A0A087XWQ5_POEFO Loading...

Hydroxyacid-oxoacid transhydrogenase, mitochondrial

AlphaFold DB , UniProt , Accession A0A087XWQ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 469 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	N	54.3	Low	62.3	Low	212 Å²	212	129.5 Å²	129.5	100%	1.134	66%	0.661	S	S	*	*				0	61	0	-96.3	-12.7	0	0	0	112.2
2	M	51.2	Low	62.7	Low	168 Å²	168	127.3 Å²	127.3	83%	0.828	65%	0.651	S	S	*	*			trans	-90.2	-8.9	178.3	-75	-179.1	-130.3	0	0	113.7	G4	M2-G4 VanDerWaalsContact C-N 3.34Å; M2-G4 PolarHBondContact O-N 2.87Å
3	A	55.3	Low	62.8	Low	77 Å²	77	130.2 Å²	130.2	64%	0.636	65%	0.649	S	S	*	*	H	α-helix	trans	-78.4	-10.8	-179	0	0	0	0	0	115
4	G	61.2	Low	62.7	Low	43 Å²	43	129.1 Å²	129.1	44%	0.443	64%	0.641	S	S	.	*	H	α-helix	trans	-87.9	-30.6	178.6	0	0	0	0	0	114.3	M2 I8	M2-G4 VanDerWaalsContact C-N 3.34Å; M2-G4 PolarHBondContact O-N 2.87Å; G4-I8 WeakPolarHBondContact O-CD1 3.48Å; G4-I8 WeakPolarHBondContact O-CG1 3.4Å; G4-I8 PolarHBondContact O-N 2.93Å
5	R	59.5	Low	62.4	Low	206 Å²	206	127.7 Å²	127.7	78%	0.777	64%	0.636	S	S	*	*	H	α-helix	trans	-74.4	-39	-178.5	-93.5	-179.7	165.7	156.5	-3.6	112.5	R7 I8 V9	R5-R7 PolarHBondContact O-N 3.38Å; R5-I8 PolarHBondContact O-N 3.49Å; R5-V9 WeakPolarHBondContact O-CG2 3.39Å; R5-V9 PolarHBondContact O-N 3.39Å
6	D	65.2	Low	61.9	Low	121 Å²	121	129.7 Å²	129.7	65%	0.647	64%	0.643	S	S	*	*	H	α-helix	trans	-68.9	-33.1	-180	-71.2	-20.1	0	0	0	112.9	H10	D6-H10 VanDerWaalsContact O-CB 3.32Å; D6-H10 WeakPolarHBondContact O-CB 3.45Å; D6-H10 PolarHBondContact O-N 3.22Å
7	R	63.1	Low	61.4	Low	203 Å²	203	135.5 Å²	135.5	77%	0.766	66%	0.656	S	S	*	*	H	α-helix	trans	-67.5	-36.2	173.8	-73.8	-174.5	-178	-167.9	1	112.4	R5 L11	R5-R7 PolarHBondContact O-N 3.38Å; R7-L11 WeakPolarHBondContact O-CB 3.38Å; R7-L11 PolarHBondContact O-N 3.31Å
8	I	68.8	Low	60.8	Low	104 Å²	104	132.3 Å²	132.3	53%	0.533	66%	0.655	S	S	.	*	H	α-helix	trans	-70.9	-42.4	177	-67	169.4	0	0	0	110.7	G4 R5 H10 L11 L12	G4-I8 WeakPolarHBondContact O-CD1 3.48Å; G4-I8 WeakPolarHBondContact O-CG1 3.4Å; G4-I8 PolarHBondContact O-N 2.93Å; R5-I8 PolarHBondContact O-N 3.49Å; I8-H10 VanDerWaalsContact C-N 3.32Å; I8-H10 PolarHBondContact O-N 2.98Å; I8-L11 PolarHBondContact O-N 3.35Å; I8-L12 HydrophobicContact CG2-CD1 3.92Å; I8-L12 HydrophobicContact CG2-CG 4.48Å; I8-L12 WeakPolarHBondContact O-CB 3.38Å; I8-L12 WeakPolarHBondContact O-CG 3.48Å; I8-L12 PolarHBondContact O-N 3.01Å
9	V	71.6	Confident	59.9	Low	69 Å²	69	129.3 Å²	129.3	42%	0.418	65%	0.654	S	S	.	*	H	α-helix	trans	-65.6	-36.3	176.5	174.5	0	0	0	0	111.4	R5 R13	R5-V9 WeakPolarHBondContact O-CG2 3.39Å; R5-V9 PolarHBondContact O-N 3.39Å; V9-R13 WeakPolarHBondContact O-CB 3.47Å; V9-R13 WeakPolarHBondContact O-CG 3.33Å; V9-R13 PolarHBondContact O-N 3.48Å; V9-R13 VanDerWaalsContact O-N 3.08Å
10	H	70.3	Confident	58.9	Low	115 Å²	115	128.9 Å²	128.9	53%	0.532	66%	0.661	S	S	.	*	H	α-helix	trans	-70	-38	175.8	-161.8	-30.4	0	0	0	112.5	D6 I8 Q14	D6-H10 VanDerWaalsContact O-CB 3.32Å; D6-H10 WeakPolarHBondContact O-CB 3.45Å; D6-H10 PolarHBondContact O-N 3.22Å; I8-H10 VanDerWaalsContact C-N 3.32Å; I8-H10 PolarHBondContact O-N 2.98Å; H10-Q14 PolarHBondContact O-N 3.48Å; H10-Q14 VanDerWaalsContact O-N 3.1Å
11	L	65	Low	58.2	Low	107 Å²	107	134.6 Å²	134.6	56%	0.56	68%	0.675	S	S	*	*	H	α-helix	trans	-67.9	-41.4	176.4	-162	80.2	0	0	0	111.5	R7 I8 Q14 L15	R7-L11 WeakPolarHBondContact O-CB 3.38Å; R7-L11 PolarHBondContact O-N 3.31Å; I8-L11 PolarHBondContact O-N 3.35Å; L11-Q14 PolarHBondContact O-N 3.11Å; L11-L15 HydrophobicContact CG-CD1 4.4Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 3.18Å
12	L	67.4	Low	57.3	Low	103 Å²	103	127.9 Å²	127.9	54%	0.539	64%	0.644	S	S	.	*	H	α-helix	trans	-63.6	-41.7	175.7	-73.8	168.1	0	0	0	112.1	I8 Q14 L15 E16	I8-L12 HydrophobicContact CG2-CD1 3.92Å; I8-L12 HydrophobicContact CG2-CG 4.48Å; I8-L12 WeakPolarHBondContact O-CB 3.38Å; I8-L12 WeakPolarHBondContact O-CG 3.48Å; I8-L12 PolarHBondContact O-N 3.01Å; L12-Q14 VanDerWaalsContact C-N 3.31Å; L12-Q14 PolarHBondContact O-N 3.41Å; L12-L15 PolarHBondContact O-N 3.13Å; L12-E16 PolarHBondContact O-N 3.22Å
13	R	63.8	Low	56.9	Low	164 Å²	164	125.6 Å²	125.6	62%	0.619	64%	0.641	S	S	*	*	H	α-helix	trans	-67.5	-27.8	175	-78	-179.7	175.8	178.1	0.4	113.6	V9 R17	V9-R13 WeakPolarHBondContact O-CB 3.47Å; V9-R13 WeakPolarHBondContact O-CG 3.33Å; V9-R13 PolarHBondContact O-N 3.48Å; V9-R13 VanDerWaalsContact O-N 3.08Å; R13-R17 WeakPolarHBondContact O-CG 3.49Å; R13-R17 PolarHBondContact O-N 3.27Å
14	Q	61.1	Low	56.2	Low	115 Å²	115	125.2 Å²	125.2	54%	0.537	64%	0.638	S	S	.	*	H	α-helix	trans	-78.4	-34.7	173.9	-80.9	-172.8	-25	0	0	112.1	H10 L11 L12 R17 A18	H10-Q14 PolarHBondContact O-N 3.48Å; H10-Q14 VanDerWaalsContact O-N 3.1Å; L11-Q14 PolarHBondContact O-N 3.11Å; L12-Q14 VanDerWaalsContact C-N 3.31Å; L12-Q14 PolarHBondContact O-N 3.41Å; Q14-R17 PolarHBondContact O-N 2.95Å; Q14-A18 VanDerWaalsContact O-CB 3.3Å; Q14-A18 WeakPolarHBondContact O-CB 3.39Å; Q14-A18 PolarHBondContact O-N 2.88Å
15	L	58.3	Low	55.3	Low	109 Å²	109	131.2 Å²	131.2	57%	0.571	65%	0.654	S	S	*	*	H	α-helix	trans	-68.1	-38.3	173.1	-74.3	164.3	0	0	0	112.2	L11 L12 R17 A18 A19	L11-L15 HydrophobicContact CG-CD1 4.4Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 3.18Å; L12-L15 PolarHBondContact O-N 3.13Å; L15-R17 VanDerWaalsContact C-N 3.28Å; L15-R17 PolarHBondContact O-N 2.78Å; L15-A18 PolarHBondContact O-N 2.75Å; L15-A19 PolarHBondContact O-N 3.12Å; L15-A19 VanDerWaalsContact O-N 3.14Å
16	E	54.3	Low	54.2	Low	159 Å²	159	125.4 Å²	125.4	74%	0.743	65%	0.645	S	S	*	*	H	α-helix	trans	-63	-31.5	170.8	-88.3	-176.3	153.8	0	0	113.1	L12	L12-E16 PolarHBondContact O-N 3.22Å
17	R	53.5	Low	52.8	Low	228 Å²	228	127.3 Å²	127.3	86%	0.86	65%	0.65	S	S	*	*	H	α-helix	trans	-84.3	-20.5	177.8	-74.8	178.9	177.4	-169.4	-0.6	113.6	R13 Q14 L15	R13-R17 WeakPolarHBondContact O-CG 3.49Å; R13-R17 PolarHBondContact O-N 3.27Å; Q14-R17 PolarHBondContact O-N 2.95Å; L15-R17 VanDerWaalsContact C-N 3.28Å; L15-R17 PolarHBondContact O-N 2.78Å
18	A	50.7	Low	51.4	Low	78 Å²	78	123.2 Å²	123.2	65%	0.645	65%	0.648	S	S	*	*	H	α-helix	trans	-97.5	-10	-178.8	0	0	0	0	0	114	Q14 L15 C20	Q14-A18 VanDerWaalsContact O-CB 3.3Å; Q14-A18 WeakPolarHBondContact O-CB 3.39Å; Q14-A18 PolarHBondContact O-N 2.88Å; L15-A18 PolarHBondContact O-N 2.75Å; A18-C20 PolarHBondContact O-N 3.32Å
19	A	43	Very low	49.8	Very low	76 Å²	76	127.1 Å²	127.1	63%	0.628	66%	0.661	S	S	*	*	S	Bend	trans	-76.7	87.7	171.7	0	0	0	0	0	111.2	L15	L15-A19 PolarHBondContact O-N 3.12Å; L15-A19 VanDerWaalsContact O-N 3.14Å
20	C	41.3	Very low	47.9	Very low	120 Å²	120	132.1 Å²	132.1	81%	0.811	68%	0.679	S	S	*	*			trans	52.6	80.8	150.4	-66.4	0	0	0	0	118.4	A18 C22	A18-C20 PolarHBondContact O-N 3.32Å; C20-C22 PolarHBondContact O-N 3.36Å
21	R	43.4	Very low	46.4	Very low	249 Å²	249	135 Å²	135	94%	0.94	69%	0.693	S	S	*	*			trans	-79	87.9	146.8	-73.1	-177.9	175.6	-169.9	-2.6	109.3
22	C	35.4	Very low	44.8	Very low	71 Å²	71	132.7 Å²	132.7	48%	0.48	70%	0.695	S	S	.	*			trans	-100.4	120.3	162.5	-155.6	0	0	0	0	107.7	C20 A24 H25	C20-C22 PolarHBondContact O-N 3.36Å; C22-A24 PolarHBondContact O-N 3Å; C22-H25 PolarHBondContact O-N 3.42Å
23	P	42	Very low	43.5	Very low	120 Å²	120	132.5 Å²	132.5	78%	0.779	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-7.9	-179.9	-20.6	31.6	0	0	0	114.4
24	A	41.8	Very low	42.2	Very low	69 Å²	69	129.2 Å²	129.2	57%	0.57	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-4.6	-179.9	0	0	0	0	0	114.8	C22	C22-A24 PolarHBondContact O-N 3Å
25	H	42.7	Very low	41.1	Very low	170 Å²	170	128 Å²	128	79%	0.787	73%	0.726	S	S	*	*	S	Bend	trans	-135.8	14.4	-175.3	-69.6	-71.7	0	0	0	115.4	C22	C22-H25 PolarHBondContact O-N 3.42Å
26	S	35.4	Very low	40.2	Very low	84 Å²	84	128.2 Å²	128.2	59%	0.587	74%	0.744	S	S	*	*			trans	-110	59.7	169.7	72.1	0	0	0	0	111.3	T28	S26-T28 VanDerWaalsContact C-N 3.29Å; S26-T28 PolarHBondContact O-N 3.43Å
27	H	36.9	Very low	39.8	Very low	160 Å²	160	123.7 Å²	123.7	74%	0.741	74%	0.739	S	S	*	*			trans	-89.7	82.9	149.8	-71.7	-67.9	0	0	0	106.7	F29	H27-F29 PolarHBondContact O-N 2.97Å
28	T	32.6	Very low	40.1	Very low	117 Å²	117	116.1 Å²	116.1	72%	0.718	73%	0.733	S	S	*	*			trans	-48.5	102.7	141.3	15.6	0	0	0	0	105.4	S26 H30	S26-T28 VanDerWaalsContact C-N 3.29Å; S26-T28 PolarHBondContact O-N 3.43Å; T28-H30 PolarHBondContact O-N 3.37Å
29	F	34.7	Very low	41.1	Very low	186 Å²	186	120.5 Å²	120.5	82%	0.816	73%	0.733	S	S	*	*			trans	-56.9	89.5	161.4	-101.8	-98.4	0	0	0	105.4	H27 Q31	H27-F29 PolarHBondContact O-N 2.97Å; F29-Q31 PolarHBondContact O-N 3.23Å
30	H	32.5	Very low	43.2	Very low	174 Å²	174	125.6 Å²	125.6	81%	0.806	74%	0.74	S	S	*	*			trans	-57.9	95.2	142.4	-85.3	-65.7	0	0	0	104.2	T28 G32	T28-H30 PolarHBondContact O-N 3.37Å; H30-G32 PolarHBondContact O-N 3.35Å
31	Q	39.1	Very low	45.5	Very low	176 Å²	176	122.7 Å²	122.7	82%	0.822	72%	0.719	S	S	*	*			trans	-56.9	79.5	143	-78.5	-176.4	-7	0	0	105.3	F29 A33	F29-Q31 PolarHBondContact O-N 3.23Å; Q31-A33 PolarHBondContact O-N 3.34Å
32	G	31.8	Very low	47.7	Very low	58 Å²	58	111 Å²	111	60%	0.598	68%	0.675	S	S	*	*			trans	-52	111.9	140.9	0	0	0	0	0	103.2	H30 A34	H30-G32 PolarHBondContact O-N 3.35Å; G32-A34 PolarHBondContact O-N 3.18Å
33	A	38.3	Very low	50.3	Low	100 Å²	100	114.2 Å²	114.2	83%	0.826	68%	0.678	S	S	*	*			trans	-56.8	81	160.5	0	0	0	0	0	105.7	Q31 A35	Q31-A33 PolarHBondContact O-N 3.34Å; A33-A35 VanDerWaalsContact C-N 3.31Å; A33-A35 PolarHBondContact O-N 3.21Å
34	A	37.3	Very low	52.6	Low	94 Å²	94	110 Å²	110	78%	0.777	65%	0.654	S	S	*	*			trans	-59.3	109.9	160.6	0	0	0	0	0	102.6	G32 A36	G32-A34 PolarHBondContact O-N 3.18Å; A34-A36 PolarHBondContact O-N 2.89Å
35	A	37.3	Very low	55	Low	89 Å²	89	109.1 Å²	109.1	74%	0.736	64%	0.637	S	S	*	*			trans	-36.5	137.3	178	0	0	0	0	0	109.9	A33 G37	A33-A35 VanDerWaalsContact C-N 3.31Å; A33-A35 PolarHBondContact O-N 3.21Å; A35-G37 PolarHBondContact O-N 2.96Å
36	A	40.4	Very low	57.2	Low	115 Å²	115	104.9 Å²	104.9	95%	0.95	62%	0.618	S	S	*	*			trans	-64.5	58.5	169.6	0	0	0	0	0	111.1	A34	A34-A36 PolarHBondContact O-N 2.89Å
37	G	44.8	Very low	59.6	Low	63 Å²	63	103.5 Å²	103.5	65%	0.649	60%	0.603	S	S	*	*			trans	-89.5	95	157.1	0	0	0	0	0	106.4	A35 R39	A35-G37 PolarHBondContact O-N 2.96Å; G37-R39 PolarHBondContact O-N 3.22Å
38	G	60.2	Low	61.5	Low	70 Å²	70	96.9 Å²	96.9	72%	0.722	58%	0.576	S	S	*	*			trans	-51.7	127	-180	0	0	0	0	0	110.9	K40	G38-K40 PolarHBondContact O-N 3.17Å
39	R	71.9	Confident	63.6	Low	170 Å²	170	95.8 Å²	95.8	64%	0.642	57%	0.573	S	S	*	*			trans	-57	128	173	-74.8	-176.9	177.2	174.6	-2.4	108.6	G37 Y43 C264	G37-R39 PolarHBondContact O-N 3.22Å; R39-Y43 VanDerWaalsContact NH1-CG 3.31Å; R39-C264 VanDerWaalsContact O-CB 3.23Å; R39-C264 WeakPolarHBondContact O-CB 3.34Å
40	K	86.5	Confident	66	Low	182 Å²	182	87.4 Å²	87.4	79%	0.791	54%	0.538	S	S	*	.	S	Bend	trans	-72.4	-38.8	-179.2	-66.9	-175.1	179.2	-178.4	0	111.7	G38 A262 P263 C264	G38-K40 PolarHBondContact O-N 3.17Å; K40-A262 WeakPolarHBondContact O-CB 3.17Å; K40-P263 WeakPolarHBondContact O-CA 3.37Å; K40-C264 PolarHBondContact O-N 3.17Å
41	T	90.5	Very high	68.8	Low	59 Å²	59	84.1 Å²	84.1	36%	0.362	53%	0.526	S	S	.	.	S	Bend	trans	-106.5	157.9	180	62	0	0	0	0	111.6	S259 R261 A262	T41-S259 VanDerWaalsContact CB-O 3.24Å; T41-S259 WeakPolarHBondContact CB-O 3.3Å; T41-S259 PolarHBondContact OG1-O 3.25Å; T41-R261 CarbonylContact C-O 3.59Å; T41-R261 WeakPolarHBondContact CA-O 3.3Å; T41-R261 WeakPolarHBondContact CB-O 3.48Å; T41-A262 HydrophobicContact CG2-CB 4.29Å
42	D	89.7	Confident	71.4	Confident	3 Å²	3	78.3 Å²	78.3	2%	0.016	50%	0.5	C	S	.	.			trans	-63.4	152.9	177.9	-135.8	-34.7	0	0	0	112	A44 Y258 S259 R261 R271	D42-A44 VanDerWaalsContact OD1-O 3.06Å; D42-Y258 VanDerWaalsContact CB-O 3.29Å; D42-Y258 WeakPolarHBondContact CB-O 3.45Å; D42-S259 CarbonylContact O-C 3.57Å; D42-S259 WeakPolarHBondContact O-CA 3.4Å; D42-R261 PolarHBondContact N-O 3.3Å; D42-R261 IonicContact OD2-CZ 3.47Å; D42-R261 IonicContact OD2-NE 3.39Å; D42-R261 PolarHBondContact OD2-NE 3.26Å; D42-R261 IonicContact OD2-NH2 2.74Å; D42-R261 PolarHBondContact OD2-NH2 3.17Å; D42-R271 IonicContact OD1-CZ 3.35Å; D42-R271 IonicContact OD1-NH1 3.58Å; D42-R271 PolarHBondContact OD1-NH1 3.04Å; D42-R271 IonicContact OD1-NH2 2.79Å; D42-R271 PolarHBondContact OD1-NH2 3.16Å; D42-R271 IonicContact OD2-CZ 3.62Å; D42-R271 IonicContact OD2-NH1 3.66Å; D42-R271 PolarHBondContact OD2-NH1 3.17Å; D42-R271 IonicContact OD2-NH2 3.79Å
43	Y	90.1	Very high	74.3	Confident	139 Å²	139	78.2 Å²	78.2	55%	0.545	48%	0.482	S	S	.	.			trans	-122.4	-11.1	177.4	68.9	-87.1	0	0	0	113	R39	R39-Y43 VanDerWaalsContact NH1-CG 3.31Å
44	A	91.1	Very high	76.9	Confident	33 Å²	33	78 Å²	78	27%	0.273	46%	0.46	S	S	.	.			trans	-138	163.1	-179.2	0	0	0	0	0	109.1	D42 R271	D42-A44 VanDerWaalsContact OD1-O 3.06Å; A44-R271 PolarHBondContact O-NH1 3.38Å
45	F	91.1	Very high	79.4	Confident	50 Å²	50	74.6 Å²	74.6	22%	0.219	43%	0.433	C	S	.	.			trans	-132.6	158.1	166	66.3	-84	0	0	0	107.8	Y258 Q275 N278 I280	F45-Y258 HydrophobicContact CB-CD2 4.09Å; F45-Y258 HydrophobicContact CB-CG 4.16Å; F45-Y258 AromaticContact CD1-CD1 3.84Å; F45-Y258 HydrophobicContact CD1-CD1 3.84Å; F45-Y258 AromaticContact CD1-CD2 3.77Å; F45-Y258 HydrophobicContact CD1-CD2 3.77Å; F45-Y258 AromaticContact CD1-CE1 3.82Å; F45-Y258 HydrophobicContact CD1-CE1 3.82Å; F45-Y258 AromaticContact CD1-CE2 3.77Å; F45-Y258 HydrophobicContact CD1-CE2 3.77Å; F45-Y258 AromaticContact CD1-CG 3.81Å; F45-Y258 HydrophobicContact CD1-CG 3.81Å; F45-Y258 AromaticContact CD1-CZ 3.79Å; F45-Y258 HydrophobicContact CE1-CD1 4.34Å; F45-Y258 HydrophobicContact CE1-CE1 4.01Å; F45-Y258 HydrophobicContact CE1-CE2 4.49Å; F45-Y258 HydrophobicContact CG-CD2 4.41Å; F45-Y258 HydrophobicContact CG-CG 4.34Å; F45-Q275 HydrophobicContact CB-CB 4.4Å; F45-N278 HydrophobicContact CD1-CB 3.89Å; F45-N278 HydrophobicContact CD2-CB 3.87Å; F45-N278 HydrophobicContact CE1-CB 3.96Å; F45-N278 HydrophobicContact CE2-CB 3.92Å; F45-N278 WeakPolarHBondContact CE2-OD1 3.14Å; F45-N278 HydrophobicContact CG-CB 3.86Å; F45-N278 HydrophobicContact CZ-CB 3.98Å; F45-I280 HydrophobicContact CE2-CB 4.13Å; F45-I280 HydrophobicContact CE2-CD1 3.68Å; F45-I280 HydrophobicContact CE2-CG1 3.83Å; F45-I280 HydrophobicContact CZ-CB 4.49Å; F45-I280 HydrophobicContact CZ-CD1 3.92Å; F45-I280 HydrophobicContact CZ-CG1 3.85Å
46	E	88.9	Confident	81.8	Confident	81 Å²	81	73.5 Å²	73.5	38%	0.379	43%	0.425	S	S	.	.			trans	-127.5	119.1	-179.3	-177	-169.4	161.4	0	0	108.8	R216 Q275	E46-R216 IonicContact OE1-NH1 3.19Å; E46-R216 PolarHBondContact OE1-NH1 2.93Å; E46-R216 IonicContact OE2-CZ 3.54Å; E46-R216 IonicContact OE2-NH1 2.69Å; E46-R216 PolarHBondContact OE2-NH1 2.93Å; E46-R216 IonicContact OE2-NH2 2.62Å; E46-Q275 PolarHBondContact O-NE2 3.01Å
47	M	85.3	Confident	83.9	Confident	54 Å²	54	68.4 Å²	68.4	27%	0.266	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-96.1	121.7	173.5	-173.4	-167.3	177	0	0	109.1	I280 I321 N325	M47-I280 HydrophobicContact CE-CG2 4.39Å; M47-I280 HydrophobicContact SD-CB 4.29Å; M47-I280 HydrophobicContact SD-CG2 3.27Å; M47-I280 WeakPolarHBondContact SD-CG2 3.3Å; M47-I321 HydrophobicContact CE-CG2 3.21Å; M47-N325 WeakPolarHBondContact CA-OD1 3.08Å; M47-N325 HydrophobicContact CG-CB 4.46Å
48	A	77.4	Confident	85.7	Confident	22 Å²	22	66 Å²	66	18%	0.182	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-96.4	124.3	168.1	0	0	0	0	0	108.8	R219 N325	A48-R219 PolarHBondContact O-NH2 2.9Å; A48-N325 PolarHBondContact N-OD1 3.33Å
49	S	76.3	Confident	86.3	Confident	93 Å²	93	63 Å²	63	65%	0.65	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-75.9	147.1	-176.9	-165.2	0	0	0	0	111.9
50	S	85.2	Confident	85.8	Confident	11 Å²	11	55.5 Å²	55.5	8%	0.077	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-100.5	135.7	174	-57	0	0	0	0	109.3	T196 R219	S50-T196 PolarHBondContact OG-O 3.29Å; S50-R219 WeakPolarHBondContact OG-CD 3.41Å; S50-R219 PolarHBondContact OG-NE 2.88Å
51	N	91.3	Very high	83.6	Confident	105 Å²	105	53.9 Å²	53.9	56%	0.561	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-83.8	119.5	173.7	-66.1	-27.8	0	0	0	109.1	T221 L222 G223	N51-T221 WeakPolarHBondContact CB-O 3.42Å; N51-T221 PolarHBondContact ND2-O 3.3Å; N51-L222 HydrophobicContact CB-CD1 4.35Å; N51-G223 PolarHBondContact O-N 2.92Å
52	I	93.6	Very high	81.1	Confident	54 Å²	54	56.4 Å²	56.4	28%	0.277	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.7	-178.3	-59.5	-65.3	0	0	0	110	E195 T196 G223 V225 V317	I52-E195 HydrophobicContact CD1-CG 4.23Å; I52-T196 HydrophobicContact CD1-CG2 3.74Å; I52-T196 HydrophobicContact CG1-CG2 4.32Å; I52-G223 WeakPolarHBondContact CA-O 3.36Å; I52-V225 HydrophobicContact CG2-CB 4.42Å; I52-V225 HydrophobicContact CG2-CG2 3.73Å; I52-V317 HydrophobicContact CD1-CG1 4.32Å; I52-V317 HydrophobicContact CG1-CG1 3.97Å; I52-V317 HydrophobicContact CG2-CG1 4.24Å
53	R	92.6	Very high	78.9	Confident	56 Å²	56	57.6 Å²	57.6	21%	0.211	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.4	167.4	-166.8	-173.7	-69.4	154.6	6.5	108.3	V58 V65 D69 L222 G223 V225	R53-V58 HydrophobicContact CB-CG2 4.42Å; R53-V58 HydrophobicContact CG-CG2 3.62Å; R53-V65 PolarHBondContact NH1-O 2.94Å; R53-D69 IonicContact CZ-OD1 3.71Å; R53-D69 IonicContact CZ-OD2 3.46Å; R53-D69 IonicContact NH1-OD2 2.7Å; R53-D69 PolarHBondContact NH1-OD2 3.4Å; R53-D69 IonicContact NH2-OD1 3.39Å; R53-D69 PolarHBondContact NH2-OD1 2.93Å; R53-D69 IonicContact NH2-OD2 3.73Å; R53-D69 PolarHBondContact NH2-OD2 3.14Å; R53-L222 HydrophobicContact CB-CD1 4.17Å; R53-G223 PolarHBondContact N-O 2.81Å; R53-V225 PolarHBondContact O-N 3.16Å
54	Y	92.7	Very high	76.4	Confident	96 Å²	96	59.2 Å²	59.2	38%	0.376	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.7	-179.6	172.7	-95.5	0	0	0	110.6	V225 P227 S310 L314	Y54-V225 WeakPolarHBondContact CA-O 3.5Å; Y54-V225 HydrophobicContact CD2-CB 4.04Å; Y54-V225 HydrophobicContact CD2-CG1 3.74Å; Y54-V225 VanDerWaalsContact CD2-O 3.3Å; Y54-V225 WeakPolarHBondContact CD2-O 3.23Å; Y54-V225 HydrophobicContact CE2-CG1 4.32Å; Y54-P227 HydrophobicContact CE2-CB 4.29Å; Y54-P227 HydrophobicContact CE2-CG 4.2Å; Y54-S310 WeakPolarHBondContact OH-CB 3.46Å; Y54-L314 HydrophobicContact CD1-CD1 4.31Å; Y54-L314 HydrophobicContact CD1-CD2 4.39Å; Y54-L314 HydrophobicContact CD2-CD1 4.23Å; Y54-L314 HydrophobicContact CD2-CD2 3.5Å; Y54-L314 HydrophobicContact CD2-CG 3.78Å; Y54-L314 HydrophobicContact CE1-CD1 3.89Å; Y54-L314 HydrophobicContact CE1-CG 4.48Å; Y54-L314 HydrophobicContact CE2-CD1 3.8Å; Y54-L314 HydrophobicContact CE2-CD2 3.83Å; Y54-L314 HydrophobicContact CE2-CG 3.53Å; Y54-L314 HydrophobicContact CG-CD1 4.46Å; Y54-L314 HydrophobicContact CG-CD2 3.8Å; Y54-L314 HydrophobicContact CG-CG 4.35Å
55	G	90.3	Very high	74.2	Confident	21 Å²	21	61.2 Å²	61.2	22%	0.216	34%	0.337	C	S	.	.			trans	161.5	149.5	172.2	0	0	0	0	0	112.2	G57 V58 V225 P227	G55-G57 PolarHBondContact O-N 3.15Å; G55-V58 VanDerWaalsContact O-CB 3.22Å; G55-V58 WeakPolarHBondContact O-CB 3.45Å; G55-V58 WeakPolarHBondContact O-CG1 3.48Å; G55-V58 PolarHBondContact O-N 3.03Å; G55-V225 PolarHBondContact N-O 2.85Å; G55-P227 VanDerWaalsContact C-CD 3.5Å; G55-P227 WeakPolarHBondContact O-CD 3.38Å
56	A	88.9	Confident	72.5	Confident	67 Å²	67	64.8 Å²	64.8	55%	0.554	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	128	177.3	0	0	0	0	0	111.1	V58 P227 L228	A56-V58 VanDerWaalsContact C-N 3.27Å; A56-V58 PolarHBondContact O-N 3.26Å; A56-P227 HydrophobicContact CB-CG 3.95Å; A56-L228 HydrophobicContact CB-CD1 4.41Å; A56-L228 HydrophobicContact CB-CG 4.27Å
57	G	84.1	Confident	71.2	Confident	7 Å²	7	61.5 Å²	61.5	7%	0.072	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	16.1	-178.7	0	0	0	0	0	114.1	G55 S59 G60 D226	G55-G57 PolarHBondContact O-N 3.15Å; G57-S59 PolarHBondContact O-N 2.92Å; G57-G60 CarbonylContact O-C 3.26Å; G57-G60 PolarHBondContact O-N 3.27Å; G57-G60 VanDerWaalsContact O-N 3.14Å; G57-D226 WeakPolarHBondContact CA-OD2 3.2Å; G57-D226 VanDerWaalsContact N-CG 3.35Å; G57-D226 PolarHBondContact N-OD1 2.83Å; G57-D226 VanDerWaalsContact N-OD1 3.13Å; G57-D226 PolarHBondContact N-OD2 2.87Å
58	V	82.8	Confident	70.2	Confident	13 Å²	13	62 Å²	62	8%	0.079	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-27.1	177.5	68.5	0	0	0	0	112.5	R53 G55 A56 I224 D226	R53-V58 HydrophobicContact CB-CG2 4.42Å; R53-V58 HydrophobicContact CG-CG2 3.62Å; G55-V58 VanDerWaalsContact O-CB 3.22Å; G55-V58 WeakPolarHBondContact O-CB 3.45Å; G55-V58 WeakPolarHBondContact O-CG1 3.48Å; G55-V58 PolarHBondContact O-N 3.03Å; A56-V58 VanDerWaalsContact C-N 3.27Å; A56-V58 PolarHBondContact O-N 3.26Å; V58-I224 HydrophobicContact CB-CG2 4.39Å; V58-I224 HydrophobicContact CG1-CG2 3.54Å; V58-I224 HydrophobicContact CG2-CG2 4.15Å; V58-D226 HydrophobicContact CG1-CB 3.76Å; V58-D226 PolarHBondContact N-OD2 2.77Å
59	S	71.3	Confident	70.1	Confident	8 Å²	8	62.4 Å²	62.4	6%	0.056	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-18.9	174.5	65.1	0	0	0	0	113.1	G57 D226 H229	G57-S59 PolarHBondContact O-N 2.92Å; S59-D226 PolarHBondContact N-OD2 3.34Å; S59-D226 PolarHBondContact OG-OD2 2.62Å; S59-H229 WeakPolarHBondContact CB-CE1 3.32Å; S59-H229 WeakPolarHBondContact CB-NE2 3.37Å; S59-H229 PolarHBondContact OG-CE1 2.72Å; S59-H229 PolarHBondContact OG-NE2 2.74Å
60	G	61.8	Low	70.1	Confident	12 Å²	12	58 Å²	58	12%	0.124	30%	0.304	C	S	.	.	S	Bend	trans	-122	-161.2	-165.3	0	0	0	0	0	115.6	G57 T62	G57-G60 CarbonylContact O-C 3.26Å; G57-G60 PolarHBondContact O-N 3.27Å; G57-G60 VanDerWaalsContact O-N 3.14Å; G60-T62 VanDerWaalsContact C-N 3.32Å; G60-T62 PolarHBondContact O-N 3.4Å
61	F	40.5	Very low	69.7	Low	147 Å²	147	61.1 Å²	61.1	65%	0.645	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-31.9	-165.4	-168.2	-75.4	0	0	0	115.5	R101	F61-R101 VanDerWaalsContact CD2-NH2 3.29Å; F61-R101 VanDerWaalsContact CE2-NH1 3.33Å
62	T	38	Very low	69.2	Low	112 Å²	112	62.2 Å²	62.2	69%	0.687	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-11.7	-166.5	46.3	0	0	0	0	114.2	G60	G60-T62 VanDerWaalsContact C-N 3.32Å; G60-T62 PolarHBondContact O-N 3.4Å
63	C	43.3	Very low	68.7	Low	29 Å²	29	63.6 Å²	63.6	20%	0.196	33%	0.331	C	S	.	.			trans	-86.1	124.5	178.6	-166.7	0	0	0	0	111.6	V65 R66	C63-V65 PolarHBondContact O-N 3.3Å; C63-V65 PolarHBondContact SG-N 3.29Å; C63-R66 WeakPolarHBondContact O-CG 3.32Å
64	Q	37.3	Very low	68.2	Low	173 Å²	173	63.3 Å²	63.3	81%	0.808	35%	0.345	S	S	*	.	S	Bend	trans	-62.7	-21.8	168.8	-71.7	177	-6	0	0	112.1	R66	Q64-R66 VanDerWaalsContact C-N 3.3Å; Q64-R66 PolarHBondContact O-N 3.01Å
65	V	45.9	Very low	67.8	Low	74 Å²	74	59.3 Å²	59.3	45%	0.448	33%	0.332	S	S	.	.	S	Bend	trans	-95.7	53.6	177.3	-162.5	0	0	0	0	110.4	R53 C63	R53-V65 PolarHBondContact NH1-O 2.94Å; C63-V65 PolarHBondContact O-N 3.3Å; C63-V65 PolarHBondContact SG-N 3.29Å
66	R	55.6	Low	67.6	Low	126 Å²	126	65.5 Å²	65.5	48%	0.475	36%	0.355	S	S	.	.			trans	-43.7	171.3	174.2	-54.2	176.6	-167.1	110.5	0.7	110.3	C63 Q64 Q68	C63-R66 WeakPolarHBondContact O-CG 3.32Å; Q64-R66 VanDerWaalsContact C-N 3.3Å; Q64-R66 PolarHBondContact O-N 3.01Å; R66-Q68 HydrophobicContact CB-CB 4.44Å; R66-Q68 WeakPolarHBondContact O-CA 3.33Å; R66-Q68 VanDerWaalsContact O-CB 3.29Å; R66-Q68 WeakPolarHBondContact O-CB 3.24Å; R66-Q68 PolarHBondContact O-N 2.89Å
67	L	60.8	Low	67.7	Low	11 Å²	11	63 Å²	63	6%	0.058	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	20.6	162.7	-69.8	170.4	0	0	0	114.1	D69 L70 V95 L99 I184 I224	L67-D69 PolarHBondContact O-N 3.23Å; L67-D69 VanDerWaalsContact O-N 3.08Å; L67-L70 HydrophobicContact CB-CD1 3.91Å; L67-L70 HydrophobicContact CB-CG 4.17Å; L67-L70 HydrophobicContact CD1-CD1 4.08Å; L67-L70 HydrophobicContact CD2-CD1 4.26Å; L67-L70 HydrophobicContact CD2-CG 4.37Å; L67-L70 HydrophobicContact CG-CD1 4.32Å; L67-L70 WeakPolarHBondContact O-CA 3.24Å; L67-L70 WeakPolarHBondContact O-CB 3.5Å; L67-L70 PolarHBondContact O-N 3.17Å; L67-V95 HydrophobicContact CD1-CG1 4.25Å; L67-L99 HydrophobicContact CD1-CD2 4.28Å; L67-L99 HydrophobicContact CD1-CG 4.33Å; L67-I184 HydrophobicContact CD2-CD1 4.23Å; L67-I224 HydrophobicContact CD2-CD1 3.94Å
68	Q	65	Low	68.1	Low	65 Å²	65	62.7 Å²	62.7	30%	0.304	33%	0.329	S	S	.	.	H	α-helix	trans	-37.5	-27.3	147.9	-155.1	112.4	49.7	0	0	113.3	R66 L70 Q71 N72	R66-Q68 HydrophobicContact CB-CB 4.44Å; R66-Q68 WeakPolarHBondContact O-CA 3.33Å; R66-Q68 VanDerWaalsContact O-CB 3.29Å; R66-Q68 WeakPolarHBondContact O-CB 3.24Å; R66-Q68 PolarHBondContact O-N 2.89Å; Q68-L70 PolarHBondContact O-N 3.43Å; Q68-Q71 CarbonylContact O-C 3.56Å; Q68-Q71 WeakPolarHBondContact O-CA 3.36Å; Q68-Q71 WeakPolarHBondContact O-CB 3.44Å; Q68-Q71 PolarHBondContact O-N 2.59Å; Q68-N72 WeakPolarHBondContact O-CB 3.43Å; Q68-N72 PolarHBondContact O-N 2.87Å; Q68-N72 PolarHBondContact O-ND2 3.45Å
69	D	75	Confident	68.8	Low	30 Å²	30	62 Å²	62	16%	0.16	33%	0.325	C	S	.	.	H	α-helix	trans	-53.7	-41.7	166.9	-58.9	-60.7	0	0	0	111.7	R53 L67 Q71 N72 L73	R53-D69 IonicContact CZ-OD1 3.71Å; R53-D69 IonicContact CZ-OD2 3.46Å; R53-D69 IonicContact NH1-OD2 2.7Å; R53-D69 PolarHBondContact NH1-OD2 3.4Å; R53-D69 IonicContact NH2-OD1 3.39Å; R53-D69 PolarHBondContact NH2-OD1 2.93Å; R53-D69 IonicContact NH2-OD2 3.73Å; R53-D69 PolarHBondContact NH2-OD2 3.14Å; L67-D69 PolarHBondContact O-N 3.23Å; L67-D69 VanDerWaalsContact O-N 3.08Å; D69-Q71 VanDerWaalsContact C-N 3.34Å; D69-Q71 PolarHBondContact O-N 3.32Å; D69-N72 PolarHBondContact O-N 3.24Å; D69-L73 VanDerWaalsContact O-CB 3.3Å; D69-L73 WeakPolarHBondContact O-CB 3.04Å; D69-L73 WeakPolarHBondContact O-CD1 3.37Å; D69-L73 WeakPolarHBondContact O-CG 3.22Å; D69-L73 PolarHBondContact O-N 2.8Å
70	L	75.3	Confident	69.9	Low	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63.8	-38.6	174.5	-62.3	175.3	0	0	0	111.8	L67 Q68 L73 G74 A75 V78 L99 V135 V137 I184	L67-L70 HydrophobicContact CB-CD1 3.91Å; L67-L70 HydrophobicContact CB-CG 4.17Å; L67-L70 HydrophobicContact CD1-CD1 4.08Å; L67-L70 HydrophobicContact CD2-CD1 4.26Å; L67-L70 HydrophobicContact CD2-CG 4.37Å; L67-L70 HydrophobicContact CG-CD1 4.32Å; L67-L70 WeakPolarHBondContact O-CA 3.24Å; L67-L70 WeakPolarHBondContact O-CB 3.5Å; L67-L70 PolarHBondContact O-N 3.17Å; Q68-L70 PolarHBondContact O-N 3.43Å; L70-L73 PolarHBondContact O-N 3.37Å; L70-G74 PolarHBondContact O-N 2.89Å; L70-A75 HydrophobicContact CB-CB 4.04Å; L70-A75 HydrophobicContact CD2-CB 4.37Å; L70-A75 WeakPolarHBondContact O-CB 3.08Å; L70-A75 PolarHBondContact O-N 3.13Å; L70-V78 HydrophobicContact CD1-CG2 4.33Å; L70-V78 HydrophobicContact CD2-CG2 4.47Å; L70-L99 HydrophobicContact CD1-CD2 3.37Å; L70-V135 HydrophobicContact CD2-CB 4.23Å; L70-V135 HydrophobicContact CD2-CG1 3.49Å; L70-V135 VanDerWaalsContact CD2-CG1 3.49Å; L70-V137 HydrophobicContact CD1-CG2 4.48Å; L70-V137 HydrophobicContact CD2-CG2 4.3Å; L70-I184 HydrophobicContact CD2-CD1 3.53Å; L70-I184 HydrophobicContact CG-CD1 4.06Å
71	Q	77.9	Confident	71.6	Confident	78 Å²	78	61.1 Å²	61.1	36%	0.364	32%	0.317	S	S	.	.	H	α-helix	trans	-68.1	-40.6	174.7	-68	-179.1	-18.3	0	0	111.9	Q68 D69 L73 G74 N102	Q68-Q71 CarbonylContact O-C 3.56Å; Q68-Q71 WeakPolarHBondContact O-CA 3.36Å; Q68-Q71 WeakPolarHBondContact O-CB 3.44Å; Q68-Q71 PolarHBondContact O-N 2.59Å; D69-Q71 VanDerWaalsContact C-N 3.34Å; D69-Q71 PolarHBondContact O-N 3.32Å; Q71-L73 VanDerWaalsContact C-N 3.27Å; Q71-L73 PolarHBondContact O-N 3.31Å; Q71-G74 WeakPolarHBondContact O-CA 3.05Å; Q71-G74 PolarHBondContact O-N 2.92Å; Q71-N102 PolarHBondContact NE2-O 3.19Å; Q71-N102 VanDerWaalsContact NE2-O 3.12Å; Q71-N102 PolarHBondContact NE2-OD1 3.22Å
72	N	81.3	Confident	74.3	Confident	128 Å²	128	54.1 Å²	54.1	68%	0.684	29%	0.286	S	S	*	.	H	α-helix	trans	-66.4	-32	176.3	-67.2	-18.5	0	0	0	111.6	Q68 D69 G74	Q68-N72 WeakPolarHBondContact O-CB 3.43Å; Q68-N72 PolarHBondContact O-N 2.87Å; Q68-N72 PolarHBondContact O-ND2 3.45Å; D69-N72 PolarHBondContact O-N 3.24Å; N72-G74 PolarHBondContact O-N 3.48Å
73	L	82	Confident	77	Confident	83 Å²	83	49.7 Å²	49.7	44%	0.435	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-5.8	170.7	-70.2	169.3	0	0	0	112.6	D69 L70 Q71 A75 P182	D69-L73 VanDerWaalsContact O-CB 3.3Å; D69-L73 WeakPolarHBondContact O-CB 3.04Å; D69-L73 WeakPolarHBondContact O-CD1 3.37Å; D69-L73 WeakPolarHBondContact O-CG 3.22Å; D69-L73 PolarHBondContact O-N 2.8Å; L70-L73 PolarHBondContact O-N 3.37Å; Q71-L73 VanDerWaalsContact C-N 3.27Å; Q71-L73 PolarHBondContact O-N 3.31Å; L73-A75 VanDerWaalsContact C-N 3.25Å; L73-A75 PolarHBondContact O-N 2.84Å; L73-P182 HydrophobicContact CD1-CB 4.1Å; L73-P182 HydrophobicContact CD2-CG 4.27Å
74	G	83	Confident	79.4	Confident	49 Å²	49	55.5 Å²	55.5	51%	0.505	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	26.6	-177	0	0	0	0	0	113.4	L70 Q71 N72 Q76	L70-G74 PolarHBondContact O-N 2.89Å; Q71-G74 WeakPolarHBondContact O-CA 3.05Å; Q71-G74 PolarHBondContact O-N 2.92Å; N72-G74 PolarHBondContact O-N 3.48Å; G74-Q76 PolarHBondContact O-N 3.13Å
75	A	84.9	Confident	82	Confident	12 Å²	12	50.8 Å²	50.8	10%	0.099	26%	0.259	C	S	.	.			trans	-63.8	121.7	-175.1	0	0	0	0	0	111.2	L70 L73 V78 V135	L70-A75 HydrophobicContact CB-CB 4.04Å; L70-A75 HydrophobicContact CD2-CB 4.37Å; L70-A75 WeakPolarHBondContact O-CB 3.08Å; L70-A75 PolarHBondContact O-N 3.13Å; L73-A75 VanDerWaalsContact C-N 3.25Å; L73-A75 PolarHBondContact O-N 2.84Å; A75-V78 HydrophobicContact CB-CG2 4.2Å; A75-V135 HydrophobicContact CB-CB 4.18Å; A75-V135 HydrophobicContact CB-CG2 3.61Å
76	Q	84.6	Confident	84.2	Confident	151 Å²	151	47.7 Å²	47.7	71%	0.706	24%	0.241	S	C	*	.	S	Bend	trans	-102.5	-41.6	176.3	-59.5	-171	1.6	0	0	111.4	G74 R105 D134	G74-Q76 PolarHBondContact O-N 3.13Å; Q76-R105 WeakPolarHBondContact O-CB 3.37Å; Q76-D134 WeakPolarHBondContact CB-OD2 3.43Å; Q76-D134 PolarHBondContact N-OD2 3.46Å
77	N	91.1	Very high	86	Confident	15 Å²	15	43.1 Å²	43.1	8%	0.08	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	114.2	179.3	-169.4	27.3	0	0	0	111.6	R105 S132 F133 D134	N77-R105 WeakPolarHBondContact CA-O 3.35Å; N77-S132 WeakPolarHBondContact CB-O 3.34Å; N77-S132 PolarHBondContact ND2-O 2.82Å; N77-F133 WeakPolarHBondContact ND2-CD1 3.46Å; N77-F133 WeakPolarHBondContact O-CA 3.48Å; N77-D134 PolarHBondContact N-OD2 3.38Å; N77-D134 PolarHBondContact O-N 3.11Å
78	V	93.2	Very high	87.5	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.3	-176.8	176	0	0	0	0	111.5	L70 A75 V104 R105 F106 Q107 V135 V137	L70-V78 HydrophobicContact CD1-CG2 4.33Å; L70-V78 HydrophobicContact CD2-CG2 4.47Å; A75-V78 HydrophobicContact CB-CG2 4.2Å; V78-V104 HydrophobicContact CB-CG1 4.38Å; V78-V104 HydrophobicContact CG2-CG1 3.46Å; V78-V104 VanDerWaalsContact CG2-CG1 3.46Å; V78-R105 PolarHBondContact N-O 3.16Å; V78-F106 HydrophobicContact CB-CB 3.96Å; V78-F106 HydrophobicContact CG1-CB 4.47Å; V78-F106 CarbonylContact O-C 3.53Å; V78-F106 VanDerWaalsContact O-CA 3.24Å; V78-F106 WeakPolarHBondContact O-CA 3.44Å; V78-Q107 PolarHBondContact O-N 3.16Å; V78-V135 WeakPolarHBondContact CA-O 3.39Å; V78-V135 HydrophobicContact CG2-CB 4.43Å; V78-V137 HydrophobicContact CG1-CB 4.2Å; V78-V137 HydrophobicContact CG1-CG2 3.6Å
79	C	96.4	Very high	88.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	108.9	166.4	-169	0	0	0	0	109	M81 F133 V135 F136 V137	C79-M81 VanDerWaalsContact SG-CE 3.57Å; C79-F133 HydrophobicContact CB-CB 3.96Å; C79-F133 HydrophobicContact CB-CD1 3.64Å; C79-F133 HydrophobicContact CB-CD2 3.78Å; C79-F133 HydrophobicContact CB-CE1 4.01Å; C79-F133 HydrophobicContact CB-CE2 4.12Å; C79-F133 HydrophobicContact CB-CG 3.51Å; C79-F133 HydrophobicContact CB-CZ 4.23Å; C79-V135 PolarHBondContact N-O 2.96Å; C79-F136 HydrophobicContact CB-CD1 3.48Å; C79-F136 VanDerWaalsContact CB-CD1 3.48Å; C79-F136 HydrophobicContact CB-CE1 3.59Å; C79-F136 HydrophobicContact CB-CG 4.2Å; C79-F136 HydrophobicContact CB-CZ 4.4Å; C79-F136 WeakPolarHBondContact O-CA 3.26Å; C79-V137 PolarHBondContact O-N 3.14Å
80	L	95.9	Very high	89.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.2	177.8	-178	60.3	0	0	0	109.3	M92 V95 L96 L99 F106 Q107 V108 F109 V137 V139	L80-M92 HydrophobicContact CD2-CE 3.24Å; L80-M92 HydrophobicContact CD2-SD 4.02Å; L80-M92 HydrophobicContact CG-CE 3.75Å; L80-M92 HydrophobicContact CG-SD 4.37Å; L80-V95 HydrophobicContact CD1-CG1 4.07Å; L80-V95 HydrophobicContact CD2-CG1 4.44Å; L80-L96 HydrophobicContact CD2-CD2 3.69Å; L80-L96 HydrophobicContact CD2-CG 4.42Å; L80-L99 HydrophobicContact CD2-CD1 3.89Å; L80-F106 HydrophobicContact CD2-CD2 4.48Å; L80-Q107 PolarHBondContact N-O 3.42Å; L80-V108 HydrophobicContact CB-CG2 4.42Å; L80-V108 HydrophobicContact CD2-CG2 4.1Å; L80-V108 CarbonylContact O-C 3.59Å; L80-V108 WeakPolarHBondContact O-CA 3.46Å; L80-F109 PolarHBondContact O-N 3.14Å; L80-V137 CarbonylContact C-O 3.21Å; L80-V137 WeakPolarHBondContact CA-O 3.43Å; L80-V137 HydrophobicContact CD1-CB 3.71Å; L80-V137 HydrophobicContact CD1-CG1 3.56Å; L80-V139 HydrophobicContact CD1-CG2 3.76Å
81	M	97.7	Very high	90.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.1	-179.6	-62.6	-162.7	165.3	0	0	111.5	C79 F109 A124 F127 A128 F136 V137 V139 V144 C148 A151	C79-M81 VanDerWaalsContact SG-CE 3.57Å; M81-F109 WeakPolarHBondContact CA-O 3.29Å; M81-F109 HydrophobicContact CG-CB 4.25Å; M81-A124 HydrophobicContact CE-CB 4.31Å; M81-F127 HydrophobicContact CE-CD1 4.35Å; M81-A128 HydrophobicContact CE-CB 4.39Å; M81-F136 HydrophobicContact CE-CE1 4.46Å; M81-V137 PolarHBondContact N-O 2.92Å; M81-V139 PolarHBondContact O-N 2.9Å; M81-V144 HydrophobicContact CB-CG1 4.47Å; M81-V144 WeakPolarHBondContact O-CG1 3.39Å; M81-C148 HydrophobicContact CB-CB 4.19Å; M81-C148 HydrophobicContact CG-CB 4.37Å; M81-C148 VanDerWaalsContact SD-CA 3.56Å; M81-C148 HydrophobicContact SD-CB 3.86Å; M81-A151 HydrophobicContact CE-CB 3.35Å; M81-A151 HydrophobicContact SD-CB 3.89Å
82	T	97.2	Very high	91	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.261	C	S	.	.			trans	-155.1	174.7	178	-163.7	0	0	0	0	110.7	V86 M92 V108 F109 D110 V112 V139	T82-V86 WeakPolarHBondContact OG1-CG1 3.32Å; T82-M92 HydrophobicContact CG2-CE 3.88Å; T82-M92 HydrophobicContact CG2-SD 4.1Å; T82-V108 HydrophobicContact CG2-CG1 4.37Å; T82-F109 PolarHBondContact N-O 3.11Å; T82-D110 HydrophobicContact CG2-CB 3.78Å; T82-D110 CarbonylContact O-C 3.22Å; T82-D110 VanDerWaalsContact O-CA 3.24Å; T82-D110 WeakPolarHBondContact O-CA 3.46Å; T82-V112 WeakPolarHBondContact O-CB 3.5Å; T82-V112 WeakPolarHBondContact O-CG2 3.32Å; T82-V112 PolarHBondContact O-N 3.48Å; T82-V139 WeakPolarHBondContact CB-O 3.39Å; T82-V139 PolarHBondContact OG1-O 3.13Å
83	D	94.6	Very high	91.4	Very high	19 Å²	19	49 Å²	49	10%	0.102	25%	0.251	C	S	.	.			trans	-103	164.8	171	69	73	0	0	0	111.3	T85 V86 S87 D110 V112 V144	D83-T85 PolarHBondContact O-N 3.22Å; D83-T85 VanDerWaalsContact O-N 3.15Å; D83-T85 VanDerWaalsContact OD1-CA 3.32Å; D83-T85 WeakPolarHBondContact OD1-CA 3.45Å; D83-T85 WeakPolarHBondContact OD1-CB 3.47Å; D83-T85 PolarHBondContact OD1-N 2.69Å; D83-V86 PolarHBondContact O-N 3.13Å; D83-V86 PolarHBondContact OD1-N 2.57Å; D83-V86 WeakPolarHBondContact OD2-CG2 3.4Å; D83-S87 WeakPolarHBondContact O-CB 3.41Å; D83-S87 PolarHBondContact O-N 3.41Å; D83-D110 CarbonylContact C-O 3.42Å; D83-D110 VanDerWaalsContact C-O 3.26Å; D83-V112 HydrophobicContact CB-CB 4.34Å; D83-V112 VanDerWaalsContact CB-O 3.31Å; D83-V112 WeakPolarHBondContact CB-O 3.47Å; D83-V144 HydrophobicContact CB-CG2 4.04Å
84	R	93	Very high	91.7	Very high	152 Å²	152	46.1 Å²	46.1	57%	0.574	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.4	-176	-63.1	-175.2	-176.3	-168.8	0.2	114.2	S87 D110 D111	R84-S87 PolarHBondContact O-OG 3.33Å; R84-S87 VanDerWaalsContact O-OG 3.13Å; R84-D110 VanDerWaalsContact CG-O 3.32Å; R84-D110 WeakPolarHBondContact CG-O 3.49Å; R84-D110 PolarHBondContact N-O 3.19Å; R84-D111 IonicContact CZ-OD1 3.19Å; R84-D111 IonicContact NE-OD1 2.72Å; R84-D111 PolarHBondContact NE-OD1 3.27Å; R84-D111 IonicContact NH2-OD1 3.89Å; R84-D111 PolarHBondContact NH2-OD1 3.2Å; R84-D111 IonicContact NH2-OD2 3.12Å; R84-D111 PolarHBondContact NH2-OD2 3.04Å
85	T	91.4	Very high	92	Very high	73 Å²	73	43.9 Å²	43.9	45%	0.448	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-55.3	177.5	-54.5	0	0	0	0	108.9	D83 S87 R88 L89	D83-T85 PolarHBondContact O-N 3.22Å; D83-T85 VanDerWaalsContact O-N 3.15Å; D83-T85 VanDerWaalsContact OD1-CA 3.32Å; D83-T85 WeakPolarHBondContact OD1-CA 3.45Å; D83-T85 WeakPolarHBondContact OD1-CB 3.47Å; D83-T85 PolarHBondContact OD1-N 2.69Å; T85-S87 PolarHBondContact O-N 2.76Å; T85-R88 PolarHBondContact O-N 3.04Å; T85-L89 HydrophobicContact CG2-CD1 4.46Å; T85-L89 WeakPolarHBondContact O-CG 3.17Å
86	V	92.4	Very high	92.2	Very high	10 Å²	10	45.6 Å²	45.6	6%	0.061	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-64.4	-29.1	-177.5	176.9	0	0	0	0	112.1	T82 D83 R88 L89 M92 V139 T188	T82-V86 WeakPolarHBondContact OG1-CG1 3.32Å; D83-V86 PolarHBondContact O-N 3.13Å; D83-V86 PolarHBondContact OD1-N 2.57Å; D83-V86 WeakPolarHBondContact OD2-CG2 3.4Å; V86-R88 PolarHBondContact O-N 3.2Å; V86-L89 HydrophobicContact CG2-CD1 4.3Å; V86-L89 PolarHBondContact O-N 3Å; V86-M92 VanDerWaalsContact O-CB 3.23Å; V86-M92 WeakPolarHBondContact O-CB 3.48Å; V86-V139 HydrophobicContact CG1-CG1 4.26Å; V86-T188 HydrophobicContact CG1-CG2 4.18Å
87	S	93.8	Very high	92.3	Very high	30 Å²	30	42.6 Å²	42.6	21%	0.21	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-56.7	-23.8	176.9	72.9	0	0	0	0	113.7	D83 R84 T85	D83-S87 WeakPolarHBondContact O-CB 3.41Å; D83-S87 PolarHBondContact O-N 3.41Å; R84-S87 PolarHBondContact O-OG 3.33Å; R84-S87 VanDerWaalsContact O-OG 3.13Å; T85-S87 PolarHBondContact O-N 2.76Å
88	R	92.8	Very high	92	Very high	197 Å²	197	42.3 Å²	42.3	74%	0.743	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-101.1	-4.8	-179.7	-56.1	176.9	-173.3	-179	0.8	113.5	T85 V86	T85-R88 PolarHBondContact O-N 3.04Å; V86-R88 PolarHBondContact O-N 3.2Å
89	L	91.8	Very high	91.6	Very high	49 Å²	49	42.3 Å²	42.3	26%	0.257	21%	0.208	S	C	.	.	S	Bend	trans	-91.5	159.7	-175.4	-64.1	-178.6	0	0	0	112.2	T85 V86 P91 M92 Q93	T85-L89 HydrophobicContact CG2-CD1 4.46Å; T85-L89 WeakPolarHBondContact O-CG 3.17Å; V86-L89 HydrophobicContact CG2-CD1 4.3Å; V86-L89 PolarHBondContact O-N 3Å; L89-P91 VanDerWaalsContact C-N 3.32Å; L89-M92 PolarHBondContact O-N 2.91Å; L89-M92 VanDerWaalsContact O-N 3.17Å; L89-Q93 PolarHBondContact O-N 3.48Å
90	P	90.9	Very high	91.2	Very high	84 Å²	84	46.9 Å²	46.9	55%	0.545	24%	0.235	S	C	.	.	H	α-helix	trans	-51.2	-36.9	177.4	-27.4	35.1	0	0	0	116	M92 Q93 A94	P90-M92 VanDerWaalsContact C-N 3.32Å; P90-M92 PolarHBondContact O-N 3.26Å; P90-Q93 PolarHBondContact O-N 3.42Å; P90-A94 PolarHBondContact O-N 2.93Å
91	P	90.8	Very high	90.5	Very high	2 Å²	2	53 Å²	53	1%	0.013	26%	0.258	C	S	.	.	H	α-helix	trans	-57.6	-41.5	177.8	-27.5	36.9	0	0	0	113.8	L89 V95 V139 T188 H229	L89-P91 VanDerWaalsContact C-N 3.32Å; P91-V95 WeakPolarHBondContact O-CG2 3.41Å; P91-V95 PolarHBondContact O-N 2.76Å; P91-V139 HydrophobicContact CB-CG1 4.23Å; P91-T188 HydrophobicContact CB-CG2 3.62Å; P91-T188 HydrophobicContact CG-CG2 3.88Å; P91-H229 HydrophobicContact CB-CB 4.3Å; P91-H229 HydrophobicContact CG-CB 3.83Å
92	M	92.3	Very high	89.7	Confident	3 Å²	3	54 Å²	54	2%	0.015	26%	0.264	C	S	.	.	H	α-helix	trans	-70.9	-40.5	178.7	-175.5	66.8	172.6	0	0	111.3	L80 T82 V86 L89 P90 A94 V95 L96 V108 V139	L80-M92 HydrophobicContact CD2-CE 3.24Å; L80-M92 HydrophobicContact CD2-SD 4.02Å; L80-M92 HydrophobicContact CG-CE 3.75Å; L80-M92 HydrophobicContact CG-SD 4.37Å; T82-M92 HydrophobicContact CG2-CE 3.88Å; T82-M92 HydrophobicContact CG2-SD 4.1Å; V86-M92 VanDerWaalsContact O-CB 3.23Å; V86-M92 WeakPolarHBondContact O-CB 3.48Å; L89-M92 PolarHBondContact O-N 2.91Å; L89-M92 VanDerWaalsContact O-N 3.17Å; P90-M92 VanDerWaalsContact C-N 3.32Å; P90-M92 PolarHBondContact O-N 3.26Å; M92-A94 VanDerWaalsContact C-N 3.32Å; M92-A94 PolarHBondContact O-N 3.45Å; M92-V95 PolarHBondContact O-N 3.19Å; M92-L96 HydrophobicContact CE-CD1 4.03Å; M92-L96 HydrophobicContact CE-CD2 3.95Å; M92-L96 HydrophobicContact CE-CG 3.93Å; M92-L96 HydrophobicContact CG-CD1 3.91Å; M92-L96 HydrophobicContact CG-CG 4.2Å; M92-L96 WeakPolarHBondContact O-CB 3.43Å; M92-L96 WeakPolarHBondContact O-CG 3.24Å; M92-L96 PolarHBondContact O-N 2.92Å; M92-L96 HydrophobicContact SD-CG 4.43Å; M92-V108 HydrophobicContact CE-CG1 3.79Å; M92-V108 HydrophobicContact CE-CG2 4.41Å; M92-V139 HydrophobicContact SD-CB 4.19Å; M92-V139 HydrophobicContact SD-CG1 4.46Å; M92-V139 HydrophobicContact SD-CG2 4.35Å
93	Q	90.3	Very high	89.1	Confident	101 Å²	101	65.2 Å²	65.2	47%	0.472	31%	0.306	S	S	.	.	H	α-helix	trans	-59.1	-44.9	177.1	-65.3	176.3	0.6	0	0	111.2	L89 P90 V95 L96 E97	L89-Q93 PolarHBondContact O-N 3.48Å; P90-Q93 PolarHBondContact O-N 3.42Å; Q93-V95 VanDerWaalsContact C-N 3.31Å; Q93-V95 PolarHBondContact O-N 3.21Å; Q93-L96 PolarHBondContact O-N 2.86Å; Q93-E97 WeakPolarHBondContact O-CB 3.17Å; Q93-E97 WeakPolarHBondContact O-CG 3.46Å; Q93-E97 PolarHBondContact O-N 2.73Å
94	A	87.6	Confident	88.7	Confident	22 Å²	22	65 Å²	65	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-56.6	-43.9	176.8	0	0	0	0	0	112.3	P90 M92 S98	P90-A94 PolarHBondContact O-N 2.93Å; M92-A94 VanDerWaalsContact C-N 3.32Å; M92-A94 PolarHBondContact O-N 3.45Å; A94-S98 WeakPolarHBondContact O-CB 3.34Å; A94-S98 PolarHBondContact O-N 3.29Å
95	V	88.8	Confident	88.6	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.012	31%	0.308	C	S	.	.	H	α-helix	trans	-69.9	-45.8	178.6	173.4	0	0	0	0	111.8	L67 L80 P91 M92 Q93 E97 S98 L99 V137 V139 V186	L67-V95 HydrophobicContact CD1-CG1 4.25Å; L80-V95 HydrophobicContact CD1-CG1 4.07Å; L80-V95 HydrophobicContact CD2-CG1 4.44Å; P91-V95 WeakPolarHBondContact O-CG2 3.41Å; P91-V95 PolarHBondContact O-N 2.76Å; M92-V95 PolarHBondContact O-N 3.19Å; Q93-V95 VanDerWaalsContact C-N 3.31Å; Q93-V95 PolarHBondContact O-N 3.21Å; V95-E97 PolarHBondContact O-N 2.97Å; V95-S98 WeakPolarHBondContact O-CB 3.48Å; V95-S98 PolarHBondContact O-N 3.31Å; V95-L99 HydrophobicContact CG1-CD1 4.11Å; V95-L99 WeakPolarHBondContact O-CG 3.2Å; V95-L99 PolarHBondContact O-N 3.04Å; V95-V137 HydrophobicContact CG1-CG1 4.3Å; V95-V139 HydrophobicContact CB-CG2 4.15Å; V95-V139 HydrophobicContact CG1-CG2 4.01Å; V95-V139 HydrophobicContact CG2-CG1 4.48Å; V95-V139 HydrophobicContact CG2-CG2 3.83Å; V95-V186 HydrophobicContact CG2-CG1 4.49Å; V95-V186 HydrophobicContact CG2-CG2 4.38Å
96	L	90.1	Very high	88.6	Confident	48 Å²	48	65 Å²	65	25%	0.251	30%	0.299	S	S	.	.	H	α-helix	trans	-60.3	-46.5	178.9	-75.3	174.3	0	0	0	112	L80 M92 Q93 S98 L99 V100 F106 V108	L80-L96 HydrophobicContact CD2-CD2 3.69Å; L80-L96 HydrophobicContact CD2-CG 4.42Å; M92-L96 HydrophobicContact CE-CD1 4.03Å; M92-L96 HydrophobicContact CE-CD2 3.95Å; M92-L96 HydrophobicContact CE-CG 3.93Å; M92-L96 HydrophobicContact CG-CD1 3.91Å; M92-L96 HydrophobicContact CG-CG 4.2Å; M92-L96 WeakPolarHBondContact O-CB 3.43Å; M92-L96 WeakPolarHBondContact O-CG 3.24Å; M92-L96 PolarHBondContact O-N 2.92Å; M92-L96 HydrophobicContact SD-CG 4.43Å; Q93-L96 PolarHBondContact O-N 2.86Å; L96-S98 VanDerWaalsContact C-N 3.28Å; L96-S98 PolarHBondContact O-N 3.39Å; L96-L99 PolarHBondContact O-N 3.13Å; L96-V100 WeakPolarHBondContact O-CG2 3.08Å; L96-V100 PolarHBondContact O-N 3.23Å; L96-F106 HydrophobicContact CD2-CD2 4.26Å; L96-F106 HydrophobicContact CD2-CE2 3.44Å; L96-F106 VanDerWaalsContact CD2-CE2 3.44Å; L96-F106 HydrophobicContact CD2-CZ 3.71Å; L96-V108 HydrophobicContact CD2-CG2 4.34Å
97	E	86.4	Confident	88.8	Confident	87 Å²	87	67 Å²	67	41%	0.407	31%	0.308	S	S	.	.	H	α-helix	trans	-59.7	-41.4	175.9	-76	-173.2	-160.7	0	0	112	Q93 V95 V100 R101	Q93-E97 WeakPolarHBondContact O-CB 3.17Å; Q93-E97 WeakPolarHBondContact O-CG 3.46Å; Q93-E97 PolarHBondContact O-N 2.73Å; V95-E97 PolarHBondContact O-N 2.97Å; E97-V100 PolarHBondContact O-N 2.82Å; E97-R101 WeakPolarHBondContact O-CB 3.19Å; E97-R101 WeakPolarHBondContact O-CG 3.38Å; E97-R101 PolarHBondContact O-N 2.98Å; E97-R101 IonicContact OE2-CZ 3.67Å; E97-R101 IonicContact OE2-NH1 3.71Å; E97-R101 IonicContact OE2-NH2 2.87Å; E97-R101 PolarHBondContact OE2-NH2 3.13Å
98	S	84.1	Confident	88.9	Confident	10 Å²	10	68.2 Å²	68.2	7%	0.07	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-43.4	177.1	-170.6	0	0	0	0	111.2	A94 V95 L96 N102	A94-S98 WeakPolarHBondContact O-CB 3.34Å; A94-S98 PolarHBondContact O-N 3.29Å; V95-S98 WeakPolarHBondContact O-CB 3.48Å; V95-S98 PolarHBondContact O-N 3.31Å; L96-S98 VanDerWaalsContact C-N 3.28Å; L96-S98 PolarHBondContact O-N 3.39Å; S98-N102 WeakPolarHBondContact O-CB 3.31Å; S98-N102 PolarHBondContact O-N 3.46Å; S98-N102 VanDerWaalsContact O-N 3.16Å; S98-N102 PolarHBondContact O-ND2 2.81Å
99	L	85.9	Confident	89.1	Confident	0 Å²	0	60 Å²	60	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-47.6	176.8	-70.1	169.5	0	0	0	112.5	L67 L70 L80 V95 L96 R101 N102 R103 V104 F106	L67-L99 HydrophobicContact CD1-CD2 4.28Å; L67-L99 HydrophobicContact CD1-CG 4.33Å; L70-L99 HydrophobicContact CD1-CD2 3.37Å; L80-L99 HydrophobicContact CD2-CD1 3.89Å; V95-L99 HydrophobicContact CG1-CD1 4.11Å; V95-L99 WeakPolarHBondContact O-CG 3.2Å; V95-L99 PolarHBondContact O-N 3.04Å; L96-L99 PolarHBondContact O-N 3.13Å; L99-R101 PolarHBondContact O-N 3.34Å; L99-N102 PolarHBondContact O-N 3.34Å; L99-R103 PolarHBondContact O-N 2.91Å; L99-V104 HydrophobicContact CD2-CB 4.13Å; L99-V104 HydrophobicContact CD2-CG1 4.12Å; L99-V104 PolarHBondContact O-N 2.84Å; L99-V104 VanDerWaalsContact O-N 3.17Å; L99-F106 HydrophobicContact CB-CD1 3.72Å; L99-F106 HydrophobicContact CB-CE1 3.84Å; L99-F106 HydrophobicContact CD1-CB 4.18Å; L99-F106 HydrophobicContact CD1-CD1 3.94Å; L99-F106 HydrophobicContact CD1-CD2 4.39Å; L99-F106 HydrophobicContact CD1-CE1 4.43Å; L99-F106 HydrophobicContact CD1-CG 3.92Å; L99-F106 HydrophobicContact CG-CD1 4.37Å
100	V	87.1	Confident	89.3	Confident	95 Å²	95	61.2 Å²	61.2	58%	0.576	29%	0.29	S	S	*	.	H	α-helix	trans	-61.2	-46.1	-179.8	171.5	0	0	0	0	111.1	L96 E97 N102 R103 F106	L96-V100 WeakPolarHBondContact O-CG2 3.08Å; L96-V100 PolarHBondContact O-N 3.23Å; E97-V100 PolarHBondContact O-N 2.82Å; V100-N102 VanDerWaalsContact C-N 3.32Å; V100-N102 PolarHBondContact O-N 2.92Å; V100-R103 PolarHBondContact O-N 2.85Å; V100-R103 VanDerWaalsContact O-N 3.11Å; V100-F106 HydrophobicContact CG2-CE1 3.99Å; V100-F106 HydrophobicContact CG2-CZ 4.24Å
101	R	82	Confident	89.5	Confident	130 Å²	130	60.3 Å²	60.3	49%	0.491	28%	0.28	S	S	.	.	H	α-helix	trans	-65.3	-35.2	179.4	-73.3	-166.3	-164.8	111.6	13.8	113	F61 E97 L99 R103	F61-R101 VanDerWaalsContact CD2-NH2 3.29Å; F61-R101 VanDerWaalsContact CE2-NH1 3.33Å; E97-R101 WeakPolarHBondContact O-CB 3.19Å; E97-R101 WeakPolarHBondContact O-CG 3.38Å; E97-R101 PolarHBondContact O-N 2.98Å; E97-R101 IonicContact OE2-CZ 3.67Å; E97-R101 IonicContact OE2-NH1 3.71Å; E97-R101 IonicContact OE2-NH2 2.87Å; E97-R101 PolarHBondContact OE2-NH2 3.13Å; L99-R101 PolarHBondContact O-N 3.34Å; R101-R103 PolarHBondContact O-N 3.27Å
102	N	80.3	Confident	89.7	Confident	21 Å²	21	60.6 Å²	60.6	11%	0.112	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	2.1	177.3	-72.9	-65.7	0	0	0	113.3	Q71 S98 L99 V100 V104	Q71-N102 PolarHBondContact NE2-O 3.19Å; Q71-N102 VanDerWaalsContact NE2-O 3.12Å; Q71-N102 PolarHBondContact NE2-OD1 3.22Å; S98-N102 WeakPolarHBondContact O-CB 3.31Å; S98-N102 PolarHBondContact O-N 3.46Å; S98-N102 VanDerWaalsContact O-N 3.16Å; S98-N102 PolarHBondContact O-ND2 2.81Å; L99-N102 PolarHBondContact O-N 3.34Å; V100-N102 VanDerWaalsContact C-N 3.32Å; V100-N102 PolarHBondContact O-N 2.92Å; N102-V104 HydrophobicContact CB-CG2 4.02Å; N102-V104 PolarHBondContact O-N 3.47Å
103	R	85.2	Confident	89.8	Confident	235 Å²	235	65.1 Å²	65.1	89%	0.887	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	34	-179.9	-56.6	-179.8	179.7	163.4	-0.7	113	L99 V100 R101	L99-R103 PolarHBondContact O-N 2.91Å; V100-R103 PolarHBondContact O-N 2.85Å; V100-R103 VanDerWaalsContact O-N 3.11Å; R101-R103 PolarHBondContact O-N 3.27Å
104	V	85	Confident	89.7	Confident	15 Å²	15	62.4 Å²	62.4	9%	0.091	29%	0.289	C	S	.	.			trans	-85.6	130	175.9	179.8	0	0	0	0	108.1	V78 L99 N102 F106	V78-V104 HydrophobicContact CB-CG1 4.38Å; V78-V104 HydrophobicContact CG2-CG1 3.46Å; V78-V104 VanDerWaalsContact CG2-CG1 3.46Å; L99-V104 HydrophobicContact CD2-CB 4.13Å; L99-V104 HydrophobicContact CD2-CG1 4.12Å; L99-V104 PolarHBondContact O-N 2.84Å; L99-V104 VanDerWaalsContact O-N 3.17Å; N102-V104 HydrophobicContact CB-CG2 4.02Å; N102-V104 PolarHBondContact O-N 3.47Å; V104-F106 WeakPolarHBondContact O-CD1 3.39Å
105	R	90.8	Very high	89.6	Confident	168 Å²	168	62.7 Å²	62.7	63%	0.634	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	133.4	173.2	176.5	-176.8	174.2	-172.7	-3.2	108.7	Q76 N77 V78	Q76-R105 WeakPolarHBondContact O-CB 3.37Å; N77-R105 WeakPolarHBondContact CA-O 3.35Å; V78-R105 PolarHBondContact N-O 3.16Å
106	F	92.9	Very high	89.6	Confident	57 Å²	57	62.7 Å²	62.7	25%	0.25	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157.2	179.6	63.8	-90	0	0	0	111.2	V78 L80 L96 L99 V100 V104 V108	V78-F106 HydrophobicContact CB-CB 3.96Å; V78-F106 HydrophobicContact CG1-CB 4.47Å; V78-F106 CarbonylContact O-C 3.53Å; V78-F106 VanDerWaalsContact O-CA 3.24Å; V78-F106 WeakPolarHBondContact O-CA 3.44Å; L80-F106 HydrophobicContact CD2-CD2 4.48Å; L96-F106 HydrophobicContact CD2-CD2 4.26Å; L96-F106 HydrophobicContact CD2-CE2 3.44Å; L96-F106 VanDerWaalsContact CD2-CE2 3.44Å; L96-F106 HydrophobicContact CD2-CZ 3.71Å; L99-F106 HydrophobicContact CB-CD1 3.72Å; L99-F106 HydrophobicContact CB-CE1 3.84Å; L99-F106 HydrophobicContact CD1-CB 4.18Å; L99-F106 HydrophobicContact CD1-CD1 3.94Å; L99-F106 HydrophobicContact CD1-CD2 4.39Å; L99-F106 HydrophobicContact CD1-CE1 4.43Å; L99-F106 HydrophobicContact CD1-CG 3.92Å; L99-F106 HydrophobicContact CG-CD1 4.37Å; V100-F106 HydrophobicContact CG2-CE1 3.99Å; V100-F106 HydrophobicContact CG2-CZ 4.24Å; V104-F106 WeakPolarHBondContact O-CD1 3.39Å; F106-V108 HydrophobicContact CD2-CG2 3.75Å; F106-V108 HydrophobicContact CE2-CG2 3.77Å
107	Q	96	Very high	89.8	Confident	52 Å²	52	61 Å²	61	24%	0.243	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143	166.1	-57.4	-168.1	51	0	0	109.3	V78 L80 F127 D131 F133	V78-Q107 PolarHBondContact O-N 3.16Å; L80-Q107 PolarHBondContact N-O 3.42Å; Q107-F127 HydrophobicContact CB-CZ 4.02Å; Q107-D131 PolarHBondContact NE2-OD2 2.8Å; Q107-D131 PolarHBondContact OE1-OD2 2.93Å; Q107-F133 HydrophobicContact CB-CE1 3.85Å; Q107-F133 HydrophobicContact CB-CZ 4.01Å; Q107-F133 HydrophobicContact CG-CE1 3.99Å; Q107-F133 HydrophobicContact CG-CZ 4.31Å
108	V	96.1	Very high	90.1	Very high	54 Å²	54	57.4 Å²	57.4	33%	0.327	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.7	-175.4	-171	0	0	0	0	109.8	L80 T82 M92 L96 F106 D110	L80-V108 HydrophobicContact CB-CG2 4.42Å; L80-V108 HydrophobicContact CD2-CG2 4.1Å; L80-V108 CarbonylContact O-C 3.59Å; L80-V108 WeakPolarHBondContact O-CA 3.46Å; T82-V108 HydrophobicContact CG2-CG1 4.37Å; M92-V108 HydrophobicContact CE-CG1 3.79Å; M92-V108 HydrophobicContact CE-CG2 4.41Å; L96-V108 HydrophobicContact CD2-CG2 4.34Å; F106-V108 HydrophobicContact CD2-CG2 3.75Å; F106-V108 HydrophobicContact CE2-CG2 3.77Å; V108-D110 HydrophobicContact CG1-CB 4.16Å
109	F	97.2	Very high	90.6	Very high	24 Å²	24	58.9 Å²	58.9	11%	0.105	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	102	163.4	-178.7	-93.5	0	0	0	107.6	L80 M81 T82 D111 V112 A124 F127	L80-F109 PolarHBondContact O-N 3.14Å; M81-F109 WeakPolarHBondContact CA-O 3.29Å; M81-F109 HydrophobicContact CG-CB 4.25Å; T82-F109 PolarHBondContact N-O 3.11Å; F109-D111 HydrophobicContact CE1-CB 4.43Å; F109-D111 HydrophobicContact CE2-CB 4.37Å; F109-D111 HydrophobicContact CZ-CB 4.08Å; F109-V112 HydrophobicContact CD1-CG2 3.82Å; F109-V112 HydrophobicContact CE1-CG2 3.78Å; F109-A124 HydrophobicContact CD1-CB 4.4Å; F109-A124 HydrophobicContact CE1-CB 3.84Å; F109-A124 HydrophobicContact CZ-CB 4.02Å; F109-F127 HydrophobicContact CB-CD1 3.79Å; F109-F127 HydrophobicContact CB-CE1 3.72Å; F109-F127 HydrophobicContact CB-CG 4.29Å; F109-F127 HydrophobicContact CB-CZ 4.15Å; F109-F127 HydrophobicContact CD2-CB 3.91Å; F109-F127 HydrophobicContact CD2-CD1 4.06Å; F109-F127 HydrophobicContact CD2-CD2 4.02Å; F109-F127 AromaticContact CD2-CG 3.72Å; F109-F127 HydrophobicContact CD2-CG 3.72Å; F109-F127 HydrophobicContact CE2-CB 4.25Å; F109-F127 HydrophobicContact CG-CD1 4.2Å; F109-F127 HydrophobicContact CG-CG 4.33Å
110	D	96.1	Very high	91	Very high	76 Å²	76	59.3 Å²	59.3	41%	0.406	28%	0.276	S	S	.	.			trans	-102.9	9.2	-175.7	65.3	-22.9	0	0	0	113.5	T82 D83 R84 V108	T82-D110 HydrophobicContact CG2-CB 3.78Å; T82-D110 CarbonylContact O-C 3.22Å; T82-D110 VanDerWaalsContact O-CA 3.24Å; T82-D110 WeakPolarHBondContact O-CA 3.46Å; D83-D110 CarbonylContact C-O 3.42Å; D83-D110 VanDerWaalsContact C-O 3.26Å; R84-D110 VanDerWaalsContact CG-O 3.32Å; R84-D110 WeakPolarHBondContact CG-O 3.49Å; R84-D110 PolarHBondContact N-O 3.19Å; V108-D110 HydrophobicContact CG1-CB 4.16Å
111	D	94.9	Very high	91.4	Very high	64 Å²	64	54.9 Å²	54.9	34%	0.342	25%	0.248	S	C	.	.			trans	-100	28.1	-176.8	-150	22	0	0	0	113.1	R84 F109 R113	R84-D111 IonicContact CZ-OD1 3.19Å; R84-D111 IonicContact NE-OD1 2.72Å; R84-D111 PolarHBondContact NE-OD1 3.27Å; R84-D111 IonicContact NH2-OD1 3.89Å; R84-D111 PolarHBondContact NH2-OD1 3.2Å; R84-D111 IonicContact NH2-OD2 3.12Å; R84-D111 PolarHBondContact NH2-OD2 3.04Å; F109-D111 HydrophobicContact CE1-CB 4.43Å; F109-D111 HydrophobicContact CE2-CB 4.37Å; F109-D111 HydrophobicContact CZ-CB 4.08Å; D111-R113 PolarHBondContact O-N 3.41Å
112	V	95.8	Very high	92.1	Very high	9 Å²	9	53.1 Å²	53.1	6%	0.055	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-68	128	173.7	179.3	0	0	0	0	110.1	T82 D83 F109 V144 T147	T82-V112 WeakPolarHBondContact O-CB 3.5Å; T82-V112 WeakPolarHBondContact O-CG2 3.32Å; T82-V112 PolarHBondContact O-N 3.48Å; D83-V112 HydrophobicContact CB-CB 4.34Å; D83-V112 VanDerWaalsContact CB-O 3.31Å; D83-V112 WeakPolarHBondContact CB-O 3.47Å; F109-V112 HydrophobicContact CD1-CG2 3.82Å; F109-V112 HydrophobicContact CE1-CG2 3.78Å; V112-V144 HydrophobicContact CB-CG2 4.12Å; V112-V144 HydrophobicContact CG1-CG2 4.04Å; V112-T147 HydrophobicContact CG1-CG2 4.3Å; V112-T147 WeakPolarHBondContact CG1-OG1 3.21Å; V112-T147 HydrophobicContact CG2-CG2 4.03Å
113	R	92.9	Very high	92.9	Very high	98 Å²	98	57.3 Å²	57.3	37%	0.37	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-78.5	136.3	175.1	-172.5	-175.4	174.6	100.7	1.8	111.3	D111 H354	D111-R113 PolarHBondContact O-N 3.41Å; R113-H354 PolarHBondContact NH2-CD2 3.13Å; R113-H354 VanDerWaalsContact NH2-CD2 3.31Å; R113-H354 PolarHBondContact NH2-CE1 2.98Å; R113-H354 VanDerWaalsContact NH2-CG 3.32Å; R113-H354 PolarHBondContact NH2-ND1 3.27Å; R113-H354 PolarHBondContact NH2-NE2 2.98Å; R113-H354 VanDerWaalsContact NH2-NE2 3.18Å
114	V	87.8	Confident	93.4	Very high	43 Å²	43	46.1 Å²	46.1	26%	0.261	22%	0.221	S	C	.	.	S	Bend	trans	-68.5	130	166.2	178	0	0	0	0	108.8	V352	V114-V352 HydrophobicContact CB-CG1 4.2Å; V114-V352 HydrophobicContact CG1-CG1 4.49Å; V114-V352 HydrophobicContact CG2-CG1 4.49Å
115	E	85.7	Confident	94	Very high	28 Å²	28	46 Å²	46	13%	0.131	22%	0.22	C	C	.	.	S	Bend	trans	54.5	78.3	-165	-57.1	-64.8	-173.8	0	0	110.3	S143 K210 L356 H359	E115-S143 PolarHBondContact N-OG 3.24Å; E115-S143 VanDerWaalsContact N-OG 3.14Å; E115-K210 IonicContact OE1-NZ 3.4Å; E115-K210 PolarHBondContact OE1-NZ 2.93Å; E115-K210 IonicContact OE2-NZ 2.74Å; E115-K210 PolarHBondContact OE2-NZ 2.81Å; E115-L356 HydrophobicContact CB-CD1 4.46Å; E115-L356 HydrophobicContact CG-CD1 3.58Å; E115-H359 PolarHBondContact OE1-N 3.02Å
116	P	89.6	Confident	94.2	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.019	21%	0.208	C	C	.	.			trans	-67.5	139.7	-168.9	28.7	-33.9	0	0	0	110.2	S120 F121 I201 F202 D203	P116-S120 WeakPolarHBondContact CA-OG 3.46Å; P116-F121 HydrophobicContact CB-CD1 3.69Å; P116-F121 HydrophobicContact CB-CE1 3.39Å; P116-F121 HydrophobicContact CB-CZ 4.44Å; P116-F121 HydrophobicContact CG-CD1 4.23Å; P116-F121 HydrophobicContact CG-CE1 3.43Å; P116-F121 VanDerWaalsContact CG-CE1 3.43Å; P116-F121 HydrophobicContact CG-CZ 4.08Å; P116-I201 WeakPolarHBondContact CG-O 3.42Å; P116-F202 HydrophobicContact CG-CB 4.35Å; P116-F202 CarbonylContact O-C 3.49Å; P116-F202 WeakPolarHBondContact O-CA 3.36Å; P116-F202 WeakPolarHBondContact O-CB 3.48Å; P116-D203 PolarHBondContact O-N 3.14Å
117	T	93.1	Very high	94.4	Very high	11 Å²	11	39.7 Å²	39.7	7%	0.067	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-93.4	166.3	174.2	57.9	0	0	0	0	111.4	S119 S120 F121 D203 E205	T117-S119 WeakPolarHBondContact CB-OG 3.27Å; T117-S119 PolarHBondContact O-N 3.1Å; T117-S119 PolarHBondContact OG1-OG 2.68Å; T117-S120 PolarHBondContact N-OG 3.32Å; T117-S120 PolarHBondContact O-N 3.11Å; T117-S120 PolarHBondContact O-OG 2.96Å; T117-S120 PolarHBondContact OG1-N 2.69Å; T117-S120 VanDerWaalsContact OG1-N 3.13Å; T117-S120 PolarHBondContact OG1-OG 3.28Å; T117-F121 PolarHBondContact O-N 2.77Å; T117-D203 CarbonylContact C-O 3.52Å; T117-D203 WeakPolarHBondContact CA-O 3.41Å; T117-D203 HydrophobicContact CG2-CB 4.3Å; T117-E205 HydrophobicContact CG2-CG 4.09Å
118	D	93.8	Very high	94.4	Very high	12 Å²	12	37.2 Å²	37.2	6%	0.064	19%	0.192	C	C	.	.	H	α-helix	trans	-60.4	-33.2	173.1	72.3	-80	0	0	0	113.1	K122 F162 F202 D203 Y204 E205	D118-K122 WeakPolarHBondContact O-CD 3.48Å; D118-K122 WeakPolarHBondContact O-CG 3.09Å; D118-K122 PolarHBondContact O-N 2.89Å; D118-K122 VanDerWaalsContact O-N 3.08Å; D118-K122 IonicContact OD2-NZ 3.28Å; D118-K122 PolarHBondContact OD2-NZ 2.79Å; D118-F162 HydrophobicContact CB-CE1 3.68Å; D118-F162 HydrophobicContact CB-CZ 3.94Å; D118-F202 HydrophobicContact CB-CD2 3.84Å; D118-F202 HydrophobicContact CB-CE2 3.69Å; D118-D203 PolarHBondContact N-O 3.22Å; D118-Y204 HydrophobicContact CB-CD2 4.02Å; D118-E205 PolarHBondContact OD1-N 3.26Å
119	S	94.8	Very high	94.3	Very high	42 Å²	42	38.9 Å²	38.9	29%	0.294	20%	0.195	S	C	.	.	H	α-helix	trans	-62.1	-51.4	171	43.3	0	0	0	0	112	T117 F121 K122 E123 E205	T117-S119 WeakPolarHBondContact CB-OG 3.27Å; T117-S119 PolarHBondContact O-N 3.1Å; T117-S119 PolarHBondContact OG1-OG 2.68Å; S119-F121 VanDerWaalsContact C-N 3.31Å; S119-F121 PolarHBondContact O-N 2.95Å; S119-K122 WeakPolarHBondContact O-CB 3.34Å; S119-K122 PolarHBondContact O-N 3.31Å; S119-K122 VanDerWaalsContact O-N 3.1Å; S119-E123 PolarHBondContact O-N 2.79Å; S119-E205 WeakPolarHBondContact CB-OE2 3.22Å; S119-E205 PolarHBondContact OG-OE2 3.08Å
120	S	95.1	Very high	94	Very high	9 Å²	9	45 Å²	45	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-35	178.8	72.4	0	0	0	0	113	P116 T117 E123 A124	P116-S120 WeakPolarHBondContact CA-OG 3.46Å; T117-S120 PolarHBondContact N-OG 3.32Å; T117-S120 PolarHBondContact O-N 3.11Å; T117-S120 PolarHBondContact O-OG 2.96Å; T117-S120 PolarHBondContact OG1-N 2.69Å; T117-S120 VanDerWaalsContact OG1-N 3.13Å; T117-S120 PolarHBondContact OG1-OG 3.28Å; S120-E123 PolarHBondContact O-N 2.87Å; S120-A124 PolarHBondContact O-N 3.38Å; S120-A124 VanDerWaalsContact O-N 3.1Å
121	F	95.4	Very high	93.7	Very high	1 Å²	1	44.3 Å²	44.3	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-62.2	-46.5	172.1	-93.3	25.2	0	0	0	111.2	P116 T117 S119 E123 A124 I125 D146 T147 A150 F162 I201 F202	P116-F121 HydrophobicContact CB-CD1 3.69Å; P116-F121 HydrophobicContact CB-CE1 3.39Å; P116-F121 HydrophobicContact CB-CZ 4.44Å; P116-F121 HydrophobicContact CG-CD1 4.23Å; P116-F121 HydrophobicContact CG-CE1 3.43Å; P116-F121 VanDerWaalsContact CG-CE1 3.43Å; P116-F121 HydrophobicContact CG-CZ 4.08Å; T117-F121 PolarHBondContact O-N 2.77Å; S119-F121 VanDerWaalsContact C-N 3.31Å; S119-F121 PolarHBondContact O-N 2.95Å; F121-E123 VanDerWaalsContact C-N 3.27Å; F121-E123 PolarHBondContact O-N 3.25Å; F121-A124 PolarHBondContact O-N 3.06Å; F121-I125 WeakPolarHBondContact O-CB 3.38Å; F121-I125 VanDerWaalsContact O-CD1 3.3Å; F121-I125 WeakPolarHBondContact O-CD1 3.25Å; F121-I125 WeakPolarHBondContact O-CG1 3.48Å; F121-I125 PolarHBondContact O-N 3.49Å; F121-D146 HydrophobicContact CZ-CB 4.38Å; F121-T147 HydrophobicContact CD1-CG2 4.29Å; F121-T147 HydrophobicContact CE1-CG2 4.44Å; F121-T147 WeakPolarHBondContact CE1-OG1 3.3Å; F121-A150 HydrophobicContact CD2-CB 3.68Å; F121-A150 HydrophobicContact CE2-CB 3.62Å; F121-A150 HydrophobicContact CG-CB 4.26Å; F121-A150 HydrophobicContact CZ-CB 4.16Å; F121-F162 HydrophobicContact CB-CE2 3.87Å; F121-F162 HydrophobicContact CB-CZ 4.12Å; F121-F162 HydrophobicContact CD2-CE2 4.14Å; F121-F162 HydrophobicContact CD2-CZ 4.18Å; F121-I201 WeakPolarHBondContact CZ-O 3.44Å; F121-F202 HydrophobicContact CD1-CB 4.32Å; F121-F202 HydrophobicContact CD2-CB 4Å; F121-F202 AromaticContact CD2-CD1 3.77Å; F121-F202 HydrophobicContact CD2-CD1 3.77Å; F121-F202 HydrophobicContact CD2-CE1 4.43Å; F121-F202 AromaticContact CD2-CG 3.91Å; F121-F202 HydrophobicContact CD2-CG 3.91Å; F121-F202 HydrophobicContact CE1-CB 4.06Å; F121-F202 HydrophobicContact CE2-CB 3.71Å; F121-F202 AromaticContact CE2-CD1 3.48Å; F121-F202 HydrophobicContact CE2-CD1 3.48Å; F121-F202 VanDerWaalsContact CE2-CD1 3.48Å; F121-F202 HydrophobicContact CE2-CE1 4.36Å; F121-F202 AromaticContact CE2-CG 3.83Å; F121-F202 HydrophobicContact CE2-CG 3.83Å; F121-F202 HydrophobicContact CG-CB 4.31Å; F121-F202 HydrophobicContact CZ-CB 3.75Å; F121-F202 HydrophobicContact CZ-CD1 4.28Å; F121-F202 HydrophobicContact CZ-CG 4.38Å
122	K	95.8	Very high	93.4	Very high	94 Å²	94	46 Å²	46	41%	0.409	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-35.8	178.7	-72	161.5	-174	160.1	0	112	D118 S119 I125 S126 F162	D118-K122 WeakPolarHBondContact O-CD 3.48Å; D118-K122 WeakPolarHBondContact O-CG 3.09Å; D118-K122 PolarHBondContact O-N 2.89Å; D118-K122 VanDerWaalsContact O-N 3.08Å; D118-K122 IonicContact OD2-NZ 3.28Å; D118-K122 PolarHBondContact OD2-NZ 2.79Å; S119-K122 WeakPolarHBondContact O-CB 3.34Å; S119-K122 PolarHBondContact O-N 3.31Å; S119-K122 VanDerWaalsContact O-N 3.1Å; K122-I125 PolarHBondContact O-N 3.03Å; K122-S126 WeakPolarHBondContact O-CB 3.43Å; K122-S126 PolarHBondContact O-N 3.48Å; K122-F162 HydrophobicContact CG-CD2 4.08Å; K122-F162 HydrophobicContact CG-CE2 4.41Å; K122-F162 HydrophobicContact CG-CG 4.29Å
123	E	96.8	Very high	93.4	Very high	109 Å²	109	45.7 Å²	45.7	51%	0.509	23%	0.233	S	C	.	.	H	α-helix	trans	-64.9	-49.2	175.2	-70.9	172.3	-179.4	0	0	112	S119 S120 F121 I125 S126 F127	S119-E123 PolarHBondContact O-N 2.79Å; S120-E123 PolarHBondContact O-N 2.87Å; F121-E123 VanDerWaalsContact C-N 3.27Å; F121-E123 PolarHBondContact O-N 3.25Å; E123-I125 VanDerWaalsContact C-N 3.32Å; E123-I125 PolarHBondContact O-N 3.14Å; E123-S126 WeakPolarHBondContact O-CB 3.3Å; E123-S126 PolarHBondContact O-N 3.34Å; E123-S126 VanDerWaalsContact O-N 3.16Å; E123-F127 PolarHBondContact O-N 2.91Å
124	A	96.9	Very high	93.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.5	-38.2	176	0	0	0	0	0	112.4	M81 F109 S120 F121 F127 A128 T147 A151	M81-A124 HydrophobicContact CE-CB 4.31Å; F109-A124 HydrophobicContact CD1-CB 4.4Å; F109-A124 HydrophobicContact CE1-CB 3.84Å; F109-A124 HydrophobicContact CZ-CB 4.02Å; S120-A124 PolarHBondContact O-N 3.38Å; S120-A124 VanDerWaalsContact O-N 3.1Å; F121-A124 PolarHBondContact O-N 3.06Å; A124-F127 PolarHBondContact O-N 2.66Å; A124-A128 WeakPolarHBondContact O-CB 3.24Å; A124-A128 PolarHBondContact O-N 3.21Å; A124-T147 HydrophobicContact CB-CG2 3.37Å; A124-A151 HydrophobicContact CB-CB 4.47Å
125	I	96.3	Very high	93.7	Very high	13 Å²	13	42.2 Å²	42.2	7%	0.067	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-44	173.5	-68.8	161.3	0	0	0	110.6	F121 K122 E123 F127 A128 K129 Y154 F162	F121-I125 WeakPolarHBondContact O-CB 3.38Å; F121-I125 VanDerWaalsContact O-CD1 3.3Å; F121-I125 WeakPolarHBondContact O-CD1 3.25Å; F121-I125 WeakPolarHBondContact O-CG1 3.48Å; F121-I125 PolarHBondContact O-N 3.49Å; K122-I125 PolarHBondContact O-N 3.03Å; E123-I125 VanDerWaalsContact C-N 3.32Å; E123-I125 PolarHBondContact O-N 3.14Å; I125-F127 VanDerWaalsContact C-N 3.33Å; I125-F127 PolarHBondContact O-N 2.84Å; I125-A128 PolarHBondContact O-N 2.91Å; I125-K129 HydrophobicContact CG2-CD 4.09Å; I125-K129 HydrophobicContact CG2-CG 4.37Å; I125-K129 WeakPolarHBondContact O-CB 3.33Å; I125-K129 WeakPolarHBondContact O-CG 3.5Å; I125-K129 PolarHBondContact O-N 3.21Å; I125-Y154 HydrophobicContact CD1-CD2 3.3Å; I125-Y154 HydrophobicContact CD1-CE2 3.88Å; I125-Y154 HydrophobicContact CD1-CG 3.78Å; I125-Y154 HydrophobicContact CG1-CD2 3.87Å; I125-Y154 HydrophobicContact CG1-CG 4.2Å; I125-Y154 VanDerWaalsContact CG2-CB 3.5Å; I125-Y154 HydrophobicContact CG2-CG 4.26Å; I125-F162 HydrophobicContact CD1-CD2 3.93Å; I125-F162 HydrophobicContact CD1-CE2 3.99Å
126	S	95.9	Very high	94.2	Very high	54 Å²	54	40.9 Å²	40.9	38%	0.378	21%	0.214	S	C	.	.	H	α-helix	trans	-60.5	-44.8	177.2	-174.6	0	0	0	0	110.9	K122 E123 K129 K130	K122-S126 WeakPolarHBondContact O-CB 3.43Å; K122-S126 PolarHBondContact O-N 3.48Å; E123-S126 WeakPolarHBondContact O-CB 3.3Å; E123-S126 PolarHBondContact O-N 3.34Å; E123-S126 VanDerWaalsContact O-N 3.16Å; S126-K129 PolarHBondContact O-N 2.81Å; S126-K130 WeakPolarHBondContact O-CG 3.41Å; S126-K130 PolarHBondContact O-N 2.85Å; S126-K130 VanDerWaalsContact O-N 3.1Å
127	F	96.4	Very high	94.5	Very high	37 Å²	37	40.8 Å²	40.8	16%	0.162	21%	0.213	C	C	.	.	H	α-helix	trans	-57.4	-49.8	174	179.6	-95	0	0	0	111.8	M81 Q107 F109 E123 A124 I125 K129 K130 F133	M81-F127 HydrophobicContact CE-CD1 4.35Å; Q107-F127 HydrophobicContact CB-CZ 4.02Å; F109-F127 HydrophobicContact CB-CD1 3.79Å; F109-F127 HydrophobicContact CB-CE1 3.72Å; F109-F127 HydrophobicContact CB-CG 4.29Å; F109-F127 HydrophobicContact CB-CZ 4.15Å; F109-F127 HydrophobicContact CD2-CB 3.91Å; F109-F127 HydrophobicContact CD2-CD1 4.06Å; F109-F127 HydrophobicContact CD2-CD2 4.02Å; F109-F127 AromaticContact CD2-CG 3.72Å; F109-F127 HydrophobicContact CD2-CG 3.72Å; F109-F127 HydrophobicContact CE2-CB 4.25Å; F109-F127 HydrophobicContact CG-CD1 4.2Å; F109-F127 HydrophobicContact CG-CG 4.33Å; E123-F127 PolarHBondContact O-N 2.91Å; A124-F127 PolarHBondContact O-N 2.66Å; I125-F127 VanDerWaalsContact C-N 3.33Å; I125-F127 PolarHBondContact O-N 2.84Å; F127-K129 PolarHBondContact O-N 3.3Å; F127-K130 PolarHBondContact O-N 3.08Å; F127-F133 HydrophobicContact CD1-CE2 4.39Å; F127-F133 HydrophobicContact CE1-CE2 4.1Å; F127-F133 AromaticContact CE1-CZ 3.86Å; F127-F133 HydrophobicContact CE1-CZ 3.86Å; F127-F133 HydrophobicContact CZ-CZ 4.2Å
128	A	96	Very high	94.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-66.4	-22.8	179.5	0	0	0	0	0	114.3	M81 A124 I125 F136 A151	M81-A128 HydrophobicContact CE-CB 4.39Å; A124-A128 WeakPolarHBondContact O-CB 3.24Å; A124-A128 PolarHBondContact O-N 3.21Å; I125-A128 PolarHBondContact O-N 2.91Å; A128-F136 HydrophobicContact CB-CE1 3.93Å; A128-F136 HydrophobicContact CB-CZ 4.07Å; A128-A151 HydrophobicContact CB-CB 3.88Å
129	K	93.8	Very high	94.8	Very high	88 Å²	88	39.7 Å²	39.7	38%	0.383	21%	0.207	S	C	.	.	H	α-helix	trans	-84.2	-23.4	175.3	-76.2	-175.3	177.5	-169.9	0	113.5	I125 S126 F127 D131 Y154 P158	I125-K129 HydrophobicContact CG2-CD 4.09Å; I125-K129 HydrophobicContact CG2-CG 4.37Å; I125-K129 WeakPolarHBondContact O-CB 3.33Å; I125-K129 WeakPolarHBondContact O-CG 3.5Å; I125-K129 PolarHBondContact O-N 3.21Å; S126-K129 PolarHBondContact O-N 2.81Å; F127-K129 PolarHBondContact O-N 3.3Å; K129-D131 VanDerWaalsContact C-N 3.32Å; K129-Y154 WeakPolarHBondContact CE-O 3.49Å; K129-P158 PolarHBondContact NZ-O 2.91Å
130	K	91.8	Very high	94.8	Very high	154 Å²	154	37.7 Å²	37.7	67%	0.67	19%	0.193	S	C	*	.	H	α-helix	trans	-68.5	-31.4	-178	-79	170.5	-173.4	177.8	0	112.9	S126 F127	S126-K130 WeakPolarHBondContact O-CG 3.41Å; S126-K130 PolarHBondContact O-N 2.85Å; S126-K130 VanDerWaalsContact O-N 3.1Å; F127-K130 PolarHBondContact O-N 3.08Å
131	D	89.3	Confident	94.8	Very high	60 Å²	60	37.8 Å²	37.8	32%	0.321	20%	0.196	S	C	.	.	S	Bend	trans	-124.5	153.2	-176.9	-80.4	-56.5	0	0	0	112.4	Q107 K129 F133	Q107-D131 PolarHBondContact NE2-OD2 2.8Å; Q107-D131 PolarHBondContact OE1-OD2 2.93Å; K129-D131 VanDerWaalsContact C-N 3.32Å; D131-F133 HydrophobicContact CB-CD2 4.18Å; D131-F133 HydrophobicContact CB-CE1 4.25Å; D131-F133 HydrophobicContact CB-CE2 3.63Å; D131-F133 HydrophobicContact CB-CZ 3.67Å; D131-F133 PolarHBondContact O-N 3.42Å; D131-F133 VanDerWaalsContact O-N 3.13Å
132	S	89.1	Confident	94.8	Very high	101 Å²	101	38.2 Å²	38.2	71%	0.706	20%	0.2	S	C	*	.			trans	-83	87.3	174.9	-63.2	0	0	0	0	110.3	N77	N77-S132 WeakPolarHBondContact CB-O 3.34Å; N77-S132 PolarHBondContact ND2-O 2.82Å
133	F	94.8	Very high	94.7	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	19%	0.189	C	C	.	.			trans	-85.3	143.6	171.1	-60.3	-69.4	0	0	0	111.4	N77 C79 Q107 F127 D131 K181	N77-F133 WeakPolarHBondContact ND2-CD1 3.46Å; N77-F133 WeakPolarHBondContact O-CA 3.48Å; C79-F133 HydrophobicContact CB-CB 3.96Å; C79-F133 HydrophobicContact CB-CD1 3.64Å; C79-F133 HydrophobicContact CB-CD2 3.78Å; C79-F133 HydrophobicContact CB-CE1 4.01Å; C79-F133 HydrophobicContact CB-CE2 4.12Å; C79-F133 HydrophobicContact CB-CG 3.51Å; C79-F133 HydrophobicContact CB-CZ 4.23Å; Q107-F133 HydrophobicContact CB-CE1 3.85Å; Q107-F133 HydrophobicContact CB-CZ 4.01Å; Q107-F133 HydrophobicContact CG-CE1 3.99Å; Q107-F133 HydrophobicContact CG-CZ 4.31Å; F127-F133 HydrophobicContact CD1-CE2 4.39Å; F127-F133 HydrophobicContact CE1-CE2 4.1Å; F127-F133 AromaticContact CE1-CZ 3.86Å; F127-F133 HydrophobicContact CE1-CZ 3.86Å; F127-F133 HydrophobicContact CZ-CZ 4.2Å; D131-F133 HydrophobicContact CB-CD2 4.18Å; D131-F133 HydrophobicContact CB-CE1 4.25Å; D131-F133 HydrophobicContact CB-CE2 3.63Å; D131-F133 HydrophobicContact CB-CZ 3.67Å; D131-F133 PolarHBondContact O-N 3.42Å; D131-F133 VanDerWaalsContact O-N 3.13Å; F133-K181 WeakPolarHBondContact O-CD 3.44Å; F133-K181 WeakPolarHBondContact O-CE 3.45Å; F133-K181 PolarHBondContact O-NZ 3.4Å
134	D	93.1	Very high	94.7	Very high	66 Å²	66	29.8 Å²	29.8	35%	0.353	17%	0.165	S	C	.	.	S	Bend	trans	-102.2	-29.5	178.5	-50.5	-53.1	0	0	0	112	Q76 N77	Q76-D134 WeakPolarHBondContact CB-OD2 3.43Å; Q76-D134 PolarHBondContact N-OD2 3.46Å; N77-D134 PolarHBondContact N-OD2 3.38Å; N77-D134 PolarHBondContact O-N 3.11Å
135	V	93.8	Very high	94.8	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.018	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	143.8	-177.9	179.4	0	0	0	0	109.9	L70 A75 V78 C79 P182	L70-V135 HydrophobicContact CD2-CB 4.23Å; L70-V135 HydrophobicContact CD2-CG1 3.49Å; L70-V135 VanDerWaalsContact CD2-CG1 3.49Å; A75-V135 HydrophobicContact CB-CB 4.18Å; A75-V135 HydrophobicContact CB-CG2 3.61Å; V78-V135 WeakPolarHBondContact CA-O 3.39Å; V78-V135 HydrophobicContact CG2-CB 4.43Å; C79-V135 PolarHBondContact N-O 2.96Å; V135-P182 HydrophobicContact CG1-CB 4.29Å; V135-P182 HydrophobicContact CG2-CB 4.32Å; V135-P182 HydrophobicContact CG2-CG 4.38Å
136	F	96.3	Very high	94.8	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140.4	173.8	-72.5	-94.2	0	0	0	110.8	C79 M81 A128 A151 N152 K181 P182 L183 I184	C79-F136 HydrophobicContact CB-CD1 3.48Å; C79-F136 VanDerWaalsContact CB-CD1 3.48Å; C79-F136 HydrophobicContact CB-CE1 3.59Å; C79-F136 HydrophobicContact CB-CG 4.2Å; C79-F136 HydrophobicContact CB-CZ 4.4Å; C79-F136 WeakPolarHBondContact O-CA 3.26Å; M81-F136 HydrophobicContact CE-CE1 4.46Å; A128-F136 HydrophobicContact CB-CE1 3.93Å; A128-F136 HydrophobicContact CB-CZ 4.07Å; F136-A151 HydrophobicContact CE1-CB 4.35Å; F136-N152 HydrophobicContact CD1-CB 4.32Å; F136-N152 HydrophobicContact CD2-CB 3.67Å; F136-N152 VanDerWaalsContact CD2-CG 3.45Å; F136-N152 HydrophobicContact CE1-CB 4.38Å; F136-N152 HydrophobicContact CE2-CB 3.69Å; F136-N152 WeakPolarHBondContact CE2-OD1 3.42Å; F136-N152 HydrophobicContact CG-CB 4Å; F136-N152 HydrophobicContact CZ-CB 4.08Å; F136-K181 HydrophobicContact CD2-CB 4.07Å; F136-K181 HydrophobicContact CE2-CB 4.18Å; F136-K181 HydrophobicContact CE2-CD 3.95Å; F136-P182 PolarHBondContact N-O 3.41Å; F136-L183 HydrophobicContact CB-CD1 3.72Å; F136-L183 WeakPolarHBondContact O-CA 3.24Å; F136-I184 PolarHBondContact O-N 3.47Å
137	V	95.8	Very high	94.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	125.8	173	-178.4	0	0	0	0	108.3	L70 V78 C79 L80 M81 V95 V139 I184	L70-V137 HydrophobicContact CD1-CG2 4.48Å; L70-V137 HydrophobicContact CD2-CG2 4.3Å; V78-V137 HydrophobicContact CG1-CB 4.2Å; V78-V137 HydrophobicContact CG1-CG2 3.6Å; C79-V137 PolarHBondContact O-N 3.14Å; L80-V137 CarbonylContact C-O 3.21Å; L80-V137 WeakPolarHBondContact CA-O 3.43Å; L80-V137 HydrophobicContact CD1-CB 3.71Å; L80-V137 HydrophobicContact CD1-CG1 3.56Å; M81-V137 PolarHBondContact N-O 2.92Å; V95-V137 HydrophobicContact CG1-CG1 4.3Å; V137-V139 HydrophobicContact CG1-CG2 4.1Å; V137-I184 CarbonylContact C-O 3.57Å; V137-I184 VanDerWaalsContact CA-O 3.32Å; V137-I184 WeakPolarHBondContact CA-O 3.39Å; V137-I184 HydrophobicContact CG2-CB 4.31Å
138	A	97.1	Very high	95	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.5	176.7	0	0	0	0	0	109.6	V144 I145 C148 L183 I184 V186	A138-V144 HydrophobicContact CB-CG1 4.22Å; A138-I145 HydrophobicContact CB-CB 4.46Å; A138-I145 HydrophobicContact CB-CG1 4.06Å; A138-C148 HydrophobicContact CB-CB 3.72Å; A138-L183 HydrophobicContact CB-CD1 4.32Å; A138-I184 PolarHBondContact N-O 3.05Å; A138-V186 PolarHBondContact O-N 2.87Å
139	V	96.4	Very high	95.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	105.9	177.4	-172.2	0	0	0	0	108.9	L80 M81 T82 V86 P91 M92 V95 V137 V186 T188	L80-V139 HydrophobicContact CD1-CG2 3.76Å; M81-V139 PolarHBondContact O-N 2.9Å; T82-V139 WeakPolarHBondContact CB-O 3.39Å; T82-V139 PolarHBondContact OG1-O 3.13Å; V86-V139 HydrophobicContact CG1-CG1 4.26Å; P91-V139 HydrophobicContact CB-CG1 4.23Å; M92-V139 HydrophobicContact SD-CB 4.19Å; M92-V139 HydrophobicContact SD-CG1 4.46Å; M92-V139 HydrophobicContact SD-CG2 4.35Å; V95-V139 HydrophobicContact CB-CG2 4.15Å; V95-V139 HydrophobicContact CG1-CG2 4.01Å; V95-V139 HydrophobicContact CG2-CG1 4.48Å; V95-V139 HydrophobicContact CG2-CG2 3.83Å; V137-V139 HydrophobicContact CG1-CG2 4.1Å; V139-V186 HydrophobicContact CB-CB 4.47Å; V139-V186 HydrophobicContact CG1-CB 4.35Å; V139-V186 HydrophobicContact CG1-CG1 4.4Å; V139-V186 HydrophobicContact CG2-CB 4.1Å; V139-V186 HydrophobicContact CG2-CG2 4.2Å; V139-T188 HydrophobicContact CG1-CG2 4.33Å
140	G	95.3	Very high	95.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.5	-163.2	-174.6	0	0	0	0	0	113.5	V186 P187 T188	G140-V186 PolarHBondContact N-O 3.28Å; G140-P187 CarbonylContact O-C 3.33Å; G140-P187 WeakPolarHBondContact O-CA 3.11Å; G140-T188 VanDerWaalsContact CA-OG1 3.24Å; G140-T188 WeakPolarHBondContact CA-OG1 3.46Å; G140-T188 PolarHBondContact O-N 3Å; G140-T188 PolarHBondContact O-OG1 2.95Å; G140-T188 VanDerWaalsContact O-OG1 3.13Å
141	G	94.6	Very high	95.5	Very high	12 Å²	12	14.2 Å²	14.2	12%	0.124	9%	0.091	C	C	.	.	S	Bend	trans	-82.6	-167.2	173	0	0	0	0	0	112.7	S143 V144 I145 T188 T189	G141-S143 VanDerWaalsContact C-N 3.3Å; G141-S143 PolarHBondContact O-N 2.87Å; G141-V144 PolarHBondContact O-N 2.66Å; G141-V144 VanDerWaalsContact O-N 3.17Å; G141-I145 PolarHBondContact O-N 2.99Å; G141-T188 PolarHBondContact N-OG1 3.17Å; G141-T189 WeakPolarHBondContact CA-OG1 3.36Å
142	G	94.8	Very high	95.9	Very high	9 Å²	9	11.5 Å²	11.5	9%	0.093	8%	0.077	C	C	.	.	H	α-helix	trans	-54.2	-41.3	178.2	0	0	0	0	0	114	V144 I145 D146 T192	G142-V144 VanDerWaalsContact C-N 3.32Å; G142-V144 PolarHBondContact O-N 2.91Å; G142-I145 PolarHBondContact O-N 2.85Å; G142-D146 VanDerWaalsContact O-CB 3.3Å; G142-D146 WeakPolarHBondContact O-CB 3.37Å; G142-D146 VanDerWaalsContact O-CG 3.3Å; G142-D146 PolarHBondContact O-N 3.46Å; G142-T192 WeakPolarHBondContact CA-OG1 3.5Å
143	S	95.1	Very high	96.3	Very high	25 Å²	25	6.7 Å²	6.7	18%	0.175	4%	0.043	C	C	.	.	H	α-helix	trans	-58.6	-41	179	-54.7	0	0	0	0	112.9	E115 G141 T147	E115-S143 PolarHBondContact N-OG 3.24Å; E115-S143 VanDerWaalsContact N-OG 3.14Å; G141-S143 VanDerWaalsContact C-N 3.3Å; G141-S143 PolarHBondContact O-N 2.87Å; S143-T147 VanDerWaalsContact O-CB 3.31Å; S143-T147 WeakPolarHBondContact O-CB 3.39Å; S143-T147 PolarHBondContact O-N 3.26Å; S143-T147 PolarHBondContact O-OG1 3.22Å
144	V	97.3	Very high	96.4	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.006	4%	0.043	C	C	.	.	H	α-helix	trans	-67.3	-47.7	177	175.6	0	0	0	0	111.3	M81 D83 V112 A138 G141 G142 D146 T147 C148	M81-V144 HydrophobicContact CB-CG1 4.47Å; M81-V144 WeakPolarHBondContact O-CG1 3.39Å; D83-V144 HydrophobicContact CB-CG2 4.04Å; V112-V144 HydrophobicContact CB-CG2 4.12Å; V112-V144 HydrophobicContact CG1-CG2 4.04Å; A138-V144 HydrophobicContact CB-CG1 4.22Å; G141-V144 PolarHBondContact O-N 2.66Å; G141-V144 VanDerWaalsContact O-N 3.17Å; G142-V144 VanDerWaalsContact C-N 3.32Å; G142-V144 PolarHBondContact O-N 2.91Å; V144-D146 PolarHBondContact O-N 2.77Å; V144-T147 PolarHBondContact O-N 2.89Å; V144-C148 WeakPolarHBondContact O-CB 3.32Å; V144-C148 PolarHBondContact O-N 2.89Å
145	I	97.8	Very high	96.5	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.005	3%	0.032	C	C	.	.	H	α-helix	trans	-65	-42.8	-177.9	-59.4	168.1	0	0	0	110.2	A138 G141 G142 C148 K149 A185 P187 S194 E195 P220	A138-I145 HydrophobicContact CB-CB 4.46Å; A138-I145 HydrophobicContact CB-CG1 4.06Å; G141-I145 PolarHBondContact O-N 2.99Å; G142-I145 PolarHBondContact O-N 2.85Å; I145-C148 PolarHBondContact O-N 3.19Å; I145-K149 HydrophobicContact CG2-CD 4.39Å; I145-K149 VanDerWaalsContact O-CG 3.29Å; I145-K149 WeakPolarHBondContact O-CG 3.49Å; I145-K149 PolarHBondContact O-N 3.17Å; I145-A185 HydrophobicContact CD1-CB 4.26Å; I145-A185 HydrophobicContact CG1-CB 4.33Å; I145-A185 HydrophobicContact CG2-CB 4.1Å; I145-P187 HydrophobicContact CD1-CB 4.37Å; I145-S194 VanDerWaalsContact CG2-OG 3.22Å; I145-S194 WeakPolarHBondContact CG2-OG 3.11Å; I145-E195 HydrophobicContact CD1-CB 4.42Å; I145-P220 HydrophobicContact CG2-CG 4.44Å
146	D	97.4	Very high	96.6	Very high	17 Å²	17	5.4 Å²	5.4	9%	0.091	4%	0.038	C	C	.	.	H	α-helix	trans	-66.3	-42.2	179.1	-73.9	9.9	0	0	0	112.3	F121 G142 V144 C148 K149 A150 S194 A200 I201	F121-D146 HydrophobicContact CZ-CB 4.38Å; G142-D146 VanDerWaalsContact O-CB 3.3Å; G142-D146 WeakPolarHBondContact O-CB 3.37Å; G142-D146 VanDerWaalsContact O-CG 3.3Å; G142-D146 PolarHBondContact O-N 3.46Å; V144-D146 PolarHBondContact O-N 2.77Å; D146-C148 VanDerWaalsContact C-N 3.3Å; D146-C148 PolarHBondContact O-N 3.44Å; D146-K149 WeakPolarHBondContact O-CB 3.2Å; D146-K149 PolarHBondContact O-N 3.14Å; D146-K149 IonicContact OD1-NZ 3.52Å; D146-A150 PolarHBondContact O-N 3.33Å; D146-S194 PolarHBondContact OD1-OG 3.28Å; D146-A200 HydrophobicContact CB-CB 4.03Å; D146-I201 PolarHBondContact OD2-N 3.2Å
147	T	97.9	Very high	96.5	Very high	1 Å²	1	6 Å²	6	1%	0.006	4%	0.041	C	C	.	.	H	α-helix	trans	-60.7	-42.3	173.7	-57.3	0	0	0	0	110.9	V112 F121 A124 S143 V144 A150 A151	V112-T147 HydrophobicContact CG1-CG2 4.3Å; V112-T147 WeakPolarHBondContact CG1-OG1 3.21Å; V112-T147 HydrophobicContact CG2-CG2 4.03Å; F121-T147 HydrophobicContact CD1-CG2 4.29Å; F121-T147 HydrophobicContact CE1-CG2 4.44Å; F121-T147 WeakPolarHBondContact CE1-OG1 3.3Å; A124-T147 HydrophobicContact CB-CG2 3.37Å; S143-T147 VanDerWaalsContact O-CB 3.31Å; S143-T147 WeakPolarHBondContact O-CB 3.39Å; S143-T147 PolarHBondContact O-N 3.26Å; S143-T147 PolarHBondContact O-OG1 3.22Å; V144-T147 PolarHBondContact O-N 2.89Å; T147-A150 PolarHBondContact O-N 3.24Å; T147-A151 WeakPolarHBondContact O-CB 3.47Å; T147-A151 PolarHBondContact O-N 3.49Å
148	C	98.1	Very high	96.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-67.2	-39	178.5	-162.7	0	0	0	0	112.7	M81 A138 V144 I145 D146 A150 A151 N152 L183	M81-C148 HydrophobicContact CB-CB 4.19Å; M81-C148 HydrophobicContact CG-CB 4.37Å; M81-C148 VanDerWaalsContact SD-CA 3.56Å; M81-C148 HydrophobicContact SD-CB 3.86Å; A138-C148 HydrophobicContact CB-CB 3.72Å; V144-C148 WeakPolarHBondContact O-CB 3.32Å; V144-C148 PolarHBondContact O-N 2.89Å; I145-C148 PolarHBondContact O-N 3.19Å; D146-C148 VanDerWaalsContact C-N 3.3Å; D146-C148 PolarHBondContact O-N 3.44Å; C148-A150 PolarHBondContact O-N 2.96Å; C148-A151 PolarHBondContact O-N 2.7Å; C148-N152 WeakPolarHBondContact O-CB 3.4Å; C148-N152 PolarHBondContact O-N 3.2Å; C148-L183 HydrophobicContact CB-CD1 4.37Å; C148-L183 VanDerWaalsContact SG-CD1 3.59Å
149	K	97.8	Very high	95.9	Very high	1 Å²	1	15.4 Å²	15.4	0%	0.004	10%	0.095	C	C	.	.	H	α-helix	trans	-58.8	-46.4	172.2	-73.1	168	173.8	165.2	0	111.6	I145 D146 N152 L153 L183 S194 T197 V199 A200 L218	I145-K149 HydrophobicContact CG2-CD 4.39Å; I145-K149 VanDerWaalsContact O-CG 3.29Å; I145-K149 WeakPolarHBondContact O-CG 3.49Å; I145-K149 PolarHBondContact O-N 3.17Å; D146-K149 WeakPolarHBondContact O-CB 3.2Å; D146-K149 PolarHBondContact O-N 3.14Å; D146-K149 IonicContact OD1-NZ 3.52Å; K149-N152 PolarHBondContact O-N 3.02Å; K149-L153 WeakPolarHBondContact O-CB 3.4Å; K149-L153 PolarHBondContact O-N 2.7Å; K149-L183 HydrophobicContact CG-CD2 3.61Å; K149-S194 WeakPolarHBondContact CE-O 3.36Å; K149-S194 PolarHBondContact NZ-O 3.47Å; K149-S194 PolarHBondContact NZ-OG 3.13Å; K149-T197 VanDerWaalsContact CE-O 3.24Å; K149-T197 WeakPolarHBondContact CE-O 3.41Å; K149-T197 PolarHBondContact NZ-O 3.43Å; K149-T197 PolarHBondContact NZ-OG1 3.04Å; K149-V199 WeakPolarHBondContact CD-O 3.32Å; K149-V199 PolarHBondContact NZ-O 3.4Å; K149-A200 HydrophobicContact CB-CB 4.19Å; K149-A200 HydrophobicContact CD-CB 4.36Å; K149-L218 HydrophobicContact CB-CD2 4.14Å; K149-L218 HydrophobicContact CB-CG 4.39Å; K149-L218 HydrophobicContact CD-CB 4.5Å; K149-L218 WeakPolarHBondContact CE-O 3.39Å; K149-L218 WeakPolarHBondContact CG-O 3.35Å
150	A	97.3	Very high	95.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.5	-49.1	177.5	0	0	0	0	0	111	F121 D146 T147 C148 N152 L153 Y154	F121-A150 HydrophobicContact CD2-CB 3.68Å; F121-A150 HydrophobicContact CE2-CB 3.62Å; F121-A150 HydrophobicContact CG-CB 4.26Å; F121-A150 HydrophobicContact CZ-CB 4.16Å; D146-A150 PolarHBondContact O-N 3.33Å; T147-A150 PolarHBondContact O-N 3.24Å; C148-A150 PolarHBondContact O-N 2.96Å; A150-N152 VanDerWaalsContact C-N 3.32Å; A150-N152 PolarHBondContact O-N 3.44Å; A150-L153 WeakPolarHBondContact O-CB 3.33Å; A150-L153 PolarHBondContact O-N 2.89Å; A150-Y154 WeakPolarHBondContact O-CD2 3.42Å; A150-Y154 PolarHBondContact O-N 3.31Å
151	A	97.5	Very high	95.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-55.8	-45.3	177.6	0	0	0	0	0	112.4	M81 A124 A128 F136 T147 C148 S155	M81-A151 HydrophobicContact CE-CB 3.35Å; M81-A151 HydrophobicContact SD-CB 3.89Å; A124-A151 HydrophobicContact CB-CB 4.47Å; A128-A151 HydrophobicContact CB-CB 3.88Å; F136-A151 HydrophobicContact CE1-CB 4.35Å; T147-A151 WeakPolarHBondContact O-CB 3.47Å; T147-A151 PolarHBondContact O-N 3.49Å; C148-A151 PolarHBondContact O-N 2.7Å; A151-S155 VanDerWaalsContact O-CB 3.25Å; A151-S155 WeakPolarHBondContact O-CB 3.35Å; A151-S155 PolarHBondContact O-N 2.81Å; A151-S155 PolarHBondContact O-OG 2.95Å
152	N	97.6	Very high	95.6	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-60.3	-51.7	175	-174.5	7.4	0	0	0	111.7	F136 C148 K149 A150 Y154 S155 C156 K181	F136-N152 HydrophobicContact CD1-CB 4.32Å; F136-N152 HydrophobicContact CD2-CB 3.67Å; F136-N152 VanDerWaalsContact CD2-CG 3.45Å; F136-N152 HydrophobicContact CE1-CB 4.38Å; F136-N152 HydrophobicContact CE2-CB 3.69Å; F136-N152 WeakPolarHBondContact CE2-OD1 3.42Å; F136-N152 HydrophobicContact CG-CB 4Å; F136-N152 HydrophobicContact CZ-CB 4.08Å; C148-N152 WeakPolarHBondContact O-CB 3.4Å; C148-N152 PolarHBondContact O-N 3.2Å; K149-N152 PolarHBondContact O-N 3.02Å; A150-N152 VanDerWaalsContact C-N 3.32Å; A150-N152 PolarHBondContact O-N 3.44Å; N152-Y154 PolarHBondContact O-N 3.38Å; N152-S155 PolarHBondContact O-N 3.18Å; N152-S155 PolarHBondContact O-OG 3.08Å; N152-C156 PolarHBondContact O-N 3.31Å; N152-C156 VanDerWaalsContact O-N 3.15Å; N152-K181 PolarHBondContact ND2-O 3.28Å; N152-K181 WeakPolarHBondContact OD1-CB 3.38Å; N152-K181 PolarHBondContact OD1-N 2.83Å
153	L	97.2	Very high	95.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-52.8	-53.8	179.5	173.1	64.5	0	0	0	112.5	K149 A150 C156 H157 F165 V176 L180 I213 L218	K149-L153 WeakPolarHBondContact O-CB 3.4Å; K149-L153 PolarHBondContact O-N 2.7Å; A150-L153 WeakPolarHBondContact O-CB 3.33Å; A150-L153 PolarHBondContact O-N 2.89Å; L153-C156 PolarHBondContact O-N 3.1Å; L153-H157 PolarHBondContact O-N 2.88Å; L153-H157 PolarHBondContact O-ND1 2.85Å; L153-F165 HydrophobicContact CD1-CD2 4.19Å; L153-F165 HydrophobicContact CD1-CE2 4.18Å; L153-F165 HydrophobicContact CD1-CG 4.43Å; L153-F165 HydrophobicContact CD1-CZ 4.4Å; L153-F165 HydrophobicContact CD2-CB 3.85Å; L153-F165 HydrophobicContact CD2-CD2 3.72Å; L153-F165 HydrophobicContact CD2-CE2 4.46Å; L153-F165 HydrophobicContact CD2-CG 3.85Å; L153-F165 HydrophobicContact CG-CD2 3.94Å; L153-F165 HydrophobicContact CG-CE2 4.21Å; L153-F165 HydrophobicContact CG-CG 4.41Å; L153-V176 HydrophobicContact CD1-CB 4.41Å; L153-V176 HydrophobicContact CD1-CG1 3.71Å; L153-V176 HydrophobicContact CD1-CG2 3.77Å; L153-L180 HydrophobicContact CB-CD1 4.34Å; L153-L180 HydrophobicContact CD1-CD1 4.27Å; L153-L180 HydrophobicContact CD1-CD2 3.89Å; L153-I213 HydrophobicContact CD2-CD1 3.93Å; L153-I213 HydrophobicContact CD2-CG2 3.98Å; L153-L218 HydrophobicContact CD1-CD1 4.27Å; L153-L218 HydrophobicContact CD2-CD1 4.07Å
154	Y	96.1	Very high	95.5	Very high	3 Å²	3	22.6 Å²	22.6	1%	0.012	13%	0.128	C	C	.	.	H	α-helix	trans	-77.3	-21.7	-176.7	-69.4	-82.9	0	0	0	113	I125 K129 A150 N152 C156 H157 D161 F162 F165 I213	I125-Y154 HydrophobicContact CD1-CD2 3.3Å; I125-Y154 HydrophobicContact CD1-CE2 3.88Å; I125-Y154 HydrophobicContact CD1-CG 3.78Å; I125-Y154 HydrophobicContact CG1-CD2 3.87Å; I125-Y154 HydrophobicContact CG1-CG 4.2Å; I125-Y154 VanDerWaalsContact CG2-CB 3.5Å; I125-Y154 HydrophobicContact CG2-CG 4.26Å; K129-Y154 WeakPolarHBondContact CE-O 3.49Å; A150-Y154 WeakPolarHBondContact O-CD2 3.42Å; A150-Y154 PolarHBondContact O-N 3.31Å; N152-Y154 PolarHBondContact O-N 3.38Å; Y154-C156 VanDerWaalsContact C-N 3.31Å; Y154-H157 CarbonylContact O-C 3.47Å; Y154-H157 VanDerWaalsContact O-C 3.22Å; Y154-H157 PolarHBondContact O-N 3.31Å; Y154-D161 WeakPolarHBondContact CE1-O 3.33Å; Y154-F162 HydrophobicContact CE2-CD2 4.32Å; Y154-F162 HydrophobicContact CE2-CE2 4.48Å; Y154-F162 PolarHBondContact OH-O 3.18Å; Y154-F165 HydrophobicContact CD1-CD2 4.26Å; Y154-F165 HydrophobicContact CD1-CE2 4.41Å; Y154-F165 AromaticContact CE1-CD2 3.64Å; Y154-F165 HydrophobicContact CE1-CD2 3.64Å; Y154-F165 HydrophobicContact CE1-CE2 4.16Å; Y154-F165 AromaticContact CZ-CD2 3.81Å; Y154-I213 HydrophobicContact CE2-CD1 3.8Å
155	S	95.7	Very high	95.3	Very high	18 Å²	18	23.1 Å²	23.1	13%	0.126	13%	0.13	C	C	.	.	H	α-helix	trans	-66.7	-33.5	169.8	80.9	0	0	0	0	112.1	A151 N152 H157	A151-S155 VanDerWaalsContact O-CB 3.25Å; A151-S155 WeakPolarHBondContact O-CB 3.35Å; A151-S155 PolarHBondContact O-N 2.81Å; A151-S155 PolarHBondContact O-OG 2.95Å; N152-S155 PolarHBondContact O-N 3.18Å; N152-S155 PolarHBondContact O-OG 3.08Å; S155-H157 VanDerWaalsContact C-N 3.32Å
156	C	95.3	Very high	95	Very high	21 Å²	21	23 Å²	23	14%	0.142	13%	0.129	C	C	.	.	H	α-helix	trans	-79.5	-13.9	175	-68.2	0	0	0	0	113.6	N152 L153 Y154 R178 L180	N152-C156 PolarHBondContact O-N 3.31Å; N152-C156 VanDerWaalsContact O-N 3.15Å; L153-C156 PolarHBondContact O-N 3.1Å; Y154-C156 VanDerWaalsContact C-N 3.31Å; C156-R178 WeakPolarHBondContact O-CD 3.32Å; C156-R178 PolarHBondContact O-NH1 3.36Å; C156-R178 VanDerWaalsContact O-NH1 3.1Å; C156-L180 HydrophobicContact CB-CD2 3.97Å
157	H	95.2	Very high	94.6	Very high	12 Å²	12	23.6 Å²	23.6	6%	0.056	13%	0.132	C	C	.	.			trans	-128.4	67.7	-179.1	-59.2	85.1	0	0	0	110.2	L153 Y154 S155 D159 A160 F165 R178	L153-H157 PolarHBondContact O-N 2.88Å; L153-H157 PolarHBondContact O-ND1 2.85Å; Y154-H157 CarbonylContact O-C 3.47Å; Y154-H157 VanDerWaalsContact O-C 3.22Å; Y154-H157 PolarHBondContact O-N 3.31Å; S155-H157 VanDerWaalsContact C-N 3.32Å; H157-D159 PolarHBondContact O-N 3.38Å; H157-D159 VanDerWaalsContact O-N 3.16Å; H157-A160 HydrophobicContact CB-CB 3.87Å; H157-A160 PolarHBondContact O-N 3.1Å; H157-A160 VanDerWaalsContact O-N 3.13Å; H157-F165 HydrophobicContact CB-CE2 3.94Å; H157-F165 HydrophobicContact CB-CZ 4.05Å; H157-F165 AromaticContact CD2-CZ 3.65Å; H157-F165 AromaticContact CG-CE2 3.97Å; H157-F165 AromaticContact CG-CZ 3.69Å; H157-R178 WeakPolarHBondContact NE2-CB 3.48Å; H157-R178 WeakPolarHBondContact NE2-CG 3.04Å
158	P	88.6	Confident	93.9	Very high	69 Å²	69	26.6 Å²	26.6	45%	0.448	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.6	-175.7	23.1	-33.8	0	0	0	113	K129	K129-P158 PolarHBondContact NZ-O 2.91Å
159	D	91.5	Very high	93.1	Very high	130 Å²	130	30.6 Å²	30.6	70%	0.695	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-5.3	-177.1	-40.3	-52.4	0	0	0	114.3	H157 R178	H157-D159 PolarHBondContact O-N 3.38Å; H157-D159 VanDerWaalsContact O-N 3.16Å; D159-R178 IonicContact OD2-NH2 3.11Å
160	A	92.9	Very high	92.4	Very high	16 Å²	16	32 Å²	32	13%	0.132	19%	0.19	C	C	.	.			trans	-85.6	138.5	-176.6	0	0	0	0	0	112	H157 D164 F165	H157-A160 HydrophobicContact CB-CB 3.87Å; H157-A160 PolarHBondContact O-N 3.1Å; H157-A160 VanDerWaalsContact O-N 3.13Å; A160-D164 HydrophobicContact CB-CB 4.4Å; A160-F165 HydrophobicContact CB-CD2 4.5Å; A160-F165 HydrophobicContact CB-CE2 3.62Å; A160-F165 HydrophobicContact CB-CZ 4.12Å
161	D	94.1	Very high	92	Very high	97 Å²	97	32.5 Å²	32.5	52%	0.519	20%	0.196	S	C	.	.			trans	-70.1	152	169.9	-65.6	-38.5	0	0	0	110.4	Y154 L163 D164 K172	Y154-D161 WeakPolarHBondContact CE1-O 3.33Å; D161-L163 VanDerWaalsContact C-N 3.26Å; D161-L163 PolarHBondContact O-N 3.37Å; D161-D164 PolarHBondContact N-OD2 2.88Å; D161-D164 VanDerWaalsContact O-CB 3.24Å; D161-D164 WeakPolarHBondContact O-CB 3.14Å; D161-D164 PolarHBondContact O-N 3.5Å; D161-K172 IonicContact OD2-NZ 3.88Å; D161-K172 PolarHBondContact OD2-NZ 2.97Å
162	F	93.1	Very high	91.6	Very high	30 Å²	30	38.1 Å²	38.1	13%	0.132	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-54.8	-40.1	178.8	-179.7	-106.2	0	0	0	112.9	D118 F121 K122 I125 Y154 D164 F202	D118-F162 HydrophobicContact CB-CE1 3.68Å; D118-F162 HydrophobicContact CB-CZ 3.94Å; F121-F162 HydrophobicContact CB-CE2 3.87Å; F121-F162 HydrophobicContact CB-CZ 4.12Å; F121-F162 HydrophobicContact CD2-CE2 4.14Å; F121-F162 HydrophobicContact CD2-CZ 4.18Å; K122-F162 HydrophobicContact CG-CD2 4.08Å; K122-F162 HydrophobicContact CG-CE2 4.41Å; K122-F162 HydrophobicContact CG-CG 4.29Å; I125-F162 HydrophobicContact CD1-CD2 3.93Å; I125-F162 HydrophobicContact CD1-CE2 3.99Å; Y154-F162 HydrophobicContact CE2-CD2 4.32Å; Y154-F162 HydrophobicContact CE2-CE2 4.48Å; Y154-F162 PolarHBondContact OH-O 3.18Å; F162-D164 VanDerWaalsContact C-N 3.27Å; F162-D164 PolarHBondContact O-N 3.31Å; F162-F202 AromaticContact CE1-CE2 3.79Å; F162-F202 HydrophobicContact CE1-CE2 3.79Å; F162-F202 AromaticContact CE1-CZ 3.73Å; F162-F202 HydrophobicContact CE1-CZ 3.73Å; F162-F202 HydrophobicContact CZ-CD2 4.34Å; F162-F202 HydrophobicContact CZ-CE1 4.17Å; F162-F202 AromaticContact CZ-CE2 3.8Å; F162-F202 HydrophobicContact CZ-CE2 3.8Å; F162-F202 AromaticContact CZ-CZ 3.69Å; F162-F202 HydrophobicContact CZ-CZ 3.69Å
163	L	93.8	Very high	91.1	Very high	51 Å²	51	39.7 Å²	39.7	27%	0.267	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-81.3	0.3	-178.6	-63.5	179.7	0	0	0	114.5	D161 V166 G171 K172 Y204	D161-L163 VanDerWaalsContact C-N 3.26Å; D161-L163 PolarHBondContact O-N 3.37Å; L163-V166 HydrophobicContact CD2-CB 4.35Å; L163-V166 HydrophobicContact CD2-CG2 4.13Å; L163-G171 WeakPolarHBondContact O-CA 3.26Å; L163-K172 PolarHBondContact O-N 3Å; L163-Y204 HydrophobicContact CD2-CE2 4.14Å
164	D	93.5	Very high	90.7	Very high	3 Å²	3	46 Å²	46	2%	0.016	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-63.2	-45.9	-176.4	-86.3	-1.2	0	0	0	112.9	A160 D161 F162 K172 G173 R174	A160-D164 HydrophobicContact CB-CB 4.4Å; D161-D164 PolarHBondContact N-OD2 2.88Å; D161-D164 VanDerWaalsContact O-CB 3.24Å; D161-D164 WeakPolarHBondContact O-CB 3.14Å; D161-D164 PolarHBondContact O-N 3.5Å; F162-D164 VanDerWaalsContact C-N 3.27Å; F162-D164 PolarHBondContact O-N 3.31Å; D164-K172 VanDerWaalsContact OD1-CD 3.24Å; D164-K172 WeakPolarHBondContact OD1-CD 3.46Å; D164-K172 VanDerWaalsContact OD1-CE 3.26Å; D164-K172 WeakPolarHBondContact OD1-CE 3.39Å; D164-K172 IonicContact OD1-NZ 2.92Å; D164-K172 PolarHBondContact OD1-NZ 2.65Å; D164-G173 PolarHBondContact O-N 2.94Å; D164-R174 VanDerWaalsContact O-CB 3.31Å; D164-R174 WeakPolarHBondContact O-CB 3.31Å; D164-R174 WeakPolarHBondContact O-CG 3.43Å; D164-R174 PolarHBondContact O-N 3.28Å; D164-R174 IonicContact OD1-NH1 3.69Å; D164-R174 IonicContact OD2-CZ 3.17Å; D164-R174 IonicContact OD2-NH1 2.85Å; D164-R174 PolarHBondContact OD2-NH1 3.16Å
165	F	93.6	Very high	90.2	Very high	11 Å²	11	50.5 Å²	50.5	5%	0.048	29%	0.291	C	S	.	.	S	Bend	trans	-94.1	-11.5	-177.7	-57.9	-66.2	0	0	0	113.4	L153 Y154 H157 A160 N167 R174 V176 I213	L153-F165 HydrophobicContact CD1-CD2 4.19Å; L153-F165 HydrophobicContact CD1-CE2 4.18Å; L153-F165 HydrophobicContact CD1-CG 4.43Å; L153-F165 HydrophobicContact CD1-CZ 4.4Å; L153-F165 HydrophobicContact CD2-CB 3.85Å; L153-F165 HydrophobicContact CD2-CD2 3.72Å; L153-F165 HydrophobicContact CD2-CE2 4.46Å; L153-F165 HydrophobicContact CD2-CG 3.85Å; L153-F165 HydrophobicContact CG-CD2 3.94Å; L153-F165 HydrophobicContact CG-CE2 4.21Å; L153-F165 HydrophobicContact CG-CG 4.41Å; Y154-F165 HydrophobicContact CD1-CD2 4.26Å; Y154-F165 HydrophobicContact CD1-CE2 4.41Å; Y154-F165 AromaticContact CE1-CD2 3.64Å; Y154-F165 HydrophobicContact CE1-CD2 3.64Å; Y154-F165 HydrophobicContact CE1-CE2 4.16Å; Y154-F165 AromaticContact CZ-CD2 3.81Å; H157-F165 HydrophobicContact CB-CE2 3.94Å; H157-F165 HydrophobicContact CB-CZ 4.05Å; H157-F165 AromaticContact CD2-CZ 3.65Å; H157-F165 AromaticContact CG-CE2 3.97Å; H157-F165 AromaticContact CG-CZ 3.69Å; A160-F165 HydrophobicContact CB-CD2 4.5Å; A160-F165 HydrophobicContact CB-CE2 3.62Å; A160-F165 HydrophobicContact CB-CZ 4.12Å; F165-N167 PolarHBondContact O-N 3.06Å; F165-R174 HydrophobicContact CD1-CB 4.37Å; F165-R174 WeakPolarHBondContact CD1-O 3.3Å; F165-V176 HydrophobicContact CD1-CG2 3.95Å; F165-V176 HydrophobicContact CE1-CG2 4.23Å; F165-I213 HydrophobicContact CB-CD1 4.36Å; F165-I213 HydrophobicContact CB-CG1 4.44Å; F165-I213 HydrophobicContact CB-CG2 4Å
166	V	91.8	Very high	90	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-63.2	136	176.6	176.9	0	0	0	0	109.1	L163 I170 G171 K172 G173 F202 T211 I213	L163-V166 HydrophobicContact CD2-CB 4.35Å; L163-V166 HydrophobicContact CD2-CG2 4.13Å; V166-I170 HydrophobicContact CG1-CG2 4.3Å; V166-G171 CarbonylContact O-C 3.48Å; V166-G171 VanDerWaalsContact O-C 3.28Å; V166-G171 VanDerWaalsContact O-CA 3.26Å; V166-G171 WeakPolarHBondContact O-CA 3.41Å; V166-K172 PolarHBondContact O-N 2.74Å; V166-G173 WeakPolarHBondContact O-CA 3.47Å; V166-G173 PolarHBondContact O-N 3.13Å; V166-F202 HydrophobicContact CG1-CZ 4.2Å; V166-F202 HydrophobicContact CG2-CE1 3.95Å; V166-F202 HydrophobicContact CG2-CZ 3.76Å; V166-T211 HydrophobicContact CG1-CG2 3.92Å; V166-I213 HydrophobicContact CG2-CG1 4.17Å
167	N	87.7	Confident	89.6	Confident	28 Å²	28	55.5 Å²	55.5	15%	0.15	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-59.4	141	-174	-68.7	-47.4	0	0	0	111.9	F165 I170 G171 G212 A214 R444	F165-N167 PolarHBondContact O-N 3.06Å; N167-I170 PolarHBondContact O-N 3.45Å; N167-G171 PolarHBondContact O-N 2.86Å; N167-G212 WeakPolarHBondContact CB-O 3.48Å; N167-G212 VanDerWaalsContact CG-O 3.24Å; N167-G212 PolarHBondContact N-O 2.98Å; N167-G212 PolarHBondContact ND2-O 2.65Å; N167-A214 PolarHBondContact ND2-N 2.98Å; N167-A214 PolarHBondContact OD1-N 3.16Å; N167-R444 WeakPolarHBondContact ND2-CD 3.39Å
168	A	83.7	Confident	89.3	Confident	65 Å²	65	60.6 Å²	60.6	54%	0.537	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	148.1	168.6	0	0	0	0	0	110.4	G171	A168-G171 WeakPolarHBondContact CA-O 3.41Å
169	P	81.8	Confident	89.5	Confident	83 Å²	83	61.9 Å²	61.9	54%	0.539	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	cis	-86.6	-3.1	6.4	34.5	-36.3	0	0	0	115.2	P441	P169-P441 HydrophobicContact CG-CB 4.48Å
170	I	83.5	Confident	89.7	Confident	30 Å²	30	57.2 Å²	57.2	15%	0.154	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-43.5	-175.6	-62.8	171.5	0	0	0	111.3	V166 N167 Y204 L207 T211	V166-I170 HydrophobicContact CG1-CG2 4.3Å; N167-I170 PolarHBondContact O-N 3.45Å; I170-Y204 HydrophobicContact CG2-CD1 4.01Å; I170-Y204 HydrophobicContact CG2-CE1 4.16Å; I170-L207 HydrophobicContact CD1-CD1 4.15Å; I170-L207 HydrophobicContact CG1-CD1 3.95Å; I170-L207 HydrophobicContact CG2-CD1 4.02Å; I170-T211 HydrophobicContact CG2-CG2 4.35Å
171	G	87.3	Confident	89.8	Confident	12 Å²	12	59.2 Å²	59.2	12%	0.124	34%	0.336	C	S	.	.	S	Bend	trans	-112.1	-167.6	173.2	0	0	0	0	0	113.1	L163 V166 N167 A168	L163-G171 WeakPolarHBondContact O-CA 3.26Å; V166-G171 CarbonylContact O-C 3.48Å; V166-G171 VanDerWaalsContact O-C 3.28Å; V166-G171 VanDerWaalsContact O-CA 3.26Å; V166-G171 WeakPolarHBondContact O-CA 3.41Å; N167-G171 PolarHBondContact O-N 2.86Å; A168-G171 WeakPolarHBondContact CA-O 3.41Å
172	K	89.4	Confident	89.9	Confident	118 Å²	118	56.3 Å²	56.3	51%	0.513	32%	0.322	S	S	.	.			trans	-85.9	-13.3	-178.4	-54.4	-176.5	-162.8	155.7	0	113.4	D161 L163 D164 V166 R174	D161-K172 IonicContact OD2-NZ 3.88Å; D161-K172 PolarHBondContact OD2-NZ 2.97Å; L163-K172 PolarHBondContact O-N 3Å; D164-K172 VanDerWaalsContact OD1-CD 3.24Å; D164-K172 WeakPolarHBondContact OD1-CD 3.46Å; D164-K172 VanDerWaalsContact OD1-CE 3.26Å; D164-K172 WeakPolarHBondContact OD1-CE 3.39Å; D164-K172 IonicContact OD1-NZ 2.92Å; D164-K172 PolarHBondContact OD1-NZ 2.65Å; V166-K172 PolarHBondContact O-N 2.74Å; K172-R174 HydrophobicContact CB-CG 4.01Å; K172-R174 PolarHBondContact O-N 3.49Å
173	G	86.7	Confident	90	Very high	37 Å²	37	55.1 Å²	55.1	38%	0.381	32%	0.317	S	S	.	.			trans	56.3	32	178.5	0	0	0	0	0	114.2	D164 V166	D164-G173 PolarHBondContact O-N 2.94Å; V166-G173 WeakPolarHBondContact O-CA 3.47Å; V166-G173 PolarHBondContact O-N 3.13Å
174	R	89.3	Confident	90	Very high	133 Å²	133	52.8 Å²	52.8	50%	0.502	31%	0.305	S	S	.	.			trans	-63.9	140.2	-176.8	-67.4	176.8	66.7	-176.1	4.5	110.1	D164 F165 K172	D164-R174 VanDerWaalsContact O-CB 3.31Å; D164-R174 WeakPolarHBondContact O-CB 3.31Å; D164-R174 WeakPolarHBondContact O-CG 3.43Å; D164-R174 PolarHBondContact O-N 3.28Å; D164-R174 IonicContact OD1-NH1 3.69Å; D164-R174 IonicContact OD2-CZ 3.17Å; D164-R174 IonicContact OD2-NH1 2.85Å; D164-R174 PolarHBondContact OD2-NH1 3.16Å; F165-R174 HydrophobicContact CD1-CB 4.37Å; F165-R174 WeakPolarHBondContact CD1-O 3.3Å; K172-R174 HydrophobicContact CB-CG 4.01Å; K172-R174 PolarHBondContact O-N 3.49Å
175	P	86.9	Confident	90.2	Very high	97 Å²	97	52.7 Å²	52.7	63%	0.63	30%	0.304	S	S	*	.			trans	-65.6	143.6	175.8	27.4	-34	0	0	0	110.9	T177	P175-T177 HydrophobicContact CG-CG2 4.4Å; P175-T177 PolarHBondContact O-N 2.82Å
176	V	90.3	Very high	90.2	Very high	25 Å²	25	52.2 Å²	52.2	15%	0.152	30%	0.303	C	S	.	.			trans	-80.4	108.5	172.9	-176.5	0	0	0	0	108.3	L153 F165 L180 A217 L218	L153-V176 HydrophobicContact CD1-CB 4.41Å; L153-V176 HydrophobicContact CD1-CG1 3.71Å; L153-V176 HydrophobicContact CD1-CG2 3.77Å; F165-V176 HydrophobicContact CD1-CG2 3.95Å; F165-V176 HydrophobicContact CE1-CG2 4.23Å; V176-L180 HydrophobicContact CG1-CD2 4.06Å; V176-L180 HydrophobicContact CG1-CG 4.46Å; V176-A217 HydrophobicContact CB-CB 4.12Å; V176-A217 HydrophobicContact CG1-CB 3.84Å; V176-L218 HydrophobicContact CG2-CD1 4.13Å
177	T	86.1	Confident	90.4	Very high	118 Å²	118	52.2 Å²	52.2	72%	0.724	30%	0.303	S	S	*	.			trans	-102.2	-23.3	-173.7	55	0	0	0	0	114	P175	P175-T177 HydrophobicContact CG-CG2 4.4Å; P175-T177 PolarHBondContact O-N 2.82Å
178	R	90.7	Very high	90.8	Very high	119 Å²	119	51.2 Å²	51.2	45%	0.449	30%	0.297	S	S	.	.	S	Bend	trans	-90.1	147.1	176.6	-54.1	-179.3	179.7	175.1	0.5	110.7	C156 H157 D159 L180	C156-R178 WeakPolarHBondContact O-CD 3.32Å; C156-R178 PolarHBondContact O-NH1 3.36Å; C156-R178 VanDerWaalsContact O-NH1 3.1Å; H157-R178 WeakPolarHBondContact NE2-CB 3.48Å; H157-R178 WeakPolarHBondContact NE2-CG 3.04Å; D159-R178 IonicContact OD2-NH2 3.11Å; R178-L180 PolarHBondContact O-N 3.48Å
179	A	92.4	Very high	91.3	Very high	96 Å²	96	49.1 Å²	49.1	79%	0.793	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-64.2	132.5	170.8	0	0	0	0	0	109.9
180	L	95.4	Very high	91.9	Very high	32 Å²	32	45.6 Å²	45.6	17%	0.168	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-84.9	159.6	174.5	-53.5	-168.1	0	0	0	110.1	L153 C156 V176 R178 A217 L218	L153-L180 HydrophobicContact CB-CD1 4.34Å; L153-L180 HydrophobicContact CD1-CD1 4.27Å; L153-L180 HydrophobicContact CD1-CD2 3.89Å; C156-L180 HydrophobicContact CB-CD2 3.97Å; V176-L180 HydrophobicContact CG1-CD2 4.06Å; V176-L180 HydrophobicContact CG1-CG 4.46Å; R178-L180 PolarHBondContact O-N 3.48Å; L180-A217 HydrophobicContact CD1-CB 4.36Å; L180-A217 WeakPolarHBondContact CD1-O 3.04Å; L180-A217 HydrophobicContact CG-CB 4.43Å; L180-L218 HydrophobicContact CD1-CD1 4.21Å; L180-L218 HydrophobicContact CD1-CG 4.43Å
181	K	95.5	Very high	92.3	Very high	58 Å²	58	44.1 Å²	44.1	25%	0.252	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-70.2	154.8	174.3	-62	-179	-161.1	158.1	0	110.2	F133 F136 N152 L183	F133-K181 WeakPolarHBondContact O-CD 3.44Å; F133-K181 WeakPolarHBondContact O-CE 3.45Å; F133-K181 PolarHBondContact O-NZ 3.4Å; F136-K181 HydrophobicContact CD2-CB 4.07Å; F136-K181 HydrophobicContact CE2-CB 4.18Å; F136-K181 HydrophobicContact CE2-CD 3.95Å; N152-K181 PolarHBondContact ND2-O 3.28Å; N152-K181 WeakPolarHBondContact OD1-CB 3.38Å; N152-K181 PolarHBondContact OD1-N 2.83Å; K181-L183 PolarHBondContact O-N 3.42Å
182	P	95	Very high	92.6	Very high	37 Å²	37	45.4 Å²	45.4	24%	0.24	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-54.9	136.5	175.8	-25	34.3	0	0	0	111.7	L73 V135 F136 T221	L73-P182 HydrophobicContact CD1-CB 4.1Å; L73-P182 HydrophobicContact CD2-CG 4.27Å; V135-P182 HydrophobicContact CG1-CB 4.29Å; V135-P182 HydrophobicContact CG2-CB 4.32Å; V135-P182 HydrophobicContact CG2-CG 4.38Å; F136-P182 PolarHBondContact N-O 3.41Å; P182-T221 WeakPolarHBondContact CA-OG1 3.42Å
183	L	95.6	Very high	92.8	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.3	176.6	170.8	60.5	0	0	0	109.4	F136 A138 C148 K149 K181 P220 T221 L222	F136-L183 HydrophobicContact CB-CD1 3.72Å; F136-L183 WeakPolarHBondContact O-CA 3.24Å; A138-L183 HydrophobicContact CB-CD1 4.32Å; C148-L183 HydrophobicContact CB-CD1 4.37Å; C148-L183 VanDerWaalsContact SG-CD1 3.59Å; K149-L183 HydrophobicContact CG-CD2 3.61Å; K181-L183 PolarHBondContact O-N 3.42Å; L183-P220 HydrophobicContact CD2-CB 4.29Å; L183-P220 HydrophobicContact CD2-CG 3.92Å; L183-P220 HydrophobicContact CG-CB 4.12Å; L183-P220 HydrophobicContact CG-CG 4.25Å; L183-P220 CarbonylContact O-C 3.45Å; L183-T221 PolarHBondContact N-OG1 3.31Å; L183-T221 VanDerWaalsContact N-OG1 3.15Å; L183-T221 PolarHBondContact O-N 2.9Å; L183-L222 PolarHBondContact O-N 3.4Å
184	I	94.7	Very high	93.2	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.015	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.4	171	-56.1	-176.4	0	0	0	108.4	L67 L70 F136 V137 A138 V186 L222 I224	L67-I184 HydrophobicContact CD2-CD1 4.23Å; L70-I184 HydrophobicContact CD2-CD1 3.53Å; L70-I184 HydrophobicContact CG-CD1 4.06Å; F136-I184 PolarHBondContact O-N 3.47Å; V137-I184 CarbonylContact C-O 3.57Å; V137-I184 VanDerWaalsContact CA-O 3.32Å; V137-I184 WeakPolarHBondContact CA-O 3.39Å; V137-I184 HydrophobicContact CG2-CB 4.31Å; A138-I184 PolarHBondContact N-O 3.05Å; I184-V186 HydrophobicContact CG2-CG2 4.41Å; I184-L222 CarbonylContact C-O 3.51Å; I184-L222 WeakPolarHBondContact CA-O 3.15Å; I184-I224 HydrophobicContact CG2-CD1 3.55Å; I184-I224 HydrophobicContact CG2-CG1 3.94Å
185	A	95.9	Very high	93.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.5	178.3	0	0	0	0	0	110.4	I145 P187 E195 P220 L222 G223 I224	I145-A185 HydrophobicContact CD1-CB 4.26Å; I145-A185 HydrophobicContact CG1-CB 4.33Å; I145-A185 HydrophobicContact CG2-CB 4.1Å; A185-P187 WeakPolarHBondContact O-CD 3.37Å; A185-E195 HydrophobicContact CB-CB 3.7Å; A185-P220 HydrophobicContact CB-CB 3.86Å; A185-P220 HydrophobicContact CB-CG 3.81Å; A185-L222 PolarHBondContact N-O 3.49Å; A185-G223 CarbonylContact O-C 3.55Å; A185-G223 VanDerWaalsContact O-CA 3.32Å; A185-G223 WeakPolarHBondContact O-CA 3.3Å; A185-I224 PolarHBondContact O-N 3.18Å
186	V	95.5	Very high	93.8	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	86	178.8	-171.5	0	0	0	0	107.7	V95 A138 V139 G140 I184 I224 H229	V95-V186 HydrophobicContact CG2-CG1 4.49Å; V95-V186 HydrophobicContact CG2-CG2 4.38Å; A138-V186 PolarHBondContact O-N 2.87Å; V139-V186 HydrophobicContact CB-CB 4.47Å; V139-V186 HydrophobicContact CG1-CB 4.35Å; V139-V186 HydrophobicContact CG1-CG1 4.4Å; V139-V186 HydrophobicContact CG2-CB 4.1Å; V139-V186 HydrophobicContact CG2-CG2 4.2Å; G140-V186 PolarHBondContact N-O 3.28Å; I184-V186 HydrophobicContact CG2-CG2 4.41Å; V186-I224 HydrophobicContact CG2-CB 4.23Å; V186-H229 VanDerWaalsContact CG1-CE1 3.4Å; V186-H229 WeakPolarHBondContact CG1-CE1 3.39Å
187	P	95.9	Very high	94	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	141.9	179.8	26.1	-36.5	0	0	0	111.8	G140 I145 A185 E195 I224 V225	G140-P187 CarbonylContact O-C 3.33Å; G140-P187 WeakPolarHBondContact O-CA 3.11Å; I145-P187 HydrophobicContact CD1-CB 4.37Å; A185-P187 WeakPolarHBondContact O-CD 3.37Å; P187-E195 HydrophobicContact CG-CB 4.31Å; P187-E195 HydrophobicContact CG-CG 3.95Å; P187-I224 WeakPolarHBondContact CD-O 3.27Å; P187-V225 HydrophobicContact CG-CG2 4.13Å
188	T	94.8	Very high	94.3	Very high	6 Å²	6	21 Å²	21	4%	0.037	12%	0.121	C	C	.	.			trans	-117.9	-2.3	172.8	59.8	0	0	0	0	112.3	V86 P91 V139 G140 G141 H229 M233	V86-T188 HydrophobicContact CG1-CG2 4.18Å; P91-T188 HydrophobicContact CB-CG2 3.62Å; P91-T188 HydrophobicContact CG-CG2 3.88Å; V139-T188 HydrophobicContact CG1-CG2 4.33Å; G140-T188 VanDerWaalsContact CA-OG1 3.24Å; G140-T188 WeakPolarHBondContact CA-OG1 3.46Å; G140-T188 PolarHBondContact O-N 3Å; G140-T188 PolarHBondContact O-OG1 2.95Å; G140-T188 VanDerWaalsContact O-OG1 3.13Å; G141-T188 PolarHBondContact N-OG1 3.17Å; T188-H229 HydrophobicContact CG2-CB 4.3Å; T188-M233 WeakPolarHBondContact O-CG 3.22Å
189	T	94.8	Very high	94.3	Very high	22 Å²	22	15.7 Å²	15.7	14%	0.135	10%	0.102	C	C	.	.	S	Bend	trans	-123.3	134.4	178.5	59.4	0	0	0	0	111.1	G141 G191 M233 V237	G141-T189 WeakPolarHBondContact CA-OG1 3.36Å; T189-G191 PolarHBondContact O-N 3.45Å; T189-M233 HydrophobicContact CG2-CE 4.2Å; T189-V237 HydrophobicContact CG2-CG1 4.46Å
190	A	94.3	Very high	94.4	Very high	8 Å²	8	11.1 Å²	11.1	7%	0.066	6%	0.064	C	C	.	.	S	Bend	trans	-88.1	69.8	175.4	0	0	0	0	0	111.7	T230 S241 M312 H313	A190-T230 HydrophobicContact CB-CG2 4.08Å; A190-S241 CarbonylContact O-C 3.58Å; A190-S241 WeakPolarHBondContact O-CB 3.45Å; A190-M312 HydrophobicContact CB-CB 4.19Å; A190-H313 HydrophobicContact CB-CB 4.35Å
191	G	92.9	Very high	94.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.062	C	C	.	.	S	Bend	trans	-148.7	-76.5	-173.8	0	0	0	0	0	115.5	T189 G193 S241 V245 S316	T189-G191 PolarHBondContact O-N 3.45Å; G191-G193 VanDerWaalsContact C-N 3.29Å; G191-G193 PolarHBondContact O-N 3.25Å; G191-S241 VanDerWaalsContact CA-O 3.26Å; G191-S241 WeakPolarHBondContact CA-O 3.41Å; G191-V245 WeakPolarHBondContact O-CG2 3.44Å; G191-S316 PolarHBondContact N-OG 3.4Å; G191-S316 PolarHBondContact O-OG 2.72Å
192	T	92	Very high	94.2	Very high	38 Å²	38	8.1 Å²	8.1	23%	0.233	5%	0.05	C	C	.	.			trans	-71	-19.9	-162.2	65.9	0	0	0	0	115	G142 S194 D244	G142-T192 WeakPolarHBondContact CA-OG1 3.5Å; T192-S194 PolarHBondContact O-N 2.93Å; T192-S194 VanDerWaalsContact O-N 3.08Å; T192-S194 WeakPolarHBondContact OG1-CB 3.47Å; T192-S194 PolarHBondContact OG1-N 3.25Å; T192-D244 WeakPolarHBondContact CA-OD2 3.49Å
193	G	94	Very high	93.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.047	C	C	.	.			trans	55.4	22.5	-169.8	0	0	0	0	0	113.4	G191 E195 T196 T197 S316	G191-G193 VanDerWaalsContact C-N 3.29Å; G191-G193 PolarHBondContact O-N 3.25Å; G193-E195 WeakPolarHBondContact CA-OE2 3.46Å; G193-E195 PolarHBondContact O-N 3.18Å; G193-E195 VanDerWaalsContact O-N 3.12Å; G193-T196 PolarHBondContact O-N 3.32Å; G193-T196 PolarHBondContact O-OG1 2.89Å; G193-T197 WeakPolarHBondContact O-CG2 3.13Å; G193-S316 PolarHBondContact N-OG 3.34Å; G193-S316 VanDerWaalsContact N-OG 3.13Å
194	S	95.4	Very high	93.6	Very high	3 Å²	3	9.5 Å²	9.5	2%	0.021	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-60	-28	-173.2	-179	0	0	0	0	112.1	I145 D146 K149 T192 T196 T197	I145-S194 VanDerWaalsContact CG2-OG 3.22Å; I145-S194 WeakPolarHBondContact CG2-OG 3.11Å; D146-S194 PolarHBondContact OD1-OG 3.28Å; K149-S194 WeakPolarHBondContact CE-O 3.36Å; K149-S194 PolarHBondContact NZ-O 3.47Å; K149-S194 PolarHBondContact NZ-OG 3.13Å; T192-S194 PolarHBondContact O-N 2.93Å; T192-S194 VanDerWaalsContact O-N 3.08Å; T192-S194 WeakPolarHBondContact OG1-CB 3.47Å; T192-S194 PolarHBondContact OG1-N 3.25Å; S194-T196 PolarHBondContact O-N 3.13Å; S194-T196 VanDerWaalsContact O-N 3.14Å; S194-T197 PolarHBondContact O-N 3.48Å
195	E	95.3	Very high	93.3	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.009	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-60.1	-19.2	172.6	73.6	-73	174.6	0	0	114.2	I52 I145 A185 P187 G193 P220 V225 V317	I52-E195 HydrophobicContact CD1-CG 4.23Å; I145-E195 HydrophobicContact CD1-CB 4.42Å; A185-E195 HydrophobicContact CB-CB 3.7Å; P187-E195 HydrophobicContact CG-CB 4.31Å; P187-E195 HydrophobicContact CG-CG 3.95Å; G193-E195 WeakPolarHBondContact CA-OE2 3.46Å; G193-E195 PolarHBondContact O-N 3.18Å; G193-E195 VanDerWaalsContact O-N 3.12Å; E195-P220 WeakPolarHBondContact O-CG 3.44Å; E195-V225 HydrophobicContact CG-CG2 4.47Å; E195-V317 WeakPolarHBondContact OE1-CG2 3.28Å
196	T	94.4	Very high	92.8	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-109.6	-5.3	-179.6	72.3	0	0	0	0	113.9	S50 I52 G193 S194 R219 V317 G320 I321	S50-T196 PolarHBondContact OG-O 3.29Å; I52-T196 HydrophobicContact CD1-CG2 3.74Å; I52-T196 HydrophobicContact CG1-CG2 4.32Å; G193-T196 PolarHBondContact O-N 3.32Å; G193-T196 PolarHBondContact O-OG1 2.89Å; S194-T196 PolarHBondContact O-N 3.13Å; S194-T196 VanDerWaalsContact O-N 3.14Å; T196-R219 PolarHBondContact O-NE 2.92Å; T196-V317 HydrophobicContact CG2-CG1 3.93Å; T196-G320 WeakPolarHBondContact OG1-CA 3.47Å; T196-G320 PolarHBondContact OG1-O 3.38Å; T196-I321 HydrophobicContact CG2-CG1 4.15Å; T196-I321 PolarHBondContact OG1-N 3.03Å
197	T	93.3	Very high	92.1	Very high	5 Å²	5	23 Å²	23	3%	0.031	13%	0.126	C	C	.	.			trans	-112.6	153.1	-170.5	68.1	0	0	0	0	113.2	K149 G193 S194 V199 R219 F323	K149-T197 VanDerWaalsContact CE-O 3.24Å; K149-T197 WeakPolarHBondContact CE-O 3.41Å; K149-T197 PolarHBondContact NZ-O 3.43Å; K149-T197 PolarHBondContact NZ-OG1 3.04Å; G193-T197 WeakPolarHBondContact O-CG2 3.13Å; S194-T197 PolarHBondContact O-N 3.48Å; T197-V199 VanDerWaalsContact C-N 3.29Å; T197-V199 PolarHBondContact O-N 2.86Å; T197-R219 WeakPolarHBondContact O-CA 3.33Å; T197-F323 HydrophobicContact CG2-CE1 4.06Å; T197-F323 HydrophobicContact CG2-CE2 4.09Å; T197-F323 HydrophobicContact CG2-CZ 3.6Å
198	G	91.8	Very high	91.4	Very high	5 Å²	5	29.8 Å²	29.8	5%	0.052	16%	0.156	C	C	.	.	S	Bend	trans	-92.9	29.6	172.5	0	0	0	0	0	113.4	A214 S215	G198-A214 WeakPolarHBondContact O-CA 3.42Å; G198-S215 CarbonylContact C-O 3.28Å; G198-S215 WeakPolarHBondContact CA-O 3.38Å; G198-S215 CarbonylContact O-C 3.57Å; G198-S215 PolarHBondContact O-N 2.91Å
199	V	92.2	Very high	90.6	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.042	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141.3	-177.9	-176.6	0	0	0	0	109.5	K149 T197 I201 I213 A214 Y274	K149-V199 WeakPolarHBondContact CD-O 3.32Å; K149-V199 PolarHBondContact NZ-O 3.4Å; T197-V199 VanDerWaalsContact C-N 3.29Å; T197-V199 PolarHBondContact O-N 2.86Å; V199-I201 HydrophobicContact CG1-CD1 3.44Å; V199-I201 VanDerWaalsContact CG1-CD1 3.44Å; V199-I201 HydrophobicContact CG1-CG1 3.89Å; V199-I213 VanDerWaalsContact CA-O 3.31Å; V199-I213 WeakPolarHBondContact CA-O 3.45Å; V199-A214 HydrophobicContact CG2-CB 4.22Å; V199-Y274 HydrophobicContact CG2-CE1 4.15Å
200	A	94.8	Very high	90.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	121.3	167.9	0	0	0	0	0	109	D146 K149 G212 I213 L218	D146-A200 HydrophobicContact CB-CB 4.03Å; K149-A200 HydrophobicContact CB-CB 4.19Å; K149-A200 HydrophobicContact CD-CB 4.36Å; A200-G212 CarbonylContact O-C 3.57Å; A200-G212 WeakPolarHBondContact O-CA 3.38Å; A200-I213 PolarHBondContact N-O 3.44Å; A200-I213 PolarHBondContact O-N 3.22Å; A200-L218 HydrophobicContact CB-CD2 4Å
201	I	92.6	Very high	89.8	Confident	25 Å²	25	28.8 Å²	28.8	13%	0.128	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	143.4	-176.6	-57.7	-57.6	0	0	0	110.4	P116 F121 D146 V199 K210 T211	P116-I201 WeakPolarHBondContact CG-O 3.42Å; F121-I201 WeakPolarHBondContact CZ-O 3.44Å; D146-I201 PolarHBondContact OD2-N 3.2Å; V199-I201 HydrophobicContact CG1-CD1 3.44Å; V199-I201 VanDerWaalsContact CG1-CD1 3.44Å; V199-I201 HydrophobicContact CG1-CG1 3.89Å; I201-K210 HydrophobicContact CG2-CB 4.23Å; I201-K210 HydrophobicContact CG2-CD 4.15Å; I201-K210 HydrophobicContact CG2-CG 4.41Å; I201-T211 WeakPolarHBondContact CA-O 3.37Å
202	F	93	Very high	89.7	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.009	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	156.6	173.1	66.6	-82.8	0	0	0	111.5	P116 D118 F121 F162 V166 Y204 K210 T211	P116-F202 HydrophobicContact CG-CB 4.35Å; P116-F202 CarbonylContact O-C 3.49Å; P116-F202 WeakPolarHBondContact O-CA 3.36Å; P116-F202 WeakPolarHBondContact O-CB 3.48Å; D118-F202 HydrophobicContact CB-CD2 3.84Å; D118-F202 HydrophobicContact CB-CE2 3.69Å; F121-F202 HydrophobicContact CD1-CB 4.32Å; F121-F202 HydrophobicContact CD2-CB 4Å; F121-F202 AromaticContact CD2-CD1 3.77Å; F121-F202 HydrophobicContact CD2-CD1 3.77Å; F121-F202 HydrophobicContact CD2-CE1 4.43Å; F121-F202 AromaticContact CD2-CG 3.91Å; F121-F202 HydrophobicContact CD2-CG 3.91Å; F121-F202 HydrophobicContact CE1-CB 4.06Å; F121-F202 HydrophobicContact CE2-CB 3.71Å; F121-F202 AromaticContact CE2-CD1 3.48Å; F121-F202 HydrophobicContact CE2-CD1 3.48Å; F121-F202 VanDerWaalsContact CE2-CD1 3.48Å; F121-F202 HydrophobicContact CE2-CE1 4.36Å; F121-F202 AromaticContact CE2-CG 3.83Å; F121-F202 HydrophobicContact CE2-CG 3.83Å; F121-F202 HydrophobicContact CG-CB 4.31Å; F121-F202 HydrophobicContact CZ-CB 3.75Å; F121-F202 HydrophobicContact CZ-CD1 4.28Å; F121-F202 HydrophobicContact CZ-CG 4.38Å; F162-F202 AromaticContact CE1-CE2 3.79Å; F162-F202 HydrophobicContact CE1-CE2 3.79Å; F162-F202 AromaticContact CE1-CZ 3.73Å; F162-F202 HydrophobicContact CE1-CZ 3.73Å; F162-F202 HydrophobicContact CZ-CD2 4.34Å; F162-F202 HydrophobicContact CZ-CE1 4.17Å; F162-F202 AromaticContact CZ-CE2 3.8Å; F162-F202 HydrophobicContact CZ-CE2 3.8Å; F162-F202 AromaticContact CZ-CZ 3.69Å; F162-F202 HydrophobicContact CZ-CZ 3.69Å; V166-F202 HydrophobicContact CG1-CZ 4.2Å; V166-F202 HydrophobicContact CG2-CE1 3.95Å; V166-F202 HydrophobicContact CG2-CZ 3.76Å; F202-Y204 HydrophobicContact CE2-CD2 4.03Å; F202-Y204 HydrophobicContact CE2-CG 4.46Å; F202-K210 WeakPolarHBondContact O-CA 3.42Å; F202-T211 HydrophobicContact CD1-CG2 4.36Å; F202-T211 HydrophobicContact CD2-CG2 4.31Å; F202-T211 HydrophobicContact CE1-CG2 3.73Å; F202-T211 HydrophobicContact CE2-CG2 3.64Å; F202-T211 HydrophobicContact CZ-CG2 3.32Å; F202-T211 PolarHBondContact N-O 3.3Å; F202-T211 PolarHBondContact O-N 3.05Å; F202-T211 VanDerWaalsContact O-O 3.12Å
203	D	89.9	Confident	89.7	Confident	30 Å²	30	27.1 Å²	27.1	16%	0.16	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	118.8	170	-71.1	-42.2	0	0	0	109.9	P116 T117 D118 E205 K210	P116-D203 PolarHBondContact O-N 3.14Å; T117-D203 CarbonylContact C-O 3.52Å; T117-D203 WeakPolarHBondContact CA-O 3.41Å; T117-D203 HydrophobicContact CG2-CB 4.3Å; D118-D203 PolarHBondContact N-O 3.22Å; D203-E205 PolarHBondContact O-N 3.23Å; D203-K210 WeakPolarHBondContact OD1-CE 3.47Å; D203-K210 WeakPolarHBondContact OD1-CG 3.49Å
204	Y	88.9	Confident	89.5	Confident	41 Å²	41	28.7 Å²	28.7	16%	0.161	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	98.6	173.4	-172.3	-123.4	0	0	0	109.3	D118 L163 I170 F202 P206 L207 K208 A209	D118-Y204 HydrophobicContact CB-CD2 4.02Å; L163-Y204 HydrophobicContact CD2-CE2 4.14Å; I170-Y204 HydrophobicContact CG2-CD1 4.01Å; I170-Y204 HydrophobicContact CG2-CE1 4.16Å; F202-Y204 HydrophobicContact CE2-CD2 4.03Å; F202-Y204 HydrophobicContact CE2-CG 4.46Å; Y204-P206 VanDerWaalsContact C-N 3.31Å; Y204-P206 HydrophobicContact CD1-CB 4.34Å; Y204-P206 HydrophobicContact CD1-CG 4.46Å; Y204-P206 HydrophobicContact CD2-CG 4.33Å; Y204-P206 HydrophobicContact CE1-CB 3.83Å; Y204-P206 HydrophobicContact CE1-CG 4Å; Y204-P206 HydrophobicContact CE2-CG 3.84Å; Y204-L207 HydrophobicContact CD1-CB 3.85Å; Y204-L207 HydrophobicContact CD1-CD1 3.69Å; Y204-L207 HydrophobicContact CD1-CG 3.6Å; Y204-L207 HydrophobicContact CE1-CB 4.47Å; Y204-L207 HydrophobicContact CE1-CD1 3.9Å; Y204-L207 HydrophobicContact CE1-CG 3.76Å; Y204-L207 PolarHBondContact O-N 3.15Å; Y204-K208 PolarHBondContact O-N 3.12Å; Y204-K208 VanDerWaalsContact O-N 3.1Å; Y204-A209 PolarHBondContact N-O 2.78Å
205	E	86.9	Confident	89.2	Confident	104 Å²	104	29.7 Å²	29.7	49%	0.486	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-53.4	-40.5	-172.4	-59.9	179.3	95.6	0	0	113	T117 D118 S119 D203 L207 K208	T117-E205 HydrophobicContact CG2-CG 4.09Å; D118-E205 PolarHBondContact OD1-N 3.26Å; S119-E205 WeakPolarHBondContact CB-OE2 3.22Å; S119-E205 PolarHBondContact OG-OE2 3.08Å; D203-E205 PolarHBondContact O-N 3.23Å; E205-L207 VanDerWaalsContact C-N 3.25Å; E205-L207 PolarHBondContact O-N 3.24Å; E205-K208 PolarHBondContact O-N 3.26Å
206	P	85.9	Confident	88.9	Confident	88 Å²	88	32.2 Å²	32.2	57%	0.571	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-61.9	-26.6	179	-26	36.8	0	0	0	115.2	Y204	Y204-P206 VanDerWaalsContact C-N 3.31Å; Y204-P206 HydrophobicContact CD1-CB 4.34Å; Y204-P206 HydrophobicContact CD1-CG 4.46Å; Y204-P206 HydrophobicContact CD2-CG 4.33Å; Y204-P206 HydrophobicContact CE1-CB 3.83Å; Y204-P206 HydrophobicContact CE1-CG 4Å; Y204-P206 HydrophobicContact CE2-CG 3.84Å
207	L	80.6	Confident	88.7	Confident	97 Å²	97	34.2 Å²	34.2	51%	0.508	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-105.6	-3.6	178.8	-66.6	179	0	0	0	113.4	I170 Y204 E205 A209	I170-L207 HydrophobicContact CD1-CD1 4.15Å; I170-L207 HydrophobicContact CG1-CD1 3.95Å; I170-L207 HydrophobicContact CG2-CD1 4.02Å; Y204-L207 HydrophobicContact CD1-CB 3.85Å; Y204-L207 HydrophobicContact CD1-CD1 3.69Å; Y204-L207 HydrophobicContact CD1-CG 3.6Å; Y204-L207 HydrophobicContact CE1-CB 4.47Å; Y204-L207 HydrophobicContact CE1-CD1 3.9Å; Y204-L207 HydrophobicContact CE1-CG 3.76Å; Y204-L207 PolarHBondContact O-N 3.15Å; E205-L207 VanDerWaalsContact C-N 3.25Å; E205-L207 PolarHBondContact O-N 3.24Å; L207-A209 HydrophobicContact CB-CB 4.43Å; L207-A209 PolarHBondContact O-N 2.74Å
208	K	81.3	Confident	88.7	Confident	141 Å²	141	34.1 Å²	34.1	61%	0.613	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	39.6	-172.9	-57.5	-174.2	177.4	-172.7	0	112.6	Y204 E205 G340 N341	Y204-K208 PolarHBondContact O-N 3.12Å; Y204-K208 VanDerWaalsContact O-N 3.1Å; E205-K208 PolarHBondContact O-N 3.26Å; K208-G340 CarbonylContact O-C 3.53Å; K208-G340 WeakPolarHBondContact O-CA 3.45Å; K208-N341 WeakPolarHBondContact CB-OD1 3.45Å; K208-N341 PolarHBondContact O-OD1 3.23Å
209	A	77.5	Confident	88.9	Confident	7 Å²	7	35.6 Å²	35.6	6%	0.058	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	147.9	-176.9	0	0	0	0	0	110.5	Y204 L207	Y204-A209 PolarHBondContact N-O 2.78Å; L207-A209 HydrophobicContact CB-CB 4.43Å; L207-A209 PolarHBondContact O-N 2.74Å
210	K	85.1	Confident	89	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	143.9	169.7	-71.7	-177.6	-178.4	-169.7	0	110.9	E115 I201 F202 D203 Y336 A339 Q442	E115-K210 IonicContact OE1-NZ 3.4Å; E115-K210 PolarHBondContact OE1-NZ 2.93Å; E115-K210 IonicContact OE2-NZ 2.74Å; E115-K210 PolarHBondContact OE2-NZ 2.81Å; I201-K210 HydrophobicContact CG2-CB 4.23Å; I201-K210 HydrophobicContact CG2-CD 4.15Å; I201-K210 HydrophobicContact CG2-CG 4.41Å; F202-K210 WeakPolarHBondContact O-CA 3.42Å; D203-K210 WeakPolarHBondContact OD1-CE 3.47Å; D203-K210 WeakPolarHBondContact OD1-CG 3.49Å; K210-Y336 HydrophobicContact CB-CD1 4.02Å; K210-Y336 HydrophobicContact CB-CD2 3.69Å; K210-Y336 HydrophobicContact CB-CE2 4.29Å; K210-Y336 HydrophobicContact CB-CG 3.58Å; K210-Y336 HydrophobicContact CD-CD1 4.23Å; K210-Y336 WeakPolarHBondContact O-CD2 3.23Å; K210-A339 HydrophobicContact CD-CB 4.21Å; K210-A339 VanDerWaalsContact CE-CB 3.49Å; K210-Q442 PolarHBondContact O-NE2 3.15Å; K210-Q442 PolarHBondContact O-OE1 3.4Å
211	T	87.9	Confident	89	Confident	6 Å²	6	38.7 Å²	38.7	4%	0.037	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	-174.3	167.7	-169.9	0	0	0	0	108.6	V166 I170 I201 F202	V166-T211 HydrophobicContact CG1-CG2 3.92Å; I170-T211 HydrophobicContact CG2-CG2 4.35Å; I201-T211 WeakPolarHBondContact CA-O 3.37Å; F202-T211 HydrophobicContact CD1-CG2 4.36Å; F202-T211 HydrophobicContact CD2-CG2 4.31Å; F202-T211 HydrophobicContact CE1-CG2 3.73Å; F202-T211 HydrophobicContact CE2-CG2 3.64Å; F202-T211 HydrophobicContact CZ-CG2 3.32Å; F202-T211 PolarHBondContact N-O 3.3Å; F202-T211 PolarHBondContact O-N 3.05Å; F202-T211 VanDerWaalsContact O-O 3.12Å
212	G	90.2	Very high	89	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	-175.3	175.3	0	0	0	0	0	114.5	N167 A200	N167-G212 WeakPolarHBondContact CB-O 3.48Å; N167-G212 VanDerWaalsContact CG-O 3.24Å; N167-G212 PolarHBondContact N-O 2.98Å; N167-G212 PolarHBondContact ND2-O 2.65Å; A200-G212 CarbonylContact O-C 3.57Å; A200-G212 WeakPolarHBondContact O-CA 3.38Å
213	I	92.3	Very high	89.1	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.4	175.6	-58	169	0	0	0	106.6	L153 Y154 F165 V166 V199 A200 L218	L153-I213 HydrophobicContact CD2-CD1 3.93Å; L153-I213 HydrophobicContact CD2-CG2 3.98Å; Y154-I213 HydrophobicContact CE2-CD1 3.8Å; F165-I213 HydrophobicContact CB-CD1 4.36Å; F165-I213 HydrophobicContact CB-CG1 4.44Å; F165-I213 HydrophobicContact CB-CG2 4Å; V166-I213 HydrophobicContact CG2-CG1 4.17Å; V199-I213 VanDerWaalsContact CA-O 3.31Å; V199-I213 WeakPolarHBondContact CA-O 3.45Å; A200-I213 PolarHBondContact N-O 3.44Å; A200-I213 PolarHBondContact O-N 3.22Å; I213-L218 HydrophobicContact CB-CD2 4.12Å; I213-L218 HydrophobicContact CG2-CD1 4.2Å; I213-L218 HydrophobicContact CG2-CD2 3.75Å
214	A	90.3	Very high	89.2	Confident	33 Å²	33	37.2 Å²	37.2	27%	0.273	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	110.3	177	0	0	0	0	0	110.3	N167 G198 V199	N167-A214 PolarHBondContact ND2-N 2.98Å; N167-A214 PolarHBondContact OD1-N 3.16Å; G198-A214 WeakPolarHBondContact O-CA 3.42Å; V199-A214 HydrophobicContact CG2-CB 4.22Å
215	S	89.6	Confident	89.5	Confident	25 Å²	25	35.2 Å²	35.2	18%	0.175	19%	0.192	C	C	.	.			trans	-153	139.6	172.5	173.8	0	0	0	0	110.5	G198 A217 L218	G198-S215 CarbonylContact C-O 3.28Å; G198-S215 WeakPolarHBondContact CA-O 3.38Å; G198-S215 CarbonylContact O-C 3.57Å; G198-S215 PolarHBondContact O-N 2.91Å; S215-A217 PolarHBondContact O-N 2.85Å; S215-A217 VanDerWaalsContact O-N 3.08Å; S215-A217 PolarHBondContact OG-N 2.56Å; S215-L218 WeakPolarHBondContact O-CB 3.36Å; S215-L218 PolarHBondContact O-N 2.85Å
216	R	88.5	Confident	89.8	Confident	54 Å²	54	30.3 Å²	30.3	20%	0.204	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-57.2	-26.5	175.4	-66.1	176.3	-179.4	163	-4	112.4	E46 L218 R219 P272	E46-R216 IonicContact OE1-NH1 3.19Å; E46-R216 PolarHBondContact OE1-NH1 2.93Å; E46-R216 IonicContact OE2-CZ 3.54Å; E46-R216 IonicContact OE2-NH1 2.69Å; E46-R216 PolarHBondContact OE2-NH1 2.93Å; E46-R216 IonicContact OE2-NH2 2.62Å; R216-L218 PolarHBondContact O-N 3.25Å; R216-R219 WeakPolarHBondContact O-CB 3.34Å; R216-R219 PolarHBondContact O-N 2.76Å; R216-P272 PolarHBondContact NH2-O 3.31Å
217	A	90.8	Very high	90.1	Very high	43 Å²	43	26.3 Å²	26.3	36%	0.355	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-65.5	-25	176.9	0	0	0	0	0	113.4	V176 L180 S215 R219	V176-A217 HydrophobicContact CB-CB 4.12Å; V176-A217 HydrophobicContact CG1-CB 3.84Å; L180-A217 HydrophobicContact CD1-CB 4.36Å; L180-A217 WeakPolarHBondContact CD1-O 3.04Å; L180-A217 HydrophobicContact CG-CB 4.43Å; S215-A217 PolarHBondContact O-N 2.85Å; S215-A217 VanDerWaalsContact O-N 3.08Å; S215-A217 PolarHBondContact OG-N 2.56Å; A217-R219 PolarHBondContact O-N 3.28Å
218	L	93.8	Very high	90.7	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-77.5	-9	178.8	-87.7	73.9	0	0	0	112.7	K149 L153 V176 L180 A200 I213 S215 R216	K149-L218 HydrophobicContact CB-CD2 4.14Å; K149-L218 HydrophobicContact CB-CG 4.39Å; K149-L218 HydrophobicContact CD-CB 4.5Å; K149-L218 WeakPolarHBondContact CE-O 3.39Å; K149-L218 WeakPolarHBondContact CG-O 3.35Å; L153-L218 HydrophobicContact CD1-CD1 4.27Å; L153-L218 HydrophobicContact CD2-CD1 4.07Å; V176-L218 HydrophobicContact CG2-CD1 4.13Å; L180-L218 HydrophobicContact CD1-CD1 4.21Å; L180-L218 HydrophobicContact CD1-CG 4.43Å; A200-L218 HydrophobicContact CB-CD2 4Å; I213-L218 HydrophobicContact CB-CD2 4.12Å; I213-L218 HydrophobicContact CG2-CD1 4.2Å; I213-L218 HydrophobicContact CG2-CD2 3.75Å; S215-L218 WeakPolarHBondContact O-CB 3.36Å; S215-L218 PolarHBondContact O-N 2.85Å; R216-L218 PolarHBondContact O-N 3.25Å
219	R	94	Very high	91.2	Very high	37 Å²	37	19 Å²	19	14%	0.14	11%	0.111	C	C	.	.	S	Bend	trans	-62.9	132.3	-179.1	-174	-176.6	-70.6	119.1	-2.6	109.7	A48 S50 T196 T197 R216 A217	A48-R219 PolarHBondContact O-NH2 2.9Å; S50-R219 WeakPolarHBondContact OG-CD 3.41Å; S50-R219 PolarHBondContact OG-NE 2.88Å; T196-R219 PolarHBondContact O-NE 2.92Å; T197-R219 WeakPolarHBondContact O-CA 3.33Å; R216-R219 WeakPolarHBondContact O-CB 3.34Å; R216-R219 PolarHBondContact O-N 2.76Å; A217-R219 PolarHBondContact O-N 3.28Å
220	P	95.1	Very high	91.9	Very high	6 Å²	6	18.7 Å²	18.7	4%	0.039	11%	0.108	C	C	.	.			trans	-54.7	142.8	173.2	-29	39.4	0	0	0	112.1	I145 L183 A185 E195 L222	I145-P220 HydrophobicContact CG2-CG 4.44Å; L183-P220 HydrophobicContact CD2-CB 4.29Å; L183-P220 HydrophobicContact CD2-CG 3.92Å; L183-P220 HydrophobicContact CG-CB 4.12Å; L183-P220 HydrophobicContact CG-CG 4.25Å; L183-P220 CarbonylContact O-C 3.45Å; A185-P220 HydrophobicContact CB-CB 3.86Å; A185-P220 HydrophobicContact CB-CG 3.81Å; E195-P220 WeakPolarHBondContact O-CG 3.44Å; P220-L222 VanDerWaalsContact C-N 3.27Å
221	T	93.9	Very high	92.3	Very high	65 Å²	65	20.9 Å²	20.9	40%	0.399	12%	0.12	S	C	.	.	S	Bend	trans	-67.2	-33.1	176.3	-48.9	0	0	0	0	111.3	N51 P182 L183	N51-T221 WeakPolarHBondContact CB-O 3.42Å; N51-T221 PolarHBondContact ND2-O 3.3Å; P182-T221 WeakPolarHBondContact CA-OG1 3.42Å; L183-T221 PolarHBondContact N-OG1 3.31Å; L183-T221 VanDerWaalsContact N-OG1 3.15Å; L183-T221 PolarHBondContact O-N 2.9Å
222	L	93.2	Very high	92.4	Very high	23 Å²	23	22.9 Å²	22.9	12%	0.12	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	127.8	177.1	177.3	62.9	0	0	0	110.1	N51 R53 L183 I184 A185 P220 I224	N51-L222 HydrophobicContact CB-CD1 4.35Å; R53-L222 HydrophobicContact CB-CD1 4.17Å; L183-L222 PolarHBondContact O-N 3.4Å; I184-L222 CarbonylContact C-O 3.51Å; I184-L222 WeakPolarHBondContact CA-O 3.15Å; A185-L222 PolarHBondContact N-O 3.49Å; P220-L222 VanDerWaalsContact C-N 3.27Å; L222-I224 HydrophobicContact CD2-CD1 4.12Å; L222-I224 HydrophobicContact CD2-CG1 3.92Å; L222-I224 HydrophobicContact CG-CG1 3.97Å
223	G	94.8	Very high	92.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	125.9	164	0	0	0	0	0	110.9	N51 I52 R53 A185	N51-G223 PolarHBondContact O-N 2.92Å; I52-G223 WeakPolarHBondContact CA-O 3.36Å; R53-G223 PolarHBondContact N-O 2.81Å; A185-G223 CarbonylContact O-C 3.55Å; A185-G223 VanDerWaalsContact O-CA 3.32Å; A185-G223 WeakPolarHBondContact O-CA 3.3Å
224	I	93.7	Very high	92.5	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.015	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	98.9	178.5	-60.5	-178.3	0	0	0	108.6	V58 L67 I184 A185 V186 P187 L222 D226	V58-I224 HydrophobicContact CB-CG2 4.39Å; V58-I224 HydrophobicContact CG1-CG2 3.54Å; V58-I224 HydrophobicContact CG2-CG2 4.15Å; L67-I224 HydrophobicContact CD2-CD1 3.94Å; I184-I224 HydrophobicContact CG2-CD1 3.55Å; I184-I224 HydrophobicContact CG2-CG1 3.94Å; A185-I224 PolarHBondContact O-N 3.18Å; V186-I224 HydrophobicContact CG2-CB 4.23Å; P187-I224 WeakPolarHBondContact CD-O 3.27Å; L222-I224 HydrophobicContact CD2-CD1 4.12Å; L222-I224 HydrophobicContact CD2-CG1 3.92Å; L222-I224 HydrophobicContact CG-CG1 3.97Å; I224-D226 PolarHBondContact O-N 3.42Å
225	V	94.6	Very high	92.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	95.8	-172.3	-175.4	0	0	0	0	108.6	I52 R53 Y54 G55 P187 E195 H313 V317	I52-V225 HydrophobicContact CG2-CB 4.42Å; I52-V225 HydrophobicContact CG2-CG2 3.73Å; R53-V225 PolarHBondContact O-N 3.16Å; Y54-V225 WeakPolarHBondContact CA-O 3.5Å; Y54-V225 HydrophobicContact CD2-CB 4.04Å; Y54-V225 HydrophobicContact CD2-CG1 3.74Å; Y54-V225 VanDerWaalsContact CD2-O 3.3Å; Y54-V225 WeakPolarHBondContact CD2-O 3.23Å; Y54-V225 HydrophobicContact CE2-CG1 4.32Å; G55-V225 PolarHBondContact N-O 2.85Å; P187-V225 HydrophobicContact CG-CG2 4.13Å; E195-V225 HydrophobicContact CG-CG2 4.47Å; V225-H313 HydrophobicContact CG1-CB 4.48Å; V225-V317 HydrophobicContact CB-CG2 4.42Å; V225-V317 HydrophobicContact CG1-CG2 4Å; V225-V317 HydrophobicContact CG2-CG2 3.64Å
226	D	93.6	Very high	92.8	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.162	C	C	.	.			trans	-97	115.8	176.6	-161.4	-39.9	0	0	0	110.2	G57 V58 S59 I224 L228 H229 H313	G57-D226 WeakPolarHBondContact CA-OD2 3.2Å; G57-D226 VanDerWaalsContact N-CG 3.35Å; G57-D226 PolarHBondContact N-OD1 2.83Å; G57-D226 VanDerWaalsContact N-OD1 3.13Å; G57-D226 PolarHBondContact N-OD2 2.87Å; V58-D226 HydrophobicContact CG1-CB 3.76Å; V58-D226 PolarHBondContact N-OD2 2.77Å; S59-D226 PolarHBondContact N-OD2 3.34Å; S59-D226 PolarHBondContact OG-OD2 2.62Å; I224-D226 PolarHBondContact O-N 3.42Å; D226-L228 PolarHBondContact O-N 2.97Å; D226-L228 VanDerWaalsContact O-N 3.14Å; D226-L228 WeakPolarHBondContact OD1-CB 3.37Å; D226-L228 WeakPolarHBondContact OD1-CG 3.44Å; D226-L228 PolarHBondContact OD1-N 3.02Å; D226-H229 WeakPolarHBondContact O-CB 3.26Å; D226-H229 PolarHBondContact O-N 3.18Å; D226-H229 VanDerWaalsContact O-N 3.11Å; D226-H313 PolarHBondContact O-CE1 3.21Å; D226-H313 PolarHBondContact O-ND1 3.29Å; D226-H313 VanDerWaalsContact O-ND1 3.11Å
227	P	91.9	Very high	93.1	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.026	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-60.2	-22.6	178.5	24	-33.1	0	0	0	113.6	Y54 G55 A56 H229 T230 S310	Y54-P227 HydrophobicContact CE2-CB 4.29Å; Y54-P227 HydrophobicContact CE2-CG 4.2Å; G55-P227 VanDerWaalsContact C-CD 3.5Å; G55-P227 WeakPolarHBondContact O-CD 3.38Å; A56-P227 HydrophobicContact CB-CG 3.95Å; P227-H229 PolarHBondContact O-N 3.19Å; P227-T230 PolarHBondContact O-OG1 3.33Å; P227-T230 VanDerWaalsContact O-OG1 3.13Å; P227-S310 WeakPolarHBondContact CB-OG 3.35Å
228	L	92.3	Very high	93.4	Very high	78 Å²	78	26.7 Å²	26.7	41%	0.408	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-71.2	-21.4	178.8	-59.1	179.7	0	0	0	112.6	A56 D226 T230 L231 L306	A56-L228 HydrophobicContact CB-CD1 4.41Å; A56-L228 HydrophobicContact CB-CG 4.27Å; D226-L228 PolarHBondContact O-N 2.97Å; D226-L228 VanDerWaalsContact O-N 3.14Å; D226-L228 WeakPolarHBondContact OD1-CB 3.37Å; D226-L228 WeakPolarHBondContact OD1-CG 3.44Å; D226-L228 PolarHBondContact OD1-N 3.02Å; L228-T230 VanDerWaalsContact C-N 3.34Å; L228-T230 PolarHBondContact O-N 2.99Å; L228-L231 HydrophobicContact CD2-CD1 4.02Å; L228-L306 HydrophobicContact CD2-CD1 4.08Å
229	H	91.7	Very high	93.5	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.028	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-71.6	-29.4	-176.5	-66.3	177.6	0	0	0	113.3	S59 P91 V186 T188 D226 P227 L231 S232	S59-H229 WeakPolarHBondContact CB-CE1 3.32Å; S59-H229 WeakPolarHBondContact CB-NE2 3.37Å; S59-H229 PolarHBondContact OG-CE1 2.72Å; S59-H229 PolarHBondContact OG-NE2 2.74Å; P91-H229 HydrophobicContact CB-CB 4.3Å; P91-H229 HydrophobicContact CG-CB 3.83Å; V186-H229 VanDerWaalsContact CG1-CE1 3.4Å; V186-H229 WeakPolarHBondContact CG1-CE1 3.39Å; T188-H229 HydrophobicContact CG2-CB 4.3Å; D226-H229 WeakPolarHBondContact O-CB 3.26Å; D226-H229 PolarHBondContact O-N 3.18Å; D226-H229 VanDerWaalsContact O-N 3.11Å; P227-H229 PolarHBondContact O-N 3.19Å; H229-L231 VanDerWaalsContact C-N 3.3Å; H229-L231 PolarHBondContact O-N 2.98Å; H229-S232 PolarHBondContact O-OG 3.45Å
230	T	92.8	Very high	93.6	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-82.3	-8.1	-177.4	53.6	0	0	0	0	113.5	A190 P227 L228 S232 M233 R309 H313	A190-T230 HydrophobicContact CB-CG2 4.08Å; P227-T230 PolarHBondContact O-OG1 3.33Å; P227-T230 VanDerWaalsContact O-OG1 3.13Å; L228-T230 VanDerWaalsContact C-N 3.34Å; L228-T230 PolarHBondContact O-N 2.99Å; T230-S232 PolarHBondContact O-N 2.82Å; T230-M233 HydrophobicContact CG2-SD 3.72Å; T230-M233 WeakPolarHBondContact O-CB 3.38Å; T230-M233 WeakPolarHBondContact O-CG 3.39Å; T230-M233 PolarHBondContact O-N 3.4Å; T230-R309 PolarHBondContact O-NH1 3.24Å; T230-H313 HydrophobicContact CG2-CB 4.06Å; T230-H313 WeakPolarHBondContact CG2-ND1 3.24Å
231	L	92.4	Very high	93.6	Very high	48 Å²	48	25.6 Å²	25.6	25%	0.251	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-64.7	-31.7	174.3	-59.2	179.4	0	0	0	111.7	L228 H229 M233 S303 L306 R309	L228-L231 HydrophobicContact CD2-CD1 4.02Å; H229-L231 VanDerWaalsContact C-N 3.3Å; H229-L231 PolarHBondContact O-N 2.98Å; L231-M233 VanDerWaalsContact C-N 3.26Å; L231-M233 PolarHBondContact O-N 3.5Å; L231-S303 WeakPolarHBondContact CD2-O 3.17Å; L231-L306 HydrophobicContact CD1-CD1 4.29Å; L231-L306 HydrophobicContact CD2-CD1 4.09Å; L231-R309 HydrophobicContact CD2-CB 3.99Å; L231-R309 HydrophobicContact CD2-CG 4.05Å
232	S	90	Very high	93.8	Very high	47 Å²	47	22.5 Å²	22.5	33%	0.329	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-76	-8.3	178.3	67.4	0	0	0	0	114.5	H229 T230 P234	H229-S232 PolarHBondContact O-OG 3.45Å; T230-S232 PolarHBondContact O-N 2.82Å; S232-P234 WeakPolarHBondContact O-CD 3.45Å
233	M	91.8	Very high	94	Very high	12 Å²	12	21.4 Å²	21.4	6%	0.059	12%	0.118	C	C	.	.	S	Bend	trans	-74	126.4	-177.3	-61.3	167.4	69.5	0	0	111.1	T188 T189 T230 L231 V237 A238 S241 R309	T188-M233 WeakPolarHBondContact O-CG 3.22Å; T189-M233 HydrophobicContact CG2-CE 4.2Å; T230-M233 HydrophobicContact CG2-SD 3.72Å; T230-M233 WeakPolarHBondContact O-CB 3.38Å; T230-M233 WeakPolarHBondContact O-CG 3.39Å; T230-M233 PolarHBondContact O-N 3.4Å; L231-M233 VanDerWaalsContact C-N 3.26Å; L231-M233 PolarHBondContact O-N 3.5Å; M233-V237 HydrophobicContact CE-CG1 3.88Å; M233-A238 HydrophobicContact CE-CB 4.32Å; M233-S241 WeakPolarHBondContact CE-OG 3.34Å; M233-R309 PolarHBondContact O-NH1 3.38Å
234	P	92.9	Very high	94.2	Very high	61 Å²	61	21.6 Å²	21.6	40%	0.396	12%	0.119	S	C	.	.			trans	-56.6	152.1	171	-23.5	33.1	0	0	0	112.3	S232 R236 V237 A238	S232-P234 WeakPolarHBondContact O-CD 3.45Å; P234-R236 VanDerWaalsContact C-N 3.29Å; P234-R236 PolarHBondContact O-N 2.96Å; P234-V237 HydrophobicContact CB-CG2 4.13Å; P234-V237 HydrophobicContact CG-CG2 4.06Å; P234-V237 PolarHBondContact O-N 3.14Å; P234-A238 PolarHBondContact O-N 3.22Å
235	E	94.4	Very high	94.4	Very high	99 Å²	99	21.5 Å²	21.5	46%	0.463	12%	0.119	S	C	.	.	H	α-helix	trans	-46.2	-49.9	179.9	174.4	-179.5	176.2	0	0	112.7	A238 A239 V300	E235-A238 WeakPolarHBondContact O-CB 3.48Å; E235-A238 PolarHBondContact O-N 3.15Å; E235-A239 PolarHBondContact O-N 3.13Å; E235-V300 HydrophobicContact CG-CG1 3.71Å; E235-V300 WeakPolarHBondContact CG-O 3.3Å
236	R	93.4	Very high	94.6	Very high	35 Å²	35	21.5 Å²	21.5	13%	0.132	12%	0.119	C	C	.	.	H	α-helix	trans	-71.9	-31.6	-177.8	-72.1	-61.2	-179	174	1.9	114	P234 A238 A239 N240 R348 L416 Q417	P234-R236 VanDerWaalsContact C-N 3.29Å; P234-R236 PolarHBondContact O-N 2.96Å; R236-A238 VanDerWaalsContact C-N 3.33Å; R236-A239 PolarHBondContact O-N 2.67Å; R236-N240 WeakPolarHBondContact O-CB 3.39Å; R236-N240 VanDerWaalsContact O-CG 3.24Å; R236-N240 PolarHBondContact O-N 3.48Å; R236-N240 PolarHBondContact O-ND2 3.33Å; R236-R348 WeakPolarHBondContact CB-O 3.49Å; R236-R348 HydrophobicContact CG-CB 4.24Å; R236-L416 PolarHBondContact NH1-O 3Å; R236-L416 VanDerWaalsContact NH1-O 3.13Å; R236-Q417 PolarHBondContact NH1-O 3.36Å; R236-Q417 PolarHBondContact NH2-O 3.03Å
237	V	94.4	Very high	94.8	Very high	21 Å²	21	21.4 Å²	21.4	13%	0.127	12%	0.118	C	C	.	.	H	α-helix	trans	-67	-39.9	171.4	-178	0	0	0	0	109.7	T189 M233 P234 S241 Y350	T189-V237 HydrophobicContact CG2-CG1 4.46Å; M233-V237 HydrophobicContact CE-CG1 3.88Å; P234-V237 HydrophobicContact CB-CG2 4.13Å; P234-V237 HydrophobicContact CG-CG2 4.06Å; P234-V237 PolarHBondContact O-N 3.14Å; V237-S241 WeakPolarHBondContact O-CB 3.48Å; V237-S241 PolarHBondContact O-N 3.09Å; V237-S241 PolarHBondContact O-OG 3.39Å; V237-Y350 HydrophobicContact CG2-CD2 4.25Å; V237-Y350 HydrophobicContact CG2-CE1 4.17Å; V237-Y350 HydrophobicContact CG2-CE2 3.86Å
238	A	96.1	Very high	95.1	Very high	11 Å²	11	21.6 Å²	21.6	9%	0.091	12%	0.119	C	C	.	.	H	α-helix	trans	-64.6	-42.3	175.4	0	0	0	0	0	112.2	M233 P234 E235 R236 G242	M233-A238 HydrophobicContact CE-CB 4.32Å; P234-A238 PolarHBondContact O-N 3.22Å; E235-A238 WeakPolarHBondContact O-CB 3.48Å; E235-A238 PolarHBondContact O-N 3.15Å; R236-A238 VanDerWaalsContact C-N 3.33Å; A238-G242 PolarHBondContact O-N 3.34Å
239	A	96.4	Very high	95.4	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.008	10%	0.099	C	C	.	.	H	α-helix	trans	-62.2	-53.4	176.6	0	0	0	0	0	111.5	E235 R236 S241 G242 F243 M296 V300	E235-A239 PolarHBondContact O-N 3.13Å; R236-A239 PolarHBondContact O-N 2.67Å; A239-S241 VanDerWaalsContact C-N 3.33Å; A239-S241 PolarHBondContact O-N 3.13Å; A239-G242 PolarHBondContact O-N 3.42Å; A239-G242 VanDerWaalsContact O-N 3.13Å; A239-F243 HydrophobicContact CB-CE2 4.01Å; A239-F243 HydrophobicContact CB-CZ 4.44Å; A239-F243 WeakPolarHBondContact O-CD2 3.36Å; A239-F243 WeakPolarHBondContact O-CG 3.47Å; A239-F243 PolarHBondContact O-N 2.9Å; A239-M296 WeakPolarHBondContact O-CE 3.33Å; A239-V300 HydrophobicContact CB-CG1 3.98Å; A239-V300 HydrophobicContact CB-CG2 3.92Å
240	N	96	Very high	95.7	Very high	8 Å²	8	17.6 Å²	17.6	4%	0.043	10%	0.098	C	C	.	.	H	α-helix	trans	-62.1	-41.2	-180	-67.3	-21.1	0	0	0	111.9	R236 G242 F243 D244 Y350 P358 G360	R236-N240 WeakPolarHBondContact O-CB 3.39Å; R236-N240 VanDerWaalsContact O-CG 3.24Å; R236-N240 PolarHBondContact O-N 3.48Å; R236-N240 PolarHBondContact O-ND2 3.33Å; N240-G242 VanDerWaalsContact C-N 3.35Å; N240-G242 PolarHBondContact O-N 3.23Å; N240-F243 PolarHBondContact O-N 3.2Å; N240-D244 PolarHBondContact O-N 2.77Å; N240-D244 VanDerWaalsContact O-N 3.15Å; N240-Y350 WeakPolarHBondContact CB-OH 3.46Å; N240-Y350 WeakPolarHBondContact ND2-CE2 3.3Å; N240-Y350 PolarHBondContact ND2-OH 3.3Å; N240-P358 HydrophobicContact CB-CB 4.32Å; N240-P358 WeakPolarHBondContact ND2-CG 3.49Å; N240-G360 WeakPolarHBondContact O-CA 3.26Å
241	S	96	Very high	96	Very high	14 Å²	14	17.6 Å²	17.6	10%	0.098	10%	0.098	C	C	.	.	H	α-helix	trans	-62.2	-43	174.7	-57.4	0	0	0	0	111.3	A190 G191 M233 V237 A239 F243 D244 V245	A190-S241 CarbonylContact O-C 3.58Å; A190-S241 WeakPolarHBondContact O-CB 3.45Å; G191-S241 VanDerWaalsContact CA-O 3.26Å; G191-S241 WeakPolarHBondContact CA-O 3.41Å; M233-S241 WeakPolarHBondContact CE-OG 3.34Å; V237-S241 WeakPolarHBondContact O-CB 3.48Å; V237-S241 PolarHBondContact O-N 3.09Å; V237-S241 PolarHBondContact O-OG 3.39Å; A239-S241 VanDerWaalsContact C-N 3.33Å; A239-S241 PolarHBondContact O-N 3.13Å; S241-F243 VanDerWaalsContact C-N 3.34Å; S241-F243 PolarHBondContact O-N 3.29Å; S241-D244 VanDerWaalsContact O-CB 3.27Å; S241-D244 WeakPolarHBondContact O-CB 3.47Å; S241-D244 PolarHBondContact O-N 2.69Å; S241-V245 PolarHBondContact O-N 2.63Å; S241-V245 VanDerWaalsContact O-N 3.14Å
242	G	97.5	Very high	96.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.3	-34.1	176.6	0	0	0	0	0	113.7	A238 A239 N240 D244 V245 L246	A238-G242 PolarHBondContact O-N 3.34Å; A239-G242 PolarHBondContact O-N 3.42Å; A239-G242 VanDerWaalsContact O-N 3.13Å; N240-G242 VanDerWaalsContact C-N 3.35Å; N240-G242 PolarHBondContact O-N 3.23Å; G242-D244 VanDerWaalsContact C-N 3.28Å; G242-D244 PolarHBondContact O-N 3Å; G242-V245 WeakPolarHBondContact O-CB 3.29Å; G242-V245 PolarHBondContact O-N 2.75Å; G242-L246 PolarHBondContact O-N 3.05Å
243	F	97.9	Very high	96.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-65.3	-36	174.6	-65.7	-44.5	0	0	0	111.8	A239 N240 S241 L246 C247 M296 V364 F412 L413 L416 V418	A239-F243 HydrophobicContact CB-CE2 4.01Å; A239-F243 HydrophobicContact CB-CZ 4.44Å; A239-F243 WeakPolarHBondContact O-CD2 3.36Å; A239-F243 WeakPolarHBondContact O-CG 3.47Å; A239-F243 PolarHBondContact O-N 2.9Å; N240-F243 PolarHBondContact O-N 3.2Å; S241-F243 VanDerWaalsContact C-N 3.34Å; S241-F243 PolarHBondContact O-N 3.29Å; F243-L246 WeakPolarHBondContact O-CB 3.5Å; F243-L246 PolarHBondContact O-N 3.14Å; F243-C247 WeakPolarHBondContact O-CB 3.44Å; F243-C247 PolarHBondContact O-N 2.89Å; F243-M296 HydrophobicContact CD1-CE 3.39Å; F243-M296 HydrophobicContact CE1-CE 3.45Å; F243-M296 VanDerWaalsContact CE1-CE 3.45Å; F243-M296 HydrophobicContact CG-CE 3.96Å; F243-M296 HydrophobicContact CZ-CE 4.08Å; F243-M296 VanDerWaalsContact N-CE 3.34Å; F243-V364 HydrophobicContact CB-CB 3.91Å; F243-V364 HydrophobicContact CB-CG1 4.04Å; F243-V364 HydrophobicContact CB-CG2 4.11Å; F243-V364 HydrophobicContact CD1-CG1 4.41Å; F243-V364 HydrophobicContact CD1-CG2 4.1Å; F243-V364 HydrophobicContact CD2-CG1 4.05Å; F243-V364 HydrophobicContact CG-CB 4.22Å; F243-V364 HydrophobicContact CG-CG1 3.92Å; F243-V364 HydrophobicContact CG-CG2 4.22Å; F243-F412 HydrophobicContact CE1-CD1 4.46Å; F243-L413 HydrophobicContact CD1-CD2 3.78Å; F243-L413 HydrophobicContact CE1-CD2 3.54Å; F243-L413 HydrophobicContact CZ-CD2 4.14Å; F243-L416 HydrophobicContact CE1-CB 4.37Å; F243-L416 HydrophobicContact CE1-CD1 3.64Å; F243-L416 HydrophobicContact CZ-CB 3.81Å; F243-L416 HydrophobicContact CZ-CD1 3.78Å; F243-L416 HydrophobicContact CZ-CG 4.47Å; F243-V418 HydrophobicContact CD2-CG2 4.35Å; F243-V418 HydrophobicContact CE1-CG2 4Å; F243-V418 HydrophobicContact CE2-CG2 3.34Å; F243-V418 HydrophobicContact CZ-CG2 3.13Å
244	D	97.6	Very high	96.9	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.021	7%	0.07	C	C	.	.	H	α-helix	trans	-61.5	-47.1	172.4	-159.8	28.1	0	0	0	110.8	T192 N240 S241 G242 L246 C247 H248 H332 H359	T192-D244 WeakPolarHBondContact CA-OD2 3.49Å; N240-D244 PolarHBondContact O-N 2.77Å; N240-D244 VanDerWaalsContact O-N 3.15Å; S241-D244 VanDerWaalsContact O-CB 3.27Å; S241-D244 WeakPolarHBondContact O-CB 3.47Å; S241-D244 PolarHBondContact O-N 2.69Å; G242-D244 VanDerWaalsContact C-N 3.28Å; G242-D244 PolarHBondContact O-N 3Å; D244-L246 VanDerWaalsContact C-N 3.34Å; D244-L246 PolarHBondContact O-N 3.42Å; D244-C247 PolarHBondContact O-N 3.38Å; D244-H248 VanDerWaalsContact O-CB 3.29Å; D244-H248 WeakPolarHBondContact O-CB 3.22Å; D244-H248 PolarHBondContact O-N 3.27Å; D244-H248 PolarHBondContact O-ND1 3.18Å; D244-H248 IonicContact OD1-CE1 3.12Å; D244-H248 PolarHBondContact OD1-CE1 2.79Å; D244-H248 IonicContact OD1-ND1 3.33Å; D244-H248 IonicContact OD1-NE2 3.96Å; D244-H248 IonicContact OD2-CE1 3.47Å; D244-H248 PolarHBondContact OD2-CE1 3.21Å; D244-H248 VanDerWaalsContact OD2-CE1 3.26Å; D244-H248 IonicContact OD2-ND1 3.54Å; D244-H332 IonicContact OD1-CE1 2.75Å; D244-H332 IonicContact OD1-NE2 2.72Å; D244-H332 PolarHBondContact OD1-NE2 2.99Å; D244-H359 IonicContact OD1-CD2 3.33Å; D244-H359 IonicContact OD1-NE2 2.7Å
245	V	98.2	Very high	97.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-57.6	-45.3	173.9	-177.3	0	0	0	0	111.9	G191 S241 G242 A249 V292 A315 A319	G191-V245 WeakPolarHBondContact O-CG2 3.44Å; S241-V245 PolarHBondContact O-N 2.63Å; S241-V245 VanDerWaalsContact O-N 3.14Å; G242-V245 WeakPolarHBondContact O-CB 3.29Å; G242-V245 PolarHBondContact O-N 2.75Å; V245-A249 WeakPolarHBondContact O-CB 3.18Å; V245-A249 PolarHBondContact O-N 3.49Å; V245-V292 HydrophobicContact CB-CG2 4.25Å; V245-V292 HydrophobicContact CG1-CG2 3.69Å; V245-A315 HydrophobicContact CG1-CB 3.94Å; V245-A319 HydrophobicContact CG1-CB 3.86Å
246	L	98.4	Very high	97.2	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-59	-50.9	179	174.8	60.9	0	0	0	111	G242 F243 D244 A249 L250 L289 V292 L389 L409 F412	G242-L246 PolarHBondContact O-N 3.05Å; F243-L246 WeakPolarHBondContact O-CB 3.5Å; F243-L246 PolarHBondContact O-N 3.14Å; D244-L246 VanDerWaalsContact C-N 3.34Å; D244-L246 PolarHBondContact O-N 3.42Å; L246-A249 PolarHBondContact O-N 3.05Å; L246-L250 HydrophobicContact CD1-CD1 3.82Å; L246-L250 HydrophobicContact CD1-CG 4.17Å; L246-L250 HydrophobicContact CG-CD1 4.04Å; L246-L250 WeakPolarHBondContact O-CB 3.31Å; L246-L250 WeakPolarHBondContact O-CG 3.41Å; L246-L250 PolarHBondContact O-N 3Å; L246-L289 HydrophobicContact CD1-CD2 3.88Å; L246-V292 HydrophobicContact CB-CG1 4.23Å; L246-V292 HydrophobicContact CD1-CG1 4.06Å; L246-L389 HydrophobicContact CD1-CD1 4.04Å; L246-L389 HydrophobicContact CD1-CD2 3.85Å; L246-L409 HydrophobicContact CD1-CD2 4.47Å; L246-L409 HydrophobicContact CD2-CD2 3.92Å; L246-L409 HydrophobicContact CG-CD2 4.43Å; L246-F412 HydrophobicContact CD2-CD1 4.2Å; L246-F412 HydrophobicContact CD2-CE1 4.34Å
247	C	98.3	Very high	97.3	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-69.5	-40.1	-179.5	-72.7	0	0	0	0	112.2	F243 D244 A249 L250 E251 V363	F243-C247 WeakPolarHBondContact O-CB 3.44Å; F243-C247 PolarHBondContact O-N 2.89Å; D244-C247 PolarHBondContact O-N 3.38Å; C247-A249 VanDerWaalsContact C-N 3.3Å; C247-A249 PolarHBondContact O-N 2.89Å; C247-L250 PolarHBondContact O-N 3.04Å; C247-E251 VanDerWaalsContact O-CB 3.3Å; C247-E251 WeakPolarHBondContact O-CB 3.49Å; C247-E251 VanDerWaalsContact O-CG 3.28Å; C247-E251 WeakPolarHBondContact O-CG 3.14Å; C247-E251 PolarHBondContact O-N 2.85Å; C247-V363 HydrophobicContact CB-CG1 3.38Å
248	H	98.1	Very high	97.4	Very high	8 Å²	8	9 Å²	9	4%	0.037	5%	0.048	C	C	.	.	H	α-helix	trans	-51.7	-51.4	171.6	-78.4	138.2	0	0	0	111.1	D244 S252 A319 F323 H332	D244-H248 VanDerWaalsContact O-CB 3.29Å; D244-H248 WeakPolarHBondContact O-CB 3.22Å; D244-H248 PolarHBondContact O-N 3.27Å; D244-H248 PolarHBondContact O-ND1 3.18Å; D244-H248 IonicContact OD1-CE1 3.12Å; D244-H248 PolarHBondContact OD1-CE1 2.79Å; D244-H248 IonicContact OD1-ND1 3.33Å; D244-H248 IonicContact OD1-NE2 3.96Å; D244-H248 IonicContact OD2-CE1 3.47Å; D244-H248 PolarHBondContact OD2-CE1 3.21Å; D244-H248 VanDerWaalsContact OD2-CE1 3.26Å; D244-H248 IonicContact OD2-ND1 3.54Å; H248-S252 WeakPolarHBondContact O-CB 3.47Å; H248-S252 PolarHBondContact O-N 3.38Å; H248-S252 PolarHBondContact O-OG 3.3Å; H248-A319 HydrophobicContact CB-CB 4.03Å; H248-F323 HydrophobicContact CB-CB 4.33Å; H248-F323 HydrophobicContact CB-CD1 3.77Å; H248-F323 HydrophobicContact CB-CE1 4.37Å; H248-F323 HydrophobicContact CB-CG 4.2Å; H248-F323 AromaticContact CD2-CD1 3.42Å; H248-F323 VanDerWaalsContact CD2-CD1 3.42Å; H248-F323 WeakPolarHBondContact CD2-CD1 3.22Å; H248-F323 AromaticContact CD2-CD2 3.7Å; H248-F323 AromaticContact CD2-CE1 3.48Å; H248-F323 VanDerWaalsContact CD2-CE1 3.48Å; H248-F323 WeakPolarHBondContact CD2-CE1 3.37Å; H248-F323 AromaticContact CD2-CE2 3.72Å; H248-F323 AromaticContact CD2-CG 3.56Å; H248-F323 AromaticContact CD2-CZ 3.63Å; H248-F323 AromaticContact CE1-CE1 3.66Å; H248-F323 AromaticContact CE1-CZ 3.77Å; H248-F323 AromaticContact CG-CD1 3.52Å; H248-F323 AromaticContact CG-CE1 3.67Å; H248-F323 AromaticContact ND1-CE1 3.75Å; H248-F323 AromaticContact NE2-CD1 3.92Å; H248-F323 AromaticContact NE2-CE1 3.45Å; H248-F323 WeakPolarHBondContact NE2-CE1 3.25Å; H248-F323 AromaticContact NE2-CE2 3.57Å; H248-F323 AromaticContact NE2-CZ 3.26Å; H248-F323 VanDerWaalsContact NE2-CZ 3.26Å; H248-F323 WeakPolarHBondContact NE2-CZ 3.4Å; H248-H332 AromaticContact CD2-CE1 3.46Å; H248-H332 PolarHBondContact CD2-CE1 2.85Å; H248-H332 VanDerWaalsContact CD2-CE1 3.46Å; H248-H332 AromaticContact CD2-NE2 3.38Å; H248-H332 PolarHBondContact CD2-NE2 3.33Å; H248-H332 AromaticContact CE1-NE2 3.95Å; H248-H332 AromaticContact NE2-CE1 3.76Å; H248-H332 AromaticContact NE2-NE2 3.17Å; H248-H332 PolarHBondContact NE2-NE2 3.34Å; H248-H332 VanDerWaalsContact NE2-NE2 3.17Å
249	A	98.3	Very high	97.3	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-70.9	-38.3	-176.2	0	0	0	0	0	113.1	V245 L246 C247 S252 Y253 A288 L289	V245-A249 WeakPolarHBondContact O-CB 3.18Å; V245-A249 PolarHBondContact O-N 3.49Å; L246-A249 PolarHBondContact O-N 3.05Å; C247-A249 VanDerWaalsContact C-N 3.3Å; C247-A249 PolarHBondContact O-N 2.89Å; A249-S252 PolarHBondContact O-OG 3.27Å; A249-S252 VanDerWaalsContact O-OG 3.12Å; A249-Y253 WeakPolarHBondContact O-CB 3.38Å; A249-Y253 PolarHBondContact O-N 3.39Å; A249-A288 HydrophobicContact CB-CB 3.97Å; A249-L289 HydrophobicContact CB-CD2 3.77Å; A249-L289 HydrophobicContact CB-CG 3.81Å
250	L	98.5	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-67	-51.9	175.5	-72.5	172.4	0	0	0	111	L246 C247 S252 Y253 T254 L289 F371 A385 L389 L405 L409	L246-L250 HydrophobicContact CD1-CD1 3.82Å; L246-L250 HydrophobicContact CD1-CG 4.17Å; L246-L250 HydrophobicContact CG-CD1 4.04Å; L246-L250 WeakPolarHBondContact O-CB 3.31Å; L246-L250 WeakPolarHBondContact O-CG 3.41Å; L246-L250 PolarHBondContact O-N 3Å; C247-L250 PolarHBondContact O-N 3.04Å; L250-S252 PolarHBondContact O-N 3.39Å; L250-Y253 PolarHBondContact O-N 3.47Å; L250-Y253 VanDerWaalsContact O-N 3.16Å; L250-T254 PolarHBondContact O-N 3.39Å; L250-T254 PolarHBondContact O-OG1 3.49Å; L250-L289 HydrophobicContact CD2-CD1 4.03Å; L250-L289 HydrophobicContact CD2-CD2 3.73Å; L250-L289 HydrophobicContact CG-CD2 3.75Å; L250-F371 HydrophobicContact CB-CE1 3.85Å; L250-F371 HydrophobicContact CB-CE2 3.91Å; L250-F371 HydrophobicContact CB-CZ 3.28Å; L250-F371 HydrophobicContact CD1-CD2 4.31Å; L250-F371 HydrophobicContact CD1-CE2 3.64Å; L250-F371 HydrophobicContact CD1-CZ 3.95Å; L250-F371 HydrophobicContact CG-CE2 4.39Å; L250-F371 HydrophobicContact CG-CZ 4.2Å; L250-A385 HydrophobicContact CD2-CB 3.6Å; L250-L389 HydrophobicContact CD2-CD1 4.36Å; L250-L405 HydrophobicContact CD2-CD1 4.45Å; L250-L405 HydrophobicContact CD2-CD2 4.5Å; L250-L409 HydrophobicContact CD1-CD1 4.21Å; L250-L409 HydrophobicContact CD1-CD2 3.79Å
251	E	98.5	Very high	97	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-66.7	-37.7	-176.1	-65.3	-168.2	87.9	0	0	112.1	C247 Y253 T254 A255 V328 H329 L330 C331 H332 F371	C247-E251 VanDerWaalsContact O-CB 3.3Å; C247-E251 WeakPolarHBondContact O-CB 3.49Å; C247-E251 VanDerWaalsContact O-CG 3.28Å; C247-E251 WeakPolarHBondContact O-CG 3.14Å; C247-E251 PolarHBondContact O-N 2.85Å; E251-Y253 VanDerWaalsContact C-N 3.3Å; E251-Y253 PolarHBondContact O-N 2.85Å; E251-T254 PolarHBondContact O-N 3.32Å; E251-A255 WeakPolarHBondContact O-CA 2.9Å; E251-A255 VanDerWaalsContact O-CB 3.23Å; E251-A255 WeakPolarHBondContact O-CB 3.22Å; E251-A255 PolarHBondContact O-N 2.98Å; E251-V328 HydrophobicContact CB-CB 4.08Å; E251-V328 HydrophobicContact CB-CG1 4.15Å; E251-H329 VanDerWaalsContact CG-CE1 3.43Å; E251-H329 WeakPolarHBondContact CG-CE1 3.07Å; E251-H329 PolarHBondContact O-CD2 3.13Å; E251-H329 VanDerWaalsContact OE1-CA 3.26Å; E251-H329 WeakPolarHBondContact OE1-CA 3.36Å; E251-H329 IonicContact OE1-CE1 3.88Å; E251-H329 PolarHBondContact OE1-CE1 2.99Å; E251-H329 IonicContact OE1-CG 2.75Å; E251-H329 PolarHBondContact OE1-N 3.08Å; E251-H329 IonicContact OE1-ND1 2.63Å; E251-H329 PolarHBondContact OE1-ND1 3.34Å; E251-L330 PolarHBondContact OE1-N 2.93Å; E251-L330 VanDerWaalsContact OE1-N 3.17Å; E251-C331 VanDerWaalsContact CD-CB 3.47Å; E251-C331 HydrophobicContact CG-CB 4.38Å; E251-C331 PolarHBondContact OE1-N 3.36Å; E251-C331 VanDerWaalsContact OE2-CB 3.32Å; E251-C331 WeakPolarHBondContact OE2-CB 3.5Å; E251-H332 IonicContact OE2-CE1 3.19Å; E251-H332 IonicContact OE2-CG 2.79Å; E251-H332 PolarHBondContact OE2-N 3.22Å; E251-H332 IonicContact OE2-ND1 2.79Å; E251-H332 PolarHBondContact OE2-ND1 3.27Å; E251-F371 HydrophobicContact CG-CE1 4.36Å; E251-F371 HydrophobicContact CG-CZ 3.81Å
252	S	97.2	Very high	96.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.2	-37.8	174	62.5	0	0	0	0	112	H248 A249 L250 S277 S285 G327	H248-S252 WeakPolarHBondContact O-CB 3.47Å; H248-S252 PolarHBondContact O-N 3.38Å; H248-S252 PolarHBondContact O-OG 3.3Å; A249-S252 PolarHBondContact O-OG 3.27Å; A249-S252 VanDerWaalsContact O-OG 3.12Å; L250-S252 PolarHBondContact O-N 3.39Å; S252-S277 WeakPolarHBondContact O-CB 3.35Å; S252-S285 WeakPolarHBondContact OG-CB 3.5Å; S252-S285 PolarHBondContact OG-OG 3.31Å; S252-G327 VanDerWaalsContact CA-O 3.23Å; S252-G327 WeakPolarHBondContact CA-O 3.3Å; S252-G327 WeakPolarHBondContact CB-O 3.1Å
253	Y	98.3	Very high	96.1	Very high	12 Å²	12	24.4 Å²	24.4	5%	0.047	14%	0.141	C	C	.	.	H	α-helix	trans	-72.8	-34.7	178.4	-168.1	-125.6	0	0	0	112.2	A249 L250 E251 D282 R286 R381 E384	A249-Y253 WeakPolarHBondContact O-CB 3.38Å; A249-Y253 PolarHBondContact O-N 3.39Å; L250-Y253 PolarHBondContact O-N 3.47Å; L250-Y253 VanDerWaalsContact O-N 3.16Å; E251-Y253 VanDerWaalsContact C-N 3.3Å; E251-Y253 PolarHBondContact O-N 2.85Å; Y253-D282 HydrophobicContact CD2-CB 3.98Å; Y253-D282 WeakPolarHBondContact CD2-OD1 3.22Å; Y253-D282 HydrophobicContact CE2-CB 3.85Å; Y253-R286 HydrophobicContact CD2-CG 4.16Å; Y253-R286 HydrophobicContact CE1-CG 4.37Å; Y253-R286 HydrophobicContact CE2-CG 3.9Å; Y253-R381 HydrophobicContact CD1-CB 4.04Å; Y253-R381 HydrophobicContact CD1-CG 4.49Å; Y253-R381 HydrophobicContact CE1-CB 3.65Å; Y253-R381 HydrophobicContact CE1-CG 3.88Å; Y253-R381 WeakPolarHBondContact O-CD 3.21Å; Y253-R381 PolarHBondContact O-NH1 3.28Å; Y253-E384 VanDerWaalsContact OH-CD 3.32Å; Y253-E384 PolarHBondContact OH-OE2 2.89Å
254	T	97.9	Very high	95.6	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-98.6	0.6	-178.7	58.5	0	0	0	0	114.1	L250 E251 H329 F371 R381 P450	L250-T254 PolarHBondContact O-N 3.39Å; L250-T254 PolarHBondContact O-OG1 3.49Å; E251-T254 PolarHBondContact O-N 3.32Å; T254-H329 PolarHBondContact OG1-NE2 3.06Å; T254-F371 WeakPolarHBondContact OG1-CE1 3.27Å; T254-R381 HydrophobicContact CG2-CB 4.39Å; T254-P450 WeakPolarHBondContact O-CB 3.42Å; T254-P450 WeakPolarHBondContact O-CG 3.45Å
255	A	97.6	Very high	95.1	Very high	2 Å²	2	26.5 Å²	26.5	2%	0.017	16%	0.155	C	C	.	.	S	Bend	trans	-55.6	157.4	177.6	0	0	0	0	0	113.2	E251 S277	E251-A255 WeakPolarHBondContact O-CA 2.9Å; E251-A255 VanDerWaalsContact O-CB 3.23Å; E251-A255 WeakPolarHBondContact O-CB 3.22Å; E251-A255 PolarHBondContact O-N 2.98Å; A255-S277 WeakPolarHBondContact O-CB 3.27Å; A255-S277 PolarHBondContact O-OG 3Å
256	L	96.6	Very high	94.6	Very high	27 Å²	27	33.2 Å²	33.2	14%	0.141	20%	0.196	C	C	.	.			trans	-45.5	127.2	169.8	-176.5	71.6	0	0	0	109.5	Y258 Q260 R261 G276 S277 L448	L256-Y258 PolarHBondContact O-N 3.27Å; L256-Q260 HydrophobicContact CD1-CB 4Å; L256-Q260 HydrophobicContact CG-CB 4.21Å; L256-R261 HydrophobicContact CD2-CB 4.48Å; L256-G276 CarbonylContact O-C 3.54Å; L256-G276 WeakPolarHBondContact O-CA 3.42Å; L256-S277 PolarHBondContact O-N 3.43Å; L256-L448 WeakPolarHBondContact CB-O 3.36Å; L256-L448 PolarHBondContact N-O 3.02Å
257	P	96.6	Very high	93.9	Very high	43 Å²	43	37 Å²	37	28%	0.279	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-57.2	139.7	178.8	-27	35.7	0	0	0	111.9	S259 Q260 R261 S277	P257-S259 PolarHBondContact O-N 2.83Å; P257-Q260 HydrophobicContact CB-CG 4.3Å; P257-Q260 PolarHBondContact O-N 3.43Å; P257-R261 PolarHBondContact O-N 2.89Å; P257-S277 WeakPolarHBondContact CA-OG 3.38Å
258	Y	94.8	Very high	93.2	Very high	58 Å²	58	41.1 Å²	41.1	23%	0.227	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-53.8	-34.7	-176.9	77.3	-87.4	0	0	0	113.3	D42 F45 L256 Q260 R261 Q275 S277 N278	D42-Y258 VanDerWaalsContact CB-O 3.29Å; D42-Y258 WeakPolarHBondContact CB-O 3.45Å; F45-Y258 HydrophobicContact CB-CD2 4.09Å; F45-Y258 HydrophobicContact CB-CG 4.16Å; F45-Y258 AromaticContact CD1-CD1 3.84Å; F45-Y258 HydrophobicContact CD1-CD1 3.84Å; F45-Y258 AromaticContact CD1-CD2 3.77Å; F45-Y258 HydrophobicContact CD1-CD2 3.77Å; F45-Y258 AromaticContact CD1-CE1 3.82Å; F45-Y258 HydrophobicContact CD1-CE1 3.82Å; F45-Y258 AromaticContact CD1-CE2 3.77Å; F45-Y258 HydrophobicContact CD1-CE2 3.77Å; F45-Y258 AromaticContact CD1-CG 3.81Å; F45-Y258 HydrophobicContact CD1-CG 3.81Å; F45-Y258 AromaticContact CD1-CZ 3.79Å; F45-Y258 HydrophobicContact CE1-CD1 4.34Å; F45-Y258 HydrophobicContact CE1-CE1 4.01Å; F45-Y258 HydrophobicContact CE1-CE2 4.49Å; F45-Y258 HydrophobicContact CG-CD2 4.41Å; F45-Y258 HydrophobicContact CG-CG 4.34Å; L256-Y258 PolarHBondContact O-N 3.27Å; Y258-Q260 PolarHBondContact O-N 2.93Å; Y258-R261 WeakPolarHBondContact O-CB 3.37Å; Y258-R261 PolarHBondContact O-N 3.47Å; Y258-Q275 WeakPolarHBondContact CA-O 3.34Å; Y258-Q275 WeakPolarHBondContact CB-O 3.44Å; Y258-S277 WeakPolarHBondContact CD1-O 3.48Å; Y258-S277 PolarHBondContact N-O 3.49Å; Y258-N278 HydrophobicContact CD1-CB 3.87Å; Y258-N278 HydrophobicContact CG-CB 4.42Å
259	S	94.3	Very high	92.3	Very high	53 Å²	53	47.1 Å²	47.1	37%	0.371	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-71.2	-12.9	179.9	55.8	0	0	0	0	114.6	T41 D42 P257	T41-S259 VanDerWaalsContact CB-O 3.24Å; T41-S259 WeakPolarHBondContact CB-O 3.3Å; T41-S259 PolarHBondContact OG1-O 3.25Å; D42-S259 CarbonylContact O-C 3.57Å; D42-S259 WeakPolarHBondContact O-CA 3.4Å; P257-S259 PolarHBondContact O-N 2.83Å
260	Q	93.6	Very high	91.5	Very high	107 Å²	107	51.7 Å²	51.7	50%	0.5	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-103.8	-9	177.9	-61.5	-177.1	16.4	0	0	112.4	L256 P257 Y258 A262	L256-Q260 HydrophobicContact CD1-CB 4Å; L256-Q260 HydrophobicContact CG-CB 4.21Å; P257-Q260 HydrophobicContact CB-CG 4.3Å; P257-Q260 PolarHBondContact O-N 3.43Å; Y258-Q260 PolarHBondContact O-N 2.93Å; Q260-A262 PolarHBondContact O-N 3.14Å
261	R	92.9	Very high	91	Very high	30 Å²	30	52.8 Å²	52.8	11%	0.113	30%	0.303	C	S	.	.			trans	-65.2	133.1	177.7	-167.7	-173.1	75.9	86.4	0.9	110.5	T41 D42 L256 P257 Y258	T41-R261 CarbonylContact C-O 3.59Å; T41-R261 WeakPolarHBondContact CA-O 3.3Å; T41-R261 WeakPolarHBondContact CB-O 3.48Å; D42-R261 PolarHBondContact N-O 3.3Å; D42-R261 IonicContact OD2-CZ 3.47Å; D42-R261 IonicContact OD2-NE 3.39Å; D42-R261 PolarHBondContact OD2-NE 3.26Å; D42-R261 IonicContact OD2-NH2 2.74Å; D42-R261 PolarHBondContact OD2-NH2 3.17Å; L256-R261 HydrophobicContact CD2-CB 4.48Å; P257-R261 PolarHBondContact O-N 2.89Å; Y258-R261 WeakPolarHBondContact O-CB 3.37Å; Y258-R261 PolarHBondContact O-N 3.47Å
262	A	87.8	Confident	90.3	Very high	64 Å²	64	55 Å²	55	53%	0.529	32%	0.318	S	S	.	.	S	Bend	trans	-129.3	153.2	175.5	0	0	0	0	0	111.2	K40 T41 Q260	K40-A262 WeakPolarHBondContact O-CB 3.17Å; T41-A262 HydrophobicContact CG2-CB 4.29Å; Q260-A262 PolarHBondContact O-N 3.14Å
263	P	87.7	Confident	89.7	Confident	103 Å²	103	55.8 Å²	55.8	67%	0.669	32%	0.324	S	S	*	.	S	Bend	cis	-75.8	155	-8	31.8	-34.7	0	0	0	112.6	K40	K40-P263 WeakPolarHBondContact O-CA 3.37Å
264	C	87.3	Confident	89.4	Confident	25 Å²	25	56.1 Å²	56.1	17%	0.169	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-59.9	130.1	165.8	-175.5	0	0	0	0	109.3	R39 K40 T266	R39-C264 VanDerWaalsContact O-CB 3.23Å; R39-C264 WeakPolarHBondContact O-CB 3.34Å; K40-C264 PolarHBondContact O-N 3.17Å; C264-T266 PolarHBondContact O-N 2.89Å
265	P	86.5	Confident	89.1	Confident	24 Å²	24	56.1 Å²	56.1	16%	0.156	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-65.7	135.6	178.6	27.4	-32.1	0	0	0	109.7	N267 N270 R271	P265-N267 VanDerWaalsContact C-N 3.25Å; P265-N267 PolarHBondContact O-N 2.91Å; P265-N270 HydrophobicContact CB-CB 4.32Å; P265-R271 HydrophobicContact CG-CB 4.22Å
266	T	87.3	Confident	89	Confident	141 Å²	141	56 Å²	56	87%	0.865	32%	0.324	S	S	*	.	S	Bend	trans	-71.8	-21.5	179.1	51.9	0	0	0	0	113	C264	C264-T266 PolarHBondContact O-N 2.89Å
267	N	85.1	Confident	89	Confident	78 Å²	78	55 Å²	55	42%	0.417	32%	0.319	S	S	.	.	S	Bend	trans	-136.4	135.5	175.5	-175.2	-40.3	0	0	0	108.4	P265 I269 N270	P265-N267 VanDerWaalsContact C-N 3.25Å; P265-N267 PolarHBondContact O-N 2.91Å; N267-I269 HydrophobicContact CB-CG2 4.19Å; N267-I269 PolarHBondContact O-N 3.41Å; N267-I269 VanDerWaalsContact O-N 3.09Å; N267-I269 VanDerWaalsContact OD1-CG2 3.3Å; N267-I269 WeakPolarHBondContact OD1-CG2 3.34Å; N267-I269 PolarHBondContact OD1-N 3.34Å; N267-N270 WeakPolarHBondContact O-CB 3.25Å; N267-N270 PolarHBondContact O-N 2.93Å
268	P	82.9	Confident	88.9	Confident	87 Å²	87	53 Å²	53	57%	0.565	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-49	-33.2	175.4	-30	36	0	0	0	114.8	N270 R271	P268-N270 PolarHBondContact O-N 3.48Å; P268-R271 WeakPolarHBondContact O-CB 3.4Å; P268-R271 PolarHBondContact O-N 3.22Å; P268-R271 VanDerWaalsContact O-N 3.13Å
269	I	79.3	Confident	89	Confident	135 Å²	135	53.9 Å²	53.9	69%	0.692	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-65.1	-24.5	177.8	-157.2	170.7	0	0	0	113.4	N267 R271	N267-I269 HydrophobicContact CB-CG2 4.19Å; N267-I269 PolarHBondContact O-N 3.41Å; N267-I269 VanDerWaalsContact O-N 3.09Å; N267-I269 VanDerWaalsContact OD1-CG2 3.3Å; N267-I269 WeakPolarHBondContact OD1-CG2 3.34Å; N267-I269 PolarHBondContact OD1-N 3.34Å; I269-R271 VanDerWaalsContact C-N 3.26Å; I269-R271 PolarHBondContact O-N 2.81Å
270	N	81.7	Confident	89	Confident	96 Å²	96	55 Å²	55	51%	0.513	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-87	3.1	179.5	-62.7	-25.3	0	0	0	112.4	P265 N267 P268	P265-N270 HydrophobicContact CB-CB 4.32Å; N267-N270 WeakPolarHBondContact O-CB 3.25Å; N267-N270 PolarHBondContact O-N 2.93Å; P268-N270 PolarHBondContact O-N 3.48Å
271	R	86.5	Confident	89.1	Confident	22 Å²	22	49.9 Å²	49.9	8%	0.083	30%	0.296	C	S	.	.			trans	-66.3	124.2	175.6	-176.8	172.2	-72.5	-66.3	-2.6	108.9	D42 A44 P265 P268 I269 Q275	D42-R271 IonicContact OD1-CZ 3.35Å; D42-R271 IonicContact OD1-NH1 3.58Å; D42-R271 PolarHBondContact OD1-NH1 3.04Å; D42-R271 IonicContact OD1-NH2 2.79Å; D42-R271 PolarHBondContact OD1-NH2 3.16Å; D42-R271 IonicContact OD2-CZ 3.62Å; D42-R271 IonicContact OD2-NH1 3.66Å; D42-R271 PolarHBondContact OD2-NH1 3.17Å; D42-R271 IonicContact OD2-NH2 3.79Å; A44-R271 PolarHBondContact O-NH1 3.38Å; P265-R271 HydrophobicContact CG-CB 4.22Å; P268-R271 WeakPolarHBondContact O-CB 3.4Å; P268-R271 PolarHBondContact O-N 3.22Å; P268-R271 VanDerWaalsContact O-N 3.13Å; I269-R271 VanDerWaalsContact C-N 3.26Å; I269-R271 PolarHBondContact O-N 2.81Å; R271-Q275 HydrophobicContact CG-CG 4.24Å
272	P	85.3	Confident	89.3	Confident	48 Å²	48	49 Å²	49	31%	0.312	29%	0.294	S	S	.	.			trans	-66.9	163.3	-178.5	28.6	-35.2	0	0	0	111.4	R216 Y274 Q275	R216-P272 PolarHBondContact NH2-O 3.31Å; P272-Y274 VanDerWaalsContact C-N 3.34Å; P272-Y274 VanDerWaalsContact CG-O 3.28Å; P272-Y274 WeakPolarHBondContact CG-O 3.35Å; P272-Q275 VanDerWaalsContact O-CG 3.23Å; P272-Q275 WeakPolarHBondContact O-CG 3.44Å
273	A	84.8	Confident	89.8	Confident	16 Å²	16	49.8 Å²	49.8	13%	0.132	29%	0.292	C	S	.	.	S	Bend	trans	-59.7	-46.8	172.3	0	0	0	0	0	111.2	Q275 N325	A273-Q275 PolarHBondContact O-NE2 3.46Å; A273-N325 WeakPolarHBondContact O-CA 3.25Å; A273-N325 VanDerWaalsContact O-O 3.13Å
274	Y	91.1	Very high	90.2	Very high	19 Å²	19	48.6 Å²	48.6	8%	0.075	27%	0.274	C	S	.	.			trans	-92.8	122.7	178.4	-62.6	-7.9	0	0	0	111.4	V199 P272 F323 G327 V328 R444 V445 L448	V199-Y274 HydrophobicContact CG2-CE1 4.15Å; P272-Y274 VanDerWaalsContact C-N 3.34Å; P272-Y274 VanDerWaalsContact CG-O 3.28Å; P272-Y274 WeakPolarHBondContact CG-O 3.35Å; Y274-F323 WeakPolarHBondContact CD1-O 3.21Å; Y274-F323 HydrophobicContact CE1-CD2 4.27Å; Y274-F323 HydrophobicContact CE1-CE2 4.5Å; Y274-F323 WeakPolarHBondContact CE1-O 3.42Å; Y274-F323 WeakPolarHBondContact OH-CE2 3.13Å; Y274-G327 VanDerWaalsContact CD2-CA 3.44Å; Y274-V328 HydrophobicContact CE2-CG2 4.27Å; Y274-R444 PolarHBondContact OH-NH1 3.3Å; Y274-V445 HydrophobicContact CE2-CG1 4.26Å; Y274-L448 HydrophobicContact CD2-CD1 3.86Å; Y274-L448 HydrophobicContact CG-CD1 4.17Å
275	Q	92.3	Very high	90.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.266	C	S	.	.			trans	-123.5	2.8	-165.1	-65.1	168.5	82.2	0	0	113.5	F45 E46 Y258 R271 P272 A273 N325 A326	F45-Q275 HydrophobicContact CB-CB 4.4Å; E46-Q275 PolarHBondContact O-NE2 3.01Å; Y258-Q275 WeakPolarHBondContact CA-O 3.34Å; Y258-Q275 WeakPolarHBondContact CB-O 3.44Å; R271-Q275 HydrophobicContact CG-CG 4.24Å; P272-Q275 VanDerWaalsContact O-CG 3.23Å; P272-Q275 WeakPolarHBondContact O-CG 3.44Å; A273-Q275 PolarHBondContact O-NE2 3.46Å; Q275-N325 WeakPolarHBondContact CB-O 3.39Å; Q275-N325 PolarHBondContact N-O 2.88Å; Q275-A326 PolarHBondContact N-O 2.85Å
276	G	94.6	Very high	91.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.275	C	S	.	.			trans	88.6	168.5	-171.6	0	0	0	0	0	112.7	L256 N278 A326	L256-G276 CarbonylContact O-C 3.54Å; L256-G276 WeakPolarHBondContact O-CA 3.42Å; G276-N278 PolarHBondContact O-N 3.19Å; G276-N278 PolarHBondContact O-ND2 3.26Å; G276-A326 CarbonylContact C-O 3.43Å; G276-A326 VanDerWaalsContact CA-O 3.27Å; G276-A326 WeakPolarHBondContact CA-O 3.43Å; G276-A326 PolarHBondContact N-O 3.27Å; G276-A326 VanDerWaalsContact O-CA 3.25Å; G276-A326 WeakPolarHBondContact O-CA 3.32Å; G276-A326 WeakPolarHBondContact O-CB 3.28Å
277	S	96.6	Very high	91.7	Very high	5 Å²	5	48.1 Å²	48.1	4%	0.035	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-58.2	138.7	179.8	59.8	0	0	0	0	110.5	S252 A255 L256 P257 Y258	S252-S277 WeakPolarHBondContact O-CB 3.35Å; A255-S277 WeakPolarHBondContact O-CB 3.27Å; A255-S277 PolarHBondContact O-OG 3Å; L256-S277 PolarHBondContact O-N 3.43Å; P257-S277 WeakPolarHBondContact CA-OG 3.38Å; Y258-S277 WeakPolarHBondContact CD1-O 3.48Å; Y258-S277 PolarHBondContact N-O 3.49Å
278	N	95.7	Very high	92.4	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.233	C	C	.	.			trans	-152.7	151	-174.8	62.7	83.4	0	0	0	111	F45 Y258 G276 I280 S281 D282	F45-N278 HydrophobicContact CD1-CB 3.89Å; F45-N278 HydrophobicContact CD2-CB 3.87Å; F45-N278 HydrophobicContact CE1-CB 3.96Å; F45-N278 HydrophobicContact CE2-CB 3.92Å; F45-N278 WeakPolarHBondContact CE2-OD1 3.14Å; F45-N278 HydrophobicContact CG-CB 3.86Å; F45-N278 HydrophobicContact CZ-CB 3.98Å; Y258-N278 HydrophobicContact CD1-CB 3.87Å; Y258-N278 HydrophobicContact CG-CB 4.42Å; G276-N278 PolarHBondContact O-N 3.19Å; G276-N278 PolarHBondContact O-ND2 3.26Å; N278-I280 PolarHBondContact O-N 3.42Å; N278-I280 PolarHBondContact OD1-N 2.66Å; N278-S281 WeakPolarHBondContact ND2-CB 3.33Å; N278-S281 PolarHBondContact ND2-OG 3.05Å; N278-S281 PolarHBondContact O-N 2.84Å; N278-S281 VanDerWaalsContact O-N 3.07Å; N278-S281 VanDerWaalsContact OD1-CB 3.31Å; N278-S281 WeakPolarHBondContact OD1-CB 3.28Å; N278-S281 PolarHBondContact OD1-N 2.79Å; N278-S281 PolarHBondContact OD1-OG 3.43Å; N278-D282 PolarHBondContact O-N 3.18Å
279	P	95.6	Very high	93.1	Very high	78 Å²	78	40.2 Å²	40.2	51%	0.506	21%	0.207	S	C	.	.	H	α-helix	trans	-58.3	-29.9	-171.2	-27.1	35.2	0	0	0	115
280	I	95.4	Very high	94	Very high	76 Å²	76	36.4 Å²	36.4	39%	0.39	19%	0.192	S	C	.	.	H	α-helix	trans	-76	-43.9	179.3	-55.2	-178.8	0	0	0	110.5	F45 M47 N278 D282 V283 W284	F45-I280 HydrophobicContact CE2-CB 4.13Å; F45-I280 HydrophobicContact CE2-CD1 3.68Å; F45-I280 HydrophobicContact CE2-CG1 3.83Å; F45-I280 HydrophobicContact CZ-CB 4.49Å; F45-I280 HydrophobicContact CZ-CD1 3.92Å; F45-I280 HydrophobicContact CZ-CG1 3.85Å; M47-I280 HydrophobicContact CE-CG2 4.39Å; M47-I280 HydrophobicContact SD-CB 4.29Å; M47-I280 HydrophobicContact SD-CG2 3.27Å; M47-I280 WeakPolarHBondContact SD-CG2 3.3Å; N278-I280 PolarHBondContact O-N 3.42Å; N278-I280 PolarHBondContact OD1-N 2.66Å; I280-D282 VanDerWaalsContact C-N 3.29Å; I280-D282 PolarHBondContact O-N 3.23Å; I280-V283 PolarHBondContact O-N 3.26Å; I280-W284 VanDerWaalsContact O-CD1 3.22Å
281	S	95.7	Very high	94.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.9	-30.8	177.1	-56.1	0	0	0	0	112	N278 V283 W284 S285 G322	N278-S281 WeakPolarHBondContact ND2-CB 3.33Å; N278-S281 PolarHBondContact ND2-OG 3.05Å; N278-S281 PolarHBondContact O-N 2.84Å; N278-S281 VanDerWaalsContact O-N 3.07Å; N278-S281 VanDerWaalsContact OD1-CB 3.31Å; N278-S281 WeakPolarHBondContact OD1-CB 3.28Å; N278-S281 PolarHBondContact OD1-N 2.79Å; N278-S281 PolarHBondContact OD1-OG 3.43Å; S281-V283 VanDerWaalsContact C-N 3.27Å; S281-V283 PolarHBondContact O-N 3.31Å; S281-W284 PolarHBondContact O-N 2.95Å; S281-S285 WeakPolarHBondContact O-CB 3.41Å; S281-S285 PolarHBondContact O-N 2.84Å; S281-S285 PolarHBondContact O-OG 3.16Å; S281-G322 WeakPolarHBondContact CB-O 3.49Å; S281-G322 PolarHBondContact OG-O 2.95Å
282	D	97	Very high	95.4	Very high	11 Å²	11	31.4 Å²	31.4	6%	0.059	17%	0.167	C	C	.	.	H	α-helix	trans	-63.2	-30.3	177.6	-68.6	-16.7	0	0	0	112.6	Y253 N278 I280 R286 R381	Y253-D282 HydrophobicContact CD2-CB 3.98Å; Y253-D282 WeakPolarHBondContact CD2-OD1 3.22Å; Y253-D282 HydrophobicContact CE2-CB 3.85Å; N278-D282 PolarHBondContact O-N 3.18Å; I280-D282 VanDerWaalsContact C-N 3.29Å; I280-D282 PolarHBondContact O-N 3.23Å; D282-R286 WeakPolarHBondContact O-CB 3.26Å; D282-R286 VanDerWaalsContact O-CG 3.3Å; D282-R286 WeakPolarHBondContact O-CG 3.45Å; D282-R286 PolarHBondContact O-N 3.12Å; D282-R286 VanDerWaalsContact O-N 3.1Å; D282-R286 PolarHBondContact O-NE 2.9Å; D282-R286 VanDerWaalsContact O-NE 3.17Å; D282-R381 VanDerWaalsContact CG-NH1 3.32Å; D282-R381 IonicContact OD1-CZ 3.81Å; D282-R381 IonicContact OD1-NH1 3.48Å; D282-R381 PolarHBondContact OD1-NH1 2.9Å; D282-R381 IonicContact OD1-NH2 3.99Å; D282-R381 IonicContact OD2-CZ 2.63Å; D282-R381 IonicContact OD2-NH1 3.1Å; D282-R381 PolarHBondContact OD2-NH1 3.23Å; D282-R381 VanDerWaalsContact OD2-NH1 3.12Å; D282-R381 IonicContact OD2-NH2 3.95Å; D282-R381 PolarHBondContact OD2-NH2 3.35Å
283	V	97.1	Very high	96	Very high	80 Å²	80	31 Å²	31	49%	0.485	17%	0.165	S	C	.	.	H	α-helix	trans	-62.6	-50.6	174.3	174.2	0	0	0	0	110.1	I280 S281 H287	I280-V283 PolarHBondContact O-N 3.26Å; S281-V283 VanDerWaalsContact C-N 3.27Å; S281-V283 PolarHBondContact O-N 3.31Å; V283-H287 WeakPolarHBondContact O-CB 3.42Å; V283-H287 PolarHBondContact O-N 3.25Å; V283-H287 VanDerWaalsContact O-N 3.1Å
284	W	96.6	Very high	96.6	Very high	78 Å²	78	36.4 Å²	36.4	30%	0.295	19%	0.186	S	C	.	.	H	α-helix	trans	-68.8	-39.4	-178.4	-58.2	109.8	0	0	0	112.3	I280 S281 H287 A288 F318 I321	I280-W284 VanDerWaalsContact O-CD1 3.22Å; S281-W284 PolarHBondContact O-N 2.95Å; W284-H287 PolarHBondContact O-N 3.31Å; W284-A288 WeakPolarHBondContact O-CB 3.24Å; W284-A288 PolarHBondContact O-N 3.38Å; W284-F318 WeakPolarHBondContact CB-O 3.29Å; W284-F318 HydrophobicContact CE3-CB 4.23Å; W284-F318 AromaticContact CE3-CD1 3.55Å; W284-F318 HydrophobicContact CE3-CD1 3.55Å; W284-F318 HydrophobicContact CE3-CE1 4.26Å; W284-F318 HydrophobicContact CE3-CG 4.16Å; W284-F318 AromaticContact CZ3-CD1 3.55Å; W284-F318 HydrophobicContact CZ3-CD1 3.55Å; W284-F318 AromaticContact CZ3-CE1 3.8Å; W284-F318 HydrophobicContact CZ3-CE1 3.8Å; W284-I321 HydrophobicContact CD2-CB 4.5Å; W284-I321 HydrophobicContact CD2-CG2 4.04Å; W284-I321 HydrophobicContact CG-CB 4.34Å; W284-I321 HydrophobicContact CG-CG2 3.9Å
285	S	97.3	Very high	97	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-49.9	179.6	-51.3	0	0	0	0	111.1	S252 S281 H287 A288 L289	S252-S285 WeakPolarHBondContact OG-CB 3.5Å; S252-S285 PolarHBondContact OG-OG 3.31Å; S281-S285 WeakPolarHBondContact O-CB 3.41Å; S281-S285 PolarHBondContact O-N 2.84Å; S281-S285 PolarHBondContact O-OG 3.16Å; S285-H287 VanDerWaalsContact C-N 3.34Å; S285-H287 PolarHBondContact O-N 2.97Å; S285-A288 PolarHBondContact O-N 3.48Å; S285-L289 WeakPolarHBondContact O-CG 3.49Å; S285-L289 PolarHBondContact O-N 2.84Å
286	R	98.1	Very high	97.2	Very high	92 Å²	92	36.7 Å²	36.7	35%	0.347	19%	0.187	S	C	.	.	H	α-helix	trans	-64.7	-37.8	177.8	-69.4	-178	-63.8	165.2	1.5	112.8	Y253 D282 L289 S290 E384 I388	Y253-R286 HydrophobicContact CD2-CG 4.16Å; Y253-R286 HydrophobicContact CE1-CG 4.37Å; Y253-R286 HydrophobicContact CE2-CG 3.9Å; D282-R286 WeakPolarHBondContact O-CB 3.26Å; D282-R286 VanDerWaalsContact O-CG 3.3Å; D282-R286 WeakPolarHBondContact O-CG 3.45Å; D282-R286 PolarHBondContact O-N 3.12Å; D282-R286 VanDerWaalsContact O-N 3.1Å; D282-R286 PolarHBondContact O-NE 2.9Å; D282-R286 VanDerWaalsContact O-NE 3.17Å; R286-L289 PolarHBondContact O-N 3.3Å; R286-S290 PolarHBondContact O-N 2.9Å; R286-S290 PolarHBondContact O-OG 3.4Å; R286-E384 WeakPolarHBondContact CD-OE1 3.31Å; R286-E384 IonicContact NH1-OE1 2.65Å; R286-E384 PolarHBondContact NH1-OE1 3.39Å; R286-I388 HydrophobicContact CB-CD1 4.26Å; R286-I388 HydrophobicContact CG-CD1 4.24Å
287	H	98.2	Very high	97.3	Very high	88 Å²	88	39.5 Å²	39.5	41%	0.407	20%	0.199	S	C	.	.	H	α-helix	trans	-65.5	-44.8	175.7	-169.6	56.3	0	0	0	111.4	V283 W284 S285 L289 S290 V291 F318	V283-H287 WeakPolarHBondContact O-CB 3.42Å; V283-H287 PolarHBondContact O-N 3.25Å; V283-H287 VanDerWaalsContact O-N 3.1Å; W284-H287 PolarHBondContact O-N 3.31Å; S285-H287 VanDerWaalsContact C-N 3.34Å; S285-H287 PolarHBondContact O-N 2.97Å; H287-L289 VanDerWaalsContact C-N 3.34Å; H287-L289 PolarHBondContact O-N 2.64Å; H287-S290 WeakPolarHBondContact O-CB 3.48Å; H287-S290 PolarHBondContact O-N 2.87Å; H287-S290 VanDerWaalsContact O-N 3.14Å; H287-V291 WeakPolarHBondContact O-CG2 3.21Å; H287-V291 PolarHBondContact O-N 3.32Å; H287-F318 AromaticContact CD2-CD2 3.4Å; H287-F318 WeakPolarHBondContact CD2-CD2 3.46Å; H287-F318 AromaticContact CD2-CE2 3.37Å; H287-F318 WeakPolarHBondContact CD2-CE2 3.33Å; H287-F318 AromaticContact CD2-CZ 3.99Å; H287-F318 AromaticContact NE2-CD2 3.95Å; H287-F318 AromaticContact NE2-CE2 3.45Å; H287-F318 WeakPolarHBondContact NE2-CE2 3.41Å
288	A	98.3	Very high	97.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.9	-44.6	174.4	0	0	0	0	0	111.8	A249 W284 S285 S290 V291 V292 F318 A319	A249-A288 HydrophobicContact CB-CB 3.97Å; W284-A288 WeakPolarHBondContact O-CB 3.24Å; W284-A288 PolarHBondContact O-N 3.38Å; S285-A288 PolarHBondContact O-N 3.48Å; A288-S290 VanDerWaalsContact C-N 3.31Å; A288-S290 PolarHBondContact O-N 2.86Å; A288-V291 PolarHBondContact O-N 3.02Å; A288-V292 WeakPolarHBondContact O-CB 3.45Å; A288-V292 VanDerWaalsContact O-CG2 3.3Å; A288-V292 WeakPolarHBondContact O-CG2 3.25Å; A288-V292 PolarHBondContact O-N 2.55Å; A288-F318 HydrophobicContact CB-CB 4.18Å; A288-A319 HydrophobicContact CB-CB 4.15Å
289	L	98.4	Very high	97.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.7	-41.8	174.9	-68.8	173.2	0	0	0	112.5	L246 A249 L250 S285 R286 H287 V291 V292 S293 A385 I388	L246-L289 HydrophobicContact CD1-CD2 3.88Å; A249-L289 HydrophobicContact CB-CD2 3.77Å; A249-L289 HydrophobicContact CB-CG 3.81Å; L250-L289 HydrophobicContact CD2-CD1 4.03Å; L250-L289 HydrophobicContact CD2-CD2 3.73Å; L250-L289 HydrophobicContact CG-CD2 3.75Å; S285-L289 WeakPolarHBondContact O-CG 3.49Å; S285-L289 PolarHBondContact O-N 2.84Å; R286-L289 PolarHBondContact O-N 3.3Å; H287-L289 VanDerWaalsContact C-N 3.34Å; H287-L289 PolarHBondContact O-N 2.64Å; L289-V291 VanDerWaalsContact C-N 3.34Å; L289-V291 PolarHBondContact O-N 2.93Å; L289-V292 PolarHBondContact O-N 3.1Å; L289-S293 VanDerWaalsContact O-CB 3.3Å; L289-S293 WeakPolarHBondContact O-CB 3.3Å; L289-S293 PolarHBondContact O-N 3.13Å; L289-A385 HydrophobicContact CD1-CB 4.25Å; L289-I388 HydrophobicContact CB-CG2 3.61Å; L289-I388 HydrophobicContact CD1-CD1 4.49Å
290	S	98.5	Very high	97.5	Very high	54 Å²	54	40.2 Å²	40.2	38%	0.378	19%	0.193	S	C	.	.	H	α-helix	trans	-64.3	-40.7	178.4	-57.1	0	0	0	0	111.6	R286 H287 A288 K294	R286-S290 PolarHBondContact O-N 2.9Å; R286-S290 PolarHBondContact O-OG 3.4Å; H287-S290 WeakPolarHBondContact O-CB 3.48Å; H287-S290 PolarHBondContact O-N 2.87Å; H287-S290 VanDerWaalsContact O-N 3.14Å; A288-S290 VanDerWaalsContact C-N 3.31Å; A288-S290 PolarHBondContact O-N 2.86Å; S290-K294 WeakPolarHBondContact O-CB 3.43Å; S290-K294 PolarHBondContact O-N 2.83Å
291	V	98.4	Very high	97.5	Very high	14 Å²	14	44.4 Å²	44.4	9%	0.085	20%	0.204	C	C	.	.	H	α-helix	trans	-68.3	-44.3	176.6	179.9	0	0	0	0	110.8	H287 A288 L289 S293 K294 Y295 S311 A315	H287-V291 WeakPolarHBondContact O-CG2 3.21Å; H287-V291 PolarHBondContact O-N 3.32Å; A288-V291 PolarHBondContact O-N 3.02Å; L289-V291 VanDerWaalsContact C-N 3.34Å; L289-V291 PolarHBondContact O-N 2.93Å; V291-S293 PolarHBondContact O-N 2.92Å; V291-K294 PolarHBondContact O-N 3.4Å; V291-Y295 HydrophobicContact CG1-CD2 3.83Å; V291-Y295 WeakPolarHBondContact O-CB 3.31Å; V291-Y295 WeakPolarHBondContact O-CD2 3.46Å; V291-Y295 PolarHBondContact O-N 3.34Å; V291-S311 WeakPolarHBondContact CG1-O 3.39Å; V291-A315 HydrophobicContact CB-CB 4.03Å; V291-A315 HydrophobicContact CG1-CB 3.69Å
292	V	98.3	Very high	97.5	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.1	-51.2	175.5	166.3	0	0	0	0	110.8	V245 L246 A288 L289 K294 Y295 M296 M312 F412	V245-V292 HydrophobicContact CB-CG2 4.25Å; V245-V292 HydrophobicContact CG1-CG2 3.69Å; L246-V292 HydrophobicContact CB-CG1 4.23Å; L246-V292 HydrophobicContact CD1-CG1 4.06Å; A288-V292 WeakPolarHBondContact O-CB 3.45Å; A288-V292 VanDerWaalsContact O-CG2 3.3Å; A288-V292 WeakPolarHBondContact O-CG2 3.25Å; A288-V292 PolarHBondContact O-N 2.55Å; L289-V292 PolarHBondContact O-N 3.1Å; V292-K294 VanDerWaalsContact C-N 3.27Å; V292-K294 PolarHBondContact O-N 3.17Å; V292-Y295 PolarHBondContact O-N 2.97Å; V292-M296 HydrophobicContact CG1-CB 4.12Å; V292-M296 HydrophobicContact CG1-SD 3.78Å; V292-M296 WeakPolarHBondContact O-CB 3.35Å; V292-M296 PolarHBondContact O-N 3.25Å; V292-M312 HydrophobicContact CG2-CE 4.12Å; V292-M312 HydrophobicContact CG2-SD 4.34Å; V292-F412 HydrophobicContact CG1-CE1 4.49Å; V292-F412 HydrophobicContact CG1-CZ 4.01Å
293	S	97.9	Very high	97.3	Very high	39 Å²	39	49.7 Å²	49.7	27%	0.273	24%	0.236	S	C	.	.	H	α-helix	trans	-53.5	-44.9	178.5	-176.3	0	0	0	0	111.9	L289 V291 I388	L289-S293 VanDerWaalsContact O-CB 3.3Å; L289-S293 WeakPolarHBondContact O-CB 3.3Å; L289-S293 PolarHBondContact O-N 3.13Å; V291-S293 PolarHBondContact O-N 2.92Å; S293-I388 WeakPolarHBondContact CB-O 3.33Å; S293-I388 PolarHBondContact OG-O 3.16Å
294	K	98.3	Very high	97.1	Very high	129 Å²	129	52.5 Å²	52.5	56%	0.561	24%	0.243	S	C	*	.	H	α-helix	trans	-79.9	-38.4	-175.8	-174.2	173.6	176.3	-161	0	114.3	S290 V291 V292	S290-K294 WeakPolarHBondContact O-CB 3.43Å; S290-K294 PolarHBondContact O-N 2.83Å; V291-K294 PolarHBondContact O-N 3.4Å; V292-K294 VanDerWaalsContact C-N 3.27Å; V292-K294 PolarHBondContact O-N 3.17Å
295	Y	98.4	Very high	97.2	Very high	24 Å²	24	50 Å²	50	9%	0.094	24%	0.236	C	C	.	.	H	α-helix	trans	-117.7	-23.8	-163.6	-66.5	-73.4	0	0	0	115.2	V291 V292 K297 R298 A299 E307 A308	V291-Y295 HydrophobicContact CG1-CD2 3.83Å; V291-Y295 WeakPolarHBondContact O-CB 3.31Å; V291-Y295 WeakPolarHBondContact O-CD2 3.46Å; V291-Y295 PolarHBondContact O-N 3.34Å; V292-Y295 PolarHBondContact O-N 2.97Å; Y295-K297 PolarHBondContact O-N 3.39Å; Y295-R298 WeakPolarHBondContact O-CB 3.33Å; Y295-R298 PolarHBondContact O-N 3.2Å; Y295-R298 VanDerWaalsContact O-N 3.14Å; Y295-A299 WeakPolarHBondContact O-CB 3.18Å; Y295-A299 PolarHBondContact O-N 3.04Å; Y295-E307 VanDerWaalsContact CE1-CD 3.47Å; Y295-E307 HydrophobicContact CE1-CG 3.93Å; Y295-E307 VanDerWaalsContact CE1-OE1 3.27Å; Y295-E307 WeakPolarHBondContact CE1-OE1 3.48Å; Y295-E307 PolarHBondContact OH-OE1 3.1Å; Y295-A308 HydrophobicContact CD1-CB 4.09Å
296	M	97.4	Very high	97.1	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-60	-46.5	-172	-178.4	172.2	170	0	0	112.3	A239 F243 V292 R298 A299 V300 M312 F412 L416	A239-M296 WeakPolarHBondContact O-CE 3.33Å; F243-M296 HydrophobicContact CD1-CE 3.39Å; F243-M296 HydrophobicContact CE1-CE 3.45Å; F243-M296 VanDerWaalsContact CE1-CE 3.45Å; F243-M296 HydrophobicContact CG-CE 3.96Å; F243-M296 HydrophobicContact CZ-CE 4.08Å; F243-M296 VanDerWaalsContact N-CE 3.34Å; V292-M296 HydrophobicContact CG1-CB 4.12Å; V292-M296 HydrophobicContact CG1-SD 3.78Å; V292-M296 WeakPolarHBondContact O-CB 3.35Å; V292-M296 PolarHBondContact O-N 3.25Å; M296-R298 VanDerWaalsContact C-N 3.28Å; M296-R298 PolarHBondContact O-N 3.1Å; M296-A299 PolarHBondContact O-N 3.18Å; M296-V300 HydrophobicContact CG-CG2 4.38Å; M296-V300 WeakPolarHBondContact O-CG2 3.36Å; M296-V300 PolarHBondContact O-N 3.28Å; M296-M312 HydrophobicContact CB-CE 4.03Å; M296-M312 HydrophobicContact CB-SD 3.74Å; M296-M312 HydrophobicContact CG-CE 4.08Å; M296-M312 HydrophobicContact CG-SD 4.4Å; M296-M312 HydrophobicContact SD-CE 4.39Å; M296-F412 HydrophobicContact CB-CZ 4.13Å; M296-F412 HydrophobicContact CE-CE1 4.16Å; M296-F412 HydrophobicContact CG-CE1 4.37Å; M296-F412 HydrophobicContact CG-CZ 4.34Å; M296-F412 HydrophobicContact SD-CE1 3.59Å; M296-F412 VanDerWaalsContact SD-CE1 3.59Å; M296-F412 HydrophobicContact SD-CZ 3.94Å; M296-L416 HydrophobicContact CE-CD1 3.71Å; M296-L416 HydrophobicContact CG-CD1 4.38Å; M296-L416 HydrophobicContact SD-CD1 4.42Å
297	K	96.9	Very high	97.1	Very high	60 Å²	60	53.9 Å²	53.9	26%	0.261	26%	0.26	S	S	.	.	H	α-helix	trans	-60.7	-37.1	179.2	-64.1	-176.6	-175.5	178.1	0	112.7	Y295 R301 F412 D415 L416	Y295-K297 PolarHBondContact O-N 3.39Å; K297-R301 WeakPolarHBondContact O-CB 3.42Å; K297-R301 WeakPolarHBondContact O-CD 3.44Å; K297-R301 VanDerWaalsContact O-CG 3.24Å; K297-R301 WeakPolarHBondContact O-CG 3.46Å; K297-R301 PolarHBondContact O-N 2.92Å; K297-F412 HydrophobicContact CG-CE2 4.42Å; K297-F412 HydrophobicContact CG-CZ 4.37Å; K297-D415 IonicContact NZ-OD2 3.21Å; K297-D415 PolarHBondContact NZ-OD2 2.71Å; K297-L416 HydrophobicContact CB-CD2 4.43Å; K297-L416 HydrophobicContact CG-CD2 4.12Å; K297-L416 HydrophobicContact CG-CG 4.38Å
298	R	97.6	Very high	97.1	Very high	88 Å²	88	49.7 Å²	49.7	33%	0.332	24%	0.24	S	C	.	.	H	α-helix	trans	-67.7	-50.4	175.4	-72	169.8	54.3	-171.5	-3.9	110.9	Y295 M296 V300 R301 D302 D305 E307 A308	Y295-R298 WeakPolarHBondContact O-CB 3.33Å; Y295-R298 PolarHBondContact O-N 3.2Å; Y295-R298 VanDerWaalsContact O-N 3.14Å; M296-R298 VanDerWaalsContact C-N 3.28Å; M296-R298 PolarHBondContact O-N 3.1Å; R298-V300 VanDerWaalsContact C-N 3.27Å; R298-V300 PolarHBondContact O-N 3.19Å; R298-R301 PolarHBondContact O-N 3.28Å; R298-D302 PolarHBondContact O-N 2.93Å; R298-D305 IonicContact CZ-OD1 3.53Å; R298-D305 IonicContact CZ-OD2 4Å; R298-D305 IonicContact NE-OD2 2.71Å; R298-D305 PolarHBondContact NE-OD2 3.03Å; R298-D305 VanDerWaalsContact NH2-CG 3.32Å; R298-D305 IonicContact NH2-OD1 2.62Å; R298-D305 PolarHBondContact NH2-OD1 3.23Å; R298-D305 IonicContact NH2-OD2 3.77Å; R298-D305 PolarHBondContact NH2-OD2 3.43Å; R298-E307 IonicContact CZ-OE2 3.62Å; R298-E307 IonicContact NH1-OE2 2.72Å; R298-E307 PolarHBondContact NH1-OE2 3.22Å; R298-E307 VanDerWaalsContact NH1-OE2 3.11Å; R298-E307 IonicContact NH2-OE2 2.69Å; R298-E307 PolarHBondContact NH2-OE2 2.93Å; R298-A308 HydrophobicContact CB-CB 3.66Å
299	A	97.3	Very high	97	Very high	4 Å²	4	50 Å²	50	3%	0.033	24%	0.242	C	C	.	.	H	α-helix	trans	-59.7	-37.2	-179.1	0	0	0	0	0	112.5	Y295 M296 A308 R309 M312	Y295-A299 WeakPolarHBondContact O-CB 3.18Å; Y295-A299 PolarHBondContact O-N 3.04Å; M296-A299 PolarHBondContact O-N 3.18Å; A299-A308 HydrophobicContact CB-CB 3.9Å; A299-R309 PolarHBondContact O-NE 3.32Å; A299-R309 PolarHBondContact O-NH2 3.01Å; A299-M312 HydrophobicContact CB-CB 4.42Å; A299-M312 HydrophobicContact CB-CG 3.77Å
300	V	96.4	Very high	96.9	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-68	-50	176.3	174.3	0	0	0	0	110.9	E235 A239 M296 R298 L416	E235-V300 HydrophobicContact CG-CG1 3.71Å; E235-V300 WeakPolarHBondContact CG-O 3.3Å; A239-V300 HydrophobicContact CB-CG1 3.98Å; A239-V300 HydrophobicContact CB-CG2 3.92Å; M296-V300 HydrophobicContact CG-CG2 4.38Å; M296-V300 WeakPolarHBondContact O-CG2 3.36Å; M296-V300 PolarHBondContact O-N 3.28Å; R298-V300 VanDerWaalsContact C-N 3.27Å; R298-V300 PolarHBondContact O-N 3.19Å; V300-L416 HydrophobicContact CB-CD2 4.05Å; V300-L416 HydrophobicContact CG1-CD2 4.05Å; V300-L416 HydrophobicContact CG2-CD2 4.26Å
301	R	95.6	Very high	96.9	Very high	164 Å²	164	49 Å²	49	62%	0.619	24%	0.235	S	C	*	.	H	α-helix	trans	-74.9	-25.1	-172.3	-68.4	172.8	-179.2	176.1	-0.4	114.2	K297 R298 D415	K297-R301 WeakPolarHBondContact O-CB 3.42Å; K297-R301 WeakPolarHBondContact O-CD 3.44Å; K297-R301 VanDerWaalsContact O-CG 3.24Å; K297-R301 WeakPolarHBondContact O-CG 3.46Å; K297-R301 PolarHBondContact O-N 2.92Å; R298-R301 PolarHBondContact O-N 3.28Å; R301-D415 PolarHBondContact NH2-O 3.39Å
302	D	95.5	Very high	96.9	Very high	75 Å²	75	48.7 Å²	48.7	40%	0.401	23%	0.233	S	C	.	.			trans	-132.4	113	-178.7	-171.6	-4.4	0	0	0	110.3	R298 E304 D305	R298-D302 PolarHBondContact O-N 2.93Å; D302-E304 VanDerWaalsContact C-N 3.26Å; D302-E304 WeakPolarHBondContact OD1-CB 3.02Å; D302-E304 PolarHBondContact OD1-N 3.43Å; D302-D305 HydrophobicContact CB-CB 3.98Å; D302-D305 PolarHBondContact OD1-N 2.69Å
303	S	92.6	Very high	96.8	Very high	47 Å²	47	48.7 Å²	48.7	33%	0.329	23%	0.233	S	C	.	.	S	Bend	trans	-71.9	-22	175.8	58.5	0	0	0	0	113	L231	L231-S303 WeakPolarHBondContact CD2-O 3.17Å
304	E	94	Very high	96.7	Very high	138 Å²	138	48.7 Å²	48.7	65%	0.645	23%	0.23	S	C	*	.	S	Bend	trans	-93	-8.3	-176.6	-53.6	-53.5	119.1	0	0	112.6	D302 L306	D302-E304 VanDerWaalsContact C-N 3.26Å; D302-E304 WeakPolarHBondContact OD1-CB 3.02Å; D302-E304 PolarHBondContact OD1-N 3.43Å; E304-L306 PolarHBondContact O-N 2.9Å
305	D	97.1	Very high	96.7	Very high	27 Å²	27	42.6 Å²	42.6	14%	0.144	20%	0.203	C	C	.	.			trans	-69.5	82.7	172	-171.7	-19.8	0	0	0	110	R298 D302 E307 A308 R309	R298-D305 IonicContact CZ-OD1 3.53Å; R298-D305 IonicContact CZ-OD2 4Å; R298-D305 IonicContact NE-OD2 2.71Å; R298-D305 PolarHBondContact NE-OD2 3.03Å; R298-D305 VanDerWaalsContact NH2-CG 3.32Å; R298-D305 IonicContact NH2-OD1 2.62Å; R298-D305 PolarHBondContact NH2-OD1 3.23Å; R298-D305 IonicContact NH2-OD2 3.77Å; R298-D305 PolarHBondContact NH2-OD2 3.43Å; D302-D305 HydrophobicContact CB-CB 3.98Å; D302-D305 PolarHBondContact OD1-N 2.69Å; D305-E307 PolarHBondContact O-N 3.42Å; D305-E307 PolarHBondContact OD1-N 2.87Å; D305-A308 HydrophobicContact CB-CB 4.05Å; D305-A308 VanDerWaalsContact CG-CB 3.42Å; D305-A308 PolarHBondContact O-N 2.9Å; D305-A308 VanDerWaalsContact O-N 3.17Å; D305-A308 WeakPolarHBondContact OD1-CB 3.36Å; D305-A308 PolarHBondContact OD1-N 3.11Å; D305-A308 WeakPolarHBondContact OD2-CB 3.4Å; D305-R309 WeakPolarHBondContact O-CB 3.4Å; D305-R309 WeakPolarHBondContact O-CG 3.4Å; D305-R309 PolarHBondContact O-N 3.15Å
306	L	96.1	Very high	96.6	Very high	78 Å²	78	41.4 Å²	41.4	41%	0.408	20%	0.198	S	C	.	.	H	α-helix	trans	-58.2	-37	-178.2	-179.9	62.1	0	0	0	111.6	L228 L231 E304 S310	L228-L306 HydrophobicContact CD2-CD1 4.08Å; L231-L306 HydrophobicContact CD1-CD1 4.29Å; L231-L306 HydrophobicContact CD2-CD1 4.09Å; E304-L306 PolarHBondContact O-N 2.9Å; L306-S310 WeakPolarHBondContact O-CB 3.32Å; L306-S310 PolarHBondContact O-N 2.98Å; L306-S310 PolarHBondContact O-OG 3.29Å
307	E	97.8	Very high	96.6	Very high	94 Å²	94	41.6 Å²	41.6	44%	0.439	20%	0.199	S	C	.	.	H	α-helix	trans	-62.8	-49.7	177.8	-170.9	-158.1	178.9	0	0	110	Y295 R298 D305 S311	Y295-E307 VanDerWaalsContact CE1-CD 3.47Å; Y295-E307 HydrophobicContact CE1-CG 3.93Å; Y295-E307 VanDerWaalsContact CE1-OE1 3.27Å; Y295-E307 WeakPolarHBondContact CE1-OE1 3.48Å; Y295-E307 PolarHBondContact OH-OE1 3.1Å; R298-E307 IonicContact CZ-OE2 3.62Å; R298-E307 IonicContact NH1-OE2 2.72Å; R298-E307 PolarHBondContact NH1-OE2 3.22Å; R298-E307 VanDerWaalsContact NH1-OE2 3.11Å; R298-E307 IonicContact NH2-OE2 2.69Å; R298-E307 PolarHBondContact NH2-OE2 2.93Å; D305-E307 PolarHBondContact O-N 3.42Å; D305-E307 PolarHBondContact OD1-N 2.87Å; E307-S311 VanDerWaalsContact O-CB 3.25Å; E307-S311 WeakPolarHBondContact O-CB 3.49Å; E307-S311 PolarHBondContact O-N 3.41Å; E307-S311 PolarHBondContact O-OG 3.1Å
308	A	97.9	Very high	96.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.7	-42.5	-178.9	0	0	0	0	0	112.1	Y295 R298 A299 D305 S311 M312	Y295-A308 HydrophobicContact CD1-CB 4.09Å; R298-A308 HydrophobicContact CB-CB 3.66Å; A299-A308 HydrophobicContact CB-CB 3.9Å; D305-A308 HydrophobicContact CB-CB 4.05Å; D305-A308 VanDerWaalsContact CG-CB 3.42Å; D305-A308 PolarHBondContact O-N 2.9Å; D305-A308 VanDerWaalsContact O-N 3.17Å; D305-A308 WeakPolarHBondContact OD1-CB 3.36Å; D305-A308 PolarHBondContact OD1-N 3.11Å; D305-A308 WeakPolarHBondContact OD2-CB 3.4Å; A308-S311 PolarHBondContact O-N 3.33Å; A308-M312 WeakPolarHBondContact O-CB 3.23Å; A308-M312 WeakPolarHBondContact O-CG 3.39Å; A308-M312 PolarHBondContact O-N 3.25Å
309	R	96.6	Very high	96.5	Very high	6 Å²	6	36.2 Å²	36.2	2%	0.023	18%	0.178	C	C	.	.	H	α-helix	trans	-64.3	-42.9	177.2	-71.9	-76.2	175.6	149.1	-4.1	112.1	T230 L231 M233 A299 D305 H313	T230-R309 PolarHBondContact O-NH1 3.24Å; L231-R309 HydrophobicContact CD2-CB 3.99Å; L231-R309 HydrophobicContact CD2-CG 4.05Å; M233-R309 PolarHBondContact O-NH1 3.38Å; A299-R309 PolarHBondContact O-NE 3.32Å; A299-R309 PolarHBondContact O-NH2 3.01Å; D305-R309 WeakPolarHBondContact O-CB 3.4Å; D305-R309 WeakPolarHBondContact O-CG 3.4Å; D305-R309 PolarHBondContact O-N 3.15Å; R309-H313 WeakPolarHBondContact O-CB 3.29Å; R309-H313 PolarHBondContact O-N 3Å
310	S	96.8	Very high	96.4	Very high	13 Å²	13	36 Å²	36	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-47.1	173.9	-60	0	0	0	0	111.8	Y54 P227 L306 M312 H313 L314	Y54-S310 WeakPolarHBondContact OH-CB 3.46Å; P227-S310 WeakPolarHBondContact CB-OG 3.35Å; L306-S310 WeakPolarHBondContact O-CB 3.32Å; L306-S310 PolarHBondContact O-N 2.98Å; L306-S310 PolarHBondContact O-OG 3.29Å; S310-M312 PolarHBondContact O-N 2.88Å; S310-H313 WeakPolarHBondContact O-CB 3.48Å; S310-H313 PolarHBondContact O-N 3.43Å; S310-L314 PolarHBondContact O-N 2.91Å
311	S	98	Very high	96.3	Very high	22 Å²	22	36.6 Å²	36.6	15%	0.154	18%	0.18	C	C	.	.	H	α-helix	trans	-63.2	-44	-178.9	-59	0	0	0	0	111.1	V291 E307 A308 H313 L314 A315	V291-S311 WeakPolarHBondContact CG1-O 3.39Å; E307-S311 VanDerWaalsContact O-CB 3.25Å; E307-S311 WeakPolarHBondContact O-CB 3.49Å; E307-S311 PolarHBondContact O-N 3.41Å; E307-S311 PolarHBondContact O-OG 3.1Å; A308-S311 PolarHBondContact O-N 3.33Å; S311-H313 VanDerWaalsContact C-N 3.33Å; S311-H313 PolarHBondContact O-N 3.38Å; S311-L314 PolarHBondContact O-N 3.4Å; S311-A315 PolarHBondContact O-N 2.82Å
312	M	98.1	Very high	96.2	Very high	7 Å²	7	28.8 Å²	28.8	3%	0.034	15%	0.15	C	C	.	.	H	α-helix	trans	-65.9	-35.1	176	-75.1	-57.2	-59.1	0	0	112.5	A190 V292 M296 A299 A308 S310 L314 A315 S316	A190-M312 HydrophobicContact CB-CB 4.19Å; V292-M312 HydrophobicContact CG2-CE 4.12Å; V292-M312 HydrophobicContact CG2-SD 4.34Å; M296-M312 HydrophobicContact CB-CE 4.03Å; M296-M312 HydrophobicContact CB-SD 3.74Å; M296-M312 HydrophobicContact CG-CE 4.08Å; M296-M312 HydrophobicContact CG-SD 4.4Å; M296-M312 HydrophobicContact SD-CE 4.39Å; A299-M312 HydrophobicContact CB-CB 4.42Å; A299-M312 HydrophobicContact CB-CG 3.77Å; A308-M312 WeakPolarHBondContact O-CB 3.23Å; A308-M312 WeakPolarHBondContact O-CG 3.39Å; A308-M312 PolarHBondContact O-N 3.25Å; S310-M312 PolarHBondContact O-N 2.88Å; M312-L314 VanDerWaalsContact C-N 3.33Å; M312-L314 PolarHBondContact O-N 3.37Å; M312-A315 WeakPolarHBondContact O-CB 3.22Å; M312-A315 PolarHBondContact O-N 3.3Å; M312-A315 VanDerWaalsContact O-N 3.16Å; M312-A315 HydrophobicContact SD-CB 4.36Å; M312-S316 PolarHBondContact O-N 2.95Å
313	H	96.9	Very high	96.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.3	-44	174.4	-155.8	165.9	0	0	0	111	A190 V225 D226 T230 R309 S310 S311 S316 V317	A190-H313 HydrophobicContact CB-CB 4.35Å; V225-H313 HydrophobicContact CG1-CB 4.48Å; D226-H313 PolarHBondContact O-CE1 3.21Å; D226-H313 PolarHBondContact O-ND1 3.29Å; D226-H313 VanDerWaalsContact O-ND1 3.11Å; T230-H313 HydrophobicContact CG2-CB 4.06Å; T230-H313 WeakPolarHBondContact CG2-ND1 3.24Å; R309-H313 WeakPolarHBondContact O-CB 3.29Å; R309-H313 PolarHBondContact O-N 3Å; S310-H313 WeakPolarHBondContact O-CB 3.48Å; S310-H313 PolarHBondContact O-N 3.43Å; S311-H313 VanDerWaalsContact C-N 3.33Å; S311-H313 PolarHBondContact O-N 3.38Å; H313-S316 WeakPolarHBondContact O-CB 3.4Å; H313-S316 PolarHBondContact O-N 3.18Å; H313-V317 PolarHBondContact O-N 3.12Å
314	L	96.6	Very high	96.1	Very high	39 Å²	39	23.6 Å²	23.6	20%	0.204	12%	0.119	C	C	.	.	H	α-helix	trans	-67.4	-35	172	-78.9	174.5	0	0	0	113.1	Y54 S310 S311 M312 S316 V317 F318	Y54-L314 HydrophobicContact CD1-CD1 4.31Å; Y54-L314 HydrophobicContact CD1-CD2 4.39Å; Y54-L314 HydrophobicContact CD2-CD1 4.23Å; Y54-L314 HydrophobicContact CD2-CD2 3.5Å; Y54-L314 HydrophobicContact CD2-CG 3.78Å; Y54-L314 HydrophobicContact CE1-CD1 3.89Å; Y54-L314 HydrophobicContact CE1-CG 4.48Å; Y54-L314 HydrophobicContact CE2-CD1 3.8Å; Y54-L314 HydrophobicContact CE2-CD2 3.83Å; Y54-L314 HydrophobicContact CE2-CG 3.53Å; Y54-L314 HydrophobicContact CG-CD1 4.46Å; Y54-L314 HydrophobicContact CG-CD2 3.8Å; Y54-L314 HydrophobicContact CG-CG 4.35Å; S310-L314 PolarHBondContact O-N 2.91Å; S311-L314 PolarHBondContact O-N 3.4Å; M312-L314 VanDerWaalsContact C-N 3.33Å; M312-L314 PolarHBondContact O-N 3.37Å; L314-S316 VanDerWaalsContact C-N 3.26Å; L314-S316 PolarHBondContact O-N 2.77Å; L314-V317 WeakPolarHBondContact O-CB 3.46Å; L314-V317 PolarHBondContact O-N 2.99Å; L314-F318 HydrophobicContact CB-CD2 4.43Å; L314-F318 HydrophobicContact CB-CE2 3.8Å; L314-F318 HydrophobicContact CB-CZ 4.02Å; L314-F318 HydrophobicContact CD2-CZ 4.35Å; L314-F318 WeakPolarHBondContact O-CD2 3.39Å; L314-F318 VanDerWaalsContact O-CG 3.25Å; L314-F318 WeakPolarHBondContact O-CG 3.47Å; L314-F318 PolarHBondContact O-N 2.97Å
315	A	97.7	Very high	95.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.1	-40.2	175.6	0	0	0	0	0	111.7	V245 V291 S311 M312 V317 F318 A319	V245-A315 HydrophobicContact CG1-CB 3.94Å; V291-A315 HydrophobicContact CB-CB 4.03Å; V291-A315 HydrophobicContact CG1-CB 3.69Å; S311-A315 PolarHBondContact O-N 2.82Å; M312-A315 WeakPolarHBondContact O-CB 3.22Å; M312-A315 PolarHBondContact O-N 3.3Å; M312-A315 VanDerWaalsContact O-N 3.16Å; M312-A315 HydrophobicContact SD-CB 4.36Å; A315-V317 VanDerWaalsContact C-N 3.35Å; A315-F318 PolarHBondContact O-N 3.27Å; A315-A319 WeakPolarHBondContact O-CB 3.38Å; A315-A319 PolarHBondContact O-N 2.92Å
316	S	96.9	Very high	95.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.2	-43.6	172.7	175	0	0	0	0	112	G191 G193 M312 H313 L314 G320	G191-S316 PolarHBondContact N-OG 3.4Å; G191-S316 PolarHBondContact O-OG 2.72Å; G193-S316 PolarHBondContact N-OG 3.34Å; G193-S316 VanDerWaalsContact N-OG 3.13Å; M312-S316 PolarHBondContact O-N 2.95Å; H313-S316 WeakPolarHBondContact O-CB 3.4Å; H313-S316 PolarHBondContact O-N 3.18Å; L314-S316 VanDerWaalsContact C-N 3.26Å; L314-S316 PolarHBondContact O-N 2.77Å; S316-G320 PolarHBondContact O-N 2.89Å
317	V	96.4	Very high	95.6	Very high	4 Å²	4	12.1 Å²	12.1	2%	0.024	6%	0.063	C	C	.	.	H	α-helix	trans	-63.3	-46.6	176.2	179.3	0	0	0	0	110.9	I52 E195 T196 V225 H313 L314 A315 G320 I321	I52-V317 HydrophobicContact CD1-CG1 4.32Å; I52-V317 HydrophobicContact CG1-CG1 3.97Å; I52-V317 HydrophobicContact CG2-CG1 4.24Å; E195-V317 WeakPolarHBondContact OE1-CG2 3.28Å; T196-V317 HydrophobicContact CG2-CG1 3.93Å; V225-V317 HydrophobicContact CB-CG2 4.42Å; V225-V317 HydrophobicContact CG1-CG2 4Å; V225-V317 HydrophobicContact CG2-CG2 3.64Å; H313-V317 PolarHBondContact O-N 3.12Å; L314-V317 WeakPolarHBondContact O-CB 3.46Å; L314-V317 PolarHBondContact O-N 2.99Å; A315-V317 VanDerWaalsContact C-N 3.35Å; V317-G320 PolarHBondContact O-N 3.28Å; V317-I321 HydrophobicContact CG1-CD1 3.92Å; V317-I321 VanDerWaalsContact O-CG1 3.3Å; V317-I321 WeakPolarHBondContact O-CG1 3.26Å; V317-I321 PolarHBondContact O-N 2.88Å
318	F	96.3	Very high	95.6	Very high	35 Å²	35	7.7 Å²	7.7	15%	0.154	4%	0.042	C	C	.	.	H	α-helix	trans	-63.4	-48.1	179.8	-58.5	-37.6	0	0	0	111.4	W284 H287 A288 L314 A315 G320 I321 G322	W284-F318 WeakPolarHBondContact CB-O 3.29Å; W284-F318 HydrophobicContact CE3-CB 4.23Å; W284-F318 AromaticContact CE3-CD1 3.55Å; W284-F318 HydrophobicContact CE3-CD1 3.55Å; W284-F318 HydrophobicContact CE3-CE1 4.26Å; W284-F318 HydrophobicContact CE3-CG 4.16Å; W284-F318 AromaticContact CZ3-CD1 3.55Å; W284-F318 HydrophobicContact CZ3-CD1 3.55Å; W284-F318 AromaticContact CZ3-CE1 3.8Å; W284-F318 HydrophobicContact CZ3-CE1 3.8Å; H287-F318 AromaticContact CD2-CD2 3.4Å; H287-F318 WeakPolarHBondContact CD2-CD2 3.46Å; H287-F318 AromaticContact CD2-CE2 3.37Å; H287-F318 WeakPolarHBondContact CD2-CE2 3.33Å; H287-F318 AromaticContact CD2-CZ 3.99Å; H287-F318 AromaticContact NE2-CD2 3.95Å; H287-F318 AromaticContact NE2-CE2 3.45Å; H287-F318 WeakPolarHBondContact NE2-CE2 3.41Å; A288-F318 HydrophobicContact CB-CB 4.18Å; L314-F318 HydrophobicContact CB-CD2 4.43Å; L314-F318 HydrophobicContact CB-CE2 3.8Å; L314-F318 HydrophobicContact CB-CZ 4.02Å; L314-F318 HydrophobicContact CD2-CZ 4.35Å; L314-F318 WeakPolarHBondContact O-CD2 3.39Å; L314-F318 VanDerWaalsContact O-CG 3.25Å; L314-F318 WeakPolarHBondContact O-CG 3.47Å; L314-F318 PolarHBondContact O-N 2.97Å; A315-F318 PolarHBondContact O-N 3.27Å; F318-G320 VanDerWaalsContact C-N 3.31Å; F318-G320 PolarHBondContact O-N 3.33Å; F318-I321 PolarHBondContact O-N 2.98Å; F318-G322 PolarHBondContact O-N 3.37Å
319	A	96	Very high	95.5	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-56.2	-49.5	173.3	0	0	0	0	0	110	V245 H248 A288 A315 I321 G322 F323	V245-A319 HydrophobicContact CG1-CB 3.86Å; H248-A319 HydrophobicContact CB-CB 4.03Å; A288-A319 HydrophobicContact CB-CB 4.15Å; A315-A319 WeakPolarHBondContact O-CB 3.38Å; A315-A319 PolarHBondContact O-N 2.92Å; A319-I321 VanDerWaalsContact C-N 3.33Å; A319-I321 PolarHBondContact O-N 2.74Å; A319-G322 CarbonylContact O-C 3.38Å; A319-G322 WeakPolarHBondContact O-CA 3.34Å; A319-G322 PolarHBondContact O-N 3.2Å; A319-F323 WeakPolarHBondContact O-CD1 3.31Å; A319-F323 PolarHBondContact O-N 3.49Å
320	G	94.8	Very high	95.6	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.01	4%	0.041	C	C	.	.	H	α-helix	trans	-51.8	-43.3	176.2	0	0	0	0	0	114.8	T196 S316 V317 F318 F323 G324	T196-G320 WeakPolarHBondContact OG1-CA 3.47Å; T196-G320 PolarHBondContact OG1-O 3.38Å; S316-G320 PolarHBondContact O-N 2.89Å; V317-G320 PolarHBondContact O-N 3.28Å; F318-G320 VanDerWaalsContact C-N 3.31Å; F318-G320 PolarHBondContact O-N 3.33Å; G320-F323 VanDerWaalsContact CA-CE1 3.46Å; G320-G324 VanDerWaalsContact O-CA 3.23Å; G320-G324 WeakPolarHBondContact O-CA 3.37Å; G320-G324 PolarHBondContact O-N 2.85Å
321	I	94.2	Very high	95.6	Very high	19 Å²	19	6.8 Å²	6.8	10%	0.097	4%	0.037	C	C	.	.	H	α-helix	trans	-69.2	-40.4	175.7	-67.9	168.6	0	0	0	110.8	M47 T196 W284 V317 F318 A319 N325	M47-I321 HydrophobicContact CE-CG2 3.21Å; T196-I321 HydrophobicContact CG2-CG1 4.15Å; T196-I321 PolarHBondContact OG1-N 3.03Å; W284-I321 HydrophobicContact CD2-CB 4.5Å; W284-I321 HydrophobicContact CD2-CG2 4.04Å; W284-I321 HydrophobicContact CG-CB 4.34Å; W284-I321 HydrophobicContact CG-CG2 3.9Å; V317-I321 HydrophobicContact CG1-CD1 3.92Å; V317-I321 VanDerWaalsContact O-CG1 3.3Å; V317-I321 WeakPolarHBondContact O-CG1 3.26Å; V317-I321 PolarHBondContact O-N 2.88Å; F318-I321 PolarHBondContact O-N 2.98Å; A319-I321 VanDerWaalsContact C-N 3.33Å; A319-I321 PolarHBondContact O-N 2.74Å; I321-N325 PolarHBondContact O-ND2 3.03Å
322	G	93.6	Very high	95.5	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-66.2	-67.3	177	0	0	0	0	0	112.7	S281 F318 A319 G324 N325 A326	S281-G322 WeakPolarHBondContact CB-O 3.49Å; S281-G322 PolarHBondContact OG-O 2.95Å; F318-G322 PolarHBondContact O-N 3.37Å; A319-G322 CarbonylContact O-C 3.38Å; A319-G322 WeakPolarHBondContact O-CA 3.34Å; A319-G322 PolarHBondContact O-N 3.2Å; G322-G324 VanDerWaalsContact C-N 3.26Å; G322-G324 PolarHBondContact O-N 2.62Å; G322-N325 PolarHBondContact O-N 3.33Å; G322-N325 VanDerWaalsContact O-N 3.15Å; G322-A326 PolarHBondContact O-N 3.47Å
323	F	94.5	Very high	95.4	Very high	8 Å²	8	5.6 Å²	5.6	4%	0.035	3%	0.029	C	C	.	.	H	α-helix	trans	-66.7	-26.9	-177.9	95.3	-98.9	0	0	0	112.2	T197 H248 Y274 A319 G320 N325 G327 V328	T197-F323 HydrophobicContact CG2-CE1 4.06Å; T197-F323 HydrophobicContact CG2-CE2 4.09Å; T197-F323 HydrophobicContact CG2-CZ 3.6Å; H248-F323 HydrophobicContact CB-CB 4.33Å; H248-F323 HydrophobicContact CB-CD1 3.77Å; H248-F323 HydrophobicContact CB-CE1 4.37Å; H248-F323 HydrophobicContact CB-CG 4.2Å; H248-F323 AromaticContact CD2-CD1 3.42Å; H248-F323 VanDerWaalsContact CD2-CD1 3.42Å; H248-F323 WeakPolarHBondContact CD2-CD1 3.22Å; H248-F323 AromaticContact CD2-CD2 3.7Å; H248-F323 AromaticContact CD2-CE1 3.48Å; H248-F323 VanDerWaalsContact CD2-CE1 3.48Å; H248-F323 WeakPolarHBondContact CD2-CE1 3.37Å; H248-F323 AromaticContact CD2-CE2 3.72Å; H248-F323 AromaticContact CD2-CG 3.56Å; H248-F323 AromaticContact CD2-CZ 3.63Å; H248-F323 AromaticContact CE1-CE1 3.66Å; H248-F323 AromaticContact CE1-CZ 3.77Å; H248-F323 AromaticContact CG-CD1 3.52Å; H248-F323 AromaticContact CG-CE1 3.67Å; H248-F323 AromaticContact ND1-CE1 3.75Å; H248-F323 AromaticContact NE2-CD1 3.92Å; H248-F323 AromaticContact NE2-CE1 3.45Å; H248-F323 WeakPolarHBondContact NE2-CE1 3.25Å; H248-F323 AromaticContact NE2-CE2 3.57Å; H248-F323 AromaticContact NE2-CZ 3.26Å; H248-F323 VanDerWaalsContact NE2-CZ 3.26Å; H248-F323 WeakPolarHBondContact NE2-CZ 3.4Å; Y274-F323 WeakPolarHBondContact CD1-O 3.21Å; Y274-F323 HydrophobicContact CE1-CD2 4.27Å; Y274-F323 HydrophobicContact CE1-CE2 4.5Å; Y274-F323 WeakPolarHBondContact CE1-O 3.42Å; Y274-F323 WeakPolarHBondContact OH-CE2 3.13Å; A319-F323 WeakPolarHBondContact O-CD1 3.31Å; A319-F323 PolarHBondContact O-N 3.49Å; G320-F323 VanDerWaalsContact CA-CE1 3.46Å; F323-N325 PolarHBondContact O-N 2.97Å; F323-G327 WeakPolarHBondContact O-CA 3.23Å; F323-G327 PolarHBondContact O-N 3.46Å; F323-V328 HydrophobicContact CB-CG1 4.1Å; F323-V328 HydrophobicContact CD2-CG1 4.06Å; F323-V328 HydrophobicContact CG-CG1 4.3Å
324	G	91.3	Very high	95.4	Very high	4 Å²	4	5.6 Å²	5.6	4%	0.041	3%	0.029	C	C	.	.	H	α-helix	trans	-58.2	-20.1	174.5	0	0	0	0	0	113.9	G320 G322	G320-G324 VanDerWaalsContact O-CA 3.23Å; G320-G324 WeakPolarHBondContact O-CA 3.37Å; G320-G324 PolarHBondContact O-N 2.85Å; G322-G324 VanDerWaalsContact C-N 3.26Å; G322-G324 PolarHBondContact O-N 2.62Å
325	N	90.5	Very high	95.4	Very high	3 Å²	3	3.8 Å²	3.8	2%	0.016	2%	0.019	C	C	.	.	H	α-helix	trans	-115.5	-36.5	177.9	-63.8	-81.6	0	0	0	112.9	M47 A48 A273 Q275 I321 G322 F323	M47-N325 WeakPolarHBondContact CA-OD1 3.08Å; M47-N325 HydrophobicContact CG-CB 4.46Å; A48-N325 PolarHBondContact N-OD1 3.33Å; A273-N325 WeakPolarHBondContact O-CA 3.25Å; A273-N325 VanDerWaalsContact O-O 3.13Å; Q275-N325 WeakPolarHBondContact CB-O 3.39Å; Q275-N325 PolarHBondContact N-O 2.88Å; I321-N325 PolarHBondContact O-ND2 3.03Å; G322-N325 PolarHBondContact O-N 3.33Å; G322-N325 VanDerWaalsContact O-N 3.15Å; F323-N325 PolarHBondContact O-N 2.97Å
326	A	93.8	Very high	95.1	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-80.6	-38.2	176.5	0	0	0	0	0	113.2	Q275 G276 G322	Q275-A326 PolarHBondContact N-O 2.85Å; G276-A326 CarbonylContact C-O 3.43Å; G276-A326 VanDerWaalsContact CA-O 3.27Å; G276-A326 WeakPolarHBondContact CA-O 3.43Å; G276-A326 PolarHBondContact N-O 3.27Å; G276-A326 VanDerWaalsContact O-CA 3.25Å; G276-A326 WeakPolarHBondContact O-CA 3.32Å; G276-A326 WeakPolarHBondContact O-CB 3.28Å; G322-A326 PolarHBondContact O-N 3.47Å
327	G	93.9	Very high	95	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.			trans	90	-175.3	-171.1	0	0	0	0	0	113.7	S252 Y274 F323	S252-G327 VanDerWaalsContact CA-O 3.23Å; S252-G327 WeakPolarHBondContact CA-O 3.3Å; S252-G327 WeakPolarHBondContact CB-O 3.1Å; Y274-G327 VanDerWaalsContact CD2-CA 3.44Å; F323-G327 WeakPolarHBondContact O-CA 3.23Å; F323-G327 PolarHBondContact O-N 3.46Å
328	V	96.1	Very high	94.9	Very high	1 Å²	1	3.9 Å²	3.9	1%	0.006	2%	0.019	C	C	.	.			trans	-130	170	176.5	-68.6	0	0	0	0	108.8	E251 Y274 F323 H332 V445	E251-V328 HydrophobicContact CB-CB 4.08Å; E251-V328 HydrophobicContact CB-CG1 4.15Å; Y274-V328 HydrophobicContact CE2-CG2 4.27Å; F323-V328 HydrophobicContact CB-CG1 4.1Å; F323-V328 HydrophobicContact CD2-CG1 4.06Å; F323-V328 HydrophobicContact CG-CG1 4.3Å; V328-H332 HydrophobicContact CB-CB 4.08Å; V328-H332 HydrophobicContact CG2-CB 3.55Å; V328-H332 VanDerWaalsContact CG2-CG 3.48Å; V328-V445 HydrophobicContact CG2-CB 4.31Å; V328-V445 HydrophobicContact CG2-CG1 3.73Å
329	H	96.7	Very high	94.7	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	2%	0.015	C	C	.	.			trans	-130.5	-127.4	-172.2	59.2	51.6	0	0	0	114.1	E251 T254 C331 H332 G333 F371 V445 L448	E251-H329 VanDerWaalsContact CG-CE1 3.43Å; E251-H329 WeakPolarHBondContact CG-CE1 3.07Å; E251-H329 PolarHBondContact O-CD2 3.13Å; E251-H329 VanDerWaalsContact OE1-CA 3.26Å; E251-H329 WeakPolarHBondContact OE1-CA 3.36Å; E251-H329 IonicContact OE1-CE1 3.88Å; E251-H329 PolarHBondContact OE1-CE1 2.99Å; E251-H329 IonicContact OE1-CG 2.75Å; E251-H329 PolarHBondContact OE1-N 3.08Å; E251-H329 IonicContact OE1-ND1 2.63Å; E251-H329 PolarHBondContact OE1-ND1 3.34Å; T254-H329 PolarHBondContact OG1-NE2 3.06Å; H329-C331 PolarHBondContact O-N 3.48Å; H329-H332 PolarHBondContact O-N 3.42Å; H329-G333 PolarHBondContact O-N 3.24Å; H329-F371 AromaticContact CE1-CE1 3.85Å; H329-V445 WeakPolarHBondContact CA-O 3.17Å; H329-L448 HydrophobicContact CB-CB 4.45Å
330	L	97.8	Very high	94.3	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-64.2	-35.3	-168.7	-64.9	178.3	0	0	0	114.4	E251 H332 G333 M334 V370 F373 T374 T446 L458 L461	E251-L330 PolarHBondContact OE1-N 2.93Å; E251-L330 VanDerWaalsContact OE1-N 3.17Å; L330-H332 PolarHBondContact O-N 2.85Å; L330-G333 PolarHBondContact O-N 2.83Å; L330-M334 VanDerWaalsContact O-CB 3.31Å; L330-M334 WeakPolarHBondContact O-CB 3.32Å; L330-M334 VanDerWaalsContact O-CG 3.23Å; L330-M334 WeakPolarHBondContact O-CG 3.46Å; L330-M334 PolarHBondContact O-N 3.45Å; L330-V370 HydrophobicContact CB-CG1 3.71Å; L330-V370 HydrophobicContact CB-CG2 3.93Å; L330-V370 HydrophobicContact CD1-CG1 4.37Å; L330-F373 HydrophobicContact CD1-CD1 3.93Å; L330-F373 HydrophobicContact CD1-CE1 3.94Å; L330-T374 HydrophobicContact CD1-CG2 4.36Å; L330-T446 HydrophobicContact CD2-CG2 4.27Å; L330-L458 HydrophobicContact CD2-CD2 4.32Å; L330-L461 HydrophobicContact CD1-CD1 4.25Å
331	C	97.9	Very high	94.1	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-64	-48	-179.3	-45.8	0	0	0	0	109.3	E251 H329 S335 V363 V370	E251-C331 VanDerWaalsContact CD-CB 3.47Å; E251-C331 HydrophobicContact CG-CB 4.38Å; E251-C331 PolarHBondContact OE1-N 3.36Å; E251-C331 VanDerWaalsContact OE2-CB 3.32Å; E251-C331 WeakPolarHBondContact OE2-CB 3.5Å; H329-C331 PolarHBondContact O-N 3.48Å; C331-S335 VanDerWaalsContact O-CB 3.29Å; C331-S335 WeakPolarHBondContact O-CB 3.39Å; C331-S335 PolarHBondContact O-N 2.67Å; C331-V363 HydrophobicContact CB-CG1 3.76Å; C331-V370 VanDerWaalsContact SG-CG1 3.51Å
332	H	96.8	Very high	93.9	Very high	4 Å²	4	6 Å²	6	2%	0.019	4%	0.04	C	C	.	.	H	α-helix	trans	-63.3	-43.3	173.3	-82.3	76.4	0	0	0	112.7	D244 H248 E251 V328 H329 L330 M334 S335 Y336 H359	D244-H332 IonicContact OD1-CE1 2.75Å; D244-H332 IonicContact OD1-NE2 2.72Å; D244-H332 PolarHBondContact OD1-NE2 2.99Å; H248-H332 AromaticContact CD2-CE1 3.46Å; H248-H332 PolarHBondContact CD2-CE1 2.85Å; H248-H332 VanDerWaalsContact CD2-CE1 3.46Å; H248-H332 AromaticContact CD2-NE2 3.38Å; H248-H332 PolarHBondContact CD2-NE2 3.33Å; H248-H332 AromaticContact CE1-NE2 3.95Å; H248-H332 AromaticContact NE2-CE1 3.76Å; H248-H332 AromaticContact NE2-NE2 3.17Å; H248-H332 PolarHBondContact NE2-NE2 3.34Å; H248-H332 VanDerWaalsContact NE2-NE2 3.17Å; E251-H332 IonicContact OE2-CE1 3.19Å; E251-H332 IonicContact OE2-CG 2.79Å; E251-H332 PolarHBondContact OE2-N 3.22Å; E251-H332 IonicContact OE2-ND1 2.79Å; E251-H332 PolarHBondContact OE2-ND1 3.27Å; V328-H332 HydrophobicContact CB-CB 4.08Å; V328-H332 HydrophobicContact CG2-CB 3.55Å; V328-H332 VanDerWaalsContact CG2-CG 3.48Å; H329-H332 PolarHBondContact O-N 3.42Å; L330-H332 PolarHBondContact O-N 2.85Å; H332-M334 VanDerWaalsContact C-N 3.35Å; H332-M334 PolarHBondContact O-N 3.49Å; H332-S335 WeakPolarHBondContact O-CB 3.4Å; H332-S335 PolarHBondContact O-N 2.83Å; H332-S335 PolarHBondContact O-OG 3.33Å; H332-Y336 WeakPolarHBondContact O-CD1 3.36Å; H332-Y336 WeakPolarHBondContact O-CE1 3.25Å; H332-H359 AromaticContact CD2-CE1 3.86Å; H332-H359 AromaticContact CD2-NE2 3.57Å; H332-H359 AromaticContact NE2-NE2 3.8Å
333	G	95.2	Very high	93.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59.4	-43.1	178.8	0	0	0	0	0	113.4	H329 L330 P337 V445	H329-G333 PolarHBondContact O-N 3.24Å; L330-G333 PolarHBondContact O-N 2.83Å; G333-P337 WeakPolarHBondContact O-CD 3.39Å; G333-V445 VanDerWaalsContact CA-CG2 3.43Å
334	M	97.2	Very high	93.4	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-75	-27.2	178	-67	175.4	72.8	0	0	112.5	L330 H332 Y336 P337 I338 T366 V370 T439 L458 L461 F462	L330-M334 VanDerWaalsContact O-CB 3.31Å; L330-M334 WeakPolarHBondContact O-CB 3.32Å; L330-M334 VanDerWaalsContact O-CG 3.23Å; L330-M334 WeakPolarHBondContact O-CG 3.46Å; L330-M334 PolarHBondContact O-N 3.45Å; H332-M334 VanDerWaalsContact C-N 3.35Å; H332-M334 PolarHBondContact O-N 3.49Å; M334-Y336 VanDerWaalsContact C-N 3.25Å; M334-Y336 PolarHBondContact O-N 2.82Å; M334-P337 VanDerWaalsContact O-CD 3.25Å; M334-P337 WeakPolarHBondContact O-CD 3.49Å; M334-P337 VanDerWaalsContact O-CG 3.31Å; M334-P337 WeakPolarHBondContact O-CG 3.29Å; M334-I338 WeakPolarHBondContact O-CD1 3.44Å; M334-I338 VanDerWaalsContact O-CG1 3.3Å; M334-I338 WeakPolarHBondContact O-CG1 3.31Å; M334-T366 HydrophobicContact CB-CG2 4.25Å; M334-T366 HydrophobicContact CE-CG2 3.97Å; M334-V370 HydrophobicContact SD-CG2 3.89Å; M334-T439 HydrophobicContact CG-CG2 3.95Å; M334-L458 HydrophobicContact CG-CD2 4.42Å; M334-L458 HydrophobicContact SD-CD2 4.4Å; M334-L461 HydrophobicContact CE-CB 3.56Å; M334-L461 HydrophobicContact SD-CB 4.04Å; M334-L461 HydrophobicContact SD-CD1 4.01Å; M334-F462 HydrophobicContact CB-CE1 4.05Å; M334-F462 HydrophobicContact CB-CZ 3.81Å; M334-F462 HydrophobicContact CE-CD1 3.57Å; M334-F462 HydrophobicContact CE-CD2 3.7Å; M334-F462 HydrophobicContact CE-CE1 3.51Å; M334-F462 HydrophobicContact CE-CE2 3.64Å; M334-F462 HydrophobicContact CE-CG 3.66Å; M334-F462 HydrophobicContact CE-CZ 3.53Å; M334-F462 HydrophobicContact CG-CE1 4.47Å; M334-F462 HydrophobicContact CG-CE2 4.38Å; M334-F462 HydrophobicContact CG-CZ 3.93Å
335	S	96.1	Very high	93.4	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.3	-25.5	179.3	80.3	0	0	0	0	114.3	C331 H332 I338 A339 H359 S362 V363	C331-S335 VanDerWaalsContact O-CB 3.29Å; C331-S335 WeakPolarHBondContact O-CB 3.39Å; C331-S335 PolarHBondContact O-N 2.67Å; H332-S335 WeakPolarHBondContact O-CB 3.4Å; H332-S335 PolarHBondContact O-N 2.83Å; H332-S335 PolarHBondContact O-OG 3.33Å; S335-I338 PolarHBondContact O-N 3.35Å; S335-A339 WeakPolarHBondContact O-CB 3.48Å; S335-A339 PolarHBondContact O-N 2.89Å; S335-H359 PolarHBondContact OG-CE1 2.69Å; S335-H359 VanDerWaalsContact OG-CE1 3.31Å; S335-S362 WeakPolarHBondContact CB-OG 3.31Å; S335-S362 PolarHBondContact O-OG 3.21Å; S335-V363 VanDerWaalsContact CB-CG2 3.45Å; S335-V363 WeakPolarHBondContact OG-CG2 3.47Å
336	Y	92.6	Very high	93.3	Very high	6 Å²	6	20.5 Å²	20.5	2%	0.024	12%	0.118	C	C	.	.	H	α-helix	trans	-68.5	-49.7	-174.6	-73.4	11.3	0	0	0	112.4	K210 H332 M334 I338 A339 G340 H359 Q442 R444	K210-Y336 HydrophobicContact CB-CD1 4.02Å; K210-Y336 HydrophobicContact CB-CD2 3.69Å; K210-Y336 HydrophobicContact CB-CE2 4.29Å; K210-Y336 HydrophobicContact CB-CG 3.58Å; K210-Y336 HydrophobicContact CD-CD1 4.23Å; K210-Y336 WeakPolarHBondContact O-CD2 3.23Å; H332-Y336 WeakPolarHBondContact O-CD1 3.36Å; H332-Y336 WeakPolarHBondContact O-CE1 3.25Å; M334-Y336 VanDerWaalsContact C-N 3.25Å; M334-Y336 PolarHBondContact O-N 2.82Å; Y336-I338 VanDerWaalsContact C-N 3.33Å; Y336-A339 PolarHBondContact O-N 3.31Å; Y336-G340 PolarHBondContact O-N 2.96Å; Y336-H359 AromaticContact CE1-CE1 3.82Å; Y336-Q442 VanDerWaalsContact CD2-CD 3.5Å; Y336-Q442 HydrophobicContact CD2-CG 3.96Å; Y336-Q442 VanDerWaalsContact CD2-OE1 3.26Å; Y336-R444 PolarHBondContact OH-NH2 3.06Å
337	P	93.6	Very high	92.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-69.1	-28.6	170.7	25.3	-34.1	0	0	0	113.4	G333 M334 A339 G340 N341 L435 T439 F462	G333-P337 WeakPolarHBondContact O-CD 3.39Å; M334-P337 VanDerWaalsContact O-CD 3.25Å; M334-P337 WeakPolarHBondContact O-CD 3.49Å; M334-P337 VanDerWaalsContact O-CG 3.31Å; M334-P337 WeakPolarHBondContact O-CG 3.29Å; P337-A339 VanDerWaalsContact C-N 3.33Å; P337-G340 PolarHBondContact O-N 2.93Å; P337-N341 VanDerWaalsContact O-CB 3.23Å; P337-N341 WeakPolarHBondContact O-CB 3.31Å; P337-N341 PolarHBondContact O-N 2.93Å; P337-L435 HydrophobicContact CB-CD2 4.04Å; P337-L435 VanDerWaalsContact CG-O 3.28Å; P337-L435 WeakPolarHBondContact CG-O 3.21Å; P337-T439 WeakPolarHBondContact CG-OG1 3.1Å; P337-F462 HydrophobicContact CG-CZ 4.48Å
338	I	95.1	Very high	92.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-39.3	172.8	-65	164.2	0	0	0	110.7	M334 S335 Y336 V357 T366 L422 Y427 L435 F462	M334-I338 WeakPolarHBondContact O-CD1 3.44Å; M334-I338 VanDerWaalsContact O-CG1 3.3Å; M334-I338 WeakPolarHBondContact O-CG1 3.31Å; S335-I338 PolarHBondContact O-N 3.35Å; Y336-I338 VanDerWaalsContact C-N 3.33Å; I338-V357 HydrophobicContact CG2-CG1 4.22Å; I338-T366 HydrophobicContact CD1-CG2 3.67Å; I338-L422 HydrophobicContact CD1-CD2 3.67Å; I338-L422 HydrophobicContact CG1-CD2 3.94Å; I338-L422 HydrophobicContact CG2-CD2 4.01Å; I338-Y427 HydrophobicContact CG2-CE2 3.9Å; I338-Y427 PolarHBondContact O-OH 3.23Å; I338-L435 HydrophobicContact CG1-CD2 4.22Å; I338-F462 HydrophobicContact CD1-CE1 3.91Å; I338-F462 HydrophobicContact CG1-CE1 3.97Å
339	A	91.9	Very high	91.7	Very high	9 Å²	9	32.2 Å²	32.2	7%	0.074	18%	0.178	C	C	.	.	H	α-helix	trans	-76.3	-42.4	175.6	0	0	0	0	0	111.7	K210 S335 Y336 P337 V342	K210-A339 HydrophobicContact CD-CB 4.21Å; K210-A339 VanDerWaalsContact CE-CB 3.49Å; S335-A339 WeakPolarHBondContact O-CB 3.48Å; S335-A339 PolarHBondContact O-N 2.89Å; Y336-A339 PolarHBondContact O-N 3.31Å; P337-A339 VanDerWaalsContact C-N 3.33Å; A339-V342 VanDerWaalsContact O-CG1 3.3Å; A339-V342 WeakPolarHBondContact O-CG1 3.46Å
340	G	87.7	Confident	91.2	Very high	21 Å²	21	34.7 Å²	34.7	22%	0.216	19%	0.188	C	C	.	.	H	α-helix	trans	-74.8	-26.5	-174	0	0	0	0	0	115.4	K208 Y336 P337	K208-G340 CarbonylContact O-C 3.53Å; K208-G340 WeakPolarHBondContact O-CA 3.45Å; Y336-G340 PolarHBondContact O-N 2.96Å; P337-G340 PolarHBondContact O-N 2.93Å
341	N	89.4	Confident	90.4	Very high	38 Å²	38	39.9 Å²	39.9	20%	0.203	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	18.4	177.8	-67.7	-25.2	0	0	0	113	K208 P337 K343 Y427	K208-N341 WeakPolarHBondContact CB-OD1 3.45Å; K208-N341 PolarHBondContact O-OD1 3.23Å; P337-N341 VanDerWaalsContact O-CB 3.23Å; P337-N341 WeakPolarHBondContact O-CB 3.31Å; P337-N341 PolarHBondContact O-N 2.93Å; N341-K343 PolarHBondContact O-N 3.49Å; N341-Y427 HydrophobicContact CB-CE1 4.35Å; N341-Y427 PolarHBondContact O-OH 3.48Å; N341-Y427 VanDerWaalsContact O-OH 3.13Å
342	V	91	Very high	89.8	Confident	33 Å²	33	41.9 Å²	41.9	20%	0.2	24%	0.236	C	C	.	.			trans	-59.8	133.7	178.5	62.5	0	0	0	0	110.4	A339 H345 P355 V357 Y427	A339-V342 VanDerWaalsContact O-CG1 3.3Å; A339-V342 WeakPolarHBondContact O-CG1 3.46Å; V342-H345 HydrophobicContact CG2-CB 4.14Å; V342-P355 HydrophobicContact CG1-CB 4.26Å; V342-P355 WeakPolarHBondContact CG1-O 3.46Å; V342-P355 HydrophobicContact CG2-CB 3.95Å; V342-V357 HydrophobicContact CB-CG2 4.1Å; V342-V357 HydrophobicContact CG2-CG2 3.72Å; V342-Y427 VanDerWaalsContact CA-OH 3.31Å; V342-Y427 WeakPolarHBondContact CA-OH 3.46Å; V342-Y427 PolarHBondContact N-OH 3.13Å; V342-Y427 VanDerWaalsContact N-OH 3.13Å
343	K	88.1	Confident	89.2	Confident	97 Å²	97	51.7 Å²	51.7	42%	0.422	28%	0.282	S	S	.	.			trans	-104.2	-51.3	-178.3	-54.1	175.8	-165.3	167.7	0	112.3	N341 P355 D431	N341-K343 PolarHBondContact O-N 3.49Å; K343-P355 WeakPolarHBondContact O-CG 3.38Å; K343-D431 WeakPolarHBondContact CE-OD1 3.2Å; K343-D431 WeakPolarHBondContact CE-OD2 3.28Å; K343-D431 IonicContact NZ-OD1 3.01Å; K343-D431 PolarHBondContact NZ-OD1 3.34Å; K343-D431 IonicContact NZ-OD2 4Å; K343-D431 PolarHBondContact NZ-OD2 2.84Å
344	T	89.3	Confident	88.7	Confident	100 Å²	100	54 Å²	54	61%	0.613	29%	0.293	S	S	*	.	S	Bend	trans	-138.5	-16	-163.6	54.2	0	0	0	0	114.5
345	H	90.9	Very high	88.4	Confident	24 Å²	24	56.4 Å²	56.4	11%	0.111	31%	0.309	C	S	.	.			trans	-68.7	138	-175.8	-175.4	74.5	0	0	0	111.5	V342 P355 L356 V357 E419 V425	V342-H345 HydrophobicContact CG2-CB 4.14Å; H345-P355 CarbonylContact O-C 3.55Å; H345-P355 VanDerWaalsContact O-CA 3.26Å; H345-P355 WeakPolarHBondContact O-CA 3.5Å; H345-L356 PolarHBondContact CD2-O 3.03Å; H345-L356 PolarHBondContact O-N 3.45Å; H345-V357 HydrophobicContact CB-CG2 4.13Å; H345-E419 IonicContact CE1-OE1 2.89Å; H345-V425 HydrophobicContact CB-CB 4.35Å; H345-V425 WeakPolarHBondContact CB-O 3.36Å
346	T	89.1	Confident	88.2	Confident	97 Å²	97	56.8 Å²	56.8	60%	0.595	31%	0.311	S	S	*	.	B	Isolated β-bridge	trans	-128.5	116.1	172.8	48	0	0	0	0	108.4
347	A	85.6	Confident	88.3	Confident	10 Å²	10	56.5 Å²	56.5	8%	0.083	31%	0.31	C	S	.	.			trans	-74.9	129.4	-178.2	0	0	0	0	0	111.5	Y350 P358	A347-Y350 HydrophobicContact CB-CD2 3.62Å; A347-Y350 HydrophobicContact CB-CE2 4.09Å; A347-Y350 HydrophobicContact CB-CG 4.29Å; A347-Y350 PolarHBondContact O-N 3.29Å; A347-P358 VanDerWaalsContact CB-CD 3.48Å; A347-P358 HydrophobicContact CB-CG 3.32Å
348	R	83.7	Confident	88.3	Confident	194 Å²	194	56.6 Å²	56.6	73%	0.732	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	140.5	176.1	-62.7	179.6	-174.5	178.6	3.1	110.3	R236 Y350	R236-R348 WeakPolarHBondContact CB-O 3.49Å; R236-R348 HydrophobicContact CG-CB 4.24Å; R348-Y350 VanDerWaalsContact C-N 3.28Å; R348-Y350 PolarHBondContact O-N 2.86Å
349	G	81.2	Confident	88.2	Confident	44 Å²	44	58.1 Å²	58.1	45%	0.454	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	2.4	178.8	0	0	0	0	0	115.1
350	Y	85.1	Confident	88.4	Confident	51 Å²	51	58 Å²	58	20%	0.2	32%	0.316	C	S	.	.			trans	-102.2	126	169.8	-71	-103.7	0	0	0	109.7	V237 N240 A347 R348 V352 L356 P358	V237-Y350 HydrophobicContact CG2-CD2 4.25Å; V237-Y350 HydrophobicContact CG2-CE1 4.17Å; V237-Y350 HydrophobicContact CG2-CE2 3.86Å; N240-Y350 WeakPolarHBondContact CB-OH 3.46Å; N240-Y350 WeakPolarHBondContact ND2-CE2 3.3Å; N240-Y350 PolarHBondContact ND2-OH 3.3Å; A347-Y350 HydrophobicContact CB-CD2 3.62Å; A347-Y350 HydrophobicContact CB-CE2 4.09Å; A347-Y350 HydrophobicContact CB-CG 4.29Å; A347-Y350 PolarHBondContact O-N 3.29Å; R348-Y350 VanDerWaalsContact C-N 3.28Å; R348-Y350 PolarHBondContact O-N 2.86Å; Y350-V352 PolarHBondContact O-N 3.32Å; Y350-L356 HydrophobicContact CD1-CD2 3.81Å; Y350-L356 HydrophobicContact CE1-CD2 4.46Å; Y350-L356 HydrophobicContact CG-CD2 4.14Å; Y350-P358 HydrophobicContact CD1-CG 4.5Å; Y350-P358 HydrophobicContact CD2-CG 4.06Å; Y350-P358 HydrophobicContact CE1-CB 4.13Å; Y350-P358 HydrophobicContact CE1-CG 4.07Å; Y350-P358 HydrophobicContact CE2-CB 4.17Å; Y350-P358 HydrophobicContact CE2-CG 3.6Å; Y350-P358 HydrophobicContact CG-CG 4.49Å; Y350-P358 WeakPolarHBondContact OH-CB 3.27Å
351	S	82	Confident	88.9	Confident	110 Å²	110	57 Å²	57	77%	0.769	31%	0.306	S	S	*	.			trans	-91.6	74.6	177.7	-60.9	0	0	0	0	110.3
352	V	83.6	Confident	89.2	Confident	41 Å²	41	55.2 Å²	55.2	25%	0.248	30%	0.297	C	S	.	.			trans	-130.1	146.7	-179.6	-62.7	0	0	0	0	111.7	V114 Y350 H354 L356	V114-V352 HydrophobicContact CB-CG1 4.2Å; V114-V352 HydrophobicContact CG1-CG1 4.49Å; V114-V352 HydrophobicContact CG2-CG1 4.49Å; Y350-V352 PolarHBondContact O-N 3.32Å; V352-H354 VanDerWaalsContact C-N 3.34Å; V352-L356 HydrophobicContact CG1-CD2 4.44Å; V352-L356 HydrophobicContact CG2-CB 4.17Å; V352-L356 HydrophobicContact CG2-CD2 3.9Å
353	E	83.9	Confident	89.5	Confident	210 Å²	210	53.6 Å²	53.6	98%	0.981	29%	0.287	S	S	*	.	S	Bend	trans	-90	8.2	-177.6	-62.2	-178.1	171.5	0	0	113.9
354	H	85.3	Confident	90	Very high	48 Å²	48	49 Å²	49	22%	0.222	27%	0.267	C	S	.	.	S	Bend	trans	-132.4	157	-175	59.3	-80.5	0	0	0	111.9	R113 V352 L356	R113-H354 PolarHBondContact NH2-CD2 3.13Å; R113-H354 VanDerWaalsContact NH2-CD2 3.31Å; R113-H354 PolarHBondContact NH2-CE1 2.98Å; R113-H354 VanDerWaalsContact NH2-CG 3.32Å; R113-H354 PolarHBondContact NH2-ND1 3.27Å; R113-H354 PolarHBondContact NH2-NE2 2.98Å; R113-H354 VanDerWaalsContact NH2-NE2 3.18Å; V352-H354 VanDerWaalsContact C-N 3.34Å; H354-L356 PolarHBondContact O-N 2.9Å
355	P	90.5	Very high	90.4	Very high	52 Å²	52	44.2 Å²	44.2	34%	0.338	24%	0.238	S	C	.	.			trans	-56.3	136.6	170.7	-23.4	33.9	0	0	0	111.1	V342 K343 H345	V342-P355 HydrophobicContact CG1-CB 4.26Å; V342-P355 WeakPolarHBondContact CG1-O 3.46Å; V342-P355 HydrophobicContact CG2-CB 3.95Å; K343-P355 WeakPolarHBondContact O-CG 3.38Å; H345-P355 CarbonylContact O-C 3.55Å; H345-P355 VanDerWaalsContact O-CA 3.26Å; H345-P355 WeakPolarHBondContact O-CA 3.5Å
356	L	92.4	Very high	90.7	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.042	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-151.3	122.7	-173.5	172.3	64.5	0	0	0	110	E115 H345 Y350 V352 H354 P358	E115-L356 HydrophobicContact CB-CD1 4.46Å; E115-L356 HydrophobicContact CG-CD1 3.58Å; H345-L356 PolarHBondContact CD2-O 3.03Å; H345-L356 PolarHBondContact O-N 3.45Å; Y350-L356 HydrophobicContact CD1-CD2 3.81Å; Y350-L356 HydrophobicContact CE1-CD2 4.46Å; Y350-L356 HydrophobicContact CG-CD2 4.14Å; V352-L356 HydrophobicContact CG1-CD2 4.44Å; V352-L356 HydrophobicContact CG2-CB 4.17Å; V352-L356 HydrophobicContact CG2-CD2 3.9Å; H354-L356 PolarHBondContact O-N 2.9Å; L356-P358 HydrophobicContact CD2-CG 4.33Å; L356-P358 HydrophobicContact CG-CG 4.24Å
357	V	94.6	Very high	91.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.			trans	-98.2	109.5	155.6	-176.1	0	0	0	0	107.1	I338 V342 H345 L361 V425	I338-V357 HydrophobicContact CG2-CG1 4.22Å; V342-V357 HydrophobicContact CB-CG2 4.1Å; V342-V357 HydrophobicContact CG2-CG2 3.72Å; H345-V357 HydrophobicContact CB-CG2 4.13Å; V357-L361 HydrophobicContact CG1-CB 4.35Å; V357-L361 HydrophobicContact CG1-CD2 4.15Å; V357-L361 HydrophobicContact CG1-CG 4.16Å; V357-V425 HydrophobicContact CG2-CB 4.31Å
358	P	93.7	Very high	91.8	Very high	2 Å²	2	38 Å²	38	1%	0.013	20%	0.2	C	C	.	.			trans	-58.4	143.8	-179.2	-26.5	36	0	0	0	111.7	N240 A347 Y350 L356 G360 L361 S362	N240-P358 HydrophobicContact CB-CB 4.32Å; N240-P358 WeakPolarHBondContact ND2-CG 3.49Å; A347-P358 VanDerWaalsContact CB-CD 3.48Å; A347-P358 HydrophobicContact CB-CG 3.32Å; Y350-P358 HydrophobicContact CD1-CG 4.5Å; Y350-P358 HydrophobicContact CD2-CG 4.06Å; Y350-P358 HydrophobicContact CE1-CB 4.13Å; Y350-P358 HydrophobicContact CE1-CG 4.07Å; Y350-P358 HydrophobicContact CE2-CB 4.17Å; Y350-P358 HydrophobicContact CE2-CG 3.6Å; Y350-P358 HydrophobicContact CG-CG 4.49Å; Y350-P358 WeakPolarHBondContact OH-CB 3.27Å; L356-P358 HydrophobicContact CD2-CG 4.33Å; L356-P358 HydrophobicContact CG-CG 4.24Å; P358-G360 PolarHBondContact O-N 2.71Å; P358-L361 WeakPolarHBondContact O-CA 3.43Å; P358-L361 WeakPolarHBondContact O-CB 3.41Å; P358-L361 PolarHBondContact O-N 3.39Å; P358-S362 PolarHBondContact O-N 3.48Å
359	H	94.1	Very high	92.5	Very high	32 Å²	32	29.1 Å²	29.1	15%	0.148	17%	0.168	C	C	.	.	H	α-helix	trans	-50.4	-51.4	-173.9	-173.6	38.4	0	0	0	114.4	E115 D244 H332 S335 Y336 L361 S362 V363	E115-H359 PolarHBondContact OE1-N 3.02Å; D244-H359 IonicContact OD1-CD2 3.33Å; D244-H359 IonicContact OD1-NE2 2.7Å; H332-H359 AromaticContact CD2-CE1 3.86Å; H332-H359 AromaticContact CD2-NE2 3.57Å; H332-H359 AromaticContact NE2-NE2 3.8Å; S335-H359 PolarHBondContact OG-CE1 2.69Å; S335-H359 VanDerWaalsContact OG-CE1 3.31Å; Y336-H359 AromaticContact CE1-CE1 3.82Å; H359-L361 PolarHBondContact O-N 2.89Å; H359-S362 PolarHBondContact O-N 3.2Å; H359-S362 PolarHBondContact O-OG 3.22Å; H359-V363 WeakPolarHBondContact CE1-CG2 3.44Å; H359-V363 VanDerWaalsContact O-CG2 3.26Å; H359-V363 WeakPolarHBondContact O-CG2 3.26Å; H359-V363 PolarHBondContact O-N 2.91Å
360	G	95.7	Very high	93.3	Very high	5 Å²	5	27 Å²	27	5%	0.052	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-30.8	-179.1	0	0	0	0	0	113.9	N240 P358 V364	N240-G360 WeakPolarHBondContact O-CA 3.26Å; P358-G360 PolarHBondContact O-N 2.71Å; G360-V364 WeakPolarHBondContact O-CB 3.42Å; G360-V364 WeakPolarHBondContact O-CG1 3.36Å; G360-V364 PolarHBondContact O-N 2.7Å; G360-V364 VanDerWaalsContact O-N 3.16Å
361	L	96.9	Very high	94	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-69	-48.2	171.5	179.6	59.7	0	0	0	110.5	V357 P358 H359 V363 V364 L365 V418 E419 V425	V357-L361 HydrophobicContact CG1-CB 4.35Å; V357-L361 HydrophobicContact CG1-CD2 4.15Å; V357-L361 HydrophobicContact CG1-CG 4.16Å; P358-L361 WeakPolarHBondContact O-CA 3.43Å; P358-L361 WeakPolarHBondContact O-CB 3.41Å; P358-L361 PolarHBondContact O-N 3.39Å; H359-L361 PolarHBondContact O-N 2.89Å; L361-V363 PolarHBondContact O-N 3.17Å; L361-V364 HydrophobicContact CD1-CG1 4.46Å; L361-V364 PolarHBondContact O-N 3.29Å; L361-L365 HydrophobicContact CD1-CD1 4.16Å; L361-L365 HydrophobicContact CD1-CD2 4.05Å; L361-L365 HydrophobicContact CD1-CG 3.95Å; L361-L365 HydrophobicContact CG-CD1 4.1Å; L361-L365 HydrophobicContact CG-CG 4.34Å; L361-L365 VanDerWaalsContact O-CG 3.25Å; L361-L365 WeakPolarHBondContact O-CG 3.5Å; L361-L365 PolarHBondContact O-N 3.48Å; L361-V418 HydrophobicContact CD1-CG1 3.66Å; L361-E419 WeakPolarHBondContact CD1-OE2 3.39Å; L361-E419 WeakPolarHBondContact CD2-OE2 3.46Å; L361-V425 HydrophobicContact CD2-CG1 4.12Å
362	S	96.4	Very high	94.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.7	-31	-179.6	68.5	0	0	0	0	113.3	S335 P358 H359	S335-S362 WeakPolarHBondContact CB-OG 3.31Å; S335-S362 PolarHBondContact O-OG 3.21Å; P358-S362 PolarHBondContact O-N 3.48Å; H359-S362 PolarHBondContact O-N 3.2Å; H359-S362 PolarHBondContact O-OG 3.22Å
363	V	97.4	Very high	95.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-70.3	-49.9	174.5	179.6	0	0	0	0	110.9	C247 C331 S335 H359 L361 L365 T366	C247-V363 HydrophobicContact CB-CG1 3.38Å; C331-V363 HydrophobicContact CB-CG1 3.76Å; S335-V363 VanDerWaalsContact CB-CG2 3.45Å; S335-V363 WeakPolarHBondContact OG-CG2 3.47Å; H359-V363 WeakPolarHBondContact CE1-CG2 3.44Å; H359-V363 VanDerWaalsContact O-CG2 3.26Å; H359-V363 WeakPolarHBondContact O-CG2 3.26Å; H359-V363 PolarHBondContact O-N 2.91Å; L361-V363 PolarHBondContact O-N 3.17Å; V363-L365 PolarHBondContact O-N 3.46Å; V363-T366 PolarHBondContact O-OG1 2.85Å
364	V	98.1	Very high	96.1	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-75.1	-26	-168.3	82.9	0	0	0	0	114	F243 G360 L361 T366 A367 L413	F243-V364 HydrophobicContact CB-CB 3.91Å; F243-V364 HydrophobicContact CB-CG1 4.04Å; F243-V364 HydrophobicContact CB-CG2 4.11Å; F243-V364 HydrophobicContact CD1-CG1 4.41Å; F243-V364 HydrophobicContact CD1-CG2 4.1Å; F243-V364 HydrophobicContact CD2-CG1 4.05Å; F243-V364 HydrophobicContact CG-CB 4.22Å; F243-V364 HydrophobicContact CG-CG1 3.92Å; F243-V364 HydrophobicContact CG-CG2 4.22Å; G360-V364 WeakPolarHBondContact O-CB 3.42Å; G360-V364 WeakPolarHBondContact O-CG1 3.36Å; G360-V364 PolarHBondContact O-N 2.7Å; G360-V364 VanDerWaalsContact O-N 3.16Å; L361-V364 HydrophobicContact CD1-CG1 4.46Å; L361-V364 PolarHBondContact O-N 3.29Å; V364-T366 PolarHBondContact O-N 3.22Å; V364-T366 VanDerWaalsContact O-N 3.16Å; V364-A367 HydrophobicContact CG2-CB 4.42Å; V364-A367 WeakPolarHBondContact O-CB 3.21Å; V364-A367 PolarHBondContact O-N 2.95Å; V364-L413 HydrophobicContact CB-CD2 4.29Å; V364-L413 HydrophobicContact CG1-CD2 3.93Å; V364-L413 HydrophobicContact CG2-CD1 4.19Å; V364-L413 HydrophobicContact CG2-CD2 3.37Å; V364-L413 HydrophobicContact CG2-CG 4.34Å
365	L	98.2	Very high	96.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.2	179.2	-72.6	173.1	0	0	0	113.1	L361 V363 V418 L422 V425 L468	L361-L365 HydrophobicContact CD1-CD1 4.16Å; L361-L365 HydrophobicContact CD1-CD2 4.05Å; L361-L365 HydrophobicContact CD1-CG 3.95Å; L361-L365 HydrophobicContact CG-CD1 4.1Å; L361-L365 HydrophobicContact CG-CG 4.34Å; L361-L365 VanDerWaalsContact O-CG 3.25Å; L361-L365 WeakPolarHBondContact O-CG 3.5Å; L361-L365 PolarHBondContact O-N 3.48Å; V363-L365 PolarHBondContact O-N 3.46Å; L365-V418 HydrophobicContact CD2-CG1 4.06Å; L365-L422 HydrophobicContact CB-CD2 4.26Å; L365-L422 HydrophobicContact CD1-CD2 4.03Å; L365-V425 HydrophobicContact CD1-CG1 4.11Å; L365-V425 HydrophobicContact CD1-CG2 3.87Å; L365-L468 HydrophobicContact CD2-CD1 3.88Å
366	T	98.3	Very high	97.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-10.7	178.7	62.1	0	0	0	0	113.5	M334 I338 V363 V364 A369 V370	M334-T366 HydrophobicContact CB-CG2 4.25Å; M334-T366 HydrophobicContact CE-CG2 3.97Å; I338-T366 HydrophobicContact CD1-CG2 3.67Å; V363-T366 PolarHBondContact O-OG1 2.85Å; V364-T366 PolarHBondContact O-N 3.22Å; V364-T366 VanDerWaalsContact O-N 3.16Å; T366-A369 PolarHBondContact O-N 2.92Å; T366-V370 WeakPolarHBondContact O-CG2 3.32Å; T366-V370 PolarHBondContact O-N 2.97Å
367	A	98.4	Very high	97.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58.5	-46.1	-170.1	0	0	0	0	0	113.7	V364 A369 V370 F371 L409	V364-A367 HydrophobicContact CG2-CB 4.42Å; V364-A367 WeakPolarHBondContact O-CB 3.21Å; V364-A367 PolarHBondContact O-N 2.95Å; A367-A369 VanDerWaalsContact C-N 3.32Å; A367-A369 PolarHBondContact O-N 3.49Å; A367-V370 PolarHBondContact O-N 3.36Å; A367-F371 HydrophobicContact CB-CD2 4.06Å; A367-F371 HydrophobicContact CB-CE2 3.88Å; A367-F371 WeakPolarHBondContact O-CD2 3.41Å; A367-F371 PolarHBondContact O-N 3.37Å; A367-L409 HydrophobicContact CB-CD1 4.27Å
368	P	98.6	Very high	97.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.5	-40.1	178.7	-26.4	37.4	0	0	0	113.5	S372 A406 L409 R410 L413 L468	P368-S372 WeakPolarHBondContact O-CB 3.1Å; P368-S372 PolarHBondContact O-N 3.35Å; P368-S372 VanDerWaalsContact O-N 3.17Å; P368-S372 PolarHBondContact O-OG 2.86Å; P368-A406 HydrophobicContact CB-CB 4.03Å; P368-A406 WeakPolarHBondContact O-CB 3.48Å; P368-L409 HydrophobicContact CG-CB 4.15Å; P368-R410 HydrophobicContact CB-CG 4.22Å; P368-R410 HydrophobicContact CG-CG 4.15Å; P368-L413 HydrophobicContact CG-CD1 4.28Å; P368-L468 HydrophobicContact CG-CD2 4.01Å
369	A	98.6	Very high	97.5	Very high	7 Å²	7	16.4 Å²	16.4	6%	0.058	10%	0.097	C	C	.	.	H	α-helix	trans	-69.5	-45.2	177.7	0	0	0	0	0	111.3	T366 A367 S372 F373 L461 T464	T366-A369 PolarHBondContact O-N 2.92Å; A367-A369 VanDerWaalsContact C-N 3.32Å; A367-A369 PolarHBondContact O-N 3.49Å; A369-S372 WeakPolarHBondContact O-CB 3.44Å; A369-S372 PolarHBondContact O-N 2.92Å; A369-F373 PolarHBondContact O-N 3.45Å; A369-L461 HydrophobicContact CB-CD2 3.92Å; A369-L461 WeakPolarHBondContact O-CD2 3.24Å; A369-T464 HydrophobicContact CB-CG2 3.95Å
370	V	98.6	Very high	97.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.7	-50.1	178.8	168.1	0	0	0	0	111.3	L330 C331 M334 T366 A367 S372 F373 T374 L461	L330-V370 HydrophobicContact CB-CG1 3.71Å; L330-V370 HydrophobicContact CB-CG2 3.93Å; L330-V370 HydrophobicContact CD1-CG1 4.37Å; C331-V370 VanDerWaalsContact SG-CG1 3.51Å; M334-V370 HydrophobicContact SD-CG2 3.89Å; T366-V370 WeakPolarHBondContact O-CG2 3.32Å; T366-V370 PolarHBondContact O-N 2.97Å; A367-V370 PolarHBondContact O-N 3.36Å; V370-S372 VanDerWaalsContact C-N 3.29Å; V370-S372 PolarHBondContact O-N 3.08Å; V370-F373 CarbonylContact O-C 3.6Å; V370-F373 WeakPolarHBondContact O-CA 3.26Å; V370-F373 WeakPolarHBondContact O-CB 3.48Å; V370-F373 PolarHBondContact O-N 2.74Å; V370-T374 HydrophobicContact CG1-CG2 4.3Å; V370-T374 PolarHBondContact O-N 3.07Å; V370-T374 PolarHBondContact O-OG1 3.47Å; V370-L461 HydrophobicContact CG2-CD1 4.41Å
371	F	98.4	Very high	97.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68.7	-28.9	-178.6	-70.3	-60.7	0	0	0	112.8	L250 E251 T254 H329 A367 F373 T374 A375 H382 L405 L409	L250-F371 HydrophobicContact CB-CE1 3.85Å; L250-F371 HydrophobicContact CB-CE2 3.91Å; L250-F371 HydrophobicContact CB-CZ 3.28Å; L250-F371 HydrophobicContact CD1-CD2 4.31Å; L250-F371 HydrophobicContact CD1-CE2 3.64Å; L250-F371 HydrophobicContact CD1-CZ 3.95Å; L250-F371 HydrophobicContact CG-CE2 4.39Å; L250-F371 HydrophobicContact CG-CZ 4.2Å; E251-F371 HydrophobicContact CG-CE1 4.36Å; E251-F371 HydrophobicContact CG-CZ 3.81Å; T254-F371 WeakPolarHBondContact OG1-CE1 3.27Å; H329-F371 AromaticContact CE1-CE1 3.85Å; A367-F371 HydrophobicContact CB-CD2 4.06Å; A367-F371 HydrophobicContact CB-CE2 3.88Å; A367-F371 WeakPolarHBondContact O-CD2 3.41Å; A367-F371 PolarHBondContact O-N 3.37Å; F371-F373 VanDerWaalsContact C-N 3.32Å; F371-T374 WeakPolarHBondContact CA-OG1 3.44Å; F371-A375 VanDerWaalsContact O-CB 3.27Å; F371-A375 WeakPolarHBondContact O-CB 3.39Å; F371-A375 PolarHBondContact O-N 2.91Å; F371-A375 VanDerWaalsContact O-N 3.08Å; F371-H382 AromaticContact CD1-NE2 3.8Å; F371-H382 PolarHBondContact O-CD2 2.78Å; F371-H382 PolarHBondContact O-NE2 2.98Å; F371-L405 HydrophobicContact CB-CD2 3.94Å; F371-L405 HydrophobicContact CB-CG 4.31Å; F371-L405 HydrophobicContact CD1-CD2 4.15Å; F371-L405 HydrophobicContact CG-CD2 3.96Å; F371-L409 HydrophobicContact CD2-CD1 3.48Å; F371-L409 VanDerWaalsContact CD2-CD1 3.48Å; F371-L409 HydrophobicContact CE2-CD1 4.08Å; F371-L409 HydrophobicContact CG-CD1 4.4Å
372	S	98.3	Very high	97.9	Very high	46 Å²	46	21.4 Å²	21.4	32%	0.322	12%	0.117	S	C	.	.	H	α-helix	trans	-62.5	-41.4	168.3	-61.7	0	0	0	0	111.7	P368 A369 V370 A406	P368-S372 WeakPolarHBondContact O-CB 3.1Å; P368-S372 PolarHBondContact O-N 3.35Å; P368-S372 VanDerWaalsContact O-N 3.17Å; P368-S372 PolarHBondContact O-OG 2.86Å; A369-S372 WeakPolarHBondContact O-CB 3.44Å; A369-S372 PolarHBondContact O-N 2.92Å; V370-S372 VanDerWaalsContact C-N 3.29Å; V370-S372 PolarHBondContact O-N 3.08Å; S372-A406 VanDerWaalsContact OG-CB 3.25Å; S372-A406 WeakPolarHBondContact OG-CB 3.46Å
373	F	98.5	Very high	98	Very high	22 Å²	22	22.5 Å²	22.5	10%	0.096	12%	0.122	C	C	.	.	H	α-helix	trans	-71.5	-39.4	179.7	172.8	-99.9	0	0	0	113.1	L330 A369 V370 F371 P376 R451 H453 D457 L461	L330-F373 HydrophobicContact CD1-CD1 3.93Å; L330-F373 HydrophobicContact CD1-CE1 3.94Å; A369-F373 PolarHBondContact O-N 3.45Å; V370-F373 CarbonylContact O-C 3.6Å; V370-F373 WeakPolarHBondContact O-CA 3.26Å; V370-F373 WeakPolarHBondContact O-CB 3.48Å; V370-F373 PolarHBondContact O-N 2.74Å; F371-F373 VanDerWaalsContact C-N 3.32Å; F373-P376 WeakPolarHBondContact O-CD 3.46Å; F373-R451 HydrophobicContact CD1-CB 4.42Å; F373-R451 HydrophobicContact CD1-CG 4.5Å; F373-R451 HydrophobicContact CE1-CB 3.9Å; F373-R451 HydrophobicContact CE1-CG 3.8Å; F373-R451 VanDerWaalsContact CE2-NE 3.33Å; F373-R451 HydrophobicContact CZ-CB 4.44Å; F373-R451 HydrophobicContact CZ-CG 3.84Å; F373-R451 WeakPolarHBondContact O-CD 3.29Å; F373-R451 PolarHBondContact O-NH1 3.4Å; F373-H453 HydrophobicContact CE1-CB 4.22Å; F373-H453 HydrophobicContact CZ-CB 4.1Å; F373-D457 HydrophobicContact CE2-CB 4.04Å; F373-D457 HydrophobicContact CZ-CB 4.07Å; F373-L461 HydrophobicContact CB-CD2 3.79Å; F373-L461 HydrophobicContact CD1-CD1 4.4Å; F373-L461 HydrophobicContact CG-CD2 4.29Å
374	T	98.1	Very high	98	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-83.5	-21.7	-176.6	54.6	0	0	0	0	114.2	L330 V370 F371 P376 M377 H382 P450	L330-T374 HydrophobicContact CD1-CG2 4.36Å; V370-T374 HydrophobicContact CG1-CG2 4.3Å; V370-T374 PolarHBondContact O-N 3.07Å; V370-T374 PolarHBondContact O-OG1 3.47Å; F371-T374 WeakPolarHBondContact CA-OG1 3.44Å; T374-P376 VanDerWaalsContact C-N 3.35Å; T374-P376 VanDerWaalsContact O-N 3.16Å; T374-M377 WeakPolarHBondContact O-CB 3.3Å; T374-M377 PolarHBondContact O-N 3.16Å; T374-H382 PolarHBondContact OG1-NE2 3.38Å; T374-P450 HydrophobicContact CG2-CG 3.97Å
375	A	97.8	Very high	98	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.033	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-49.9	-39.9	-175.3	0	0	0	0	0	116.3	F371 M377 C378 P379 H382 A401 G402	F371-A375 VanDerWaalsContact O-CB 3.27Å; F371-A375 WeakPolarHBondContact O-CB 3.39Å; F371-A375 PolarHBondContact O-N 2.91Å; F371-A375 VanDerWaalsContact O-N 3.08Å; A375-M377 PolarHBondContact O-N 2.92Å; A375-C378 CarbonylContact O-C 3.49Å; A375-C378 PolarHBondContact O-N 3.45Å; A375-P379 VanDerWaalsContact O-CA 3.3Å; A375-P379 WeakPolarHBondContact O-CA 3.44Å; A375-P379 VanDerWaalsContact O-CD 3.31Å; A375-P379 WeakPolarHBondContact O-CD 3.42Å; A375-H382 WeakPolarHBondContact CA-NE2 3.41Å; A375-H382 HydrophobicContact CB-CB 4.44Å; A375-H382 PolarHBondContact N-NE2 2.97Å; A375-A401 HydrophobicContact CB-CB 4.43Å; A375-G402 VanDerWaalsContact CB-N 3.32Å
376	P	97.4	Very high	98.1	Very high	91 Å²	91	25.3 Å²	25.3	59%	0.591	14%	0.135	S	C	*	.	G	3₁₀ helix	trans	-58.4	-20.1	179	-26.7	36.6	0	0	0	114.7	F373 T374	F373-P376 WeakPolarHBondContact O-CD 3.46Å; T374-P376 VanDerWaalsContact C-N 3.35Å; T374-P376 VanDerWaalsContact O-N 3.16Å
377	M	96.7	Very high	98.1	Very high	101 Å²	101	30.4 Å²	30.4	50%	0.498	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-83.1	-28.3	-178.8	-60.3	-53.6	-55.9	0	0	113.6	T374 A375 P450 R451	T374-M377 WeakPolarHBondContact O-CB 3.3Å; T374-M377 PolarHBondContact O-N 3.16Å; A375-M377 PolarHBondContact O-N 2.92Å; M377-P450 HydrophobicContact CB-CB 3.87Å; M377-P450 HydrophobicContact CB-CG 4.32Å; M377-P450 WeakPolarHBondContact CE-O 3.44Å; M377-P450 HydrophobicContact CG-CB 4.31Å; M377-P450 WeakPolarHBondContact CG-O 3.27Å; M377-R451 HydrophobicContact CG-CB 3.7Å; M377-R451 HydrophobicContact CG-CG 4.21Å; M377-R451 HydrophobicContact SD-CG 4.5Å
378	C	96.1	Very high	98.1	Very high	18 Å²	18	32.1 Å²	32.1	12%	0.122	17%	0.168	C	C	.	.	S	Bend	trans	-152.6	63.7	179.3	55.3	0	0	0	0	111.1	A375 E380 R381 H382	A375-C378 CarbonylContact O-C 3.49Å; A375-C378 PolarHBondContact O-N 3.45Å; C378-E380 PolarHBondContact O-N 3.32Å; C378-R381 HydrophobicContact CB-CB 4.25Å; C378-R381 HydrophobicContact CB-CG 4.35Å; C378-R381 PolarHBondContact O-N 2.78Å; C378-R381 VanDerWaalsContact O-N 3.13Å; C378-H382 PolarHBondContact O-N 2.74Å; C378-H382 PolarHBondContact O-ND1 3.17Å; C378-H382 PolarHBondContact SG-CE1 2.73Å; C378-H382 PolarHBondContact SG-ND1 3.36Å; C378-H382 VanDerWaalsContact SG-ND1 3.44Å
379	P	97.7	Very high	98	Very high	18 Å²	18	32.9 Å²	32.9	12%	0.117	17%	0.172	C	C	.	.	H	α-helix	trans	-63.2	-28.7	-171.5	24.1	-32.7	0	0	0	112.7	A375 H382 L383 R398 A401	A375-P379 VanDerWaalsContact O-CA 3.3Å; A375-P379 WeakPolarHBondContact O-CA 3.44Å; A375-P379 VanDerWaalsContact O-CD 3.31Å; A375-P379 WeakPolarHBondContact O-CD 3.42Å; P379-H382 PolarHBondContact O-N 2.86Å; P379-L383 WeakPolarHBondContact O-CG 3.46Å; P379-L383 PolarHBondContact O-N 3.47Å; P379-R398 HydrophobicContact CB-CB 4.07Å; P379-R398 HydrophobicContact CB-CG 4.38Å; P379-R398 WeakPolarHBondContact CB-O 3.23Å; P379-R398 HydrophobicContact CG-CB 4.16Å; P379-R398 HydrophobicContact CG-CG 4.29Å; P379-A401 HydrophobicContact CB-CB 3.75Å; P379-A401 WeakPolarHBondContact O-CB 3.27Å
380	E	97.6	Very high	97.9	Very high	81 Å²	81	35.7 Å²	35.7	38%	0.379	20%	0.201	S	C	.	.	H	α-helix	trans	-66.5	-43.5	177.3	-50.7	72.2	-159	0	0	111	C378 H382 L383 E384 R398	C378-E380 PolarHBondContact O-N 3.32Å; E380-H382 VanDerWaalsContact C-N 3.29Å; E380-H382 PolarHBondContact O-N 2.95Å; E380-L383 PolarHBondContact O-N 3.44Å; E380-E384 WeakPolarHBondContact O-CB 3.46Å; E380-E384 PolarHBondContact O-N 2.81Å; E380-R398 IonicContact OE1-CZ 3.88Å; E380-R398 IonicContact OE1-NE 2.99Å; E380-R398 PolarHBondContact OE1-NE 3.15Å; E380-R398 IonicContact OE1-NH1 2.69Å; E380-R398 IonicContact OE1-NH2 2.74Å; E380-R398 PolarHBondContact OE1-NH2 3.32Å
381	R	98	Very high	97.8	Very high	62 Å²	62	36.5 Å²	36.5	23%	0.234	21%	0.208	C	C	.	.	H	α-helix	trans	-65.7	-35.9	177.3	-67.2	-165.7	175.2	-139.9	-11	111.4	Y253 T254 D282 C378 A385	Y253-R381 HydrophobicContact CD1-CB 4.04Å; Y253-R381 HydrophobicContact CD1-CG 4.49Å; Y253-R381 HydrophobicContact CE1-CB 3.65Å; Y253-R381 HydrophobicContact CE1-CG 3.88Å; Y253-R381 WeakPolarHBondContact O-CD 3.21Å; Y253-R381 PolarHBondContact O-NH1 3.28Å; T254-R381 HydrophobicContact CG2-CB 4.39Å; D282-R381 VanDerWaalsContact CG-NH1 3.32Å; D282-R381 IonicContact OD1-CZ 3.81Å; D282-R381 IonicContact OD1-NH1 3.48Å; D282-R381 PolarHBondContact OD1-NH1 2.9Å; D282-R381 IonicContact OD1-NH2 3.99Å; D282-R381 IonicContact OD2-CZ 2.63Å; D282-R381 IonicContact OD2-NH1 3.1Å; D282-R381 PolarHBondContact OD2-NH1 3.23Å; D282-R381 VanDerWaalsContact OD2-NH1 3.12Å; D282-R381 IonicContact OD2-NH2 3.95Å; D282-R381 PolarHBondContact OD2-NH2 3.35Å; C378-R381 HydrophobicContact CB-CB 4.25Å; C378-R381 HydrophobicContact CB-CG 4.35Å; C378-R381 PolarHBondContact O-N 2.78Å; C378-R381 VanDerWaalsContact O-N 3.13Å; R381-A385 VanDerWaalsContact O-CB 3.29Å; R381-A385 WeakPolarHBondContact O-CB 3.49Å; R381-A385 PolarHBondContact O-N 3.35Å
382	H	98.5	Very high	97.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68	-41.3	175.7	-73.2	66.1	0	0	0	111.8	F371 T374 A375 C378 P379 E380 A385 A386 A401 L405	F371-H382 AromaticContact CD1-NE2 3.8Å; F371-H382 PolarHBondContact O-CD2 2.78Å; F371-H382 PolarHBondContact O-NE2 2.98Å; T374-H382 PolarHBondContact OG1-NE2 3.38Å; A375-H382 WeakPolarHBondContact CA-NE2 3.41Å; A375-H382 HydrophobicContact CB-CB 4.44Å; A375-H382 PolarHBondContact N-NE2 2.97Å; C378-H382 PolarHBondContact O-N 2.74Å; C378-H382 PolarHBondContact O-ND1 3.17Å; C378-H382 PolarHBondContact SG-CE1 2.73Å; C378-H382 PolarHBondContact SG-ND1 3.36Å; C378-H382 VanDerWaalsContact SG-ND1 3.44Å; P379-H382 PolarHBondContact O-N 2.86Å; E380-H382 VanDerWaalsContact C-N 3.29Å; E380-H382 PolarHBondContact O-N 2.95Å; H382-A385 PolarHBondContact O-N 3.5Å; H382-A386 WeakPolarHBondContact O-CB 3.47Å; H382-A386 PolarHBondContact O-N 3.28Å; H382-A401 HydrophobicContact CB-CB 4.14Å; H382-L405 HydrophobicContact CB-CD2 4.13Å
383	L	98.6	Very high	97.6	Very high	23 Å²	23	40 Å²	40	12%	0.12	22%	0.224	C	C	.	.	H	α-helix	trans	-67.1	-43.9	175.4	-71.1	172.8	0	0	0	112.2	P379 E380 A385 A386 E387 V393 V396 A401	P379-L383 WeakPolarHBondContact O-CG 3.46Å; P379-L383 PolarHBondContact O-N 3.47Å; E380-L383 PolarHBondContact O-N 3.44Å; L383-A385 VanDerWaalsContact C-N 3.33Å; L383-A385 PolarHBondContact O-N 2.82Å; L383-A386 PolarHBondContact O-N 2.75Å; L383-E387 WeakPolarHBondContact O-CB 3.19Å; L383-E387 PolarHBondContact O-N 3.02Å; L383-V393 HydrophobicContact CB-CG1 4.46Å; L383-V393 HydrophobicContact CD2-CB 4.34Å; L383-V393 HydrophobicContact CD2-CG1 4.07Å; L383-V396 HydrophobicContact CD2-CB 4.12Å; L383-V396 HydrophobicContact CD2-CG1 3.55Å; L383-A401 HydrophobicContact CD1-CB 4.29Å; L383-A401 HydrophobicContact CD2-CB 3.95Å; L383-A401 HydrophobicContact CG-CB 3.71Å
384	E	98.4	Very high	97.4	Very high	59 Å²	59	48 Å²	48	28%	0.276	25%	0.254	S	S	.	.	H	α-helix	trans	-61.1	-42.8	175.2	-176.7	-178.2	179.8	0	0	111	Y253 R286 E380 A386 E387 I388	Y253-E384 VanDerWaalsContact OH-CD 3.32Å; Y253-E384 PolarHBondContact OH-OE2 2.89Å; R286-E384 WeakPolarHBondContact CD-OE1 3.31Å; R286-E384 IonicContact NH1-OE1 2.65Å; R286-E384 PolarHBondContact NH1-OE1 3.39Å; E380-E384 WeakPolarHBondContact O-CB 3.46Å; E380-E384 PolarHBondContact O-N 2.81Å; E384-A386 PolarHBondContact O-N 3.04Å; E384-E387 PolarHBondContact O-N 3.17Å; E384-I388 HydrophobicContact CG-CD1 4.12Å; E384-I388 VanDerWaalsContact O-CG1 3.27Å; E384-I388 WeakPolarHBondContact O-CG1 3.42Å; E384-I388 PolarHBondContact O-N 2.93Å
385	A	98.3	Very high	97.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-42.6	174.9	0	0	0	0	0	112.2	L250 L289 R381 H382 L383 E387 I388 L389 L405	L250-A385 HydrophobicContact CD2-CB 3.6Å; L289-A385 HydrophobicContact CD1-CB 4.25Å; R381-A385 VanDerWaalsContact O-CB 3.29Å; R381-A385 WeakPolarHBondContact O-CB 3.49Å; R381-A385 PolarHBondContact O-N 3.35Å; H382-A385 PolarHBondContact O-N 3.5Å; L383-A385 VanDerWaalsContact C-N 3.33Å; L383-A385 PolarHBondContact O-N 2.82Å; A385-E387 VanDerWaalsContact C-N 3.34Å; A385-I388 PolarHBondContact O-N 2.98Å; A385-L389 VanDerWaalsContact O-CG 3.28Å; A385-L389 WeakPolarHBondContact O-CG 3.47Å; A385-L389 PolarHBondContact O-N 2.74Å; A385-L389 VanDerWaalsContact O-N 3.11Å; A385-L405 HydrophobicContact CB-CD1 4.41Å; A385-L405 HydrophobicContact CB-CD2 4.43Å
386	A	98.4	Very high	97.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-41	175.7	0	0	0	0	0	111.8	H382 L383 E384 L389 G390 A391 V393 V404 L405	H382-A386 WeakPolarHBondContact O-CB 3.47Å; H382-A386 PolarHBondContact O-N 3.28Å; L383-A386 PolarHBondContact O-N 2.75Å; E384-A386 PolarHBondContact O-N 3.04Å; A386-L389 CarbonylContact O-C 3.6Å; A386-L389 PolarHBondContact O-N 2.88Å; A386-G390 PolarHBondContact O-N 3.49Å; A386-G390 VanDerWaalsContact O-N 3.15Å; A386-A391 HydrophobicContact CB-CB 3.97Å; A386-A391 VanDerWaalsContact O-CB 3.26Å; A386-A391 WeakPolarHBondContact O-CB 3.25Å; A386-A391 PolarHBondContact O-N 3.2Å; A386-V393 HydrophobicContact CB-CG1 4.42Å; A386-V404 HydrophobicContact CB-CG1 3.99Å; A386-L405 HydrophobicContact CB-CB 4.23Å; A386-L405 HydrophobicContact CB-CD1 4.06Å
387	E	98.4	Very high	97	Very high	106 Å²	106	61.6 Å²	61.6	50%	0.495	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-46.6	176	-175.3	175.4	-145.2	0	0	111.9	L383 E384 A385 L389 G390 A391 V393	L383-E387 WeakPolarHBondContact O-CB 3.19Å; L383-E387 PolarHBondContact O-N 3.02Å; E384-E387 PolarHBondContact O-N 3.17Å; A385-E387 VanDerWaalsContact C-N 3.34Å; E387-L389 PolarHBondContact O-N 2.7Å; E387-G390 WeakPolarHBondContact O-CA 3.45Å; E387-G390 PolarHBondContact O-N 2.93Å; E387-A391 WeakPolarHBondContact CA-O 3.46Å; E387-V393 HydrophobicContact CB-CG1 4.24Å; E387-V393 HydrophobicContact CB-CG2 3.82Å; E387-V393 HydrophobicContact CG-CG2 4.04Å
388	I	98.3	Very high	97	Very high	36 Å²	36	64.7 Å²	64.7	19%	0.185	32%	0.315	C	S	.	.	H	α-helix	trans	-58.3	-37.5	175.6	-68	165	0	0	0	111.1	R286 L289 S293 E384 A385 G390	R286-I388 HydrophobicContact CB-CD1 4.26Å; R286-I388 HydrophobicContact CG-CD1 4.24Å; L289-I388 HydrophobicContact CB-CG2 3.61Å; L289-I388 HydrophobicContact CD1-CD1 4.49Å; S293-I388 WeakPolarHBondContact CB-O 3.33Å; S293-I388 PolarHBondContact OG-O 3.16Å; E384-I388 HydrophobicContact CG-CD1 4.12Å; E384-I388 VanDerWaalsContact O-CG1 3.27Å; E384-I388 WeakPolarHBondContact O-CG1 3.42Å; E384-I388 PolarHBondContact O-N 2.93Å; A385-I388 PolarHBondContact O-N 2.98Å; I388-G390 PolarHBondContact O-N 3.21Å
389	L	97.8	Very high	97	Very high	16 Å²	16	68.3 Å²	68.3	8%	0.084	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	2	177.4	-64.3	173.5	0	0	0	113.6	L246 L250 A385 A386 E387 L405 T408 L409	L246-L389 HydrophobicContact CD1-CD1 4.04Å; L246-L389 HydrophobicContact CD1-CD2 3.85Å; L250-L389 HydrophobicContact CD2-CD1 4.36Å; A385-L389 VanDerWaalsContact O-CG 3.28Å; A385-L389 WeakPolarHBondContact O-CG 3.47Å; A385-L389 PolarHBondContact O-N 2.74Å; A385-L389 VanDerWaalsContact O-N 3.11Å; A386-L389 CarbonylContact O-C 3.6Å; A386-L389 PolarHBondContact O-N 2.88Å; E387-L389 PolarHBondContact O-N 2.7Å; L389-L405 HydrophobicContact CD1-CD1 4.11Å; L389-T408 HydrophobicContact CB-CG2 3.69Å; L389-L409 HydrophobicContact CD1-CD2 4.11Å
390	G	95.9	Very high	97	Very high	66 Å²	66	71.1 Å²	71.1	68%	0.68	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.9	12.3	170.1	0	0	0	0	0	115.9	A386 E387 I388	A386-G390 PolarHBondContact O-N 3.49Å; A386-G390 VanDerWaalsContact O-N 3.15Å; E387-G390 WeakPolarHBondContact O-CA 3.45Å; E387-G390 PolarHBondContact O-N 2.93Å; I388-G390 PolarHBondContact O-N 3.21Å
391	A	97.1	Very high	97	Very high	17 Å²	17	67.3 Å²	67.3	14%	0.14	34%	0.342	C	S	.	.			trans	-79.3	143.7	173.7	0	0	0	0	0	112.2	A386 E387 V393 V404 T408	A386-A391 HydrophobicContact CB-CB 3.97Å; A386-A391 VanDerWaalsContact O-CB 3.26Å; A386-A391 WeakPolarHBondContact O-CB 3.25Å; A386-A391 PolarHBondContact O-N 3.2Å; E387-A391 WeakPolarHBondContact CA-O 3.46Å; A391-V393 HydrophobicContact CB-CG1 4.35Å; A391-V393 PolarHBondContact O-N 2.98Å; A391-V404 HydrophobicContact CB-CG1 4.07Å; A391-T408 HydrophobicContact CB-CG2 4.45Å; A391-T408 WeakPolarHBondContact CB-OG1 3.39Å
392	D	96	Very high	97	Very high	98 Å²	98	64.5 Å²	64.5	52%	0.524	33%	0.333	S	S	.	.			trans	-84.3	111.2	169.2	-174.9	-1.3	0	0	0	110.2	R394	D392-R394 WeakPolarHBondContact OD1-CB 3.23Å; D392-R394 WeakPolarHBondContact OD1-CG 3.41Å; D392-R394 IonicContact OD1-CZ 3.87Å; D392-R394 PolarHBondContact OD1-N 2.99Å; D392-R394 IonicContact OD1-NE 3.26Å; D392-R394 PolarHBondContact OD1-NE 3.36Å; D392-R394 IonicContact OD1-NH2 3.8Å; D392-R394 IonicContact OD2-CZ 2.66Å; D392-R394 IonicContact OD2-NE 2.65Å; D392-R394 PolarHBondContact OD2-NE 3.22Å; D392-R394 IonicContact OD2-NH2 2.84Å; D392-R394 PolarHBondContact OD2-NH2 3.23Å
393	V	96.3	Very high	96.9	Very high	21 Å²	21	67 Å²	67	13%	0.127	35%	0.353	C	S	.	.			trans	-106.1	2.3	-175.4	-59.9	0	0	0	0	114.2	L383 A386 E387 A391 Q395 V396 V404	L383-V393 HydrophobicContact CB-CG1 4.46Å; L383-V393 HydrophobicContact CD2-CB 4.34Å; L383-V393 HydrophobicContact CD2-CG1 4.07Å; A386-V393 HydrophobicContact CB-CG1 4.42Å; E387-V393 HydrophobicContact CB-CG1 4.24Å; E387-V393 HydrophobicContact CB-CG2 3.82Å; E387-V393 HydrophobicContact CG-CG2 4.04Å; A391-V393 HydrophobicContact CB-CG1 4.35Å; A391-V393 PolarHBondContact O-N 2.98Å; V393-Q395 PolarHBondContact O-N 3.06Å; V393-Q395 VanDerWaalsContact O-N 3.08Å; V393-V396 PolarHBondContact O-N 3.25Å; V393-V396 VanDerWaalsContact O-N 3.14Å; V393-V404 HydrophobicContact CG1-CG1 4.38Å
394	R	93.7	Very high	96.9	Very high	192 Å²	192	67.3 Å²	67.3	73%	0.725	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.2	-169.8	-69.1	175.7	-67.9	177	-0.1	114.9	D392	D392-R394 WeakPolarHBondContact OD1-CB 3.23Å; D392-R394 WeakPolarHBondContact OD1-CG 3.41Å; D392-R394 IonicContact OD1-CZ 3.87Å; D392-R394 PolarHBondContact OD1-N 2.99Å; D392-R394 IonicContact OD1-NE 3.26Å; D392-R394 PolarHBondContact OD1-NE 3.36Å; D392-R394 IonicContact OD1-NH2 3.8Å; D392-R394 IonicContact OD2-CZ 2.66Å; D392-R394 IonicContact OD2-NE 2.65Å; D392-R394 PolarHBondContact OD2-NE 3.22Å; D392-R394 IonicContact OD2-NH2 2.84Å; D392-R394 PolarHBondContact OD2-NH2 3.23Å
395	Q	93.3	Very high	96.9	Very high	184 Å²	184	64.5 Å²	64.5	86%	0.86	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.1	19.1	-178.3	-63.6	-63.2	-41.9	0	0	112.3	V393	V393-Q395 PolarHBondContact O-N 3.06Å; V393-Q395 VanDerWaalsContact O-N 3.08Å
396	V	96	Very high	96.9	Very high	41 Å²	41	64.5 Å²	64.5	25%	0.248	34%	0.343	C	S	.	.			trans	-88.4	132.7	-178.9	177.6	0	0	0	0	109.8	L383 V393 D400 V404	L383-V396 HydrophobicContact CD2-CB 4.12Å; L383-V396 HydrophobicContact CD2-CG1 3.55Å; V393-V396 PolarHBondContact O-N 3.25Å; V393-V396 VanDerWaalsContact O-N 3.14Å; V396-D400 HydrophobicContact CG1-CB 4.03Å; V396-V404 HydrophobicContact CG1-CG2 3.71Å; V396-V404 HydrophobicContact CG2-CG2 4.19Å
397	K	96.4	Very high	96.9	Very high	155 Å²	155	67.9 Å²	67.9	67%	0.674	36%	0.361	S	S	*	.			trans	-76.8	148	174.3	-60.1	175.2	-177	172.3	0	109.5	A399 D400	K397-A399 PolarHBondContact O-N 3.05Å; K397-A399 VanDerWaalsContact O-N 3.09Å; K397-D400 PolarHBondContact O-N 3.17Å
398	R	96	Very high	96.9	Very high	165 Å²	165	63.5 Å²	63.5	62%	0.623	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-51.6	-34.6	173.8	-77.1	175.6	151.2	172.1	-5.3	113.8	P379 E380 D400 A401	P379-R398 HydrophobicContact CB-CB 4.07Å; P379-R398 HydrophobicContact CB-CG 4.38Å; P379-R398 WeakPolarHBondContact CB-O 3.23Å; P379-R398 HydrophobicContact CG-CB 4.16Å; P379-R398 HydrophobicContact CG-CG 4.29Å; E380-R398 IonicContact OE1-CZ 3.88Å; E380-R398 IonicContact OE1-NE 2.99Å; E380-R398 PolarHBondContact OE1-NE 3.15Å; E380-R398 IonicContact OE1-NH1 2.69Å; E380-R398 IonicContact OE1-NH2 2.74Å; E380-R398 PolarHBondContact OE1-NH2 3.32Å; R398-D400 PolarHBondContact O-N 3.03Å; R398-A401 VanDerWaalsContact O-CB 3.25Å; R398-A401 WeakPolarHBondContact O-CB 3.25Å; R398-A401 PolarHBondContact O-N 3.49Å
399	A	96.4	Very high	96.9	Very high	95 Å²	95	61.9 Å²	61.9	79%	0.785	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-63.9	-26.1	178.6	0	0	0	0	0	113.2	K397	K397-A399 PolarHBondContact O-N 3.05Å; K397-A399 VanDerWaalsContact O-N 3.09Å
400	D	97.6	Very high	96.9	Very high	77 Å²	77	64.2 Å²	64.2	41%	0.412	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-93.6	0	-177.4	-54.5	-43.7	0	0	0	112.3	V396 K397 R398 G402 A403 V404	V396-D400 HydrophobicContact CG1-CB 4.03Å; K397-D400 PolarHBondContact O-N 3.17Å; R398-D400 PolarHBondContact O-N 3.03Å; D400-G402 VanDerWaalsContact C-N 3.27Å; D400-G402 PolarHBondContact O-N 3.46Å; D400-A403 PolarHBondContact O-N 3.04Å; D400-A403 VanDerWaalsContact O-N 3.1Å; D400-V404 PolarHBondContact O-N 3.13Å
401	A	97.9	Very high	96.9	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-54.2	-41.1	-175.6	0	0	0	0	0	113.3	A375 P379 H382 L383 R398 L405	A375-A401 HydrophobicContact CB-CB 4.43Å; P379-A401 HydrophobicContact CB-CB 3.75Å; P379-A401 WeakPolarHBondContact O-CB 3.27Å; H382-A401 HydrophobicContact CB-CB 4.14Å; L383-A401 HydrophobicContact CD1-CB 4.29Å; L383-A401 HydrophobicContact CD2-CB 3.95Å; L383-A401 HydrophobicContact CG-CB 3.71Å; R398-A401 VanDerWaalsContact O-CB 3.25Å; R398-A401 WeakPolarHBondContact O-CB 3.25Å; R398-A401 PolarHBondContact O-N 3.49Å; A401-L405 PolarHBondContact O-N 2.99Å; A401-L405 VanDerWaalsContact O-N 3.08Å
402	G	96.9	Very high	96.8	Very high	4 Å²	4	68.9 Å²	68.9	4%	0.041	34%	0.335	C	S	.	.	H	α-helix	trans	-65.7	-45.3	178.2	0	0	0	0	0	112.7	A375 D400 A406	A375-G402 VanDerWaalsContact CB-N 3.32Å; D400-G402 VanDerWaalsContact C-N 3.27Å; D400-G402 PolarHBondContact O-N 3.46Å; G402-A406 WeakPolarHBondContact O-CB 3.37Å; G402-A406 PolarHBondContact O-N 2.92Å
403	A	97.6	Very high	96.8	Very high	51 Å²	51	64.2 Å²	64.2	42%	0.421	31%	0.31	S	S	.	.	H	α-helix	trans	-63.5	-44.6	178.2	0	0	0	0	0	111.3	D400 A406 D407	D400-A403 PolarHBondContact O-N 3.04Å; D400-A403 VanDerWaalsContact O-N 3.1Å; A403-A406 PolarHBondContact O-N 2.9Å; A403-D407 WeakPolarHBondContact O-CB 3.39Å; A403-D407 PolarHBondContact O-N 3.2Å
404	V	98.4	Very high	96.8	Very high	31 Å²	31	69.3 Å²	69.3	19%	0.188	33%	0.331	C	S	.	.	H	α-helix	trans	-63.4	-45.9	179.8	172.6	0	0	0	0	111.9	A386 A391 V393 V396 D400 T408	A386-V404 HydrophobicContact CB-CG1 3.99Å; A391-V404 HydrophobicContact CB-CG1 4.07Å; V393-V404 HydrophobicContact CG1-CG1 4.38Å; V396-V404 HydrophobicContact CG1-CG2 3.71Å; V396-V404 HydrophobicContact CG2-CG2 4.19Å; D400-V404 PolarHBondContact O-N 3.13Å; V404-T408 WeakPolarHBondContact O-CB 3.46Å; V404-T408 PolarHBondContact O-N 3.08Å; V404-T408 PolarHBondContact O-OG1 3.32Å
405	L	98.5	Very high	96.8	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66	-43.5	176.7	-178.7	56	0	0	0	111.2	L250 F371 H382 A385 A386 L389 A401 D407 T408 L409	L250-L405 HydrophobicContact CD2-CD1 4.45Å; L250-L405 HydrophobicContact CD2-CD2 4.5Å; F371-L405 HydrophobicContact CB-CD2 3.94Å; F371-L405 HydrophobicContact CB-CG 4.31Å; F371-L405 HydrophobicContact CD1-CD2 4.15Å; F371-L405 HydrophobicContact CG-CD2 3.96Å; H382-L405 HydrophobicContact CB-CD2 4.13Å; A385-L405 HydrophobicContact CB-CD1 4.41Å; A385-L405 HydrophobicContact CB-CD2 4.43Å; A386-L405 HydrophobicContact CB-CB 4.23Å; A386-L405 HydrophobicContact CB-CD1 4.06Å; L389-L405 HydrophobicContact CD1-CD1 4.11Å; A401-L405 PolarHBondContact O-N 2.99Å; A401-L405 VanDerWaalsContact O-N 3.08Å; L405-D407 PolarHBondContact O-N 3.19Å; L405-T408 WeakPolarHBondContact O-CB 3.26Å; L405-T408 PolarHBondContact O-N 2.95Å; L405-L409 HydrophobicContact CD1-CD1 4.42Å; L405-L409 HydrophobicContact CD1-CG 4.26Å; L405-L409 HydrophobicContact CG-CD1 4.24Å; L405-L409 VanDerWaalsContact O-CG 3.31Å; L405-L409 WeakPolarHBondContact O-CG 3.34Å; L405-L409 PolarHBondContact O-N 2.88Å
406	A	98.2	Very high	96.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-43.4	178.3	0	0	0	0	0	112.7	P368 S372 G402 A403 L409 R410	P368-A406 HydrophobicContact CB-CB 4.03Å; P368-A406 WeakPolarHBondContact O-CB 3.48Å; S372-A406 VanDerWaalsContact OG-CB 3.25Å; S372-A406 WeakPolarHBondContact OG-CB 3.46Å; G402-A406 WeakPolarHBondContact O-CB 3.37Å; G402-A406 PolarHBondContact O-N 2.92Å; A403-A406 PolarHBondContact O-N 2.9Å; A406-L409 PolarHBondContact O-N 3.13Å; A406-R410 WeakPolarHBondContact O-CG 3.31Å; A406-R410 PolarHBondContact O-N 3.46Å
407	D	98	Very high	96.8	Very high	70 Å²	70	59.3 Å²	59.3	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-68.5	-36.5	177	-73.8	-13.7	0	0	0	112.3	A403 L405 L409 R410 R411	A403-D407 WeakPolarHBondContact O-CB 3.39Å; A403-D407 PolarHBondContact O-N 3.2Å; L405-D407 PolarHBondContact O-N 3.19Å; D407-L409 VanDerWaalsContact C-N 3.32Å; D407-R410 PolarHBondContact O-N 3.14Å; D407-R410 IonicContact OD1-CZ 3.41Å; D407-R410 IonicContact OD1-NH1 2.77Å; D407-R410 PolarHBondContact OD1-NH1 2.72Å; D407-R411 WeakPolarHBondContact O-CG 3.3Å; D407-R411 PolarHBondContact O-N 3.12Å
408	T	98.1	Very high	96.7	Very high	15 Å²	15	52.4 Å²	52.4	9%	0.092	26%	0.262	C	S	.	.	H	α-helix	trans	-61.1	-44.3	173.5	-57	0	0	0	0	110.5	L389 A391 V404 L405 R411 F412	L389-T408 HydrophobicContact CB-CG2 3.69Å; A391-T408 HydrophobicContact CB-CG2 4.45Å; A391-T408 WeakPolarHBondContact CB-OG1 3.39Å; V404-T408 WeakPolarHBondContact O-CB 3.46Å; V404-T408 PolarHBondContact O-N 3.08Å; V404-T408 PolarHBondContact O-OG1 3.32Å; L405-T408 WeakPolarHBondContact O-CB 3.26Å; L405-T408 PolarHBondContact O-N 2.95Å; T408-R411 PolarHBondContact O-N 3.07Å; T408-F412 WeakPolarHBondContact O-CB 3.21Å; T408-F412 PolarHBondContact O-N 3.2Å
409	L	98.2	Very high	96.7	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-63.9	-48.6	174.9	-67.9	173.3	0	0	0	111.6	L246 L250 A367 P368 F371 L389 L405 A406 D407 R411 F412 L413	L246-L409 HydrophobicContact CD1-CD2 4.47Å; L246-L409 HydrophobicContact CD2-CD2 3.92Å; L246-L409 HydrophobicContact CG-CD2 4.43Å; L250-L409 HydrophobicContact CD1-CD1 4.21Å; L250-L409 HydrophobicContact CD1-CD2 3.79Å; A367-L409 HydrophobicContact CB-CD1 4.27Å; P368-L409 HydrophobicContact CG-CB 4.15Å; F371-L409 HydrophobicContact CD2-CD1 3.48Å; F371-L409 VanDerWaalsContact CD2-CD1 3.48Å; F371-L409 HydrophobicContact CE2-CD1 4.08Å; F371-L409 HydrophobicContact CG-CD1 4.4Å; L389-L409 HydrophobicContact CD1-CD2 4.11Å; L405-L409 HydrophobicContact CD1-CD1 4.42Å; L405-L409 HydrophobicContact CD1-CG 4.26Å; L405-L409 HydrophobicContact CG-CD1 4.24Å; L405-L409 VanDerWaalsContact O-CG 3.31Å; L405-L409 WeakPolarHBondContact O-CG 3.34Å; L405-L409 PolarHBondContact O-N 2.88Å; A406-L409 PolarHBondContact O-N 3.13Å; D407-L409 VanDerWaalsContact C-N 3.32Å; L409-R411 VanDerWaalsContact C-N 3.31Å; L409-R411 PolarHBondContact O-N 3.49Å; L409-F412 CarbonylContact O-C 3.49Å; L409-F412 WeakPolarHBondContact O-CA 3.21Å; L409-F412 WeakPolarHBondContact O-CB 3.37Å; L409-F412 PolarHBondContact O-N 3.37Å; L409-L413 VanDerWaalsContact O-CG 3.27Å; L409-L413 WeakPolarHBondContact O-CG 3.42Å; L409-L413 PolarHBondContact O-N 2.94Å
410	R	98.1	Very high	96.7	Very high	65 Å²	65	44.5 Å²	44.5	25%	0.245	22%	0.218	C	C	.	.	H	α-helix	trans	-53.7	-47.1	176.6	-73.3	176.2	-174.2	114.1	4.4	111.6	P368 A406 D407 F412 L413 F414 L468 Y469	P368-R410 HydrophobicContact CB-CG 4.22Å; P368-R410 HydrophobicContact CG-CG 4.15Å; A406-R410 WeakPolarHBondContact O-CG 3.31Å; A406-R410 PolarHBondContact O-N 3.46Å; D407-R410 PolarHBondContact O-N 3.14Å; D407-R410 IonicContact OD1-CZ 3.41Å; D407-R410 IonicContact OD1-NH1 2.77Å; D407-R410 PolarHBondContact OD1-NH1 2.72Å; R410-F412 VanDerWaalsContact C-N 3.3Å; R410-F412 PolarHBondContact O-N 3.44Å; R410-L413 PolarHBondContact O-N 3.42Å; R410-F414 WeakPolarHBondContact O-CB 3.47Å; R410-F414 PolarHBondContact O-N 3.19Å; R410-L468 VanDerWaalsContact CD-O 3.25Å; R410-L468 WeakPolarHBondContact CD-O 3.36Å; R410-L468 PolarHBondContact NE-O 2.5Å; R410-Y469 HydrophobicContact CB-CD1 4.49Å; R410-Y469 HydrophobicContact CB-CE1 4.3Å; R410-Y469 VanDerWaalsContact O-CE1 3.28Å; R410-Y469 WeakPolarHBondContact O-CE1 3.42Å
411	R	96.4	Very high	96.6	Very high	173 Å²	173	40.9 Å²	40.9	65%	0.653	20%	0.199	S	C	*	.	H	α-helix	trans	-59.4	-43.2	175.8	-70	173.7	-170.4	171.6	5	111.9	D407 T408 L409 L413 F414 D415	D407-R411 WeakPolarHBondContact O-CG 3.3Å; D407-R411 PolarHBondContact O-N 3.12Å; T408-R411 PolarHBondContact O-N 3.07Å; L409-R411 VanDerWaalsContact C-N 3.31Å; L409-R411 PolarHBondContact O-N 3.49Å; R411-L413 PolarHBondContact O-N 3.28Å; R411-F414 PolarHBondContact O-N 3.1Å; R411-D415 WeakPolarHBondContact O-CB 3.47Å; R411-D415 VanDerWaalsContact O-CG 3.26Å; R411-D415 PolarHBondContact O-N 2.92Å
412	F	94.3	Very high	96.6	Very high	9 Å²	9	40.9 Å²	40.9	4%	0.039	20%	0.199	C	C	.	.	H	α-helix	trans	-62.6	-41.9	178.9	-159.2	-86.8	0	0	0	112.5	F243 L246 V292 M296 K297 T408 L409 R410 L416	F243-F412 HydrophobicContact CE1-CD1 4.46Å; L246-F412 HydrophobicContact CD2-CD1 4.2Å; L246-F412 HydrophobicContact CD2-CE1 4.34Å; V292-F412 HydrophobicContact CG1-CE1 4.49Å; V292-F412 HydrophobicContact CG1-CZ 4.01Å; M296-F412 HydrophobicContact CB-CZ 4.13Å; M296-F412 HydrophobicContact CE-CE1 4.16Å; M296-F412 HydrophobicContact CG-CE1 4.37Å; M296-F412 HydrophobicContact CG-CZ 4.34Å; M296-F412 HydrophobicContact SD-CE1 3.59Å; M296-F412 VanDerWaalsContact SD-CE1 3.59Å; M296-F412 HydrophobicContact SD-CZ 3.94Å; K297-F412 HydrophobicContact CG-CE2 4.42Å; K297-F412 HydrophobicContact CG-CZ 4.37Å; T408-F412 WeakPolarHBondContact O-CB 3.21Å; T408-F412 PolarHBondContact O-N 3.2Å; L409-F412 CarbonylContact O-C 3.49Å; L409-F412 WeakPolarHBondContact O-CA 3.21Å; L409-F412 WeakPolarHBondContact O-CB 3.37Å; L409-F412 PolarHBondContact O-N 3.37Å; R410-F412 VanDerWaalsContact C-N 3.3Å; R410-F412 PolarHBondContact O-N 3.44Å; F412-L416 HydrophobicContact CD1-CD1 3.99Å; F412-L416 HydrophobicContact CE1-CD1 3.63Å; F412-L416 HydrophobicContact CZ-CD1 4.42Å; F412-L416 PolarHBondContact O-N 2.99Å
413	L	96.3	Very high	96.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-69.4	-40.3	177	-60.8	177.8	0	0	0	111.9	F243 V364 P368 L409 R410 R411 L416 Q417 V418 L468 Y469	F243-L413 HydrophobicContact CD1-CD2 3.78Å; F243-L413 HydrophobicContact CE1-CD2 3.54Å; F243-L413 HydrophobicContact CZ-CD2 4.14Å; V364-L413 HydrophobicContact CB-CD2 4.29Å; V364-L413 HydrophobicContact CG1-CD2 3.93Å; V364-L413 HydrophobicContact CG2-CD1 4.19Å; V364-L413 HydrophobicContact CG2-CD2 3.37Å; V364-L413 HydrophobicContact CG2-CG 4.34Å; P368-L413 HydrophobicContact CG-CD1 4.28Å; L409-L413 VanDerWaalsContact O-CG 3.27Å; L409-L413 WeakPolarHBondContact O-CG 3.42Å; L409-L413 PolarHBondContact O-N 2.94Å; R410-L413 PolarHBondContact O-N 3.42Å; R411-L413 PolarHBondContact O-N 3.28Å; L413-L416 CarbonylContact O-C 3.59Å; L413-L416 PolarHBondContact O-N 3.45Å; L413-Q417 PolarHBondContact O-N 3.08Å; L413-Q417 VanDerWaalsContact O-N 3.14Å; L413-V418 HydrophobicContact CB-CB 4Å; L413-V418 HydrophobicContact CB-CG2 3.99Å; L413-V418 HydrophobicContact CD2-CG2 3.91Å; L413-V418 WeakPolarHBondContact O-CG2 3.39Å; L413-V418 PolarHBondContact O-N 3.15Å; L413-L468 HydrophobicContact CD1-CD1 3.98Å; L413-Y469 HydrophobicContact CB-CE1 4.5Å; L413-Y469 WeakPolarHBondContact CB-OH 3.48Å; L413-Y469 PolarHBondContact O-OH 3.42Å
414	F	96.5	Very high	96.5	Very high	128 Å²	128	42.5 Å²	42.5	56%	0.561	22%	0.215	S	C	*	.	H	α-helix	trans	-62.1	-45.7	177.4	-177.1	-95.8	0	0	0	111.1	R410 R411 L416 Q417 Y469	R410-F414 WeakPolarHBondContact O-CB 3.47Å; R410-F414 PolarHBondContact O-N 3.19Å; R411-F414 PolarHBondContact O-N 3.1Å; F414-L416 PolarHBondContact O-N 3.36Å; F414-L416 VanDerWaalsContact O-N 3.17Å; F414-Q417 PolarHBondContact O-N 2.71Å; F414-Y469 WeakPolarHBondContact CA-OH 3.37Å; F414-Y469 HydrophobicContact CB-CD1 4.19Å; F414-Y469 HydrophobicContact CB-CE1 3.66Å; F414-Y469 HydrophobicContact CD2-CD1 4.14Å; F414-Y469 HydrophobicContact CD2-CD2 4.16Å; F414-Y469 HydrophobicContact CD2-CE1 4.26Å; F414-Y469 HydrophobicContact CD2-CE2 4.26Å; F414-Y469 HydrophobicContact CD2-CG 4.1Å; F414-Y469 HydrophobicContact CG-CE1 4.47Å; F414-Y469 PolarHBondContact N-OH 3.01Å
415	D	94.6	Very high	96.4	Very high	65 Å²	65	41.2 Å²	41.2	35%	0.348	21%	0.207	S	C	.	.	H	α-helix	trans	-62.2	-23.4	179.1	-77.7	-10.6	0	0	0	114	K297 R301 R411	K297-D415 IonicContact NZ-OD2 3.21Å; K297-D415 PolarHBondContact NZ-OD2 2.71Å; R301-D415 PolarHBondContact NH2-O 3.39Å; R411-D415 WeakPolarHBondContact O-CB 3.47Å; R411-D415 VanDerWaalsContact O-CG 3.26Å; R411-D415 PolarHBondContact O-N 2.92Å
416	L	94.7	Very high	96.2	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.037	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	12.5	177.5	-67.7	177.6	0	0	0	112.5	R236 F243 M296 K297 V300 F412 L413 F414 V418	R236-L416 PolarHBondContact NH1-O 3Å; R236-L416 VanDerWaalsContact NH1-O 3.13Å; F243-L416 HydrophobicContact CE1-CB 4.37Å; F243-L416 HydrophobicContact CE1-CD1 3.64Å; F243-L416 HydrophobicContact CZ-CB 3.81Å; F243-L416 HydrophobicContact CZ-CD1 3.78Å; F243-L416 HydrophobicContact CZ-CG 4.47Å; M296-L416 HydrophobicContact CE-CD1 3.71Å; M296-L416 HydrophobicContact CG-CD1 4.38Å; M296-L416 HydrophobicContact SD-CD1 4.42Å; K297-L416 HydrophobicContact CB-CD2 4.43Å; K297-L416 HydrophobicContact CG-CD2 4.12Å; K297-L416 HydrophobicContact CG-CG 4.38Å; V300-L416 HydrophobicContact CB-CD2 4.05Å; V300-L416 HydrophobicContact CG1-CD2 4.05Å; V300-L416 HydrophobicContact CG2-CD2 4.26Å; F412-L416 HydrophobicContact CD1-CD1 3.99Å; F412-L416 HydrophobicContact CE1-CD1 3.63Å; F412-L416 HydrophobicContact CZ-CD1 4.42Å; F412-L416 PolarHBondContact O-N 2.99Å; L413-L416 CarbonylContact O-C 3.59Å; L413-L416 PolarHBondContact O-N 3.45Å; F414-L416 PolarHBondContact O-N 3.36Å; F414-L416 VanDerWaalsContact O-N 3.17Å; L416-V418 VanDerWaalsContact C-N 3.28Å; L416-V418 PolarHBondContact O-N 3.45Å
417	Q	94.1	Very high	96.2	Very high	135 Å²	135	43.3 Å²	43.3	63%	0.631	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	45.6	173.9	-55.8	176.9	6.1	0	0	112.1	R236 L413 F414	R236-Q417 PolarHBondContact NH1-O 3.36Å; R236-Q417 PolarHBondContact NH2-O 3.03Å; L413-Q417 PolarHBondContact O-N 3.08Å; L413-Q417 VanDerWaalsContact O-N 3.14Å; F414-Q417 PolarHBondContact O-N 2.71Å
418	V	94.7	Very high	96.1	Very high	9 Å²	9	43.2 Å²	43.2	6%	0.055	23%	0.225	C	C	.	.			trans	-70.7	145.8	171.2	178.2	0	0	0	0	109.4	F243 L361 L365 L413 L416	F243-V418 HydrophobicContact CD2-CG2 4.35Å; F243-V418 HydrophobicContact CE1-CG2 4Å; F243-V418 HydrophobicContact CE2-CG2 3.34Å; F243-V418 HydrophobicContact CZ-CG2 3.13Å; L361-V418 HydrophobicContact CD1-CG1 3.66Å; L365-V418 HydrophobicContact CD2-CG1 4.06Å; L413-V418 HydrophobicContact CB-CB 4Å; L413-V418 HydrophobicContact CB-CG2 3.99Å; L413-V418 HydrophobicContact CD2-CG2 3.91Å; L413-V418 WeakPolarHBondContact O-CG2 3.39Å; L413-V418 PolarHBondContact O-N 3.15Å; L416-V418 VanDerWaalsContact C-N 3.28Å; L416-V418 PolarHBondContact O-N 3.45Å
419	E	94.4	Very high	96.1	Very high	44 Å²	44	50 Å²	50	21%	0.206	25%	0.253	C	S	.	.			trans	-50.2	139.2	172.4	-68.9	79.1	-175.9	0	0	111.4	H345 L361 G421 A424 V425	H345-E419 IonicContact CE1-OE1 2.89Å; L361-E419 WeakPolarHBondContact CD1-OE2 3.39Å; L361-E419 WeakPolarHBondContact CD2-OE2 3.46Å; E419-G421 PolarHBondContact O-N 3.02Å; E419-A424 HydrophobicContact CB-CB 3.85Å; E419-V425 HydrophobicContact CB-CG1 3.87Å; E419-V425 HydrophobicContact CG-CG1 3.89Å
420	D	96.4	Very high	96	Very high	51 Å²	51	56.7 Å²	56.7	27%	0.273	29%	0.289	S	S	.	.	S	Bend	trans	-76.2	68.2	-176.6	-174.9	18.8	0	0	0	112	A424 K467 L468 Y469	D420-A424 HydrophobicContact CB-CB 4.44Å; D420-K467 WeakPolarHBondContact OD2-CE 3.48Å; D420-K467 WeakPolarHBondContact OD2-CG 3.38Å; D420-L468 WeakPolarHBondContact OD1-CA 3.46Å; D420-L468 PolarHBondContact OD1-N 3.25Å; D420-Y469 HydrophobicContact CB-CD2 3.87Å; D420-Y469 HydrophobicContact CB-CE2 4.26Å; D420-Y469 WeakPolarHBondContact OD1-CD2 3.35Å; D420-Y469 PolarHBondContact OD1-N 3.46Å
421	G	97	Very high	96	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	81.2	-174.3	177	0	0	0	0	0	114.7	E419 G423 A424 S465	E419-G421 PolarHBondContact O-N 3.02Å; G421-G423 PolarHBondContact O-N 2.92Å; G421-A424 PolarHBondContact O-N 2.85Å; G421-A424 VanDerWaalsContact O-N 3.16Å; G421-S465 WeakPolarHBondContact CA-O 3.36Å
422	L	97.7	Very high	96	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.3	-30.4	-176.9	-63.5	170.7	0	0	0	112.7	I338 L365 A424 V425 G426 Y427 F462 S465 M466	I338-L422 HydrophobicContact CD1-CD2 3.67Å; I338-L422 HydrophobicContact CG1-CD2 3.94Å; I338-L422 HydrophobicContact CG2-CD2 4.01Å; L365-L422 HydrophobicContact CB-CD2 4.26Å; L365-L422 HydrophobicContact CD1-CD2 4.03Å; L422-A424 VanDerWaalsContact C-N 3.31Å; L422-A424 PolarHBondContact O-N 2.8Å; L422-V425 HydrophobicContact CD2-CG2 4.45Å; L422-V425 CarbonylContact O-C 3.46Å; L422-V425 VanDerWaalsContact O-CG2 3.22Å; L422-V425 WeakPolarHBondContact O-CG2 3.5Å; L422-V425 PolarHBondContact O-N 2.68Å; L422-G426 PolarHBondContact O-N 3.18Å; L422-Y427 HydrophobicContact CB-CD2 4.25Å; L422-Y427 HydrophobicContact CD2-CD2 4.21Å; L422-Y427 PolarHBondContact O-N 3.1Å; L422-Y427 VanDerWaalsContact O-N 3.09Å; L422-F462 HydrophobicContact CD1-CD1 3.77Å; L422-S465 PolarHBondContact N-O 3.03Å; L422-M466 HydrophobicContact CB-CE 4.49Å; L422-M466 HydrophobicContact CB-SD 3.82Å; L422-M466 HydrophobicContact CD1-SD 4.32Å
423	G	97	Very high	96.2	Very high	35 Å²	35	50.7 Å²	50.7	36%	0.361	28%	0.28	S	S	.	.	H	α-helix	trans	-60.1	-40.7	175.2	0	0	0	0	0	112.8	G421 V425 G426 Y427 M466	G421-G423 PolarHBondContact O-N 2.92Å; G423-V425 PolarHBondContact O-N 3.31Å; G423-G426 PolarHBondContact O-N 3.47Å; G423-G426 VanDerWaalsContact O-N 3.14Å; G423-Y427 WeakPolarHBondContact CA-O 3.4Å; G423-M466 PolarHBondContact N-O 3.46Å; G423-M466 VanDerWaalsContact N-O 3.12Å
424	A	95.9	Very high	96.1	Very high	54 Å²	54	52.9 Å²	52.9	45%	0.446	30%	0.298	S	S	.	.	H	α-helix	trans	-71.2	-19.1	-179.9	0	0	0	0	0	113.4	E419 D420 G421 L422	E419-A424 HydrophobicContact CB-CB 3.85Å; D420-A424 HydrophobicContact CB-CB 4.44Å; G421-A424 PolarHBondContact O-N 2.85Å; G421-A424 VanDerWaalsContact O-N 3.16Å; L422-A424 VanDerWaalsContact C-N 3.31Å; L422-A424 PolarHBondContact O-N 2.8Å
425	V	95.6	Very high	96.1	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.024	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	15.4	172.9	-58.7	0	0	0	0	112.9	H345 V357 L361 L365 E419 L422 G423 Y427	H345-V425 HydrophobicContact CB-CB 4.35Å; H345-V425 WeakPolarHBondContact CB-O 3.36Å; V357-V425 HydrophobicContact CG2-CB 4.31Å; L361-V425 HydrophobicContact CD2-CG1 4.12Å; L365-V425 HydrophobicContact CD1-CG1 4.11Å; L365-V425 HydrophobicContact CD1-CG2 3.87Å; E419-V425 HydrophobicContact CB-CG1 3.87Å; E419-V425 HydrophobicContact CG-CG1 3.89Å; L422-V425 HydrophobicContact CD2-CG2 4.45Å; L422-V425 CarbonylContact O-C 3.46Å; L422-V425 VanDerWaalsContact O-CG2 3.22Å; L422-V425 WeakPolarHBondContact O-CG2 3.5Å; L422-V425 PolarHBondContact O-N 2.68Å; G423-V425 PolarHBondContact O-N 3.31Å; V425-Y427 HydrophobicContact CG2-CD2 3.85Å; V425-Y427 HydrophobicContact CG2-CE2 4.14Å
426	G	95.3	Very high	96.2	Very high	33 Å²	33	44 Å²	44	34%	0.34	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.4	16	167.3	0	0	0	0	0	116	L422 G423	L422-G426 PolarHBondContact O-N 3.18Å; G423-G426 PolarHBondContact O-N 3.47Å; G423-G426 VanDerWaalsContact O-N 3.14Å
427	Y	97.1	Very high	96.1	Very high	11 Å²	11	51.2 Å²	51.2	4%	0.043	29%	0.288	C	S	.	.			trans	-89.1	153	167.6	-68.1	-73.2	0	0	0	111.5	I338 N341 V342 L422 G423 V425 D431 L435 M466	I338-Y427 HydrophobicContact CG2-CE2 3.9Å; I338-Y427 PolarHBondContact O-OH 3.23Å; N341-Y427 HydrophobicContact CB-CE1 4.35Å; N341-Y427 PolarHBondContact O-OH 3.48Å; N341-Y427 VanDerWaalsContact O-OH 3.13Å; V342-Y427 VanDerWaalsContact CA-OH 3.31Å; V342-Y427 WeakPolarHBondContact CA-OH 3.46Å; V342-Y427 PolarHBondContact N-OH 3.13Å; V342-Y427 VanDerWaalsContact N-OH 3.13Å; L422-Y427 HydrophobicContact CB-CD2 4.25Å; L422-Y427 HydrophobicContact CD2-CD2 4.21Å; L422-Y427 PolarHBondContact O-N 3.1Å; L422-Y427 VanDerWaalsContact O-N 3.09Å; G423-Y427 WeakPolarHBondContact CA-O 3.4Å; V425-Y427 HydrophobicContact CG2-CD2 3.85Å; V425-Y427 HydrophobicContact CG2-CE2 4.14Å; Y427-D431 WeakPolarHBondContact CA-OD2 3.34Å; Y427-D431 HydrophobicContact CD1-CB 3.8Å; Y427-D431 WeakPolarHBondContact CD1-OD2 3.45Å; Y427-L435 HydrophobicContact CD1-CD1 4.16Å; Y427-L435 HydrophobicContact CD1-CD2 4.42Å; Y427-L435 HydrophobicContact CE1-CD2 4Å; Y427-L435 HydrophobicContact CG-CD1 4.43Å; Y427-M466 WeakPolarHBondContact O-CE 3.32Å
428	D	97	Very high	96	Very high	69 Å²	69	45.4 Å²	45.4	37%	0.369	26%	0.264	S	S	.	.			trans	-124.4	-177	168.6	60.2	47.6	0	0	0	110.9	D430 D431	D428-D430 PolarHBondContact O-N 2.65Å; D428-D430 WeakPolarHBondContact OD1-CA 3.17Å; D428-D430 VanDerWaalsContact OD1-CB 3.29Å; D428-D430 WeakPolarHBondContact OD1-CB 3.37Å; D428-D430 PolarHBondContact OD1-N 3.27Å; D428-D431 PolarHBondContact N-OD2 3.26Å; D428-D431 WeakPolarHBondContact O-CB 3.25Å; D428-D431 PolarHBondContact O-N 2.9Å; D428-D431 PolarHBondContact OD1-N 2.97Å
429	K	96.3	Very high	95.9	Very high	156 Å²	156	45 Å²	45	68%	0.678	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-68.1	-25.7	179.9	-68	-173.7	178.3	-174.8	0	112.8	D431 I432	K429-D431 PolarHBondContact O-N 3.48Å; K429-I432 HydrophobicContact CB-CD1 4.45Å; K429-I432 WeakPolarHBondContact O-CB 3.33Å; K429-I432 WeakPolarHBondContact O-CG1 3.27Å; K429-I432 PolarHBondContact O-N 3.09Å
430	D	97.4	Very high	95.8	Very high	143 Å²	143	46 Å²	46	77%	0.765	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-75	-16.6	-178.9	-59.4	-26.6	0	0	0	111.2	D428 P433	D428-D430 PolarHBondContact O-N 2.65Å; D428-D430 WeakPolarHBondContact OD1-CA 3.17Å; D428-D430 VanDerWaalsContact OD1-CB 3.29Å; D428-D430 WeakPolarHBondContact OD1-CB 3.37Å; D428-D430 PolarHBondContact OD1-N 3.27Å; D430-P433 WeakPolarHBondContact O-CD 3.43Å
431	D	96.9	Very high	95.3	Very high	23 Å²	23	45.7 Å²	45.7	12%	0.123	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-77.8	-21.4	173.3	-67.8	-47.8	0	0	0	114.5	K343 Y427 D428 K429 A434 L435	K343-D431 WeakPolarHBondContact CE-OD1 3.2Å; K343-D431 WeakPolarHBondContact CE-OD2 3.28Å; K343-D431 IonicContact NZ-OD1 3.01Å; K343-D431 PolarHBondContact NZ-OD1 3.34Å; K343-D431 IonicContact NZ-OD2 4Å; K343-D431 PolarHBondContact NZ-OD2 2.84Å; Y427-D431 WeakPolarHBondContact CA-OD2 3.34Å; Y427-D431 HydrophobicContact CD1-CB 3.8Å; Y427-D431 WeakPolarHBondContact CD1-OD2 3.45Å; D428-D431 PolarHBondContact N-OD2 3.26Å; D428-D431 WeakPolarHBondContact O-CB 3.25Å; D428-D431 PolarHBondContact O-N 2.9Å; D428-D431 PolarHBondContact OD1-N 2.97Å; K429-D431 PolarHBondContact O-N 3.48Å; D431-A434 WeakPolarHBondContact O-CA 3.42Å; D431-A434 WeakPolarHBondContact O-CB 3.41Å; D431-A434 PolarHBondContact O-N 3.43Å; D431-L435 HydrophobicContact CB-CD1 4.48Å; D431-L435 WeakPolarHBondContact O-CG 3.49Å; D431-L435 PolarHBondContact O-N 3.23Å
432	I	97.8	Very high	94.9	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.036	27%	0.271	C	S	.	.	H	α-helix	trans	-55.8	-45.1	-172.8	-63.3	178.5	0	0	0	112.3	K429 A434 L435 V436 F462 E463	K429-I432 HydrophobicContact CB-CD1 4.45Å; K429-I432 WeakPolarHBondContact O-CB 3.33Å; K429-I432 WeakPolarHBondContact O-CG1 3.27Å; K429-I432 PolarHBondContact O-N 3.09Å; I432-A434 VanDerWaalsContact C-N 3.27Å; I432-A434 PolarHBondContact O-N 3.2Å; I432-L435 PolarHBondContact O-N 3.27Å; I432-L435 VanDerWaalsContact O-N 3.13Å; I432-V436 HydrophobicContact CG2-CG2 4.23Å; I432-V436 WeakPolarHBondContact O-CG2 2.98Å; I432-V436 PolarHBondContact O-N 3.41Å; I432-F462 HydrophobicContact CD1-CB 4.42Å; I432-F462 HydrophobicContact CG1-CB 4.17Å; I432-F462 HydrophobicContact CG2-CB 3.96Å; I432-E463 HydrophobicContact CD1-CB 4.29Å; I432-E463 HydrophobicContact CD1-CG 3.44Å; I432-E463 VanDerWaalsContact CD1-CG 3.44Å
433	P	97.3	Very high	94.3	Very high	90 Å²	90	50.1 Å²	50.1	58%	0.584	29%	0.29	S	S	*	.	H	α-helix	trans	-57.2	-38.5	175.7	-25.9	35.8	0	0	0	113.4	D430 K437	D430-P433 WeakPolarHBondContact O-CD 3.43Å; P433-K437 WeakPolarHBondContact O-CB 3.44Å; P433-K437 PolarHBondContact O-N 2.94Å
434	A	95.1	Very high	93.7	Very high	47 Å²	47	51 Å²	51	39%	0.388	28%	0.282	S	S	.	.	H	α-helix	trans	-70.7	-38.3	177.8	0	0	0	0	0	111.8	D431 I432 K437 G438	D431-A434 WeakPolarHBondContact O-CA 3.42Å; D431-A434 WeakPolarHBondContact O-CB 3.41Å; D431-A434 PolarHBondContact O-N 3.43Å; I432-A434 VanDerWaalsContact C-N 3.27Å; I432-A434 PolarHBondContact O-N 3.2Å; A434-K437 PolarHBondContact O-N 3.41Å; A434-G438 PolarHBondContact O-N 3.06Å
435	L	96.1	Very high	93.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.5	-43.2	176.1	-65.7	175.4	0	0	0	112	P337 I338 Y427 D431 I432 G438 T439 F462	P337-L435 HydrophobicContact CB-CD2 4.04Å; P337-L435 VanDerWaalsContact CG-O 3.28Å; P337-L435 WeakPolarHBondContact CG-O 3.21Å; I338-L435 HydrophobicContact CG1-CD2 4.22Å; Y427-L435 HydrophobicContact CD1-CD1 4.16Å; Y427-L435 HydrophobicContact CD1-CD2 4.42Å; Y427-L435 HydrophobicContact CE1-CD2 4Å; Y427-L435 HydrophobicContact CG-CD1 4.43Å; D431-L435 HydrophobicContact CB-CD1 4.48Å; D431-L435 WeakPolarHBondContact O-CG 3.49Å; D431-L435 PolarHBondContact O-N 3.23Å; I432-L435 PolarHBondContact O-N 3.27Å; I432-L435 VanDerWaalsContact O-N 3.13Å; L435-G438 PolarHBondContact O-N 3.1Å; L435-T439 PolarHBondContact O-N 2.63Å; L435-T439 PolarHBondContact O-OG1 2.91Å; L435-F462 HydrophobicContact CB-CD1 4.14Å; L435-F462 HydrophobicContact CB-CD2 4.07Å; L435-F462 HydrophobicContact CB-CE1 3.82Å; L435-F462 HydrophobicContact CB-CE2 3.75Å; L435-F462 HydrophobicContact CB-CG 4.28Å; L435-F462 HydrophobicContact CB-CZ 3.63Å; L435-F462 HydrophobicContact CD1-CD1 3.83Å; L435-F462 HydrophobicContact CD1-CE1 4Å; L435-F462 HydrophobicContact CD1-CG 4.35Å; L435-F462 HydrophobicContact CG-CE1 4.4Å
436	V	96.4	Very high	93.3	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.03	26%	0.262	C	S	.	.	H	α-helix	trans	-61.2	-49.2	174.3	173.5	0	0	0	0	110.2	I432 G438 T439 L440 E455 L458 F462	I432-V436 HydrophobicContact CG2-CG2 4.23Å; I432-V436 WeakPolarHBondContact O-CG2 2.98Å; I432-V436 PolarHBondContact O-N 3.41Å; V436-G438 PolarHBondContact O-N 3.09Å; V436-T439 WeakPolarHBondContact O-CA 3.16Å; V436-T439 WeakPolarHBondContact O-CB 3.23Å; V436-T439 PolarHBondContact O-N 2.74Å; V436-L440 HydrophobicContact CG1-CD1 4.47Å; V436-L440 WeakPolarHBondContact O-CG 3.31Å; V436-L440 PolarHBondContact O-N 3.32Å; V436-L440 VanDerWaalsContact O-N 3.13Å; V436-E455 HydrophobicContact CG1-CB 4.14Å; V436-E455 HydrophobicContact CG1-CG 4.14Å; V436-L458 HydrophobicContact CG1-CB 4.2Å; V436-L458 HydrophobicContact CG1-CD1 4.31Å; V436-L458 HydrophobicContact CG2-CB 4.01Å; V436-F462 HydrophobicContact CG2-CD2 3.71Å; V436-F462 HydrophobicContact CG2-CE2 3.94Å
437	K	93.1	Very high	93.2	Very high	160 Å²	160	53 Å²	53	70%	0.696	27%	0.272	S	S	*	.	H	α-helix	trans	-56.7	-37.2	178.6	-174.3	179.2	-179.9	-178.5	0	112.9	P433 A434 P441	P433-K437 WeakPolarHBondContact O-CB 3.44Å; P433-K437 PolarHBondContact O-N 2.94Å; A434-K437 PolarHBondContact O-N 3.41Å; K437-P441 WeakPolarHBondContact O-CD 3.44Å
438	G	91.1	Very high	93.1	Very high	13 Å²	13	52.8 Å²	52.8	13%	0.134	27%	0.271	C	S	.	.	H	α-helix	trans	-79	-17.2	176.4	0	0	0	0	0	114.6	A434 L435 V436 Q442	A434-G438 PolarHBondContact O-N 3.06Å; L435-G438 PolarHBondContact O-N 3.1Å; V436-G438 PolarHBondContact O-N 3.09Å; G438-Q442 WeakPolarHBondContact O-CG 3.21Å; G438-Q442 PolarHBondContact O-NE2 2.59Å
439	T	93.3	Very high	93.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-80.5	-38.4	176.3	-57	0	0	0	0	111.7	M334 P337 L435 V436 Q442 T446 L458 F462	M334-T439 HydrophobicContact CG-CG2 3.95Å; P337-T439 WeakPolarHBondContact CG-OG1 3.1Å; L435-T439 PolarHBondContact O-N 2.63Å; L435-T439 PolarHBondContact O-OG1 2.91Å; V436-T439 WeakPolarHBondContact O-CA 3.16Å; V436-T439 WeakPolarHBondContact O-CB 3.23Å; V436-T439 PolarHBondContact O-N 2.74Å; T439-Q442 VanDerWaalsContact O-CB 3.27Å; T439-Q442 WeakPolarHBondContact O-CB 3.28Å; T439-Q442 WeakPolarHBondContact O-CG 3.08Å; T439-Q442 PolarHBondContact O-N 3.2Å; T439-T446 HydrophobicContact CG2-CG2 4.18Å; T439-L458 HydrophobicContact CG2-CD1 3.89Å; T439-L458 HydrophobicContact CG2-CD2 4.13Å; T439-F462 WeakPolarHBondContact OG1-CZ 3.44Å
440	L	91.5	Very high	93.1	Very high	64 Å²	64	43 Å²	43	34%	0.335	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-41.7	-175.3	-66.3	167.2	0	0	0	114.6	V436 Q442 E455 L458	V436-L440 HydrophobicContact CG1-CD1 4.47Å; V436-L440 WeakPolarHBondContact O-CG 3.31Å; V436-L440 PolarHBondContact O-N 3.32Å; V436-L440 VanDerWaalsContact O-N 3.13Å; L440-Q442 PolarHBondContact O-N 3.17Å; L440-E455 HydrophobicContact CD1-CG 3.85Å; L440-E455 WeakPolarHBondContact CD1-OE1 3.23Å; L440-E455 HydrophobicContact CD2-CG 3.84Å; L440-E455 HydrophobicContact CG-CG 4.37Å; L440-L458 HydrophobicContact CD2-CD1 4.01Å
441	P	87.6	Confident	93	Very high	45 Å²	45	40.1 Å²	40.1	29%	0.292	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-10.4	178.7	-19.9	34.2	0	0	0	114.1	P169 K437 E443	P169-P441 HydrophobicContact CG-CB 4.48Å; K437-P441 WeakPolarHBondContact O-CD 3.44Å; P441-E443 PolarHBondContact O-N 3.41Å
442	Q	87.6	Confident	92.9	Very high	11 Å²	11	43.3 Å²	43.3	5%	0.051	24%	0.236	C	C	.	.			trans	-81	38.9	-175.2	-48.5	-54.5	-22.8	0	0	112.8	K210 Y336 G438 T439 L440 R444 V445 T446	K210-Q442 PolarHBondContact O-NE2 3.15Å; K210-Q442 PolarHBondContact O-OE1 3.4Å; Y336-Q442 VanDerWaalsContact CD2-CD 3.5Å; Y336-Q442 HydrophobicContact CD2-CG 3.96Å; Y336-Q442 VanDerWaalsContact CD2-OE1 3.26Å; G438-Q442 WeakPolarHBondContact O-CG 3.21Å; G438-Q442 PolarHBondContact O-NE2 2.59Å; T439-Q442 VanDerWaalsContact O-CB 3.27Å; T439-Q442 WeakPolarHBondContact O-CB 3.28Å; T439-Q442 WeakPolarHBondContact O-CG 3.08Å; T439-Q442 PolarHBondContact O-N 3.2Å; L440-Q442 PolarHBondContact O-N 3.17Å; Q442-R444 PolarHBondContact O-N 3.01Å; Q442-V445 HydrophobicContact CB-CG2 4.09Å; Q442-V445 VanDerWaalsContact O-CG2 3.3Å; Q442-V445 WeakPolarHBondContact O-CG2 3.39Å; Q442-V445 PolarHBondContact O-N 3.3Å; Q442-T446 HydrophobicContact CB-CG2 4.3Å; Q442-T446 PolarHBondContact O-N 2.74Å; Q442-T446 PolarHBondContact O-OG1 3.39Å
443	E	85.6	Confident	92.8	Very high	82 Å²	82	45.4 Å²	45.4	38%	0.383	25%	0.245	S	C	.	.	H	α-helix	trans	-55	-30	-173.3	-67.7	-161.3	134.1	0	0	113.6	P441 V445 T446 K447	P441-E443 PolarHBondContact O-N 3.41Å; E443-V445 PolarHBondContact O-N 2.78Å; E443-T446 WeakPolarHBondContact CA-OG1 3.5Å; E443-K447 HydrophobicContact CB-CD 4.02Å; E443-K447 HydrophobicContact CB-CG 4.36Å; E443-K447 VanDerWaalsContact CD-CE 3.45Å; E443-K447 WeakPolarHBondContact O-CB 3.3Å; E443-K447 WeakPolarHBondContact O-CG 3.47Å; E443-K447 PolarHBondContact O-N 2.88Å; E443-K447 VanDerWaalsContact O-N 3.17Å; E443-K447 WeakPolarHBondContact OE1-CE 3.38Å; E443-K447 IonicContact OE1-NZ 2.59Å; E443-K447 PolarHBondContact OE1-NZ 3.04Å; E443-K447 VanDerWaalsContact OE1-NZ 3.1Å; E443-K447 WeakPolarHBondContact OE2-CE 3.31Å; E443-K447 IonicContact OE2-NZ 3.22Å; E443-K447 PolarHBondContact OE2-NZ 2.79Å
444	R	84.9	Confident	92.7	Very high	53 Å²	53	44.3 Å²	44.3	20%	0.2	24%	0.237	C	C	.	.	H	α-helix	trans	-54.7	-38.4	178.3	-179.1	-176.4	64.4	88.7	3.2	112.4	N167 Y274 Y336 Q442	N167-R444 WeakPolarHBondContact ND2-CD 3.39Å; Y274-R444 PolarHBondContact OH-NH1 3.3Å; Y336-R444 PolarHBondContact OH-NH2 3.06Å; Q442-R444 PolarHBondContact O-N 3.01Å
445	V	89.9	Confident	92.8	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-102	-43.1	-178.9	-64.4	0	0	0	0	110.8	Y274 V328 H329 G333 Q442 E443 K447 L448	Y274-V445 HydrophobicContact CE2-CG1 4.26Å; V328-V445 HydrophobicContact CG2-CB 4.31Å; V328-V445 HydrophobicContact CG2-CG1 3.73Å; H329-V445 WeakPolarHBondContact CA-O 3.17Å; G333-V445 VanDerWaalsContact CA-CG2 3.43Å; Q442-V445 HydrophobicContact CB-CG2 4.09Å; Q442-V445 VanDerWaalsContact O-CG2 3.3Å; Q442-V445 WeakPolarHBondContact O-CG2 3.39Å; Q442-V445 PolarHBondContact O-N 3.3Å; E443-V445 PolarHBondContact O-N 2.78Å; V445-K447 VanDerWaalsContact C-N 3.28Å; V445-K447 PolarHBondContact O-N 2.69Å; V445-L448 WeakPolarHBondContact O-CB 3.36Å; V445-L448 PolarHBondContact O-N 2.99Å
446	T	92.6	Very high	92.9	Very high	7 Å²	7	53.3 Å²	53.3	4%	0.043	27%	0.271	C	S	.	.	H	α-helix	trans	-64.9	-30.2	-174.7	60.2	0	0	0	0	113	L330 T439 Q442 E443 L448 S449 H453	L330-T446 HydrophobicContact CD2-CG2 4.27Å; T439-T446 HydrophobicContact CG2-CG2 4.18Å; Q442-T446 HydrophobicContact CB-CG2 4.3Å; Q442-T446 PolarHBondContact O-N 2.74Å; Q442-T446 PolarHBondContact O-OG1 3.39Å; E443-T446 WeakPolarHBondContact CA-OG1 3.5Å; T446-L448 PolarHBondContact O-N 3.48Å; T446-S449 VanDerWaalsContact O-CB 3.23Å; T446-S449 WeakPolarHBondContact O-CB 3.3Å; T446-S449 PolarHBondContact O-N 3.44Å; T446-S449 VanDerWaalsContact O-N 3.1Å; T446-H453 PolarHBondContact O-CE1 3.04Å
447	K	92.2	Very high	93	Very high	126 Å²	126	53.9 Å²	53.9	55%	0.548	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.9	174.5	-72.2	177.1	172.8	167.3	0	114.1	E443 V445 S449	E443-K447 HydrophobicContact CB-CD 4.02Å; E443-K447 HydrophobicContact CB-CG 4.36Å; E443-K447 VanDerWaalsContact CD-CE 3.45Å; E443-K447 WeakPolarHBondContact O-CB 3.3Å; E443-K447 WeakPolarHBondContact O-CG 3.47Å; E443-K447 PolarHBondContact O-N 2.88Å; E443-K447 VanDerWaalsContact O-N 3.17Å; E443-K447 WeakPolarHBondContact OE1-CE 3.38Å; E443-K447 IonicContact OE1-NZ 2.59Å; E443-K447 PolarHBondContact OE1-NZ 3.04Å; E443-K447 VanDerWaalsContact OE1-NZ 3.1Å; E443-K447 WeakPolarHBondContact OE2-CE 3.31Å; E443-K447 IonicContact OE2-NZ 3.22Å; E443-K447 PolarHBondContact OE2-NZ 2.79Å; V445-K447 VanDerWaalsContact C-N 3.28Å; V445-K447 PolarHBondContact O-N 2.69Å; K447-S449 VanDerWaalsContact C-N 3.32Å
448	L	95	Very high	93.2	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.037	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-1	175.8	-61.9	172.6	0	0	0	112.7	L256 Y274 H329 V445 T446	L256-L448 WeakPolarHBondContact CB-O 3.36Å; L256-L448 PolarHBondContact N-O 3.02Å; Y274-L448 HydrophobicContact CD2-CD1 3.86Å; Y274-L448 HydrophobicContact CG-CD1 4.17Å; H329-L448 HydrophobicContact CB-CB 4.45Å; V445-L448 WeakPolarHBondContact O-CB 3.36Å; V445-L448 PolarHBondContact O-N 2.99Å; T446-L448 PolarHBondContact O-N 3.48Å
449	S	96.9	Very high	93.5	Very high	8 Å²	8	47.3 Å²	47.3	6%	0.056	25%	0.246	C	C	.	.			trans	-56.9	129.9	168.2	-178.3	0	0	0	0	109.4	T446 K447 R451	T446-S449 VanDerWaalsContact O-CB 3.23Å; T446-S449 WeakPolarHBondContact O-CB 3.3Å; T446-S449 PolarHBondContact O-N 3.44Å; T446-S449 VanDerWaalsContact O-N 3.1Å; K447-S449 VanDerWaalsContact C-N 3.32Å; S449-R451 VanDerWaalsContact CB-O 3.31Å; S449-R451 WeakPolarHBondContact CB-O 3.45Å; S449-R451 PolarHBondContact O-N 3.43Å; S449-R451 PolarHBondContact OG-N 2.96Å; S449-R451 PolarHBondContact OG-O 2.66Å
450	P	95.9	Very high	93.8	Very high	11 Å²	11	54 Å²	54	7%	0.071	27%	0.271	C	S	.	.	S	Bend	trans	-65.4	-18.4	175.3	32.4	-39.8	0	0	0	111.7	T254 T374 M377	T254-P450 WeakPolarHBondContact O-CB 3.42Å; T254-P450 WeakPolarHBondContact O-CG 3.45Å; T374-P450 HydrophobicContact CG2-CG 3.97Å; M377-P450 HydrophobicContact CB-CB 3.87Å; M377-P450 HydrophobicContact CB-CG 4.32Å; M377-P450 WeakPolarHBondContact CE-O 3.44Å; M377-P450 HydrophobicContact CG-CB 4.31Å; M377-P450 WeakPolarHBondContact CG-O 3.27Å
451	R	95.8	Very high	94.1	Very high	83 Å²	83	51.4 Å²	51.4	31%	0.313	26%	0.257	S	S	.	.	S	Bend	trans	-115.7	128.3	178.2	-169	175.2	169.2	175.4	-2.1	110.4	F373 M377 S449	F373-R451 HydrophobicContact CD1-CB 4.42Å; F373-R451 HydrophobicContact CD1-CG 4.5Å; F373-R451 HydrophobicContact CE1-CB 3.9Å; F373-R451 HydrophobicContact CE1-CG 3.8Å; F373-R451 VanDerWaalsContact CE2-NE 3.33Å; F373-R451 HydrophobicContact CZ-CB 4.44Å; F373-R451 HydrophobicContact CZ-CG 3.84Å; F373-R451 WeakPolarHBondContact O-CD 3.29Å; F373-R451 PolarHBondContact O-NH1 3.4Å; M377-R451 HydrophobicContact CG-CB 3.7Å; M377-R451 HydrophobicContact CG-CG 4.21Å; M377-R451 HydrophobicContact SD-CG 4.5Å; S449-R451 VanDerWaalsContact CB-O 3.31Å; S449-R451 WeakPolarHBondContact CB-O 3.45Å; S449-R451 PolarHBondContact O-N 3.43Å; S449-R451 PolarHBondContact OG-N 2.96Å; S449-R451 PolarHBondContact OG-O 2.66Å
452	A	94.4	Very high	94.6	Very high	90 Å²	90	49.2 Å²	49.2	74%	0.744	24%	0.243	S	C	*	.			trans	-61.6	147.9	169.4	0	0	0	0	0	110.5
453	H	95.7	Very high	95.2	Very high	51 Å²	51	53.9 Å²	53.9	24%	0.236	27%	0.265	C	S	.	.			trans	-137.5	143.6	-174.7	53.5	-80	0	0	0	110.3	F373 T446 D457	F373-H453 HydrophobicContact CE1-CB 4.22Å; F373-H453 HydrophobicContact CZ-CB 4.1Å; T446-H453 PolarHBondContact O-CE1 3.04Å; H453-D457 WeakPolarHBondContact CA-OD2 3.33Å; H453-D457 HydrophobicContact CB-CB 4.09Å
454	T	96.6	Very high	95.7	Very high	66 Å²	66	53.6 Å²	53.6	41%	0.405	27%	0.269	S	S	.	.			trans	-100.3	174.9	169.9	74.1	0	0	0	0	111.5	E456 D457 L458	T454-E456 WeakPolarHBondContact CB-OE2 3.4Å; T454-E456 PolarHBondContact O-N 3.24Å; T454-E456 PolarHBondContact OG1-N 3.02Å; T454-E456 PolarHBondContact OG1-OE2 2.84Å; T454-D457 PolarHBondContact N-OD2 3.45Å; T454-D457 WeakPolarHBondContact O-CB 3.29Å; T454-D457 PolarHBondContact O-N 3.26Å; T454-D457 PolarHBondContact OG1-N 2.97Å; T454-L458 WeakPolarHBondContact O-CG 3.5Å; T454-L458 PolarHBondContact O-N 2.88Å
455	E	96.6	Very high	96.4	Very high	111 Å²	111	51.1 Å²	51.1	52%	0.519	26%	0.26	S	S	.	.	H	α-helix	trans	-60.2	-35.2	170.9	-72.8	-176.7	-155.6	0	0	112.1	V436 L440 L458 S459	V436-E455 HydrophobicContact CG1-CB 4.14Å; V436-E455 HydrophobicContact CG1-CG 4.14Å; L440-E455 HydrophobicContact CD1-CG 3.85Å; L440-E455 WeakPolarHBondContact CD1-OE1 3.23Å; L440-E455 HydrophobicContact CD2-CG 3.84Å; L440-E455 HydrophobicContact CG-CG 4.37Å; E455-L458 PolarHBondContact O-N 3.07Å; E455-S459 WeakPolarHBondContact O-CB 3.19Å; E455-S459 PolarHBondContact O-N 2.74Å; E455-S459 PolarHBondContact O-OG 3.27Å
456	E	97.6	Very high	96.8	Very high	125 Å²	125	52.6 Å²	52.6	58%	0.584	27%	0.267	S	S	*	.	H	α-helix	trans	-68.6	-36.4	174.9	-58	81.1	-175.1	0	0	111.9	T454 S459 R460	T454-E456 WeakPolarHBondContact CB-OE2 3.4Å; T454-E456 PolarHBondContact O-N 3.24Å; T454-E456 PolarHBondContact OG1-N 3.02Å; T454-E456 PolarHBondContact OG1-OE2 2.84Å; E456-S459 PolarHBondContact O-N 2.86Å; E456-R460 WeakPolarHBondContact O-CG 3.41Å; E456-R460 PolarHBondContact O-N 2.74Å
457	D	98.1	Very high	97	Very high	18 Å²	18	58.7 Å²	58.7	10%	0.096	29%	0.293	C	S	.	.	H	α-helix	trans	-62.2	-47.6	172.7	-69.3	-38.3	0	0	0	111	F373 H453 T454 S459 R460 L461	F373-D457 HydrophobicContact CE2-CB 4.04Å; F373-D457 HydrophobicContact CZ-CB 4.07Å; H453-D457 WeakPolarHBondContact CA-OD2 3.33Å; H453-D457 HydrophobicContact CB-CB 4.09Å; T454-D457 PolarHBondContact N-OD2 3.45Å; T454-D457 WeakPolarHBondContact O-CB 3.29Å; T454-D457 PolarHBondContact O-N 3.26Å; T454-D457 PolarHBondContact OG1-N 2.97Å; D457-S459 PolarHBondContact O-N 3.29Å; D457-R460 PolarHBondContact O-N 3.14Å; D457-R460 IonicContact OD1-CZ 3.75Å; D457-R460 IonicContact OD1-NH2 2.84Å; D457-R460 PolarHBondContact OD1-NH2 3.4Å; D457-L461 VanDerWaalsContact O-CG 3.31Å; D457-L461 WeakPolarHBondContact O-CG 3.17Å; D457-L461 PolarHBondContact O-N 2.68Å
458	L	98.2	Very high	97.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-42.9	177.9	-65.6	177.8	0	0	0	111.7	L330 M334 V436 T439 L440 T454 E455 R460 L461 F462	L330-L458 HydrophobicContact CD2-CD2 4.32Å; M334-L458 HydrophobicContact CG-CD2 4.42Å; M334-L458 HydrophobicContact SD-CD2 4.4Å; V436-L458 HydrophobicContact CG1-CB 4.2Å; V436-L458 HydrophobicContact CG1-CD1 4.31Å; V436-L458 HydrophobicContact CG2-CB 4.01Å; T439-L458 HydrophobicContact CG2-CD1 3.89Å; T439-L458 HydrophobicContact CG2-CD2 4.13Å; L440-L458 HydrophobicContact CD2-CD1 4.01Å; T454-L458 WeakPolarHBondContact O-CG 3.5Å; T454-L458 PolarHBondContact O-N 2.88Å; E455-L458 PolarHBondContact O-N 3.07Å; L458-R460 PolarHBondContact O-N 3.39Å; L458-L461 HydrophobicContact CD2-CD1 4.41Å; L458-L461 PolarHBondContact O-N 3.31Å; L458-F462 WeakPolarHBondContact O-CD2 3.24Å; L458-F462 PolarHBondContact O-N 3.31Å
459	S	98.3	Very high	97	Very high	34 Å²	34	57.5 Å²	57.5	24%	0.238	29%	0.286	C	S	.	.	H	α-helix	trans	-55.6	-49.9	174.6	-64	0	0	0	0	111.2	E455 E456 D457 L461 F462 E463	E455-S459 WeakPolarHBondContact O-CB 3.19Å; E455-S459 PolarHBondContact O-N 2.74Å; E455-S459 PolarHBondContact O-OG 3.27Å; E456-S459 PolarHBondContact O-N 2.86Å; D457-S459 PolarHBondContact O-N 3.29Å; S459-L461 VanDerWaalsContact C-N 3.31Å; S459-L461 PolarHBondContact O-N 2.98Å; S459-F462 PolarHBondContact O-N 2.95Å; S459-E463 WeakPolarHBondContact O-CG 3.23Å; S459-E463 PolarHBondContact O-N 3.28Å
460	R	98.4	Very high	97	Very high	141 Å²	141	60 Å²	60	53%	0.532	30%	0.298	S	S	.	.	H	α-helix	trans	-62.5	-36.3	178.4	-72.8	-173.1	-65.9	-177.7	-2.2	112.9	E456 D457 L458 E463 T464	E456-R460 WeakPolarHBondContact O-CG 3.41Å; E456-R460 PolarHBondContact O-N 2.74Å; D457-R460 PolarHBondContact O-N 3.14Å; D457-R460 IonicContact OD1-CZ 3.75Å; D457-R460 IonicContact OD1-NH2 2.84Å; D457-R460 PolarHBondContact OD1-NH2 3.4Å; L458-R460 PolarHBondContact O-N 3.39Å; R460-E463 PolarHBondContact O-N 2.65Å; R460-T464 WeakPolarHBondContact O-CB 3.43Å; R460-T464 PolarHBondContact O-N 3.42Å; R460-T464 PolarHBondContact O-OG1 3.35Å
461	L	98.6	Very high	97.1	Very high	9 Å²	9	62.6 Å²	62.6	5%	0.047	31%	0.309	C	S	.	.	H	α-helix	trans	-64.7	-43.9	175.5	-70.5	172.3	0	0	0	111.4	L330 M334 A369 V370 F373 D457 L458 S459 T464 S465	L330-L461 HydrophobicContact CD1-CD1 4.25Å; M334-L461 HydrophobicContact CE-CB 3.56Å; M334-L461 HydrophobicContact SD-CB 4.04Å; M334-L461 HydrophobicContact SD-CD1 4.01Å; A369-L461 HydrophobicContact CB-CD2 3.92Å; A369-L461 WeakPolarHBondContact O-CD2 3.24Å; V370-L461 HydrophobicContact CG2-CD1 4.41Å; F373-L461 HydrophobicContact CB-CD2 3.79Å; F373-L461 HydrophobicContact CD1-CD1 4.4Å; F373-L461 HydrophobicContact CG-CD2 4.29Å; D457-L461 VanDerWaalsContact O-CG 3.31Å; D457-L461 WeakPolarHBondContact O-CG 3.17Å; D457-L461 PolarHBondContact O-N 2.68Å; L458-L461 HydrophobicContact CD2-CD1 4.41Å; L458-L461 PolarHBondContact O-N 3.31Å; S459-L461 VanDerWaalsContact C-N 3.31Å; S459-L461 PolarHBondContact O-N 2.98Å; L461-T464 PolarHBondContact O-N 3.1Å; L461-S465 WeakPolarHBondContact O-CB 3.39Å; L461-S465 PolarHBondContact O-N 2.96Å; L461-S465 PolarHBondContact O-OG 2.98Å
462	F	98.6	Very high	97.1	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-45.8	173.8	-76.6	-63	0	0	0	111.9	M334 P337 I338 L422 I432 L435 V436 T439 L458 S459 T464 S465 M466	M334-F462 HydrophobicContact CB-CE1 4.05Å; M334-F462 HydrophobicContact CB-CZ 3.81Å; M334-F462 HydrophobicContact CE-CD1 3.57Å; M334-F462 HydrophobicContact CE-CD2 3.7Å; M334-F462 HydrophobicContact CE-CE1 3.51Å; M334-F462 HydrophobicContact CE-CE2 3.64Å; M334-F462 HydrophobicContact CE-CG 3.66Å; M334-F462 HydrophobicContact CE-CZ 3.53Å; M334-F462 HydrophobicContact CG-CE1 4.47Å; M334-F462 HydrophobicContact CG-CE2 4.38Å; M334-F462 HydrophobicContact CG-CZ 3.93Å; P337-F462 HydrophobicContact CG-CZ 4.48Å; I338-F462 HydrophobicContact CD1-CE1 3.91Å; I338-F462 HydrophobicContact CG1-CE1 3.97Å; L422-F462 HydrophobicContact CD1-CD1 3.77Å; I432-F462 HydrophobicContact CD1-CB 4.42Å; I432-F462 HydrophobicContact CG1-CB 4.17Å; I432-F462 HydrophobicContact CG2-CB 3.96Å; L435-F462 HydrophobicContact CB-CD1 4.14Å; L435-F462 HydrophobicContact CB-CD2 4.07Å; L435-F462 HydrophobicContact CB-CE1 3.82Å; L435-F462 HydrophobicContact CB-CE2 3.75Å; L435-F462 HydrophobicContact CB-CG 4.28Å; L435-F462 HydrophobicContact CB-CZ 3.63Å; L435-F462 HydrophobicContact CD1-CD1 3.83Å; L435-F462 HydrophobicContact CD1-CE1 4Å; L435-F462 HydrophobicContact CD1-CG 4.35Å; L435-F462 HydrophobicContact CG-CE1 4.4Å; V436-F462 HydrophobicContact CG2-CD2 3.71Å; V436-F462 HydrophobicContact CG2-CE2 3.94Å; T439-F462 WeakPolarHBondContact OG1-CZ 3.44Å; L458-F462 WeakPolarHBondContact O-CD2 3.24Å; L458-F462 PolarHBondContact O-N 3.31Å; S459-F462 PolarHBondContact O-N 2.95Å; F462-T464 VanDerWaalsContact C-N 3.31Å; F462-T464 PolarHBondContact O-N 3.25Å; F462-S465 CarbonylContact O-C 3.41Å; F462-S465 WeakPolarHBondContact O-CA 3.3Å; F462-S465 PolarHBondContact O-N 3.08Å; F462-M466 PolarHBondContact O-N 3.32Å; F462-M466 VanDerWaalsContact O-N 3.13Å
463	E	98.3	Very high	97.3	Very high	108 Å²	108	59.8 Å²	59.8	51%	0.505	28%	0.284	S	S	.	.	H	α-helix	trans	-56	-45.9	176.5	-73.9	177.6	174.7	0	0	111.9	I432 S459 R460 S465 M466	I432-E463 HydrophobicContact CD1-CB 4.29Å; I432-E463 HydrophobicContact CD1-CG 3.44Å; I432-E463 VanDerWaalsContact CD1-CG 3.44Å; S459-E463 WeakPolarHBondContact O-CG 3.23Å; S459-E463 PolarHBondContact O-N 3.28Å; R460-E463 PolarHBondContact O-N 2.65Å; E463-S465 PolarHBondContact O-N 2.95Å; E463-M466 WeakPolarHBondContact O-CB 3.48Å; E463-M466 WeakPolarHBondContact O-CG 3.43Å; E463-M466 PolarHBondContact O-N 3.02Å
464	T	97.9	Very high	97.4	Very high	77 Å²	77	60.3 Å²	60.3	47%	0.472	29%	0.287	S	S	.	.	H	α-helix	trans	-67.4	-25.2	178.3	-53.7	0	0	0	0	112	A369 R460 L461 F462	A369-T464 HydrophobicContact CB-CG2 3.95Å; R460-T464 WeakPolarHBondContact O-CB 3.43Å; R460-T464 PolarHBondContact O-N 3.42Å; R460-T464 PolarHBondContact O-OG1 3.35Å; L461-T464 PolarHBondContact O-N 3.1Å; F462-T464 VanDerWaalsContact C-N 3.31Å; F462-T464 PolarHBondContact O-N 3.25Å
465	S	98.2	Very high	97.5	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.007	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-1.2	179.4	-52.6	0	0	0	0	113.1	G421 L422 L461 F462 E463 K467	G421-S465 WeakPolarHBondContact CA-O 3.36Å; L422-S465 PolarHBondContact N-O 3.03Å; L461-S465 WeakPolarHBondContact O-CB 3.39Å; L461-S465 PolarHBondContact O-N 2.96Å; L461-S465 PolarHBondContact O-OG 2.98Å; F462-S465 CarbonylContact O-C 3.41Å; F462-S465 WeakPolarHBondContact O-CA 3.3Å; F462-S465 PolarHBondContact O-N 3.08Å; E463-S465 PolarHBondContact O-N 2.95Å; S465-K467 PolarHBondContact O-N 2.95Å
466	M	97.9	Very high	97.5	Very high	32 Å²	32	56.3 Å²	56.3	16%	0.158	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-29.2	176.2	-69.8	-57	-60.2	0	0	112.6	L422 G423 Y427 F462 E463	L422-M466 HydrophobicContact CB-CE 4.49Å; L422-M466 HydrophobicContact CB-SD 3.82Å; L422-M466 HydrophobicContact CD1-SD 4.32Å; G423-M466 PolarHBondContact N-O 3.46Å; G423-M466 VanDerWaalsContact N-O 3.12Å; Y427-M466 WeakPolarHBondContact O-CE 3.32Å; F462-M466 PolarHBondContact O-N 3.32Å; F462-M466 VanDerWaalsContact O-N 3.13Å; E463-M466 WeakPolarHBondContact O-CB 3.48Å; E463-M466 WeakPolarHBondContact O-CG 3.43Å; E463-M466 PolarHBondContact O-N 3.02Å
467	K	97.2	Very high	97.5	Very high	134 Å²	134	51 Å²	51	58%	0.583	24%	0.237	S	C	*	.			trans	-141.7	134.9	177	-163.2	-179.6	-168.5	-122.6	0	109.9	D420 S465 Y469	D420-K467 WeakPolarHBondContact OD2-CE 3.48Å; D420-K467 WeakPolarHBondContact OD2-CG 3.38Å; S465-K467 PolarHBondContact O-N 2.95Å; K467-Y469 WeakPolarHBondContact CE-O 3.32Å; K467-Y469 PolarHBondContact NZ-O 3.45Å
468	L	94.8	Very high	97.5	Very high	11 Å²	11	53.8 Å²	53.8	6%	0.058	25%	0.249	C	C	.	.			trans	-100.9	-34	-178	-72.5	179.1	0	0	0	113.4	L365 P368 R410 L413 D420	L365-L468 HydrophobicContact CD2-CD1 3.88Å; P368-L468 HydrophobicContact CG-CD2 4.01Å; R410-L468 VanDerWaalsContact CD-O 3.25Å; R410-L468 WeakPolarHBondContact CD-O 3.36Å; R410-L468 PolarHBondContact NE-O 2.5Å; L413-L468 HydrophobicContact CD1-CD1 3.98Å; D420-L468 WeakPolarHBondContact OD1-CA 3.46Å; D420-L468 PolarHBondContact OD1-N 3.25Å
469	Y	93.4	Very high	97.4	Very high	98 Å²	98	58.6 Å²	58.6	38%	0.384	27%	0.271	S	S	.	.			trans	-115.2	0	-171.5	-46.7	-56.5	0	0	0	114.6	R410 L413 F414 D420 K467	R410-Y469 HydrophobicContact CB-CD1 4.49Å; R410-Y469 HydrophobicContact CB-CE1 4.3Å; R410-Y469 VanDerWaalsContact O-CE1 3.28Å; R410-Y469 WeakPolarHBondContact O-CE1 3.42Å; L413-Y469 HydrophobicContact CB-CE1 4.5Å; L413-Y469 WeakPolarHBondContact CB-OH 3.48Å; L413-Y469 PolarHBondContact O-OH 3.42Å; F414-Y469 WeakPolarHBondContact CA-OH 3.37Å; F414-Y469 HydrophobicContact CB-CD1 4.19Å; F414-Y469 HydrophobicContact CB-CE1 3.66Å; F414-Y469 HydrophobicContact CD2-CD1 4.14Å; F414-Y469 HydrophobicContact CD2-CD2 4.16Å; F414-Y469 HydrophobicContact CD2-CE1 4.26Å; F414-Y469 HydrophobicContact CD2-CE2 4.26Å; F414-Y469 HydrophobicContact CD2-CG 4.1Å; F414-Y469 HydrophobicContact CG-CE1 4.47Å; F414-Y469 PolarHBondContact N-OH 3.01Å; D420-Y469 HydrophobicContact CB-CD2 3.87Å; D420-Y469 HydrophobicContact CB-CE2 4.26Å; D420-Y469 WeakPolarHBondContact OD1-CD2 3.35Å; D420-Y469 PolarHBondContact OD1-N 3.46Å; K467-Y469 WeakPolarHBondContact CE-O 3.32Å; K467-Y469 PolarHBondContact NZ-O 3.45Å

Retrieved 469 of 469 residues in 1027.3 ms (Link to these results)

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