å; E71-P73 WeakPolarHBondContact O-CD 3.22Å
72	D	77.6	Confident	68.9	Low	61 Å²	61	97.2 Å²	97.2	33%	0.326	50%	0.495	S	S	.	.			trans	-76.6	114.5	178.4	-173.1	-8.6	0	0	0	111.3	V68 L74 V75 S76	V68-D72 HydrophobicContact CG1-CB 4.45Å; V68-D72 WeakPolarHBondContact O-CB 3.42Å; V68-D72 PolarHBondContact O-N 3.46Å; D72-L74 PolarHBondContact O-N 2.87Å; D72-L74 WeakPolarHBondContact OD1-CB 3.25Å; D72-L74 PolarHBondContact OD1-N 3.17Å; D72-V75 HydrophobicContact CB-CB 4.13Å; D72-V75 HydrophobicContact CB-CG2 3.78Å; D72-V75 PolarHBondContact O-N 3.05Å; D72-S76 PolarHBondContact O-N 3.18Å
73	P	76.3	Confident	70.6	Confident	86 Å²	86	91.2 Å²	91.2	56%	0.558	46%	0.462	S	S	*	.	H	α-helix	trans	-59.7	-27.4	177.3	-21	33.7	0	0	0	113.2	E71 S76 I77	E71-P73 WeakPolarHBondContact O-CD 3.22Å; P73-S76 WeakPolarHBondContact CA-OG 3.27Å; P73-S76 PolarHBondContact O-OG 2.99Å; P73-I77 WeakPolarHBondContact O-CB 3.5Å; P73-I77 WeakPolarHBondContact O-CD1 3.49Å; P73-I77 WeakPolarHBondContact O-CG1 3.38Å; P73-I77 PolarHBondContact O-N 3.32Å; P73-I77 VanDerWaalsContact O-N 3.1Å
74	L	77.3	Confident	72.2	Confident	130 Å²	130	89.7 Å²	89.7	68%	0.681	46%	0.457	S	S	*	.	H	α-helix	trans	-70.8	-36	176.9	-118.9	76.8	0	0	0	111.6	D72 K78	D72-L74 PolarHBondContact O-N 2.87Å; D72-L74 WeakPolarHBondContact OD1-CB 3.25Å; D72-L74 PolarHBondContact OD1-N 3.17Å; L74-K78 WeakPolarHBondContact O-CB 3.34Å; L74-K78 PolarHBondContact O-N 3.37Å; L74-K78 VanDerWaalsContact O-N 3.08Å
75	V	78.8	Confident	73	Confident	40 Å²	40	91.4 Å²	91.4	24%	0.242	46%	0.457	C	S	.	.	H	α-helix	trans	-68.9	-43	177.1	176.4	0	0	0	0	110	R69 D72 K78 V79	R69-V75 HydrophobicContact CB-CG1 4.43Å; R69-V75 HydrophobicContact CG-CG1 4.16Å; R69-V75 WeakPolarHBondContact O-CG1 3.49Å; D72-V75 HydrophobicContact CB-CB 4.13Å; D72-V75 HydrophobicContact CB-CG2 3.78Å; D72-V75 PolarHBondContact O-N 3.05Å; V75-K78 PolarHBondContact O-N 3.28Å; V75-V79 HydrophobicContact CG1-CG2 4.37Å; V75-V79 VanDerWaalsContact O-CG2 3.32Å; V75-V79 WeakPolarHBondContact O-CG2 3.16Å; V75-V79 PolarHBondContact O-N 3.48Å
76	S	75	Confident	73.9	Confident	55 Å²	55	89.7 Å²	89.7	39%	0.385	44%	0.442	S	S	.	.	H	α-helix	trans	-64.5	-42.2	178.2	63.5	0	0	0	0	112.6	D72 P73 K78 V79 Q80	D72-S76 PolarHBondContact O-N 3.18Å; P73-S76 WeakPolarHBondContact CA-OG 3.27Å; P73-S76 PolarHBondContact O-OG 2.99Å; S76-K78 VanDerWaalsContact C-N 3.31Å; S76-K78 PolarHBondContact O-N 2.58Å; S76-V79 PolarHBondContact O-N 3.32Å; S76-Q80 WeakPolarHBondContact O-CG 3.13Å; S76-Q80 PolarHBondContact O-N 3.11Å
77	I	75.6	Confident	74.8	Confident	99 Å²	99	90.5 Å²	90.5	51%	0.508	45%	0.446	S	S	.	.	H	α-helix	trans	-58.2	-45.5	172.7	-70.3	165.7	0	0	0	110.5	P73 Q80 E81	P73-I77 WeakPolarHBondContact O-CB 3.5Å; P73-I77 WeakPolarHBondContact O-CD1 3.49Å; P73-I77 WeakPolarHBondContact O-CG1 3.38Å; P73-I77 PolarHBondContact O-N 3.32Å; P73-I77 VanDerWaalsContact O-N 3.1Å; I77-Q80 WeakPolarHBondContact O-CB 3.47Å; I77-Q80 PolarHBondContact O-N 3.43Å; I77-E81 PolarHBondContact O-N 3.39Å
78	K	79.7	Confident	75.4	Confident	116 Å²	116	92 Å²	92	50%	0.504	45%	0.452	S	S	.	.	H	α-helix	trans	-67	-38.6	-179.3	-171.2	161.7	-175.7	173.4	0	112.5	L74 V75 S76 Q80 E81 E82	L74-K78 WeakPolarHBondContact O-CB 3.34Å; L74-K78 PolarHBondContact O-N 3.37Å; L74-K78 VanDerWaalsContact O-N 3.08Å; V75-K78 PolarHBondContact O-N 3.28Å; S76-K78 VanDerWaalsContact C-N 3.31Å; S76-K78 PolarHBondContact O-N 2.58Å; K78-Q80 VanDerWaalsContact C-N 3.34Å; K78-E81 PolarHBondContact O-N 3.23Å; K78-E82 WeakPolarHBondContact O-CB 3.41Å; K78-E82 PolarHBondContact O-N 3.23Å
79	V	82.1	Confident	75.8	Confident	40 Å²	40	93.2 Å²	93.2	24%	0.242	46%	0.455	C	S	.	.	H	α-helix	trans	-61.9	-42.6	173.4	167.5	0	0	0	0	110.8	I41 L44 V75 S76 E82 Q83	I41-V79 HydrophobicContact CD1-CG1 3.96Å; L44-V79 HydrophobicContact CD1-CG2 3.9Å; V75-V79 HydrophobicContact CG1-CG2 4.37Å; V75-V79 VanDerWaalsContact O-CG2 3.32Å; V75-V79 WeakPolarHBondContact O-CG2 3.16Å; V75-V79 PolarHBondContact O-N 3.48Å; S76-V79 PolarHBondContact O-N 3.32Å; V79-E82 PolarHBondContact O-N 3.19Å; V79-Q83 WeakPolarHBondContact O-CB 3.32Å; V79-Q83 PolarHBondContact O-N 3.01Å
80	Q	75.2	Confident	76.5	Confident	116 Å²	116	94.9 Å²	94.9	54%	0.542	47%	0.468	S	S	.	.	H	α-helix	trans	-62.7	-44.7	174.1	-76.4	-179.3	-13.2	0	0	112	S76 I77 K78 E82 Q83 V84	S76-Q80 WeakPolarHBondContact O-CG 3.13Å; S76-Q80 PolarHBondContact O-N 3.11Å; I77-Q80 WeakPolarHBondContact O-CB 3.47Å; I77-Q80 PolarHBondContact O-N 3.43Å; K78-Q80 VanDerWaalsContact C-N 3.34Å; Q80-E82 VanDerWaalsContact C-N 3.3Å; Q80-E82 PolarHBondContact O-N 3.09Å; Q80-Q83 PolarHBondContact O-N 2.92Å; Q80-V84 WeakPolarHBondContact O-CG2 3.37Å; Q80-V84 PolarHBondContact O-N 3.47Å
81	E	75.7	Confident	77	Confident	96 Å²	96	89.4 Å²	89.4	45%	0.449	45%	0.447	S	S	.	.	H	α-helix	trans	-60.8	-40.1	177.5	-164.4	-172.2	163	0	0	111.6	I77 K78 R85	I77-E81 PolarHBondContact O-N 3.39Å; K78-E81 PolarHBondContact O-N 3.23Å; E81-R85 VanDerWaalsContact CD-NH1 3.28Å; E81-R85 WeakPolarHBondContact O-CB 3.35Å; E81-R85 WeakPolarHBondContact O-CG 3.27Å; E81-R85 PolarHBondContact O-N 3.16Å; E81-R85 IonicContact OE1-CZ 3Å; E81-R85 IonicContact OE1-NH1 2.75Å; E81-R85 PolarHBondContact OE1-NH1 3.1Å; E81-R85 IonicContact OE1-NH2 2.63Å; E81-R85 PolarHBondContact OE1-NH2 2.96Å
82	E	77.2	Confident	77.2	Confident	60 Å²	60	87.4 Å²	87.4	28%	0.28	45%	0.447	S	S	.	.	H	α-helix	trans	-68.3	-38.8	176.5	-154.3	83.8	-146.7	0	0	112	I41 K78 V79 Q80 R85 R86	I41-E82 HydrophobicContact CD1-CB 4.15Å; I41-E82 HydrophobicContact CD1-CG 4.33Å; K78-E82 WeakPolarHBondContact O-CB 3.41Å; K78-E82 PolarHBondContact O-N 3.23Å; V79-E82 PolarHBondContact O-N 3.19Å; Q80-E82 VanDerWaalsContact C-N 3.3Å; Q80-E82 PolarHBondContact O-N 3.09Å; E82-R85 WeakPolarHBondContact O-CB 3.1Å; E82-R85 PolarHBondContact O-N 3.42Å; E82-R86 PolarHBondContact O-N 3.31Å
83	Q	79	Confident	76.4	Confident	49 Å²	49	91.3 Å²	91.3	23%	0.229	47%	0.465	C	S	.	.	H	α-helix	trans	-66.5	-48.2	177	-173.1	61.4	42.4	0	0	111.4	V79 Q80 R85 R86 D87	V79-Q83 WeakPolarHBondContact O-CB 3.32Å; V79-Q83 PolarHBondContact O-N 3.01Å; Q80-Q83 PolarHBondContact O-N 2.92Å; Q83-R85 PolarHBondContact O-N 2.86Å; Q83-R86 WeakPolarHBondContact O-CA 2.98Å; Q83-R86 WeakPolarHBondContact O-CB 3.34Å; Q83-R86 PolarHBondContact O-N 3.45Å; Q83-D87 PolarHBondContact NE2-OD1 2.89Å; Q83-D87 VanDerWaalsContact O-CG 3.28Å; Q83-D87 PolarHBondContact O-N 3.29Å
84	V	79.5	Confident	76.1	Confident	84 Å²	84	93.2 Å²	93.2	51%	0.509	47%	0.465	S	S	.	.	H	α-helix	trans	-58.6	-39.7	175	171.9	0	0	0	0	110.7	Q80 D87 I88	Q80-V84 WeakPolarHBondContact O-CG2 3.37Å; Q80-V84 PolarHBondContact O-N 3.47Å; V84-D87 PolarHBondContact O-N 2.91Å; V84-I88 HydrophobicContact CG1-CD1 3.88Å; V84-I88 WeakPolarHBondContact O-CD1 3.48Å; V84-I88 VanDerWaalsContact O-CG1 3.24Å; V84-I88 WeakPolarHBondContact O-CG1 3.4Å; V84-I88 PolarHBondContact O-N 3.04Å; V84-I88 VanDerWaalsContact O-N 3.1Å
85	R	78.1	Confident	75.9	Confident	129 Å²	129	89.3 Å²	89.3	49%	0.487	44%	0.443	S	S	.	.	H	α-helix	trans	-60.2	-44.4	173.1	-85.7	-169.2	169.3	97.3	8.3	112.2	E81 E82 Q83 L89	E81-R85 VanDerWaalsContact CD-NH1 3.28Å; E81-R85 WeakPolarHBondContact O-CB 3.35Å; E81-R85 WeakPolarHBondContact O-CG 3.27Å; E81-R85 PolarHBondContact O-N 3.16Å; E81-R85 IonicContact OE1-CZ 3Å; E81-R85 IonicContact OE1-NH1 2.75Å; E81-R85 PolarHBondContact OE1-NH1 3.1Å; E81-R85 IonicContact OE1-NH2 2.63Å; E81-R85 PolarHBondContact OE1-NH2 2.96Å; E82-R85 WeakPolarHBondContact O-CB 3.1Å; E82-R85 PolarHBondContact O-N 3.42Å; Q83-R85 PolarHBondContact O-N 2.86Å; R85-L89 WeakPolarHBondContact O-CB 3.39Å; R85-L89 WeakPolarHBondContact O-CD1 3.42Å; R85-L89 VanDerWaalsContact O-CG 3.24Å; R85-L89 WeakPolarHBondContact O-CG 3.49Å; R85-L89 PolarHBondContact O-N 3.08Å
86	R	78.7	Confident	75.6	Confident	95 Å²	95	92 Å²	92	36%	0.358	45%	0.452	S	S	.	.	H	α-helix	trans	-62.5	-47.4	176.2	-79.7	-173.6	-178.9	166	-2.6	111.9	E82 Q83 I88 L89 E90	E82-R86 PolarHBondContact O-N 3.31Å; Q83-R86 WeakPolarHBondContact O-CA 2.98Å; Q83-R86 WeakPolarHBondContact O-CB 3.34Å; Q83-R86 PolarHBondContact O-N 3.45Å; R86-I88 PolarHBondContact O-N 3.43Å; R86-L89 CarbonylContact O-C 3.5Å; R86-L89 PolarHBondContact O-N 3.28Å; R86-E90 WeakPolarHBondContact O-CB 3.45Å; R86-E90 PolarHBondContact O-N 3.23Å
87	D	77.6	Confident	75.5	Confident	83 Å²	83	92.7 Å²	92.7	44%	0.444	46%	0.456	S	S	.	.	H	α-helix	trans	-61.1	-36.4	-178.1	-60.5	-16	0	0	0	111.6	Q83 V84 N91	Q83-D87 PolarHBondContact NE2-OD1 2.89Å; Q83-D87 VanDerWaalsContact O-CG 3.28Å; Q83-D87 PolarHBondContact O-N 3.29Å; V84-D87 PolarHBondContact O-N 2.91Å; D87-N91 WeakPolarHBondContact O-CB 3.37Å; D87-N91 PolarHBondContact O-N 3.32Å
88	I	75.8	Confident	75.4	Confident	78 Å²	78	91.5 Å²	91.5	40%	0.4	45%	0.45	S	S	.	.	H	α-helix	trans	-68.5	-39.2	173.6	-67	167.8	0	0	0	111.8	V84 R86 K94	V84-I88 HydrophobicContact CG1-CD1 3.88Å; V84-I88 WeakPolarHBondContact O-CD1 3.48Å; V84-I88 VanDerWaalsContact O-CG1 3.24Å; V84-I88 WeakPolarHBondContact O-CG1 3.4Å; V84-I88 PolarHBondContact O-N 3.04Å; V84-I88 VanDerWaalsContact O-N 3.1Å; R86-I88 PolarHBondContact O-N 3.43Å; I88-K94 HydrophobicContact CG2-CB 4.29Å; I88-K94 VanDerWaalsContact O-CB 3.27Å; I88-K94 WeakPolarHBondContact O-CB 3.43Å
89	L	73.1	Confident	75.1	Confident	92 Å²	92	93.5 Å²	93.5	48%	0.482	45%	0.454	S	S	.	.	H	α-helix	trans	-80.7	-24.2	-178.2	-73.1	168.9	0	0	0	113.7	R85 R86 M95 L98	R85-L89 WeakPolarHBondContact O-CB 3.39Å; R85-L89 WeakPolarHBondContact O-CD1 3.42Å; R85-L89 VanDerWaalsContact O-CG 3.24Å; R85-L89 WeakPolarHBondContact O-CG 3.49Å; R85-L89 PolarHBondContact O-N 3.08Å; R86-L89 CarbonylContact O-C 3.5Å; R86-L89 PolarHBondContact O-N 3.28Å; L89-M95 HydrophobicContact CB-SD 4.44Å; L89-M95 HydrophobicContact CD2-SD 3.58Å; L89-M95 VanDerWaalsContact CD2-SD 3.58Å; L89-M95 WeakPolarHBondContact O-CG 3.19Å; L89-L98 HydrophobicContact CD2-CD2 4.06Å
90	E	77.9	Confident	74.7	Confident	155 Å²	155	97.7 Å²	97.7	72%	0.724	47%	0.469	S	S	*	.	H	α-helix	trans	-83.6	-31.9	177.7	-169.2	164.1	-162.8	0	0	111	R86 P92	R86-E90 WeakPolarHBondContact O-CB 3.45Å; R86-E90 PolarHBondContact O-N 3.23Å; E90-P92 VanDerWaalsContact O-CD 3.26Å; E90-P92 WeakPolarHBondContact O-CD 3.44Å; E90-P92 VanDerWaalsContact O-N 3.16Å
91	N	77	Confident	74.9	Confident	67 Å²	67	97 Å²	97	36%	0.358	47%	0.468	S	S	.	.			trans	-64.5	114	176.2	-176.3	-46.7	0	0	0	111.1	D87 M93 K94 M95	D87-N91 WeakPolarHBondContact O-CB 3.37Å; D87-N91 PolarHBondContact O-N 3.32Å; N91-M93 VanDerWaalsContact C-N 3.25Å; N91-M93 PolarHBondContact O-N 3Å; N91-M93 WeakPolarHBondContact OD1-CB 3.49Å; N91-M93 PolarHBondContact OD1-N 3.39Å; N91-K94 HydrophobicContact CB-CB 4.02Å; N91-K94 HydrophobicContact CB-CG 4.01Å; N91-K94 PolarHBondContact O-N 2.79Å; N91-K94 PolarHBondContact OD1-N 3.3Å; N91-K94 VanDerWaalsContact OD1-N 3.12Å; N91-M95 WeakPolarHBondContact O-CB 3.3Å; N91-M95 PolarHBondContact O-N 2.94Å
92	P	73.6	Confident	74.9	Confident	104 Å²	104	96.1 Å²	96.1	68%	0.675	47%	0.469	S	S	*	.	H	α-helix	trans	-64.6	-28.7	-173.6	25.1	-34.2	0	0	0	112.9	E90 K96	E90-P92 VanDerWaalsContact O-CD 3.26Å; E90-P92 WeakPolarHBondContact O-CD 3.44Å; E90-P92 VanDerWaalsContact O-N 3.16Å; P92-K96 VanDerWaalsContact O-CB 3.32Å; P92-K96 WeakPolarHBondContact O-CB 3.47Å; P92-K96 PolarHBondContact O-N 2.95Å
93	M	60.8	Low	74.8	Confident	144 Å²	144	95.7 Å²	95.7	71%	0.709	47%	0.468	S	S	*	.	H	α-helix	trans	-73.8	-44.9	177.1	-72.9	-71	-76.8	0	0	111.7	N91 K96 C97	N91-M93 VanDerWaalsContact C-N 3.25Å; N91-M93 PolarHBondContact O-N 3Å; N91-M93 WeakPolarHBondContact OD1-CB 3.49Å; N91-M93 PolarHBondContact OD1-N 3.39Å; M93-K96 PolarHBondContact O-N 3.35Å; M93-C97 PolarHBondContact O-N 3.36Å
94	K	70.3	Confident	74.6	Confident	126 Å²	126	99.5 Å²	99.5	55%	0.548	48%	0.484	S	S	.	.	H	α-helix	trans	-63.9	-42.1	174.5	-67.9	-72.4	-174.4	175.7	0	110.6	I88 N91 K96 C97 L98	I88-K94 HydrophobicContact CG2-CB 4.29Å; I88-K94 VanDerWaalsContact O-CB 3.27Å; I88-K94 WeakPolarHBondContact O-CB 3.43Å; N91-K94 HydrophobicContact CB-CB 4.02Å; N91-K94 HydrophobicContact CB-CG 4.01Å; N91-K94 PolarHBondContact O-N 2.79Å; N91-K94 PolarHBondContact OD1-N 3.3Å; N91-K94 VanDerWaalsContact OD1-N 3.12Å; K94-K96 PolarHBondContact O-N 3.32Å; K94-C97 WeakPolarHBondContact O-CB 3.45Å; K94-C97 PolarHBondContact O-N 3.09Å; K94-L98 WeakPolarHBondContact O-CB 3.43Å; K94-L98 PolarHBondContact O-N 3.29Å
95	M	73.2	Confident	74.4	Confident	47 Å²	47	98.1 Å²	98.1	23%	0.232	48%	0.481	C	S	.	.	H	α-helix	trans	-59.6	-43.7	172.5	-87.9	-65	-85.3	0	0	113.3	L89 N91 C97 L98 R99	L89-M95 HydrophobicContact CB-SD 4.44Å; L89-M95 HydrophobicContact CD2-SD 3.58Å; L89-M95 VanDerWaalsContact CD2-SD 3.58Å; L89-M95 WeakPolarHBondContact O-CG 3.19Å; N91-M95 WeakPolarHBondContact O-CB 3.3Å; N91-M95 PolarHBondContact O-N 2.94Å; M95-C97 VanDerWaalsContact C-N 3.29Å; M95-C97 PolarHBondContact O-N 3.43Å; M95-L98 PolarHBondContact O-N 3.33Å; M95-R99 WeakPolarHBondContact O-CB 3.43Å; M95-R99 VanDerWaalsContact O-CG 3.27Å; M95-R99 WeakPolarHBondContact O-CG 3.35Å; M95-R99 PolarHBondContact O-N 3.28Å
96	K	72	Confident	74.3	Confident	98 Å²	98	96.9 Å²	96.9	43%	0.426	48%	0.483	S	S	.	.	H	α-helix	trans	-61.3	-40.5	175.4	-171.6	173.6	-174.1	172.7	0	111.4	P92 M93 K94 K100	P92-K96 VanDerWaalsContact O-CB 3.32Å; P92-K96 WeakPolarHBondContact O-CB 3.47Å; P92-K96 PolarHBondContact O-N 2.95Å; M93-K96 PolarHBondContact O-N 3.35Å; K94-K96 PolarHBondContact O-N 3.32Å; K96-K100 WeakPolarHBondContact O-CG 3.38Å; K96-K100 PolarHBondContact O-N 2.94Å
97	C	73.5	Confident	74.1	Confident	68 Å²	68	97 Å²	97	46%	0.459	48%	0.484	S	S	.	.	H	α-helix	trans	-63.4	-48.5	174.3	-169.5	0	0	0	0	111.6	M93 K94 M95 R99 K100 I101	M93-C97 PolarHBondContact O-N 3.36Å; K94-C97 WeakPolarHBondContact O-CB 3.45Å; K94-C97 PolarHBondContact O-N 3.09Å; M95-C97 VanDerWaalsContact C-N 3.29Å; M95-C97 PolarHBondContact O-N 3.43Å; C97-R99 PolarHBondContact O-N 3.18Å; C97-K100 WeakPolarHBondContact O-CB 3.47Å; C97-K100 PolarHBondContact O-N 3.12Å; C97-K100 VanDerWaalsContact O-N 3.12Å; C97-I101 WeakPolarHBondContact O-CG1 3.47Å; C97-I101 PolarHBondContact O-N 3.23Å
98	L	73.4	Confident	73.9	Confident	74 Å²	74	99.1 Å²	99.1	39%	0.387	49%	0.486	S	S	.	.	H	α-helix	trans	-62.8	-43.6	-179.8	-162.7	70	0	0	0	111.5	L89 K94 M95 K100 I101 V102	L89-L98 HydrophobicContact CD2-CD2 4.06Å; K94-L98 WeakPolarHBondContact O-CB 3.43Å; K94-L98 PolarHBondContact O-N 3.29Å; M95-L98 PolarHBondContact O-N 3.33Å; L98-K100 VanDerWaalsContact C-N 3.34Å; L98-K100 PolarHBondContact O-N 3.4Å; L98-I101 PolarHBondContact O-N 3.37Å; L98-I101 VanDerWaalsContact O-N 3.17Å; L98-V102 WeakPolarHBondContact O-CG2 3.24Å; L98-V102 PolarHBondContact O-N 2.95Å
99	R	73.9	Confident	73.9	Confident	158 Å²	158	102 Å²	102	60%	0.596	50%	0.495	S	S	*	.	H	α-helix	trans	-56.1	-46.6	171.9	-74.3	179	-174.1	-151.9	3.2	111	M95 C97 I101 V102 M103	M95-R99 WeakPolarHBondContact O-CB 3.43Å; M95-R99 VanDerWaalsContact O-CG 3.27Å; M95-R99 WeakPolarHBondContact O-CG 3.35Å; M95-R99 PolarHBondContact O-N 3.28Å; C97-R99 PolarHBondContact O-N 3.18Å; R99-I101 PolarHBondContact O-N 2.92Å; R99-V102 PolarHBondContact O-N 3.38Å; R99-M103 HydrophobicContact CB-CE 4.42Å; R99-M103 VanDerWaalsContact O-CB 3.29Å; R99-M103 WeakPolarHBondContact O-CB 3.4Å; R99-M103 WeakPolarHBondContact O-CG 3.32Å; R99-M103 PolarHBondContact O-N 3.08Å
100	K	73.8	Confident	73.8	Confident	129 Å²	129	100.6 Å²	100.6	56%	0.561	49%	0.487	S	S	*	.	H	α-helix	trans	-59.5	-42.9	176.1	-78.3	-177.6	177.1	-173.2	0	112.4	K96 C97 L98 K104	K96-K100 WeakPolarHBondContact O-CG 3.38Å; K96-K100 PolarHBondContact O-N 2.94Å; C97-K100 WeakPolarHBondContact O-CB 3.47Å; C97-K100 PolarHBondContact O-N 3.12Å; C97-K100 VanDerWaalsContact O-N 3.12Å; L98-K100 VanDerWaalsContact C-N 3.34Å; L98-K100 PolarHBondContact O-N 3.4Å; K100-K104 WeakPolarHBondContact O-CB 3.24Å; K100-K104 PolarHBondContact O-N 2.91Å
101	I	77.9	Confident	73.6	Confident	102 Å²	102	100 Å²	100	52%	0.523	48%	0.482	S	S	.	.	H	α-helix	trans	-64	-51.3	178.5	-66.8	168.4	0	0	0	110.6	C97 L98 R99 M103 K104 A105	C97-I101 WeakPolarHBondContact O-CG1 3.47Å; C97-I101 PolarHBondContact O-N 3.23Å; L98-I101 PolarHBondContact O-N 3.37Å; L98-I101 VanDerWaalsContact O-N 3.17Å; R99-I101 PolarHBondContact O-N 2.92Å; I101-M103 VanDerWaalsContact C-N 3.34Å; I101-M103 PolarHBondContact O-N 2.89Å; I101-K104 PolarHBondContact O-N 3.07Å; I101-A105 PolarHBondContact O-N 2.97Å
102	V	75.8	Confident	73.5	Confident	77 Å²	77	105.1 Å²	105.1	47%	0.467	50%	0.501	S	S	.	.	H	α-helix	trans	-60.1	-43.7	179.1	173.2	0	0	0	0	110.8	L98 R99 A105 L106	L98-V102 WeakPolarHBondContact O-CG2 3.24Å; L98-V102 PolarHBondContact O-N 2.95Å; R99-V102 PolarHBondContact O-N 3.38Å; V102-A105 WeakPolarHBondContact O-CB 3.36Å; V102-A105 PolarHBondContact O-N 2.94Å; V102-L106 HydrophobicContact CG1-CD1 4.17Å; V102-L106 WeakPolarHBondContact O-CG 3.36Å; V102-L106 PolarHBondContact O-N 3.4Å
103	M	76.3	Confident	73.3	Confident	51 Å²	51	105.6 Å²	105.6	25%	0.251	50%	0.496	S	S	.	.	H	α-helix	trans	-65.3	-40.4	177.7	-71.8	-172.8	-55.3	0	0	112.4	R99 I101 A105 L106 R107 V133 A137	R99-M103 HydrophobicContact CB-CE 4.42Å; R99-M103 VanDerWaalsContact O-CB 3.29Å; R99-M103 WeakPolarHBondContact O-CB 3.4Å; R99-M103 WeakPolarHBondContact O-CG 3.32Å; R99-M103 PolarHBondContact O-N 3.08Å; I101-M103 VanDerWaalsContact C-N 3.34Å; I101-M103 PolarHBondContact O-N 2.89Å; M103-A105 VanDerWaalsContact C-N 3.3Å; M103-A105 PolarHBondContact O-N 3.24Å; M103-L106 PolarHBondContact O-N 2.9Å; M103-R107 WeakPolarHBondContact O-CB 3.47Å; M103-R107 PolarHBondContact O-N 3.01Å; M103-V133 HydrophobicContact CG-CG1 4.35Å; M103-V133 HydrophobicContact SD-CG1 3.3Å; M103-V133 WeakPolarHBondContact SD-CG1 3.47Å; M103-A137 HydrophobicContact CE-CB 3.71Å
104	K	74.4	Confident	73.5	Confident	129 Å²	129	103 Å²	103	56%	0.561	48%	0.479	S	S	*	.	H	α-helix	trans	-63.1	-38.3	174.9	-169.3	174.2	-176.4	174.4	0	111.3	K100 I101 R108	K100-K104 WeakPolarHBondContact O-CB 3.24Å; K100-K104 PolarHBondContact O-N 2.91Å; I101-K104 PolarHBondContact O-N 3.07Å; K104-R108 WeakPolarHBondContact O-CG 3.3Å; K104-R108 PolarHBondContact O-N 3.33Å; K104-R108 VanDerWaalsContact O-N 3.09Å
105	A	75.5	Confident	73.3	Confident	55 Å²	55	105.6 Å²	105.6	46%	0.455	49%	0.49	S	S	.	.	H	α-helix	trans	-66.9	-45.8	174.8	0	0	0	0	0	112.2	I101 V102 M103 R107 R108 K109	I101-A105 PolarHBondContact O-N 2.97Å; V102-A105 WeakPolarHBondContact O-CB 3.36Å; V102-A105 PolarHBondContact O-N 2.94Å; M103-A105 VanDerWaalsContact C-N 3.3Å; M103-A105 PolarHBondContact O-N 3.24Å; A105-R107 PolarHBondContact O-N 3.05Å; A105-R108 WeakPolarHBondContact O-CB 3.4Å; A105-R108 PolarHBondContact O-N 2.94Å; A105-K109 PolarHBondContact O-N 3.48Å
106	L	76.9	Confident	72.9	Confident	102 Å²	102	106.8 Å²	106.8	53%	0.534	51%	0.514	S	S	.	.	H	α-helix	trans	-60.1	-44.4	174.9	-75.6	172.1	0	0	0	111.9	V102 M103 R108 K109 M110	V102-L106 HydrophobicContact CG1-CD1 4.17Å; V102-L106 WeakPolarHBondContact O-CG 3.36Å; V102-L106 PolarHBondContact O-N 3.4Å; M103-L106 PolarHBondContact O-N 2.9Å; L106-R108 VanDerWaalsContact C-N 3.3Å; L106-R108 PolarHBondContact O-N 2.98Å; L106-K109 PolarHBondContact O-N 2.96Å; L106-K109 VanDerWaalsContact O-N 3.12Å; L106-M110 PolarHBondContact O-N 2.91Å
107	R	73.3	Confident	72.9	Confident	99 Å²	99	112.5 Å²	112.5	37%	0.374	53%	0.533	S	S	.	.	H	α-helix	trans	-59.4	-40.9	176	-167.9	172.8	-168.4	161.5	0.8	111.8	M103 A105 K111 F130 D134	M103-R107 WeakPolarHBondContact O-CB 3.47Å; M103-R107 PolarHBondContact O-N 3.01Å; A105-R107 PolarHBondContact O-N 3.05Å; R107-K111 WeakPolarHBondContact O-CB 3.37Å; R107-K111 WeakPolarHBondContact O-CG 3.48Å; R107-K111 PolarHBondContact O-N 3.3Å; R107-F130 HydrophobicContact CB-CE1 3.86Å; R107-F130 HydrophobicContact CB-CZ 4.25Å; R107-F130 HydrophobicContact CG-CD1 4.19Å; R107-F130 HydrophobicContact CG-CE1 3.81Å; R107-F130 HydrophobicContact CG-CE2 4.48Å; R107-F130 HydrophobicContact CG-CZ 3.98Å; R107-D134 IonicContact NH1-OD2 2.71Å
108	R	73.8	Confident	72.8	Confident	126 Å²	126	110.5 Å²	110.5	48%	0.475	52%	0.518	S	S	.	.	H	α-helix	trans	-65.6	-42.5	174	-75.5	173	172.4	179.6	-4.1	111.8	K104 A105 L106 K111 K112	K104-R108 WeakPolarHBondContact O-CG 3.3Å; K104-R108 PolarHBondContact O-N 3.33Å; K104-R108 VanDerWaalsContact O-N 3.09Å; A105-R108 WeakPolarHBondContact O-CB 3.4Å; A105-R108 PolarHBondContact O-N 2.94Å; L106-R108 VanDerWaalsContact C-N 3.3Å; L106-R108 PolarHBondContact O-N 2.98Å; R108-K111 PolarHBondContact O-N 3.46Å; R108-K112 WeakPolarHBondContact O-CB 3.39Å; R108-K112 WeakPolarHBondContact O-CG 3.29Å; R108-K112 PolarHBondContact O-N 2.83Å
109	K	74.9	Confident	73.1	Confident	139 Å²	139	110 Å²	110	60%	0.604	52%	0.518	S	S	*	.	H	α-helix	trans	-63.9	-45.3	178.6	-166.2	176	-178.8	180	0	111.6	A105 L106 K112 M113	A105-K109 PolarHBondContact O-N 3.48Å; L106-K109 PolarHBondContact O-N 2.96Å; L106-K109 VanDerWaalsContact O-N 3.12Å; K109-K112 PolarHBondContact O-N 3.25Å; K109-M113 WeakPolarHBondContact O-CB 3.47Å; K109-M113 PolarHBondContact O-N 3.26Å
110	M	72.5	Confident	73.3	Confident	63 Å²	63	106.9 Å²	106.9	31%	0.31	52%	0.518	S	S	.	.	H	α-helix	trans	-63.2	-47.4	173.7	-81.9	-160.4	173.6	0	0	112.1	L106 K112 M113 Y114 F130	L106-M110 PolarHBondContact O-N 2.91Å; M110-K112 PolarHBondContact O-N 3.17Å; M110-M113 PolarHBondContact O-N 3.45Å; M110-M113 VanDerWaalsContact O-N 3.13Å; M110-Y114 HydrophobicContact CB-CD2 4.04Å; M110-Y114 HydrophobicContact CB-CE2 4.22Å; M110-Y114 HydrophobicContact CG-CD2 4.36Å; M110-Y114 HydrophobicContact CG-CE2 4.02Å; M110-Y114 WeakPolarHBondContact O-CB 3.27Å; M110-Y114 WeakPolarHBondContact O-CD2 3.37Å; M110-Y114 PolarHBondContact O-N 2.69Å; M110-Y114 HydrophobicContact SD-CE2 4.19Å; M110-F130 HydrophobicContact CB-CZ 4.16Å; M110-F130 HydrophobicContact CG-CZ 4.44Å; M110-F130 HydrophobicContact SD-CE2 4.25Å; M110-F130 HydrophobicContact SD-CZ 3.71Å
111	K	72.1	Confident	73.6	Confident	143 Å²	143	107 Å²	107	62%	0.622	52%	0.521	S	S	*	.	H	α-helix	trans	-57.1	-36.4	175.8	-81	-172.5	176.3	-170.4	0	112.8	R107 R108 K115	R107-K111 WeakPolarHBondContact O-CB 3.37Å; R107-K111 WeakPolarHBondContact O-CG 3.48Å; R107-K111 PolarHBondContact O-N 3.3Å; R108-K111 PolarHBondContact O-N 3.46Å; K111-K115 WeakPolarHBondContact O-CB 2.86Å; K111-K115 PolarHBondContact O-N 3.38Å
112	K	74.8	Confident	73.5	Confident	173 Å²	173	106.1 Å²	106.1	75%	0.752	52%	0.515	S	S	*	.	H	α-helix	trans	-70.1	-46.4	174.8	-77.7	-176.1	177.3	-174.5	0	111.8	R108 K109 M110 Y114	R108-K112 WeakPolarHBondContact O-CB 3.39Å; R108-K112 WeakPolarHBondContact O-CG 3.29Å; R108-K112 PolarHBondContact O-N 2.83Å; K109-K112 PolarHBondContact O-N 3.25Å; M110-K112 PolarHBondContact O-N 3.17Å; K112-Y114 VanDerWaalsContact C-N 3.31Å; K112-Y114 PolarHBondContact O-N 3.46Å
113	M	69.4	Low	73.4	Confident	114 Å²	114	109.9 Å²	109.9	56%	0.562	52%	0.52	S	S	*	.	H	α-helix	trans	-62.9	-38.2	-178.9	-168.6	-177.7	-59.9	0	0	112.4	K109 M110	K109-M113 WeakPolarHBondContact O-CB 3.47Å; K109-M113 PolarHBondContact O-N 3.26Å; M110-M113 PolarHBondContact O-N 3.45Å; M110-M113 VanDerWaalsContact O-N 3.13Å
114	Y	65.3	Low	73.6	Confident	90 Å²	90	112.3 Å²	112.3	35%	0.353	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	7.9	-173.4	-66.8	-53.1	0	0	0	114.4	M110 K112 G116 R117 L118	M110-Y114 HydrophobicContact CB-CD2 4.04Å; M110-Y114 HydrophobicContact CB-CE2 4.22Å; M110-Y114 HydrophobicContact CG-CD2 4.36Å; M110-Y114 HydrophobicContact CG-CE2 4.02Å; M110-Y114 WeakPolarHBondContact O-CB 3.27Å; M110-Y114 WeakPolarHBondContact O-CD2 3.37Å; M110-Y114 PolarHBondContact O-N 2.69Å; M110-Y114 HydrophobicContact SD-CE2 4.19Å; K112-Y114 VanDerWaalsContact C-N 3.31Å; K112-Y114 PolarHBondContact O-N 3.46Å; Y114-G116 PolarHBondContact O-N 2.92Å; Y114-R117 PolarHBondContact O-N 3.23Å; Y114-L118 HydrophobicContact CD1-CD1 3.04Å; Y114-L118 HydrophobicContact CD1-CG 4.39Å; Y114-L118 HydrophobicContact CD2-CD1 4.35Å; Y114-L118 HydrophobicContact CE1-CD1 3.73Å; Y114-L118 HydrophobicContact CG-CD1 3.39Å; Y114-L118 HydrophobicContact CG-CD2 4.21Å; Y114-L118 HydrophobicContact CG-CG 4.42Å
115	K	65.8	Low	73.8	Confident	181 Å²	181	111.9 Å²	111.9	79%	0.787	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	102.6	179	-156.9	179.8	-179	-171.7	0	109.3	K111	K111-K115 WeakPolarHBondContact O-CB 2.86Å; K111-K115 PolarHBondContact O-N 3.38Å
116	G	65.9	Low	73.7	Confident	72 Å²	72	110.8 Å²	110.8	74%	0.742	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	3.3	174.9	0	0	0	0	0	117.2	Y114	Y114-G116 PolarHBondContact O-N 2.92Å
117	R	71.8	Confident	73.7	Confident	217 Å²	217	108.6 Å²	108.6	82%	0.819	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-5.5	-175.4	-66.8	-171.7	-177.6	-173.8	0.4	116.2	Y114	Y114-R117 PolarHBondContact O-N 3.23Å
118	L	71.6	Confident	74	Confident	26 Å²	26	110.2 Å²	110.2	14%	0.136	53%	0.525	C	S	.	.			trans	-87	131	-172.8	-110.4	55.3	0	0	0	113	Y114 E122 R123	Y114-L118 HydrophobicContact CD1-CD1 3.04Å; Y114-L118 HydrophobicContact CD1-CG 4.39Å; Y114-L118 HydrophobicContact CD2-CD1 4.35Å; Y114-L118 HydrophobicContact CE1-CD1 3.73Å; Y114-L118 HydrophobicContact CG-CD1 3.39Å; Y114-L118 HydrophobicContact CG-CD2 4.21Å; Y114-L118 HydrophobicContact CG-CG 4.42Å; L118-E122 VanDerWaalsContact CA-OE2 3.31Å; L118-E122 WeakPolarHBondContact CA-OE2 3.26Å; L118-E122 HydrophobicContact CB-CB 4.39Å; L118-E122 HydrophobicContact CD1-CB 4.49Å; L118-E122 HydrophobicContact CD2-CB 4.21Å; L118-E122 HydrophobicContact CG-CB 3.65Å; L118-R123 HydrophobicContact CB-CG 3.81Å; L118-R123 HydrophobicContact CD2-CG 4.1Å; L118-R123 HydrophobicContact CG-CG 4.48Å
119	T	79.3	Confident	74.2	Confident	63 Å²	63	109.2 Å²	109.2	39%	0.387	52%	0.524	S	S	.	.			trans	-65.9	159.7	167.7	81.5	0	0	0	0	110.2	E121 E122 R123	T119-E121 WeakPolarHBondContact CB-OE2 3.21Å; T119-E121 PolarHBondContact O-N 3.32Å; T119-E121 PolarHBondContact OG1-N 2.86Å; T119-E121 PolarHBondContact OG1-OE2 3.47Å; T119-E122 PolarHBondContact N-OE2 3.26Å; T119-E122 PolarHBondContact O-N 2.96Å; T119-E122 PolarHBondContact OG1-N 3.39Å; T119-R123 PolarHBondContact O-N 3.27Å
120	P	79.1	Confident	74.3	Confident	94 Å²	94	104.1 Å²	104.1	61%	0.61	50%	0.502	S	S	*	.	H	α-helix	trans	-54.3	-37.7	175.5	-25.8	35.8	0	0	0	113.3	R123 L124	P120-R123 PolarHBondContact O-N 3.41Å; P120-L124 PolarHBondContact O-N 3.06Å
121	E	79.1	Confident	74.5	Confident	130 Å²	130	106.7 Å²	106.7	61%	0.607	51%	0.513	S	S	*	.	H	α-helix	trans	-65.9	-45.6	178.3	-58.3	76.2	-158.4	0	0	111.8	T119 R123 L124 E125	T119-E121 WeakPolarHBondContact CB-OE2 3.21Å; T119-E121 PolarHBondContact O-N 3.32Å; T119-E121 PolarHBondContact OG1-N 2.86Å; T119-E121 PolarHBondContact OG1-OE2 3.47Å; E121-R123 VanDerWaalsContact C-N 3.33Å; E121-R123 PolarHBondContact O-N 2.67Å; E121-L124 WeakPolarHBondContact O-CB 3.26Å; E121-L124 PolarHBondContact O-N 2.76Å; E121-L124 VanDerWaalsContact O-N 3.16Å; E121-E125 PolarHBondContact O-N 2.98Å
122	E	75.3	Confident	74.7	Confident	85 Å²	85	104.1 Å²	104.1	40%	0.397	51%	0.506	S	S	.	.	H	α-helix	trans	-67.1	-32.8	179.1	-66.1	175.6	142.2	0	0	112.3	L118 T119 L124 E125 C126	L118-E122 VanDerWaalsContact CA-OE2 3.31Å; L118-E122 WeakPolarHBondContact CA-OE2 3.26Å; L118-E122 HydrophobicContact CB-CB 4.39Å; L118-E122 HydrophobicContact CD1-CB 4.49Å; L118-E122 HydrophobicContact CD2-CB 4.21Å; L118-E122 HydrophobicContact CG-CB 3.65Å; T119-E122 PolarHBondContact N-OE2 3.26Å; T119-E122 PolarHBondContact O-N 2.96Å; T119-E122 PolarHBondContact OG1-N 3.39Å; E122-L124 VanDerWaalsContact C-N 3.34Å; E122-E125 PolarHBondContact O-N 3.1Å; E122-C126 WeakPolarHBondContact O-CB 3.35Å; E122-C126 PolarHBondContact O-N 3.44Å; E122-C126 PolarHBondContact O-SG 3.35Å
123	R	75	Confident	74.1	Confident	155 Å²	155	97.5 Å²	97.5	59%	0.585	48%	0.48	S	S	*	.	H	α-helix	trans	-62.5	-43.2	171.2	-73.4	-170.3	-178.1	150.6	4	111.4	L118 T119 P120 E121 E125 C126 A127	L118-R123 HydrophobicContact CB-CG 3.81Å; L118-R123 HydrophobicContact CD2-CG 4.1Å; L118-R123 HydrophobicContact CG-CG 4.48Å; T119-R123 PolarHBondContact O-N 3.27Å; P120-R123 PolarHBondContact O-N 3.41Å; E121-R123 VanDerWaalsContact C-N 3.33Å; E121-R123 PolarHBondContact O-N 2.67Å; R123-E125 VanDerWaalsContact C-N 3.35Å; R123-C126 PolarHBondContact O-N 3.1Å; R123-A127 WeakPolarHBondContact O-CB 3.29Å; R123-A127 PolarHBondContact O-N 3.38Å
124	L	80.1	Confident	74.1	Confident	102 Å²	102	95.5 Å²	95.5	53%	0.534	47%	0.471	S	S	.	.	H	α-helix	trans	-66.5	-40.2	178.5	-172.6	65.5	0	0	0	110.7	P120 E121 E122 A127 R128	P120-L124 PolarHBondContact O-N 3.06Å; E121-L124 WeakPolarHBondContact O-CB 3.26Å; E121-L124 PolarHBondContact O-N 2.76Å; E121-L124 VanDerWaalsContact O-N 3.16Å; E122-L124 VanDerWaalsContact C-N 3.34Å; L124-A127 PolarHBondContact O-N 3.3Å; L124-R128 VanDerWaalsContact CD2-NH1 3.34Å; L124-R128 WeakPolarHBondContact O-CG 3.38Å; L124-R128 PolarHBondContact O-N 3.12Å
125	E	78.5	Confident	74.4	Confident	121 Å²	121	96 Å²	96	57%	0.565	48%	0.477	S	S	*	.	H	α-helix	trans	-65.4	-43.7	175.6	-167.4	165.8	-149.3	0	0	112.7	E121 E122 R123 A127 R128 F129	E121-E125 PolarHBondContact O-N 2.98Å; E122-E125 PolarHBondContact O-N 3.1Å; R123-E125 VanDerWaalsContact C-N 3.35Å; E125-A127 VanDerWaalsContact C-N 3.32Å; E125-A127 PolarHBondContact O-N 3.16Å; E125-R128 PolarHBondContact O-N 3.17Å; E125-F129 WeakPolarHBondContact O-CB 3.38Å; E125-F129 PolarHBondContact O-N 3.11Å
126	C	72.5	Confident	74.2	Confident	31 Å²	31	93.7 Å²	93.7	21%	0.209	47%	0.471	C	S	.	.	H	α-helix	trans	-58.9	-43	170.9	-81.7	0	0	0	0	111.8	E122 R123 F129 F130	E122-C126 WeakPolarHBondContact O-CB 3.35Å; E122-C126 PolarHBondContact O-N 3.44Å; E122-C126 PolarHBondContact O-SG 3.35Å; R123-C126 PolarHBondContact O-N 3.1Å; C126-F129 PolarHBondContact O-N 3.23Å; C126-F130 HydrophobicContact CB-CE2 4.49Å; C126-F130 WeakPolarHBondContact O-CD2 3.42Å; C126-F130 PolarHBondContact O-N 2.91Å
127	A	77.9	Confident	73.8	Confident	56 Å²	56	91.7 Å²	91.7	46%	0.463	45%	0.447	S	S	.	.	H	α-helix	trans	-63	-43.1	177.2	0	0	0	0	0	111.7	R123 L124 E125 F130 H131	R123-A127 WeakPolarHBondContact O-CB 3.29Å; R123-A127 PolarHBondContact O-N 3.38Å; L124-A127 PolarHBondContact O-N 3.3Å; E125-A127 VanDerWaalsContact C-N 3.32Å; E125-A127 PolarHBondContact O-N 3.16Å; A127-F130 PolarHBondContact O-N 2.95Å; A127-H131 WeakPolarHBondContact O-CB 3.13Å; A127-H131 PolarHBondContact O-N 3.44Å
128	R	80.2	Confident	72.9	Confident	134 Å²	134	85.9 Å²	85.9	51%	0.506	44%	0.438	S	S	.	.	H	α-helix	trans	-60.9	-44.9	173.5	-73.1	-170.9	-59.7	-105.6	0.8	111.8	L124 E125 H131 L132	L124-R128 VanDerWaalsContact CD2-NH1 3.34Å; L124-R128 WeakPolarHBondContact O-CG 3.38Å; L124-R128 PolarHBondContact O-N 3.12Å; E125-R128 PolarHBondContact O-N 3.17Å; R128-H131 PolarHBondContact O-N 3.17Å; R128-L132 WeakPolarHBondContact O-CB 3.37Å; R128-L132 PolarHBondContact O-N 3.27Å
129	F	78	Confident	71.6	Confident	105 Å²	105	88.9 Å²	88.9	46%	0.461	46%	0.461	S	S	.	.	H	α-helix	trans	-58.3	-50.5	176.4	173.9	-99.5	0	0	0	111.6	E125 C126 H131 L132 V133	E125-F129 WeakPolarHBondContact O-CB 3.38Å; E125-F129 PolarHBondContact O-N 3.11Å; C126-F129 PolarHBondContact O-N 3.23Å; F129-H131 VanDerWaalsContact C-N 3.31Å; F129-H131 PolarHBondContact O-N 3.19Å; F129-L132 PolarHBondContact O-N 3.5Å; F129-V133 HydrophobicContact CE1-CG2 4.16Å; F129-V133 HydrophobicContact CE2-CG2 4.15Å; F129-V133 HydrophobicContact CZ-CG2 3.97Å; F129-V133 VanDerWaalsContact O-CG2 3.26Å; F129-V133 WeakPolarHBondContact O-CG2 3.1Å; F129-V133 PolarHBondContact O-N 3.46Å
130	F	75.5	Confident	69.6	Low	32 Å²	32	96 Å²	96	14%	0.14	48%	0.481	C	S	.	.	H	α-helix	trans	-65.9	-33.5	178.5	-72.5	-61.3	0	0	0	112.7	R107 M110 C126 A127 V133 D134	R107-F130 HydrophobicContact CB-CE1 3.86Å; R107-F130 HydrophobicContact CB-CZ 4.25Å; R107-F130 HydrophobicContact CG-CD1 4.19Å; R107-F130 HydrophobicContact CG-CE1 3.81Å; R107-F130 HydrophobicContact CG-CE2 4.48Å; R107-F130 HydrophobicContact CG-CZ 3.98Å; M110-F130 HydrophobicContact CB-CZ 4.16Å; M110-F130 HydrophobicContact CG-CZ 4.44Å; M110-F130 HydrophobicContact SD-CE2 4.25Å; M110-F130 HydrophobicContact SD-CZ 3.71Å; C126-F130 HydrophobicContact CB-CE2 4.49Å; C126-F130 WeakPolarHBondContact O-CD2 3.42Å; C126-F130 PolarHBondContact O-N 2.91Å; A127-F130 PolarHBondContact O-N 2.95Å; F130-V133 PolarHBondContact O-N 3.33Å; F130-D134 WeakPolarHBondContact O-CB 3.1Å; F130-D134 PolarHBondContact O-N 3.12Å
131	H	78	Confident	67.3	Low	116 Å²	116	97.6 Å²	97.6	54%	0.537	50%	0.495	S	S	.	.	H	α-helix	trans	-67	-44.5	175.1	-171.4	71	0	0	0	112.2	A127 R128 F129 V133 D134 Q135	A127-H131 WeakPolarHBondContact O-CB 3.13Å; A127-H131 PolarHBondContact O-N 3.44Å; R128-H131 PolarHBondContact O-N 3.17Å; F129-H131 VanDerWaalsContact C-N 3.31Å; F129-H131 PolarHBondContact O-N 3.19Å; H131-V133 VanDerWaalsContact C-N 3.29Å; H131-V133 PolarHBondContact O-N 3.44Å; H131-D134 PolarHBondContact O-N 2.97Å; H131-Q135 PolarHBondContact CD2-NE2 2.88Å; H131-Q135 PolarHBondContact NE2-NE2 3.43Å; H131-Q135 WeakPolarHBondContact O-CG 3.41Å; H131-Q135 PolarHBondContact O-N 2.91Å
132	L	75.5	Confident	64.9	Low	89 Å²	89	97 Å²	97	47%	0.466	50%	0.5	S	S	.	.	H	α-helix	trans	-61	-39.5	175.1	-177.2	65.6	0	0	0	111.7	R128 F129 Q135 M136	R128-L132 WeakPolarHBondContact O-CB 3.37Å; R128-L132 PolarHBondContact O-N 3.27Å; F129-L132 PolarHBondContact O-N 3.5Å; L132-Q135 WeakPolarHBondContact O-CB 3.48Å; L132-Q135 PolarHBondContact O-N 2.91Å; L132-M136 HydrophobicContact CG-CE 4.31Å; L132-M136 PolarHBondContact O-N 2.72Å
133	V	63.2	Low	62.6	Low	34 Å²	34	96.2 Å²	96.2	21%	0.206	52%	0.515	C	S	.	.	H	α-helix	trans	-67.7	-42.2	176.3	171.5	0	0	0	0	111.7	M103 F129 F130 H131 Q135 M136 A137	M103-V133 HydrophobicContact CG-CG1 4.35Å; M103-V133 HydrophobicContact SD-CG1 3.3Å; M103-V133 WeakPolarHBondContact SD-CG1 3.47Å; F129-V133 HydrophobicContact CE1-CG2 4.16Å; F129-V133 HydrophobicContact CE2-CG2 4.15Å; F129-V133 HydrophobicContact CZ-CG2 3.97Å; F129-V133 VanDerWaalsContact O-CG2 3.26Å; F129-V133 WeakPolarHBondContact O-CG2 3.1Å; F129-V133 PolarHBondContact O-N 3.46Å; F130-V133 PolarHBondContact O-N 3.33Å; H131-V133 VanDerWaalsContact C-N 3.29Å; H131-V133 PolarHBondContact O-N 3.44Å; V133-Q135 VanDerWaalsContact C-N 3.27Å; V133-Q135 PolarHBondContact O-N 2.81Å; V133-M136 PolarHBondContact O-N 2.92Å; V133-A137 WeakPolarHBondContact O-CB 3.38Å; V133-A137 PolarHBondContact O-N 3.08Å
134	D	68.4	Low	60.1	Low	72 Å²	72	97.8 Å²	97.8	39%	0.385	53%	0.531	S	S	.	.	H	α-helix	trans	-63.5	-34.9	174.8	-79.2	-21.1	0	0	0	111.1	R107 F130 H131 A137 C138	R107-D134 IonicContact NH1-OD2 2.71Å; F130-D134 WeakPolarHBondContact O-CB 3.1Å; F130-D134 PolarHBondContact O-N 3.12Å; H131-D134 PolarHBondContact O-N 2.97Å; D134-A137 PolarHBondContact O-N 2.72Å; D134-C138 VanDerWaalsContact O-CB 3.28Å; D134-C138 WeakPolarHBondContact O-CB 3.14Å; D134-C138 PolarHBondContact O-N 3.4Å; D134-C138 PolarHBondContact O-SG 2.95Å
135	Q	71.1	Confident	57.4	Low	101 Å²	101	97.7 Å²	97.7	47%	0.472	55%	0.545	S	S	.	.	H	α-helix	trans	-61.7	-52.6	170.3	-72.7	-176.4	8.9	0	0	111.1	H131 L132 V133 A137 C138 S139	H131-Q135 PolarHBondContact CD2-NE2 2.88Å; H131-Q135 PolarHBondContact NE2-NE2 3.43Å; H131-Q135 WeakPolarHBondContact O-CG 3.41Å; H131-Q135 PolarHBondContact O-N 2.91Å; L132-Q135 WeakPolarHBondContact O-CB 3.48Å; L132-Q135 PolarHBondContact O-N 2.91Å; V133-Q135 VanDerWaalsContact C-N 3.27Å; V133-Q135 PolarHBondContact O-N 2.81Å; Q135-A137 PolarHBondContact O-N 2.78Å; Q135-C138 CarbonylContact O-C 3.59Å; Q135-C138 PolarHBondContact O-N 3.08Å; Q135-S139 PolarHBondContact O-N 3.49Å; Q135-S139 PolarHBondContact O-OG 3.29Å
136	M	62	Low	54.7	Low	133 Å²	133	95.8 Å²	95.8	66%	0.655	56%	0.558	S	S	*	*	H	α-helix	trans	-59.1	-32.7	177.7	-71.5	-176.6	-175.9	0	0	113.4	L132 V133 C138	L132-M136 HydrophobicContact CG-CE 4.31Å; L132-M136 PolarHBondContact O-N 2.72Å; V133-M136 PolarHBondContact O-N 2.92Å; M136-C138 VanDerWaalsContact C-N 3.33Å
137	A	57.6	Low	52.4	Low	29 Å²	29	99.8 Å²	99.8	24%	0.24	59%	0.586	C	S	.	*	H	α-helix	trans	-74.5	-24.9	176.9	0	0	0	0	0	113.3	M103 V133 D134 Q135	M103-A137 HydrophobicContact CE-CB 3.71Å; V133-A137 WeakPolarHBondContact O-CB 3.38Å; V133-A137 PolarHBondContact O-N 3.08Å; D134-A137 PolarHBondContact O-N 2.72Å; Q135-A137 PolarHBondContact O-N 2.78Å
138	C	53.1	Low	49.9	Very low	95 Å²	95	102.6 Å²	102.6	64%	0.642	60%	0.603	S	S	*	*	H	α-helix	trans	-98.1	-22.5	-178.5	-67.3	0	0	0	0	113.3	D134 Q135 M136 R140	D134-C138 VanDerWaalsContact O-CB 3.28Å; D134-C138 WeakPolarHBondContact O-CB 3.14Å; D134-C138 PolarHBondContact O-N 3.4Å; D134-C138 PolarHBondContact O-SG 2.95Å; Q135-C138 CarbonylContact O-C 3.59Å; Q135-C138 PolarHBondContact O-N 3.08Å; M136-C138 VanDerWaalsContact C-N 3.33Å; C138-R140 PolarHBondContact O-N 2.62Å
139	S	43.5	Very low	47.3	Very low	89 Å²	89	105.2 Å²	105.2	62%	0.622	62%	0.618	S	S	*	*			trans	-57.7	105.8	176	-59.2	0	0	0	0	110.1	Q135	Q135-S139 PolarHBondContact O-N 3.49Å; Q135-S139 PolarHBondContact O-OG 3.29Å
140	R	37.9	Very low	44.7	Very low	212 Å²	212	107 Å²	107	80%	0.8	64%	0.637	S	S	*	*			trans	-58.6	142.2	165.1	-75.4	174.9	172.2	170.8	-3.2	107.5	C138 T142	C138-R140 PolarHBondContact O-N 2.62Å; R140-T142 HydrophobicContact CB-CG2 4.29Å; R140-T142 PolarHBondContact O-N 3.15Å
141	S	31.4	Very low	42.5	Very low	128 Å²	128	112.1 Å²	112.1	90%	0.895	67%	0.671	S	S	*	*			trans	-62.2	79	166.9	51.9	0	0	0	0	109.4
142	T	29.2	Very low	39.9	Very low	118 Å²	118	109.4 Å²	109.4	72%	0.724	67%	0.674	S	S	*	*			trans	-101.5	106.5	167.8	48.7	0	0	0	0	106.4	R140	R140-T142 HydrophobicContact CB-CG2 4.29Å; R140-T142 PolarHBondContact O-N 3.15Å
143	G	25.5	Very low	37.4	Very low	68 Å²	68	113.2 Å²	113.2	70%	0.701	70%	0.695	S	S	*	*			trans	-56	142.2	168.2	0	0	0	0	0	110.7
144	M	22.5	Very low	35.7	Very low	188 Å²	188	119.7 Å²	119.7	93%	0.926	73%	0.728	S	S	*	*			trans	40.4	111	153.2	-57.1	-141	73.3	0	0	119
145	A	24.5	Very low	33.7	Very low	100 Å²	100	120.8 Å²	120.8	83%	0.826	75%	0.747	S	S	*	*				168.3	130.4	115.6	0	0	0	0	0	109
146	G	22.1	Very low	31.6	Very low	82 Å²	82	123.5 Å²	123.5	85%	0.845	76%	0.764	S	S	*	*			trans	-69.1	148.8	-176.9	0	0	0	0	0	113.6
147	S	24.4	Very low	29.7	Very low	114 Å²	114	125.9 Å²	125.9	80%	0.797	77%	0.773	S	S	*	*			trans	-162.5	126.3	133.9	-167.9	0	0	0	0	109.8
148	S	23.8	Very low	28.1	Very low	116 Å²	116	132.2 Å²	132.2	81%	0.811	80%	0.803	S	S	*	*			trans	-67.4	118.1	175.3	-161.4	0	0	0	0	109.9
149	K	26.7	Very low	26.7	Very low	189 Å²	189	133.1 Å²	133.1	82%	0.822	81%	0.811	S	S	*	*			trans	-143.7	117.4	156.8	-77	-165.1	178.4	174.3	0	111.5
150	T	23.5	Very low	25.6	Very low	141 Å²	141	134.4 Å²	134.4	87%	0.865	82%	0.818	S	S	*	*			trans	-42.1	121.1	172.3	-29.3	0	0	0	0	112.5
151	V	28.5	Very low	25	Very low	141 Å²	141	132.5 Å²	132.5	86%	0.855	82%	0.824	S	S	*	*			trans	-89	106.5	171.1	178.4	0	0	0	0	107.9
152	G	23.5	Very low	24.6	Very low	59 Å²	59	135.8 Å²	135.8	61%	0.608	82%	0.822	S	S	*	*			trans	-71.5	147.5	171.7	0	0	0	0	0	112.1	L154	G152-L154 PolarHBondContact O-N 2.88Å
153	N	23.5	Very low	24.5	Very low	169 Å²	169	136 Å²	136	90%	0.904	83%	0.825	S	S	*	*			trans	-53.3	115.7	174.9	-69.6	-30.1	0	0	0	111.7
154	L	26.9	Very low	24.5	Very low	170 Å²	170	142.1 Å²	142.1	89%	0.89	84%	0.836	S	S	*	*			trans	-101.8	102.1	159.9	-87.5	158	0	0	0	107.6	G152 L156	G152-L154 PolarHBondContact O-N 2.88Å; L154-L156 PolarHBondContact O-N 3.35Å
155	A	26	Very low	24.5	Very low	94 Å²	94	142.1 Å²	142.1	78%	0.777	84%	0.836	S	S	*	*			trans	-61.3	121.6	169.2	0	0	0	0	0	108.8	E157	A155-E157 PolarHBondContact O-N 2.99Å
156	L	26.9	Very low	24.3	Very low	159 Å²	159	148.8 Å²	148.8	83%	0.832	84%	0.839	S	S	*	*			trans	-84.3	109.8	175.6	-151.8	77.9	0	0	0	107.6	L154 N158	L154-L156 PolarHBondContact O-N 3.35Å; L156-N158 PolarHBondContact O-N 3.26Å
157	E	22.9	Very low	24.4	Very low	182 Å²	182	154 Å²	154	85%	0.85	84%	0.839	S	S	*	*			trans	-64.8	116.4	172.3	-71.5	-172.7	152.1	0	0	110	A155 S159	A155-E157 PolarHBondContact O-N 2.99Å; E157-S159 PolarHBondContact O-N 2.94Å
158	N	24.6	Very low	24.4	Very low	163 Å²	163	155.5 Å²	155.5	87%	0.872	84%	0.838	S	S	*	*			trans	-77.8	104.9	168.4	-81.2	-27.5	0	0	0	108.8	L156	L156-N158 PolarHBondContact O-N 3.26Å
159	S	22.3	Very low	24.3	Very low	114 Å²	114	158 Å²	158	80%	0.797	84%	0.841	S	S	*	*			trans	-124.2	126.7	162.9	68.4	0	0	0	0	110	E157	E157-S159 PolarHBondContact O-N 2.94Å
160	C	21.5	Very low	24.2	Very low	116 Å²	116	160.6 Å²	160.6	78%	0.784	85%	0.845	S	S	*	*			trans	131.9	75.3	160.2	-151.2	0	0	0	0	112.1
161	N	24.3	Very low	24.2	Very low	171 Å²	171	157.4 Å²	157.4	91%	0.914	84%	0.84	S	S	*	*			trans	-116.4	113.3	152.8	-85.2	-28.5	0	0	0	107.2
162	K	22.9	Very low	23.8	Very low	198 Å²	198	160.7 Å²	160.7	86%	0.861	84%	0.839	S	S	*	*			trans	-79.2	156.2	167.6	-101.3	-177.2	175.9	177.6	0	110
163	P	27.4	Very low	23.8	Very low	122 Å²	122	165.2 Å²	165.2	79%	0.792	84%	0.844	S	S	*	*			trans	-99	134.1	-147.6	35.6	-30.3	0	0	0	112.8
164	E	26.7	Very low	23.6	Very low	197 Å²	197	166.2 Å²	166.2	92%	0.921	84%	0.84	S	S	*	*			trans	-104.8	136	159.7	-85.2	-172.1	155.7	0	0	110.5	R166	E164-R166 PolarHBondContact O-N 3.39Å
165	M	21.8	Very low	23.5	Very low	188 Å²	188	166.1 Å²	166.1	93%	0.926	84%	0.841	S	S	*	*			trans	-61.3	125.1	-175.2	-79.3	-172.2	-179.4	0	0	113.1
166	R	19.6	Very low	23.2	Very low	240 Å²	240	170 Å²	170	91%	0.906	84%	0.843	S	S	*	*			trans	21.3	110.7	130.1	-67.6	-179.5	174.3	-175.2	-2	116.9	E164	E164-R166 PolarHBondContact O-N 3.39Å
167	K	25	Very low	23	Very low	191 Å²	191	173.8 Å²	173.8	83%	0.83	85%	0.846	S	S	*	*			trans	-141.2	123.7	134.2	-81.4	-167.3	179	171.7	0	111.5
168	D	25	Very low	23	Very low	146 Å²	146	169.7 Å²	169.7	78%	0.781	84%	0.837	S	S	*	*			trans	72.7	88.3	144.4	-51.9	-28.3	0	0	0	120
169	I	21.7	Very low	22.8	Very low	169 Å²	169	168.5 Å²	168.5	87%	0.867	84%	0.836	S	S	*	*			trans	-63.8	124	151.3	-66.3	163.7	0	0	0	109.3
170	R	22.8	Very low	23	Very low	243 Å²	243	168.2 Å²	168.2	92%	0.917	83%	0.834	S	S	*	*			trans	-161.2	127.2	153	-114.5	-177.2	-103.7	-162.7	-2.6	111.6
171	G	23.9	Very low	22.9	Very low	74 Å²	74	172.1 Å²	172.1	76%	0.763	84%	0.838	S	S	*	*			trans	97.2	86.8	172	0	0	0	0	0	113
172	Y	21.5	Very low	22.7	Very low	209 Å²	209	171.4 Å²	171.4	82%	0.82	83%	0.833	S	S	*	*				71.7	120.6	60.6	-132.2	-100.4	0	0	0	114.4
173	E	22.4	Very low	22.8	Very low	155 Å²	155	166.6 Å²	166.6	72%	0.724	82%	0.824	S	S	*	*			trans	68.9	106.6	165.6	-75.5	168.8	167.8	0	0	118.6
174	K	19.9	Very low	22.5	Very low	189 Å²	189	168.6 Å²	168.6	82%	0.822	83%	0.828	S	S	*	*				47.8	100.6	75.4	-85.5	-170	175.2	-178.2	0	112.6
175	D	24.5	Very low	22.3	Very low	169 Å²	169	163.2 Å²	163.2	90%	0.904	82%	0.818	S	S	*	*				-146.8	115.4	126.3	-102.9	-29.6	0	0	0	110.3
176	E	19.5	Very low	22.4	Very low	175 Å²	175	159.8 Å²	159.8	82%	0.818	81%	0.807	S	S	*	*			trans	-79.8	130.3	164.5	-65.8	-169.9	155.8	0	0	108.3
177	R	22.6	Very low	22.5	Very low	238 Å²	238	158.7 Å²	158.7	90%	0.898	80%	0.803	S	S	*	*			trans	-163.7	104.6	144.5	-107.6	167.8	-154.8	-162.7	7.2	111.8
178	S	23.6	Very low	22.5	Very low	96 Å²	96	156.4 Å²	156.4	67%	0.671	80%	0.8	S	S	*	*				53.3	108.2	126.2	58.7	0	0	0	0	121.2
179	V	20.9	Very low	22.5	Very low	138 Å²	138	154.3 Å²	154.3	84%	0.836	80%	0.797	S	S	*	*				43.2	114.3	116.9	-172.5	0	0	0	0	119.3
180	S	25.7	Very low	22.6	Very low	109 Å²	109	150.6 Å²	150.6	76%	0.762	79%	0.786	S	S	*	*				154.8	111.7	123.7	51.1	0	0	0	0	109.7
181	K	19.9	Very low	22.7	Very low	198 Å²	198	147.4 Å²	147.4	86%	0.861	78%	0.778	S	S	*	*				59.2	111.2	97.1	-87.7	-169.6	-179.6	179.5	0	116.2
182	L	20.4	Very low	22.6	Very low	156 Å²	156	151 Å²	151	82%	0.817	78%	0.776	S	S	*	*			trans	79.4	139.5	141.6	-106.4	89.5	0	0	0	121.6
183	S	23.3	Very low	22.4	Very low	96 Å²	96	150 Å²	150	67%	0.671	78%	0.776	S	S	*	*			trans	78.5	111.7	154.1	57.1	0	0	0	0	119.6
184	D	22.7	Very low	22.6	Very low	165 Å²	165	148.5 Å²	148.5	88%	0.882	78%	0.777	S	S	*	*				41.1	98.5	127.5	-63.9	-25.7	0	0	0	117.8
185	A	22.6	Very low	22.7	Very low	84 Å²	84	146.5 Å²	146.5	69%	0.694	77%	0.77	S	S	*	*			trans	-153.7	118.7	151.7	0	0	0	0	0	112.1
186	T	23.2	Very low	22.7	Very low	115 Å²	115	144.2 Å²	144.2	71%	0.706	77%	0.768	S	S	*	*			trans	76.2	128.2	130.4	49.4	0	0	0	0	122.3
187	R	21.9	Very low	22.9	Very low	218 Å²	218	141.2 Å²	141.2	82%	0.823	77%	0.766	S	S	*	*				69.5	109.5	127	-74.8	175.2	164	160.4	-5.4	118.4
188	N	24.7	Very low	23	Very low	142 Å²	142	133.4 Å²	133.4	76%	0.759	76%	0.759	S	S	*	*				-178.3	125.9	93	-93.9	-22.9	0	0	0	108.4
189	S	24.2	Very low	23	Very low	103 Å²	103	132.1 Å²	132.1	72%	0.72	76%	0.761	S	S	*	*				70.3	128.5	102.9	120.1	0	0	0	0	111.3
190	S	24.2	Very low	23.1	Very low	90 Å²	90	132.7 Å²	132.7	63%	0.629	77%	0.765	S	S	*	*			cis	-174.8	151.1	27.2	-105	0	0	0	0	108.7
191	K	24.9	Very low	23.1	Very low	176 Å²	176	132.5 Å²	132.5	77%	0.765	76%	0.763	S	S	*	*			trans	68.9	138.8	144.3	-65.1	174.3	172.2	-176.4	0	117.8
192	E	21.5	Very low	23.3	Very low	151 Å²	151	130.1 Å²	130.1	71%	0.706	76%	0.76	S	S	*	*			cis	-163.5	123.9	0.1	-115.4	158.9	-154.8	0	0	104.7
193	F	18.3	Very low	23.8	Very low	188 Å²	188	128.8 Å²	128.8	83%	0.825	76%	0.758	S	S	*	*			trans	-85.8	119.1	164.5	-107.1	-103.3	0	0	0	106.7	H195	F193-H195 AromaticContact CD1-NE2 3.86Å
194	V	26.1	Very low	24	Very low	123 Å²	123	128.1 Å²	128.1	75%	0.745	75%	0.754	S	S	*	*			trans	-113.9	99.3	158	-176.8	0	0	0	0	107
195	H	22.4	Very low	24.2	Very low	146 Å²	146	129.4 Å²	129.4	68%	0.676	75%	0.751	S	S	*	*			trans	-57.7	129.2	158.7	-83.2	-80.3	0	0	0	109.2	F193	F193-H195 AromaticContact CD1-NE2 3.86Å
196	S	24.7	Very low	24.5	Very low	122 Å²	122	130.2 Å²	130.2	85%	0.853	75%	0.752	S	S	*	*			trans	-126.1	82.7	152.4	-77.7	0	0	0	0	107.5
197	S	24.2	Very low	24.7	Very low	112 Å²	112	131.9 Å²	131.9	78%	0.783	75%	0.751	S	S	*	*			trans	-81.1	106.6	158	49.3	0	0	0	0	107.4
198	G	23.7	Very low	25	Very low	74 Å²	74	132.1 Å²	132.1	76%	0.763	75%	0.752	S	S	*	*			trans	-155.5	114	177.3	0	0	0	0	0	111.4
199	G	23.2	Very low	25.2	Very low	69 Å²	69	131.5 Å²	131.5	71%	0.711	75%	0.749	S	S	*	*			trans	82.6	91.2	139.9	0	0	0	0	0	117.7	S201	G199-S201 PolarHBondContact O-N 2.77Å
200	V	23.2	Very low	25.5	Very low	150 Å²	150	136.4 Å²	136.4	91%	0.909	76%	0.758	S	S	*	*				5.4	111.9	126.7	-170.6	0	0	0	0	115
201	S	26.7	Very low	25.8	Very low	105 Å²	105	139.3 Å²	139.3	73%	0.734	76%	0.761	S	S	*	*			trans	-154.4	111.4	137.7	46.1	0	0	0	0	109.9	G199 V203	G199-S201 PolarHBondContact O-N 2.77Å; S201-V203 PolarHBondContact O-N 2.92Å
202	D	24.3	Very low	26.1	Very low	148 Å²	148	140.6 Å²	140.6	79%	0.791	77%	0.767	S	S	*	*			trans	-62.5	106.9	170.4	-163.6	-6.5	0	0	0	109
203	V	29.8	Very low	26.4	Very low	127 Å²	127	139.3 Å²	139.3	77%	0.77	76%	0.761	S	S	*	*			trans	-113.2	72.5	163	-174.4	0	0	0	0	107.7	S201	S201-V203 PolarHBondContact O-N 2.92Å
204	S	28.7	Very low	27.1	Very low	83 Å²	83	135 Å²	135	58%	0.58	75%	0.754	S	S	*	*				31.9	105.3	127.3	28.7	0	0	0	0	115.8	S206	S204-S206 PolarHBondContact O-N 3.31Å; S204-S206 VanDerWaalsContact O-N 3.11Å
205	K	26.7	Very low	27.5	Very low	192 Å²	192	138.8 Å²	138.8	84%	0.835	76%	0.755	S	S	*	*			trans	-14.8	107.1	141.6	-71.3	168.6	175.1	167.7	0	112.5
206	S	27.8	Very low	28.1	Very low	101 Å²	101	139.2 Å²	139.2	71%	0.706	76%	0.757	S	S	*	*			trans	-97.6	87.8	144.9	61.7	0	0	0	0	107.4	S204 R208	S204-S206 PolarHBondContact O-N 3.31Å; S204-S206 VanDerWaalsContact O-N 3.11Å; S206-R208 PolarHBondContact O-N 2.62Å
207	H	27.9	Very low	28.5	Very low	150 Å²	150	139.2 Å²	139.2	69%	0.694	76%	0.757	S	S	*	*			trans	-53.4	96.8	147.6	-98.7	-95	0	0	0	105.7	D209	H207-D209 PolarHBondContact O-N 2.9Å
208	R	28.9	Very low	28.9	Very low	223 Å²	223	139.8 Å²	139.8	84%	0.842	76%	0.755	S	S	*	*			trans	-74	96.1	157.9	-78.4	-167.5	-176.3	-170.5	1.9	105.4	S206 F210	S206-R208 PolarHBondContact O-N 2.62Å; R208-F210 VanDerWaalsContact C-N 3.28Å; R208-F210 PolarHBondContact O-N 2.99Å
209	D	28.9	Very low	29.6	Very low	129 Å²	129	141 Å²	141	69%	0.69	75%	0.753	S	S	*	*			trans	-41	96	159.1	-66.3	-44	0	0	0	108.7	H207 Q211	H207-D209 PolarHBondContact O-N 2.9Å; D209-Q211 HydrophobicContact CB-CG 4.42Å; D209-Q211 PolarHBondContact O-N 3.23Å
210	F	29.8	Very low	30.6	Very low	206 Å²	206	142.4 Å²	142.4	90%	0.904	75%	0.751	S	S	*	*			trans	-72.9	80.5	152.1	-115.9	-94.3	0	0	0	104.8	R208 K212	R208-F210 VanDerWaalsContact C-N 3.28Å; R208-F210 PolarHBondContact O-N 2.99Å; F210-K212 VanDerWaalsContact C-N 3.29Å; F210-K212 PolarHBondContact O-N 3.47Å
211	Q	29.8	Very low	31.5	Very low	151 Å²	151	140.6 Å²	140.6	71%	0.706	75%	0.745	S	S	*	*			trans	-45.5	107.3	156.7	-79.6	-176.7	-28.4	0	0	105.5	D209 E213	D209-Q211 HydrophobicContact CB-CG 4.42Å; D209-Q211 PolarHBondContact O-N 3.23Å; Q211-E213 PolarHBondContact O-N 3.39Å
212	K	31.1	Very low	32.4	Very low	203 Å²	203	146.3 Å²	146.3	88%	0.883	75%	0.751	S	S	*	*			trans	-69.4	74.8	169.1	-157.1	178	-171.4	179.6	0	104.7	F210 S214	F210-K212 VanDerWaalsContact C-N 3.29Å; F210-K212 PolarHBondContact O-N 3.47Å; K212-S214 PolarHBondContact O-N 3.33Å
213	E	28.4	Very low	33.5	Very low	124 Å²	124	149.2 Å²	149.2	58%	0.579	76%	0.757	S	S	*	*			trans	-53	110.9	167.6	-87	-169.6	164.5	0	0	105.5	Q211 R215	Q211-E213 PolarHBondContact O-N 3.39Å; E213-R215 HydrophobicContact CB-CG 4.46Å; E213-R215 PolarHBondContact O-N 3.13Å; E213-R215 IonicContact OE2-CZ 3.63Å; E213-R215 IonicContact OE2-NE 3.31Å; E213-R215 PolarHBondContact OE2-NE 3.4Å; E213-R215 IonicContact OE2-NH2 3.04Å; E213-R215 PolarHBondContact OE2-NH2 3.37Å
214	S	32.9	Very low	34.6	Very low	96 Å²	96	153 Å²	153	67%	0.671	76%	0.757	S	S	*	*			trans	-60.1	76.9	168	53.8	0	0	0	0	108.3	K212 H216	K212-S214 PolarHBondContact O-N 3.33Å; S214-H216 PolarHBondContact O-N 3.28Å
215	R	34.5	Very low	36.1	Very low	204 Å²	204	153.8 Å²	153.8	77%	0.77	76%	0.763	S	S	*	*			trans	-75.8	88	163.8	-68.4	-171.7	-175.2	-175.3	1.3	106	E213 S217	E213-R215 HydrophobicContact CB-CG 4.46Å; E213-R215 PolarHBondContact O-N 3.13Å; E213-R215 IonicContact OE2-CZ 3.63Å; E213-R215 IonicContact OE2-NE 3.31Å; E213-R215 PolarHBondContact OE2-NE 3.4Å; E213-R215 IonicContact OE2-NH2 3.04Å; E213-R215 PolarHBondContact OE2-NH2 3.37Å; R215-S217 PolarHBondContact O-N 3.18Å
216	H	34.7	Very low	37.6	Very low	155 Å²	155	150.2 Å²	150.2	72%	0.718	74%	0.744	S	S	*	*			trans	-32.5	110	159	-74.6	-78.4	0	0	0	109	S214 T218	S214-H216 PolarHBondContact O-N 3.28Å; H216-T218 PolarHBondContact O-N 3.22Å
217	S	33.3	Very low	39.9	Very low	122 Å²	122	148.2 Å²	148.2	85%	0.853	73%	0.733	S	S	*	*			trans	-68.3	79.1	171.5	61.1	0	0	0	0	108.1	R215	R215-S217 PolarHBondContact O-N 3.18Å
218	T	33.7	Very low	42.4	Very low	123 Å²	123	145.8 Å²	145.8	76%	0.755	73%	0.733	S	S	*	*			trans	-125.6	66.6	172.8	48.7	0	0	0	0	108.4	H216	H216-T218 PolarHBondContact O-N 3.22Å
219	S	37.7	Very low	45.1	Very low	101 Å²	101	138.7 Å²	138.7	71%	0.706	72%	0.717	S	S	*	*			trans	-161.4	112.7	138.9	-169.7	0	0	0	0	106.6	S221	S219-S221 PolarHBondContact O-N 3.41Å
220	S	43.8	Very low	47.7	Very low	98 Å²	98	136.3 Å²	136.3	69%	0.685	70%	0.702	S	S	*	*			trans	-44	92.5	154.5	149.7	0	0	0	0	107.9	R222	S220-R222 PolarHBondContact O-N 3.4Å
221	S	42.9	Very low	50.2	Low	112 Å²	112	132.3 Å²	132.3	78%	0.783	68%	0.684	S	S	*	*			trans	-61.3	85.5	154.2	-73.8	0	0	0	0	104.7	S219 K223	S219-S221 PolarHBondContact O-N 3.41Å; S221-K223 PolarHBondContact O-N 3.37Å
222	R	44.5	Very low	52.9	Low	225 Å²	225	130.6 Å²	130.6	85%	0.849	68%	0.676	S	S	*	*			trans	-41.7	109.7	169.7	-82.4	175.3	170.7	153.5	-3.7	104.3	S220 R224	S220-R222 PolarHBondContact O-N 3.4Å; R222-R224 PolarHBondContact O-N 2.96Å
223	K	48.5	Very low	55.6	Low	209 Å²	209	127.3 Å²	127.3	91%	0.909	66%	0.662	S	S	*	*			trans	-55	99.4	167.5	-86.1	177.9	175.9	173.7	0	103.9	S221 S225	S221-K223 PolarHBondContact O-N 3.37Å; K223-S225 PolarHBondContact O-N 3.09Å
224	R	52.5	Low	58.3	Low	206 Å²	206	128 Å²	128	78%	0.777	66%	0.659	S	S	*	*			trans	-55.7	109.9	177.8	-176.1	173	168.9	167.6	-4.7	104.4	R222 W226	R222-R224 PolarHBondContact O-N 2.96Å; R224-W226 PolarHBondContact O-N 3.47Å
225	S	59.6	Low	61	Low	100 Å²	100	128.3 Å²	128.3	70%	0.699	65%	0.653	S	S	*	*			trans	-60.5	111.4	174	179.5	0	0	0	0	105.2	K223 A227	K223-S225 PolarHBondContact O-N 3.09Å; S225-A227 PolarHBondContact O-N 2.83Å
226	W	58	Low	63.6	Low	117 Å²	117	123 Å²	123	44%	0.443	64%	0.639	S	S	.	*			trans	-54.9	129.8	177.5	-64	86	0	0	0	108.2	R224 E230 K231	R224-W226 PolarHBondContact O-N 3.47Å; W226-E230 HydrophobicContact CE3-CB 4.11Å; W226-E230 HydrophobicContact CE3-CG 3.56Å; W226-E230 VanDerWaalsContact CZ3-CD 3.44Å; W226-E230 HydrophobicContact CZ3-CG 3.9Å; W226-E230 VanDerWaalsContact CZ3-OE1 3.26Å; W226-E230 WeakPolarHBondContact CZ3-OE1 3.14Å; W226-K231 HydrophobicContact CB-CD 4.42Å; W226-K231 HydrophobicContact CB-CG 3.66Å; W226-K231 VanDerWaalsContact O-CE 3.3Å; W226-K231 WeakPolarHBondContact O-CE 3.47Å
227	A	77.3	Confident	66.2	Low	59 Å²	59	121.6 Å²	121.6	49%	0.488	63%	0.633	S	S	.	*			trans	-58.4	149.4	174.2	0	0	0	0	0	109.1	S225 C229 E230 K231	S225-A227 PolarHBondContact O-N 2.83Å; A227-C229 PolarHBondContact O-N 3.2Å; A227-E230 WeakPolarHBondContact O-CA 3.32Å; A227-E230 WeakPolarHBondContact O-CB 3.2Å; A227-E230 PolarHBondContact O-N 3.26Å; A227-K231 PolarHBondContact O-N 2.92Å; A227-K231 VanDerWaalsContact O-N 3.09Å
228	S	80.5	Confident	68.9	Low	98 Å²	98	122.1 Å²	122.1	69%	0.685	62%	0.624	S	S	*	*	H	α-helix	trans	-51.2	-43.9	-177.5	176.5	0	0	0	0	112.1	E230 K231 E232	S228-E230 VanDerWaalsContact C-N 3.32Å; S228-E230 PolarHBondContact O-N 3.21Å; S228-K231 PolarHBondContact O-N 3.31Å; S228-E232 PolarHBondContact O-N 2.99Å
229	C	85.7	Confident	71.5	Confident	75 Å²	75	120.4 Å²	120.4	51%	0.507	61%	0.613	S	S	.	*	H	α-helix	trans	-59.5	-36.4	175.2	-178.1	0	0	0	0	113.7	A227 E232 K233	A227-C229 PolarHBondContact O-N 3.2Å; C229-E232 PolarHBondContact O-N 3.29Å; C229-K233 WeakPolarHBondContact O-CG 3.41Å; C229-K233 PolarHBondContact O-N 2.82Å
230	E	83.1	Confident	73.9	Confident	79 Å²	79	122.5 Å²	122.5	37%	0.369	61%	0.612	S	S	.	*	H	α-helix	trans	-75.6	-34.2	-178.9	-148.6	171.9	-174	0	0	111.7	W226 A227 S228 R234	W226-E230 HydrophobicContact CE3-CB 4.11Å; W226-E230 HydrophobicContact CE3-CG 3.56Å; W226-E230 VanDerWaalsContact CZ3-CD 3.44Å; W226-E230 HydrophobicContact CZ3-CG 3.9Å; W226-E230 VanDerWaalsContact CZ3-OE1 3.26Å; W226-E230 WeakPolarHBondContact CZ3-OE1 3.14Å; A227-E230 WeakPolarHBondContact O-CA 3.32Å; A227-E230 WeakPolarHBondContact O-CB 3.2Å; A227-E230 PolarHBondContact O-N 3.26Å; S228-E230 VanDerWaalsContact C-N 3.32Å; S228-E230 PolarHBondContact O-N 3.21Å; E230-R234 WeakPolarHBondContact O-CB 3.2Å; E230-R234 PolarHBondContact O-N 3.43Å
231	K	82.2	Confident	76.2	Confident	121 Å²	121	121.1 Å²	121.1	53%	0.526	60%	0.596	S	S	.	*	H	α-helix	trans	-64.2	-42	170.5	-66.4	-179.9	-179.9	171.6	0	111.4	W226 A227 S228 R234 L235	W226-K231 HydrophobicContact CB-CD 4.42Å; W226-K231 HydrophobicContact CB-CG 3.66Å; W226-K231 VanDerWaalsContact O-CE 3.3Å; W226-K231 WeakPolarHBondContact O-CE 3.47Å; A227-K231 PolarHBondContact O-N 2.92Å; A227-K231 VanDerWaalsContact O-N 3.09Å; S228-K231 PolarHBondContact O-N 3.31Å; K231-R234 PolarHBondContact O-N 3.18Å; K231-L235 WeakPolarHBondContact O-CB 3.5Å; K231-L235 PolarHBondContact O-N 2.82Å
232	E	84.9	Confident	78.3	Confident	115 Å²	115	118.5 Å²	118.5	54%	0.537	58%	0.582	S	S	.	*	H	α-helix	trans	-66.7	-44	179.8	-169.7	175.4	-173	0	0	112.1	S228 C229 R234 L235 N236	S228-E232 PolarHBondContact O-N 2.99Å; C229-E232 PolarHBondContact O-N 3.29Å; E232-R234 VanDerWaalsContact C-N 3.32Å; E232-R234 PolarHBondContact O-N 3.47Å; E232-L235 WeakPolarHBondContact O-CB 3.43Å; E232-L235 PolarHBondContact O-N 2.94Å; E232-N236 PolarHBondContact O-N 3.47Å
233	K	87.9	Confident	80.5	Confident	135 Å²	135	111.4 Å²	111.4	59%	0.587	57%	0.566	S	S	*	*	H	α-helix	trans	-56.1	-46.7	172.5	-77.2	-177.5	-179.9	-176.1	0	112	C229 L235 N236 E237	C229-K233 WeakPolarHBondContact O-CG 3.41Å; C229-K233 PolarHBondContact O-N 2.82Å; K233-L235 VanDerWaalsContact C-N 3.34Å; K233-L235 PolarHBondContact O-N 2.9Å; K233-N236 PolarHBondContact O-N 2.71Å; K233-E237 WeakPolarHBondContact O-CG 3.48Å; K233-E237 PolarHBondContact O-N 3.42Å
234	R	86.7	Confident	82.6	Confident	138 Å²	138	108.4 Å²	108.4	52%	0.521	55%	0.55	S	S	.	.	H	α-helix	trans	-67.7	-33.8	-179.9	-162.2	169.9	-174.6	156.9	2.8	112.8	E230 K231 E232 M238	E230-R234 WeakPolarHBondContact O-CB 3.2Å; E230-R234 PolarHBondContact O-N 3.43Å; K231-R234 PolarHBondContact O-N 3.18Å; E232-R234 VanDerWaalsContact C-N 3.32Å; E232-R234 PolarHBondContact O-N 3.47Å; R234-M238 PolarHBondContact O-N 2.73Å
235	L	88.2	Confident	84.4	Confident	103 Å²	103	105.4 Å²	105.4	54%	0.539	54%	0.538	S	S	.	.	H	α-helix	trans	-64.9	-46.3	172.2	-178.6	64	0	0	0	110.9	K231 E232 K233 E237 M238 V239	K231-L235 WeakPolarHBondContact O-CB 3.5Å; K231-L235 PolarHBondContact O-N 2.82Å; E232-L235 WeakPolarHBondContact O-CB 3.43Å; E232-L235 PolarHBondContact O-N 2.94Å; K233-L235 VanDerWaalsContact C-N 3.34Å; K233-L235 PolarHBondContact O-N 2.9Å; L235-E237 PolarHBondContact O-N 2.94Å; L235-M238 WeakPolarHBondContact O-CB 3.34Å; L235-M238 PolarHBondContact O-N 3.36Å; L235-M238 VanDerWaalsContact O-N 3.17Å; L235-V239 WeakPolarHBondContact O-CG2 3.26Å; L235-V239 PolarHBondContact O-N 3.12Å
236	N	89.7	Confident	85.8	Confident	92 Å²	92	106.7 Å²	106.7	49%	0.492	53%	0.531	S	S	.	.	H	α-helix	trans	-61.9	-42.2	176.2	-81.3	-10.4	0	0	0	112.1	E232 K233 M238 V239 Q240	E232-N236 PolarHBondContact O-N 3.47Å; K233-N236 PolarHBondContact O-N 2.71Å; N236-M238 VanDerWaalsContact C-N 3.34Å; N236-M238 PolarHBondContact O-N 2.72Å; N236-V239 PolarHBondContact O-N 2.89Å; N236-Q240 WeakPolarHBondContact O-CB 3.41Å; N236-Q240 WeakPolarHBondContact O-CG 3.27Å; N236-Q240 PolarHBondContact O-N 2.79Å
237	E	90.4	Very high	87.4	Confident	126 Å²	126	105.5 Å²	105.5	59%	0.589	53%	0.531	S	S	*	.	H	α-helix	trans	-59.9	-42.4	172.7	-75.9	174.2	-175.3	0	0	111.9	K233 L235 Q240 N241	K233-E237 WeakPolarHBondContact O-CG 3.48Å; K233-E237 PolarHBondContact O-N 3.42Å; L235-E237 PolarHBondContact O-N 2.94Å; E237-Q240 PolarHBondContact O-N 3.29Å; E237-N241 WeakPolarHBondContact O-CB 3.34Å; E237-N241 PolarHBondContact O-N 3.49Å
238	M	88.2	Confident	88	Confident	132 Å²	132	105.7 Å²	105.7	65%	0.65	52%	0.521	S	S	*	.	H	α-helix	trans	-61.6	-43.8	174.7	-87.6	-177.2	60	0	0	112.1	R234 L235 N236 N241 A242	R234-M238 PolarHBondContact O-N 2.73Å; L235-M238 WeakPolarHBondContact O-CB 3.34Å; L235-M238 PolarHBondContact O-N 3.36Å; L235-M238 VanDerWaalsContact O-N 3.17Å; N236-M238 VanDerWaalsContact C-N 3.34Å; N236-M238 PolarHBondContact O-N 2.72Å; M238-N241 PolarHBondContact O-N 3.34Å; M238-A242 WeakPolarHBondContact O-CB 3.48Å; M238-A242 PolarHBondContact O-N 3.27Å
239	V	89.2	Confident	88.4	Confident	87 Å²	87	108.4 Å²	108.4	53%	0.527	52%	0.517	S	S	.	.	H	α-helix	trans	-65.5	-44.9	178.5	171.9	0	0	0	0	111.1	L235 N236 A242 S243	L235-V239 WeakPolarHBondContact O-CG2 3.26Å; L235-V239 PolarHBondContact O-N 3.12Å; N236-V239 PolarHBondContact O-N 2.89Å; V239-A242 PolarHBondContact O-N 3.33Å; V239-S243 PolarHBondContact O-N 2.89Å
240	Q	88.3	Confident	88.5	Confident	146 Å²	146	108.9 Å²	108.9	68%	0.682	51%	0.514	S	S	*	.	H	α-helix	trans	-63.6	-42.3	176.5	-74.3	-163.8	-12	0	0	112	N236 E237 A242 S243 W244	N236-Q240 WeakPolarHBondContact O-CB 3.41Å; N236-Q240 WeakPolarHBondContact O-CG 3.27Å; N236-Q240 PolarHBondContact O-N 2.79Å; E237-Q240 PolarHBondContact O-N 3.29Å; Q240-A242 VanDerWaalsContact C-N 3.34Å; Q240-A242 PolarHBondContact O-N 3.38Å; Q240-S243 PolarHBondContact O-N 3.36Å; Q240-W244 WeakPolarHBondContact O-CB 3.45Å; Q240-W244 PolarHBondContact O-N 2.92Å
241	N	92.1	Very high	88.7	Confident	68 Å²	68	110.4 Å²	110.4	36%	0.364	52%	0.519	S	S	.	.	H	α-helix	trans	-63.4	-40.4	175.7	-166.4	-31.1	0	0	0	111.5	E237 M238 W244 R245	E237-N241 WeakPolarHBondContact O-CB 3.34Å; E237-N241 PolarHBondContact O-N 3.49Å; M238-N241 PolarHBondContact O-N 3.34Å; N241-W244 PolarHBondContact O-N 3.43Å; N241-R245 WeakPolarHBondContact O-CG 3.35Å; N241-R245 PolarHBondContact O-N 3.05Å; N241-R245 PolarHBondContact OD1-NE 3.16Å; N241-R245 PolarHBondContact OD1-NH1 2.96Å; N241-R245 PolarHBondContact OD1-NH2 3.42Å
242	A	87.7	Confident	88.9	Confident	57 Å²	57	111.1 Å²	111.1	47%	0.471	53%	0.525	S	S	.	.	H	α-helix	trans	-63.2	-43.3	174.4	0	0	0	0	0	112.4	M238 V239 Q240 R245 K246	M238-A242 WeakPolarHBondContact O-CB 3.48Å; M238-A242 PolarHBondContact O-N 3.27Å; V239-A242 PolarHBondContact O-N 3.33Å; Q240-A242 VanDerWaalsContact C-N 3.34Å; Q240-A242 PolarHBondContact O-N 3.38Å; A242-R245 PolarHBondContact O-N 2.92Å; A242-K246 PolarHBondContact O-N 2.92Å
243	S	90.5	Very high	88.8	Confident	76 Å²	76	111.1 Å²	111.1	53%	0.531	53%	0.528	S	S	.	.	H	α-helix	trans	-61.7	-47.5	175.5	-169.4	0	0	0	0	111.5	V239 Q240 R245 K246 E247	V239-S243 PolarHBondContact O-N 2.89Å; Q240-S243 PolarHBondContact O-N 3.36Å; S243-R245 PolarHBondContact O-N 2.83Å; S243-K246 WeakPolarHBondContact O-CB 3.35Å; S243-K246 PolarHBondContact O-N 2.87Å; S243-K246 VanDerWaalsContact O-N 3.07Å; S243-E247 PolarHBondContact O-N 3.21Å
244	W	92.6	Very high	88.5	Confident	147 Å²	147	109.4 Å²	109.4	56%	0.557	53%	0.529	S	S	*	.	H	α-helix	trans	-58.9	-44.6	176.5	-178.1	86.7	0	0	0	112.1	Q240 N241 K246 E247 Q248	Q240-W244 WeakPolarHBondContact O-CB 3.45Å; Q240-W244 PolarHBondContact O-N 2.92Å; N241-W244 PolarHBondContact O-N 3.43Å; W244-K246 VanDerWaalsContact C-N 3.3Å; W244-K246 PolarHBondContact O-N 3.41Å; W244-E247 PolarHBondContact O-N 3.09Å; W244-Q248 HydrophobicContact CD2-CG 3.93Å; W244-Q248 HydrophobicContact CE3-CG 4.13Å; W244-Q248 HydrophobicContact CH2-CG 3.93Å; W244-Q248 HydrophobicContact CZ2-CG 3.71Å; W244-Q248 HydrophobicContact CZ3-CG 4.13Å; W244-Q248 WeakPolarHBondContact O-CG 3.32Å; W244-Q248 PolarHBondContact O-N 2.79Å
245	R	90	Very high	88.4	Confident	142 Å²	142	105.8 Å²	105.8	54%	0.536	53%	0.528	S	S	.	.	H	α-helix	trans	-62.8	-34.9	175.1	-73.3	-173.5	-174.3	114.8	-0.8	112.9	N241 A242 S243 R249	N241-R245 WeakPolarHBondContact O-CG 3.35Å; N241-R245 PolarHBondContact O-N 3.05Å; N241-R245 PolarHBondContact OD1-NE 3.16Å; N241-R245 PolarHBondContact OD1-NH1 2.96Å; N241-R245 PolarHBondContact OD1-NH2 3.42Å; A242-R245 PolarHBondContact O-N 2.92Å; S243-R245 PolarHBondContact O-N 2.83Å; R245-R249 WeakPolarHBondContact O-CB 3.36Å; R245-R249 WeakPolarHBondContact O-CG 3.36Å; R245-R249 PolarHBondContact O-N 2.87Å; R245-R249 VanDerWaalsContact O-N 3.08Å
246	K	89.4	Confident	88	Confident	128 Å²	128	107.9 Å²	107.9	56%	0.557	53%	0.534	S	S	*	.	H	α-helix	trans	-67.8	-43	175.2	-171.2	176.9	179.7	179.4	0	110.9	A242 S243 W244 R249 N250	A242-K246 PolarHBondContact O-N 2.92Å; S243-K246 WeakPolarHBondContact O-CB 3.35Å; S243-K246 PolarHBondContact O-N 2.87Å; S243-K246 VanDerWaalsContact O-N 3.07Å; W244-K246 VanDerWaalsContact C-N 3.3Å; W244-K246 PolarHBondContact O-N 3.41Å; K246-R249 PolarHBondContact O-N 2.96Å; K246-N250 PolarHBondContact O-N 3.45Å
247	E	90.1	Very high	87.5	Confident	92 Å²	92	105.5 Å²	105.5	43%	0.43	53%	0.527	S	S	.	.	H	α-helix	trans	-63.3	-44.9	176.4	-165.3	-169.4	161	0	0	112.1	S243 W244 R249 N250 K251	S243-E247 PolarHBondContact O-N 3.21Å; W244-E247 PolarHBondContact O-N 3.09Å; E247-R249 PolarHBondContact O-N 2.75Å; E247-N250 PolarHBondContact O-N 3.01Å; E247-K251 WeakPolarHBondContact O-CG 3.47Å; E247-K251 PolarHBondContact O-N 2.97Å; E247-K251 WeakPolarHBondContact OE1-CE 3.48Å; E247-K251 IonicContact OE1-NZ 2.82Å; E247-K251 PolarHBondContact OE1-NZ 3.05Å
248	Q	90.8	Very high	87	Confident	62 Å²	62	101.8 Å²	101.8	29%	0.29	52%	0.517	S	S	.	.	H	α-helix	trans	-62.2	-41.5	176.2	-67.8	-56.4	-45.7	0	0	112.1	W244 K251 Q252	W244-Q248 HydrophobicContact CD2-CG 3.93Å; W244-Q248 HydrophobicContact CE3-CG 4.13Å; W244-Q248 HydrophobicContact CH2-CG 3.93Å; W244-Q248 HydrophobicContact CZ2-CG 3.71Å; W244-Q248 HydrophobicContact CZ3-CG 4.13Å; W244-Q248 WeakPolarHBondContact O-CG 3.32Å; W244-Q248 PolarHBondContact O-N 2.79Å; Q248-K251 PolarHBondContact O-N 3.45Å; Q248-Q252 PolarHBondContact O-N 2.86Å
249	R	89	Confident	86.3	Confident	156 Å²	156	100.4 Å²	100.4	59%	0.589	51%	0.509	S	S	*	.	H	α-helix	trans	-61.3	-44.3	173.5	-80.3	-171.7	-66	173.9	-0.3	112	R245 K246 E247 Q252 L253	R245-R249 WeakPolarHBondContact O-CB 3.36Å; R245-R249 WeakPolarHBondContact O-CG 3.36Å; R245-R249 PolarHBondContact O-N 2.87Å; R245-R249 VanDerWaalsContact O-N 3.08Å; K246-R249 PolarHBondContact O-N 2.96Å; E247-R249 PolarHBondContact O-N 2.75Å; R249-Q252 PolarHBondContact O-N 3.23Å; R249-L253 WeakPolarHBondContact O-CB 3.47Å; R249-L253 VanDerWaalsContact O-CG 3.32Å; R249-L253 WeakPolarHBondContact O-CG 3.35Å; R249-L253 PolarHBondContact O-N 3.08Å
250	N	86.9	Confident	85.8	Confident	85 Å²	85	101.2 Å²	101.2	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-62.4	-44.9	177.5	-76.8	0.1	0	0	0	111.4	K246 E247 Q252 L253 T254	K246-N250 PolarHBondContact O-N 3.45Å; E247-N250 PolarHBondContact O-N 3.01Å; N250-Q252 PolarHBondContact O-N 3.1Å; N250-L253 PolarHBondContact O-N 2.86Å; N250-T254 PolarHBondContact O-N 2.81Å; N250-T254 PolarHBondContact O-OG1 2.97Å
251	K	89	Confident	85	Confident	110 Å²	110	101.2 Å²	101.2	48%	0.478	51%	0.505	S	S	.	.	H	α-helix	trans	-58.6	-44.6	175.2	-73.6	176.9	-176.5	168.2	0	112	E247 Q248 T254 A255	E247-K251 WeakPolarHBondContact O-CG 3.47Å; E247-K251 PolarHBondContact O-N 2.97Å; E247-K251 WeakPolarHBondContact OE1-CE 3.48Å; E247-K251 IonicContact OE1-NZ 2.82Å; E247-K251 PolarHBondContact OE1-NZ 3.05Å; Q248-K251 PolarHBondContact O-N 3.45Å; K251-T254 PolarHBondContact O-N 3.42Å; K251-A255 WeakPolarHBondContact O-CB 3.45Å; K251-A255 PolarHBondContact O-N 2.99Å
252	Q	85.7	Confident	84	Confident	137 Å²	137	102.1 Å²	102.1	64%	0.64	51%	0.51	S	S	*	.	H	α-helix	trans	-65.2	-42	176.3	-77.3	-178.7	-4.2	0	0	112.7	Q248 R249 N250 T254 A255 F256	Q248-Q252 PolarHBondContact O-N 2.86Å; R249-Q252 PolarHBondContact O-N 3.23Å; N250-Q252 PolarHBondContact O-N 3.1Å; Q252-T254 PolarHBondContact O-N 3.13Å; Q252-A255 PolarHBondContact O-N 2.93Å; Q252-F256 VanDerWaalsContact O-CB 3.3Å; Q252-F256 WeakPolarHBondContact O-CB 3.37Å; Q252-F256 PolarHBondContact O-N 3.16Å
253	L	81.9	Confident	83.2	Confident	115 Å²	115	104.9 Å²	104.9	60%	0.602	51%	0.513	S	S	*	.	H	α-helix	trans	-62.7	-41.7	176.1	-75.6	167.8	0	0	0	111.6	R249 N250 F256 A257	R249-L253 WeakPolarHBondContact O-CB 3.47Å; R249-L253 VanDerWaalsContact O-CG 3.32Å; R249-L253 WeakPolarHBondContact O-CG 3.35Å; R249-L253 PolarHBondContact O-N 3.08Å; N250-L253 PolarHBondContact O-N 2.86Å; L253-F256 PolarHBondContact O-N 3.41Å; L253-A257 VanDerWaalsContact O-CB 3.29Å; L253-A257 WeakPolarHBondContact O-CB 3.33Å; L253-A257 PolarHBondContact O-N 3.5Å
254	T	83.2	Confident	82.1	Confident	99 Å²	99	104.6 Å²	104.6	61%	0.607	51%	0.505	S	S	*	.	H	α-helix	trans	-65.5	-42.8	175.8	-49	0	0	0	0	111.5	N250 K251 Q252 A257 A258	N250-T254 PolarHBondContact O-N 2.81Å; N250-T254 PolarHBondContact O-OG1 2.97Å; K251-T254 PolarHBondContact O-N 3.42Å; Q252-T254 PolarHBondContact O-N 3.13Å; T254-A257 PolarHBondContact O-N 2.7Å; T254-A258 WeakPolarHBondContact O-CB 3.49Å; T254-A258 PolarHBondContact O-N 3.01Å
255	A	83.8	Confident	80.4	Confident	62 Å²	62	103.5 Å²	103.5	51%	0.512	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-40.6	176.5	0	0	0	0	0	112.3	K251 Q252 A258 H259	K251-A255 WeakPolarHBondContact O-CB 3.45Å; K251-A255 PolarHBondContact O-N 2.99Å; Q252-A255 PolarHBondContact O-N 2.93Å; A255-A258 PolarHBondContact O-N 3.21Å; A255-H259 WeakPolarHBondContact O-CB 3.23Å; A255-H259 PolarHBondContact O-N 2.94Å
256	F	80.5	Confident	78.8	Confident	147 Å²	147	104.4 Å²	104.4	65%	0.645	51%	0.509	S	S	*	.	H	α-helix	trans	-66.3	-44.2	176.8	-163.7	-89.6	0	0	0	111.3	Q252 L253 A258 H259 E260	Q252-F256 VanDerWaalsContact O-CB 3.3Å; Q252-F256 WeakPolarHBondContact O-CB 3.37Å; Q252-F256 PolarHBondContact O-N 3.16Å; L253-F256 PolarHBondContact O-N 3.41Å; F256-A258 VanDerWaalsContact C-N 3.3Å; F256-A258 PolarHBondContact O-N 2.91Å; F256-H259 PolarHBondContact O-N 3.4Å; F256-E260 WeakPolarHBondContact O-CB 3.39Å; F256-E260 PolarHBondContact O-N 2.9Å
257	A	79.3	Confident	77.1	Confident	42 Å²	42	103.1 Å²	103.1	35%	0.347	51%	0.505	S	S	.	.	H	α-helix	trans	-63.4	-34.9	175.3	0	0	0	0	0	112.5	L253 T254 K261	L253-A257 VanDerWaalsContact O-CB 3.29Å; L253-A257 WeakPolarHBondContact O-CB 3.33Å; L253-A257 PolarHBondContact O-N 3.5Å; T254-A257 PolarHBondContact O-N 2.7Å; A257-K261 WeakPolarHBondContact O-CB 3.21Å; A257-K261 VanDerWaalsContact O-CG 3.27Å; A257-K261 WeakPolarHBondContact O-CG 2.8Å; A257-K261 PolarHBondContact O-N 3.22Å; A257-K261 VanDerWaalsContact O-N 3.09Å
258	A	77.9	Confident	75.2	Confident	48 Å²	48	103.1 Å²	103.1	40%	0.397	50%	0.504	S	S	.	.	H	α-helix	trans	-67.7	-46.5	173.3	0	0	0	0	0	111.5	T254 A255 F256 E260 K261 D262	T254-A258 WeakPolarHBondContact O-CB 3.49Å; T254-A258 PolarHBondContact O-N 3.01Å; A255-A258 PolarHBondContact O-N 3.21Å; F256-A258 VanDerWaalsContact C-N 3.3Å; F256-A258 PolarHBondContact O-N 2.91Å; A258-E260 PolarHBondContact O-N 3.4Å; A258-K261 PolarHBondContact O-N 3.36Å; A258-D262 PolarHBondContact O-N 2.75Å
259	H	75.1	Confident	73.3	Confident	103 Å²	103	104.2 Å²	104.2	48%	0.477	52%	0.518	S	S	.	.	H	α-helix	trans	-63.5	-40.8	177.4	-172.2	-79.8	0	0	0	112.4	A255 F256 D262 E263	A255-H259 WeakPolarHBondContact O-CB 3.23Å; A255-H259 PolarHBondContact O-N 2.94Å; F256-H259 PolarHBondContact O-N 3.4Å; H259-D262 PolarHBondContact O-N 3.26Å; H259-E263 IonicContact CE1-OE2 2.72Å; H259-E263 IonicContact ND1-OE2 3.87Å; H259-E263 WeakPolarHBondContact O-CB 3.38Å; H259-E263 PolarHBondContact O-N 2.96Å
260	E	77.1	Confident	71.3	Confident	103 Å²	103	101.8 Å²	101.8	48%	0.481	53%	0.525	S	S	.	.	H	α-helix	trans	-63.5	-43.2	176.1	-176.1	176.1	-163.7	0	0	111.3	F256 A258 D262 E263 I264	F256-E260 WeakPolarHBondContact O-CB 3.39Å; F256-E260 PolarHBondContact O-N 2.9Å; A258-E260 PolarHBondContact O-N 3.4Å; E260-D262 PolarHBondContact O-N 3.4Å; E260-E263 PolarHBondContact O-N 3.48Å; E260-I264 HydrophobicContact CG-CD1 3.84Å; E260-I264 HydrophobicContact CG-CG1 4.49Å; E260-I264 WeakPolarHBondContact O-CB 3.15Å; E260-I264 WeakPolarHBondContact O-CD1 3.47Å; E260-I264 WeakPolarHBondContact O-CG1 3.35Å; E260-I264 PolarHBondContact O-N 2.86Å
261	K	72.9	Confident	69.2	Low	147 Å²	147	103.6 Å²	103.6	64%	0.639	53%	0.529	S	S	*	.	H	α-helix	trans	-59.5	-46.4	172.6	-77.4	178	-178.7	-176	0	111.5	A257 A258 I264 Q265	A257-K261 WeakPolarHBondContact O-CB 3.21Å; A257-K261 VanDerWaalsContact O-CG 3.27Å; A257-K261 WeakPolarHBondContact O-CG 2.8Å; A257-K261 PolarHBondContact O-N 3.22Å; A257-K261 VanDerWaalsContact O-N 3.09Å; A258-K261 PolarHBondContact O-N 3.36Å; K261-I264 PolarHBondContact O-N 3.03Å; K261-Q265 VanDerWaalsContact O-CB 3.24Å; K261-Q265 WeakPolarHBondContact O-CB 3.35Å; K261-Q265 PolarHBondContact O-N 3.02Å
262	D	71.6	Confident	67.8	Low	86 Å²	86	101.7 Å²	101.7	46%	0.46	54%	0.54	S	S	.	.	H	α-helix	trans	-65.9	-36.9	179.1	-76.3	-12.4	0	0	0	113.1	A258 H259 E260 Q265 R266	A258-D262 PolarHBondContact O-N 2.75Å; H259-D262 PolarHBondContact O-N 3.26Å; E260-D262 PolarHBondContact O-N 3.4Å; D262-Q265 PolarHBondContact O-N 2.91Å; D262-R266 WeakPolarHBondContact O-CB 3.32Å; D262-R266 WeakPolarHBondContact O-CG 3.43Å; D262-R266 PolarHBondContact O-N 3.14Å
263	E	71	Confident	67.2	Low	115 Å²	115	99 Å²	99	54%	0.537	53%	0.533	S	S	.	.	H	α-helix	trans	-70.6	-43.5	177.1	-171.8	171.6	-175.6	0	0	111	H259 E260 Q265 R266 E267	H259-E263 IonicContact CE1-OE2 2.72Å; H259-E263 IonicContact ND1-OE2 3.87Å; H259-E263 WeakPolarHBondContact O-CB 3.38Å; H259-E263 PolarHBondContact O-N 2.96Å; E260-E263 PolarHBondContact O-N 3.48Å; E263-Q265 VanDerWaalsContact C-N 3.31Å; E263-Q265 PolarHBondContact O-N 3.3Å; E263-R266 PolarHBondContact O-N 2.94Å; E263-E267 WeakPolarHBondContact O-CB 3.27Å; E263-E267 PolarHBondContact O-N 3.5Å
264	I	66.3	Low	67.1	Low	71 Å²	71	100.1 Å²	100.1	36%	0.364	53%	0.533	S	S	.	.	H	α-helix	trans	-60.9	-42.8	171.8	-69.3	169.2	0	0	0	110.1	E260 K261 E267 K268	E260-I264 HydrophobicContact CG-CD1 3.84Å; E260-I264 HydrophobicContact CG-CG1 4.49Å; E260-I264 WeakPolarHBondContact O-CB 3.15Å; E260-I264 WeakPolarHBondContact O-CD1 3.47Å; E260-I264 WeakPolarHBondContact O-CG1 3.35Å; E260-I264 PolarHBondContact O-N 2.86Å; K261-I264 PolarHBondContact O-N 3.03Å; I264-E267 PolarHBondContact O-N 3.3Å; I264-K268 HydrophobicContact CG2-CD 3.8Å; I264-K268 HydrophobicContact CG2-CG 4.4Å; I264-K268 VanDerWaalsContact O-CB 3.27Å; I264-K268 WeakPolarHBondContact O-CB 3.39Å; I264-K268 WeakPolarHBondContact O-CG 3.37Å; I264-K268 PolarHBondContact O-N 2.89Å
265	Q	57.1	Low	67.2	Low	123 Å²	123	96.6 Å²	96.6	58%	0.575	51%	0.511	S	S	*	.	H	α-helix	trans	-61.6	-46.4	176.2	-159.9	93.4	0.1	0	0	110.5	K261 D262 E263 K268 S269	K261-Q265 VanDerWaalsContact O-CB 3.24Å; K261-Q265 WeakPolarHBondContact O-CB 3.35Å; K261-Q265 PolarHBondContact O-N 3.02Å; D262-Q265 PolarHBondContact O-N 2.91Å; E263-Q265 VanDerWaalsContact C-N 3.31Å; E263-Q265 PolarHBondContact O-N 3.3Å; Q265-K268 PolarHBondContact O-N 2.83Å; Q265-S269 WeakPolarHBondContact O-CB 3.42Å; Q265-S269 PolarHBondContact O-N 3.17Å; Q265-S269 PolarHBondContact O-OG 3.47Å
266	R	55.8	Low	67.1	Low	162 Å²	162	98.1 Å²	98.1	61%	0.611	52%	0.515	S	S	*	.	H	α-helix	trans	-64.9	-42.5	177.9	-81.5	-174.4	-106.4	-159.8	-4.8	112.8	D262 E263 K268 S269 S270	D262-R266 WeakPolarHBondContact O-CB 3.32Å; D262-R266 WeakPolarHBondContact O-CG 3.43Å; D262-R266 PolarHBondContact O-N 3.14Å; E263-R266 PolarHBondContact O-N 2.94Å; R266-K268 VanDerWaalsContact C-N 3.32Å; R266-K268 PolarHBondContact O-N 3.31Å; R266-S269 PolarHBondContact O-N 3.43Å; R266-S270 WeakPolarHBondContact O-CB 3.25Å; R266-S270 PolarHBondContact O-N 3.07Å
267	E	55.1	Low	67.2	Low	101 Å²	101	95.7 Å²	95.7	47%	0.472	51%	0.509	S	S	.	.	H	α-helix	trans	-68.6	-32.1	177.3	-153.6	-162.2	148.9	0	0	111.9	E263 I264 K271	E263-E267 WeakPolarHBondContact O-CB 3.27Å; E263-E267 PolarHBondContact O-N 3.5Å; I264-E267 PolarHBondContact O-N 3.3Å; E267-K271 IonicContact OE1-NZ 2.86Å; E267-K271 PolarHBondContact OE1-NZ 3.48Å
268	K	49.9	Very low	67.5	Low	91 Å²	91	94.8 Å²	94.8	40%	0.396	50%	0.5	S	S	.	.	H	α-helix	trans	-71.6	-46.6	172.6	-74.4	173.1	179.4	176.9	0	111.8	I264 Q265 R266 S270 K271 G272	I264-K268 HydrophobicContact CG2-CD 3.8Å; I264-K268 HydrophobicContact CG2-CG 4.4Å; I264-K268 VanDerWaalsContact O-CB 3.27Å; I264-K268 WeakPolarHBondContact O-CB 3.39Å; I264-K268 WeakPolarHBondContact O-CG 3.37Å; I264-K268 PolarHBondContact O-N 2.89Å; Q265-K268 PolarHBondContact O-N 2.83Å; R266-K268 VanDerWaalsContact C-N 3.32Å; R266-K268 PolarHBondContact O-N 3.31Å; K268-S270 VanDerWaalsContact C-N 3.3Å; K268-S270 PolarHBondContact O-N 3.42Å; K268-K271 PolarHBondContact O-N 2.9Å; K268-G272 PolarHBondContact O-N 3.39Å
269	S	49.5	Very low	67.6	Low	86 Å²	86	97 Å²	97	60%	0.601	51%	0.513	S	S	*	.	H	α-helix	trans	-60.4	-37.5	174.8	-71.1	0	0	0	0	112.3	Q265 R266 K271 G272	Q265-S269 WeakPolarHBondContact O-CB 3.42Å; Q265-S269 PolarHBondContact O-N 3.17Å; Q265-S269 PolarHBondContact O-OG 3.47Å; R266-S269 PolarHBondContact O-N 3.43Å; S269-K271 PolarHBondContact O-N 2.97Å; S269-K271 VanDerWaalsContact O-N 3.15Å; S269-G272 PolarHBondContact O-N 3.12Å; S269-G272 VanDerWaalsContact O-N 3.11Å
270	S	47.3	Very low	68.2	Low	105 Å²	105	93.2 Å²	93.2	73%	0.734	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-18	174.6	-177.5	0	0	0	0	113.7	R266 K268	R266-S270 WeakPolarHBondContact O-CB 3.25Å; R266-S270 PolarHBondContact O-N 3.07Å; K268-S270 VanDerWaalsContact C-N 3.3Å; K268-S270 PolarHBondContact O-N 3.42Å
271	K	43.6	Very low	68.7	Low	123 Å²	123	91 Å²	91	54%	0.535	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-0.5	177.4	-68	173.5	-170.4	144.7	0	113	E267 K268 S269 V273	E267-K271 IonicContact OE1-NZ 2.86Å; E267-K271 PolarHBondContact OE1-NZ 3.48Å; K268-K271 PolarHBondContact O-N 2.9Å; S269-K271 PolarHBondContact O-N 2.97Å; S269-K271 VanDerWaalsContact O-N 3.15Å; K271-V273 PolarHBondContact O-N 2.87Å
272	G	58.1	Low	69.6	Low	69 Å²	69	85.8 Å²	85.8	71%	0.711	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	-12.8	-178.6	0	0	0	0	0	115.8	K268 S269	K268-G272 PolarHBondContact O-N 3.39Å; S269-G272 PolarHBondContact O-N 3.12Å; S269-G272 VanDerWaalsContact O-N 3.11Å
273	V	74.2	Confident	70.7	Confident	80 Å²	80	83.9 Å²	83.9	49%	0.485	47%	0.468	S	S	.	.			trans	-98.2	110.8	-178.7	-179.1	0	0	0	0	109.8	K271 P276	K271-V273 PolarHBondContact O-N 2.87Å; V273-P276 HydrophobicContact CG1-CB 4.26Å
274	K	79.6	Confident	71.9	Confident	139 Å²	139	78.4 Å²	78.4	60%	0.604	44%	0.442	S	S	*	.	S	Bend	trans	-72.8	-43.1	179.9	-68.4	179.4	-178.8	173.5	0	112.8	P276 A414	K274-P276 WeakPolarHBondContact O-CD 3.1Å; K274-A414 HydrophobicContact CB-CB 4.06Å; K274-A414 HydrophobicContact CD-CB 3.73Å; K274-A414 PolarHBondContact NZ-O 3.34Å; K274-A414 VanDerWaalsContact NZ-O 3.17Å
275	N	84.4	Confident	73.3	Confident	26 Å²	26	76.8 Å²	76.8	14%	0.139	44%	0.436	C	S	.	.			trans	-122.5	83.6	-175.8	-67.7	-45.7	0	0	0	110.7	D277 S278 R410 F411 A414	N275-D277 PolarHBondContact O-N 3.43Å; N275-D277 VanDerWaalsContact O-N 3.17Å; N275-S278 WeakPolarHBondContact O-CB 2.78Å; N275-S278 PolarHBondContact O-N 2.97Å; N275-S278 VanDerWaalsContact O-N 3.15Å; N275-R410 PolarHBondContact ND2-O 3.03Å; N275-R410 PolarHBondContact OD1-NH1 2.97Å; N275-R410 VanDerWaalsContact OD1-NH1 3.15Å; N275-F411 HydrophobicContact CB-CD1 3.76Å; N275-F411 HydrophobicContact CB-CE1 3.76Å; N275-A414 WeakPolarHBondContact ND2-CB 3.41Å
276	P	82.8	Confident	75.2	Confident	93 Å²	93	72.6 Å²	72.6	60%	0.604	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-11.2	-174.9	29.2	-36.4	0	0	0	114.4	V273 K274	V273-P276 HydrophobicContact CG1-CB 4.26Å; K274-P276 WeakPolarHBondContact O-CD 3.1Å
277	D	83.3	Confident	77.2	Confident	97 Å²	97	66.4 Å²	66.4	52%	0.519	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	4.5	177.9	60.7	-33.6	0	0	0	113.1	N275 S279 R410	N275-D277 PolarHBondContact O-N 3.43Å; N275-D277 VanDerWaalsContact O-N 3.17Å; D277-S279 PolarHBondContact O-N 2.96Å; D277-R410 IonicContact OD1-CZ 3.66Å; D277-R410 IonicContact OD1-NH1 3.56Å; D277-R410 PolarHBondContact OD1-NH1 3.49Å; D277-R410 IonicContact OD1-NH2 3.45Å; D277-R410 PolarHBondContact OD1-NH2 3.17Å; D277-R410 IonicContact OD2-CZ 3.26Å; D277-R410 IonicContact OD2-NH1 3.78Å; D277-R410 PolarHBondContact OD2-NH1 3.15Å; D277-R410 IonicContact OD2-NH2 3.36Å; D277-R410 PolarHBondContact OD2-NH2 3.48Å
278	S	84	Confident	79.2	Confident	23 Å²	23	67.8 Å²	67.8	16%	0.161	41%	0.407	C	S	.	.			trans	-62.3	133.6	168.8	-177.5	0	0	0	0	110	N275 I280 G281	N275-S278 WeakPolarHBondContact O-CB 2.78Å; N275-S278 PolarHBondContact O-N 2.97Å; N275-S278 VanDerWaalsContact O-N 3.15Å; S278-I280 PolarHBondContact O-N 3.24Å; S278-I280 PolarHBondContact OG-N 2.96Å; S278-G281 PolarHBondContact OG-N 2.81Å
279	S	81.3	Confident	81.4	Confident	95 Å²	95	63.6 Å²	63.6	66%	0.664	39%	0.39	S	S	*	.	S	Bend	trans	-65.7	-24.9	176.9	54.8	0	0	0	0	113.3	D277	D277-S279 PolarHBondContact O-N 2.96Å
280	I	87.3	Confident	83.7	Confident	23 Å²	23	59.8 Å²	59.8	12%	0.118	36%	0.362	C	S	.	.	S	Bend	trans	-118.3	-36.2	-176.6	-160.8	66.8	0	0	0	113	S278 V282 Y283 I300 Y304 P489 T490	S278-I280 PolarHBondContact O-N 3.24Å; S278-I280 PolarHBondContact OG-N 2.96Å; I280-V282 HydrophobicContact CG1-CG1 4.4Å; I280-V282 PolarHBondContact O-N 2.99Å; I280-Y283 HydrophobicContact CG2-CE1 4.48Å; I280-I300 HydrophobicContact CD1-CG2 3.31Å; I280-I300 HydrophobicContact CG1-CG2 4.05Å; I280-Y304 HydrophobicContact CD1-CD2 4.38Å; I280-Y304 HydrophobicContact CD1-CG 4.49Å; I280-P489 HydrophobicContact CD1-CB 4.44Å; I280-P489 HydrophobicContact CG1-CB 4.26Å; I280-P489 HydrophobicContact CG1-CG 4.32Å; I280-T490 HydrophobicContact CB-CG2 3.88Å; I280-T490 HydrophobicContact CD1-CG2 3.89Å; I280-T490 HydrophobicContact CG1-CG2 3.92Å; I280-T490 HydrophobicContact CG2-CG2 4.37Å
281	G	88.5	Confident	86	Confident	56 Å²	56	60 Å²	60	58%	0.577	35%	0.354	S	S	*	.			trans	69.8	-11	175.7	0	0	0	0	0	116.6	S278	S278-G281 PolarHBondContact OG-N 2.81Å
282	V	91.6	Very high	88.6	Confident	38 Å²	38	58.2 Å²	58.2	23%	0.23	35%	0.353	C	S	.	.			trans	-134.7	148.5	-179.3	69.3	0	0	0	0	111.1	I280 F297 I300 P489	I280-V282 HydrophobicContact CG1-CG1 4.4Å; I280-V282 PolarHBondContact O-N 2.99Å; V282-F297 HydrophobicContact CG1-CE1 4.25Å; V282-F297 HydrophobicContact CG2-CE1 4.08Å; V282-F297 HydrophobicContact CG2-CZ 4.23Å; V282-I300 HydrophobicContact CB-CD1 4.46Å; V282-I300 HydrophobicContact CG1-CD1 3.48Å; V282-I300 VanDerWaalsContact CG1-CD1 3.48Å; V282-I300 HydrophobicContact CG1-CG2 4.24Å; V282-P489 HydrophobicContact CG1-CG 4.45Å; V282-P489 WeakPolarHBondContact O-CD 3.46Å
283	Y	94.7	Very high	90.4	Very high	46 Å²	46	60 Å²	60	18%	0.18	34%	0.341	C	S	.	.			trans	-134.9	147.7	176.7	-61.6	-91.4	0	0	0	109.7	I280 F411 A415 F487 C488	I280-Y283 HydrophobicContact CG2-CE1 4.48Å; Y283-F411 WeakPolarHBondContact OH-CB 3.48Å; Y283-A415 HydrophobicContact CD2-CB 3.56Å; Y283-A415 HydrophobicContact CE2-CB 4.11Å; Y283-A415 HydrophobicContact CG-CB 4.02Å; Y283-F487 AromaticContact CD1-CD1 3.77Å; Y283-F487 HydrophobicContact CD1-CD1 3.77Å; Y283-F487 AromaticContact CD1-CE1 3.21Å; Y283-F487 HydrophobicContact CD1-CE1 3.21Å; Y283-F487 HydrophobicContact CD1-CE2 4.09Å; Y283-F487 HydrophobicContact CD1-CG 4.44Å; Y283-F487 AromaticContact CD1-CZ 3.39Å; Y283-F487 HydrophobicContact CD1-CZ 3.39Å; Y283-F487 HydrophobicContact CD2-CZ 4.2Å; Y283-F487 HydrophobicContact CE1-CD1 4.39Å; Y283-F487 AromaticContact CE1-CE1 3.75Å; Y283-F487 HydrophobicContact CE1-CE1 3.75Å; Y283-F487 HydrophobicContact CE1-CZ 4.22Å; Y283-F487 AromaticContact CG-CE1 3.76Å; Y283-F487 HydrophobicContact CG-CE1 3.76Å; Y283-F487 AromaticContact CG-CE2 3.91Å; Y283-F487 HydrophobicContact CG-CE2 3.91Å; Y283-F487 AromaticContact CG-CZ 3.38Å; Y283-F487 HydrophobicContact CG-CZ 3.38Å; Y283-C488 HydrophobicContact CD1-CB 4.02Å; Y283-C488 HydrophobicContact CE1-CB 4.02Å
284	A	96.3	Very high	91.5	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.342	C	S	.	.			trans	-85.7	129	174.1	0	0	0	0	0	108.8	Y290 F297 F352 F487	A284-Y290 HydrophobicContact CB-CD2 4.09Å; A284-Y290 HydrophobicContact CB-CE1 3.98Å; A284-Y290 HydrophobicContact CB-CE2 3.47Å; A284-Y290 VanDerWaalsContact CB-CE2 3.47Å; A284-F297 HydrophobicContact CB-CE1 4.11Å; A284-F297 HydrophobicContact CB-CE2 4.45Å; A284-F297 HydrophobicContact CB-CZ 3.78Å; A284-F352 HydrophobicContact CB-CD2 4.47Å; A284-F352 HydrophobicContact CB-CE2 4.18Å; A284-F352 VanDerWaalsContact O-CD2 3.29Å; A284-F352 WeakPolarHBondContact O-CD2 3.27Å; A284-F487 PolarHBondContact N-O 3.29Å; A284-F487 WeakPolarHBondContact O-CD2 3.36Å
285	P	96	Very high	92.3	Very high	37 Å²	37	63.1 Å²	63.1	24%	0.24	35%	0.351	C	S	.	.	S	Bend	trans	-80.8	-18.4	177.1	30.6	-36.1	0	0	0	114.2	S289 F352 P354 L355	P285-S289 VanDerWaalsContact CD-OG 3.31Å; P285-S289 WeakPolarHBondContact CD-OG 3.4Å; P285-S289 WeakPolarHBondContact CG-OG 3.39Å; P285-F352 WeakPolarHBondContact O-CA 3.24Å; P285-F352 WeakPolarHBondContact O-CB 3.36Å; P285-F352 PolarHBondContact O-N 3.5Å; P285-P354 HydrophobicContact CB-CB 4.14Å; P285-P354 HydrophobicContact CB-CG 4.44Å; P285-L355 HydrophobicContact CB-CD1 3.67Å; P285-L355 HydrophobicContact CB-CG 3.77Å; P285-L355 HydrophobicContact CG-CD1 4.15Å
286	D	97	Very high	92.8	Very high	34 Å²	34	66.3 Å²	66.3	18%	0.182	37%	0.367	C	S	.	.	S	Bend	trans	-156.7	172.8	177.7	53	50.9	0	0	0	110.5	E288 S289 P351 F352 L355	D286-E288 PolarHBondContact OD1-N 3.35Å; D286-S289 WeakPolarHBondContact O-CB 3.38Å; D286-S289 WeakPolarHBondContact OD1-CB 3.45Å; D286-S289 PolarHBondContact OD1-N 2.91Å; D286-S289 PolarHBondContact OD1-OG 2.88Å; D286-P351 HydrophobicContact CB-CB 4.11Å; D286-F352 VanDerWaalsContact CA-CD2 3.43Å; D286-F352 VanDerWaalsContact O-CE2 3.28Å; D286-F352 WeakPolarHBondContact O-CE2 3.16Å; D286-L355 WeakPolarHBondContact OD2-CD1 3.28Å
287	A	96.8	Very high	93.5	Very high	33 Å²	33	62.2 Å²	62.2	27%	0.273	34%	0.34	S	S	.	.	S	Bend	trans	-64.7	-38.9	179.4	0	0	0	0	0	113.1	S289 Y290 F352 L485	A287-S289 PolarHBondContact O-N 3.07Å; A287-Y290 PolarHBondContact O-N 2.88Å; A287-F352 HydrophobicContact CB-CZ 4.21Å; A287-L485 HydrophobicContact CB-CD1 3.51Å
288	E	96.4	Very high	94.1	Very high	129 Å²	129	58.6 Å²	58.6	60%	0.603	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.6	-177.4	179.9	173.1	-162.1	0	0	112.2	D286 Y290 I291 V292	D286-E288 PolarHBondContact OD1-N 3.35Å; E288-Y290 PolarHBondContact O-N 3.23Å; E288-I291 WeakPolarHBondContact O-CA 3.2Å; E288-I291 WeakPolarHBondContact O-CB 3.46Å; E288-I291 PolarHBondContact O-N 3.01Å; E288-V292 HydrophobicContact CG-CG2 3.59Å; E288-V292 PolarHBondContact O-N 3.43Å
289	S	97.3	Very high	94.7	Very high	3 Å²	3	61 Å²	61	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-56.5	-33.3	177.3	-68.1	0	0	0	0	113.4	P285 D286 A287 I291 F293 F297	P285-S289 VanDerWaalsContact CD-OG 3.31Å; P285-S289 WeakPolarHBondContact CD-OG 3.4Å; P285-S289 WeakPolarHBondContact CG-OG 3.39Å; D286-S289 WeakPolarHBondContact O-CB 3.38Å; D286-S289 WeakPolarHBondContact OD1-CB 3.45Å; D286-S289 PolarHBondContact OD1-N 2.91Å; D286-S289 PolarHBondContact OD1-OG 2.88Å; A287-S289 PolarHBondContact O-N 3.07Å; S289-I291 PolarHBondContact O-N 3.37Å; S289-F293 WeakPolarHBondContact O-CA 3.41Å; S289-F293 WeakPolarHBondContact O-CB 3.49Å; S289-F293 PolarHBondContact O-N 3.22Å; S289-F297 WeakPolarHBondContact O-CD2 3.41Å
290	Y	97.5	Very high	95.4	Very high	7 Å²	7	58.7 Å²	58.7	3%	0.027	32%	0.315	C	S	.	.	H	α-helix	trans	-66.3	-24.7	174.9	-73.4	-63.9	0	0	0	113.1	A284 A287 E288 K294 F297 I301 F352 L482 L485 S486 P489 L492	A284-Y290 HydrophobicContact CB-CD2 4.09Å; A284-Y290 HydrophobicContact CB-CE1 3.98Å; A284-Y290 HydrophobicContact CB-CE2 3.47Å; A284-Y290 VanDerWaalsContact CB-CE2 3.47Å; A287-Y290 PolarHBondContact O-N 2.88Å; E288-Y290 PolarHBondContact O-N 3.23Å; Y290-K294 WeakPolarHBondContact O-CB 3.44Å; Y290-F297 HydrophobicContact CD1-CB 4.03Å; Y290-F297 AromaticContact CD1-CD1 3.94Å; Y290-F297 HydrophobicContact CD1-CD1 3.94Å; Y290-F297 HydrophobicContact CD1-CD2 4.17Å; Y290-F297 HydrophobicContact CD1-CE1 4.47Å; Y290-F297 AromaticContact CD1-CG 3.78Å; Y290-F297 HydrophobicContact CD1-CG 3.78Å; Y290-F297 HydrophobicContact CE1-CB 4.49Å; Y290-F297 AromaticContact CE1-CD1 3.67Å; Y290-F297 HydrophobicContact CE1-CD1 3.67Å; Y290-F297 AromaticContact CE1-CE1 4Å; Y290-F297 HydrophobicContact CE1-CE1 4Å; Y290-F297 HydrophobicContact CE1-CG 4.02Å; Y290-I301 HydrophobicContact CD1-CD1 4.21Å; Y290-I301 HydrophobicContact CE1-CD1 4.31Å; Y290-F352 HydrophobicContact CE2-CE2 4.22Å; Y290-L482 HydrophobicContact CD1-CD1 4.11Å; Y290-L482 HydrophobicContact CG-CD1 3.93Å; Y290-L485 HydrophobicContact CD2-CD2 4.1Å; Y290-L485 HydrophobicContact CE2-CD2 4.46Å; Y290-S486 WeakPolarHBondContact CE2-O 3.34Å; Y290-S486 PolarHBondContact OH-O 3.42Å; Y290-P489 HydrophobicContact CE1-CG 4.3Å; Y290-L492 HydrophobicContact CD1-CD1 4.29Å; Y290-L492 HydrophobicContact CE1-CD1 3.67Å; Y290-L492 HydrophobicContact CE1-CD2 4.36Å; Y290-L492 HydrophobicContact CE1-CG 4.46Å; Y290-L492 HydrophobicContact CE2-CD2 3.88Å
291	I	95.9	Very high	95.8	Very high	110 Å²	110	57.6 Å²	57.6	56%	0.564	31%	0.31	S	S	*	.	H	α-helix	trans	-90.9	-52.6	179.3	-57.5	171.7	0	0	0	109.9	E288 S289 K294	E288-I291 WeakPolarHBondContact O-CA 3.2Å; E288-I291 WeakPolarHBondContact O-CB 3.46Å; E288-I291 PolarHBondContact O-N 3.01Å; S289-I291 PolarHBondContact O-N 3.37Å; I291-K294 WeakPolarHBondContact O-CB 3.27Å; I291-K294 PolarHBondContact O-N 3.26Å
292	V	97.4	Very high	96.2	Very high	84 Å²	84	59.5 Å²	59.5	51%	0.509	30%	0.304	S	S	.	.	H	α-helix	trans	-66.3	-41.7	-175.7	172.8	0	0	0	0	111.3	E288	E288-V292 HydrophobicContact CG-CG2 3.59Å; E288-V292 PolarHBondContact O-N 3.43Å
293	F	96.7	Very high	96.4	Very high	107 Å²	107	62.5 Å²	62.5	47%	0.469	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	30.7	-179.5	-51.2	-70	0	0	0	112.1	S289 E295 I296 F297	S289-F293 WeakPolarHBondContact O-CA 3.41Å; S289-F293 WeakPolarHBondContact O-CB 3.49Å; S289-F293 PolarHBondContact O-N 3.22Å; F293-E295 PolarHBondContact O-N 2.98Å; F293-E295 VanDerWaalsContact O-N 3.12Å; F293-I296 WeakPolarHBondContact O-CA 3.49Å; F293-I296 WeakPolarHBondContact O-CB 3.18Å; F293-I296 PolarHBondContact O-N 3.37Å; F293-F297 HydrophobicContact CB-CD2 3.94Å; F293-F297 HydrophobicContact CB-CE2 4.02Å; F293-F297 WeakPolarHBondContact O-CD2 3.39Å; F293-F297 PolarHBondContact O-N 3.27Å
294	K	96.2	Very high	96.4	Very high	113 Å²	113	64.9 Å²	64.9	49%	0.491	34%	0.335	S	S	.	.	H	α-helix	trans	-53.6	-32.6	178.3	69.9	-179	-178	-179.6	0	113.2	Y290 I291 I296 F297 D298	Y290-K294 WeakPolarHBondContact O-CB 3.44Å; I291-K294 WeakPolarHBondContact O-CB 3.27Å; I291-K294 PolarHBondContact O-N 3.26Å; K294-I296 PolarHBondContact O-N 3.09Å; K294-F297 PolarHBondContact O-N 2.9Å; K294-D298 WeakPolarHBondContact O-CB 3.35Å; K294-D298 PolarHBondContact O-N 2.74Å
295	E	96	Very high	96.3	Very high	171 Å²	171	66.2 Å²	66.2	80%	0.799	34%	0.34	S	S	*	.	H	α-helix	trans	-63.7	-22.2	177.1	-63.7	-177.3	176.1	0	0	113	F293 P299	F293-E295 PolarHBondContact O-N 2.98Å; F293-E295 VanDerWaalsContact O-N 3.12Å; E295-P299 WeakPolarHBondContact O-CD 3.29Å; E295-P299 WeakPolarHBondContact O-CG 3.33Å
296	I	95.6	Very high	96.3	Very high	94 Å²	94	72.4 Å²	72.4	48%	0.482	37%	0.366	S	S	.	.	H	α-helix	trans	-94.5	-46.9	173.4	-60.8	174.8	0	0	0	110.3	F293 K294 I300	F293-I296 WeakPolarHBondContact O-CA 3.49Å; F293-I296 WeakPolarHBondContact O-CB 3.18Å; F293-I296 PolarHBondContact O-N 3.37Å; K294-I296 PolarHBondContact O-N 3.09Å; I296-I300 HydrophobicContact CG2-CD1 4.11Å; I296-I300 VanDerWaalsContact O-CD1 3.28Å; I296-I300 WeakPolarHBondContact O-CD1 3.41Å; I296-I300 VanDerWaalsContact O-CG1 3.3Å; I296-I300 WeakPolarHBondContact O-CG1 3.17Å
297	F	97	Very high	96.3	Very high	7 Å²	7	71.2 Å²	71.2	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-74.7	-40.1	-174.2	-77.1	-69.6	0	0	0	113.7	V282 A284 S289 Y290 F293 K294 I300 I301 P489	V282-F297 HydrophobicContact CG1-CE1 4.25Å; V282-F297 HydrophobicContact CG2-CE1 4.08Å; V282-F297 HydrophobicContact CG2-CZ 4.23Å; A284-F297 HydrophobicContact CB-CE1 4.11Å; A284-F297 HydrophobicContact CB-CE2 4.45Å; A284-F297 HydrophobicContact CB-CZ 3.78Å; S289-F297 WeakPolarHBondContact O-CD2 3.41Å; Y290-F297 HydrophobicContact CD1-CB 4.03Å; Y290-F297 AromaticContact CD1-CD1 3.94Å; Y290-F297 HydrophobicContact CD1-CD1 3.94Å; Y290-F297 HydrophobicContact CD1-CD2 4.17Å; Y290-F297 HydrophobicContact CD1-CE1 4.47Å; Y290-F297 AromaticContact CD1-CG 3.78Å; Y290-F297 HydrophobicContact CD1-CG 3.78Å; Y290-F297 HydrophobicContact CE1-CB 4.49Å; Y290-F297 AromaticContact CE1-CD1 3.67Å; Y290-F297 HydrophobicContact CE1-CD1 3.67Å; Y290-F297 AromaticContact CE1-CE1 4Å; Y290-F297 HydrophobicContact CE1-CE1 4Å; Y290-F297 HydrophobicContact CE1-CG 4.02Å; F293-F297 HydrophobicContact CB-CD2 3.94Å; F293-F297 HydrophobicContact CB-CE2 4.02Å; F293-F297 WeakPolarHBondContact O-CD2 3.39Å; F293-F297 PolarHBondContact O-N 3.27Å; K294-F297 PolarHBondContact O-N 2.9Å; F297-I300 WeakPolarHBondContact O-CB 3.32Å; F297-I300 PolarHBondContact O-N 3Å; F297-I300 VanDerWaalsContact O-N 3.13Å; F297-I301 HydrophobicContact CB-CD1 4.13Å; F297-I301 WeakPolarHBondContact O-CB 3.44Å; F297-I301 VanDerWaalsContact O-CG1 3.24Å; F297-I301 WeakPolarHBondContact O-CG1 3.48Å; F297-I301 PolarHBondContact O-N 2.82Å; F297-P489 HydrophobicContact CD1-CG 3.97Å; F297-P489 HydrophobicContact CE1-CG 3.81Å
298	D	96.9	Very high	96.3	Very high	20 Å²	20	70.1 Å²	70.1	11%	0.107	35%	0.351	C	S	.	.	H	α-helix	trans	-60.7	-47.6	-176.1	-75.4	-16	0	0	0	112.6	K294 I300 I301 E302 R481	K294-D298 WeakPolarHBondContact O-CB 3.35Å; K294-D298 PolarHBondContact O-N 2.74Å; D298-I300 PolarHBondContact O-N 2.94Å; D298-I301 PolarHBondContact O-N 3.4Å; D298-E302 WeakPolarHBondContact O-CB 3.48Å; D298-E302 PolarHBondContact O-N 3.33Å; D298-R481 VanDerWaalsContact CG-NH2 3.27Å; D298-R481 IonicContact OD1-CZ 3.7Å; D298-R481 IonicContact OD1-NH1 2.95Å; D298-R481 PolarHBondContact OD1-NH1 3.25Å; D298-R481 IonicContact OD1-NH2 3.53Å; D298-R481 PolarHBondContact OD1-NH2 2.9Å; D298-R481 IonicContact OD2-CZ 2.99Å; D298-R481 IonicContact OD2-NH1 2.98Å; D298-R481 PolarHBondContact OD2-NH1 3.12Å; D298-R481 IonicContact OD2-NH2 3.42Å
299	P	96.6	Very high	96.2	Very high	74 Å²	74	66.8 Å²	66.8	48%	0.481	34%	0.341	S	S	.	.	H	α-helix	trans	-61.7	-32.2	175.9	-24.4	35.1	0	0	0	113.4	E295 C303	E295-P299 WeakPolarHBondContact O-CD 3.29Å; E295-P299 WeakPolarHBondContact O-CG 3.33Å; P299-C303 WeakPolarHBondContact O-CB 3.3Å; P299-C303 PolarHBondContact O-N 2.92Å
300	I	95.7	Very high	96.1	Very high	46 Å²	46	74.2 Å²	74.2	24%	0.236	38%	0.38	C	S	.	.	H	α-helix	trans	-73.6	-44.2	179.5	-67.9	174.5	0	0	0	110.4	I280 V282 I296 F297 D298 C303 Y304	I280-I300 HydrophobicContact CD1-CG2 3.31Å; I280-I300 HydrophobicContact CG1-CG2 4.05Å; V282-I300 HydrophobicContact CB-CD1 4.46Å; V282-I300 HydrophobicContact CG1-CD1 3.48Å; V282-I300 VanDerWaalsContact CG1-CD1 3.48Å; V282-I300 HydrophobicContact CG1-CG2 4.24Å; I296-I300 HydrophobicContact CG2-CD1 4.11Å; I296-I300 VanDerWaalsContact O-CD1 3.28Å; I296-I300 WeakPolarHBondContact O-CD1 3.41Å; I296-I300 VanDerWaalsContact O-CG1 3.3Å; I296-I300 WeakPolarHBondContact O-CG1 3.17Å; F297-I300 WeakPolarHBondContact O-CB 3.32Å; F297-I300 PolarHBondContact O-N 3Å; F297-I300 VanDerWaalsContact O-N 3.13Å; D298-I300 PolarHBondContact O-N 2.94Å; I300-C303 PolarHBondContact O-N 3.16Å; I300-Y304 WeakPolarHBondContact O-CB 3.26Å; I300-Y304 PolarHBondContact O-N 2.87Å
301	I	96.8	Very high	96	Very high	1 Å²	1	76 Å²	76	1%	0.005	39%	0.394	C	S	.	.	H	α-helix	trans	-62.6	-45.3	175.4	-69.3	165.4	0	0	0	109.9	Y290 F297 D298 Y304 H305 F307 L482 L492 M547	Y290-I301 HydrophobicContact CD1-CD1 4.21Å; Y290-I301 HydrophobicContact CE1-CD1 4.31Å; F297-I301 HydrophobicContact CB-CD1 4.13Å; F297-I301 WeakPolarHBondContact O-CB 3.44Å; F297-I301 VanDerWaalsContact O-CG1 3.24Å; F297-I301 WeakPolarHBondContact O-CG1 3.48Å; F297-I301 PolarHBondContact O-N 2.82Å; D298-I301 PolarHBondContact O-N 3.4Å; I301-Y304 PolarHBondContact O-N 2.92Å; I301-H305 WeakPolarHBondContact O-CA 3.46Å; I301-H305 WeakPolarHBondContact O-CB 3.4Å; I301-H305 PolarHBondContact O-N 3.36Å; I301-F307 HydrophobicContact CG2-CB 4.2Å; I301-F307 HydrophobicContact CG2-CD1 4.2Å; I301-L482 HydrophobicContact CD1-CD1 4.43Å; I301-L482 HydrophobicContact CD1-CD2 4.14Å; I301-L492 HydrophobicContact CD1-CD1 3.63Å; I301-L492 HydrophobicContact CG1-CD1 3.96Å; I301-M547 HydrophobicContact CG2-CE 4.22Å; I301-M547 HydrophobicContact CG2-SD 3.78Å
302	E	96.8	Very high	96.1	Very high	96 Å²	96	79.2 Å²	79.2	45%	0.449	40%	0.399	S	S	.	.	H	α-helix	trans	-63.3	-42.4	177	-176.3	170.7	-161.1	0	0	111.8	D298 H306 F307	D298-E302 WeakPolarHBondContact O-CB 3.48Å; D298-E302 PolarHBondContact O-N 3.33Å; E302-H306 WeakPolarHBondContact O-CA 3.28Å; E302-H306 PolarHBondContact O-N 3.44Å; E302-F307 WeakPolarHBondContact CA-O 3.49Å
303	C	95.3	Very high	96.1	Very high	100 Å²	100	75.8 Å²	75.8	68%	0.676	38%	0.377	S	S	*	.	H	α-helix	trans	-65.1	-41.4	178.3	-177	0	0	0	0	112.8	P299 I300	P299-C303 WeakPolarHBondContact O-CB 3.3Å; P299-C303 PolarHBondContact O-N 2.92Å; I300-C303 PolarHBondContact O-N 3.16Å
304	Y	94.1	Very high	96.2	Very high	97 Å²	97	72.7 Å²	72.7	38%	0.38	37%	0.368	S	S	.	.	H	α-helix	trans	-83.9	-45.1	-176.2	-172.3	-87.4	0	0	0	113.2	I280 I300 I301 T490	I280-Y304 HydrophobicContact CD1-CD2 4.38Å; I280-Y304 HydrophobicContact CD1-CG 4.49Å; I300-Y304 WeakPolarHBondContact O-CB 3.26Å; I300-Y304 PolarHBondContact O-N 2.87Å; I301-Y304 PolarHBondContact O-N 2.92Å; Y304-T490 HydrophobicContact CD1-CG2 4.19Å; Y304-T490 HydrophobicContact CD2-CG2 4.12Å; Y304-T490 HydrophobicContact CE1-CG2 3.85Å; Y304-T490 HydrophobicContact CE2-CG2 3.77Å; Y304-T490 HydrophobicContact CG-CG2 4.32Å
305	H	95.3	Very high	96.3	Very high	27 Å²	27	71 Å²	71	13%	0.125	38%	0.375	C	S	.	.	H	α-helix	trans	-100.9	-5.1	-173.6	-66.2	-74	0	0	0	114	I301 F307 P489 T490 M547	I301-H305 WeakPolarHBondContact O-CA 3.46Å; I301-H305 WeakPolarHBondContact O-CB 3.4Å; I301-H305 PolarHBondContact O-N 3.36Å; H305-F307 HydrophobicContact CB-CB 3.89Å; H305-F307 PolarHBondContact O-N 3.27Å; H305-P489 PolarHBondContact NE2-O 3.16Å; H305-T490 PolarHBondContact CE1-O 2.9Å; H305-T490 VanDerWaalsContact CE1-O 3.3Å; H305-M547 HydrophobicContact CB-CB 4.29Å; H305-M547 HydrophobicContact CB-CG 4.31Å; H305-M547 HydrophobicContact CB-SD 4.01Å; H305-M547 VanDerWaalsContact CD2-SD 3.52Å
306	H	95.2	Very high	96.3	Very high	168 Å²	168	67.4 Å²	67.4	78%	0.778	36%	0.357	S	S	*	.			trans	55.1	34.7	-168.7	-53.1	-59.2	0	0	0	112.2	E302	E302-H306 WeakPolarHBondContact O-CA 3.28Å; E302-H306 PolarHBondContact O-N 3.44Å
307	F	96.8	Very high	96.4	Very high	8 Å²	8	65.3 Å²	65.3	4%	0.035	35%	0.347	C	S	.	.			trans	-114.9	99.1	-175.4	-168.5	-88.5	0	0	0	110.1	I301 E302 H305 S311 R312 R481 L482 M547	I301-F307 HydrophobicContact CG2-CB 4.2Å; I301-F307 HydrophobicContact CG2-CD1 4.2Å; E302-F307 WeakPolarHBondContact CA-O 3.49Å; H305-F307 HydrophobicContact CB-CB 3.89Å; H305-F307 PolarHBondContact O-N 3.27Å; F307-S311 WeakPolarHBondContact CE1-O 3.23Å; F307-S311 WeakPolarHBondContact CZ-O 3.38Å; F307-R312 VanDerWaalsContact CZ-C 3.46Å; F307-R481 HydrophobicContact CE1-CG 4.31Å; F307-R481 WeakPolarHBondContact CE1-O 3.49Å; F307-R481 WeakPolarHBondContact CZ-O 3.5Å; F307-L482 HydrophobicContact CE1-CD2 4.33Å; F307-M547 HydrophobicContact CB-CB 4.24Å; F307-M547 HydrophobicContact CB-CE 4.49Å; F307-M547 HydrophobicContact CB-SD 4.24Å; F307-M547 HydrophobicContact CD1-CE 3.47Å; F307-M547 VanDerWaalsContact CD1-CE 3.47Å; F307-M547 HydrophobicContact CD1-SD 4.27Å; F307-M547 HydrophobicContact CD2-CB 3.73Å; F307-M547 HydrophobicContact CD2-CE 4.27Å; F307-M547 HydrophobicContact CE1-CE 3.59Å; F307-M547 HydrophobicContact CE2-CB 4.26Å; F307-M547 HydrophobicContact CE2-CE 4.36Å; F307-M547 HydrophobicContact CG-CB 4.03Å; F307-M547 HydrophobicContact CG-CE 3.82Å; F307-M547 HydrophobicContact CG-SD 4.18Å; F307-M547 HydrophobicContact CZ-CE 4.03Å
308	G	95.9	Very high	96.4	Very high	10 Å²	10	65.6 Å²	65.6	10%	0.103	35%	0.348	C	S	.	.			trans	-76.2	173.2	-172.3	0	0	0	0	0	114.4	N310 S311	G308-N310 PolarHBondContact O-N 3.06Å; G308-N310 VanDerWaalsContact O-N 3.16Å; G308-S311 PolarHBondContact N-OG 3.36Å; G308-S311 WeakPolarHBondContact O-CB 3.5Å; G308-S311 PolarHBondContact O-N 3.38Å
309	P	94.4	Very high	96.3	Very high	60 Å²	60	64.7 Å²	64.7	39%	0.39	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.5	-179.3	22.2	-33	0	0	0	114.8	R481	P309-R481 PolarHBondContact O-NE 2.94Å; P309-R481 VanDerWaalsContact O-NE 3.09Å
310	N	95.2	Very high	96.2	Very high	158 Å²	158	66.6 Å²	66.6	85%	0.845	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-7.4	178.9	-61.5	-36.5	0	0	0	113.3	G308	G308-N310 PolarHBondContact O-N 3.06Å; G308-N310 VanDerWaalsContact O-N 3.16Å
311	S	96.8	Very high	96.2	Very high	46 Å²	46	70.4 Å²	70.4	32%	0.322	37%	0.37	S	S	.	.			trans	-71.1	148	175.1	-59.5	0	0	0	0	110	F307 G308 R481	F307-S311 WeakPolarHBondContact CE1-O 3.23Å; F307-S311 WeakPolarHBondContact CZ-O 3.38Å; G308-S311 PolarHBondContact N-OG 3.36Å; G308-S311 WeakPolarHBondContact O-CB 3.5Å; G308-S311 PolarHBondContact O-N 3.38Å; S311-R481 WeakPolarHBondContact O-CG 3.42Å
312	R	97.6	Very high	96.2	Very high	177 Å²	177	73.2 Å²	73.2	67%	0.668	38%	0.381	S	S	*	.			trans	-128.4	141.4	178	-72.3	-178.2	172.3	-93.4	0.2	110.8	F307 R481	F307-R312 VanDerWaalsContact CZ-C 3.46Å; R312-R481 HydrophobicContact CG-CG 4.47Å
313	Q	98.1	Very high	96.2	Very high	11 Å²	11	69 Å²	69	5%	0.051	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-70.4	137.7	173.2	-172.5	67.7	3.4	0	0	108.9	R481 I549	Q313-R481 VanDerWaalsContact CB-O 3.28Å; Q313-R481 WeakPolarHBondContact CB-O 3.28Å; Q313-R481 PolarHBondContact N-O 3.09Å; Q313-I549 PolarHBondContact NE2-O 2.86Å
314	P	98	Very high	96.3	Very high	43 Å²	43	69 Å²	69	28%	0.279	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-56.9	163.7	169.8	-26.3	36.6	0	0	0	112.7	R478 T550	P314-R478 PolarHBondContact O-NH2 3.39Å; P314-T550 HydrophobicContact CB-CG2 3.74Å; P314-T550 HydrophobicContact CG-CG2 4.39Å
315	A	97.6	Very high	96.4	Very high	77 Å²	77	68.5 Å²	68.5	64%	0.636	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-56.9	149.1	168.7	0	0	0	0	0	110.3	D317	A315-D317 PolarHBondContact O-N 3.03Å
316	F	96.8	Very high	96.5	Very high	95 Å²	95	67.2 Å²	67.2	42%	0.417	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-59.9	124.9	176.4	168.6	-116.8	0	0	0	110.2	L318 W484 E551	F316-L318 HydrophobicContact CE2-CD1 3.7Å; F316-L318 HydrophobicContact CE2-CG 3.79Å; F316-L318 HydrophobicContact CZ-CD1 3.44Å; F316-L318 VanDerWaalsContact CZ-CD1 3.44Å; F316-L318 HydrophobicContact CZ-CG 3.93Å; F316-W484 HydrophobicContact CB-CZ2 4.09Å; F316-W484 HydrophobicContact CD1-CZ2 4.16Å; F316-W484 AromaticContact CD2-CE2 3.74Å; F316-W484 AromaticContact CD2-CZ2 3.44Å; F316-W484 HydrophobicContact CD2-CZ2 3.44Å; F316-W484 VanDerWaalsContact CD2-CZ2 3.44Å; F316-W484 AromaticContact CD2-NE1 3.45Å; F316-W484 HydrophobicContact CE1-CZ2 4.45Å; F316-W484 AromaticContact CE2-CZ2 3.78Å; F316-W484 HydrophobicContact CE2-CZ2 3.78Å; F316-W484 AromaticContact CE2-NE1 3.91Å; F316-W484 AromaticContact CG-CZ2 3.62Å; F316-W484 HydrophobicContact CG-CZ2 3.62Å; F316-W484 HydrophobicContact CZ-CZ2 4.26Å; F316-E551 VanDerWaalsContact CD2-CD 3.4Å; F316-E551 HydrophobicContact CD2-CG 4.13Å; F316-E551 WeakPolarHBondContact CD2-OE1 3.49Å; F316-E551 WeakPolarHBondContact CD2-OE2 3.24Å; F316-E551 HydrophobicContact CE2-CG 4.06Å
317	D	97.7	Very high	96.4	Very high	51 Å²	51	62.9 Å²	62.9	27%	0.273	34%	0.338	S	S	.	.			trans	-158.5	107	-174.9	178.6	9.9	0	0	0	111	A315 G319 R322 T550 E551 F552	A315-D317 PolarHBondContact O-N 3.03Å; D317-G319 WeakPolarHBondContact OD1-CA 3.38Å; D317-G319 PolarHBondContact OD1-N 3.45Å; D317-R322 IonicContact OD1-NH2 3.68Å; D317-R322 PolarHBondContact OD1-NH2 2.9Å; D317-R322 IonicContact OD2-CZ 2.82Å; D317-R322 IonicContact OD2-NH1 3.06Å; D317-R322 IonicContact OD2-NH2 2.69Å; D317-R322 PolarHBondContact OD2-NH2 3.07Å; D317-T550 HydrophobicContact CB-CG2 3.97Å; D317-E551 PolarHBondContact N-OE2 3.11Å; D317-E551 WeakPolarHBondContact O-CB 3.21Å; D317-E551 PolarHBondContact O-N 2.94Å; D317-F552 PolarHBondContact O-N 3.01Å
318	L	96.5	Very high	96.3	Very high	12 Å²	12	65.6 Å²	65.6	6%	0.063	36%	0.355	C	S	.	.			trans	-92.2	2.5	174	-76.8	162.9	0	0	0	113.3	F316 L460 I464 L467 I496 E551 F552	F316-L318 HydrophobicContact CE2-CD1 3.7Å; F316-L318 HydrophobicContact CE2-CG 3.79Å; F316-L318 HydrophobicContact CZ-CD1 3.44Å; F316-L318 VanDerWaalsContact CZ-CD1 3.44Å; F316-L318 HydrophobicContact CZ-CG 3.93Å; L318-L460 HydrophobicContact CD2-CD1 4.04Å; L318-I464 HydrophobicContact CB-CD1 3.84Å; L318-I464 HydrophobicContact CB-CG1 3.62Å; L318-I464 HydrophobicContact CD1-CG1 3.82Å; L318-I464 HydrophobicContact CD2-CG1 4.47Å; L318-I464 HydrophobicContact CG-CG1 4.18Å; L318-L467 HydrophobicContact CD1-CD1 3.66Å; L318-I496 HydrophobicContact CD2-CD1 4.25Å; L318-E551 HydrophobicContact CD2-CB 3.36Å; L318-E551 HydrophobicContact CD2-CG 4.01Å; L318-E551 HydrophobicContact CG-CB 3.84Å; L318-E551 HydrophobicContact CG-CG 4.28Å; L318-F552 WeakPolarHBondContact O-CD2 3.36Å
319	G	96.1	Very high	96.3	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.01	35%	0.352	C	S	.	.			trans	65.2	43.2	173.8	0	0	0	0	0	114.3	D317 D321 R322 L323	D317-G319 WeakPolarHBondContact OD1-CA 3.38Å; D317-G319 PolarHBondContact OD1-N 3.45Å; G319-D321 PolarHBondContact O-N 3.45Å; G319-R322 CarbonylContact O-C 3.58Å; G319-R322 PolarHBondContact O-N 2.92Å; G319-L323 PolarHBondContact O-N 2.71Å
320	L	93.9	Very high	96.4	Very high	114 Å²	114	63 Å²	63	60%	0.597	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-54	-36.3	177.3	-179.2	63.2	0	0	0	112.3	R322 L323 I464	L320-R322 VanDerWaalsContact C-N 3.32Å; L320-L323 HydrophobicContact CD1-CD1 4.06Å; L320-I464 HydrophobicContact CD1-CD1 4.49Å; L320-I464 HydrophobicContact CD1-CG2 4.12Å
321	D	95.7	Very high	96.4	Very high	126 Å²	126	60.6 Å²	60.6	67%	0.674	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-79.7	-8.5	177.8	65.8	-32.5	0	0	0	114.2	G319	G319-D321 PolarHBondContact O-N 3.45Å
322	R	97.2	Very high	96.3	Very high	61 Å²	61	65.3 Å²	65.3	23%	0.23	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-122.4	13.8	-174.4	-68.4	173.9	-66.1	163.9	10.2	113.2	D317 G319 L320 D324 Q325 F552	D317-R322 IonicContact OD1-NH2 3.68Å; D317-R322 PolarHBondContact OD1-NH2 2.9Å; D317-R322 IonicContact OD2-CZ 2.82Å; D317-R322 IonicContact OD2-NH1 3.06Å; D317-R322 IonicContact OD2-NH2 2.69Å; D317-R322 PolarHBondContact OD2-NH2 3.07Å; G319-R322 CarbonylContact O-C 3.58Å; G319-R322 PolarHBondContact O-N 2.92Å; L320-R322 VanDerWaalsContact C-N 3.32Å; R322-D324 VanDerWaalsContact C-OD1 3.26Å; R322-D324 WeakPolarHBondContact CA-OD1 3.4Å; R322-D324 PolarHBondContact O-N 3.27Å; R322-D324 VanDerWaalsContact O-N 3.15Å; R322-Q325 HydrophobicContact CB-CG 4.34Å; R322-Q325 WeakPolarHBondContact O-CB 3.41Å; R322-Q325 WeakPolarHBondContact O-CG 3.4Å; R322-Q325 PolarHBondContact O-N 3.24Å; R322-F552 HydrophobicContact CB-CE1 4.05Å; R322-F552 HydrophobicContact CB-CE2 4.1Å; R322-F552 HydrophobicContact CB-CZ 3.68Å; R322-F552 WeakPolarHBondContact O-CZ 3.37Å
323	L	96.7	Very high	96.1	Very high	8 Å²	8	59.3 Å²	59.3	4%	0.042	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-60.1	-21.7	177.2	-72.2	179.4	0	0	0	113.1	G319 L320 Q325 L326 R457 L460 D461 I464	G319-L323 PolarHBondContact O-N 2.71Å; L320-L323 HydrophobicContact CD1-CD1 4.06Å; L323-Q325 VanDerWaalsContact C-N 3.25Å; L323-Q325 PolarHBondContact O-N 2.83Å; L323-L326 HydrophobicContact CD2-CD1 4.49Å; L323-L326 PolarHBondContact O-N 3.01Å; L323-R457 HydrophobicContact CB-CG 4.26Å; L323-R457 VanDerWaalsContact O-CD 3.3Å; L323-R457 WeakPolarHBondContact O-CD 3.36Å; L323-L460 HydrophobicContact CD2-CB 4.26Å; L323-L460 HydrophobicContact CD2-CD2 3.7Å; L323-L460 HydrophobicContact CD2-CG 3.94Å; L323-D461 HydrophobicContact CD1-CB 4.04Å; L323-I464 HydrophobicContact CD1-CD1 4.43Å; L323-I464 HydrophobicContact CD2-CD1 4.05Å
324	D	95.8	Very high	96	Very high	100 Å²	100	64 Å²	64	54%	0.535	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-66.7	-21.7	173.5	66.2	-52.2	0	0	0	114.3	R322 L326 R457	R322-D324 VanDerWaalsContact C-OD1 3.26Å; R322-D324 WeakPolarHBondContact CA-OD1 3.4Å; R322-D324 PolarHBondContact O-N 3.27Å; R322-D324 VanDerWaalsContact O-N 3.15Å; D324-L326 PolarHBondContact O-N 3.01Å; D324-R457 VanDerWaalsContact CA-NH1 3.31Å
325	Q	96.8	Very high	96	Very high	85 Å²	85	62.3 Å²	62.3	40%	0.397	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-71.7	-13.7	173.2	-55.2	-177.6	16.8	0	0	113	R322 L323 F552	R322-Q325 HydrophobicContact CB-CG 4.34Å; R322-Q325 WeakPolarHBondContact O-CB 3.41Å; R322-Q325 WeakPolarHBondContact O-CG 3.4Å; R322-Q325 PolarHBondContact O-N 3.24Å; L323-Q325 VanDerWaalsContact C-N 3.25Å; L323-Q325 PolarHBondContact O-N 2.83Å; Q325-F552 HydrophobicContact CB-CZ 4.31Å
326	L	96.9	Very high	96	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.318	C	S	.	.			trans	-103.2	85.8	-179.7	-56.8	176.9	0	0	0	109	L323 D324 V456 R457 L460 F552 V555 K556 Y559	L323-L326 HydrophobicContact CD2-CD1 4.49Å; L323-L326 PolarHBondContact O-N 3.01Å; D324-L326 PolarHBondContact O-N 3.01Å; L326-V456 HydrophobicContact CD1-CG1 4.31Å; L326-R457 HydrophobicContact CB-CB 4.1Å; L326-R457 WeakPolarHBondContact O-CB 3.08Å; L326-L460 HydrophobicContact CD1-CD2 3.61Å; L326-F552 HydrophobicContact CD1-CE2 3.94Å; L326-F552 HydrophobicContact CG-CE2 4.21Å; L326-V555 HydrophobicContact CD1-CG1 4.25Å; L326-K556 HydrophobicContact CD2-CD 3.65Å; L326-Y559 HydrophobicContact CB-CE2 4.43Å; L326-Y559 HydrophobicContact CD2-CD1 3.96Å; L326-Y559 HydrophobicContact CD2-CD2 3.86Å; L326-Y559 HydrophobicContact CD2-CE1 4.5Å; L326-Y559 HydrophobicContact CD2-CE2 4.39Å; L326-Y559 HydrophobicContact CD2-CG 3.63Å
327	C	93.1	Very high	95.9	Very high	78 Å²	78	57.6 Å²	57.6	53%	0.527	31%	0.313	S	S	.	.			trans	-69.7	171.8	173.2	-67.4	0	0	0	0	111	L329 Y559	C327-L329 PolarHBondContact O-N 3.22Å; C327-L329 VanDerWaalsContact O-N 3.16Å; C327-Y559 WeakPolarHBondContact CB-OH 3.23Å; C327-Y559 PolarHBondContact N-OH 3.31Å; C327-Y559 VanDerWaalsContact N-OH 3.07Å; C327-Y559 VanDerWaalsContact O-CE2 3.27Å; C327-Y559 WeakPolarHBondContact O-CE2 3.48Å
328	T	96	Very high	95.9	Very high	64 Å²	64	55.2 Å²	55.2	39%	0.393	30%	0.3	S	S	.	.			trans	-70	115	169.2	-64.6	0	0	0	0	108.6	N455	T328-N455 HydrophobicContact CG2-CB 4.3Å
329	L	96	Very high	95.9	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.037	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-68	139.3	168.3	-64.9	176.3	0	0	0	108.2	C327 I336 G454 V456 Y559 V562	C327-L329 PolarHBondContact O-N 3.22Å; C327-L329 VanDerWaalsContact O-N 3.16Å; L329-I336 HydrophobicContact CB-CD1 3.38Å; L329-I336 HydrophobicContact CD1-CD1 4.1Å; L329-I336 HydrophobicContact CG-CD1 4.39Å; L329-G454 PolarHBondContact N-O 3.38Å; L329-G454 VanDerWaalsContact O-CA 3.28Å; L329-G454 WeakPolarHBondContact O-CA 3.23Å; L329-V456 HydrophobicContact CD1-CG2 3.88Å; L329-V456 HydrophobicContact CG-CG2 4.38Å; L329-Y559 HydrophobicContact CD1-CD2 3.65Å; L329-Y559 HydrophobicContact CD1-CE2 4.02Å; L329-Y559 HydrophobicContact CD1-CG 4.35Å; L329-Y559 HydrophobicContact CD2-CD2 3.8Å; L329-Y559 HydrophobicContact CD2-CE1 4.37Å; L329-Y559 HydrophobicContact CD2-CE2 3.38Å; L329-Y559 HydrophobicContact CD2-CG 4.44Å; L329-Y559 HydrophobicContact CG-CD2 3.62Å; L329-Y559 HydrophobicContact CG-CE2 3.43Å; L329-Y559 VanDerWaalsContact CG-CE2 3.43Å; L329-V562 HydrophobicContact CD1-CB 4.02Å; L329-V562 HydrophobicContact CD1-CG1 3.77Å
330	D	96.4	Very high	96	Very high	10 Å²	10	55.9 Å²	55.9	5%	0.053	30%	0.302	C	S	.	.	S	Bend	trans	50.1	64.8	177.2	-177.4	34.4	0	0	0	113.6	E332 G333 K334 Y335 I336 I566	D330-E332 PolarHBondContact O-N 2.72Å; D330-E332 VanDerWaalsContact O-N 3.12Å; D330-G333 PolarHBondContact O-N 2.94Å; D330-G333 PolarHBondContact OD1-N 3.38Å; D330-G333 VanDerWaalsContact OD2-C 3.23Å; D330-G333 WeakPolarHBondContact OD2-CA 3.18Å; D330-K334 PolarHBondContact OD1-N 2.95Å; D330-K334 VanDerWaalsContact OD1-N 3.08Å; D330-K334 PolarHBondContact OD2-N 3.27Å; D330-Y335 HydrophobicContact CB-CD2 4.48Å; D330-Y335 WeakPolarHBondContact OD1-CD2 3.42Å; D330-Y335 WeakPolarHBondContact OD2-CA 3.18Å; D330-Y335 PolarHBondContact OD2-N 3.15Å; D330-I336 HydrophobicContact CB-CB 4.3Å; D330-I336 HydrophobicContact CB-CD1 4Å; D330-I336 HydrophobicContact CB-CG1 4.03Å; D330-I336 PolarHBondContact OD2-N 3.4Å; D330-I566 HydrophobicContact CB-CD1 4.14Å
331	P	94.7	Very high	96.2	Very high	106 Å²	106	50.5 Å²	50.5	69%	0.688	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.7	-178.5	25.9	-35.3	0	0	0	113.6	G333	P331-G333 VanDerWaalsContact C-N 3.33Å
332	E	94.4	Very high	96.3	Very high	146 Å²	146	46.9 Å²	46.9	68%	0.682	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-13.6	175.7	-66.4	166.6	-151.8	0	0	112.6	D330 K334	D330-E332 PolarHBondContact O-N 2.72Å; D330-E332 VanDerWaalsContact O-N 3.12Å; E332-K334 VanDerWaalsContact C-N 3.29Å; E332-K334 PolarHBondContact O-N 3.43Å
333	G	94.6	Very high	96.3	Very high	51 Å²	51	44 Å²	44	53%	0.526	24%	0.24	S	C	.	.			trans	66.2	27.4	-178.3	0	0	0	0	0	114	D330 P331	D330-G333 PolarHBondContact O-N 2.94Å; D330-G333 PolarHBondContact OD1-N 3.38Å; D330-G333 VanDerWaalsContact OD2-C 3.23Å; D330-G333 WeakPolarHBondContact OD2-CA 3.18Å; P331-G333 VanDerWaalsContact C-N 3.33Å
334	K	95.9	Very high	96.4	Very high	108 Å²	108	43.8 Å²	43.8	47%	0.47	24%	0.239	S	C	.	.	S	Bend	trans	-80.8	-33.4	-175.4	-178.3	176.3	170.6	-165.4	0	113	D330 E332 E573	D330-K334 PolarHBondContact OD1-N 2.95Å; D330-K334 VanDerWaalsContact OD1-N 3.08Å; D330-K334 PolarHBondContact OD2-N 3.27Å; E332-K334 VanDerWaalsContact C-N 3.29Å; E332-K334 PolarHBondContact O-N 3.43Å; K334-E573 WeakPolarHBondContact CE-OE1 3.35Å; K334-E573 IonicContact NZ-OE1 2.69Å; K334-E573 PolarHBondContact NZ-OE1 2.67Å; K334-E573 IonicContact NZ-OE2 3.15Å; K334-E573 PolarHBondContact NZ-OE2 3.01Å
335	Y	97	Very high	96.5	Very high	8 Å²	8	39.2 Å²	39.2	3%	0.031	21%	0.214	C	C	.	.	S	Bend	trans	-113.9	-48.7	-172.2	-50	-81.7	0	0	0	111.9	D330 I502 K503 L504 I566 E569 K570 E573	D330-Y335 HydrophobicContact CB-CD2 4.48Å; D330-Y335 WeakPolarHBondContact OD1-CD2 3.42Å; D330-Y335 WeakPolarHBondContact OD2-CA 3.18Å; D330-Y335 PolarHBondContact OD2-N 3.15Å; Y335-I502 CarbonylContact O-C 3.58Å; Y335-I502 WeakPolarHBondContact O-CA 3.46Å; Y335-K503 PolarHBondContact O-N 3.28Å; Y335-L504 HydrophobicContact CD1-CD2 4.24Å; Y335-I566 HydrophobicContact CD2-CG1 4.49Å; Y335-I566 HydrophobicContact CD2-CG2 3.86Å; Y335-I566 HydrophobicContact CE2-CG2 3.98Å; Y335-I566 HydrophobicContact CG-CG1 4.48Å; Y335-I566 HydrophobicContact CG-CG2 4.49Å; Y335-E569 HydrophobicContact CD1-CG 4.04Å; Y335-E569 HydrophobicContact CE1-CB 4.36Å; Y335-E569 HydrophobicContact CE1-CG 3.65Å; Y335-K570 HydrophobicContact CE2-CD 4.43Å; Y335-K570 HydrophobicContact CE2-CG 4.18Å; Y335-K570 WeakPolarHBondContact OH-CG 3.47Å; Y335-E573 PolarHBondContact OH-OE2 3.12Å
336	I	97.6	Very high	96.6	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	119.8	-173.9	-60.3	175.5	0	0	0	110.2	L329 D330 G453 V500 I502 V562 I566	L329-I336 HydrophobicContact CB-CD1 3.38Å; L329-I336 HydrophobicContact CD1-CD1 4.1Å; L329-I336 HydrophobicContact CG-CD1 4.39Å; D330-I336 HydrophobicContact CB-CB 4.3Å; D330-I336 HydrophobicContact CB-CD1 4Å; D330-I336 HydrophobicContact CB-CG1 4.03Å; D330-I336 PolarHBondContact OD2-N 3.4Å; I336-G453 WeakPolarHBondContact CG2-O 3.45Å; I336-V500 HydrophobicContact CD1-CG1 4.48Å; I336-V500 HydrophobicContact CG2-CB 4.29Å; I336-V500 HydrophobicContact CG2-CG1 4.4Å; I336-I502 HydrophobicContact CG1-CB 4.43Å; I336-I502 HydrophobicContact CG1-CD1 3.82Å; I336-I502 HydrophobicContact CG1-CG1 3.94Å; I336-V562 HydrophobicContact CD1-CG1 3.97Å; I336-I566 HydrophobicContact CD1-CD1 3.89Å; I336-I566 HydrophobicContact CG1-CD1 4.15Å
337	Q	95.9	Very high	96.7	Very high	68 Å²	68	35.5 Å²	35.5	32%	0.318	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	-41.8	175.8	-62.1	-176.2	3.6	0	0	112	W3 T452 G453 H501	W3-Q337 HydrophobicContact CH2-CB 4.07Å; W3-Q337 HydrophobicContact CZ2-CB 4.09Å; Q337-T452 WeakPolarHBondContact O-CA 3.21Å; Q337-G453 PolarHBondContact O-N 2.85Å; Q337-H501 PolarHBondContact N-O 2.9Å
338	S	96.1	Very high	96.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	152.9	-177.9	63.2	0	0	0	0	112	Q451 G453 V500 H501	S338-Q451 WeakPolarHBondContact CA-O 3.09Å; S338-Q451 WeakPolarHBondContact CB-O 3.01Å; S338-G453 CarbonylContact C-O 3.54Å; S338-V500 WeakPolarHBondContact O-CA 3.44Å; S338-H501 PolarHBondContact O-N 3.43Å; S338-H501 PolarHBondContact OG-ND1 2.77Å
339	T	98	Very high	96.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	139	172.4	-58.9	0	0	0	0	109.6	M450 Q451 G453 G454 V456 V459 V500	T339-M450 CarbonylContact O-C 3.51Å; T339-M450 WeakPolarHBondContact O-CA 3.4Å; T339-M450 WeakPolarHBondContact O-CB 3.27Å; T339-Q451 PolarHBondContact N-O 2.78Å; T339-Q451 PolarHBondContact O-N 3.32Å; T339-G453 PolarHBondContact N-O 3.15Å; T339-G453 PolarHBondContact OG1-O 3.15Å; T339-G454 WeakPolarHBondContact OG1-CA 3.35Å; T339-V456 HydrophobicContact CG2-CB 4.49Å; T339-V456 HydrophobicContact CG2-CG2 3.94Å; T339-V459 HydrophobicContact CG2-CB 4.27Å; T339-V459 HydrophobicContact CG2-CG1 4.41Å; T339-V459 HydrophobicContact CG2-CG2 4Å; T339-V500 HydrophobicContact CG2-CG1 4.33Å
340	R	97.7	Very high	97	Very high	28 Å²	28	36.4 Å²	36.4	11%	0.106	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	130.6	177.5	177.6	177.1	178.7	-161.8	4.4	110.2	I448 S449 M450 A498 S499	R340-I448 HydrophobicContact CG-CG2 4Å; R340-S449 CarbonylContact C-O 3.59Å; R340-S449 WeakPolarHBondContact CA-O 3.46Å; R340-M450 HydrophobicContact CB-CB 3.95Å; R340-M450 HydrophobicContact CG-CB 4.06Å; R340-M450 HydrophobicContact CG-SD 4.44Å; R340-A498 CarbonylContact O-C 3.57Å; R340-S499 PolarHBondContact N-O 3.36Å; R340-S499 PolarHBondContact O-N 2.62Å; R340-S499 VanDerWaalsContact O-O 3.12Å
341	I	98.5	Very high	97.1	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.6	170.9	-52.8	176.1	0	0	0	107.6	S449 V456 V459 L460 L463 I496 A498 V555	I341-S449 PolarHBondContact N-O 2.83Å; I341-S449 PolarHBondContact O-N 2.82Å; I341-S449 VanDerWaalsContact O-O 3.06Å; I341-V456 HydrophobicContact CD1-CG1 4.22Å; I341-V459 HydrophobicContact CB-CG1 3.96Å; I341-V459 HydrophobicContact CD1-CB 4.27Å; I341-V459 HydrophobicContact CD1-CG1 3.89Å; I341-V459 HydrophobicContact CG1-CB 4.49Å; I341-V459 HydrophobicContact CG1-CG1 3.67Å; I341-L460 HydrophobicContact CD1-CB 3.8Å; I341-L460 HydrophobicContact CD1-CD1 4.23Å; I341-L463 HydrophobicContact CB-CD2 4.11Å; I341-L463 HydrophobicContact CG2-CD2 3.49Å; I341-L463 VanDerWaalsContact CG2-CD2 3.49Å; I341-I496 HydrophobicContact CG2-CD1 4.22Å; I341-I496 HydrophobicContact CG2-CG2 4.17Å; I341-A498 HydrophobicContact CG1-CB 3.99Å; I341-A498 HydrophobicContact CG2-CB 4.24Å; I341-V555 HydrophobicContact CD1-CG1 3.88Å; I341-V555 HydrophobicContact CD1-CG2 4.22Å; I341-V555 HydrophobicContact CG2-CG2 4.25Å
342	R	97.7	Very high	97.2	Very high	50 Å²	50	33 Å²	33	19%	0.189	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150.3	178.7	64.1	-175.1	-178.8	171.3	4.2	111.8	I447 I448 I496 R497	R342-I447 CarbonylContact C-O 3.58Å; R342-I447 WeakPolarHBondContact CA-O 3.48Å; R342-I447 WeakPolarHBondContact CB-O 3.33Å; R342-I448 HydrophobicContact CB-CB 4.35Å; R342-I448 HydrophobicContact CB-CG1 3.75Å; R342-I448 HydrophobicContact CB-CG2 4.49Å; R342-I496 CarbonylContact O-C 3.57Å; R342-I496 WeakPolarHBondContact O-CA 3.35Å; R342-R497 HydrophobicContact CG-CB 4.01Å; R342-R497 PolarHBondContact N-O 3.48Å; R342-R497 PolarHBondContact O-N 3.42Å
343	C	97.6	Very high	97.2	Very high	2 Å²	2	26 Å²	26	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157.5	170.8	63.9	0	0	0	0	110.9	R446 I447 T495 I496	C343-R446 WeakPolarHBondContact O-CA 3.29Å; C343-I447 PolarHBondContact N-O 3.41Å; C343-I447 PolarHBondContact O-N 3.06Å; C343-T495 WeakPolarHBondContact CA-O 3.27Å; C343-I496 HydrophobicContact CB-CD1 3.72Å; C343-I496 HydrophobicContact CB-CG1 4.39Å
344	A	97.8	Very high	97.1	Very high	3 Å²	3	24 Å²	24	3%	0.025	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	144.7	169.4	0	0	0	0	0	109.4	D443 L445 T495	A344-D443 HydrophobicContact CB-CB 4.3Å; A344-D443 WeakPolarHBondContact CB-OD2 3.14Å; A344-L445 CarbonylContact C-O 3.6Å; A344-L445 WeakPolarHBondContact CA-O 3.33Å; A344-T495 HydrophobicContact CB-CG2 4.26Å; A344-T495 PolarHBondContact N-OG1 2.84Å; A344-T495 PolarHBondContact O-OG1 3.48Å
345	R	98.1	Very high	97.1	Very high	3 Å²	3	23 Å²	23	1%	0.011	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	134.4	171	-69	-66.2	-179	-95.9	7.2	109.7	L445 I447 L467 F476 W484 T495	R345-L445 HydrophobicContact CB-CB 4.18Å; R345-L445 HydrophobicContact CB-CD1 4.46Å; R345-L445 PolarHBondContact N-O 3.39Å; R345-L445 PolarHBondContact O-N 2.78Å; R345-I447 HydrophobicContact CG-CD1 4.11Å; R345-L467 HydrophobicContact CG-CD2 4.07Å; R345-F476 HydrophobicContact CB-CD1 3.59Å; R345-F476 HydrophobicContact CB-CE1 3.71Å; R345-F476 HydrophobicContact CB-CG 4.12Å; R345-F476 HydrophobicContact CB-CZ 4.3Å; R345-F476 HydrophobicContact CG-CD1 4.05Å; R345-F476 HydrophobicContact CG-CD2 4.27Å; R345-F476 HydrophobicContact CG-CE1 4.13Å; R345-F476 HydrophobicContact CG-CE2 4.32Å; R345-F476 HydrophobicContact CG-CG 4.14Å; R345-F476 HydrophobicContact CG-CZ 4.25Å; R345-W484 VanDerWaalsContact NH2-CE2 3.34Å; R345-T495 PolarHBondContact NH1-OG1 3.37Å
346	T	98.3	Very high	97	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	14%	0.139	C	C	.	.			trans	-110.7	152.9	169.8	57.6	0	0	0	0	108.7	F352 D443 F476 A477 L485	T346-F352 HydrophobicContact CG2-CD1 3.7Å; T346-F352 HydrophobicContact CG2-CE1 3.59Å; T346-D443 HydrophobicContact CG2-CB 3.99Å; T346-F476 CarbonylContact O-C 3.47Å; T346-F476 VanDerWaalsContact O-CA 3.25Å; T346-F476 WeakPolarHBondContact O-CA 3.39Å; T346-A477 PolarHBondContact O-N 3.27Å; T346-L485 WeakPolarHBondContact CG2-O 3.33Å; T346-L485 PolarHBondContact OG1-O 2.8Å
347	L	98.3	Very high	97	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.037	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-94	132.2	-175.9	-61.4	-173	0	0	0	109.4	Y350 I364 H444 L474 T475 F476	L347-Y350 HydrophobicContact CB-CD2 3.87Å; L347-Y350 PolarHBondContact O-N 2.95Å; L347-I364 HydrophobicContact CD1-CB 4.48Å; L347-I364 HydrophobicContact CD1-CG1 4.17Å; L347-I364 HydrophobicContact CD1-CG2 3.97Å; L347-H444 HydrophobicContact CG-CB 4.38Å; L347-H444 PolarHBondContact N-ND1 3.47Å; L347-L474 HydrophobicContact CD1-CD2 4.44Å; L347-L474 HydrophobicContact CD2-CB 3.89Å; L347-L474 HydrophobicContact CD2-CD1 4.35Å; L347-L474 HydrophobicContact CD2-CD2 4.39Å; L347-L474 HydrophobicContact CD2-CG 4.45Å; L347-T475 WeakPolarHBondContact CA-O 3.33Å; L347-F476 HydrophobicContact CD2-CD1 3.75Å; L347-F476 HydrophobicContact CD2-CE1 3.76Å
348	A	97.7	Very high	97	Very high	42 Å²	42	28 Å²	28	35%	0.347	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	141.7	174.6	0	0	0	0	0	110.6	Y350 T475 A477	A348-Y350 VanDerWaalsContact C-N 3.3Å; A348-T475 HydrophobicContact CB-CG2 3.9Å; A348-T475 PolarHBondContact N-O 3.17Å; A348-A477 HydrophobicContact CB-CB 4.41Å
349	G	96.5	Very high	97.1	Very high	86 Å²	86	30.5 Å²	30.5	89%	0.887	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	-1	-178.3	0	0	0	0	0	115.1
350	Y	97.9	Very high	97.1	Very high	40 Å²	40	30.6 Å²	30.6	16%	0.157	19%	0.192	C	C	.	.	S	Bend	trans	-115	138.4	174.2	-69.4	-87.3	0	0	0	110.5	L347 A348 L356 E363 I364 K367	L347-Y350 HydrophobicContact CB-CD2 3.87Å; L347-Y350 PolarHBondContact O-N 2.95Å; A348-Y350 VanDerWaalsContact C-N 3.3Å; Y350-L356 HydrophobicContact CD1-CD1 4.15Å; Y350-E363 HydrophobicContact CE1-CB 4.4Å; Y350-E363 PolarHBondContact OH-OE2 2.92Å; Y350-E363 VanDerWaalsContact OH-OE2 3.11Å; Y350-I364 HydrophobicContact CD1-CD1 3.82Å; Y350-I364 HydrophobicContact CD1-CG1 3.8Å; Y350-I364 HydrophobicContact CD2-CD1 4.48Å; Y350-I364 HydrophobicContact CD2-CG1 4.35Å; Y350-I364 HydrophobicContact CE1-CD1 4.47Å; Y350-I364 HydrophobicContact CE1-CG1 3.94Å; Y350-I364 HydrophobicContact CE2-CG1 4.47Å; Y350-I364 HydrophobicContact CG-CD1 3.83Å; Y350-I364 HydrophobicContact CG-CG1 4.02Å; Y350-K367 HydrophobicContact CE2-CD 4.48Å; Y350-K367 WeakPolarHBondContact OH-CE 3.48Å; Y350-K367 PolarHBondContact OH-NZ 3.4Å
351	P	97.7	Very high	97.1	Very high	42 Å²	42	29.3 Å²	29.3	27%	0.273	19%	0.186	S	C	.	.			trans	-66.4	164	166.3	32.4	-35.7	0	0	0	109.8	D286 L355 L356 H444	D286-P351 HydrophobicContact CB-CB 4.11Å; P351-L355 HydrophobicContact CB-CB 3.84Å; P351-L355 HydrophobicContact CG-CB 4.3Å; P351-L356 HydrophobicContact CG-CD1 4.07Å; P351-H444 PolarHBondContact O-CE1 3.34Å; P351-H444 PolarHBondContact O-NE2 3.28Å; P351-H444 VanDerWaalsContact O-NE2 3.09Å
352	F	97.5	Very high	97.1	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.009	20%	0.202	C	C	.	.			trans	-75.3	174.1	174	-49.7	-42	0	0	0	111.1	A284 P285 D286 A287 Y290 T346 P354 L355 L356 L485 F487	A284-F352 HydrophobicContact CB-CD2 4.47Å; A284-F352 HydrophobicContact CB-CE2 4.18Å; A284-F352 VanDerWaalsContact O-CD2 3.29Å; A284-F352 WeakPolarHBondContact O-CD2 3.27Å; P285-F352 WeakPolarHBondContact O-CA 3.24Å; P285-F352 WeakPolarHBondContact O-CB 3.36Å; P285-F352 PolarHBondContact O-N 3.5Å; D286-F352 VanDerWaalsContact CA-CD2 3.43Å; D286-F352 VanDerWaalsContact O-CE2 3.28Å; D286-F352 WeakPolarHBondContact O-CE2 3.16Å; A287-F352 HydrophobicContact CB-CZ 4.21Å; Y290-F352 HydrophobicContact CE2-CE2 4.22Å; T346-F352 HydrophobicContact CG2-CD1 3.7Å; T346-F352 HydrophobicContact CG2-CE1 3.59Å; F352-P354 VanDerWaalsContact C-N 3.29Å; F352-P354 WeakPolarHBondContact O-CD 3.33Å; F352-L355 PolarHBondContact O-N 2.82Å; F352-L356 PolarHBondContact O-N 3.44Å; F352-L485 HydrophobicContact CZ-CB 4.08Å; F352-F487 HydrophobicContact CB-CB 4.21Å; F352-F487 HydrophobicContact CB-CD2 4.36Å; F352-F487 HydrophobicContact CD2-CB 4.31Å; F352-F487 HydrophobicContact CG-CB 4.33Å
353	N	94.9	Very high	97.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-36.5	-175.1	-72.9	3.1	0	0	0	116.5	L355 Y361 A417 E441 E442	N353-L355 VanDerWaalsContact C-N 3.34Å; N353-L355 PolarHBondContact O-N 3.45Å; N353-Y361 VanDerWaalsContact CA-OH 3.32Å; N353-Y361 WeakPolarHBondContact CA-OH 3.38Å; N353-Y361 VanDerWaalsContact CB-OH 3.26Å; N353-Y361 WeakPolarHBondContact CB-OH 3.38Å; N353-Y361 PolarHBondContact O-OH 3.48Å; N353-A417 HydrophobicContact CB-CB 3.9Å; N353-E441 PolarHBondContact ND2-O 3.2Å; N353-E441 VanDerWaalsContact ND2-O 3.15Å; N353-E442 PolarHBondContact ND2-O 2.83Å; N353-E442 VanDerWaalsContact ND2-O 3.17Å
354	P	93	Very high	97.1	Very high	8 Å²	8	34.3 Å²	34.3	5%	0.052	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-36.4	178.8	-24.9	34.4	0	0	0	115	P285 F352 A415 N416 A417 R419 F487	P285-P354 HydrophobicContact CB-CB 4.14Å; P285-P354 HydrophobicContact CB-CG 4.44Å; F352-P354 VanDerWaalsContact C-N 3.29Å; F352-P354 WeakPolarHBondContact O-CD 3.33Å; P354-A415 WeakPolarHBondContact CG-O 3.4Å; P354-N416 WeakPolarHBondContact CA-O 3.48Å; P354-N416 HydrophobicContact CB-CB 4.37Å; P354-N416 PolarHBondContact O-ND2 3.28Å; P354-A417 HydrophobicContact CG-CB 4.44Å; P354-R419 WeakPolarHBondContact O-CD 3.45Å; P354-R419 PolarHBondContact O-NH1 3.28Å; P354-F487 HydrophobicContact CG-CD2 3.63Å; P354-F487 HydrophobicContact CG-CE2 3.18Å; P354-F487 HydrophobicContact CG-CZ 4.1Å
355	L	95.6	Very high	97.1	Very high	86 Å²	86	34.9 Å²	34.9	45%	0.45	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-10.2	-176.7	-69.8	-179	0	0	0	113	P285 D286 P351 F352 N353 T357	P285-L355 HydrophobicContact CB-CD1 3.67Å; P285-L355 HydrophobicContact CB-CG 3.77Å; P285-L355 HydrophobicContact CG-CD1 4.15Å; D286-L355 WeakPolarHBondContact OD2-CD1 3.28Å; P351-L355 HydrophobicContact CB-CB 3.84Å; P351-L355 HydrophobicContact CG-CB 4.3Å; F352-L355 PolarHBondContact O-N 2.82Å; N353-L355 VanDerWaalsContact C-N 3.34Å; N353-L355 PolarHBondContact O-N 3.45Å; L355-T357 PolarHBondContact O-N 3.09Å
356	L	95.4	Very high	97.1	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	24%	0.235	C	C	.	.			trans	-57.5	134.7	177	-158.6	68	0	0	0	111.6	Y350 P351 F352 Y361 I364 R419	Y350-L356 HydrophobicContact CD1-CD1 4.15Å; P351-L356 HydrophobicContact CG-CD1 4.07Å; F352-L356 PolarHBondContact O-N 3.44Å; L356-Y361 HydrophobicContact CB-CD2 4.14Å; L356-Y361 HydrophobicContact CB-CE2 3.72Å; L356-Y361 HydrophobicContact CD2-CD1 3.6Å; L356-Y361 HydrophobicContact CD2-CD2 3.8Å; L356-Y361 HydrophobicContact CD2-CE1 3.7Å; L356-Y361 HydrophobicContact CD2-CE2 3.9Å; L356-Y361 HydrophobicContact CD2-CG 3.63Å; L356-Y361 HydrophobicContact CG-CD2 4Å; L356-Y361 HydrophobicContact CG-CE2 4.07Å; L356-Y361 HydrophobicContact CG-CG 4.27Å; L356-I364 HydrophobicContact CD1-CD1 3.89Å; L356-I364 HydrophobicContact CD2-CD1 3.78Å; L356-R419 PolarHBondContact O-NH1 3.24Å
357	T	96.8	Very high	97.1	Very high	80 Å²	80	43.2 Å²	43.2	49%	0.491	26%	0.256	S	S	.	.			trans	-84	164.4	178.2	62.8	0	0	0	0	110.7	L355 A359 G360 Y361	L355-T357 PolarHBondContact O-N 3.09Å; T357-A359 VanDerWaalsContact C-N 3.28Å; T357-A359 PolarHBondContact O-N 2.9Å; T357-G360 PolarHBondContact O-N 3.45Å; T357-G360 VanDerWaalsContact O-N 3.08Å; T357-G360 PolarHBondContact OG1-N 3.22Å; T357-Y361 VanDerWaalsContact O-CD2 3.29Å; T357-Y361 WeakPolarHBondContact O-CD2 3.47Å; T357-Y361 PolarHBondContact O-N 3.38Å
358	E	96.2	Very high	97.1	Very high	105 Å²	105	42.9 Å²	42.9	49%	0.491	25%	0.254	S	S	.	.	H	α-helix	trans	-55.3	-44.7	175.6	-166.5	179.2	175.7	0	0	112	Y361 L362 F420 L423	E358-Y361 PolarHBondContact O-N 3.12Å; E358-L362 PolarHBondContact O-N 2.97Å; E358-F420 HydrophobicContact CB-CD1 4.15Å; E358-F420 HydrophobicContact CB-CD2 4.36Å; E358-F420 HydrophobicContact CB-CE1 4.15Å; E358-F420 HydrophobicContact CB-CE2 4.35Å; E358-F420 HydrophobicContact CB-CG 4.25Å; E358-F420 HydrophobicContact CB-CZ 4.24Å; E358-F420 HydrophobicContact CG-CD1 4.25Å; E358-F420 HydrophobicContact CG-CG 4.35Å; E358-L423 HydrophobicContact CB-CD2 4.4Å; E358-L423 HydrophobicContact CG-CD2 3.13Å; E358-L423 WeakPolarHBondContact OE1-CD2 3.39Å
359	A	97.5	Very high	97.2	Very high	53 Å²	53	44.1 Å²	44.1	44%	0.438	25%	0.251	S	S	.	.	H	α-helix	trans	-63.8	-42.3	174.1	0	0	0	0	0	112	T357 Y361 L362 E363	T357-A359 VanDerWaalsContact C-N 3.28Å; T357-A359 PolarHBondContact O-N 2.9Å; A359-Y361 VanDerWaalsContact C-N 3.33Å; A359-Y361 PolarHBondContact O-N 3.12Å; A359-L362 PolarHBondContact O-N 2.88Å; A359-L362 VanDerWaalsContact O-N 3.12Å; A359-E363 WeakPolarHBondContact O-CG 3.36Å; A359-E363 PolarHBondContact O-N 2.96Å
360	G	97.5	Very high	97.2	Very high	3 Å²	3	45.2 Å²	45.2	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-40.6	177.3	0	0	0	0	0	113.2	T357 L362 E363 I364	T357-G360 PolarHBondContact O-N 3.45Å; T357-G360 VanDerWaalsContact O-N 3.08Å; T357-G360 PolarHBondContact OG1-N 3.22Å; G360-L362 VanDerWaalsContact C-N 3.33Å; G360-L362 PolarHBondContact O-N 2.86Å; G360-E363 PolarHBondContact O-N 3.27Å; G360-I364 WeakPolarHBondContact O-CG1 3.48Å; G360-I364 PolarHBondContact O-N 3.43Å
361	Y	97.9	Very high	97.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.1	-44.4	173.8	-87.6	-73.3	0	0	0	112.1	N353 L356 T357 E358 A359 E365 A417 F420 R425 N440	N353-Y361 VanDerWaalsContact CA-OH 3.32Å; N353-Y361 WeakPolarHBondContact CA-OH 3.38Å; N353-Y361 VanDerWaalsContact CB-OH 3.26Å; N353-Y361 WeakPolarHBondContact CB-OH 3.38Å; N353-Y361 PolarHBondContact O-OH 3.48Å; L356-Y361 HydrophobicContact CB-CD2 4.14Å; L356-Y361 HydrophobicContact CB-CE2 3.72Å; L356-Y361 HydrophobicContact CD2-CD1 3.6Å; L356-Y361 HydrophobicContact CD2-CD2 3.8Å; L356-Y361 HydrophobicContact CD2-CE1 3.7Å; L356-Y361 HydrophobicContact CD2-CE2 3.9Å; L356-Y361 HydrophobicContact CD2-CG 3.63Å; L356-Y361 HydrophobicContact CG-CD2 4Å; L356-Y361 HydrophobicContact CG-CE2 4.07Å; L356-Y361 HydrophobicContact CG-CG 4.27Å; T357-Y361 VanDerWaalsContact O-CD2 3.29Å; T357-Y361 WeakPolarHBondContact O-CD2 3.47Å; T357-Y361 PolarHBondContact O-N 3.38Å; E358-Y361 PolarHBondContact O-N 3.12Å; A359-Y361 VanDerWaalsContact C-N 3.33Å; A359-Y361 PolarHBondContact O-N 3.12Å; Y361-E365 WeakPolarHBondContact O-CB 3.45Å; Y361-E365 PolarHBondContact O-N 3.42Å; Y361-A417 PolarHBondContact OH-O 2.9Å; Y361-F420 AromaticContact CD2-CD2 3.91Å; Y361-F420 HydrophobicContact CD2-CD2 3.91Å; Y361-F420 AromaticContact CE2-CD2 3.93Å; Y361-F420 HydrophobicContact CE2-CD2 3.93Å; Y361-R425 PolarHBondContact OH-NH2 2.93Å; Y361-N440 HydrophobicContact CD1-CB 3.89Å; Y361-N440 HydrophobicContact CE1-CB 3.91Å; Y361-N440 PolarHBondContact O-ND2 2.98Å
362	L	98	Very high	97.3	Very high	62 Å²	62	41.5 Å²	41.5	33%	0.325	22%	0.218	S	C	.	.	H	α-helix	trans	-72	-38.1	179.3	-68.1	175.1	0	0	0	112.8	E358 A359 G360 E365 N366 L423	E358-L362 PolarHBondContact O-N 2.97Å; A359-L362 PolarHBondContact O-N 2.88Å; A359-L362 VanDerWaalsContact O-N 3.12Å; G360-L362 VanDerWaalsContact C-N 3.33Å; G360-L362 PolarHBondContact O-N 2.86Å; L362-E365 PolarHBondContact O-N 2.94Å; L362-N366 WeakPolarHBondContact O-CB 3.47Å; L362-N366 VanDerWaalsContact O-CG 3.29Å; L362-N366 PolarHBondContact O-N 3.32Å; L362-N366 PolarHBondContact O-ND2 3.35Å; L362-N366 VanDerWaalsContact O-ND2 3.12Å; L362-L423 HydrophobicContact CD1-CD1 4.49Å; L362-L423 HydrophobicContact CD1-CD2 4.18Å; L362-L423 HydrophobicContact CD2-CD1 3.78Å; L362-L423 HydrophobicContact CD2-CD2 4.3Å; L362-L423 HydrophobicContact CD2-CG 3.82Å; L362-L423 HydrophobicContact CG-CD1 4.36Å; L362-L423 HydrophobicContact CG-CD2 4.04Å; L362-L423 HydrophobicContact CG-CG 4.09Å
363	E	98.1	Very high	97.3	Very high	96 Å²	96	47 Å²	47	45%	0.449	25%	0.247	S	C	.	.	H	α-helix	trans	-62.4	-46.8	175.6	-75.9	178.5	-158.1	0	0	111.7	Y350 A359 G360 N366 K367	Y350-E363 HydrophobicContact CE1-CB 4.4Å; Y350-E363 PolarHBondContact OH-OE2 2.92Å; Y350-E363 VanDerWaalsContact OH-OE2 3.11Å; A359-E363 WeakPolarHBondContact O-CG 3.36Å; A359-E363 PolarHBondContact O-N 2.96Å; G360-E363 PolarHBondContact O-N 3.27Å; E363-N366 PolarHBondContact O-N 2.91Å; E363-K367 WeakPolarHBondContact O-CG 3.41Å; E363-K367 PolarHBondContact O-N 2.9Å
364	I	98.4	Very high	97.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-47.9	175.9	-68.1	-178.1	0	0	0	109.9	L347 Y350 L356 G360 N366 K367 V368 H444	L347-I364 HydrophobicContact CD1-CB 4.48Å; L347-I364 HydrophobicContact CD1-CG1 4.17Å; L347-I364 HydrophobicContact CD1-CG2 3.97Å; Y350-I364 HydrophobicContact CD1-CD1 3.82Å; Y350-I364 HydrophobicContact CD1-CG1 3.8Å; Y350-I364 HydrophobicContact CD2-CD1 4.48Å; Y350-I364 HydrophobicContact CD2-CG1 4.35Å; Y350-I364 HydrophobicContact CE1-CD1 4.47Å; Y350-I364 HydrophobicContact CE1-CG1 3.94Å; Y350-I364 HydrophobicContact CE2-CG1 4.47Å; Y350-I364 HydrophobicContact CG-CD1 3.83Å; Y350-I364 HydrophobicContact CG-CG1 4.02Å; L356-I364 HydrophobicContact CD1-CD1 3.89Å; L356-I364 HydrophobicContact CD2-CD1 3.78Å; G360-I364 WeakPolarHBondContact O-CG1 3.48Å; G360-I364 PolarHBondContact O-N 3.43Å; I364-N366 VanDerWaalsContact C-N 3.32Å; I364-N366 PolarHBondContact O-N 2.96Å; I364-K367 PolarHBondContact O-N 3.36Å; I364-V368 HydrophobicContact CG2-CG2 4.14Å; I364-V368 WeakPolarHBondContact O-CB 3.46Å; I364-V368 WeakPolarHBondContact O-CG2 3.15Å; I364-V368 PolarHBondContact O-N 3.35Å; I364-H444 HydrophobicContact CG2-CB 4.31Å
365	E	98.3	Very high	97.6	Very high	15 Å²	15	48.5 Å²	48.5	7%	0.07	26%	0.26	C	S	.	.	H	α-helix	trans	-54.6	-47.5	177	173.1	174.6	-145.7	0	0	111.7	Y361 L362 V368 K369 Y384 G424	Y361-E365 WeakPolarHBondContact O-CB 3.45Å; Y361-E365 PolarHBondContact O-N 3.42Å; L362-E365 PolarHBondContact O-N 2.94Å; E365-V368 PolarHBondContact O-N 3.47Å; E365-K369 HydrophobicContact CG-CD 3.8Å; E365-K369 HydrophobicContact CG-CG 4.44Å; E365-K369 WeakPolarHBondContact O-CB 3.39Å; E365-K369 VanDerWaalsContact O-CG 3.25Å; E365-K369 WeakPolarHBondContact O-CG 3.3Å; E365-K369 PolarHBondContact O-N 3.27Å; E365-Y384 HydrophobicContact CG-CE1 4.22Å; E365-Y384 WeakPolarHBondContact CG-OH 3.37Å; E365-Y384 WeakPolarHBondContact OE1-CE1 3.25Å; E365-Y384 PolarHBondContact OE1-OH 2.91Å; E365-G424 VanDerWaalsContact OE2-CA 3.29Å; E365-G424 WeakPolarHBondContact OE2-CA 3.44Å
366	N	98.2	Very high	97.4	Very high	78 Å²	78	48.5 Å²	48.5	42%	0.417	27%	0.272	S	S	.	.	H	α-helix	trans	-65.2	-47.2	-179.8	-72.8	-34.5	0	0	0	112.2	L362 E363 I364 V368 K369 D370	L362-N366 WeakPolarHBondContact O-CB 3.47Å; L362-N366 VanDerWaalsContact O-CG 3.29Å; L362-N366 PolarHBondContact O-N 3.32Å; L362-N366 PolarHBondContact O-ND2 3.35Å; L362-N366 VanDerWaalsContact O-ND2 3.12Å; E363-N366 PolarHBondContact O-N 2.91Å; I364-N366 VanDerWaalsContact C-N 3.32Å; I364-N366 PolarHBondContact O-N 2.96Å; N366-V368 VanDerWaalsContact C-N 3.27Å; N366-V368 PolarHBondContact O-N 3.43Å; N366-K369 PolarHBondContact O-N 3.02Å; N366-D370 PolarHBondContact O-N 3.45Å
367	K	98.4	Very high	97.4	Very high	100 Å²	100	52.6 Å²	52.6	44%	0.435	29%	0.291	S	S	.	.	H	α-helix	trans	-57.2	-42.9	175.5	-76	-179.4	173	-177.1	0	111.9	Y350 E363 I364 D370 A371 L474	Y350-K367 HydrophobicContact CE2-CD 4.48Å; Y350-K367 WeakPolarHBondContact OH-CE 3.48Å; Y350-K367 PolarHBondContact OH-NZ 3.4Å; E363-K367 WeakPolarHBondContact O-CG 3.41Å; E363-K367 PolarHBondContact O-N 2.9Å; I364-K367 PolarHBondContact O-N 3.36Å; K367-D370 PolarHBondContact O-N 3Å; K367-A371 WeakPolarHBondContact O-CB 3.3Å; K367-A371 PolarHBondContact O-N 2.96Å; K367-L474 HydrophobicContact CB-CD2 4Å
368	V	98.5	Very high	97.3	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-67.4	-43.6	178.6	171.8	0	0	0	0	110.5	I364 E365 N366 D370 A371 L372 V439 L445 L474	I364-V368 HydrophobicContact CG2-CG2 4.14Å; I364-V368 WeakPolarHBondContact O-CB 3.46Å; I364-V368 WeakPolarHBondContact O-CG2 3.15Å; I364-V368 PolarHBondContact O-N 3.35Å; E365-V368 PolarHBondContact O-N 3.47Å; N366-V368 VanDerWaalsContact C-N 3.27Å; N366-V368 PolarHBondContact O-N 3.43Å; V368-D370 VanDerWaalsContact C-N 3.33Å; V368-D370 PolarHBondContact O-N 3.31Å; V368-A371 PolarHBondContact O-N 2.86Å; V368-L372 HydrophobicContact CG1-CD1 3.69Å; V368-L372 HydrophobicContact CG1-CG 4.04Å; V368-L372 WeakPolarHBondContact O-CB 3.17Å; V368-L372 WeakPolarHBondContact O-CG 3.44Å; V368-L372 PolarHBondContact O-N 2.87Å; V368-V439 HydrophobicContact CB-CG1 4.48Å; V368-V439 HydrophobicContact CG1-CG1 4.33Å; V368-V439 HydrophobicContact CG1-CG2 3.69Å; V368-L445 HydrophobicContact CB-CD2 4.35Å; V368-L445 HydrophobicContact CG1-CD2 3.66Å; V368-L445 HydrophobicContact CG2-CD2 3.69Å; V368-L445 HydrophobicContact CG2-CG 4.41Å; V368-L474 HydrophobicContact CG2-CD1 4.12Å
369	K	98.1	Very high	97.3	Very high	67 Å²	67	50.8 Å²	50.8	29%	0.291	28%	0.282	S	S	.	.	H	α-helix	trans	-58.4	-43.9	175.1	-76.4	167	64	-172.1	0	112.2	E365 N366 A371 L372 N373 Y384	E365-K369 HydrophobicContact CG-CD 3.8Å; E365-K369 HydrophobicContact CG-CG 4.44Å; E365-K369 WeakPolarHBondContact O-CB 3.39Å; E365-K369 VanDerWaalsContact O-CG 3.25Å; E365-K369 WeakPolarHBondContact O-CG 3.3Å; E365-K369 PolarHBondContact O-N 3.27Å; N366-K369 PolarHBondContact O-N 3.02Å; K369-A371 VanDerWaalsContact C-N 3.33Å; K369-A371 PolarHBondContact O-N 2.69Å; K369-L372 PolarHBondContact O-N 2.88Å; K369-N373 WeakPolarHBondContact O-CB 3.21Å; K369-N373 PolarHBondContact O-N 2.72Å; K369-N373 PolarHBondContact O-ND2 2.97Å; K369-Y384 HydrophobicContact CD-CD1 3.81Å; K369-Y384 HydrophobicContact CD-CE1 3.74Å; K369-Y384 HydrophobicContact CD-CG 4.47Å; K369-Y384 HydrophobicContact CG-CD1 3.67Å; K369-Y384 HydrophobicContact CG-CD2 4.12Å; K369-Y384 HydrophobicContact CG-CE1 3.8Å; K369-Y384 HydrophobicContact CG-CE2 4.26Å; K369-Y384 HydrophobicContact CG-CG 3.83Å
370	D	98	Very high	97.3	Very high	109 Å²	109	48.3 Å²	48.3	58%	0.583	26%	0.261	S	S	*	.	H	α-helix	trans	-62.1	-43.2	176.8	-66.8	-21	0	0	0	111	N366 K367 V368 N373 A374	N366-D370 PolarHBondContact O-N 3.45Å; K367-D370 PolarHBondContact O-N 3Å; V368-D370 VanDerWaalsContact C-N 3.33Å; V368-D370 PolarHBondContact O-N 3.31Å; D370-N373 PolarHBondContact O-N 3.24Å; D370-A374 PolarHBondContact O-N 2.72Å
371	A	98.3	Very high	97.3	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.008	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-39.2	175.9	0	0	0	0	0	113.2	K367 V368 K369 A374 L470 L473 L474	K367-A371 WeakPolarHBondContact O-CB 3.3Å; K367-A371 PolarHBondContact O-N 2.96Å; V368-A371 PolarHBondContact O-N 2.86Å; K369-A371 VanDerWaalsContact C-N 3.33Å; K369-A371 PolarHBondContact O-N 2.69Å; A371-A374 PolarHBondContact O-N 3.24Å; A371-L470 HydrophobicContact CB-CD2 3.8Å; A371-L473 HydrophobicContact CB-CB 3.97Å; A371-L473 HydrophobicContact CB-CD1 4.1Å; A371-L474 HydrophobicContact CB-CD1 3.86Å; A371-L474 HydrophobicContact CB-CD2 4.23Å; A371-L474 HydrophobicContact CB-CG 3.84Å
372	L	98.3	Very high	97.3	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-67.8	-39.6	176.3	-69.7	171.8	0	0	0	112.1	V368 K369 A374 L375 Y384 F428 I437 L470	V368-L372 HydrophobicContact CG1-CD1 3.69Å; V368-L372 HydrophobicContact CG1-CG 4.04Å; V368-L372 WeakPolarHBondContact O-CB 3.17Å; V368-L372 WeakPolarHBondContact O-CG 3.44Å; V368-L372 PolarHBondContact O-N 2.87Å; K369-L372 PolarHBondContact O-N 2.88Å; L372-A374 PolarHBondContact O-N 2.93Å; L372-L375 HydrophobicContact CD2-CD1 3.95Å; L372-L375 VanDerWaalsContact O-CB 3.29Å; L372-L375 WeakPolarHBondContact O-CB 3.27Å; L372-L375 WeakPolarHBondContact O-CG 3.36Å; L372-L375 PolarHBondContact O-N 3.43Å; L372-L375 VanDerWaalsContact O-N 3.15Å; L372-Y384 HydrophobicContact CD1-CD2 3.59Å; L372-Y384 HydrophobicContact CD1-CE2 4.2Å; L372-F428 HydrophobicContact CB-CD2 4.08Å; L372-F428 HydrophobicContact CB-CE2 4.04Å; L372-F428 HydrophobicContact CD1-CB 3.73Å; L372-F428 HydrophobicContact CD1-CD2 3.82Å; L372-F428 HydrophobicContact CD1-CG 3.83Å; L372-F428 HydrophobicContact CD2-CB 4.28Å; L372-F428 HydrophobicContact CD2-CD1 3.73Å; L372-F428 HydrophobicContact CD2-CD2 3.97Å; L372-F428 HydrophobicContact CD2-CE1 3.95Å; L372-F428 HydrophobicContact CD2-CE2 4.17Å; L372-F428 HydrophobicContact CD2-CG 3.73Å; L372-F428 HydrophobicContact CD2-CZ 4.15Å; L372-F428 HydrophobicContact CG-CD2 4.18Å; L372-F428 HydrophobicContact CG-CE2 4.5Å; L372-F428 HydrophobicContact CG-CG 4.28Å; L372-I437 HydrophobicContact CD2-CD1 3.47Å; L372-I437 VanDerWaalsContact CD2-CD1 3.47Å; L372-L470 HydrophobicContact CD2-CD2 4.21Å
373	N	97.3	Very high	97.3	Very high	118 Å²	118	56.3 Å²	56.3	63%	0.631	30%	0.302	S	S	*	.	H	α-helix	trans	-66	-24.2	175.9	-72.3	-25.6	0	0	0	112.3	K369 D370 L375	K369-N373 WeakPolarHBondContact O-CB 3.21Å; K369-N373 PolarHBondContact O-N 2.72Å; K369-N373 PolarHBondContact O-ND2 2.97Å; D370-N373 PolarHBondContact O-N 3.24Å; N373-L375 VanDerWaalsContact C-N 3.28Å; N373-L375 PolarHBondContact O-N 3.41Å
374	A	97.1	Very high	97.3	Very high	35 Å²	35	53.1 Å²	53.1	29%	0.289	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-2.7	175.6	0	0	0	0	0	114.1	D370 A371 L372 A376 K469 L473	D370-A374 PolarHBondContact O-N 2.72Å; A371-A374 PolarHBondContact O-N 3.24Å; L372-A374 PolarHBondContact O-N 2.93Å; A374-A376 PolarHBondContact O-N 2.78Å; A374-K469 WeakPolarHBondContact O-CE 3.43Å; A374-L473 HydrophobicContact CB-CD1 3.49Å; A374-L473 VanDerWaalsContact CB-CD1 3.49Å
375	L	97	Very high	97.2	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.026	30%	0.297	C	S	.	.			trans	-70.6	98.2	172.5	-63.7	172	0	0	0	109.6	L372 N373 L380 F428 F435 K469	L372-L375 HydrophobicContact CD2-CD1 3.95Å; L372-L375 VanDerWaalsContact O-CB 3.29Å; L372-L375 WeakPolarHBondContact O-CB 3.27Å; L372-L375 WeakPolarHBondContact O-CG 3.36Å; L372-L375 PolarHBondContact O-N 3.43Å; L372-L375 VanDerWaalsContact O-N 3.15Å; N373-L375 VanDerWaalsContact C-N 3.28Å; N373-L375 PolarHBondContact O-N 3.41Å; L375-L380 HydrophobicContact CB-CB 4.26Å; L375-L380 HydrophobicContact CD1-CB 4.5Å; L375-L380 HydrophobicContact CD2-CB 4.36Å; L375-L380 HydrophobicContact CD2-CD1 4.44Å; L375-F428 HydrophobicContact CD1-CE1 3.92Å; L375-F428 HydrophobicContact CD1-CZ 3.72Å; L375-F435 HydrophobicContact CD1-CE1 4.14Å; L375-K469 HydrophobicContact CD2-CB 3.94Å; L375-K469 HydrophobicContact CD2-CG 3.69Å
376	A	92.9	Very high	97.2	Very high	86 Å²	86	57.5 Å²	57.5	71%	0.711	31%	0.309	S	S	*	.			trans	-85	-26.9	-174.8	0	0	0	0	0	113.8	A374	A374-A376 PolarHBondContact O-N 2.78Å
377	E	94.9	Very high	97.1	Very high	87 Å²	87	54.9 Å²	54.9	41%	0.407	30%	0.295	S	S	.	.	S	Bend	trans	-68.2	137.6	-178.6	-64.4	-179.6	-117.2	0	0	111.2	D379 L380 R381 R465	E377-D379 VanDerWaalsContact C-N 3.32Å; E377-D379 PolarHBondContact O-N 2.85Å; E377-L380 HydrophobicContact CB-CB 4.33Å; E377-L380 HydrophobicContact CB-CD1 4.27Å; E377-L380 HydrophobicContact CB-CG 4.34Å; E377-L380 PolarHBondContact O-N 2.65Å; E377-R381 WeakPolarHBondContact O-CB 3.39Å; E377-R381 PolarHBondContact O-N 2.84Å; E377-R465 WeakPolarHBondContact OE2-CD 3.33Å; E377-R465 IonicContact OE2-CZ 2.59Å; E377-R465 IonicContact OE2-NE 3.98Å; E377-R465 IonicContact OE2-NH1 2.99Å; E377-R465 PolarHBondContact OE2-NH1 3.27Å
378	D	94.4	Very high	96.9	Very high	104 Å²	104	56.3 Å²	56.3	56%	0.556	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-38.7	-170.3	-170.5	58.3	0	0	0	113	L380 R381	D378-L380 VanDerWaalsContact C-N 3.3Å; D378-L380 PolarHBondContact O-N 3Å; D378-R381 IonicContact OD1-CZ 2.76Å; D378-R381 IonicContact OD1-NH2 3.87Å; D378-R381 PolarHBondContact OD1-NH2 3.32Å
379	D	96.4	Very high	96.6	Very high	43 Å²	43	59.9 Å²	59.9	23%	0.23	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-8	179.7	74.4	-39.4	0	0	0	113.6	E377 N430 R462 R465	E377-D379 VanDerWaalsContact C-N 3.32Å; E377-D379 PolarHBondContact O-N 2.85Å; D379-N430 PolarHBondContact O-ND2 2.72Å; D379-R462 VanDerWaalsContact OD2-CD 3.27Å; D379-R462 WeakPolarHBondContact OD2-CD 3.29Å; D379-R465 IonicContact OD1-CZ 2.93Å; D379-R465 IonicContact OD1-NH1 2.68Å; D379-R465 PolarHBondContact OD1-NH1 2.68Å; D379-R465 IonicContact OD1-NH2 3.61Å; D379-R465 IonicContact OD2-CZ 2.67Å; D379-R465 IonicContact OD2-NH1 3.28Å; D379-R465 PolarHBondContact OD2-NH1 2.89Å; D379-R465 IonicContact OD2-NH2 3.55Å; D379-R465 PolarHBondContact OD2-NH2 3.11Å
380	L	98.1	Very high	96.5	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-29.1	174.7	-64.3	-179.2	0	0	0	112.5	L375 E377 D378 F428 F435 R462 R465	L375-L380 HydrophobicContact CB-CB 4.26Å; L375-L380 HydrophobicContact CD1-CB 4.5Å; L375-L380 HydrophobicContact CD2-CB 4.36Å; L375-L380 HydrophobicContact CD2-CD1 4.44Å; E377-L380 HydrophobicContact CB-CB 4.33Å; E377-L380 HydrophobicContact CB-CD1 4.27Å; E377-L380 HydrophobicContact CB-CG 4.34Å; E377-L380 PolarHBondContact O-N 2.65Å; D378-L380 VanDerWaalsContact C-N 3.3Å; D378-L380 PolarHBondContact O-N 3Å; L380-F428 VanDerWaalsContact O-CZ 3.32Å; L380-F428 WeakPolarHBondContact O-CZ 3.29Å; L380-F435 HydrophobicContact CD2-CB 4.31Å; L380-F435 HydrophobicContact CD2-CD1 3.77Å; L380-F435 HydrophobicContact CD2-CD2 3.95Å; L380-F435 HydrophobicContact CD2-CE1 4Å; L380-F435 HydrophobicContact CD2-CE2 4.16Å; L380-F435 HydrophobicContact CD2-CG 3.75Å; L380-F435 HydrophobicContact CD2-CZ 4.19Å; L380-R462 HydrophobicContact CD2-CG 3.68Å; L380-R465 HydrophobicContact CD1-CB 3.92Å
381	R	97.6	Very high	96.3	Very high	136 Å²	136	56.4 Å²	56.4	51%	0.513	32%	0.324	S	S	.	.			trans	-61.4	136.3	178.6	-176.6	178.4	60.2	-158.8	-3.7	110.7	E377 D378 N430	E377-R381 WeakPolarHBondContact O-CB 3.39Å; E377-R381 PolarHBondContact O-N 2.84Å; D378-R381 IonicContact OD1-CZ 2.76Å; D378-R381 IonicContact OD1-NH2 3.87Å; D378-R381 PolarHBondContact OD1-NH2 3.32Å; R381-N430 VanDerWaalsContact O-CA 3.3Å; R381-N430 WeakPolarHBondContact O-CA 3.4Å; R381-N430 VanDerWaalsContact O-CB 3.3Å; R381-N430 WeakPolarHBondContact O-CB 3.32Å
382	G	97.1	Very high	96.1	Very high	25 Å²	25	60 Å²	60	26%	0.258	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	-168.5	-173	0	0	0	0	0	113.7	F428 H429	G382-F428 VanDerWaalsContact CA-CE2 3.48Å; G382-F428 VanDerWaalsContact CA-CZ 3.47Å; G382-H429 CarbonylContact C-O 3.6Å; G382-H429 WeakPolarHBondContact CA-O 3.42Å
383	T	97.5	Very high	95.9	Very high	73 Å²	73	66.2 Å²	66.2	45%	0.448	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134.3	179.1	-57.3	0	0	0	0	109.6	Y385 F428 H429	T383-Y385 HydrophobicContact CG2-CD1 4.26Å; T383-Y385 HydrophobicContact CG2-CD2 4.42Å; T383-Y385 HydrophobicContact CG2-CE1 3.69Å; T383-Y385 HydrophobicContact CG2-CE2 3.86Å; T383-Y385 VanDerWaalsContact CG2-CZ 3.48Å; T383-Y385 WeakPolarHBondContact O-CD2 3.24Å; T383-Y385 VanDerWaalsContact O-CE2 3.29Å; T383-Y385 WeakPolarHBondContact O-CE2 3.45Å; T383-F428 WeakPolarHBondContact O-CA 3.05Å; T383-F428 WeakPolarHBondContact O-CD2 3.49Å; T383-H429 PolarHBondContact N-O 3.36Å; T383-H429 PolarHBondContact O-N 3.12Å
384	Y	98.1	Very high	95.7	Very high	29 Å²	29	62.7 Å²	62.7	11%	0.114	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.4	171.8	-174.5	-93.4	0	0	0	110.5	E365 K369 L372 P386 G426 I427 F428 V439	E365-Y384 HydrophobicContact CG-CE1 4.22Å; E365-Y384 WeakPolarHBondContact CG-OH 3.37Å; E365-Y384 WeakPolarHBondContact OE1-CE1 3.25Å; E365-Y384 PolarHBondContact OE1-OH 2.91Å; K369-Y384 HydrophobicContact CD-CD1 3.81Å; K369-Y384 HydrophobicContact CD-CE1 3.74Å; K369-Y384 HydrophobicContact CD-CG 4.47Å; K369-Y384 HydrophobicContact CG-CD1 3.67Å; K369-Y384 HydrophobicContact CG-CD2 4.12Å; K369-Y384 HydrophobicContact CG-CE1 3.8Å; K369-Y384 HydrophobicContact CG-CE2 4.26Å; K369-Y384 HydrophobicContact CG-CG 3.83Å; L372-Y384 HydrophobicContact CD1-CD2 3.59Å; L372-Y384 HydrophobicContact CD1-CE2 4.2Å; Y384-P386 HydrophobicContact CE1-CB 4.05Å; Y384-G426 VanDerWaalsContact OH-CA 3.24Å; Y384-G426 WeakPolarHBondContact OH-CA 3.19Å; Y384-G426 PolarHBondContact OH-N 3.38Å; Y384-I427 CarbonylContact C-O 3.49Å; Y384-F428 HydrophobicContact CD2-CB 4.1Å; Y384-V439 HydrophobicContact CE2-CB 4.28Å; Y384-V439 HydrophobicContact CE2-CG2 3.74Å
385	Y	97.5	Very high	95.5	Very high	57 Å²	57	65 Å²	65	22%	0.224	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	100	-179.6	-55.9	-84.9	0	0	0	108.9	T383 V394 L398 G426 I427 H429	T383-Y385 HydrophobicContact CG2-CD1 4.26Å; T383-Y385 HydrophobicContact CG2-CD2 4.42Å; T383-Y385 HydrophobicContact CG2-CE1 3.69Å; T383-Y385 HydrophobicContact CG2-CE2 3.86Å; T383-Y385 VanDerWaalsContact CG2-CZ 3.48Å; T383-Y385 WeakPolarHBondContact O-CD2 3.24Å; T383-Y385 VanDerWaalsContact O-CE2 3.29Å; T383-Y385 WeakPolarHBondContact O-CE2 3.45Å; Y385-V394 HydrophobicContact CD1-CG1 3.69Å; Y385-V394 HydrophobicContact CE1-CG1 4.17Å; Y385-V394 HydrophobicContact CG-CG1 4.38Å; Y385-L398 HydrophobicContact CG-CD1 4.38Å; Y385-G426 CarbonylContact O-C 3.59Å; Y385-G426 WeakPolarHBondContact O-CA 3.36Å; Y385-I427 WeakPolarHBondContact CD2-O 3.47Å; Y385-I427 PolarHBondContact N-O 3.07Å; Y385-I427 PolarHBondContact O-N 2.92Å; Y385-H429 AromaticContact CE2-CD2 3.6Å; Y385-H429 AromaticContact CE2-CE1 3.99Å; Y385-H429 AromaticContact CE2-NE2 3.28Å; Y385-H429 VanDerWaalsContact CE2-NE2 3.28Å; Y385-H429 WeakPolarHBondContact CE2-NE2 3.39Å; Y385-H429 AromaticContact CZ-NE2 3.82Å
386	P	97.3	Very high	95.3	Very high	49 Å²	49	71.5 Å²	71.5	32%	0.318	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	138.7	173.3	27.7	-32.8	0	0	0	109.5	Y384 K388	Y384-P386 HydrophobicContact CE1-CB 4.05Å; P386-K388 VanDerWaalsContact C-N 3.33Å
387	L	95.5	Very high	95.3	Very high	23 Å²	23	70.2 Å²	70.2	12%	0.12	38%	0.376	C	S	.	.	S	Bend	trans	-68.1	-37.3	173.8	-89.5	65.2	0	0	0	110.6	G389 M390 L404 F405 W421 P422 R425 I427	L387-G389 PolarHBondContact O-N 2.76Å; L387-M390 HydrophobicContact CD1-CE 4.15Å; L387-M390 HydrophobicContact CG-CE 4.38Å; L387-M390 WeakPolarHBondContact O-CB 3.19Å; L387-M390 PolarHBondContact O-N 2.8Å; L387-L404 HydrophobicContact CD1-CD1 4.5Å; L387-L404 HydrophobicContact CG-CD1 4.43Å; L387-F405 HydrophobicContact CD1-CE1 4.33Å; L387-F405 HydrophobicContact CD1-CE2 4.42Å; L387-F405 HydrophobicContact CD1-CZ 3.92Å; L387-F405 HydrophobicContact CD2-CD2 4.4Å; L387-F405 HydrophobicContact CD2-CE2 3.77Å; L387-F405 HydrophobicContact CD2-CZ 4.11Å; L387-W421 HydrophobicContact CD2-CH2 3.87Å; L387-W421 HydrophobicContact CD2-CZ2 3.54Å; L387-P422 HydrophobicContact CB-CB 3.88Å; L387-R425 HydrophobicContact CB-CB 4.25Å; L387-R425 HydrophobicContact CD1-CB 4.33Å; L387-R425 HydrophobicContact CD2-CB 3.92Å; L387-R425 HydrophobicContact CG-CB 4.39Å; L387-R425 PolarHBondContact N-O 2.83Å; L387-I427 HydrophobicContact CD1-CD1 4.14Å; L387-I427 HydrophobicContact CD1-CG1 4.13Å
388	K	94.8	Very high	95.2	Very high	131 Å²	131	66.1 Å²	66.1	57%	0.57	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	118.1	174	-176.5	174.5	178.5	-179.2	0	109.9	P386 M390 P422 L423	P386-K388 VanDerWaalsContact C-N 3.33Å; K388-M390 VanDerWaalsContact C-N 3.33Å; K388-P422 HydrophobicContact CB-CG 4.38Å; K388-L423 HydrophobicContact CD-CD1 3.45Å; K388-L423 VanDerWaalsContact CD-CD1 3.45Å; K388-L423 VanDerWaalsContact NZ-CD1 3.32Å
389	G	93.4	Very high	95	Very high	75 Å²	75	65.4 Å²	65.4	77%	0.773	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	9.9	179.9	0	0	0	0	0	114.5	L387 T391	L387-G389 PolarHBondContact O-N 2.76Å; G389-T391 PolarHBondContact O-N 2.84Å
390	M	94.4	Very high	94.6	Very high	32 Å²	32	70.2 Å²	70.2	16%	0.158	37%	0.372	C	S	.	.			trans	-58.8	130.3	173.4	-171.5	178.1	-75.3	0	0	110.6	L387 K388 V394 Q395 L398 L404	L387-M390 HydrophobicContact CD1-CE 4.15Å; L387-M390 HydrophobicContact CG-CE 4.38Å; L387-M390 WeakPolarHBondContact O-CB 3.19Å; L387-M390 PolarHBondContact O-N 2.8Å; K388-M390 VanDerWaalsContact C-N 3.33Å; M390-V394 HydrophobicContact CG-CB 4.08Å; M390-V394 HydrophobicContact CG-CG1 3.86Å; M390-V394 HydrophobicContact SD-CG1 4.24Å; M390-Q395 HydrophobicContact CG-CB 4.18Å; M390-Q395 HydrophobicContact SD-CB 3.85Å; M390-Q395 HydrophobicContact SD-CG 4.18Å; M390-L398 HydrophobicContact CE-CD1 3.48Å; M390-L398 VanDerWaalsContact CE-CD1 3.48Å; M390-L398 HydrophobicContact SD-CD1 3.84Å; M390-L404 HydrophobicContact CE-CD1 4.12Å; M390-L404 HydrophobicContact SD-CD1 4.03Å
391	T	94.5	Very high	94.1	Very high	71 Å²	71	71.4 Å²	71.4	44%	0.436	38%	0.378	S	S	.	.			trans	-71	154.7	176.2	72.1	0	0	0	0	110.8	G389 E393 V394 Q395	G389-T391 PolarHBondContact O-N 2.84Å; T391-E393 WeakPolarHBondContact CB-OE2 3.29Å; T391-E393 PolarHBondContact O-N 2.81Å; T391-E393 PolarHBondContact OG1-OE2 3.47Å; T391-V394 PolarHBondContact O-N 2.77Å; T391-V394 WeakPolarHBondContact OG1-CG2 3.48Å; T391-V394 PolarHBondContact OG1-N 3.21Å; T391-Q395 WeakPolarHBondContact O-CB 3.2Å; T391-Q395 PolarHBondContact O-N 2.92Å
392	T	93.6	Very high	93.5	Very high	76 Å²	76	67.8 Å²	67.8	47%	0.466	37%	0.367	S	S	.	.	H	α-helix	trans	-61.8	-31.5	179.3	-56.2	0	0	0	0	112.1	K396	T392-K396 HydrophobicContact CG2-CD 4.24Å; T392-K396 HydrophobicContact CG2-CG 4.48Å; T392-K396 WeakPolarHBondContact O-CB 3.19Å; T392-K396 VanDerWaalsContact O-CG 3.26Å; T392-K396 WeakPolarHBondContact O-CG 3.24Å; T392-K396 PolarHBondContact O-N 3.1Å
393	E	94.7	Very high	93.1	Very high	135 Å²	135	66.6 Å²	66.6	63%	0.631	36%	0.355	S	S	*	.	H	α-helix	trans	-67.4	-48.5	177.9	-61.6	66.4	-138.5	0	0	111.1	T391 Q395 K396 S397	T391-E393 WeakPolarHBondContact CB-OE2 3.29Å; T391-E393 PolarHBondContact O-N 2.81Å; T391-E393 PolarHBondContact OG1-OE2 3.47Å; E393-Q395 VanDerWaalsContact C-N 3.35Å; E393-K396 PolarHBondContact O-N 3.18Å; E393-S397 PolarHBondContact O-N 3.44Å
394	V	93.9	Very high	92.7	Very high	44 Å²	44	64.8 Å²	64.8	27%	0.267	34%	0.342	S	S	.	.	H	α-helix	trans	-64.1	-43.8	176.4	172.6	0	0	0	0	109.9	Y385 M390 T391 K396 S397 L398	Y385-V394 HydrophobicContact CD1-CG1 3.69Å; Y385-V394 HydrophobicContact CE1-CG1 4.17Å; Y385-V394 HydrophobicContact CG-CG1 4.38Å; M390-V394 HydrophobicContact CG-CB 4.08Å; M390-V394 HydrophobicContact CG-CG1 3.86Å; M390-V394 HydrophobicContact SD-CG1 4.24Å; T391-V394 PolarHBondContact O-N 2.77Å; T391-V394 WeakPolarHBondContact OG1-CG2 3.48Å; T391-V394 PolarHBondContact OG1-N 3.21Å; V394-K396 PolarHBondContact O-N 2.77Å; V394-S397 WeakPolarHBondContact O-CB 3.45Å; V394-S397 PolarHBondContact O-N 2.97Å; V394-S397 VanDerWaalsContact O-N 3.16Å; V394-L398 HydrophobicContact CG1-CD1 3.88Å; V394-L398 HydrophobicContact CG1-CG 4.25Å; V394-L398 WeakPolarHBondContact O-CG 3.46Å; V394-L398 PolarHBondContact O-N 3.36Å
395	Q	92.6	Very high	92.1	Very high	83 Å²	83	63.9 Å²	63.9	39%	0.388	34%	0.338	S	S	.	.	H	α-helix	trans	-57.4	-47.6	177	-169.3	-175.5	-10.8	0	0	111.5	M390 T391 E393 S397 L398 I399 L404	M390-Q395 HydrophobicContact CG-CB 4.18Å; M390-Q395 HydrophobicContact SD-CB 3.85Å; M390-Q395 HydrophobicContact SD-CG 4.18Å; T391-Q395 WeakPolarHBondContact O-CB 3.2Å; T391-Q395 PolarHBondContact O-N 2.92Å; E393-Q395 VanDerWaalsContact C-N 3.35Å; Q395-S397 PolarHBondContact O-N 2.99Å; Q395-L398 PolarHBondContact O-N 3.26Å; Q395-I399 HydrophobicContact CG-CD1 4.06Å; Q395-I399 VanDerWaalsContact O-CG1 3.23Å; Q395-I399 WeakPolarHBondContact O-CG1 3.27Å; Q395-I399 PolarHBondContact O-N 2.83Å; Q395-L404 HydrophobicContact CG-CD2 3.54Å
396	K	92.8	Very high	91.3	Very high	141 Å²	141	68 Å²	68	61%	0.613	36%	0.357	S	S	*	.	H	α-helix	trans	-62.4	-40.8	175.9	-77	174.5	179.1	177.6	0	112.2	T392 E393 V394 I399 K400	T392-K396 HydrophobicContact CG2-CD 4.24Å; T392-K396 HydrophobicContact CG2-CG 4.48Å; T392-K396 WeakPolarHBondContact O-CB 3.19Å; T392-K396 VanDerWaalsContact O-CG 3.26Å; T392-K396 WeakPolarHBondContact O-CG 3.24Å; T392-K396 PolarHBondContact O-N 3.1Å; E393-K396 PolarHBondContact O-N 3.18Å; V394-K396 PolarHBondContact O-N 2.77Å; K396-I399 PolarHBondContact O-N 2.96Å; K396-K400 WeakPolarHBondContact O-CB 3.42Å; K396-K400 PolarHBondContact O-N 2.86Å
397	S	92.7	Very high	90.2	Very high	59 Å²	59	70.3 Å²	70.3	41%	0.413	36%	0.364	S	S	.	.	H	α-helix	trans	-61.4	-48	175.7	-168.5	0	0	0	0	111.3	E393 V394 Q395 I399 K400 D401	E393-S397 PolarHBondContact O-N 3.44Å; V394-S397 WeakPolarHBondContact O-CB 3.45Å; V394-S397 PolarHBondContact O-N 2.97Å; V394-S397 VanDerWaalsContact O-N 3.16Å; Q395-S397 PolarHBondContact O-N 2.99Å; S397-I399 VanDerWaalsContact C-N 3.32Å; S397-I399 PolarHBondContact O-N 3.3Å; S397-K400 PolarHBondContact O-N 3.34Å; S397-D401 WeakPolarHBondContact O-CB 3.46Å; S397-D401 VanDerWaalsContact O-CG 3.23Å; S397-D401 PolarHBondContact O-N 3.42Å; S397-D401 PolarHBondContact OG-OD2 2.76Å
398	L	92.7	Very high	89	Confident	2 Å²	2	71.3 Å²	71.3	1%	0.01	38%	0.38	C	S	.	.	H	α-helix	trans	-68	-30.5	179.9	-66.5	175	0	0	0	112.5	Y385 M390 V394 Q395 D401 H402 F403 L404 I427	Y385-L398 HydrophobicContact CG-CD1 4.38Å; M390-L398 HydrophobicContact CE-CD1 3.48Å; M390-L398 VanDerWaalsContact CE-CD1 3.48Å; M390-L398 HydrophobicContact SD-CD1 3.84Å; V394-L398 HydrophobicContact CG1-CD1 3.88Å; V394-L398 HydrophobicContact CG1-CG 4.25Å; V394-L398 WeakPolarHBondContact O-CG 3.46Å; V394-L398 PolarHBondContact O-N 3.36Å; Q395-L398 PolarHBondContact O-N 3.26Å; L398-D401 CarbonylContact O-C 3.58Å; L398-H402 CarbonylContact O-C 3.45Å; L398-H402 WeakPolarHBondContact O-CA 3.42Å; L398-H402 PolarHBondContact O-N 3.07Å; L398-F403 HydrophobicContact CB-CB 4.38Å; L398-F403 HydrophobicContact CD2-CB 3.96Å; L398-F403 HydrophobicContact CD2-CD2 3.85Å; L398-F403 HydrophobicContact CD2-CG 4.41Å; L398-F403 PolarHBondContact O-N 2.79Å; L398-L404 HydrophobicContact CB-CB 3.91Å; L398-L404 PolarHBondContact O-N 2.84Å; L398-L404 VanDerWaalsContact O-N 3.09Å; L398-I427 HydrophobicContact CD1-CD1 4.13Å
399	I	90.1	Very high	88.5	Confident	89 Å²	89	67.8 Å²	67.8	46%	0.456	37%	0.368	S	S	.	.	H	α-helix	trans	-67.4	-46.1	170.8	-70.4	165.1	0	0	0	110.5	Q395 K396 S397 D401 H402 L404	Q395-I399 HydrophobicContact CG-CD1 4.06Å; Q395-I399 VanDerWaalsContact O-CG1 3.23Å; Q395-I399 WeakPolarHBondContact O-CG1 3.27Å; Q395-I399 PolarHBondContact O-N 2.83Å; K396-I399 PolarHBondContact O-N 2.96Å; S397-I399 VanDerWaalsContact C-N 3.32Å; S397-I399 PolarHBondContact O-N 3.3Å; I399-D401 VanDerWaalsContact C-N 3.29Å; I399-D401 PolarHBondContact O-N 3.36Å; I399-H402 VanDerWaalsContact O-CA 3.25Å; I399-H402 WeakPolarHBondContact O-CA 3.48Å; I399-H402 PolarHBondContact O-N 3.05Å; I399-L404 HydrophobicContact CD1-CD2 3.83Å; I399-L404 HydrophobicContact CG1-CB 3.98Å; I399-L404 HydrophobicContact CG1-CD2 3.46Å; I399-L404 VanDerWaalsContact CG1-CD2 3.46Å; I399-L404 HydrophobicContact CG1-CG 4.34Å
400	K	87.6	Confident	88.2	Confident	144 Å²	144	69.3 Å²	69.3	63%	0.626	35%	0.35	S	S	*	.	H	α-helix	trans	-63.4	-37.6	178.5	-178.3	-174.9	175.9	-173.5	0	111.9	K396 S397 H402	K396-K400 WeakPolarHBondContact O-CB 3.42Å; K396-K400 PolarHBondContact O-N 2.86Å; S397-K400 PolarHBondContact O-N 3.34Å; K400-H402 PolarHBondContact O-CD2 3.06Å; K400-H402 PolarHBondContact O-N 3.12Å
401	D	88.4	Confident	87.9	Confident	26 Å²	26	70 Å²	70	14%	0.139	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	1.8	172.4	-63.6	-41.1	0	0	0	112	Y5 S397 L398 I399 F403 K433	Y5-D401 WeakPolarHBondContact CD2-O 3.42Å; Y5-D401 WeakPolarHBondContact CE2-O 3.46Å; Y5-D401 VanDerWaalsContact CG-O 3.3Å; S397-D401 WeakPolarHBondContact O-CB 3.46Å; S397-D401 VanDerWaalsContact O-CG 3.23Å; S397-D401 PolarHBondContact O-N 3.42Å; S397-D401 PolarHBondContact OG-OD2 2.76Å; L398-D401 CarbonylContact O-C 3.58Å; I399-D401 VanDerWaalsContact C-N 3.29Å; I399-D401 PolarHBondContact O-N 3.36Å; D401-F403 HydrophobicContact CB-CD2 3.42Å; D401-F403 VanDerWaalsContact CB-CD2 3.42Å; D401-F403 HydrophobicContact CB-CE2 3.72Å; D401-F403 HydrophobicContact CB-CG 4.03Å; D401-F403 PolarHBondContact O-N 3.38Å; D401-K433 IonicContact OD1-NZ 3.46Å; D401-K433 PolarHBondContact OD1-NZ 3.31Å; D401-K433 WeakPolarHBondContact OD2-CE 3.44Å; D401-K433 IonicContact OD2-NZ 3.42Å; D401-K433 PolarHBondContact OD2-NZ 3.24Å
402	H	83.5	Confident	87.7	Confident	60 Å²	60	67.2 Å²	67.2	28%	0.278	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	14.5	-177.5	-62.2	-109.2	0	0	0	115.2	D2 Y5 L398 I399 K400	D2-H402 VanDerWaalsContact C-NE2 3.28Å; D2-H402 WeakPolarHBondContact CA-CD2 3.49Å; D2-H402 WeakPolarHBondContact CA-NE2 3.3Å; D2-H402 VanDerWaalsContact CB-NE2 3.29Å; D2-H402 WeakPolarHBondContact CB-NE2 3.46Å; D2-H402 WeakPolarHBondContact O-CB 3.43Å; D2-H402 PolarHBondContact O-CD2 2.86Å; D2-H402 PolarHBondContact O-NE2 2.71Å; Y5-H402 VanDerWaalsContact CB-C 3.41Å; Y5-H402 VanDerWaalsContact CB-CB 3.41Å; Y5-H402 WeakPolarHBondContact CB-O 3.12Å; Y5-H402 HydrophobicContact CD2-CB 4.01Å; Y5-H402 HydrophobicContact CG-CB 4.14Å; L398-H402 CarbonylContact O-C 3.45Å; L398-H402 WeakPolarHBondContact O-CA 3.42Å; L398-H402 PolarHBondContact O-N 3.07Å; I399-H402 VanDerWaalsContact O-CA 3.25Å; I399-H402 WeakPolarHBondContact O-CA 3.48Å; I399-H402 PolarHBondContact O-N 3.05Å; K400-H402 PolarHBondContact O-CD2 3.06Å; K400-H402 PolarHBondContact O-N 3.12Å
403	F	90	Very high	87.6	Confident	0 Å²	0	68 Å²	68	0%	0	33%	0.333	C	S	.	.			trans	-73.1	-27.8	176.6	-67.7	-41.3	0	0	0	114	Y5 L398 D401 F405 I427 H429 K433 L436 W438	Y5-F403 AromaticContact CD1-CD1 3.42Å; Y5-F403 HydrophobicContact CD1-CD1 3.42Å; Y5-F403 VanDerWaalsContact CD1-CD1 3.42Å; Y5-F403 AromaticContact CD1-CE1 3.36Å; Y5-F403 HydrophobicContact CD1-CE1 3.36Å; Y5-F403 HydrophobicContact CD1-CZ 4.48Å; Y5-F403 HydrophobicContact CD2-CD1 4.47Å; Y5-F403 HydrophobicContact CD2-CE1 4.49Å; Y5-F403 AromaticContact CE1-CD1 3.51Å; Y5-F403 HydrophobicContact CE1-CD1 3.51Å; Y5-F403 AromaticContact CE1-CE1 2.9Å; Y5-F403 HydrophobicContact CE1-CE1 2.9Å; Y5-F403 AromaticContact CE1-CZ 3.74Å; Y5-F403 HydrophobicContact CE1-CZ 3.74Å; Y5-F403 HydrophobicContact CE2-CD1 4.5Å; Y5-F403 HydrophobicContact CE2-CE1 4.12Å; Y5-F403 HydrophobicContact CE2-CZ 4.46Å; Y5-F403 AromaticContact CG-CD1 3.92Å; Y5-F403 HydrophobicContact CG-CD1 3.92Å; Y5-F403 HydrophobicContact CG-CE1 4.14Å; Y5-F403 AromaticContact CZ-CE1 3.3Å; Y5-F403 AromaticContact CZ-CZ 3.67Å; L398-F403 HydrophobicContact CB-CB 4.38Å; L398-F403 HydrophobicContact CD2-CB 3.96Å; L398-F403 HydrophobicContact CD2-CD2 3.85Å; L398-F403 HydrophobicContact CD2-CG 4.41Å; L398-F403 PolarHBondContact O-N 2.79Å; D401-F403 HydrophobicContact CB-CD2 3.42Å; D401-F403 VanDerWaalsContact CB-CD2 3.42Å; D401-F403 HydrophobicContact CB-CE2 3.72Å; D401-F403 HydrophobicContact CB-CG 4.03Å; D401-F403 PolarHBondContact O-N 3.38Å; F403-F405 PolarHBondContact O-N 3.45Å; F403-F405 VanDerWaalsContact O-N 3.09Å; F403-I427 HydrophobicContact CB-CG2 4.38Å; F403-I427 WeakPolarHBondContact O-CD1 3.14Å; F403-H429 AromaticContact CD2-CD2 3.92Å; F403-H429 HydrophobicContact CE2-CB 4.49Å; F403-H429 AromaticContact CE2-CD2 3.86Å; F403-H429 HydrophobicContact CZ-CB 4.44Å; F403-K433 HydrophobicContact CE2-CB 4.25Å; F403-K433 HydrophobicContact CE2-CD 3.76Å; F403-K433 HydrophobicContact CE2-CG 3.76Å; F403-K433 HydrophobicContact CZ-CB 3.71Å; F403-K433 HydrophobicContact CZ-CD 4Å; F403-K433 HydrophobicContact CZ-CG 3.75Å; F403-L436 HydrophobicContact CB-CD1 4.28Å; F403-L436 HydrophobicContact CD1-CD1 3.58Å; F403-L436 HydrophobicContact CD1-CD2 3.56Å; F403-L436 HydrophobicContact CD1-CG 4.2Å; F403-L436 HydrophobicContact CE1-CB 4.43Å; F403-L436 HydrophobicContact CE1-CD1 3.77Å; F403-L436 HydrophobicContact CE1-CD2 3.75Å; F403-L436 HydrophobicContact CE1-CG 4.21Å; F403-L436 HydrophobicContact CG-CD1 3.97Å; F403-L436 HydrophobicContact CZ-CD1 4.44Å; F403-W438 PolarHBondContact O-NE1 2.91Å
404	L	88.1	Confident	87.3	Confident	34 Å²	34	62.9 Å²	62.9	18%	0.178	31%	0.314	C	S	.	.			trans	-71.5	105.7	-175.5	-168.6	68	0	0	0	110.6	L387 M390 Q395 L398 I399 I427	L387-L404 HydrophobicContact CD1-CD1 4.5Å; L387-L404 HydrophobicContact CG-CD1 4.43Å; M390-L404 HydrophobicContact CE-CD1 4.12Å; M390-L404 HydrophobicContact SD-CD1 4.03Å; Q395-L404 HydrophobicContact CG-CD2 3.54Å; L398-L404 HydrophobicContact CB-CB 3.91Å; L398-L404 PolarHBondContact O-N 2.84Å; L398-L404 VanDerWaalsContact O-N 3.09Å; I399-L404 HydrophobicContact CD1-CD2 3.83Å; I399-L404 HydrophobicContact CG1-CB 3.98Å; I399-L404 HydrophobicContact CG1-CD2 3.46Å; I399-L404 VanDerWaalsContact CG1-CD2 3.46Å; I399-L404 HydrophobicContact CG1-CG 4.34Å; L404-I427 HydrophobicContact CB-CD1 4.4Å; L404-I427 HydrophobicContact CD1-CD1 3.59Å
405	F	87	Confident	87.1	Confident	10 Å²	10	62 Å²	62	4%	0.044	31%	0.311	C	S	.	.			trans	-72.5	138.2	163.7	62.1	-93.9	0	0	0	109.3	L387 F403 W421 R425 G426 I427 W438 E441	L387-F405 HydrophobicContact CD1-CE1 4.33Å; L387-F405 HydrophobicContact CD1-CE2 4.42Å; L387-F405 HydrophobicContact CD1-CZ 3.92Å; L387-F405 HydrophobicContact CD2-CD2 4.4Å; L387-F405 HydrophobicContact CD2-CE2 3.77Å; L387-F405 HydrophobicContact CD2-CZ 4.11Å; F403-F405 PolarHBondContact O-N 3.45Å; F403-F405 VanDerWaalsContact O-N 3.09Å; F405-W421 AromaticContact CD2-CH2 3.64Å; F405-W421 HydrophobicContact CD2-CH2 3.64Å; F405-W421 HydrophobicContact CD2-CZ3 4.37Å; F405-W421 AromaticContact CE2-CH2 3.59Å; F405-W421 HydrophobicContact CE2-CH2 3.59Å; F405-W421 HydrophobicContact CE2-CZ3 4.09Å; F405-R425 HydrophobicContact CE2-CB 4.19Å; F405-R425 HydrophobicContact CE2-CG 4.19Å; F405-R425 HydrophobicContact CZ-CB 4.12Å; F405-R425 HydrophobicContact CZ-CG 4.44Å; F405-G426 WeakPolarHBondContact CE1-O 3.49Å; F405-I427 HydrophobicContact CD1-CD1 3.98Å; F405-I427 HydrophobicContact CD1-CG1 3.74Å; F405-I427 HydrophobicContact CE1-CD1 4.03Å; F405-I427 HydrophobicContact CE1-CG1 3.38Å; F405-I427 HydrophobicContact CZ-CG1 4.36Å; F405-W438 HydrophobicContact CB-CD2 4.25Å; F405-W438 HydrophobicContact CB-CE3 4.09Å; F405-W438 HydrophobicContact CB-CH2 4.12Å; F405-W438 HydrophobicContact CB-CZ2 4.25Å; F405-W438 HydrophobicContact CB-CZ3 4.03Å; F405-W438 HydrophobicContact CD1-CB 3.86Å; F405-W438 AromaticContact CD1-CD1 3.68Å; F405-W438 AromaticContact CD1-CD2 3.56Å; F405-W438 HydrophobicContact CD1-CD2 3.56Å; F405-W438 AromaticContact CD1-CE2 3.87Å; F405-W438 HydrophobicContact CD1-CE3 4.08Å; F405-W438 AromaticContact CD1-CG 3.46Å; F405-W438 HydrophobicContact CD1-CG 3.46Å; F405-W438 VanDerWaalsContact CD1-CG 3.46Å; F405-W438 AromaticContact CD1-NE1 3.88Å; F405-W438 HydrophobicContact CE1-CB 3.65Å; F405-W438 AromaticContact CE1-CD1 3.95Å; F405-W438 HydrophobicContact CE1-CD2 4.29Å; F405-W438 AromaticContact CE1-CG 3.72Å; F405-W438 HydrophobicContact CE1-CG 3.72Å; F405-W438 HydrophobicContact CG-CD2 4.23Å; F405-W438 HydrophobicContact CG-CE3 4.32Å; F405-W438 HydrophobicContact CG-CG 4.49Å; F405-E441 HydrophobicContact CB-CG 3.87Å; F405-E441 HydrophobicContact CD1-CB 4.42Å; F405-E441 HydrophobicContact CD1-CG 4.23Å; F405-E441 HydrophobicContact CD2-CB 3.83Å; F405-E441 HydrophobicContact CD2-CG 3.37Å; F405-E441 HydrophobicContact CE1-CB 4.36Å; F405-E441 HydrophobicContact CE2-CB 3.8Å; F405-E441 HydrophobicContact CE2-CG 3.9Å; F405-E441 HydrophobicContact CG-CB 4.16Å; F405-E441 HydrophobicContact CG-CG 3.58Å; F405-E441 HydrophobicContact CZ-CB 4.07Å; F405-E441 HydrophobicContact CZ-CG 4.49Å
406	K	79.3	Confident	87.1	Confident	143 Å²	143	62 Å²	62	62%	0.622	31%	0.313	S	S	*	.			trans	-110	151.6	-172.5	56.3	-178.5	174.8	-177.6	0	111	S9	S9-K406 PolarHBondContact O-NZ 3.23Å
407	E	75	Confident	87	Confident	98 Å²	98	55.3 Å²	55.3	46%	0.458	29%	0.285	S	S	.	.	S	Bend	trans	-61.7	153.9	163.8	-154.6	-173.7	166.1	0	0	109.5	W421	E407-W421 HydrophobicContact CB-CD2 4.11Å; E407-W421 HydrophobicContact CB-CG 4.34Å; E407-W421 HydrophobicContact CB-CZ2 3.91Å; E407-W421 VanDerWaalsContact CD-CD1 3.5Å; E407-W421 HydrophobicContact CG-CD2 3.9Å; E407-W421 HydrophobicContact CG-CG 3.87Å
408	G	69.8	Low	86.9	Confident	44 Å²	44	53.5 Å²	53.5	45%	0.454	27%	0.272	S	S	.	.			trans	112.7	7.3	169.5	0	0	0	0	0	115.4	R410	G408-R410 PolarHBondContact O-N 3.24Å
409	D	84.7	Confident	86.8	Confident	58 Å²	58	57 Å²	57	31%	0.31	29%	0.285	S	S	.	.			trans	-63.1	109.9	161.4	-172.7	-59.4	0	0	0	108.6	F411 L412 Q413	D409-F411 PolarHBondContact O-N 3.02Å; D409-F411 VanDerWaalsContact OD1-CA 3.29Å; D409-F411 WeakPolarHBondContact OD1-CA 3.35Å; D409-F411 WeakPolarHBondContact OD1-CB 3.45Å; D409-F411 WeakPolarHBondContact OD1-CD2 3.48Å; D409-F411 PolarHBondContact OD1-N 3.35Å; D409-L412 HydrophobicContact CB-CB 4.07Å; D409-L412 HydrophobicContact CB-CD1 3.96Å; D409-L412 HydrophobicContact CB-CG 3.82Å; D409-L412 PolarHBondContact O-N 2.74Å; D409-L412 PolarHBondContact OD1-N 2.9Å; D409-Q413 WeakPolarHBondContact O-CG 3.49Å; D409-Q413 PolarHBondContact O-N 3.38Å
410	R	86.7	Confident	86.9	Confident	106 Å²	106	56.4 Å²	56.4	40%	0.4	28%	0.279	S	S	.	.	H	α-helix	trans	-64.4	-22.6	-177.1	66.2	177.2	173.1	117.9	-2.1	113.4	N275 D277 G408 A414	N275-R410 PolarHBondContact ND2-O 3.03Å; N275-R410 PolarHBondContact OD1-NH1 2.97Å; N275-R410 VanDerWaalsContact OD1-NH1 3.15Å; D277-R410 IonicContact OD1-CZ 3.66Å; D277-R410 IonicContact OD1-NH1 3.56Å; D277-R410 PolarHBondContact OD1-NH1 3.49Å; D277-R410 IonicContact OD1-NH2 3.45Å; D277-R410 PolarHBondContact OD1-NH2 3.17Å; D277-R410 IonicContact OD2-CZ 3.26Å; D277-R410 IonicContact OD2-NH1 3.78Å; D277-R410 PolarHBondContact OD2-NH1 3.15Å; D277-R410 IonicContact OD2-NH2 3.36Å; D277-R410 PolarHBondContact OD2-NH2 3.48Å; G408-R410 PolarHBondContact O-N 3.24Å; R410-A414 WeakPolarHBondContact O-CB 3.32Å; R410-A414 PolarHBondContact O-N 2.8Å
411	F	89.3	Confident	87.2	Confident	47 Å²	47	52.4 Å²	52.4	21%	0.206	26%	0.26	C	S	.	.	H	α-helix	trans	-75.7	-47.2	175.1	-54.4	-77.3	0	0	0	110	N275 Y283 D409 Q413 A414 A415	N275-F411 HydrophobicContact CB-CD1 3.76Å; N275-F411 HydrophobicContact CB-CE1 3.76Å; Y283-F411 WeakPolarHBondContact OH-CB 3.48Å; D409-F411 PolarHBondContact O-N 3.02Å; D409-F411 VanDerWaalsContact OD1-CA 3.29Å; D409-F411 WeakPolarHBondContact OD1-CA 3.35Å; D409-F411 WeakPolarHBondContact OD1-CB 3.45Å; D409-F411 WeakPolarHBondContact OD1-CD2 3.48Å; D409-F411 PolarHBondContact OD1-N 3.35Å; F411-Q413 VanDerWaalsContact C-N 3.35Å; F411-Q413 PolarHBondContact O-N 3.15Å; F411-A414 PolarHBondContact O-N 3.47Å; F411-A415 WeakPolarHBondContact O-CB 3.17Å; F411-A415 PolarHBondContact O-N 3.49Å
412	L	90	Very high	87.4	Confident	13 Å²	13	53.5 Å²	53.5	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-42.8	174.8	-59.6	-171.9	0	0	0	111.7	D409 A415 N416 A417 E442 F487	D409-L412 HydrophobicContact CB-CB 4.07Å; D409-L412 HydrophobicContact CB-CD1 3.96Å; D409-L412 HydrophobicContact CB-CG 3.82Å; D409-L412 PolarHBondContact O-N 2.74Å; D409-L412 PolarHBondContact OD1-N 2.9Å; L412-A415 CarbonylContact O-C 3.53Å; L412-A415 PolarHBondContact O-N 3.45Å; L412-N416 PolarHBondContact O-N 3.13Å; L412-N416 VanDerWaalsContact O-N 3.12Å; L412-A417 HydrophobicContact CB-CB 4.2Å; L412-A417 HydrophobicContact CD2-CB 4.47Å; L412-A417 PolarHBondContact O-N 2.91Å; L412-E442 HydrophobicContact CD1-CB 4.36Å; L412-E442 HydrophobicContact CD2-CB 4.28Å; L412-E442 HydrophobicContact CD2-CG 3.9Å; L412-F487 HydrophobicContact CD2-CD1 4.4Å; L412-F487 HydrophobicContact CD2-CE1 3.75Å
413	Q	90.4	Very high	88	Confident	91 Å²	91	51.1 Å²	51.1	43%	0.425	26%	0.258	S	S	.	.	H	α-helix	trans	-63.1	-44.9	174.8	-73.3	-179.1	-17.4	0	0	112.1	D409 F411 A415 N416 C418	D409-Q413 WeakPolarHBondContact O-CG 3.49Å; D409-Q413 PolarHBondContact O-N 3.38Å; F411-Q413 VanDerWaalsContact C-N 3.35Å; F411-Q413 PolarHBondContact O-N 3.15Å; Q413-A415 PolarHBondContact O-N 3.01Å; Q413-N416 PolarHBondContact O-N 3.43Å; Q413-N416 VanDerWaalsContact O-N 3.13Å; Q413-C418 HydrophobicContact CG-CB 4.17Å
414	A	88.9	Confident	88.3	Confident	28 Å²	28	51.1 Å²	51.1	23%	0.231	26%	0.258	C	S	.	.	H	α-helix	trans	-62.5	-35.2	179.8	0	0	0	0	0	112.5	K274 N275 R410 F411 N416	K274-A414 HydrophobicContact CB-CB 4.06Å; K274-A414 HydrophobicContact CD-CB 3.73Å; K274-A414 PolarHBondContact NZ-O 3.34Å; K274-A414 VanDerWaalsContact NZ-O 3.17Å; N275-A414 WeakPolarHBondContact ND2-CB 3.41Å; R410-A414 WeakPolarHBondContact O-CB 3.32Å; R410-A414 PolarHBondContact O-N 2.8Å; F411-A414 PolarHBondContact O-N 3.47Å; A414-N416 VanDerWaalsContact C-N 3.31Å
415	A	90.6	Very high	88.7	Confident	25 Å²	25	49.5 Å²	49.5	21%	0.207	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	11.6	178.3	0	0	0	0	0	113.8	Y283 P354 F411 L412 Q413 A417 F487	Y283-A415 HydrophobicContact CD2-CB 3.56Å; Y283-A415 HydrophobicContact CE2-CB 4.11Å; Y283-A415 HydrophobicContact CG-CB 4.02Å; P354-A415 WeakPolarHBondContact CG-O 3.4Å; F411-A415 WeakPolarHBondContact O-CB 3.17Å; F411-A415 PolarHBondContact O-N 3.49Å; L412-A415 CarbonylContact O-C 3.53Å; L412-A415 PolarHBondContact O-N 3.45Å; Q413-A415 PolarHBondContact O-N 3.01Å; A415-A417 VanDerWaalsContact C-N 3.25Å; A415-A417 PolarHBondContact O-N 3.23Å; A415-F487 HydrophobicContact CB-CE2 4.33Å; A415-F487 HydrophobicContact CB-CZ 3.6Å
416	N	90.9	Very high	89.2	Confident	83 Å²	83	49 Å²	49	44%	0.444	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	16.2	172.5	-155.7	32	0	0	0	115	P354 L412 Q413 A414 C418 R419	P354-N416 WeakPolarHBondContact CA-O 3.48Å; P354-N416 HydrophobicContact CB-CB 4.37Å; P354-N416 PolarHBondContact O-ND2 3.28Å; L412-N416 PolarHBondContact O-N 3.13Å; L412-N416 VanDerWaalsContact O-N 3.12Å; Q413-N416 PolarHBondContact O-N 3.43Å; Q413-N416 VanDerWaalsContact O-N 3.13Å; A414-N416 VanDerWaalsContact C-N 3.31Å; N416-C418 VanDerWaalsContact C-N 3.34Å; N416-C418 PolarHBondContact O-N 3.43Å; N416-R419 WeakPolarHBondContact ND2-CD 3.29Å; N416-R419 WeakPolarHBondContact O-CG 3.44Å; N416-R419 VanDerWaalsContact OD1-CD 3.32Å; N416-R419 WeakPolarHBondContact OD1-CD 3.13Å; N416-R419 VanDerWaalsContact OD1-CG 3.27Å; N416-R419 WeakPolarHBondContact OD1-CG 3.2Å
417	A	91.8	Very high	90.1	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-12.5	-178.3	0	0	0	0	0	114	N353 P354 Y361 L412 A415 R425 F487	N353-A417 HydrophobicContact CB-CB 3.9Å; P354-A417 HydrophobicContact CG-CB 4.44Å; Y361-A417 PolarHBondContact OH-O 2.9Å; L412-A417 HydrophobicContact CB-CB 4.2Å; L412-A417 HydrophobicContact CD2-CB 4.47Å; L412-A417 PolarHBondContact O-N 2.91Å; A415-A417 VanDerWaalsContact C-N 3.25Å; A415-A417 PolarHBondContact O-N 3.23Å; A417-R425 PolarHBondContact O-NH2 2.94Å; A417-F487 HydrophobicContact CB-CE1 4.23Å; A417-F487 HydrophobicContact CB-CZ 4.05Å
418	C	90.6	Very high	91.2	Very high	21 Å²	21	37.7 Å²	37.7	14%	0.142	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	15.8	179	-56.2	0	0	0	0	114.1	Q413 N416 W421	Q413-C418 HydrophobicContact CG-CB 4.17Å; N416-C418 VanDerWaalsContact C-N 3.34Å; N416-C418 PolarHBondContact O-N 3.43Å; C418-W421 WeakPolarHBondContact O-CB 3.24Å; C418-W421 PolarHBondContact O-N 2.92Å
419	R	89.5	Confident	92.6	Very high	76 Å²	76	36.4 Å²	36.4	29%	0.287	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	141	-178.1	-75.3	173.9	68.8	-152.8	0.5	112.3	P354 L356 N416 W421 R425	P354-R419 WeakPolarHBondContact O-CD 3.45Å; P354-R419 PolarHBondContact O-NH1 3.28Å; L356-R419 PolarHBondContact O-NH1 3.24Å; N416-R419 WeakPolarHBondContact ND2-CD 3.29Å; N416-R419 WeakPolarHBondContact O-CG 3.44Å; N416-R419 VanDerWaalsContact OD1-CD 3.32Å; N416-R419 WeakPolarHBondContact OD1-CD 3.13Å; N416-R419 VanDerWaalsContact OD1-CG 3.27Å; N416-R419 WeakPolarHBondContact OD1-CG 3.2Å; R419-W421 PolarHBondContact O-N 3.26Å; R419-R425 VanDerWaalsContact O-CZ 3.27Å; R419-R425 PolarHBondContact O-NH1 3.42Å; R419-R425 PolarHBondContact O-NH2 2.85Å
420	F	93.2	Very high	93.2	Very high	77 Å²	77	33.7 Å²	33.7	34%	0.338	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	21.1	179.3	-44	-71.8	0	0	0	114.3	E358 Y361 L423	E358-F420 HydrophobicContact CB-CD1 4.15Å; E358-F420 HydrophobicContact CB-CD2 4.36Å; E358-F420 HydrophobicContact CB-CE1 4.15Å; E358-F420 HydrophobicContact CB-CE2 4.35Å; E358-F420 HydrophobicContact CB-CG 4.25Å; E358-F420 HydrophobicContact CB-CZ 4.24Å; E358-F420 HydrophobicContact CG-CD1 4.25Å; E358-F420 HydrophobicContact CG-CG 4.35Å; Y361-F420 AromaticContact CD2-CD2 3.91Å; Y361-F420 HydrophobicContact CD2-CD2 3.91Å; Y361-F420 AromaticContact CE2-CD2 3.93Å; Y361-F420 HydrophobicContact CE2-CD2 3.93Å; F420-L423 HydrophobicContact CB-CB 4.36Å; F420-L423 WeakPolarHBondContact O-CB 3.39Å; F420-L423 PolarHBondContact O-N 2.88Å
421	W	92.9	Very high	93.6	Very high	60 Å²	60	36.9 Å²	36.9	23%	0.227	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	136.8	177.5	-172.8	-88.2	0	0	0	111.7	L387 F405 E407 C418 R419 R425	L387-W421 HydrophobicContact CD2-CH2 3.87Å; L387-W421 HydrophobicContact CD2-CZ2 3.54Å; F405-W421 AromaticContact CD2-CH2 3.64Å; F405-W421 HydrophobicContact CD2-CH2 3.64Å; F405-W421 HydrophobicContact CD2-CZ3 4.37Å; F405-W421 AromaticContact CE2-CH2 3.59Å; F405-W421 HydrophobicContact CE2-CH2 3.59Å; F405-W421 HydrophobicContact CE2-CZ3 4.09Å; E407-W421 HydrophobicContact CB-CD2 4.11Å; E407-W421 HydrophobicContact CB-CG 4.34Å; E407-W421 HydrophobicContact CB-CZ2 3.91Å; E407-W421 VanDerWaalsContact CD-CD1 3.5Å; E407-W421 HydrophobicContact CG-CD2 3.9Å; E407-W421 HydrophobicContact CG-CG 3.87Å; C418-W421 WeakPolarHBondContact O-CB 3.24Å; C418-W421 PolarHBondContact O-N 2.92Å; R419-W421 PolarHBondContact O-N 3.26Å; W421-R425 HydrophobicContact CE3-CG 4.22Å; W421-R425 HydrophobicContact CZ3-CG 3.98Å
422	P	94.1	Very high	93.9	Very high	48 Å²	48	39.3 Å²	39.3	31%	0.312	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	cis	-96.4	18.8	2.2	38	-36.1	0	0	0	114.5	L387 K388 R425	L387-P422 HydrophobicContact CB-CB 3.88Å; K388-P422 HydrophobicContact CB-CG 4.38Å; P422-R425 PolarHBondContact O-N 3.43Å
423	L	95.2	Very high	94.2	Very high	10 Å²	10	41.9 Å²	41.9	5%	0.052	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	136.6	-172.2	-167.8	77.1	0	0	0	112.6	E358 L362 K388 F420 R425	E358-L423 HydrophobicContact CB-CD2 4.4Å; E358-L423 HydrophobicContact CG-CD2 3.13Å; E358-L423 WeakPolarHBondContact OE1-CD2 3.39Å; L362-L423 HydrophobicContact CD1-CD1 4.49Å; L362-L423 HydrophobicContact CD1-CD2 4.18Å; L362-L423 HydrophobicContact CD2-CD1 3.78Å; L362-L423 HydrophobicContact CD2-CD2 4.3Å; L362-L423 HydrophobicContact CD2-CG 3.82Å; L362-L423 HydrophobicContact CG-CD1 4.36Å; L362-L423 HydrophobicContact CG-CD2 4.04Å; L362-L423 HydrophobicContact CG-CG 4.09Å; K388-L423 HydrophobicContact CD-CD1 3.45Å; K388-L423 VanDerWaalsContact CD-CD1 3.45Å; K388-L423 VanDerWaalsContact NZ-CD1 3.32Å; F420-L423 HydrophobicContact CB-CB 4.36Å; F420-L423 WeakPolarHBondContact O-CB 3.39Å; F420-L423 PolarHBondContact O-N 2.88Å; L423-R425 WeakPolarHBondContact O-CD 3.48Å; L423-R425 PolarHBondContact O-N 3.47Å; L423-R425 PolarHBondContact O-NH1 3.49Å
424	G	96.7	Very high	94.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	3.3	178.3	0	0	0	0	0	114.7	E365 N440	E365-G424 VanDerWaalsContact OE2-CA 3.29Å; E365-G424 WeakPolarHBondContact OE2-CA 3.44Å; G424-N440 WeakPolarHBondContact O-CB 3.48Å; G424-N440 PolarHBondContact O-ND2 3.07Å
425	R	97.1	Very high	95	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	18%	0.184	C	C	.	.			trans	-99.5	142.8	178.9	-76.5	72.3	172.2	-168	-4	110	Y361 L387 F405 A417 R419 W421 P422 L423 V439 N440	Y361-R425 PolarHBondContact OH-NH2 2.93Å; L387-R425 HydrophobicContact CB-CB 4.25Å; L387-R425 HydrophobicContact CD1-CB 4.33Å; L387-R425 HydrophobicContact CD2-CB 3.92Å; L387-R425 HydrophobicContact CG-CB 4.39Å; L387-R425 PolarHBondContact N-O 2.83Å; F405-R425 HydrophobicContact CE2-CB 4.19Å; F405-R425 HydrophobicContact CE2-CG 4.19Å; F405-R425 HydrophobicContact CZ-CB 4.12Å; F405-R425 HydrophobicContact CZ-CG 4.44Å; A417-R425 PolarHBondContact O-NH2 2.94Å; R419-R425 VanDerWaalsContact O-CZ 3.27Å; R419-R425 PolarHBondContact O-NH1 3.42Å; R419-R425 PolarHBondContact O-NH2 2.85Å; W421-R425 HydrophobicContact CE3-CG 4.22Å; W421-R425 HydrophobicContact CZ3-CG 3.98Å; P422-R425 PolarHBondContact O-N 3.43Å; L423-R425 WeakPolarHBondContact O-CD 3.48Å; L423-R425 PolarHBondContact O-N 3.47Å; L423-R425 PolarHBondContact O-NH1 3.49Å; R425-V439 WeakPolarHBondContact CA-O 3.37Å; R425-N440 HydrophobicContact CG-CB 3.99Å; R425-N440 WeakPolarHBondContact CG-O 3.37Å; R425-N440 PolarHBondContact NE-O 2.87Å; R425-N440 VanDerWaalsContact NE-O 3.15Å
426	G	97.3	Very high	95.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	170.8	175	0	0	0	0	0	113.3	Y384 Y385 F405 V439	Y384-G426 VanDerWaalsContact OH-CA 3.24Å; Y384-G426 WeakPolarHBondContact OH-CA 3.19Å; Y384-G426 PolarHBondContact OH-N 3.38Å; Y385-G426 CarbonylContact O-C 3.59Å; Y385-G426 WeakPolarHBondContact O-CA 3.36Å; F405-G426 WeakPolarHBondContact CE1-O 3.49Å; G426-V439 PolarHBondContact N-O 3.06Å; G426-V439 PolarHBondContact O-N 2.93Å
427	I	97.7	Very high	95.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.9	-179.7	-65.1	161.8	0	0	0	107.3	Y384 Y385 L387 L398 F403 L404 F405 L436	Y384-I427 CarbonylContact C-O 3.49Å; Y385-I427 WeakPolarHBondContact CD2-O 3.47Å; Y385-I427 PolarHBondContact N-O 3.07Å; Y385-I427 PolarHBondContact O-N 2.92Å; L387-I427 HydrophobicContact CD1-CD1 4.14Å; L387-I427 HydrophobicContact CD1-CG1 4.13Å; L398-I427 HydrophobicContact CD1-CD1 4.13Å; F403-I427 HydrophobicContact CB-CG2 4.38Å; F403-I427 WeakPolarHBondContact O-CD1 3.14Å; L404-I427 HydrophobicContact CB-CD1 4.4Å; L404-I427 HydrophobicContact CD1-CD1 3.59Å; F405-I427 HydrophobicContact CD1-CD1 3.98Å; F405-I427 HydrophobicContact CD1-CG1 3.74Å; F405-I427 HydrophobicContact CE1-CD1 4.03Å; F405-I427 HydrophobicContact CE1-CG1 3.38Å; F405-I427 HydrophobicContact CZ-CG1 4.36Å; I427-L436 HydrophobicContact CG2-CD1 3.61Å
428	F	98.3	Very high	96	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135.5	170.6	170.3	-90.8	0	0	0	109.3	L372 L375 L380 G382 T383 Y384 F435 L436 I437	L372-F428 HydrophobicContact CB-CD2 4.08Å; L372-F428 HydrophobicContact CB-CE2 4.04Å; L372-F428 HydrophobicContact CD1-CB 3.73Å; L372-F428 HydrophobicContact CD1-CD2 3.82Å; L372-F428 HydrophobicContact CD1-CG 3.83Å; L372-F428 HydrophobicContact CD2-CB 4.28Å; L372-F428 HydrophobicContact CD2-CD1 3.73Å; L372-F428 HydrophobicContact CD2-CD2 3.97Å; L372-F428 HydrophobicContact CD2-CE1 3.95Å; L372-F428 HydrophobicContact CD2-CE2 4.17Å; L372-F428 HydrophobicContact CD2-CG 3.73Å; L372-F428 HydrophobicContact CD2-CZ 4.15Å; L372-F428 HydrophobicContact CG-CD2 4.18Å; L372-F428 HydrophobicContact CG-CE2 4.5Å; L372-F428 HydrophobicContact CG-CG 4.28Å; L375-F428 HydrophobicContact CD1-CE1 3.92Å; L375-F428 HydrophobicContact CD1-CZ 3.72Å; L380-F428 VanDerWaalsContact O-CZ 3.32Å; L380-F428 WeakPolarHBondContact O-CZ 3.29Å; G382-F428 VanDerWaalsContact CA-CE2 3.48Å; G382-F428 VanDerWaalsContact CA-CZ 3.47Å; T383-F428 WeakPolarHBondContact O-CA 3.05Å; T383-F428 WeakPolarHBondContact O-CD2 3.49Å; Y384-F428 HydrophobicContact CD2-CB 4.1Å; F428-F435 HydrophobicContact CE1-CD1 4.01Å; F428-F435 HydrophobicContact CE1-CE1 4.24Å; F428-L436 CarbonylContact O-C 3.5Å; F428-L436 VanDerWaalsContact O-CA 3.24Å; F428-L436 WeakPolarHBondContact O-CA 3.34Å; F428-L436 WeakPolarHBondContact O-CD1 3.36Å; F428-I437 HydrophobicContact CB-CB 4.23Å; F428-I437 HydrophobicContact CD1-CB 4.34Å; F428-I437 HydrophobicContact CD1-CD1 4.13Å; F428-I437 HydrophobicContact CD1-CG1 4.28Å; F428-I437 PolarHBondContact N-O 3.3Å; F428-I437 PolarHBondContact O-N 2.82Å
429	H	97.9	Very high	96.4	Very high	17 Å²	17	32.5 Å²	32.5	8%	0.079	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	150.8	164.8	66.2	80	0	0	0	111.9	G382 T383 Y385 F403 F435 L436	G382-H429 CarbonylContact C-O 3.6Å; G382-H429 WeakPolarHBondContact CA-O 3.42Å; T383-H429 PolarHBondContact N-O 3.36Å; T383-H429 PolarHBondContact O-N 3.12Å; Y385-H429 AromaticContact CE2-CD2 3.6Å; Y385-H429 AromaticContact CE2-CE1 3.99Å; Y385-H429 AromaticContact CE2-NE2 3.28Å; Y385-H429 VanDerWaalsContact CE2-NE2 3.28Å; Y385-H429 WeakPolarHBondContact CE2-NE2 3.39Å; Y385-H429 AromaticContact CZ-NE2 3.82Å; F403-H429 AromaticContact CD2-CD2 3.92Å; F403-H429 HydrophobicContact CE2-CB 4.49Å; F403-H429 AromaticContact CE2-CD2 3.86Å; F403-H429 HydrophobicContact CZ-CB 4.44Å; H429-F435 CarbonylContact C-O 3.59Å; H429-F435 VanDerWaalsContact CA-O 3.25Å; H429-F435 WeakPolarHBondContact CA-O 3.43Å; H429-L436 HydrophobicContact CB-CB 4.4Å; H429-L436 HydrophobicContact CB-CD1 3.82Å
430	N	97.6	Very high	96.7	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	170.9	171.4	76.3	-27.7	0	0	0	111.7	D379 R381 D432 K433 T434 F435	D379-N430 PolarHBondContact O-ND2 2.72Å; R381-N430 VanDerWaalsContact O-CA 3.3Å; R381-N430 WeakPolarHBondContact O-CA 3.4Å; R381-N430 VanDerWaalsContact O-CB 3.3Å; R381-N430 WeakPolarHBondContact O-CB 3.32Å; N430-D432 VanDerWaalsContact C-N 3.31Å; N430-D432 PolarHBondContact O-N 2.84Å; N430-K433 PolarHBondContact O-N 3.39Å; N430-K433 WeakPolarHBondContact OD1-CA 3.28Å; N430-K433 PolarHBondContact OD1-N 3.23Å; N430-T434 PolarHBondContact ND2-OG1 3.07Å; N430-T434 PolarHBondContact OD1-N 3.23Å; N430-F435 HydrophobicContact CB-CB 4.29Å; N430-F435 PolarHBondContact N-O 2.88Å; N430-F435 PolarHBondContact OD1-N 2.86Å; N430-F435 PolarHBondContact OD1-O 3.35Å
431	K	95.8	Very high	96.8	Very high	173 Å²	173	26.8 Å²	26.8	75%	0.752	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-44.2	-179.5	-176	-175.1	175.4	-169.1	0	112.5	K433	K431-K433 VanDerWaalsContact C-N 3.27Å; K431-K433 PolarHBondContact O-N 3.44Å
432	D	96.2	Very high	96.8	Very high	99 Å²	99	25.3 Å²	25.3	53%	0.529	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	5.4	-174.2	-60.7	-31.8	0	0	0	113.6	N430 T434	N430-D432 VanDerWaalsContact C-N 3.31Å; N430-D432 PolarHBondContact O-N 2.84Å; D432-T434 HydrophobicContact CB-CG2 4.18Å; D432-T434 WeakPolarHBondContact O-CG2 3.32Å; D432-T434 PolarHBondContact O-N 3.27Å; D432-T434 VanDerWaalsContact O-N 3.09Å
433	K	96.1	Very high	96.9	Very high	67 Å²	67	23.2 Å²	23.2	29%	0.291	11%	0.109	S	C	.	.	S	Bend	trans	59	22.1	177.9	-66.8	-177.7	178.7	175.8	0	114	Y5 D401 F403 N430 K431	Y5-K433 PolarHBondContact OH-O 3.03Å; D401-K433 IonicContact OD1-NZ 3.46Å; D401-K433 PolarHBondContact OD1-NZ 3.31Å; D401-K433 WeakPolarHBondContact OD2-CE 3.44Å; D401-K433 IonicContact OD2-NZ 3.42Å; D401-K433 PolarHBondContact OD2-NZ 3.24Å; F403-K433 HydrophobicContact CE2-CB 4.25Å; F403-K433 HydrophobicContact CE2-CD 3.76Å; F403-K433 HydrophobicContact CE2-CG 3.76Å; F403-K433 HydrophobicContact CZ-CB 3.71Å; F403-K433 HydrophobicContact CZ-CD 4Å; F403-K433 HydrophobicContact CZ-CG 3.75Å; N430-K433 PolarHBondContact O-N 3.39Å; N430-K433 WeakPolarHBondContact OD1-CA 3.28Å; N430-K433 PolarHBondContact OD1-N 3.23Å; K431-K433 VanDerWaalsContact C-N 3.27Å; K431-K433 PolarHBondContact O-N 3.44Å
434	T	97.6	Very high	97	Very high	29 Å²	29	22.8 Å²	22.8	18%	0.178	11%	0.107	C	C	.	.	S	Bend	trans	-92.1	-34.3	179.6	58.1	0	0	0	0	111.1	N430 D432 S449 M450 Q451 R462	N430-T434 PolarHBondContact ND2-OG1 3.07Å; N430-T434 PolarHBondContact OD1-N 3.23Å; D432-T434 HydrophobicContact CB-CG2 4.18Å; D432-T434 WeakPolarHBondContact O-CG2 3.32Å; D432-T434 PolarHBondContact O-N 3.27Å; D432-T434 VanDerWaalsContact O-N 3.09Å; T434-S449 CarbonylContact O-C 3.56Å; T434-S449 WeakPolarHBondContact O-CA 3.5Å; T434-M450 VanDerWaalsContact CA-O 3.23Å; T434-M450 WeakPolarHBondContact CA-O 3.3Å; T434-M450 WeakPolarHBondContact CB-O 3.38Å; T434-M450 WeakPolarHBondContact O-CG 3.46Å; T434-M450 PolarHBondContact O-N 3.15Å; T434-Q451 HydrophobicContact CG2-CB 4.47Å; T434-R462 VanDerWaalsContact CB-CZ 3.47Å; T434-R462 VanDerWaalsContact CB-NH1 3.29Å; T434-R462 PolarHBondContact O-NH1 3.17Å; T434-R462 PolarHBondContact OG1-NH1 3.07Å
435	F	98.4	Very high	97.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.9	179.8	-171.1	-110.6	0	0	0	110	L375 L380 F428 H429 N430 I437 I447 I448 R462	L375-F435 HydrophobicContact CD1-CE1 4.14Å; L380-F435 HydrophobicContact CD2-CB 4.31Å; L380-F435 HydrophobicContact CD2-CD1 3.77Å; L380-F435 HydrophobicContact CD2-CD2 3.95Å; L380-F435 HydrophobicContact CD2-CE1 4Å; L380-F435 HydrophobicContact CD2-CE2 4.16Å; L380-F435 HydrophobicContact CD2-CG 3.75Å; L380-F435 HydrophobicContact CD2-CZ 4.19Å; F428-F435 HydrophobicContact CE1-CD1 4.01Å; F428-F435 HydrophobicContact CE1-CE1 4.24Å; H429-F435 CarbonylContact C-O 3.59Å; H429-F435 VanDerWaalsContact CA-O 3.25Å; H429-F435 WeakPolarHBondContact CA-O 3.43Å; N430-F435 HydrophobicContact CB-CB 4.29Å; N430-F435 PolarHBondContact N-O 2.88Å; N430-F435 PolarHBondContact OD1-N 2.86Å; N430-F435 PolarHBondContact OD1-O 3.35Å; F435-I437 HydrophobicContact CE1-CD1 3.65Å; F435-I437 HydrophobicContact CE1-CG1 4.22Å; F435-I437 HydrophobicContact CZ-CD1 3.85Å; F435-I437 HydrophobicContact CZ-CG1 4.33Å; F435-I447 HydrophobicContact CE2-CG2 3.68Å; F435-I447 HydrophobicContact CZ-CG2 3.78Å; F435-I448 WeakPolarHBondContact CA-O 3.35Å; F435-R462 HydrophobicContact CD2-CG 4.41Å
436	L	98	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.6	-170.5	170.7	83.5	0	0	0	109.7	Y5 F403 I427 F428 H429 I448	Y5-L436 HydrophobicContact CD1-CD2 4.34Å; F403-L436 HydrophobicContact CB-CD1 4.28Å; F403-L436 HydrophobicContact CD1-CD1 3.58Å; F403-L436 HydrophobicContact CD1-CD2 3.56Å; F403-L436 HydrophobicContact CD1-CG 4.2Å; F403-L436 HydrophobicContact CE1-CB 4.43Å; F403-L436 HydrophobicContact CE1-CD1 3.77Å; F403-L436 HydrophobicContact CE1-CD2 3.75Å; F403-L436 HydrophobicContact CE1-CG 4.21Å; F403-L436 HydrophobicContact CG-CD1 3.97Å; F403-L436 HydrophobicContact CZ-CD1 4.44Å; I427-L436 HydrophobicContact CG2-CD1 3.61Å; F428-L436 CarbonylContact O-C 3.5Å; F428-L436 VanDerWaalsContact O-CA 3.24Å; F428-L436 WeakPolarHBondContact O-CA 3.34Å; F428-L436 WeakPolarHBondContact O-CD1 3.36Å; H429-L436 HydrophobicContact CB-CB 4.4Å; H429-L436 HydrophobicContact CB-CD1 3.82Å; L436-I448 HydrophobicContact CB-CB 4.22Å; L436-I448 HydrophobicContact CD2-CB 4.39Å; L436-I448 HydrophobicContact CD2-CD1 3.64Å; L436-I448 HydrophobicContact CG-CD1 4.28Å; L436-I448 PolarHBondContact N-O 3.2Å; L436-I448 WeakPolarHBondContact O-CA 3.35Å; L436-I448 WeakPolarHBondContact O-CB 3.46Å; L436-I448 PolarHBondContact O-N 3.3Å
437	I	98.4	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	127.3	176.5	-59.6	170.1	0	0	0	109.1	L372 F428 F435 V439 L445 R446 I447 L470	L372-I437 HydrophobicContact CD2-CD1 3.47Å; L372-I437 VanDerWaalsContact CD2-CD1 3.47Å; F428-I437 HydrophobicContact CB-CB 4.23Å; F428-I437 HydrophobicContact CD1-CB 4.34Å; F428-I437 HydrophobicContact CD1-CD1 4.13Å; F428-I437 HydrophobicContact CD1-CG1 4.28Å; F428-I437 PolarHBondContact N-O 3.3Å; F428-I437 PolarHBondContact O-N 2.82Å; F435-I437 HydrophobicContact CE1-CD1 3.65Å; F435-I437 HydrophobicContact CE1-CG1 4.22Å; F435-I437 HydrophobicContact CZ-CD1 3.85Å; F435-I437 HydrophobicContact CZ-CG1 4.33Å; I437-V439 HydrophobicContact CG2-CG2 4.21Å; I437-L445 HydrophobicContact CG2-CD2 3.88Å; I437-R446 CarbonylContact C-O 3.56Å; I437-R446 VanDerWaalsContact CA-O 3.29Å; I437-R446 WeakPolarHBondContact CA-O 3.42Å; I437-I447 HydrophobicContact CD1-CG1 4.31Å; I437-I447 HydrophobicContact CD1-CG2 4.34Å; I437-I447 HydrophobicContact CG1-CB 4.29Å; I437-I447 HydrophobicContact CG1-CG1 4.08Å; I437-I447 HydrophobicContact CG1-CG2 4.04Å; I437-I447 HydrophobicContact CG2-CG1 4.28Å; I437-L470 HydrophobicContact CD1-CD1 3.76Å
438	W	98	Very high	97.2	Very high	23 Å²	23	24 Å²	24	9%	0.087	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	137.1	166.4	-61.4	-15.3	0	0	0	109.7	F403 F405 E441 L445 R446 I448	F403-W438 PolarHBondContact O-NE1 2.91Å; F405-W438 HydrophobicContact CB-CD2 4.25Å; F405-W438 HydrophobicContact CB-CE3 4.09Å; F405-W438 HydrophobicContact CB-CH2 4.12Å; F405-W438 HydrophobicContact CB-CZ2 4.25Å; F405-W438 HydrophobicContact CB-CZ3 4.03Å; F405-W438 HydrophobicContact CD1-CB 3.86Å; F405-W438 AromaticContact CD1-CD1 3.68Å; F405-W438 AromaticContact CD1-CD2 3.56Å; F405-W438 HydrophobicContact CD1-CD2 3.56Å; F405-W438 AromaticContact CD1-CE2 3.87Å; F405-W438 HydrophobicContact CD1-CE3 4.08Å; F405-W438 AromaticContact CD1-CG 3.46Å; F405-W438 HydrophobicContact CD1-CG 3.46Å; F405-W438 VanDerWaalsContact CD1-CG 3.46Å; F405-W438 AromaticContact CD1-NE1 3.88Å; F405-W438 HydrophobicContact CE1-CB 3.65Å; F405-W438 AromaticContact CE1-CD1 3.95Å; F405-W438 HydrophobicContact CE1-CD2 4.29Å; F405-W438 AromaticContact CE1-CG 3.72Å; F405-W438 HydrophobicContact CE1-CG 3.72Å; F405-W438 HydrophobicContact CG-CD2 4.23Å; F405-W438 HydrophobicContact CG-CE3 4.32Å; F405-W438 HydrophobicContact CG-CG 4.49Å; W438-E441 HydrophobicContact CB-CB 4.33Å; W438-E441 HydrophobicContact CE3-CB 4.41Å; W438-E441 HydrophobicContact CE3-CG 3.96Å; W438-E441 HydrophobicContact CZ3-CG 4.43Å; W438-L445 CarbonylContact O-C 3.59Å; W438-L445 WeakPolarHBondContact O-CA 3.41Å; W438-R446 HydrophobicContact CB-CB 4.15Å; W438-R446 PolarHBondContact N-O 2.89Å; W438-R446 PolarHBondContact O-N 2.88Å; W438-I448 HydrophobicContact CD2-CD1 4.49Å
439	V	98.2	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.9	-177.9	-176	0	0	0	0	109.5	V368 Y384 R425 G426 I437 E441 H444 L445	V368-V439 HydrophobicContact CB-CG1 4.48Å; V368-V439 HydrophobicContact CG1-CG1 4.33Å; V368-V439 HydrophobicContact CG1-CG2 3.69Å; Y384-V439 HydrophobicContact CE2-CB 4.28Å; Y384-V439 HydrophobicContact CE2-CG2 3.74Å; R425-V439 WeakPolarHBondContact CA-O 3.37Å; G426-V439 PolarHBondContact N-O 3.06Å; G426-V439 PolarHBondContact O-N 2.93Å; I437-V439 HydrophobicContact CG2-CG2 4.21Å; V439-E441 VanDerWaalsContact C-N 3.34Å; V439-E441 PolarHBondContact O-N 2.91Å; V439-H444 WeakPolarHBondContact CA-O 3.29Å; V439-L445 HydrophobicContact CG2-CD2 3.95Å
440	N	96.7	Very high	97.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	58.3	36.4	176.1	-68.6	-29.3	0	0	0	115	Y361 G424 R425 D443 H444	Y361-N440 HydrophobicContact CD1-CB 3.89Å; Y361-N440 HydrophobicContact CE1-CB 3.91Å; Y361-N440 PolarHBondContact O-ND2 2.98Å; G424-N440 WeakPolarHBondContact O-CB 3.48Å; G424-N440 PolarHBondContact O-ND2 3.07Å; R425-N440 HydrophobicContact CG-CB 3.99Å; R425-N440 WeakPolarHBondContact CG-O 3.37Å; R425-N440 PolarHBondContact NE-O 2.87Å; R425-N440 VanDerWaalsContact NE-O 3.15Å; N440-D443 WeakPolarHBondContact CA-O 3.15Å; N440-H444 PolarHBondContact N-O 2.9Å
441	E	93.7	Very high	97.2	Very high	33 Å²	33	25.5 Å²	25.5	15%	0.154	12%	0.119	C	C	.	.	S	Bend	trans	-82.3	-84.8	175.8	-173.4	-90	150.7	0	0	110.7	N353 F405 W438 V439 D443 R446	N353-E441 PolarHBondContact ND2-O 3.2Å; N353-E441 VanDerWaalsContact ND2-O 3.15Å; F405-E441 HydrophobicContact CB-CG 3.87Å; F405-E441 HydrophobicContact CD1-CB 4.42Å; F405-E441 HydrophobicContact CD1-CG 4.23Å; F405-E441 HydrophobicContact CD2-CB 3.83Å; F405-E441 HydrophobicContact CD2-CG 3.37Å; F405-E441 HydrophobicContact CE1-CB 4.36Å; F405-E441 HydrophobicContact CE2-CB 3.8Å; F405-E441 HydrophobicContact CE2-CG 3.9Å; F405-E441 HydrophobicContact CG-CB 4.16Å; F405-E441 HydrophobicContact CG-CG 3.58Å; F405-E441 HydrophobicContact CZ-CB 4.07Å; F405-E441 HydrophobicContact CZ-CG 4.49Å; W438-E441 HydrophobicContact CB-CB 4.33Å; W438-E441 HydrophobicContact CE3-CB 4.41Å; W438-E441 HydrophobicContact CE3-CG 3.96Å; W438-E441 HydrophobicContact CZ3-CG 4.43Å; V439-E441 VanDerWaalsContact C-N 3.34Å; V439-E441 PolarHBondContact O-N 2.91Å; E441-D443 PolarHBondContact N-O 2.79Å; E441-R446 IonicContact OE2-CZ 3.06Å; E441-R446 IonicContact OE2-NE 2.68Å; E441-R446 PolarHBondContact OE2-NE 3.28Å; E441-R446 IonicContact OE2-NH2 3.8Å; E441-R446 PolarHBondContact OE2-NH2 2.76Å
442	E	93.8	Very high	97.2	Very high	29 Å²	29	21.2 Å²	21.2	14%	0.136	11%	0.107	C	C	.	.	S	Bend	trans	-95.4	-53.6	169.6	179.4	178.8	-178.3	0	0	111.1	N353 L412 R446 F487 C488 N491	N353-E442 PolarHBondContact ND2-O 2.83Å; N353-E442 VanDerWaalsContact ND2-O 3.17Å; L412-E442 HydrophobicContact CD1-CB 4.36Å; L412-E442 HydrophobicContact CD2-CB 4.28Å; L412-E442 HydrophobicContact CD2-CG 3.9Å; E442-R446 IonicContact OE2-CZ 2.62Å; E442-R446 IonicContact OE2-NH2 3.48Å; E442-R446 PolarHBondContact OE2-NH2 2.85Å; E442-F487 HydrophobicContact CG-CD1 3.84Å; E442-F487 HydrophobicContact CG-CE1 4.5Å; E442-C488 VanDerWaalsContact OE1-CB 3.29Å; E442-C488 WeakPolarHBondContact OE1-CB 3.37Å; E442-N491 PolarHBondContact OE1-ND2 3.37Å
443	D	96.3	Very high	97.3	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.021	9%	0.092	C	C	.	.	S	Bend	trans	-104.7	177.7	171.3	-64.7	-72.8	0	0	0	110.3	A344 T346 N440 E441 L445 S486 F487	A344-D443 HydrophobicContact CB-CB 4.3Å; A344-D443 WeakPolarHBondContact CB-OD2 3.14Å; T346-D443 HydrophobicContact CG2-CB 3.99Å; N440-D443 WeakPolarHBondContact CA-O 3.15Å; E441-D443 PolarHBondContact N-O 2.79Å; D443-L445 VanDerWaalsContact C-N 3.33Å; D443-L445 PolarHBondContact O-N 2.92Å; D443-S486 VanDerWaalsContact CG-OG 3.23Å; D443-S486 VanDerWaalsContact OD1-CA 3.27Å; D443-S486 WeakPolarHBondContact OD1-CA 3.46Å; D443-S486 WeakPolarHBondContact OD1-CB 3.46Å; D443-S486 PolarHBondContact OD1-OG 3.06Å; D443-S486 PolarHBondContact OD2-OG 3.33Å; D443-F487 PolarHBondContact OD1-N 3.35Å
444	H	98.2	Very high	97.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-63.3	-41.4	178.3	-59	166.2	0	0	0	111.8	L347 P351 I364 V439 N440	L347-H444 HydrophobicContact CG-CB 4.38Å; L347-H444 PolarHBondContact N-ND1 3.47Å; P351-H444 PolarHBondContact O-CE1 3.34Å; P351-H444 PolarHBondContact O-NE2 3.28Å; P351-H444 VanDerWaalsContact O-NE2 3.09Å; I364-H444 HydrophobicContact CG2-CB 4.31Å; V439-H444 WeakPolarHBondContact CA-O 3.29Å; N440-H444 PolarHBondContact N-O 2.9Å
445	L	98.4	Very high	97.3	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	135	176.4	-60.7	179.1	0	0	0	111.1	A344 R345 V368 I437 W438 V439 D443 I447 L474 F476	A344-L445 CarbonylContact C-O 3.6Å; A344-L445 WeakPolarHBondContact CA-O 3.33Å; R345-L445 HydrophobicContact CB-CB 4.18Å; R345-L445 HydrophobicContact CB-CD1 4.46Å; R345-L445 PolarHBondContact N-O 3.39Å; R345-L445 PolarHBondContact O-N 2.78Å; V368-L445 HydrophobicContact CB-CD2 4.35Å; V368-L445 HydrophobicContact CG1-CD2 3.66Å; V368-L445 HydrophobicContact CG2-CD2 3.69Å; V368-L445 HydrophobicContact CG2-CG 4.41Å; I437-L445 HydrophobicContact CG2-CD2 3.88Å; W438-L445 CarbonylContact O-C 3.59Å; W438-L445 WeakPolarHBondContact O-CA 3.41Å; V439-L445 HydrophobicContact CG2-CD2 3.95Å; D443-L445 VanDerWaalsContact C-N 3.33Å; D443-L445 PolarHBondContact O-N 2.92Å; L445-I447 HydrophobicContact CB-CG1 4.25Å; L445-I447 HydrophobicContact CD1-CD1 4.39Å; L445-L474 HydrophobicContact CD1-CD1 3.97Å; L445-F476 HydrophobicContact CD1-CE1 3.69Å; L445-F476 HydrophobicContact CD1-CZ 4.16Å
446	R	97.9	Very high	97.3	Very high	27 Å²	27	15.3 Å²	15.3	10%	0.102	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	106.7	160.4	-171.8	-175.9	-59.6	-79.6	7.6	108.5	C343 I437 W438 E441 E442 I448	C343-R446 WeakPolarHBondContact O-CA 3.29Å; I437-R446 CarbonylContact C-O 3.56Å; I437-R446 VanDerWaalsContact CA-O 3.29Å; I437-R446 WeakPolarHBondContact CA-O 3.42Å; W438-R446 HydrophobicContact CB-CB 4.15Å; W438-R446 PolarHBondContact N-O 2.89Å; W438-R446 PolarHBondContact O-N 2.88Å; E441-R446 IonicContact OE2-CZ 3.06Å; E441-R446 IonicContact OE2-NE 2.68Å; E441-R446 PolarHBondContact OE2-NE 3.28Å; E441-R446 IonicContact OE2-NH2 3.8Å; E441-R446 PolarHBondContact OE2-NH2 2.76Å; E442-R446 IonicContact OE2-CZ 2.62Å; E442-R446 IonicContact OE2-NH2 3.48Å; E442-R446 PolarHBondContact OE2-NH2 2.85Å; R446-I448 HydrophobicContact CG-CD1 4.19Å; R446-I448 HydrophobicContact CG-CG1 4.17Å
447	I	98.4	Very high	97.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.1	-175.8	-55.1	162.3	0	0	0	108	R342 C343 R345 F435 I437 L445 L463 L467 L470	R342-I447 CarbonylContact C-O 3.58Å; R342-I447 WeakPolarHBondContact CA-O 3.48Å; R342-I447 WeakPolarHBondContact CB-O 3.33Å; C343-I447 PolarHBondContact N-O 3.41Å; C343-I447 PolarHBondContact O-N 3.06Å; R345-I447 HydrophobicContact CG-CD1 4.11Å; F435-I447 HydrophobicContact CE2-CG2 3.68Å; F435-I447 HydrophobicContact CZ-CG2 3.78Å; I437-I447 HydrophobicContact CD1-CG1 4.31Å; I437-I447 HydrophobicContact CD1-CG2 4.34Å; I437-I447 HydrophobicContact CG1-CB 4.29Å; I437-I447 HydrophobicContact CG1-CG1 4.08Å; I437-I447 HydrophobicContact CG1-CG2 4.04Å; I437-I447 HydrophobicContact CG2-CG1 4.28Å; L445-I447 HydrophobicContact CB-CG1 4.25Å; L445-I447 HydrophobicContact CD1-CD1 4.39Å; I447-L463 HydrophobicContact CB-CD1 4.29Å; I447-L463 HydrophobicContact CG2-CD1 3.55Å; I447-L467 HydrophobicContact CD1-CD2 3.44Å; I447-L467 VanDerWaalsContact CD1-CD2 3.44Å; I447-L467 HydrophobicContact CD1-CG 4.3Å; I447-L470 HydrophobicContact CD1-CD1 3.86Å; I447-L470 HydrophobicContact CG1-CD1 4.39Å
448	I	98.3	Very high	97.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	123	-169.6	-59	159.5	0	0	0	108.2	R340 R342 F435 L436 W438 R446 M450	R340-I448 HydrophobicContact CG-CG2 4Å; R342-I448 HydrophobicContact CB-CB 4.35Å; R342-I448 HydrophobicContact CB-CG1 3.75Å; R342-I448 HydrophobicContact CB-CG2 4.49Å; F435-I448 WeakPolarHBondContact CA-O 3.35Å; L436-I448 HydrophobicContact CB-CB 4.22Å; L436-I448 HydrophobicContact CD2-CB 4.39Å; L436-I448 HydrophobicContact CD2-CD1 3.64Å; L436-I448 HydrophobicContact CG-CD1 4.28Å; L436-I448 PolarHBondContact N-O 3.2Å; L436-I448 WeakPolarHBondContact O-CA 3.35Å; L436-I448 WeakPolarHBondContact O-CB 3.46Å; L436-I448 PolarHBondContact O-N 3.3Å; W438-I448 HydrophobicContact CD2-CD1 4.49Å; R446-I448 HydrophobicContact CG-CD1 4.19Å; R446-I448 HydrophobicContact CG-CG1 4.17Å; I448-M450 HydrophobicContact CG2-CG 4.34Å; I448-M450 HydrophobicContact CG2-SD 3.81Å
449	S	98.5	Very high	97.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134	168.9	-176.7	0	0	0	0	108.6	R340 I341 T434 V459 R462	R340-S449 CarbonylContact C-O 3.59Å; R340-S449 WeakPolarHBondContact CA-O 3.46Å; I341-S449 PolarHBondContact N-O 2.83Å; I341-S449 PolarHBondContact O-N 2.82Å; I341-S449 VanDerWaalsContact O-O 3.06Å; T434-S449 CarbonylContact O-C 3.56Å; T434-S449 WeakPolarHBondContact O-CA 3.5Å; S449-V459 VanDerWaalsContact CB-O 3.29Å; S449-V459 WeakPolarHBondContact CB-O 3.38Å; S449-V459 WeakPolarHBondContact O-CG1 3.45Å; S449-V459 PolarHBondContact OG-O 3.05Å; S449-R462 PolarHBondContact OG-NH1 3.27Å; S449-R462 PolarHBondContact OG-NH2 3.13Å
450	M	97.7	Very high	97.3	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	156.8	-177.6	53.1	-166.7	-78.7	0	0	112.7	M4 Y5 T339 R340 T434 I448 R462	M4-M450 HydrophobicContact CB-CE 3.66Å; M4-M450 HydrophobicContact CE-CE 3.17Å; M4-M450 HydrophobicContact CG-CE 4.34Å; M4-M450 HydrophobicContact SD-CE 4.13Å; Y5-M450 HydrophobicContact CD1-CE 3.66Å; Y5-M450 HydrophobicContact CD1-SD 3.75Å; Y5-M450 HydrophobicContact CE1-CE 3.04Å; Y5-M450 HydrophobicContact CE1-SD 3.24Å; Y5-M450 WeakPolarHBondContact CE1-SD 3.47Å; Y5-M450 HydrophobicContact CE2-CE 4.21Å; Y5-M450 HydrophobicContact CG-CE 4.42Å; Y5-M450 VanDerWaalsContact CZ-CE 3.43Å; T339-M450 CarbonylContact O-C 3.51Å; T339-M450 WeakPolarHBondContact O-CA 3.4Å; T339-M450 WeakPolarHBondContact O-CB 3.27Å; R340-M450 HydrophobicContact CB-CB 3.95Å; R340-M450 HydrophobicContact CG-CB 4.06Å; R340-M450 HydrophobicContact CG-SD 4.44Å; T434-M450 VanDerWaalsContact CA-O 3.23Å; T434-M450 WeakPolarHBondContact CA-O 3.3Å; T434-M450 WeakPolarHBondContact CB-O 3.38Å; T434-M450 WeakPolarHBondContact O-CG 3.46Å; T434-M450 PolarHBondContact O-N 3.15Å; I448-M450 HydrophobicContact CG2-CG 4.34Å; I448-M450 HydrophobicContact CG2-SD 3.81Å; M450-R462 PolarHBondContact O-NH2 2.79Å
451	Q	97	Very high	97.4	Very high	48 Å²	48	23.4 Å²	23.4	22%	0.224	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	172.6	170.3	69	-165.6	66.8	0	0	110.6	S338 T339 T434 V459	S338-Q451 WeakPolarHBondContact CA-O 3.09Å; S338-Q451 WeakPolarHBondContact CB-O 3.01Å; T339-Q451 PolarHBondContact N-O 2.78Å; T339-Q451 PolarHBondContact O-N 3.32Å; T434-Q451 HydrophobicContact CG2-CB 4.47Å; Q451-V459 HydrophobicContact CB-CG2 4.41Å; Q451-V459 HydrophobicContact CG-CG2 3.53Å
452	T	96.5	Very high	97.6	Very high	83 Å²	83	22.2 Å²	22.2	51%	0.509	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	150.1	173.4	58.1	0	0	0	0	111.5	M1 Q337	M1-T452 HydrophobicContact CE-CG2 3.15Å; M1-T452 HydrophobicContact SD-CG2 4.16Å; Q337-T452 WeakPolarHBondContact O-CA 3.21Å
453	G	97	Very high	97.8	Very high	21 Å²	21	20.8 Å²	20.8	22%	0.216	11%	0.111	C	C	.	.	S	Bend	trans	76.6	-172.2	-178.1	0	0	0	0	0	114	I336 Q337 S338 T339	I336-G453 WeakPolarHBondContact CG2-O 3.45Å; Q337-G453 PolarHBondContact O-N 2.85Å; S338-G453 CarbonylContact C-O 3.54Å; T339-G453 PolarHBondContact N-O 3.15Å; T339-G453 PolarHBondContact OG1-O 3.15Å
454	G	97.2	Very high	97.9	Very high	2 Å²	2	21.3 Å²	21.3	2%	0.021	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-101.4	22.6	-171.5	0	0	0	0	0	116.3	L329 T339 V456	L329-G454 PolarHBondContact N-O 3.38Å; L329-G454 VanDerWaalsContact O-CA 3.28Å; L329-G454 WeakPolarHBondContact O-CA 3.23Å; T339-G454 WeakPolarHBondContact OG1-CA 3.35Å; G454-V456 VanDerWaalsContact C-N 3.27Å; G454-V456 PolarHBondContact O-N 3.17Å
455	N	97.8	Very high	97.9	Very high	48 Å²	48	23.9 Å²	23.9	26%	0.257	12%	0.124	S	C	.	.			trans	-78.6	76.2	178.1	-169.2	-17.1	0	0	0	111.4	T328 R457 A458 V459	T328-N455 HydrophobicContact CG2-CB 4.3Å; N455-R457 VanDerWaalsContact C-N 3.27Å; N455-R457 PolarHBondContact O-N 3.25Å; N455-A458 HydrophobicContact CB-CB 4.37Å; N455-A458 PolarHBondContact O-N 3.4Å; N455-A458 WeakPolarHBondContact OD1-CB 3.36Å; N455-A458 PolarHBondContact OD1-N 2.93Å; N455-V459 WeakPolarHBondContact O-CG2 3.33Å; N455-V459 PolarHBondContact O-N 3.24Å
456	V	98.1	Very high	97.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.5	-37.5	179.3	-180	0	0	0	0	111.7	L326 L329 T339 I341 G454 V459 L460 V555 M558 Y559	L326-V456 HydrophobicContact CD1-CG1 4.31Å; L329-V456 HydrophobicContact CD1-CG2 3.88Å; L329-V456 HydrophobicContact CG-CG2 4.38Å; T339-V456 HydrophobicContact CG2-CB 4.49Å; T339-V456 HydrophobicContact CG2-CG2 3.94Å; I341-V456 HydrophobicContact CD1-CG1 4.22Å; G454-V456 VanDerWaalsContact C-N 3.27Å; G454-V456 PolarHBondContact O-N 3.17Å; V456-V459 PolarHBondContact O-N 3.36Å; V456-L460 WeakPolarHBondContact O-CB 3.29Å; V456-L460 PolarHBondContact O-N 2.68Å; V456-V555 HydrophobicContact CG1-CG1 3.69Å; V456-M558 HydrophobicContact CG1-CE 4.24Å; V456-M558 HydrophobicContact CG2-CE 4.23Å; V456-Y559 HydrophobicContact CB-CD2 4.12Å; V456-Y559 HydrophobicContact CG1-CD2 4.4Å; V456-Y559 HydrophobicContact CG2-CD2 4.05Å
457	R	97.9	Very high	97.8	Very high	114 Å²	114	23 Å²	23	43%	0.43	12%	0.121	S	C	.	.	H	α-helix	trans	-58.6	-50.9	177.8	173	175.8	-173.7	155	6.4	112.9	L323 D324 L326 N455 V459 L460 D461	L323-R457 HydrophobicContact CB-CG 4.26Å; L323-R457 VanDerWaalsContact O-CD 3.3Å; L323-R457 WeakPolarHBondContact O-CD 3.36Å; D324-R457 VanDerWaalsContact CA-NH1 3.31Å; L326-R457 HydrophobicContact CB-CB 4.1Å; L326-R457 WeakPolarHBondContact O-CB 3.08Å; N455-R457 VanDerWaalsContact C-N 3.27Å; N455-R457 PolarHBondContact O-N 3.25Å; R457-V459 VanDerWaalsContact C-N 3.27Å; R457-V459 PolarHBondContact O-N 2.66Å; R457-L460 PolarHBondContact O-N 2.91Å; R457-D461 VanDerWaalsContact O-CB 3.28Å; R457-D461 WeakPolarHBondContact O-CB 3.38Å; R457-D461 PolarHBondContact O-N 3.35Å
458	A	97.5	Very high	97.8	Very high	31 Å²	31	28.5 Å²	28.5	26%	0.256	15%	0.15	S	C	.	.	H	α-helix	trans	-63.9	-35.7	-179.3	0	0	0	0	0	112	N455 R462	N455-A458 HydrophobicContact CB-CB 4.37Å; N455-A458 PolarHBondContact O-N 3.4Å; N455-A458 WeakPolarHBondContact OD1-CB 3.36Å; N455-A458 PolarHBondContact OD1-N 2.93Å; A458-R462 WeakPolarHBondContact O-CB 3.31Å; A458-R462 PolarHBondContact O-N 3.35Å
459	V	98.3	Very high	97.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.9	-44.8	175.8	178.9	0	0	0	0	111.2	T339 I341 S449 Q451 N455 V456 R457 L463	T339-V459 HydrophobicContact CG2-CB 4.27Å; T339-V459 HydrophobicContact CG2-CG1 4.41Å; T339-V459 HydrophobicContact CG2-CG2 4Å; I341-V459 HydrophobicContact CB-CG1 3.96Å; I341-V459 HydrophobicContact CD1-CB 4.27Å; I341-V459 HydrophobicContact CD1-CG1 3.89Å; I341-V459 HydrophobicContact CG1-CB 4.49Å; I341-V459 HydrophobicContact CG1-CG1 3.67Å; S449-V459 VanDerWaalsContact CB-O 3.29Å; S449-V459 WeakPolarHBondContact CB-O 3.38Å; S449-V459 WeakPolarHBondContact O-CG1 3.45Å; S449-V459 PolarHBondContact OG-O 3.05Å; Q451-V459 HydrophobicContact CB-CG2 4.41Å; Q451-V459 HydrophobicContact CG-CG2 3.53Å; N455-V459 WeakPolarHBondContact O-CG2 3.33Å; N455-V459 PolarHBondContact O-N 3.24Å; V456-V459 PolarHBondContact O-N 3.36Å; R457-V459 VanDerWaalsContact C-N 3.27Å; R457-V459 PolarHBondContact O-N 2.66Å; V459-L463 PolarHBondContact O-N 3.12Å
460	L	98.5	Very high	97.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-69	-46	179.4	-176.8	58	0	0	0	111.9	L318 L323 L326 I341 V456 R457 R462 L463 I464 F552 V555	L318-L460 HydrophobicContact CD2-CD1 4.04Å; L323-L460 HydrophobicContact CD2-CB 4.26Å; L323-L460 HydrophobicContact CD2-CD2 3.7Å; L323-L460 HydrophobicContact CD2-CG 3.94Å; L326-L460 HydrophobicContact CD1-CD2 3.61Å; I341-L460 HydrophobicContact CD1-CB 3.8Å; I341-L460 HydrophobicContact CD1-CD1 4.23Å; V456-L460 WeakPolarHBondContact O-CB 3.29Å; V456-L460 PolarHBondContact O-N 2.68Å; R457-L460 PolarHBondContact O-N 2.91Å; L460-R462 VanDerWaalsContact C-N 3.32Å; L460-R462 PolarHBondContact O-N 3.3Å; L460-L463 WeakPolarHBondContact O-CA 3.01Å; L460-L463 WeakPolarHBondContact O-CB 3.42Å; L460-L463 PolarHBondContact O-N 3.34Å; L460-I464 HydrophobicContact CD1-CD1 4.29Å; L460-I464 HydrophobicContact CD1-CG1 4.27Å; L460-I464 HydrophobicContact CD2-CD1 4.5Å; L460-I464 HydrophobicContact CG-CD1 3.88Å; L460-I464 HydrophobicContact CG-CG1 4.35Å; L460-I464 WeakPolarHBondContact O-CG1 3.42Å; L460-I464 PolarHBondContact O-N 3.48Å; L460-F552 HydrophobicContact CD2-CD2 4.16Å; L460-V555 HydrophobicContact CD1-CG2 4.04Å; L460-V555 HydrophobicContact CD2-CB 4.37Å; L460-V555 HydrophobicContact CD2-CG1 4.14Å; L460-V555 HydrophobicContact CD2-CG2 4.32Å
461	D	98	Very high	97.7	Very high	48 Å²	48	33.8 Å²	33.8	26%	0.257	18%	0.183	S	C	.	.	H	α-helix	trans	-51.1	-51.3	176.5	172.6	82.9	0	0	0	111.8	L323 R457 L463 I464 R465	L323-D461 HydrophobicContact CD1-CB 4.04Å; R457-D461 VanDerWaalsContact O-CB 3.28Å; R457-D461 WeakPolarHBondContact O-CB 3.38Å; R457-D461 PolarHBondContact O-N 3.35Å; D461-L463 VanDerWaalsContact C-N 3.31Å; D461-L463 PolarHBondContact O-N 3.32Å; D461-I464 WeakPolarHBondContact O-CB 3.36Å; D461-I464 PolarHBondContact O-N 3.11Å; D461-I464 VanDerWaalsContact O-N 3.12Å; D461-R465 PolarHBondContact O-N 2.99Å; D461-R465 IonicContact OD2-CZ 2.72Å; D461-R465 IonicContact OD2-NE 2.77Å; D461-R465 PolarHBondContact OD2-NE 2.99Å; D461-R465 IonicContact OD2-NH2 3.36Å; D461-R465 PolarHBondContact OD2-NH2 3.15Å; D461-R465 VanDerWaalsContact OD2-NH2 3.12Å
462	R	98.3	Very high	97.7	Very high	8 Å²	8	35.6 Å²	35.6	3%	0.03	20%	0.198	C	C	.	.	H	α-helix	trans	-64.5	-35.6	179	-174.8	162.1	42.5	85.4	-2.1	112.8	D379 L380 T434 F435 S449 M450 A458 L460 G466	D379-R462 VanDerWaalsContact OD2-CD 3.27Å; D379-R462 WeakPolarHBondContact OD2-CD 3.29Å; L380-R462 HydrophobicContact CD2-CG 3.68Å; T434-R462 VanDerWaalsContact CB-CZ 3.47Å; T434-R462 VanDerWaalsContact CB-NH1 3.29Å; T434-R462 PolarHBondContact O-NH1 3.17Å; T434-R462 PolarHBondContact OG1-NH1 3.07Å; F435-R462 HydrophobicContact CD2-CG 4.41Å; S449-R462 PolarHBondContact OG-NH1 3.27Å; S449-R462 PolarHBondContact OG-NH2 3.13Å; M450-R462 PolarHBondContact O-NH2 2.79Å; A458-R462 WeakPolarHBondContact O-CB 3.31Å; A458-R462 PolarHBondContact O-N 3.35Å; L460-R462 VanDerWaalsContact C-N 3.32Å; L460-R462 PolarHBondContact O-N 3.3Å; R462-G466 PolarHBondContact O-N 2.89Å; R462-G466 VanDerWaalsContact O-N 3.07Å
463	L	98.4	Very high	97.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.8	-42.6	172.9	-176.9	63.8	0	0	0	111.3	I341 I447 V459 L460 D461 G466 L467 I496	I341-L463 HydrophobicContact CB-CD2 4.11Å; I341-L463 HydrophobicContact CG2-CD2 3.49Å; I341-L463 VanDerWaalsContact CG2-CD2 3.49Å; I447-L463 HydrophobicContact CB-CD1 4.29Å; I447-L463 HydrophobicContact CG2-CD1 3.55Å; V459-L463 PolarHBondContact O-N 3.12Å; L460-L463 WeakPolarHBondContact O-CA 3.01Å; L460-L463 WeakPolarHBondContact O-CB 3.42Å; L460-L463 PolarHBondContact O-N 3.34Å; D461-L463 VanDerWaalsContact C-N 3.31Å; D461-L463 PolarHBondContact O-N 3.32Å; L463-G466 PolarHBondContact O-N 3.28Å; L463-L467 HydrophobicContact CD1-CD1 4.28Å; L463-L467 HydrophobicContact CD1-CG 4.46Å; L463-L467 HydrophobicContact CG-CD1 3.99Å; L463-L467 WeakPolarHBondContact O-CB 3.25Å; L463-L467 WeakPolarHBondContact O-CG 3.44Å; L463-L467 PolarHBondContact O-N 3.05Å; L463-I496 HydrophobicContact CD2-CD1 4.02Å
464	I	97.9	Very high	97.8	Very high	15 Å²	15	35.5 Å²	35.5	8%	0.077	19%	0.189	C	C	.	.	H	α-helix	trans	-61.8	-51.9	178.3	-66.7	164.9	0	0	0	110.3	L318 L320 L323 L460 D461 G466 L467 D468	L318-I464 HydrophobicContact CB-CD1 3.84Å; L318-I464 HydrophobicContact CB-CG1 3.62Å; L318-I464 HydrophobicContact CD1-CG1 3.82Å; L318-I464 HydrophobicContact CD2-CG1 4.47Å; L318-I464 HydrophobicContact CG-CG1 4.18Å; L320-I464 HydrophobicContact CD1-CD1 4.49Å; L320-I464 HydrophobicContact CD1-CG2 4.12Å; L323-I464 HydrophobicContact CD1-CD1 4.43Å; L323-I464 HydrophobicContact CD2-CD1 4.05Å; L460-I464 HydrophobicContact CD1-CD1 4.29Å; L460-I464 HydrophobicContact CD1-CG1 4.27Å; L460-I464 HydrophobicContact CD2-CD1 4.5Å; L460-I464 HydrophobicContact CG-CD1 3.88Å; L460-I464 HydrophobicContact CG-CG1 4.35Å; L460-I464 WeakPolarHBondContact O-CG1 3.42Å; L460-I464 PolarHBondContact O-N 3.48Å; D461-I464 WeakPolarHBondContact O-CB 3.36Å; D461-I464 PolarHBondContact O-N 3.11Å; D461-I464 VanDerWaalsContact O-N 3.12Å; I464-G466 VanDerWaalsContact C-N 3.31Å; I464-G466 PolarHBondContact O-N 2.87Å; I464-L467 PolarHBondContact O-N 3.45Å; I464-L467 VanDerWaalsContact O-N 3.16Å; I464-D468 WeakPolarHBondContact O-CB 3.34Å; I464-D468 PolarHBondContact O-N 3.39Å
465	R	97.6	Very high	97.9	Very high	54 Å²	54	40.6 Å²	40.6	20%	0.204	22%	0.22	C	C	.	.	H	α-helix	trans	-58	-43.9	178.7	-70.3	-173.7	-73.2	116.1	1.1	112.1	E377 D379 L380 D461 K469	E377-R465 WeakPolarHBondContact OE2-CD 3.33Å; E377-R465 IonicContact OE2-CZ 2.59Å; E377-R465 IonicContact OE2-NE 3.98Å; E377-R465 IonicContact OE2-NH1 2.99Å; E377-R465 PolarHBondContact OE2-NH1 3.27Å; D379-R465 IonicContact OD1-CZ 2.93Å; D379-R465 IonicContact OD1-NH1 2.68Å; D379-R465 PolarHBondContact OD1-NH1 2.68Å; D379-R465 IonicContact OD1-NH2 3.61Å; D379-R465 IonicContact OD2-CZ 2.67Å; D379-R465 IonicContact OD2-NH1 3.28Å; D379-R465 PolarHBondContact OD2-NH1 2.89Å; D379-R465 IonicContact OD2-NH2 3.55Å; D379-R465 PolarHBondContact OD2-NH2 3.11Å; L380-R465 HydrophobicContact CD1-CB 3.92Å; D461-R465 PolarHBondContact O-N 2.99Å; D461-R465 IonicContact OD2-CZ 2.72Å; D461-R465 IonicContact OD2-NE 2.77Å; D461-R465 PolarHBondContact OD2-NE 2.99Å; D461-R465 IonicContact OD2-NH2 3.36Å; D461-R465 PolarHBondContact OD2-NH2 3.15Å; D461-R465 VanDerWaalsContact OD2-NH2 3.12Å; R465-K469 WeakPolarHBondContact O-CB 3.43Å; R465-K469 PolarHBondContact O-N 3.17Å
466	G	97.9	Very high	97.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-46.3	174.7	0	0	0	0	0	113	R462 L463 I464 L470	R462-G466 PolarHBondContact O-N 2.89Å; R462-G466 VanDerWaalsContact O-N 3.07Å; L463-G466 PolarHBondContact O-N 3.28Å; I464-G466 VanDerWaalsContact C-N 3.31Å; I464-G466 PolarHBondContact O-N 2.87Å; G466-L470 WeakPolarHBondContact O-CB 3.14Å; G466-L470 WeakPolarHBondContact O-CD1 3.18Å; G466-L470 WeakPolarHBondContact O-CG 3.49Å; G466-L470 PolarHBondContact O-N 3.28Å
467	L	97.8	Very high	97.9	Very high	9 Å²	9	40.1 Å²	40.1	5%	0.047	22%	0.217	C	C	.	.	H	α-helix	trans	-65.3	-43.7	178.3	-85.1	169.7	0	0	0	112.9	L318 R345 I447 L463 I464 L470 G471	L318-L467 HydrophobicContact CD1-CD1 3.66Å; R345-L467 HydrophobicContact CG-CD2 4.07Å; I447-L467 HydrophobicContact CD1-CD2 3.44Å; I447-L467 VanDerWaalsContact CD1-CD2 3.44Å; I447-L467 HydrophobicContact CD1-CG 4.3Å; L463-L467 HydrophobicContact CD1-CD1 4.28Å; L463-L467 HydrophobicContact CD1-CG 4.46Å; L463-L467 HydrophobicContact CG-CD1 3.99Å; L463-L467 WeakPolarHBondContact O-CB 3.25Å; L463-L467 WeakPolarHBondContact O-CG 3.44Å; L463-L467 PolarHBondContact O-N 3.05Å; I464-L467 PolarHBondContact O-N 3.45Å; I464-L467 VanDerWaalsContact O-N 3.16Å; L467-L470 PolarHBondContact O-N 3.19Å; L467-G471 PolarHBondContact O-N 3.47Å
468	D	96.6	Very high	97.9	Very high	116 Å²	116	38.1 Å²	38.1	62%	0.62	21%	0.21	S	C	*	.	H	α-helix	trans	-60.4	-50.6	178.9	-173.8	56.3	0	0	0	109.8	I464 L470 G471 T472	I464-D468 WeakPolarHBondContact O-CB 3.34Å; I464-D468 PolarHBondContact O-N 3.39Å; D468-L470 PolarHBondContact O-N 3.38Å; D468-G471 PolarHBondContact O-N 3.29Å; D468-G471 VanDerWaalsContact O-N 3.13Å; D468-T472 WeakPolarHBondContact O-CG2 3.38Å; D468-T472 PolarHBondContact O-N 3.06Å; D468-T472 VanDerWaalsContact O-N 3.12Å
469	K	97.8	Very high	97.9	Very high	75 Å²	75	39 Å²	39	33%	0.326	21%	0.21	S	C	.	.	H	α-helix	trans	-61.9	-44.7	178.9	-173.9	54	176.3	176.1	0	112.6	A374 L375 R465 G471 T472	A374-K469 WeakPolarHBondContact O-CE 3.43Å; L375-K469 HydrophobicContact CD2-CB 3.94Å; L375-K469 HydrophobicContact CD2-CG 3.69Å; R465-K469 WeakPolarHBondContact O-CB 3.43Å; R465-K469 PolarHBondContact O-N 3.17Å; K469-G471 VanDerWaalsContact C-N 3.32Å; K469-G471 PolarHBondContact O-N 3.48Å; K469-T472 PolarHBondContact O-N 3.16Å; K469-T472 PolarHBondContact O-OG1 2.68Å
470	L	98.3	Very high	97.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-39.8	175.5	-70.4	170.7	0	0	0	111.7	A371 L372 I437 I447 G466 L467 D468 T472 L473 L474 F476	A371-L470 HydrophobicContact CB-CD2 3.8Å; L372-L470 HydrophobicContact CD2-CD2 4.21Å; I437-L470 HydrophobicContact CD1-CD1 3.76Å; I447-L470 HydrophobicContact CD1-CD1 3.86Å; I447-L470 HydrophobicContact CG1-CD1 4.39Å; G466-L470 WeakPolarHBondContact O-CB 3.14Å; G466-L470 WeakPolarHBondContact O-CD1 3.18Å; G466-L470 WeakPolarHBondContact O-CG 3.49Å; G466-L470 PolarHBondContact O-N 3.28Å; L467-L470 PolarHBondContact O-N 3.19Å; D468-L470 PolarHBondContact O-N 3.38Å; L470-T472 PolarHBondContact O-N 3.27Å; L470-L473 PolarHBondContact O-N 2.79Å; L470-L474 HydrophobicContact CD2-CD1 4.34Å; L470-L474 WeakPolarHBondContact O-CB 3.4Å; L470-L474 PolarHBondContact O-N 3.32Å; L470-F476 HydrophobicContact CB-CZ 4.09Å
471	G	97.2	Very high	97.7	Very high	36 Å²	36	46.5 Å²	46.5	37%	0.371	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-24.1	178.7	0	0	0	0	0	114	L467 D468 K469 L473	L467-G471 PolarHBondContact O-N 3.47Å; D468-G471 PolarHBondContact O-N 3.29Å; D468-G471 VanDerWaalsContact O-N 3.13Å; K469-G471 VanDerWaalsContact C-N 3.32Å; K469-G471 PolarHBondContact O-N 3.48Å; G471-L473 VanDerWaalsContact C-N 3.25Å; G471-L473 PolarHBondContact O-N 3.21Å
472	T	97.4	Very high	97.7	Very high	86 Å²	86	44.4 Å²	44.4	53%	0.528	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.1	172.6	68.8	0	0	0	0	113.9	D468 K469 L470	D468-T472 WeakPolarHBondContact O-CG2 3.38Å; D468-T472 PolarHBondContact O-N 3.06Å; D468-T472 VanDerWaalsContact O-N 3.12Å; K469-T472 PolarHBondContact O-N 3.16Å; K469-T472 PolarHBondContact O-OG1 2.68Å; L470-T472 PolarHBondContact O-N 3.27Å
473	L	97.5	Very high	97.7	Very high	94 Å²	94	44 Å²	44	49%	0.492	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-21.4	-175.8	-63.9	173.4	0	0	0	112.9	A371 A374 L470 G471	A371-L473 HydrophobicContact CB-CB 3.97Å; A371-L473 HydrophobicContact CB-CD1 4.1Å; A374-L473 HydrophobicContact CB-CD1 3.49Å; A374-L473 VanDerWaalsContact CB-CD1 3.49Å; L470-L473 PolarHBondContact O-N 2.79Å; G471-L473 VanDerWaalsContact C-N 3.25Å; G471-L473 PolarHBondContact O-N 3.21Å
474	L	98.3	Very high	97.7	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.042	24%	0.238	C	C	.	.	S	Bend	trans	-122.8	120.6	-177.1	-59	177.5	0	0	0	109.9	L347 K367 V368 A371 L445 L470 F476	L347-L474 HydrophobicContact CD1-CD2 4.44Å; L347-L474 HydrophobicContact CD2-CB 3.89Å; L347-L474 HydrophobicContact CD2-CD1 4.35Å; L347-L474 HydrophobicContact CD2-CD2 4.39Å; L347-L474 HydrophobicContact CD2-CG 4.45Å; K367-L474 HydrophobicContact CB-CD2 4Å; V368-L474 HydrophobicContact CG2-CD1 4.12Å; A371-L474 HydrophobicContact CB-CD1 3.86Å; A371-L474 HydrophobicContact CB-CD2 4.23Å; A371-L474 HydrophobicContact CB-CG 3.84Å; L445-L474 HydrophobicContact CD1-CD1 3.97Å; L470-L474 HydrophobicContact CD2-CD1 4.34Å; L470-L474 WeakPolarHBondContact O-CB 3.4Å; L470-L474 PolarHBondContact O-N 3.32Å; L474-F476 HydrophobicContact CB-CE1 3.87Å; L474-F476 HydrophobicContact CB-CZ 4.02Å; L474-F476 HydrophobicContact CD1-CE1 4.27Å; L474-F476 HydrophobicContact CD1-CZ 4.39Å; L474-F476 PolarHBondContact O-N 3.32Å
475	T	98.2	Very high	97.7	Very high	109 Å²	109	45.1 Å²	45.1	67%	0.669	24%	0.238	S	C	*	.			trans	-81.6	114.2	172.5	-48.4	0	0	0	0	109.8	L347 A348	L347-T475 WeakPolarHBondContact CA-O 3.33Å; A348-T475 HydrophobicContact CB-CG2 3.9Å; A348-T475 PolarHBondContact N-O 3.17Å
476	F	98.4	Very high	97.7	Very high	27 Å²	27	42.5 Å²	42.5	12%	0.118	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-87.2	144.5	179.2	-61.4	-50.3	0	0	0	112.5	R345 T346 L347 L445 L470 L474 W484	R345-F476 HydrophobicContact CB-CD1 3.59Å; R345-F476 HydrophobicContact CB-CE1 3.71Å; R345-F476 HydrophobicContact CB-CG 4.12Å; R345-F476 HydrophobicContact CB-CZ 4.3Å; R345-F476 HydrophobicContact CG-CD1 4.05Å; R345-F476 HydrophobicContact CG-CD2 4.27Å; R345-F476 HydrophobicContact CG-CE1 4.13Å; R345-F476 HydrophobicContact CG-CE2 4.32Å; R345-F476 HydrophobicContact CG-CG 4.14Å; R345-F476 HydrophobicContact CG-CZ 4.25Å; T346-F476 CarbonylContact O-C 3.47Å; T346-F476 VanDerWaalsContact O-CA 3.25Å; T346-F476 WeakPolarHBondContact O-CA 3.39Å; L347-F476 HydrophobicContact CD2-CD1 3.75Å; L347-F476 HydrophobicContact CD2-CE1 3.76Å; L445-F476 HydrophobicContact CD1-CE1 3.69Å; L445-F476 HydrophobicContact CD1-CZ 4.16Å; L470-F476 HydrophobicContact CB-CZ 4.09Å; L474-F476 HydrophobicContact CB-CE1 3.87Å; L474-F476 HydrophobicContact CB-CZ 4.02Å; L474-F476 HydrophobicContact CD1-CE1 4.27Å; L474-F476 HydrophobicContact CD1-CZ 4.39Å; L474-F476 PolarHBondContact O-N 3.32Å; F476-W484 HydrophobicContact CB-CE3 4.05Å; F476-W484 HydrophobicContact CB-CH2 4.31Å; F476-W484 HydrophobicContact CB-CZ3 3.47Å; F476-W484 VanDerWaalsContact CB-CZ3 3.47Å; F476-W484 HydrophobicContact CG-CZ3 4.48Å
477	A	97.9	Very high	97.6	Very high	11 Å²	11	42.6 Å²	42.6	9%	0.091	23%	0.229	C	C	.	.			trans	-80.4	120.4	179.1	0	0	0	0	0	111.3	T346 A348 L485	T346-A477 PolarHBondContact O-N 3.27Å; A348-A477 HydrophobicContact CB-CB 4.41Å; A477-L485 HydrophobicContact CB-CB 4.45Å; A477-L485 HydrophobicContact CB-CD1 4.49Å; A477-L485 PolarHBondContact O-N 2.93Å; A477-L485 VanDerWaalsContact O-N 3.13Å
478	R	97.5	Very high	97.5	Very high	73 Å²	73	42.4 Å²	42.4	28%	0.275	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137.2	177.7	-167.2	-177	167.7	-75.2	-2.1	109.8	P314 D480 G483 W484	P314-R478 PolarHBondContact O-NH2 3.39Å; R478-D480 IonicContact NH1-OD1 3.68Å; R478-D480 PolarHBondContact NH1-OD1 3.49Å; R478-D480 VanDerWaalsContact NH1-OD1 3.15Å; R478-G483 CarbonylContact C-O 3.53Å; R478-G483 WeakPolarHBondContact CA-O 3.35Å; R478-G483 WeakPolarHBondContact CG-O 3.38Å; R478-W484 HydrophobicContact CB-CD2 4.35Å; R478-W484 HydrophobicContact CB-CE3 3.68Å; R478-W484 HydrophobicContact CB-CH2 4.46Å; R478-W484 HydrophobicContact CB-CZ3 3.72Å; R478-W484 HydrophobicContact CG-CD2 4.18Å; R478-W484 HydrophobicContact CG-CE3 4.01Å; R478-W484 HydrophobicContact CG-CZ3 4.25Å
479	D	97.3	Very high	97.4	Very high	50 Å²	50	36.9 Å²	36.9	27%	0.267	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	144.8	169.2	177.3	-99	0	0	0	110.2	R481 L482 G483 L485	D479-R481 VanDerWaalsContact C-N 3.28Å; D479-R481 PolarHBondContact O-N 2.86Å; D479-R481 VanDerWaalsContact OD1-CA 3.3Å; D479-R481 WeakPolarHBondContact OD1-CA 3.44Å; D479-R481 VanDerWaalsContact OD1-CB 3.24Å; D479-R481 WeakPolarHBondContact OD1-CB 3.47Å; D479-R481 PolarHBondContact OD1-N 3.04Å; D479-L482 HydrophobicContact CB-CB 4.23Å; D479-L482 PolarHBondContact OD1-N 3.15Å; D479-G483 PolarHBondContact N-O 3.2Å; D479-G483 VanDerWaalsContact O-CA 3.27Å; D479-G483 WeakPolarHBondContact O-CA 3.39Å; D479-G483 PolarHBondContact O-N 3.39Å; D479-L485 HydrophobicContact CB-CD1 4.28Å; D479-L485 HydrophobicContact CB-CD2 3.86Å; D479-L485 HydrophobicContact CB-CG 4.23Å
480	D	96.1	Very high	97.2	Very high	109 Å²	109	34 Å²	34	58%	0.583	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-26.4	-178	-75.8	-21.7	0	0	0	113.6	R478	R478-D480 IonicContact NH1-OD1 3.68Å; R478-D480 PolarHBondContact NH1-OD1 3.49Å; R478-D480 VanDerWaalsContact NH1-OD1 3.15Å
481	R	97.4	Very high	97.1	Very high	47 Å²	47	34.5 Å²	34.5	18%	0.177	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-48.1	178.1	-172.8	-171.1	148.5	-148.2	-21.6	110.8	D298 F307 P309 S311 R312 Q313 D479	D298-R481 VanDerWaalsContact CG-NH2 3.27Å; D298-R481 IonicContact OD1-CZ 3.7Å; D298-R481 IonicContact OD1-NH1 2.95Å; D298-R481 PolarHBondContact OD1-NH1 3.25Å; D298-R481 IonicContact OD1-NH2 3.53Å; D298-R481 PolarHBondContact OD1-NH2 2.9Å; D298-R481 IonicContact OD2-CZ 2.99Å; D298-R481 IonicContact OD2-NH1 2.98Å; D298-R481 PolarHBondContact OD2-NH1 3.12Å; D298-R481 IonicContact OD2-NH2 3.42Å; F307-R481 HydrophobicContact CE1-CG 4.31Å; F307-R481 WeakPolarHBondContact CE1-O 3.49Å; F307-R481 WeakPolarHBondContact CZ-O 3.5Å; P309-R481 PolarHBondContact O-NE 2.94Å; P309-R481 VanDerWaalsContact O-NE 3.09Å; S311-R481 WeakPolarHBondContact O-CG 3.42Å; R312-R481 HydrophobicContact CG-CG 4.47Å; Q313-R481 VanDerWaalsContact CB-O 3.28Å; Q313-R481 WeakPolarHBondContact CB-O 3.28Å; Q313-R481 PolarHBondContact N-O 3.09Å; D479-R481 VanDerWaalsContact C-N 3.28Å; D479-R481 PolarHBondContact O-N 2.86Å; D479-R481 VanDerWaalsContact OD1-CA 3.3Å; D479-R481 WeakPolarHBondContact OD1-CA 3.44Å; D479-R481 VanDerWaalsContact OD1-CB 3.24Å; D479-R481 WeakPolarHBondContact OD1-CB 3.47Å; D479-R481 PolarHBondContact OD1-N 3.04Å
482	L	98	Very high	97.1	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.026	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-9.8	-170.8	-58.5	-179.7	0	0	0	114.1	Y290 I301 F307 D479 L485 G493 M547	Y290-L482 HydrophobicContact CD1-CD1 4.11Å; Y290-L482 HydrophobicContact CG-CD1 3.93Å; I301-L482 HydrophobicContact CD1-CD1 4.43Å; I301-L482 HydrophobicContact CD1-CD2 4.14Å; F307-L482 HydrophobicContact CE1-CD2 4.33Å; D479-L482 HydrophobicContact CB-CB 4.23Å; D479-L482 PolarHBondContact OD1-N 3.15Å; L482-L485 HydrophobicContact CB-CD2 4.12Å; L482-L485 HydrophobicContact CD1-CD2 4.47Å; L482-G493 WeakPolarHBondContact O-CA 3.41Å; L482-G493 PolarHBondContact O-N 2.82Å; L482-M547 HydrophobicContact CB-CE 4.32Å; L482-M547 HydrophobicContact CD2-CE 3.88Å
483	G	98.2	Very high	97.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.3	-148.6	-177	0	0	0	0	0	113	R478 D479 L485	R478-G483 CarbonylContact C-O 3.53Å; R478-G483 WeakPolarHBondContact CA-O 3.35Å; R478-G483 WeakPolarHBondContact CG-O 3.38Å; D479-G483 PolarHBondContact N-O 3.2Å; D479-G483 VanDerWaalsContact O-CA 3.27Å; D479-G483 WeakPolarHBondContact O-CA 3.39Å; D479-G483 PolarHBondContact O-N 3.39Å; G483-L485 PolarHBondContact O-N 3.46Å
484	W	98.4	Very high	97.2	Very high	23 Å²	23	24.2 Å²	24.2	9%	0.087	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	128.8	176.2	-60.8	106.4	0	0	0	110	F316 R345 F476 R478 G493 T495 E551	F316-W484 HydrophobicContact CB-CZ2 4.09Å; F316-W484 HydrophobicContact CD1-CZ2 4.16Å; F316-W484 AromaticContact CD2-CE2 3.74Å; F316-W484 AromaticContact CD2-CZ2 3.44Å; F316-W484 HydrophobicContact CD2-CZ2 3.44Å; F316-W484 VanDerWaalsContact CD2-CZ2 3.44Å; F316-W484 AromaticContact CD2-NE1 3.45Å; F316-W484 HydrophobicContact CE1-CZ2 4.45Å; F316-W484 AromaticContact CE2-CZ2 3.78Å; F316-W484 HydrophobicContact CE2-CZ2 3.78Å; F316-W484 AromaticContact CE2-NE1 3.91Å; F316-W484 AromaticContact CG-CZ2 3.62Å; F316-W484 HydrophobicContact CG-CZ2 3.62Å; F316-W484 HydrophobicContact CZ-CZ2 4.26Å; R345-W484 VanDerWaalsContact NH2-CE2 3.34Å; F476-W484 HydrophobicContact CB-CE3 4.05Å; F476-W484 HydrophobicContact CB-CH2 4.31Å; F476-W484 HydrophobicContact CB-CZ3 3.47Å; F476-W484 VanDerWaalsContact CB-CZ3 3.47Å; F476-W484 HydrophobicContact CG-CZ3 4.48Å; R478-W484 HydrophobicContact CB-CD2 4.35Å; R478-W484 HydrophobicContact CB-CE3 3.68Å; R478-W484 HydrophobicContact CB-CH2 4.46Å; R478-W484 HydrophobicContact CB-CZ3 3.72Å; R478-W484 HydrophobicContact CG-CD2 4.18Å; R478-W484 HydrophobicContact CG-CE3 4.01Å; R478-W484 HydrophobicContact CG-CZ3 4.25Å; W484-G493 WeakPolarHBondContact CB-O 3.18Å; W484-G493 VanDerWaalsContact CD1-O 3.29Å; W484-G493 PolarHBondContact N-O 3.12Å; W484-T495 HydrophobicContact CB-CG2 3.55Å; W484-E551 PolarHBondContact NE1-OE1 2.92Å
485	L	98.4	Very high	97.2	Very high	14 Å²	14	24.1 Å²	24.1	7%	0.073	12%	0.123	C	C	.	.			trans	-85.9	138.5	-176.9	-60.5	179.1	0	0	0	110.4	A287 Y290 T346 F352 A477 D479 L482 G483 L492	A287-L485 HydrophobicContact CB-CD1 3.51Å; Y290-L485 HydrophobicContact CD2-CD2 4.1Å; Y290-L485 HydrophobicContact CE2-CD2 4.46Å; T346-L485 WeakPolarHBondContact CG2-O 3.33Å; T346-L485 PolarHBondContact OG1-O 2.8Å; F352-L485 HydrophobicContact CZ-CB 4.08Å; A477-L485 HydrophobicContact CB-CB 4.45Å; A477-L485 HydrophobicContact CB-CD1 4.49Å; A477-L485 PolarHBondContact O-N 2.93Å; A477-L485 VanDerWaalsContact O-N 3.13Å; D479-L485 HydrophobicContact CB-CD1 4.28Å; D479-L485 HydrophobicContact CB-CD2 3.86Å; D479-L485 HydrophobicContact CB-CG 4.23Å; L482-L485 HydrophobicContact CB-CD2 4.12Å; L482-L485 HydrophobicContact CD1-CD2 4.47Å; G483-L485 PolarHBondContact O-N 3.46Å; L485-L492 HydrophobicContact CD2-CD2 4.07Å
486	S	97.2	Very high	97.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.092	C	C	.	.			trans	-134.3	156.6	177.8	172.3	0	0	0	0	109.2	Y290 D443 C488 N491	Y290-S486 WeakPolarHBondContact CE2-O 3.34Å; Y290-S486 PolarHBondContact OH-O 3.42Å; D443-S486 VanDerWaalsContact CG-OG 3.23Å; D443-S486 VanDerWaalsContact OD1-CA 3.27Å; D443-S486 WeakPolarHBondContact OD1-CA 3.46Å; D443-S486 WeakPolarHBondContact OD1-CB 3.46Å; D443-S486 PolarHBondContact OD1-OG 3.06Å; D443-S486 PolarHBondContact OD2-OG 3.33Å; S486-C488 PolarHBondContact O-N 2.82Å; S486-C488 PolarHBondContact OG-N 3.18Å; S486-N491 WeakPolarHBondContact OG-CB 3.47Å
487	F	95.4	Very high	97.1	Very high	1 Å²	1	18.1 Å²	18.1	0%	0.004	9%	0.088	C	C	.	.	S	Bend	trans	-55.2	-37.3	170.9	165.5	-111.3	0	0	0	112.6	Y283 A284 F352 P354 L412 A415 A417 E442 D443	Y283-F487 AromaticContact CD1-CD1 3.77Å; Y283-F487 HydrophobicContact CD1-CD1 3.77Å; Y283-F487 AromaticContact CD1-CE1 3.21Å; Y283-F487 HydrophobicContact CD1-CE1 3.21Å; Y283-F487 HydrophobicContact CD1-CE2 4.09Å; Y283-F487 HydrophobicContact CD1-CG 4.44Å; Y283-F487 AromaticContact CD1-CZ 3.39Å; Y283-F487 HydrophobicContact CD1-CZ 3.39Å; Y283-F487 HydrophobicContact CD2-CZ 4.2Å; Y283-F487 HydrophobicContact CE1-CD1 4.39Å; Y283-F487 AromaticContact CE1-CE1 3.75Å; Y283-F487 HydrophobicContact CE1-CE1 3.75Å; Y283-F487 HydrophobicContact CE1-CZ 4.22Å; Y283-F487 AromaticContact CG-CE1 3.76Å; Y283-F487 HydrophobicContact CG-CE1 3.76Å; Y283-F487 AromaticContact CG-CE2 3.91Å; Y283-F487 HydrophobicContact CG-CE2 3.91Å; Y283-F487 AromaticContact CG-CZ 3.38Å; Y283-F487 HydrophobicContact CG-CZ 3.38Å; A284-F487 PolarHBondContact N-O 3.29Å; A284-F487 WeakPolarHBondContact O-CD2 3.36Å; F352-F487 HydrophobicContact CB-CB 4.21Å; F352-F487 HydrophobicContact CB-CD2 4.36Å; F352-F487 HydrophobicContact CD2-CB 4.31Å; F352-F487 HydrophobicContact CG-CB 4.33Å; P354-F487 HydrophobicContact CG-CD2 3.63Å; P354-F487 HydrophobicContact CG-CE2 3.18Å; P354-F487 HydrophobicContact CG-CZ 4.1Å; L412-F487 HydrophobicContact CD2-CD1 4.4Å; L412-F487 HydrophobicContact CD2-CE1 3.75Å; A415-F487 HydrophobicContact CB-CE2 4.33Å; A415-F487 HydrophobicContact CB-CZ 3.6Å; A417-F487 HydrophobicContact CB-CE1 4.23Å; A417-F487 HydrophobicContact CB-CZ 4.05Å; E442-F487 HydrophobicContact CG-CD1 3.84Å; E442-F487 HydrophobicContact CG-CE1 4.5Å; D443-F487 PolarHBondContact OD1-N 3.35Å
488	C	95.3	Very high	97.1	Very high	5 Å²	5	17.6 Å²	17.6	3%	0.034	8%	0.084	C	C	.	.	S	Bend	trans	-100	124	-178.3	-170.1	0	0	0	0	111.4	Y283 E442 S486 T490 N491	Y283-C488 HydrophobicContact CD1-CB 4.02Å; Y283-C488 HydrophobicContact CE1-CB 4.02Å; E442-C488 VanDerWaalsContact OE1-CB 3.29Å; E442-C488 WeakPolarHBondContact OE1-CB 3.37Å; S486-C488 PolarHBondContact O-N 2.82Å; S486-C488 PolarHBondContact OG-N 3.18Å; C488-T490 PolarHBondContact O-N 3.48Å; C488-T490 PolarHBondContact SG-OG1 3.19Å; C488-N491 HydrophobicContact CB-CB 4.43Å; C488-N491 PolarHBondContact O-N 2.84Å
489	P	96.1	Very high	97.1	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-56.3	-27.3	177.7	-26.4	34.3	0	0	0	114.3	I280 V282 Y290 F297 H305 N491 L492	I280-P489 HydrophobicContact CD1-CB 4.44Å; I280-P489 HydrophobicContact CG1-CB 4.26Å; I280-P489 HydrophobicContact CG1-CG 4.32Å; V282-P489 HydrophobicContact CG1-CG 4.45Å; V282-P489 WeakPolarHBondContact O-CD 3.46Å; Y290-P489 HydrophobicContact CE1-CG 4.3Å; F297-P489 HydrophobicContact CD1-CG 3.97Å; F297-P489 HydrophobicContact CE1-CG 3.81Å; H305-P489 PolarHBondContact NE2-O 3.16Å; P489-N491 PolarHBondContact O-N 3.01Å; P489-L492 HydrophobicContact CB-CD1 4.45Å; P489-L492 WeakPolarHBondContact O-CG 3.11Å; P489-L492 PolarHBondContact O-N 3.48Å
490	T	93.7	Very high	97.1	Very high	14 Å²	14	12 Å²	12	9%	0.086	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-71.1	-14.3	177.6	69.1	0	0	0	0	113.2	I280 Y304 H305 C488	I280-T490 HydrophobicContact CB-CG2 3.88Å; I280-T490 HydrophobicContact CD1-CG2 3.89Å; I280-T490 HydrophobicContact CG1-CG2 3.92Å; I280-T490 HydrophobicContact CG2-CG2 4.37Å; Y304-T490 HydrophobicContact CD1-CG2 4.19Å; Y304-T490 HydrophobicContact CD2-CG2 4.12Å; Y304-T490 HydrophobicContact CE1-CG2 3.85Å; Y304-T490 HydrophobicContact CE2-CG2 3.77Å; Y304-T490 HydrophobicContact CG-CG2 4.32Å; H305-T490 PolarHBondContact CE1-O 2.9Å; H305-T490 VanDerWaalsContact CE1-O 3.3Å; C488-T490 PolarHBondContact O-N 3.48Å; C488-T490 PolarHBondContact SG-OG1 3.19Å
491	N	95.5	Very high	97.1	Very high	12 Å²	12	7.3 Å²	7.3	6%	0.064	3%	0.034	C	C	.	.	G	3₁₀ helix	trans	-102.9	2.5	-178.5	-66.8	-18.2	0	0	0	113.4	E442 S486 C488 P489 T495 R546	E442-N491 PolarHBondContact OE1-ND2 3.37Å; S486-N491 WeakPolarHBondContact OG-CB 3.47Å; C488-N491 HydrophobicContact CB-CB 4.43Å; C488-N491 PolarHBondContact O-N 2.84Å; P489-N491 PolarHBondContact O-N 3.01Å; N491-T495 WeakPolarHBondContact O-CA 3.39Å; N491-T495 WeakPolarHBondContact O-CG2 3.4Å; N491-R546 PolarHBondContact OD1-NH1 2.99Å
492	L	97.7	Very high	97	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.026	C	C	.	.			trans	-63.4	168.5	176.6	-66.4	173.8	0	0	0	113.6	Y290 I301 L485 P489 R546 M547	Y290-L492 HydrophobicContact CD1-CD1 4.29Å; Y290-L492 HydrophobicContact CE1-CD1 3.67Å; Y290-L492 HydrophobicContact CE1-CD2 4.36Å; Y290-L492 HydrophobicContact CE1-CG 4.46Å; Y290-L492 HydrophobicContact CE2-CD2 3.88Å; I301-L492 HydrophobicContact CD1-CD1 3.63Å; I301-L492 HydrophobicContact CG1-CD1 3.96Å; L485-L492 HydrophobicContact CD2-CD2 4.07Å; P489-L492 HydrophobicContact CB-CD1 4.45Å; P489-L492 WeakPolarHBondContact O-CG 3.11Å; P489-L492 PolarHBondContact O-N 3.48Å; L492-R546 WeakPolarHBondContact O-CB 3.31Å; L492-M547 HydrophobicContact CB-CE 4.27Å; L492-M547 HydrophobicContact CB-CG 4.39Å; L492-M547 HydrophobicContact CB-SD 3.85Å
493	G	98.1	Very high	96.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.044	C	C	.	.	B	Isolated β-bridge	trans	89.9	-120.3	178.5	0	0	0	0	0	112.1	L482 W484 T495 R546	L482-G493 WeakPolarHBondContact O-CA 3.41Å; L482-G493 PolarHBondContact O-N 2.82Å; W484-G493 WeakPolarHBondContact CB-O 3.18Å; W484-G493 VanDerWaalsContact CD1-O 3.29Å; W484-G493 PolarHBondContact N-O 3.12Å; G493-T495 VanDerWaalsContact C-N 3.26Å; G493-T495 PolarHBondContact O-N 2.92Å; G493-R546 CarbonylContact C-O 3.54Å; G493-R546 WeakPolarHBondContact CA-O 3.41Å
494	T	98	Very high	96.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-25.9	176.4	61.5	0	0	0	0	112.2	I496 R546 I549 T550 E551 A554	T494-I496 PolarHBondContact O-N 3.39Å; T494-I496 PolarHBondContact OG1-N 2.9Å; T494-I496 VanDerWaalsContact OG1-N 3.16Å; T494-R546 WeakPolarHBondContact CG2-O 3.14Å; T494-R546 PolarHBondContact N-O 2.59Å; T494-R546 PolarHBondContact OG1-O 3.37Å; T494-I549 HydrophobicContact CG2-CG1 4.38Å; T494-I549 WeakPolarHBondContact CG2-O 3.49Å; T494-T550 VanDerWaalsContact CG2-C 3.46Å; T494-T550 WeakPolarHBondContact CG2-O 3.29Å; T494-E551 HydrophobicContact CG2-CB 4.48Å; T494-E551 HydrophobicContact CG2-CG 4.13Å; T494-A554 HydrophobicContact CG2-CB 4.44Å
495	T	97.6	Very high	96.5	Very high	5 Å²	5	11 Å²	11	3%	0.031	6%	0.057	C	C	.	.			trans	56.9	4.5	-164.4	72.3	0	0	0	0	114.3	C343 A344 R345 W484 N491 G493	C343-T495 WeakPolarHBondContact CA-O 3.27Å; A344-T495 HydrophobicContact CB-CG2 4.26Å; A344-T495 PolarHBondContact N-OG1 2.84Å; A344-T495 PolarHBondContact O-OG1 3.48Å; R345-T495 PolarHBondContact NH1-OG1 3.37Å; W484-T495 HydrophobicContact CB-CG2 3.55Å; N491-T495 WeakPolarHBondContact O-CA 3.39Å; N491-T495 WeakPolarHBondContact O-CG2 3.4Å; G493-T495 VanDerWaalsContact C-N 3.26Å; G493-T495 PolarHBondContact O-N 2.92Å
496	I	98	Very high	96.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.			trans	-78.4	131.3	-174.7	-70.7	-79.2	0	0	0	109.6	L318 I341 R342 C343 L463 T494 A498 N543 E551 A554 V555	L318-I496 HydrophobicContact CD2-CD1 4.25Å; I341-I496 HydrophobicContact CG2-CD1 4.22Å; I341-I496 HydrophobicContact CG2-CG2 4.17Å; R342-I496 CarbonylContact O-C 3.57Å; R342-I496 WeakPolarHBondContact O-CA 3.35Å; C343-I496 HydrophobicContact CB-CD1 3.72Å; C343-I496 HydrophobicContact CB-CG1 4.39Å; L463-I496 HydrophobicContact CD2-CD1 4.02Å; T494-I496 PolarHBondContact O-N 3.39Å; T494-I496 PolarHBondContact OG1-N 2.9Å; T494-I496 VanDerWaalsContact OG1-N 3.16Å; I496-A498 HydrophobicContact CG2-CB 4.36Å; I496-N543 PolarHBondContact O-ND2 3.35Å; I496-E551 HydrophobicContact CG1-CB 3.93Å; I496-E551 HydrophobicContact CG1-CG 3.85Å; I496-A554 HydrophobicContact CB-CB 4.34Å; I496-A554 HydrophobicContact CG2-CB 4.17Å; I496-V555 HydrophobicContact CG2-CG2 3.97Å
497	R	97.2	Very high	96.1	Very high	11 Å²	11	12 Å²	12	4%	0.042	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	102	159.7	-173.4	168.1	174	-141.2	-24.9	108.7	R342 D540 S542 N543	R342-R497 HydrophobicContact CG-CB 4.01Å; R342-R497 PolarHBondContact N-O 3.48Å; R342-R497 PolarHBondContact O-N 3.42Å; R497-D540 IonicContact CZ-OD2 2.72Å; R497-D540 IonicContact NH2-OD1 3.12Å; R497-D540 PolarHBondContact NH2-OD1 3.12Å; R497-D540 IonicContact NH2-OD2 3.23Å; R497-D540 PolarHBondContact NH2-OD2 2.81Å; R497-S542 PolarHBondContact NE-OG 3.28Å; R497-S542 VanDerWaalsContact NE-OG 3.07Å; R497-N543 WeakPolarHBondContact CA-OD1 3.29Å
498	A	98.3	Very high	96	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.5	167.8	0	0	0	0	0	108.1	R340 I341 I496 S542 N543 V555 M558	R340-A498 CarbonylContact O-C 3.57Å; I341-A498 HydrophobicContact CG1-CB 3.99Å; I341-A498 HydrophobicContact CG2-CB 4.24Å; I496-A498 HydrophobicContact CG2-CB 4.36Å; A498-S542 WeakPolarHBondContact O-CA 3.32Å; A498-S542 WeakPolarHBondContact O-CB 3.06Å; A498-N543 PolarHBondContact N-OD1 3.23Å; A498-N543 PolarHBondContact O-N 3.1Å; A498-N543 PolarHBondContact O-OD1 3.31Å; A498-N543 VanDerWaalsContact O-OD1 3.1Å; A498-V555 HydrophobicContact CB-CB 4.33Å; A498-V555 HydrophobicContact CB-CG1 4.31Å; A498-V555 HydrophobicContact CB-CG2 4.05Å; A498-M558 HydrophobicContact CB-CB 4.16Å; A498-M558 HydrophobicContact CB-CE 3.64Å; A498-M558 HydrophobicContact CB-CG 4.35Å; A498-M558 WeakPolarHBondContact O-CG 3.38Å
499	S	97.7	Very high	95.8	Very high	5 Å²	5	16.9 Å²	16.9	4%	0.035	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	153.6	179.3	75.6	0	0	0	0	112.9	R340 D540 I541	R340-S499 PolarHBondContact N-O 3.36Å; R340-S499 PolarHBondContact O-N 2.62Å; R340-S499 VanDerWaalsContact O-O 3.12Å; S499-D540 VanDerWaalsContact CB-OD1 3.23Å; S499-D540 WeakPolarHBondContact CB-OD1 3.22Å; S499-D540 PolarHBondContact OG-OD1 3.13Å; S499-I541 CarbonylContact C-O 3.58Å; S499-I541 WeakPolarHBondContact CA-O 3.47Å; S499-I541 WeakPolarHBondContact CB-O 3.47Å
500	V	97.7	Very high	95.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	148.5	167.6	-63.4	0	0	0	0	109	I336 S338 T339 I502 I541 M558 V562	I336-V500 HydrophobicContact CD1-CG1 4.48Å; I336-V500 HydrophobicContact CG2-CB 4.29Å; I336-V500 HydrophobicContact CG2-CG1 4.4Å; S338-V500 WeakPolarHBondContact O-CA 3.44Å; T339-V500 HydrophobicContact CG2-CG1 4.33Å; V500-I502 HydrophobicContact CG2-CB 4.11Å; V500-I502 HydrophobicContact CG2-CG2 4.14Å; V500-I541 HydrophobicContact CG2-CB 4.29Å; V500-I541 PolarHBondContact N-O 3.11Å; V500-I541 PolarHBondContact O-N 2.82Å; V500-M558 HydrophobicContact CG1-CE 4.27Å; V500-M558 HydrophobicContact CG1-SD 3.81Å; V500-M558 HydrophobicContact CG2-SD 4.48Å; V500-V562 HydrophobicContact CG2-CB 4.32Å; V500-V562 HydrophobicContact CG2-CG1 3.91Å; V500-V562 HydrophobicContact CG2-CG2 3.41Å; V500-V562 VanDerWaalsContact CG2-CG2 3.41Å
501	H	94.9	Very high	95.5	Very high	11 Å²	11	26.4 Å²	26.4	5%	0.051	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115.6	163.7	-64.1	144	0	0	0	108.6	W3 Q337 S338 H539	W3-H501 AromaticContact CE3-CE1 3.45Å; W3-H501 VanDerWaalsContact CE3-CE1 3.45Å; W3-H501 AromaticContact CE3-ND1 3.57Å; W3-H501 HydrophobicContact CH2-CB 3.18Å; W3-H501 AromaticContact CH2-CE1 3.93Å; W3-H501 AromaticContact CH2-CG 3.37Å; W3-H501 AromaticContact CH2-ND1 3.15Å; W3-H501 WeakPolarHBondContact CH2-ND1 3.48Å; W3-H501 HydrophobicContact CZ2-CB 4.48Å; W3-H501 HydrophobicContact CZ3-CB 3.34Å; W3-H501 AromaticContact CZ3-CD2 3.53Å; W3-H501 AromaticContact CZ3-CE1 3.1Å; W3-H501 WeakPolarHBondContact CZ3-CE1 3.32Å; W3-H501 AromaticContact CZ3-CG 3.03Å; W3-H501 AromaticContact CZ3-ND1 2.78Å; W3-H501 WeakPolarHBondContact CZ3-ND1 3.26Å; W3-H501 AromaticContact CZ3-NE2 3.59Å; Q337-H501 PolarHBondContact N-O 2.9Å; S338-H501 PolarHBondContact O-N 3.43Å; S338-H501 PolarHBondContact OG-ND1 2.77Å; H501-H539 WeakPolarHBondContact CA-O 3.46Å
502	I	96.1	Very high	95.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	137.9	-166.3	-167.1	172.4	0	0	0	110.9	Y335 I336 V500 L504 I538 H539 I541 V562 I566	Y335-I502 CarbonylContact O-C 3.58Å; Y335-I502 WeakPolarHBondContact O-CA 3.46Å; I336-I502 HydrophobicContact CG1-CB 4.43Å; I336-I502 HydrophobicContact CG1-CD1 3.82Å; I336-I502 HydrophobicContact CG1-CG1 3.94Å; V500-I502 HydrophobicContact CG2-CB 4.11Å; V500-I502 HydrophobicContact CG2-CG2 4.14Å; I502-L504 HydrophobicContact CD1-CD1 4.09Å; I502-L504 HydrophobicContact CD1-CD2 3.82Å; I502-L504 HydrophobicContact CD1-CG 4.02Å; I502-L504 HydrophobicContact CG1-CD1 4.35Å; I502-L504 HydrophobicContact CG1-CD2 4Å; I502-L504 HydrophobicContact CG1-CG 3.9Å; I502-L504 HydrophobicContact CG2-CD1 4.01Å; I502-L504 HydrophobicContact CG2-CG 4.19Å; I502-I538 WeakPolarHBondContact O-CA 3.25Å; I502-H539 PolarHBondContact N-O 3.28Å; I502-H539 PolarHBondContact O-N 3.05Å; I502-I541 HydrophobicContact CG2-CB 4.48Å; I502-I541 HydrophobicContact CG2-CD1 3.55Å; I502-I541 HydrophobicContact CG2-CG1 3.87Å; I502-V562 HydrophobicContact CD1-CG1 3.79Å; I502-I566 HydrophobicContact CD1-CD1 3.9Å; I502-I566 HydrophobicContact CD1-CG1 3.59Å
503	K	95.5	Very high	95.3	Very high	93 Å²	93	28.8 Å²	28.8	40%	0.404	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	111.9	176.5	-177.1	177.7	178.1	-173.4	0	109.4	Y335 G537 I538	Y335-K503 PolarHBondContact O-N 3.28Å; K503-G537 WeakPolarHBondContact CA-O 3.45Å; K503-I538 HydrophobicContact CB-CG1 4.04Å; K503-I538 HydrophobicContact CG-CG1 4.14Å
504	L	94.8	Very high	95.1	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.207	C	C	.	.			trans	-134.6	68.8	-178.5	-60.7	175.5	0	0	0	110.3	Y335 I502 L506 M507 S508 G537 I541 L565 E569	Y335-L504 HydrophobicContact CD1-CD2 4.24Å; I502-L504 HydrophobicContact CD1-CD1 4.09Å; I502-L504 HydrophobicContact CD1-CD2 3.82Å; I502-L504 HydrophobicContact CD1-CG 4.02Å; I502-L504 HydrophobicContact CG1-CD1 4.35Å; I502-L504 HydrophobicContact CG1-CD2 4Å; I502-L504 HydrophobicContact CG1-CG 3.9Å; I502-L504 HydrophobicContact CG2-CD1 4.01Å; I502-L504 HydrophobicContact CG2-CG 4.19Å; L504-L506 VanDerWaalsContact C-N 3.31Å; L504-L506 PolarHBondContact O-N 3.05Å; L504-M507 HydrophobicContact CB-CB 4.11Å; L504-S508 WeakPolarHBondContact O-CB 3.36Å; L504-S508 PolarHBondContact O-N 3.44Å; L504-S508 PolarHBondContact O-OG 3.43Å; L504-G537 PolarHBondContact N-O 2.83Å; L504-I541 HydrophobicContact CD1-CD1 4.2Å; L504-L565 HydrophobicContact CD1-CB 3.87Å; L504-L565 HydrophobicContact CD1-CD1 4.25Å; L504-E569 WeakPolarHBondContact CA-OE2 3.37Å; L504-E569 HydrophobicContact CD2-CB 3.79Å; L504-E569 HydrophobicContact CD2-CG 3.88Å
505	P	93.2	Very high	95	Very high	57 Å²	57	41.5 Å²	41.5	37%	0.37	23%	0.231	S	C	.	.	H	α-helix	trans	-60.9	-34.2	-171.2	24.7	-35.6	0	0	0	113.9	A509 E569	P505-A509 WeakPolarHBondContact O-CB 3.32Å; P505-E569 WeakPolarHBondContact CD-OE1 3.3Å; P505-E569 WeakPolarHBondContact CG-OE1 3.42Å
506	L	94.5	Very high	95	Very high	35 Å²	35	42.4 Å²	42.4	18%	0.183	24%	0.236	C	C	.	.	H	α-helix	trans	-82.5	-45.4	-178.5	-57.9	179.6	0	0	0	111.4	L504 A509 E569 M572 E573 F576	L504-L506 VanDerWaalsContact C-N 3.31Å; L504-L506 PolarHBondContact O-N 3.05Å; L506-A509 PolarHBondContact O-N 3.42Å; L506-E569 WeakPolarHBondContact CB-OE1 3.13Å; L506-E569 WeakPolarHBondContact CG-OE1 3.09Å; L506-E569 PolarHBondContact N-OE1 2.86Å; L506-E569 PolarHBondContact N-OE2 3.18Å; L506-M572 HydrophobicContact CB-CB 4Å; L506-M572 HydrophobicContact CB-CE 3.89Å; L506-M572 HydrophobicContact CB-SD 4.12Å; L506-M572 HydrophobicContact CD1-CB 3.69Å; L506-E573 HydrophobicContact CD1-CB 4.35Å; L506-E573 HydrophobicContact CD1-CG 3.73Å; L506-F576 HydrophobicContact CD2-CD2 3.91Å; L506-F576 HydrophobicContact CD2-CE2 4.02Å
507	M	93.6	Very high	94.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.6	-40.7	-179.4	-167.8	60.5	-120.7	0	0	111.1	L504 A509 R510 F513 I516 L565 M568 E569 M572	L504-M507 HydrophobicContact CB-CB 4.11Å; M507-A509 VanDerWaalsContact C-N 3.29Å; M507-A509 PolarHBondContact O-N 2.85Å; M507-R510 HydrophobicContact CE-CB 4.35Å; M507-R510 VanDerWaalsContact CE-CD 3.44Å; M507-R510 HydrophobicContact CE-CG 4.38Å; M507-R510 WeakPolarHBondContact O-CB 3.45Å; M507-R510 PolarHBondContact O-N 3.43Å; M507-F513 HydrophobicContact CE-CD2 4.03Å; M507-F513 HydrophobicContact CG-CD2 3.86Å; M507-F513 HydrophobicContact CG-CE2 4.02Å; M507-F513 WeakPolarHBondContact O-CB 3.47Å; M507-F513 WeakPolarHBondContact O-CD2 3.36Å; M507-I516 HydrophobicContact CE-CD1 3.37Å; M507-L565 HydrophobicContact CG-CD2 4.04Å; M507-M568 HydrophobicContact SD-CB 3.93Å; M507-M568 HydrophobicContact SD-SD 4.12Å; M507-E569 WeakPolarHBondContact CB-OE2 3.34Å; M507-E569 PolarHBondContact N-OE2 2.97Å; M507-M572 HydrophobicContact SD-SD 4.25Å
508	S	92.2	Very high	94.8	Very high	27 Å²	27	45.7 Å²	45.7	19%	0.189	26%	0.261	C	S	.	.	H	α-helix	trans	-69.4	-23.3	177.9	63.3	0	0	0	0	114.2	L504 R510 H539	L504-S508 WeakPolarHBondContact O-CB 3.36Å; L504-S508 PolarHBondContact O-N 3.44Å; L504-S508 PolarHBondContact O-OG 3.43Å; S508-R510 PolarHBondContact O-N 3.12Å; S508-H539 WeakPolarHBondContact CB-NE2 3.27Å
509	A	91.8	Very high	94.7	Very high	83 Å²	83	52.7 Å²	52.7	69%	0.686	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.2	176.6	0	0	0	0	0	113.3	P505 L506 M507	P505-A509 WeakPolarHBondContact O-CB 3.32Å; L506-A509 PolarHBondContact O-N 3.42Å; M507-A509 VanDerWaalsContact C-N 3.29Å; M507-A509 PolarHBondContact O-N 2.85Å
510	R	92.5	Very high	94.7	Very high	96 Å²	96	55 Å²	55	36%	0.362	30%	0.302	S	S	.	.	S	Bend	trans	-75.4	139.7	179.4	-67.7	174.7	51	156.6	5.2	111.9	M507 S508 D512 F513 M572	M507-R510 HydrophobicContact CE-CB 4.35Å; M507-R510 VanDerWaalsContact CE-CD 3.44Å; M507-R510 HydrophobicContact CE-CG 4.38Å; M507-R510 WeakPolarHBondContact O-CB 3.45Å; M507-R510 PolarHBondContact O-N 3.43Å; S508-R510 PolarHBondContact O-N 3.12Å; R510-D512 VanDerWaalsContact CB-OD1 3.26Å; R510-D512 WeakPolarHBondContact CB-OD1 3.38Å; R510-D512 IonicContact CZ-OD1 2.72Å; R510-D512 IonicContact CZ-OD2 3.59Å; R510-D512 IonicContact NE-OD1 2.67Å; R510-D512 PolarHBondContact NE-OD1 3Å; R510-D512 IonicContact NE-OD2 3.41Å; R510-D512 IonicContact NH2-OD1 2.71Å; R510-D512 PolarHBondContact NH2-OD1 3.22Å; R510-D512 IonicContact NH2-OD2 2.78Å; R510-D512 PolarHBondContact NH2-OD2 3.06Å; R510-D512 PolarHBondContact O-N 2.88Å; R510-F513 WeakPolarHBondContact O-CB 3.44Å; R510-F513 PolarHBondContact O-N 3.45Å; R510-M572 HydrophobicContact CG-CE 4.1Å
511	A	91.7	Very high	94.7	Very high	118 Å²	118	57.6 Å²	57.6	98%	0.975	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.6	177.2	0	0	0	0	0	113.4
512	D	94.6	Very high	94.8	Very high	56 Å²	56	57.4 Å²	57.4	30%	0.299	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	5.1	-179.1	65.3	-17.6	0	0	0	114	R510 K514 E515 I516	R510-D512 VanDerWaalsContact CB-OD1 3.26Å; R510-D512 WeakPolarHBondContact CB-OD1 3.38Å; R510-D512 IonicContact CZ-OD1 2.72Å; R510-D512 IonicContact CZ-OD2 3.59Å; R510-D512 IonicContact NE-OD1 2.67Å; R510-D512 PolarHBondContact NE-OD1 3Å; R510-D512 IonicContact NE-OD2 3.41Å; R510-D512 IonicContact NH2-OD1 2.71Å; R510-D512 PolarHBondContact NH2-OD1 3.22Å; R510-D512 IonicContact NH2-OD2 2.78Å; R510-D512 PolarHBondContact NH2-OD2 3.06Å; R510-D512 PolarHBondContact O-N 2.88Å; D512-K514 PolarHBondContact O-N 3.04Å; D512-E515 WeakPolarHBondContact O-CA 3.27Å; D512-E515 WeakPolarHBondContact O-CB 3.34Å; D512-E515 PolarHBondContact O-N 3.16Å; D512-I516 HydrophobicContact CB-CD1 4.47Å; D512-I516 WeakPolarHBondContact O-CG1 3.45Å; D512-I516 PolarHBondContact O-N 2.89Å
513	F	94.3	Very high	94.7	Very high	7 Å²	7	60.5 Å²	60.5	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-53.7	-48.7	-176.2	174.4	-125.4	0	0	0	113.7	M507 R510 E515 I516 C517 V524 I541 L565	M507-F513 HydrophobicContact CE-CD2 4.03Å; M507-F513 HydrophobicContact CG-CD2 3.86Å; M507-F513 HydrophobicContact CG-CE2 4.02Å; M507-F513 WeakPolarHBondContact O-CB 3.47Å; M507-F513 WeakPolarHBondContact O-CD2 3.36Å; R510-F513 WeakPolarHBondContact O-CB 3.44Å; R510-F513 PolarHBondContact O-N 3.45Å; F513-E515 VanDerWaalsContact C-N 3.3Å; F513-E515 PolarHBondContact O-N 3.39Å; F513-I516 PolarHBondContact O-N 3.17Å; F513-C517 VanDerWaalsContact CE2-SG 3.56Å; F513-C517 PolarHBondContact O-N 3.35Å; F513-C517 PolarHBondContact O-SG 2.82Å; F513-V524 HydrophobicContact CE1-CG1 3.79Å; F513-V524 HydrophobicContact CE1-CG2 4.12Å; F513-V524 HydrophobicContact CZ-CG1 4.41Å; F513-V524 HydrophobicContact CZ-CG2 4.25Å; F513-I541 HydrophobicContact CZ-CD1 4.09Å; F513-L565 HydrophobicContact CE2-CD2 4.17Å
514	K	93.3	Very high	94.5	Very high	157 Å²	157	57.4 Å²	57.4	68%	0.683	32%	0.318	S	S	*	.	H	α-helix	trans	-66	-33.2	178.4	-68.9	-175.9	179.3	179.3	0	112.2	D512 S518	D512-K514 PolarHBondContact O-N 3.04Å; K514-S518 WeakPolarHBondContact O-CB 3.47Å; K514-S518 PolarHBondContact O-N 2.59Å
515	E	95.6	Very high	94.1	Very high	109 Å²	109	58.2 Å²	58.2	51%	0.509	32%	0.321	S	S	.	.	H	α-helix	trans	-70.1	-43.3	177.1	-171.5	-173.5	152.5	0	0	111	D512 F513 S518 K519	D512-E515 WeakPolarHBondContact O-CA 3.27Å; D512-E515 WeakPolarHBondContact O-CB 3.34Å; D512-E515 PolarHBondContact O-N 3.16Å; F513-E515 VanDerWaalsContact C-N 3.3Å; F513-E515 PolarHBondContact O-N 3.39Å; E515-S518 PolarHBondContact O-N 3.45Å; E515-K519 WeakPolarHBondContact O-CG 3.5Å; E515-K519 PolarHBondContact O-N 2.97Å; E515-K519 WeakPolarHBondContact OE1-CE 3.12Å; E515-K519 IonicContact OE1-NZ 2.75Å; E515-K519 PolarHBondContact OE1-NZ 3.41Å
516	I	96.7	Very high	93.3	Very high	25 Å²	25	55.8 Å²	55.8	13%	0.128	31%	0.307	C	S	.	.	H	α-helix	trans	-58.1	-50.5	174	-69.3	166.3	0	0	0	110.1	M507 D512 F513 S518 K519 M520 L565 M568	M507-I516 HydrophobicContact CE-CD1 3.37Å; D512-I516 HydrophobicContact CB-CD1 4.47Å; D512-I516 WeakPolarHBondContact O-CG1 3.45Å; D512-I516 PolarHBondContact O-N 2.89Å; F513-I516 PolarHBondContact O-N 3.17Å; I516-S518 VanDerWaalsContact C-N 3.34Å; I516-S518 PolarHBondContact O-N 2.87Å; I516-K519 PolarHBondContact O-N 2.75Å; I516-M520 WeakPolarHBondContact O-CG 3.43Å; I516-M520 PolarHBondContact O-N 2.97Å; I516-L565 HydrophobicContact CG2-CD2 4.34Å; I516-M568 HydrophobicContact CG2-SD 4.4Å
517	C	97.2	Very high	91.8	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-57.9	-45.8	176.7	-68.5	0	0	0	0	111.7	F513 K519 M520 N521 L522 V524	F513-C517 VanDerWaalsContact CE2-SG 3.56Å; F513-C517 PolarHBondContact O-N 3.35Å; F513-C517 PolarHBondContact O-SG 2.82Å; C517-K519 VanDerWaalsContact C-N 3.33Å; C517-K519 PolarHBondContact O-N 3.48Å; C517-M520 CarbonylContact O-C 3.48Å; C517-M520 WeakPolarHBondContact O-CA 3.28Å; C517-M520 PolarHBondContact O-N 2.87Å; C517-N521 PolarHBondContact O-N 3.4Å; C517-L522 CarbonylContact C-O 3.56Å; C517-L522 HydrophobicContact CB-CB 3.99Å; C517-L522 WeakPolarHBondContact O-CA 3.47Å; C517-L522 WeakPolarHBondContact O-CB 3.37Å; C517-L522 PolarHBondContact O-N 2.9Å; C517-V524 HydrophobicContact CB-CG2 3.58Å; C517-V524 WeakPolarHBondContact SG-CG2 3.38Å
518	S	95.2	Very high	90.3	Very high	80 Å²	80	57.9 Å²	57.9	56%	0.559	32%	0.315	S	S	*	.	H	α-helix	trans	-61.9	-37.9	179	-172.1	0	0	0	0	112.8	K514 E515 I516 M520 N521	K514-S518 WeakPolarHBondContact O-CB 3.47Å; K514-S518 PolarHBondContact O-N 2.59Å; E515-S518 PolarHBondContact O-N 3.45Å; I516-S518 VanDerWaalsContact C-N 3.34Å; I516-S518 PolarHBondContact O-N 2.87Å; S518-M520 PolarHBondContact O-N 3.28Å; S518-N521 PolarHBondContact O-N 2.91Å; S518-N521 VanDerWaalsContact O-N 3.12Å
519	K	96.7	Very high	88.6	Confident	147 Å²	147	57.2 Å²	57.2	64%	0.639	31%	0.313	S	S	*	.	H	α-helix	trans	-64.9	-25.8	175.6	-74.5	173	-176.8	166	0	112.5	E515 I516 C517 N521	E515-K519 WeakPolarHBondContact O-CG 3.5Å; E515-K519 PolarHBondContact O-N 2.97Å; E515-K519 WeakPolarHBondContact OE1-CE 3.12Å; E515-K519 IonicContact OE1-NZ 2.75Å; E515-K519 PolarHBondContact OE1-NZ 3.41Å; I516-K519 PolarHBondContact O-N 2.75Å; C517-K519 VanDerWaalsContact C-N 3.33Å; C517-K519 PolarHBondContact O-N 3.48Å; K519-N521 VanDerWaalsContact C-N 3.34Å
520	M	97	Very high	86.7	Confident	54 Å²	54	57.6 Å²	57.6	27%	0.266	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	14.3	175.3	-58.7	-170.6	83.7	0	0	113.1	I516 C517 S518 L522 E564	I516-M520 WeakPolarHBondContact O-CG 3.43Å; I516-M520 PolarHBondContact O-N 2.97Å; C517-M520 CarbonylContact O-C 3.48Å; C517-M520 WeakPolarHBondContact O-CA 3.28Å; C517-M520 PolarHBondContact O-N 2.87Å; S518-M520 PolarHBondContact O-N 3.28Å; M520-L522 HydrophobicContact CB-CD1 4.17Å; M520-L522 HydrophobicContact CB-CG 4.05Å; M520-L522 PolarHBondContact O-N 3.46Å; M520-E564 HydrophobicContact CE-CB 3.56Å; M520-E564 HydrophobicContact CE-CG 3.97Å; M520-E564 HydrophobicContact SD-CB 4.21Å; M520-E564 HydrophobicContact SD-CG 4.37Å
521	N	96.8	Very high	84.6	Confident	53 Å²	53	61.5 Å²	61.5	28%	0.283	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	33.8	-175.3	-57.9	-44.2	0	0	0	113.8	C517 S518 K519 S544 R545 E557	C517-N521 PolarHBondContact O-N 3.4Å; S518-N521 PolarHBondContact O-N 2.91Å; S518-N521 VanDerWaalsContact O-N 3.12Å; K519-N521 VanDerWaalsContact C-N 3.34Å; N521-S544 VanDerWaalsContact C-OG 3.25Å; N521-S544 WeakPolarHBondContact CA-OG 3.3Å; N521-S544 WeakPolarHBondContact O-CB 3.18Å; N521-S544 PolarHBondContact O-N 3.07Å; N521-S544 PolarHBondContact O-OG 3.36Å; N521-R545 HydrophobicContact CB-CG 4.15Å; N521-R545 PolarHBondContact ND2-NE 2.97Å; N521-E557 VanDerWaalsContact CB-OE2 3.23Å; N521-E557 WeakPolarHBondContact CB-OE2 3.5Å; N521-E557 PolarHBondContact ND2-OE2 3.41Å
522	L	97.6	Very high	82.9	Confident	7 Å²	7	57.3 Å²	57.3	4%	0.037	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.1	175.3	-53.9	176	0	0	0	111	C517 M520 I541 S542 L565	C517-L522 CarbonylContact C-O 3.56Å; C517-L522 HydrophobicContact CB-CB 3.99Å; C517-L522 WeakPolarHBondContact O-CA 3.47Å; C517-L522 WeakPolarHBondContact O-CB 3.37Å; C517-L522 PolarHBondContact O-N 2.9Å; M520-L522 HydrophobicContact CB-CD1 4.17Å; M520-L522 HydrophobicContact CB-CG 4.05Å; M520-L522 PolarHBondContact O-N 3.46Å; L522-I541 HydrophobicContact CB-CG2 4.03Å; L522-I541 HydrophobicContact CD1-CG2 3.81Å; L522-I541 HydrophobicContact CD2-CG2 4.32Å; L522-I541 HydrophobicContact CG-CG2 4.28Å; L522-S542 CarbonylContact C-O 3.46Å; L522-S542 WeakPolarHBondContact CA-O 3.28Å; L522-L565 HydrophobicContact CD1-CD1 3.9Å
523	Q	93.9	Very high	81.4	Confident	65 Å²	65	62.6 Å²	62.6	30%	0.304	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.3	168.8	-173.2	179.5	39	0	0	109.4	R525 S542	Q523-R525 HydrophobicContact CG-CG 4.47Å; Q523-R525 VanDerWaalsContact OE1-NE 3.16Å; Q523-S542 PolarHBondContact N-O 3.25Å; Q523-S542 PolarHBondContact O-N 2.97Å
524	V	92.5	Very high	80	Confident	28 Å²	28	64.8 Å²	64.8	17%	0.17	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131	176.8	-177.8	0	0	0	0	109.9	F513 C517 H539	F513-V524 HydrophobicContact CE1-CG1 3.79Å; F513-V524 HydrophobicContact CE1-CG2 4.12Å; F513-V524 HydrophobicContact CZ-CG1 4.41Å; F513-V524 HydrophobicContact CZ-CG2 4.25Å; C517-V524 HydrophobicContact CB-CG2 3.58Å; C517-V524 WeakPolarHBondContact SG-CG2 3.38Å; V524-H539 HydrophobicContact CG1-CB 4.14Å; V524-H539 WeakPolarHBondContact CG1-ND1 3.35Å
525	R	85.6	Confident	78.6	Confident	19 Å²	19	62.3 Å²	62.3	7%	0.072	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	157.7	171.9	-55.6	-179.5	-172	-149.9	-9.4	109.7	Q523 E530 D540	Q523-R525 HydrophobicContact CG-CG 4.47Å; Q523-R525 VanDerWaalsContact OE1-NE 3.16Å; R525-E530 IonicContact CZ-OE1 3.56Å; R525-E530 IonicContact NH1-OE1 3.47Å; R525-E530 PolarHBondContact NH1-OE1 3.3Å; R525-E530 IonicContact NH2-OE1 3.4Å; R525-E530 PolarHBondContact NH2-OE1 2.95Å; R525-D540 HydrophobicContact CB-CB 4.17Å; R525-D540 PolarHBondContact N-O 3.49Å; R525-D540 PolarHBondContact O-N 3.33Å
526	G	76.3	Confident	77.6	Confident	6 Å²	6	60.1 Å²	60.1	6%	0.062	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-71.2	176.7	167	0	0	0	0	0	111.1	H528 G529 S532	G526-H528 PolarHBondContact O-N 3.44Å; G526-G529 PolarHBondContact N-O 2.8Å; G526-G529 PolarHBondContact O-N 2.98Å; G526-S532 WeakPolarHBondContact CA-O 3.41Å; G526-S532 WeakPolarHBondContact CA-OG 3.43Å; G526-S532 PolarHBondContact O-OG 3.28Å
527	I	63.1	Low	76.8	Confident	18 Å²	18	59.6 Å²	59.6	9%	0.092	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-29.4	-172.6	-53	177.4	0	0	0	112.1	W3 S532 E535 I538	W3-I527 HydrophobicContact CB-CG2 4.14Å; W3-I527 HydrophobicContact CD2-CG2 4.26Å; W3-I527 HydrophobicContact CE3-CG2 3.67Å; W3-I527 HydrophobicContact CG-CG2 4.42Å; W3-I527 HydrophobicContact CZ3-CG2 4.21Å; I527-S532 PolarHBondContact N-OG 2.94Å; I527-E535 HydrophobicContact CD1-CB 3.76Å; I527-E535 HydrophobicContact CD1-CG 4.41Å; I527-I538 HydrophobicContact CD1-CB 3.8Å; I527-I538 HydrophobicContact CD1-CD1 4.33Å; I527-I538 HydrophobicContact CD1-CG2 4.02Å; I527-I538 HydrophobicContact CG1-CB 4.14Å; I527-I538 HydrophobicContact CG1-CG2 4.04Å
528	H	60.8	Low	76.5	Confident	60 Å²	60	60.8 Å²	60.8	28%	0.278	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	11.5	-176.8	-54.9	92.1	0	0	0	113.5	S10 G526 S532 E535	S10-H528 PolarHBondContact OG-CD2 3.43Å; G526-H528 PolarHBondContact O-N 3.44Å; H528-S532 VanDerWaalsContact C-OG 3.3Å; H528-S532 WeakPolarHBondContact CA-OG 3.4Å; H528-S532 PolarHBondContact N-OG 2.82Å; H528-E535 IonicContact CE1-OE1 3.45Å
529	G	56.6	Low	76.3	Confident	14 Å²	14	57.6 Å²	57.6	14%	0.144	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	112.9	-162.1	175.3	0	0	0	0	0	115.7	G526 H531 S532	G526-G529 PolarHBondContact N-O 2.8Å; G526-G529 PolarHBondContact O-N 2.98Å; G529-H531 PolarHBondContact O-N 2.97Å; G529-S532 PolarHBondContact N-OG 3.39Å; G529-S532 PolarHBondContact O-N 3.38Å; G529-S532 VanDerWaalsContact O-N 3.14Å; G529-S532 PolarHBondContact O-OG 2.68Å
530	E	53.2	Low	76.2	Confident	91 Å²	91	51.3 Å²	51.3	43%	0.425	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-21.9	-164.8	-65.9	-174.7	-177.4	0	0	115.3	L8 R525	L8-E530 HydrophobicContact CD2-CB 4.49Å; L8-E530 HydrophobicContact CD2-CG 4.22Å; R525-E530 IonicContact CZ-OE1 3.56Å; R525-E530 IonicContact NH1-OE1 3.47Å; R525-E530 PolarHBondContact NH1-OE1 3.3Å; R525-E530 IonicContact NH2-OE1 3.4Å; R525-E530 PolarHBondContact NH2-OE1 2.95Å
531	H	47.7	Very low	76.2	Confident	177 Å²	177	48.7 Å²	48.7	82%	0.819	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	8.3	-176.2	-57.9	-43.9	0	0	0	113.7	G529	G529-H531 PolarHBondContact O-N 2.97Å
532	S	56.1	Low	76.2	Confident	31 Å²	31	46.2 Å²	46.2	22%	0.217	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-90.5	147	179.3	64.3	0	0	0	0	112.2	G526 I527 H528 G529	G526-S532 WeakPolarHBondContact CA-O 3.41Å; G526-S532 WeakPolarHBondContact CA-OG 3.43Å; G526-S532 PolarHBondContact O-OG 3.28Å; I527-S532 PolarHBondContact N-OG 2.94Å; H528-S532 VanDerWaalsContact C-OG 3.3Å; H528-S532 WeakPolarHBondContact CA-OG 3.4Å; H528-S532 PolarHBondContact N-OG 2.82Å; G529-S532 PolarHBondContact N-OG 3.39Å; G529-S532 PolarHBondContact O-N 3.38Å; G529-S532 VanDerWaalsContact O-N 3.14Å; G529-S532 PolarHBondContact O-OG 2.68Å
533	E	64.3	Low	76.2	Confident	167 Å²	167	45.9 Å²	45.9	78%	0.78	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-74.1	158.8	170.2	-64.1	-170.2	163.5	0	0	110.5
534	S	63.9	Low	76.2	Confident	52 Å²	52	45.3 Å²	45.3	36%	0.364	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-80.2	127.6	169.8	46.7	0	0	0	0	109.8	I538 H539	S534-I538 WeakPolarHBondContact CB-O 3.41Å; S534-H539 WeakPolarHBondContact CB-CE1 3.41Å; S534-H539 WeakPolarHBondContact CB-NE2 3.43Å; S534-H539 PolarHBondContact OG-CE1 3.41Å; S534-H539 PolarHBondContact OG-NE2 3.45Å
535	E	64.2	Low	76.4	Confident	106 Å²	106	48.7 Å²	48.7	50%	0.495	26%	0.264	S	S	.	.	S	Bend	trans	-93.2	126.9	170.1	-62.6	173.6	-167.9	0	0	108.6	I527 H528 G537 I538	I527-E535 HydrophobicContact CD1-CB 3.76Å; I527-E535 HydrophobicContact CD1-CG 4.41Å; H528-E535 IonicContact CE1-OE1 3.45Å; E535-G537 VanDerWaalsContact C-N 3.26Å; E535-G537 PolarHBondContact O-N 3.22Å; E535-G537 VanDerWaalsContact O-N 3.17Å; E535-I538 WeakPolarHBondContact O-CB 3.33Å; E535-I538 PolarHBondContact O-N 3.02Å; E535-I538 VanDerWaalsContact O-N 3.12Å
536	G	73.5	Confident	76.9	Confident	63 Å²	63	49 Å²	49	65%	0.649	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	24.6	173.3	0	0	0	0	0	116.1	I538	G536-I538 VanDerWaalsContact C-N 3.32Å
537	G	81.2	Confident	77.9	Confident	13 Å²	13	49.2 Å²	49.2	13%	0.134	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	19.5	-177.7	0	0	0	0	0	114.1	K503 L504 E535	K503-G537 WeakPolarHBondContact CA-O 3.45Å; L504-G537 PolarHBondContact N-O 2.83Å; E535-G537 VanDerWaalsContact C-N 3.26Å; E535-G537 PolarHBondContact O-N 3.22Å; E535-G537 VanDerWaalsContact O-N 3.17Å
538	I	89.5	Confident	79.5	Confident	26 Å²	26	50.1 Å²	50.1	13%	0.133	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	131.2	176.6	-57	160.6	0	0	0	109.7	I502 K503 I527 S534 E535 G536	I502-I538 WeakPolarHBondContact O-CA 3.25Å; K503-I538 HydrophobicContact CB-CG1 4.04Å; K503-I538 HydrophobicContact CG-CG1 4.14Å; I527-I538 HydrophobicContact CD1-CB 3.8Å; I527-I538 HydrophobicContact CD1-CD1 4.33Å; I527-I538 HydrophobicContact CD1-CG2 4.02Å; I527-I538 HydrophobicContact CG1-CB 4.14Å; I527-I538 HydrophobicContact CG1-CG2 4.04Å; S534-I538 WeakPolarHBondContact CB-O 3.41Å; E535-I538 WeakPolarHBondContact O-CB 3.33Å; E535-I538 PolarHBondContact O-N 3.02Å; E535-I538 VanDerWaalsContact O-N 3.12Å; G536-I538 VanDerWaalsContact C-N 3.32Å
539	H	91.8	Very high	81.3	Confident	13 Å²	13	47.6 Å²	47.6	6%	0.06	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	148	-178.5	-67.7	-88	0	0	0	111.8	H501 I502 S508 V524 S534 I541	H501-H539 WeakPolarHBondContact CA-O 3.46Å; I502-H539 PolarHBondContact N-O 3.28Å; I502-H539 PolarHBondContact O-N 3.05Å; S508-H539 WeakPolarHBondContact CB-NE2 3.27Å; V524-H539 HydrophobicContact CG1-CB 4.14Å; V524-H539 WeakPolarHBondContact CG1-ND1 3.35Å; S534-H539 WeakPolarHBondContact CB-CE1 3.41Å; S534-H539 WeakPolarHBondContact CB-NE2 3.43Å; S534-H539 PolarHBondContact OG-CE1 3.41Å; S534-H539 PolarHBondContact OG-NE2 3.45Å; H539-I541 HydrophobicContact CB-CG1 4.07Å
540	D	94.3	Very high	83.3	Confident	14 Å²	14	47.5 Å²	47.5	8%	0.075	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	110	161.5	175.5	5.3	0	0	0	107.8	R497 S499 R525	R497-D540 IonicContact CZ-OD2 2.72Å; R497-D540 IonicContact NH2-OD1 3.12Å; R497-D540 PolarHBondContact NH2-OD1 3.12Å; R497-D540 IonicContact NH2-OD2 3.23Å; R497-D540 PolarHBondContact NH2-OD2 2.81Å; S499-D540 VanDerWaalsContact CB-OD1 3.23Å; S499-D540 WeakPolarHBondContact CB-OD1 3.22Å; S499-D540 PolarHBondContact OG-OD1 3.13Å; R525-D540 HydrophobicContact CB-CB 4.17Å; R525-D540 PolarHBondContact N-O 3.49Å; R525-D540 PolarHBondContact O-N 3.33Å
541	I	96.6	Very high	85.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.4	178.1	-57.6	-170.7	0	0	0	108.2	S499 V500 I502 L504 F513 L522 H539 V562 L565	S499-I541 CarbonylContact C-O 3.58Å; S499-I541 WeakPolarHBondContact CA-O 3.47Å; S499-I541 WeakPolarHBondContact CB-O 3.47Å; V500-I541 HydrophobicContact CG2-CB 4.29Å; V500-I541 PolarHBondContact N-O 3.11Å; V500-I541 PolarHBondContact O-N 2.82Å; I502-I541 HydrophobicContact CG2-CB 4.48Å; I502-I541 HydrophobicContact CG2-CD1 3.55Å; I502-I541 HydrophobicContact CG2-CG1 3.87Å; L504-I541 HydrophobicContact CD1-CD1 4.2Å; F513-I541 HydrophobicContact CZ-CD1 4.09Å; L522-I541 HydrophobicContact CB-CG2 4.03Å; L522-I541 HydrophobicContact CD1-CG2 3.81Å; L522-I541 HydrophobicContact CD2-CG2 4.32Å; L522-I541 HydrophobicContact CG-CG2 4.28Å; H539-I541 HydrophobicContact CB-CG1 4.07Å; I541-V562 HydrophobicContact CG2-CG2 4.2Å; I541-L565 HydrophobicContact CD1-CD1 3.5Å; I541-L565 VanDerWaalsContact CD1-CD1 3.5Å; I541-L565 HydrophobicContact CG2-CD1 4.43Å
542	S	97.2	Very high	87.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	162.8	-178.6	69.2	0	0	0	0	112.9	R497 A498 L522 Q523	R497-S542 PolarHBondContact NE-OG 3.28Å; R497-S542 VanDerWaalsContact NE-OG 3.07Å; A498-S542 WeakPolarHBondContact O-CA 3.32Å; A498-S542 WeakPolarHBondContact O-CB 3.06Å; L522-S542 CarbonylContact C-O 3.46Å; L522-S542 WeakPolarHBondContact CA-O 3.28Å; Q523-S542 PolarHBondContact N-O 3.25Å; Q523-S542 PolarHBondContact O-N 2.97Å
543	N	97.6	Very high	89.8	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	139.4	166.9	63.8	-64.6	0	0	0	110.7	I496 R497 A498 R545 A554 M558	I496-N543 PolarHBondContact O-ND2 3.35Å; R497-N543 WeakPolarHBondContact CA-OD1 3.29Å; A498-N543 PolarHBondContact N-OD1 3.23Å; A498-N543 PolarHBondContact O-N 3.1Å; A498-N543 PolarHBondContact O-OD1 3.31Å; A498-N543 VanDerWaalsContact O-OD1 3.1Å; N543-R545 PolarHBondContact ND2-O 2.92Å; N543-A554 VanDerWaalsContact CB-O 3.27Å; N543-A554 WeakPolarHBondContact CB-O 3.36Å; N543-M558 HydrophobicContact CB-CB 4.2Å
544	S	95	Very high	91.5	Very high	53 Å²	53	29.6 Å²	29.6	37%	0.371	18%	0.177	S	C	.	.			trans	-89.8	-41.5	174.8	68.9	0	0	0	0	111.6	N521	N521-S544 VanDerWaalsContact C-OG 3.25Å; N521-S544 WeakPolarHBondContact CA-OG 3.3Å; N521-S544 WeakPolarHBondContact O-CB 3.18Å; N521-S544 PolarHBondContact O-N 3.07Å; N521-S544 PolarHBondContact O-OG 3.36Å
545	R	95.9	Very high	93.1	Very high	98 Å²	98	27.1 Å²	27.1	37%	0.37	16%	0.16	S	C	.	.			trans	-76.5	142.7	-177.2	-61	-163.1	-59.2	159.3	-14.6	111.8	N521 N543 I549 E557	N521-R545 HydrophobicContact CB-CG 4.15Å; N521-R545 PolarHBondContact ND2-NE 2.97Å; N543-R545 PolarHBondContact ND2-O 2.92Å; R545-I549 HydrophobicContact CB-CD1 3.78Å; R545-E557 IonicContact CZ-OE1 3.15Å; R545-E557 VanDerWaalsContact CZ-OE1 3.25Å; R545-E557 IonicContact CZ-OE2 2.59Å; R545-E557 IonicContact NE-OE1 2.74Å; R545-E557 PolarHBondContact NE-OE1 2.83Å; R545-E557 IonicContact NE-OE2 3.59Å; R545-E557 PolarHBondContact NE-OE2 3.06Å; R545-E557 VanDerWaalsContact NH2-CD 3.25Å; R545-E557 IonicContact NH2-OE1 3.33Å; R545-E557 PolarHBondContact NH2-OE1 2.94Å; R545-E557 IonicContact NH2-OE2 3.39Å; R545-E557 PolarHBondContact NH2-OE2 3.07Å
546	R	95.8	Very high	94.7	Very high	26 Å²	26	24.1 Å²	24.1	10%	0.098	15%	0.145	C	C	.	.			trans	-134.6	-25.3	177.1	-55	-168.1	-167.7	-176.6	17.2	113.7	N491 L492 G493 T494	N491-R546 PolarHBondContact OD1-NH1 2.99Å; L492-R546 WeakPolarHBondContact O-CB 3.31Å; G493-R546 CarbonylContact C-O 3.54Å; G493-R546 WeakPolarHBondContact CA-O 3.41Å; T494-R546 WeakPolarHBondContact CG2-O 3.14Å; T494-R546 PolarHBondContact N-O 2.59Å; T494-R546 PolarHBondContact OG1-O 3.37Å
547	M	97.5	Very high	95.9	Very high	10 Å²	10	22.5 Å²	22.5	5%	0.049	12%	0.121	C	C	.	.	S	Bend	trans	-109.2	155.3	176.9	-60.8	-169.5	75.7	0	0	111	I301 H305 F307 L482 L492 I549	I301-M547 HydrophobicContact CG2-CE 4.22Å; I301-M547 HydrophobicContact CG2-SD 3.78Å; H305-M547 HydrophobicContact CB-CB 4.29Å; H305-M547 HydrophobicContact CB-CG 4.31Å; H305-M547 HydrophobicContact CB-SD 4.01Å; H305-M547 VanDerWaalsContact CD2-SD 3.52Å; F307-M547 HydrophobicContact CB-CB 4.24Å; F307-M547 HydrophobicContact CB-CE 4.49Å; F307-M547 HydrophobicContact CB-SD 4.24Å; F307-M547 HydrophobicContact CD1-CE 3.47Å; F307-M547 VanDerWaalsContact CD1-CE 3.47Å; F307-M547 HydrophobicContact CD1-SD 4.27Å; F307-M547 HydrophobicContact CD2-CB 3.73Å; F307-M547 HydrophobicContact CD2-CE 4.27Å; F307-M547 HydrophobicContact CE1-CE 3.59Å; F307-M547 HydrophobicContact CE2-CB 4.26Å; F307-M547 HydrophobicContact CE2-CE 4.36Å; F307-M547 HydrophobicContact CG-CB 4.03Å; F307-M547 HydrophobicContact CG-CE 3.82Å; F307-M547 HydrophobicContact CG-SD 4.18Å; F307-M547 HydrophobicContact CZ-CE 4.03Å; L482-M547 HydrophobicContact CB-CE 4.32Å; L482-M547 HydrophobicContact CD2-CE 3.88Å; L492-M547 HydrophobicContact CB-CE 4.27Å; L492-M547 HydrophobicContact CB-CG 4.39Å; L492-M547 HydrophobicContact CB-SD 3.85Å; M547-I549 VanDerWaalsContact C-N 3.26Å; M547-I549 PolarHBondContact O-N 3.38Å
548	G	97.4	Very high	96.7	Very high	38 Å²	38	21.9 Å²	21.9	39%	0.392	11%	0.114	S	C	.	.	S	Bend	trans	75.8	8.6	179.2	0	0	0	0	0	115.1
549	I	97.9	Very high	97.1	Very high	6 Å²	6	21.8 Å²	21.8	3%	0.031	11%	0.112	C	C	.	.	S	Bend	trans	-139.9	156.6	177.9	60.7	177	0	0	0	109.8	Q313 T494 R545 M547 E553 A554	Q313-I549 PolarHBondContact NE2-O 2.86Å; T494-I549 HydrophobicContact CG2-CG1 4.38Å; T494-I549 WeakPolarHBondContact CG2-O 3.49Å; R545-I549 HydrophobicContact CB-CD1 3.78Å; M547-I549 VanDerWaalsContact C-N 3.26Å; M547-I549 PolarHBondContact O-N 3.38Å; I549-E553 WeakPolarHBondContact CA-OE2 3.35Å; I549-E553 HydrophobicContact CB-CB 3.99Å; I549-A554 HydrophobicContact CD1-CB 3.76Å; I549-A554 HydrophobicContact CG1-CB 4.4Å
550	T	98.2	Very high	97.4	Very high	13 Å²	13	24.4 Å²	24.4	8%	0.08	13%	0.127	C	C	.	.			trans	-70.5	162.5	171.4	59.9	0	0	0	0	111.5	P314 D317 T494 F552 E553 A554	P314-T550 HydrophobicContact CB-CG2 3.74Å; P314-T550 HydrophobicContact CG-CG2 4.39Å; D317-T550 HydrophobicContact CB-CG2 3.97Å; T494-T550 VanDerWaalsContact CG2-C 3.46Å; T494-T550 WeakPolarHBondContact CG2-O 3.29Å; T550-F552 VanDerWaalsContact C-N 3.27Å; T550-F552 PolarHBondContact O-N 2.87Å; T550-E553 PolarHBondContact N-OE2 3.08Å; T550-E553 PolarHBondContact O-N 2.75Å; T550-E553 VanDerWaalsContact OG1-CB 3.31Å; T550-E553 WeakPolarHBondContact OG1-CB 3.48Å; T550-E553 VanDerWaalsContact OG1-CD 3.24Å; T550-E553 WeakPolarHBondContact OG1-CG 3.31Å; T550-E553 PolarHBondContact OG1-N 2.81Å; T550-E553 VanDerWaalsContact OG1-N 3.1Å; T550-E553 PolarHBondContact OG1-OE2 3.36Å; T550-A554 PolarHBondContact O-N 3.09Å
551	E	98.3	Very high	97.6	Very high	3 Å²	3	23.9 Å²	23.9	1%	0.014	13%	0.125	C	C	.	.	H	α-helix	trans	-60.8	-38.9	174.9	-67.4	69.8	-167.6	0	0	111.5	F316 D317 L318 W484 T494 I496 A554 V555	F316-E551 VanDerWaalsContact CD2-CD 3.4Å; F316-E551 HydrophobicContact CD2-CG 4.13Å; F316-E551 WeakPolarHBondContact CD2-OE1 3.49Å; F316-E551 WeakPolarHBondContact CD2-OE2 3.24Å; F316-E551 HydrophobicContact CE2-CG 4.06Å; D317-E551 PolarHBondContact N-OE2 3.11Å; D317-E551 WeakPolarHBondContact O-CB 3.21Å; D317-E551 PolarHBondContact O-N 2.94Å; L318-E551 HydrophobicContact CD2-CB 3.36Å; L318-E551 HydrophobicContact CD2-CG 4.01Å; L318-E551 HydrophobicContact CG-CB 3.84Å; L318-E551 HydrophobicContact CG-CG 4.28Å; W484-E551 PolarHBondContact NE1-OE1 2.92Å; T494-E551 HydrophobicContact CG2-CB 4.48Å; T494-E551 HydrophobicContact CG2-CG 4.13Å; I496-E551 HydrophobicContact CG1-CB 3.93Å; I496-E551 HydrophobicContact CG1-CG 3.85Å; E551-A554 PolarHBondContact O-N 3Å; E551-V555 WeakPolarHBondContact O-CG2 3.5Å; E551-V555 PolarHBondContact O-N 3.39Å
552	F	98.4	Very high	97.7	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.018	13%	0.125	C	C	.	.	H	α-helix	trans	-62.7	-47.4	174.7	-177.1	-105.4	0	0	0	112	D317 L318 R322 Q325 L326 L460 T550 A554 V555 K556	D317-F552 PolarHBondContact O-N 3.01Å; L318-F552 WeakPolarHBondContact O-CD2 3.36Å; R322-F552 HydrophobicContact CB-CE1 4.05Å; R322-F552 HydrophobicContact CB-CE2 4.1Å; R322-F552 HydrophobicContact CB-CZ 3.68Å; R322-F552 WeakPolarHBondContact O-CZ 3.37Å; Q325-F552 HydrophobicContact CB-CZ 4.31Å; L326-F552 HydrophobicContact CD1-CE2 3.94Å; L326-F552 HydrophobicContact CG-CE2 4.21Å; L460-F552 HydrophobicContact CD2-CD2 4.16Å; T550-F552 VanDerWaalsContact C-N 3.27Å; T550-F552 PolarHBondContact O-N 2.87Å; F552-A554 VanDerWaalsContact C-N 3.28Å; F552-A554 PolarHBondContact O-N 2.8Å; F552-V555 PolarHBondContact O-N 2.87Å; F552-V555 VanDerWaalsContact O-N 3.11Å; F552-K556 HydrophobicContact CE1-CB 4.4Å; F552-K556 HydrophobicContact CZ-CD 4.43Å; F552-K556 WeakPolarHBondContact O-CB 3.24Å; F552-K556 PolarHBondContact O-N 3.13Å
553	E	98.2	Very high	97.7	Very high	82 Å²	82	26.4 Å²	26.4	38%	0.383	14%	0.142	S	C	.	.	H	α-helix	trans	-60.1	-38.4	177.5	-76	165.1	150	0	0	111.9	I549 T550 V555 K556 E557	I549-E553 WeakPolarHBondContact CA-OE2 3.35Å; I549-E553 HydrophobicContact CB-CB 3.99Å; T550-E553 PolarHBondContact N-OE2 3.08Å; T550-E553 PolarHBondContact O-N 2.75Å; T550-E553 VanDerWaalsContact OG1-CB 3.31Å; T550-E553 WeakPolarHBondContact OG1-CB 3.48Å; T550-E553 VanDerWaalsContact OG1-CD 3.24Å; T550-E553 WeakPolarHBondContact OG1-CG 3.31Å; T550-E553 PolarHBondContact OG1-N 2.81Å; T550-E553 VanDerWaalsContact OG1-N 3.1Å; T550-E553 PolarHBondContact OG1-OE2 3.36Å; E553-V555 VanDerWaalsContact C-N 3.32Å; E553-V555 PolarHBondContact O-N 3.39Å; E553-K556 PolarHBondContact O-N 3.37Å; E553-E557 WeakPolarHBondContact O-CB 3.38Å; E553-E557 WeakPolarHBondContact O-CG 3.33Å; E553-E557 PolarHBondContact O-N 3.04Å
554	A	98.2	Very high	97.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.6	-41.1	174.9	0	0	0	0	0	112.2	T494 I496 N543 I549 T550 E551 F552	T494-A554 HydrophobicContact CG2-CB 4.44Å; I496-A554 HydrophobicContact CB-CB 4.34Å; I496-A554 HydrophobicContact CG2-CB 4.17Å; N543-A554 VanDerWaalsContact CB-O 3.27Å; N543-A554 WeakPolarHBondContact CB-O 3.36Å; I549-A554 HydrophobicContact CD1-CB 3.76Å; I549-A554 HydrophobicContact CG1-CB 4.4Å; T550-A554 PolarHBondContact O-N 3.09Å; E551-A554 PolarHBondContact O-N 3Å; F552-A554 VanDerWaalsContact C-N 3.28Å; F552-A554 PolarHBondContact O-N 2.8Å
555	V	98.5	Very high	97.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-70	-41.8	174.3	-179.9	0	0	0	0	110.8	L326 I341 V456 L460 I496 A498 E551 F552 E553 M558 Y559	L326-V555 HydrophobicContact CD1-CG1 4.25Å; I341-V555 HydrophobicContact CD1-CG1 3.88Å; I341-V555 HydrophobicContact CD1-CG2 4.22Å; I341-V555 HydrophobicContact CG2-CG2 4.25Å; V456-V555 HydrophobicContact CG1-CG1 3.69Å; L460-V555 HydrophobicContact CD1-CG2 4.04Å; L460-V555 HydrophobicContact CD2-CB 4.37Å; L460-V555 HydrophobicContact CD2-CG1 4.14Å; L460-V555 HydrophobicContact CD2-CG2 4.32Å; I496-V555 HydrophobicContact CG2-CG2 3.97Å; A498-V555 HydrophobicContact CB-CB 4.33Å; A498-V555 HydrophobicContact CB-CG1 4.31Å; A498-V555 HydrophobicContact CB-CG2 4.05Å; E551-V555 WeakPolarHBondContact O-CG2 3.5Å; E551-V555 PolarHBondContact O-N 3.39Å; F552-V555 PolarHBondContact O-N 2.87Å; F552-V555 VanDerWaalsContact O-N 3.11Å; E553-V555 VanDerWaalsContact C-N 3.32Å; E553-V555 PolarHBondContact O-N 3.39Å; V555-M558 PolarHBondContact O-N 2.7Å; V555-Y559 WeakPolarHBondContact O-CB 3.43Å; V555-Y559 PolarHBondContact O-N 2.96Å
556	K	98.1	Very high	98	Very high	44 Å²	44	22.5 Å²	22.5	19%	0.191	12%	0.123	C	C	.	.	H	α-helix	trans	-65.7	-38.5	-177.4	-172	70.1	-172.6	-9.7	0	112.2	L326 F552 E553 Y559 D560	L326-K556 HydrophobicContact CD2-CD 3.65Å; F552-K556 HydrophobicContact CE1-CB 4.4Å; F552-K556 HydrophobicContact CZ-CD 4.43Å; F552-K556 WeakPolarHBondContact O-CB 3.24Å; F552-K556 PolarHBondContact O-N 3.13Å; E553-K556 PolarHBondContact O-N 3.37Å; K556-Y559 HydrophobicContact CD-CD1 4.23Å; K556-Y559 WeakPolarHBondContact O-CB 3.35Å; K556-Y559 PolarHBondContact O-N 3.13Å; K556-D560 WeakPolarHBondContact CE-OD1 3.46Å; K556-D560 VanDerWaalsContact NZ-CG 3.32Å; K556-D560 IonicContact NZ-OD1 3.25Å; K556-D560 PolarHBondContact NZ-OD1 3.33Å; K556-D560 IonicContact NZ-OD2 3.87Å; K556-D560 PolarHBondContact NZ-OD2 2.97Å; K556-D560 WeakPolarHBondContact O-CB 3.44Å; K556-D560 PolarHBondContact O-N 2.79Å
557	E	97.9	Very high	98	Very high	28 Å²	28	26 Å²	26	13%	0.131	14%	0.138	C	C	.	.	H	α-helix	trans	-60.2	-45.2	173.1	-82.9	173.2	-137.9	0	0	112.2	N521 R545 E553 Y559 G561	N521-E557 VanDerWaalsContact CB-OE2 3.23Å; N521-E557 WeakPolarHBondContact CB-OE2 3.5Å; N521-E557 PolarHBondContact ND2-OE2 3.41Å; R545-E557 IonicContact CZ-OE1 3.15Å; R545-E557 VanDerWaalsContact CZ-OE1 3.25Å; R545-E557 IonicContact CZ-OE2 2.59Å; R545-E557 IonicContact NE-OE1 2.74Å; R545-E557 PolarHBondContact NE-OE1 2.83Å; R545-E557 IonicContact NE-OE2 3.59Å; R545-E557 PolarHBondContact NE-OE2 3.06Å; R545-E557 VanDerWaalsContact NH2-CD 3.25Å; R545-E557 IonicContact NH2-OE1 3.33Å; R545-E557 PolarHBondContact NH2-OE1 2.94Å; R545-E557 IonicContact NH2-OE2 3.39Å; R545-E557 PolarHBondContact NH2-OE2 3.07Å; E553-E557 WeakPolarHBondContact O-CB 3.38Å; E553-E557 WeakPolarHBondContact O-CG 3.33Å; E553-E557 PolarHBondContact O-N 3.04Å; E557-Y559 VanDerWaalsContact C-N 3.34Å; E557-G561 PolarHBondContact O-N 3.28Å
558	M	98.3	Very high	98	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-47.3	173.6	-178.7	-80.2	-68.2	0	0	110.5	V456 A498 V500 N543 V555 G561 V562	V456-M558 HydrophobicContact CG1-CE 4.24Å; V456-M558 HydrophobicContact CG2-CE 4.23Å; A498-M558 HydrophobicContact CB-CB 4.16Å; A498-M558 HydrophobicContact CB-CE 3.64Å; A498-M558 HydrophobicContact CB-CG 4.35Å; A498-M558 WeakPolarHBondContact O-CG 3.38Å; V500-M558 HydrophobicContact CG1-CE 4.27Å; V500-M558 HydrophobicContact CG1-SD 3.81Å; V500-M558 HydrophobicContact CG2-SD 4.48Å; N543-M558 HydrophobicContact CB-CB 4.2Å; V555-M558 PolarHBondContact O-N 2.7Å; M558-G561 PolarHBondContact O-N 3.47Å; M558-V562 HydrophobicContact CG-CG2 4.36Å; M558-V562 WeakPolarHBondContact O-CB 3.34Å; M558-V562 WeakPolarHBondContact O-CG2 3.4Å; M558-V562 PolarHBondContact O-N 2.8Å; M558-V562 HydrophobicContact SD-CG2 3.78Å
559	Y	98.5	Very high	98	Very high	24 Å²	24	25.8 Å²	25.8	9%	0.094	13%	0.128	C	C	.	.	H	α-helix	trans	-59.4	-52.9	-179.3	173.1	-87.1	0	0	0	112.8	L326 C327 L329 V456 V555 K556 E557 G561 V562 S563	L326-Y559 HydrophobicContact CB-CE2 4.43Å; L326-Y559 HydrophobicContact CD2-CD1 3.96Å; L326-Y559 HydrophobicContact CD2-CD2 3.86Å; L326-Y559 HydrophobicContact CD2-CE1 4.5Å; L326-Y559 HydrophobicContact CD2-CE2 4.39Å; L326-Y559 HydrophobicContact CD2-CG 3.63Å; C327-Y559 WeakPolarHBondContact CB-OH 3.23Å; C327-Y559 PolarHBondContact N-OH 3.31Å; C327-Y559 VanDerWaalsContact N-OH 3.07Å; C327-Y559 VanDerWaalsContact O-CE2 3.27Å; C327-Y559 WeakPolarHBondContact O-CE2 3.48Å; L329-Y559 HydrophobicContact CD1-CD2 3.65Å; L329-Y559 HydrophobicContact CD1-CE2 4.02Å; L329-Y559 HydrophobicContact CD1-CG 4.35Å; L329-Y559 HydrophobicContact CD2-CD2 3.8Å; L329-Y559 HydrophobicContact CD2-CE1 4.37Å; L329-Y559 HydrophobicContact CD2-CE2 3.38Å; L329-Y559 HydrophobicContact CD2-CG 4.44Å; L329-Y559 HydrophobicContact CG-CD2 3.62Å; L329-Y559 HydrophobicContact CG-CE2 3.43Å; L329-Y559 VanDerWaalsContact CG-CE2 3.43Å; V456-Y559 HydrophobicContact CB-CD2 4.12Å; V456-Y559 HydrophobicContact CG1-CD2 4.4Å; V456-Y559 HydrophobicContact CG2-CD2 4.05Å; V555-Y559 WeakPolarHBondContact O-CB 3.43Å; V555-Y559 PolarHBondContact O-N 2.96Å; K556-Y559 HydrophobicContact CD-CD1 4.23Å; K556-Y559 WeakPolarHBondContact O-CB 3.35Å; K556-Y559 PolarHBondContact O-N 3.13Å; E557-Y559 VanDerWaalsContact C-N 3.34Å; Y559-G561 VanDerWaalsContact C-N 3.32Å; Y559-G561 PolarHBondContact O-N 2.83Å; Y559-V562 PolarHBondContact O-N 2.85Å; Y559-S563 WeakPolarHBondContact O-CB 3.48Å; Y559-S563 PolarHBondContact O-N 2.85Å
560	D	98.3	Very high	97.9	Very high	69 Å²	69	28.9 Å²	28.9	37%	0.369	14%	0.141	S	C	.	.	H	α-helix	trans	-64.1	-41.5	-179.1	-70.1	-22.5	0	0	0	110.3	K556 S563 E564	K556-D560 WeakPolarHBondContact CE-OD1 3.46Å; K556-D560 VanDerWaalsContact NZ-CG 3.32Å; K556-D560 IonicContact NZ-OD1 3.25Å; K556-D560 PolarHBondContact NZ-OD1 3.33Å; K556-D560 IonicContact NZ-OD2 3.87Å; K556-D560 PolarHBondContact NZ-OD2 2.97Å; K556-D560 WeakPolarHBondContact O-CB 3.44Å; K556-D560 PolarHBondContact O-N 2.79Å; D560-S563 PolarHBondContact O-N 3.15Å; D560-E564 PolarHBondContact O-N 2.86Å
561	G	98.1	Very high	97.8	Very high	2 Å²	2	32.8 Å²	32.8	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-56.3	-51.7	174.3	0	0	0	0	0	113.4	E557 M558 Y559 E564 L565	E557-G561 PolarHBondContact O-N 3.28Å; M558-G561 PolarHBondContact O-N 3.47Å; Y559-G561 VanDerWaalsContact C-N 3.32Å; Y559-G561 PolarHBondContact O-N 2.83Å; G561-E564 PolarHBondContact O-N 3.41Å; G561-L565 WeakPolarHBondContact O-CG 3.4Å; G561-L565 PolarHBondContact O-N 3.41Å; G561-L565 VanDerWaalsContact O-N 3.07Å
562	V	98.2	Very high	97.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.2	-39	178.9	171.8	0	0	0	0	111.5	L329 I336 V500 I502 I541 M558 Y559 E564 L565 I566	L329-V562 HydrophobicContact CD1-CB 4.02Å; L329-V562 HydrophobicContact CD1-CG1 3.77Å; I336-V562 HydrophobicContact CD1-CG1 3.97Å; V500-V562 HydrophobicContact CG2-CB 4.32Å; V500-V562 HydrophobicContact CG2-CG1 3.91Å; V500-V562 HydrophobicContact CG2-CG2 3.41Å; V500-V562 VanDerWaalsContact CG2-CG2 3.41Å; I502-V562 HydrophobicContact CD1-CG1 3.79Å; I541-V562 HydrophobicContact CG2-CG2 4.2Å; M558-V562 HydrophobicContact CG-CG2 4.36Å; M558-V562 WeakPolarHBondContact O-CB 3.34Å; M558-V562 WeakPolarHBondContact O-CG2 3.4Å; M558-V562 PolarHBondContact O-N 2.8Å; M558-V562 HydrophobicContact SD-CG2 3.78Å; Y559-V562 PolarHBondContact O-N 2.85Å; V562-E564 VanDerWaalsContact C-N 3.32Å; V562-E564 PolarHBondContact O-N 3.42Å; V562-L565 PolarHBondContact O-N 3.11Å; V562-I566 HydrophobicContact CG1-CD1 3.88Å; V562-I566 HydrophobicContact CG1-CG1 4.46Å; V562-I566 WeakPolarHBondContact O-CG1 3.45Å; V562-I566 PolarHBondContact O-N 2.82Å
563	S	98	Very high	97.5	Very high	53 Å²	53	38 Å²	38	37%	0.371	18%	0.183	S	C	.	.	H	α-helix	trans	-58.1	-44.9	176.1	-175.3	0	0	0	0	111.6	Y559 D560 I566 K567	Y559-S563 WeakPolarHBondContact O-CB 3.48Å; Y559-S563 PolarHBondContact O-N 2.85Å; D560-S563 PolarHBondContact O-N 3.15Å; S563-I566 PolarHBondContact O-N 2.87Å; S563-K567 PolarHBondContact O-N 2.88Å; S563-K567 VanDerWaalsContact O-N 3.1Å
564	E	98	Very high	97.2	Very high	59 Å²	59	42.1 Å²	42.1	28%	0.276	20%	0.2	S	C	.	.	H	α-helix	trans	-68.3	-39.3	177.7	-170.5	61	-161.2	0	0	112	M520 D560 G561 V562 I566 K567 M568	M520-E564 HydrophobicContact CE-CB 3.56Å; M520-E564 HydrophobicContact CE-CG 3.97Å; M520-E564 HydrophobicContact SD-CB 4.21Å; M520-E564 HydrophobicContact SD-CG 4.37Å; D560-E564 PolarHBondContact O-N 2.86Å; G561-E564 PolarHBondContact O-N 3.41Å; V562-E564 VanDerWaalsContact C-N 3.32Å; V562-E564 PolarHBondContact O-N 3.42Å; E564-I566 VanDerWaalsContact C-N 3.33Å; E564-I566 PolarHBondContact O-N 3.38Å; E564-K567 WeakPolarHBondContact O-CB 3.4Å; E564-K567 PolarHBondContact O-N 3.28Å; E564-K567 VanDerWaalsContact O-N 3.16Å; E564-K567 IonicContact OE1-NZ 3.71Å; E564-K567 PolarHBondContact OE1-NZ 3.3Å; E564-K567 IonicContact OE2-NZ 2.86Å; E564-M568 HydrophobicContact CG-CE 3.73Å; E564-M568 HydrophobicContact CG-SD 4.5Å; E564-M568 WeakPolarHBondContact O-CG 3.28Å; E564-M568 PolarHBondContact O-N 2.77Å
565	L	97.8	Very high	96.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-41	175.7	-71.1	175.2	0	0	0	112.3	L504 M507 F513 I516 L522 I541 G561 V562 K567 M568 E569	L504-L565 HydrophobicContact CD1-CB 3.87Å; L504-L565 HydrophobicContact CD1-CD1 4.25Å; M507-L565 HydrophobicContact CG-CD2 4.04Å; F513-L565 HydrophobicContact CE2-CD2 4.17Å; I516-L565 HydrophobicContact CG2-CD2 4.34Å; L522-L565 HydrophobicContact CD1-CD1 3.9Å; I541-L565 HydrophobicContact CD1-CD1 3.5Å; I541-L565 VanDerWaalsContact CD1-CD1 3.5Å; I541-L565 HydrophobicContact CG2-CD1 4.43Å; G561-L565 WeakPolarHBondContact O-CG 3.4Å; G561-L565 PolarHBondContact O-N 3.41Å; G561-L565 VanDerWaalsContact O-N 3.07Å; V562-L565 PolarHBondContact O-N 3.11Å; L565-K567 VanDerWaalsContact C-N 3.32Å; L565-M568 PolarHBondContact O-N 3.21Å; L565-E569 WeakPolarHBondContact O-CB 3.24Å; L565-E569 PolarHBondContact O-N 3.06Å
566	I	97.6	Very high	95.3	Very high	11 Å²	11	59.5 Å²	59.5	6%	0.056	28%	0.283	C	S	.	.	H	α-helix	trans	-63.5	-41.1	174.9	-70.4	164.5	0	0	0	110.8	D330 Y335 I336 I502 V562 S563 E564 E569 K570	D330-I566 HydrophobicContact CB-CD1 4.14Å; Y335-I566 HydrophobicContact CD2-CG1 4.49Å; Y335-I566 HydrophobicContact CD2-CG2 3.86Å; Y335-I566 HydrophobicContact CE2-CG2 3.98Å; Y335-I566 HydrophobicContact CG-CG1 4.48Å; Y335-I566 HydrophobicContact CG-CG2 4.49Å; I336-I566 HydrophobicContact CD1-CD1 3.89Å; I336-I566 HydrophobicContact CG1-CD1 4.15Å; I502-I566 HydrophobicContact CD1-CD1 3.9Å; I502-I566 HydrophobicContact CD1-CG1 3.59Å; V562-I566 HydrophobicContact CG1-CD1 3.88Å; V562-I566 HydrophobicContact CG1-CG1 4.46Å; V562-I566 WeakPolarHBondContact O-CG1 3.45Å; V562-I566 PolarHBondContact O-N 2.82Å; S563-I566 PolarHBondContact O-N 2.87Å; E564-I566 VanDerWaalsContact C-N 3.33Å; E564-I566 PolarHBondContact O-N 3.38Å; I566-E569 PolarHBondContact O-N 2.81Å; I566-K570 HydrophobicContact CG2-CD 4.15Å; I566-K570 WeakPolarHBondContact O-CB 3.38Å; I566-K570 WeakPolarHBondContact O-CG 3.49Å; I566-K570 PolarHBondContact O-N 2.9Å
567	K	97.1	Very high	95.2	Very high	99 Å²	99	60.3 Å²	60.3	43%	0.43	29%	0.288	S	S	.	.	H	α-helix	trans	-62.6	-46.1	177.3	179.5	-172.8	160.7	-149.1	0	111.2	S563 E564 L565 E569 K570 E571	S563-K567 PolarHBondContact O-N 2.88Å; S563-K567 VanDerWaalsContact O-N 3.1Å; E564-K567 WeakPolarHBondContact O-CB 3.4Å; E564-K567 PolarHBondContact O-N 3.28Å; E564-K567 VanDerWaalsContact O-N 3.16Å; E564-K567 IonicContact OE1-NZ 3.71Å; E564-K567 PolarHBondContact OE1-NZ 3.3Å; E564-K567 IonicContact OE2-NZ 2.86Å; L565-K567 VanDerWaalsContact C-N 3.32Å; K567-E569 PolarHBondContact O-N 3.31Å; K567-K570 PolarHBondContact O-N 2.74Å; K567-E571 WeakPolarHBondContact CE-OE1 3.43Å; K567-E571 WeakPolarHBondContact O-CG 3.41Å; K567-E571 PolarHBondContact O-N 2.95Å
568	M	96.8	Very high	95	Very high	45 Å²	45	62 Å²	62	22%	0.222	30%	0.296	C	S	.	.	H	α-helix	trans	-60.9	-43.7	175.6	-69.3	177.6	178.5	0	0	111.8	M507 I516 E564 L565 K570 E571 M572	M507-M568 HydrophobicContact SD-CB 3.93Å; M507-M568 HydrophobicContact SD-SD 4.12Å; I516-M568 HydrophobicContact CG2-SD 4.4Å; E564-M568 HydrophobicContact CG-CE 3.73Å; E564-M568 HydrophobicContact CG-SD 4.5Å; E564-M568 WeakPolarHBondContact O-CG 3.28Å; E564-M568 PolarHBondContact O-N 2.77Å; L565-M568 PolarHBondContact O-N 3.21Å; M568-K570 PolarHBondContact O-N 3.06Å; M568-E571 PolarHBondContact O-N 3.09Å; M568-M572 WeakPolarHBondContact O-CG 3.48Å; M568-M572 PolarHBondContact O-N 2.88Å
569	E	96.7	Very high	94.8	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.4	-47.2	175.4	-173.2	74.1	-162.6	0	0	111.2	Y335 L504 P505 L506 M507 L565 I566 K567 E571 M572 E573	Y335-E569 HydrophobicContact CD1-CG 4.04Å; Y335-E569 HydrophobicContact CE1-CB 4.36Å; Y335-E569 HydrophobicContact CE1-CG 3.65Å; L504-E569 WeakPolarHBondContact CA-OE2 3.37Å; L504-E569 HydrophobicContact CD2-CB 3.79Å; L504-E569 HydrophobicContact CD2-CG 3.88Å; P505-E569 WeakPolarHBondContact CD-OE1 3.3Å; P505-E569 WeakPolarHBondContact CG-OE1 3.42Å; L506-E569 WeakPolarHBondContact CB-OE1 3.13Å; L506-E569 WeakPolarHBondContact CG-OE1 3.09Å; L506-E569 PolarHBondContact N-OE1 2.86Å; L506-E569 PolarHBondContact N-OE2 3.18Å; M507-E569 WeakPolarHBondContact CB-OE2 3.34Å; M507-E569 PolarHBondContact N-OE2 2.97Å; L565-E569 WeakPolarHBondContact O-CB 3.24Å; L565-E569 PolarHBondContact O-N 3.06Å; I566-E569 PolarHBondContact O-N 2.81Å; K567-E569 PolarHBondContact O-N 3.31Å; E569-E571 VanDerWaalsContact C-N 3.3Å; E569-E571 PolarHBondContact O-N 2.65Å; E569-M572 PolarHBondContact O-N 2.79Å; E569-M572 VanDerWaalsContact O-N 3.15Å; E569-E573 WeakPolarHBondContact O-CG 3.17Å; E569-E573 PolarHBondContact O-N 3.35Å
570	K	96.6	Very high	94.6	Very high	71 Å²	71	67.9 Å²	67.9	31%	0.309	33%	0.325	S	S	.	.	H	α-helix	trans	-59.8	-37.2	176.5	-77.8	178.2	179.1	-167.1	0	113.1	Y335 I566 K567 M568 K574	Y335-K570 HydrophobicContact CE2-CD 4.43Å; Y335-K570 HydrophobicContact CE2-CG 4.18Å; Y335-K570 WeakPolarHBondContact OH-CG 3.47Å; I566-K570 HydrophobicContact CG2-CD 4.15Å; I566-K570 WeakPolarHBondContact O-CB 3.38Å; I566-K570 WeakPolarHBondContact O-CG 3.49Å; I566-K570 PolarHBondContact O-N 2.9Å; K567-K570 PolarHBondContact O-N 2.74Å; M568-K570 PolarHBondContact O-N 3.06Å; K570-K574 WeakPolarHBondContact O-CG 3.48Å; K570-K574 PolarHBondContact O-N 3.19Å
571	E	96.5	Very high	94.4	Very high	95 Å²	95	67.8 Å²	67.8	44%	0.444	32%	0.323	S	S	.	.	H	α-helix	trans	-69.1	-39.6	176.2	-74.3	171.6	-172.3	0	0	111.4	K567 M568 E569 K574 N575	K567-E571 WeakPolarHBondContact CE-OE1 3.43Å; K567-E571 WeakPolarHBondContact O-CG 3.41Å; K567-E571 PolarHBondContact O-N 2.95Å; M568-E571 PolarHBondContact O-N 3.09Å; E569-E571 VanDerWaalsContact C-N 3.3Å; E569-E571 PolarHBondContact O-N 2.65Å; E571-K574 PolarHBondContact O-N 3.36Å; E571-N575 PolarHBondContact O-ND2 3.16Å
572	M	95.4	Very high	94.2	Very high	55 Å²	55	72.2 Å²	72.2	27%	0.271	34%	0.343	S	S	.	.	H	α-helix	trans	-67.1	-39.7	175.3	-67	179.8	75.4	0	0	111.9	L506 M507 R510 M568 E569 K574 N575 F576	L506-M572 HydrophobicContact CB-CB 4Å; L506-M572 HydrophobicContact CB-CE 3.89Å; L506-M572 HydrophobicContact CB-SD 4.12Å; L506-M572 HydrophobicContact CD1-CB 3.69Å; M507-M572 HydrophobicContact SD-SD 4.25Å; R510-M572 HydrophobicContact CG-CE 4.1Å; M568-M572 WeakPolarHBondContact O-CG 3.48Å; M568-M572 PolarHBondContact O-N 2.88Å; E569-M572 PolarHBondContact O-N 2.79Å; E569-M572 VanDerWaalsContact O-N 3.15Å; M572-K574 PolarHBondContact O-N 3.3Å; M572-N575 PolarHBondContact O-N 3.43Å; M572-N575 VanDerWaalsContact O-N 3.1Å; M572-F576 PolarHBondContact O-N 3.46Å; M572-F576 VanDerWaalsContact O-N 3.17Å
573	E	94.6	Very high	93.9	Very high	60 Å²	60	77.4 Å²	77.4	28%	0.28	37%	0.367	S	S	.	.	H	α-helix	trans	-62.8	-26.8	176.3	-73.8	179.3	142.3	0	0	113.4	K334 Y335 L506 E569 N575	K334-E573 WeakPolarHBondContact CE-OE1 3.35Å; K334-E573 IonicContact NZ-OE1 2.69Å; K334-E573 PolarHBondContact NZ-OE1 2.67Å; K334-E573 IonicContact NZ-OE2 3.15Å; K334-E573 PolarHBondContact NZ-OE2 3.01Å; Y335-E573 PolarHBondContact OH-OE2 3.12Å; L506-E573 HydrophobicContact CD1-CB 4.35Å; L506-E573 HydrophobicContact CD1-CG 3.73Å; E569-E573 WeakPolarHBondContact O-CG 3.17Å; E569-E573 PolarHBondContact O-N 3.35Å; E573-N575 VanDerWaalsContact C-N 3.35Å
574	K	92.5	Very high	93.5	Very high	170 Å²	170	79.2 Å²	79.2	74%	0.739	37%	0.367	S	S	*	.	H	α-helix	trans	-76.2	-24.9	175.2	-72.1	173.3	-176.6	178.4	0	113.1	K570 E571 M572	K570-K574 WeakPolarHBondContact O-CG 3.48Å; K570-K574 PolarHBondContact O-N 3.19Å; E571-K574 PolarHBondContact O-N 3.36Å; M572-K574 PolarHBondContact O-N 3.3Å
575	N	86.1	Confident	93.2	Very high	147 Å²	147	80.9 Å²	80.9	79%	0.786	37%	0.374	S	S	*	.	H	α-helix	trans	-96.7	-4.7	-177.8	-65.8	-32.7	0	0	0	112.6	E571 M572 E573	E571-N575 PolarHBondContact O-ND2 3.16Å; M572-N575 PolarHBondContact O-N 3.43Å; M572-N575 VanDerWaalsContact O-N 3.1Å; E573-N575 VanDerWaalsContact C-N 3.35Å
576	F	70.6	Confident	92.8	Very high	218 Å²	218	88.3 Å²	88.3	96%	0.956	41%	0.409	S	S	*	.			trans	-97.9	0	177.2	-149.2	-81	0	0	0	109.7	L506 M572	L506-F576 HydrophobicContact CD2-CD2 3.91Å; L506-F576 HydrophobicContact CD2-CE2 4.02Å; M572-F576 PolarHBondContact O-N 3.46Å; M572-F576 VanDerWaalsContact O-N 3.17Å

Retrieved 576 of 576 residues in 450.6 ms (Link to these results)

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